A0A077ZF66_TRITR Loading...

RBR-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A077ZF66, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 525 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.5	Very low	37.2	Very low	244 Å²	244	141.5 Å²	141.5	100%	1.202	86%	0.862	S	S	*	*				0	133.9	0	-76.1	177.8	176	0	0	107.1
2	N	35.9	Very low	36.6	Very low	167 Å²	167	138.3 Å²	138.3	89%	0.893	85%	0.851	S	S	*	*			trans	71.7	92.7	-159.3	-81.5	10.3	0	0	0	117.2
3	F	36.3	Very low	36.6	Very low	211 Å²	211	141 Å²	141	93%	0.925	86%	0.855	S	S	*	*			trans	-52.6	156.8	155.5	-63.7	-99.5	0	0	0	111.1
4	G	33.2	Very low	36.2	Very low	79 Å²	79	137.1 Å²	137.1	81%	0.814	85%	0.846	S	S	*	*			cis	168.1	165.6	9.6	0	0	0	0	0	108.1
5	G	32.8	Very low	36.1	Very low	83 Å²	83	139.3 Å²	139.3	86%	0.856	85%	0.849	S	S	*	*			trans	136.8	95.6	168	0	0	0	0	0	115.1
6	T	38.1	Very low	35.7	Very low	139 Å²	139	142.4 Å²	142.4	85%	0.853	85%	0.852	S	S	*	*			trans	-72.9	156.5	176.4	37.2	0	0	0	0	114.7
7	P	48.5	Very low	35.8	Very low	116 Å²	116	141.2 Å²	141.2	75%	0.753	85%	0.851	S	S	*	*			trans	-101.8	-149.6	170.7	44.6	-34.9	0	0	0	110.2
8	P	47.9	Very low	35.5	Very low	110 Å²	110	138.6 Å²	138.6	71%	0.714	84%	0.841	S	S	*	*			cis	-134.4	-175.3	-26	37.4	-18.2	0	0	0	113.8
9	T	35.2	Very low	35.4	Very low	136 Å²	136	137.7 Å²	137.7	83%	0.834	83%	0.831	S	S	*	*			trans	-176.2	115	145.8	43.9	0	0	0	0	108.8
10	D	28.9	Very low	35.1	Very low	154 Å²	154	138.9 Å²	138.9	82%	0.824	83%	0.827	S	S	*	*				69.5	111.2	81.8	-152.3	14.8	0	0	0	115.1
11	S	35.1	Very low	34.8	Very low	117 Å²	117	139 Å²	139	82%	0.818	82%	0.823	S	S	*	*			trans	-163.3	97.8	152.3	71.9	0	0	0	0	110.7
12	S	29.3	Very low	34.8	Very low	103 Å²	103	135.6 Å²	135.6	72%	0.72	81%	0.81	S	S	*	*			trans	-63.3	132.3	154.4	53.6	0	0	0	0	111.2
13	L	36.6	Very low	34.4	Very low	174 Å²	174	131 Å²	131	91%	0.911	80%	0.803	S	S	*	*			trans	-142.6	119.5	149.4	-84.9	174.7	0	0	0	108.9
14	A	31.4	Very low	34.3	Very low	87 Å²	87	130.1 Å²	130.1	72%	0.719	80%	0.801	S	S	*	*			trans	-73.3	146.4	161.2	0	0	0	0	0	108.9
15	D	34.7	Very low	34	Very low	169 Å²	169	135 Å²	135	90%	0.904	81%	0.808	S	S	*	*			trans	-143.8	118.6	148.5	-115.4	-19	0	0	0	108.7
16	E	29.3	Very low	33.9	Very low	190 Å²	190	134.3 Å²	134.3	89%	0.888	80%	0.801	S	S	*	*			trans	-84.3	132.7	165.3	-66.9	178.2	140	0	0	107.8
17	S	37.2	Very low	33.5	Very low	121 Å²	121	132.7 Å²	132.7	85%	0.846	80%	0.795	S	S	*	*			trans	-156.8	127.2	145.2	62.3	0	0	0	0	110.9
18	S	30.8	Very low	32.7	Very low	94 Å²	94	136.2 Å²	136.2	66%	0.657	80%	0.802	S	S	*	*			trans	-74.1	174.1	174.6	51	0	0	0	0	113.3
19	D	33	Very low	31.9	Very low	123 Å²	123	137.7 Å²	137.7	66%	0.658	80%	0.804	S	S	*	*			trans	80.9	137.7	160.7	-54.4	-56.3	0	0	0	115.5
20	Q	31	Very low	31.6	Very low	160 Å²	160	139.9 Å²	139.9	75%	0.748	80%	0.804	S	S	*	*			cis	-174.5	142	2.5	-114.5	159.2	30.9	0	0	105.3
21	D	29	Very low	31.8	Very low	141 Å²	141	139.6 Å²	139.6	75%	0.754	80%	0.801	S	S	*	*			trans	67.9	103.6	134.3	-150.5	23.7	0	0	0	118.3
22	D	35.7	Very low	31.4	Very low	173 Å²	173	141 Å²	141	93%	0.925	80%	0.8	S	S	*	*			trans	-148.8	94	147.3	-89.1	-36.7	0	0	0	107.4
23	G	28.4	Very low	31.7	Very low	71 Å²	71	143.5 Å²	143.5	73%	0.732	80%	0.803	S	S	*	*			trans	-76	120.9	161.3	0	0	0	0	0	109.5
24	E	34.2	Very low	31.4	Very low	193 Å²	193	143.5 Å²	143.5	90%	0.902	80%	0.799	S	S	*	*			trans	-127.8	112.4	162.1	-131.5	177.1	-170.6	0	0	109.7	G26	E24-G26 PolarHBondContact O-N 3.1Å
25	L	27.2	Very low	31.4	Very low	180 Å²	180	146.5 Å²	146.5	94%	0.942	80%	0.803	S	S	*	*			trans	-67.5	108.4	175.6	-73.1	152.4	0	0	0	108.9
26	G	31.4	Very low	31.3	Very low	70 Å²	70	145.6 Å²	145.6	72%	0.722	80%	0.798	S	S	*	*			trans	-98.4	104	163.9	0	0	0	0	0	109.3	E24 E28	E24-G26 PolarHBondContact O-N 3.1Å; G26-E28 PolarHBondContact O-N 2.79Å
27	S	28.6	Very low	31.2	Very low	104 Å²	104	139.8 Å²	139.8	73%	0.727	79%	0.788	S	S	*	*			trans	-59	114.6	170.3	48	0	0	0	0	110.7
28	E	32.5	Very low	31.1	Very low	190 Å²	190	141.4 Å²	141.4	89%	0.888	79%	0.786	S	S	*	*			trans	-87.6	103.3	162	-68	-172.8	164.3	0	0	107.3	G26 E30	G26-E28 PolarHBondContact O-N 2.79Å; E28-E30 PolarHBondContact O-N 2.63Å
29	D	31.2	Very low	31.1	Very low	142 Å²	142	144.9 Å²	144.9	76%	0.759	80%	0.797	S	S	*	*			trans	-63.8	111.6	171.8	-71	-43	0	0	0	109.2	I31	D29-I31 PolarHBondContact O-N 3.43Å
30	E	28.5	Very low	30.9	Very low	182 Å²	182	146.8 Å²	146.8	85%	0.85	81%	0.806	S	S	*	*			trans	-61.1	112.8	164.2	-75.1	179.3	151.3	0	0	108.7	E28 D32	E28-E30 PolarHBondContact O-N 2.63Å; E30-D32 PolarHBondContact O-N 3.45Å
31	I	32.8	Very low	30.9	Very low	148 Å²	148	146.5 Å²	146.5	76%	0.759	81%	0.809	S	S	*	*			trans	-88.9	99.6	168.2	-59.3	174.3	0	0	0	106.8	D29 I33	D29-I31 PolarHBondContact O-N 3.43Å; I31-I33 HydrophobicContact CG2-CG1 4.45Å; I31-I33 PolarHBondContact O-N 3.41Å
32	D	27.6	Very low	30.9	Very low	146 Å²	146	144.4 Å²	144.4	78%	0.781	81%	0.806	S	S	*	*			trans	-61.3	116	165.4	-81.1	-35.3	0	0	0	109.4	E30	E30-D32 PolarHBondContact O-N 3.45Å
33	I	35.1	Very low	30.8	Very low	155 Å²	155	141.5 Å²	141.5	80%	0.795	80%	0.799	S	S	*	*			trans	-98.4	105.8	166.1	-61.3	176	0	0	0	105.9	I31 D35	I31-I33 HydrophobicContact CG2-CG1 4.45Å; I31-I33 PolarHBondContact O-N 3.41Å; I33-D35 PolarHBondContact O-N 3.41Å
34	E	30.8	Very low	30.8	Very low	175 Å²	175	146.5 Å²	146.5	82%	0.818	81%	0.808	S	S	*	*			trans	-63.3	123.5	172.1	-68.5	-179.7	160.9	0	0	109.9
35	D	31	Very low	30.7	Very low	150 Å²	150	141 Å²	141	80%	0.802	80%	0.803	S	S	*	*			trans	-88.4	97.7	177.2	178.2	33.2	0	0	0	108.9	I33 G37	I33-D35 PolarHBondContact O-N 3.41Å; D35-G37 PolarHBondContact O-N 2.88Å
36	D	31.6	Very low	30.7	Very low	150 Å²	150	139.4 Å²	139.4	80%	0.802	80%	0.801	S	S	*	*			trans	-88.5	96.7	168.7	-88.8	-24.9	0	0	0	109.5
37	G	27.7	Very low	30.5	Very low	67 Å²	67	141 Å²	141	69%	0.691	80%	0.801	S	S	*	*			trans	-65.6	133	171.3	0	0	0	0	0	112.3	D35	D35-G37 PolarHBondContact O-N 2.88Å
38	I	34.6	Very low	30.5	Very low	156 Å²	156	143 Å²	143	80%	0.8	80%	0.804	S	S	*	*			trans	-123.5	124.1	166.2	-66.5	177	0	0	0	108.4
39	D	31.1	Very low	30.3	Very low	166 Å²	166	145.8 Å²	145.8	89%	0.888	81%	0.808	S	S	*	*			trans	-55.9	133.1	-176.8	-80.2	-50	0	0	0	113.9
40	I	30.2	Very low	30.2	Very low	164 Å²	164	147 Å²	147	84%	0.841	81%	0.809	S	S	*	*			trans	-95.3	108.2	167.7	-64.1	171.2	0	0	0	107.9
41	D	30.7	Very low	30.2	Very low	153 Å²	153	143.6 Å²	143.6	82%	0.818	80%	0.804	S	S	*	*			trans	-85.8	127.8	163.7	-171.9	15.5	0	0	0	110
42	S	29	Very low	30.1	Very low	97 Å²	97	141.7 Å²	141.7	68%	0.678	80%	0.801	S	S	*	*			trans	-101	115.5	-175.6	-169.3	0	0	0	0	108.9
43	S	32	Very low	30.4	Very low	112 Å²	112	142.2 Å²	142.2	78%	0.783	80%	0.804	S	S	*	*			trans	-136.2	117.3	160.9	58.8	0	0	0	0	112
44	L	28.6	Very low	30.9	Very low	177 Å²	177	142.9 Å²	142.9	93%	0.927	80%	0.804	S	S	*	*			trans	-69.2	132.2	177.9	-75.3	150.8	0	0	0	111.4
45	G	32.9	Very low	32.1	Very low	76 Å²	76	143.8 Å²	143.8	78%	0.784	81%	0.808	S	S	*	*			trans	-152.8	112.6	168.7	0	0	0	0	0	111.2
46	T	27.8	Very low	33.9	Very low	147 Å²	147	144.7 Å²	144.7	90%	0.902	81%	0.807	S	S	*	*			trans	-81	121.8	-178.2	-12.6	0	0	0	0	110.7
47	S	27	Very low	36.5	Very low	104 Å²	104	140.1 Å²	140.1	73%	0.727	78%	0.779	S	S	*	*			trans	178.7	133.8	143.1	59.2	0	0	0	0	113.5
48	N	27.2	Very low	39.6	Very low	147 Å²	147	143.5 Å²	143.5	79%	0.786	78%	0.777	S	S	*	*			trans	62.9	93.2	157.8	-63.6	-8.8	0	0	0	118.3	E50	N48-E50 PolarHBondContact O-N 2.63Å
49	Y	30.1	Very low	42.5	Very low	247 Å²	247	140.1 Å²	140.1	97%	0.969	76%	0.755	S	S	*	*			trans	-68.9	72.8	163.8	-68.8	-86.1	0	0	0	111.3
50	E	27.7	Very low	45.6	Very low	169 Å²	169	136.8 Å²	136.8	79%	0.79	73%	0.734	S	S	*	*			trans	-96.9	117.6	145.9	-74.4	-179.9	161.6	0	0	105.4	N48 P52	N48-E50 PolarHBondContact O-N 2.63Å; E50-P52 VanDerWaalsContact O-CD 3.26Å; E50-P52 WeakPolarHBondContact O-CD 3.02Å
51	C	29.7	Very low	48.8	Very low	109 Å²	109	130 Å²	130	74%	0.736	70%	0.7	S	S	*	*			trans	-50.3	112.8	174.1	-172.2	0	0	0	0	107.4	D53	C51-D53 PolarHBondContact O-N 3.42Å
52	P	30.1	Very low	51.9	Low	109 Å²	109	123.7 Å²	123.7	71%	0.708	67%	0.666	S	S	*	*			trans	-57.4	132	-179.2	-18.5	29.7	0	0	0	107.2	E50 E54	E50-P52 VanDerWaalsContact O-CD 3.26Å; E50-P52 WeakPolarHBondContact O-CD 3.02Å; P52-E54 PolarHBondContact O-N 3.13Å
53	D	33.9	Very low	55.1	Low	157 Å²	157	121.3 Å²	121.3	84%	0.84	65%	0.647	S	S	*	*			trans	-43.7	111.6	164.8	-83.8	-51.8	0	0	0	107.2	C51 E55	C51-D53 PolarHBondContact O-N 3.42Å; D53-E55 PolarHBondContact O-N 3.31Å
54	E	46.4	Very low	57.8	Low	169 Å²	169	118.4 Å²	118.4	79%	0.79	62%	0.623	S	S	*	*			trans	-45.8	118.6	174.5	-70.4	177.8	168.6	0	0	106.5	P52 Q56	P52-E54 PolarHBondContact O-N 3.13Å; E54-Q56 VanDerWaalsContact C-N 3.27Å; E54-Q56 WeakPolarHBondContact O-CA 3.45Å; E54-Q56 PolarHBondContact O-N 3.37Å
55	E	54.4	Low	60.8	Low	194 Å²	194	117.4 Å²	117.4	91%	0.907	61%	0.614	S	S	*	*			trans	-49.1	101.7	168.5	-75.3	-178.7	155.2	0	0	106.4	D53 Y57	D53-E55 PolarHBondContact O-N 3.31Å; E55-Y57 PolarHBondContact O-N 3.35Å
56	Q	69.5	Low	63.8	Low	169 Å²	169	116.8 Å²	116.8	79%	0.79	60%	0.597	S	S	*	*			trans	-60.3	111.6	-163.1	-77	176.8	3.4	0	0	107.5	E54 Q58	E54-Q56 VanDerWaalsContact C-N 3.27Å; E54-Q56 WeakPolarHBondContact O-CA 3.45Å; E54-Q56 PolarHBondContact O-N 3.37Å; Q56-Q58 WeakPolarHBondContact O-CG 3.18Å; Q56-Q58 PolarHBondContact O-N 2.74Å
57	Y	87	Confident	66.9	Low	54 Å²	54	109.8 Å²	109.8	21%	0.212	55%	0.554	C	S	.	*			trans	-51.6	104.8	179.6	178.9	-111.1	0	0	0	109.1	E55 Y59 V256 Q258 D260 K262 V264	E55-Y57 PolarHBondContact O-N 3.35Å; Y57-Y59 HydrophobicContact CD1-CD1 4.28Å; Y57-Y59 WeakPolarHBondContact O-CD1 3.24Å; Y57-Y59 PolarHBondContact O-N 2.82Å; Y57-V256 HydrophobicContact CE1-CG1 3.86Å; Y57-V256 WeakPolarHBondContact OH-CG1 3.17Å; Y57-Q258 PolarHBondContact OH-O 3.45Å; Y57-D260 HydrophobicContact CE2-CB 3.94Å; Y57-D260 PolarHBondContact OH-N 2.83Å; Y57-K262 HydrophobicContact CD1-CB 3.44Å; Y57-K262 VanDerWaalsContact CD1-CB 3.44Å; Y57-K262 HydrophobicContact CD1-CG 4.16Å; Y57-K262 HydrophobicContact CD2-CB 4.02Å; Y57-K262 HydrophobicContact CD2-CG 3.8Å; Y57-K262 HydrophobicContact CE1-CB 3.6Å; Y57-K262 HydrophobicContact CE1-CG 4.4Å; Y57-K262 HydrophobicContact CE2-CB 4.16Å; Y57-K262 HydrophobicContact CE2-CG 4.05Å; Y57-K262 HydrophobicContact CG-CB 3.64Å; Y57-K262 HydrophobicContact CG-CG 3.83Å; Y57-V264 HydrophobicContact CD1-CG1 4.23Å; Y57-V264 HydrophobicContact CE1-CG1 3.8Å
58	Q	92.7	Very high	70.1	Confident	138 Å²	138	106.3 Å²	106.3	65%	0.645	53%	0.529	S	S	*	.			trans	-80.8	124.2	-168.7	-63.4	-168.4	-2.3	0	0	110	Q56	Q56-Q58 WeakPolarHBondContact O-CG 3.18Å; Q56-Q58 PolarHBondContact O-N 2.74Å
59	Y	95.4	Very high	73.3	Confident	85 Å²	85	103 Å²	103	33%	0.333	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	154.5	176.1	69.2	-93.6	0	0	0	111.7	Y57 V61 I254 K255 V264 K265	Y57-Y59 HydrophobicContact CD1-CD1 4.28Å; Y57-Y59 WeakPolarHBondContact O-CD1 3.24Å; Y57-Y59 PolarHBondContact O-N 2.82Å; Y59-V61 HydrophobicContact CD2-CG2 4.38Å; Y59-V61 HydrophobicContact CE2-CG2 4.12Å; Y59-I254 HydrophobicContact CD2-CG2 3.93Å; Y59-I254 HydrophobicContact CG-CG2 4.29Å; Y59-K255 CarbonylContact C-O 3.42Å; Y59-K255 VanDerWaalsContact CA-O 3.22Å; Y59-K255 WeakPolarHBondContact CA-O 3.34Å; Y59-K255 WeakPolarHBondContact CB-O 3.25Å; Y59-V264 HydrophobicContact CD1-CB 4.31Å; Y59-V264 HydrophobicContact CD1-CG1 3.76Å; Y59-V264 HydrophobicContact CD2-CB 4.27Å; Y59-V264 HydrophobicContact CD2-CG1 4.27Å; Y59-V264 HydrophobicContact CE1-CB 4.3Å; Y59-V264 HydrophobicContact CE1-CG1 4.17Å; Y59-V264 HydrophobicContact CE2-CB 4.27Å; Y59-V264 HydrophobicContact CG-CB 4.3Å; Y59-V264 HydrophobicContact CG-CG1 3.82Å; Y59-K265 WeakPolarHBondContact CE2-O 3.32Å; Y59-K265 WeakPolarHBondContact OH-CB 3.34Å; Y59-K265 PolarHBondContact OH-N 2.79Å; Y59-K265 PolarHBondContact OH-O 3.28Å
60	E	96.3	Very high	76.3	Confident	96 Å²	96	95.3 Å²	95.3	45%	0.449	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	142.1	178	-60.2	169.6	-128.5	0	0	110.2	L62 I254 K255	E60-L62 HydrophobicContact CB-CD2 4.13Å; E60-L62 HydrophobicContact CB-CG 4.47Å; E60-I254 CarbonylContact O-C 3.52Å; E60-I254 WeakPolarHBondContact O-CA 3.22Å; E60-K255 HydrophobicContact CB-CB 4.32Å; E60-K255 PolarHBondContact N-O 2.86Å; E60-K255 PolarHBondContact O-N 3.35Å; E60-K255 IonicContact OE1-NZ 3.49Å; E60-K255 PolarHBondContact OE1-NZ 3.48Å; E60-K255 IonicContact OE2-NZ 2.84Å
61	V	96.7	Very high	79.5	Confident	20 Å²	20	87.9 Å²	87.9	12%	0.121	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	113	172.1	-170.7	0	0	0	0	109.2	Y59 F252 I254 R267	Y59-V61 HydrophobicContact CD2-CG2 4.38Å; Y59-V61 HydrophobicContact CE2-CG2 4.12Å; V61-F252 HydrophobicContact CG1-CB 3.84Å; V61-F252 HydrophobicContact CG1-CD1 4.09Å; V61-F252 HydrophobicContact CG1-CG 4.03Å; V61-I254 HydrophobicContact CB-CD1 4.18Å; V61-I254 HydrophobicContact CG1-CD1 3.96Å; V61-I254 HydrophobicContact CG2-CD1 3.69Å; V61-R267 HydrophobicContact CB-CG 4.1Å; V61-R267 HydrophobicContact CG1-CB 4.44Å; V61-R267 HydrophobicContact CG1-CG 3.85Å; V61-R267 HydrophobicContact CG2-CG 4.45Å; V61-R267 PolarHBondContact O-NH2 2.86Å
62	L	96	Very high	82.5	Confident	21 Å²	21	89.1 Å²	89.1	11%	0.11	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	145.8	-171.8	-57.1	-178	0	0	0	112.4	E60 C66 V67 F242 F252 V253 K255	E60-L62 HydrophobicContact CB-CD2 4.13Å; E60-L62 HydrophobicContact CB-CG 4.47Å; L62-C66 HydrophobicContact CB-CB 4.13Å; L62-C66 HydrophobicContact CD2-CB 4.24Å; L62-V67 HydrophobicContact CB-CG2 4Å; L62-V67 HydrophobicContact CD1-CG2 4.27Å; L62-F242 HydrophobicContact CD1-CE1 3.82Å; L62-F252 WeakPolarHBondContact O-CA 3.43Å; L62-F252 WeakPolarHBondContact O-CD1 3.38Å; L62-V253 PolarHBondContact N-O 2.95Å; L62-V253 PolarHBondContact O-N 3.31Å; L62-K255 HydrophobicContact CD1-CB 3.88Å; L62-K255 HydrophobicContact CD1-CD 4.06Å; L62-K255 HydrophobicContact CG-CB 4.39Å
63	T	95	Very high	85.6	Confident	47 Å²	47	87.1 Å²	87.1	29%	0.288	43%	0.427	S	S	.	.			trans	-79	164.2	165.4	61.4	0	0	0	0	110.2	E65 C66 V67 F252	T63-E65 PolarHBondContact O-N 3.33Å; T63-C66 PolarHBondContact O-N 3.38Å; T63-C66 VanDerWaalsContact O-N 3.16Å; T63-C66 PolarHBondContact OG1-N 3.09Å; T63-C66 PolarHBondContact OG1-SG 3.02Å; T63-V67 WeakPolarHBondContact O-CG2 3.34Å; T63-V67 PolarHBondContact O-N 3.43Å; T63-V67 VanDerWaalsContact O-N 3.07Å; T63-F252 HydrophobicContact CG2-CD1 4.38Å; T63-F252 HydrophobicContact CG2-CE1 3.87Å
64	L	89.9	Confident	88.4	Confident	51 Å²	51	80.5 Å²	80.5	27%	0.267	39%	0.391	S	S	.	.	H	α-helix	trans	-57.9	-35.2	174.5	-72.3	173	0	0	0	113.5	V67 S68 Y229 W244 A251	L64-V67 PolarHBondContact O-N 3.28Å; L64-S68 WeakPolarHBondContact O-CB 3.22Å; L64-S68 PolarHBondContact O-N 3.26Å; L64-Y229 HydrophobicContact CD1-CD2 4.44Å; L64-W244 HydrophobicContact CD2-CH2 3.29Å; L64-W244 HydrophobicContact CD2-CZ2 4.45Å; L64-W244 HydrophobicContact CD2-CZ3 3.64Å; L64-A251 HydrophobicContact CD1-CB 4.04Å; L64-A251 HydrophobicContact CG-CB 4.48Å
65	E	91.7	Very high	90.7	Very high	157 Å²	157	72.8 Å²	72.8	73%	0.734	36%	0.356	S	S	*	.	H	α-helix	trans	-64.6	-44.3	177.1	-66.1	173.1	-176.8	0	0	111.2	T63 V67 S68 S69	T63-E65 PolarHBondContact O-N 3.33Å; E65-V67 VanDerWaalsContact C-N 3.34Å; E65-V67 PolarHBondContact O-N 3.39Å; E65-S68 WeakPolarHBondContact O-CB 3.34Å; E65-S68 PolarHBondContact O-N 3.09Å; E65-S69 PolarHBondContact O-N 2.94Å; E65-S69 PolarHBondContact O-OG 2.74Å
66	C	94.6	Very high	92.7	Very high	63 Å²	63	69.2 Å²	69.2	43%	0.426	33%	0.334	S	S	.	.	H	α-helix	trans	-62.3	-41.4	175.3	-66.1	0	0	0	0	111.8	L62 T63 S68 S69 Y70	L62-C66 HydrophobicContact CB-CB 4.13Å; L62-C66 HydrophobicContact CD2-CB 4.24Å; T63-C66 PolarHBondContact O-N 3.38Å; T63-C66 VanDerWaalsContact O-N 3.16Å; T63-C66 PolarHBondContact OG1-N 3.09Å; T63-C66 PolarHBondContact OG1-SG 3.02Å; C66-S68 VanDerWaalsContact C-N 3.35Å; C66-S69 PolarHBondContact O-N 2.93Å; C66-Y70 WeakPolarHBondContact O-CB 3.42Å; C66-Y70 PolarHBondContact O-N 3.41Å
67	V	94	Very high	93.9	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63.4	-41.8	176.4	177.2	0	0	0	0	110.9	L62 T63 L64 E65 Y70 M71 L232 F235 V236 V253	L62-V67 HydrophobicContact CB-CG2 4Å; L62-V67 HydrophobicContact CD1-CG2 4.27Å; T63-V67 WeakPolarHBondContact O-CG2 3.34Å; T63-V67 PolarHBondContact O-N 3.43Å; T63-V67 VanDerWaalsContact O-N 3.07Å; L64-V67 PolarHBondContact O-N 3.28Å; E65-V67 VanDerWaalsContact C-N 3.34Å; E65-V67 PolarHBondContact O-N 3.39Å; V67-Y70 PolarHBondContact O-N 3.49Å; V67-M71 PolarHBondContact O-N 3.45Å; V67-L232 HydrophobicContact CG1-CD2 4.38Å; V67-F235 HydrophobicContact CG1-CD1 3.86Å; V67-F235 HydrophobicContact CG1-CE1 3.91Å; V67-V236 HydrophobicContact CG1-CG2 3.74Å; V67-V253 HydrophobicContact CG2-CB 3.82Å; V67-V253 HydrophobicContact CG2-CG1 4.16Å; V67-V253 HydrophobicContact CG2-CG2 3.99Å
68	S	93.2	Very high	94.2	Very high	31 Å²	31	63 Å²	63	22%	0.217	31%	0.308	C	S	.	.	H	α-helix	trans	-61	-45.3	175.7	-172.3	0	0	0	0	112.3	L64 E65 C66 Y70 M71 K72	L64-S68 WeakPolarHBondContact O-CB 3.22Å; L64-S68 PolarHBondContact O-N 3.26Å; E65-S68 WeakPolarHBondContact O-CB 3.34Å; E65-S68 PolarHBondContact O-N 3.09Å; C66-S68 VanDerWaalsContact C-N 3.35Å; S68-Y70 VanDerWaalsContact C-N 3.31Å; S68-Y70 PolarHBondContact O-N 3.18Å; S68-M71 PolarHBondContact O-N 2.86Å; S68-K72 WeakPolarHBondContact O-CG 3.09Å; S68-K72 PolarHBondContact O-N 3.05Å
69	S	94.5	Very high	94.3	Very high	78 Å²	78	57.6 Å²	57.6	55%	0.545	28%	0.284	S	S	.	.	H	α-helix	trans	-61.3	-40.2	174.9	-63.2	0	0	0	0	112	E65 C66 K72 E73	E65-S69 PolarHBondContact O-N 2.94Å; E65-S69 PolarHBondContact O-OG 2.74Å; C66-S69 PolarHBondContact O-N 2.93Å; S69-K72 PolarHBondContact O-N 3.47Å; S69-E73 WeakPolarHBondContact O-CB 3.42Å; S69-E73 PolarHBondContact O-N 3.49Å
70	Y	93.3	Very high	94.2	Very high	85 Å²	85	57.3 Å²	57.3	33%	0.333	30%	0.295	S	S	.	.	H	α-helix	trans	-66	-42.9	177.7	-163.4	-95.5	0	0	0	112.3	C66 V67 S68 K72 E73 I74 F235 F242	C66-Y70 WeakPolarHBondContact O-CB 3.42Å; C66-Y70 PolarHBondContact O-N 3.41Å; V67-Y70 PolarHBondContact O-N 3.49Å; S68-Y70 VanDerWaalsContact C-N 3.31Å; S68-Y70 PolarHBondContact O-N 3.18Å; Y70-K72 PolarHBondContact O-N 3.46Å; Y70-E73 PolarHBondContact O-N 2.88Å; Y70-I74 HydrophobicContact CD1-CD1 3.6Å; Y70-I74 HydrophobicContact CD1-CG1 4.27Å; Y70-I74 HydrophobicContact CE1-CD1 3.46Å; Y70-I74 VanDerWaalsContact CE1-CD1 3.46Å; Y70-I74 HydrophobicContact CE1-CG1 4.11Å; Y70-I74 WeakPolarHBondContact O-CG1 3.41Å; Y70-I74 PolarHBondContact O-N 2.61Å; Y70-F235 HydrophobicContact CD1-CZ 4.26Å; Y70-F242 AromaticContact CD1-CE2 3.77Å; Y70-F242 HydrophobicContact CD1-CE2 3.77Å; Y70-F242 AromaticContact CD1-CZ 3.42Å; Y70-F242 HydrophobicContact CD1-CZ 3.42Å; Y70-F242 VanDerWaalsContact CD1-CZ 3.42Å; Y70-F242 AromaticContact CE1-CE2 3.78Å; Y70-F242 HydrophobicContact CE1-CE2 3.78Å; Y70-F242 AromaticContact CE1-CZ 3.54Å; Y70-F242 HydrophobicContact CE1-CZ 3.54Å; Y70-F242 HydrophobicContact CG-CZ 4.09Å
71	M	94	Very high	94	Very high	13 Å²	13	56.5 Å²	56.5	6%	0.064	30%	0.296	C	S	.	.	H	α-helix	trans	-58.3	-48	174.7	-173.6	-174.8	72.7	0	0	111	V67 S68 E73 I74 V75 W98 T231 L232 F235	V67-M71 PolarHBondContact O-N 3.45Å; S68-M71 PolarHBondContact O-N 2.86Å; M71-E73 VanDerWaalsContact C-N 3.33Å; M71-E73 PolarHBondContact O-N 3.4Å; M71-I74 PolarHBondContact O-N 2.69Å; M71-V75 WeakPolarHBondContact O-CG2 3.35Å; M71-V75 PolarHBondContact O-N 2.72Å; M71-W98 HydrophobicContact CG-CH2 3.29Å; M71-W98 HydrophobicContact CG-CZ2 3.93Å; M71-W98 HydrophobicContact CG-CZ3 3.85Å; M71-W98 HydrophobicContact SD-CH2 3.96Å; M71-W98 HydrophobicContact SD-CZ2 4.06Å; M71-T231 HydrophobicContact CE-CG2 4.28Å; M71-T231 HydrophobicContact SD-CG2 4.47Å; M71-L232 HydrophobicContact CE-CD2 4Å; M71-L232 HydrophobicContact SD-CD2 3.99Å; M71-F235 HydrophobicContact CB-CD1 3.99Å; M71-F235 HydrophobicContact CB-CE1 3.87Å; M71-F235 HydrophobicContact CB-CE2 4.48Å; M71-F235 HydrophobicContact CB-CG 4.35Å; M71-F235 HydrophobicContact CB-CZ 4.12Å; M71-F235 HydrophobicContact CG-CD1 4.14Å; M71-F235 HydrophobicContact CG-CD2 4.07Å; M71-F235 HydrophobicContact CG-CE1 4.35Å; M71-F235 HydrophobicContact CG-CE2 4.27Å; M71-F235 HydrophobicContact CG-CG 3.98Å; M71-F235 HydrophobicContact CG-CZ 4.4Å; M71-F235 HydrophobicContact SD-CB 3.96Å; M71-F235 HydrophobicContact SD-CD1 4.34Å; M71-F235 HydrophobicContact SD-CG 4.02Å
72	K	94	Very high	93.7	Very high	134 Å²	134	56 Å²	56	58%	0.583	29%	0.293	S	S	*	.	H	α-helix	trans	-61.7	-40.2	176.9	-70.8	177.6	-177.9	-174.5	0	112.3	S68 S69 Y70 V75 R76	S68-K72 WeakPolarHBondContact O-CG 3.09Å; S68-K72 PolarHBondContact O-N 3.05Å; S69-K72 PolarHBondContact O-N 3.47Å; Y70-K72 PolarHBondContact O-N 3.46Å; K72-V75 PolarHBondContact O-N 3.15Å; K72-R76 WeakPolarHBondContact O-CB 3.41Å; K72-R76 PolarHBondContact O-N 2.79Å
73	E	94.9	Very high	93.4	Very high	68 Å²	68	63.3 Å²	63.3	32%	0.318	33%	0.326	S	S	.	.	H	α-helix	trans	-65.2	-40.1	178.2	-179.8	55.5	-158.7	0	0	112	S69 Y70 M71 R76 Q77	S69-E73 WeakPolarHBondContact O-CB 3.42Å; S69-E73 PolarHBondContact O-N 3.49Å; Y70-E73 PolarHBondContact O-N 2.88Å; M71-E73 VanDerWaalsContact C-N 3.33Å; M71-E73 PolarHBondContact O-N 3.4Å; E73-R76 PolarHBondContact O-N 3.08Å; E73-R76 IonicContact OE1-CZ 3.53Å; E73-R76 IonicContact OE1-NE 3.65Å; E73-R76 IonicContact OE1-NH2 3.99Å; E73-R76 PolarHBondContact OE1-NH2 3.06Å; E73-R76 IonicContact OE2-CZ 3.28Å; E73-R76 IonicContact OE2-NE 3.56Å; E73-R76 PolarHBondContact OE2-NE 2.88Å; E73-R76 IonicContact OE2-NH2 2.69Å; E73-R76 PolarHBondContact OE2-NH2 2.96Å; E73-Q77 WeakPolarHBondContact O-CB 3.15Å; E73-Q77 VanDerWaalsContact O-CG 3.28Å; E73-Q77 WeakPolarHBondContact O-CG 3.13Å; E73-Q77 PolarHBondContact O-N 3.32Å; E73-Q77 PolarHBondContact OE1-NE2 3.17Å
74	I	92.9	Very high	93.1	Very high	17 Å²	17	62.2 Å²	62.2	9%	0.087	32%	0.318	C	S	.	.	H	α-helix	trans	-61	-48.1	172.1	-68.6	164.6	0	0	0	110.6	Y70 M71 R76 Q77 V78 L93 W98 F235	Y70-I74 HydrophobicContact CD1-CD1 3.6Å; Y70-I74 HydrophobicContact CD1-CG1 4.27Å; Y70-I74 HydrophobicContact CE1-CD1 3.46Å; Y70-I74 VanDerWaalsContact CE1-CD1 3.46Å; Y70-I74 HydrophobicContact CE1-CG1 4.11Å; Y70-I74 WeakPolarHBondContact O-CG1 3.41Å; Y70-I74 PolarHBondContact O-N 2.61Å; M71-I74 PolarHBondContact O-N 2.69Å; I74-R76 VanDerWaalsContact C-N 3.27Å; I74-R76 PolarHBondContact O-N 3.3Å; I74-Q77 PolarHBondContact O-N 3.24Å; I74-V78 HydrophobicContact CG2-CG2 4.27Å; I74-V78 WeakPolarHBondContact O-CG2 3.42Å; I74-V78 PolarHBondContact O-N 3.05Å; I74-L93 HydrophobicContact CG2-CD1 4.21Å; I74-W98 HydrophobicContact CB-CZ3 4.49Å; I74-W98 HydrophobicContact CG2-CE3 4.2Å; I74-W98 HydrophobicContact CG2-CZ3 4.18Å; I74-F235 HydrophobicContact CD1-CE2 4.12Å; I74-F235 HydrophobicContact CD1-CZ 3.9Å
75	V	94.9	Very high	93.2	Very high	7 Å²	7	62.8 Å²	62.8	4%	0.042	33%	0.325	C	S	.	.	H	α-helix	trans	-57.3	-44.4	178.7	172.9	0	0	0	0	110.3	M71 K72 V78 T79 E86 T89 R90 L93 W98	M71-V75 WeakPolarHBondContact O-CG2 3.35Å; M71-V75 PolarHBondContact O-N 2.72Å; K72-V75 PolarHBondContact O-N 3.15Å; V75-V78 PolarHBondContact O-N 2.99Å; V75-T79 WeakPolarHBondContact O-CB 3.46Å; V75-T79 PolarHBondContact O-N 3.03Å; V75-T79 PolarHBondContact O-OG1 3.43Å; V75-E86 HydrophobicContact CG1-CB 4.01Å; V75-E86 HydrophobicContact CG1-CG 4.31Å; V75-T89 HydrophobicContact CG1-CG2 4.34Å; V75-R90 HydrophobicContact CG1-CB 4.23Å; V75-R90 HydrophobicContact CG2-CB 4.03Å; V75-R90 HydrophobicContact CG2-CG 4.15Å; V75-L93 HydrophobicContact CB-CD1 4.47Å; V75-L93 HydrophobicContact CG2-CD1 3.9Å; V75-W98 HydrophobicContact CG2-CH2 3.85Å; V75-W98 HydrophobicContact CG2-CZ3 3.92Å
76	R	95.9	Very high	93.2	Very high	119 Å²	119	60.1 Å²	60.1	45%	0.449	31%	0.313	S	S	.	.	H	α-helix	trans	-63.7	-43.9	178.6	-168.5	-170.6	69.9	75.9	1	112.2	K72 E73 I74 T79 S80	K72-R76 WeakPolarHBondContact O-CB 3.41Å; K72-R76 PolarHBondContact O-N 2.79Å; E73-R76 PolarHBondContact O-N 3.08Å; E73-R76 IonicContact OE1-CZ 3.53Å; E73-R76 IonicContact OE1-NE 3.65Å; E73-R76 IonicContact OE1-NH2 3.99Å; E73-R76 PolarHBondContact OE1-NH2 3.06Å; E73-R76 IonicContact OE2-CZ 3.28Å; E73-R76 IonicContact OE2-NE 3.56Å; E73-R76 PolarHBondContact OE2-NE 2.88Å; E73-R76 IonicContact OE2-NH2 2.69Å; E73-R76 PolarHBondContact OE2-NH2 2.96Å; I74-R76 VanDerWaalsContact C-N 3.27Å; I74-R76 PolarHBondContact O-N 3.3Å; R76-T79 PolarHBondContact O-N 3.22Å; R76-S80 PolarHBondContact O-N 3.47Å
77	Q	94.7	Very high	93	Very high	83 Å²	83	59.1 Å²	59.1	39%	0.388	31%	0.305	S	S	.	.	H	α-helix	trans	-62.2	-48.8	177.3	-74.2	174.3	11.8	0	0	111.3	E73 I74 S80	E73-Q77 WeakPolarHBondContact O-CB 3.15Å; E73-Q77 VanDerWaalsContact O-CG 3.28Å; E73-Q77 WeakPolarHBondContact O-CG 3.13Å; E73-Q77 PolarHBondContact O-N 3.32Å; E73-Q77 PolarHBondContact OE1-NE2 3.17Å; I74-Q77 PolarHBondContact O-N 3.24Å; Q77-S80 PolarHBondContact O-N 2.89Å; Q77-S80 PolarHBondContact O-OG 3.31Å
78	V	94	Very high	92.9	Very high	10 Å²	10	60 Å²	60	6%	0.061	31%	0.311	C	S	.	.	H	α-helix	trans	-65.3	-43.1	179.2	176.2	0	0	0	0	110.6	I74 V75 S80 V81 I82 T89 L93 R100 L103 M104	I74-V78 HydrophobicContact CG2-CG2 4.27Å; I74-V78 WeakPolarHBondContact O-CG2 3.42Å; I74-V78 PolarHBondContact O-N 3.05Å; V75-V78 PolarHBondContact O-N 2.99Å; V78-S80 PolarHBondContact O-N 2.9Å; V78-V81 PolarHBondContact O-N 3.23Å; V78-I82 HydrophobicContact CG1-CD1 4.01Å; V78-I82 HydrophobicContact CG1-CG1 4.45Å; V78-I82 HydrophobicContact CG1-CG2 4.43Å; V78-I82 WeakPolarHBondContact O-CG1 3.32Å; V78-I82 PolarHBondContact O-N 3.08Å; V78-T89 HydrophobicContact CB-CG2 3.94Å; V78-T89 HydrophobicContact CG1-CG2 3.67Å; V78-L93 HydrophobicContact CB-CD1 4.28Å; V78-L93 HydrophobicContact CG1-CD1 4.48Å; V78-L93 HydrophobicContact CG1-CD2 4.42Å; V78-L93 HydrophobicContact CG2-CD1 4.29Å; V78-L93 HydrophobicContact CG2-CD2 4.17Å; V78-R100 HydrophobicContact CG2-CG 4.19Å; V78-L103 HydrophobicContact CG1-CD2 3.86Å; V78-M104 HydrophobicContact CG1-SD 4.42Å
79	T	94.4	Very high	92.9	Very high	25 Å²	25	58.5 Å²	58.5	15%	0.153	30%	0.3	C	S	.	.	H	α-helix	trans	-54	-40.2	174.4	-67.4	0	0	0	0	111.9	V75 R76 V81 E83 L84 E86 T89	V75-T79 WeakPolarHBondContact O-CB 3.46Å; V75-T79 PolarHBondContact O-N 3.03Å; V75-T79 PolarHBondContact O-OG1 3.43Å; R76-T79 PolarHBondContact O-N 3.22Å; T79-V81 PolarHBondContact O-N 3.48Å; T79-E83 VanDerWaalsContact O-CA 3.32Å; T79-E83 WeakPolarHBondContact O-CA 3.42Å; T79-E83 PolarHBondContact O-N 2.88Å; T79-L84 WeakPolarHBondContact CG2-O 3.32Å; T79-E86 HydrophobicContact CG2-CG 4.07Å; T79-T89 VanDerWaalsContact OG1-CB 3.27Å; T79-T89 WeakPolarHBondContact OG1-CB 3.42Å; T79-T89 WeakPolarHBondContact OG1-CG2 3.27Å; T79-T89 PolarHBondContact OG1-OG1 3.2Å
80	S	93.2	Very high	92.8	Very high	79 Å²	79	55.5 Å²	55.5	55%	0.552	28%	0.277	S	S	*	.	H	α-helix	trans	-67.4	-16.5	179.4	72.7	0	0	0	0	114.7	R76 Q77 V78	R76-S80 PolarHBondContact O-N 3.47Å; Q77-S80 PolarHBondContact O-N 2.89Å; Q77-S80 PolarHBondContact O-OG 3.31Å; V78-S80 PolarHBondContact O-N 2.9Å
81	V	92.3	Very high	92.7	Very high	79 Å²	79	51.8 Å²	51.8	48%	0.479	26%	0.263	S	S	.	.	H	α-helix	trans	-102.1	-42	-179.7	-170.4	0	0	0	0	111.5	V78 T79 M104 Y108	V78-V81 PolarHBondContact O-N 3.23Å; T79-V81 PolarHBondContact O-N 3.48Å; V81-M104 HydrophobicContact CB-CE 3.5Å; V81-M104 VanDerWaalsContact CB-CE 3.5Å; V81-M104 HydrophobicContact CG1-CE 3.18Å; V81-M104 HydrophobicContact CG2-CE 4.37Å; V81-Y108 PolarHBondContact O-OH 3.25Å
82	I	89.7	Confident	92.6	Very high	10 Å²	10	51.1 Å²	51.1	5%	0.051	26%	0.26	C	S	.	.	H	α-helix	trans	-85.7	-11.5	179	70.2	179.7	0	0	0	113.7	V78 L84 T89 M104 F107	V78-I82 HydrophobicContact CG1-CD1 4.01Å; V78-I82 HydrophobicContact CG1-CG1 4.45Å; V78-I82 HydrophobicContact CG1-CG2 4.43Å; V78-I82 WeakPolarHBondContact O-CG1 3.32Å; V78-I82 PolarHBondContact O-N 3.08Å; I82-L84 VanDerWaalsContact C-N 3.25Å; I82-L84 HydrophobicContact CD1-CB 4.15Å; I82-L84 HydrophobicContact CD1-CD1 3.76Å; I82-L84 HydrophobicContact CD1-CG 4.09Å; I82-L84 HydrophobicContact CG1-CB 4.06Å; I82-L84 HydrophobicContact CG1-CD1 4.21Å; I82-L84 HydrophobicContact CG1-CG 4Å; I82-L84 PolarHBondContact O-N 2.97Å; I82-T89 HydrophobicContact CD1-CG2 3.81Å; I82-M104 HydrophobicContact CG2-CE 3.73Å; I82-M104 HydrophobicContact CG2-SD 3.5Å; I82-M104 VanDerWaalsContact CG2-SD 3.5Å; I82-F107 HydrophobicContact CB-CD1 4.23Å; I82-F107 HydrophobicContact CB-CE1 3.89Å; I82-F107 HydrophobicContact CB-CZ 4.2Å; I82-F107 HydrophobicContact CG2-CD1 3.97Å; I82-F107 HydrophobicContact CG2-CE1 4.14Å; I82-F107 HydrophobicContact CG2-CG 4.47Å
83	E	90	Very high	92.6	Very high	173 Å²	173	44.8 Å²	44.8	81%	0.808	23%	0.232	S	C	*	.			trans	56.9	30.5	178.3	-58.1	-172.9	163.5	0	0	115	T79	T79-E83 VanDerWaalsContact O-CA 3.32Å; T79-E83 WeakPolarHBondContact O-CA 3.42Å; T79-E83 PolarHBondContact O-N 2.88Å
84	L	89.5	Confident	92.4	Very high	24 Å²	24	42.1 Å²	42.1	13%	0.126	22%	0.22	C	C	.	.			trans	-99.5	155.2	174.5	-61.5	-179.9	0	0	0	112.1	T79 I82 V88 T89 L92 F107 F117 P125	T79-L84 WeakPolarHBondContact CG2-O 3.32Å; I82-L84 VanDerWaalsContact C-N 3.25Å; I82-L84 HydrophobicContact CD1-CB 4.15Å; I82-L84 HydrophobicContact CD1-CD1 3.76Å; I82-L84 HydrophobicContact CD1-CG 4.09Å; I82-L84 HydrophobicContact CG1-CB 4.06Å; I82-L84 HydrophobicContact CG1-CD1 4.21Å; I82-L84 HydrophobicContact CG1-CG 4Å; I82-L84 PolarHBondContact O-N 2.97Å; L84-V88 HydrophobicContact CB-CG1 4.42Å; L84-V88 HydrophobicContact CD1-CG1 4.09Å; L84-T89 PolarHBondContact O-OG1 3.34Å; L84-L92 HydrophobicContact CD1-CD1 3.63Å; L84-F107 HydrophobicContact CD1-CE2 3.92Å; L84-F107 HydrophobicContact CD1-CZ 4.28Å; L84-F107 HydrophobicContact CG-CZ 4.44Å; L84-F117 HydrophobicContact CD1-CE1 4.09Å; L84-F117 HydrophobicContact CD1-CZ 3.63Å; L84-F117 HydrophobicContact CD2-CZ 4.24Å; L84-P125 HydrophobicContact CD2-CG 4.22Å
85	P	91.7	Very high	92.3	Very high	64 Å²	64	45.4 Å²	45.4	42%	0.416	24%	0.235	S	C	.	.			trans	-56.2	140.1	173.8	-23.8	34.1	0	0	0	112.5	P87 V88 T89 P125	P85-P87 VanDerWaalsContact C-N 3.32Å; P85-V88 WeakPolarHBondContact O-CB 3.26Å; P85-V88 PolarHBondContact O-N 3.14Å; P85-T89 PolarHBondContact O-N 3.19Å; P85-T89 PolarHBondContact O-OG1 2.99Å; P85-P125 HydrophobicContact CG-CB 4.12Å; P85-P125 HydrophobicContact CG-CG 3.99Å
86	E	92.6	Very high	92.1	Very high	101 Å²	101	46.1 Å²	46.1	47%	0.472	24%	0.238	S	C	.	.	H	α-helix	trans	-50.8	-41.3	-179.1	-66.9	-172	176.9	0	0	114.5	V75 T79 V88 T89 R90	V75-E86 HydrophobicContact CG1-CB 4.01Å; V75-E86 HydrophobicContact CG1-CG 4.31Å; T79-E86 HydrophobicContact CG2-CG 4.07Å; E86-V88 VanDerWaalsContact C-N 3.27Å; E86-V88 PolarHBondContact O-N 3.02Å; E86-T89 PolarHBondContact O-N 3.08Å; E86-R90 WeakPolarHBondContact O-CB 3.23Å; E86-R90 PolarHBondContact O-N 2.94Å
87	P	90.2	Very high	91.8	Very high	41 Å²	41	47.7 Å²	47.7	27%	0.266	25%	0.248	S	C	.	.	H	α-helix	trans	-59.4	-38.4	177.6	-25.2	35.5	0	0	0	113.1	P85 L91 D210	P85-P87 VanDerWaalsContact C-N 3.32Å; P87-L91 WeakPolarHBondContact O-CG 3.42Å; P87-L91 PolarHBondContact O-N 3.17Å; P87-D210 HydrophobicContact CB-CB 3.75Å
88	V	91.1	Very high	91.6	Very high	19 Å²	19	44.9 Å²	44.9	12%	0.115	23%	0.234	C	C	.	.	H	α-helix	trans	-73.3	-46.3	178.8	170.6	0	0	0	0	110.4	L84 P85 E86 R90 L91 L92 F117 I122 P125	L84-V88 HydrophobicContact CB-CG1 4.42Å; L84-V88 HydrophobicContact CD1-CG1 4.09Å; P85-V88 WeakPolarHBondContact O-CB 3.26Å; P85-V88 PolarHBondContact O-N 3.14Å; E86-V88 VanDerWaalsContact C-N 3.27Å; E86-V88 PolarHBondContact O-N 3.02Å; V88-R90 VanDerWaalsContact C-N 3.28Å; V88-R90 PolarHBondContact O-N 3.41Å; V88-L91 PolarHBondContact O-N 2.82Å; V88-L91 VanDerWaalsContact O-N 3.17Å; V88-L92 HydrophobicContact CG1-CD1 4.15Å; V88-L92 PolarHBondContact O-N 3.3Å; V88-F117 HydrophobicContact CG1-CD1 4.49Å; V88-F117 HydrophobicContact CG1-CE1 3.66Å; V88-I122 HydrophobicContact CG1-CG2 4.02Å; V88-I122 HydrophobicContact CG2-CG2 4.16Å; V88-P125 HydrophobicContact CG2-CG 4.28Å
89	T	93.2	Very high	91.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-57.4	-42.1	176.6	-55.7	0	0	0	0	111.7	V75 V78 T79 I82 L84 P85 E86 L92 L93	V75-T89 HydrophobicContact CG1-CG2 4.34Å; V78-T89 HydrophobicContact CB-CG2 3.94Å; V78-T89 HydrophobicContact CG1-CG2 3.67Å; T79-T89 VanDerWaalsContact OG1-CB 3.27Å; T79-T89 WeakPolarHBondContact OG1-CB 3.42Å; T79-T89 WeakPolarHBondContact OG1-CG2 3.27Å; T79-T89 PolarHBondContact OG1-OG1 3.2Å; I82-T89 HydrophobicContact CD1-CG2 3.81Å; L84-T89 PolarHBondContact O-OG1 3.34Å; P85-T89 PolarHBondContact O-N 3.19Å; P85-T89 PolarHBondContact O-OG1 2.99Å; E86-T89 PolarHBondContact O-N 3.08Å; T89-L92 PolarHBondContact O-N 3Å; T89-L93 HydrophobicContact CG2-CD1 4Å; T89-L93 HydrophobicContact CG2-CG 4.44Å; T89-L93 WeakPolarHBondContact O-CB 3.39Å; T89-L93 WeakPolarHBondContact O-CG 3.27Å; T89-L93 PolarHBondContact O-N 2.69Å
90	R	92.9	Very high	91.2	Very high	14 Å²	14	52.5 Å²	52.5	5%	0.053	26%	0.263	C	S	.	.	H	α-helix	trans	-62.7	-42.9	177.7	-175.4	-157.1	65.7	83.9	-10.1	112.2	V75 E86 V88 N94 W98 D211	V75-R90 HydrophobicContact CG1-CB 4.23Å; V75-R90 HydrophobicContact CG2-CB 4.03Å; V75-R90 HydrophobicContact CG2-CG 4.15Å; E86-R90 WeakPolarHBondContact O-CB 3.23Å; E86-R90 PolarHBondContact O-N 2.94Å; V88-R90 VanDerWaalsContact C-N 3.28Å; V88-R90 PolarHBondContact O-N 3.41Å; R90-N94 WeakPolarHBondContact O-CB 3.09Å; R90-N94 PolarHBondContact O-N 3.26Å; R90-W98 HydrophobicContact CG-CH2 4.44Å; R90-D211 WeakPolarHBondContact CD-OD2 3.14Å; R90-D211 IonicContact CZ-OD1 2.86Å; R90-D211 IonicContact CZ-OD2 3.85Å; R90-D211 VanDerWaalsContact CZ-OD2 3.23Å; R90-D211 VanDerWaalsContact NE-CG 3.34Å; R90-D211 IonicContact NE-OD1 3.91Å; R90-D211 IonicContact NE-OD2 3.59Å; R90-D211 PolarHBondContact NE-OD2 3.44Å; R90-D211 IonicContact NH1-OD1 3.98Å; R90-D211 PolarHBondContact NH1-OD1 2.82Å; R90-D211 IonicContact NH1-OD2 2.86Å; R90-D211 IonicContact NH2-OD1 3.67Å; R90-D211 PolarHBondContact NH2-OD1 3.23Å; R90-D211 IonicContact NH2-OD2 3.97Å
91	L	91.7	Very high	91	Very high	7 Å²	7	55.6 Å²	55.6	4%	0.037	27%	0.269	C	S	.	.	H	α-helix	trans	-65.9	-41.7	176.6	-73.2	171.7	0	0	0	111.6	P87 V88 N94 H95 I122 L208 D210	P87-L91 WeakPolarHBondContact O-CG 3.42Å; P87-L91 PolarHBondContact O-N 3.17Å; V88-L91 PolarHBondContact O-N 2.82Å; V88-L91 VanDerWaalsContact O-N 3.17Å; L91-N94 WeakPolarHBondContact O-CB 3.4Å; L91-N94 PolarHBondContact O-N 3.33Å; L91-H95 PolarHBondContact O-N 2.99Å; L91-I122 HydrophobicContact CB-CD1 3.48Å; L91-I122 VanDerWaalsContact CB-CD1 3.48Å; L91-I122 HydrophobicContact CB-CG1 4.05Å; L91-I122 HydrophobicContact CD1-CD1 4.49Å; L91-I122 HydrophobicContact CD1-CG1 4.21Å; L91-L208 HydrophobicContact CD1-CB 4.25Å; L91-L208 HydrophobicContact CD2-CB 4.27Å; L91-L208 HydrophobicContact CD2-CD1 4.05Å; L91-D210 HydrophobicContact CD1-CB 4.27Å
92	L	91.9	Very high	90.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.2	-47.7	174.5	-74.4	173.4	0	0	0	111.6	L84 V88 T89 N94 H95 F96 L103 F117 A120 I122	L84-L92 HydrophobicContact CD1-CD1 3.63Å; V88-L92 HydrophobicContact CG1-CD1 4.15Å; V88-L92 PolarHBondContact O-N 3.3Å; T89-L92 PolarHBondContact O-N 3Å; L92-N94 PolarHBondContact O-N 3.28Å; L92-H95 WeakPolarHBondContact O-CB 3.37Å; L92-H95 PolarHBondContact O-N 3.4Å; L92-F96 VanDerWaalsContact O-CD2 3.32Å; L92-F96 WeakPolarHBondContact O-CD2 3.5Å; L92-F96 PolarHBondContact O-N 2.66Å; L92-L103 HydrophobicContact CB-CD1 4.04Å; L92-F117 HydrophobicContact CD1-CE1 3.98Å; L92-F117 HydrophobicContact CD1-CZ 4.36Å; L92-A120 HydrophobicContact CD2-CB 3.98Å; L92-I122 HydrophobicContact CD2-CD1 3.77Å; L92-I122 HydrophobicContact CG-CD1 3.81Å
93	L	92.5	Very high	91	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-55.6	-42.3	174.8	-79	166.7	0	0	0	111.2	I74 V75 V78 T89 F96 K97 W98 R100 L103	I74-L93 HydrophobicContact CG2-CD1 4.21Å; V75-L93 HydrophobicContact CB-CD1 4.47Å; V75-L93 HydrophobicContact CG2-CD1 3.9Å; V78-L93 HydrophobicContact CB-CD1 4.28Å; V78-L93 HydrophobicContact CG1-CD1 4.48Å; V78-L93 HydrophobicContact CG1-CD2 4.42Å; V78-L93 HydrophobicContact CG2-CD1 4.29Å; V78-L93 HydrophobicContact CG2-CD2 4.17Å; T89-L93 HydrophobicContact CG2-CD1 4Å; T89-L93 HydrophobicContact CG2-CG 4.44Å; T89-L93 WeakPolarHBondContact O-CB 3.39Å; T89-L93 WeakPolarHBondContact O-CG 3.27Å; T89-L93 PolarHBondContact O-N 2.69Å; L93-F96 CarbonylContact O-C 3.49Å; L93-F96 PolarHBondContact O-N 2.94Å; L93-K97 PolarHBondContact O-N 3.49Å; L93-W98 HydrophobicContact CB-CD2 4.07Å; L93-W98 HydrophobicContact CB-CE3 3.9Å; L93-W98 HydrophobicContact CB-CH2 4.42Å; L93-W98 HydrophobicContact CB-CZ3 4.1Å; L93-W98 HydrophobicContact CD1-CE3 4.1Å; L93-W98 HydrophobicContact CD1-CZ3 3.81Å; L93-W98 HydrophobicContact CD2-CE3 4.44Å; L93-W98 HydrophobicContact CG-CE3 4.39Å; L93-W98 WeakPolarHBondContact O-CA 3.48Å; L93-W98 PolarHBondContact O-N 3.3Å; L93-R100 HydrophobicContact CD2-CG 4.4Å; L93-L103 HydrophobicContact CD2-CD2 3.63Å; L93-L103 HydrophobicContact CG-CD2 3.91Å
94	N	90.9	Very high	91	Very high	12 Å²	12	50.5 Å²	50.5	6%	0.064	24%	0.239	C	C	.	.	H	α-helix	trans	-63.9	-40.8	175.8	-167.9	65.7	0	0	0	112.8	R90 L91 L92 F96 K97 N197	R90-N94 WeakPolarHBondContact O-CB 3.09Å; R90-N94 PolarHBondContact O-N 3.26Å; L91-N94 WeakPolarHBondContact O-CB 3.4Å; L91-N94 PolarHBondContact O-N 3.33Å; L92-N94 PolarHBondContact O-N 3.28Å; N94-F96 VanDerWaalsContact C-N 3.3Å; N94-F96 PolarHBondContact O-N 3.47Å; N94-K97 PolarHBondContact O-N 2.83Å; N94-N197 PolarHBondContact ND2-OD1 3.3Å
95	H	90.4	Very high	91	Very high	87 Å²	87	55 Å²	55	40%	0.403	26%	0.259	S	S	.	.	H	α-helix	trans	-58.6	-41.5	175.8	-177.4	78.5	0	0	0	112.1	L91 L92 K97 A120	L91-H95 PolarHBondContact O-N 2.99Å; L92-H95 WeakPolarHBondContact O-CB 3.37Å; L92-H95 PolarHBondContact O-N 3.4Å; H95-K97 VanDerWaalsContact C-N 3.25Å; H95-K97 PolarHBondContact O-N 3.45Å; H95-A120 HydrophobicContact CB-CB 4.37Å
96	F	90.6	Very high	90.8	Very high	22 Å²	22	54.2 Å²	54.2	10%	0.096	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	16	176.2	-70.1	-82.8	0	0	0	114	L92 L93 N94 W98 D99 K102 L103 T106 L116	L92-F96 VanDerWaalsContact O-CD2 3.32Å; L92-F96 WeakPolarHBondContact O-CD2 3.5Å; L92-F96 PolarHBondContact O-N 2.66Å; L93-F96 CarbonylContact O-C 3.49Å; L93-F96 PolarHBondContact O-N 2.94Å; N94-F96 VanDerWaalsContact C-N 3.3Å; N94-F96 PolarHBondContact O-N 3.47Å; F96-W98 PolarHBondContact O-N 3.23Å; F96-W98 VanDerWaalsContact O-N 3.14Å; F96-D99 WeakPolarHBondContact O-CB 3.13Å; F96-D99 PolarHBondContact O-N 3Å; F96-K102 HydrophobicContact CD1-CD 4.29Å; F96-K102 HydrophobicContact CD1-CG 3.96Å; F96-K102 HydrophobicContact CE1-CG 4.32Å; F96-L103 HydrophobicContact CB-CB 4.24Å; F96-L103 HydrophobicContact CD2-CB 3.97Å; F96-L103 HydrophobicContact CD2-CD1 3.5Å; F96-L103 VanDerWaalsContact CD2-CD1 3.5Å; F96-L103 HydrophobicContact CD2-CG 4.28Å; F96-L103 HydrophobicContact CE2-CD1 3.52Å; F96-L103 HydrophobicContact CG-CB 4.07Å; F96-L103 HydrophobicContact CG-CD1 4.43Å; F96-L103 HydrophobicContact CZ-CD1 4.47Å; F96-T106 HydrophobicContact CE1-CG2 4.19Å; F96-T106 HydrophobicContact CZ-CG2 3.87Å; F96-L116 HydrophobicContact CE2-CD1 3.83Å; F96-L116 HydrophobicContact CZ-CD1 3.6Å
97	K	89.8	Confident	90.6	Very high	152 Å²	152	50 Å²	50	66%	0.661	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	34.9	-179.1	-56.1	-177.3	179.6	179.7	0	113.3	L93 N94 H95 D99	L93-K97 PolarHBondContact O-N 3.49Å; N94-K97 PolarHBondContact O-N 2.83Å; H95-K97 VanDerWaalsContact C-N 3.25Å; H95-K97 PolarHBondContact O-N 3.45Å; K97-D99 PolarHBondContact O-N 3.26Å
98	W	90.8	Very high	90.5	Very high	24 Å²	24	54.1 Å²	54.1	9%	0.091	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	18.7	-179.3	-59.9	81.3	0	0	0	114.8	M71 I74 V75 R90 L93 F96 R100 F235	M71-W98 HydrophobicContact CG-CH2 3.29Å; M71-W98 HydrophobicContact CG-CZ2 3.93Å; M71-W98 HydrophobicContact CG-CZ3 3.85Å; M71-W98 HydrophobicContact SD-CH2 3.96Å; M71-W98 HydrophobicContact SD-CZ2 4.06Å; I74-W98 HydrophobicContact CB-CZ3 4.49Å; I74-W98 HydrophobicContact CG2-CE3 4.2Å; I74-W98 HydrophobicContact CG2-CZ3 4.18Å; V75-W98 HydrophobicContact CG2-CH2 3.85Å; V75-W98 HydrophobicContact CG2-CZ3 3.92Å; R90-W98 HydrophobicContact CG-CH2 4.44Å; L93-W98 HydrophobicContact CB-CD2 4.07Å; L93-W98 HydrophobicContact CB-CE3 3.9Å; L93-W98 HydrophobicContact CB-CH2 4.42Å; L93-W98 HydrophobicContact CB-CZ3 4.1Å; L93-W98 HydrophobicContact CD1-CE3 4.1Å; L93-W98 HydrophobicContact CD1-CZ3 3.81Å; L93-W98 HydrophobicContact CD2-CE3 4.44Å; L93-W98 HydrophobicContact CG-CE3 4.39Å; L93-W98 WeakPolarHBondContact O-CA 3.48Å; L93-W98 PolarHBondContact O-N 3.3Å; F96-W98 PolarHBondContact O-N 3.23Å; F96-W98 VanDerWaalsContact O-N 3.14Å; W98-R100 PolarHBondContact O-N 3.2Å; W98-F235 AromaticContact CD2-CD2 3.41Å; W98-F235 HydrophobicContact CD2-CD2 3.41Å; W98-F235 VanDerWaalsContact CD2-CD2 3.41Å; W98-F235 AromaticContact CD2-CE2 3.69Å; W98-F235 HydrophobicContact CD2-CE2 3.69Å; W98-F235 AromaticContact CE2-CD2 3.43Å; W98-F235 VanDerWaalsContact CE2-CD2 3.43Å; W98-F235 AromaticContact CE3-CD2 3.71Å; W98-F235 HydrophobicContact CE3-CD2 3.71Å; W98-F235 AromaticContact CE3-CE2 3.55Å; W98-F235 HydrophobicContact CE3-CE2 3.55Å; W98-F235 AromaticContact CG-CD2 3.86Å; W98-F235 HydrophobicContact CG-CD2 3.86Å; W98-F235 HydrophobicContact CG-CE2 4.18Å; W98-F235 HydrophobicContact CH2-CD2 4.05Å; W98-F235 HydrophobicContact CH2-CE2 4.37Å; W98-F235 HydrophobicContact CZ2-CB 4.41Å; W98-F235 AromaticContact CZ2-CD2 3.77Å; W98-F235 HydrophobicContact CZ2-CD2 3.77Å; W98-F235 HydrophobicContact CZ2-CE2 4.49Å; W98-F235 HydrophobicContact CZ2-CG 4.42Å; W98-F235 HydrophobicContact CZ3-CD2 4.01Å; W98-F235 AromaticContact CZ3-CE2 3.91Å; W98-F235 HydrophobicContact CZ3-CE2 3.91Å; W98-F235 AromaticContact NE1-CD2 3.86Å
99	D	89.1	Confident	90.2	Very high	69 Å²	69	59.3 Å²	59.3	37%	0.369	27%	0.272	S	S	.	.			trans	-76.1	104.9	167.3	-167.4	-29.3	0	0	0	109.5	F96 K97 E101 K102 L103	F96-D99 WeakPolarHBondContact O-CB 3.13Å; F96-D99 PolarHBondContact O-N 3Å; K97-D99 PolarHBondContact O-N 3.26Å; D99-E101 PolarHBondContact OD1-N 3.39Å; D99-K102 HydrophobicContact CB-CB 3.97Å; D99-K102 VanDerWaalsContact CG-CB 3.49Å; D99-K102 PolarHBondContact OD1-N 3.16Å; D99-K102 VanDerWaalsContact OD1-N 3.08Å; D99-L103 WeakPolarHBondContact O-CB 3.47Å; D99-L103 PolarHBondContact O-N 3.24Å
100	R	90.7	Very high	89.4	Confident	125 Å²	125	61 Å²	61	47%	0.472	28%	0.283	S	S	.	.	H	α-helix	trans	-68.6	-45.5	-177.1	-64.7	174.5	-66.2	178.3	2.6	110.7	V78 L93 W98 L103 M104	V78-R100 HydrophobicContact CG2-CG 4.19Å; L93-R100 HydrophobicContact CD2-CG 4.4Å; W98-R100 PolarHBondContact O-N 3.2Å; R100-L103 PolarHBondContact O-N 2.8Å; R100-M104 VanDerWaalsContact O-CG 3.23Å; R100-M104 WeakPolarHBondContact O-CG 3.49Å; R100-M104 PolarHBondContact O-N 2.77Å
101	E	89.7	Confident	88.3	Confident	144 Å²	144	70.1 Å²	70.1	67%	0.673	33%	0.327	S	S	*	.	H	α-helix	trans	-63.7	-48.7	-175.3	-70.1	169.7	-166.3	0	0	109.8	D99 L103 M104 E105	D99-E101 PolarHBondContact OD1-N 3.39Å; E101-L103 VanDerWaalsContact C-N 3.31Å; E101-L103 PolarHBondContact O-N 3.18Å; E101-M104 PolarHBondContact O-N 3.18Å; E101-E105 WeakPolarHBondContact O-CG 3.31Å; E101-E105 PolarHBondContact O-N 3.03Å
102	K	90.4	Very high	87.6	Confident	114 Å²	114	73.6 Å²	73.6	50%	0.496	35%	0.345	S	S	.	.	H	α-helix	trans	-60.6	-38.7	177.3	-170	171	-174.8	164.8	0	113.4	F96 D99 T106	F96-K102 HydrophobicContact CD1-CD 4.29Å; F96-K102 HydrophobicContact CD1-CG 3.96Å; F96-K102 HydrophobicContact CE1-CG 4.32Å; D99-K102 HydrophobicContact CB-CB 3.97Å; D99-K102 VanDerWaalsContact CG-CB 3.49Å; D99-K102 PolarHBondContact OD1-N 3.16Å; D99-K102 VanDerWaalsContact OD1-N 3.08Å; K102-T106 WeakPolarHBondContact O-CB 3.48Å; K102-T106 PolarHBondContact O-N 3.2Å; K102-T106 PolarHBondContact O-OG1 3.34Å
103	L	91.3	Very high	87.1	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-62.2	-47.6	173.6	168.7	63.2	0	0	0	110.7	V78 L92 L93 F96 D99 R100 E101 T106 F107	V78-L103 HydrophobicContact CG1-CD2 3.86Å; L92-L103 HydrophobicContact CB-CD1 4.04Å; L93-L103 HydrophobicContact CD2-CD2 3.63Å; L93-L103 HydrophobicContact CG-CD2 3.91Å; F96-L103 HydrophobicContact CB-CB 4.24Å; F96-L103 HydrophobicContact CD2-CB 3.97Å; F96-L103 HydrophobicContact CD2-CD1 3.5Å; F96-L103 VanDerWaalsContact CD2-CD1 3.5Å; F96-L103 HydrophobicContact CD2-CG 4.28Å; F96-L103 HydrophobicContact CE2-CD1 3.52Å; F96-L103 HydrophobicContact CG-CB 4.07Å; F96-L103 HydrophobicContact CG-CD1 4.43Å; F96-L103 HydrophobicContact CZ-CD1 4.47Å; D99-L103 WeakPolarHBondContact O-CB 3.47Å; D99-L103 PolarHBondContact O-N 3.24Å; R100-L103 PolarHBondContact O-N 2.8Å; E101-L103 VanDerWaalsContact C-N 3.31Å; E101-L103 PolarHBondContact O-N 3.18Å; L103-T106 PolarHBondContact O-N 3.4Å; L103-F107 WeakPolarHBondContact O-CB 3.24Å; L103-F107 PolarHBondContact O-N 3.27Å
104	M	89.4	Confident	86.5	Confident	41 Å²	41	82.3 Å²	82.3	20%	0.202	39%	0.386	C	S	.	.	H	α-helix	trans	-64.5	-48.3	-178.2	-62	-47.3	-100.7	0	0	111.6	V78 V81 I82 R100 E101 T106 F107 Y108	V78-M104 HydrophobicContact CG1-SD 4.42Å; V81-M104 HydrophobicContact CB-CE 3.5Å; V81-M104 VanDerWaalsContact CB-CE 3.5Å; V81-M104 HydrophobicContact CG1-CE 3.18Å; V81-M104 HydrophobicContact CG2-CE 4.37Å; I82-M104 HydrophobicContact CG2-CE 3.73Å; I82-M104 HydrophobicContact CG2-SD 3.5Å; I82-M104 VanDerWaalsContact CG2-SD 3.5Å; R100-M104 VanDerWaalsContact O-CG 3.23Å; R100-M104 WeakPolarHBondContact O-CG 3.49Å; R100-M104 PolarHBondContact O-N 2.77Å; E101-M104 PolarHBondContact O-N 3.18Å; M104-T106 PolarHBondContact O-N 3.03Å; M104-F107 PolarHBondContact O-N 3.03Å; M104-Y108 HydrophobicContact CB-CD2 4.43Å; M104-Y108 HydrophobicContact CB-CE2 4.41Å; M104-Y108 HydrophobicContact CE-CE2 3.9Å; M104-Y108 WeakPolarHBondContact O-CD2 3.49Å; M104-Y108 PolarHBondContact O-N 2.94Å; M104-Y108 HydrophobicContact SD-CE2 4.47Å
105	E	89.7	Confident	86.1	Confident	118 Å²	118	86.5 Å²	86.5	55%	0.551	41%	0.405	S	S	*	.	H	α-helix	trans	-54.7	-53.9	176.2	-71.9	174.9	176.4	0	0	110.4	E101 F107 Y108 D109	E101-E105 WeakPolarHBondContact O-CG 3.31Å; E101-E105 PolarHBondContact O-N 3.03Å; E105-F107 VanDerWaalsContact C-N 3.29Å; E105-F107 PolarHBondContact O-N 3.14Å; E105-Y108 PolarHBondContact O-N 3.36Å; E105-D109 WeakPolarHBondContact O-CB 3.36Å; E105-D109 VanDerWaalsContact O-CG 3.23Å; E105-D109 PolarHBondContact O-N 3.05Å
106	T	88.2	Confident	86	Confident	48 Å²	48	83 Å²	83	29%	0.294	39%	0.389	S	S	.	.	H	α-helix	trans	-62.9	-37.1	-178.8	-48.7	0	0	0	0	111.9	F96 K102 L103 M104 S110 L116	F96-T106 HydrophobicContact CE1-CG2 4.19Å; F96-T106 HydrophobicContact CZ-CG2 3.87Å; K102-T106 WeakPolarHBondContact O-CB 3.48Å; K102-T106 PolarHBondContact O-N 3.2Å; K102-T106 PolarHBondContact O-OG1 3.34Å; L103-T106 PolarHBondContact O-N 3.4Å; M104-T106 PolarHBondContact O-N 3.03Å; T106-S110 WeakPolarHBondContact O-CB 3.34Å; T106-S110 PolarHBondContact O-N 3.06Å; T106-S110 VanDerWaalsContact O-N 3.13Å; T106-S110 PolarHBondContact O-OG 3.28Å; T106-L116 HydrophobicContact CG2-CD1 4.12Å
107	F	88.7	Confident	85.9	Confident	13 Å²	13	82.1 Å²	82.1	6%	0.057	39%	0.385	C	S	.	.	H	α-helix	trans	-70	-36.5	-178.2	-177.6	-100.7	0	0	0	113.3	I82 L84 L103 M104 E105 S110 Q113 L116	I82-F107 HydrophobicContact CB-CD1 4.23Å; I82-F107 HydrophobicContact CB-CE1 3.89Å; I82-F107 HydrophobicContact CB-CZ 4.2Å; I82-F107 HydrophobicContact CG2-CD1 3.97Å; I82-F107 HydrophobicContact CG2-CE1 4.14Å; I82-F107 HydrophobicContact CG2-CG 4.47Å; L84-F107 HydrophobicContact CD1-CE2 3.92Å; L84-F107 HydrophobicContact CD1-CZ 4.28Å; L84-F107 HydrophobicContact CG-CZ 4.44Å; L103-F107 WeakPolarHBondContact O-CB 3.24Å; L103-F107 PolarHBondContact O-N 3.27Å; M104-F107 PolarHBondContact O-N 3.03Å; E105-F107 VanDerWaalsContact C-N 3.29Å; E105-F107 PolarHBondContact O-N 3.14Å; F107-S110 PolarHBondContact O-OG 2.74Å; F107-Q113 VanDerWaalsContact CZ-NE2 3.33Å; F107-L116 HydrophobicContact CB-CD2 4.49Å; F107-L116 HydrophobicContact CD2-CD2 4Å
108	Y	87.3	Confident	85.7	Confident	128 Å²	128	78.3 Å²	78.3	50%	0.502	38%	0.382	S	S	.	.	H	α-helix	trans	-90.5	-27.7	179.4	-66.6	-63.5	0	0	0	113.6	V81 M104 E105	V81-Y108 PolarHBondContact O-OH 3.25Å; M104-Y108 HydrophobicContact CB-CD2 4.43Å; M104-Y108 HydrophobicContact CB-CE2 4.41Å; M104-Y108 HydrophobicContact CE-CE2 3.9Å; M104-Y108 WeakPolarHBondContact O-CD2 3.49Å; M104-Y108 PolarHBondContact O-N 2.94Å; M104-Y108 HydrophobicContact SD-CE2 4.47Å; E105-Y108 PolarHBondContact O-N 3.36Å
109	D	84.8	Confident	85.5	Confident	128 Å²	128	83.8 Å²	83.8	68%	0.684	41%	0.407	S	S	*	.	H	α-helix	trans	-82.4	-25.2	178.7	-69.2	-15.7	0	0	0	112.7	E105 Q111	E105-D109 WeakPolarHBondContact O-CB 3.36Å; E105-D109 VanDerWaalsContact O-CG 3.23Å; E105-D109 PolarHBondContact O-N 3.05Å; D109-Q111 PolarHBondContact O-N 3.01Å; D109-Q111 VanDerWaalsContact O-N 3.1Å
110	S	76.4	Confident	85.4	Confident	34 Å²	34	80.9 Å²	80.9	24%	0.238	39%	0.392	C	S	.	.			trans	-66.9	112.8	179	47.6	0	0	0	0	110.8	T106 F107 D112	T106-S110 WeakPolarHBondContact O-CB 3.34Å; T106-S110 PolarHBondContact O-N 3.06Å; T106-S110 VanDerWaalsContact O-N 3.13Å; T106-S110 PolarHBondContact O-OG 3.28Å; F107-S110 PolarHBondContact O-OG 2.74Å; S110-D112 PolarHBondContact O-N 3.27Å
111	Q	70.6	Confident	85.2	Confident	207 Å²	207	75.6 Å²	75.6	97%	0.967	38%	0.376	S	S	*	.	S	Bend	trans	-63.5	-24.4	170.2	-71.5	-178.3	-6.9	0	0	112	D109	D109-Q111 PolarHBondContact O-N 3.01Å; D109-Q111 VanDerWaalsContact O-N 3.1Å
112	D	76.3	Confident	85.2	Confident	80 Å²	80	69.4 Å²	69.4	43%	0.428	35%	0.348	S	S	.	.			trans	-123.3	94.5	178.2	-168.6	-9.9	0	0	0	110.9	S110 E114 E115	S110-D112 PolarHBondContact O-N 3.27Å; D112-E114 PolarHBondContact O-N 2.84Å; D112-E114 WeakPolarHBondContact OD1-CA 3.33Å; D112-E114 VanDerWaalsContact OD1-CB 3.24Å; D112-E114 WeakPolarHBondContact OD1-CB 3.36Å; D112-E114 PolarHBondContact OD1-N 3.36Å; D112-E115 HydrophobicContact CB-CB 4.45Å; D112-E115 PolarHBondContact O-N 2.92Å; D112-E115 PolarHBondContact OD1-N 3.33Å
113	Q	81.1	Confident	84.7	Confident	58 Å²	58	65.9 Å²	65.9	27%	0.271	34%	0.336	S	S	.	.	H	α-helix	trans	-63.4	-27.2	173.9	-69	-173.1	-26.3	0	0	112	F107 E115 L116 F117	F107-Q113 VanDerWaalsContact CZ-NE2 3.33Å; Q113-E115 VanDerWaalsContact C-N 3.29Å; Q113-E115 PolarHBondContact O-N 2.97Å; Q113-L116 WeakPolarHBondContact O-CB 3.42Å; Q113-L116 PolarHBondContact O-N 3.35Å; Q113-F117 HydrophobicContact CB-CD2 4.38Å; Q113-F117 HydrophobicContact CB-CE2 4.26Å; Q113-F117 WeakPolarHBondContact O-CD2 3.47Å; Q113-F117 PolarHBondContact O-N 3.28Å; Q113-F117 VanDerWaalsContact O-N 3.08Å
114	E	79.5	Confident	84.1	Confident	124 Å²	124	67.7 Å²	67.7	58%	0.579	34%	0.344	S	S	*	.	H	α-helix	trans	-64.4	-37.2	-179.2	-60.7	-173.3	168.7	0	0	111.1	D112 L116 F117 A118	D112-E114 PolarHBondContact O-N 2.84Å; D112-E114 WeakPolarHBondContact OD1-CA 3.33Å; D112-E114 VanDerWaalsContact OD1-CB 3.24Å; D112-E114 WeakPolarHBondContact OD1-CB 3.36Å; D112-E114 PolarHBondContact OD1-N 3.36Å; E114-L116 VanDerWaalsContact C-N 3.33Å; E114-L116 PolarHBondContact O-N 2.88Å; E114-F117 PolarHBondContact O-N 3.3Å; E114-A118 WeakPolarHBondContact O-CB 3.43Å; E114-A118 PolarHBondContact O-N 3.32Å
115	E	84.5	Confident	83.3	Confident	101 Å²	101	67.1 Å²	67.1	47%	0.472	34%	0.343	S	S	.	.	H	α-helix	trans	-63.1	-39.8	175	-166.7	-176.2	-179.8	0	0	111.7	D112 Q113 A118 K119	D112-E115 HydrophobicContact CB-CB 4.45Å; D112-E115 PolarHBondContact O-N 2.92Å; D112-E115 PolarHBondContact OD1-N 3.33Å; Q113-E115 VanDerWaalsContact C-N 3.29Å; Q113-E115 PolarHBondContact O-N 2.97Å; E115-A118 PolarHBondContact O-N 3.24Å; E115-K119 VanDerWaalsContact CD-NZ 3.32Å; E115-K119 HydrophobicContact CG-CD 4.2Å; E115-K119 HydrophobicContact CG-CG 4.48Å; E115-K119 WeakPolarHBondContact O-CB 3.41Å; E115-K119 VanDerWaalsContact O-CG 3.32Å; E115-K119 WeakPolarHBondContact O-CG 3.44Å; E115-K119 PolarHBondContact O-N 2.92Å; E115-K119 WeakPolarHBondContact OE1-CE 3.36Å; E115-K119 IonicContact OE1-NZ 3.14Å; E115-K119 PolarHBondContact OE1-NZ 3.36Å; E115-K119 IonicContact OE2-NZ 2.74Å
116	L	87.4	Confident	82.2	Confident	13 Å²	13	67.4 Å²	67.4	7%	0.068	34%	0.344	C	S	.	.	H	α-helix	trans	-62.1	-50.2	176.6	175.1	63.9	0	0	0	111.3	F96 T106 F107 Q113 E114 A118 K119 A120	F96-L116 HydrophobicContact CE2-CD1 3.83Å; F96-L116 HydrophobicContact CZ-CD1 3.6Å; T106-L116 HydrophobicContact CG2-CD1 4.12Å; F107-L116 HydrophobicContact CB-CD2 4.49Å; F107-L116 HydrophobicContact CD2-CD2 4Å; Q113-L116 WeakPolarHBondContact O-CB 3.42Å; Q113-L116 PolarHBondContact O-N 3.35Å; E114-L116 VanDerWaalsContact C-N 3.33Å; E114-L116 PolarHBondContact O-N 2.88Å; L116-A118 VanDerWaalsContact C-N 3.35Å; L116-A118 PolarHBondContact O-N 3.28Å; L116-K119 PolarHBondContact O-N 2.86Å; L116-A120 WeakPolarHBondContact O-CB 3.35Å; L116-A120 PolarHBondContact O-N 2.69Å
117	F	89.2	Confident	81	Confident	3 Å²	3	68.4 Å²	68.4	1%	0.013	35%	0.35	C	S	.	.	H	α-helix	trans	-63.7	-40.8	178.2	-76.4	-74.2	0	0	0	111.7	L84 V88 L92 Q113 E114 A120 G121 I122 K124	L84-F117 HydrophobicContact CD1-CE1 4.09Å; L84-F117 HydrophobicContact CD1-CZ 3.63Å; L84-F117 HydrophobicContact CD2-CZ 4.24Å; V88-F117 HydrophobicContact CG1-CD1 4.49Å; V88-F117 HydrophobicContact CG1-CE1 3.66Å; L92-F117 HydrophobicContact CD1-CE1 3.98Å; L92-F117 HydrophobicContact CD1-CZ 4.36Å; Q113-F117 HydrophobicContact CB-CD2 4.38Å; Q113-F117 HydrophobicContact CB-CE2 4.26Å; Q113-F117 WeakPolarHBondContact O-CD2 3.47Å; Q113-F117 PolarHBondContact O-N 3.28Å; Q113-F117 VanDerWaalsContact O-N 3.08Å; E114-F117 PolarHBondContact O-N 3.3Å; F117-A120 CarbonylContact O-C 3.6Å; F117-A120 PolarHBondContact O-N 3.2Å; F117-G121 PolarHBondContact O-N 3.26Å; F117-I122 CarbonylContact C-O 3.54Å; F117-I122 HydrophobicContact CD1-CB 4.12Å; F117-I122 HydrophobicContact CD1-CG2 4.11Å; F117-I122 PolarHBondContact O-N 2.84Å; F117-K124 HydrophobicContact CD2-CB 4.08Å; F117-K124 HydrophobicContact CD2-CD 4.37Å; F117-K124 HydrophobicContact CD2-CG 3.91Å; F117-K124 HydrophobicContact CE2-CB 4.49Å; F117-K124 HydrophobicContact CE2-CD 4.44Å; F117-K124 HydrophobicContact CE2-CG 3.9Å; F117-K124 HydrophobicContact CG-CB 4.24Å; F117-K124 HydrophobicContact CZ-CG 4.43Å
118	A	85.3	Confident	79.3	Confident	73 Å²	73	72.8 Å²	72.8	60%	0.603	37%	0.372	S	S	*	.	H	α-helix	trans	-63.8	-44.9	176.9	0	0	0	0	0	112.1	E114 E115 L116 A120 G121	E114-A118 WeakPolarHBondContact O-CB 3.43Å; E114-A118 PolarHBondContact O-N 3.32Å; E115-A118 PolarHBondContact O-N 3.24Å; L116-A118 VanDerWaalsContact C-N 3.35Å; L116-A118 PolarHBondContact O-N 3.28Å; A118-A120 VanDerWaalsContact C-N 3.31Å; A118-A120 PolarHBondContact O-N 3.25Å; A118-G121 PolarHBondContact O-N 3.42Å; A118-G121 VanDerWaalsContact O-N 3.08Å
119	K	86.5	Confident	77.2	Confident	139 Å²	139	72 Å²	72	60%	0.604	39%	0.386	S	S	*	.	H	α-helix	trans	-64.4	-35.4	175.3	-77.2	177.6	-178.6	166.1	0	112.6	E115 L116 G121	E115-K119 VanDerWaalsContact CD-NZ 3.32Å; E115-K119 HydrophobicContact CG-CD 4.2Å; E115-K119 HydrophobicContact CG-CG 4.48Å; E115-K119 WeakPolarHBondContact O-CB 3.41Å; E115-K119 VanDerWaalsContact O-CG 3.32Å; E115-K119 WeakPolarHBondContact O-CG 3.44Å; E115-K119 PolarHBondContact O-N 2.92Å; E115-K119 WeakPolarHBondContact OE1-CE 3.36Å; E115-K119 IonicContact OE1-NZ 3.14Å; E115-K119 PolarHBondContact OE1-NZ 3.36Å; E115-K119 IonicContact OE2-NZ 2.74Å; L116-K119 PolarHBondContact O-N 2.86Å; K119-G121 PolarHBondContact O-N 3.3Å
120	A	87	Confident	75	Confident	7 Å²	7	69.4 Å²	69.4	6%	0.058	38%	0.377	C	S	.	.	H	α-helix	trans	-76.1	-11.9	174.7	0	0	0	0	0	113.1	L92 H95 L116 F117 A118 I122 L208	L92-A120 HydrophobicContact CD2-CB 3.98Å; H95-A120 HydrophobicContact CB-CB 4.37Å; L116-A120 WeakPolarHBondContact O-CB 3.35Å; L116-A120 PolarHBondContact O-N 2.69Å; F117-A120 CarbonylContact O-C 3.6Å; F117-A120 PolarHBondContact O-N 3.2Å; A118-A120 VanDerWaalsContact C-N 3.31Å; A118-A120 PolarHBondContact O-N 3.25Å; A120-I122 HydrophobicContact CB-CD1 3.65Å; A120-I122 HydrophobicContact CB-CG1 3.98Å; A120-L208 VanDerWaalsContact O-CD1 3.31Å; A120-L208 WeakPolarHBondContact O-CD1 3.18Å
121	G	87	Confident	73.1	Confident	14 Å²	14	72.6 Å²	72.6	14%	0.144	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	37.5	-176.3	0	0	0	0	0	112.8	F117 A118 K119 L207 L208	F117-G121 PolarHBondContact O-N 3.26Å; A118-G121 PolarHBondContact O-N 3.42Å; A118-G121 VanDerWaalsContact O-N 3.08Å; K119-G121 PolarHBondContact O-N 3.3Å; G121-L207 WeakPolarHBondContact O-CA 3.36Å; G121-L207 WeakPolarHBondContact O-CD1 3.28Å; G121-L208 WeakPolarHBondContact O-CB 3.49Å; G121-L208 WeakPolarHBondContact O-CG 3.25Å; G121-L208 PolarHBondContact O-N 3.17Å
122	I	88.1	Confident	71.1	Confident	15 Å²	15	66.8 Å²	66.8	8%	0.077	38%	0.378	C	S	.	.			trans	-123	142.7	-175	-55	166.7	0	0	0	109.4	V88 L91 L92 F117 A120	V88-I122 HydrophobicContact CG1-CG2 4.02Å; V88-I122 HydrophobicContact CG2-CG2 4.16Å; L91-I122 HydrophobicContact CB-CD1 3.48Å; L91-I122 VanDerWaalsContact CB-CD1 3.48Å; L91-I122 HydrophobicContact CB-CG1 4.05Å; L91-I122 HydrophobicContact CD1-CD1 4.49Å; L91-I122 HydrophobicContact CD1-CG1 4.21Å; L92-I122 HydrophobicContact CD2-CD1 3.77Å; L92-I122 HydrophobicContact CG-CD1 3.81Å; F117-I122 CarbonylContact C-O 3.54Å; F117-I122 HydrophobicContact CD1-CB 4.12Å; F117-I122 HydrophobicContact CD1-CG2 4.11Å; F117-I122 PolarHBondContact O-N 2.84Å; A120-I122 HydrophobicContact CB-CD1 3.65Å; A120-I122 HydrophobicContact CB-CG1 3.98Å
123	V	81.2	Confident	69.2	Low	39 Å²	39	70.5 Å²	70.5	24%	0.236	39%	0.387	C	S	.	.			trans	-77.9	130.9	171.1	-176.2	0	0	0	0	109.4	M128 L207	V123-M128 HydrophobicContact CG1-CG 3.88Å; V123-L207 HydrophobicContact CB-CD1 4.36Å; V123-L207 HydrophobicContact CG2-CD1 3.35Å; V123-L207 HydrophobicContact CG2-CD2 3.73Å; V123-L207 HydrophobicContact CG2-CG 4.21Å
124	K	77.3	Confident	66.7	Low	39 Å²	39	75.9 Å²	75.9	17%	0.17	41%	0.412	C	S	.	.			trans	-62.7	131.8	172.7	-167.8	-175.4	-169.1	-159.8	0	109.5	F117 E126 T127	F117-K124 HydrophobicContact CD2-CB 4.08Å; F117-K124 HydrophobicContact CD2-CD 4.37Å; F117-K124 HydrophobicContact CD2-CG 3.91Å; F117-K124 HydrophobicContact CE2-CB 4.49Å; F117-K124 HydrophobicContact CE2-CD 4.44Å; F117-K124 HydrophobicContact CE2-CG 3.9Å; F117-K124 HydrophobicContact CG-CB 4.24Å; F117-K124 HydrophobicContact CZ-CG 4.43Å; K124-E126 VanDerWaalsContact CE-OE2 3.25Å; K124-E126 WeakPolarHBondContact CE-OE2 3.4Å; K124-E126 IonicContact NZ-OE2 2.63Å; K124-E126 PolarHBondContact NZ-OE2 3.33Å; K124-E126 PolarHBondContact O-N 2.85Å; K124-T127 WeakPolarHBondContact CB-OG1 3.26Å; K124-T127 PolarHBondContact O-N 2.73Å; K124-T127 VanDerWaalsContact O-N 3.09Å; K124-T127 PolarHBondContact O-OG1 3.49Å
125	P	73.2	Confident	64.2	Low	28 Å²	28	79.1 Å²	79.1	18%	0.182	43%	0.427	C	S	.	.	H	α-helix	trans	-56.7	-35.4	-176.4	-26.6	33.2	0	0	0	114.3	L84 P85 V88 T127 M128	L84-P125 HydrophobicContact CD2-CG 4.22Å; P85-P125 HydrophobicContact CG-CB 4.12Å; P85-P125 HydrophobicContact CG-CG 3.99Å; V88-P125 HydrophobicContact CG2-CG 4.28Å; P125-T127 VanDerWaalsContact C-N 3.29Å; P125-T127 PolarHBondContact O-N 2.86Å; P125-M128 WeakPolarHBondContact O-CB 3.28Å; P125-M128 PolarHBondContact O-N 2.76Å
126	E	67.5	Low	61.6	Low	125 Å²	125	80.4 Å²	80.4	58%	0.584	43%	0.428	S	S	*	.	H	α-helix	trans	-64.5	-33.1	180	-63	175.3	168.9	0	0	112.6	K124 M128 S129 S130	K124-E126 VanDerWaalsContact CE-OE2 3.25Å; K124-E126 WeakPolarHBondContact CE-OE2 3.4Å; K124-E126 IonicContact NZ-OE2 2.63Å; K124-E126 PolarHBondContact NZ-OE2 3.33Å; K124-E126 PolarHBondContact O-N 2.85Å; E126-M128 VanDerWaalsContact C-N 3.25Å; E126-M128 PolarHBondContact O-N 3.23Å; E126-S129 PolarHBondContact O-N 3.16Å; E126-S130 PolarHBondContact O-N 3.12Å; E126-S130 PolarHBondContact O-OG 2.76Å
127	T	62.2	Low	58.8	Low	68 Å²	68	84.6 Å²	84.6	42%	0.417	46%	0.456	S	S	.	.	H	α-helix	trans	-67.3	-24.4	173.4	14.8	0	0	0	0	112.9	K124 P125 S130 V131	K124-T127 WeakPolarHBondContact CB-OG1 3.26Å; K124-T127 PolarHBondContact O-N 2.73Å; K124-T127 VanDerWaalsContact O-N 3.09Å; K124-T127 PolarHBondContact O-OG1 3.49Å; P125-T127 VanDerWaalsContact C-N 3.29Å; P125-T127 PolarHBondContact O-N 2.86Å; T127-S130 WeakPolarHBondContact CA-OG 3.45Å; T127-S130 PolarHBondContact O-OG 2.85Å; T127-V131 WeakPolarHBondContact O-CG2 3.35Å
128	M	53.4	Low	56	Low	106 Å²	106	93.9 Å²	93.9	52%	0.522	50%	0.499	S	S	.	.	H	α-helix	trans	-75	-28.5	176.1	-57.7	-157.4	81	0	0	112.3	V123 P125 E126 S130	V123-M128 HydrophobicContact CG1-CG 3.88Å; P125-M128 WeakPolarHBondContact O-CB 3.28Å; P125-M128 PolarHBondContact O-N 2.76Å; E126-M128 VanDerWaalsContact C-N 3.25Å; E126-M128 PolarHBondContact O-N 3.23Å; M128-S130 VanDerWaalsContact C-N 3.35Å
129	S	43	Very low	53.3	Low	112 Å²	112	96.6 Å²	96.6	78%	0.783	51%	0.508	S	S	*	.	H	α-helix	trans	-78.6	-20.8	177.9	-58.5	0	0	0	0	112.9	E126	E126-S129 PolarHBondContact O-N 3.16Å
130	S	38.2	Very low	50.6	Low	72 Å²	72	93.3 Å²	93.3	50%	0.503	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	7.8	-175.8	40.4	0	0	0	0	114.1	E126 T127 M128 S132	E126-S130 PolarHBondContact O-N 3.12Å; E126-S130 PolarHBondContact O-OG 2.76Å; T127-S130 WeakPolarHBondContact CA-OG 3.45Å; T127-S130 PolarHBondContact O-OG 2.85Å; M128-S130 VanDerWaalsContact C-N 3.35Å; S130-S132 PolarHBondContact O-N 3.48Å; S130-S132 PolarHBondContact O-OG 2.89Å
131	V	36	Very low	47.8	Very low	101 Å²	101	99 Å²	99	61%	0.612	55%	0.546	S	S	*	.			trans	-76.3	59.3	165.2	-161.6	0	0	0	0	109.8	T127	T127-V131 WeakPolarHBondContact O-CG2 3.35Å
132	S	29.8	Very low	45.1	Very low	86 Å²	86	103.4 Å²	103.4	60%	0.601	58%	0.575	S	S	*	*			trans	-65.5	136.1	153.9	44	0	0	0	0	108.4	S130 E134	S130-S132 PolarHBondContact O-N 3.48Å; S130-S132 PolarHBondContact O-OG 2.89Å; S132-E134 PolarHBondContact O-N 2.75Å
133	Y	35.1	Very low	42.4	Very low	157 Å²	157	104.7 Å²	104.7	62%	0.616	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	28.9	-168.6	-131.1	-99.1	0	0	0	117	P145 L146	Y133-P145 HydrophobicContact CE1-CB 4.38Å; Y133-L146 WeakPolarHBondContact OH-CD1 3.32Å; Y133-L146 PolarHBondContact OH-N 2.79Å; Y133-L146 VanDerWaalsContact OH-N 3.15Å
134	E	28.5	Very low	39.9	Very low	171 Å²	171	109.2 Å²	109.2	80%	0.799	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.2	-1.3	-160.8	-68.4	-169.3	162.7	0	0	117	S132	S132-E134 PolarHBondContact O-N 2.75Å
135	Q	27.8	Very low	37.8	Very low	193 Å²	193	111 Å²	111	90%	0.902	63%	0.626	S	S	*	*			trans	-113.8	74.3	174	-69.7	-172.6	-0.5	0	0	112
136	R	29.3	Very low	36.2	Very low	128 Å²	128	114.7 Å²	114.7	48%	0.483	64%	0.643	S	S	.	*			trans	-97	121.8	166.8	-162.8	179.7	-172.6	170.9	4.8	108.5	E138 S142 A143	R136-E138 PolarHBondContact O-N 3.02Å; R136-S142 PolarHBondContact NH2-O 2.9Å; R136-S142 VanDerWaalsContact NH2-O 3.09Å; R136-A143 PolarHBondContact NH1-O 3.21Å
137	P	28.8	Very low	34.8	Very low	101 Å²	101	113.8 Å²	113.8	66%	0.656	65%	0.651	S	S	*	*			trans	-63.1	131.4	167.7	-14.2	27.6	0	0	0	108.9	T139	P137-T139 PolarHBondContact O-N 3.24Å
138	E	31.4	Very low	33.5	Very low	198 Å²	198	120 Å²	120	93%	0.925	67%	0.672	S	S	*	*	S	Bend	trans	-67	23.4	-175.3	-63.8	-172.6	150.6	0	0	115	R136	R136-E138 PolarHBondContact O-N 3.02Å
139	T	28	Very low	32.8	Very low	130 Å²	130	119.1 Å²	119.1	80%	0.798	67%	0.668	S	S	*	*			trans	-126.2	52.1	-177.7	61.4	0	0	0	0	112	P137	P137-T139 PolarHBondContact O-N 3.24Å
140	A	29.1	Very low	33.1	Very low	70 Å²	70	121 Å²	121	58%	0.579	67%	0.674	S	S	*	*	S	Bend	trans	-160.1	112.1	154.9	0	0	0	0	0	108.4	S142	A140-S142 PolarHBondContact O-N 3.41Å
141	S	28.8	Very low	34.5	Very low	126 Å²	126	119.3 Å²	119.3	88%	0.881	66%	0.663	S	S	*	*			trans	-44.8	123.2	179.4	-78.6	0	0	0	0	113.2
142	S	30.5	Very low	36.8	Very low	107 Å²	107	122.1 Å²	122.1	75%	0.748	66%	0.662	S	S	*	*			trans	66.8	119.8	154.5	-167.4	0	0	0	0	118.6	R136 A140	R136-S142 PolarHBondContact NH2-O 2.9Å; R136-S142 VanDerWaalsContact NH2-O 3.09Å; A140-S142 PolarHBondContact O-N 3.41Å
143	A	30.8	Very low	39.5	Very low	42 Å²	42	121.6 Å²	121.6	35%	0.347	65%	0.648	S	S	.	*			trans	-177	119.6	142.7	0	0	0	0	0	110.1	R136	R136-A143 PolarHBondContact NH1-O 3.21Å
144	L	29.9	Very low	42.2	Very low	134 Å²	134	119.8 Å²	119.8	70%	0.702	65%	0.645	S	S	*	*			trans	-85.2	177.7	171.7	-84.9	159.1	0	0	0	110.2
145	P	33.3	Very low	45.3	Very low	77 Å²	77	111.6 Å²	111.6	50%	0.5	61%	0.607	S	S	.	*			trans	-63.1	135.1	-163.2	-17.7	29.4	0	0	0	114.6	Y133 S147	Y133-P145 HydrophobicContact CE1-CB 4.38Å; P145-S147 PolarHBondContact O-N 3.41Å
146	L	39.6	Very low	48.4	Very low	104 Å²	104	109.7 Å²	109.7	55%	0.545	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.7	48.2	179.5	-95.7	88.8	0	0	0	115.1	Y133 Y153	Y133-L146 WeakPolarHBondContact OH-CD1 3.32Å; Y133-L146 PolarHBondContact OH-N 2.79Å; Y133-L146 VanDerWaalsContact OH-N 3.15Å; L146-Y153 WeakPolarHBondContact CD1-OH 3.2Å; L146-Y153 HydrophobicContact CD2-CE2 4.42Å; L146-Y153 VanDerWaalsContact CD2-OH 3.26Å; L146-Y153 WeakPolarHBondContact CD2-OH 3.28Å; L146-Y153 VanDerWaalsContact CG-OH 3.27Å; L146-Y153 WeakPolarHBondContact CG-OH 3.5Å
147	S	38	Very low	51.5	Low	107 Å²	107	107.5 Å²	107.5	75%	0.748	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134	6.5	169.1	97	0	0	0	0	115	P145	P145-S147 PolarHBondContact O-N 3.41Å
148	K	35.1	Very low	54.7	Low	198 Å²	198	105.9 Å²	105.9	86%	0.861	59%	0.585	S	S	*	*	S	Bend	trans	-144.9	25.3	174	-77.2	-170.3	179.4	174.2	0	114.9
149	M	37.3	Very low	57.6	Low	88 Å²	88	102.3 Å²	102.3	43%	0.433	57%	0.571	S	S	.	*			trans	-119.3	117.2	-179.7	-91.9	162.3	71.7	0	0	112.5	S151	M149-S151 PolarHBondContact O-N 3.44Å
150	T	49.1	Very low	60.7	Low	150 Å²	150	97.1 Å²	97.1	92%	0.92	54%	0.544	S	S	*	.			trans	-72	31.9	164.7	32.8	0	0	0	0	112.4
151	S	69.2	Low	63.7	Low	37 Å²	37	97.2 Å²	97.2	26%	0.259	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-85.9	118	-179.3	51.9	0	0	0	0	110.2	M149	M149-S151 PolarHBondContact O-N 3.44Å
152	R	82.7	Confident	66.7	Low	161 Å²	161	94.2 Å²	94.2	61%	0.608	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-70.3	137.5	168.6	-58.4	174.8	79	113.6	0.7	108.5	T161 F162	R152-T161 PolarHBondContact NE-O 3.43Å; R152-T161 PolarHBondContact NH2-O 2.9Å; R152-F162 CarbonylContact C-O 3.57Å; R152-F162 WeakPolarHBondContact CA-O 3.33Å
153	Y	86.8	Confident	69.7	Low	74 Å²	74	91.6 Å²	91.6	29%	0.29	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	144.8	174.4	-65.4	-84.2	0	0	0	110.1	L146 T161 F162 P164	L146-Y153 WeakPolarHBondContact CD1-OH 3.2Å; L146-Y153 HydrophobicContact CD2-CE2 4.42Å; L146-Y153 VanDerWaalsContact CD2-OH 3.26Å; L146-Y153 WeakPolarHBondContact CD2-OH 3.28Å; L146-Y153 VanDerWaalsContact CG-OH 3.27Å; L146-Y153 WeakPolarHBondContact CG-OH 3.5Å; Y153-T161 CarbonylContact O-C 3.41Å; Y153-T161 VanDerWaalsContact O-CA 3.28Å; Y153-T161 WeakPolarHBondContact O-CA 3.09Å; Y153-F162 PolarHBondContact N-O 2.95Å; Y153-F162 PolarHBondContact O-N 3.37Å; Y153-P164 HydrophobicContact CD2-CB 4.42Å; Y153-P164 HydrophobicContact CD2-CG 4.38Å; Y153-P164 HydrophobicContact CE2-CB 4.04Å; Y153-P164 HydrophobicContact CE2-CG 3.91Å
154	E	91.8	Very high	72.3	Confident	119 Å²	119	92.6 Å²	92.6	56%	0.556	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	133.3	174.5	-169.2	174.5	168.2	0	0	110.4	G160 T161 M167	E154-G160 WeakPolarHBondContact CA-O 3.48Å; E154-T161 HydrophobicContact CB-CG2 4.36Å; E154-M167 VanDerWaalsContact O-CE 3.28Å; E154-M167 WeakPolarHBondContact O-CE 3.31Å
155	C	95.1	Very high	75.1	Confident	0 Å²	0	92.6 Å²	92.6	0%	0	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-86.5	120.8	174.5	176.3	0	0	0	0	109.9	I157 L159 G160 F162 M167 C177	C155-I157 PolarHBondContact O-N 2.59Å; C155-I157 VanDerWaalsContact O-N 3.17Å; C155-L159 WeakPolarHBondContact O-CA 3.5Å; C155-L159 PolarHBondContact O-N 2.99Å; C155-G160 PolarHBondContact N-O 3.04Å; C155-F162 HydrophobicContact CB-CD2 4.04Å; C155-F162 HydrophobicContact CB-CE2 3.95Å; C155-M167 HydrophobicContact CB-CE 4.25Å; C155-M167 HydrophobicContact CB-SD 4.3Å; C155-C177 HydrophobicContact CB-CB 3.98Å; C155-C177 PolarHBondContact SG-N 3.39Å
156	E	92	Very high	77.8	Confident	152 Å²	152	89.7 Å²	89.7	71%	0.71	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-13.5	-177.6	-58.8	-173.9	163.3	0	0	114.4	F176	E156-F176 HydrophobicContact CB-CE1 4.16Å
157	I	94.2	Very high	80.3	Confident	83 Å²	83	86.1 Å²	86.1	43%	0.426	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-48	178.6	-63.2	172.7	0	0	0	111.5	C155 F176 C180 A201	C155-I157 PolarHBondContact O-N 2.59Å; C155-I157 VanDerWaalsContact O-N 3.17Å; I157-F176 HydrophobicContact CD1-CB 3.94Å; I157-F176 HydrophobicContact CD1-CD1 3.62Å; I157-F176 HydrophobicContact CD1-CD2 3.78Å; I157-F176 HydrophobicContact CD1-CE1 4.04Å; I157-F176 HydrophobicContact CD1-CE2 4.2Å; I157-F176 HydrophobicContact CD1-CG 3.48Å; I157-F176 VanDerWaalsContact CD1-CG 3.48Å; I157-F176 HydrophobicContact CD1-CZ 4.31Å; I157-F176 HydrophobicContact CG1-CD1 3.63Å; I157-F176 HydrophobicContact CG1-CE1 3.88Å; I157-F176 HydrophobicContact CG1-CG 4.04Å; I157-F176 HydrophobicContact CG1-CZ 4.5Å; I157-C180 HydrophobicContact CB-CB 4.02Å; I157-C180 HydrophobicContact CD1-CB 3.92Å; I157-C180 HydrophobicContact CG2-CB 3.99Å; I157-A201 HydrophobicContact CD1-CB 4.13Å
158	C	95.7	Very high	82.9	Confident	66 Å²	66	82.8 Å²	82.8	45%	0.446	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-4.2	-176.7	69.2	0	0	0	0	114.5	G160 C180	C158-G160 PolarHBondContact O-N 3.14Å; C158-G160 VanDerWaalsContact O-N 3.13Å; C158-C180 VanDerWaalsContact CB-SG 3.57Å; C158-C180 VanDerWaalsContact SG-SG 3.62Å
159	L	93	Very high	85.6	Confident	123 Å²	123	76 Å²	76	64%	0.644	41%	0.411	S	S	*	.			trans	58.6	20	-176.8	-49.9	177.2	0	0	0	113.8	C155	C155-L159 WeakPolarHBondContact O-CA 3.5Å; C155-L159 PolarHBondContact O-N 2.99Å
160	G	92.1	Very high	88	Confident	22 Å²	22	72.2 Å²	72.2	23%	0.227	39%	0.393	C	S	.	.			trans	-87	150.7	176	0	0	0	0	0	112.1	E154 C155 C158 F162	E154-G160 WeakPolarHBondContact CA-O 3.48Å; C155-G160 PolarHBondContact N-O 3.04Å; C158-G160 PolarHBondContact O-N 3.14Å; C158-G160 VanDerWaalsContact O-N 3.13Å; G160-F162 VanDerWaalsContact C-CE2 3.47Å; G160-F162 VanDerWaalsContact O-CD2 3.26Å; G160-F162 WeakPolarHBondContact O-CD2 3.44Å; G160-F162 WeakPolarHBondContact O-CE2 3.06Å
161	T	93.2	Very high	89.6	Confident	71 Å²	71	66.6 Å²	66.6	44%	0.436	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	121.9	176.7	56.3	0	0	0	0	112.1	R152 Y153 E154	R152-T161 PolarHBondContact NE-O 3.43Å; R152-T161 PolarHBondContact NH2-O 2.9Å; Y153-T161 CarbonylContact O-C 3.41Å; Y153-T161 VanDerWaalsContact O-CA 3.28Å; Y153-T161 WeakPolarHBondContact O-CA 3.09Å; E154-T161 HydrophobicContact CB-CG2 4.36Å
162	F	92.5	Very high	90.5	Very high	64 Å²	64	66.6 Å²	66.6	28%	0.281	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	147.7	-174.2	-61.5	-87.5	0	0	0	111.2	R152 Y153 C155 G160 M167 C177	R152-F162 CarbonylContact C-O 3.57Å; R152-F162 WeakPolarHBondContact CA-O 3.33Å; Y153-F162 PolarHBondContact N-O 2.95Å; Y153-F162 PolarHBondContact O-N 3.37Å; C155-F162 HydrophobicContact CB-CD2 4.04Å; C155-F162 HydrophobicContact CB-CE2 3.95Å; G160-F162 VanDerWaalsContact C-CE2 3.47Å; G160-F162 VanDerWaalsContact O-CD2 3.26Å; G160-F162 WeakPolarHBondContact O-CD2 3.44Å; G160-F162 WeakPolarHBondContact O-CE2 3.06Å; F162-M167 HydrophobicContact CB-CG 4.11Å; F162-M167 HydrophobicContact CB-SD 3.98Å; F162-M167 HydrophobicContact CD2-SD 4.18Å; F162-M167 HydrophobicContact CG-SD 4.42Å; F162-C177 HydrophobicContact CD1-CB 4.11Å; F162-C177 HydrophobicContact CD2-CB 3.37Å; F162-C177 HydrophobicContact CE1-CB 4.16Å; F162-C177 HydrophobicContact CE2-CB 3.43Å; F162-C177 VanDerWaalsContact CE2-CB 3.43Å; F162-C177 VanDerWaalsContact CE2-SG 3.6Å; F162-C177 HydrophobicContact CG-CB 3.73Å; F162-C177 HydrophobicContact CZ-CB 3.84Å
163	P	91.7	Very high	90.8	Very high	51 Å²	51	65.1 Å²	65.1	33%	0.331	37%	0.368	S	S	.	.			trans	-64.3	164.1	168.5	32.4	-37.1	0	0	0	110.9	D165 G166	P163-D165 VanDerWaalsContact C-N 3.25Å; P163-D165 WeakPolarHBondContact CB-OD1 3.26Å; P163-D165 WeakPolarHBondContact CG-OD1 3.03Å; P163-D165 PolarHBondContact O-N 3.49Å; P163-G166 WeakPolarHBondContact O-CA 3.33Å; P163-G166 PolarHBondContact O-N 3.17Å
164	P	87.2	Confident	91.1	Very high	63 Å²	63	64.8 Å²	64.8	41%	0.409	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-55.5	-36.6	-175.4	-18	23.5	0	0	0	114.2	Y153 G166 M167	Y153-P164 HydrophobicContact CD2-CB 4.42Å; Y153-P164 HydrophobicContact CD2-CG 4.38Å; Y153-P164 HydrophobicContact CE2-CB 4.04Å; Y153-P164 HydrophobicContact CE2-CG 3.91Å; P164-G166 VanDerWaalsContact C-N 3.25Å; P164-G166 PolarHBondContact O-N 3.41Å; P164-M167 PolarHBondContact O-N 2.86Å
165	D	87.5	Confident	91.1	Very high	134 Å²	134	60.8 Å²	60.8	72%	0.717	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-70.7	-17.4	176	59.5	-31.5	0	0	0	113.7	P163 M167	P163-D165 VanDerWaalsContact C-N 3.25Å; P163-D165 WeakPolarHBondContact CB-OD1 3.26Å; P163-D165 WeakPolarHBondContact CG-OD1 3.03Å; P163-D165 PolarHBondContact O-N 3.49Å; D165-M167 VanDerWaalsContact C-N 3.34Å
166	G	89.9	Confident	91.2	Very high	17 Å²	17	61 Å²	61	18%	0.175	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-86.3	-3.6	172.9	0	0	0	0	0	114.2	P163 P164 C177 C178	P163-G166 WeakPolarHBondContact O-CA 3.33Å; P163-G166 PolarHBondContact O-N 3.17Å; P164-G166 VanDerWaalsContact C-N 3.25Å; P164-G166 PolarHBondContact O-N 3.41Å; G166-C177 CarbonylContact O-C 3.54Å; G166-C177 VanDerWaalsContact O-CA 3.22Å; G166-C177 WeakPolarHBondContact O-CA 3.38Å; G166-C178 PolarHBondContact O-N 3.42Å; G166-C178 PolarHBondContact O-SG 3.01Å
167	M	92.4	Very high	91.3	Very high	28 Å²	28	54 Å²	54	14%	0.138	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	143	-178.2	-61	-71	-100.6	0	0	110.1	E154 C155 F162 P164 D165 F176 C177	E154-M167 VanDerWaalsContact O-CE 3.28Å; E154-M167 WeakPolarHBondContact O-CE 3.31Å; C155-M167 HydrophobicContact CB-CE 4.25Å; C155-M167 HydrophobicContact CB-SD 4.3Å; F162-M167 HydrophobicContact CB-CG 4.11Å; F162-M167 HydrophobicContact CB-SD 3.98Å; F162-M167 HydrophobicContact CD2-SD 4.18Å; F162-M167 HydrophobicContact CG-SD 4.42Å; P164-M167 PolarHBondContact O-N 2.86Å; D165-M167 VanDerWaalsContact C-N 3.34Å; M167-F176 WeakPolarHBondContact CA-O 3.38Å; M167-C177 HydrophobicContact SD-CB 3.84Å; M167-C177 PolarHBondContact SD-N 3.49Å
168	F	92.5	Very high	91.3	Very high	37 Å²	37	51.1 Å²	51.1	16%	0.162	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	128.8	175.6	-169.6	-82.7	0	0	0	109.2	L170 A175 F176 W181 M213 I217	F168-L170 HydrophobicContact CE1-CD2 3.91Å; F168-A175 WeakPolarHBondContact O-CA 3.48Å; F168-F176 PolarHBondContact N-O 3.26Å; F168-F176 PolarHBondContact O-N 3.35Å; F168-F176 VanDerWaalsContact O-N 3.12Å; F168-W181 PolarHBondContact O-NE1 2.88Å; F168-M213 HydrophobicContact CZ-CB 4.24Å; F168-M213 HydrophobicContact CZ-CG 4.22Å; F168-I217 HydrophobicContact CD1-CD1 3.68Å; F168-I217 HydrophobicContact CD1-CG1 4.32Å; F168-I217 HydrophobicContact CD2-CD1 4.35Å; F168-I217 HydrophobicContact CD2-CG1 4.11Å; F168-I217 HydrophobicContact CE1-CD1 3.7Å; F168-I217 HydrophobicContact CE1-CG1 4.37Å; F168-I217 HydrophobicContact CE2-CD1 4.36Å; F168-I217 HydrophobicContact CE2-CG1 4.15Å; F168-I217 HydrophobicContact CG-CD1 4.02Å; F168-I217 HydrophobicContact CG-CG1 4.19Å; F168-I217 HydrophobicContact CZ-CD1 4.05Å; F168-I217 HydrophobicContact CZ-CG1 4.28Å
169	A	91.6	Very high	91.3	Very high	57 Å²	57	49.6 Å²	49.6	47%	0.471	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	143.8	-177.5	0	0	0	0	0	111.1	H174 A175	A169-H174 WeakPolarHBondContact CA-O 3.35Å; A169-A175 HydrophobicContact CB-CB 3.78Å
170	L	88	Confident	91.5	Very high	8 Å²	8	44.5 Å²	44.5	4%	0.042	28%	0.282	C	S	.	.			trans	-96.8	173	173.1	-65.3	178.2	0	0	0	111.3	F168 C172 N173 H174 W181 C200 L207 M209 M213	F168-L170 HydrophobicContact CE1-CD2 3.91Å; L170-C172 PolarHBondContact O-N 3.26Å; L170-N173 WeakPolarHBondContact O-CA 3.42Å; L170-N173 PolarHBondContact O-N 3.04Å; L170-H174 PolarHBondContact N-O 2.99Å; L170-W181 HydrophobicContact CD1-CH2 3.48Å; L170-W181 VanDerWaalsContact CD1-CH2 3.48Å; L170-W181 HydrophobicContact CD1-CZ2 3.94Å; L170-W181 HydrophobicContact CD1-CZ3 4.38Å; L170-W181 HydrophobicContact CG-CH2 4.04Å; L170-W181 HydrophobicContact CG-CZ2 3.98Å; L170-C200 HydrophobicContact CD1-CB 3.73Å; L170-L207 HydrophobicContact CB-CD2 4.15Å; L170-M209 HydrophobicContact CD1-CG 3.71Å; L170-M209 HydrophobicContact CD1-SD 4.16Å; L170-M209 HydrophobicContact CD2-CE 4.21Å; L170-M209 HydrophobicContact CD2-CG 3.98Å; L170-M213 HydrophobicContact CD2-SD 3.6Å; L170-M213 VanDerWaalsContact CD2-SD 3.6Å
171	G	83.4	Confident	91.7	Very high	31 Å²	31	43.5 Å²	43.5	32%	0.32	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-12.5	176.2	0	0	0	0	0	115.3	N173	G171-N173 VanDerWaalsContact C-N 3.26Å
172	C	88.2	Confident	91.8	Very high	37 Å²	37	43.6 Å²	43.6	25%	0.25	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	4.1	169.5	58.6	0	0	0	0	113.6	L170 H174 C200 C205 L207	L170-C172 PolarHBondContact O-N 3.26Å; C172-H174 PolarHBondContact O-N 3.45Å; C172-H174 VanDerWaalsContact O-N 3.14Å; C172-H174 PolarHBondContact SG-ND1 2.9Å; C172-C200 VanDerWaalsContact SG-SG 3.65Å; C172-C205 VanDerWaalsContact SG-SG 3.64Å; C172-L207 HydrophobicContact CB-CB 4.32Å; C172-L207 HydrophobicContact CB-CD2 3.66Å; C172-L207 VanDerWaalsContact N-CD2 3.31Å
173	N	88.6	Confident	92	Very high	130 Å²	130	44.5 Å²	44.5	70%	0.695	28%	0.278	S	S	*	.			trans	64.1	3.1	-176	-59.8	-45.9	0	0	0	116.3	L170 G171 A175	L170-N173 WeakPolarHBondContact O-CA 3.42Å; L170-N173 PolarHBondContact O-N 3.04Å; G171-N173 VanDerWaalsContact C-N 3.26Å; N173-A175 PolarHBondContact O-N 3.32Å
174	H	92.3	Very high	92.2	Very high	67 Å²	67	44.4 Å²	44.4	31%	0.31	27%	0.271	S	S	.	.			trans	-69.8	126.2	169.3	-62.7	114.5	0	0	0	110.3	A169 L170 C172 F176 A202	A169-H174 WeakPolarHBondContact CA-O 3.35Å; L170-H174 PolarHBondContact N-O 2.99Å; C172-H174 PolarHBondContact O-N 3.45Å; C172-H174 VanDerWaalsContact O-N 3.14Å; C172-H174 PolarHBondContact SG-ND1 2.9Å; H174-F176 HydrophobicContact CB-CE2 4.24Å; H174-F176 HydrophobicContact CB-CZ 4.27Å; H174-A202 HydrophobicContact CB-CB 3.94Å; H174-A202 VanDerWaalsContact CD2-CB 3.48Å; H174-A202 WeakPolarHBondContact CD2-CB 3.24Å; H174-A202 WeakPolarHBondContact ND1-CB 3.45Å
175	A	93	Very high	92.6	Very high	36 Å²	36	41.4 Å²	41.4	30%	0.298	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	129.2	-177.1	0	0	0	0	0	111.3	F168 A169 N173	F168-A175 WeakPolarHBondContact O-CA 3.48Å; A169-A175 HydrophobicContact CB-CB 3.78Å; N173-A175 PolarHBondContact O-N 3.32Å
176	F	95.7	Very high	93	Very high	5 Å²	5	37.3 Å²	37.3	2%	0.022	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	160.1	175.7	-51.1	-63.7	0	0	0	110.1	E156 I157 M167 F168 H174 C180 W181 A201 A202	E156-F176 HydrophobicContact CB-CE1 4.16Å; I157-F176 HydrophobicContact CD1-CB 3.94Å; I157-F176 HydrophobicContact CD1-CD1 3.62Å; I157-F176 HydrophobicContact CD1-CD2 3.78Å; I157-F176 HydrophobicContact CD1-CE1 4.04Å; I157-F176 HydrophobicContact CD1-CE2 4.2Å; I157-F176 HydrophobicContact CD1-CG 3.48Å; I157-F176 VanDerWaalsContact CD1-CG 3.48Å; I157-F176 HydrophobicContact CD1-CZ 4.31Å; I157-F176 HydrophobicContact CG1-CD1 3.63Å; I157-F176 HydrophobicContact CG1-CE1 3.88Å; I157-F176 HydrophobicContact CG1-CG 4.04Å; I157-F176 HydrophobicContact CG1-CZ 4.5Å; M167-F176 WeakPolarHBondContact CA-O 3.38Å; F168-F176 PolarHBondContact N-O 3.26Å; F168-F176 PolarHBondContact O-N 3.35Å; F168-F176 VanDerWaalsContact O-N 3.12Å; H174-F176 HydrophobicContact CB-CE2 4.24Å; H174-F176 HydrophobicContact CB-CZ 4.27Å; F176-C180 HydrophobicContact CB-CB 4.49Å; F176-W181 HydrophobicContact CB-CG 4.48Å; F176-W181 HydrophobicContact CD2-CD2 4.32Å; F176-W181 AromaticContact CD2-CE2 3.62Å; F176-W181 HydrophobicContact CD2-CH2 4.01Å; F176-W181 AromaticContact CD2-CZ2 3.46Å; F176-W181 HydrophobicContact CD2-CZ2 3.46Å; F176-W181 VanDerWaalsContact CD2-CZ2 3.46Å; F176-W181 AromaticContact CD2-NE1 3.93Å; F176-W181 HydrophobicContact CE2-CH2 4.24Å; F176-W181 AromaticContact CE2-CZ2 3.99Å; F176-W181 HydrophobicContact CE2-CZ2 3.99Å; F176-W181 VanDerWaalsContact O-CD1 3.28Å; F176-W181 PolarHBondContact O-NE1 2.97Å; F176-A201 HydrophobicContact CD2-CB 4.06Å; F176-A201 HydrophobicContact CE2-CB 3.8Å; F176-A202 HydrophobicContact CE2-CB 4.28Å; F176-A202 HydrophobicContact CZ-CB 3.87Å
177	C	95.4	Very high	93.3	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.02	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	148.6	177.9	77.9	0	0	0	0	111	C155 F162 G166 M167 G179 C180 W181	C155-C177 HydrophobicContact CB-CB 3.98Å; C155-C177 PolarHBondContact SG-N 3.39Å; F162-C177 HydrophobicContact CD1-CB 4.11Å; F162-C177 HydrophobicContact CD2-CB 3.37Å; F162-C177 HydrophobicContact CE1-CB 4.16Å; F162-C177 HydrophobicContact CE2-CB 3.43Å; F162-C177 VanDerWaalsContact CE2-CB 3.43Å; F162-C177 VanDerWaalsContact CE2-SG 3.6Å; F162-C177 HydrophobicContact CG-CB 3.73Å; F162-C177 HydrophobicContact CZ-CB 3.84Å; G166-C177 CarbonylContact O-C 3.54Å; G166-C177 VanDerWaalsContact O-CA 3.22Å; G166-C177 WeakPolarHBondContact O-CA 3.38Å; M167-C177 HydrophobicContact SD-CB 3.84Å; M167-C177 PolarHBondContact SD-N 3.49Å; C177-G179 PolarHBondContact O-N 2.93Å; C177-C180 PolarHBondContact O-N 2.72Å; C177-C180 PolarHBondContact SG-N 3.43Å; C177-C180 VanDerWaalsContact SG-N 3.45Å; C177-C180 PolarHBondContact SG-SG 3.47Å; C177-W181 PolarHBondContact O-N 3.08Å; C177-W181 VanDerWaalsContact O-N 3.08Å
178	C	94.4	Very high	93.4	Very high	23 Å²	23	39.4 Å²	39.4	16%	0.155	24%	0.241	C	C	.	.	H	α-helix	trans	-58.1	-27.6	-178.2	-60.5	0	0	0	0	112.6	G166 R182	G166-C178 PolarHBondContact O-N 3.42Å; G166-C178 PolarHBondContact O-SG 3.01Å; C178-R182 WeakPolarHBondContact O-CB 3.12Å; C178-R182 WeakPolarHBondContact O-CG 3.1Å; C178-R182 PolarHBondContact O-N 3.45Å
179	G	95.1	Very high	93.5	Very high	34 Å²	34	37.6 Å²	37.6	35%	0.351	23%	0.233	S	C	.	.	H	α-helix	trans	-64.1	-48	173.1	0	0	0	0	0	112.7	C177 R182 S183	C177-G179 PolarHBondContact O-N 2.93Å; G179-R182 PolarHBondContact O-N 2.68Å; G179-S183 PolarHBondContact O-N 3.17Å; G179-S183 PolarHBondContact O-OG 3.43Å
180	C	97	Very high	93.6	Very high	17 Å²	17	39 Å²	39	12%	0.115	23%	0.231	C	C	.	.	H	α-helix	trans	-66.3	-41.4	178.8	-69.7	0	0	0	0	111.6	I157 C158 F176 C177 R182 S183 Y184	I157-C180 HydrophobicContact CB-CB 4.02Å; I157-C180 HydrophobicContact CD1-CB 3.92Å; I157-C180 HydrophobicContact CG2-CB 3.99Å; C158-C180 VanDerWaalsContact CB-SG 3.57Å; C158-C180 VanDerWaalsContact SG-SG 3.62Å; F176-C180 HydrophobicContact CB-CB 4.49Å; C177-C180 PolarHBondContact O-N 2.72Å; C177-C180 PolarHBondContact SG-N 3.43Å; C177-C180 VanDerWaalsContact SG-N 3.45Å; C177-C180 PolarHBondContact SG-SG 3.47Å; C180-R182 PolarHBondContact O-N 3.13Å; C180-S183 PolarHBondContact O-N 2.87Å; C180-Y184 WeakPolarHBondContact O-CB 3.44Å; C180-Y184 PolarHBondContact O-N 3.33Å
181	W	95.8	Very high	93.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59.8	-45.1	173.9	-82.1	120.8	0	0	0	112.3	F168 L170 F176 C177 S183 Y184 L185 A201 M209 I217	F168-W181 PolarHBondContact O-NE1 2.88Å; L170-W181 HydrophobicContact CD1-CH2 3.48Å; L170-W181 VanDerWaalsContact CD1-CH2 3.48Å; L170-W181 HydrophobicContact CD1-CZ2 3.94Å; L170-W181 HydrophobicContact CD1-CZ3 4.38Å; L170-W181 HydrophobicContact CG-CH2 4.04Å; L170-W181 HydrophobicContact CG-CZ2 3.98Å; F176-W181 HydrophobicContact CB-CG 4.48Å; F176-W181 HydrophobicContact CD2-CD2 4.32Å; F176-W181 AromaticContact CD2-CE2 3.62Å; F176-W181 HydrophobicContact CD2-CH2 4.01Å; F176-W181 AromaticContact CD2-CZ2 3.46Å; F176-W181 HydrophobicContact CD2-CZ2 3.46Å; F176-W181 VanDerWaalsContact CD2-CZ2 3.46Å; F176-W181 AromaticContact CD2-NE1 3.93Å; F176-W181 HydrophobicContact CE2-CH2 4.24Å; F176-W181 AromaticContact CE2-CZ2 3.99Å; F176-W181 HydrophobicContact CE2-CZ2 3.99Å; F176-W181 VanDerWaalsContact O-CD1 3.28Å; F176-W181 PolarHBondContact O-NE1 2.97Å; C177-W181 PolarHBondContact O-N 3.08Å; C177-W181 VanDerWaalsContact O-N 3.08Å; W181-S183 PolarHBondContact O-N 3.32Å; W181-Y184 AromaticContact CE3-CD1 3.95Å; W181-Y184 HydrophobicContact CE3-CD1 3.95Å; W181-Y184 AromaticContact CZ3-CD1 3.94Å; W181-Y184 HydrophobicContact CZ3-CD1 3.94Å; W181-Y184 HydrophobicContact CZ3-CE1 4.12Å; W181-Y184 PolarHBondContact O-N 3.48Å; W181-L185 WeakPolarHBondContact O-CB 3.32Å; W181-L185 VanDerWaalsContact O-CG 3.28Å; W181-L185 WeakPolarHBondContact O-CG 3.49Å; W181-L185 PolarHBondContact O-N 3.37Å; W181-A201 HydrophobicContact CE3-CB 4.33Å; W181-A201 HydrophobicContact CH2-CB 4.08Å; W181-A201 HydrophobicContact CZ3-CB 3.78Å; W181-M209 HydrophobicContact CE3-CE 4.36Å; W181-M209 HydrophobicContact CE3-SD 4.07Å; W181-M209 HydrophobicContact CH2-SD 4.1Å; W181-M209 HydrophobicContact CZ3-CE 4.29Å; W181-M209 HydrophobicContact CZ3-SD 3.52Å; W181-M209 VanDerWaalsContact CZ3-SD 3.52Å; W181-I217 HydrophobicContact CB-CD1 4.33Å; W181-I217 HydrophobicContact CB-CG2 3.69Å; W181-I217 HydrophobicContact CG-CD1 4.36Å
182	R	95.7	Very high	94.3	Very high	74 Å²	74	47.8 Å²	47.8	28%	0.279	27%	0.268	S	S	.	.	H	α-helix	trans	-60.3	-45.4	176.4	-76	175.9	-149	126.6	2.6	112.1	C178 G179 C180 T186 I217	C178-R182 WeakPolarHBondContact O-CB 3.12Å; C178-R182 WeakPolarHBondContact O-CG 3.1Å; C178-R182 PolarHBondContact O-N 3.45Å; G179-R182 PolarHBondContact O-N 2.68Å; C180-R182 PolarHBondContact O-N 3.13Å; R182-T186 WeakPolarHBondContact O-CB 3.22Å; R182-T186 PolarHBondContact O-N 3.45Å; R182-T186 PolarHBondContact O-OG1 3.06Å; R182-I217 HydrophobicContact CG-CG2 3.83Å; R182-I217 WeakPolarHBondContact CG-O 3.36Å; R182-I217 PolarHBondContact NE-O 2.81Å
183	S	95.9	Very high	94.3	Very high	83 Å²	83	47.4 Å²	47.4	58%	0.58	27%	0.27	S	S	*	.	H	α-helix	trans	-62.1	-45.3	177.5	-66.6	0	0	0	0	111.6	G179 C180 W181 T186 S187	G179-S183 PolarHBondContact O-N 3.17Å; G179-S183 PolarHBondContact O-OG 3.43Å; C180-S183 PolarHBondContact O-N 2.87Å; W181-S183 PolarHBondContact O-N 3.32Å; S183-T186 PolarHBondContact O-N 3.42Å; S183-S187 WeakPolarHBondContact O-CB 3.34Å; S183-S187 PolarHBondContact O-N 2.95Å
184	Y	96.3	Very high	94.1	Very high	49 Å²	49	44.8 Å²	44.8	19%	0.192	26%	0.255	C	S	.	.	H	α-helix	trans	-59.2	-53.9	176.4	171.9	-107.2	0	0	0	112	C180 W181 T186 S187 K188 I198 S199 A201	C180-Y184 WeakPolarHBondContact O-CB 3.44Å; C180-Y184 PolarHBondContact O-N 3.33Å; W181-Y184 AromaticContact CE3-CD1 3.95Å; W181-Y184 HydrophobicContact CE3-CD1 3.95Å; W181-Y184 AromaticContact CZ3-CD1 3.94Å; W181-Y184 HydrophobicContact CZ3-CD1 3.94Å; W181-Y184 HydrophobicContact CZ3-CE1 4.12Å; W181-Y184 PolarHBondContact O-N 3.48Å; Y184-T186 PolarHBondContact O-N 3.09Å; Y184-S187 PolarHBondContact O-N 3.44Å; Y184-K188 HydrophobicContact CD2-CG 4.27Å; Y184-K188 HydrophobicContact CE1-CG 4.31Å; Y184-K188 HydrophobicContact CE2-CD 4.31Å; Y184-K188 HydrophobicContact CE2-CG 3.85Å; Y184-K188 WeakPolarHBondContact O-CG 3.43Å; Y184-K188 PolarHBondContact O-N 2.85Å; Y184-I198 HydrophobicContact CE1-CG2 3.93Å; Y184-S199 WeakPolarHBondContact CE1-O 3.25Å; Y184-S199 PolarHBondContact OH-O 3.33Å; Y184-A201 HydrophobicContact CD1-CB 3.96Å; Y184-A201 HydrophobicContact CD2-CB 4.08Å; Y184-A201 HydrophobicContact CE1-CB 4.07Å; Y184-A201 HydrophobicContact CE2-CB 4.19Å; Y184-A201 HydrophobicContact CG-CB 3.95Å
185	L	96	Very high	93.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.2	-44.3	179.7	-68.4	176.5	0	0	0	111.5	W181 S187 K188 I189 I198 M209 V214 I217 L218	W181-L185 WeakPolarHBondContact O-CB 3.32Å; W181-L185 VanDerWaalsContact O-CG 3.28Å; W181-L185 WeakPolarHBondContact O-CG 3.49Å; W181-L185 PolarHBondContact O-N 3.37Å; L185-S187 VanDerWaalsContact C-N 3.33Å; L185-S187 PolarHBondContact O-N 3.5Å; L185-K188 PolarHBondContact O-N 3.33Å; L185-I189 HydrophobicContact CB-CD1 4.34Å; L185-I189 WeakPolarHBondContact O-CB 3.34Å; L185-I189 VanDerWaalsContact O-CD1 3.28Å; L185-I189 WeakPolarHBondContact O-CD1 3.4Å; L185-I189 WeakPolarHBondContact O-CG1 3.28Å; L185-I189 PolarHBondContact O-N 3.02Å; L185-I198 HydrophobicContact CD2-CD1 4.39Å; L185-I198 HydrophobicContact CD2-CG2 3.77Å; L185-M209 HydrophobicContact CD1-CE 4.31Å; L185-M209 HydrophobicContact CD2-CE 4.22Å; L185-M209 HydrophobicContact CD2-SD 3.99Å; L185-V214 HydrophobicContact CD1-CG1 4.33Å; L185-V214 HydrophobicContact CD2-CG1 4.39Å; L185-V214 HydrophobicContact CD2-CG2 4.14Å; L185-I217 HydrophobicContact CD1-CB 3.86Å; L185-I217 HydrophobicContact CD1-CD1 4.14Å; L185-I217 HydrophobicContact CD1-CG2 3.67Å; L185-L218 HydrophobicContact CB-CD2 3.87Å; L185-L218 HydrophobicContact CB-CG 4.48Å; L185-L218 HydrophobicContact CD1-CD2 4.41Å; L185-L218 HydrophobicContact CD1-CG 4.28Å
186	T	96	Very high	92.9	Very high	48 Å²	48	40.6 Å²	40.6	29%	0.294	23%	0.23	S	C	.	.	H	α-helix	trans	-60.3	-44.8	179.3	-58.1	0	0	0	0	111	R182 S183 Y184 I189 M190 V223	R182-T186 WeakPolarHBondContact O-CB 3.22Å; R182-T186 PolarHBondContact O-N 3.45Å; R182-T186 PolarHBondContact O-OG1 3.06Å; S183-T186 PolarHBondContact O-N 3.42Å; Y184-T186 PolarHBondContact O-N 3.09Å; T186-I189 PolarHBondContact O-N 3.42Å; T186-M190 HydrophobicContact CG2-CG 4.03Å; T186-M190 VanDerWaalsContact O-CB 3.25Å; T186-M190 WeakPolarHBondContact O-CB 3.44Å; T186-M190 WeakPolarHBondContact O-CG 3.49Å; T186-M190 PolarHBondContact O-N 3.4Å; T186-V223 HydrophobicContact CG2-CG1 4.44Å; T186-V223 HydrophobicContact CG2-CG2 3.92Å
187	S	95.3	Very high	92.5	Very high	46 Å²	46	44.6 Å²	44.6	32%	0.322	25%	0.251	S	S	.	.	H	α-helix	trans	-65.8	-44.6	178.4	-172.5	0	0	0	0	111.9	S183 Y184 L185 I189 D191 E192	S183-S187 WeakPolarHBondContact O-CB 3.34Å; S183-S187 PolarHBondContact O-N 2.95Å; Y184-S187 PolarHBondContact O-N 3.44Å; L185-S187 VanDerWaalsContact C-N 3.33Å; L185-S187 PolarHBondContact O-N 3.5Å; S187-I189 VanDerWaalsContact C-N 3.28Å; S187-I189 PolarHBondContact O-N 2.91Å; S187-D191 VanDerWaalsContact CA-OD2 3.31Å; S187-D191 WeakPolarHBondContact CA-OD2 3.47Å; S187-D191 WeakPolarHBondContact CB-OD2 3.32Å; S187-D191 WeakPolarHBondContact O-CA 3.21Å; S187-D191 VanDerWaalsContact O-CB 3.27Å; S187-D191 WeakPolarHBondContact O-CB 3.49Å; S187-D191 PolarHBondContact O-N 3.48Å; S187-D191 PolarHBondContact OG-OD2 2.96Å; S187-E192 PolarHBondContact O-N 3.02Å
188	K	94.5	Very high	92.4	Very high	42 Å²	42	44.6 Å²	44.6	18%	0.183	25%	0.251	C	S	.	.	H	α-helix	trans	-57.9	-38.8	174.9	-72.9	-56.7	-170.3	-171.3	0	113.2	Y184 L185 E192 G193 M194	Y184-K188 HydrophobicContact CD2-CG 4.27Å; Y184-K188 HydrophobicContact CE1-CG 4.31Å; Y184-K188 HydrophobicContact CE2-CD 4.31Å; Y184-K188 HydrophobicContact CE2-CG 3.85Å; Y184-K188 WeakPolarHBondContact O-CG 3.43Å; Y184-K188 PolarHBondContact O-N 2.85Å; L185-K188 PolarHBondContact O-N 3.33Å; K188-E192 VanDerWaalsContact CD-CD 3.47Å; K188-E192 HydrophobicContact CD-CG 4.49Å; K188-E192 WeakPolarHBondContact CD-OE1 3.34Å; K188-E192 VanDerWaalsContact CD-OE2 3.32Å; K188-E192 WeakPolarHBondContact CD-OE2 3.45Å; K188-E192 WeakPolarHBondContact CE-OE1 3.32Å; K188-E192 IonicContact NZ-OE1 3.67Å; K188-E192 PolarHBondContact NZ-OE1 3.03Å; K188-E192 IonicContact NZ-OE2 2.91Å; K188-E192 PolarHBondContact NZ-OE2 3.3Å; K188-E192 WeakPolarHBondContact O-CB 3.34Å; K188-G193 PolarHBondContact O-N 3.38Å; K188-M194 HydrophobicContact CD-SD 4.07Å; K188-M194 PolarHBondContact O-N 3.28Å
189	I	95.5	Very high	92.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-82.8	-43.9	-175	-66.8	163.5	0	0	0	111.9	L185 T186 S187 G193 I198 V214 L218 V223 R226 Y227 L230	L185-I189 HydrophobicContact CB-CD1 4.34Å; L185-I189 WeakPolarHBondContact O-CB 3.34Å; L185-I189 VanDerWaalsContact O-CD1 3.28Å; L185-I189 WeakPolarHBondContact O-CD1 3.4Å; L185-I189 WeakPolarHBondContact O-CG1 3.28Å; L185-I189 PolarHBondContact O-N 3.02Å; T186-I189 PolarHBondContact O-N 3.42Å; S187-I189 VanDerWaalsContact C-N 3.28Å; S187-I189 PolarHBondContact O-N 2.91Å; I189-G193 WeakPolarHBondContact O-CA 3.12Å; I189-I198 HydrophobicContact CD1-CD1 4.33Å; I189-I198 HydrophobicContact CG1-CD1 3.97Å; I189-V214 HydrophobicContact CD1-CG1 4.25Å; I189-L218 HydrophobicContact CD1-CD1 3.78Å; I189-V223 HydrophobicContact CB-CG1 4.19Å; I189-V223 HydrophobicContact CD1-CG1 4.03Å; I189-V223 HydrophobicContact CG2-CG1 4.01Å; I189-R226 HydrophobicContact CG2-CB 4.03Å; I189-R226 HydrophobicContact CG2-CG 3.75Å; I189-Y227 HydrophobicContact CD1-CD2 3.71Å; I189-Y227 HydrophobicContact CD1-CG 4.09Å; I189-Y227 HydrophobicContact CG1-CD2 3.87Å; I189-L230 HydrophobicContact CG2-CD1 4.17Å
190	M	94.2	Very high	92.3	Very high	87 Å²	87	43.7 Å²	43.7	43%	0.429	24%	0.24	S	C	.	.	H	α-helix	trans	-87.8	-43.6	-172.4	-63.3	-61.9	-69.5	0	0	112.2	T186 V223 R226	T186-M190 HydrophobicContact CG2-CG 4.03Å; T186-M190 VanDerWaalsContact O-CB 3.25Å; T186-M190 WeakPolarHBondContact O-CB 3.44Å; T186-M190 WeakPolarHBondContact O-CG 3.49Å; T186-M190 PolarHBondContact O-N 3.4Å; M190-V223 HydrophobicContact CG-CG1 4.39Å; M190-V223 HydrophobicContact CG-CG2 4.12Å; M190-V223 HydrophobicContact SD-CG2 4.22Å; M190-R226 HydrophobicContact SD-CB 3.93Å; M190-R226 HydrophobicContact SD-CG 3.79Å
191	D	93	Very high	92.2	Very high	125 Å²	125	44.2 Å²	44.2	67%	0.668	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-50.3	-173.4	-49.7	-34.9	0	0	0	110.5	S187	S187-D191 VanDerWaalsContact CA-OD2 3.31Å; S187-D191 WeakPolarHBondContact CA-OD2 3.47Å; S187-D191 WeakPolarHBondContact CB-OD2 3.32Å; S187-D191 WeakPolarHBondContact O-CA 3.21Å; S187-D191 VanDerWaalsContact O-CB 3.27Å; S187-D191 WeakPolarHBondContact O-CB 3.49Å; S187-D191 PolarHBondContact O-N 3.48Å; S187-D191 PolarHBondContact OG-OD2 2.96Å
192	E	91.8	Very high	92	Very high	98 Å²	98	44.9 Å²	44.9	46%	0.458	25%	0.251	S	S	.	.	S	Bend	trans	-85.3	-15.6	-179.1	-62.1	-178.6	-146.4	0	0	113.2	S187 K188 M194	S187-E192 PolarHBondContact O-N 3.02Å; K188-E192 VanDerWaalsContact CD-CD 3.47Å; K188-E192 HydrophobicContact CD-CG 4.49Å; K188-E192 WeakPolarHBondContact CD-OE1 3.34Å; K188-E192 VanDerWaalsContact CD-OE2 3.32Å; K188-E192 WeakPolarHBondContact CD-OE2 3.45Å; K188-E192 WeakPolarHBondContact CE-OE1 3.32Å; K188-E192 IonicContact NZ-OE1 3.67Å; K188-E192 PolarHBondContact NZ-OE1 3.03Å; K188-E192 IonicContact NZ-OE2 2.91Å; K188-E192 PolarHBondContact NZ-OE2 3.3Å; K188-E192 WeakPolarHBondContact O-CB 3.34Å; E192-M194 VanDerWaalsContact C-N 3.29Å; E192-M194 HydrophobicContact CB-CE 4.45Å; E192-M194 HydrophobicContact CB-CG 4.11Å; E192-M194 PolarHBondContact O-N 3.21Å; E192-M194 WeakPolarHBondContact OE2-CE 3.24Å
193	G	89.1	Confident	91.8	Very high	29 Å²	29	50.8 Å²	50.8	30%	0.299	27%	0.274	S	S	.	.			trans	68	25.2	179.1	0	0	0	0	0	114.3	K188 I189 G195	K188-G193 PolarHBondContact O-N 3.38Å; I189-G193 WeakPolarHBondContact O-CA 3.12Å; G193-G195 PolarHBondContact O-N 3.08Å
194	M	84.1	Confident	91.5	Very high	75 Å²	75	54.7 Å²	54.7	37%	0.369	28%	0.281	S	S	.	.			trans	-81	115	179.3	-66.2	-172.6	177.5	0	0	111.1	K188 E192 I198	K188-M194 HydrophobicContact CD-SD 4.07Å; K188-M194 PolarHBondContact O-N 3.28Å; E192-M194 VanDerWaalsContact C-N 3.29Å; E192-M194 HydrophobicContact CB-CE 4.45Å; E192-M194 HydrophobicContact CB-CG 4.11Å; E192-M194 PolarHBondContact O-N 3.21Å; E192-M194 WeakPolarHBondContact OE2-CE 3.24Å; M194-I198 HydrophobicContact CB-CG1 4.42Å
195	G	78.8	Confident	91.3	Very high	3 Å²	3	53.2 Å²	53.2	3%	0.031	28%	0.278	C	S	.	.			trans	-107	0.5	173.6	0	0	0	0	0	115.4	G193 T231	G193-G195 PolarHBondContact O-N 3.08Å; G195-T231 PolarHBondContact O-OG1 2.91Å
196	Q	82	Confident	91.1	Very high	12 Å²	12	59.1 Å²	59.1	6%	0.056	31%	0.309	C	S	.	.	S	Bend	trans	-146.9	163.3	179.4	-66.4	-65	-7.3	0	0	108.1	I198 T231 T234	Q196-I198 PolarHBondContact O-N 3.45Å; Q196-T231 PolarHBondContact NE2-O 2.92Å; Q196-T234 HydrophobicContact CB-CG2 4.43Å; Q196-T234 HydrophobicContact CG-CG2 3.77Å
197	N	87	Confident	90.9	Very high	89 Å²	89	57.9 Å²	57.9	48%	0.476	30%	0.301	S	S	.	.			trans	57.9	31.2	174	-53.4	-24.3	0	0	0	114.3	N94 S199 L208	N94-N197 PolarHBondContact ND2-OD1 3.3Å; N197-S199 PolarHBondContact O-N 3.27Å; N197-S199 VanDerWaalsContact O-N 3.16Å; N197-L208 HydrophobicContact CB-CD2 4.15Å
198	I	92.5	Very high	90.8	Very high	3 Å²	3	57 Å²	57	2%	0.015	29%	0.292	C	S	.	.			trans	-71.3	110.9	172.6	-59.3	179.7	0	0	0	107.9	Y184 L185 I189 M194 Q196 M209 Y227	Y184-I198 HydrophobicContact CE1-CG2 3.93Å; L185-I198 HydrophobicContact CD2-CD1 4.39Å; L185-I198 HydrophobicContact CD2-CG2 3.77Å; I189-I198 HydrophobicContact CD1-CD1 4.33Å; I189-I198 HydrophobicContact CG1-CD1 3.97Å; M194-I198 HydrophobicContact CB-CG1 4.42Å; Q196-I198 PolarHBondContact O-N 3.45Å; I198-M209 HydrophobicContact CG2-SD 4.45Å; I198-M209 PolarHBondContact O-N 3.14Å; I198-Y227 HydrophobicContact CD1-CD2 4.17Å; I198-Y227 HydrophobicContact CD1-CE2 3.67Å
199	S	93.5	Very high	90.7	Very high	35 Å²	35	55.1 Å²	55.1	25%	0.245	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-85.3	166.6	178	65.9	0	0	0	0	112.4	Y184 N197 L207	Y184-S199 WeakPolarHBondContact CE1-O 3.25Å; Y184-S199 PolarHBondContact OH-O 3.33Å; N197-S199 PolarHBondContact O-N 3.27Å; N197-S199 VanDerWaalsContact O-N 3.16Å; S199-L207 CarbonylContact C-O 3.58Å; S199-L207 VanDerWaalsContact CA-O 3.24Å; S199-L207 WeakPolarHBondContact CA-O 3.2Å
200	C	94.7	Very high	90.5	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.02	29%	0.289	C	S	.	.			trans	-50.7	141.8	169.7	179.8	0	0	0	0	111.5	L170 C172 A202 C205 L207	L170-C200 HydrophobicContact CD1-CB 3.73Å; C172-C200 VanDerWaalsContact SG-SG 3.65Å; C200-A202 PolarHBondContact O-N 3.11Å; C200-A202 PolarHBondContact SG-N 2.89Å; C200-A202 VanDerWaalsContact SG-N 3.42Å; C200-C205 HydrophobicContact CB-CB 3.85Å; C200-C205 VanDerWaalsContact CB-SG 3.53Å; C200-L207 PolarHBondContact N-O 2.71Å
201	A	94.1	Very high	90.3	Very high	28 Å²	28	53.4 Å²	53.4	23%	0.231	28%	0.276	C	S	.	.	S	Bend	trans	-72.7	-7	178.8	0	0	0	0	0	114.1	I157 F176 W181 Y184	I157-A201 HydrophobicContact CD1-CB 4.13Å; F176-A201 HydrophobicContact CD2-CB 4.06Å; F176-A201 HydrophobicContact CE2-CB 3.8Å; W181-A201 HydrophobicContact CE3-CB 4.33Å; W181-A201 HydrophobicContact CH2-CB 4.08Å; W181-A201 HydrophobicContact CZ3-CB 3.78Å; Y184-A201 HydrophobicContact CD1-CB 3.96Å; Y184-A201 HydrophobicContact CD2-CB 4.08Å; Y184-A201 HydrophobicContact CE1-CB 4.07Å; Y184-A201 HydrophobicContact CE2-CB 4.19Å; Y184-A201 HydrophobicContact CG-CB 3.95Å
202	A	92.9	Very high	90.3	Very high	14 Å²	14	54.2 Å²	54.2	12%	0.116	28%	0.276	C	S	.	.	S	Bend	trans	-71.2	147.6	177.2	0	0	0	0	0	111.8	H174 F176 C200 K204 C205	H174-A202 HydrophobicContact CB-CB 3.94Å; H174-A202 VanDerWaalsContact CD2-CB 3.48Å; H174-A202 WeakPolarHBondContact CD2-CB 3.24Å; H174-A202 WeakPolarHBondContact ND1-CB 3.45Å; F176-A202 HydrophobicContact CE2-CB 4.28Å; F176-A202 HydrophobicContact CZ-CB 3.87Å; C200-A202 PolarHBondContact O-N 3.11Å; C200-A202 PolarHBondContact SG-N 2.89Å; C200-A202 VanDerWaalsContact SG-N 3.42Å; A202-K204 PolarHBondContact O-N 2.96Å; A202-C205 HydrophobicContact CB-CB 3.89Å; A202-C205 PolarHBondContact O-N 3.2Å
203	Y	90.9	Very high	90.2	Very high	198 Å²	198	51.9 Å²	51.9	78%	0.776	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	126.1	-179.6	-178	-110.9	0	0	0	111.5	C205	Y203-C205 PolarHBondContact O-N 2.99Å
204	K	89.5	Confident	90.5	Very high	164 Å²	164	50.5 Å²	50.5	71%	0.713	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	20.6	-179.5	-65.5	179	170.7	171.4	0	115.2	A202	A202-K204 PolarHBondContact O-N 2.96Å
205	C	92.4	Very high	90.9	Very high	19 Å²	19	49.1 Å²	49.1	13%	0.128	25%	0.246	C	C	.	.			trans	-92.5	116.4	172	-171.1	0	0	0	0	110.4	C172 C200 A202 Y203	C172-C205 VanDerWaalsContact SG-SG 3.64Å; C200-C205 HydrophobicContact CB-CB 3.85Å; C200-C205 VanDerWaalsContact CB-SG 3.53Å; A202-C205 HydrophobicContact CB-CB 3.89Å; A202-C205 PolarHBondContact O-N 3.2Å; Y203-C205 PolarHBondContact O-N 2.99Å
206	N	90.8	Very high	91.5	Very high	124 Å²	124	55.5 Å²	55.5	66%	0.663	28%	0.275	S	S	*	.			trans	-95.4	9.4	-179.5	-63.5	-27.2	0	0	0	113.3	L208	N206-L208 PolarHBondContact O-N 3.47Å
207	L	91.9	Very high	92.1	Very high	22 Å²	22	55.4 Å²	55.4	12%	0.115	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-65.9	122.3	178.8	179.1	65.1	0	0	0	110.1	G121 V123 L170 C172 S199 C200	G121-L207 WeakPolarHBondContact O-CA 3.36Å; G121-L207 WeakPolarHBondContact O-CD1 3.28Å; V123-L207 HydrophobicContact CB-CD1 4.36Å; V123-L207 HydrophobicContact CG2-CD1 3.35Å; V123-L207 HydrophobicContact CG2-CD2 3.73Å; V123-L207 HydrophobicContact CG2-CG 4.21Å; L170-L207 HydrophobicContact CB-CD2 4.15Å; C172-L207 HydrophobicContact CB-CB 4.32Å; C172-L207 HydrophobicContact CB-CD2 3.66Å; C172-L207 VanDerWaalsContact N-CD2 3.31Å; S199-L207 CarbonylContact C-O 3.58Å; S199-L207 VanDerWaalsContact CA-O 3.24Å; S199-L207 WeakPolarHBondContact CA-O 3.2Å; C200-L207 PolarHBondContact N-O 2.71Å
208	L	93.2	Very high	92.4	Very high	27 Å²	27	51.3 Å²	51.3	14%	0.141	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-75.9	144.1	178.5	-61.3	-173.9	0	0	0	111.8	L91 A120 G121 N197 N206	L91-L208 HydrophobicContact CD1-CB 4.25Å; L91-L208 HydrophobicContact CD2-CB 4.27Å; L91-L208 HydrophobicContact CD2-CD1 4.05Å; A120-L208 VanDerWaalsContact O-CD1 3.31Å; A120-L208 WeakPolarHBondContact O-CD1 3.18Å; G121-L208 WeakPolarHBondContact O-CB 3.49Å; G121-L208 WeakPolarHBondContact O-CG 3.25Å; G121-L208 PolarHBondContact O-N 3.17Å; N197-L208 HydrophobicContact CB-CD2 4.15Å; N206-L208 PolarHBondContact O-N 3.47Å
209	M	92.7	Very high	92.3	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.015	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-89.2	135.8	167.9	-62.1	-178.8	63.8	0	0	109.5	L170 W181 L185 I198 M213 V214 I217	L170-M209 HydrophobicContact CD1-CG 3.71Å; L170-M209 HydrophobicContact CD1-SD 4.16Å; L170-M209 HydrophobicContact CD2-CE 4.21Å; L170-M209 HydrophobicContact CD2-CG 3.98Å; W181-M209 HydrophobicContact CE3-CE 4.36Å; W181-M209 HydrophobicContact CE3-SD 4.07Å; W181-M209 HydrophobicContact CH2-SD 4.1Å; W181-M209 HydrophobicContact CZ3-CE 4.29Å; W181-M209 HydrophobicContact CZ3-SD 3.52Å; W181-M209 VanDerWaalsContact CZ3-SD 3.52Å; L185-M209 HydrophobicContact CD1-CE 4.31Å; L185-M209 HydrophobicContact CD2-CE 4.22Å; L185-M209 HydrophobicContact CD2-SD 3.99Å; I198-M209 HydrophobicContact CG2-SD 4.45Å; I198-M209 PolarHBondContact O-N 3.14Å; M209-M213 HydrophobicContact CE-CB 4.28Å; M209-V214 HydrophobicContact CB-CG2 3.84Å; M209-V214 HydrophobicContact CE-CG2 4.14Å; M209-I217 HydrophobicContact CE-CD1 3.58Å
210	D	90.9	Very high	92.4	Very high	21 Å²	21	59.6 Å²	59.6	11%	0.112	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-79.6	169.5	170.9	66.2	68.8	0	0	0	112.6	P87 L91 E212 M213 V214	P87-D210 HydrophobicContact CB-CB 3.75Å; L91-D210 HydrophobicContact CD1-CB 4.27Å; D210-E212 VanDerWaalsContact C-N 3.28Å; D210-E212 PolarHBondContact O-N 3.37Å; D210-E212 WeakPolarHBondContact OD1-CA 3.41Å; D210-E212 WeakPolarHBondContact OD1-CB 3.3Å; D210-E212 PolarHBondContact OD1-N 2.97Å; D210-M213 PolarHBondContact O-N 2.96Å; D210-M213 PolarHBondContact OD1-N 2.98Å; D210-M213 WeakPolarHBondContact OD2-CE 3.28Å; D210-M213 WeakPolarHBondContact OD2-CG 3.46Å; D210-M213 VanDerWaalsContact OD2-SD 3.37Å; D210-V214 WeakPolarHBondContact O-CG2 3.26Å; D210-V214 PolarHBondContact O-N 2.75Å; D210-V214 VanDerWaalsContact O-N 3.14Å
211	D	91.4	Very high	92.3	Very high	29 Å²	29	66.3 Å²	66.3	16%	0.155	32%	0.321	C	S	.	.	H	α-helix	trans	-66	-31.8	-174.9	-69.6	-12.5	0	0	0	112.4	R90 L215 Y227	R90-D211 WeakPolarHBondContact CD-OD2 3.14Å; R90-D211 IonicContact CZ-OD1 2.86Å; R90-D211 IonicContact CZ-OD2 3.85Å; R90-D211 VanDerWaalsContact CZ-OD2 3.23Å; R90-D211 VanDerWaalsContact NE-CG 3.34Å; R90-D211 IonicContact NE-OD1 3.91Å; R90-D211 IonicContact NE-OD2 3.59Å; R90-D211 PolarHBondContact NE-OD2 3.44Å; R90-D211 IonicContact NH1-OD1 3.98Å; R90-D211 PolarHBondContact NH1-OD1 2.82Å; R90-D211 IonicContact NH1-OD2 2.86Å; R90-D211 IonicContact NH2-OD1 3.67Å; R90-D211 PolarHBondContact NH2-OD1 3.23Å; R90-D211 IonicContact NH2-OD2 3.97Å; D211-L215 VanDerWaalsContact O-CB 3.24Å; D211-L215 WeakPolarHBondContact O-CB 3.5Å; D211-L215 WeakPolarHBondContact O-CD1 3.45Å; D211-L215 WeakPolarHBondContact O-CG 3.47Å; D211-L215 PolarHBondContact O-N 3.23Å; D211-Y227 HydrophobicContact CB-CE1 4.27Å; D211-Y227 PolarHBondContact OD1-OH 2.97Å
212	E	91	Very high	92.4	Very high	142 Å²	142	71.9 Å²	71.9	66%	0.664	34%	0.342	S	S	*	.	H	α-helix	trans	-69.8	-47.7	-178.4	-170.9	170.3	-169.3	0	0	109.8	D210 V214 L215 E216	D210-E212 VanDerWaalsContact C-N 3.28Å; D210-E212 PolarHBondContact O-N 3.37Å; D210-E212 WeakPolarHBondContact OD1-CA 3.41Å; D210-E212 WeakPolarHBondContact OD1-CB 3.3Å; D210-E212 PolarHBondContact OD1-N 2.97Å; E212-V214 PolarHBondContact O-N 3.4Å; E212-L215 PolarHBondContact O-N 3.26Å; E212-E216 WeakPolarHBondContact O-CB 3.42Å; E212-E216 PolarHBondContact O-N 2.91Å
213	M	91.5	Very high	92.4	Very high	49 Å²	49	71.4 Å²	71.4	24%	0.241	34%	0.338	C	S	.	.	H	α-helix	trans	-58.8	-45.8	175.2	-64.8	-178.6	-173.8	0	0	112	F168 L170 M209 D210 E216 I217	F168-M213 HydrophobicContact CZ-CB 4.24Å; F168-M213 HydrophobicContact CZ-CG 4.22Å; L170-M213 HydrophobicContact CD2-SD 3.6Å; L170-M213 VanDerWaalsContact CD2-SD 3.6Å; M209-M213 HydrophobicContact CE-CB 4.28Å; D210-M213 PolarHBondContact O-N 2.96Å; D210-M213 PolarHBondContact OD1-N 2.98Å; D210-M213 WeakPolarHBondContact OD2-CE 3.28Å; D210-M213 WeakPolarHBondContact OD2-CG 3.46Å; D210-M213 VanDerWaalsContact OD2-SD 3.37Å; M213-E216 PolarHBondContact O-N 2.64Å; M213-I217 WeakPolarHBondContact O-CD1 3.43Å; M213-I217 VanDerWaalsContact O-CG1 3.32Å; M213-I217 WeakPolarHBondContact O-CG1 3.46Å; M213-I217 PolarHBondContact O-N 3.09Å
214	V	93.7	Very high	92.6	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-62.2	-46.3	178.4	172.6	0	0	0	0	110.7	L185 I189 M209 D210 E212 E216 L218 Y227	L185-V214 HydrophobicContact CD1-CG1 4.33Å; L185-V214 HydrophobicContact CD2-CG1 4.39Å; L185-V214 HydrophobicContact CD2-CG2 4.14Å; I189-V214 HydrophobicContact CD1-CG1 4.25Å; M209-V214 HydrophobicContact CB-CG2 3.84Å; M209-V214 HydrophobicContact CE-CG2 4.14Å; D210-V214 WeakPolarHBondContact O-CG2 3.26Å; D210-V214 PolarHBondContact O-N 2.75Å; D210-V214 VanDerWaalsContact O-N 3.14Å; E212-V214 PolarHBondContact O-N 3.4Å; V214-E216 VanDerWaalsContact C-N 3.34Å; V214-E216 PolarHBondContact O-N 2.84Å; V214-L218 HydrophobicContact CG1-CD1 3.81Å; V214-L218 HydrophobicContact CG1-CG 4.46Å; V214-L218 VanDerWaalsContact O-CG 3.24Å; V214-L218 WeakPolarHBondContact O-CG 3.26Å; V214-L218 PolarHBondContact O-N 3.27Å; V214-Y227 HydrophobicContact CB-CE1 4.12Å; V214-Y227 HydrophobicContact CG1-CD1 3.95Å; V214-Y227 HydrophobicContact CG1-CD2 4.06Å; V214-Y227 HydrophobicContact CG1-CE1 3.81Å; V214-Y227 HydrophobicContact CG1-CE2 3.9Å; V214-Y227 HydrophobicContact CG1-CG 4.08Å
215	L	92.8	Very high	92.7	Very high	46 Å²	46	65.8 Å²	65.8	24%	0.241	31%	0.312	C	S	.	.	H	α-helix	trans	-70.6	-27.6	-178.7	-70.9	172.6	0	0	0	113.2	D211 E212 K224 Y227 Q228	D211-L215 VanDerWaalsContact O-CB 3.24Å; D211-L215 WeakPolarHBondContact O-CB 3.5Å; D211-L215 WeakPolarHBondContact O-CD1 3.45Å; D211-L215 WeakPolarHBondContact O-CG 3.47Å; D211-L215 PolarHBondContact O-N 3.23Å; E212-L215 PolarHBondContact O-N 3.26Å; L215-K224 HydrophobicContact CD2-CB 4.12Å; L215-K224 HydrophobicContact CD2-CD 4.29Å; L215-K224 HydrophobicContact CD2-CG 4.07Å; L215-K224 VanDerWaalsContact O-CE 3.25Å; L215-K224 WeakPolarHBondContact O-CE 3.48Å; L215-K224 PolarHBondContact O-NZ 2.74Å; L215-Y227 HydrophobicContact CD2-CD1 4.1Å; L215-Y227 HydrophobicContact CG-CD1 4.36Å; L215-Q228 HydrophobicContact CD2-CG 4.33Å
216	E	92.6	Very high	92.8	Very high	137 Å²	137	69.4 Å²	69.4	64%	0.64	32%	0.323	S	S	*	.	H	α-helix	trans	-69.1	-47.8	174.9	-174.3	-176.7	175.8	0	0	111.4	E212 M213 V214	E212-E216 WeakPolarHBondContact O-CB 3.42Å; E212-E216 PolarHBondContact O-N 2.91Å; M213-E216 PolarHBondContact O-N 2.64Å; V214-E216 VanDerWaalsContact C-N 3.34Å; V214-E216 PolarHBondContact O-N 2.84Å
217	I	93.4	Very high	92.9	Very high	10 Å²	10	63.7 Å²	63.7	5%	0.051	29%	0.292	C	S	.	.	H	α-helix	trans	-68.2	-41.1	-176.2	-67.6	166.7	0	0	0	111.7	F168 W181 R182 L185 M209 M213	F168-I217 HydrophobicContact CD1-CD1 3.68Å; F168-I217 HydrophobicContact CD1-CG1 4.32Å; F168-I217 HydrophobicContact CD2-CD1 4.35Å; F168-I217 HydrophobicContact CD2-CG1 4.11Å; F168-I217 HydrophobicContact CE1-CD1 3.7Å; F168-I217 HydrophobicContact CE1-CG1 4.37Å; F168-I217 HydrophobicContact CE2-CD1 4.36Å; F168-I217 HydrophobicContact CE2-CG1 4.15Å; F168-I217 HydrophobicContact CG-CD1 4.02Å; F168-I217 HydrophobicContact CG-CG1 4.19Å; F168-I217 HydrophobicContact CZ-CD1 4.05Å; F168-I217 HydrophobicContact CZ-CG1 4.28Å; W181-I217 HydrophobicContact CB-CD1 4.33Å; W181-I217 HydrophobicContact CB-CG2 3.69Å; W181-I217 HydrophobicContact CG-CD1 4.36Å; R182-I217 HydrophobicContact CG-CG2 3.83Å; R182-I217 WeakPolarHBondContact CG-O 3.36Å; R182-I217 PolarHBondContact NE-O 2.81Å; L185-I217 HydrophobicContact CD1-CB 3.86Å; L185-I217 HydrophobicContact CD1-CD1 4.14Å; L185-I217 HydrophobicContact CD1-CG2 3.67Å; M209-I217 HydrophobicContact CE-CD1 3.58Å; M213-I217 WeakPolarHBondContact O-CD1 3.43Å; M213-I217 VanDerWaalsContact O-CG1 3.32Å; M213-I217 WeakPolarHBondContact O-CG1 3.46Å; M213-I217 PolarHBondContact O-N 3.09Å
218	L	93.8	Very high	92.9	Very high	4 Å²	4	67.3 Å²	67.3	2%	0.021	31%	0.308	C	S	.	.			trans	-63.2	140.4	-179.4	-72	173.6	0	0	0	110.7	L185 I189 V214 V223 K224	L185-L218 HydrophobicContact CB-CD2 3.87Å; L185-L218 HydrophobicContact CB-CG 4.48Å; L185-L218 HydrophobicContact CD1-CD2 4.41Å; L185-L218 HydrophobicContact CD1-CG 4.28Å; I189-L218 HydrophobicContact CD1-CD1 3.78Å; V214-L218 HydrophobicContact CG1-CD1 3.81Å; V214-L218 HydrophobicContact CG1-CG 4.46Å; V214-L218 VanDerWaalsContact O-CG 3.24Å; V214-L218 WeakPolarHBondContact O-CG 3.26Å; V214-L218 PolarHBondContact O-N 3.27Å; L218-V223 HydrophobicContact CD1-CG1 4.08Å; L218-V223 HydrophobicContact CD2-CB 4.46Å; L218-V223 HydrophobicContact CD2-CG1 3.76Å; L218-K224 VanDerWaalsContact C-CE 3.4Å; L218-K224 HydrophobicContact CB-CD 4.44Å; L218-K224 HydrophobicContact CB-CG 3.81Å; L218-K224 HydrophobicContact CD1-CG 4.19Å; L218-K224 WeakPolarHBondContact O-CE 3.35Å; L218-K224 PolarHBondContact O-NZ 3.33Å
219	Q	91.4	Very high	92.9	Very high	127 Å²	127	69.7 Å²	69.7	59%	0.593	32%	0.316	S	S	*	.			trans	-110.8	-39.1	174.6	-70.1	-176.9	-18.8	0	0	111.9	H221	Q219-H221 PolarHBondContact O-N 3.28Å
220	D	94	Very high	92.9	Very high	84 Å²	84	69.8 Å²	69.8	45%	0.449	32%	0.317	S	S	.	.			trans	-69.7	120.4	-178.9	-170.3	-22.1	0	0	0	111.6	Q222 V223 K224	D220-Q222 VanDerWaalsContact C-N 3.28Å; D220-Q222 PolarHBondContact O-N 2.95Å; D220-Q222 WeakPolarHBondContact OD1-CB 3.35Å; D220-Q222 PolarHBondContact OD1-N 3.31Å; D220-V223 HydrophobicContact CB-CB 4.24Å; D220-V223 HydrophobicContact CB-CG2 3.83Å; D220-V223 PolarHBondContact O-N 3.48Å; D220-K224 WeakPolarHBondContact O-CG 3.25Å; D220-K224 PolarHBondContact O-N 3.18Å
221	H	94	Very high	92.9	Very high	145 Å²	145	69 Å²	69	67%	0.671	31%	0.313	S	S	*	.	H	α-helix	trans	-63	-30.3	177.9	-74.4	-68.6	0	0	0	113.7	Q219 R225	Q219-H221 PolarHBondContact O-N 3.28Å; H221-R225 WeakPolarHBondContact O-CB 3.28Å; H221-R225 WeakPolarHBondContact O-CG 3.4Å; H221-R225 PolarHBondContact O-N 3.29Å
222	Q	94.9	Very high	93	Very high	145 Å²	145	68.3 Å²	68.3	68%	0.678	31%	0.309	S	S	*	.	H	α-helix	trans	-67.9	-43.6	176.8	-64.7	-170	-5.4	0	0	110.7	D220 R225 R226	D220-Q222 VanDerWaalsContact C-N 3.28Å; D220-Q222 PolarHBondContact O-N 2.95Å; D220-Q222 WeakPolarHBondContact OD1-CB 3.35Å; D220-Q222 PolarHBondContact OD1-N 3.31Å; Q222-R225 PolarHBondContact O-N 3.36Å; Q222-R226 WeakPolarHBondContact O-CB 3.14Å; Q222-R226 PolarHBondContact O-N 2.94Å
223	V	94.6	Very high	93	Very high	4 Å²	4	64.8 Å²	64.8	2%	0.024	29%	0.291	C	S	.	.	H	α-helix	trans	-65.1	-42.4	176.6	-174.4	0	0	0	0	110.5	T186 I189 M190 L218 D220 R225 R226 Y227	T186-V223 HydrophobicContact CG2-CG1 4.44Å; T186-V223 HydrophobicContact CG2-CG2 3.92Å; I189-V223 HydrophobicContact CB-CG1 4.19Å; I189-V223 HydrophobicContact CD1-CG1 4.03Å; I189-V223 HydrophobicContact CG2-CG1 4.01Å; M190-V223 HydrophobicContact CG-CG1 4.39Å; M190-V223 HydrophobicContact CG-CG2 4.12Å; M190-V223 HydrophobicContact SD-CG2 4.22Å; L218-V223 HydrophobicContact CD1-CG1 4.08Å; L218-V223 HydrophobicContact CD2-CB 4.46Å; L218-V223 HydrophobicContact CD2-CG1 3.76Å; D220-V223 HydrophobicContact CB-CB 4.24Å; D220-V223 HydrophobicContact CB-CG2 3.83Å; D220-V223 PolarHBondContact O-N 3.48Å; V223-R225 PolarHBondContact O-N 3.4Å; V223-R226 PolarHBondContact O-N 2.94Å; V223-Y227 PolarHBondContact O-N 3.33Å
224	K	94.1	Very high	92.9	Very high	51 Å²	51	64.3 Å²	64.3	22%	0.222	29%	0.291	C	S	.	.	H	α-helix	trans	-58.8	-46	173.9	-69.6	-170.1	-169.2	-158.7	0	112.5	L215 L218 D220 R226 Y227 Q228	L215-K224 HydrophobicContact CD2-CB 4.12Å; L215-K224 HydrophobicContact CD2-CD 4.29Å; L215-K224 HydrophobicContact CD2-CG 4.07Å; L215-K224 VanDerWaalsContact O-CE 3.25Å; L215-K224 WeakPolarHBondContact O-CE 3.48Å; L215-K224 PolarHBondContact O-NZ 2.74Å; L218-K224 VanDerWaalsContact C-CE 3.4Å; L218-K224 HydrophobicContact CB-CD 4.44Å; L218-K224 HydrophobicContact CB-CG 3.81Å; L218-K224 HydrophobicContact CD1-CG 4.19Å; L218-K224 WeakPolarHBondContact O-CE 3.35Å; L218-K224 PolarHBondContact O-NZ 3.33Å; D220-K224 WeakPolarHBondContact O-CG 3.25Å; D220-K224 PolarHBondContact O-N 3.18Å; K224-R226 VanDerWaalsContact C-N 3.32Å; K224-R226 PolarHBondContact O-N 2.85Å; K224-Y227 PolarHBondContact O-N 2.96Å; K224-Q228 WeakPolarHBondContact O-CG 3.47Å; K224-Q228 PolarHBondContact O-N 2.92Å
225	R	91.9	Very high	92.8	Very high	192 Å²	192	64.4 Å²	64.4	73%	0.725	29%	0.292	S	S	*	.	H	α-helix	trans	-62.9	-40.6	176.7	-79.1	-176	179.6	-168.2	0.7	111.7	H221 Q222 V223 Y229	H221-R225 WeakPolarHBondContact O-CB 3.28Å; H221-R225 WeakPolarHBondContact O-CG 3.4Å; H221-R225 PolarHBondContact O-N 3.29Å; Q222-R225 PolarHBondContact O-N 3.36Å; V223-R225 PolarHBondContact O-N 3.4Å; R225-Y229 WeakPolarHBondContact O-CB 3.22Å; R225-Y229 PolarHBondContact O-N 3.42Å
226	R	93.5	Very high	92.9	Very high	96 Å²	96	62.3 Å²	62.3	36%	0.362	28%	0.281	S	S	.	.	H	α-helix	trans	-62.5	-46.1	176.5	-178.1	59.9	172.8	166.6	-1.6	111	I189 M190 Q222 V223 K224 Y229 L230	I189-R226 HydrophobicContact CG2-CB 4.03Å; I189-R226 HydrophobicContact CG2-CG 3.75Å; M190-R226 HydrophobicContact SD-CB 3.93Å; M190-R226 HydrophobicContact SD-CG 3.79Å; Q222-R226 WeakPolarHBondContact O-CB 3.14Å; Q222-R226 PolarHBondContact O-N 2.94Å; V223-R226 PolarHBondContact O-N 2.94Å; K224-R226 VanDerWaalsContact C-N 3.32Å; K224-R226 PolarHBondContact O-N 2.85Å; R226-Y229 PolarHBondContact O-N 3.3Å; R226-L230 HydrophobicContact CG-CD1 4.01Å; R226-L230 HydrophobicContact CG-CG 4.46Å; R226-L230 VanDerWaalsContact O-CG 3.28Å; R226-L230 WeakPolarHBondContact O-CG 3.48Å; R226-L230 PolarHBondContact O-N 3.44Å
227	Y	94.5	Very high	92.8	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-56.2	-55.6	175.5	-177.5	-110.6	0	0	0	111.3	I189 I198 D211 V214 L215 V223 K224 Y229 L230 T231	I189-Y227 HydrophobicContact CD1-CD2 3.71Å; I189-Y227 HydrophobicContact CD1-CG 4.09Å; I189-Y227 HydrophobicContact CG1-CD2 3.87Å; I198-Y227 HydrophobicContact CD1-CD2 4.17Å; I198-Y227 HydrophobicContact CD1-CE2 3.67Å; D211-Y227 HydrophobicContact CB-CE1 4.27Å; D211-Y227 PolarHBondContact OD1-OH 2.97Å; V214-Y227 HydrophobicContact CB-CE1 4.12Å; V214-Y227 HydrophobicContact CG1-CD1 3.95Å; V214-Y227 HydrophobicContact CG1-CD2 4.06Å; V214-Y227 HydrophobicContact CG1-CE1 3.81Å; V214-Y227 HydrophobicContact CG1-CE2 3.9Å; V214-Y227 HydrophobicContact CG1-CG 4.08Å; L215-Y227 HydrophobicContact CD2-CD1 4.1Å; L215-Y227 HydrophobicContact CG-CD1 4.36Å; V223-Y227 PolarHBondContact O-N 3.33Å; K224-Y227 PolarHBondContact O-N 2.96Å; Y227-Y229 VanDerWaalsContact C-N 3.27Å; Y227-Y229 PolarHBondContact O-N 3Å; Y227-L230 PolarHBondContact O-N 3.48Å; Y227-T231 PolarHBondContact O-N 2.69Å; Y227-T231 PolarHBondContact O-OG1 3.28Å
228	Q	91.9	Very high	92.5	Very high	97 Å²	97	62.8 Å²	62.8	45%	0.453	29%	0.287	S	S	.	.	H	α-helix	trans	-55.7	-41.9	178.7	-71.1	173.3	-21.8	0	0	112.4	L215 K224 L232	L215-Q228 HydrophobicContact CD2-CG 4.33Å; K224-Q228 WeakPolarHBondContact O-CG 3.47Å; K224-Q228 PolarHBondContact O-N 2.92Å; Q228-L232 WeakPolarHBondContact O-CG 3.34Å; Q228-L232 PolarHBondContact O-N 3.02Å; Q228-L232 VanDerWaalsContact O-N 3.11Å
229	Y	91.6	Very high	92.3	Very high	78 Å²	78	63.8 Å²	63.8	31%	0.306	30%	0.295	S	S	.	.	H	α-helix	trans	-61.8	-45.2	174.4	168.7	-96.9	0	0	0	111.9	L64 R225 R226 Y227 L232 K233 W244	L64-Y229 HydrophobicContact CD1-CD2 4.44Å; R225-Y229 WeakPolarHBondContact O-CB 3.22Å; R225-Y229 PolarHBondContact O-N 3.42Å; R226-Y229 PolarHBondContact O-N 3.3Å; Y227-Y229 VanDerWaalsContact C-N 3.27Å; Y227-Y229 PolarHBondContact O-N 3Å; Y229-L232 PolarHBondContact O-N 3.33Å; Y229-K233 HydrophobicContact CE1-CB 4.37Å; Y229-K233 HydrophobicContact CE1-CD 4.08Å; Y229-K233 VanDerWaalsContact O-CB 3.26Å; Y229-K233 WeakPolarHBondContact O-CB 3.28Å; Y229-K233 PolarHBondContact O-N 2.84Å; Y229-W244 AromaticContact CE2-CH2 3.93Å; Y229-W244 HydrophobicContact CE2-CH2 3.93Å; Y229-W244 HydrophobicContact CE2-CZ3 4.38Å
230	L	92.7	Very high	92.2	Very high	5 Å²	5	67.7 Å²	67.7	3%	0.026	30%	0.304	C	S	.	.	H	α-helix	trans	-68.1	-35.8	-179.3	-67.2	168.2	0	0	0	112.3	I189 R226 Y227 K233 T234	I189-L230 HydrophobicContact CG2-CD1 4.17Å; R226-L230 HydrophobicContact CG-CD1 4.01Å; R226-L230 HydrophobicContact CG-CG 4.46Å; R226-L230 VanDerWaalsContact O-CG 3.28Å; R226-L230 WeakPolarHBondContact O-CG 3.48Å; R226-L230 PolarHBondContact O-N 3.44Å; Y227-L230 PolarHBondContact O-N 3.48Å; L230-K233 HydrophobicContact CD2-CD 4.33Å; L230-K233 WeakPolarHBondContact O-CB 3.34Å; L230-K233 PolarHBondContact O-N 2.88Å; L230-T234 PolarHBondContact O-N 3Å; L230-T234 PolarHBondContact O-OG1 3.18Å
231	T	92.2	Very high	92.1	Very high	5 Å²	5	65.7 Å²	65.7	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-58.2	-49.7	171.9	-53.1	0	0	0	0	110.3	M71 G195 Q196 Y227 T234 F235	M71-T231 HydrophobicContact CE-CG2 4.28Å; M71-T231 HydrophobicContact SD-CG2 4.47Å; G195-T231 PolarHBondContact O-OG1 2.91Å; Q196-T231 PolarHBondContact NE2-O 2.92Å; Y227-T231 PolarHBondContact O-N 2.69Å; Y227-T231 PolarHBondContact O-OG1 3.28Å; T231-T234 PolarHBondContact O-N 3.31Å; T231-F235 PolarHBondContact O-N 2.78Å; T231-F235 VanDerWaalsContact O-N 3.14Å
232	L	92.2	Very high	92.1	Very high	14 Å²	14	59 Å²	59	7%	0.073	26%	0.264	C	S	.	.	H	α-helix	trans	-67.5	-37.1	176.6	-66.6	173.7	0	0	0	112.7	V67 M71 Q228 Y229 T234 F235 V236	V67-L232 HydrophobicContact CG1-CD2 4.38Å; M71-L232 HydrophobicContact CE-CD2 4Å; M71-L232 HydrophobicContact SD-CD2 3.99Å; Q228-L232 WeakPolarHBondContact O-CG 3.34Å; Q228-L232 PolarHBondContact O-N 3.02Å; Q228-L232 VanDerWaalsContact O-N 3.11Å; Y229-L232 PolarHBondContact O-N 3.33Å; L232-T234 VanDerWaalsContact C-N 3.35Å; L232-T234 PolarHBondContact O-N 3.37Å; L232-F235 WeakPolarHBondContact O-CB 3.2Å; L232-F235 PolarHBondContact O-N 2.99Å; L232-V236 WeakPolarHBondContact O-CG2 2.91Å; L232-V236 PolarHBondContact O-N 3Å
233	K	91.7	Very high	92.1	Very high	68 Å²	68	56.1 Å²	56.1	30%	0.296	25%	0.247	S	C	.	.	H	α-helix	trans	-56.8	-50.7	175.6	-173.8	-170	167.8	-156.5	0	110.8	Y229 L230 F235 V236 E237 W244	Y229-K233 HydrophobicContact CE1-CB 4.37Å; Y229-K233 HydrophobicContact CE1-CD 4.08Å; Y229-K233 VanDerWaalsContact O-CB 3.26Å; Y229-K233 WeakPolarHBondContact O-CB 3.28Å; Y229-K233 PolarHBondContact O-N 2.84Å; L230-K233 HydrophobicContact CD2-CD 4.33Å; L230-K233 WeakPolarHBondContact O-CB 3.34Å; L230-K233 PolarHBondContact O-N 2.88Å; K233-F235 VanDerWaalsContact C-N 3.33Å; K233-F235 PolarHBondContact O-N 3.03Å; K233-V236 PolarHBondContact O-N 3.24Å; K233-E237 WeakPolarHBondContact CE-OE1 3.31Å; K233-E237 WeakPolarHBondContact CE-OE2 3.21Å; K233-E237 HydrophobicContact CG-CG 4.49Å; K233-E237 IonicContact NZ-OE1 3.67Å; K233-E237 WeakPolarHBondContact O-CB 3.48Å; K233-E237 WeakPolarHBondContact O-CG 3.46Å; K233-E237 PolarHBondContact O-N 3.14Å; K233-W244 HydrophobicContact CB-CZ2 4.31Å; K233-W244 HydrophobicContact CG-CZ2 4.48Å
234	T	89.3	Confident	92.1	Very high	39 Å²	39	58 Å²	58	24%	0.239	25%	0.253	C	S	.	.	H	α-helix	trans	-63.9	-39.9	179.6	-48	0	0	0	0	111.5	Q196 L230 T231 L232 E237 S238	Q196-T234 HydrophobicContact CB-CG2 4.43Å; Q196-T234 HydrophobicContact CG-CG2 3.77Å; L230-T234 PolarHBondContact O-N 3Å; L230-T234 PolarHBondContact O-OG1 3.18Å; T231-T234 PolarHBondContact O-N 3.31Å; L232-T234 VanDerWaalsContact C-N 3.35Å; L232-T234 PolarHBondContact O-N 3.37Å; T234-E237 PolarHBondContact O-N 2.83Å; T234-S238 VanDerWaalsContact O-CB 3.31Å; T234-S238 WeakPolarHBondContact O-CB 3.26Å; T234-S238 PolarHBondContact O-N 3.15Å; T234-S238 PolarHBondContact O-OG 2.86Å
235	F	92.7	Very high	92.1	Very high	2 Å²	2	56 Å²	56	1%	0.009	25%	0.245	C	C	.	.	H	α-helix	trans	-59	-49.1	174.2	169.1	-115.2	0	0	0	112.1	V67 Y70 M71 I74 W98 T231 L232 K233 S238 S239 F242	V67-F235 HydrophobicContact CG1-CD1 3.86Å; V67-F235 HydrophobicContact CG1-CE1 3.91Å; Y70-F235 HydrophobicContact CD1-CZ 4.26Å; M71-F235 HydrophobicContact CB-CD1 3.99Å; M71-F235 HydrophobicContact CB-CE1 3.87Å; M71-F235 HydrophobicContact CB-CE2 4.48Å; M71-F235 HydrophobicContact CB-CG 4.35Å; M71-F235 HydrophobicContact CB-CZ 4.12Å; M71-F235 HydrophobicContact CG-CD1 4.14Å; M71-F235 HydrophobicContact CG-CD2 4.07Å; M71-F235 HydrophobicContact CG-CE1 4.35Å; M71-F235 HydrophobicContact CG-CE2 4.27Å; M71-F235 HydrophobicContact CG-CG 3.98Å; M71-F235 HydrophobicContact CG-CZ 4.4Å; M71-F235 HydrophobicContact SD-CB 3.96Å; M71-F235 HydrophobicContact SD-CD1 4.34Å; M71-F235 HydrophobicContact SD-CG 4.02Å; I74-F235 HydrophobicContact CD1-CE2 4.12Å; I74-F235 HydrophobicContact CD1-CZ 3.9Å; W98-F235 AromaticContact CD2-CD2 3.41Å; W98-F235 HydrophobicContact CD2-CD2 3.41Å; W98-F235 VanDerWaalsContact CD2-CD2 3.41Å; W98-F235 AromaticContact CD2-CE2 3.69Å; W98-F235 HydrophobicContact CD2-CE2 3.69Å; W98-F235 AromaticContact CE2-CD2 3.43Å; W98-F235 VanDerWaalsContact CE2-CD2 3.43Å; W98-F235 AromaticContact CE3-CD2 3.71Å; W98-F235 HydrophobicContact CE3-CD2 3.71Å; W98-F235 AromaticContact CE3-CE2 3.55Å; W98-F235 HydrophobicContact CE3-CE2 3.55Å; W98-F235 AromaticContact CG-CD2 3.86Å; W98-F235 HydrophobicContact CG-CD2 3.86Å; W98-F235 HydrophobicContact CG-CE2 4.18Å; W98-F235 HydrophobicContact CH2-CD2 4.05Å; W98-F235 HydrophobicContact CH2-CE2 4.37Å; W98-F235 HydrophobicContact CZ2-CB 4.41Å; W98-F235 AromaticContact CZ2-CD2 3.77Å; W98-F235 HydrophobicContact CZ2-CD2 3.77Å; W98-F235 HydrophobicContact CZ2-CE2 4.49Å; W98-F235 HydrophobicContact CZ2-CG 4.42Å; W98-F235 HydrophobicContact CZ3-CD2 4.01Å; W98-F235 AromaticContact CZ3-CE2 3.91Å; W98-F235 HydrophobicContact CZ3-CE2 3.91Å; W98-F235 AromaticContact NE1-CD2 3.86Å; T231-F235 PolarHBondContact O-N 2.78Å; T231-F235 VanDerWaalsContact O-N 3.14Å; L232-F235 WeakPolarHBondContact O-CB 3.2Å; L232-F235 PolarHBondContact O-N 2.99Å; K233-F235 VanDerWaalsContact C-N 3.33Å; K233-F235 PolarHBondContact O-N 3.03Å; F235-S238 PolarHBondContact O-N 2.87Å; F235-S239 WeakPolarHBondContact O-CB 3.34Å; F235-S239 PolarHBondContact O-N 3.49Å; F235-F242 HydrophobicContact CE1-CD2 4.14Å; F235-F242 AromaticContact CE1-CE2 3.88Å; F235-F242 HydrophobicContact CE1-CE2 3.88Å; F235-F242 HydrophobicContact CZ-CD2 4.2Å; F235-F242 AromaticContact CZ-CE2 3.76Å; F235-F242 HydrophobicContact CZ-CE2 3.76Å
236	V	93.5	Very high	92.3	Very high	1 Å²	1	50 Å²	50	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-64	-43.6	178.9	171.2	0	0	0	0	111.3	V67 L232 K233 S238 S239 F242 W244 V253	V67-V236 HydrophobicContact CG1-CG2 3.74Å; L232-V236 WeakPolarHBondContact O-CG2 2.91Å; L232-V236 PolarHBondContact O-N 3Å; K233-V236 PolarHBondContact O-N 3.24Å; V236-S238 VanDerWaalsContact C-N 3.32Å; V236-S238 PolarHBondContact O-N 3.47Å; V236-S239 PolarHBondContact O-N 3.38Å; V236-F242 HydrophobicContact CB-CB 4.42Å; V236-F242 HydrophobicContact CG1-CB 3.9Å; V236-F242 HydrophobicContact CG2-CB 4.44Å; V236-W244 HydrophobicContact CB-CZ2 4.02Å; V236-W244 HydrophobicContact CG1-CD2 4.22Å; V236-W244 HydrophobicContact CG1-CG 4.1Å; V236-W244 HydrophobicContact CG1-CZ2 4.28Å; V236-W244 HydrophobicContact CG2-CZ2 3.95Å; V236-V253 HydrophobicContact CG1-CG1 3.93Å; V236-V253 HydrophobicContact CG1-CG2 4.48Å; V236-V253 HydrophobicContact CG2-CG1 4.07Å; V236-V253 HydrophobicContact CG2-CG2 4.14Å
237	E	90.2	Very high	92.2	Very high	117 Å²	117	46.5 Å²	46.5	55%	0.547	22%	0.223	S	C	.	.	H	α-helix	trans	-69.6	-27.2	-179.2	-72.2	175.7	161.7	0	0	113.4	K233 T234	K233-E237 WeakPolarHBondContact CE-OE1 3.31Å; K233-E237 WeakPolarHBondContact CE-OE2 3.21Å; K233-E237 HydrophobicContact CG-CG 4.49Å; K233-E237 IonicContact NZ-OE1 3.67Å; K233-E237 WeakPolarHBondContact O-CB 3.48Å; K233-E237 WeakPolarHBondContact O-CG 3.46Å; K233-E237 PolarHBondContact O-N 3.14Å; T234-E237 PolarHBondContact O-N 2.83Å
238	S	88.3	Confident	92	Very high	40 Å²	40	52.1 Å²	52.1	28%	0.28	26%	0.26	S	S	.	.	H	α-helix	trans	-80.8	-20.3	175.9	-56.3	0	0	0	0	112.6	T234 F235 V236	T234-S238 VanDerWaalsContact O-CB 3.31Å; T234-S238 WeakPolarHBondContact O-CB 3.26Å; T234-S238 PolarHBondContact O-N 3.15Å; T234-S238 PolarHBondContact O-OG 2.86Å; F235-S238 PolarHBondContact O-N 2.87Å; V236-S238 VanDerWaalsContact C-N 3.32Å; V236-S238 PolarHBondContact O-N 3.47Å
239	S	89.1	Confident	91.9	Very high	26 Å²	26	54.1 Å²	54.1	18%	0.182	29%	0.285	C	S	.	.			trans	-88.3	136.5	-176.1	-172.6	0	0	0	0	112.5	F235 V236 V241 F242	F235-S239 WeakPolarHBondContact O-CB 3.34Å; F235-S239 PolarHBondContact O-N 3.49Å; V236-S239 PolarHBondContact O-N 3.38Å; S239-V241 VanDerWaalsContact C-N 3.32Å; S239-V241 VanDerWaalsContact OG-CG2 3.26Å; S239-V241 WeakPolarHBondContact OG-CG2 3.49Å; S239-V241 PolarHBondContact OG-N 2.63Å; S239-F242 WeakPolarHBondContact OG-CD2 3.33Å
240	R	88.5	Confident	91.9	Very high	208 Å²	208	51.4 Å²	51.4	79%	0.785	28%	0.277	S	S	*	.	S	Bend	trans	-76.5	-19.9	175.1	-60.3	-175.1	-175.2	-171.2	3	113.6	S259	R240-S259 WeakPolarHBondContact O-CB 3.4Å; R240-S259 PolarHBondContact O-OG 3.22Å; R240-S259 VanDerWaalsContact O-OG 3.08Å
241	V	92	Very high	91.8	Very high	43 Å²	43	53.6 Å²	53.6	26%	0.261	30%	0.296	S	S	.	.	S	Bend	trans	-101.1	-4.3	-174.8	-64.7	0	0	0	0	113.3	S239 K255 V256	S239-V241 VanDerWaalsContact C-N 3.32Å; S239-V241 VanDerWaalsContact OG-CG2 3.26Å; S239-V241 WeakPolarHBondContact OG-CG2 3.49Å; S239-V241 PolarHBondContact OG-N 2.63Å; V241-K255 CarbonylContact O-C 3.51Å; V241-K255 VanDerWaalsContact O-CA 3.3Å; V241-K255 WeakPolarHBondContact O-CA 3.37Å; V241-V256 HydrophobicContact CB-CG2 4.41Å; V241-V256 WeakPolarHBondContact CB-O 2.77Å; V241-V256 PolarHBondContact O-N 3.03Å
242	F	94.4	Very high	92	Very high	5 Å²	5	56 Å²	56	2%	0.022	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	147.1	174.2	-65.9	-69.6	0	0	0	111.6	L62 Y70 F235 V236 S239 V253 I254 K255	L62-F242 HydrophobicContact CD1-CE1 3.82Å; Y70-F242 AromaticContact CD1-CE2 3.77Å; Y70-F242 HydrophobicContact CD1-CE2 3.77Å; Y70-F242 AromaticContact CD1-CZ 3.42Å; Y70-F242 HydrophobicContact CD1-CZ 3.42Å; Y70-F242 VanDerWaalsContact CD1-CZ 3.42Å; Y70-F242 AromaticContact CE1-CE2 3.78Å; Y70-F242 HydrophobicContact CE1-CE2 3.78Å; Y70-F242 AromaticContact CE1-CZ 3.54Å; Y70-F242 HydrophobicContact CE1-CZ 3.54Å; Y70-F242 HydrophobicContact CG-CZ 4.09Å; F235-F242 HydrophobicContact CE1-CD2 4.14Å; F235-F242 AromaticContact CE1-CE2 3.88Å; F235-F242 HydrophobicContact CE1-CE2 3.88Å; F235-F242 HydrophobicContact CZ-CD2 4.2Å; F235-F242 AromaticContact CZ-CE2 3.76Å; F235-F242 HydrophobicContact CZ-CE2 3.76Å; V236-F242 HydrophobicContact CB-CB 4.42Å; V236-F242 HydrophobicContact CG1-CB 3.9Å; V236-F242 HydrophobicContact CG2-CB 4.44Å; S239-F242 WeakPolarHBondContact OG-CD2 3.33Å; F242-V253 HydrophobicContact CB-CG1 3.92Å; F242-V253 HydrophobicContact CD1-CG1 3.87Å; F242-V253 HydrophobicContact CG-CG1 4.29Å; F242-I254 CarbonylContact C-O 3.56Å; F242-I254 VanDerWaalsContact CA-O 3.28Å; F242-I254 WeakPolarHBondContact CA-O 3.37Å; F242-K255 HydrophobicContact CD1-CB 3.78Å; F242-K255 HydrophobicContact CD1-CG 4.04Å; F242-K255 HydrophobicContact CE1-CB 3.56Å; F242-K255 HydrophobicContact CE1-CD 3.73Å; F242-K255 HydrophobicContact CE1-CG 3.51Å; F242-K255 HydrophobicContact CZ-CD 4.07Å; F242-K255 HydrophobicContact CZ-CG 4.1Å
243	R	94.7	Very high	92.2	Very high	84 Å²	84	55.4 Å²	55.4	32%	0.317	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	142.2	169.4	-172.1	166.7	-65.2	-98.8	3.7	112.3	V253 I254 F272 F274 Q275	R243-V253 CarbonylContact O-C 3.55Å; R243-V253 WeakPolarHBondContact O-CA 3.4Å; R243-I254 PolarHBondContact N-O 3.05Å; R243-I254 PolarHBondContact O-N 2.99Å; R243-F272 HydrophobicContact CG-CE2 4.24Å; R243-F274 HydrophobicContact CB-CD2 4.1Å; R243-F274 HydrophobicContact CB-CE2 3.57Å; R243-F274 HydrophobicContact CB-CZ 4Å; R243-F274 WeakPolarHBondContact CD-O 3.44Å; R243-F274 PolarHBondContact NE-O 3.28Å; R243-Q275 PolarHBondContact NH2-O 2.86Å
244	W	94.8	Very high	92.4	Very high	43 Å²	43	52.1 Å²	52.1	16%	0.163	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	143.4	171.6	-66.4	101	0	0	0	112.3	L64 Y229 K233 V236 V253	L64-W244 HydrophobicContact CD2-CH2 3.29Å; L64-W244 HydrophobicContact CD2-CZ2 4.45Å; L64-W244 HydrophobicContact CD2-CZ3 3.64Å; Y229-W244 AromaticContact CE2-CH2 3.93Å; Y229-W244 HydrophobicContact CE2-CH2 3.93Å; Y229-W244 HydrophobicContact CE2-CZ3 4.38Å; K233-W244 HydrophobicContact CB-CZ2 4.31Å; K233-W244 HydrophobicContact CG-CZ2 4.48Å; V236-W244 HydrophobicContact CB-CZ2 4.02Å; V236-W244 HydrophobicContact CG1-CD2 4.22Å; V236-W244 HydrophobicContact CG1-CG 4.1Å; V236-W244 HydrophobicContact CG1-CZ2 4.28Å; V236-W244 HydrophobicContact CG2-CZ2 3.95Å; W244-V253 HydrophobicContact CD2-CG2 3.99Å; W244-V253 HydrophobicContact CE3-CG2 3.59Å; W244-V253 HydrophobicContact CH2-CG2 3.9Å; W244-V253 HydrophobicContact CZ2-CG2 4.19Å; W244-V253 HydrophobicContact CZ3-CG2 3.58Å
245	C	95.6	Very high	92.7	Very high	8 Å²	8	52.2 Å²	52.2	5%	0.054	29%	0.285	C	S	.	.			trans	-63.1	130	163.8	-174.7	0	0	0	0	109.7	A247 C250 F252 C266	C245-A247 PolarHBondContact O-N 2.76Å; C245-C250 HydrophobicContact CB-CB 4.14Å; C245-C250 VanDerWaalsContact SG-SG 3.64Å; C245-F252 PolarHBondContact N-O 2.93Å; C245-C266 HydrophobicContact CB-CB 4.31Å; C245-C266 VanDerWaalsContact SG-SG 3.63Å
246	P	95.1	Very high	92.8	Very high	67 Å²	67	52.3 Å²	52.3	44%	0.435	29%	0.286	S	S	.	.			trans	-76.3	-8.5	-179.3	30.6	-35	0	0	0	113.3	F272	P246-F272 VanDerWaalsContact CD-CE1 3.43Å; P246-F272 HydrophobicContact CG-CB 3.88Å; P246-F272 HydrophobicContact CG-CD1 3.86Å; P246-F272 HydrophobicContact CG-CD2 4.18Å; P246-F272 HydrophobicContact CG-CE1 4.4Å; P246-F272 HydrophobicContact CG-CG 3.72Å
247	A	92.3	Very high	92.7	Very high	22 Å²	22	59.7 Å²	59.7	18%	0.182	32%	0.321	C	S	.	.	S	Bend	trans	-63.8	134.1	-179.4	0	0	0	0	0	111.4	C245 S249 C250 C270	C245-A247 PolarHBondContact O-N 2.76Å; A247-S249 PolarHBondContact O-N 2.97Å; A247-C250 HydrophobicContact CB-CB 3.8Å; A247-C250 VanDerWaalsContact O-CB 3.28Å; A247-C250 WeakPolarHBondContact O-CB 3.42Å; A247-C250 PolarHBondContact O-N 2.93Å; A247-C250 VanDerWaalsContact O-N 3.11Å; A247-C270 HydrophobicContact CB-CB 3.87Å
248	P	90.1	Very high	92.7	Very high	122 Å²	122	61.2 Å²	61.2	79%	0.792	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	137.2	175.3	-24.5	33.4	0	0	0	111.1	C250	P248-C250 PolarHBondContact O-N 3.24Å; P248-C250 VanDerWaalsContact O-N 3.11Å
249	S	88.1	Confident	92.8	Very high	139 Å²	139	61.6 Å²	61.6	97%	0.972	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	9.4	179.6	-49.2	0	0	0	0	115.7	A247	A247-S249 PolarHBondContact O-N 2.97Å
250	C	93.1	Very high	93	Very high	22 Å²	22	63.5 Å²	63.5	15%	0.149	34%	0.338	C	S	.	.			trans	-92.6	122.2	174.5	-170.7	0	0	0	0	110.7	C245 A247 P248 C268	C245-C250 HydrophobicContact CB-CB 4.14Å; C245-C250 VanDerWaalsContact SG-SG 3.64Å; A247-C250 HydrophobicContact CB-CB 3.8Å; A247-C250 VanDerWaalsContact O-CB 3.28Å; A247-C250 WeakPolarHBondContact O-CB 3.42Å; A247-C250 PolarHBondContact O-N 2.93Å; A247-C250 VanDerWaalsContact O-N 3.11Å; P248-C250 PolarHBondContact O-N 3.24Å; P248-C250 VanDerWaalsContact O-N 3.11Å; C250-C268 VanDerWaalsContact SG-SG 3.63Å
251	A	91	Very high	93.3	Very high	50 Å²	50	55.2 Å²	55.2	41%	0.413	31%	0.314	S	S	.	.			trans	-104.8	14.1	-178.9	0	0	0	0	0	113.5	L64	L64-A251 HydrophobicContact CD1-CB 4.04Å; L64-A251 HydrophobicContact CG-CB 4.48Å
252	F	95.4	Very high	93.4	Very high	57 Å²	57	57.2 Å²	57.2	25%	0.25	32%	0.32	C	S	.	.			trans	-78.5	146.9	175.8	-69.5	-69	0	0	0	111.2	V61 L62 T63 C245 R267	V61-F252 HydrophobicContact CG1-CB 3.84Å; V61-F252 HydrophobicContact CG1-CD1 4.09Å; V61-F252 HydrophobicContact CG1-CG 4.03Å; L62-F252 WeakPolarHBondContact O-CA 3.43Å; L62-F252 WeakPolarHBondContact O-CD1 3.38Å; T63-F252 HydrophobicContact CG2-CD1 4.38Å; T63-F252 HydrophobicContact CG2-CE1 3.87Å; C245-F252 PolarHBondContact N-O 2.93Å; F252-R267 HydrophobicContact CD2-CB 4.42Å; F252-R267 HydrophobicContact CE2-CB 4.17Å; F252-R267 HydrophobicContact CZ-CB 4.44Å
253	V	96.4	Very high	93.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	135.8	176.5	180	0	0	0	0	108.6	L62 V67 V236 F242 R243 W244	L62-V253 PolarHBondContact N-O 2.95Å; L62-V253 PolarHBondContact O-N 3.31Å; V67-V253 HydrophobicContact CG2-CB 3.82Å; V67-V253 HydrophobicContact CG2-CG1 4.16Å; V67-V253 HydrophobicContact CG2-CG2 3.99Å; V236-V253 HydrophobicContact CG1-CG1 3.93Å; V236-V253 HydrophobicContact CG1-CG2 4.48Å; V236-V253 HydrophobicContact CG2-CG1 4.07Å; V236-V253 HydrophobicContact CG2-CG2 4.14Å; F242-V253 HydrophobicContact CB-CG1 3.92Å; F242-V253 HydrophobicContact CD1-CG1 3.87Å; F242-V253 HydrophobicContact CG-CG1 4.29Å; R243-V253 CarbonylContact O-C 3.55Å; R243-V253 WeakPolarHBondContact O-CA 3.4Å; W244-V253 HydrophobicContact CD2-CG2 3.99Å; W244-V253 HydrophobicContact CE3-CG2 3.59Å; W244-V253 HydrophobicContact CH2-CG2 3.9Å; W244-V253 HydrophobicContact CZ2-CG2 4.19Å; W244-V253 HydrophobicContact CZ3-CG2 3.58Å
254	I	96.8	Very high	93.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	133.1	174	-51	-59.4	0	0	0	108.5	Y59 E60 V61 F242 R243 V256 V264 C266 F272 F274	Y59-I254 HydrophobicContact CD2-CG2 3.93Å; Y59-I254 HydrophobicContact CG-CG2 4.29Å; E60-I254 CarbonylContact O-C 3.52Å; E60-I254 WeakPolarHBondContact O-CA 3.22Å; V61-I254 HydrophobicContact CB-CD1 4.18Å; V61-I254 HydrophobicContact CG1-CD1 3.96Å; V61-I254 HydrophobicContact CG2-CD1 3.69Å; F242-I254 CarbonylContact C-O 3.56Å; F242-I254 VanDerWaalsContact CA-O 3.28Å; F242-I254 WeakPolarHBondContact CA-O 3.37Å; R243-I254 PolarHBondContact N-O 3.05Å; R243-I254 PolarHBondContact O-N 2.99Å; I254-V256 HydrophobicContact CG2-CG1 4.34Å; I254-V264 HydrophobicContact CG1-CG2 4.26Å; I254-V264 HydrophobicContact CG2-CB 4.11Å; I254-V264 HydrophobicContact CG2-CG1 4.1Å; I254-V264 HydrophobicContact CG2-CG2 4.21Å; I254-C266 HydrophobicContact CD1-CB 4.3Å; I254-F272 HydrophobicContact CG1-CE1 4.08Å; I254-F272 HydrophobicContact CG1-CZ 3.6Å; I254-F274 HydrophobicContact CB-CD2 4.24Å; I254-F274 HydrophobicContact CB-CE2 4.07Å; I254-F274 HydrophobicContact CG2-CD2 3.95Å; I254-F274 HydrophobicContact CG2-CE2 4Å
255	K	95.4	Very high	93.4	Very high	40 Å²	40	59.3 Å²	59.3	17%	0.174	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	136.4	172.1	-179.3	-173.6	160.6	-137.8	0	109.6	Y59 E60 L62 V241 F242	Y59-K255 CarbonylContact C-O 3.42Å; Y59-K255 VanDerWaalsContact CA-O 3.22Å; Y59-K255 WeakPolarHBondContact CA-O 3.34Å; Y59-K255 WeakPolarHBondContact CB-O 3.25Å; E60-K255 HydrophobicContact CB-CB 4.32Å; E60-K255 PolarHBondContact N-O 2.86Å; E60-K255 PolarHBondContact O-N 3.35Å; E60-K255 IonicContact OE1-NZ 3.49Å; E60-K255 PolarHBondContact OE1-NZ 3.48Å; E60-K255 IonicContact OE2-NZ 2.84Å; L62-K255 HydrophobicContact CD1-CB 3.88Å; L62-K255 HydrophobicContact CD1-CD 4.06Å; L62-K255 HydrophobicContact CG-CB 4.39Å; V241-K255 CarbonylContact O-C 3.51Å; V241-K255 VanDerWaalsContact O-CA 3.3Å; V241-K255 WeakPolarHBondContact O-CA 3.37Å; F242-K255 HydrophobicContact CD1-CB 3.78Å; F242-K255 HydrophobicContact CD1-CG 4.04Å; F242-K255 HydrophobicContact CE1-CB 3.56Å; F242-K255 HydrophobicContact CE1-CD 3.73Å; F242-K255 HydrophobicContact CE1-CG 3.51Å; F242-K255 HydrophobicContact CZ-CD 4.07Å; F242-K255 HydrophobicContact CZ-CG 4.1Å
256	V	94.9	Very high	93.4	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.03	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	166.5	174.9	-57.4	0	0	0	0	110	Y57 V241 I254 Q258 F274	Y57-V256 HydrophobicContact CE1-CG1 3.86Å; Y57-V256 WeakPolarHBondContact OH-CG1 3.17Å; V241-V256 HydrophobicContact CB-CG2 4.41Å; V241-V256 WeakPolarHBondContact CB-O 2.77Å; V241-V256 PolarHBondContact O-N 3.03Å; I254-V256 HydrophobicContact CG2-CG1 4.34Å; V256-Q258 VanDerWaalsContact CG2-O 3.25Å; V256-Q258 WeakPolarHBondContact CG2-O 3.26Å; V256-F274 HydrophobicContact CB-CE1 4.3Å; V256-F274 HydrophobicContact CB-CE2 4.49Å; V256-F274 HydrophobicContact CB-CZ 4.25Å; V256-F274 HydrophobicContact CG1-CD1 4.05Å; V256-F274 HydrophobicContact CG1-CD2 3.64Å; V256-F274 HydrophobicContact CG1-CE1 4.04Å; V256-F274 HydrophobicContact CG1-CE2 3.62Å; V256-F274 HydrophobicContact CG1-CG 3.86Å; V256-F274 HydrophobicContact CG1-CZ 3.84Å; V256-F274 HydrophobicContact CG2-CD1 3.86Å; V256-F274 HydrophobicContact CG2-CE1 3.26Å; V256-F274 HydrophobicContact CG2-CE2 4.11Å; V256-F274 HydrophobicContact CG2-CZ 3.42Å; V256-F274 VanDerWaalsContact CG2-CZ 3.42Å
257	Q	90.8	Very high	93.3	Very high	156 Å²	156	64.1 Å²	64.1	73%	0.729	35%	0.347	S	S	*	.	S	Bend	trans	-80.9	-45.8	171.2	-65.1	-176.3	1.8	0	0	111.3
258	Q	89.6	Confident	93.2	Very high	149 Å²	149	66.1 Å²	66.1	70%	0.696	36%	0.359	S	S	*	.	S	Bend	trans	-128.4	137.6	178.2	-176.2	173.5	1.7	0	0	109.3	Y57 V256 D260	Y57-Q258 PolarHBondContact OH-O 3.45Å; V256-Q258 VanDerWaalsContact CG2-O 3.25Å; V256-Q258 WeakPolarHBondContact CG2-O 3.26Å; Q258-D260 PolarHBondContact O-N 2.98Å
259	S	91.1	Very high	93.1	Very high	47 Å²	47	62.4 Å²	62.4	33%	0.329	34%	0.343	S	S	.	.			trans	-74.6	112.3	177.4	-156.3	0	0	0	0	109.5	R240	R240-S259 WeakPolarHBondContact O-CB 3.4Å; R240-S259 PolarHBondContact O-OG 3.22Å; R240-S259 VanDerWaalsContact O-OG 3.08Å
260	D	93	Very high	93.2	Very high	66 Å²	66	57.1 Å²	57.1	35%	0.353	31%	0.306	S	S	.	.			trans	-139.3	162.2	179.1	-165.5	13.9	0	0	0	112	Y57 Q258 K262 Q275	Y57-D260 HydrophobicContact CE2-CB 3.94Å; Y57-D260 PolarHBondContact OH-N 2.83Å; Q258-D260 PolarHBondContact O-N 2.98Å; D260-K262 HydrophobicContact CB-CG 4.08Å; D260-K262 PolarHBondContact O-N 2.78Å; D260-K262 WeakPolarHBondContact OD2-CE 3.5Å; D260-K262 WeakPolarHBondContact OD2-CG 3.47Å; D260-Q275 PolarHBondContact O-N 2.87Å
261	A	93.7	Very high	93.2	Very high	34 Å²	34	57.7 Å²	57.7	28%	0.281	31%	0.31	S	S	.	.	S	Bend	trans	-73.5	44.6	179.5	0	0	0	0	0	113	Q275 W280	A261-Q275 HydrophobicContact CB-CB 4.47Å; A261-Q275 VanDerWaalsContact CB-OE1 3.3Å; A261-W280 VanDerWaalsContact O-CZ3 3.31Å; A261-W280 WeakPolarHBondContact O-CZ3 3.37Å
262	K	94.2	Very high	93.4	Very high	86 Å²	86	55.3 Å²	55.3	37%	0.374	29%	0.29	S	S	.	.			trans	-104.2	153.5	-174.7	-63.5	-68.1	-175.9	176.7	0	112.2	Y57 D260 F274	Y57-K262 HydrophobicContact CD1-CB 3.44Å; Y57-K262 VanDerWaalsContact CD1-CB 3.44Å; Y57-K262 HydrophobicContact CD1-CG 4.16Å; Y57-K262 HydrophobicContact CD2-CB 4.02Å; Y57-K262 HydrophobicContact CD2-CG 3.8Å; Y57-K262 HydrophobicContact CE1-CB 3.6Å; Y57-K262 HydrophobicContact CE1-CG 4.4Å; Y57-K262 HydrophobicContact CE2-CB 4.16Å; Y57-K262 HydrophobicContact CE2-CG 4.05Å; Y57-K262 HydrophobicContact CG-CB 3.64Å; Y57-K262 HydrophobicContact CG-CG 3.83Å; D260-K262 HydrophobicContact CB-CG 4.08Å; D260-K262 PolarHBondContact O-N 2.78Å; D260-K262 WeakPolarHBondContact OD2-CE 3.5Å; D260-K262 WeakPolarHBondContact OD2-CG 3.47Å; K262-F274 PolarHBondContact O-N 3.35Å
263	P	94.7	Very high	93.5	Very high	56 Å²	56	52.6 Å²	52.6	36%	0.364	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	134.2	176.6	28.1	-29.9	0	0	0	110.4	W280	P263-W280 HydrophobicContact CB-CD2 3.64Å; P263-W280 HydrophobicContact CB-CE3 3.75Å; P263-W280 HydrophobicContact CB-CG 4.03Å; P263-W280 HydrophobicContact CB-CH2 4.45Å; P263-W280 HydrophobicContact CB-CZ2 4.32Å; P263-W280 HydrophobicContact CB-CZ3 4.18Å; P263-W280 HydrophobicContact CG-CD2 4.28Å; P263-W280 HydrophobicContact CG-CE3 4.39Å; P263-W280 HydrophobicContact CG-CH2 4.22Å; P263-W280 HydrophobicContact CG-CZ2 4.04Å; P263-W280 HydrophobicContact CG-CZ3 4.38Å
264	V	95.6	Very high	93.5	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	142.3	169.7	-64.9	0	0	0	0	109.9	Y57 Y59 I254 S271 F272 F274	Y57-V264 HydrophobicContact CD1-CG1 4.23Å; Y57-V264 HydrophobicContact CE1-CG1 3.8Å; Y59-V264 HydrophobicContact CD1-CB 4.31Å; Y59-V264 HydrophobicContact CD1-CG1 3.76Å; Y59-V264 HydrophobicContact CD2-CB 4.27Å; Y59-V264 HydrophobicContact CD2-CG1 4.27Å; Y59-V264 HydrophobicContact CE1-CB 4.3Å; Y59-V264 HydrophobicContact CE1-CG1 4.17Å; Y59-V264 HydrophobicContact CE2-CB 4.27Å; Y59-V264 HydrophobicContact CG-CB 4.3Å; Y59-V264 HydrophobicContact CG-CG1 3.82Å; I254-V264 HydrophobicContact CG1-CG2 4.26Å; I254-V264 HydrophobicContact CG2-CB 4.11Å; I254-V264 HydrophobicContact CG2-CG1 4.1Å; I254-V264 HydrophobicContact CG2-CG2 4.21Å; V264-S271 VanDerWaalsContact O-CA 3.3Å; V264-S271 WeakPolarHBondContact O-CA 3.36Å; V264-F272 HydrophobicContact CG2-CD1 4.13Å; V264-F272 HydrophobicContact CG2-CD2 4.02Å; V264-F272 HydrophobicContact CG2-CE1 3.84Å; V264-F272 HydrophobicContact CG2-CE2 3.71Å; V264-F272 HydrophobicContact CG2-CG 4.23Å; V264-F272 HydrophobicContact CG2-CZ 3.63Å; V264-F272 PolarHBondContact N-O 3.36Å; V264-F272 PolarHBondContact O-N 3.46Å; V264-F274 HydrophobicContact CG1-CB 3.97Å; V264-F274 HydrophobicContact CG1-CD2 4.3Å; V264-F274 HydrophobicContact CG1-CG 4.49Å; V264-F274 HydrophobicContact CG2-CB 4.16Å; V264-F274 HydrophobicContact CG2-CD2 4.3Å
265	K	94.9	Very high	93.3	Very high	118 Å²	118	57.1 Å²	57.1	51%	0.513	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	120.1	178.6	-172.5	168.6	-174.4	171.8	0	111	Y59 S271	Y59-K265 WeakPolarHBondContact CE2-O 3.32Å; Y59-K265 WeakPolarHBondContact OH-CB 3.34Å; Y59-K265 PolarHBondContact OH-N 2.79Å; Y59-K265 PolarHBondContact OH-O 3.28Å; K265-S271 WeakPolarHBondContact CG-OG 3.44Å
266	C	95.6	Very high	93.3	Very high	5 Å²	5	56.6 Å²	56.6	3%	0.034	30%	0.3	C	S	.	.			trans	-78.3	157.9	175.4	-174.4	0	0	0	0	111.4	C245 I254 C268 G269 C270	C245-C266 HydrophobicContact CB-CB 4.31Å; C245-C266 VanDerWaalsContact SG-SG 3.63Å; I254-C266 HydrophobicContact CD1-CB 4.3Å; C266-C268 PolarHBondContact O-N 3.47Å; C266-C268 VanDerWaalsContact O-N 3.16Å; C266-G269 PolarHBondContact O-N 2.88Å; C266-C270 PolarHBondContact N-O 2.85Å
267	R	92.6	Very high	93.3	Very high	170 Å²	170	57.2 Å²	57.2	64%	0.642	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-23.2	173.7	-67.5	-179.6	-159.7	-166.1	7.1	113.2	V61 F252 G269	V61-R267 HydrophobicContact CB-CG 4.1Å; V61-R267 HydrophobicContact CG1-CB 4.44Å; V61-R267 HydrophobicContact CG1-CG 3.85Å; V61-R267 HydrophobicContact CG2-CG 4.45Å; V61-R267 PolarHBondContact O-NH2 2.86Å; F252-R267 HydrophobicContact CD2-CB 4.42Å; F252-R267 HydrophobicContact CE2-CB 4.17Å; F252-R267 HydrophobicContact CZ-CB 4.44Å; R267-G269 PolarHBondContact O-N 2.82Å
268	C	90.5	Very high	93.4	Very high	65 Å²	65	51.1 Å²	51.1	44%	0.439	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-3.2	174.3	75.4	0	0	0	0	113.6	C250 C266 C270	C250-C268 VanDerWaalsContact SG-SG 3.63Å; C266-C268 PolarHBondContact O-N 3.47Å; C266-C268 VanDerWaalsContact O-N 3.16Å; C268-C270 VanDerWaalsContact SG-CB 3.55Å
269	G	87.5	Confident	93.6	Very high	44 Å²	44	46.9 Å²	46.9	45%	0.454	27%	0.265	S	S	.	.	S	Bend	trans	92.2	-13.6	-178.7	0	0	0	0	0	114.7	C266 R267 S271	C266-G269 PolarHBondContact O-N 2.88Å; R267-G269 PolarHBondContact O-N 2.82Å; G269-S271 PolarHBondContact O-N 3.07Å
270	C	90.6	Very high	93.8	Very high	28 Å²	28	47.4 Å²	47.4	19%	0.189	26%	0.259	C	S	.	.			trans	-65.4	130.6	176.3	-176.7	0	0	0	0	110.8	A247 C266 C268	A247-C270 HydrophobicContact CB-CB 3.87Å; C266-C270 PolarHBondContact N-O 2.85Å; C268-C270 VanDerWaalsContact SG-CB 3.55Å
271	S	92.5	Very high	94	Very high	33 Å²	33	44.4 Å²	44.4	23%	0.231	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.4	176.5	-53.4	0	0	0	0	109.7	V264 K265 G269 R439	V264-S271 VanDerWaalsContact O-CA 3.3Å; V264-S271 WeakPolarHBondContact O-CA 3.36Å; K265-S271 WeakPolarHBondContact CG-OG 3.44Å; G269-S271 PolarHBondContact O-N 3.07Å; S271-R439 PolarHBondContact O-NH1 2.97Å
272	F	95.8	Very high	94	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	164.1	-170.9	65.2	-84.2	0	0	0	111.3	R243 P246 I254 V264 S278	R243-F272 HydrophobicContact CG-CE2 4.24Å; P246-F272 VanDerWaalsContact CD-CE1 3.43Å; P246-F272 HydrophobicContact CG-CB 3.88Å; P246-F272 HydrophobicContact CG-CD1 3.86Å; P246-F272 HydrophobicContact CG-CD2 4.18Å; P246-F272 HydrophobicContact CG-CE1 4.4Å; P246-F272 HydrophobicContact CG-CG 3.72Å; I254-F272 HydrophobicContact CG1-CE1 4.08Å; I254-F272 HydrophobicContact CG1-CZ 3.6Å; V264-F272 HydrophobicContact CG2-CD1 4.13Å; V264-F272 HydrophobicContact CG2-CD2 4.02Å; V264-F272 HydrophobicContact CG2-CE1 3.84Å; V264-F272 HydrophobicContact CG2-CE2 3.71Å; V264-F272 HydrophobicContact CG2-CG 4.23Å; V264-F272 HydrophobicContact CG2-CZ 3.63Å; V264-F272 PolarHBondContact N-O 3.36Å; V264-F272 PolarHBondContact O-N 3.46Å; F272-S278 WeakPolarHBondContact CA-O 3.46Å; F272-S278 WeakPolarHBondContact CB-O 3.31Å
273	C	96.7	Very high	94.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	125.3	173.7	174.2	0	0	0	0	110	Q275 G277 S278 W280 H281	C273-Q275 VanDerWaalsContact C-N 3.3Å; C273-Q275 PolarHBondContact O-N 3.23Å; C273-Q275 PolarHBondContact SG-N 3.16Å; C273-G277 VanDerWaalsContact O-CA 3.28Å; C273-G277 WeakPolarHBondContact O-CA 3.31Å; C273-G277 PolarHBondContact O-N 3.25Å; C273-S278 PolarHBondContact N-O 2.7Å; C273-W280 HydrophobicContact CB-CE3 4.22Å; C273-H281 WeakPolarHBondContact CB-NE2 3.4Å
274	F	96.3	Very high	94.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-32.6	179.7	-174.2	-92.9	0	0	0	113.1	R243 I254 V256 K262 V264	R243-F274 HydrophobicContact CB-CD2 4.1Å; R243-F274 HydrophobicContact CB-CE2 3.57Å; R243-F274 HydrophobicContact CB-CZ 4Å; R243-F274 WeakPolarHBondContact CD-O 3.44Å; R243-F274 PolarHBondContact NE-O 3.28Å; I254-F274 HydrophobicContact CB-CD2 4.24Å; I254-F274 HydrophobicContact CB-CE2 4.07Å; I254-F274 HydrophobicContact CG2-CD2 3.95Å; I254-F274 HydrophobicContact CG2-CE2 4Å; V256-F274 HydrophobicContact CB-CE1 4.3Å; V256-F274 HydrophobicContact CB-CE2 4.49Å; V256-F274 HydrophobicContact CB-CZ 4.25Å; V256-F274 HydrophobicContact CG1-CD1 4.05Å; V256-F274 HydrophobicContact CG1-CD2 3.64Å; V256-F274 HydrophobicContact CG1-CE1 4.04Å; V256-F274 HydrophobicContact CG1-CE2 3.62Å; V256-F274 HydrophobicContact CG1-CG 3.86Å; V256-F274 HydrophobicContact CG1-CZ 3.84Å; V256-F274 HydrophobicContact CG2-CD1 3.86Å; V256-F274 HydrophobicContact CG2-CE1 3.26Å; V256-F274 HydrophobicContact CG2-CE2 4.11Å; V256-F274 HydrophobicContact CG2-CZ 3.42Å; V256-F274 VanDerWaalsContact CG2-CZ 3.42Å; K262-F274 PolarHBondContact O-N 3.35Å; V264-F274 HydrophobicContact CG1-CB 3.97Å; V264-F274 HydrophobicContact CG1-CD2 4.3Å; V264-F274 HydrophobicContact CG1-CG 4.49Å; V264-F274 HydrophobicContact CG2-CB 4.16Å; V264-F274 HydrophobicContact CG2-CD2 4.3Å
275	Q	94.2	Very high	94.2	Very high	95 Å²	95	41.7 Å²	41.7	44%	0.444	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-48.4	-177.8	-168.5	179.3	15.4	0	0	113.1	R243 D260 A261 C273	R243-Q275 PolarHBondContact NH2-O 2.86Å; D260-Q275 PolarHBondContact O-N 2.87Å; A261-Q275 HydrophobicContact CB-CB 4.47Å; A261-Q275 VanDerWaalsContact CB-OE1 3.3Å; C273-Q275 VanDerWaalsContact C-N 3.3Å; C273-Q275 PolarHBondContact O-N 3.23Å; C273-Q275 PolarHBondContact SG-N 3.16Å
276	C	94.6	Very high	94.3	Very high	29 Å²	29	36.9 Å²	36.9	20%	0.196	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-13.7	-174.7	79.8	0	0	0	0	114.2	S278 H281 C286	C276-S278 PolarHBondContact O-N 2.9Å; C276-S278 VanDerWaalsContact SG-CB 3.55Å; C276-S278 PolarHBondContact SG-N 2.99Å; C276-S278 VanDerWaalsContact SG-N 3.37Å; C276-H281 PolarHBondContact SG-NE2 3.01Å; C276-C286 HydrophobicContact CB-CB 3.96Å
277	G	94.2	Very high	94.3	Very high	18 Å²	18	41.5 Å²	41.5	19%	0.186	24%	0.236	C	C	.	.			trans	73.8	-4.9	-178.4	0	0	0	0	0	115.5	C273	C273-G277 VanDerWaalsContact O-CA 3.28Å; C273-G277 WeakPolarHBondContact O-CA 3.31Å; C273-G277 PolarHBondContact O-N 3.25Å
278	S	94.5	Very high	94.5	Very high	29 Å²	29	33.6 Å²	33.6	20%	0.203	21%	0.206	C	C	.	.	S	Bend	trans	-76	162.5	175	-57.5	0	0	0	0	111	F272 C273 C276 W280	F272-S278 WeakPolarHBondContact CA-O 3.46Å; F272-S278 WeakPolarHBondContact CB-O 3.31Å; C273-S278 PolarHBondContact N-O 2.7Å; C276-S278 PolarHBondContact O-N 2.9Å; C276-S278 VanDerWaalsContact SG-CB 3.55Å; C276-S278 PolarHBondContact SG-N 2.99Å; C276-S278 VanDerWaalsContact SG-N 3.37Å; S278-W280 PolarHBondContact O-N 3.37Å
279	D	93.4	Very high	94.8	Very high	59 Å²	59	30.6 Å²	30.6	32%	0.316	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-45.2	142.5	169.7	-81.2	-28.5	0	0	0	111.2	H281 R439 Y443	D279-H281 WeakPolarHBondContact O-CB 3.45Å; D279-H281 PolarHBondContact O-CD2 3.09Å; D279-H281 PolarHBondContact O-N 3.44Å; D279-H281 VanDerWaalsContact O-N 3.13Å; D279-R439 IonicContact OD1-NH1 3.39Å; D279-Y443 HydrophobicContact CB-CE2 4.44Å; D279-Y443 WeakPolarHBondContact CB-OH 3.29Å
280	W	95.3	Very high	95.2	Very high	58 Å²	58	32.2 Å²	32.2	22%	0.22	18%	0.182	C	C	.	.			trans	-52.5	124.2	178.9	177	-120.5	0	0	0	111.1	A261 P263 C273 S278 A282 R439 Y443	A261-W280 VanDerWaalsContact O-CZ3 3.31Å; A261-W280 WeakPolarHBondContact O-CZ3 3.37Å; P263-W280 HydrophobicContact CB-CD2 3.64Å; P263-W280 HydrophobicContact CB-CE3 3.75Å; P263-W280 HydrophobicContact CB-CG 4.03Å; P263-W280 HydrophobicContact CB-CH2 4.45Å; P263-W280 HydrophobicContact CB-CZ2 4.32Å; P263-W280 HydrophobicContact CB-CZ3 4.18Å; P263-W280 HydrophobicContact CG-CD2 4.28Å; P263-W280 HydrophobicContact CG-CE3 4.39Å; P263-W280 HydrophobicContact CG-CH2 4.22Å; P263-W280 HydrophobicContact CG-CZ2 4.04Å; P263-W280 HydrophobicContact CG-CZ3 4.38Å; C273-W280 HydrophobicContact CB-CE3 4.22Å; S278-W280 PolarHBondContact O-N 3.37Å; W280-A282 HydrophobicContact CH2-CB 4.47Å; W280-A282 HydrophobicContact CZ2-CB 3.58Å; W280-R439 WeakPolarHBondContact O-CD 3.27Å; W280-Y443 WeakPolarHBondContact O-CE2 3.49Å
281	H	96.1	Very high	95.5	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.019	19%	0.187	C	C	.	.			trans	-126.4	26.4	-160.4	58.1	65.3	0	0	0	114.7	C273 C276 D279 V284 C286 L289 Y443	C273-H281 WeakPolarHBondContact CB-NE2 3.4Å; C276-H281 PolarHBondContact SG-NE2 3.01Å; D279-H281 WeakPolarHBondContact O-CB 3.45Å; D279-H281 PolarHBondContact O-CD2 3.09Å; D279-H281 PolarHBondContact O-N 3.44Å; D279-H281 VanDerWaalsContact O-N 3.13Å; H281-V284 HydrophobicContact CB-CG1 3.99Å; H281-V284 PolarHBondContact CE1-O 2.98Å; H281-V284 PolarHBondContact ND1-O 3.21Å; H281-V284 WeakPolarHBondContact O-CG1 3.32Å; H281-V284 PolarHBondContact O-N 3.4Å; H281-C286 PolarHBondContact CE1-SG 3.22Å; H281-C286 PolarHBondContact NE2-SG 2.83Å; H281-L289 HydrophobicContact CB-CD2 3.73Å; H281-L289 VanDerWaalsContact CD2-CD2 3.41Å; H281-L289 WeakPolarHBondContact CD2-CD2 3.28Å; H281-Y443 HydrophobicContact CB-CD1 3.81Å; H281-Y443 HydrophobicContact CB-CD2 3.71Å; H281-Y443 HydrophobicContact CB-CE1 3.79Å; H281-Y443 HydrophobicContact CB-CE2 3.63Å; H281-Y443 HydrophobicContact CB-CG 3.77Å
282	A	95	Very high	95.6	Very high	17 Å²	17	33 Å²	33	14%	0.14	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	136.8	168.4	0	0	0	0	0	110.8	W280 L509	W280-A282 HydrophobicContact CH2-CB 4.47Å; W280-A282 HydrophobicContact CZ2-CB 3.58Å; A282-L509 HydrophobicContact CB-CD2 3.77Å
283	P	96	Very high	95.5	Very high	13 Å²	13	36.3 Å²	36.3	8%	0.084	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.7	2.9	9.6	36.7	-36.3	0	0	0	115.6	T444 F447 F460 L508 L509 C512	P283-T444 HydrophobicContact CG-CG2 4.15Å; P283-F447 HydrophobicContact CG-CB 4.03Å; P283-F447 HydrophobicContact CG-CD1 4.45Å; P283-F447 HydrophobicContact CG-CD2 4.45Å; P283-F447 HydrophobicContact CG-CG 4.08Å; P283-F460 HydrophobicContact CG-CE2 4.44Å; P283-L508 HydrophobicContact CG-CD2 4.42Å; P283-L509 HydrophobicContact CB-CD2 4.15Å; P283-C512 HydrophobicContact CB-CB 3.7Å; P283-C512 VanDerWaalsContact CB-SG 3.59Å
284	V	96.3	Very high	95.3	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.03	23%	0.226	C	C	.	.	S	Bend	trans	-78.4	141.2	-174.8	71.6	0	0	0	0	112.1	H281 M288 L289 Y443 V446 F447	H281-V284 HydrophobicContact CB-CG1 3.99Å; H281-V284 PolarHBondContact CE1-O 2.98Å; H281-V284 PolarHBondContact ND1-O 3.21Å; H281-V284 WeakPolarHBondContact O-CG1 3.32Å; H281-V284 PolarHBondContact O-N 3.4Å; V284-M288 HydrophobicContact CG2-CB 3.53Å; V284-M288 HydrophobicContact CG2-CE 4.36Å; V284-M288 HydrophobicContact CG2-SD 4.24Å; V284-L289 HydrophobicContact CG1-CB 4.07Å; V284-Y443 HydrophobicContact CG1-CD1 3.98Å; V284-Y443 HydrophobicContact CG1-CG 4.28Å; V284-V446 HydrophobicContact CG1-CB 4.48Å; V284-V446 HydrophobicContact CG2-CB 4.37Å; V284-V446 HydrophobicContact CG2-CG1 3.95Å; V284-F447 HydrophobicContact CB-CB 4.28Å
285	M	95.8	Very high	95	Very high	85 Å²	85	48.3 Å²	48.3	42%	0.419	24%	0.24	S	C	.	.			trans	-70.8	153.7	172.5	-63.8	-172.1	-73.8	0	0	112.4	T287 M288 L289 F523	M285-T287 VanDerWaalsContact C-N 3.31Å; M285-T287 PolarHBondContact O-N 3.43Å; M285-M288 HydrophobicContact CB-CG 4.39Å; M285-M288 HydrophobicContact CB-SD 4.17Å; M285-M288 HydrophobicContact CE-CG 4.15Å; M285-M288 HydrophobicContact CE-SD 3.43Å; M285-M288 WeakPolarHBondContact CE-SD 3.48Å; M285-M288 HydrophobicContact CG-SD 4.4Å; M285-M288 PolarHBondContact O-N 3.33Å; M285-L289 PolarHBondContact O-N 3.43Å; M285-F523 HydrophobicContact CE-CD2 4.33Å; M285-F523 HydrophobicContact CE-CE2 3.92Å; M285-F523 HydrophobicContact CE-CZ 4.44Å
286	C	97	Very high	94.8	Very high	17 Å²	17	44.9 Å²	44.9	12%	0.115	23%	0.226	C	C	.	.	H	α-helix	trans	-55.3	-43.7	-179.8	-64.1	0	0	0	0	112.7	C276 H281 L289 Q290	C276-C286 HydrophobicContact CB-CB 3.96Å; H281-C286 PolarHBondContact CE1-SG 3.22Å; H281-C286 PolarHBondContact NE2-SG 2.83Å; C286-L289 PolarHBondContact O-N 3.06Å; C286-Q290 WeakPolarHBondContact O-CG 3.18Å; C286-Q290 PolarHBondContact O-N 2.68Å
287	T	95.8	Very high	94.4	Very high	103 Å²	103	47.3 Å²	47.3	63%	0.632	24%	0.243	S	C	*	.	H	α-helix	trans	-61.5	-46.5	-178.8	51.1	0	0	0	0	111.9	M285 Q290 R291	M285-T287 VanDerWaalsContact C-N 3.31Å; M285-T287 PolarHBondContact O-N 3.43Å; T287-Q290 PolarHBondContact O-N 3.04Å; T287-R291 PolarHBondContact O-N 2.92Å
288	M	96.2	Very high	93.9	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.02	27%	0.265	C	S	.	.	H	α-helix	trans	-65	-40	177.3	-64.3	170.8	74.2	0	0	111.8	V284 M285 R291 W292 Y450 F523	V284-M288 HydrophobicContact CG2-CB 3.53Å; V284-M288 HydrophobicContact CG2-CE 4.36Å; V284-M288 HydrophobicContact CG2-SD 4.24Å; M285-M288 HydrophobicContact CB-CG 4.39Å; M285-M288 HydrophobicContact CB-SD 4.17Å; M285-M288 HydrophobicContact CE-CG 4.15Å; M285-M288 HydrophobicContact CE-SD 3.43Å; M285-M288 WeakPolarHBondContact CE-SD 3.48Å; M285-M288 HydrophobicContact CG-SD 4.4Å; M285-M288 PolarHBondContact O-N 3.33Å; M288-R291 PolarHBondContact O-N 3.13Å; M288-W292 WeakPolarHBondContact O-CB 3.41Å; M288-W292 PolarHBondContact O-N 3.45Å; M288-Y450 HydrophobicContact CB-CD2 4.09Å; M288-Y450 HydrophobicContact CB-CE2 4.2Å; M288-Y450 HydrophobicContact CE-CD2 3.59Å; M288-Y450 HydrophobicContact CE-CG 3.74Å; M288-Y450 HydrophobicContact CG-CD2 4.49Å; M288-Y450 WeakPolarHBondContact O-CE2 3.37Å; M288-F523 HydrophobicContact CE-CD1 3.39Å; M288-F523 HydrophobicContact CE-CE1 3.56Å; M288-F523 HydrophobicContact CE-CG 4.04Å; M288-F523 HydrophobicContact CE-CZ 4.31Å; M288-F523 HydrophobicContact SD-CD1 4.15Å; M288-F523 HydrophobicContact SD-CE1 4.07Å; M288-F523 HydrophobicContact SD-CG 4.4Å; M288-F523 HydrophobicContact SD-CZ 4.25Å
289	L	97.3	Very high	93.2	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-62.8	-44.6	175.2	177.9	60.1	0	0	0	111.3	H281 V284 M285 C286 R291 W292 I293 Y443	H281-L289 HydrophobicContact CB-CD2 3.73Å; H281-L289 VanDerWaalsContact CD2-CD2 3.41Å; H281-L289 WeakPolarHBondContact CD2-CD2 3.28Å; V284-L289 HydrophobicContact CG1-CB 4.07Å; M285-L289 PolarHBondContact O-N 3.43Å; C286-L289 PolarHBondContact O-N 3.06Å; L289-R291 PolarHBondContact O-N 3.41Å; L289-W292 WeakPolarHBondContact O-CB 3.44Å; L289-W292 PolarHBondContact O-N 3.45Å; L289-I293 HydrophobicContact CD1-CD1 3.96Å; L289-I293 HydrophobicContact CD1-CG1 4.1Å; L289-I293 HydrophobicContact CD2-CD1 4.45Å; L289-I293 HydrophobicContact CG-CD1 3.82Å; L289-I293 HydrophobicContact CG-CG1 4.39Å; L289-I293 WeakPolarHBondContact O-CG1 3.39Å; L289-I293 PolarHBondContact O-N 3.48Å; L289-Y443 HydrophobicContact CD1-CD1 4.07Å; L289-Y443 HydrophobicContact CD1-CE1 3.67Å; L289-Y443 HydrophobicContact CD2-CE1 4.11Å
290	Q	96.3	Very high	92	Very high	79 Å²	79	50.7 Å²	50.7	37%	0.369	27%	0.27	S	S	.	.	H	α-helix	trans	-62.1	-42.5	177.5	-69.7	-56.8	-36.8	0	0	112	C286 T287 W292 I293 R294	C286-Q290 WeakPolarHBondContact O-CG 3.18Å; C286-Q290 PolarHBondContact O-N 2.68Å; T287-Q290 PolarHBondContact O-N 3.04Å; Q290-W292 VanDerWaalsContact C-N 3.32Å; Q290-W292 PolarHBondContact O-N 3.19Å; Q290-I293 PolarHBondContact O-N 3.46Å; Q290-R294 WeakPolarHBondContact O-CB 3.48Å; Q290-R294 PolarHBondContact O-N 3.13Å
291	R	95.5	Very high	90.5	Very high	78 Å²	78	56 Å²	56	29%	0.294	30%	0.297	S	S	.	.	H	α-helix	trans	-60.7	-41.8	173.9	-172	176.9	47.5	174.2	-5.9	111.6	T287 M288 L289 R294 K295 Y450 R524 K525	T287-R291 PolarHBondContact O-N 2.92Å; M288-R291 PolarHBondContact O-N 3.13Å; L289-R291 PolarHBondContact O-N 3.41Å; R291-R294 PolarHBondContact O-N 3.34Å; R291-K295 WeakPolarHBondContact O-CB 3.49Å; R291-K295 PolarHBondContact O-N 2.86Å; R291-Y450 HydrophobicContact CG-CE1 4.44Å; R291-Y450 WeakPolarHBondContact CG-OH 3.46Å; R291-Y450 VanDerWaalsContact NE-CZ 3.28Å; R291-Y450 PolarHBondContact NE-OH 2.87Å; R291-Y450 VanDerWaalsContact NH2-CG 3.28Å; R291-R524 PolarHBondContact NH1-O 3.05Å; R291-R524 VanDerWaalsContact NH1-O 3.09Å; R291-K525 VanDerWaalsContact NH1-C 3.3Å; R291-K525 PolarHBondContact NH1-OXT 3.21Å
292	W	95	Very high	88.8	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-62.9	-46.9	175.7	-179.5	-101.4	0	0	0	112.6	M288 L289 Q290 R294 K295 C296 Y383 Y387 Y390 V446 Y449 Y450	M288-W292 WeakPolarHBondContact O-CB 3.41Å; M288-W292 PolarHBondContact O-N 3.45Å; L289-W292 WeakPolarHBondContact O-CB 3.44Å; L289-W292 PolarHBondContact O-N 3.45Å; Q290-W292 VanDerWaalsContact C-N 3.32Å; Q290-W292 PolarHBondContact O-N 3.19Å; W292-R294 VanDerWaalsContact C-N 3.34Å; W292-R294 PolarHBondContact O-N 3.03Å; W292-K295 PolarHBondContact O-N 3.37Å; W292-C296 PolarHBondContact NE1-SG 3.35Å; W292-C296 VanDerWaalsContact NE1-SG 3.44Å; W292-C296 PolarHBondContact O-N 2.95Å; W292-C296 PolarHBondContact O-SG 2.92Å; W292-Y383 AromaticContact CH2-CD2 3.98Å; W292-Y383 HydrophobicContact CH2-CD2 3.98Å; W292-Y383 AromaticContact CH2-CE2 3.81Å; W292-Y383 HydrophobicContact CH2-CE2 3.81Å; W292-Y383 HydrophobicContact CZ2-CE2 4.45Å; W292-Y383 AromaticContact CZ3-CD2 3.86Å; W292-Y383 HydrophobicContact CZ3-CD2 3.86Å; W292-Y383 AromaticContact CZ3-CE2 3.86Å; W292-Y383 HydrophobicContact CZ3-CE2 3.86Å; W292-Y387 HydrophobicContact CZ2-CD2 4.09Å; W292-Y390 HydrophobicContact CZ2-CD1 4.34Å; W292-Y390 HydrophobicContact CZ2-CG 4.11Å; W292-Y390 AromaticContact NE1-CD1 3.63Å; W292-Y390 AromaticContact NE1-CD2 3.69Å; W292-Y390 AromaticContact NE1-CE1 3.74Å; W292-Y390 AromaticContact NE1-CE2 3.78Å; W292-Y390 AromaticContact NE1-CG 3.64Å; W292-Y390 AromaticContact NE1-CZ 3.84Å; W292-V446 HydrophobicContact CB-CG1 3.53Å; W292-V446 HydrophobicContact CD2-CG1 3.9Å; W292-V446 HydrophobicContact CD2-CG2 4.17Å; W292-V446 HydrophobicContact CE3-CG1 4.38Å; W292-V446 HydrophobicContact CG-CB 4.37Å; W292-V446 HydrophobicContact CG-CG1 3.51Å; W292-V446 HydrophobicContact CG-CG2 4Å; W292-Y449 AromaticContact CE3-CD1 3.67Å; W292-Y449 HydrophobicContact CE3-CD1 3.67Å; W292-Y449 HydrophobicContact CE3-CE1 4.13Å; W292-Y449 HydrophobicContact CE3-CG 4.1Å; W292-Y449 HydrophobicContact CH2-CG 4.36Å; W292-Y449 AromaticContact CZ3-CD1 3.45Å; W292-Y449 HydrophobicContact CZ3-CD1 3.45Å; W292-Y449 VanDerWaalsContact CZ3-CD1 3.45Å; W292-Y449 AromaticContact CZ3-CD2 3.95Å; W292-Y449 HydrophobicContact CZ3-CD2 3.95Å; W292-Y449 AromaticContact CZ3-CE1 3.9Å; W292-Y449 HydrophobicContact CZ3-CE1 3.9Å; W292-Y449 HydrophobicContact CZ3-CE2 4.38Å; W292-Y449 AromaticContact CZ3-CG 3.46Å; W292-Y449 HydrophobicContact CZ3-CG 3.46Å; W292-Y449 VanDerWaalsContact CZ3-CG 3.46Å; W292-Y450 WeakPolarHBondContact CA-OH 3.07Å; W292-Y450 HydrophobicContact CB-CE2 4.19Å; W292-Y450 HydrophobicContact CE3-CE2 4.42Å; W292-Y450 PolarHBondContact N-OH 2.65Å; W292-Y450 VanDerWaalsContact N-OH 3.13Å
293	I	93.4	Very high	87.3	Confident	69 Å²	69	57.6 Å²	57.6	35%	0.354	31%	0.305	S	S	.	.	H	α-helix	trans	-60.3	-46	178.6	-69.1	167.3	0	0	0	110.2	L289 Q290 K295 C296 S297	L289-I293 HydrophobicContact CD1-CD1 3.96Å; L289-I293 HydrophobicContact CD1-CG1 4.1Å; L289-I293 HydrophobicContact CD2-CD1 4.45Å; L289-I293 HydrophobicContact CG-CD1 3.82Å; L289-I293 HydrophobicContact CG-CG1 4.39Å; L289-I293 WeakPolarHBondContact O-CG1 3.39Å; L289-I293 PolarHBondContact O-N 3.48Å; Q290-I293 PolarHBondContact O-N 3.46Å; I293-K295 VanDerWaalsContact C-N 3.33Å; I293-K295 PolarHBondContact O-N 3.3Å; I293-C296 PolarHBondContact O-N 3.01Å; I293-S297 PolarHBondContact O-N 2.73Å
294	R	93.2	Very high	85.7	Confident	188 Å²	188	62.8 Å²	62.8	71%	0.709	33%	0.333	S	S	*	.	H	α-helix	trans	-58.6	-45.1	176.1	-169	-178	-62.3	166.8	0.3	111.4	Q290 R291 W292 S297 A298	Q290-R294 WeakPolarHBondContact O-CB 3.48Å; Q290-R294 PolarHBondContact O-N 3.13Å; R291-R294 PolarHBondContact O-N 3.34Å; W292-R294 VanDerWaalsContact C-N 3.34Å; W292-R294 PolarHBondContact O-N 3.03Å; R294-S297 PolarHBondContact O-N 2.96Å; R294-S297 PolarHBondContact O-OG 3.46Å; R294-A298 PolarHBondContact O-N 3.43Å
295	K	90.6	Very high	84	Confident	64 Å²	64	73.1 Å²	73.1	28%	0.278	37%	0.371	S	S	.	.	H	α-helix	trans	-60.7	-45.9	176.2	-174.3	165	179.7	50.9	0	112.4	R291 W292 I293 S297 A298 D299 Y383 Y449	R291-K295 WeakPolarHBondContact O-CB 3.49Å; R291-K295 PolarHBondContact O-N 2.86Å; W292-K295 PolarHBondContact O-N 3.37Å; I293-K295 VanDerWaalsContact C-N 3.33Å; I293-K295 PolarHBondContact O-N 3.3Å; K295-S297 VanDerWaalsContact C-N 3.27Å; K295-S297 PolarHBondContact O-N 2.8Å; K295-A298 PolarHBondContact O-N 2.9Å; K295-D299 IonicContact NZ-OD2 3.87Å; K295-D299 PolarHBondContact NZ-OD2 3.32Å; K295-D299 PolarHBondContact O-N 3.21Å; K295-Y383 HydrophobicContact CD-CD2 3.97Å; K295-Y383 HydrophobicContact CD-CE2 3.95Å; K295-Y383 VanDerWaalsContact CE-CD2 3.42Å; K295-Y383 HydrophobicContact CG-CD2 4.44Å; K295-Y383 HydrophobicContact CG-CE2 3.94Å; K295-Y449 WeakPolarHBondContact CE-OH 3.24Å
296	C	88.9	Confident	82.2	Confident	23 Å²	23	70 Å²	70	16%	0.155	36%	0.356	C	S	.	.	H	α-helix	trans	-60.3	-36.3	176.3	-62.8	0	0	0	0	112.6	W292 I293 Y387	W292-C296 PolarHBondContact NE1-SG 3.35Å; W292-C296 VanDerWaalsContact NE1-SG 3.44Å; W292-C296 PolarHBondContact O-N 2.95Å; W292-C296 PolarHBondContact O-SG 2.92Å; I293-C296 PolarHBondContact O-N 3.01Å; C296-Y387 HydrophobicContact CB-CE2 4.22Å
297	S	85.9	Confident	80.5	Confident	79 Å²	79	71.2 Å²	71.2	55%	0.552	37%	0.367	S	S	*	.	H	α-helix	trans	-70.9	-35.1	177.3	65.6	0	0	0	0	113.3	I293 R294 K295	I293-S297 PolarHBondContact O-N 2.73Å; R294-S297 PolarHBondContact O-N 2.96Å; R294-S297 PolarHBondContact O-OG 3.46Å; K295-S297 VanDerWaalsContact C-N 3.27Å; K295-S297 PolarHBondContact O-N 2.8Å
298	A	84.1	Confident	79	Confident	78 Å²	78	68.9 Å²	68.9	65%	0.645	36%	0.358	S	S	*	.	H	α-helix	trans	-73.5	-42.9	177.8	0	0	0	0	0	111.7	R294 K295 S300	R294-A298 PolarHBondContact O-N 3.43Å; K295-A298 PolarHBondContact O-N 2.9Å; A298-S300 PolarHBondContact O-N 2.87Å; A298-S300 VanDerWaalsContact O-N 3.11Å
299	D	79.2	Confident	77.8	Confident	44 Å²	44	72.2 Å²	72.2	24%	0.235	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	33.5	-178.8	-70.7	-38	0	0	0	112.5	K295 E301 T302 S303 Y383	K295-D299 IonicContact NZ-OD2 3.87Å; K295-D299 PolarHBondContact NZ-OD2 3.32Å; K295-D299 PolarHBondContact O-N 3.21Å; D299-E301 VanDerWaalsContact C-N 3.34Å; D299-E301 PolarHBondContact O-N 3.36Å; D299-T302 PolarHBondContact O-N 3.42Å; D299-S303 VanDerWaalsContact O-CB 3.27Å; D299-S303 WeakPolarHBondContact O-CB 3.33Å; D299-S303 PolarHBondContact O-N 3.37Å; D299-S303 PolarHBondContact O-OG 3.18Å; D299-Y383 HydrophobicContact CB-CE1 3.94Å
300	S	69.4	Low	77.1	Confident	55 Å²	55	75.2 Å²	75.2	39%	0.385	40%	0.395	S	S	.	.	H	α-helix	trans	-62.5	-32.5	-168.9	67.8	0	0	0	0	114.4	A298 S303 N304	A298-S300 PolarHBondContact O-N 2.87Å; A298-S300 VanDerWaalsContact O-N 3.11Å; S300-S303 WeakPolarHBondContact O-CB 3.43Å; S300-S303 PolarHBondContact O-N 2.89Å; S300-N304 WeakPolarHBondContact O-CB 3.39Å; S300-N304 VanDerWaalsContact O-CG 3.31Å; S300-N304 PolarHBondContact O-N 3.22Å; S300-N304 PolarHBondContact O-ND2 2.93Å
301	E	62.9	Low	76.8	Confident	170 Å²	170	73.4 Å²	73.4	79%	0.794	39%	0.386	S	S	*	.	H	α-helix	trans	-68.3	-48.7	177.4	-66.9	-164	159.3	0	0	112	D299 S303 N304 W305	D299-E301 VanDerWaalsContact C-N 3.34Å; D299-E301 PolarHBondContact O-N 3.36Å; E301-S303 PolarHBondContact O-N 3.17Å; E301-N304 PolarHBondContact O-N 3.09Å; E301-W305 PolarHBondContact O-N 3.09Å; E301-W305 VanDerWaalsContact O-N 3.13Å
302	T	61.2	Low	76.6	Confident	50 Å²	50	74.7 Å²	74.7	31%	0.307	40%	0.395	S	S	.	.	H	α-helix	trans	-59.2	-41.9	173.3	-56.4	0	0	0	0	110.2	D299 I306 V384	D299-T302 PolarHBondContact O-N 3.42Å; T302-I306 HydrophobicContact CG2-CD1 3.66Å; T302-I306 WeakPolarHBondContact O-CD1 3.41Å; T302-I306 WeakPolarHBondContact O-CG1 3.49Å; T302-I306 PolarHBondContact O-N 3.21Å; T302-V384 HydrophobicContact CG2-CG2 4.06Å
303	S	63.4	Low	76.7	Confident	4 Å²	4	74.7 Å²	74.7	3%	0.028	40%	0.395	C	S	.	.	H	α-helix	trans	-63	-43.5	-179.7	-66.9	0	0	0	0	113.4	D299 S300 E301 A307 Y387	D299-S303 VanDerWaalsContact O-CB 3.27Å; D299-S303 WeakPolarHBondContact O-CB 3.33Å; D299-S303 PolarHBondContact O-N 3.37Å; D299-S303 PolarHBondContact O-OG 3.18Å; S300-S303 WeakPolarHBondContact O-CB 3.43Å; S300-S303 PolarHBondContact O-N 2.89Å; E301-S303 PolarHBondContact O-N 3.17Å; S303-A307 WeakPolarHBondContact O-CB 3.34Å; S303-A307 PolarHBondContact O-N 3.39Å; S303-Y387 VanDerWaalsContact CB-CZ 3.46Å; S303-Y387 WeakPolarHBondContact CB-OH 3.43Å
304	N	63	Low	76.8	Confident	123 Å²	123	74 Å²	74	66%	0.658	40%	0.395	S	S	*	.	H	α-helix	trans	-72.4	-38.9	-179.7	-77.9	-20.2	0	0	0	112.3	S300 E301 I306 A307	S300-N304 WeakPolarHBondContact O-CB 3.39Å; S300-N304 VanDerWaalsContact O-CG 3.31Å; S300-N304 PolarHBondContact O-N 3.22Å; S300-N304 PolarHBondContact O-ND2 2.93Å; E301-N304 PolarHBondContact O-N 3.09Å; N304-I306 VanDerWaalsContact C-N 3.31Å; N304-I306 PolarHBondContact O-N 3.46Å; N304-A307 PolarHBondContact O-N 2.85Å
305	W	59.2	Low	76.9	Confident	221 Å²	221	68.8 Å²	68.8	84%	0.837	39%	0.387	S	S	*	.	H	α-helix	trans	-64.3	-36.8	177.7	-177.5	80	0	0	0	112.2	E301	E301-W305 PolarHBondContact O-N 3.09Å; E301-W305 VanDerWaalsContact O-N 3.13Å
306	I	58.7	Low	77.2	Confident	21 Å²	21	67.6 Å²	67.6	11%	0.108	39%	0.386	C	S	.	.	H	α-helix	trans	-75	-32.7	-179.8	-66.2	163.6	0	0	0	112.4	T302 N304 A308 V384 Y387 N388	T302-I306 HydrophobicContact CG2-CD1 3.66Å; T302-I306 WeakPolarHBondContact O-CD1 3.41Å; T302-I306 WeakPolarHBondContact O-CG1 3.49Å; T302-I306 PolarHBondContact O-N 3.21Å; N304-I306 VanDerWaalsContact C-N 3.31Å; N304-I306 PolarHBondContact O-N 3.46Å; I306-A308 PolarHBondContact O-N 2.94Å; I306-A308 VanDerWaalsContact O-N 3.17Å; I306-V384 HydrophobicContact CD1-CB 4.17Å; I306-V384 HydrophobicContact CD1-CG1 3.72Å; I306-V384 HydrophobicContact CD1-CG2 3.68Å; I306-Y387 HydrophobicContact CD1-CD1 4.5Å; I306-N388 HydrophobicContact CG2-CB 3.97Å; I306-N388 WeakPolarHBondContact CG2-ND2 3.3Å
307	A	60.8	Low	77.4	Confident	42 Å²	42	72.2 Å²	72.2	35%	0.347	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	17.4	-173.7	0	0	0	0	0	114.1	S303 N304 N309	S303-A307 WeakPolarHBondContact O-CB 3.34Å; S303-A307 PolarHBondContact O-N 3.39Å; N304-A307 PolarHBondContact O-N 2.85Å; A307-N309 PolarHBondContact O-N 3.49Å; A307-N309 VanDerWaalsContact O-N 3.1Å
308	A	64.3	Low	77.8	Confident	54 Å²	54	71.6 Å²	71.6	45%	0.446	40%	0.399	S	S	.	.			trans	-54.5	120.6	177.4	0	0	0	0	0	110.6	I306 T310	I306-A308 PolarHBondContact O-N 2.94Å; I306-A308 VanDerWaalsContact O-N 3.17Å; A308-T310 PolarHBondContact O-N 3.32Å
309	N	70.6	Confident	78.2	Confident	73 Å²	73	72.3 Å²	72.3	39%	0.39	39%	0.394	S	S	.	.	S	Bend	trans	-67.5	2.8	178.2	-66.9	-35.1	0	0	0	113.6	A307 K322 L395	A307-N309 PolarHBondContact O-N 3.49Å; A307-N309 VanDerWaalsContact O-N 3.1Å; N309-K322 PolarHBondContact O-N 3.05Å; N309-L395 WeakPolarHBondContact OD1-CD2 3.46Å
310	T	83	Confident	78.9	Confident	65 Å²	65	71.6 Å²	71.6	40%	0.399	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.5	-171.4	-57.1	0	0	0	0	108.5	A308 V319 I320	A308-T310 PolarHBondContact O-N 3.32Å; T310-V319 HydrophobicContact CG2-CG1 3.09Å; T310-I320 WeakPolarHBondContact CA-O 3.41Å
311	K	90	Very high	79.8	Confident	41 Å²	41	74.4 Å²	74.4	18%	0.178	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	163.1	175.9	-64.7	-171.2	-178	-174.9	0	110	I320 W342 L345	K311-I320 PolarHBondContact N-O 2.9Å; K311-I320 PolarHBondContact O-N 3.32Å; K311-I320 VanDerWaalsContact O-O 3.09Å; K311-W342 HydrophobicContact CB-CE3 4.47Å; K311-W342 HydrophobicContact CB-CH2 3.67Å; K311-W342 HydrophobicContact CB-CZ2 4.05Å; K311-W342 HydrophobicContact CB-CZ3 3.89Å; K311-W342 HydrophobicContact CD-CD2 4.16Å; K311-W342 HydrophobicContact CD-CE3 4.47Å; K311-W342 HydrophobicContact CD-CH2 4.35Å; K311-W342 HydrophobicContact CD-CZ2 3.95Å; K311-W342 HydrophobicContact CG-CH2 3.85Å; K311-W342 HydrophobicContact CG-CZ2 3.67Å; K311-W342 HydrophobicContact CG-CZ3 4.38Å; K311-W342 PolarHBondContact NZ-O 2.99Å; K311-L345 HydrophobicContact CD-CD2 4Å
312	E	92.6	Very high	81.1	Confident	105 Å²	105	66.4 Å²	66.4	49%	0.491	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	146.6	176.4	-68.3	178.4	-168.6	0	0	111.7	H317 V319	E312-H317 IonicContact OE2-ND1 3.33Å; E312-V319 HydrophobicContact CG-CG2 4.22Å
313	C	95.5	Very high	82.4	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.363	C	S	.	.			trans	-62.3	129.1	170.7	179.8	0	0	0	0	110.3	S315 C316 H317 V318 I320 C331	C313-S315 PolarHBondContact O-N 2.8Å; C313-S315 VanDerWaalsContact O-N 3.13Å; C313-C316 VanDerWaalsContact SG-SG 3.63Å; C313-H317 VanDerWaalsContact O-CA 3.28Å; C313-H317 WeakPolarHBondContact O-CA 3.4Å; C313-H317 PolarHBondContact O-N 3.37Å; C313-V318 PolarHBondContact N-O 3.3Å; C313-I320 HydrophobicContact CB-CD1 3.79Å; C313-C331 VanDerWaalsContact SG-SG 3.66Å
314	P	95.5	Very high	83.8	Confident	54 Å²	54	67.1 Å²	67.1	35%	0.351	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-18.2	-178	26.5	-35.6	0	0	0	113.7	F340 L345	P314-F340 HydrophobicContact CG-CB 3.92Å; P314-F340 HydrophobicContact CG-CD1 4.13Å; P314-F340 HydrophobicContact CG-CD2 3.95Å; P314-F340 HydrophobicContact CG-CG 3.74Å; P314-L345 WeakPolarHBondContact CB-O 3.43Å; P314-L345 WeakPolarHBondContact CG-O 3.26Å
315	S	95.5	Very high	85.2	Confident	78 Å²	78	61.3 Å²	61.3	55%	0.545	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-35.8	-178.2	-54.4	0	0	0	0	114.1	C313 A338	C313-S315 PolarHBondContact O-N 2.8Å; C313-S315 VanDerWaalsContact O-N 3.13Å; S315-A338 WeakPolarHBondContact OG-CB 3.44Å
316	C	96.7	Very high	86.9	Confident	39 Å²	39	50.8 Å²	50.8	26%	0.264	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.4	0.9	-173.8	71.8	0	0	0	0	114.8	C313 V318 C331 C336	C313-C316 VanDerWaalsContact SG-SG 3.63Å; C316-V318 PolarHBondContact O-N 3.31Å; C316-C331 VanDerWaalsContact SG-SG 3.61Å; C316-C336 HydrophobicContact CB-CB 4.03Å
317	H	94.5	Very high	88.6	Confident	120 Å²	120	49.9 Å²	49.9	56%	0.556	29%	0.286	S	S	*	.			trans	59.3	11.4	176.9	-53.3	-70.2	0	0	0	116	E312 C313 V319	E312-H317 IonicContact OE2-ND1 3.33Å; C313-H317 VanDerWaalsContact O-CA 3.28Å; C313-H317 WeakPolarHBondContact O-CA 3.4Å; C313-H317 PolarHBondContact O-N 3.37Å; H317-V319 PolarHBondContact O-N 3.25Å
318	V	93.9	Very high	90.3	Very high	67 Å²	67	49.1 Å²	49.1	41%	0.406	28%	0.275	S	S	.	.			trans	-65.1	131.9	170.2	174.1	0	0	0	0	108.7	C313 C316 I320	C313-V318 PolarHBondContact N-O 3.3Å; C316-V318 PolarHBondContact O-N 3.31Å; V318-I320 PolarHBondContact O-N 2.87Å
319	V	93.3	Very high	91.7	Very high	92 Å²	92	47.6 Å²	47.6	56%	0.558	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	125.7	176.4	-179.2	0	0	0	0	109.9	T310 E312 H317	T310-V319 HydrophobicContact CG2-CG1 3.09Å; E312-V319 HydrophobicContact CG-CG2 4.22Å; H317-V319 PolarHBondContact O-N 3.25Å
320	I	92.1	Very high	92.8	Very high	29 Å²	29	46.9 Å²	46.9	15%	0.149	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	130.8	-179.6	-63	167.6	0	0	0	108.2	T310 K311 C313 V318 M329 F340 W342	T310-I320 WeakPolarHBondContact CA-O 3.41Å; K311-I320 PolarHBondContact N-O 2.9Å; K311-I320 PolarHBondContact O-N 3.32Å; K311-I320 VanDerWaalsContact O-O 3.09Å; C313-I320 HydrophobicContact CB-CD1 3.79Å; V318-I320 PolarHBondContact O-N 2.87Å; I320-M329 HydrophobicContact CG2-SD 4.37Å; I320-F340 HydrophobicContact CD1-CE1 3.97Å; I320-F340 HydrophobicContact CD1-CZ 3.67Å; I320-W342 HydrophobicContact CB-CZ3 4.2Å; I320-W342 HydrophobicContact CG2-CZ3 3.86Å; I320-W342 WeakPolarHBondContact O-CH2 3.38Å
321	H	90	Very high	93.4	Very high	114 Å²	114	44 Å²	44	53%	0.528	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	133.3	170.5	175.9	-87.9	0	0	0	109.6	D323	H321-D323 PolarHBondContact O-N 3Å
322	K	90.1	Very high	93.6	Very high	3 Å²	3	51.7 Å²	51.7	1%	0.013	27%	0.268	C	S	.	.			trans	-73.8	112.4	178.8	-157	-172.8	-168.1	-176.8	0	110.4	N309 G324 N327 W342 N392 L395 S396 L399	N309-K322 PolarHBondContact O-N 3.05Å; K322-G324 WeakPolarHBondContact CE-O 3.38Å; K322-G324 WeakPolarHBondContact CG-O 3.17Å; K322-N327 PolarHBondContact NZ-OD1 3Å; K322-W342 HydrophobicContact CB-CH2 4Å; K322-W342 HydrophobicContact CB-CZ2 3.7Å; K322-W342 HydrophobicContact CD-CD2 4.35Å; K322-W342 HydrophobicContact CD-CG 4.34Å; K322-W342 HydrophobicContact CD-CZ2 4.44Å; K322-W342 HydrophobicContact CG-CD2 4.38Å; K322-W342 HydrophobicContact CG-CZ2 4.31Å; K322-N392 PolarHBondContact NZ-OD1 3.22Å; K322-L395 HydrophobicContact CD-CD2 4.25Å; K322-S396 PolarHBondContact NZ-OG 3.02Å; K322-L399 HydrophobicContact CD-CD1 4.15Å; K322-L399 HydrophobicContact CG-CD1 4.24Å
323	D	88.7	Confident	93.6	Very high	68 Å²	68	49.1 Å²	49.1	36%	0.364	26%	0.258	S	S	.	.			trans	-109.4	-4.5	-179.2	64.1	-11.5	0	0	0	114.2	H321 R332 K402	H321-D323 PolarHBondContact O-N 3Å; D323-R332 IonicContact OD1-NH2 3.3Å; D323-R332 PolarHBondContact OD1-NH2 3.36Å; D323-R332 IonicContact OD2-CZ 2.98Å; D323-R332 IonicContact OD2-NH1 3.52Å; D323-R332 PolarHBondContact OD2-NH1 2.91Å; D323-R332 IonicContact OD2-NH2 3.69Å; D323-R332 PolarHBondContact OD2-NH2 2.78Å; D323-K402 PolarHBondContact O-NZ 2.92Å
324	G	91.1	Very high	93.5	Very high	1 Å²	1	53 Å²	53	1%	0.01	29%	0.289	C	S	.	.	S	Bend	trans	-136	168.6	175.6	0	0	0	0	0	112.1	K322 L399 E479	K322-G324 WeakPolarHBondContact CE-O 3.38Å; K322-G324 WeakPolarHBondContact CG-O 3.17Å; G324-L399 WeakPolarHBondContact O-CD1 3.21Å; G324-E479 WeakPolarHBondContact CA-OE1 3.48Å
325	G	92.4	Very high	93.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.31	C	S	.	.	S	Bend	trans	-81.2	-20.1	177.6	0	0	0	0	0	114	N327 S396 R438 E479	G325-N327 PolarHBondContact O-N 2.99Å; G325-S396 VanDerWaalsContact O-CB 3.23Å; G325-S396 WeakPolarHBondContact O-CB 3.42Å; G325-S396 PolarHBondContact O-OG 3.41Å; G325-R438 PolarHBondContact O-NH2 3.29Å; G325-R438 VanDerWaalsContact O-NH2 3.1Å; G325-E479 PolarHBondContact N-OE1 3.32Å
326	C	95	Very high	93.5	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.007	29%	0.294	C	S	.	.			trans	-62.6	129.7	178.3	-171.3	0	0	0	0	111.6	H328 S475 G476 E479	C326-H328 PolarHBondContact SG-N 3.49Å; C326-S475 WeakPolarHBondContact CA-OG 3.44Å; C326-S475 WeakPolarHBondContact CB-OG 3.44Å; C326-S475 PolarHBondContact N-OG 2.8Å; C326-G476 VanDerWaalsContact SG-CA 3.54Å; C326-E479 WeakPolarHBondContact CB-OE2 3.41Å; C326-E479 PolarHBondContact N-OE2 3.32Å
327	N	94.9	Very high	93.5	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.011	31%	0.311	C	S	.	.			trans	-87.1	-8.4	176.9	-67.3	-49.6	0	0	0	113.3	K322 G325 M329 C341 W342 N392 E472	K322-N327 PolarHBondContact NZ-OD1 3Å; G325-N327 PolarHBondContact O-N 2.99Å; N327-M329 PolarHBondContact O-N 3.09Å; N327-C341 WeakPolarHBondContact O-CA 3.29Å; N327-W342 HydrophobicContact CB-CB 4.27Å; N327-W342 PolarHBondContact O-N 3.36Å; N327-N392 VanDerWaalsContact CG-ND2 3.33Å; N327-N392 PolarHBondContact ND2-ND2 3Å; N327-N392 VanDerWaalsContact ND2-ND2 3.11Å; N327-N392 PolarHBondContact OD1-ND2 3.39Å; N327-N392 PolarHBondContact OD1-OD1 2.97Å; N327-E472 HydrophobicContact CB-CG 4.46Å; N327-E472 PolarHBondContact N-OE2 3.13Å; N327-E472 PolarHBondContact ND2-OE1 3.03Å
328	H	95.5	Very high	93.5	Very high	26 Å²	26	54.8 Å²	54.8	12%	0.12	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	99.9	169.1	-177	-155.9	0	0	0	109.5	C326 E339 W348 R480	C326-H328 PolarHBondContact SG-N 3.49Å; H328-E339 IonicContact CE1-OE2 2.72Å; H328-E339 PolarHBondContact CE1-OE2 3.34Å; H328-E339 IonicContact NE2-OE2 3.47Å; H328-E339 PolarHBondContact NE2-OE2 3.13Å; H328-W348 HydrophobicContact CB-CD2 3.86Å; H328-W348 HydrophobicContact CB-CE3 3.93Å; H328-W348 HydrophobicContact CB-CH2 3.54Å; H328-W348 HydrophobicContact CB-CZ2 3.46Å; H328-W348 VanDerWaalsContact CB-CZ2 3.46Å; H328-W348 HydrophobicContact CB-CZ3 3.78Å; H328-W348 AromaticContact CD2-CD1 3.37Å; H328-W348 AromaticContact CD2-CD2 3.18Å; H328-W348 AromaticContact CD2-CE2 3.48Å; H328-W348 VanDerWaalsContact CD2-CE2 3.48Å; H328-W348 AromaticContact CD2-CE3 3.77Å; H328-W348 AromaticContact CD2-CG 3.13Å; H328-W348 AromaticContact CD2-NE1 3.55Å; H328-W348 AromaticContact CE1-CD1 3.84Å; H328-W348 AromaticContact CE1-NE1 3.87Å; H328-W348 AromaticContact CG-CD1 3.95Å; H328-W348 AromaticContact CG-CD2 3.6Å; H328-W348 AromaticContact CG-CE2 3.42Å; H328-W348 VanDerWaalsContact CG-CE2 3.42Å; H328-W348 AromaticContact CG-CG 3.94Å; H328-W348 AromaticContact CG-CZ2 3.83Å; H328-W348 AromaticContact CG-NE1 3.63Å; H328-W348 AromaticContact ND1-NE1 3.87Å; H328-W348 AromaticContact NE2-CD1 3.28Å; H328-W348 VanDerWaalsContact NE2-CD1 3.28Å; H328-W348 AromaticContact NE2-CD2 3.95Å; H328-W348 AromaticContact NE2-CG 3.44Å; H328-W348 AromaticContact NE2-NE1 3.69Å; H328-R480 PolarHBondContact ND1-NH2 3.43Å; H328-R480 PolarHBondContact O-NH1 3.38Å
329	M	94.6	Very high	93.6	Very high	22 Å²	22	56.3 Å²	56.3	11%	0.108	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	137.1	-177.8	-62.8	-97.4	80.6	0	0	110.5	I320 N327 E339 F340 W342	I320-M329 HydrophobicContact CG2-SD 4.37Å; N327-M329 PolarHBondContact O-N 3.09Å; M329-E339 CarbonylContact O-C 3.56Å; M329-E339 VanDerWaalsContact O-CA 3.25Å; M329-E339 WeakPolarHBondContact O-CA 3.37Å; M329-F340 HydrophobicContact CB-CD1 4.12Å; M329-F340 HydrophobicContact CB-CD2 4.28Å; M329-F340 HydrophobicContact CB-CE1 3.76Å; M329-F340 HydrophobicContact CB-CE2 3.94Å; M329-F340 HydrophobicContact CB-CG 4.36Å; M329-F340 HydrophobicContact CB-CZ 3.65Å; M329-F340 WeakPolarHBondContact CB-O 3.41Å; M329-F340 HydrophobicContact CG-CE2 4.21Å; M329-F340 HydrophobicContact CG-CZ 4.21Å; M329-F340 PolarHBondContact N-O 2.91Å; M329-F340 PolarHBondContact O-N 3.44Å; M329-W342 HydrophobicContact CG-CB 3.83Å; M329-W342 HydrophobicContact CG-CD2 4.46Å; M329-W342 HydrophobicContact CG-CE3 3.83Å; M329-W342 HydrophobicContact SD-CB 4.45Å; M329-W342 HydrophobicContact SD-CD2 4.08Å; M329-W342 HydrophobicContact SD-CE3 3.3Å; M329-W342 HydrophobicContact SD-CZ3 3.82Å
330	T	94.6	Very high	93.8	Very high	57 Å²	57	52 Å²	52	35%	0.35	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.1	168.5	-51.8	0	0	0	0	108.6	R332 E339	T330-R332 PolarHBondContact O-N 3.17Å; T330-E339 HydrophobicContact CG2-CG 4.12Å
331	C	95.4	Very high	94	Very high	4 Å²	4	50.8 Å²	50.8	3%	0.027	27%	0.266	C	S	.	.			trans	-63.2	121.4	-179.6	-173	0	0	0	0	111	C313 C316 N333 C336 K337 A338	C313-C331 VanDerWaalsContact SG-SG 3.66Å; C316-C331 VanDerWaalsContact SG-SG 3.61Å; C331-N333 PolarHBondContact O-N 3.19Å; C331-C336 HydrophobicContact CB-CB 4.27Å; C331-K337 WeakPolarHBondContact O-CA 3.36Å; C331-A338 PolarHBondContact N-O 3.46Å
332	R	93.1	Very high	94.2	Very high	204 Å²	204	45.6 Å²	45.6	77%	0.77	24%	0.241	S	C	*	.			trans	-72.9	-10	179.1	-64.4	-175.5	-178.3	166.8	5.2	113.8	D323 T330 A334	D323-R332 IonicContact OD1-NH2 3.3Å; D323-R332 PolarHBondContact OD1-NH2 3.36Å; D323-R332 IonicContact OD2-CZ 2.98Å; D323-R332 IonicContact OD2-NH1 3.52Å; D323-R332 PolarHBondContact OD2-NH1 2.91Å; D323-R332 IonicContact OD2-NH2 3.69Å; D323-R332 PolarHBondContact OD2-NH2 2.78Å; T330-R332 PolarHBondContact O-N 3.17Å; R332-A334 PolarHBondContact O-N 3.21Å
333	N	93.1	Very high	94.3	Very high	51 Å²	51	46.1 Å²	46.1	27%	0.273	24%	0.244	S	C	.	.			trans	-66.2	118.9	173.8	-179.3	-12.8	0	0	0	109.1	C331 T335 C336 K337	C331-N333 PolarHBondContact O-N 3.19Å; N333-T335 PolarHBondContact ND2-OG1 2.94Å; N333-T335 PolarHBondContact O-N 2.74Å; N333-T335 PolarHBondContact OD1-N 3.33Å; N333-T335 VanDerWaalsContact OD1-N 3.07Å; N333-T335 PolarHBondContact OD1-OG1 3.22Å; N333-C336 HydrophobicContact CB-CB 4.05Å; N333-C336 PolarHBondContact O-N 2.99Å; N333-K337 PolarHBondContact O-N 3.39Å; N333-K337 VanDerWaalsContact O-N 3.13Å
334	A	93.6	Very high	94.5	Very high	81 Å²	81	45 Å²	45	67%	0.669	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-26.9	-176.3	0	0	0	0	0	114	R332 K337	R332-A334 PolarHBondContact O-N 3.21Å; A334-K337 WeakPolarHBondContact O-CE 3.48Å
335	T	95.7	Very high	94.6	Very high	127 Å²	127	48.1 Å²	48.1	78%	0.779	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-18.5	179	58.7	0	0	0	0	114	N333	N333-T335 PolarHBondContact ND2-OG1 2.94Å; N333-T335 PolarHBondContact O-N 2.74Å; N333-T335 PolarHBondContact OD1-N 3.33Å; N333-T335 VanDerWaalsContact OD1-N 3.07Å; N333-T335 PolarHBondContact OD1-OG1 3.22Å
336	C	96	Very high	94.7	Very high	33 Å²	33	48.7 Å²	48.7	22%	0.223	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-61.3	-174.7	179.2	0	0	0	0	111.4	C316 C331 N333 A338	C316-C336 HydrophobicContact CB-CB 4.03Å; C331-C336 HydrophobicContact CB-CB 4.27Å; N333-C336 HydrophobicContact CB-CB 4.05Å; N333-C336 PolarHBondContact O-N 2.99Å; C336-A338 PolarHBondContact O-N 3.26Å
337	K	94.9	Very high	94.8	Very high	143 Å²	143	52.3 Å²	52.3	62%	0.622	29%	0.287	S	S	*	.			trans	48.1	16.7	-177.3	-58.9	-173.1	179.3	-175.6	0	116.1	C331 N333 A334	C331-K337 WeakPolarHBondContact O-CA 3.36Å; N333-K337 PolarHBondContact O-N 3.39Å; N333-K337 VanDerWaalsContact O-N 3.13Å; A334-K337 WeakPolarHBondContact O-CE 3.48Å
338	A	95.9	Very high	94.8	Very high	25 Å²	25	53.9 Å²	53.9	21%	0.207	29%	0.293	C	S	.	.			trans	-64.2	142.5	179.5	0	0	0	0	0	111	S315 C331 C336	S315-A338 WeakPolarHBondContact OG-CB 3.44Å; C331-A338 PolarHBondContact N-O 3.46Å; C336-A338 PolarHBondContact O-N 3.26Å
339	E	96.3	Very high	94.8	Very high	99 Å²	99	61.4 Å²	61.4	46%	0.463	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	128.9	175.5	-60.1	-167.7	166	0	0	111	H328 M329 T330 W348	H328-E339 IonicContact CE1-OE2 2.72Å; H328-E339 PolarHBondContact CE1-OE2 3.34Å; H328-E339 IonicContact NE2-OE2 3.47Å; H328-E339 PolarHBondContact NE2-OE2 3.13Å; M329-E339 CarbonylContact O-C 3.56Å; M329-E339 VanDerWaalsContact O-CA 3.25Å; M329-E339 WeakPolarHBondContact O-CA 3.37Å; T330-E339 HydrophobicContact CG2-CG 4.12Å; E339-W348 HydrophobicContact CB-CB 4.05Å; E339-W348 PolarHBondContact O-N 2.96Å; E339-W348 VanDerWaalsContact O-N 3.12Å
340	F	96.7	Very high	94.8	Very high	3 Å²	3	61.4 Å²	61.4	1%	0.013	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	161.7	-173.7	68	-82.5	0	0	0	111.7	P314 I320 M329 L345 G346	P314-F340 HydrophobicContact CG-CB 3.92Å; P314-F340 HydrophobicContact CG-CD1 4.13Å; P314-F340 HydrophobicContact CG-CD2 3.95Å; P314-F340 HydrophobicContact CG-CG 3.74Å; I320-F340 HydrophobicContact CD1-CE1 3.97Å; I320-F340 HydrophobicContact CD1-CZ 3.67Å; M329-F340 HydrophobicContact CB-CD1 4.12Å; M329-F340 HydrophobicContact CB-CD2 4.28Å; M329-F340 HydrophobicContact CB-CE1 3.76Å; M329-F340 HydrophobicContact CB-CE2 3.94Å; M329-F340 HydrophobicContact CB-CG 4.36Å; M329-F340 HydrophobicContact CB-CZ 3.65Å; M329-F340 WeakPolarHBondContact CB-O 3.41Å; M329-F340 HydrophobicContact CG-CE2 4.21Å; M329-F340 HydrophobicContact CG-CZ 4.21Å; M329-F340 PolarHBondContact N-O 2.91Å; M329-F340 PolarHBondContact O-N 3.44Å; F340-L345 HydrophobicContact CD2-CD2 4.13Å; F340-L345 HydrophobicContact CE2-CD2 3.92Å; F340-G346 CarbonylContact C-O 3.5Å; F340-G346 VanDerWaalsContact CA-O 3.26Å; F340-G346 WeakPolarHBondContact CA-O 3.48Å; F340-G346 VanDerWaalsContact CB-O 3.3Å; F340-G346 WeakPolarHBondContact CB-O 3.24Å
341	C	96	Very high	94.7	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.02	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	128.6	175.5	173.9	0	0	0	0	110.7	N327 V343 L345 G346 W348 H351	N327-C341 WeakPolarHBondContact O-CA 3.29Å; C341-V343 PolarHBondContact O-N 3.12Å; C341-V343 PolarHBondContact SG-N 2.91Å; C341-L345 WeakPolarHBondContact O-CA 3.45Å; C341-L345 PolarHBondContact O-N 2.88Å; C341-G346 PolarHBondContact N-O 2.8Å; C341-W348 HydrophobicContact CB-CE3 3.86Å; C341-W348 HydrophobicContact CB-CZ3 3.94Å; C341-H351 VanDerWaalsContact CB-CE1 3.41Å; C341-H351 WeakPolarHBondContact CB-CE1 3.48Å; C341-H351 WeakPolarHBondContact CB-NE2 3.36Å
342	W	94.5	Very high	94.1	Very high	5 Å²	5	61.6 Å²	61.6	2%	0.019	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-31.2	178.5	-176.8	-102	0	0	0	113.5	K311 I320 K322 N327 M329 N392	K311-W342 HydrophobicContact CB-CE3 4.47Å; K311-W342 HydrophobicContact CB-CH2 3.67Å; K311-W342 HydrophobicContact CB-CZ2 4.05Å; K311-W342 HydrophobicContact CB-CZ3 3.89Å; K311-W342 HydrophobicContact CD-CD2 4.16Å; K311-W342 HydrophobicContact CD-CE3 4.47Å; K311-W342 HydrophobicContact CD-CH2 4.35Å; K311-W342 HydrophobicContact CD-CZ2 3.95Å; K311-W342 HydrophobicContact CG-CH2 3.85Å; K311-W342 HydrophobicContact CG-CZ2 3.67Å; K311-W342 HydrophobicContact CG-CZ3 4.38Å; K311-W342 PolarHBondContact NZ-O 2.99Å; I320-W342 HydrophobicContact CB-CZ3 4.2Å; I320-W342 HydrophobicContact CG2-CZ3 3.86Å; I320-W342 WeakPolarHBondContact O-CH2 3.38Å; K322-W342 HydrophobicContact CB-CH2 4Å; K322-W342 HydrophobicContact CB-CZ2 3.7Å; K322-W342 HydrophobicContact CD-CD2 4.35Å; K322-W342 HydrophobicContact CD-CG 4.34Å; K322-W342 HydrophobicContact CD-CZ2 4.44Å; K322-W342 HydrophobicContact CG-CD2 4.38Å; K322-W342 HydrophobicContact CG-CZ2 4.31Å; N327-W342 HydrophobicContact CB-CB 4.27Å; N327-W342 PolarHBondContact O-N 3.36Å; M329-W342 HydrophobicContact CG-CB 3.83Å; M329-W342 HydrophobicContact CG-CD2 4.46Å; M329-W342 HydrophobicContact CG-CE3 3.83Å; M329-W342 HydrophobicContact SD-CB 4.45Å; M329-W342 HydrophobicContact SD-CD2 4.08Å; M329-W342 HydrophobicContact SD-CE3 3.3Å; M329-W342 HydrophobicContact SD-CZ3 3.82Å; W342-N392 VanDerWaalsContact CD1-OD1 3.27Å
343	V	92.9	Very high	94	Very high	13 Å²	13	53.2 Å²	53.2	8%	0.079	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-61.9	-175.8	179.5	0	0	0	0	110.6	C341 R389 N392	C341-V343 PolarHBondContact O-N 3.12Å; C341-V343 PolarHBondContact SG-N 2.91Å; V343-R389 HydrophobicContact CG1-CG 3.86Å; V343-N392 VanDerWaalsContact CG2-ND2 3.27Å; V343-N392 WeakPolarHBondContact CG2-ND2 3.47Å
344	C	92.3	Very high	93.6	Very high	45 Å²	45	56.7 Å²	56.7	30%	0.304	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-10.4	-174.4	65.3	0	0	0	0	114.8	G346 C358	C344-G346 PolarHBondContact O-N 3.37Å; C344-G346 VanDerWaalsContact O-N 3.09Å; C344-G346 PolarHBondContact SG-N 3.43Å; C344-G346 VanDerWaalsContact SG-N 3.39Å; C344-C358 VanDerWaalsContact CB-SG 3.53Å
345	L	93.8	Very high	93.4	Very high	67 Å²	67	62.2 Å²	62.2	35%	0.351	34%	0.341	S	S	.	.			trans	59.2	12.4	-172	-54.9	176.9	0	0	0	114.3	K311 P314 F340 C341	K311-L345 HydrophobicContact CD-CD2 4Å; P314-L345 WeakPolarHBondContact CB-O 3.43Å; P314-L345 WeakPolarHBondContact CG-O 3.26Å; F340-L345 HydrophobicContact CD2-CD2 4.13Å; F340-L345 HydrophobicContact CE2-CD2 3.92Å; C341-L345 WeakPolarHBondContact O-CA 3.45Å; C341-L345 PolarHBondContact O-N 2.88Å
346	G	94.9	Very high	93.1	Very high	11 Å²	11	58.8 Å²	58.8	11%	0.113	31%	0.314	C	S	.	.			trans	-81.7	165.1	172.6	0	0	0	0	0	112.7	F340 C341 C344	F340-G346 CarbonylContact C-O 3.5Å; F340-G346 VanDerWaalsContact CA-O 3.26Å; F340-G346 WeakPolarHBondContact CA-O 3.48Å; F340-G346 VanDerWaalsContact CB-O 3.3Å; F340-G346 WeakPolarHBondContact CB-O 3.24Å; C341-G346 PolarHBondContact N-O 2.8Å; C344-G346 PolarHBondContact O-N 3.37Å; C344-G346 VanDerWaalsContact O-N 3.09Å; C344-G346 PolarHBondContact SG-N 3.43Å; C344-G346 VanDerWaalsContact SG-N 3.39Å
347	P	96.3	Very high	92.7	Very high	77 Å²	77	58.8 Å²	58.8	50%	0.5	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-58.3	147.4	177.7	26.2	-35.1	0	0	0	111.5	P350 H351	P347-P350 HydrophobicContact CB-CG 4.49Å; P347-P350 HydrophobicContact CG-CG 3.95Å; P347-P350 WeakPolarHBondContact O-CD 3.45Å; P347-H351 PolarHBondContact O-CE1 3.2Å; P347-H351 VanDerWaalsContact O-CE1 3.28Å; P347-H351 PolarHBondContact O-ND1 2.89Å
348	W	95.7	Very high	92.6	Very high	36 Å²	36	52.4 Å²	52.4	14%	0.136	29%	0.288	C	S	.	.	S	Bend	trans	-73.1	-45.1	-178.9	-170.3	-102.6	0	0	0	112.8	H328 E339 C341 P350 H351 E472	H328-W348 HydrophobicContact CB-CD2 3.86Å; H328-W348 HydrophobicContact CB-CE3 3.93Å; H328-W348 HydrophobicContact CB-CH2 3.54Å; H328-W348 HydrophobicContact CB-CZ2 3.46Å; H328-W348 VanDerWaalsContact CB-CZ2 3.46Å; H328-W348 HydrophobicContact CB-CZ3 3.78Å; H328-W348 AromaticContact CD2-CD1 3.37Å; H328-W348 AromaticContact CD2-CD2 3.18Å; H328-W348 AromaticContact CD2-CE2 3.48Å; H328-W348 VanDerWaalsContact CD2-CE2 3.48Å; H328-W348 AromaticContact CD2-CE3 3.77Å; H328-W348 AromaticContact CD2-CG 3.13Å; H328-W348 AromaticContact CD2-NE1 3.55Å; H328-W348 AromaticContact CE1-CD1 3.84Å; H328-W348 AromaticContact CE1-NE1 3.87Å; H328-W348 AromaticContact CG-CD1 3.95Å; H328-W348 AromaticContact CG-CD2 3.6Å; H328-W348 AromaticContact CG-CE2 3.42Å; H328-W348 VanDerWaalsContact CG-CE2 3.42Å; H328-W348 AromaticContact CG-CG 3.94Å; H328-W348 AromaticContact CG-CZ2 3.83Å; H328-W348 AromaticContact CG-NE1 3.63Å; H328-W348 AromaticContact ND1-NE1 3.87Å; H328-W348 AromaticContact NE2-CD1 3.28Å; H328-W348 VanDerWaalsContact NE2-CD1 3.28Å; H328-W348 AromaticContact NE2-CD2 3.95Å; H328-W348 AromaticContact NE2-CG 3.44Å; H328-W348 AromaticContact NE2-NE1 3.69Å; E339-W348 HydrophobicContact CB-CB 4.05Å; E339-W348 PolarHBondContact O-N 2.96Å; E339-W348 VanDerWaalsContact O-N 3.12Å; C341-W348 HydrophobicContact CB-CE3 3.86Å; C341-W348 HydrophobicContact CB-CZ3 3.94Å; W348-P350 VanDerWaalsContact C-CD 3.47Å; W348-P350 VanDerWaalsContact C-N 3.34Å; W348-P350 VanDerWaalsContact O-N 3.11Å; W348-H351 VanDerWaalsContact O-CB 3.24Å; W348-H351 WeakPolarHBondContact O-CB 3.36Å; W348-H351 PolarHBondContact O-N 3.11Å; W348-H351 PolarHBondContact O-ND1 3.24Å; W348-H351 VanDerWaalsContact O-ND1 3.13Å; W348-E472 HydrophobicContact CH2-CB 3.8Å; W348-E472 HydrophobicContact CH2-CG 3.94Å; W348-E472 HydrophobicContact CZ2-CB 4.04Å
349	E	94.2	Very high	92.6	Very high	183 Å²	183	51.3 Å²	51.3	86%	0.855	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-39.9	-172.3	-174.4	-170.9	175.7	0	0	115.4	H351	E349-H351 PolarHBondContact O-N 2.66Å
350	P	94.5	Very high	92.4	Very high	22 Å²	22	49.4 Å²	49.4	14%	0.143	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-16.8	176.8	-25	38.2	0	0	0	115	P347 W348 G352 S353 W355 Y356	P347-P350 HydrophobicContact CB-CG 4.49Å; P347-P350 HydrophobicContact CG-CG 3.95Å; P347-P350 WeakPolarHBondContact O-CD 3.45Å; W348-P350 VanDerWaalsContact C-CD 3.47Å; W348-P350 VanDerWaalsContact C-N 3.34Å; W348-P350 VanDerWaalsContact O-N 3.11Å; P350-G352 PolarHBondContact O-N 3.33Å; P350-S353 VanDerWaalsContact O-CB 3.31Å; P350-S353 WeakPolarHBondContact O-CB 3.19Å; P350-S353 PolarHBondContact O-N 2.98Å; P350-S353 VanDerWaalsContact O-N 3.09Å; P350-S353 PolarHBondContact O-OG 3.14Å; P350-W355 HydrophobicContact CB-CH2 3.74Å; P350-W355 HydrophobicContact CB-CZ2 3.9Å; P350-W355 HydrophobicContact CG-CH2 4.04Å; P350-W355 HydrophobicContact CG-CZ2 4.36Å; P350-Y356 HydrophobicContact CB-CD1 4.03Å; P350-Y356 HydrophobicContact CB-CD2 4.08Å; P350-Y356 HydrophobicContact CB-CG 3.73Å
351	H	92.3	Very high	92.2	Very high	26 Å²	26	50.5 Å²	50.5	12%	0.12	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	130	178.2	-69.4	69.8	0	0	0	109.9	C341 P347 W348 E349 Y356 L469	C341-H351 VanDerWaalsContact CB-CE1 3.41Å; C341-H351 WeakPolarHBondContact CB-CE1 3.48Å; C341-H351 WeakPolarHBondContact CB-NE2 3.36Å; P347-H351 PolarHBondContact O-CE1 3.2Å; P347-H351 VanDerWaalsContact O-CE1 3.28Å; P347-H351 PolarHBondContact O-ND1 2.89Å; W348-H351 VanDerWaalsContact O-CB 3.24Å; W348-H351 WeakPolarHBondContact O-CB 3.36Å; W348-H351 PolarHBondContact O-N 3.11Å; W348-H351 PolarHBondContact O-ND1 3.24Å; W348-H351 VanDerWaalsContact O-ND1 3.13Å; E349-H351 PolarHBondContact O-N 2.66Å; H351-Y356 AromaticContact CE1-CE1 3.49Å; H351-Y356 VanDerWaalsContact CE1-CE1 3.49Å; H351-Y356 WeakPolarHBondContact CE1-CE1 3.44Å; H351-Y356 AromaticContact ND1-CE1 3.8Å; H351-Y356 AromaticContact NE2-CE1 3.8Å; H351-L469 HydrophobicContact CB-CD1 4.25Å
352	G	84.4	Confident	91.6	Very high	40 Å²	40	54.8 Å²	54.8	41%	0.412	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.7	-8.1	-173.7	0	0	0	0	0	114.6	P350	P350-G352 PolarHBondContact O-N 3.33Å
353	S	89.5	Confident	90.9	Very high	28 Å²	28	55.7 Å²	55.7	20%	0.196	30%	0.299	C	S	.	.	S	Bend	trans	-77.8	150.2	167.2	73.4	0	0	0	0	111.3	P350 W355 Y356	P350-S353 VanDerWaalsContact O-CB 3.31Å; P350-S353 WeakPolarHBondContact O-CB 3.19Å; P350-S353 PolarHBondContact O-N 2.98Å; P350-S353 VanDerWaalsContact O-N 3.09Å; P350-S353 PolarHBondContact O-OG 3.14Å; S353-W355 PolarHBondContact O-N 3.33Å; S353-W355 PolarHBondContact OG-NE1 2.74Å; S353-Y356 PolarHBondContact O-N 3.39Å; S353-Y356 WeakPolarHBondContact OG-CB 3.04Å
354	S	85.5	Confident	90.1	Very high	123 Å²	123	60.4 Å²	60.4	86%	0.86	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-20.1	-178.9	-47.3	0	0	0	0	114
355	W	88.8	Confident	89	Confident	197 Å²	197	61.7 Å²	61.7	75%	0.746	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-12.7	-175.4	61.7	-93.8	0	0	0	113.6	P350 S353	P350-W355 HydrophobicContact CB-CH2 3.74Å; P350-W355 HydrophobicContact CB-CZ2 3.9Å; P350-W355 HydrophobicContact CG-CH2 4.04Å; P350-W355 HydrophobicContact CG-CZ2 4.36Å; S353-W355 PolarHBondContact O-N 3.33Å; S353-W355 PolarHBondContact OG-NE1 2.74Å
356	Y	89.2	Confident	87.9	Confident	56 Å²	56	60 Å²	60	22%	0.22	33%	0.327	C	S	.	.			trans	-118	117.4	179.9	-169.8	-90.8	0	0	0	110.4	P350 H351 S353 C358	P350-Y356 HydrophobicContact CB-CD1 4.03Å; P350-Y356 HydrophobicContact CB-CD2 4.08Å; P350-Y356 HydrophobicContact CB-CG 3.73Å; H351-Y356 AromaticContact CE1-CE1 3.49Å; H351-Y356 VanDerWaalsContact CE1-CE1 3.49Å; H351-Y356 WeakPolarHBondContact CE1-CE1 3.44Å; H351-Y356 AromaticContact ND1-CE1 3.8Å; H351-Y356 AromaticContact NE2-CE1 3.8Å; S353-Y356 PolarHBondContact O-N 3.39Å; S353-Y356 WeakPolarHBondContact OG-CB 3.04Å; Y356-C358 HydrophobicContact CE1-CB 4.29Å
357	S	88.3	Confident	86.9	Confident	33 Å²	33	65.6 Å²	65.6	23%	0.231	36%	0.358	C	S	.	.			trans	-128.6	101.4	-179.6	-55.1	0	0	0	0	110.6	N359 R360	S357-N359 VanDerWaalsContact C-N 3.31Å; S357-R360 PolarHBondContact OG-NH1 3.44Å
358	C	92.9	Very high	86.1	Confident	8 Å²	8	65.1 Å²	65.1	5%	0.054	36%	0.361	C	S	.	.	S	Bend	trans	-68.8	-29.8	177.7	178.7	0	0	0	0	112.3	C344 Y356 R389	C344-C358 VanDerWaalsContact CB-SG 3.53Å; Y356-C358 HydrophobicContact CE1-CB 4.29Å; C358-R389 PolarHBondContact O-NE 3Å; C358-R389 PolarHBondContact O-NH2 3.33Å
359	N	94.7	Very high	85.3	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.011	36%	0.361	C	S	.	.	S	Bend	trans	-74.7	-30.9	-174.9	64.7	-40.3	0	0	0	113.8	S357 H385 Y445 E461 Q464	S357-N359 VanDerWaalsContact C-N 3.31Å; N359-H385 PolarHBondContact O-NE2 2.81Å; N359-Y445 HydrophobicContact CB-CE1 4.23Å; N359-Y445 WeakPolarHBondContact CB-OH 3.48Å; N359-E461 PolarHBondContact ND2-O 3.29Å; N359-Q464 PolarHBondContact ND2-OE1 3.03Å
360	R	93.2	Very high	84.7	Confident	60 Å²	60	66.1 Å²	66.1	23%	0.226	36%	0.36	C	S	.	.			trans	-71.9	138.4	-174.6	-67.6	-175.8	164	132.3	-0	112.9	S357 H385 I458 E461 N462	S357-R360 PolarHBondContact OG-NH1 3.44Å; R360-H385 PolarHBondContact O-CE1 3.41Å; R360-H385 VanDerWaalsContact O-CE1 3.25Å; R360-I458 PolarHBondContact NH2-O 3.16Å; R360-E461 WeakPolarHBondContact CD-OE2 3.21Å; R360-E461 HydrophobicContact CG-CB 4.14Å; R360-E461 HydrophobicContact CG-CG 4.21Å; R360-E461 IonicContact CZ-OE2 3.3Å; R360-E461 IonicContact NE-OE2 3.33Å; R360-E461 PolarHBondContact NE-OE2 3.02Å; R360-E461 IonicContact NH2-OE2 2.65Å; R360-N462 VanDerWaalsContact NH2-CG 3.28Å; R360-N462 PolarHBondContact NH2-OD1 3.29Å
361	Y	91.7	Very high	84.4	Confident	25 Å²	25	68.3 Å²	68.3	10%	0.098	37%	0.373	C	S	.	.			trans	-92.7	136.6	167.2	-175.5	-107.1	0	0	0	109.7	D363 R382 H385 Y386	Y361-D363 VanDerWaalsContact CD1-OD1 3.29Å; Y361-D363 WeakPolarHBondContact CD1-OD1 3.36Å; Y361-D363 WeakPolarHBondContact CE1-OD1 3.37Å; Y361-R382 HydrophobicContact CD1-CB 4.27Å; Y361-R382 HydrophobicContact CD1-CG 3.77Å; Y361-R382 HydrophobicContact CE1-CB 3.72Å; Y361-R382 HydrophobicContact CE1-CG 3.71Å; Y361-R382 HydrophobicContact CE2-CB 4.32Å; Y361-R382 HydrophobicContact CG-CG 4.27Å; Y361-H385 HydrophobicContact CD2-CB 3.68Å; Y361-H385 AromaticContact CD2-CG 3.58Å; Y361-H385 AromaticContact CD2-ND1 3.76Å; Y361-H385 HydrophobicContact CE2-CB 4.13Å; Y361-Y386 HydrophobicContact CG-CE2 4.46Å
362	N	84.7	Confident	84.1	Confident	93 Å²	93	70.5 Å²	70.5	50%	0.497	40%	0.396	S	S	.	.			trans	-89.8	107.5	174.2	-171.3	-3.9	0	0	0	110.3	D364	N362-D364 PolarHBondContact ND2-OD2 3.45Å; N362-D364 PolarHBondContact O-N 2.91Å; N362-D364 VanDerWaalsContact OD1-CB 3.23Å; N362-D364 WeakPolarHBondContact OD1-CB 3.28Å; N362-D364 PolarHBondContact OD1-N 3.45Å; N362-D364 PolarHBondContact OD1-OD1 2.87Å; N362-D364 PolarHBondContact OD1-OD2 2.98Å
363	D	78.6	Confident	84.2	Confident	25 Å²	25	76.4 Å²	76.4	13%	0.134	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-3.5	177.6	-78.6	-39.1	0	0	0	113.7	Y361 T365 A366 V367 R382 R524	Y361-D363 VanDerWaalsContact CD1-OD1 3.29Å; Y361-D363 WeakPolarHBondContact CD1-OD1 3.36Å; Y361-D363 WeakPolarHBondContact CE1-OD1 3.37Å; D363-T365 PolarHBondContact O-N 3.45Å; D363-T365 VanDerWaalsContact O-N 3.12Å; D363-A366 WeakPolarHBondContact O-CA 3.47Å; D363-A366 WeakPolarHBondContact O-CB 3.47Å; D363-A366 PolarHBondContact O-N 3.1Å; D363-V367 PolarHBondContact O-N 3.43Å; D363-V367 VanDerWaalsContact O-N 3.13Å; D363-R382 IonicContact OD1-NE 3.52Å; D363-R524 IonicContact OD2-NH2 3.23Å
364	D	76.7	Confident	84	Confident	111 Å²	111	79 Å²	79	59%	0.594	42%	0.422	S	S	*	.	H	α-helix	trans	-54.4	-35.9	-178.6	-68.8	-21.4	0	0	0	112.5	N362 V367 A368	N362-D364 PolarHBondContact ND2-OD2 3.45Å; N362-D364 PolarHBondContact O-N 2.91Å; N362-D364 VanDerWaalsContact OD1-CB 3.23Å; N362-D364 WeakPolarHBondContact OD1-CB 3.28Å; N362-D364 PolarHBondContact OD1-N 3.45Å; N362-D364 PolarHBondContact OD1-OD1 2.87Å; N362-D364 PolarHBondContact OD1-OD2 2.98Å; D364-V367 PolarHBondContact O-N 3.43Å; D364-A368 PolarHBondContact O-N 2.88Å
365	T	69.6	Low	84	Confident	72 Å²	72	79.7 Å²	79.7	44%	0.442	41%	0.406	S	S	.	.	H	α-helix	trans	-70.2	-31.4	177.9	54.7	0	0	0	0	112.6	D363 A368 A369	D363-T365 PolarHBondContact O-N 3.45Å; D363-T365 VanDerWaalsContact O-N 3.12Å; T365-A368 PolarHBondContact O-N 2.95Å; T365-A369 PolarHBondContact O-N 3.14Å
366	A	71.3	Confident	83.8	Confident	33 Å²	33	74 Å²	74	27%	0.273	40%	0.395	S	S	.	.	H	α-helix	trans	-71.6	-38.2	175.3	0	0	0	0	0	111.3	D363 A368 A369	D363-A366 WeakPolarHBondContact O-CA 3.47Å; D363-A366 WeakPolarHBondContact O-CB 3.47Å; D363-A366 PolarHBondContact O-N 3.1Å; A366-A368 PolarHBondContact O-N 3.15Å; A366-A369 WeakPolarHBondContact O-CB 3.33Å; A366-A369 PolarHBondContact O-N 3.1Å
367	V	73.6	Confident	83.7	Confident	128 Å²	128	78.9 Å²	78.9	78%	0.776	41%	0.414	S	S	*	.	H	α-helix	trans	-63.4	-31.5	175.2	179.4	0	0	0	0	111.5	D363 D364	D363-V367 PolarHBondContact O-N 3.43Å; D363-V367 VanDerWaalsContact O-N 3.13Å; D364-V367 PolarHBondContact O-N 3.43Å
368	A	78.4	Confident	83.6	Confident	67 Å²	67	78 Å²	78	55%	0.554	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-15	178.3	0	0	0	0	0	114.4	D364 T365 A366 R370	D364-A368 PolarHBondContact O-N 2.88Å; T365-A368 PolarHBondContact O-N 2.95Å; A366-A368 PolarHBondContact O-N 3.15Å; A368-R370 PolarHBondContact O-N 3.33Å
369	A	78.9	Confident	83.3	Confident	17 Å²	17	83.6 Å²	83.6	14%	0.14	43%	0.432	C	S	.	.			trans	-72.4	118.6	-175.3	0	0	0	0	0	111.9	T365 A366 E374 R375 T378	T365-A369 PolarHBondContact O-N 3.14Å; A366-A369 WeakPolarHBondContact O-CB 3.33Å; A366-A369 PolarHBondContact O-N 3.1Å; A369-E374 HydrophobicContact CB-CB 3.71Å; A369-R375 HydrophobicContact CB-CG 3.97Å; A369-T378 HydrophobicContact CB-CG2 4.22Å
370	R	81.7	Confident	82.9	Confident	223 Å²	223	87.4 Å²	87.4	84%	0.842	45%	0.452	S	S	*	.			trans	-105.4	-37.3	-177.8	-61.9	-170.8	-178.3	-148.8	-0.4	112.5	A368 E374	A368-R370 PolarHBondContact O-N 3.33Å; R370-E374 PolarHBondContact N-OE2 3.05Å
371	T	89	Confident	82.7	Confident	67 Å²	67	88.3 Å²	88.3	41%	0.411	46%	0.459	S	S	.	.	S	Bend	trans	-84.8	159	-179.4	67.4	0	0	0	0	111.6	Q373 E374 R375	T371-Q373 VanDerWaalsContact C-N 3.25Å; T371-Q373 PolarHBondContact O-N 3.36Å; T371-E374 PolarHBondContact N-OE2 3.4Å; T371-E374 PolarHBondContact O-N 3.14Å; T371-E374 WeakPolarHBondContact OG1-CB 3.31Å; T371-E374 VanDerWaalsContact OG1-CD 3.3Å; T371-E374 WeakPolarHBondContact OG1-CG 3.38Å; T371-E374 PolarHBondContact OG1-N 3.04Å; T371-E374 VanDerWaalsContact OG1-N 3.09Å; T371-E374 PolarHBondContact OG1-OE2 3.11Å; T371-R375 PolarHBondContact O-N 2.86Å; T371-R375 VanDerWaalsContact O-N 3.09Å
372	A	85.3	Confident	82.6	Confident	73 Å²	73	87.8 Å²	87.8	60%	0.603	46%	0.457	S	S	*	.	H	α-helix	trans	-61.2	-37.6	173.7	0	0	0	0	0	111.6	R375 S376	A372-R375 PolarHBondContact O-N 3.13Å; A372-S376 PolarHBondContact O-N 3.02Å
373	Q	85.8	Confident	82.9	Confident	163 Å²	163	83.4 Å²	83.4	76%	0.762	43%	0.433	S	S	*	.	H	α-helix	trans	-65.2	-42.9	176.9	-170.8	179.3	10.9	0	0	112.2	T371 S376 R377	T371-Q373 VanDerWaalsContact C-N 3.25Å; T371-Q373 PolarHBondContact O-N 3.36Å; Q373-S376 PolarHBondContact O-N 3.41Å; Q373-R377 WeakPolarHBondContact O-CB 3.49Å; Q373-R377 PolarHBondContact O-N 3.42Å
374	E	85.9	Confident	83.5	Confident	82 Å²	82	84.4 Å²	84.4	38%	0.383	44%	0.44	S	S	.	.	H	α-helix	trans	-62.8	-43.8	175.5	-75.1	164.3	173.5	0	0	111.5	A369 R370 T371 R377 T378	A369-E374 HydrophobicContact CB-CB 3.71Å; R370-E374 PolarHBondContact N-OE2 3.05Å; T371-E374 PolarHBondContact N-OE2 3.4Å; T371-E374 PolarHBondContact O-N 3.14Å; T371-E374 WeakPolarHBondContact OG1-CB 3.31Å; T371-E374 VanDerWaalsContact OG1-CD 3.3Å; T371-E374 WeakPolarHBondContact OG1-CG 3.38Å; T371-E374 PolarHBondContact OG1-N 3.04Å; T371-E374 VanDerWaalsContact OG1-N 3.09Å; T371-E374 PolarHBondContact OG1-OE2 3.11Å; E374-R377 PolarHBondContact O-N 3.29Å; E374-T378 WeakPolarHBondContact O-CG2 3.27Å; E374-T378 PolarHBondContact O-N 3.16Å; E374-T378 PolarHBondContact O-OG1 2.94Å
375	R	85.6	Confident	84.2	Confident	139 Å²	139	80.3 Å²	80.3	53%	0.525	42%	0.418	S	S	.	.	H	α-helix	trans	-58.7	-50.2	177	-77.7	-175	-88.3	178.3	-7.6	111.6	A369 T371 A372 R377 T378 E379	A369-R375 HydrophobicContact CB-CG 3.97Å; T371-R375 PolarHBondContact O-N 2.86Å; T371-R375 VanDerWaalsContact O-N 3.09Å; A372-R375 PolarHBondContact O-N 3.13Å; R375-R377 VanDerWaalsContact C-N 3.3Å; R375-R377 PolarHBondContact O-N 3.11Å; R375-T378 WeakPolarHBondContact CA-OG1 3.45Å; R375-T378 PolarHBondContact O-N 3.36Å; R375-T378 VanDerWaalsContact O-N 3.17Å; R375-T378 PolarHBondContact O-OG1 3.42Å; R375-E379 WeakPolarHBondContact O-CG 3.23Å; R375-E379 PolarHBondContact O-N 2.9Å
376	S	85	Confident	85.4	Confident	76 Å²	76	77.4 Å²	77.4	53%	0.531	40%	0.399	S	S	.	.	H	α-helix	trans	-57	-42.8	175.7	177	0	0	0	0	112.2	A372 Q373 E379 L380	A372-S376 PolarHBondContact O-N 3.02Å; Q373-S376 PolarHBondContact O-N 3.41Å; S376-E379 PolarHBondContact O-N 3.44Å; S376-L380 PolarHBondContact O-N 2.88Å
377	R	86	Confident	86.4	Confident	160 Å²	160	76.9 Å²	76.9	60%	0.604	39%	0.39	S	S	*	.	H	α-helix	trans	-65.4	-40.9	177.9	-163.3	176.3	76.8	127.6	0.8	112.4	Q373 E374 R375 L380 Q381	Q373-R377 WeakPolarHBondContact O-CB 3.49Å; Q373-R377 PolarHBondContact O-N 3.42Å; E374-R377 PolarHBondContact O-N 3.29Å; R375-R377 VanDerWaalsContact C-N 3.3Å; R375-R377 PolarHBondContact O-N 3.11Å; R377-L380 PolarHBondContact O-N 2.88Å; R377-Q381 WeakPolarHBondContact O-CG 3.46Å; R377-Q381 PolarHBondContact O-N 3.28Å
378	T	86.7	Confident	87.3	Confident	14 Å²	14	72.1 Å²	72.1	9%	0.086	36%	0.36	C	S	.	.	H	α-helix	trans	-66.9	-38.6	177.2	53.3	0	0	0	0	112.1	A369 E374 R375 Q381 R382	A369-T378 HydrophobicContact CB-CG2 4.22Å; E374-T378 WeakPolarHBondContact O-CG2 3.27Å; E374-T378 PolarHBondContact O-N 3.16Å; E374-T378 PolarHBondContact O-OG1 2.94Å; R375-T378 WeakPolarHBondContact CA-OG1 3.45Å; R375-T378 PolarHBondContact O-N 3.36Å; R375-T378 VanDerWaalsContact O-N 3.17Å; R375-T378 PolarHBondContact O-OG1 3.42Å; T378-Q381 PolarHBondContact O-N 2.93Å; T378-R382 WeakPolarHBondContact O-CB 3.4Å; T378-R382 PolarHBondContact O-N 2.97Å
379	E	86.5	Confident	88	Confident	125 Å²	125	70 Å²	70	58%	0.584	34%	0.337	S	S	*	.	H	α-helix	trans	-63.9	-42	174.5	-74.1	173.9	178.3	0	0	112	R375 S376 R382 Y383	R375-E379 WeakPolarHBondContact O-CG 3.23Å; R375-E379 PolarHBondContact O-N 2.9Å; S376-E379 PolarHBondContact O-N 3.44Å; E379-R382 PolarHBondContact O-N 3.22Å; E379-Y383 PolarHBondContact O-N 3.4Å
380	L	86.9	Confident	88.8	Confident	83 Å²	83	70.3 Å²	70.3	44%	0.435	34%	0.335	S	S	.	.	H	α-helix	trans	-63.5	-45.7	175.2	-178.4	62.2	0	0	0	111.4	S376 R377 R382 Y383 V384	S376-L380 PolarHBondContact O-N 2.88Å; R377-L380 PolarHBondContact O-N 2.88Å; L380-R382 VanDerWaalsContact C-N 3.29Å; L380-R382 PolarHBondContact O-N 3.32Å; L380-Y383 HydrophobicContact CD1-CD1 4.35Å; L380-Y383 WeakPolarHBondContact O-CB 3.23Å; L380-Y383 PolarHBondContact O-N 2.8Å; L380-V384 HydrophobicContact CD1-CG2 4.46Å; L380-V384 VanDerWaalsContact O-CG2 3.31Å; L380-V384 WeakPolarHBondContact O-CG2 3.24Å; L380-V384 PolarHBondContact O-N 2.92Å
381	Q	88.2	Confident	89.3	Confident	78 Å²	78	60.2 Å²	60.2	36%	0.364	30%	0.299	S	S	.	.	H	α-helix	trans	-60.2	-41.3	176.5	-76	177.5	-16.6	0	0	112	R377 T378 V384 H385	R377-Q381 WeakPolarHBondContact O-CG 3.46Å; R377-Q381 PolarHBondContact O-N 3.28Å; T378-Q381 PolarHBondContact O-N 2.93Å; Q381-V384 PolarHBondContact O-N 3.43Å; Q381-H385 PolarHBondContact O-N 3.19Å
382	R	91.4	Very high	89.5	Confident	14 Å²	14	57.4 Å²	57.4	5%	0.053	28%	0.281	C	S	.	.	H	α-helix	trans	-62.4	-48	174.8	-171.8	171.6	176.6	-75.3	-4.3	110.9	Y361 D363 T378 E379 L380 V384 H385 Y386 A448 Y449	Y361-R382 HydrophobicContact CD1-CB 4.27Å; Y361-R382 HydrophobicContact CD1-CG 3.77Å; Y361-R382 HydrophobicContact CE1-CB 3.72Å; Y361-R382 HydrophobicContact CE1-CG 3.71Å; Y361-R382 HydrophobicContact CE2-CB 4.32Å; Y361-R382 HydrophobicContact CG-CG 4.27Å; D363-R382 IonicContact OD1-NE 3.52Å; T378-R382 WeakPolarHBondContact O-CB 3.4Å; T378-R382 PolarHBondContact O-N 2.97Å; E379-R382 PolarHBondContact O-N 3.22Å; L380-R382 VanDerWaalsContact C-N 3.29Å; L380-R382 PolarHBondContact O-N 3.32Å; R382-V384 VanDerWaalsContact C-N 3.34Å; R382-V384 PolarHBondContact O-N 2.9Å; R382-H385 WeakPolarHBondContact O-CB 3.42Å; R382-H385 PolarHBondContact O-N 3.01Å; R382-Y386 HydrophobicContact CG-CD2 4.01Å; R382-Y386 HydrophobicContact CG-CE2 3.76Å; R382-Y386 VanDerWaalsContact O-CD2 3.23Å; R382-Y386 WeakPolarHBondContact O-CD2 3.32Å; R382-Y386 PolarHBondContact O-N 3.42Å; R382-A448 PolarHBondContact NH2-O 2.66Å; R382-Y449 VanDerWaalsContact NH1-CD2 3.33Å; R382-Y449 PolarHBondContact NH1-O 2.88Å; R382-Y449 PolarHBondContact NH2-O 3Å
383	Y	90.8	Very high	90	Very high	1 Å²	1	54 Å²	54	0%	0.004	25%	0.253	C	S	.	.	H	α-helix	trans	-55.6	-48.4	175	169.6	-109.4	0	0	0	112	W292 K295 D299 E379 L380 H385 Y386 Y387 Y449	W292-Y383 AromaticContact CH2-CD2 3.98Å; W292-Y383 HydrophobicContact CH2-CD2 3.98Å; W292-Y383 AromaticContact CH2-CE2 3.81Å; W292-Y383 HydrophobicContact CH2-CE2 3.81Å; W292-Y383 HydrophobicContact CZ2-CE2 4.45Å; W292-Y383 AromaticContact CZ3-CD2 3.86Å; W292-Y383 HydrophobicContact CZ3-CD2 3.86Å; W292-Y383 AromaticContact CZ3-CE2 3.86Å; W292-Y383 HydrophobicContact CZ3-CE2 3.86Å; K295-Y383 HydrophobicContact CD-CD2 3.97Å; K295-Y383 HydrophobicContact CD-CE2 3.95Å; K295-Y383 VanDerWaalsContact CE-CD2 3.42Å; K295-Y383 HydrophobicContact CG-CD2 4.44Å; K295-Y383 HydrophobicContact CG-CE2 3.94Å; D299-Y383 HydrophobicContact CB-CE1 3.94Å; E379-Y383 PolarHBondContact O-N 3.4Å; L380-Y383 HydrophobicContact CD1-CD1 4.35Å; L380-Y383 WeakPolarHBondContact O-CB 3.23Å; L380-Y383 PolarHBondContact O-N 2.8Å; Y383-H385 VanDerWaalsContact C-N 3.29Å; Y383-H385 PolarHBondContact O-N 3.32Å; Y383-Y386 PolarHBondContact O-N 3.37Å; Y383-Y387 HydrophobicContact CE2-CD2 4.38Å; Y383-Y387 VanDerWaalsContact O-CB 3.24Å; Y383-Y387 WeakPolarHBondContact O-CB 3.4Å; Y383-Y387 PolarHBondContact O-N 2.91Å; Y383-Y387 WeakPolarHBondContact OH-CD2 3.36Å; Y383-Y449 HydrophobicContact CD2-CE2 4.26Å
384	V	90	Very high	90.4	Very high	46 Å²	46	49.2 Å²	49.2	28%	0.279	23%	0.231	S	C	.	.	H	α-helix	trans	-57.2	-41.1	178	165.2	0	0	0	0	111.9	T302 I306 L380 Q381 R382 N388	T302-V384 HydrophobicContact CG2-CG2 4.06Å; I306-V384 HydrophobicContact CD1-CB 4.17Å; I306-V384 HydrophobicContact CD1-CG1 3.72Å; I306-V384 HydrophobicContact CD1-CG2 3.68Å; L380-V384 HydrophobicContact CD1-CG2 4.46Å; L380-V384 VanDerWaalsContact O-CG2 3.31Å; L380-V384 WeakPolarHBondContact O-CG2 3.24Å; L380-V384 PolarHBondContact O-N 2.92Å; Q381-V384 PolarHBondContact O-N 3.43Å; R382-V384 VanDerWaalsContact C-N 3.34Å; R382-V384 PolarHBondContact O-N 2.9Å; V384-N388 VanDerWaalsContact O-CB 3.27Å; V384-N388 WeakPolarHBondContact O-CB 3.41Å; V384-N388 PolarHBondContact O-N 3.39Å
385	H	91.9	Very high	90.7	Very high	26 Å²	26	47 Å²	47	12%	0.12	22%	0.222	C	C	.	.	H	α-helix	trans	-58.9	-50.2	177.3	175.2	97	0	0	0	112.6	N359 R360 Y361 Q381 R382 Y383 R389	N359-H385 PolarHBondContact O-NE2 2.81Å; R360-H385 PolarHBondContact O-CE1 3.41Å; R360-H385 VanDerWaalsContact O-CE1 3.25Å; Y361-H385 HydrophobicContact CD2-CB 3.68Å; Y361-H385 AromaticContact CD2-CG 3.58Å; Y361-H385 AromaticContact CD2-ND1 3.76Å; Y361-H385 HydrophobicContact CE2-CB 4.13Å; Q381-H385 PolarHBondContact O-N 3.19Å; R382-H385 WeakPolarHBondContact O-CB 3.42Å; R382-H385 PolarHBondContact O-N 3.01Å; Y383-H385 VanDerWaalsContact C-N 3.29Å; Y383-H385 PolarHBondContact O-N 3.32Å; H385-R389 PolarHBondContact CE1-NH1 3.4Å; H385-R389 PolarHBondContact CE1-NH2 2.93Å; H385-R389 PolarHBondContact ND1-NH1 3.24Å; H385-R389 PolarHBondContact ND1-NH2 3.03Å; H385-R389 PolarHBondContact NE2-NH1 3.24Å; H385-R389 PolarHBondContact O-NH1 2.67Å
386	Y	94.5	Very high	91.2	Very high	11 Å²	11	40.3 Å²	40.3	4%	0.043	20%	0.197	C	C	.	.	H	α-helix	trans	-74.7	-38	-178.7	-71.7	-79	0	0	0	111.8	Y361 R382 Y383 R389 Y390 Y445 A448 Y449	Y361-Y386 HydrophobicContact CG-CE2 4.46Å; R382-Y386 HydrophobicContact CG-CD2 4.01Å; R382-Y386 HydrophobicContact CG-CE2 3.76Å; R382-Y386 VanDerWaalsContact O-CD2 3.23Å; R382-Y386 WeakPolarHBondContact O-CD2 3.32Å; R382-Y386 PolarHBondContact O-N 3.42Å; Y383-Y386 PolarHBondContact O-N 3.37Å; Y386-R389 PolarHBondContact O-N 3Å; Y386-Y390 WeakPolarHBondContact O-CB 3.29Å; Y386-Y390 PolarHBondContact O-N 3.46Å; Y386-Y445 AromaticContact CD1-CD1 3.93Å; Y386-Y445 HydrophobicContact CD1-CD1 3.93Å; Y386-Y445 WeakPolarHBondContact CD1-O 3.38Å; Y386-Y445 HydrophobicContact CE1-CD1 4.4Å; Y386-A448 HydrophobicContact CD1-CB 4.1Å; Y386-A448 HydrophobicContact CE1-CB 3.49Å; Y386-A448 VanDerWaalsContact CE1-CB 3.49Å; Y386-Y449 AromaticContact CD2-CD2 3.7Å; Y386-Y449 HydrophobicContact CD2-CD2 3.7Å; Y386-Y449 HydrophobicContact CD2-CG 4.41Å; Y386-Y449 HydrophobicContact CE2-CD2 4.48Å; Y386-Y449 HydrophobicContact CG-CD2 4.09Å; Y386-Y449 HydrophobicContact CG-CG 4.45Å
387	Y	92.8	Very high	91.6	Very high	22 Å²	22	37.6 Å²	37.6	9%	0.086	18%	0.176	C	C	.	.	H	α-helix	trans	-63.3	-43.7	177.3	179.4	-95.7	0	0	0	112.1	W292 C296 S303 I306 Y383 R389 Y390 S391	W292-Y387 HydrophobicContact CZ2-CD2 4.09Å; C296-Y387 HydrophobicContact CB-CE2 4.22Å; S303-Y387 VanDerWaalsContact CB-CZ 3.46Å; S303-Y387 WeakPolarHBondContact CB-OH 3.43Å; I306-Y387 HydrophobicContact CD1-CD1 4.5Å; Y383-Y387 HydrophobicContact CE2-CD2 4.38Å; Y383-Y387 VanDerWaalsContact O-CB 3.24Å; Y383-Y387 WeakPolarHBondContact O-CB 3.4Å; Y383-Y387 PolarHBondContact O-N 2.91Å; Y383-Y387 WeakPolarHBondContact OH-CD2 3.36Å; Y387-R389 VanDerWaalsContact C-N 3.27Å; Y387-R389 PolarHBondContact O-N 3.33Å; Y387-Y390 PolarHBondContact O-N 3.38Å; Y387-S391 WeakPolarHBondContact O-CB 3.5Å; Y387-S391 PolarHBondContact O-N 2.74Å; Y387-S391 PolarHBondContact O-OG 2.87Å
388	N	91.3	Very high	91.9	Very high	27 Å²	27	35.5 Å²	35.5	14%	0.144	17%	0.173	C	C	.	.	H	α-helix	trans	-58	-41.5	177.4	-174.2	-88.5	0	0	0	111.6	I306 V384 S391 N392	I306-N388 HydrophobicContact CG2-CB 3.97Å; I306-N388 WeakPolarHBondContact CG2-ND2 3.3Å; V384-N388 VanDerWaalsContact O-CB 3.27Å; V384-N388 WeakPolarHBondContact O-CB 3.41Å; V384-N388 PolarHBondContact O-N 3.39Å; N388-S391 PolarHBondContact O-OG 3.32Å; N388-S391 VanDerWaalsContact O-OG 3.11Å; N388-N392 WeakPolarHBondContact O-CB 3.49Å; N388-N392 PolarHBondContact O-N 2.94Å
389	R	94.6	Very high	92.2	Very high	22 Å²	22	36.8 Å²	36.8	8%	0.083	18%	0.179	C	C	.	.	H	α-helix	trans	-73.3	-43.2	180	-69.9	173.7	178.8	69.7	-2.2	112.6	V343 C358 H385 Y386 Y387 N392 H393 Y445	V343-R389 HydrophobicContact CG1-CG 3.86Å; C358-R389 PolarHBondContact O-NE 3Å; C358-R389 PolarHBondContact O-NH2 3.33Å; H385-R389 PolarHBondContact CE1-NH1 3.4Å; H385-R389 PolarHBondContact CE1-NH2 2.93Å; H385-R389 PolarHBondContact ND1-NH1 3.24Å; H385-R389 PolarHBondContact ND1-NH2 3.03Å; H385-R389 PolarHBondContact NE2-NH1 3.24Å; H385-R389 PolarHBondContact O-NH1 2.67Å; Y386-R389 PolarHBondContact O-N 3Å; Y387-R389 VanDerWaalsContact C-N 3.27Å; Y387-R389 PolarHBondContact O-N 3.33Å; R389-N392 PolarHBondContact O-N 3.37Å; R389-H393 PolarHBondContact O-CD2 2.86Å; R389-H393 VanDerWaalsContact O-CD2 3.26Å; R389-H393 PolarHBondContact O-N 3.13Å; R389-Y445 HydrophobicContact CB-CD1 3.73Å; R389-Y445 HydrophobicContact CB-CD2 3.76Å; R389-Y445 HydrophobicContact CB-CE1 3.76Å; R389-Y445 HydrophobicContact CB-CE2 3.79Å; R389-Y445 HydrophobicContact CB-CG 3.73Å; R389-Y445 VanDerWaalsContact CD-CZ 3.47Å; R389-Y445 HydrophobicContact CG-CD1 4.42Å; R389-Y445 HydrophobicContact CG-CE1 4.04Å
390	Y	94.8	Very high	92.6	Very high	24 Å²	24	30.8 Å²	30.8	9%	0.094	15%	0.151	C	C	.	.	H	α-helix	trans	-54.6	-54.8	171.8	169.1	-93.8	0	0	0	111.6	W292 Y386 Y387 H393 M394 K442 Y443 V446	W292-Y390 HydrophobicContact CZ2-CD1 4.34Å; W292-Y390 HydrophobicContact CZ2-CG 4.11Å; W292-Y390 AromaticContact NE1-CD1 3.63Å; W292-Y390 AromaticContact NE1-CD2 3.69Å; W292-Y390 AromaticContact NE1-CE1 3.74Å; W292-Y390 AromaticContact NE1-CE2 3.78Å; W292-Y390 AromaticContact NE1-CG 3.64Å; W292-Y390 AromaticContact NE1-CZ 3.84Å; Y386-Y390 WeakPolarHBondContact O-CB 3.29Å; Y386-Y390 PolarHBondContact O-N 3.46Å; Y387-Y390 PolarHBondContact O-N 3.38Å; Y390-H393 PolarHBondContact O-N 2.85Å; Y390-M394 HydrophobicContact CE1-SD 4.34Å; Y390-M394 WeakPolarHBondContact O-CB 3.37Å; Y390-M394 PolarHBondContact O-N 2.84Å; Y390-K442 HydrophobicContact CD2-CD 4.09Å; Y390-K442 HydrophobicContact CD2-CG 3.32Å; Y390-K442 WeakPolarHBondContact CD2-O 3.32Å; Y390-K442 HydrophobicContact CE2-CD 3.57Å; Y390-K442 HydrophobicContact CE2-CG 3.29Å; Y390-K442 HydrophobicContact CG-CG 4.14Å; Y390-Y443 HydrophobicContact CE2-CE1 4.45Å; Y390-V446 HydrophobicContact CD2-CG2 3.44Å; Y390-V446 VanDerWaalsContact CD2-CG2 3.44Å; Y390-V446 HydrophobicContact CE2-CG2 3.74Å; Y390-V446 HydrophobicContact CG-CG2 4.39Å
391	S	92.6	Very high	92.8	Very high	11 Å²	11	31 Å²	31	8%	0.077	15%	0.152	C	C	.	.	H	α-helix	trans	-67.3	-37.3	-177.7	56.4	0	0	0	0	112.2	Y387 N388 M394 L395	Y387-S391 WeakPolarHBondContact O-CB 3.5Å; Y387-S391 PolarHBondContact O-N 2.74Å; Y387-S391 PolarHBondContact O-OG 2.87Å; N388-S391 PolarHBondContact O-OG 3.32Å; N388-S391 VanDerWaalsContact O-OG 3.11Å; S391-M394 WeakPolarHBondContact O-CB 3.49Å; S391-M394 PolarHBondContact O-N 2.83Å; S391-L395 WeakPolarHBondContact O-CB 3.44Å; S391-L395 PolarHBondContact O-N 2.95Å
392	N	93.4	Very high	93	Very high	9 Å²	9	32 Å²	32	5%	0.048	16%	0.156	C	C	.	.	H	α-helix	trans	-63.5	-44.3	175.2	-179.8	68.2	0	0	0	112.3	K322 N327 W342 V343 N388 R389 M394 L395 S396	K322-N392 PolarHBondContact NZ-OD1 3.22Å; N327-N392 VanDerWaalsContact CG-ND2 3.33Å; N327-N392 PolarHBondContact ND2-ND2 3Å; N327-N392 VanDerWaalsContact ND2-ND2 3.11Å; N327-N392 PolarHBondContact OD1-ND2 3.39Å; N327-N392 PolarHBondContact OD1-OD1 2.97Å; W342-N392 VanDerWaalsContact CD1-OD1 3.27Å; V343-N392 VanDerWaalsContact CG2-ND2 3.27Å; V343-N392 WeakPolarHBondContact CG2-ND2 3.47Å; N388-N392 WeakPolarHBondContact O-CB 3.49Å; N388-N392 PolarHBondContact O-N 2.94Å; R389-N392 PolarHBondContact O-N 3.37Å; N392-M394 VanDerWaalsContact C-N 3.32Å; N392-M394 PolarHBondContact O-N 2.62Å; N392-L395 PolarHBondContact O-N 3.35Å; N392-S396 WeakPolarHBondContact O-CB 3.49Å; N392-S396 PolarHBondContact O-N 3.29Å; N392-S396 PolarHBondContact O-OG 3.49Å
393	H	95.9	Very high	93.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67.7	-33.3	175	-75.7	-54.4	0	0	0	112.7	R389 Y390 S396 L397 R438 K442 Y445 E468 E472	R389-H393 PolarHBondContact O-CD2 2.86Å; R389-H393 VanDerWaalsContact O-CD2 3.26Å; R389-H393 PolarHBondContact O-N 3.13Å; Y390-H393 PolarHBondContact O-N 2.85Å; H393-S396 PolarHBondContact O-N 3.34Å; H393-L397 WeakPolarHBondContact O-CB 3.39Å; H393-L397 PolarHBondContact O-N 2.81Å; H393-R438 PolarHBondContact CE1-NH1 3.06Å; H393-R438 PolarHBondContact ND1-NH1 3.36Å; H393-K442 HydrophobicContact CB-CB 4.07Å; H393-Y445 AromaticContact CD2-CD2 3.81Å; H393-Y445 AromaticContact CD2-CE2 3.59Å; H393-Y445 AromaticContact NE2-CE2 3.51Å; H393-E468 IonicContact NE2-OE2 2.93Å; H393-E472 IonicContact CE1-OE1 2.82Å
394	M	93.6	Very high	93.2	Very high	64 Å²	64	35.2 Å²	35.2	32%	0.315	17%	0.169	S	C	.	.	H	α-helix	trans	-61.3	-47.3	171.9	-173.9	176.6	69.6	0	0	111.4	Y390 S391 N392 L397 Q398 K442	Y390-M394 HydrophobicContact CE1-SD 4.34Å; Y390-M394 WeakPolarHBondContact O-CB 3.37Å; Y390-M394 PolarHBondContact O-N 2.84Å; S391-M394 WeakPolarHBondContact O-CB 3.49Å; S391-M394 PolarHBondContact O-N 2.83Å; N392-M394 VanDerWaalsContact C-N 3.32Å; N392-M394 PolarHBondContact O-N 2.62Å; M394-L397 PolarHBondContact O-N 3.02Å; M394-Q398 WeakPolarHBondContact O-CG 3.43Å; M394-Q398 PolarHBondContact O-N 3.23Å; M394-Q398 VanDerWaalsContact O-N 3.1Å; M394-K442 HydrophobicContact CB-CD 3.8Å; M394-K442 HydrophobicContact CG-CD 4.21Å
395	L	92.5	Very high	93.2	Very high	34 Å²	34	35.8 Å²	35.8	18%	0.178	18%	0.178	C	C	.	.	H	α-helix	trans	-64.1	-43.7	175.6	179.2	65.9	0	0	0	111.4	N309 K322 S391 N392 L397 Q398 L399	N309-L395 WeakPolarHBondContact OD1-CD2 3.46Å; K322-L395 HydrophobicContact CD-CD2 4.25Å; S391-L395 WeakPolarHBondContact O-CB 3.44Å; S391-L395 PolarHBondContact O-N 2.95Å; N392-L395 PolarHBondContact O-N 3.35Å; L395-L397 VanDerWaalsContact C-N 3.32Å; L395-L397 PolarHBondContact O-N 3.46Å; L395-Q398 WeakPolarHBondContact O-CB 3.37Å; L395-Q398 PolarHBondContact O-N 2.88Å; L395-Q398 VanDerWaalsContact O-N 3.12Å; L395-L399 HydrophobicContact CD1-CD1 4.36Å; L395-L399 HydrophobicContact CD1-CG 4.33Å; L395-L399 HydrophobicContact CG-CD1 4.04Å; L395-L399 HydrophobicContact CG-CG 4.41Å; L395-L399 WeakPolarHBondContact O-CG 3.48Å; L395-L399 PolarHBondContact O-N 3.31Å
396	S	95.3	Very high	93.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.1	-44.5	176.7	-73.9	0	0	0	0	111.9	K322 G325 N392 H393 Q398 L399 E400	K322-S396 PolarHBondContact NZ-OG 3.02Å; G325-S396 VanDerWaalsContact O-CB 3.23Å; G325-S396 WeakPolarHBondContact O-CB 3.42Å; G325-S396 PolarHBondContact O-OG 3.41Å; N392-S396 WeakPolarHBondContact O-CB 3.49Å; N392-S396 PolarHBondContact O-N 3.29Å; N392-S396 PolarHBondContact O-OG 3.49Å; H393-S396 PolarHBondContact O-N 3.34Å; S396-Q398 VanDerWaalsContact C-N 3.31Å; S396-Q398 PolarHBondContact O-N 3.25Å; S396-L399 PolarHBondContact O-N 3.48Å; S396-E400 WeakPolarHBondContact O-CB 3.5Å; S396-E400 VanDerWaalsContact O-CG 3.3Å; S396-E400 WeakPolarHBondContact O-CG 3.47Å; S396-E400 PolarHBondContact O-N 2.96Å
397	L	94.6	Very high	92.8	Very high	19 Å²	19	37.8 Å²	37.8	10%	0.099	19%	0.194	C	C	.	.	H	α-helix	trans	-60.9	-40.1	175.6	178.8	61.7	0	0	0	111.9	H393 M394 L395 N401 R438 R439	H393-L397 WeakPolarHBondContact O-CB 3.39Å; H393-L397 PolarHBondContact O-N 2.81Å; M394-L397 PolarHBondContact O-N 3.02Å; L395-L397 VanDerWaalsContact C-N 3.32Å; L395-L397 PolarHBondContact O-N 3.46Å; L397-N401 PolarHBondContact O-N 2.76Å; L397-R438 HydrophobicContact CB-CB 4.24Å; L397-R438 HydrophobicContact CD1-CB 4.04Å; L397-R439 HydrophobicContact CD2-CB 4.42Å
398	Q	92.7	Very high	92.6	Very high	115 Å²	115	42.7 Å²	42.7	54%	0.537	22%	0.216	S	C	.	.	H	α-helix	trans	-64.4	-44.6	175.6	-72.4	174.9	-18.9	0	0	112	M394 L395 S396 N401	M394-Q398 WeakPolarHBondContact O-CG 3.43Å; M394-Q398 PolarHBondContact O-N 3.23Å; M394-Q398 VanDerWaalsContact O-N 3.1Å; L395-Q398 WeakPolarHBondContact O-CB 3.37Å; L395-Q398 PolarHBondContact O-N 2.88Å; L395-Q398 VanDerWaalsContact O-N 3.12Å; S396-Q398 VanDerWaalsContact C-N 3.31Å; S396-Q398 PolarHBondContact O-N 3.25Å; Q398-N401 WeakPolarHBondContact O-CB 3.42Å; Q398-N401 PolarHBondContact O-N 2.97Å
399	L	93.2	Very high	92.5	Very high	41 Å²	41	45.5 Å²	45.5	22%	0.215	23%	0.231	C	C	.	.	H	α-helix	trans	-67.3	-36.5	178.7	-68.1	173.8	0	0	0	111.8	K322 G324 L395 S396 N401 K402	K322-L399 HydrophobicContact CD-CD1 4.15Å; K322-L399 HydrophobicContact CG-CD1 4.24Å; G324-L399 WeakPolarHBondContact O-CD1 3.21Å; L395-L399 HydrophobicContact CD1-CD1 4.36Å; L395-L399 HydrophobicContact CD1-CG 4.33Å; L395-L399 HydrophobicContact CG-CD1 4.04Å; L395-L399 HydrophobicContact CG-CG 4.41Å; L395-L399 WeakPolarHBondContact O-CG 3.48Å; L395-L399 PolarHBondContact O-N 3.31Å; S396-L399 PolarHBondContact O-N 3.48Å; L399-N401 VanDerWaalsContact C-N 3.28Å; L399-N401 PolarHBondContact O-N 2.98Å; L399-K402 VanDerWaalsContact O-CD 3.24Å; L399-K402 WeakPolarHBondContact O-CD 3.42Å; L399-K402 WeakPolarHBondContact O-CE 3.44Å; L399-K402 WeakPolarHBondContact O-CG 3.45Å; L399-K402 PolarHBondContact O-N 2.93Å
400	E	94.3	Very high	92	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-70.9	-18.8	178.7	-77.9	160.2	174.7	0	0	112.9	S396 K402 L403 L434 R438 S475	S396-E400 WeakPolarHBondContact O-CB 3.5Å; S396-E400 VanDerWaalsContact O-CG 3.3Å; S396-E400 WeakPolarHBondContact O-CG 3.47Å; S396-E400 PolarHBondContact O-N 2.96Å; E400-K402 PolarHBondContact O-N 3.24Å; E400-K402 VanDerWaalsContact O-N 3.08Å; E400-L403 HydrophobicContact CB-CD1 4.09Å; E400-L403 HydrophobicContact CG-CD1 4Å; E400-L403 WeakPolarHBondContact O-CB 3.18Å; E400-L403 WeakPolarHBondContact O-CG 3.27Å; E400-L403 PolarHBondContact O-N 3.45Å; E400-L434 HydrophobicContact CG-CD2 4.16Å; E400-R438 VanDerWaalsContact CD-NE 3.33Å; E400-R438 IonicContact OE1-CZ 3.85Å; E400-R438 IonicContact OE1-NE 3.72Å; E400-R438 PolarHBondContact OE1-NE 2.98Å; E400-R438 IonicContact OE1-NH2 3.72Å; E400-R438 PolarHBondContact OE1-NH2 2.94Å; E400-R438 VanDerWaalsContact OE2-CD 3.31Å; E400-R438 WeakPolarHBondContact OE2-CD 3.48Å; E400-R438 WeakPolarHBondContact OE2-CG 3.15Å; E400-R438 IonicContact OE2-NE 2.98Å; E400-R438 PolarHBondContact OE2-NE 2.86Å; E400-S475 WeakPolarHBondContact OE1-CB 3.4Å; E400-S475 PolarHBondContact OE1-OG 3.29Å
401	N	91.4	Very high	91.6	Very high	86 Å²	86	46.8 Å²	46.8	46%	0.46	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-27.5	174.1	-77.8	-37.7	0	0	0	113	L397 Q398 L399 L403 Y404	L397-N401 PolarHBondContact O-N 2.76Å; Q398-N401 WeakPolarHBondContact O-CB 3.42Å; Q398-N401 PolarHBondContact O-N 2.97Å; L399-N401 VanDerWaalsContact C-N 3.28Å; L399-N401 PolarHBondContact O-N 2.98Å; N401-L403 PolarHBondContact O-N 3.27Å; N401-Y404 WeakPolarHBondContact O-CD2 3.12Å; N401-Y404 PolarHBondContact O-N 2.9Å
402	K	92	Very high	91.3	Very high	99 Å²	99	51 Å²	51	43%	0.43	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-24.2	175	79.3	-165.9	172.1	159.9	0	112.5	D323 L399 E400 Y404 A405 T406	D323-K402 PolarHBondContact O-NZ 2.92Å; L399-K402 VanDerWaalsContact O-CD 3.24Å; L399-K402 WeakPolarHBondContact O-CD 3.42Å; L399-K402 WeakPolarHBondContact O-CE 3.44Å; L399-K402 WeakPolarHBondContact O-CG 3.45Å; L399-K402 PolarHBondContact O-N 2.93Å; E400-K402 PolarHBondContact O-N 3.24Å; E400-K402 VanDerWaalsContact O-N 3.08Å; K402-Y404 PolarHBondContact O-N 2.86Å; K402-A405 PolarHBondContact O-N 3.32Å; K402-T406 PolarHBondContact O-N 3.22Å; K402-T406 PolarHBondContact O-OG1 2.93Å
403	L	92.9	Very high	90.8	Very high	5 Å²	5	57.7 Å²	57.7	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-62.8	-27.2	179.3	-65.6	175.6	0	0	0	111.9	E400 N401 A405 T406 V407 V431 L434 L478 E479	E400-L403 HydrophobicContact CB-CD1 4.09Å; E400-L403 HydrophobicContact CG-CD1 4Å; E400-L403 WeakPolarHBondContact O-CB 3.18Å; E400-L403 WeakPolarHBondContact O-CG 3.27Å; E400-L403 PolarHBondContact O-N 3.45Å; N401-L403 PolarHBondContact O-N 3.27Å; L403-A405 VanDerWaalsContact C-N 3.28Å; L403-A405 PolarHBondContact O-N 3.44Å; L403-T406 PolarHBondContact O-N 3.39Å; L403-V407 VanDerWaalsContact O-CB 3.22Å; L403-V407 WeakPolarHBondContact O-CB 3.35Å; L403-V407 WeakPolarHBondContact O-CG2 3.09Å; L403-V407 PolarHBondContact O-N 2.87Å; L403-V431 HydrophobicContact CB-CG1 4.09Å; L403-V431 HydrophobicContact CB-CG2 4.18Å; L403-L434 HydrophobicContact CD1-CD2 3.84Å; L403-L478 HydrophobicContact CD1-CB 4.3Å; L403-E479 HydrophobicContact CD1-CG 4.35Å; L403-E479 HydrophobicContact CD2-CG 4Å
404	Y	92.4	Very high	90.2	Very high	78 Å²	78	58.2 Å²	58.2	31%	0.306	29%	0.287	S	S	.	.	H	α-helix	trans	-58.6	-40.4	173.4	-77.9	-70.4	0	0	0	112.3	N401 K402 K408 V431 D432	N401-Y404 WeakPolarHBondContact O-CD2 3.12Å; N401-Y404 PolarHBondContact O-N 2.9Å; K402-Y404 PolarHBondContact O-N 2.86Å; Y404-K408 VanDerWaalsContact O-CB 3.3Å; Y404-K408 WeakPolarHBondContact O-CB 3.15Å; Y404-K408 PolarHBondContact O-N 2.93Å; Y404-V431 HydrophobicContact CD1-CB 4.37Å; Y404-V431 HydrophobicContact CD1-CG1 3.87Å; Y404-V431 HydrophobicContact CD2-CG1 3.91Å; Y404-V431 HydrophobicContact CE1-CB 4.1Å; Y404-V431 HydrophobicContact CE1-CG1 3.7Å; Y404-V431 HydrophobicContact CE2-CG1 3.75Å; Y404-V431 HydrophobicContact CG-CG1 3.98Å; Y404-D432 WeakPolarHBondContact CE1-OD1 3.41Å; Y404-D432 PolarHBondContact OH-OD1 3.13Å
405	A	91.7	Very high	89.6	Confident	58 Å²	58	58.2 Å²	58.2	48%	0.479	29%	0.287	S	S	.	.	H	α-helix	trans	-71.1	-47.6	176.4	0	0	0	0	0	111	K402 L403 V407 K408 D409	K402-A405 PolarHBondContact O-N 3.32Å; L403-A405 VanDerWaalsContact C-N 3.28Å; L403-A405 PolarHBondContact O-N 3.44Å; A405-V407 VanDerWaalsContact C-N 3.33Å; A405-V407 PolarHBondContact O-N 3.45Å; A405-K408 WeakPolarHBondContact O-CB 3.38Å; A405-K408 PolarHBondContact O-N 2.69Å; A405-K408 VanDerWaalsContact O-N 3.16Å; A405-D409 PolarHBondContact O-N 3.25Å
406	T	89.3	Confident	89	Confident	73 Å²	73	61.6 Å²	61.6	45%	0.448	31%	0.313	S	S	.	.	H	α-helix	trans	-59.1	-43.3	178.9	-52.1	0	0	0	0	112.3	K402 L403 K410	K402-T406 PolarHBondContact O-N 3.22Å; K402-T406 PolarHBondContact O-OG1 2.93Å; L403-T406 PolarHBondContact O-N 3.39Å; T406-K410 WeakPolarHBondContact O-CB 3.43Å; T406-K410 PolarHBondContact O-N 3.39Å
407	V	87.3	Confident	88	Confident	7 Å²	7	64 Å²	64	4%	0.042	34%	0.337	C	S	.	.	H	α-helix	trans	-67.2	-40.8	176.9	159.5	0	0	0	0	111.1	L403 A405 D409 K410 M411 L427 V431	L403-V407 VanDerWaalsContact O-CB 3.22Å; L403-V407 WeakPolarHBondContact O-CB 3.35Å; L403-V407 WeakPolarHBondContact O-CG2 3.09Å; L403-V407 PolarHBondContact O-N 2.87Å; A405-V407 VanDerWaalsContact C-N 3.33Å; A405-V407 PolarHBondContact O-N 3.45Å; V407-D409 PolarHBondContact O-N 3.25Å; V407-K410 PolarHBondContact O-N 3.09Å; V407-M411 HydrophobicContact CG1-CG 4.05Å; V407-M411 HydrophobicContact CG1-SD 3.63Å; V407-M411 WeakPolarHBondContact O-CB 3.49Å; V407-M411 WeakPolarHBondContact O-CG 3.49Å; V407-M411 PolarHBondContact O-N 3.43Å; V407-L427 HydrophobicContact CG1-CB 3.48Å; V407-L427 VanDerWaalsContact CG1-CB 3.48Å; V407-L427 HydrophobicContact CG2-CB 4.48Å; V407-V431 HydrophobicContact CB-CG2 4.19Å; V407-V431 HydrophobicContact CG2-CG2 3.58Å
408	K	89.3	Confident	87	Confident	125 Å²	125	72.5 Å²	72.5	54%	0.543	38%	0.377	S	S	.	.	H	α-helix	trans	-58.1	-49.2	175.7	-174.8	-174.3	173.8	-165.6	0	111.4	Y404 A405 K410 M411 E412	Y404-K408 VanDerWaalsContact O-CB 3.3Å; Y404-K408 WeakPolarHBondContact O-CB 3.15Å; Y404-K408 PolarHBondContact O-N 2.93Å; A405-K408 WeakPolarHBondContact O-CB 3.38Å; A405-K408 PolarHBondContact O-N 2.69Å; A405-K408 VanDerWaalsContact O-N 3.16Å; K408-K410 VanDerWaalsContact C-N 3.29Å; K408-K410 PolarHBondContact O-N 2.91Å; K408-M411 WeakPolarHBondContact O-CB 3.36Å; K408-M411 PolarHBondContact O-N 3.24Å; K408-E412 VanDerWaalsContact CE-OE1 3.26Å; K408-E412 WeakPolarHBondContact CE-OE1 3.4Å; K408-E412 WeakPolarHBondContact O-CG 3.42Å; K408-E412 PolarHBondContact O-N 3.11Å
409	D	88.1	Confident	86.1	Confident	86 Å²	86	68.5 Å²	68.5	46%	0.46	36%	0.358	S	S	.	.	H	α-helix	trans	-61.3	-38.9	178.1	-68.5	-3.5	0	0	0	111.8	A405 V407 K413	A405-D409 PolarHBondContact O-N 3.25Å; V407-D409 PolarHBondContact O-N 3.25Å; D409-K413 WeakPolarHBondContact O-CG 3.31Å; D409-K413 PolarHBondContact O-N 3.12Å; D409-K413 VanDerWaalsContact O-N 3.09Å
410	K	83.9	Confident	85.4	Confident	56 Å²	56	69.2 Å²	69.2	24%	0.243	37%	0.367	C	S	.	.	H	α-helix	trans	-68.1	-41.1	176.4	-170.6	73.1	174	-163.9	0	111.5	T406 V407 K408 E412 K413 I414 L427 I482	T406-K410 WeakPolarHBondContact O-CB 3.43Å; T406-K410 PolarHBondContact O-N 3.39Å; V407-K410 PolarHBondContact O-N 3.09Å; K408-K410 VanDerWaalsContact C-N 3.29Å; K408-K410 PolarHBondContact O-N 2.91Å; K410-E412 VanDerWaalsContact C-N 3.32Å; K410-E412 PolarHBondContact O-N 2.51Å; K410-K413 PolarHBondContact O-N 3.01Å; K410-I414 HydrophobicContact CG-CD1 3.94Å; K410-I414 HydrophobicContact CG-CG1 4.48Å; K410-I414 VanDerWaalsContact O-CG1 3.24Å; K410-I414 WeakPolarHBondContact O-CG1 3.43Å; K410-I414 PolarHBondContact O-N 3.26Å; K410-L427 HydrophobicContact CG-CD1 4.3Å; K410-I482 PolarHBondContact NZ-O 3.09Å
411	M	86.6	Confident	84.5	Confident	17 Å²	17	76.9 Å²	76.9	8%	0.084	40%	0.396	C	S	.	.	H	α-helix	trans	-59.5	-43.7	175.6	-72.7	170.1	68.2	0	0	110.9	V407 K408 I414 Q415 V424 L427 R428	V407-M411 HydrophobicContact CG1-CG 4.05Å; V407-M411 HydrophobicContact CG1-SD 3.63Å; V407-M411 WeakPolarHBondContact O-CB 3.49Å; V407-M411 WeakPolarHBondContact O-CG 3.49Å; V407-M411 PolarHBondContact O-N 3.43Å; K408-M411 WeakPolarHBondContact O-CB 3.36Å; K408-M411 PolarHBondContact O-N 3.24Å; M411-I414 PolarHBondContact O-N 2.88Å; M411-Q415 WeakPolarHBondContact O-CB 3.41Å; M411-Q415 VanDerWaalsContact O-CG 3.26Å; M411-Q415 WeakPolarHBondContact O-CG 3.42Å; M411-Q415 PolarHBondContact O-N 2.9Å; M411-V424 HydrophobicContact CB-CB 4.26Å; M411-V424 HydrophobicContact CB-CG2 4.12Å; M411-V424 HydrophobicContact CE-CB 4.32Å; M411-V424 HydrophobicContact CE-CG2 3.77Å; M411-V424 HydrophobicContact CG-CB 4.1Å; M411-V424 HydrophobicContact CG-CG2 4.28Å; M411-L427 HydrophobicContact CG-CB 4.11Å; M411-L427 HydrophobicContact CG-CD1 3.85Å; M411-L427 HydrophobicContact SD-CB 4.36Å; M411-R428 HydrophobicContact SD-CB 4.15Å
412	E	87	Confident	83.8	Confident	100 Å²	100	77.8 Å²	77.8	47%	0.467	41%	0.405	S	S	.	.	H	α-helix	trans	-63.3	-42.3	176.5	-70.3	175.1	-173.6	0	0	111.9	K408 K410 I414 Q415 S416	K408-E412 VanDerWaalsContact CE-OE1 3.26Å; K408-E412 WeakPolarHBondContact CE-OE1 3.4Å; K408-E412 WeakPolarHBondContact O-CG 3.42Å; K408-E412 PolarHBondContact O-N 3.11Å; K410-E412 VanDerWaalsContact C-N 3.32Å; K410-E412 PolarHBondContact O-N 2.51Å; E412-I414 PolarHBondContact O-N 3.33Å; E412-Q415 PolarHBondContact O-N 2.88Å; E412-S416 PolarHBondContact O-N 3.5Å; E412-S416 VanDerWaalsContact O-N 3.11Å
413	K	83.8	Confident	83.2	Confident	149 Å²	149	76.9 Å²	76.9	65%	0.648	40%	0.402	S	S	*	.	H	α-helix	trans	-62.3	-42.2	174.3	-72.3	172.4	-175.2	173.9	0	112.4	D409 K410 S416	D409-K413 WeakPolarHBondContact O-CG 3.31Å; D409-K413 PolarHBondContact O-N 3.12Å; D409-K413 VanDerWaalsContact O-N 3.09Å; K410-K413 PolarHBondContact O-N 3.01Å; K413-S416 PolarHBondContact O-N 3.29Å; K413-S416 PolarHBondContact O-OG 3.46Å
414	I	81.4	Confident	82.7	Confident	10 Å²	10	76.6 Å²	76.6	5%	0.051	40%	0.401	C	S	.	.	H	α-helix	trans	-68.6	-37.3	178.7	-65.2	170.9	0	0	0	110.9	K410 M411 E412 S416 G417 M419 V424 L427 L487 L490	K410-I414 HydrophobicContact CG-CD1 3.94Å; K410-I414 HydrophobicContact CG-CG1 4.48Å; K410-I414 VanDerWaalsContact O-CG1 3.24Å; K410-I414 WeakPolarHBondContact O-CG1 3.43Å; K410-I414 PolarHBondContact O-N 3.26Å; M411-I414 PolarHBondContact O-N 2.88Å; E412-I414 PolarHBondContact O-N 3.33Å; I414-S416 VanDerWaalsContact C-N 3.28Å; I414-S416 PolarHBondContact O-N 2.82Å; I414-G417 PolarHBondContact O-N 3.19Å; I414-M419 HydrophobicContact CG2-CB 4.01Å; I414-M419 HydrophobicContact CG2-CG 4.19Å; I414-M419 HydrophobicContact CG2-SD 3.6Å; I414-M419 VanDerWaalsContact CG2-SD 3.6Å; I414-V424 HydrophobicContact CB-CG1 4.02Å; I414-V424 HydrophobicContact CG2-CG1 3.57Å; I414-L427 HydrophobicContact CD1-CD1 3.95Å; I414-L487 HydrophobicContact CB-CD2 4.41Å; I414-L487 HydrophobicContact CD1-CD2 3.88Å; I414-L487 HydrophobicContact CG1-CD2 3.68Å; I414-L487 HydrophobicContact CG2-CD1 4.3Å; I414-L487 HydrophobicContact CG2-CD2 3.95Å; I414-L490 HydrophobicContact CD1-CD2 4.36Å
415	Q	81.5	Confident	82.5	Confident	64 Å²	64	75.4 Å²	75.4	30%	0.299	40%	0.398	S	S	.	.	H	α-helix	trans	-64.7	-29.6	175.5	-79.2	174.1	3.1	0	0	113.4	M411 E412 G417 V424	M411-Q415 WeakPolarHBondContact O-CB 3.41Å; M411-Q415 VanDerWaalsContact O-CG 3.26Å; M411-Q415 WeakPolarHBondContact O-CG 3.42Å; M411-Q415 PolarHBondContact O-N 2.9Å; E412-Q415 PolarHBondContact O-N 2.88Å; Q415-G417 PolarHBondContact O-N 2.94Å; Q415-V424 HydrophobicContact CG-CG1 4.2Å; Q415-V424 HydrophobicContact CG-CG2 3.82Å
416	S	79.4	Confident	82.4	Confident	106 Å²	106	73.2 Å²	73.2	74%	0.741	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-11.7	173.4	74	0	0	0	0	113.5	E412 K413 I414	E412-S416 PolarHBondContact O-N 3.5Å; E412-S416 VanDerWaalsContact O-N 3.11Å; K413-S416 PolarHBondContact O-N 3.29Å; K413-S416 PolarHBondContact O-OG 3.46Å; I414-S416 VanDerWaalsContact C-N 3.28Å; I414-S416 PolarHBondContact O-N 2.82Å
417	G	74.9	Confident	82.5	Confident	49 Å²	49	69.8 Å²	69.8	51%	0.505	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-138.8	169	0	0	0	0	0	112.7	I414 Q415	I414-G417 PolarHBondContact O-N 3.19Å; Q415-G417 PolarHBondContact O-N 2.94Å
418	E	73.4	Confident	82.7	Confident	199 Å²	199	75.6 Å²	75.6	93%	0.93	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-2.2	-172.3	-65.2	-176.3	159.3	0	0	114.8
419	M	73.5	Confident	82.9	Confident	30 Å²	30	74 Å²	74	15%	0.148	37%	0.37	C	S	.	.			trans	-96.5	136	-174.5	-68.4	-176.4	72.3	0	0	113.2	I414 E423 V424 F426 L487 K491	I414-M419 HydrophobicContact CG2-CB 4.01Å; I414-M419 HydrophobicContact CG2-CG 4.19Å; I414-M419 HydrophobicContact CG2-SD 3.6Å; I414-M419 VanDerWaalsContact CG2-SD 3.6Å; M419-E423 HydrophobicContact CB-CB 4.33Å; M419-E423 HydrophobicContact CE-CB 3.47Å; M419-E423 VanDerWaalsContact CE-CB 3.47Å; M419-E423 VanDerWaalsContact CE-O 3.31Å; M419-E423 WeakPolarHBondContact CE-O 3.27Å; M419-V424 HydrophobicContact CB-CG1 4.21Å; M419-F426 HydrophobicContact CE-CE1 4.43Å; M419-L487 HydrophobicContact SD-CB 4.36Å; M419-L487 HydrophobicContact SD-CD1 4.4Å; M419-K491 HydrophobicContact CE-CD 4.31Å
420	S	79.9	Confident	83.3	Confident	57 Å²	57	69.9 Å²	69.9	40%	0.399	35%	0.348	S	S	.	.			trans	-72.9	163.1	175.3	69.5	0	0	0	0	113	V422 E423 V424	S420-V422 PolarHBondContact O-N 3.32Å; S420-E423 WeakPolarHBondContact CB-OE2 3.18Å; S420-E423 PolarHBondContact N-OE2 3.47Å; S420-E423 PolarHBondContact O-N 2.86Å; S420-E423 VanDerWaalsContact OG-CG 3.3Å; S420-E423 WeakPolarHBondContact OG-CG 3.42Å; S420-E423 PolarHBondContact OG-OE2 3.23Å; S420-V424 PolarHBondContact O-N 3.42Å
421	W	74.7	Confident	83.8	Confident	160 Å²	160	67.2 Å²	67.2	61%	0.606	34%	0.337	S	S	*	.	H	α-helix	trans	-55	-36.8	177	-179.5	94.8	0	0	0	113.4	E423 V424 Q425	W421-E423 VanDerWaalsContact C-N 3.32Å; W421-V424 VanDerWaalsContact O-CG2 3.25Å; W421-V424 WeakPolarHBondContact O-CG2 3.47Å; W421-Q425 HydrophobicContact CE3-CG 4.23Å; W421-Q425 HydrophobicContact CH2-CG 4.24Å; W421-Q425 VanDerWaalsContact CH2-NE2 3.33Å; W421-Q425 HydrophobicContact CZ3-CG 4.04Å
422	V	77.8	Confident	84.2	Confident	106 Å²	106	69.2 Å²	69.2	64%	0.642	35%	0.348	S	S	*	.	H	α-helix	trans	-66.3	-38.6	178.5	179.4	0	0	0	0	110.6	S420 V424 Q425	S420-V422 PolarHBondContact O-N 3.32Å; V422-V424 VanDerWaalsContact C-N 3.27Å; V422-V424 PolarHBondContact O-N 3.33Å; V422-Q425 WeakPolarHBondContact O-CB 3.17Å; V422-Q425 PolarHBondContact O-N 2.93Å
423	E	78.5	Confident	84.7	Confident	79 Å²	79	64.8 Å²	64.8	37%	0.369	33%	0.328	S	S	.	.	H	α-helix	trans	-75.3	-15.4	-174.7	-67.4	171.1	121.3	0	0	113.8	M419 S420 W421 F426	M419-E423 HydrophobicContact CB-CB 4.33Å; M419-E423 HydrophobicContact CE-CB 3.47Å; M419-E423 VanDerWaalsContact CE-CB 3.47Å; M419-E423 VanDerWaalsContact CE-O 3.31Å; M419-E423 WeakPolarHBondContact CE-O 3.27Å; S420-E423 WeakPolarHBondContact CB-OE2 3.18Å; S420-E423 PolarHBondContact N-OE2 3.47Å; S420-E423 PolarHBondContact O-N 2.86Å; S420-E423 VanDerWaalsContact OG-CG 3.3Å; S420-E423 WeakPolarHBondContact OG-CG 3.42Å; S420-E423 PolarHBondContact OG-OE2 3.23Å; W421-E423 VanDerWaalsContact C-N 3.32Å; E423-F426 WeakPolarHBondContact O-CD1 3.4Å; E423-F426 VanDerWaalsContact O-CE1 3.26Å; E423-F426 WeakPolarHBondContact O-CE1 3.47Å
424	V	82.8	Confident	85.3	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-96.2	-8.7	175.5	-61.5	0	0	0	0	113.7	M411 I414 Q415 M419 S420 W421 V422 F426 L427	M411-V424 HydrophobicContact CB-CB 4.26Å; M411-V424 HydrophobicContact CB-CG2 4.12Å; M411-V424 HydrophobicContact CE-CB 4.32Å; M411-V424 HydrophobicContact CE-CG2 3.77Å; M411-V424 HydrophobicContact CG-CB 4.1Å; M411-V424 HydrophobicContact CG-CG2 4.28Å; I414-V424 HydrophobicContact CB-CG1 4.02Å; I414-V424 HydrophobicContact CG2-CG1 3.57Å; Q415-V424 HydrophobicContact CG-CG1 4.2Å; Q415-V424 HydrophobicContact CG-CG2 3.82Å; M419-V424 HydrophobicContact CB-CG1 4.21Å; S420-V424 PolarHBondContact O-N 3.42Å; W421-V424 VanDerWaalsContact O-CG2 3.25Å; W421-V424 WeakPolarHBondContact O-CG2 3.47Å; V422-V424 VanDerWaalsContact C-N 3.27Å; V422-V424 PolarHBondContact O-N 3.33Å; V424-F426 PolarHBondContact O-N 3.41Å; V424-L427 PolarHBondContact O-N 3.1Å
425	Q	86.7	Confident	86	Confident	52 Å²	52	57.7 Å²	57.7	24%	0.243	30%	0.298	C	S	.	.	H	α-helix	trans	-58.3	-23.1	179.8	-77.2	-66.8	-45.3	0	0	113.7	W421 V422 L427 R428 K429	W421-Q425 HydrophobicContact CE3-CG 4.23Å; W421-Q425 HydrophobicContact CH2-CG 4.24Å; W421-Q425 VanDerWaalsContact CH2-NE2 3.33Å; W421-Q425 HydrophobicContact CZ3-CG 4.04Å; V422-Q425 WeakPolarHBondContact O-CB 3.17Å; V422-Q425 PolarHBondContact O-N 2.93Å; Q425-L427 PolarHBondContact O-N 3.44Å; Q425-R428 PolarHBondContact O-N 3.42Å; Q425-K429 PolarHBondContact O-N 3.12Å
426	F	90.5	Very high	86.6	Confident	13 Å²	13	57.8 Å²	57.8	6%	0.057	30%	0.3	C	S	.	.	H	α-helix	trans	-60.8	-29.8	179.8	75.8	-83.9	0	0	0	113	M419 E423 V424 K429 A430 K491 V494 Q495 Y498	M419-F426 HydrophobicContact CE-CE1 4.43Å; E423-F426 WeakPolarHBondContact O-CD1 3.4Å; E423-F426 VanDerWaalsContact O-CE1 3.26Å; E423-F426 WeakPolarHBondContact O-CE1 3.47Å; V424-F426 PolarHBondContact O-N 3.41Å; F426-K429 PolarHBondContact O-N 2.91Å; F426-A430 WeakPolarHBondContact O-CB 3.39Å; F426-A430 PolarHBondContact O-N 3.09Å; F426-K491 HydrophobicContact CD1-CG 4.18Å; F426-K491 HydrophobicContact CE1-CB 4.22Å; F426-K491 HydrophobicContact CE1-CG 4.02Å; F426-K491 HydrophobicContact CE2-CB 4.29Å; F426-K491 HydrophobicContact CE2-CG 4.41Å; F426-K491 HydrophobicContact CG-CG 4.43Å; F426-K491 HydrophobicContact CZ-CB 3.93Å; F426-K491 HydrophobicContact CZ-CG 4.14Å; F426-V494 HydrophobicContact CD2-CB 3.85Å; F426-V494 HydrophobicContact CD2-CG1 3.66Å; F426-V494 HydrophobicContact CE2-CB 3.77Å; F426-V494 HydrophobicContact CE2-CG1 3.96Å; F426-V494 HydrophobicContact CE2-CG2 4.06Å; F426-Q495 HydrophobicContact CB-CG 4.23Å; F426-Q495 HydrophobicContact CD2-CG 4.43Å; F426-Y498 HydrophobicContact CB-CE1 4.45Å
427	L	91.2	Very high	87.5	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67.9	-44.7	177.5	-69.4	174.8	0	0	0	110.9	V407 K410 M411 I414 V424 Q425 K429 A430 V431 I482 V494	V407-L427 HydrophobicContact CG1-CB 3.48Å; V407-L427 VanDerWaalsContact CG1-CB 3.48Å; V407-L427 HydrophobicContact CG2-CB 4.48Å; K410-L427 HydrophobicContact CG-CD1 4.3Å; M411-L427 HydrophobicContact CG-CB 4.11Å; M411-L427 HydrophobicContact CG-CD1 3.85Å; M411-L427 HydrophobicContact SD-CB 4.36Å; I414-L427 HydrophobicContact CD1-CD1 3.95Å; V424-L427 PolarHBondContact O-N 3.1Å; Q425-L427 PolarHBondContact O-N 3.44Å; L427-K429 VanDerWaalsContact C-N 3.34Å; L427-K429 PolarHBondContact O-N 2.82Å; L427-A430 WeakPolarHBondContact O-CB 3.48Å; L427-A430 PolarHBondContact O-N 2.67Å; L427-V431 PolarHBondContact O-N 2.93Å; L427-I482 HydrophobicContact CD2-CD1 4.03Å; L427-V494 HydrophobicContact CD2-CG1 4.41Å; L427-V494 HydrophobicContact CD2-CG2 4.19Å
428	R	92.1	Very high	88.5	Confident	129 Å²	129	50.4 Å²	50.4	49%	0.487	24%	0.241	S	C	.	.	H	α-helix	trans	-61	-45.6	174.6	-177.6	178.9	179.1	179	3.9	110.8	M411 Q425 A430 V431 D432	M411-R428 HydrophobicContact SD-CB 4.15Å; Q425-R428 PolarHBondContact O-N 3.42Å; R428-A430 VanDerWaalsContact C-N 3.25Å; R428-A430 PolarHBondContact O-N 2.94Å; R428-V431 PolarHBondContact O-N 3.39Å; R428-V431 VanDerWaalsContact O-N 3.14Å; R428-D432 PolarHBondContact O-N 3.27Å
429	K	93.9	Very high	89.6	Confident	91 Å²	91	43.3 Å²	43.3	40%	0.396	21%	0.206	S	C	.	.	H	α-helix	trans	-57.9	-38.5	176.2	-175.1	172.3	179.4	179.4	0	111.9	Q425 F426 L427 V431 D432 V433 Y498	Q425-K429 PolarHBondContact O-N 3.12Å; F426-K429 PolarHBondContact O-N 2.91Å; L427-K429 VanDerWaalsContact C-N 3.34Å; L427-K429 PolarHBondContact O-N 2.82Å; K429-V431 PolarHBondContact O-N 2.99Å; K429-D432 PolarHBondContact O-N 3.48Å; K429-V433 HydrophobicContact CG-CG2 4.34Å; K429-V433 WeakPolarHBondContact O-CG2 3.19Å; K429-V433 PolarHBondContact O-N 3.11Å; K429-Y498 HydrophobicContact CD-CE2 3.9Å; K429-Y498 HydrophobicContact CG-CE2 4.21Å
430	A	95.7	Very high	90.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.3	-41.8	177.2	0	0	0	0	0	112.4	F426 L427 R428 V433 L434 L478 V494 Y498	F426-A430 WeakPolarHBondContact O-CB 3.39Å; F426-A430 PolarHBondContact O-N 3.09Å; L427-A430 WeakPolarHBondContact O-CB 3.48Å; L427-A430 PolarHBondContact O-N 2.67Å; R428-A430 VanDerWaalsContact C-N 3.25Å; R428-A430 PolarHBondContact O-N 2.94Å; A430-V433 PolarHBondContact O-N 3.28Å; A430-L434 WeakPolarHBondContact O-CB 3.33Å; A430-L434 PolarHBondContact O-N 2.93Å; A430-L478 HydrophobicContact CB-CD1 4.3Å; A430-L478 HydrophobicContact CB-CD2 4.38Å; A430-V494 HydrophobicContact CB-CG1 3.44Å; A430-V494 VanDerWaalsContact CB-CG1 3.44Å; A430-Y498 HydrophobicContact CB-CD1 3.79Å; A430-Y498 HydrophobicContact CB-CG 4.35Å
431	V	95.6	Very high	91.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-68.5	-38.2	175.9	-176.2	0	0	0	0	111.6	L403 Y404 V407 L427 R428 K429 L434 S435 L478	L403-V431 HydrophobicContact CB-CG1 4.09Å; L403-V431 HydrophobicContact CB-CG2 4.18Å; Y404-V431 HydrophobicContact CD1-CB 4.37Å; Y404-V431 HydrophobicContact CD1-CG1 3.87Å; Y404-V431 HydrophobicContact CD2-CG1 3.91Å; Y404-V431 HydrophobicContact CE1-CB 4.1Å; Y404-V431 HydrophobicContact CE1-CG1 3.7Å; Y404-V431 HydrophobicContact CE2-CG1 3.75Å; Y404-V431 HydrophobicContact CG-CG1 3.98Å; V407-V431 HydrophobicContact CB-CG2 4.19Å; V407-V431 HydrophobicContact CG2-CG2 3.58Å; L427-V431 PolarHBondContact O-N 2.93Å; R428-V431 PolarHBondContact O-N 3.39Å; R428-V431 VanDerWaalsContact O-N 3.14Å; K429-V431 PolarHBondContact O-N 2.99Å; V431-L434 PolarHBondContact O-N 3.13Å; V431-S435 WeakPolarHBondContact O-CB 3.23Å; V431-S435 PolarHBondContact O-N 3.05Å; V431-S435 PolarHBondContact O-OG 3.14Å; V431-L478 HydrophobicContact CG2-CD1 4.3Å
432	D	94.3	Very high	92.7	Very high	59 Å²	59	32.3 Å²	32.3	32%	0.316	15%	0.154	S	C	.	.	H	α-helix	trans	-61.2	-48	174.9	-68.7	-29.3	0	0	0	111	Y404 R428 K429 L434 S435 D436	Y404-D432 WeakPolarHBondContact CE1-OD1 3.41Å; Y404-D432 PolarHBondContact OH-OD1 3.13Å; R428-D432 PolarHBondContact O-N 3.27Å; K429-D432 PolarHBondContact O-N 3.48Å; D432-L434 PolarHBondContact O-N 3.22Å; D432-S435 PolarHBondContact O-N 3.32Å; D432-D436 WeakPolarHBondContact O-CB 3.33Å; D432-D436 PolarHBondContact O-N 2.93Å
433	V	96.4	Very high	93.6	Very high	8 Å²	8	27.6 Å²	27.6	5%	0.048	13%	0.125	C	C	.	.	H	α-helix	trans	-63.6	-41.8	177.3	171.9	0	0	0	0	111.6	K429 A430 S435 D436 C437 Y498 C501 E502	K429-V433 HydrophobicContact CG-CG2 4.34Å; K429-V433 WeakPolarHBondContact O-CG2 3.19Å; K429-V433 PolarHBondContact O-N 3.11Å; A430-V433 PolarHBondContact O-N 3.28Å; V433-S435 VanDerWaalsContact C-N 3.34Å; V433-S435 PolarHBondContact O-N 3.48Å; V433-D436 PolarHBondContact O-N 3.4Å; V433-C437 WeakPolarHBondContact O-CB 3.48Å; V433-C437 PolarHBondContact O-N 3.5Å; V433-C437 PolarHBondContact O-SG 3.32Å; V433-Y498 WeakPolarHBondContact CG1-O 3.42Å; V433-Y498 HydrophobicContact CG2-CD2 4.05Å; V433-C501 HydrophobicContact CG1-CB 4.12Å; V433-E502 HydrophobicContact CG1-CB 4.16Å
434	L	97.5	Very high	94.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-57.6	-48.9	175.1	174.1	58.3	0	0	0	110.9	E400 L403 A430 V431 D432 D436 C437 R438 T471 L474 L478	E400-L434 HydrophobicContact CG-CD2 4.16Å; L403-L434 HydrophobicContact CD1-CD2 3.84Å; A430-L434 WeakPolarHBondContact O-CB 3.33Å; A430-L434 PolarHBondContact O-N 2.93Å; V431-L434 PolarHBondContact O-N 3.13Å; D432-L434 PolarHBondContact O-N 3.22Å; L434-D436 VanDerWaalsContact C-N 3.31Å; L434-D436 PolarHBondContact O-N 3.42Å; L434-C437 PolarHBondContact O-N 3.41Å; L434-R438 HydrophobicContact CD1-CG 4.06Å; L434-R438 WeakPolarHBondContact O-CB 3.15Å; L434-R438 WeakPolarHBondContact O-CG 3.49Å; L434-R438 PolarHBondContact O-N 3.48Å; L434-T471 HydrophobicContact CD1-CG2 3.64Å; L434-L474 HydrophobicContact CB-CD2 3.9Å; L434-L474 HydrophobicContact CB-CG 4.42Å; L434-L474 HydrophobicContact CD1-CD2 4.5Å; L434-L478 HydrophobicContact CD2-CD1 3.95Å
435	S	95.3	Very high	95.3	Very high	9 Å²	9	23.8 Å²	23.8	6%	0.063	11%	0.107	C	C	.	.	H	α-helix	trans	-61.1	-40.3	179.7	-59.5	0	0	0	0	112.2	V431 D432 V433 R439	V431-S435 WeakPolarHBondContact O-CB 3.23Å; V431-S435 PolarHBondContact O-N 3.05Å; V431-S435 PolarHBondContact O-OG 3.14Å; D432-S435 PolarHBondContact O-N 3.32Å; V433-S435 VanDerWaalsContact C-N 3.34Å; V433-S435 PolarHBondContact O-N 3.48Å; S435-R439 WeakPolarHBondContact O-CB 3.4Å; S435-R439 PolarHBondContact O-N 2.92Å
436	D	94.9	Very high	95.8	Very high	66 Å²	66	21.3 Å²	21.3	35%	0.353	10%	0.096	S	C	.	.	H	α-helix	trans	-65.7	-44	176	-95.9	14.4	0	0	0	112.8	D432 V433 L434 R439 T440 R505	D432-D436 WeakPolarHBondContact O-CB 3.33Å; D432-D436 PolarHBondContact O-N 2.93Å; V433-D436 PolarHBondContact O-N 3.4Å; L434-D436 VanDerWaalsContact C-N 3.31Å; L434-D436 PolarHBondContact O-N 3.42Å; D436-R439 PolarHBondContact O-N 3.49Å; D436-T440 WeakPolarHBondContact O-CB 3.27Å; D436-T440 PolarHBondContact O-N 3.32Å; D436-T440 PolarHBondContact O-OG1 3.48Å; D436-R505 IonicContact OD2-CZ 2.68Å; D436-R505 IonicContact OD2-NH1 2.72Å; D436-R505 PolarHBondContact OD2-NH1 3.14Å; D436-R505 IonicContact OD2-NH2 3.63Å
437	C	97.7	Very high	96.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64.4	-43.2	177.1	-66.3	0	0	0	0	110.8	V433 L434 T440 L441 L467 T471	V433-C437 WeakPolarHBondContact O-CB 3.48Å; V433-C437 PolarHBondContact O-N 3.5Å; V433-C437 PolarHBondContact O-SG 3.32Å; L434-C437 PolarHBondContact O-N 3.41Å; C437-T440 WeakPolarHBondContact O-CB 3.31Å; C437-T440 PolarHBondContact O-N 2.66Å; C437-L441 WeakPolarHBondContact O-CB 3.24Å; C437-L441 WeakPolarHBondContact O-CG 3.36Å; C437-L441 PolarHBondContact O-N 3.01Å; C437-L467 HydrophobicContact CB-CD1 4.12Å; C437-T471 HydrophobicContact CB-CG2 4.18Å; C437-T471 WeakPolarHBondContact CB-OG1 3.41Å
438	R	96.9	Very high	96.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.1	-44.8	175.4	-73.7	-84.3	-172.1	-139.8	8.4	113.1	G325 H393 L397 E400 L434 T440 L441 K442 T471 E472	G325-R438 PolarHBondContact O-NH2 3.29Å; G325-R438 VanDerWaalsContact O-NH2 3.1Å; H393-R438 PolarHBondContact CE1-NH1 3.06Å; H393-R438 PolarHBondContact ND1-NH1 3.36Å; L397-R438 HydrophobicContact CB-CB 4.24Å; L397-R438 HydrophobicContact CD1-CB 4.04Å; E400-R438 VanDerWaalsContact CD-NE 3.33Å; E400-R438 IonicContact OE1-CZ 3.85Å; E400-R438 IonicContact OE1-NE 3.72Å; E400-R438 PolarHBondContact OE1-NE 2.98Å; E400-R438 IonicContact OE1-NH2 3.72Å; E400-R438 PolarHBondContact OE1-NH2 2.94Å; E400-R438 VanDerWaalsContact OE2-CD 3.31Å; E400-R438 WeakPolarHBondContact OE2-CD 3.48Å; E400-R438 WeakPolarHBondContact OE2-CG 3.15Å; E400-R438 IonicContact OE2-NE 2.98Å; E400-R438 PolarHBondContact OE2-NE 2.86Å; L434-R438 HydrophobicContact CD1-CG 4.06Å; L434-R438 WeakPolarHBondContact O-CB 3.15Å; L434-R438 WeakPolarHBondContact O-CG 3.49Å; L434-R438 PolarHBondContact O-N 3.48Å; R438-T440 VanDerWaalsContact C-N 3.32Å; R438-L441 PolarHBondContact O-N 3.01Å; R438-K442 WeakPolarHBondContact O-CB 3.23Å; R438-K442 PolarHBondContact O-N 3.49Å; R438-T471 HydrophobicContact CG-CG2 3.92Å; R438-E472 IonicContact CZ-OE1 3.48Å; R438-E472 IonicContact CZ-OE2 3.04Å; R438-E472 IonicContact NH1-OE1 2.72Å; R438-E472 PolarHBondContact NH1-OE1 3.28Å; R438-E472 IonicContact NH1-OE2 2.88Å; R438-E472 VanDerWaalsContact NH2-CD 3.33Å; R438-E472 IonicContact NH2-OE1 3.46Å; R438-E472 PolarHBondContact NH2-OE1 3.06Å; R438-E472 IonicContact NH2-OE2 3.78Å; R438-E472 PolarHBondContact NH2-OE2 2.89Å
439	R	95.8	Very high	96.7	Very high	51 Å²	51	16.5 Å²	16.5	19%	0.192	8%	0.079	C	C	.	.	H	α-helix	trans	-60.3	-45.5	175.1	-173.1	-179.2	-59.8	-146.9	-6.2	110.9	S271 D279 W280 L397 S435 D436 K442 Y443	S271-R439 PolarHBondContact O-NH1 2.97Å; D279-R439 IonicContact OD1-NH1 3.39Å; W280-R439 WeakPolarHBondContact O-CD 3.27Å; L397-R439 HydrophobicContact CD2-CB 4.42Å; S435-R439 WeakPolarHBondContact O-CB 3.4Å; S435-R439 PolarHBondContact O-N 2.92Å; D436-R439 PolarHBondContact O-N 3.49Å; R439-K442 WeakPolarHBondContact O-CB 3.3Å; R439-K442 PolarHBondContact O-N 3.17Å; R439-Y443 HydrophobicContact CG-CD2 4.15Å; R439-Y443 HydrophobicContact CG-CE2 3.78Å; R439-Y443 WeakPolarHBondContact O-CD2 3.43Å; R439-Y443 PolarHBondContact O-N 3.39Å
440	T	97.7	Very high	96.8	Very high	5 Å²	5	12.6 Å²	12.6	3%	0.031	6%	0.062	C	C	.	.	H	α-helix	trans	-61.1	-52.3	177	-51.8	0	0	0	0	110.4	D436 C437 R438 K442 Y443 T444 L467 R505 L509	D436-T440 WeakPolarHBondContact O-CB 3.27Å; D436-T440 PolarHBondContact O-N 3.32Å; D436-T440 PolarHBondContact O-OG1 3.48Å; C437-T440 WeakPolarHBondContact O-CB 3.31Å; C437-T440 PolarHBondContact O-N 2.66Å; R438-T440 VanDerWaalsContact C-N 3.32Å; T440-K442 VanDerWaalsContact C-N 3.34Å; T440-K442 PolarHBondContact O-N 3.43Å; T440-Y443 CarbonylContact O-C 3.56Å; T440-Y443 WeakPolarHBondContact O-CA 3.4Å; T440-Y443 PolarHBondContact O-N 2.74Å; T440-T444 HydrophobicContact CG2-CG2 4.24Å; T440-T444 WeakPolarHBondContact O-CG2 3.39Å; T440-T444 PolarHBondContact O-N 3.1Å; T440-L467 HydrophobicContact CG2-CD2 4.39Å; T440-R505 HydrophobicContact CG2-CG 4.17Å; T440-R505 PolarHBondContact OG1-NE 3.41Å; T440-L509 HydrophobicContact CG2-CD1 4.41Å; T440-L509 HydrophobicContact CG2-CD2 3.9Å; T440-L509 HydrophobicContact CG2-CG 4.25Å
441	L	98.3	Very high	96.8	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-54	-46.4	178.6	-80.1	167.3	0	0	0	112.4	C437 R438 Y443 T444 Y445 Q464 L467 E468 T471	C437-L441 WeakPolarHBondContact O-CB 3.24Å; C437-L441 WeakPolarHBondContact O-CG 3.36Å; C437-L441 PolarHBondContact O-N 3.01Å; R438-L441 PolarHBondContact O-N 3.01Å; L441-Y443 PolarHBondContact O-N 2.96Å; L441-T444 WeakPolarHBondContact CA-OG1 3.5Å; L441-T444 PolarHBondContact O-N 3.49Å; L441-T444 VanDerWaalsContact O-N 3.14Å; L441-T444 PolarHBondContact O-OG1 3.22Å; L441-Y445 VanDerWaalsContact O-CD2 3.29Å; L441-Y445 WeakPolarHBondContact O-CD2 3.35Å; L441-Y445 PolarHBondContact O-N 3.26Å; L441-Q464 HydrophobicContact CD2-CG 4.37Å; L441-L467 HydrophobicContact CD1-CG 4.34Å; L441-L467 HydrophobicContact CD2-CB 4.32Å; L441-L467 HydrophobicContact CD2-CD2 3.98Å; L441-L467 HydrophobicContact CD2-CG 3.94Å; L441-L467 HydrophobicContact CG-CD2 3.97Å; L441-L467 HydrophobicContact CG-CG 4Å; L441-E468 HydrophobicContact CD1-CB 4.44Å; L441-E468 HydrophobicContact CD1-CG 4.49Å; L441-E468 HydrophobicContact CD2-CB 3.93Å; L441-E468 HydrophobicContact CD2-CG 4.44Å; L441-T471 HydrophobicContact CD1-CG2 3.9Å
442	K	96.6	Very high	96.7	Very high	10 Å²	10	17 Å²	17	4%	0.043	8%	0.083	C	C	.	.	H	α-helix	trans	-49.5	-48.7	173.9	-179	-175.7	73.9	167.1	0	111.1	Y390 H393 M394 R438 R439 T440 Y445	Y390-K442 HydrophobicContact CD2-CD 4.09Å; Y390-K442 HydrophobicContact CD2-CG 3.32Å; Y390-K442 WeakPolarHBondContact CD2-O 3.32Å; Y390-K442 HydrophobicContact CE2-CD 3.57Å; Y390-K442 HydrophobicContact CE2-CG 3.29Å; Y390-K442 HydrophobicContact CG-CG 4.14Å; H393-K442 HydrophobicContact CB-CB 4.07Å; M394-K442 HydrophobicContact CB-CD 3.8Å; M394-K442 HydrophobicContact CG-CD 4.21Å; R438-K442 WeakPolarHBondContact O-CB 3.23Å; R438-K442 PolarHBondContact O-N 3.49Å; R439-K442 WeakPolarHBondContact O-CB 3.3Å; R439-K442 PolarHBondContact O-N 3.17Å; T440-K442 VanDerWaalsContact C-N 3.34Å; T440-K442 PolarHBondContact O-N 3.43Å; K442-Y445 PolarHBondContact O-N 3.47Å
443	Y	98.2	Very high	96.6	Very high	7 Å²	7	20.2 Å²	20.2	3%	0.027	9%	0.09	C	C	.	.	H	α-helix	trans	-78.3	-25.3	-178.3	-66.5	-56.1	0	0	0	114.6	D279 W280 H281 V284 L289 Y390 R439 T440 L441 Y445 V446 F447	D279-Y443 HydrophobicContact CB-CE2 4.44Å; D279-Y443 WeakPolarHBondContact CB-OH 3.29Å; W280-Y443 WeakPolarHBondContact O-CE2 3.49Å; H281-Y443 HydrophobicContact CB-CD1 3.81Å; H281-Y443 HydrophobicContact CB-CD2 3.71Å; H281-Y443 HydrophobicContact CB-CE1 3.79Å; H281-Y443 HydrophobicContact CB-CE2 3.63Å; H281-Y443 HydrophobicContact CB-CG 3.77Å; V284-Y443 HydrophobicContact CG1-CD1 3.98Å; V284-Y443 HydrophobicContact CG1-CG 4.28Å; L289-Y443 HydrophobicContact CD1-CD1 4.07Å; L289-Y443 HydrophobicContact CD1-CE1 3.67Å; L289-Y443 HydrophobicContact CD2-CE1 4.11Å; Y390-Y443 HydrophobicContact CE2-CE1 4.45Å; R439-Y443 HydrophobicContact CG-CD2 4.15Å; R439-Y443 HydrophobicContact CG-CE2 3.78Å; R439-Y443 WeakPolarHBondContact O-CD2 3.43Å; R439-Y443 PolarHBondContact O-N 3.39Å; T440-Y443 CarbonylContact O-C 3.56Å; T440-Y443 WeakPolarHBondContact O-CA 3.4Å; T440-Y443 PolarHBondContact O-N 2.74Å; L441-Y443 PolarHBondContact O-N 2.96Å; Y443-Y445 PolarHBondContact O-N 3.43Å; Y443-V446 HydrophobicContact CD1-CG2 4.35Å; Y443-V446 PolarHBondContact O-N 2.88Å; Y443-V446 VanDerWaalsContact O-N 3.1Å; Y443-F447 PolarHBondContact O-N 3.11Å
444	T	98.4	Very high	96.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-58.9	-34.6	171.1	64.8	0	0	0	0	111.9	P283 T440 L441 F447 A448 F460 Q464 L508	P283-T444 HydrophobicContact CG-CG2 4.15Å; T440-T444 HydrophobicContact CG2-CG2 4.24Å; T440-T444 WeakPolarHBondContact O-CG2 3.39Å; T440-T444 PolarHBondContact O-N 3.1Å; L441-T444 WeakPolarHBondContact CA-OG1 3.5Å; L441-T444 PolarHBondContact O-N 3.49Å; L441-T444 VanDerWaalsContact O-N 3.14Å; L441-T444 PolarHBondContact O-OG1 3.22Å; T444-F447 PolarHBondContact O-N 2.79Å; T444-A448 VanDerWaalsContact O-CB 3.24Å; T444-A448 WeakPolarHBondContact O-CB 3.14Å; T444-A448 PolarHBondContact O-N 2.87Å; T444-F460 HydrophobicContact CG2-CE2 4.49Å; T444-F460 HydrophobicContact CG2-CZ 4.47Å; T444-Q464 PolarHBondContact OG1-NE2 3.45Å; T444-L508 HydrophobicContact CG2-CD1 3.9Å; T444-L508 HydrophobicContact CG2-CD2 3.68Å; T444-L508 HydrophobicContact CG2-CG 4.49Å
445	Y	97.9	Very high	96.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-72.1	-30.7	175.9	-76.1	-69.4	0	0	0	113.7	N359 Y386 R389 H393 L441 K442 Y443 Y449 E468	N359-Y445 HydrophobicContact CB-CE1 4.23Å; N359-Y445 WeakPolarHBondContact CB-OH 3.48Å; Y386-Y445 AromaticContact CD1-CD1 3.93Å; Y386-Y445 HydrophobicContact CD1-CD1 3.93Å; Y386-Y445 WeakPolarHBondContact CD1-O 3.38Å; Y386-Y445 HydrophobicContact CE1-CD1 4.4Å; R389-Y445 HydrophobicContact CB-CD1 3.73Å; R389-Y445 HydrophobicContact CB-CD2 3.76Å; R389-Y445 HydrophobicContact CB-CE1 3.76Å; R389-Y445 HydrophobicContact CB-CE2 3.79Å; R389-Y445 HydrophobicContact CB-CG 3.73Å; R389-Y445 VanDerWaalsContact CD-CZ 3.47Å; R389-Y445 HydrophobicContact CG-CD1 4.42Å; R389-Y445 HydrophobicContact CG-CE1 4.04Å; H393-Y445 AromaticContact CD2-CD2 3.81Å; H393-Y445 AromaticContact CD2-CE2 3.59Å; H393-Y445 AromaticContact NE2-CE2 3.51Å; L441-Y445 VanDerWaalsContact O-CD2 3.29Å; L441-Y445 WeakPolarHBondContact O-CD2 3.35Å; L441-Y445 PolarHBondContact O-N 3.26Å; K442-Y445 PolarHBondContact O-N 3.47Å; Y443-Y445 PolarHBondContact O-N 3.43Å; Y445-Y449 WeakPolarHBondContact O-CB 3.42Å; Y445-Y449 PolarHBondContact O-N 3.09Å; Y445-E468 PolarHBondContact OH-OE2 2.8Å
446	V	97.7	Very high	96.4	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-68.5	-45	172.4	-173.1	0	0	0	0	110.3	V284 W292 Y390 Y443 Y449 Y450	V284-V446 HydrophobicContact CG1-CB 4.48Å; V284-V446 HydrophobicContact CG2-CB 4.37Å; V284-V446 HydrophobicContact CG2-CG1 3.95Å; W292-V446 HydrophobicContact CB-CG1 3.53Å; W292-V446 HydrophobicContact CD2-CG1 3.9Å; W292-V446 HydrophobicContact CD2-CG2 4.17Å; W292-V446 HydrophobicContact CE3-CG1 4.38Å; W292-V446 HydrophobicContact CG-CB 4.37Å; W292-V446 HydrophobicContact CG-CG1 3.51Å; W292-V446 HydrophobicContact CG-CG2 4Å; Y390-V446 HydrophobicContact CD2-CG2 3.44Å; Y390-V446 VanDerWaalsContact CD2-CG2 3.44Å; Y390-V446 HydrophobicContact CE2-CG2 3.74Å; Y390-V446 HydrophobicContact CG-CG2 4.39Å; Y443-V446 HydrophobicContact CD1-CG2 4.35Å; Y443-V446 PolarHBondContact O-N 2.88Å; Y443-V446 VanDerWaalsContact O-N 3.1Å; V446-Y449 PolarHBondContact O-N 3.39Å; V446-Y450 HydrophobicContact CG1-CD2 4.47Å; V446-Y450 HydrophobicContact CG1-CE2 4.15Å; V446-Y450 VanDerWaalsContact O-CD2 3.31Å; V446-Y450 WeakPolarHBondContact O-CD2 3.13Å
447	F	97.8	Very high	96.4	Very high	2 Å²	2	27 Å²	27	1%	0.009	13%	0.125	C	C	.	.	H	α-helix	trans	-57.9	-51.8	174.3	177.9	-96.3	0	0	0	111.1	P283 V284 Y443 T444 Y449 Y450 L451 F460 W521 F523	P283-F447 HydrophobicContact CG-CB 4.03Å; P283-F447 HydrophobicContact CG-CD1 4.45Å; P283-F447 HydrophobicContact CG-CD2 4.45Å; P283-F447 HydrophobicContact CG-CG 4.08Å; V284-F447 HydrophobicContact CB-CB 4.28Å; Y443-F447 PolarHBondContact O-N 3.11Å; T444-F447 PolarHBondContact O-N 2.79Å; F447-Y449 VanDerWaalsContact C-N 3.29Å; F447-Y449 PolarHBondContact O-N 2.79Å; F447-Y450 PolarHBondContact O-N 2.8Å; F447-Y450 VanDerWaalsContact O-N 3.13Å; F447-L451 HydrophobicContact CD1-CD2 4.33Å; F447-L451 HydrophobicContact CE1-CD1 4.06Å; F447-L451 HydrophobicContact CE1-CD2 3.77Å; F447-L451 HydrophobicContact CE1-CG 4.42Å; F447-L451 HydrophobicContact CZ-CD1 4.02Å; F447-L451 PolarHBondContact O-N 2.71Å; F447-F460 HydrophobicContact CD1-CD2 4.22Å; F447-F460 HydrophobicContact CD1-CE1 4.11Å; F447-F460 AromaticContact CD1-CE2 3.64Å; F447-F460 HydrophobicContact CD1-CE2 3.64Å; F447-F460 AromaticContact CD1-CZ 3.58Å; F447-F460 HydrophobicContact CD1-CZ 3.58Å; F447-F460 AromaticContact CE1-CD2 3.99Å; F447-F460 HydrophobicContact CE1-CD2 3.99Å; F447-F460 AromaticContact CE1-CE2 3.88Å; F447-F460 HydrophobicContact CE1-CE2 3.88Å; F447-F460 HydrophobicContact CE1-CG 4.33Å; F447-F460 HydrophobicContact CE1-CZ 4.15Å; F447-W521 AromaticContact CZ-CD2 3.97Å; F447-W521 HydrophobicContact CZ-CD2 3.97Å; F447-W521 AromaticContact CZ-CE2 3.99Å; F447-W521 HydrophobicContact CZ-CE3 4.49Å; F447-W521 HydrophobicContact CZ-CG 4.13Å; F447-F523 HydrophobicContact CD2-CE1 4.07Å; F447-F523 HydrophobicContact CD2-CZ 4.41Å; F447-F523 AromaticContact CE2-CE1 3.64Å; F447-F523 HydrophobicContact CE2-CE1 3.64Å; F447-F523 AromaticContact CE2-CZ 3.7Å; F447-F523 HydrophobicContact CE2-CZ 3.7Å; F447-F523 HydrophobicContact CZ-CE1 4.13Å; F447-F523 HydrophobicContact CZ-CZ 4.28Å
448	A	97.3	Very high	96.3	Very high	6 Å²	6	30.2 Å²	30.2	5%	0.05	14%	0.141	C	C	.	.	H	α-helix	trans	-61.7	-32.4	-179.8	0	0	0	0	0	113.8	R382 Y386 T444 Y450 L451 F460	R382-A448 PolarHBondContact NH2-O 2.66Å; Y386-A448 HydrophobicContact CD1-CB 4.1Å; Y386-A448 HydrophobicContact CE1-CB 3.49Å; Y386-A448 VanDerWaalsContact CE1-CB 3.49Å; T444-A448 VanDerWaalsContact O-CB 3.24Å; T444-A448 WeakPolarHBondContact O-CB 3.14Å; T444-A448 PolarHBondContact O-N 2.87Å; A448-Y450 VanDerWaalsContact C-N 3.32Å; A448-Y450 PolarHBondContact O-N 3.3Å; A448-L451 PolarHBondContact O-N 3.1Å; A448-F460 HydrophobicContact CB-CE1 3.82Å; A448-F460 HydrophobicContact CB-CZ 4.36Å
449	Y	95.8	Very high	96.2	Very high	33 Å²	33	33.8 Å²	33.8	13%	0.129	16%	0.159	C	C	.	.	H	α-helix	trans	-62.3	-39.3	175.7	173	-104.2	0	0	0	111.9	W292 K295 R382 Y383 Y386 Y445 V446 F447	W292-Y449 AromaticContact CE3-CD1 3.67Å; W292-Y449 HydrophobicContact CE3-CD1 3.67Å; W292-Y449 HydrophobicContact CE3-CE1 4.13Å; W292-Y449 HydrophobicContact CE3-CG 4.1Å; W292-Y449 HydrophobicContact CH2-CG 4.36Å; W292-Y449 AromaticContact CZ3-CD1 3.45Å; W292-Y449 HydrophobicContact CZ3-CD1 3.45Å; W292-Y449 VanDerWaalsContact CZ3-CD1 3.45Å; W292-Y449 AromaticContact CZ3-CD2 3.95Å; W292-Y449 HydrophobicContact CZ3-CD2 3.95Å; W292-Y449 AromaticContact CZ3-CE1 3.9Å; W292-Y449 HydrophobicContact CZ3-CE1 3.9Å; W292-Y449 HydrophobicContact CZ3-CE2 4.38Å; W292-Y449 AromaticContact CZ3-CG 3.46Å; W292-Y449 HydrophobicContact CZ3-CG 3.46Å; W292-Y449 VanDerWaalsContact CZ3-CG 3.46Å; K295-Y449 WeakPolarHBondContact CE-OH 3.24Å; R382-Y449 VanDerWaalsContact NH1-CD2 3.33Å; R382-Y449 PolarHBondContact NH1-O 2.88Å; R382-Y449 PolarHBondContact NH2-O 3Å; Y383-Y449 HydrophobicContact CD2-CE2 4.26Å; Y386-Y449 AromaticContact CD2-CD2 3.7Å; Y386-Y449 HydrophobicContact CD2-CD2 3.7Å; Y386-Y449 HydrophobicContact CD2-CG 4.41Å; Y386-Y449 HydrophobicContact CE2-CD2 4.48Å; Y386-Y449 HydrophobicContact CG-CD2 4.09Å; Y386-Y449 HydrophobicContact CG-CG 4.45Å; Y445-Y449 WeakPolarHBondContact O-CB 3.42Å; Y445-Y449 PolarHBondContact O-N 3.09Å; V446-Y449 PolarHBondContact O-N 3.39Å; F447-Y449 VanDerWaalsContact C-N 3.29Å; F447-Y449 PolarHBondContact O-N 2.79Å
450	Y	96.3	Very high	96.3	Very high	8 Å²	8	31.4 Å²	31.4	3%	0.031	15%	0.15	C	C	.	.	H	α-helix	trans	-87.1	-17.6	178.2	-67.2	-66.5	0	0	0	112.8	M288 R291 W292 V446 F447 A448 E452 F523 R524	M288-Y450 HydrophobicContact CB-CD2 4.09Å; M288-Y450 HydrophobicContact CB-CE2 4.2Å; M288-Y450 HydrophobicContact CE-CD2 3.59Å; M288-Y450 HydrophobicContact CE-CG 3.74Å; M288-Y450 HydrophobicContact CG-CD2 4.49Å; M288-Y450 WeakPolarHBondContact O-CE2 3.37Å; R291-Y450 HydrophobicContact CG-CE1 4.44Å; R291-Y450 WeakPolarHBondContact CG-OH 3.46Å; R291-Y450 VanDerWaalsContact NE-CZ 3.28Å; R291-Y450 PolarHBondContact NE-OH 2.87Å; R291-Y450 VanDerWaalsContact NH2-CG 3.28Å; W292-Y450 WeakPolarHBondContact CA-OH 3.07Å; W292-Y450 HydrophobicContact CB-CE2 4.19Å; W292-Y450 HydrophobicContact CE3-CE2 4.42Å; W292-Y450 PolarHBondContact N-OH 2.65Å; W292-Y450 VanDerWaalsContact N-OH 3.13Å; V446-Y450 HydrophobicContact CG1-CD2 4.47Å; V446-Y450 HydrophobicContact CG1-CE2 4.15Å; V446-Y450 VanDerWaalsContact O-CD2 3.31Å; V446-Y450 WeakPolarHBondContact O-CD2 3.13Å; F447-Y450 PolarHBondContact O-N 2.8Å; F447-Y450 VanDerWaalsContact O-N 3.13Å; A448-Y450 VanDerWaalsContact C-N 3.32Å; A448-Y450 PolarHBondContact O-N 3.3Å; Y450-E452 PolarHBondContact O-N 2.93Å; Y450-F523 CarbonylContact O-C 3.59Å; Y450-F523 VanDerWaalsContact O-CA 3.26Å; Y450-F523 WeakPolarHBondContact O-CA 3.47Å; Y450-R524 PolarHBondContact O-N 3.13Å
451	L	95.6	Very high	96.3	Very high	11 Å²	11	31.8 Å²	31.8	6%	0.058	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-63.9	131.1	-176.5	-163.9	64.3	0	0	0	112.2	F447 A448 F460 W521 F523	F447-L451 HydrophobicContact CD1-CD2 4.33Å; F447-L451 HydrophobicContact CE1-CD1 4.06Å; F447-L451 HydrophobicContact CE1-CD2 3.77Å; F447-L451 HydrophobicContact CE1-CG 4.42Å; F447-L451 HydrophobicContact CZ-CD1 4.02Å; F447-L451 PolarHBondContact O-N 2.71Å; A448-L451 PolarHBondContact O-N 3.1Å; L451-F460 HydrophobicContact CD2-CD1 4.25Å; L451-W521 HydrophobicContact CD1-CB 4.15Å; L451-W521 HydrophobicContact CD1-CD2 4.2Å; L451-W521 HydrophobicContact CD1-CE3 3.71Å; L451-W521 HydrophobicContact CD1-CG 4.4Å; L451-W521 HydrophobicContact CD1-CZ3 4.45Å; L451-W521 HydrophobicContact CD2-CE3 4.47Å; L451-W521 HydrophobicContact CD2-CZ3 4.43Å; L451-F523 HydrophobicContact CD1-CD1 4.21Å; L451-F523 HydrophobicContact CD1-CE1 3.82Å
452	E	93.5	Very high	96.2	Very high	83 Å²	83	35 Å²	35	39%	0.388	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-79.7	144	166.6	-66.7	-175.4	173.3	0	0	110.5	Y450 N454 S522 R524	Y450-E452 PolarHBondContact O-N 2.93Å; E452-N454 PolarHBondContact O-N 2.62Å; E452-S522 WeakPolarHBondContact CB-O 3.47Å; E452-S522 PolarHBondContact N-O 2.88Å; E452-S522 VanDerWaalsContact OE2-CB 3.26Å; E452-S522 WeakPolarHBondContact OE2-CB 3.4Å; E452-R524 HydrophobicContact CG-CG 3.63Å
453	R	92.2	Very high	96.2	Very high	125 Å²	125	36 Å²	36	47%	0.472	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-73.5	122.7	-173.8	-165.6	166.5	-177.1	89.1	5.5	109.9	S457 E461	R453-S457 WeakPolarHBondContact CA-OG 3.3Å; R453-E461 IonicContact NH1-OE1 2.99Å; R453-E461 PolarHBondContact NH1-OE1 2.97Å; R453-E461 VanDerWaalsContact NH1-OE1 3.14Å; R453-E461 IonicContact NH1-OE2 3.08Å; R453-E461 IonicContact NH2-OE2 3.04Å
454	N	93.4	Very high	96.2	Very high	42 Å²	42	35.9 Å²	35.9	23%	0.225	17%	0.174	C	C	.	.			trans	-148.1	-176	176.5	69.4	32	0	0	0	110.5	E452 Q456 S457 I458 W520	E452-N454 PolarHBondContact O-N 2.62Å; N454-Q456 VanDerWaalsContact C-N 3.29Å; N454-Q456 PolarHBondContact O-N 2.85Å; N454-Q456 WeakPolarHBondContact OD1-CA 3.38Å; N454-Q456 WeakPolarHBondContact OD1-CB 3.25Å; N454-Q456 PolarHBondContact OD1-N 3.42Å; N454-S457 PolarHBondContact N-OG 3.4Å; N454-S457 PolarHBondContact O-N 3.24Å; N454-S457 PolarHBondContact O-OG 2.91Å; N454-S457 PolarHBondContact OD1-N 3.35Å; N454-I458 PolarHBondContact O-N 3.38Å; N454-W520 PolarHBondContact ND2-O 3.07Å
455	N	95.3	Very high	96.1	Very high	132 Å²	132	36.8 Å²	36.8	71%	0.706	18%	0.179	S	C	*	.	H	α-helix	trans	-62.5	-38.1	-178.4	-67.6	-18.6	0	0	0	112.3	I458	N455-I458 PolarHBondContact O-N 3.37Å
456	Q	97.2	Very high	96	Very high	49 Å²	49	39.2 Å²	39.2	23%	0.229	19%	0.192	C	C	.	.	H	α-helix	trans	-74	-31.9	-179.9	-60.5	-60.7	-19.7	0	0	111.6	N454 I458 I459 F460 H511 W520 W521	N454-Q456 VanDerWaalsContact C-N 3.29Å; N454-Q456 PolarHBondContact O-N 2.85Å; N454-Q456 WeakPolarHBondContact OD1-CA 3.38Å; N454-Q456 WeakPolarHBondContact OD1-CB 3.25Å; N454-Q456 PolarHBondContact OD1-N 3.42Å; Q456-I458 PolarHBondContact O-N 2.88Å; Q456-I459 PolarHBondContact O-N 3.45Å; Q456-I459 VanDerWaalsContact O-N 3.14Å; Q456-F460 PolarHBondContact O-N 3.28Å; Q456-H511 PolarHBondContact O-CE1 2.96Å; Q456-H511 PolarHBondContact OE1-NE2 3.17Å; Q456-W520 HydrophobicContact CB-CB 4.34Å; Q456-W520 HydrophobicContact CB-CE3 4.3Å; Q456-W520 HydrophobicContact CG-CB 3.95Å; Q456-W520 HydrophobicContact CG-CD2 3.77Å; Q456-W520 HydrophobicContact CG-CE3 3.75Å; Q456-W520 HydrophobicContact CG-CG 3.87Å; Q456-W521 HydrophobicContact CB-CE3 4.25Å; Q456-W521 HydrophobicContact CB-CH2 3.64Å; Q456-W521 HydrophobicContact CB-CZ3 3.36Å
457	S	95.4	Very high	96	Very high	4 Å²	4	39.2 Å²	39.2	3%	0.028	19%	0.192	C	C	.	.	H	α-helix	trans	-61.5	-34.3	175.5	80.7	0	0	0	0	111.6	R453 N454 F460 E461	R453-S457 WeakPolarHBondContact CA-OG 3.3Å; N454-S457 PolarHBondContact N-OG 3.4Å; N454-S457 PolarHBondContact O-N 3.24Å; N454-S457 PolarHBondContact O-OG 2.91Å; N454-S457 PolarHBondContact OD1-N 3.35Å; S457-F460 PolarHBondContact O-N 3.42Å; S457-E461 WeakPolarHBondContact O-CB 3.49Å; S457-E461 VanDerWaalsContact O-CG 3.26Å; S457-E461 WeakPolarHBondContact O-CG 3.25Å; S457-E461 PolarHBondContact O-N 2.92Å
458	I	94.5	Very high	96	Very high	67 Å²	67	39.8 Å²	39.8	34%	0.344	20%	0.195	S	C	.	.	H	α-helix	trans	-66.3	-41	176.8	-60.9	168.4	0	0	0	111	R360 N454 N455 Q456 E461 N462	R360-I458 PolarHBondContact NH2-O 3.16Å; N454-I458 PolarHBondContact O-N 3.38Å; N455-I458 PolarHBondContact O-N 3.37Å; Q456-I458 PolarHBondContact O-N 2.88Å; I458-E461 PolarHBondContact O-N 3.31Å; I458-N462 PolarHBondContact O-N 3.15Å; I458-N462 VanDerWaalsContact O-N 3.1Å; I458-N462 PolarHBondContact O-ND2 2.64Å
459	I	96.3	Very high	96	Very high	74 Å²	74	41.3 Å²	41.3	38%	0.379	20%	0.202	S	C	.	.	H	α-helix	trans	-66.8	-44.6	176.9	-62.7	170.9	0	0	0	110	Q456 E461 N462 N463	Q456-I459 PolarHBondContact O-N 3.45Å; Q456-I459 VanDerWaalsContact O-N 3.14Å; I459-E461 VanDerWaalsContact C-N 3.34Å; I459-E461 PolarHBondContact O-N 3.4Å; I459-N462 WeakPolarHBondContact O-CB 3.48Å; I459-N462 PolarHBondContact O-N 3.08Å; I459-N462 VanDerWaalsContact O-N 3.15Å; I459-N463 PolarHBondContact O-N 3.44Å
460	F	97.8	Very high	96	Very high	1 Å²	1	40 Å²	40	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-56.3	-46.9	173.6	164.8	-90.9	0	0	0	111.5	P283 T444 F447 A448 L451 Q456 S457 N462 N463 Q464 L508 W521	P283-F460 HydrophobicContact CG-CE2 4.44Å; T444-F460 HydrophobicContact CG2-CE2 4.49Å; T444-F460 HydrophobicContact CG2-CZ 4.47Å; F447-F460 HydrophobicContact CD1-CD2 4.22Å; F447-F460 HydrophobicContact CD1-CE1 4.11Å; F447-F460 AromaticContact CD1-CE2 3.64Å; F447-F460 HydrophobicContact CD1-CE2 3.64Å; F447-F460 AromaticContact CD1-CZ 3.58Å; F447-F460 HydrophobicContact CD1-CZ 3.58Å; F447-F460 AromaticContact CE1-CD2 3.99Å; F447-F460 HydrophobicContact CE1-CD2 3.99Å; F447-F460 AromaticContact CE1-CE2 3.88Å; F447-F460 HydrophobicContact CE1-CE2 3.88Å; F447-F460 HydrophobicContact CE1-CG 4.33Å; F447-F460 HydrophobicContact CE1-CZ 4.15Å; A448-F460 HydrophobicContact CB-CE1 3.82Å; A448-F460 HydrophobicContact CB-CZ 4.36Å; L451-F460 HydrophobicContact CD2-CD1 4.25Å; Q456-F460 PolarHBondContact O-N 3.28Å; S457-F460 PolarHBondContact O-N 3.42Å; F460-N462 VanDerWaalsContact C-N 3.3Å; F460-N462 PolarHBondContact O-N 3.25Å; F460-N463 PolarHBondContact O-N 3.14Å; F460-Q464 WeakPolarHBondContact O-CB 3.35Å; F460-Q464 PolarHBondContact O-N 3.2Å; F460-L508 HydrophobicContact CE2-CD2 4.23Å; F460-L508 HydrophobicContact CE2-CG 4.48Å; F460-W521 HydrophobicContact CB-CH2 4.43Å
461	E	96.7	Very high	96.1	Very high	14 Å²	14	39.6 Å²	39.6	7%	0.065	20%	0.196	C	C	.	.	H	α-helix	trans	-61.7	-35.2	177.7	-75.1	173.1	162.1	0	0	112.5	N359 R360 R453 S457 I458 I459 N465	N359-E461 PolarHBondContact ND2-O 3.29Å; R360-E461 WeakPolarHBondContact CD-OE2 3.21Å; R360-E461 HydrophobicContact CG-CB 4.14Å; R360-E461 HydrophobicContact CG-CG 4.21Å; R360-E461 IonicContact CZ-OE2 3.3Å; R360-E461 IonicContact NE-OE2 3.33Å; R360-E461 PolarHBondContact NE-OE2 3.02Å; R360-E461 IonicContact NH2-OE2 2.65Å; R453-E461 IonicContact NH1-OE1 2.99Å; R453-E461 PolarHBondContact NH1-OE1 2.97Å; R453-E461 VanDerWaalsContact NH1-OE1 3.14Å; R453-E461 IonicContact NH1-OE2 3.08Å; R453-E461 IonicContact NH2-OE2 3.04Å; S457-E461 WeakPolarHBondContact O-CB 3.49Å; S457-E461 VanDerWaalsContact O-CG 3.26Å; S457-E461 WeakPolarHBondContact O-CG 3.25Å; S457-E461 PolarHBondContact O-N 2.92Å; I458-E461 PolarHBondContact O-N 3.31Å; I459-E461 VanDerWaalsContact C-N 3.34Å; I459-E461 PolarHBondContact O-N 3.4Å; E461-N465 WeakPolarHBondContact O-CB 3.48Å; E461-N465 PolarHBondContact O-N 2.86Å
462	N	96.1	Very high	96.2	Very high	68 Å²	68	39.3 Å²	39.3	36%	0.364	19%	0.194	S	C	.	.	H	α-helix	trans	-67.1	-48.3	173.7	-74.2	-34.9	0	0	0	111.1	R360 I458 I459 F460 Q464 N465 D466	R360-N462 VanDerWaalsContact NH2-CG 3.28Å; R360-N462 PolarHBondContact NH2-OD1 3.29Å; I458-N462 PolarHBondContact O-N 3.15Å; I458-N462 VanDerWaalsContact O-N 3.1Å; I458-N462 PolarHBondContact O-ND2 2.64Å; I459-N462 WeakPolarHBondContact O-CB 3.48Å; I459-N462 PolarHBondContact O-N 3.08Å; I459-N462 VanDerWaalsContact O-N 3.15Å; F460-N462 VanDerWaalsContact C-N 3.3Å; F460-N462 PolarHBondContact O-N 3.25Å; N462-Q464 VanDerWaalsContact C-N 3.25Å; N462-Q464 PolarHBondContact O-N 3.01Å; N462-N465 PolarHBondContact O-N 3.42Å; N462-N465 VanDerWaalsContact O-N 3.13Å; N462-D466 PolarHBondContact O-N 3.08Å
463	N	97.2	Very high	96.3	Very high	31 Å²	31	39.6 Å²	39.6	17%	0.166	20%	0.196	C	C	.	.	H	α-helix	trans	-60.1	-38.6	177.7	-70	-22.6	0	0	0	111.4	I459 F460 D466 L467 L508	I459-N463 PolarHBondContact O-N 3.44Å; F460-N463 PolarHBondContact O-N 3.14Å; N463-D466 PolarHBondContact O-N 3.23Å; N463-L467 WeakPolarHBondContact O-CB 3.43Å; N463-L467 PolarHBondContact O-N 3.31Å; N463-L508 HydrophobicContact CB-CB 4.17Å; N463-L508 HydrophobicContact CB-CD1 4.4Å; N463-L508 HydrophobicContact CB-CG 4.29Å
464	Q	97.8	Very high	96.5	Very high	3 Å²	3	33.7 Å²	33.7	1%	0.014	17%	0.173	C	C	.	.	H	α-helix	trans	-62	-46.4	174.8	-174.2	-172.2	49	0	0	111.3	N359 L441 T444 F460 N462 L467 E468 L508	N359-Q464 PolarHBondContact ND2-OE1 3.03Å; L441-Q464 HydrophobicContact CD2-CG 4.37Å; T444-Q464 PolarHBondContact OG1-NE2 3.45Å; F460-Q464 WeakPolarHBondContact O-CB 3.35Å; F460-Q464 PolarHBondContact O-N 3.2Å; N462-Q464 VanDerWaalsContact C-N 3.25Å; N462-Q464 PolarHBondContact O-N 3.01Å; Q464-L467 PolarHBondContact O-N 2.92Å; Q464-E468 WeakPolarHBondContact O-CB 3.46Å; Q464-E468 PolarHBondContact O-N 3.49Å; Q464-L508 HydrophobicContact CB-CD1 4.04Å
465	N	96.2	Very high	96.6	Very high	19 Å²	19	31.7 Å²	31.7	10%	0.102	16%	0.163	C	C	.	.	H	α-helix	trans	-62.7	-42	178.1	-177.8	72	0	0	0	112.1	E461 N462 E468 L469	E461-N465 WeakPolarHBondContact O-CB 3.48Å; E461-N465 PolarHBondContact O-N 2.86Å; N462-N465 PolarHBondContact O-N 3.42Å; N462-N465 VanDerWaalsContact O-N 3.13Å; N465-E468 PolarHBondContact O-N 3.2Å; N465-L469 WeakPolarHBondContact O-CB 3.41Å; N465-L469 PolarHBondContact O-N 3.07Å
466	D	96.6	Very high	96.5	Very high	52 Å²	52	25.5 Å²	25.5	28%	0.278	13%	0.13	S	C	.	.	H	α-helix	trans	-62.8	-42.8	176.2	-73.2	-2.9	0	0	0	112.2	N462 N463 S470 R504	N462-D466 PolarHBondContact O-N 3.08Å; N463-D466 PolarHBondContact O-N 3.23Å; D466-S470 WeakPolarHBondContact O-CB 3.26Å; D466-S470 PolarHBondContact O-N 2.96Å; D466-S470 VanDerWaalsContact O-N 3.09Å; D466-S470 PolarHBondContact O-OG 3.35Å; D466-R504 IonicContact OD2-CZ 2.88Å; D466-R504 IonicContact OD2-NH1 2.97Å; D466-R504 PolarHBondContact OD2-NH1 2.92Å
467	L	97.9	Very high	96.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.8	-42.4	175.7	176.7	58.7	0	0	0	111.1	C437 T440 L441 N463 Q464 S470 T471 R504 R505 L508	C437-L467 HydrophobicContact CB-CD1 4.12Å; T440-L467 HydrophobicContact CG2-CD2 4.39Å; L441-L467 HydrophobicContact CD1-CG 4.34Å; L441-L467 HydrophobicContact CD2-CB 4.32Å; L441-L467 HydrophobicContact CD2-CD2 3.98Å; L441-L467 HydrophobicContact CD2-CG 3.94Å; L441-L467 HydrophobicContact CG-CD2 3.97Å; L441-L467 HydrophobicContact CG-CG 4Å; N463-L467 WeakPolarHBondContact O-CB 3.43Å; N463-L467 PolarHBondContact O-N 3.31Å; Q464-L467 PolarHBondContact O-N 2.92Å; L467-S470 WeakPolarHBondContact CA-OG 3.5Å; L467-S470 PolarHBondContact O-OG 3.01Å; L467-T471 VanDerWaalsContact O-CB 3.27Å; L467-T471 WeakPolarHBondContact O-CB 3.44Å; L467-T471 PolarHBondContact O-N 3.18Å; L467-T471 PolarHBondContact O-OG1 2.88Å; L467-R504 HydrophobicContact CB-CB 4.3Å; L467-R504 HydrophobicContact CD1-CB 4.2Å; L467-R505 HydrophobicContact CD1-CB 3.84Å; L467-R505 HydrophobicContact CD2-CB 4.31Å; L467-R505 HydrophobicContact CD2-CG 4.48Å; L467-L508 HydrophobicContact CB-CD1 4.4Å; L467-L508 HydrophobicContact CD2-CD1 3.98Å
468	E	97.3	Very high	96.2	Very high	13 Å²	13	23.2 Å²	23.2	6%	0.061	12%	0.119	C	C	.	.	H	α-helix	trans	-62.1	-51.2	179.5	-166.5	165.7	140.8	0	0	110.7	H393 L441 Y445 Q464 N465 S470 T471 E472	H393-E468 IonicContact NE2-OE2 2.93Å; L441-E468 HydrophobicContact CD1-CB 4.44Å; L441-E468 HydrophobicContact CD1-CG 4.49Å; L441-E468 HydrophobicContact CD2-CB 3.93Å; L441-E468 HydrophobicContact CD2-CG 4.44Å; Y445-E468 PolarHBondContact OH-OE2 2.8Å; Q464-E468 WeakPolarHBondContact O-CB 3.46Å; Q464-E468 PolarHBondContact O-N 3.49Å; N465-E468 PolarHBondContact O-N 3.2Å; E468-S470 PolarHBondContact O-N 3.06Å; E468-T471 WeakPolarHBondContact O-CB 3.37Å; E468-T471 PolarHBondContact O-N 3.34Å; E468-T471 VanDerWaalsContact O-N 3.15Å; E468-E472 WeakPolarHBondContact O-CG 3.47Å; E468-E472 PolarHBondContact O-N 3.24Å
469	L	96.3	Very high	96	Very high	39 Å²	39	22.5 Å²	22.5	20%	0.204	11%	0.114	C	C	.	.	H	α-helix	trans	-58.2	-49.5	179	-174.3	72.5	0	0	0	112.1	H351 N465 T471 E472 E473	H351-L469 HydrophobicContact CB-CD1 4.25Å; N465-L469 WeakPolarHBondContact O-CB 3.41Å; N465-L469 PolarHBondContact O-N 3.07Å; L469-T471 VanDerWaalsContact C-N 3.27Å; L469-T471 PolarHBondContact O-N 3.1Å; L469-E472 PolarHBondContact O-N 3.24Å; L469-E473 WeakPolarHBondContact O-CG 3.3Å; L469-E473 PolarHBondContact O-N 3.21Å
470	S	97.2	Very high	95.5	Very high	4 Å²	4	23.3 Å²	23.3	3%	0.028	11%	0.113	C	C	.	.	H	α-helix	trans	-60.9	-38.1	178.4	54.1	0	0	0	0	112.2	D466 L467 E468 E473 L474 C501	D466-S470 WeakPolarHBondContact O-CB 3.26Å; D466-S470 PolarHBondContact O-N 2.96Å; D466-S470 VanDerWaalsContact O-N 3.09Å; D466-S470 PolarHBondContact O-OG 3.35Å; L467-S470 WeakPolarHBondContact CA-OG 3.5Å; L467-S470 PolarHBondContact O-OG 3.01Å; E468-S470 PolarHBondContact O-N 3.06Å; S470-E473 PolarHBondContact O-N 2.92Å; S470-L474 PolarHBondContact O-N 3.23Å; S470-C501 PolarHBondContact O-SG 3.46Å
471	T	98	Very high	94.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.1	-43.2	175.3	-58.5	0	0	0	0	111.7	L434 C437 R438 L441 L467 E468 L469 L474 S475	L434-T471 HydrophobicContact CD1-CG2 3.64Å; C437-T471 HydrophobicContact CB-CG2 4.18Å; C437-T471 WeakPolarHBondContact CB-OG1 3.41Å; R438-T471 HydrophobicContact CG-CG2 3.92Å; L441-T471 HydrophobicContact CD1-CG2 3.9Å; L467-T471 VanDerWaalsContact O-CB 3.27Å; L467-T471 WeakPolarHBondContact O-CB 3.44Å; L467-T471 PolarHBondContact O-N 3.18Å; L467-T471 PolarHBondContact O-OG1 2.88Å; E468-T471 WeakPolarHBondContact O-CB 3.37Å; E468-T471 PolarHBondContact O-N 3.34Å; E468-T471 VanDerWaalsContact O-N 3.15Å; L469-T471 VanDerWaalsContact C-N 3.27Å; L469-T471 PolarHBondContact O-N 3.1Å; T471-L474 PolarHBondContact O-N 3.2Å; T471-S475 VanDerWaalsContact O-CB 3.29Å; T471-S475 WeakPolarHBondContact O-CB 3.22Å; T471-S475 PolarHBondContact O-N 3.09Å
472	E	97.1	Very high	93.6	Very high	6 Å²	6	25.8 Å²	25.8	3%	0.028	13%	0.126	C	C	.	.	H	α-helix	trans	-66.8	-37.8	177.7	-60.9	-54	160.6	0	0	112.4	N327 W348 H393 R438 E468 L469 S475 G476	N327-E472 HydrophobicContact CB-CG 4.46Å; N327-E472 PolarHBondContact N-OE2 3.13Å; N327-E472 PolarHBondContact ND2-OE1 3.03Å; W348-E472 HydrophobicContact CH2-CB 3.8Å; W348-E472 HydrophobicContact CH2-CG 3.94Å; W348-E472 HydrophobicContact CZ2-CB 4.04Å; H393-E472 IonicContact CE1-OE1 2.82Å; R438-E472 IonicContact CZ-OE1 3.48Å; R438-E472 IonicContact CZ-OE2 3.04Å; R438-E472 IonicContact NH1-OE1 2.72Å; R438-E472 PolarHBondContact NH1-OE1 3.28Å; R438-E472 IonicContact NH1-OE2 2.88Å; R438-E472 VanDerWaalsContact NH2-CD 3.33Å; R438-E472 IonicContact NH2-OE1 3.46Å; R438-E472 PolarHBondContact NH2-OE1 3.06Å; R438-E472 IonicContact NH2-OE2 3.78Å; R438-E472 PolarHBondContact NH2-OE2 2.89Å; E468-E472 WeakPolarHBondContact O-CG 3.47Å; E468-E472 PolarHBondContact O-N 3.24Å; L469-E472 PolarHBondContact O-N 3.24Å; E472-S475 PolarHBondContact O-N 3.28Å; E472-G476 PolarHBondContact O-N 2.98Å
473	E	95.4	Very high	92.4	Very high	89 Å²	89	27 Å²	27	42%	0.416	14%	0.14	S	C	.	.	H	α-helix	trans	-63.3	-41.8	173.8	-76	-174.2	-159.3	0	0	112.7	L469 S470 F477 K497	L469-E473 WeakPolarHBondContact O-CG 3.3Å; L469-E473 PolarHBondContact O-N 3.21Å; S470-E473 PolarHBondContact O-N 2.92Å; E473-F477 VanDerWaalsContact O-CB 3.26Å; E473-F477 WeakPolarHBondContact O-CB 3.45Å; E473-F477 PolarHBondContact O-N 2.9Å; E473-F477 VanDerWaalsContact O-N 3.09Å; E473-K497 IonicContact OE2-NZ 3.56Å; E473-K497 PolarHBondContact OE2-NZ 3Å
474	L	96.5	Very high	90.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-67.3	-45.6	176	177.4	62	0	0	0	111	L434 S470 T471 F477 L478 K497 C501	L434-L474 HydrophobicContact CB-CD2 3.9Å; L434-L474 HydrophobicContact CB-CG 4.42Å; L434-L474 HydrophobicContact CD1-CD2 4.5Å; S470-L474 PolarHBondContact O-N 3.23Å; T471-L474 PolarHBondContact O-N 3.2Å; L474-F477 PolarHBondContact O-N 2.73Å; L474-L478 HydrophobicContact CD1-CD1 4Å; L474-L478 HydrophobicContact CD1-CG 4.18Å; L474-L478 HydrophobicContact CG-CD1 4.1Å; L474-L478 WeakPolarHBondContact O-CG 3.44Å; L474-L478 PolarHBondContact O-N 2.61Å; L474-K497 HydrophobicContact CD1-CB 3.92Å; L474-C501 HydrophobicContact CD2-CB 4.37Å
475	S	96.6	Very high	89.5	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.5	-50.4	177.7	-177.3	0	0	0	0	111.4	C326 E400 T471 E472 F477 L478 E479	C326-S475 WeakPolarHBondContact CA-OG 3.44Å; C326-S475 WeakPolarHBondContact CB-OG 3.44Å; C326-S475 PolarHBondContact N-OG 2.8Å; E400-S475 WeakPolarHBondContact OE1-CB 3.4Å; E400-S475 PolarHBondContact OE1-OG 3.29Å; T471-S475 VanDerWaalsContact O-CB 3.29Å; T471-S475 WeakPolarHBondContact O-CB 3.22Å; T471-S475 PolarHBondContact O-N 3.09Å; E472-S475 PolarHBondContact O-N 3.28Å; S475-F477 VanDerWaalsContact C-N 3.33Å; S475-F477 PolarHBondContact O-N 3.26Å; S475-L478 PolarHBondContact O-N 2.85Å; S475-E479 WeakPolarHBondContact O-CB 3.41Å; S475-E479 WeakPolarHBondContact O-CG 3.4Å; S475-E479 PolarHBondContact O-N 3.47Å
476	G	93.7	Very high	88.7	Confident	2 Å²	2	38.6 Å²	38.6	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-61	-40.8	178.7	0	0	0	0	0	112.7	C326 E472 E479 R480	C326-G476 VanDerWaalsContact SG-CA 3.54Å; E472-G476 PolarHBondContact O-N 2.98Å; G476-E479 PolarHBondContact O-N 3.49Å; G476-R480 PolarHBondContact O-N 2.83Å
477	F	93	Very high	87.8	Confident	1 Å²	1	39.8 Å²	39.8	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-63.6	-43.3	176.8	-173.7	-93.6	0	0	0	112.2	E473 L474 S475 D481 I482 D485 L490 R493 V494 K497	E473-F477 VanDerWaalsContact O-CB 3.26Å; E473-F477 WeakPolarHBondContact O-CB 3.45Å; E473-F477 PolarHBondContact O-N 2.9Å; E473-F477 VanDerWaalsContact O-N 3.09Å; L474-F477 PolarHBondContact O-N 2.73Å; S475-F477 VanDerWaalsContact C-N 3.33Å; S475-F477 PolarHBondContact O-N 3.26Å; F477-D481 HydrophobicContact CD2-CB 3.55Å; F477-D481 HydrophobicContact CE2-CB 3.75Å; F477-D481 HydrophobicContact CG-CB 4.29Å; F477-D481 PolarHBondContact O-N 2.92Å; F477-D481 VanDerWaalsContact O-N 3.14Å; F477-I482 PolarHBondContact O-N 3.04Å; F477-D485 WeakPolarHBondContact CZ-OD2 3.26Å; F477-L490 HydrophobicContact CE1-CD1 3.77Å; F477-L490 HydrophobicContact CZ-CD1 3.85Å; F477-R493 HydrophobicContact CE2-CB 4.47Å; F477-R493 HydrophobicContact CZ-CB 4.08Å; F477-V494 HydrophobicContact CD1-CG2 4.01Å; F477-V494 HydrophobicContact CE1-CG2 3.41Å; F477-V494 VanDerWaalsContact CE1-CG2 3.41Å; F477-V494 HydrophobicContact CZ-CG2 4.42Å; F477-K497 HydrophobicContact CB-CD 3.93Å; F477-K497 HydrophobicContact CD1-CD 4.48Å; F477-K497 HydrophobicContact CD2-CD 4.42Å; F477-K497 HydrophobicContact CG-CD 3.99Å
478	L	92.4	Very high	87	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-71	-31.3	178.4	-68.2	175.8	0	0	0	112.9	L403 A430 V431 L434 L474 S475 I482	L403-L478 HydrophobicContact CD1-CB 4.3Å; A430-L478 HydrophobicContact CB-CD1 4.3Å; A430-L478 HydrophobicContact CB-CD2 4.38Å; V431-L478 HydrophobicContact CG2-CD1 4.3Å; L434-L478 HydrophobicContact CD2-CD1 3.95Å; L474-L478 HydrophobicContact CD1-CD1 4Å; L474-L478 HydrophobicContact CD1-CG 4.18Å; L474-L478 HydrophobicContact CG-CD1 4.1Å; L474-L478 WeakPolarHBondContact O-CG 3.44Å; L474-L478 PolarHBondContact O-N 2.61Å; S475-L478 PolarHBondContact O-N 2.85Å; L478-I482 HydrophobicContact CD2-CD1 4.17Å
479	E	90.7	Very high	86.4	Confident	52 Å²	52	47.4 Å²	47.4	24%	0.243	25%	0.25	C	C	.	.	H	α-helix	trans	-82.3	-34.4	-179.4	-76	-172.3	174.1	0	0	114.1	G324 G325 C326 L403 S475 G476	G324-E479 WeakPolarHBondContact CA-OE1 3.48Å; G325-E479 PolarHBondContact N-OE1 3.32Å; C326-E479 WeakPolarHBondContact CB-OE2 3.41Å; C326-E479 PolarHBondContact N-OE2 3.32Å; L403-E479 HydrophobicContact CD1-CG 4.35Å; L403-E479 HydrophobicContact CD2-CG 4Å; S475-E479 WeakPolarHBondContact O-CB 3.41Å; S475-E479 WeakPolarHBondContact O-CG 3.4Å; S475-E479 PolarHBondContact O-N 3.47Å; G476-E479 PolarHBondContact O-N 3.49Å
480	R	84.6	Confident	86	Confident	92 Å²	92	45.6 Å²	45.6	35%	0.347	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-51.5	-171.2	-59.3	-175.4	-61.9	-123.4	7.1	113.2	H328 G476	H328-R480 PolarHBondContact ND1-NH2 3.43Å; H328-R480 PolarHBondContact O-NH1 3.38Å; G476-R480 PolarHBondContact O-N 2.83Å
481	D	78.7	Confident	85.6	Confident	55 Å²	55	48.5 Å²	48.5	29%	0.294	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-87	-13.7	-162.8	-52.6	-17	0	0	0	113.3	F477 S483 E484	F477-D481 HydrophobicContact CD2-CB 3.55Å; F477-D481 HydrophobicContact CE2-CB 3.75Å; F477-D481 HydrophobicContact CG-CB 4.29Å; F477-D481 PolarHBondContact O-N 2.92Å; F477-D481 VanDerWaalsContact O-N 3.14Å; D481-S483 PolarHBondContact O-N 3.23Å; D481-E484 PolarHBondContact O-N 3.38Å
482	I	77.5	Confident	85.2	Confident	12 Å²	12	53.1 Å²	53.1	6%	0.062	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-58.7	-15.2	-178.1	-160.9	169.7	0	0	0	114.6	K410 L427 F477 L478 L490	K410-I482 PolarHBondContact NZ-O 3.09Å; L427-I482 HydrophobicContact CD2-CD1 4.03Å; F477-I482 PolarHBondContact O-N 3.04Å; L478-I482 HydrophobicContact CD2-CD1 4.17Å; I482-L490 HydrophobicContact CG1-CD1 3.98Å
483	S	70.3	Confident	84.9	Confident	93 Å²	93	57.4 Å²	57.4	65%	0.65	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-90.8	-12.9	-176.8	-60.7	0	0	0	0	114.1	D481	D481-S483 PolarHBondContact O-N 3.23Å
484	E	66	Low	84.8	Confident	163 Å²	163	53.1 Å²	53.1	76%	0.762	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-14.8	-165.6	-59.8	-171.3	169.4	0	0	114.7	D481	D481-E484 PolarHBondContact O-N 3.38Å
485	D	66.9	Low	84.7	Confident	41 Å²	41	54.6 Å²	54.6	22%	0.219	28%	0.277	C	S	.	.	S	Bend	trans	-96.6	149.5	-172.5	-70.9	-25.2	0	0	0	114.2	F477 L490 R493	F477-D485 WeakPolarHBondContact CZ-OD2 3.26Å; D485-L490 HydrophobicContact CB-CB 4.01Å; D485-R493 IonicContact OD1-NH1 3.8Å; D485-R493 PolarHBondContact OD1-NH1 3.01Å; D485-R493 WeakPolarHBondContact OD2-CD 3.25Å; D485-R493 IonicContact OD2-CZ 3.71Å; D485-R493 IonicContact OD2-NE 3.9Å; D485-R493 IonicContact OD2-NH1 2.8Å; D485-R493 PolarHBondContact OD2-NH1 2.81Å
486	D	79.4	Confident	84.7	Confident	93 Å²	93	58.2 Å²	58.2	50%	0.497	30%	0.296	S	S	.	.			trans	-63.5	154.4	163.3	72.6	-92.3	0	0	0	111.2	V488 T489 L490	D486-V488 VanDerWaalsContact C-N 3.29Å; D486-V488 PolarHBondContact O-N 3.02Å; D486-V488 PolarHBondContact OD2-N 3.39Å; D486-T489 PolarHBondContact O-N 3.43Å; D486-T489 WeakPolarHBondContact OD1-CB 3.32Å; D486-T489 PolarHBondContact OD1-OG1 3.26Å; D486-T489 PolarHBondContact OD2-N 3.32Å; D486-T489 PolarHBondContact OD2-OG1 2.79Å; D486-T489 VanDerWaalsContact OD2-OG1 3.12Å; D486-L490 VanDerWaalsContact O-CB 3.26Å; D486-L490 WeakPolarHBondContact O-CB 3.22Å; D486-L490 PolarHBondContact O-N 3.37Å
487	L	78.9	Confident	84.8	Confident	77 Å²	77	60.4 Å²	60.4	40%	0.403	31%	0.305	S	S	.	.	H	α-helix	trans	-61.2	-33.1	-169.9	-65.4	176.8	0	0	0	114.1	I414 M419 K491	I414-L487 HydrophobicContact CB-CD2 4.41Å; I414-L487 HydrophobicContact CD1-CD2 3.88Å; I414-L487 HydrophobicContact CG1-CD2 3.68Å; I414-L487 HydrophobicContact CG2-CD1 4.3Å; I414-L487 HydrophobicContact CG2-CD2 3.95Å; M419-L487 HydrophobicContact SD-CB 4.36Å; M419-L487 HydrophobicContact SD-CD1 4.4Å; L487-K491 WeakPolarHBondContact O-CB 3.41Å; L487-K491 PolarHBondContact O-N 3.39Å; L487-K491 VanDerWaalsContact O-N 3.11Å
488	V	80.6	Confident	85	Confident	116 Å²	116	60.8 Å²	60.8	70%	0.703	31%	0.307	S	S	*	.	H	α-helix	trans	-73.9	-48.6	-178.4	178.8	0	0	0	0	109.5	D486 L490 K491 Q492	D486-V488 VanDerWaalsContact C-N 3.29Å; D486-V488 PolarHBondContact O-N 3.02Å; D486-V488 PolarHBondContact OD2-N 3.39Å; V488-L490 VanDerWaalsContact C-N 3.32Å; V488-L490 PolarHBondContact O-N 3.07Å; V488-K491 PolarHBondContact O-N 3.01Å; V488-Q492 PolarHBondContact O-N 3.23Å; V488-Q492 VanDerWaalsContact O-N 3.17Å
489	T	85.7	Confident	85.2	Confident	56 Å²	56	66.1 Å²	66.1	34%	0.344	33%	0.327	S	S	.	.	H	α-helix	trans	-61.8	-42	176.2	-57	0	0	0	0	111.1	D486 K491 Q492 R493	D486-T489 PolarHBondContact O-N 3.43Å; D486-T489 WeakPolarHBondContact OD1-CB 3.32Å; D486-T489 PolarHBondContact OD1-OG1 3.26Å; D486-T489 PolarHBondContact OD2-N 3.32Å; D486-T489 PolarHBondContact OD2-OG1 2.79Å; D486-T489 VanDerWaalsContact OD2-OG1 3.12Å; T489-K491 PolarHBondContact O-N 3.16Å; T489-Q492 PolarHBondContact O-N 2.78Å; T489-R493 HydrophobicContact CG2-CG 4.17Å; T489-R493 WeakPolarHBondContact O-CB 3.38Å; T489-R493 VanDerWaalsContact O-CG 3.32Å; T489-R493 WeakPolarHBondContact O-CG 3.43Å; T489-R493 PolarHBondContact O-N 3.37Å
490	L	86.8	Confident	85.6	Confident	1 Å²	1	68 Å²	68	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-58	-48	176.5	177.6	62.5	0	0	0	111.6	I414 F477 I482 D485 D486 V488 Q492 R493 V494	I414-L490 HydrophobicContact CD1-CD2 4.36Å; F477-L490 HydrophobicContact CE1-CD1 3.77Å; F477-L490 HydrophobicContact CZ-CD1 3.85Å; I482-L490 HydrophobicContact CG1-CD1 3.98Å; D485-L490 HydrophobicContact CB-CB 4.01Å; D486-L490 VanDerWaalsContact O-CB 3.26Å; D486-L490 WeakPolarHBondContact O-CB 3.22Å; D486-L490 PolarHBondContact O-N 3.37Å; V488-L490 VanDerWaalsContact C-N 3.32Å; V488-L490 PolarHBondContact O-N 3.07Å; L490-Q492 PolarHBondContact O-N 3.48Å; L490-R493 PolarHBondContact O-N 3.04Å; L490-V494 HydrophobicContact CD1-CG2 3.83Å; L490-V494 HydrophobicContact CG-CG2 4.41Å; L490-V494 WeakPolarHBondContact O-CB 3.44Å; L490-V494 VanDerWaalsContact O-CG2 3.25Å; L490-V494 WeakPolarHBondContact O-CG2 3.41Å; L490-V494 PolarHBondContact O-N 2.93Å
491	K	88.1	Confident	86.2	Confident	65 Å²	65	63.7 Å²	63.7	28%	0.283	32%	0.316	S	S	.	.	H	α-helix	trans	-59	-47.6	179.4	-177.2	178.4	179.6	179.5	0	111.5	M419 F426 L487 V488 T489 Q495	M419-K491 HydrophobicContact CE-CD 4.31Å; F426-K491 HydrophobicContact CD1-CG 4.18Å; F426-K491 HydrophobicContact CE1-CB 4.22Å; F426-K491 HydrophobicContact CE1-CG 4.02Å; F426-K491 HydrophobicContact CE2-CB 4.29Å; F426-K491 HydrophobicContact CE2-CG 4.41Å; F426-K491 HydrophobicContact CG-CG 4.43Å; F426-K491 HydrophobicContact CZ-CB 3.93Å; F426-K491 HydrophobicContact CZ-CG 4.14Å; L487-K491 WeakPolarHBondContact O-CB 3.41Å; L487-K491 PolarHBondContact O-N 3.39Å; L487-K491 VanDerWaalsContact O-N 3.11Å; V488-K491 PolarHBondContact O-N 3.01Å; T489-K491 PolarHBondContact O-N 3.16Å; K491-Q495 WeakPolarHBondContact O-CB 3.46Å; K491-Q495 VanDerWaalsContact O-CG 3.25Å; K491-Q495 WeakPolarHBondContact O-CG 3.26Å; K491-Q495 PolarHBondContact O-N 3.33Å; K491-Q495 VanDerWaalsContact O-N 3.1Å
492	Q	90.3	Very high	87.1	Confident	98 Å²	98	65 Å²	65	46%	0.458	32%	0.32	S	S	.	.	H	α-helix	trans	-63.1	-51.5	-179.9	-174.2	61.8	34.6	0	0	111.3	V488 T489 L490 V494 Q495 D496	V488-Q492 PolarHBondContact O-N 3.23Å; V488-Q492 VanDerWaalsContact O-N 3.17Å; T489-Q492 PolarHBondContact O-N 2.78Å; L490-Q492 PolarHBondContact O-N 3.48Å; Q492-V494 PolarHBondContact O-N 3.47Å; Q492-Q495 PolarHBondContact O-N 3.17Å; Q492-D496 PolarHBondContact NE2-OD1 3.11Å; Q492-D496 PolarHBondContact NE2-OD2 3.44Å; Q492-D496 VanDerWaalsContact O-CG 3.29Å; Q492-D496 PolarHBondContact O-N 3.46Å
493	R	92	Very high	88.1	Confident	95 Å²	95	70.1 Å²	70.1	36%	0.358	34%	0.344	S	S	.	.	H	α-helix	trans	-60.3	-43.9	-177.8	-71.3	179.9	71.8	-175.9	4.7	112.7	F477 D485 T489 L490 K497	F477-R493 HydrophobicContact CE2-CB 4.47Å; F477-R493 HydrophobicContact CZ-CB 4.08Å; D485-R493 IonicContact OD1-NH1 3.8Å; D485-R493 PolarHBondContact OD1-NH1 3.01Å; D485-R493 WeakPolarHBondContact OD2-CD 3.25Å; D485-R493 IonicContact OD2-CZ 3.71Å; D485-R493 IonicContact OD2-NE 3.9Å; D485-R493 IonicContact OD2-NH1 2.8Å; D485-R493 PolarHBondContact OD2-NH1 2.81Å; T489-R493 HydrophobicContact CG2-CG 4.17Å; T489-R493 WeakPolarHBondContact O-CB 3.38Å; T489-R493 VanDerWaalsContact O-CG 3.32Å; T489-R493 WeakPolarHBondContact O-CG 3.43Å; T489-R493 PolarHBondContact O-N 3.37Å; L490-R493 PolarHBondContact O-N 3.04Å; R493-K497 WeakPolarHBondContact O-CB 3.46Å; R493-K497 WeakPolarHBondContact O-CG 3.26Å; R493-K497 PolarHBondContact O-N 3.31Å; R493-K497 VanDerWaalsContact O-N 3.08Å
494	V	92.8	Very high	89.4	Confident	0 Å²	0	69 Å²	69	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-64	-44.9	177.4	174.3	0	0	0	0	110.6	F426 L427 A430 F477 L490 Q492 K497 Y498	F426-V494 HydrophobicContact CD2-CB 3.85Å; F426-V494 HydrophobicContact CD2-CG1 3.66Å; F426-V494 HydrophobicContact CE2-CB 3.77Å; F426-V494 HydrophobicContact CE2-CG1 3.96Å; F426-V494 HydrophobicContact CE2-CG2 4.06Å; L427-V494 HydrophobicContact CD2-CG1 4.41Å; L427-V494 HydrophobicContact CD2-CG2 4.19Å; A430-V494 HydrophobicContact CB-CG1 3.44Å; A430-V494 VanDerWaalsContact CB-CG1 3.44Å; F477-V494 HydrophobicContact CD1-CG2 4.01Å; F477-V494 HydrophobicContact CE1-CG2 3.41Å; F477-V494 VanDerWaalsContact CE1-CG2 3.41Å; F477-V494 HydrophobicContact CZ-CG2 4.42Å; L490-V494 HydrophobicContact CD1-CG2 3.83Å; L490-V494 HydrophobicContact CG-CG2 4.41Å; L490-V494 WeakPolarHBondContact O-CB 3.44Å; L490-V494 VanDerWaalsContact O-CG2 3.25Å; L490-V494 WeakPolarHBondContact O-CG2 3.41Å; L490-V494 PolarHBondContact O-N 2.93Å; Q492-V494 PolarHBondContact O-N 3.47Å; V494-K497 PolarHBondContact O-N 3.47Å; V494-Y498 HydrophobicContact CG1-CD1 4.01Å; V494-Y498 HydrophobicContact CG1-CE1 4.47Å; V494-Y498 WeakPolarHBondContact O-CD1 3.18Å; V494-Y498 PolarHBondContact O-N 3.33Å
495	Q	94.1	Very high	91	Very high	31 Å²	31	63.1 Å²	63.1	15%	0.145	30%	0.296	C	S	.	.	H	α-helix	trans	-62.1	-44.7	179.7	-74.9	-170.7	-4	0	0	112.7	F426 K491 Q492 Y498 R499	F426-Q495 HydrophobicContact CB-CG 4.23Å; F426-Q495 HydrophobicContact CD2-CG 4.43Å; K491-Q495 WeakPolarHBondContact O-CB 3.46Å; K491-Q495 VanDerWaalsContact O-CG 3.25Å; K491-Q495 WeakPolarHBondContact O-CG 3.26Å; K491-Q495 PolarHBondContact O-N 3.33Å; K491-Q495 VanDerWaalsContact O-N 3.1Å; Q492-Q495 PolarHBondContact O-N 3.17Å; Q495-Y498 VanDerWaalsContact CA-CE1 3.43Å; Q495-Y498 HydrophobicContact CB-CE1 4.09Å; Q495-Y498 HydrophobicContact CG-CE1 3.75Å; Q495-R499 VanDerWaalsContact O-CB 3.23Å; Q495-R499 WeakPolarHBondContact O-CB 3.05Å; Q495-R499 WeakPolarHBondContact O-CD 3.26Å; Q495-R499 WeakPolarHBondContact O-CG 3.41Å; Q495-R499 PolarHBondContact O-N 2.9Å
496	D	95.7	Very high	92.5	Very high	76 Å²	76	67.5 Å²	67.5	41%	0.406	31%	0.313	S	S	.	.	H	α-helix	trans	-64.2	-44.4	179.4	-66.4	-20.5	0	0	0	110.9	Q492 Y500	Q492-D496 PolarHBondContact NE2-OD1 3.11Å; Q492-D496 PolarHBondContact NE2-OD2 3.44Å; Q492-D496 VanDerWaalsContact O-CG 3.29Å; Q492-D496 PolarHBondContact O-N 3.46Å; D496-Y500 WeakPolarHBondContact O-CB 3.45Å; D496-Y500 PolarHBondContact O-N 3.18Å
497	K	96.2	Very high	93.3	Very high	48 Å²	48	65.1 Å²	65.1	21%	0.209	31%	0.307	C	S	.	.	H	α-helix	trans	-63.6	-50	179	-75.1	-174.4	174.1	-66.3	0	113	E473 L474 F477 R493 V494 Y500 C501	E473-K497 IonicContact OE2-NZ 3.56Å; E473-K497 PolarHBondContact OE2-NZ 3Å; L474-K497 HydrophobicContact CD1-CB 3.92Å; F477-K497 HydrophobicContact CB-CD 3.93Å; F477-K497 HydrophobicContact CD1-CD 4.48Å; F477-K497 HydrophobicContact CD2-CD 4.42Å; F477-K497 HydrophobicContact CG-CD 3.99Å; R493-K497 WeakPolarHBondContact O-CB 3.46Å; R493-K497 WeakPolarHBondContact O-CG 3.26Å; R493-K497 PolarHBondContact O-N 3.31Å; R493-K497 VanDerWaalsContact O-N 3.08Å; V494-K497 PolarHBondContact O-N 3.47Å; K497-Y500 PolarHBondContact O-N 3.4Å; K497-C501 PolarHBondContact O-N 3.13Å; K497-C501 PolarHBondContact O-SG 3.12Å
498	Y	96.9	Very high	94.3	Very high	9 Å²	9	61.4 Å²	61.4	4%	0.035	29%	0.287	C	S	.	.	H	α-helix	trans	-70.9	-34.9	-178.5	81.7	-114.9	0	0	0	112	F426 K429 A430 V433 V494 Q495 Y500 C501 E502	F426-Y498 HydrophobicContact CB-CE1 4.45Å; K429-Y498 HydrophobicContact CD-CE2 3.9Å; K429-Y498 HydrophobicContact CG-CE2 4.21Å; A430-Y498 HydrophobicContact CB-CD1 3.79Å; A430-Y498 HydrophobicContact CB-CG 4.35Å; V433-Y498 WeakPolarHBondContact CG1-O 3.42Å; V433-Y498 HydrophobicContact CG2-CD2 4.05Å; V494-Y498 HydrophobicContact CG1-CD1 4.01Å; V494-Y498 HydrophobicContact CG1-CE1 4.47Å; V494-Y498 WeakPolarHBondContact O-CD1 3.18Å; V494-Y498 PolarHBondContact O-N 3.33Å; Q495-Y498 VanDerWaalsContact CA-CE1 3.43Å; Q495-Y498 HydrophobicContact CB-CE1 4.09Å; Q495-Y498 HydrophobicContact CG-CE1 3.75Å; Y498-Y500 VanDerWaalsContact C-N 3.31Å; Y498-Y500 PolarHBondContact O-N 2.9Å; Y498-C501 PolarHBondContact O-N 2.9Å; Y498-E502 WeakPolarHBondContact O-CB 3.47Å; Y498-E502 PolarHBondContact O-N 2.91Å
499	R	98	Very high	95.1	Very high	116 Å²	116	57.6 Å²	57.6	44%	0.438	26%	0.263	S	S	.	.	H	α-helix	trans	-63.8	-40.3	175.9	-75.3	174.4	-177.9	156.8	3.4	111.2	Q495 E502 Q503	Q495-R499 VanDerWaalsContact O-CB 3.23Å; Q495-R499 WeakPolarHBondContact O-CB 3.05Å; Q495-R499 WeakPolarHBondContact O-CD 3.26Å; Q495-R499 WeakPolarHBondContact O-CG 3.41Å; Q495-R499 PolarHBondContact O-N 2.9Å; R499-E502 PolarHBondContact O-N 2.88Å; R499-Q503 WeakPolarHBondContact O-CB 3.31Å; R499-Q503 PolarHBondContact O-N 3.48Å
500	Y	97.9	Very high	95.7	Very high	92 Å²	92	58.1 Å²	58.1	36%	0.361	26%	0.264	S	S	.	.	H	α-helix	trans	-64.2	-43.2	175.4	-174	-112.1	0	0	0	112	D496 K497 Y498 E502 Q503 R504	D496-Y500 WeakPolarHBondContact O-CB 3.45Å; D496-Y500 PolarHBondContact O-N 3.18Å; K497-Y500 PolarHBondContact O-N 3.4Å; Y498-Y500 VanDerWaalsContact C-N 3.31Å; Y498-Y500 PolarHBondContact O-N 2.9Å; Y500-E502 PolarHBondContact O-N 2.79Å; Y500-Q503 PolarHBondContact O-N 2.88Å; Y500-R504 HydrophobicContact CD1-CG 4.38Å; Y500-R504 HydrophobicContact CE1-CG 4.02Å; Y500-R504 HydrophobicContact CE2-CG 4.24Å; Y500-R504 VanDerWaalsContact CE2-NE 3.32Å; Y500-R504 VanDerWaalsContact CZ-NE 3.29Å; Y500-R504 WeakPolarHBondContact O-CG 3.5Å; Y500-R504 PolarHBondContact O-N 2.76Å; Y500-R504 PolarHBondContact OH-NE 3.33Å; Y500-R504 VanDerWaalsContact OH-NE 3.11Å; Y500-R504 PolarHBondContact OH-NH2 2.95Å
501	C	97.9	Very high	96.2	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.007	27%	0.267	C	S	.	.	H	α-helix	trans	-58.5	-47.5	173.7	-67	0	0	0	0	111.9	V433 S470 L474 K497 Y498 Q503 R504 R505	V433-C501 HydrophobicContact CG1-CB 4.12Å; S470-C501 PolarHBondContact O-SG 3.46Å; L474-C501 HydrophobicContact CD2-CB 4.37Å; K497-C501 PolarHBondContact O-N 3.13Å; K497-C501 PolarHBondContact O-SG 3.12Å; Y498-C501 PolarHBondContact O-N 2.9Å; C501-Q503 VanDerWaalsContact C-N 3.31Å; C501-Q503 PolarHBondContact O-N 2.75Å; C501-R504 PolarHBondContact O-N 2.72Å; C501-R505 WeakPolarHBondContact O-CB 3.3Å; C501-R505 PolarHBondContact O-N 3.38Å
502	E	97.6	Very high	96.6	Very high	81 Å²	81	56 Å²	56	38%	0.379	26%	0.255	S	S	.	.	H	α-helix	trans	-60.1	-42.1	178.2	-172.6	172	-120	0	0	111.3	V433 Y498 R499 Y500 R505 K506	V433-E502 HydrophobicContact CG1-CB 4.16Å; Y498-E502 WeakPolarHBondContact O-CB 3.47Å; Y498-E502 PolarHBondContact O-N 2.91Å; R499-E502 PolarHBondContact O-N 2.88Å; Y500-E502 PolarHBondContact O-N 2.79Å; E502-R505 PolarHBondContact O-N 3.01Å; E502-K506 WeakPolarHBondContact O-CB 3.48Å; E502-K506 PolarHBondContact O-N 2.72Å
503	Q	98.2	Very high	96.8	Very high	121 Å²	121	56 Å²	56	57%	0.565	26%	0.255	S	S	*	.	H	α-helix	trans	-63.1	-44.7	175.5	-172.5	-179.2	16.4	0	0	112.2	R499 Y500 C501 K506 A507	R499-Q503 WeakPolarHBondContact O-CB 3.31Å; R499-Q503 PolarHBondContact O-N 3.48Å; Y500-Q503 PolarHBondContact O-N 2.88Å; C501-Q503 VanDerWaalsContact C-N 3.31Å; C501-Q503 PolarHBondContact O-N 2.75Å; Q503-K506 PolarHBondContact O-N 2.9Å; Q503-A507 WeakPolarHBondContact O-CB 3.28Å; Q503-A507 PolarHBondContact O-N 2.98Å
504	R	98.2	Very high	97	Very high	68 Å²	68	55.8 Å²	55.8	26%	0.257	26%	0.258	S	S	.	.	H	α-helix	trans	-67.3	-38	178.3	-67.2	-64.3	157.2	174	-12.7	112.3	D466 L467 Y500 C501 A507 L508	D466-R504 IonicContact OD2-CZ 2.88Å; D466-R504 IonicContact OD2-NH1 2.97Å; D466-R504 PolarHBondContact OD2-NH1 2.92Å; L467-R504 HydrophobicContact CB-CB 4.3Å; L467-R504 HydrophobicContact CD1-CB 4.2Å; Y500-R504 HydrophobicContact CD1-CG 4.38Å; Y500-R504 HydrophobicContact CE1-CG 4.02Å; Y500-R504 HydrophobicContact CE2-CG 4.24Å; Y500-R504 VanDerWaalsContact CE2-NE 3.32Å; Y500-R504 VanDerWaalsContact CZ-NE 3.29Å; Y500-R504 WeakPolarHBondContact O-CG 3.5Å; Y500-R504 PolarHBondContact O-N 2.76Å; Y500-R504 PolarHBondContact OH-NE 3.33Å; Y500-R504 VanDerWaalsContact OH-NE 3.11Å; Y500-R504 PolarHBondContact OH-NH2 2.95Å; C501-R504 PolarHBondContact O-N 2.72Å; R504-A507 PolarHBondContact O-N 3.43Å; R504-L508 WeakPolarHBondContact O-CB 3.25Å; R504-L508 PolarHBondContact O-N 3.17Å
505	R	98.4	Very high	97.2	Very high	41 Å²	41	55.8 Å²	55.8	16%	0.155	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-46.5	172.9	-176.4	-172.5	167.9	-144.5	3.9	110.7	D436 T440 L467 C501 E502 L508 L509	D436-R505 IonicContact OD2-CZ 2.68Å; D436-R505 IonicContact OD2-NH1 2.72Å; D436-R505 PolarHBondContact OD2-NH1 3.14Å; D436-R505 IonicContact OD2-NH2 3.63Å; T440-R505 HydrophobicContact CG2-CG 4.17Å; T440-R505 PolarHBondContact OG1-NE 3.41Å; L467-R505 HydrophobicContact CD1-CB 3.84Å; L467-R505 HydrophobicContact CD2-CB 4.31Å; L467-R505 HydrophobicContact CD2-CG 4.48Å; C501-R505 WeakPolarHBondContact O-CB 3.3Å; C501-R505 PolarHBondContact O-N 3.38Å; E502-R505 PolarHBondContact O-N 3.01Å; R505-L508 PolarHBondContact O-N 2.94Å; R505-L509 HydrophobicContact CG-CD1 4.2Å; R505-L509 WeakPolarHBondContact O-CG 3.32Å; R505-L509 PolarHBondContact O-N 3.09Å
506	K	97.9	Very high	97.2	Very high	132 Å²	132	58 Å²	58	57%	0.574	27%	0.271	S	S	*	.	H	α-helix	trans	-62.7	-45.7	177.7	-172.8	174.2	-178.6	175.8	0	111.8	E502 Q503 L508 L509 N510	E502-K506 WeakPolarHBondContact O-CB 3.48Å; E502-K506 PolarHBondContact O-N 2.72Å; Q503-K506 PolarHBondContact O-N 2.9Å; K506-L508 VanDerWaalsContact C-N 3.33Å; K506-L508 PolarHBondContact O-N 3.36Å; K506-L509 PolarHBondContact O-N 3.47Å; K506-N510 WeakPolarHBondContact O-CB 3.47Å; K506-N510 VanDerWaalsContact O-CG 3.27Å; K506-N510 PolarHBondContact O-N 2.84Å; K506-N510 PolarHBondContact O-OD1 2.64Å
507	A	98	Very high	97.1	Very high	43 Å²	43	60.8 Å²	60.8	36%	0.355	28%	0.281	S	S	.	.	H	α-helix	trans	-59.3	-43	177.9	0	0	0	0	0	112.3	Q503 R504 H511	Q503-A507 WeakPolarHBondContact O-CB 3.28Å; Q503-A507 PolarHBondContact O-N 2.98Å; R504-A507 PolarHBondContact O-N 3.43Å; A507-H511 WeakPolarHBondContact O-CB 3.37Å; A507-H511 PolarHBondContact O-N 3.12Å; A507-H511 VanDerWaalsContact O-N 3.09Å
508	L	98.4	Very high	97.1	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.1	-48.7	175.9	-175.3	154	0	0	0	111.9	P283 T444 F460 N463 Q464 L467 R504 R505 K506 H511 C512	P283-L508 HydrophobicContact CG-CD2 4.42Å; T444-L508 HydrophobicContact CG2-CD1 3.9Å; T444-L508 HydrophobicContact CG2-CD2 3.68Å; T444-L508 HydrophobicContact CG2-CG 4.49Å; F460-L508 HydrophobicContact CE2-CD2 4.23Å; F460-L508 HydrophobicContact CE2-CG 4.48Å; N463-L508 HydrophobicContact CB-CB 4.17Å; N463-L508 HydrophobicContact CB-CD1 4.4Å; N463-L508 HydrophobicContact CB-CG 4.29Å; Q464-L508 HydrophobicContact CB-CD1 4.04Å; L467-L508 HydrophobicContact CB-CD1 4.4Å; L467-L508 HydrophobicContact CD2-CD1 3.98Å; R504-L508 WeakPolarHBondContact O-CB 3.25Å; R504-L508 PolarHBondContact O-N 3.17Å; R505-L508 PolarHBondContact O-N 2.94Å; K506-L508 VanDerWaalsContact C-N 3.33Å; K506-L508 PolarHBondContact O-N 3.36Å; L508-H511 PolarHBondContact O-N 2.95Å; L508-C512 PolarHBondContact O-N 3.21Å; L508-C512 VanDerWaalsContact O-N 3.09Å; L508-C512 PolarHBondContact O-SG 3.27Å
509	L	97.8	Very high	97	Very high	36 Å²	36	65.8 Å²	65.8	19%	0.188	33%	0.326	C	S	.	.	H	α-helix	trans	-67.4	-40.9	-177.6	-69.7	179.1	0	0	0	112.1	A282 P283 T440 R505 K506 H511 C512 H513	A282-L509 HydrophobicContact CB-CD2 3.77Å; P283-L509 HydrophobicContact CB-CD2 4.15Å; T440-L509 HydrophobicContact CG2-CD1 4.41Å; T440-L509 HydrophobicContact CG2-CD2 3.9Å; T440-L509 HydrophobicContact CG2-CG 4.25Å; R505-L509 HydrophobicContact CG-CD1 4.2Å; R505-L509 WeakPolarHBondContact O-CG 3.32Å; R505-L509 PolarHBondContact O-N 3.09Å; K506-L509 PolarHBondContact O-N 3.47Å; L509-H511 VanDerWaalsContact C-N 3.33Å; L509-H511 PolarHBondContact O-N 3.32Å; L509-C512 WeakPolarHBondContact O-CB 3.17Å; L509-C512 PolarHBondContact O-N 2.92Å; L509-H513 WeakPolarHBondContact O-CB 3.35Å; L509-H513 PolarHBondContact O-N 3.18Å
510	N	97.6	Very high	96.9	Very high	67 Å²	67	63.8 Å²	63.8	36%	0.358	32%	0.318	S	S	.	.	H	α-helix	trans	-60	-43.9	175.1	-75.2	15.7	0	0	0	111.2	K506 C512 H513 E514	K506-N510 WeakPolarHBondContact O-CB 3.47Å; K506-N510 VanDerWaalsContact O-CG 3.27Å; K506-N510 PolarHBondContact O-N 2.84Å; K506-N510 PolarHBondContact O-OD1 2.64Å; N510-C512 VanDerWaalsContact C-N 3.32Å; N510-C512 PolarHBondContact O-N 3.49Å; N510-H513 PolarHBondContact O-N 3.23Å; N510-E514 WeakPolarHBondContact O-CG 3.24Å; N510-E514 PolarHBondContact O-N 3.05Å
511	H	98.1	Very high	96.8	Very high	17 Å²	17	60.5 Å²	60.5	8%	0.079	31%	0.305	C	S	.	.	H	α-helix	trans	-62.3	-38.4	176.5	178.8	-118.2	0	0	0	112.6	Q456 A507 L508 L509 G515 W520 W521	Q456-H511 PolarHBondContact O-CE1 2.96Å; Q456-H511 PolarHBondContact OE1-NE2 3.17Å; A507-H511 WeakPolarHBondContact O-CB 3.37Å; A507-H511 PolarHBondContact O-N 3.12Å; A507-H511 VanDerWaalsContact O-N 3.09Å; L508-H511 PolarHBondContact O-N 2.95Å; L509-H511 VanDerWaalsContact C-N 3.33Å; L509-H511 PolarHBondContact O-N 3.32Å; H511-G515 PolarHBondContact O-N 3.4Å; H511-G515 VanDerWaalsContact O-N 3.15Å; H511-W520 AromaticContact CD2-CZ3 3.9Å; H511-W520 AromaticContact NE2-CZ3 3.98Å; H511-W521 AromaticContact CE1-CH2 3.62Å
512	C	97	Very high	96.7	Very high	3 Å²	3	63.2 Å²	63.2	2%	0.02	32%	0.324	C	S	.	.	H	α-helix	trans	-63.6	-46.3	174	-62.1	0	0	0	0	111.4	P283 L508 L509 N510 G515 D516 W521	P283-C512 HydrophobicContact CB-CB 3.7Å; P283-C512 VanDerWaalsContact CB-SG 3.59Å; L508-C512 PolarHBondContact O-N 3.21Å; L508-C512 VanDerWaalsContact O-N 3.09Å; L508-C512 PolarHBondContact O-SG 3.27Å; L509-C512 WeakPolarHBondContact O-CB 3.17Å; L509-C512 PolarHBondContact O-N 2.92Å; N510-C512 VanDerWaalsContact C-N 3.32Å; N510-C512 PolarHBondContact O-N 3.49Å; C512-G515 WeakPolarHBondContact O-CA 3.46Å; C512-G515 PolarHBondContact O-N 3.36Å; C512-G515 VanDerWaalsContact O-N 3.14Å; C512-D516 PolarHBondContact O-N 3.35Å; C512-W521 PolarHBondContact O-NE1 3.44Å
513	H	94.7	Very high	96.5	Very high	100 Å²	100	62 Å²	62	46%	0.463	32%	0.318	S	S	.	.	H	α-helix	trans	-64.1	-46.4	-179.3	-174.2	-118.8	0	0	0	112.5	L509 N510 G515 D516 E517	L509-H513 WeakPolarHBondContact O-CB 3.35Å; L509-H513 PolarHBondContact O-N 3.18Å; N510-H513 PolarHBondContact O-N 3.23Å; H513-G515 PolarHBondContact O-N 3.11Å; H513-D516 WeakPolarHBondContact O-CB 3.26Å; H513-D516 PolarHBondContact O-N 2.67Å; H513-E517 IonicContact CE1-OE1 3.68Å; H513-E517 PolarHBondContact CE1-OE1 3.37Å; H513-E517 IonicContact ND1-OE1 3.4Å; H513-E517 IonicContact NE2-OE1 2.8Å; H513-E517 PolarHBondContact O-N 2.99Å
514	E	96.4	Very high	96.1	Very high	89 Å²	89	60.8 Å²	60.8	42%	0.416	31%	0.308	S	S	.	.	H	α-helix	trans	-57.6	-35.3	172.9	-72.8	171.3	-157.1	0	0	111.3	N510 N518 W520	N510-E514 WeakPolarHBondContact O-CG 3.24Å; N510-E514 PolarHBondContact O-N 3.05Å; E514-N518 WeakPolarHBondContact O-CB 3.45Å; E514-N518 PolarHBondContact O-N 2.88Å; E514-N518 PolarHBondContact O-ND2 3.23Å; E514-W520 HydrophobicContact CB-CH2 3.73Å; E514-W520 HydrophobicContact CB-CZ3 3.82Å
515	G	96.2	Very high	95.2	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-72	-29.8	175.6	0	0	0	0	0	114.5	H511 C512 H513 G519 W520	H511-G515 PolarHBondContact O-N 3.4Å; H511-G515 VanDerWaalsContact O-N 3.15Å; C512-G515 WeakPolarHBondContact O-CA 3.46Å; C512-G515 PolarHBondContact O-N 3.36Å; C512-G515 VanDerWaalsContact O-N 3.14Å; H513-G515 PolarHBondContact O-N 3.11Å; G515-G519 PolarHBondContact O-N 3.3Å; G515-G519 VanDerWaalsContact O-N 3.09Å; G515-W520 PolarHBondContact O-N 2.77Å
516	D	93.3	Very high	95.1	Very high	78 Å²	78	70.5 Å²	70.5	42%	0.417	36%	0.356	S	S	.	.	H	α-helix	trans	-68.8	-46.9	171.5	-68	-33.6	0	0	0	110.1	C512 H513 N518 G519	C512-D516 PolarHBondContact O-N 3.35Å; H513-D516 WeakPolarHBondContact O-CB 3.26Å; H513-D516 PolarHBondContact O-N 2.67Å; D516-N518 VanDerWaalsContact C-N 3.34Å; D516-N518 PolarHBondContact O-N 2.86Å; D516-G519 PolarHBondContact O-N 2.94Å
517	E	94.6	Very high	94.9	Very high	134 Å²	134	67.3 Å²	67.3	63%	0.626	34%	0.344	S	S	*	.	H	α-helix	trans	-61.6	-38.7	178.9	-70.1	179.8	167.9	0	0	112.9	H513	H513-E517 IonicContact CE1-OE1 3.68Å; H513-E517 PolarHBondContact CE1-OE1 3.37Å; H513-E517 IonicContact ND1-OE1 3.4Å; H513-E517 IonicContact NE2-OE1 2.8Å; H513-E517 PolarHBondContact O-N 2.99Å
518	N	96.2	Very high	94.8	Very high	99 Å²	99	68.6 Å²	68.6	53%	0.529	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	3.7	-176.9	-66.2	-68.8	0	0	0	114	E514 D516 W520	E514-N518 WeakPolarHBondContact O-CB 3.45Å; E514-N518 PolarHBondContact O-N 2.88Å; E514-N518 PolarHBondContact O-ND2 3.23Å; D516-N518 VanDerWaalsContact C-N 3.34Å; D516-N518 PolarHBondContact O-N 2.86Å; N518-W520 HydrophobicContact CB-CD2 4.25Å; N518-W520 HydrophobicContact CB-CG 4.27Å; N518-W520 HydrophobicContact CB-CZ2 3.97Å; N518-W520 PolarHBondContact O-N 3.29Å
519	G	94.7	Very high	94.5	Very high	63 Å²	63	72.6 Å²	72.6	65%	0.649	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	36.5	179.4	0	0	0	0	0	114.4	G515 D516 W521	G515-G519 PolarHBondContact O-N 3.3Å; G515-G519 VanDerWaalsContact O-N 3.09Å; D516-G519 PolarHBondContact O-N 2.94Å; G519-W521 VanDerWaalsContact C-N 3.34Å
520	W	95.8	Very high	94.3	Very high	74 Å²	74	74.9 Å²	74.9	28%	0.28	38%	0.375	S	S	.	.			trans	-75.8	-20.3	-178.9	-65.9	-12	0	0	0	114.1	N454 Q456 H511 E514 G515 N518	N454-W520 PolarHBondContact ND2-O 3.07Å; Q456-W520 HydrophobicContact CB-CB 4.34Å; Q456-W520 HydrophobicContact CB-CE3 4.3Å; Q456-W520 HydrophobicContact CG-CB 3.95Å; Q456-W520 HydrophobicContact CG-CD2 3.77Å; Q456-W520 HydrophobicContact CG-CE3 3.75Å; Q456-W520 HydrophobicContact CG-CG 3.87Å; H511-W520 AromaticContact CD2-CZ3 3.9Å; H511-W520 AromaticContact NE2-CZ3 3.98Å; E514-W520 HydrophobicContact CB-CH2 3.73Å; E514-W520 HydrophobicContact CB-CZ3 3.82Å; G515-W520 PolarHBondContact O-N 2.77Å; N518-W520 HydrophobicContact CB-CD2 4.25Å; N518-W520 HydrophobicContact CB-CG 4.27Å; N518-W520 HydrophobicContact CB-CZ2 3.97Å; N518-W520 PolarHBondContact O-N 3.29Å
521	W	96	Very high	94.1	Very high	23 Å²	23	75.5 Å²	75.5	9%	0.087	38%	0.376	C	S	.	.			trans	-95.3	132.6	-170.3	-48.9	127.7	0	0	0	112.1	F447 L451 Q456 F460 H511 C512 G519 F523	F447-W521 AromaticContact CZ-CD2 3.97Å; F447-W521 HydrophobicContact CZ-CD2 3.97Å; F447-W521 AromaticContact CZ-CE2 3.99Å; F447-W521 HydrophobicContact CZ-CE3 4.49Å; F447-W521 HydrophobicContact CZ-CG 4.13Å; L451-W521 HydrophobicContact CD1-CB 4.15Å; L451-W521 HydrophobicContact CD1-CD2 4.2Å; L451-W521 HydrophobicContact CD1-CE3 3.71Å; L451-W521 HydrophobicContact CD1-CG 4.4Å; L451-W521 HydrophobicContact CD1-CZ3 4.45Å; L451-W521 HydrophobicContact CD2-CE3 4.47Å; L451-W521 HydrophobicContact CD2-CZ3 4.43Å; Q456-W521 HydrophobicContact CB-CE3 4.25Å; Q456-W521 HydrophobicContact CB-CH2 3.64Å; Q456-W521 HydrophobicContact CB-CZ3 3.36Å; F460-W521 HydrophobicContact CB-CH2 4.43Å; H511-W521 AromaticContact CE1-CH2 3.62Å; C512-W521 PolarHBondContact O-NE1 3.44Å; G519-W521 VanDerWaalsContact C-N 3.34Å; W521-F523 HydrophobicContact CB-CE1 4.16Å; W521-F523 HydrophobicContact CB-CE2 3.68Å; W521-F523 HydrophobicContact CB-CZ 3.47Å; W521-F523 VanDerWaalsContact CB-CZ 3.47Å; W521-F523 HydrophobicContact CG-CZ 4.09Å
522	S	95.1	Very high	93.8	Very high	59 Å²	59	79.6 Å²	79.6	41%	0.413	40%	0.397	S	S	.	.			trans	-118	137.4	166.6	-52.9	0	0	0	0	107.8	E452	E452-S522 WeakPolarHBondContact CB-O 3.47Å; E452-S522 PolarHBondContact N-O 2.88Å; E452-S522 VanDerWaalsContact OE2-CB 3.26Å; E452-S522 WeakPolarHBondContact OE2-CB 3.4Å
523	F	94.5	Very high	93.6	Very high	56 Å²	56	85.5 Å²	85.5	25%	0.246	43%	0.426	C	S	.	.	B	Isolated β-bridge	trans	-122.9	134.3	-172.9	-59.6	-72.9	0	0	0	111.7	M285 M288 F447 Y450 L451 W521	M285-F523 HydrophobicContact CE-CD2 4.33Å; M285-F523 HydrophobicContact CE-CE2 3.92Å; M285-F523 HydrophobicContact CE-CZ 4.44Å; M288-F523 HydrophobicContact CE-CD1 3.39Å; M288-F523 HydrophobicContact CE-CE1 3.56Å; M288-F523 HydrophobicContact CE-CG 4.04Å; M288-F523 HydrophobicContact CE-CZ 4.31Å; M288-F523 HydrophobicContact SD-CD1 4.15Å; M288-F523 HydrophobicContact SD-CE1 4.07Å; M288-F523 HydrophobicContact SD-CG 4.4Å; M288-F523 HydrophobicContact SD-CZ 4.25Å; F447-F523 HydrophobicContact CD2-CE1 4.07Å; F447-F523 HydrophobicContact CD2-CZ 4.41Å; F447-F523 AromaticContact CE2-CE1 3.64Å; F447-F523 HydrophobicContact CE2-CE1 3.64Å; F447-F523 AromaticContact CE2-CZ 3.7Å; F447-F523 HydrophobicContact CE2-CZ 3.7Å; F447-F523 HydrophobicContact CZ-CE1 4.13Å; F447-F523 HydrophobicContact CZ-CZ 4.28Å; Y450-F523 CarbonylContact O-C 3.59Å; Y450-F523 VanDerWaalsContact O-CA 3.26Å; Y450-F523 WeakPolarHBondContact O-CA 3.47Å; L451-F523 HydrophobicContact CD1-CD1 4.21Å; L451-F523 HydrophobicContact CD1-CE1 3.82Å; W521-F523 HydrophobicContact CB-CE1 4.16Å; W521-F523 HydrophobicContact CB-CE2 3.68Å; W521-F523 HydrophobicContact CB-CZ 3.47Å; W521-F523 VanDerWaalsContact CB-CZ 3.47Å; W521-F523 HydrophobicContact CG-CZ 4.09Å
524	R	89.5	Confident	93.5	Very high	94 Å²	94	84.3 Å²	84.3	36%	0.355	42%	0.423	S	S	.	.			trans	-64.5	140.2	171.2	-58.3	-175.3	-174.7	-138.5	7.6	110.2	R291 D363 Y450 E452	R291-R524 PolarHBondContact NH1-O 3.05Å; R291-R524 VanDerWaalsContact NH1-O 3.09Å; D363-R524 IonicContact OD2-NH2 3.23Å; Y450-R524 PolarHBondContact O-N 3.13Å; E452-R524 HydrophobicContact CG-CG 3.63Å
525	K	79.8	Confident	93.2	Very high	243 Å²	243	83.9 Å²	83.9	100%	1.057	42%	0.424	S	S	*	.			trans	-74.6	0	177.6	-69.4	-170	177.7	-175.1	0	112.3	R291	R291-K525 VanDerWaalsContact NH1-C 3.3Å; R291-K525 PolarHBondContact NH1-OXT 3.21Å

Retrieved 525 of 525 residues in 239.2 ms (Link to these results)

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