X6RJ95_HUMAN Loading...

Prostaglandin E synthase 2

AlphaFold DB , UniProt , Accession X6RJ95, Species HUMAN (Homo sapiens, Human), Gene PTGES2, Length 265 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.7	Very low	36.4	Very low	201 Å²	201	97.4 Å²	97.4	99%	0.99	51%	0.512	S	S	*	.				0	109.6	0	-91.7	-163.4	166.1	0	0	106.9
2	D	36.4	Very low	36.4	Very low	109 Å²	109	102.6 Å²	102.6	58%	0.583	52%	0.52	S	S	*	.			trans	-64.9	144.1	-172	-79.7	-73.4	0	0	0	114.2	A4 A5 R6	D2-A4 PolarHBondContact O-N 3.25Å; D2-A5 HydrophobicContact CB-CB 4.09Å; D2-A5 PolarHBondContact O-N 3.4Å; D2-R6 PolarHBondContact O-N 3.08Å
3	P	37.9	Very low	36	Very low	98 Å²	98	102.8 Å²	102.8	64%	0.636	53%	0.532	S	S	*	.	H	α-helix	trans	-60.9	-37.1	170	25.5	-31.9	0	0	0	111	R6 V7	P3-R6 PolarHBondContact O-N 3.45Å; P3-V7 PolarHBondContact O-N 3.35Å
4	A	35.1	Very low	35.9	Very low	32 Å²	32	100.4 Å²	100.4	26%	0.264	55%	0.546	S	S	.	.	H	α-helix	trans	-56.8	-53.7	173.3	0	0	0	0	0	111.5	D2 R6 V7 V8	D2-A4 PolarHBondContact O-N 3.25Å; A4-R6 PolarHBondContact O-N 2.9Å; A4-V7 PolarHBondContact O-N 3.15Å; A4-V7 VanDerWaalsContact O-N 3.08Å; A4-V8 WeakPolarHBondContact O-CG2 3.33Å; A4-V8 PolarHBondContact O-N 3.27Å
5	A	35.1	Very low	36.1	Very low	55 Å²	55	98.9 Å²	98.9	46%	0.455	56%	0.563	S	S	.	*	H	α-helix	trans	-59.6	-23.1	179.8	0	0	0	0	0	114.3	D2 R9	D2-A5 HydrophobicContact CB-CB 4.09Å; D2-A5 PolarHBondContact O-N 3.4Å; A5-R9 PolarHBondContact O-N 3.33Å
6	R	36.1	Very low	35.5	Very low	171 Å²	171	100.4 Å²	100.4	65%	0.645	58%	0.579	S	S	*	*	H	α-helix	trans	-77.9	-43.7	173.8	-73.5	-178.9	170.4	-176.3	-1.9	112.7	D2 P3 A4 V8 R9	D2-R6 PolarHBondContact O-N 3.08Å; P3-R6 PolarHBondContact O-N 3.45Å; A4-R6 PolarHBondContact O-N 2.9Å; R6-V8 VanDerWaalsContact C-N 3.28Å; R6-V8 PolarHBondContact O-N 2.67Å; R6-R9 PolarHBondContact O-N 3.17Å
7	V	41.1	Very low	35.3	Very low	63 Å²	63	100.5 Å²	100.5	38%	0.382	60%	0.595	S	S	.	*	H	α-helix	trans	-61.3	-40.3	174.8	176	0	0	0	0	110.4	P3 A4 R9 A10 A91	P3-V7 PolarHBondContact O-N 3.35Å; A4-V7 PolarHBondContact O-N 3.15Å; A4-V7 VanDerWaalsContact O-N 3.08Å; V7-R9 PolarHBondContact O-N 3.38Å; V7-A10 PolarHBondContact O-N 3.2Å; V7-A91 HydrophobicContact CG1-CB 4.39Å; V7-A91 HydrophobicContact CG2-CB 4.21Å
8	V	37.3	Very low	34.9	Very low	28 Å²	28	102.9 Å²	102.9	17%	0.17	60%	0.604	C	S	.	*	H	α-helix	trans	-67.1	-36.7	-177.8	169	0	0	0	0	113.9	A4 R6 Y140 L141	A4-V8 WeakPolarHBondContact O-CG2 3.33Å; A4-V8 PolarHBondContact O-N 3.27Å; R6-V8 VanDerWaalsContact C-N 3.28Å; R6-V8 PolarHBondContact O-N 2.67Å; V8-Y140 HydrophobicContact CG2-CE1 4.32Å; V8-L141 HydrophobicContact CB-CD2 3.99Å; V8-L141 HydrophobicContact CG1-CB 3.79Å; V8-L141 HydrophobicContact CG1-CD2 3.6Å; V8-L141 HydrophobicContact CG1-CG 4.17Å; V8-L141 HydrophobicContact CG2-CD2 3.37Å
9	R	34.9	Very low	34.4	Very low	207 Å²	207	102.8 Å²	102.8	78%	0.781	62%	0.616	S	S	*	*	H	α-helix	trans	-73.7	-24.2	179	-82	-170.9	179.6	-166	0.8	113.9	A5 R6 V7	A5-R9 PolarHBondContact O-N 3.33Å; R6-R9 PolarHBondContact O-N 3.17Å; V7-R9 PolarHBondContact O-N 3.38Å
10	A	34.4	Very low	34	Very low	54 Å²	54	108.8 Å²	108.8	45%	0.446	63%	0.627	S	S	.	*	H	α-helix	trans	-70.6	-37.9	176.3	0	0	0	0	0	111.8	V7 W12 E88	V7-A10 PolarHBondContact O-N 3.2Å; A10-W12 PolarHBondContact O-N 3.08Å; A10-W12 VanDerWaalsContact O-N 3.1Å; A10-E88 HydrophobicContact CB-CG 4.34Å; A10-E88 WeakPolarHBondContact CB-OE1 3.48Å
11	L	33.1	Very low	33.6	Very low	53 Å²	53	115.1 Å²	115.1	28%	0.277	64%	0.641	S	S	.	*	S	Bend	trans	-62	-23.5	-177.1	-81.5	166.1	0	0	0	113.7	R81 E88 L141	L11-R81 PolarHBondContact O-NH1 3.45Å; L11-E88 WeakPolarHBondContact CA-OE1 3.17Å; L11-E88 WeakPolarHBondContact CD2-OE2 3.4Å; L11-E88 VanDerWaalsContact CG-OE1 3.28Å; L11-E88 WeakPolarHBondContact CG-OE1 3.38Å; L11-E88 PolarHBondContact N-OE1 3.19Å; L11-L141 HydrophobicContact CD1-CD1 4.43Å
12	W	37.4	Very low	33.1	Very low	160 Å²	160	113.2 Å²	113.2	61%	0.606	63%	0.634	S	S	*	*			trans	-149.8	78.8	-173.5	-150.5	-84	0	0	0	113.1	A10 G14	A10-W12 PolarHBondContact O-N 3.08Å; A10-W12 VanDerWaalsContact O-N 3.1Å; W12-G14 PolarHBondContact O-N 3.5Å
13	P	31	Very low	32.6	Very low	105 Å²	105	111.8 Å²	111.8	68%	0.682	65%	0.645	S	S	*	*			trans	-60.3	120	166.8	-15.4	29.8	0	0	0	108.8
14	G	34.3	Very low	31.9	Very low	70 Å²	70	110.7 Å²	110.7	72%	0.722	65%	0.652	S	S	*	*			trans	-72.1	130.1	-177.5	0	0	0	0	0	112.3	W12	W12-G14 PolarHBondContact O-N 3.5Å
15	G	39	Very low	31.5	Very low	78 Å²	78	119.8 Å²	119.8	80%	0.804	68%	0.679	S	S	*	*			trans	94	95.1	158	0	0	0	0	0	116.5
16	C	26	Very low	31.1	Very low	122 Å²	122	123.3 Å²	123.3	82%	0.824	70%	0.697	S	S	*	*			trans	-147.6	113.9	145	-147.1	0	0	0	0	109.6	L18	C16-L18 PolarHBondContact O-N 3.23Å
17	A	33.1	Very low	30.8	Very low	103 Å²	103	122.9 Å²	122.9	85%	0.851	70%	0.703	S	S	*	*			trans	-77.7	120.5	178.7	0	0	0	0	0	110.1
18	L	27.5	Very low	30.3	Very low	143 Å²	143	125.3 Å²	125.3	75%	0.749	72%	0.72	S	S	*	*			trans	-116.2	98.3	171.3	-82.2	167	0	0	0	109.6	C16 W20	C16-L18 PolarHBondContact O-N 3.23Å; L18-W20 PolarHBondContact O-N 3.06Å
19	A	26.1	Very low	29.7	Very low	101 Å²	101	132.1 Å²	132.1	84%	0.835	75%	0.754	S	S	*	*			trans	-74.8	105.7	178.3	0	0	0	0	0	110.8	R21	A19-R21 PolarHBondContact O-N 3.48Å
20	W	26.3	Very low	29.4	Very low	222 Å²	222	130 Å²	130	84%	0.841	76%	0.757	S	S	*	*			trans	-81.9	94.9	171.5	-77	97.9	0	0	0	111.1	L18 L22	L18-W20 PolarHBondContact O-N 3.06Å; W20-L22 PolarHBondContact O-N 3.04Å
21	R	24.9	Very low	29.1	Very low	242 Å²	242	133.3 Å²	133.3	91%	0.913	78%	0.775	S	S	*	*			trans	-71	111.9	159.2	-85.1	-173.7	179.2	-127	2.7	108.9	A19	A19-R21 PolarHBondContact O-N 3.48Å
22	L	28.3	Very low	28.7	Very low	161 Å²	161	136.4 Å²	136.4	84%	0.843	80%	0.796	S	S	*	*			trans	-116.1	102.2	157.1	-74.9	171	0	0	0	108.2	W20	W20-L22 PolarHBondContact O-N 3.04Å
23	G	25	Very low	28.2	Very low	80 Å²	80	137.7 Å²	137.7	83%	0.825	81%	0.809	S	S	*	*			trans	-81.7	149.2	168.1	0	0	0	0	0	110.4
24	G	24.8	Very low	27.9	Very low	75 Å²	75	137.3 Å²	137.3	77%	0.773	81%	0.809	S	S	*	*			trans	141.6	78.2	176.7	0	0	0	0	0	113.3
25	R	25.1	Very low	27.4	Very low	223 Å²	223	144.8 Å²	144.8	84%	0.842	82%	0.815	S	S	*	*			trans	-67.4	147.5	158.5	-73.4	-178.4	173.9	-179.4	-1.5	108.7
26	P	26.8	Very low	26.7	Very low	128 Å²	128	146 Å²	146	83%	0.831	82%	0.817	S	S	*	*				-119.7	148.4	117.2	-4.6	24.2	0	0	0	112.1
27	Q	29.4	Very low	26.6	Very low	162 Å²	162	143.2 Å²	143.2	76%	0.757	81%	0.809	S	S	*	*			trans	-85.3	164.3	171.8	-105.9	-176.5	-28.5	0	0	111.6
28	P	30.7	Very low	26.1	Very low	114 Å²	114	148.2 Å²	148.2	74%	0.74	81%	0.812	S	S	*	*			trans	-84.7	153.3	-168	34.6	-36.1	0	0	0	113.3
29	L	26.5	Very low	25.9	Very low	172 Å²	172	146 Å²	146	90%	0.901	81%	0.814	S	S	*	*			trans	-130.4	102.5	167.5	-85.1	165.4	0	0	0	110.4
30	L	27.4	Very low	25.8	Very low	161 Å²	161	144.8 Å²	144.8	84%	0.843	81%	0.812	S	S	*	*			trans	-84.4	145.1	155.6	-78.3	163.6	0	0	0	108.9
31	P	28.5	Very low	25.7	Very low	125 Å²	125	139 Å²	139	81%	0.812	81%	0.811	S	S	*	*			trans	-109.8	159.7	143.5	-5.3	25.2	0	0	0	112.1
32	T	24.5	Very low	25.7	Very low	118 Å²	118	132.7 Å²	132.7	72%	0.724	81%	0.811	S	S	*	*			trans	-115.8	144.2	-162.1	47.9	0	0	0	0	114.2
33	Q	27	Very low	25.5	Very low	187 Å²	187	128.7 Å²	128.7	87%	0.874	81%	0.809	S	S	*	*			trans	59	165.3	155.1	-58.9	-174.9	24.1	0	0	116.4
34	S	24.2	Very low	25.3	Very low	97 Å²	97	128.5 Å²	128.5	68%	0.678	81%	0.806	S	S	*	*			cis	-153.8	-175.4	7.3	-146.1	0	0	0	0	107.5
35	R	23.6	Very low	25.4	Very low	227 Å²	227	131 Å²	131	86%	0.857	81%	0.809	S	S	*	*			cis	-162.6	157.9	5.5	-159.8	172.8	179.1	176.7	-0.5	109.4
36	A	25.4	Very low	25.4	Very low	102 Å²	102	125.5 Å²	125.5	84%	0.843	81%	0.805	S	S	*	*			trans	68	146	160.7	0	0	0	0	0	119
37	G	23	Very low	25.6	Very low	64 Å²	64	125 Å²	125	66%	0.66	80%	0.802	S	S	*	*			cis	175.2	169	-7.8	0	0	0	0	0	114.2
38	F	23.4	Very low	25.4	Very low	208 Å²	208	123.9 Å²	123.9	91%	0.912	81%	0.806	S	S	*	*			trans	66.5	108.1	163.1	-75.2	-87.2	0	0	0	122
39	A	24	Very low	25.1	Very low	97 Å²	97	122.9 Å²	122.9	80%	0.802	81%	0.807	S	S	*	*				57.7	127.7	119.2	0	0	0	0	0	122.8
40	G	22.8	Very low	25.1	Very low	75 Å²	75	119.6 Å²	119.6	77%	0.773	80%	0.804	S	S	*	*				118.9	121.7	115.1	0	0	0	0	0	119.6
41	A	23.9	Very low	25	Very low	100 Å²	100	116.6 Å²	116.6	83%	0.826	80%	0.803	S	S	*	*			trans	69.7	113.2	148.4	0	0	0	0	0	122
42	A	25.1	Very low	25	Very low	110 Å²	110	122.7 Å²	122.7	91%	0.909	81%	0.81	S	S	*	*			trans	23.9	129.3	131.8	0	0	0	0	0	122
43	G	23.7	Very low	25	Very low	78 Å²	78	127.2 Å²	127.2	80%	0.804	82%	0.82	S	S	*	*			trans	166.6	116.1	157.2	0	0	0	0	0	113.9
44	G	21.9	Very low	24.9	Very low	75 Å²	75	121.3 Å²	121.3	77%	0.773	81%	0.808	S	S	*	*			trans	-75.6	-179.7	155.5	0	0	0	0	0	110.8
45	P	27	Very low	25.1	Very low	129 Å²	129	122.2 Å²	122.2	84%	0.838	82%	0.815	S	S	*	*			cis	-137.1	-173.6	34.8	39	-19.9	0	0	0	115.4
46	S	24.4	Very low	25.6	Very low	106 Å²	106	116.1 Å²	116.1	74%	0.741	81%	0.805	S	S	*	*			trans	-72.3	162	169.1	-60.4	0	0	0	0	112.9
47	P	31.3	Very low	25.9	Very low	118 Å²	118	122.8 Å²	122.8	77%	0.766	81%	0.808	S	S	*	*				-129.4	125.4	114.5	33.4	-24.5	0	0	0	111.1
48	V	24.3	Very low	26.1	Very low	139 Å²	139	127.9 Å²	127.9	84%	0.842	82%	0.819	S	S	*	*				65.6	119.8	84	-178.9	0	0	0	0	114.1
49	A	25.2	Very low	26.5	Very low	93 Å²	93	126 Å²	126	77%	0.769	82%	0.817	S	S	*	*			trans	-46.6	143.3	-177.2	0	0	0	0	0	117.5
50	A	25.6	Very low	26.5	Very low	102 Å²	102	125.2 Å²	125.2	84%	0.843	82%	0.819	S	S	*	*			trans	-111.3	89.1	153.4	0	0	0	0	0	109.6	R52	A50-R52 PolarHBondContact O-N 2.86Å
51	A	27.2	Very low	26.7	Very low	99 Å²	99	125.4 Å²	125.4	82%	0.818	81%	0.814	S	S	*	*			trans	-69.5	126.4	170.8	0	0	0	0	0	110
52	R	27.8	Very low	26.9	Very low	252 Å²	252	124.8 Å²	124.8	95%	0.951	81%	0.809	S	S	*	*			trans	-121.3	129.8	163.6	-83.4	-168.6	173.2	-178.1	-0.4	112.2	A50	A50-R52 PolarHBondContact O-N 2.86Å
53	K	24.7	Very low	27.1	Very low	214 Å²	214	123.1 Å²	123.1	93%	0.93	79%	0.794	S	S	*	*			trans	-89.6	125.6	-161.1	-175.8	-179	-175.5	178.6	0	111.1
54	G	23.6	Very low	27.6	Very low	62 Å²	62	124.1 Å²	124.1	64%	0.639	78%	0.781	S	S	*	*			trans	73.7	105.3	135.1	0	0	0	0	0	121.1
55	S	28.6	Very low	28.1	Very low	116 Å²	116	121.9 Å²	121.9	81%	0.811	76%	0.755	S	S	*	*			trans	77.3	165	138.6	86	0	0	0	0	119.3
56	P	35.1	Very low	28.5	Very low	99 Å²	99	122.1 Å²	122.1	64%	0.643	75%	0.749	S	S	*	*			cis	-128.8	157.6	-9.3	30.8	-11.2	0	0	0	116	L58	P56-L58 PolarHBondContact O-N 3.07Å
57	R	30.6	Very low	29	Very low	243 Å²	243	119 Å²	119	92%	0.917	73%	0.733	S	S	*	*			trans	41.6	61.1	140.6	-57.4	179.5	178.5	178.3	-0.7	120.1
58	L	28.8	Very low	29.1	Very low	170 Å²	170	113.8 Å²	113.8	89%	0.89	70%	0.701	S	S	*	*			trans	-133.5	22.3	163.1	-79.6	179.3	0	0	0	115.3	P56	P56-L58 PolarHBondContact O-N 3.07Å
59	L	30.1	Very low	29.5	Very low	168 Å²	168	108.5 Å²	108.5	88%	0.88	67%	0.672	S	S	*	*			trans	-105.9	22.8	176.5	-78.6	164.5	0	0	0	113.9
60	G	24.9	Very low	30.1	Very low	81 Å²	81	107.8 Å²	107.8	84%	0.835	65%	0.654	S	S	*	*	S	Bend	trans	-85.5	-10.6	178.3	0	0	0	0	0	115.9
61	A	26.5	Very low	30.5	Very low	80 Å²	80	104 Å²	104	66%	0.661	63%	0.626	S	S	*	*			trans	-124.4	27.2	-165.1	0	0	0	0	0	115
62	A	28.3	Very low	30.8	Very low	87 Å²	87	102.1 Å²	102.1	72%	0.719	60%	0.602	S	S	*	*			trans	-99.7	17.7	177.1	0	0	0	0	0	114
63	A	29.9	Very low	31.1	Very low	74 Å²	74	94.1 Å²	94.1	61%	0.612	57%	0.572	S	S	*	*			trans	-112.5	20.3	-176.8	0	0	0	0	0	113.9	R102	A63-R102 PolarHBondContact O-NH2 3.49Å
64	L	34.7	Very low	31.6	Very low	100 Å²	100	89.5 Å²	89.5	52%	0.524	55%	0.553	S	S	.	*	S	Bend	trans	-124.4	57.1	-177.8	-85.7	164.8	0	0	0	111.5	P99	L64-P99 VanDerWaalsContact CD2-O 3.28Å; L64-P99 WeakPolarHBondContact CD2-O 3.42Å
65	A	31.7	Very low	32.2	Very low	28 Å²	28	89.3 Å²	89.3	23%	0.231	54%	0.54	C	S	.	.			trans	-173	36.9	161.4	0	0	0	0	0	115.9	G68 M251	A65-G68 PolarHBondContact O-N 2.87Å; A65-M251 HydrophobicContact CB-CE 3.36Å; A65-M251 HydrophobicContact CB-CG 4.04Å; A65-M251 HydrophobicContact CB-SD 3.27Å; A65-M251 WeakPolarHBondContact CB-SD 3.22Å
66	L	36.1	Very low	32.2	Very low	134 Å²	134	87.7 Å²	87.7	70%	0.702	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	10.9	158.5	-70.9	-179.7	0	0	0	113	G68 A69	L66-G68 PolarHBondContact O-N 3.14Å; L66-A69 WeakPolarHBondContact O-CB 3.31Å; L66-A69 PolarHBondContact O-N 3.23Å
67	G	33.2	Very low	32	Very low	39 Å²	39	91.4 Å²	91.4	40%	0.402	54%	0.535	S	S	.	.	H	α-helix	trans	-59.6	-17.4	153.9	0	0	0	0	0	113	A69 G71	G67-A69 VanDerWaalsContact C-N 3.32Å; G67-G71 PolarHBondContact O-N 2.9Å
68	G	33.8	Very low	31.9	Very low	9 Å²	9	86.3 Å²	86.3	9%	0.093	52%	0.516	C	S	.	.	H	α-helix	trans	-68.7	-24.9	168.7	0	0	0	0	0	114.2	A65 L66	A65-G68 PolarHBondContact O-N 2.87Å; L66-G68 PolarHBondContact O-N 3.14Å
69	A	33.8	Very low	32	Very low	29 Å²	29	85.7 Å²	85.7	24%	0.24	51%	0.508	C	S	.	.	H	α-helix	trans	-79	-44.8	173.9	0	0	0	0	0	111	L66 G67 Y73 V208	L66-A69 WeakPolarHBondContact O-CB 3.31Å; L66-A69 PolarHBondContact O-N 3.23Å; G67-A69 VanDerWaalsContact C-N 3.32Å; A69-Y73 WeakPolarHBondContact O-CB 3.5Å; A69-Y73 PolarHBondContact O-N 3Å; A69-V208 HydrophobicContact CB-CG2 4.03Å
70	L	37.6	Very low	31.9	Very low	77 Å²	77	86 Å²	86	40%	0.403	51%	0.509	S	S	.	.	H	α-helix	trans	-71.4	-43.7	178.5	-84.9	161.6	0	0	0	113	L72 Y73 H74 V113	L70-L72 PolarHBondContact O-N 3.22Å; L70-Y73 PolarHBondContact O-N 3.48Å; L70-H74 WeakPolarHBondContact O-CB 3.32Å; L70-H74 PolarHBondContact O-N 2.73Å; L70-V113 HydrophobicContact CD1-CB 4.26Å; L70-V113 HydrophobicContact CD1-CG2 3.72Å
71	G	34	Very low	32.2	Very low	23 Å²	23	87.3 Å²	87.3	24%	0.237	49%	0.489	C	S	.	.	H	α-helix	trans	-62.4	-26.6	178.6	0	0	0	0	0	114.1	G67 T75	G67-G71 PolarHBondContact O-N 2.9Å; G71-T75 PolarHBondContact O-OG1 3.02Å
72	L	32.9	Very low	32.5	Very low	60 Å²	60	85.9 Å²	85.9	31%	0.314	48%	0.478	S	S	.	.	H	α-helix	trans	-93.9	-27.6	173.2	-102.1	153.7	0	0	0	114.1	L70 H74 T75 A76 I211 V215	L70-L72 PolarHBondContact O-N 3.22Å; L72-H74 VanDerWaalsContact C-N 3.27Å; L72-H74 PolarHBondContact O-N 3.11Å; L72-T75 WeakPolarHBondContact CA-OG1 3.43Å; L72-T75 PolarHBondContact O-N 3.34Å; L72-A76 HydrophobicContact CD2-CB 4Å; L72-A76 WeakPolarHBondContact O-CB 3.47Å; L72-A76 PolarHBondContact O-N 3.25Å; L72-I211 HydrophobicContact CB-CD1 4.15Å; L72-I211 HydrophobicContact CD1-CB 4.28Å; L72-I211 HydrophobicContact CD1-CD1 4.1Å; L72-I211 HydrophobicContact CD1-CG1 4.07Å; L72-I211 HydrophobicContact CD1-CG2 3.34Å; L72-V215 HydrophobicContact CD1-CG1 4.19Å
73	Y	34.5	Very low	32.7	Very low	84 Å²	84	90.6 Å²	90.6	33%	0.329	48%	0.484	S	S	.	.	H	α-helix	trans	-61	-39.1	164.7	-111.1	-92.3	0	0	0	111.3	A69 L70 T75	A69-Y73 WeakPolarHBondContact O-CB 3.5Å; A69-Y73 PolarHBondContact O-N 3Å; L70-Y73 PolarHBondContact O-N 3.48Å; Y73-T75 VanDerWaalsContact C-N 3.3Å; Y73-T75 PolarHBondContact O-N 3.44Å
74	H	35.8	Very low	32.9	Very low	117 Å²	117	93.2 Å²	93.2	54%	0.542	49%	0.488	S	S	.	.	H	α-helix	trans	-71.4	-20.9	-179.4	-146.1	-94.6	0	0	0	113.7	L70 L72	L70-H74 WeakPolarHBondContact O-CB 3.32Å; L70-H74 PolarHBondContact O-N 2.73Å; L72-H74 VanDerWaalsContact C-N 3.27Å; L72-H74 PolarHBondContact O-N 3.11Å
75	T	34.3	Very low	32.9	Very low	58 Å²	58	90.4 Å²	90.4	36%	0.356	47%	0.473	S	S	.	.	H	α-helix	trans	-108.7	-40.3	-177	48.2	0	0	0	0	114.2	G71 L72 Y73 Y228	G71-T75 PolarHBondContact O-OG1 3.02Å; L72-T75 WeakPolarHBondContact CA-OG1 3.43Å; L72-T75 PolarHBondContact O-N 3.34Å; Y73-T75 VanDerWaalsContact C-N 3.3Å; Y73-T75 PolarHBondContact O-N 3.44Å; T75-Y228 HydrophobicContact CG2-CE1 4.4Å; T75-Y228 WeakPolarHBondContact CG2-OH 3.49Å
76	A	30.2	Very low	32.9	Very low	82 Å²	82	95.7 Å²	95.7	68%	0.678	49%	0.493	S	S	*	.	H	α-helix	trans	-89	-18.9	-170	0	0	0	0	0	115.6	L72	L72-A76 HydrophobicContact CD2-CB 4Å; L72-A76 WeakPolarHBondContact O-CB 3.47Å; L72-A76 PolarHBondContact O-N 3.25Å
77	R	30.8	Very low	32.6	Very low	176 Å²	176	93 Å²	93	66%	0.664	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	-17.7	-175.5	-161.8	167.6	-176.5	170.8	2.1	115.5
78	W	27.7	Very low	32.7	Very low	136 Å²	136	92.6 Å²	92.6	52%	0.515	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-15.2	-173.1	-69.1	111.4	0	0	0	115.7	L80 R81 L85	W78-L80 VanDerWaalsContact C-N 3.31Å; W78-L80 PolarHBondContact O-N 3.27Å; W78-R81 PolarHBondContact O-N 3.36Å; W78-L85 HydrophobicContact CE3-CD1 3.79Å; W78-L85 HydrophobicContact CZ3-CD1 4.07Å
79	H	30.2	Very low	32.9	Very low	157 Å²	157	100.9 Å²	100.9	73%	0.727	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-71.2	-21.7	-174.8	-121.8	61.4	0	0	0	114.6	R81	H79-R81 VanDerWaalsContact C-N 3.31Å; H79-R81 PolarHBondContact O-N 3.39Å
80	L	28.2	Very low	32.9	Very low	175 Å²	175	104.7 Å²	104.7	92%	0.916	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-82.7	4.4	179.4	-81.7	165.7	0	0	0	115	W78	W78-L80 VanDerWaalsContact C-N 3.31Å; W78-L80 PolarHBondContact O-N 3.27Å
81	R	32.8	Very low	33.8	Very low	109 Å²	109	104.2 Å²	104.2	41%	0.411	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-130.8	21.6	173	-74.8	-160.9	-178.2	-171	3.4	113.6	L11 W78 H79 Q83 D84 L85	L11-R81 PolarHBondContact O-NH1 3.45Å; W78-R81 PolarHBondContact O-N 3.36Å; H79-R81 VanDerWaalsContact C-N 3.31Å; H79-R81 PolarHBondContact O-N 3.39Å; R81-Q83 PolarHBondContact O-N 3.02Å; R81-D84 PolarHBondContact O-N 3.22Å; R81-L85 HydrophobicContact CB-CD1 3.99Å
82	A	32.7	Very low	35.2	Very low	50 Å²	50	106.7 Å²	106.7	41%	0.413	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.5	-16.6	-172.1	0	0	0	0	0	115	H86	A82-H86 PolarHBondContact O-CD2 3.3Å; A82-H86 VanDerWaalsContact O-CD2 3.31Å
83	Q	31.6	Very low	37.4	Very low	185 Å²	185	112.5 Å²	112.5	86%	0.864	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-31	-177.6	-67.8	-178.3	-10	0	0	113.9	R81	R81-Q83 PolarHBondContact O-N 3.02Å
84	D	33.9	Very low	39.8	Very low	130 Å²	130	114.4 Å²	114.4	70%	0.695	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-31.3	179.6	-62.2	-43	0	0	0	113.1	R81 H86 A87	R81-D84 PolarHBondContact O-N 3.22Å; D84-H86 PolarHBondContact O-N 3.31Å; D84-A87 PolarHBondContact O-N 3.04Å
85	L	35.8	Very low	42	Very low	40 Å²	40	113 Å²	113	21%	0.209	60%	0.601	C	S	.	*	T	Hydrogen-bonded Turn	trans	-67.7	-8.1	-173	-87.6	160.4	0	0	0	115.5	W78 R81 A87 E88 R89	W78-L85 HydrophobicContact CE3-CD1 3.79Å; W78-L85 HydrophobicContact CZ3-CD1 4.07Å; R81-L85 HydrophobicContact CB-CD1 3.99Å; L85-A87 VanDerWaalsContact C-N 3.26Å; L85-A87 PolarHBondContact O-N 2.67Å; L85-E88 HydrophobicContact CD2-CB 4.45Å; L85-E88 WeakPolarHBondContact CD2-OE2 3.44Å; L85-E88 PolarHBondContact O-N 3.05Å; L85-R89 PolarHBondContact O-N 3.34Å
86	H	32.1	Very low	44.4	Very low	139 Å²	139	114.8 Å²	114.8	64%	0.644	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-24.5	177.8	-87.3	-83.1	0	0	0	113.4	A82 D84	A82-H86 PolarHBondContact O-CD2 3.3Å; A82-H86 VanDerWaalsContact O-CD2 3.31Å; D84-H86 PolarHBondContact O-N 3.31Å
87	A	28.7	Very low	47	Very low	77 Å²	77	112.3 Å²	112.3	64%	0.636	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-31.7	174.4	0	0	0	0	0	113.1	D84 L85 S90	D84-A87 PolarHBondContact O-N 3.04Å; L85-A87 VanDerWaalsContact C-N 3.26Å; L85-A87 PolarHBondContact O-N 2.67Å; A87-S90 PolarHBondContact O-OG 3.25Å
88	E	36.4	Very low	49.6	Very low	32 Å²	32	104.4 Å²	104.4	15%	0.15	55%	0.553	C	S	.	*	G	3₁₀ helix	trans	-90.2	-20.7	-171.3	-68	176.5	153.7	0	0	114.3	A10 L11 L85 S90 A91	A10-E88 HydrophobicContact CB-CG 4.34Å; A10-E88 WeakPolarHBondContact CB-OE1 3.48Å; L11-E88 WeakPolarHBondContact CA-OE1 3.17Å; L11-E88 WeakPolarHBondContact CD2-OE2 3.4Å; L11-E88 VanDerWaalsContact CG-OE1 3.28Å; L11-E88 WeakPolarHBondContact CG-OE1 3.38Å; L11-E88 PolarHBondContact N-OE1 3.19Å; L85-E88 HydrophobicContact CD2-CB 4.45Å; L85-E88 WeakPolarHBondContact CD2-OE2 3.44Å; L85-E88 PolarHBondContact O-N 3.05Å; E88-S90 PolarHBondContact O-N 2.93Å; E88-A91 PolarHBondContact O-N 2.93Å
89	R	36.7	Very low	52.1	Low	182 Å²	182	100 Å²	100	69%	0.687	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-56.9	-11.1	174.3	-104.1	179	166.5	169.2	-5.5	114.7	L85	L85-R89 PolarHBondContact O-N 3.34Å
90	S	35.1	Very low	54.6	Low	110 Å²	110	96.3 Å²	96.3	77%	0.769	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-77.5	-17.9	-179.8	56.9	0	0	0	0	114.8	A87 E88	A87-S90 PolarHBondContact O-OG 3.25Å; E88-S90 PolarHBondContact O-N 2.93Å
91	A	56.5	Low	57.3	Low	66 Å²	66	96.4 Å²	96.4	55%	0.545	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-21.6	-172.5	0	0	0	0	0	115.4	V7 E88	V7-A91 HydrophobicContact CG1-CB 4.39Å; V7-A91 HydrophobicContact CG2-CB 4.21Å; E88-A91 PolarHBondContact O-N 2.93Å
92	A	62.4	Low	59.8	Low	75 Å²	75	95.2 Å²	95.2	62%	0.62	51%	0.514	S	S	*	.			trans	-113.4	110.8	-175.9	0	0	0	0	0	111.6	V94	A92-V94 PolarHBondContact O-N 3.42Å
93	Q	79.9	Confident	62.6	Low	182 Å²	182	95.1 Å²	95.1	85%	0.85	51%	0.513	S	S	*	.			trans	-79.2	110.7	175.9	-170.5	178.8	29.4	0	0	110.8	V95	Q93-V95 HydrophobicContact CG-CG2 4.31Å
94	V	83.4	Confident	65.1	Low	125 Å²	125	88.5 Å²	88.5	76%	0.758	48%	0.482	S	S	*	.			trans	-83.6	118.7	171.7	-177.7	0	0	0	0	109.3	A92	A92-V94 PolarHBondContact O-N 3.42Å
95	V	83.6	Confident	67.8	Low	86 Å²	86	82.8 Å²	82.8	52%	0.521	45%	0.452	S	S	.	.			trans	-104.4	106.6	174.7	-179.6	0	0	0	0	109.1	Q93 V97 E104	Q93-V95 HydrophobicContact CG-CG2 4.31Å; V95-V97 PolarHBondContact O-N 3.5Å; V95-E104 HydrophobicContact CG1-CB 4.38Å; V95-E104 HydrophobicContact CG1-CG 4.32Å
96	E	83.7	Confident	70.5	Confident	96 Å²	96	87.6 Å²	87.6	45%	0.449	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-69.4	130.1	178.2	-173.8	56.9	-153.7	0	0	111.1	K234	E96-K234 HydrophobicContact CB-CB 4.21Å; E96-K234 HydrophobicContact CG-CB 3.6Å; E96-K234 WeakPolarHBondContact O-CD 3.27Å
97	V	84.8	Confident	73.3	Confident	30 Å²	30	87.4 Å²	87.4	18%	0.182	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-99.4	124.7	-173.7	-179.2	0	0	0	0	109.2	V95 P99 R102 E104 I105	V95-V97 PolarHBondContact O-N 3.5Å; V97-P99 WeakPolarHBondContact O-CD 3.4Å; V97-P99 VanDerWaalsContact O-N 3.15Å; V97-R102 HydrophobicContact CG1-CB 4.44Å; V97-R102 HydrophobicContact CG1-CG 4.49Å; V97-E104 HydrophobicContact CG1-CB 4.39Å; V97-E104 HydrophobicContact CG2-CB 4.19Å; V97-I105 HydrophobicContact CG1-CG1 4.34Å; V97-I105 HydrophobicContact CG1-CG2 4.05Å; V97-I105 HydrophobicContact CG2-CG2 3.74Å
98	N	85.1	Confident	76.3	Confident	10 Å²	10	83.9 Å²	83.9	5%	0.053	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-64.9	119.2	173.9	176.6	-66.3	0	0	0	109	V100 R101 R102 E104 K234 E239	N98-V100 PolarHBondContact O-N 3.03Å; N98-V100 WeakPolarHBondContact OD1-CB 3.35Å; N98-V100 PolarHBondContact OD1-N 3.23Å; N98-R101 HydrophobicContact CB-CB 4.42Å; N98-R101 PolarHBondContact OD1-N 2.85Å; N98-R102 VanDerWaalsContact O-CA 3.24Å; N98-R102 WeakPolarHBondContact O-CA 3.42Å; N98-R102 WeakPolarHBondContact O-CG 3.35Å; N98-R102 PolarHBondContact O-N 2.95Å; N98-E104 PolarHBondContact N-OE2 3.36Å; N98-E104 VanDerWaalsContact N-OE2 3.1Å; N98-K234 WeakPolarHBondContact CB-O 3.45Å; N98-K234 PolarHBondContact ND2-O 2.97Å; N98-E239 PolarHBondContact ND2-OE2 3.25Å
99	P	81.9	Confident	78.9	Confident	44 Å²	44	87.7 Å²	87.7	29%	0.286	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-18.5	-168.6	26.3	-34.1	0	0	0	113.7	L64 V97 R102 F235	L64-P99 VanDerWaalsContact CD2-O 3.28Å; L64-P99 WeakPolarHBondContact CD2-O 3.42Å; V97-P99 WeakPolarHBondContact O-CD 3.4Å; V97-P99 VanDerWaalsContact O-N 3.15Å; P99-R102 PolarHBondContact O-NE 3.25Å; P99-R102 PolarHBondContact O-NH2 3.34Å; P99-F235 HydrophobicContact CG-CE1 3.76Å; P99-F235 HydrophobicContact CG-CE2 3.78Å; P99-F235 HydrophobicContact CG-CZ 3.26Å
100	V	80.9	Confident	81.3	Confident	80 Å²	80	80.3 Å²	80.3	49%	0.485	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-55.8	179.1	-175.1	0	0	0	0	110.7	N98 F235	N98-V100 PolarHBondContact O-N 3.03Å; N98-V100 WeakPolarHBondContact OD1-CB 3.35Å; N98-V100 PolarHBondContact OD1-N 3.23Å; V100-F235 HydrophobicContact CG2-CE1 4.16Å
101	R	84.9	Confident	83.8	Confident	176 Å²	176	81.6 Å²	81.6	66%	0.664	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-32.1	-173.7	-61.5	-179.8	179.1	-152.4	-6.9	113.4	N98 A103 E239	N98-R101 HydrophobicContact CB-CB 4.42Å; N98-R101 PolarHBondContact OD1-N 2.85Å; R101-A103 PolarHBondContact O-N 3.18Å; R101-E239 IonicContact NE-OE1 3.86Å; R101-E239 PolarHBondContact NE-OE1 3.36Å
102	R	86.6	Confident	85.3	Confident	84 Å²	84	83.4 Å²	83.4	32%	0.317	43%	0.425	S	S	.	.			trans	46	38	179.8	-56.3	-176	-168.4	-177.5	5.5	113.1	A63 V97 N98 P99 E104 I105	A63-R102 PolarHBondContact O-NH2 3.49Å; V97-R102 HydrophobicContact CG1-CB 4.44Å; V97-R102 HydrophobicContact CG1-CG 4.49Å; N98-R102 VanDerWaalsContact O-CA 3.24Å; N98-R102 WeakPolarHBondContact O-CA 3.42Å; N98-R102 WeakPolarHBondContact O-CG 3.35Å; N98-R102 PolarHBondContact O-N 2.95Å; P99-R102 PolarHBondContact O-NE 3.25Å; P99-R102 PolarHBondContact O-NH2 3.34Å; R102-E104 VanDerWaalsContact C-N 3.28Å; R102-E104 PolarHBondContact O-N 3.2Å; R102-I105 HydrophobicContact CB-CD1 4.13Å; R102-I105 HydrophobicContact CB-CG1 3.9Å; R102-I105 WeakPolarHBondContact O-CG1 3.24Å
103	A	89.9	Confident	86.5	Confident	48 Å²	48	83 Å²	83	40%	0.397	42%	0.415	S	S	.	.			trans	-68.5	-34.5	-174.5	0	0	0	0	0	111	R101 I105 K106	R101-A103 PolarHBondContact O-N 3.18Å; A103-I105 VanDerWaalsContact C-N 3.3Å; A103-I105 PolarHBondContact O-N 3.01Å; A103-K106 WeakPolarHBondContact O-CB 3.25Å; A103-K106 WeakPolarHBondContact O-CG 3.4Å; A103-K106 PolarHBondContact O-N 3.46Å
104	E	85.1	Confident	86.9	Confident	46 Å²	46	76.3 Å²	76.3	22%	0.215	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-32.1	-177.7	-60.4	76.9	-169.2	0	0	112.4	V95 V97 N98 R102 F107 K234	V95-E104 HydrophobicContact CG1-CB 4.38Å; V95-E104 HydrophobicContact CG1-CG 4.32Å; V97-E104 HydrophobicContact CG1-CB 4.39Å; V97-E104 HydrophobicContact CG2-CB 4.19Å; N98-E104 PolarHBondContact N-OE2 3.36Å; N98-E104 VanDerWaalsContact N-OE2 3.1Å; R102-E104 VanDerWaalsContact C-N 3.28Å; R102-E104 PolarHBondContact O-N 3.2Å; E104-F107 WeakPolarHBondContact O-CD1 3.19Å; E104-F107 WeakPolarHBondContact O-CE1 3.28Å; E104-K234 WeakPolarHBondContact OE1-CE 3.33Å; E104-K234 IonicContact OE1-NZ 2.71Å; E104-K234 PolarHBondContact OE1-NZ 3.08Å
105	I	90.3	Very high	87	Confident	11 Å²	11	72.1 Å²	72.1	6%	0.056	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	14.3	179.3	62.6	161.4	0	0	0	113.5	V97 R102 A103 F107 S108 R111 V113 I115	V97-I105 HydrophobicContact CG1-CG1 4.34Å; V97-I105 HydrophobicContact CG1-CG2 4.05Å; V97-I105 HydrophobicContact CG2-CG2 3.74Å; R102-I105 HydrophobicContact CB-CD1 4.13Å; R102-I105 HydrophobicContact CB-CG1 3.9Å; R102-I105 WeakPolarHBondContact O-CG1 3.24Å; A103-I105 VanDerWaalsContact C-N 3.3Å; A103-I105 PolarHBondContact O-N 3.01Å; I105-F107 VanDerWaalsContact C-N 3.28Å; I105-F107 PolarHBondContact O-N 2.99Å; I105-S108 PolarHBondContact O-N 3.06Å; I105-R111 PolarHBondContact O-NH1 2.81Å; I105-R111 VanDerWaalsContact O-NH1 3.12Å; I105-V113 HydrophobicContact CD1-CG1 4.32Å; I105-V113 HydrophobicContact CG2-CG1 4.19Å; I105-I115 HydrophobicContact CB-CD1 4.21Å; I105-I115 HydrophobicContact CG2-CD1 4.11Å
106	K	92.1	Very high	87.3	Confident	140 Å²	140	70.8 Å²	70.8	61%	0.609	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-29.8	-178.4	-78.2	-177.5	177.1	-177.9	0	113.3	A103 S108 R111	A103-K106 WeakPolarHBondContact O-CB 3.25Å; A103-K106 WeakPolarHBondContact O-CG 3.4Å; A103-K106 PolarHBondContact O-N 3.46Å; K106-S108 VanDerWaalsContact C-N 3.28Å; K106-S108 PolarHBondContact O-N 3.49Å; K106-R111 PolarHBondContact O-NH1 2.78Å
107	F	92.4	Very high	87.5	Confident	135 Å²	135	70 Å²	70	59%	0.592	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-34.5	178.5	70	-95.2	0	0	0	113.6	E104 I105 V117	E104-F107 WeakPolarHBondContact O-CD1 3.19Å; E104-F107 WeakPolarHBondContact O-CE1 3.28Å; I105-F107 VanDerWaalsContact C-N 3.28Å; I105-F107 PolarHBondContact O-N 2.99Å; F107-V117 HydrophobicContact CE2-CG2 4.07Å; F107-V117 HydrophobicContact CZ-CG2 4.28Å
108	S	90.8	Very high	87.6	Confident	3 Å²	3	69.7 Å²	69.7	2%	0.021	35%	0.353	C	S	.	.	S	Bend	trans	-84.8	144.5	-177.2	167.2	0	0	0	0	111.6	I105 K106 Y110 R111 Q126	I105-S108 PolarHBondContact O-N 3.06Å; K106-S108 VanDerWaalsContact C-N 3.28Å; K106-S108 PolarHBondContact O-N 3.49Å; S108-Y110 VanDerWaalsContact C-N 3.3Å; S108-Y110 WeakPolarHBondContact OG-CB 3.47Å; S108-Y110 PolarHBondContact OG-N 2.95Å; S108-Y110 PolarHBondContact OG-O 3.32Å; S108-R111 PolarHBondContact O-NH1 2.86Å; S108-R111 PolarHBondContact O-NH2 2.91Å; S108-Q126 PolarHBondContact OG-NE2 2.73Å
109	S	90.6	Very high	87.6	Confident	112 Å²	112	76.7 Å²	76.7	78%	0.783	39%	0.385	S	S	*	.	S	Bend	trans	-70.8	-27	167.9	60.2	0	0	0	0	112.6
110	Y	88.3	Confident	87.5	Confident	27 Å²	27	79.3 Å²	79.3	11%	0.106	39%	0.393	C	S	.	.			trans	-78.4	123.2	178.8	-174	-100.9	0	0	0	110.8	S108 K112 I115 N128 D129 F170	S108-Y110 VanDerWaalsContact C-N 3.3Å; S108-Y110 WeakPolarHBondContact OG-CB 3.47Å; S108-Y110 PolarHBondContact OG-N 2.95Å; S108-Y110 PolarHBondContact OG-O 3.32Å; Y110-K112 HydrophobicContact CD1-CB 4.26Å; Y110-K112 WeakPolarHBondContact CD1-O 3.28Å; Y110-K112 HydrophobicContact CE1-CB 3.57Å; Y110-K112 HydrophobicContact CE1-CG 4.37Å; Y110-K112 WeakPolarHBondContact CE1-O 3.31Å; Y110-K112 HydrophobicContact CE2-CD 4.37Å; Y110-I115 HydrophobicContact CD1-CD1 4.16Å; Y110-I115 HydrophobicContact CD1-CG1 3.97Å; Y110-N128 WeakPolarHBondContact CB-OD1 3.27Å; Y110-N128 HydrophobicContact CD1-CB 3.85Å; Y110-N128 VanDerWaalsContact CD1-OD1 3.3Å; Y110-N128 WeakPolarHBondContact CD1-OD1 3.49Å; Y110-N128 HydrophobicContact CD2-CB 4.02Å; Y110-N128 HydrophobicContact CE1-CB 3.89Å; Y110-N128 HydrophobicContact CE2-CB 4.07Å; Y110-N128 HydrophobicContact CG-CB 3.9Å; Y110-D129 WeakPolarHBondContact OH-CA 3.36Å; Y110-D129 PolarHBondContact OH-N 3.29Å; Y110-F170 HydrophobicContact CD2-CZ 4.46Å; Y110-F170 AromaticContact CE2-CE2 3.81Å; Y110-F170 HydrophobicContact CE2-CE2 3.81Å; Y110-F170 AromaticContact CE2-CZ 3.97Å; Y110-F170 HydrophobicContact CE2-CZ 3.97Å
111	R	87.2	Confident	87.4	Confident	137 Å²	137	78.1 Å²	78.1	52%	0.517	40%	0.398	S	S	.	.			trans	-104.8	17.5	-170.6	-54.8	-56.4	-178.7	-171.4	-3.9	114.9	I105 K106 S108	I105-R111 PolarHBondContact O-NH1 2.81Å; I105-R111 VanDerWaalsContact O-NH1 3.12Å; K106-R111 PolarHBondContact O-NH1 2.78Å; S108-R111 PolarHBondContact O-NH1 2.86Å; S108-R111 PolarHBondContact O-NH2 2.91Å
112	K	87.5	Confident	87.2	Confident	104 Å²	104	78.8 Å²	78.8	45%	0.452	41%	0.408	S	S	.	.	S	Bend	trans	-110.6	166.4	171.1	-49.2	175.3	-174.4	169.5	0	109.3	Y110 I115	Y110-K112 HydrophobicContact CD1-CB 4.26Å; Y110-K112 WeakPolarHBondContact CD1-O 3.28Å; Y110-K112 HydrophobicContact CE1-CB 3.57Å; Y110-K112 HydrophobicContact CE1-CG 4.37Å; Y110-K112 WeakPolarHBondContact CE1-O 3.31Å; Y110-K112 HydrophobicContact CE2-CD 4.37Å; K112-I115 WeakPolarHBondContact O-CG1 3.48Å
113	V	86.8	Confident	86.9	Confident	66 Å²	66	77.6 Å²	77.6	40%	0.4	41%	0.413	S	S	.	.	S	Bend	trans	-123.6	154.2	173.5	-68.8	0	0	0	0	109.1	L70 I105	L70-V113 HydrophobicContact CD1-CB 4.26Å; L70-V113 HydrophobicContact CD1-CG2 3.72Å; I105-V113 HydrophobicContact CD1-CG1 4.32Å; I105-V113 HydrophobicContact CG2-CG1 4.19Å
114	P	89.6	Confident	86.8	Confident	43 Å²	43	79.3 Å²	79.3	28%	0.279	42%	0.422	S	S	.	.			cis	-71.5	159.7	-1.7	31	-35.8	0	0	0	113.7	I133	P114-I133 HydrophobicContact CB-CD1 4.24Å; P114-I133 HydrophobicContact CG-CD1 4.02Å
115	I	85.8	Confident	87	Confident	36 Å²	36	79.8 Å²	79.8	19%	0.185	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	135.9	167.4	-58	177.6	0	0	0	105.3	I105 Y110 K112 Q126	I105-I115 HydrophobicContact CB-CD1 4.21Å; I105-I115 HydrophobicContact CG2-CD1 4.11Å; Y110-I115 HydrophobicContact CD1-CD1 4.16Å; Y110-I115 HydrophobicContact CD1-CG1 3.97Å; K112-I115 WeakPolarHBondContact O-CG1 3.48Å; I115-Q126 HydrophobicContact CG2-CG 3.69Å
116	L	88.3	Confident	87	Confident	58 Å²	58	82.1 Å²	82.1	30%	0.304	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.6	174.8	-175.7	144	0	0	0	108.9	A118 Q126 L127 I133 L137	L116-A118 HydrophobicContact CD2-CB 4.09Å; L116-Q126 CarbonylContact O-C 3.6Å; L116-L127 HydrophobicContact CB-CB 4.37Å; L116-L127 HydrophobicContact CD2-CD1 3.9Å; L116-L127 PolarHBondContact N-O 2.92Å; L116-L127 PolarHBondContact O-N 3.1Å; L116-I133 HydrophobicContact CB-CD1 4.09Å; L116-I133 HydrophobicContact CB-CG1 4.2Å; L116-I133 HydrophobicContact CB-CG2 4.26Å; L116-I133 HydrophobicContact CD1-CG2 4.11Å; L116-L137 HydrophobicContact CD1-CD1 3.95Å
117	V	89.2	Confident	86.7	Confident	79 Å²	79	75.6 Å²	75.6	48%	0.479	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	114.8	170.5	-178.5	0	0	0	0	106.5	F107 Q126	F107-V117 HydrophobicContact CE2-CG2 4.07Å; F107-V117 HydrophobicContact CZ-CG2 4.28Å; V117-Q126 HydrophobicContact CG2-CB 4.47Å; V117-Q126 HydrophobicContact CG2-CG 4.15Å
118	A	86.5	Confident	86.7	Confident	25 Å²	25	70.5 Å²	70.5	21%	0.207	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	135	170.6	0	0	0	0	0	108.3	L116 S124 Q125 L147	L116-A118 HydrophobicContact CD2-CB 4.09Å; A118-S124 WeakPolarHBondContact O-CA 3.44Å; A118-Q125 PolarHBondContact N-O 3Å; A118-Q125 PolarHBondContact O-N 3.45Å; A118-L147 HydrophobicContact CB-CD2 3.39Å
119	Q	84.4	Confident	86.6	Confident	157 Å²	157	71.6 Å²	71.6	73%	0.734	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.1	122.7	175.7	-175.8	175.3	-0.7	0	0	109	G121 S123	Q119-G121 WeakPolarHBondContact CG-O 3.35Å; Q119-G121 PolarHBondContact NE2-O 3Å; Q119-G121 VanDerWaalsContact NE2-O 3.08Å; Q119-S123 WeakPolarHBondContact CA-O 3.14Å
120	E	81.1	Confident	86.6	Confident	98 Å²	98	68.2 Å²	68.2	46%	0.458	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	87.9	-179.1	-163.9	156.3	-138.2	0	0	107.1	E122 S123 Y140	E120-E122 PolarHBondContact O-N 2.87Å; E120-S123 PolarHBondContact N-O 3.3Å; E120-S123 PolarHBondContact O-N 3.44Å; E120-Y140 PolarHBondContact OE1-OH 3.29Å
121	G	79.4	Confident	86.6	Confident	56 Å²	56	67 Å²	67	58%	0.577	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	-122.8	-168	0	0	0	0	0	112.3	Q119	Q119-G121 WeakPolarHBondContact CG-O 3.35Å; Q119-G121 PolarHBondContact NE2-O 3Å; Q119-G121 VanDerWaalsContact NE2-O 3.08Å
122	E	79.3	Confident	86.9	Confident	189 Å²	189	60.7 Å²	60.7	88%	0.883	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-19	176.8	-60	-58.8	131.2	0	0	112.9	E120	E120-E122 PolarHBondContact O-N 2.87Å
123	S	81.1	Confident	86.9	Confident	60 Å²	60	56.5 Å²	56.5	42%	0.42	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	126.9	-179.2	-71.8	0	0	0	0	111	Q119 E120	Q119-S123 WeakPolarHBondContact CA-O 3.14Å; E120-S123 PolarHBondContact N-O 3.3Å; E120-S123 PolarHBondContact O-N 3.44Å
124	S	86.5	Confident	87.1	Confident	84 Å²	84	56.4 Å²	56.4	59%	0.587	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.5	172.8	64.6	0	0	0	0	110.7	A118	A118-S124 WeakPolarHBondContact O-CA 3.44Å
125	Q	89.7	Confident	87.2	Confident	56 Å²	56	54.3 Å²	54.3	26%	0.262	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	122.8	-177.4	-65.4	-62.1	-13.5	0	0	110	A118 L147 E148 I151	A118-Q125 PolarHBondContact N-O 3Å; A118-Q125 PolarHBondContact O-N 3.45Å; Q125-L147 HydrophobicContact CB-CD2 4.42Å; Q125-E148 HydrophobicContact CG-CB 4.22Å; Q125-E148 VanDerWaalsContact NE2-CB 3.32Å; Q125-I151 HydrophobicContact CB-CD1 3.75Å; Q125-I151 HydrophobicContact CG-CD1 4.35Å
126	Q	90.4	Very high	87.4	Confident	60 Å²	60	52.6 Å²	52.6	28%	0.28	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	113.4	-178.8	-170.9	-171.2	-52.4	0	0	111.8	S108 I115 L116 V117 N128	S108-Q126 PolarHBondContact OG-NE2 2.73Å; I115-Q126 HydrophobicContact CG2-CG 3.69Å; L116-Q126 CarbonylContact O-C 3.6Å; V117-Q126 HydrophobicContact CG2-CB 4.47Å; V117-Q126 HydrophobicContact CG2-CG 4.15Å; Q126-N128 PolarHBondContact NE2-ND2 3.12Å; Q126-N128 PolarHBondContact NE2-OD1 3.16Å
127	L	87	Confident	87.4	Confident	3 Å²	3	52.3 Å²	52.3	2%	0.016	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	137.8	170.5	-73	159.4	0	0	0	111	L116 V132 I133 A136 L137 L147 I151	L116-L127 HydrophobicContact CB-CB 4.37Å; L116-L127 HydrophobicContact CD2-CD1 3.9Å; L116-L127 PolarHBondContact N-O 2.92Å; L116-L127 PolarHBondContact O-N 3.1Å; L127-V132 HydrophobicContact CD2-CG1 4.37Å; L127-I133 HydrophobicContact CB-CG1 3.62Å; L127-A136 HydrophobicContact CD1-CB 4.44Å; L127-A136 HydrophobicContact CD2-CB 3.56Å; L127-L137 HydrophobicContact CD1-CD2 4.2Å; L127-L137 HydrophobicContact CD1-CG 4.22Å; L127-L147 HydrophobicContact CD1-CD1 4.33Å; L127-L147 HydrophobicContact CD1-CD2 3.97Å; L127-L147 HydrophobicContact CD1-CG 4.49Å; L127-I151 HydrophobicContact CD2-CD1 4.07Å; L127-I151 HydrophobicContact CD2-CG1 3.6Å; L127-I151 HydrophobicContact CG-CD1 4.17Å; L127-I151 HydrophobicContact CG-CG1 4.26Å
128	N	91.4	Very high	87.3	Confident	27 Å²	27	50.8 Å²	50.8	14%	0.144	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	157	-179.4	-62.5	-68.1	0	0	0	109.2	Y110 Q126 V132 F170	Y110-N128 WeakPolarHBondContact CB-OD1 3.27Å; Y110-N128 HydrophobicContact CD1-CB 3.85Å; Y110-N128 VanDerWaalsContact CD1-OD1 3.3Å; Y110-N128 WeakPolarHBondContact CD1-OD1 3.49Å; Y110-N128 HydrophobicContact CD2-CB 4.02Å; Y110-N128 HydrophobicContact CE1-CB 3.89Å; Y110-N128 HydrophobicContact CE2-CB 4.07Å; Y110-N128 HydrophobicContact CG-CB 3.9Å; Q126-N128 PolarHBondContact NE2-ND2 3.12Å; Q126-N128 PolarHBondContact NE2-OD1 3.16Å; N128-V132 WeakPolarHBondContact O-CB 3.12Å; N128-F170 HydrophobicContact CB-CE1 4.43Å; N128-F170 HydrophobicContact CB-CZ 3.87Å
129	D	89.4	Confident	87.5	Confident	26 Å²	26	49.6 Å²	49.6	14%	0.139	27%	0.272	C	S	.	.	S	Bend	trans	68	130.6	-171.7	-171	-80.1	0	0	0	113.8	Y110 S131 V132 I133 F170	Y110-D129 WeakPolarHBondContact OH-CA 3.36Å; Y110-D129 PolarHBondContact OH-N 3.29Å; D129-S131 VanDerWaalsContact C-N 3.34Å; D129-S131 PolarHBondContact O-N 2.79Å; D129-S131 PolarHBondContact OD1-N 2.82Å; D129-V132 HydrophobicContact CB-CB 4.17Å; D129-V132 HydrophobicContact CB-CG2 3.99Å; D129-V132 PolarHBondContact O-N 3.32Å; D129-V132 PolarHBondContact OD1-N 2.95Å; D129-I133 WeakPolarHBondContact O-CB 3.21Å; D129-I133 WeakPolarHBondContact O-CD1 3.3Å; D129-I133 VanDerWaalsContact O-CG1 3.23Å; D129-I133 WeakPolarHBondContact O-CG1 3.38Å; D129-I133 PolarHBondContact O-N 2.68Å; D129-F170 HydrophobicContact CB-CD2 3.61Å; D129-F170 HydrophobicContact CB-CE2 3.71Å; D129-F170 HydrophobicContact CB-CG 4.31Å; D129-F170 HydrophobicContact CB-CZ 4.46Å
130	S	88.9	Confident	87.8	Confident	41 Å²	41	44.2 Å²	44.2	29%	0.287	25%	0.245	S	C	.	.	H	α-helix	trans	-62.7	-38.6	-175.4	42.3	0	0	0	0	113.1	I134	S130-I134 WeakPolarHBondContact O-CD1 3.38Å; S130-I134 VanDerWaalsContact O-CG1 3.27Å; S130-I134 WeakPolarHBondContact O-CG1 3.35Å; S130-I134 PolarHBondContact O-N 3.03Å; S130-I134 VanDerWaalsContact O-N 3.16Å
131	S	89.9	Confident	88.1	Confident	3 Å²	3	42.3 Å²	42.3	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-76.7	-34.2	-177.2	-83	0	0	0	0	111.2	D129 S135 K173 Y174 R200 D204	D129-S131 VanDerWaalsContact C-N 3.34Å; D129-S131 PolarHBondContact O-N 2.79Å; D129-S131 PolarHBondContact OD1-N 2.82Å; S131-S135 WeakPolarHBondContact O-CB 3.35Å; S131-S135 PolarHBondContact O-N 2.92Å; S131-S135 PolarHBondContact O-OG 2.77Å; S131-S135 VanDerWaalsContact O-OG 3.07Å; S131-K173 CarbonylContact C-O 3.6Å; S131-K173 VanDerWaalsContact O-O 3.09Å; S131-Y174 WeakPolarHBondContact OG-CE1 3.31Å; S131-R200 PolarHBondContact O-NH2 3.37Å; S131-R200 VanDerWaalsContact O-NH2 3.08Å; S131-D204 PolarHBondContact OG-OD2 3.25Å
132	V	92.6	Very high	88.5	Confident	4 Å²	4	41.1 Å²	41.1	2%	0.024	22%	0.22	C	C	.	.	H	α-helix	trans	-66.8	-47.2	170.1	176.3	0	0	0	0	111.8	L127 N128 D129 I134 S135 A136 Y154 F170 K173	L127-V132 HydrophobicContact CD2-CG1 4.37Å; N128-V132 WeakPolarHBondContact O-CB 3.12Å; D129-V132 HydrophobicContact CB-CB 4.17Å; D129-V132 HydrophobicContact CB-CG2 3.99Å; D129-V132 PolarHBondContact O-N 3.32Å; D129-V132 PolarHBondContact OD1-N 2.95Å; V132-I134 VanDerWaalsContact C-N 3.26Å; V132-I134 PolarHBondContact O-N 3.34Å; V132-S135 PolarHBondContact O-N 2.89Å; V132-S135 VanDerWaalsContact O-N 3.08Å; V132-A136 WeakPolarHBondContact O-CB 3.36Å; V132-A136 PolarHBondContact O-N 3.45Å; V132-Y154 HydrophobicContact CG1-CD1 4.48Å; V132-Y154 HydrophobicContact CG1-CD2 4.41Å; V132-Y154 HydrophobicContact CG1-CG 3.96Å; V132-F170 HydrophobicContact CG2-CB 3.38Å; V132-F170 HydrophobicContact CG2-CD1 4.04Å; V132-F170 HydrophobicContact CG2-CD2 4.37Å; V132-F170 HydrophobicContact CG2-CG 3.69Å; V132-K173 HydrophobicContact CG2-CB 3.6Å
133	I	88.7	Confident	89	Confident	15 Å²	15	33.3 Å²	33.3	8%	0.077	19%	0.186	C	C	.	.	H	α-helix	trans	-52.5	-47.6	176.4	-72.8	159.3	0	0	0	110.2	P114 L116 L127 D129 L137	P114-I133 HydrophobicContact CB-CD1 4.24Å; P114-I133 HydrophobicContact CG-CD1 4.02Å; L116-I133 HydrophobicContact CB-CD1 4.09Å; L116-I133 HydrophobicContact CB-CG1 4.2Å; L116-I133 HydrophobicContact CB-CG2 4.26Å; L116-I133 HydrophobicContact CD1-CG2 4.11Å; L127-I133 HydrophobicContact CB-CG1 3.62Å; D129-I133 WeakPolarHBondContact O-CB 3.21Å; D129-I133 WeakPolarHBondContact O-CD1 3.3Å; D129-I133 VanDerWaalsContact O-CG1 3.23Å; D129-I133 WeakPolarHBondContact O-CG1 3.38Å; D129-I133 PolarHBondContact O-N 2.68Å; I133-L137 HydrophobicContact CG2-CD1 3.87Å; I133-L137 VanDerWaalsContact O-CB 3.28Å; I133-L137 WeakPolarHBondContact O-CB 3.34Å; I133-L137 VanDerWaalsContact O-CG 3.27Å; I133-L137 WeakPolarHBondContact O-CG 3.48Å; I133-L137 PolarHBondContact O-N 2.73Å
134	I	89.2	Confident	89.4	Confident	64 Å²	64	33.4 Å²	33.4	33%	0.328	20%	0.196	S	C	.	.	H	α-helix	trans	-63	-45.6	177.7	-67.8	164.9	0	0	0	111.3	S130 V132 K138	S130-I134 WeakPolarHBondContact O-CD1 3.38Å; S130-I134 VanDerWaalsContact O-CG1 3.27Å; S130-I134 WeakPolarHBondContact O-CG1 3.35Å; S130-I134 PolarHBondContact O-N 3.03Å; S130-I134 VanDerWaalsContact O-N 3.16Å; V132-I134 VanDerWaalsContact C-N 3.26Å; V132-I134 PolarHBondContact O-N 3.34Å; I134-K138 WeakPolarHBondContact O-CB 3.24Å; I134-K138 PolarHBondContact O-N 3.1Å
135	S	91.8	Very high	89.6	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-68.3	-45.4	-177.8	-66.8	0	0	0	0	113.6	S131 V132 K138 T139 Y154 K173 R200	S131-S135 WeakPolarHBondContact O-CB 3.35Å; S131-S135 PolarHBondContact O-N 2.92Å; S131-S135 PolarHBondContact O-OG 2.77Å; S131-S135 VanDerWaalsContact O-OG 3.07Å; V132-S135 PolarHBondContact O-N 2.89Å; V132-S135 VanDerWaalsContact O-N 3.08Å; S135-K138 PolarHBondContact O-N 3.17Å; S135-T139 WeakPolarHBondContact O-CB 3.43Å; S135-T139 PolarHBondContact O-N 2.89Å; S135-T139 PolarHBondContact O-OG1 3.27Å; S135-Y154 WeakPolarHBondContact CB-OH 3.31Å; S135-K173 PolarHBondContact OG-O 2.81Å; S135-R200 PolarHBondContact OG-NH2 3.47Å
136	A	91.1	Very high	89.6	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.1	-48	179.9	0	0	0	0	0	111	L127 V132 T139 Y140 I150 Y154	L127-A136 HydrophobicContact CD1-CB 4.44Å; L127-A136 HydrophobicContact CD2-CB 3.56Å; V132-A136 WeakPolarHBondContact O-CB 3.36Å; V132-A136 PolarHBondContact O-N 3.45Å; A136-T139 WeakPolarHBondContact O-CB 3.47Å; A136-T139 PolarHBondContact O-N 3.39Å; A136-Y140 PolarHBondContact O-N 3.07Å; A136-I150 HydrophobicContact CB-CG2 3.88Å; A136-Y154 HydrophobicContact CB-CD2 4.16Å; A136-Y154 HydrophobicContact CB-CE2 3.99Å
137	L	87.6	Confident	89.6	Confident	51 Å²	51	29.1 Å²	29.1	27%	0.267	17%	0.171	S	C	.	.	H	α-helix	trans	-61.8	-48.6	174.7	-69.4	177.4	0	0	0	111	L116 L127 I133 T139 Y140 L141 L147	L116-L137 HydrophobicContact CD1-CD1 3.95Å; L127-L137 HydrophobicContact CD1-CD2 4.2Å; L127-L137 HydrophobicContact CD1-CG 4.22Å; I133-L137 HydrophobicContact CG2-CD1 3.87Å; I133-L137 VanDerWaalsContact O-CB 3.28Å; I133-L137 WeakPolarHBondContact O-CB 3.34Å; I133-L137 VanDerWaalsContact O-CG 3.27Å; I133-L137 WeakPolarHBondContact O-CG 3.48Å; I133-L137 PolarHBondContact O-N 2.73Å; L137-T139 PolarHBondContact O-N 3.28Å; L137-Y140 WeakPolarHBondContact O-CA 3.27Å; L137-Y140 WeakPolarHBondContact O-CB 3.35Å; L137-Y140 PolarHBondContact O-N 3.33Å; L137-L141 VanDerWaalsContact O-CG 3.28Å; L137-L141 WeakPolarHBondContact O-CG 3.15Å; L137-L141 PolarHBondContact O-N 2.81Å; L137-L147 HydrophobicContact CD2-CD1 4.44Å
138	K	87	Confident	89.8	Confident	47 Å²	47	33.6 Å²	33.6	20%	0.204	19%	0.191	C	C	.	.	H	α-helix	trans	-61.8	-31.4	-179.6	-178.9	58.6	-176.9	173.9	0	112.7	I134 S135 V142 L176	I134-K138 WeakPolarHBondContact O-CB 3.24Å; I134-K138 PolarHBondContact O-N 3.1Å; S135-K138 PolarHBondContact O-N 3.17Å; K138-V142 HydrophobicContact CD-CG2 4.31Å; K138-V142 VanDerWaalsContact O-CG2 3.31Å; K138-V142 WeakPolarHBondContact O-CG2 3.28Å; K138-L176 HydrophobicContact CB-CD1 4.42Å; K138-L176 HydrophobicContact CB-CD2 3.94Å; K138-L176 HydrophobicContact CG-CD1 3.59Å; K138-L176 HydrophobicContact CG-CD2 4Å; K138-L176 HydrophobicContact CG-CG 4.47Å
139	T	91.3	Very high	89.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.9	-54.4	169.2	-61.3	0	0	0	0	110.3	S135 A136 L137 L141 V142 S143 I150 M177 L178	S135-T139 WeakPolarHBondContact O-CB 3.43Å; S135-T139 PolarHBondContact O-N 2.89Å; S135-T139 PolarHBondContact O-OG1 3.27Å; A136-T139 WeakPolarHBondContact O-CB 3.47Å; A136-T139 PolarHBondContact O-N 3.39Å; L137-T139 PolarHBondContact O-N 3.28Å; T139-L141 VanDerWaalsContact C-N 3.3Å; T139-L141 PolarHBondContact O-N 3.47Å; T139-V142 PolarHBondContact O-N 3.39Å; T139-S143 PolarHBondContact O-N 2.96Å; T139-S143 PolarHBondContact O-OG 3.05Å; T139-I150 HydrophobicContact CG2-CD1 3.95Å; T139-I150 HydrophobicContact CG2-CG1 4.08Å; T139-I150 HydrophobicContact CG2-CG2 4.04Å; T139-M177 HydrophobicContact CG2-CB 4.04Å; T139-M177 VanDerWaalsContact CG2-O 3.31Å; T139-M177 WeakPolarHBondContact CG2-O 3.46Å; T139-M177 PolarHBondContact OG1-N 2.92Å; T139-M177 VanDerWaalsContact OG1-N 3.1Å; T139-L178 HydrophobicContact CG2-CD2 4.19Å
140	Y	89.8	Confident	90.1	Very high	44 Å²	44	35.3 Å²	35.3	17%	0.173	20%	0.198	C	C	.	.	H	α-helix	trans	-52.5	-43.9	177.5	177	-87.9	0	0	0	112.4	V8 E120 A136 L137 V142 G144 Q145 L147 I150	V8-Y140 HydrophobicContact CG2-CE1 4.32Å; E120-Y140 PolarHBondContact OE1-OH 3.29Å; A136-Y140 PolarHBondContact O-N 3.07Å; L137-Y140 WeakPolarHBondContact O-CA 3.27Å; L137-Y140 WeakPolarHBondContact O-CB 3.35Å; L137-Y140 PolarHBondContact O-N 3.33Å; Y140-V142 PolarHBondContact O-N 2.71Å; Y140-V142 VanDerWaalsContact O-N 3.14Å; Y140-G144 WeakPolarHBondContact O-CA 3.43Å; Y140-G144 PolarHBondContact O-N 2.83Å; Y140-G144 VanDerWaalsContact O-N 3.07Å; Y140-Q145 WeakPolarHBondContact CD2-O 3.17Å; Y140-L147 HydrophobicContact CD2-CB 4.05Å; Y140-L147 HydrophobicContact CD2-CD1 4.25Å; Y140-L147 HydrophobicContact CE2-CB 4.36Å; Y140-L147 HydrophobicContact CG-CD1 4.35Å; Y140-I150 HydrophobicContact CD2-CD1 4.28Å; Y140-I150 HydrophobicContact CG-CD1 4.47Å
141	L	87.6	Confident	90.3	Very high	58 Å²	58	35.4 Å²	35.4	30%	0.304	20%	0.195	S	C	.	.	H	α-helix	trans	-61.8	-21.9	178.8	-56.6	-170	0	0	0	114	V8 L11 L137 T139	V8-L141 HydrophobicContact CB-CD2 3.99Å; V8-L141 HydrophobicContact CG1-CB 3.79Å; V8-L141 HydrophobicContact CG1-CD2 3.6Å; V8-L141 HydrophobicContact CG1-CG 4.17Å; V8-L141 HydrophobicContact CG2-CD2 3.37Å; L11-L141 HydrophobicContact CD1-CD1 4.43Å; L137-L141 VanDerWaalsContact O-CG 3.28Å; L137-L141 WeakPolarHBondContact O-CG 3.15Å; L137-L141 PolarHBondContact O-N 2.81Å; T139-L141 VanDerWaalsContact C-N 3.3Å; T139-L141 PolarHBondContact O-N 3.47Å
142	V	88.6	Confident	90.6	Very high	32 Å²	32	39.9 Å²	39.9	19%	0.194	22%	0.222	C	C	.	.	H	α-helix	trans	-111.3	-47.7	-170.3	175.2	0	0	0	0	111.8	K138 T139 Y140 L178 E182 V186	K138-V142 HydrophobicContact CD-CG2 4.31Å; K138-V142 VanDerWaalsContact O-CG2 3.31Å; K138-V142 WeakPolarHBondContact O-CG2 3.28Å; T139-V142 PolarHBondContact O-N 3.39Å; Y140-V142 PolarHBondContact O-N 2.71Å; Y140-V142 VanDerWaalsContact O-N 3.14Å; V142-L178 HydrophobicContact CB-CD2 3.85Å; V142-L178 HydrophobicContact CG1-CD1 4.15Å; V142-L178 HydrophobicContact CG1-CD2 3.75Å; V142-E182 HydrophobicContact CG1-CB 3.86Å; V142-E182 HydrophobicContact CG1-CG 4.05Å; V142-V186 HydrophobicContact CB-CG2 4.37Å; V142-V186 HydrophobicContact CG1-CG2 3.66Å; V142-V186 HydrophobicContact CG2-CG2 3.78Å
143	S	90.4	Very high	90.7	Very high	25 Å²	25	44 Å²	44	18%	0.175	24%	0.238	C	C	.	.	H	α-helix	trans	-84.2	-24.2	179.6	69.4	0	0	0	0	113.1	T139 Q145 E182	T139-S143 PolarHBondContact O-N 2.96Å; T139-S143 PolarHBondContact O-OG 3.05Å; S143-Q145 PolarHBondContact O-N 3.1Å; S143-Q145 WeakPolarHBondContact OG-CG 3.39Å; S143-Q145 PolarHBondContact OG-N 3.16Å; S143-Q145 PolarHBondContact OG-OE1 3.29Å; S143-E182 WeakPolarHBondContact CA-OE1 3.39Å; S143-E182 WeakPolarHBondContact CB-OE1 3.45Å; S143-E182 WeakPolarHBondContact CB-OE2 3.2Å
144	G	87.9	Confident	91.1	Very high	61 Å²	61	43.6 Å²	43.6	63%	0.629	24%	0.236	S	C	*	.			trans	65.6	12.3	-174.1	0	0	0	0	0	114.3	Y140	Y140-G144 WeakPolarHBondContact O-CA 3.43Å; Y140-G144 PolarHBondContact O-N 2.83Å; Y140-G144 VanDerWaalsContact O-N 3.07Å
145	Q	90.6	Very high	91.4	Very high	57 Å²	57	43.4 Å²	43.4	27%	0.266	24%	0.238	S	C	.	.			trans	-65.6	148.5	172.8	-69.8	173.4	-64.1	0	0	110.6	Y140 S143 I150	Y140-Q145 WeakPolarHBondContact CD2-O 3.17Å; S143-Q145 PolarHBondContact O-N 3.1Å; S143-Q145 WeakPolarHBondContact OG-CG 3.39Å; S143-Q145 PolarHBondContact OG-N 3.16Å; S143-Q145 PolarHBondContact OG-OE1 3.29Å; Q145-I150 HydrophobicContact CB-CD1 3.99Å; Q145-I150 HydrophobicContact CB-CG1 3.98Å; Q145-I150 VanDerWaalsContact O-CD1 3.31Å; Q145-I150 WeakPolarHBondContact O-CD1 3.24Å
146	P	91.4	Very high	91.4	Very high	46 Å²	46	46.5 Å²	46.5	30%	0.299	26%	0.264	S	S	.	.			trans	-63.8	141.4	179.8	29.7	-36.3	0	0	0	110.6	E148 E149 I150	P146-E148 HydrophobicContact CB-CG 4.25Å; P146-E148 PolarHBondContact O-N 3.08Å; P146-E149 HydrophobicContact CG-CB 4.23Å; P146-E149 HydrophobicContact CG-CG 3.82Å; P146-E149 PolarHBondContact O-N 2.79Å; P146-E149 VanDerWaalsContact O-N 3.15Å; P146-I150 PolarHBondContact O-N 3.02Å
147	L	89.3	Confident	91.4	Very high	7 Å²	7	51.1 Å²	51.1	4%	0.037	29%	0.287	C	S	.	.	H	α-helix	trans	-64.4	-28.7	-169.6	-167.6	65.9	0	0	0	112.9	A118 Q125 L127 L137 Y140 I150 I151	A118-L147 HydrophobicContact CB-CD2 3.39Å; Q125-L147 HydrophobicContact CB-CD2 4.42Å; L127-L147 HydrophobicContact CD1-CD1 4.33Å; L127-L147 HydrophobicContact CD1-CD2 3.97Å; L127-L147 HydrophobicContact CD1-CG 4.49Å; L137-L147 HydrophobicContact CD2-CD1 4.44Å; Y140-L147 HydrophobicContact CD2-CB 4.05Å; Y140-L147 HydrophobicContact CD2-CD1 4.25Å; Y140-L147 HydrophobicContact CE2-CB 4.36Å; Y140-L147 HydrophobicContact CG-CD1 4.35Å; L147-I150 PolarHBondContact O-N 2.82Å; L147-I151 HydrophobicContact CG-CD1 4.11Å; L147-I151 HydrophobicContact CG-CG1 4.48Å; L147-I151 WeakPolarHBondContact O-CD1 3.1Å; L147-I151 VanDerWaalsContact O-CG1 3.24Å; L147-I151 WeakPolarHBondContact O-CG1 3.41Å; L147-I151 PolarHBondContact O-N 3.3Å
148	E	91.8	Very high	91.5	Very high	97 Å²	97	56.6 Å²	56.6	45%	0.453	31%	0.308	S	S	.	.	H	α-helix	trans	-61.2	-40.2	176.4	67.3	-165.4	173	0	0	113.2	Q125 P146 T152	Q125-E148 HydrophobicContact CG-CB 4.22Å; Q125-E148 VanDerWaalsContact NE2-CB 3.32Å; P146-E148 HydrophobicContact CB-CG 4.25Å; P146-E148 PolarHBondContact O-N 3.08Å; E148-T152 WeakPolarHBondContact O-CG2 3.23Å
149	E	93.2	Very high	91.3	Very high	90 Å²	90	56.3 Å²	56.3	42%	0.421	32%	0.315	S	S	.	.	H	α-helix	trans	-67.8	-46.3	173.5	-71.5	179.2	-170.2	0	0	110.7	P146 I151 T152	P146-E149 HydrophobicContact CG-CB 4.23Å; P146-E149 HydrophobicContact CG-CG 3.82Å; P146-E149 PolarHBondContact O-N 2.79Å; P146-E149 VanDerWaalsContact O-N 3.15Å; E149-I151 VanDerWaalsContact C-N 3.27Å; E149-I151 PolarHBondContact O-N 3.4Å; E149-T152 WeakPolarHBondContact O-CB 3.27Å; E149-T152 PolarHBondContact O-N 2.6Å; E149-T152 PolarHBondContact O-OG1 2.98Å
150	I	93.8	Very high	91.1	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-59.2	-39.1	-177.1	-63.9	169.4	0	0	0	111.4	A136 T139 Y140 Q145 P146 L147 T152 Y153 Y154	A136-I150 HydrophobicContact CB-CG2 3.88Å; T139-I150 HydrophobicContact CG2-CD1 3.95Å; T139-I150 HydrophobicContact CG2-CG1 4.08Å; T139-I150 HydrophobicContact CG2-CG2 4.04Å; Y140-I150 HydrophobicContact CD2-CD1 4.28Å; Y140-I150 HydrophobicContact CG-CD1 4.47Å; Q145-I150 HydrophobicContact CB-CD1 3.99Å; Q145-I150 HydrophobicContact CB-CG1 3.98Å; Q145-I150 VanDerWaalsContact O-CD1 3.31Å; Q145-I150 WeakPolarHBondContact O-CD1 3.24Å; P146-I150 PolarHBondContact O-N 3.02Å; L147-I150 PolarHBondContact O-N 2.82Å; I150-T152 PolarHBondContact O-N 3.34Å; I150-Y153 PolarHBondContact O-N 2.89Å; I150-Y154 HydrophobicContact CG2-CD2 4.5Å; I150-Y154 HydrophobicContact CG2-CE2 3.89Å; I150-Y154 VanDerWaalsContact O-CD2 3.25Å; I150-Y154 WeakPolarHBondContact O-CD2 3.46Å
151	I	93.4	Very high	90.8	Very high	42 Å²	42	62.9 Å²	62.9	22%	0.215	36%	0.356	C	S	.	.	H	α-helix	trans	-60.1	-34.1	178.4	-72.5	162.4	0	0	0	111.9	Q125 L127 L147 E149 Y153 Y154	Q125-I151 HydrophobicContact CB-CD1 3.75Å; Q125-I151 HydrophobicContact CG-CD1 4.35Å; L127-I151 HydrophobicContact CD2-CD1 4.07Å; L127-I151 HydrophobicContact CD2-CG1 3.6Å; L127-I151 HydrophobicContact CG-CD1 4.17Å; L127-I151 HydrophobicContact CG-CG1 4.26Å; L147-I151 HydrophobicContact CG-CD1 4.11Å; L147-I151 HydrophobicContact CG-CG1 4.48Å; L147-I151 WeakPolarHBondContact O-CD1 3.1Å; L147-I151 VanDerWaalsContact O-CG1 3.24Å; L147-I151 WeakPolarHBondContact O-CG1 3.41Å; L147-I151 PolarHBondContact O-N 3.3Å; E149-I151 VanDerWaalsContact C-N 3.27Å; E149-I151 PolarHBondContact O-N 3.4Å; I151-Y153 PolarHBondContact O-N 2.94Å; I151-Y154 PolarHBondContact O-N 3.39Å
152	T	95.6	Very high	90.4	Very high	98 Å²	98	69.4 Å²	69.4	60%	0.601	39%	0.385	S	S	*	.	H	α-helix	trans	-61.5	-27.8	-179.5	72.4	0	0	0	0	113	E148 E149 I150 Y154	E148-T152 WeakPolarHBondContact O-CG2 3.23Å; E149-T152 WeakPolarHBondContact O-CB 3.27Å; E149-T152 PolarHBondContact O-N 2.6Å; E149-T152 PolarHBondContact O-OG1 2.98Å; I150-T152 PolarHBondContact O-N 3.34Å; T152-Y154 PolarHBondContact O-N 2.75Å
153	Y	95.8	Very high	89.9	Confident	90 Å²	90	75 Å²	75	35%	0.353	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-8.7	178.6	-53.9	-45.1	0	0	0	114.1	I150 I151 P155 N172 M177	I150-Y153 PolarHBondContact O-N 2.89Å; I151-Y153 PolarHBondContact O-N 2.94Å; Y153-P155 VanDerWaalsContact O-CD 3.24Å; Y153-P155 WeakPolarHBondContact O-CD 3.48Å; Y153-N172 PolarHBondContact O-ND2 3.08Å; Y153-M177 HydrophobicContact CD2-CB 3.71Å; Y153-M177 HydrophobicContact CD2-CG 3.7Å; Y153-M177 HydrophobicContact CE2-CB 4.26Å; Y153-M177 HydrophobicContact CG-CB 4.39Å; Y153-M177 HydrophobicContact CG-CG 3.92Å; Y153-M177 HydrophobicContact CG-SD 4.38Å
154	Y	95.8	Very high	89.6	Confident	7 Å²	7	76.8 Å²	76.8	3%	0.027	43%	0.432	C	S	.	.	S	Bend	trans	-116.8	61.4	178.5	-57.9	-76.8	0	0	0	111.7	V132 S135 A136 I150 I151 T152 G171 N172 W175 M177	V132-Y154 HydrophobicContact CG1-CD1 4.48Å; V132-Y154 HydrophobicContact CG1-CD2 4.41Å; V132-Y154 HydrophobicContact CG1-CG 3.96Å; S135-Y154 WeakPolarHBondContact CB-OH 3.31Å; A136-Y154 HydrophobicContact CB-CD2 4.16Å; A136-Y154 HydrophobicContact CB-CE2 3.99Å; I150-Y154 HydrophobicContact CG2-CD2 4.5Å; I150-Y154 HydrophobicContact CG2-CE2 3.89Å; I150-Y154 VanDerWaalsContact O-CD2 3.25Å; I150-Y154 WeakPolarHBondContact O-CD2 3.46Å; I151-Y154 PolarHBondContact O-N 3.39Å; T152-Y154 PolarHBondContact O-N 2.75Å; Y154-G171 WeakPolarHBondContact CA-O 3.49Å; Y154-N172 HydrophobicContact CD1-CB 4.13Å; Y154-N172 HydrophobicContact CE1-CB 4.24Å; Y154-N172 WeakPolarHBondContact CE1-O 3.16Å; Y154-W175 VanDerWaalsContact CE1-O 3.27Å; Y154-W175 WeakPolarHBondContact CE1-O 3.42Å; Y154-W175 PolarHBondContact OH-O 2.69Å; Y154-M177 HydrophobicContact CE1-CE 4.32Å; Y154-M177 HydrophobicContact CE2-CG 4.21Å
155	P	95.1	Very high	89.5	Confident	60 Å²	60	80.7 Å²	80.7	39%	0.39	43%	0.431	S	S	.	.			trans	-65.7	139.4	-172.3	28.1	-36.2	0	0	0	112.4	Y153 M157 F170 G171	Y153-P155 VanDerWaalsContact O-CD 3.24Å; Y153-P155 WeakPolarHBondContact O-CD 3.48Å; P155-M157 PolarHBondContact O-N 3.07Å; P155-F170 WeakPolarHBondContact O-CA 3.34Å; P155-G171 PolarHBondContact O-N 3.25Å
156	A	93.4	Very high	89.3	Confident	64 Å²	64	84.4 Å²	84.4	53%	0.529	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	105.3	172.4	0	0	0	0	0	110.4	T168 F170	A156-T168 HydrophobicContact CB-CG2 3.92Å; A156-F170 HydrophobicContact CB-CD1 4.12Å; A156-F170 HydrophobicContact CB-CE1 3.72Å; A156-F170 HydrophobicContact CB-CZ 4.21Å
157	M	91	Very high	89	Confident	98 Å²	98	83.8 Å²	83.8	48%	0.483	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	131.7	178.4	-57.3	-175.3	-59	0	0	109.8	P155 T168 E169	P155-M157 PolarHBondContact O-N 3.07Å; M157-T168 WeakPolarHBondContact O-CA 3.42Å; M157-E169 PolarHBondContact N-O 2.82Å; M157-E169 PolarHBondContact O-N 3.48Å; M157-E169 VanDerWaalsContact O-O 3.09Å
158	K	88.6	Confident	89	Confident	166 Å²	166	86.1 Å²	86.1	72%	0.722	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	112.9	170.2	-66.3	-175.4	-179.2	-173.5	0	109
159	A	83.3	Confident	88.8	Confident	41 Å²	41	86.4 Å²	86.4	34%	0.339	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	147.7	171.4	0	0	0	0	0	110	E166 V167	A159-E166 WeakPolarHBondContact O-CA 3.44Å; A159-V167 PolarHBondContact N-O 3.43Å; A159-V167 PolarHBondContact O-N 3.31Å; A159-V167 VanDerWaalsContact O-O 3.14Å
160	V	87.2	Confident	88.8	Confident	103 Å²	103	83.2 Å²	83.2	62%	0.624	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	116.5	167.4	-176.3	0	0	0	0	107.1	E166	V160-E166 HydrophobicContact CG2-CG 4.41Å
161	N	82.9	Confident	88.8	Confident	78 Å²	78	83.5 Å²	83.5	42%	0.417	45%	0.448	S	S	.	.			trans	-69.5	159.7	177.4	-162.9	-31	0	0	0	110	Q163 G164 K165 V167	N161-Q163 PolarHBondContact O-N 2.87Å; N161-G164 PolarHBondContact O-N 2.91Å; N161-K165 PolarHBondContact N-O 2.91Å; N161-V167 HydrophobicContact CB-CG2 4.03Å
162	E	80.6	Confident	88.8	Confident	195 Å²	195	85.8 Å²	85.8	91%	0.911	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-23.9	180	-58.6	-179.9	158.1	0	0	113.8	G164	E162-G164 VanDerWaalsContact C-N 3.29Å; E162-G164 PolarHBondContact O-N 3.39Å
163	Q	78	Confident	88.7	Confident	149 Å²	149	83.4 Å²	83.4	70%	0.696	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	12.3	177.6	-55.3	-172.2	-14.9	0	0	113.9	N161 K165	N161-Q163 PolarHBondContact O-N 2.87Å; Q163-K165 VanDerWaalsContact C-N 3.26Å; Q163-K165 PolarHBondContact O-N 2.8Å
164	G	82.1	Confident	88.5	Confident	63 Å²	63	80.2 Å²	80.2	65%	0.649	43%	0.429	S	S	*	.	S	Bend	trans	70.4	16.6	-178.1	0	0	0	0	0	114.6	N161 E162	N161-G164 PolarHBondContact O-N 2.91Å; E162-G164 VanDerWaalsContact C-N 3.29Å; E162-G164 PolarHBondContact O-N 3.39Å
165	K	86.4	Confident	88.5	Confident	143 Å²	143	84 Å²	84	62%	0.622	44%	0.444	S	S	*	.			trans	-102.6	127.7	-175.6	-178.6	-179.6	176.9	-178.3	0	111	N161 Q163 V167	N161-K165 PolarHBondContact N-O 2.91Å; Q163-K165 VanDerWaalsContact C-N 3.26Å; Q163-K165 PolarHBondContact O-N 2.8Å; K165-V167 PolarHBondContact O-N 3.07Å
166	E	85.9	Confident	88.4	Confident	135 Å²	135	81.3 Å²	81.3	63%	0.631	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.8	127.2	167.7	-72.3	-174.1	-150.8	0	0	111.4	A159 V160	A159-E166 WeakPolarHBondContact O-CA 3.44Å; V160-E166 HydrophobicContact CG2-CG 4.41Å
167	V	86.3	Confident	88.4	Confident	34 Å²	34	80 Å²	80	21%	0.206	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	125.4	174.7	-178.8	0	0	0	0	107.7	A159 N161 K165 E169	A159-V167 PolarHBondContact N-O 3.43Å; A159-V167 PolarHBondContact O-N 3.31Å; A159-V167 VanDerWaalsContact O-O 3.14Å; N161-V167 HydrophobicContact CB-CG2 4.03Å; K165-V167 PolarHBondContact O-N 3.07Å; V167-E169 HydrophobicContact CG1-CG 4.07Å
168	T	88.2	Confident	88.5	Confident	55 Å²	55	76 Å²	76	34%	0.337	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	121.7	168.1	-45.7	0	0	0	0	109.5	A156 M157 F170	A156-T168 HydrophobicContact CB-CG2 3.92Å; M157-T168 WeakPolarHBondContact O-CA 3.42Å; T168-F170 HydrophobicContact CG2-CE2 4.4Å
169	E	89.1	Confident	88.7	Confident	104 Å²	104	72.2 Å²	72.2	49%	0.486	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	154.9	171	-61	-167.7	169.1	0	0	109.2	M157 V167	M157-E169 PolarHBondContact N-O 2.82Å; M157-E169 PolarHBondContact O-N 3.48Å; M157-E169 VanDerWaalsContact O-O 3.09Å; V167-E169 HydrophobicContact CG1-CG 4.07Å
170	F	92.4	Very high	89.1	Confident	22 Å²	22	77.4 Å²	77.4	10%	0.096	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	126.6	-177.7	-70.9	-96.3	0	0	0	110.5	Y110 N128 D129 V132 P155 A156 T168 K173	Y110-F170 HydrophobicContact CD2-CZ 4.46Å; Y110-F170 AromaticContact CE2-CE2 3.81Å; Y110-F170 HydrophobicContact CE2-CE2 3.81Å; Y110-F170 AromaticContact CE2-CZ 3.97Å; Y110-F170 HydrophobicContact CE2-CZ 3.97Å; N128-F170 HydrophobicContact CB-CE1 4.43Å; N128-F170 HydrophobicContact CB-CZ 3.87Å; D129-F170 HydrophobicContact CB-CD2 3.61Å; D129-F170 HydrophobicContact CB-CE2 3.71Å; D129-F170 HydrophobicContact CB-CG 4.31Å; D129-F170 HydrophobicContact CB-CZ 4.46Å; V132-F170 HydrophobicContact CG2-CB 3.38Å; V132-F170 HydrophobicContact CG2-CD1 4.04Å; V132-F170 HydrophobicContact CG2-CD2 4.37Å; V132-F170 HydrophobicContact CG2-CG 3.69Å; P155-F170 WeakPolarHBondContact O-CA 3.34Å; A156-F170 HydrophobicContact CB-CD1 4.12Å; A156-F170 HydrophobicContact CB-CE1 3.72Å; A156-F170 HydrophobicContact CB-CZ 4.21Å; T168-F170 HydrophobicContact CG2-CE2 4.4Å; F170-K173 HydrophobicContact CB-CB 4.25Å
171	G	93.1	Very high	89.3	Confident	6 Å²	6	81.3 Å²	81.3	6%	0.062	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	144.4	174	0	0	0	0	0	110.6	Y154 P155 K173	Y154-G171 WeakPolarHBondContact CA-O 3.49Å; P155-G171 PolarHBondContact O-N 3.25Å; G171-K173 PolarHBondContact O-N 2.96Å
172	N	94.9	Very high	89.7	Confident	91 Å²	91	79 Å²	79	49%	0.487	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	12.5	174.4	-50.6	-42.2	0	0	0	116.6	Y153 Y154 Y174 W175 M177	Y153-N172 PolarHBondContact O-ND2 3.08Å; Y154-N172 HydrophobicContact CD1-CB 4.13Å; Y154-N172 HydrophobicContact CE1-CB 4.24Å; Y154-N172 WeakPolarHBondContact CE1-O 3.16Å; N172-Y174 PolarHBondContact O-N 2.86Å; N172-W175 HydrophobicContact CB-CB 4.45Å; N172-W175 WeakPolarHBondContact O-CB 3.48Å; N172-W175 PolarHBondContact O-N 3.35Å; N172-M177 HydrophobicContact CB-CE 3.32Å; N172-M177 WeakPolarHBondContact ND2-CE 3.47Å
173	K	92.8	Very high	90.2	Very high	48 Å²	48	70.2 Å²	70.2	21%	0.209	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-25.3	-168.2	59.9	167.8	172.3	158.3	0	116.9	S131 V132 S135 F170 G171	S131-K173 CarbonylContact C-O 3.6Å; S131-K173 VanDerWaalsContact O-O 3.09Å; V132-K173 HydrophobicContact CG2-CB 3.6Å; S135-K173 PolarHBondContact OG-O 2.81Å; F170-K173 HydrophobicContact CB-CB 4.25Å; G171-K173 PolarHBondContact O-N 2.96Å
174	Y	91.9	Very high	90.7	Very high	23 Å²	23	68.8 Å²	68.8	9%	0.09	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-1	178.5	-53.9	-50.5	0	0	0	114.6	S131 N172 R200 Q201 D204	S131-Y174 WeakPolarHBondContact OG-CE1 3.31Å; N172-Y174 PolarHBondContact O-N 2.86Å; Y174-R200 HydrophobicContact CD1-CB 3.92Å; Y174-R200 HydrophobicContact CE1-CB 4.46Å; Y174-R200 HydrophobicContact CG-CB 4.42Å; Y174-Q201 HydrophobicContact CD2-CB 3.81Å; Y174-Q201 HydrophobicContact CD2-CG 4.36Å; Y174-Q201 HydrophobicContact CE2-CB 3.48Å; Y174-Q201 VanDerWaalsContact CE2-CB 3.48Å; Y174-Q201 HydrophobicContact CE2-CG 3.67Å; Y174-D204 HydrophobicContact CE1-CB 4.47Å; Y174-D204 WeakPolarHBondContact CE1-OD2 3.5Å; Y174-D204 VanDerWaalsContact OH-CB 3.32Å; Y174-D204 WeakPolarHBondContact OH-CB 3.12Å; Y174-D204 PolarHBondContact OH-OD2 3.08Å
175	W	94.4	Very high	91	Very high	87 Å²	87	73.5 Å²	73.5	33%	0.33	35%	0.349	S	S	.	.			trans	-104.9	130	-176.1	-172.1	-99.8	0	0	0	110.8	Y154 N172 R193 M197	Y154-W175 VanDerWaalsContact CE1-O 3.27Å; Y154-W175 WeakPolarHBondContact CE1-O 3.42Å; Y154-W175 PolarHBondContact OH-O 2.69Å; N172-W175 HydrophobicContact CB-CB 4.45Å; N172-W175 WeakPolarHBondContact O-CB 3.48Å; N172-W175 PolarHBondContact O-N 3.35Å; W175-R193 HydrophobicContact CH2-CG 4.26Å; W175-R193 VanDerWaalsContact CZ2-NE 3.34Å; W175-R193 HydrophobicContact CZ3-CG 4.05Å; W175-M197 HydrophobicContact CE3-SD 3.79Å; W175-M197 HydrophobicContact CZ3-SD 4.31Å
176	L	93.5	Very high	91	Very high	2 Å²	2	69 Å²	69	1%	0.01	33%	0.333	C	S	.	.			trans	-81.3	135.4	171.5	-54.9	-172	0	0	0	110.3	K138 L178 Y187 R193	K138-L176 HydrophobicContact CB-CD1 4.42Å; K138-L176 HydrophobicContact CB-CD2 3.94Å; K138-L176 HydrophobicContact CG-CD1 3.59Å; K138-L176 HydrophobicContact CG-CD2 4Å; K138-L176 HydrophobicContact CG-CG 4.47Å; L176-L178 HydrophobicContact CB-CD1 4.01Å; L176-L178 HydrophobicContact CB-CG 3.89Å; L176-L178 HydrophobicContact CD1-CD1 3.91Å; L176-L178 PolarHBondContact O-N 2.79Å; L176-Y187 HydrophobicContact CD1-CE2 4.18Å; L176-Y187 WeakPolarHBondContact CD1-OH 3.47Å; L176-R193 PolarHBondContact O-NH2 3.04Å
177	M	94.3	Very high	91.2	Very high	37 Å²	37	63.4 Å²	63.4	18%	0.182	31%	0.307	C	S	.	.			trans	-87.9	64.2	-179.5	-63.9	-64.5	170.4	0	0	110.8	T139 Y153 Y154 N172	T139-M177 HydrophobicContact CG2-CB 4.04Å; T139-M177 VanDerWaalsContact CG2-O 3.31Å; T139-M177 WeakPolarHBondContact CG2-O 3.46Å; T139-M177 PolarHBondContact OG1-N 2.92Å; T139-M177 VanDerWaalsContact OG1-N 3.1Å; Y153-M177 HydrophobicContact CD2-CB 3.71Å; Y153-M177 HydrophobicContact CD2-CG 3.7Å; Y153-M177 HydrophobicContact CE2-CB 4.26Å; Y153-M177 HydrophobicContact CG-CB 4.39Å; Y153-M177 HydrophobicContact CG-CG 3.92Å; Y153-M177 HydrophobicContact CG-SD 4.38Å; Y154-M177 HydrophobicContact CE1-CE 4.32Å; Y154-M177 HydrophobicContact CE2-CG 4.21Å; N172-M177 HydrophobicContact CB-CE 3.32Å; N172-M177 WeakPolarHBondContact ND2-CE 3.47Å
178	L	93.4	Very high	91.1	Very high	14 Å²	14	65.8 Å²	65.8	7%	0.073	34%	0.338	C	S	.	.			trans	-105.4	141.7	-178.8	-60	178.7	0	0	0	111.5	T139 V142 L176 E182 A183 V186 R193	T139-L178 HydrophobicContact CG2-CD2 4.19Å; V142-L178 HydrophobicContact CB-CD2 3.85Å; V142-L178 HydrophobicContact CG1-CD1 4.15Å; V142-L178 HydrophobicContact CG1-CD2 3.75Å; L176-L178 HydrophobicContact CB-CD1 4.01Å; L176-L178 HydrophobicContact CB-CG 3.89Å; L176-L178 HydrophobicContact CD1-CD1 3.91Å; L176-L178 PolarHBondContact O-N 2.79Å; L178-E182 WeakPolarHBondContact CA-OE2 3.46Å; L178-E182 HydrophobicContact CB-CB 3.92Å; L178-E182 HydrophobicContact CD1-CB 4.47Å; L178-E182 HydrophobicContact CD2-CB 4.12Å; L178-E182 HydrophobicContact CG-CB 4.38Å; L178-A183 HydrophobicContact CB-CB 4.34Å; L178-V186 HydrophobicContact CD1-CB 4.34Å; L178-V186 HydrophobicContact CD1-CG2 4Å; L178-R193 PolarHBondContact O-NH2 2.86Å
179	N	92.9	Very high	91	Very high	87 Å²	87	64.1 Å²	64.1	47%	0.465	33%	0.332	S	S	.	.			trans	-71.9	172.5	169.2	64.9	47.9	0	0	0	111.4	K181 E182 A183	N179-K181 VanDerWaalsContact C-N 3.32Å; N179-K181 PolarHBondContact O-N 3.3Å; N179-K181 PolarHBondContact OD1-N 3.19Å; N179-E182 VanDerWaalsContact CG-OE2 3.27Å; N179-E182 PolarHBondContact N-OE2 2.85Å; N179-E182 PolarHBondContact ND2-OE1 3.48Å; N179-E182 PolarHBondContact ND2-OE2 2.73Å; N179-E182 PolarHBondContact O-N 2.91Å; N179-E182 VanDerWaalsContact OD1-CD 3.28Å; N179-E182 WeakPolarHBondContact OD1-CG 3.47Å; N179-E182 PolarHBondContact OD1-N 3.26Å; N179-E182 VanDerWaalsContact OD1-N 3.11Å; N179-E182 PolarHBondContact OD1-OE2 3.41Å; N179-A183 WeakPolarHBondContact O-CB 3.32Å; N179-A183 PolarHBondContact O-N 2.99Å
180	E	90	Very high	90.9	Very high	150 Å²	150	66.9 Å²	66.9	70%	0.701	34%	0.342	S	S	*	.	H	α-helix	trans	-62.9	-35.2	-171.3	-63.5	-161.6	131.2	0	0	113.7	Q184	E180-Q184 WeakPolarHBondContact O-CB 3.35Å; E180-Q184 PolarHBondContact O-N 3.49Å
181	K	91.2	Very high	90.8	Very high	185 Å²	185	73.6 Å²	73.6	80%	0.804	37%	0.374	S	S	*	.	H	α-helix	trans	-70.9	-47.7	-179.7	-66.6	-178.9	-179.9	177.4	0	111.2	N179 A183 Q184 Q185	N179-K181 VanDerWaalsContact C-N 3.32Å; N179-K181 PolarHBondContact O-N 3.3Å; N179-K181 PolarHBondContact OD1-N 3.19Å; K181-A183 VanDerWaalsContact C-N 3.34Å; K181-Q184 PolarHBondContact O-N 3.39Å; K181-Q185 PolarHBondContact O-N 3.25Å
182	E	92.2	Very high	90.6	Very high	29 Å²	29	75 Å²	75	14%	0.136	39%	0.385	C	S	.	.	H	α-helix	trans	-60.8	-43	174.1	-71.9	156.7	-167.2	0	0	111.8	V142 S143 L178 N179 Q184 Q185 V186	V142-E182 HydrophobicContact CG1-CB 3.86Å; V142-E182 HydrophobicContact CG1-CG 4.05Å; S143-E182 WeakPolarHBondContact CA-OE1 3.39Å; S143-E182 WeakPolarHBondContact CB-OE1 3.45Å; S143-E182 WeakPolarHBondContact CB-OE2 3.2Å; L178-E182 WeakPolarHBondContact CA-OE2 3.46Å; L178-E182 HydrophobicContact CB-CB 3.92Å; L178-E182 HydrophobicContact CD1-CB 4.47Å; L178-E182 HydrophobicContact CD2-CB 4.12Å; L178-E182 HydrophobicContact CG-CB 4.38Å; N179-E182 VanDerWaalsContact CG-OE2 3.27Å; N179-E182 PolarHBondContact N-OE2 2.85Å; N179-E182 PolarHBondContact ND2-OE1 3.48Å; N179-E182 PolarHBondContact ND2-OE2 2.73Å; N179-E182 PolarHBondContact O-N 2.91Å; N179-E182 VanDerWaalsContact OD1-CD 3.28Å; N179-E182 WeakPolarHBondContact OD1-CG 3.47Å; N179-E182 PolarHBondContact OD1-N 3.26Å; N179-E182 VanDerWaalsContact OD1-N 3.11Å; N179-E182 PolarHBondContact OD1-OE2 3.41Å; E182-Q184 VanDerWaalsContact C-N 3.33Å; E182-Q184 PolarHBondContact O-N 3.27Å; E182-Q185 WeakPolarHBondContact O-CB 3.4Å; E182-Q185 PolarHBondContact O-N 3.38Å; E182-V186 WeakPolarHBondContact O-CG2 3.15Å; E182-V186 PolarHBondContact O-N 3.02Å
183	A	90.6	Very high	90.3	Very high	11 Å²	11	72.4 Å²	72.4	9%	0.091	37%	0.369	C	S	.	.	H	α-helix	trans	-62	-41.3	177.3	0	0	0	0	0	111.4	L178 N179 K181 Q185 V186 Y187	L178-A183 HydrophobicContact CB-CB 4.34Å; N179-A183 WeakPolarHBondContact O-CB 3.32Å; N179-A183 PolarHBondContact O-N 2.99Å; K181-A183 VanDerWaalsContact C-N 3.34Å; A183-Q185 VanDerWaalsContact C-N 3.31Å; A183-Q185 PolarHBondContact O-N 2.86Å; A183-V186 PolarHBondContact O-N 3.18Å; A183-Y187 WeakPolarHBondContact O-CA 2.99Å; A183-Y187 VanDerWaalsContact O-CB 3.31Å; A183-Y187 WeakPolarHBondContact O-CB 3.28Å; A183-Y187 WeakPolarHBondContact O-CD2 3.42Å; A183-Y187 PolarHBondContact O-N 3.42Å
184	Q	89.6	Confident	90.2	Very high	119 Å²	119	73.6 Å²	73.6	56%	0.556	38%	0.38	S	S	*	.	H	α-helix	trans	-71.8	-23.8	176.7	-162.9	65	35.8	0	0	113.1	E180 K181 E182	E180-Q184 WeakPolarHBondContact O-CB 3.35Å; E180-Q184 PolarHBondContact O-N 3.49Å; K181-Q184 PolarHBondContact O-N 3.39Å; E182-Q184 VanDerWaalsContact C-N 3.33Å; E182-Q184 PolarHBondContact O-N 3.27Å
185	Q	88.3	Confident	90.2	Very high	161 Å²	161	77.6 Å²	77.6	75%	0.752	40%	0.399	S	S	*	.	H	α-helix	trans	-75.5	-37.2	172.2	179.3	-176.9	-32.7	0	0	112.2	K181 E182 A183	K181-Q185 PolarHBondContact O-N 3.25Å; E182-Q185 WeakPolarHBondContact O-CB 3.4Å; E182-Q185 PolarHBondContact O-N 3.38Å; A183-Q185 VanDerWaalsContact C-N 3.31Å; A183-Q185 PolarHBondContact O-N 2.86Å
186	V	86.9	Confident	89.8	Confident	48 Å²	48	76.5 Å²	76.5	29%	0.291	40%	0.398	S	S	.	.	H	α-helix	trans	-84.5	-36.7	-179.5	176.2	0	0	0	0	112.2	V142 L178 E182 A183	V142-V186 HydrophobicContact CB-CG2 4.37Å; V142-V186 HydrophobicContact CG1-CG2 3.66Å; V142-V186 HydrophobicContact CG2-CG2 3.78Å; L178-V186 HydrophobicContact CD1-CB 4.34Å; L178-V186 HydrophobicContact CD1-CG2 4Å; E182-V186 WeakPolarHBondContact O-CG2 3.15Å; E182-V186 PolarHBondContact O-N 3.02Å; A183-V186 PolarHBondContact O-N 3.18Å
187	Y	89.2	Confident	89.7	Confident	19 Å²	19	79.4 Å²	79.4	8%	0.075	41%	0.412	C	S	.	.			trans	-117.8	132.5	-174.5	-59.9	-74.9	0	0	0	111.3	L176 A183 G189 A192 R193 E196	L176-Y187 HydrophobicContact CD1-CE2 4.18Å; L176-Y187 WeakPolarHBondContact CD1-OH 3.47Å; A183-Y187 WeakPolarHBondContact O-CA 2.99Å; A183-Y187 VanDerWaalsContact O-CB 3.31Å; A183-Y187 WeakPolarHBondContact O-CB 3.28Å; A183-Y187 WeakPolarHBondContact O-CD2 3.42Å; A183-Y187 PolarHBondContact O-N 3.42Å; Y187-G189 PolarHBondContact O-N 3.27Å; Y187-A192 HydrophobicContact CD1-CB 4.31Å; Y187-R193 HydrophobicContact CD1-CB 4.08Å; Y187-R193 HydrophobicContact CD2-CB 3.9Å; Y187-R193 HydrophobicContact CD2-CG 4.01Å; Y187-R193 HydrophobicContact CE1-CB 4.23Å; Y187-R193 HydrophobicContact CE1-CG 4.49Å; Y187-R193 HydrophobicContact CE2-CB 4.05Å; Y187-R193 HydrophobicContact CE2-CG 3.73Å; Y187-R193 HydrophobicContact CG-CB 3.91Å; Y187-R193 HydrophobicContact CG-CG 4.5Å; Y187-E196 HydrophobicContact CE1-CB 4.32Å; Y187-E196 WeakPolarHBondContact CE1-OE2 3.48Å; Y187-E196 VanDerWaalsContact CZ-OE2 3.29Å; Y187-E196 PolarHBondContact OH-OE2 3.45Å
188	G	85	Confident	89.6	Confident	83 Å²	83	84.9 Å²	84.9	86%	0.856	44%	0.435	S	S	*	.	S	Bend	trans	-67.3	4.4	174.1	0	0	0	0	0	115.4
189	G	85.8	Confident	89.6	Confident	21 Å²	21	90.8 Å²	90.8	22%	0.216	46%	0.456	C	S	.	.	S	Bend	trans	166.1	166.9	178.8	0	0	0	0	0	112.4	Y187 E191 A192	Y187-G189 PolarHBondContact O-N 3.27Å; G189-E191 PolarHBondContact O-N 3.03Å; G189-A192 PolarHBondContact O-N 2.98Å
190	K	86.1	Confident	89.5	Confident	161 Å²	161	88.1 Å²	88.1	70%	0.7	44%	0.44	S	S	*	.	H	α-helix	trans	-61.6	-32.1	-179.7	-65.6	-172.7	177.5	-172.8	0	112.6	R193 T194	K190-R193 PolarHBondContact O-N 3.45Å; K190-T194 PolarHBondContact O-N 3.33Å
191	E	90.3	Very high	89.4	Confident	163 Å²	163	85.1 Å²	85.1	76%	0.762	43%	0.426	S	S	*	.	H	α-helix	trans	-67	-40.4	177.4	-62.8	-179.2	176	0	0	112.6	G189 R193 T194 E195	G189-E191 PolarHBondContact O-N 3.03Å; E191-R193 PolarHBondContact O-N 2.82Å; E191-T194 PolarHBondContact O-N 3.4Å; E191-T194 PolarHBondContact O-OG1 2.85Å; E191-E195 WeakPolarHBondContact O-CB 3.47Å; E191-E195 PolarHBondContact O-N 2.89Å
192	A	89.3	Confident	89.5	Confident	37 Å²	37	81.4 Å²	81.4	31%	0.306	41%	0.407	S	S	.	.	H	α-helix	trans	-62.5	-32.6	178.5	0	0	0	0	0	112.5	Y187 G189 E196	Y187-A192 HydrophobicContact CD1-CB 4.31Å; G189-A192 PolarHBondContact O-N 2.98Å; A192-E196 PolarHBondContact O-N 3.36Å
193	R	88.2	Confident	89.2	Confident	36 Å²	36	81.3 Å²	81.3	14%	0.136	41%	0.411	C	S	.	.	H	α-helix	trans	-67.9	-42.4	175.4	-173.6	178.4	-175.4	169.6	4.4	112	W175 L176 L178 Y187 K190 E191 M197	W175-R193 HydrophobicContact CH2-CG 4.26Å; W175-R193 VanDerWaalsContact CZ2-NE 3.34Å; W175-R193 HydrophobicContact CZ3-CG 4.05Å; L176-R193 PolarHBondContact O-NH2 3.04Å; L178-R193 PolarHBondContact O-NH2 2.86Å; Y187-R193 HydrophobicContact CD1-CB 4.08Å; Y187-R193 HydrophobicContact CD2-CB 3.9Å; Y187-R193 HydrophobicContact CD2-CG 4.01Å; Y187-R193 HydrophobicContact CE1-CB 4.23Å; Y187-R193 HydrophobicContact CE1-CG 4.49Å; Y187-R193 HydrophobicContact CE2-CB 4.05Å; Y187-R193 HydrophobicContact CE2-CG 3.73Å; Y187-R193 HydrophobicContact CG-CB 3.91Å; Y187-R193 HydrophobicContact CG-CG 4.5Å; K190-R193 PolarHBondContact O-N 3.45Å; E191-R193 PolarHBondContact O-N 2.82Å; R193-M197 PolarHBondContact O-N 3.4Å
194	T	91.8	Very high	89	Confident	72 Å²	72	82.6 Å²	82.6	44%	0.442	42%	0.416	S	S	.	.	H	α-helix	trans	-75	-28.9	177	56.9	0	0	0	0	112	K190 E191 K198	K190-T194 PolarHBondContact O-N 3.33Å; E191-T194 PolarHBondContact O-N 3.4Å; E191-T194 PolarHBondContact O-OG1 2.85Å; T194-K198 WeakPolarHBondContact O-CB 3.3Å; T194-K198 PolarHBondContact O-N 3.44Å
195	E	91.2	Very high	88.8	Confident	107 Å²	107	80.7 Å²	80.7	50%	0.5	41%	0.41	S	S	.	.	H	α-helix	trans	-65.8	-48.4	172.8	-151.6	-156.6	157.2	0	0	111.8	E191 M197 K198 W199	E191-E195 WeakPolarHBondContact O-CB 3.47Å; E191-E195 PolarHBondContact O-N 2.89Å; E195-M197 VanDerWaalsContact C-N 3.31Å; E195-M197 PolarHBondContact O-N 3.49Å; E195-K198 PolarHBondContact O-N 2.75Å; E195-W199 PolarHBondContact O-N 2.96Å; E195-W199 PolarHBondContact OE1-NE1 3Å
196	E	86.9	Confident	88.6	Confident	64 Å²	64	78.1 Å²	78.1	30%	0.299	39%	0.394	S	S	.	.	H	α-helix	trans	-56.9	-46.9	175.1	-168.8	-154.3	130.8	0	0	110.8	Y187 A192 K198 W199 R200	Y187-E196 HydrophobicContact CE1-CB 4.32Å; Y187-E196 WeakPolarHBondContact CE1-OE2 3.48Å; Y187-E196 VanDerWaalsContact CZ-OE2 3.29Å; Y187-E196 PolarHBondContact OH-OE2 3.45Å; A192-E196 PolarHBondContact O-N 3.36Å; E196-K198 VanDerWaalsContact C-N 3.32Å; E196-K198 PolarHBondContact O-N 3.26Å; E196-W199 PolarHBondContact O-N 3.12Å; E196-R200 HydrophobicContact CG-CG 4.3Å; E196-R200 WeakPolarHBondContact O-CB 3.41Å; E196-R200 VanDerWaalsContact O-CG 3.3Å; E196-R200 WeakPolarHBondContact O-CG 3.45Å; E196-R200 PolarHBondContact O-N 3.09Å; E196-R200 WeakPolarHBondContact OE1-CD 3.4Å; E196-R200 IonicContact OE1-CZ 2.68Å; E196-R200 IonicContact OE1-NE 3.61Å; E196-R200 IonicContact OE1-NH1 2.79Å; E196-R200 PolarHBondContact OE1-NH1 3.42Å
197	M	90.9	Very high	88.5	Confident	64 Å²	64	79.5 Å²	79.5	32%	0.315	40%	0.399	S	S	.	.	H	α-helix	trans	-56.4	-46	178.1	-173.3	-173.6	71.6	0	0	111.6	W175 R193 E195 R200 Q201	W175-M197 HydrophobicContact CE3-SD 3.79Å; W175-M197 HydrophobicContact CZ3-SD 4.31Å; R193-M197 PolarHBondContact O-N 3.4Å; E195-M197 VanDerWaalsContact C-N 3.31Å; E195-M197 PolarHBondContact O-N 3.49Å; M197-R200 PolarHBondContact O-N 3.28Å; M197-Q201 WeakPolarHBondContact O-CB 3.42Å; M197-Q201 PolarHBondContact O-N 3.18Å
198	K	92.3	Very high	88.1	Confident	151 Å²	151	80.1 Å²	80.1	66%	0.657	41%	0.405	S	S	*	.	H	α-helix	trans	-64.3	-43.9	177.6	-178.4	-177.2	176	-174.6	0	112.3	T194 E195 E196 Q201 W202	T194-K198 WeakPolarHBondContact O-CB 3.3Å; T194-K198 PolarHBondContact O-N 3.44Å; E195-K198 PolarHBondContact O-N 2.75Å; E196-K198 VanDerWaalsContact C-N 3.32Å; E196-K198 PolarHBondContact O-N 3.26Å; K198-Q201 PolarHBondContact O-N 2.87Å; K198-W202 WeakPolarHBondContact O-CB 3.4Å; K198-W202 PolarHBondContact O-N 3.21Å
199	W	92.9	Very high	88	Confident	138 Å²	138	79.6 Å²	79.6	52%	0.523	38%	0.379	S	S	.	.	H	α-helix	trans	-68.8	-35.7	178.7	-77.7	118.6	0	0	0	112.9	E195 E196 W202 A203	E195-W199 PolarHBondContact O-N 2.96Å; E195-W199 PolarHBondContact OE1-NE1 3Å; E196-W199 PolarHBondContact O-N 3.12Å; W199-W202 HydrophobicContact CE3-CD2 4.17Å; W199-W202 AromaticContact CE3-CE3 3.84Å; W199-W202 HydrophobicContact CE3-CE3 3.84Å; W199-W202 HydrophobicContact CE3-CZ3 4.4Å; W199-W202 HydrophobicContact CZ3-CD2 4.14Å; W199-W202 HydrophobicContact CZ3-CE3 4Å; W199-W202 HydrophobicContact CZ3-CZ3 4.29Å; W199-W202 PolarHBondContact O-N 2.85Å; W199-A203 WeakPolarHBondContact O-CB 3.38Å; W199-A203 PolarHBondContact O-N 2.9Å
200	R	90.1	Very high	87.9	Confident	31 Å²	31	80.7 Å²	80.7	12%	0.117	38%	0.38	C	S	.	.	H	α-helix	trans	-66.4	-43.4	173.7	-73.6	174.6	64.2	-177.4	-3.2	111.5	S131 S135 Y174 E196 M197 A203 D204	S131-R200 PolarHBondContact O-NH2 3.37Å; S131-R200 VanDerWaalsContact O-NH2 3.08Å; S135-R200 PolarHBondContact OG-NH2 3.47Å; Y174-R200 HydrophobicContact CD1-CB 3.92Å; Y174-R200 HydrophobicContact CE1-CB 4.46Å; Y174-R200 HydrophobicContact CG-CB 4.42Å; E196-R200 HydrophobicContact CG-CG 4.3Å; E196-R200 WeakPolarHBondContact O-CB 3.41Å; E196-R200 VanDerWaalsContact O-CG 3.3Å; E196-R200 WeakPolarHBondContact O-CG 3.45Å; E196-R200 PolarHBondContact O-N 3.09Å; E196-R200 WeakPolarHBondContact OE1-CD 3.4Å; E196-R200 IonicContact OE1-CZ 2.68Å; E196-R200 IonicContact OE1-NE 3.61Å; E196-R200 IonicContact OE1-NH1 2.79Å; E196-R200 PolarHBondContact OE1-NH1 3.42Å; M197-R200 PolarHBondContact O-N 3.28Å; R200-A203 PolarHBondContact O-N 3.22Å; R200-D204 PolarHBondContact O-N 3.45Å
201	Q	89.8	Confident	87.9	Confident	88 Å²	88	74.6 Å²	74.6	41%	0.411	36%	0.355	S	S	.	.	H	α-helix	trans	-59.3	-48.6	171.4	-177.7	169	7.9	0	0	111.8	Y174 M197 K198 A203 D204 D205	Y174-Q201 HydrophobicContact CD2-CB 3.81Å; Y174-Q201 HydrophobicContact CD2-CG 4.36Å; Y174-Q201 HydrophobicContact CE2-CB 3.48Å; Y174-Q201 VanDerWaalsContact CE2-CB 3.48Å; Y174-Q201 HydrophobicContact CE2-CG 3.67Å; M197-Q201 WeakPolarHBondContact O-CB 3.42Å; M197-Q201 PolarHBondContact O-N 3.18Å; K198-Q201 PolarHBondContact O-N 2.87Å; Q201-A203 VanDerWaalsContact C-N 3.26Å; Q201-A203 PolarHBondContact O-N 2.8Å; Q201-D204 PolarHBondContact O-N 3.24Å; Q201-D205 WeakPolarHBondContact CG-OD2 3.32Å; Q201-D205 PolarHBondContact NE2-OD2 3.29Å; Q201-D205 VanDerWaalsContact O-CB 3.27Å; Q201-D205 WeakPolarHBondContact O-CB 3.11Å; Q201-D205 VanDerWaalsContact O-CG 3.31Å; Q201-D205 PolarHBondContact O-N 3.36Å
202	W	91.6	Very high	87.6	Confident	106 Å²	106	67.4 Å²	67.4	40%	0.402	32%	0.323	S	S	.	.	H	α-helix	trans	-60.8	-33.1	178.3	177.2	86.5	0	0	0	113.2	K198 W199 W206 L207	K198-W202 WeakPolarHBondContact O-CB 3.4Å; K198-W202 PolarHBondContact O-N 3.21Å; W199-W202 HydrophobicContact CE3-CD2 4.17Å; W199-W202 AromaticContact CE3-CE3 3.84Å; W199-W202 HydrophobicContact CE3-CE3 3.84Å; W199-W202 HydrophobicContact CE3-CZ3 4.4Å; W199-W202 HydrophobicContact CZ3-CD2 4.14Å; W199-W202 HydrophobicContact CZ3-CE3 4Å; W199-W202 HydrophobicContact CZ3-CZ3 4.29Å; W199-W202 PolarHBondContact O-N 2.85Å; W202-W206 AromaticContact CE2-CD1 3.7Å; W202-W206 HydrophobicContact CG-CB 4.44Å; W202-W206 AromaticContact CZ2-CD1 3.72Å; W202-W206 AromaticContact NE1-CD1 3.47Å; W202-W206 AromaticContact NE1-CG 3.8Å; W202-W206 WeakPolarHBondContact O-CA 3.38Å; W202-W206 WeakPolarHBondContact O-CB 3.37Å; W202-W206 PolarHBondContact O-N 2.92Å; W202-L207 HydrophobicContact CE3-CB 4.27Å; W202-L207 HydrophobicContact CH2-CB 4.13Å; W202-L207 HydrophobicContact CH2-CD1 4.02Å; W202-L207 HydrophobicContact CH2-CG 4.47Å; W202-L207 HydrophobicContact CZ3-CB 3.88Å; W202-L207 HydrophobicContact CZ3-CD1 4.28Å; W202-L207 HydrophobicContact CZ3-CD2 4.04Å; W202-L207 HydrophobicContact CZ3-CG 4.29Å; W202-L207 PolarHBondContact O-N 2.92Å; W202-L207 VanDerWaalsContact O-N 3.09Å
203	A	87.6	Confident	87.5	Confident	27 Å²	27	66.1 Å²	66.1	22%	0.223	31%	0.311	C	S	.	.	I	π-helix	trans	-65	-45.7	176.4	0	0	0	0	0	112.2	W199 R200 Q201 L207 V208	W199-A203 WeakPolarHBondContact O-CB 3.38Å; W199-A203 PolarHBondContact O-N 2.9Å; R200-A203 PolarHBondContact O-N 3.22Å; Q201-A203 VanDerWaalsContact C-N 3.26Å; Q201-A203 PolarHBondContact O-N 2.8Å; A203-L207 HydrophobicContact CB-CD2 4.49Å; A203-L207 WeakPolarHBondContact O-CB 3.36Å; A203-L207 PolarHBondContact O-N 3.05Å; A203-V208 PolarHBondContact O-N 3.26Å; A203-V208 VanDerWaalsContact O-N 3.08Å
204	D	85.6	Confident	87.5	Confident	39 Å²	39	69.2 Å²	69.2	21%	0.209	33%	0.331	C	S	.	.	I	π-helix	trans	-76.9	-35.3	-179.5	-75.2	1.5	0	0	0	112.4	S131 Y174 R200 Q201 V208	S131-D204 PolarHBondContact OG-OD2 3.25Å; Y174-D204 HydrophobicContact CE1-CB 4.47Å; Y174-D204 WeakPolarHBondContact CE1-OD2 3.5Å; Y174-D204 VanDerWaalsContact OH-CB 3.32Å; Y174-D204 WeakPolarHBondContact OH-CB 3.12Å; Y174-D204 PolarHBondContact OH-OD2 3.08Å; R200-D204 PolarHBondContact O-N 3.45Å; Q201-D204 PolarHBondContact O-N 3.24Å; D204-V208 WeakPolarHBondContact O-CG1 3.46Å
205	D	86.2	Confident	87.4	Confident	78 Å²	78	67.8 Å²	67.8	42%	0.417	32%	0.321	S	S	.	.	I	π-helix	trans	-89.7	-23.2	-174.8	-65.2	-0.5	0	0	0	113.2	Q201 H209	Q201-D205 WeakPolarHBondContact CG-OD2 3.32Å; Q201-D205 PolarHBondContact NE2-OD2 3.29Å; Q201-D205 VanDerWaalsContact O-CB 3.27Å; Q201-D205 WeakPolarHBondContact O-CB 3.11Å; Q201-D205 VanDerWaalsContact O-CG 3.31Å; Q201-D205 PolarHBondContact O-N 3.36Å; D205-H209 PolarHBondContact O-CD2 2.87Å; D205-H209 VanDerWaalsContact O-CD2 3.27Å
206	W	83.9	Confident	87.3	Confident	108 Å²	108	62.9 Å²	62.9	41%	0.409	30%	0.298	S	S	.	.	I	π-helix	trans	-129.1	-57	-176.3	-172.1	-101	0	0	0	113.9	W202 V208 H209 L210 L264	W202-W206 AromaticContact CE2-CD1 3.7Å; W202-W206 HydrophobicContact CG-CB 4.44Å; W202-W206 AromaticContact CZ2-CD1 3.72Å; W202-W206 AromaticContact NE1-CD1 3.47Å; W202-W206 AromaticContact NE1-CG 3.8Å; W202-W206 WeakPolarHBondContact O-CA 3.38Å; W202-W206 WeakPolarHBondContact O-CB 3.37Å; W202-W206 PolarHBondContact O-N 2.92Å; W206-V208 VanDerWaalsContact C-N 3.34Å; W206-V208 PolarHBondContact O-N 3.45Å; W206-H209 WeakPolarHBondContact O-CB 3.27Å; W206-H209 PolarHBondContact O-N 3.2Å; W206-L210 HydrophobicContact CZ2-CD2 4.42Å; W206-L264 HydrophobicContact CH2-CD2 3.74Å; W206-L264 HydrophobicContact CZ2-CD2 3.69Å
207	L	83.7	Confident	87.5	Confident	76 Å²	76	66 Å²	66	40%	0.398	31%	0.308	S	S	.	.	I	π-helix	trans	-58.5	-43.9	-171.4	-179.3	63.4	0	0	0	112.4	W202 A203 H209 L210	W202-L207 HydrophobicContact CE3-CB 4.27Å; W202-L207 HydrophobicContact CH2-CB 4.13Å; W202-L207 HydrophobicContact CH2-CD1 4.02Å; W202-L207 HydrophobicContact CH2-CG 4.47Å; W202-L207 HydrophobicContact CZ3-CB 3.88Å; W202-L207 HydrophobicContact CZ3-CD1 4.28Å; W202-L207 HydrophobicContact CZ3-CD2 4.04Å; W202-L207 HydrophobicContact CZ3-CG 4.29Å; W202-L207 PolarHBondContact O-N 2.92Å; W202-L207 VanDerWaalsContact O-N 3.09Å; A203-L207 HydrophobicContact CB-CD2 4.49Å; A203-L207 WeakPolarHBondContact O-CB 3.36Å; A203-L207 PolarHBondContact O-N 3.05Å; L207-H209 PolarHBondContact O-N 2.84Å; L207-L210 HydrophobicContact CD1-CD1 4.35Å; L207-L210 WeakPolarHBondContact O-CB 3.43Å; L207-L210 PolarHBondContact O-N 3.29Å
208	V	82.1	Confident	87.6	Confident	33 Å²	33	65 Å²	65	20%	0.2	31%	0.305	C	S	.	.	H	α-helix	trans	-61.3	-28.8	179.2	75	0	0	0	0	112.7	A69 A203 D204 W206 L210 I211	A69-V208 HydrophobicContact CB-CG2 4.03Å; A203-V208 PolarHBondContact O-N 3.26Å; A203-V208 VanDerWaalsContact O-N 3.08Å; D204-V208 WeakPolarHBondContact O-CG1 3.46Å; W206-V208 VanDerWaalsContact C-N 3.34Å; W206-V208 PolarHBondContact O-N 3.45Å; V208-L210 VanDerWaalsContact C-N 3.28Å; V208-L210 PolarHBondContact O-N 3.4Å; V208-I211 HydrophobicContact CG2-CD1 4.37Å; V208-I211 PolarHBondContact O-N 2.92Å
209	H	82.6	Confident	87.7	Confident	71 Å²	71	61.3 Å²	61.3	33%	0.329	30%	0.296	S	S	.	.	H	α-helix	trans	-75.4	-15.8	177.4	-65.5	-27.9	0	0	0	113.2	D205 W206 L207 P213 H262	D205-H209 PolarHBondContact O-CD2 2.87Å; D205-H209 VanDerWaalsContact O-CD2 3.27Å; W206-H209 WeakPolarHBondContact O-CB 3.27Å; W206-H209 PolarHBondContact O-N 3.2Å; L207-H209 PolarHBondContact O-N 2.84Å; H209-P213 WeakPolarHBondContact O-CD 3.47Å; H209-P213 VanDerWaalsContact O-CG 3.29Å; H209-P213 WeakPolarHBondContact O-CG 3.04Å; H209-H262 AromaticContact CD2-CE1 3.38Å; H209-H262 PolarHBondContact CD2-CE1 2.9Å; H209-H262 AromaticContact CD2-ND1 3.62Å; H209-H262 AromaticContact CG-CE1 3.61Å; H209-H262 AromaticContact CG-ND1 3.89Å; H209-H262 AromaticContact ND1-CE1 4Å; H209-H262 AromaticContact NE2-CE1 3.62Å
210	L	83.9	Confident	87.8	Confident	44 Å²	44	59.9 Å²	59.9	23%	0.23	30%	0.303	C	S	.	.	H	α-helix	trans	-80.5	-26.4	172.7	-50.8	-175.9	0	0	0	112.6	W206 L207 V208 N214 L264	W206-L210 HydrophobicContact CZ2-CD2 4.42Å; L207-L210 HydrophobicContact CD1-CD1 4.35Å; L207-L210 WeakPolarHBondContact O-CB 3.43Å; L207-L210 PolarHBondContact O-N 3.29Å; V208-L210 VanDerWaalsContact C-N 3.28Å; V208-L210 PolarHBondContact O-N 3.4Å; L210-N214 WeakPolarHBondContact O-CB 3.17Å; L210-N214 VanDerWaalsContact O-CG 3.3Å; L210-N214 PolarHBondContact O-N 3.02Å; L210-N214 PolarHBondContact O-ND2 3.16Å; L210-L264 HydrophobicContact CD2-CD1 3.66Å; L210-L264 HydrophobicContact CD2-CD2 3.39Å; L210-L264 HydrophobicContact CD2-CG 4.14Å
211	I	84.3	Confident	87.9	Confident	33 Å²	33	61.3 Å²	61.3	17%	0.169	31%	0.311	C	S	.	.	H	α-helix	trans	-60.3	-62	-173.8	-68	175.7	0	0	0	111.4	L72 V208 N214 V215	L72-I211 HydrophobicContact CB-CD1 4.15Å; L72-I211 HydrophobicContact CD1-CB 4.28Å; L72-I211 HydrophobicContact CD1-CD1 4.1Å; L72-I211 HydrophobicContact CD1-CG1 4.07Å; L72-I211 HydrophobicContact CD1-CG2 3.34Å; V208-I211 HydrophobicContact CG2-CD1 4.37Å; V208-I211 PolarHBondContact O-N 2.92Å; I211-N214 PolarHBondContact O-N 3.15Å; I211-V215 HydrophobicContact CG2-CG1 4.46Å; I211-V215 HydrophobicContact CG2-CG2 4.31Å; I211-V215 WeakPolarHBondContact O-CG2 3.19Å; I211-V215 PolarHBondContact O-N 3.43Å
212	S	84.8	Confident	87.9	Confident	13 Å²	13	57.2 Å²	57.2	9%	0.091	29%	0.292	C	S	.	.	H	α-helix	trans	-61.2	-43	-173.9	-63.7	0	0	0	0	113.5	N214 Y216	S212-N214 PolarHBondContact O-N 3.27Å; S212-Y216 WeakPolarHBondContact O-CB 3.36Å; S212-Y216 VanDerWaalsContact O-CD2 3.24Å; S212-Y216 WeakPolarHBondContact O-CD2 3.26Å; S212-Y216 PolarHBondContact O-N 3.34Å; S212-Y216 VanDerWaalsContact O-N 3.16Å
213	P	87.8	Confident	88	Confident	9 Å²	9	55.2 Å²	55.2	6%	0.058	29%	0.289	C	S	.	.	H	α-helix	trans	-55.4	-34.3	171.1	-30.7	39.7	0	0	0	115	H209 R217 L258 K259 L264	H209-P213 WeakPolarHBondContact O-CD 3.47Å; H209-P213 VanDerWaalsContact O-CG 3.29Å; H209-P213 WeakPolarHBondContact O-CG 3.04Å; P213-R217 WeakPolarHBondContact O-CA 3.31Å; P213-R217 WeakPolarHBondContact O-CB 3.38Å; P213-L258 HydrophobicContact CG-CB 4.2Å; P213-K259 HydrophobicContact CB-CB 4.36Å; P213-L264 HydrophobicContact CB-CD1 4.32Å; P213-L264 HydrophobicContact CG-CD1 3.9Å
214	N	88.4	Confident	88.2	Confident	102 Å²	102	56.8 Å²	56.8	55%	0.545	30%	0.302	S	S	.	.	H	α-helix	trans	-85.2	-46.9	-176.9	-72.8	-19.8	0	0	0	112.8	L210 I211 S212 Y216 R217	L210-N214 WeakPolarHBondContact O-CB 3.17Å; L210-N214 VanDerWaalsContact O-CG 3.3Å; L210-N214 PolarHBondContact O-N 3.02Å; L210-N214 PolarHBondContact O-ND2 3.16Å; I211-N214 PolarHBondContact O-N 3.15Å; S212-N214 PolarHBondContact O-N 3.27Å; N214-Y216 VanDerWaalsContact C-N 3.32Å; N214-Y216 PolarHBondContact O-N 3.21Å; N214-R217 VanDerWaalsContact O-CB 3.22Å; N214-R217 WeakPolarHBondContact O-CB 3.3Å; N214-R217 PolarHBondContact O-N 3.46Å
215	V	88.8	Confident	88.4	Confident	41 Å²	41	56.2 Å²	56.2	25%	0.248	30%	0.301	C	S	.	.	H	α-helix	trans	-73.7	-23.5	-178.3	-59.6	0	0	0	0	113.2	L72 I211 E221 S225	L72-V215 HydrophobicContact CD1-CG1 4.19Å; I211-V215 HydrophobicContact CG2-CG1 4.46Å; I211-V215 HydrophobicContact CG2-CG2 4.31Å; I211-V215 WeakPolarHBondContact O-CG2 3.19Å; I211-V215 PolarHBondContact O-N 3.43Å; V215-E221 CarbonylContact O-C 3.44Å; V215-E221 WeakPolarHBondContact O-CB 3.42Å; V215-S225 PolarHBondContact O-OG 3.45Å; V215-S225 VanDerWaalsContact O-OG 3.07Å
216	Y	89	Confident	88.4	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.016	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	30.8	175.8	-54	-67.2	0	0	0	111.9	S212 N214 A222 F226 I229 M251 S255	S212-Y216 WeakPolarHBondContact O-CB 3.36Å; S212-Y216 VanDerWaalsContact O-CD2 3.24Å; S212-Y216 WeakPolarHBondContact O-CD2 3.26Å; S212-Y216 PolarHBondContact O-N 3.34Å; S212-Y216 VanDerWaalsContact O-N 3.16Å; N214-Y216 VanDerWaalsContact C-N 3.32Å; N214-Y216 PolarHBondContact O-N 3.21Å; Y216-A222 HydrophobicContact CD1-CB 3.82Å; Y216-F226 HydrophobicContact CD1-CD2 4.34Å; Y216-F226 HydrophobicContact CD1-CE2 4.33Å; Y216-F226 AromaticContact CE1-CD2 3.51Å; Y216-F226 HydrophobicContact CE1-CD2 3.51Å; Y216-F226 AromaticContact CE1-CE2 3.46Å; Y216-F226 HydrophobicContact CE1-CE2 3.46Å; Y216-F226 VanDerWaalsContact CE1-CE2 3.46Å; Y216-F226 AromaticContact CZ-CE2 3.75Å; Y216-I229 WeakPolarHBondContact OH-CD1 3.49Å; Y216-M251 HydrophobicContact CD1-CB 3.79Å; Y216-M251 HydrophobicContact CD2-CB 4.01Å; Y216-M251 HydrophobicContact CD2-CE 3.61Å; Y216-M251 HydrophobicContact CE1-CB 3.96Å; Y216-M251 HydrophobicContact CE2-CB 4.16Å; Y216-M251 HydrophobicContact CE2-CE 3.4Å; Y216-M251 VanDerWaalsContact CE2-CE 3.4Å; Y216-M251 HydrophobicContact CE2-CG 4.44Å; Y216-M251 HydrophobicContact CG-CB 3.87Å; Y216-S255 PolarHBondContact O-OG 3.35Å
217	R	90.6	Very high	88.6	Confident	130 Å²	130	49.8 Å²	49.8	49%	0.491	27%	0.274	S	S	.	.	S	Bend	trans	-72.2	-40.6	-174	178.1	-169.7	69.9	110.3	-1.9	112.9	P213 N214 E221 Y252 K256	P213-R217 WeakPolarHBondContact O-CA 3.31Å; P213-R217 WeakPolarHBondContact O-CB 3.38Å; N214-R217 VanDerWaalsContact O-CB 3.22Å; N214-R217 WeakPolarHBondContact O-CB 3.3Å; N214-R217 PolarHBondContact O-N 3.46Å; R217-E221 WeakPolarHBondContact CB-OE2 3.15Å; R217-E221 IonicContact CZ-OE1 3.42Å; R217-E221 IonicContact CZ-OE2 3.73Å; R217-E221 IonicContact NE-OE1 3.29Å; R217-E221 PolarHBondContact NE-OE1 2.99Å; R217-E221 IonicContact NE-OE2 3.24Å; R217-E221 PolarHBondContact NE-OE2 2.84Å; R217-E221 IonicContact NH2-OE1 2.69Å; R217-E221 PolarHBondContact NH2-OE1 2.88Å; R217-E221 IonicContact NH2-OE2 3.53Å; R217-Y252 WeakPolarHBondContact O-CE2 3.44Å; R217-K256 PolarHBondContact O-NZ 2.62Å
218	T	93.9	Very high	88.8	Confident	42 Å²	42	50.3 Å²	50.3	26%	0.258	27%	0.271	S	S	.	.	S	Bend	trans	-118.4	160	173.8	64.8	0	0	0	0	110.7	T220 E221 A222	T218-T220 VanDerWaalsContact C-N 3.27Å; T218-T220 PolarHBondContact O-N 3.32Å; T218-E221 VanDerWaalsContact CB-OE2 3.26Å; T218-E221 WeakPolarHBondContact CB-OE2 3.16Å; T218-E221 VanDerWaalsContact CG2-OE2 3.26Å; T218-E221 WeakPolarHBondContact CG2-OE2 3.31Å; T218-E221 PolarHBondContact N-OE2 3.46Å; T218-E221 PolarHBondContact O-N 3.33Å; T218-E221 WeakPolarHBondContact OG1-CB 3.43Å; T218-E221 WeakPolarHBondContact OG1-CG 3.38Å; T218-E221 PolarHBondContact OG1-N 3.04Å; T218-E221 PolarHBondContact OG1-OE2 3.36Å; T218-A222 WeakPolarHBondContact O-CB 3.27Å; T218-A222 PolarHBondContact O-N 2.95Å
219	P	93.9	Very high	88.9	Confident	74 Å²	74	50.6 Å²	50.6	48%	0.481	27%	0.271	S	S	.	.	H	α-helix	trans	-60.6	-34.7	176.9	23.2	-34.6	0	0	0	113.1	A222 L223	P219-A222 PolarHBondContact O-N 2.84Å; P219-L223 WeakPolarHBondContact O-CG 3.36Å; P219-L223 PolarHBondContact O-N 3.39Å
220	T	95.6	Very high	89.1	Confident	109 Å²	109	48.5 Å²	48.5	67%	0.669	26%	0.263	S	S	*	.	H	α-helix	trans	-68.1	-47.1	178.2	-45.2	0	0	0	0	111.8	T218 A222 L223 A224	T218-T220 VanDerWaalsContact C-N 3.27Å; T218-T220 PolarHBondContact O-N 3.32Å; T220-A222 VanDerWaalsContact C-N 3.28Å; T220-A222 PolarHBondContact O-N 2.88Å; T220-L223 PolarHBondContact O-N 3.29Å; T220-A224 WeakPolarHBondContact O-CB 3.34Å; T220-A224 PolarHBondContact O-N 3.02Å
221	E	92.1	Very high	89.1	Confident	61 Å²	61	54.9 Å²	54.9	29%	0.285	28%	0.284	S	S	.	.	H	α-helix	trans	-62.5	-37.2	174.2	-68.1	159.2	151.7	0	0	111.3	V215 R217 T218 A224 S225	V215-E221 CarbonylContact O-C 3.44Å; V215-E221 WeakPolarHBondContact O-CB 3.42Å; R217-E221 WeakPolarHBondContact CB-OE2 3.15Å; R217-E221 IonicContact CZ-OE1 3.42Å; R217-E221 IonicContact CZ-OE2 3.73Å; R217-E221 IonicContact NE-OE1 3.29Å; R217-E221 PolarHBondContact NE-OE1 2.99Å; R217-E221 IonicContact NE-OE2 3.24Å; R217-E221 PolarHBondContact NE-OE2 2.84Å; R217-E221 IonicContact NH2-OE1 2.69Å; R217-E221 PolarHBondContact NH2-OE1 2.88Å; R217-E221 IonicContact NH2-OE2 3.53Å; T218-E221 VanDerWaalsContact CB-OE2 3.26Å; T218-E221 WeakPolarHBondContact CB-OE2 3.16Å; T218-E221 VanDerWaalsContact CG2-OE2 3.26Å; T218-E221 WeakPolarHBondContact CG2-OE2 3.31Å; T218-E221 PolarHBondContact N-OE2 3.46Å; T218-E221 PolarHBondContact O-N 3.33Å; T218-E221 WeakPolarHBondContact OG1-CB 3.43Å; T218-E221 WeakPolarHBondContact OG1-CG 3.38Å; T218-E221 PolarHBondContact OG1-N 3.04Å; T218-E221 PolarHBondContact OG1-OE2 3.36Å; E221-A224 PolarHBondContact O-N 3.23Å; E221-S225 VanDerWaalsContact O-CB 3.3Å; E221-S225 WeakPolarHBondContact O-CB 3.33Å; E221-S225 PolarHBondContact O-N 3.37Å; E221-S225 PolarHBondContact O-OG 3.3Å
222	A	90.2	Very high	89.1	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.008	30%	0.303	C	S	.	.	H	α-helix	trans	-66.7	-40.8	178.1	0	0	0	0	0	112.7	Y216 T218 P219 T220 F226 A248	Y216-A222 HydrophobicContact CD1-CB 3.82Å; T218-A222 WeakPolarHBondContact O-CB 3.27Å; T218-A222 PolarHBondContact O-N 2.95Å; P219-A222 PolarHBondContact O-N 2.84Å; T220-A222 VanDerWaalsContact C-N 3.28Å; T220-A222 PolarHBondContact O-N 2.88Å; A222-F226 PolarHBondContact O-N 3.02Å; A222-A248 HydrophobicContact CB-CB 4.36Å
223	L	93.1	Very high	88.8	Confident	65 Å²	65	59.2 Å²	59.2	34%	0.34	31%	0.307	S	S	.	.	H	α-helix	trans	-66.4	-42.3	173.5	-78.2	166.9	0	0	0	111.9	P219 T220 F226 D227 Y245 A248	P219-L223 WeakPolarHBondContact O-CG 3.36Å; P219-L223 PolarHBondContact O-N 3.39Å; T220-L223 PolarHBondContact O-N 3.29Å; L223-F226 PolarHBondContact O-N 2.81Å; L223-D227 VanDerWaalsContact O-CB 3.24Å; L223-D227 WeakPolarHBondContact O-CB 3.39Å; L223-D227 PolarHBondContact O-N 2.94Å; L223-Y245 HydrophobicContact CD2-CD1 3.77Å; L223-Y245 HydrophobicContact CD2-CE1 4.18Å; L223-A248 HydrophobicContact CD2-CB 3.65Å; L223-A248 HydrophobicContact CG-CB 3.98Å
224	A	91.9	Very high	88.6	Confident	60 Å²	60	63.5 Å²	63.5	50%	0.496	33%	0.325	S	S	.	.	H	α-helix	trans	-62.8	-42.5	175.6	0	0	0	0	0	111.8	T220 E221 D227 Y228	T220-A224 WeakPolarHBondContact O-CB 3.34Å; T220-A224 PolarHBondContact O-N 3.02Å; E221-A224 PolarHBondContact O-N 3.23Å; A224-D227 PolarHBondContact O-N 3.38Å; A224-Y228 PolarHBondContact O-N 3.28Å
225	S	89	Confident	88.1	Confident	27 Å²	27	60.5 Å²	60.5	19%	0.189	31%	0.307	C	S	.	.	H	α-helix	trans	-64.3	-41.3	177.3	-60.8	0	0	0	0	112.3	V215 E221 I229	V215-S225 PolarHBondContact O-OG 3.45Å; V215-S225 VanDerWaalsContact O-OG 3.07Å; E221-S225 VanDerWaalsContact O-CB 3.3Å; E221-S225 WeakPolarHBondContact O-CB 3.33Å; E221-S225 PolarHBondContact O-N 3.37Å; E221-S225 PolarHBondContact O-OG 3.3Å; S225-I229 VanDerWaalsContact O-CG1 3.3Å; S225-I229 WeakPolarHBondContact O-CG1 3.24Å; S225-I229 PolarHBondContact O-N 2.7Å
226	F	87.1	Confident	87.9	Confident	18 Å²	18	60.2 Å²	60.2	8%	0.079	31%	0.312	C	S	.	.	H	α-helix	trans	-73.3	-34	175.1	-101.2	-86.3	0	0	0	113.9	Y216 A222 L223 Y228 I229 V230 A243 G247 A248 M251	Y216-F226 HydrophobicContact CD1-CD2 4.34Å; Y216-F226 HydrophobicContact CD1-CE2 4.33Å; Y216-F226 AromaticContact CE1-CD2 3.51Å; Y216-F226 HydrophobicContact CE1-CD2 3.51Å; Y216-F226 AromaticContact CE1-CE2 3.46Å; Y216-F226 HydrophobicContact CE1-CE2 3.46Å; Y216-F226 VanDerWaalsContact CE1-CE2 3.46Å; Y216-F226 AromaticContact CZ-CE2 3.75Å; A222-F226 PolarHBondContact O-N 3.02Å; L223-F226 PolarHBondContact O-N 2.81Å; F226-Y228 VanDerWaalsContact C-N 3.31Å; F226-I229 PolarHBondContact O-N 3.09Å; F226-V230 WeakPolarHBondContact O-CB 3.3Å; F226-V230 VanDerWaalsContact O-CG2 3.31Å; F226-V230 WeakPolarHBondContact O-CG2 3.45Å; F226-V230 PolarHBondContact O-N 2.68Å; F226-A243 WeakPolarHBondContact CD1-O 3.27Å; F226-G247 VanDerWaalsContact CE2-C 3.41Å; F226-G247 VanDerWaalsContact CE2-O 3.31Å; F226-G247 WeakPolarHBondContact CE2-O 3.44Å; F226-A248 HydrophobicContact CB-CB 4.07Å; F226-A248 VanDerWaalsContact CD2-CA 3.49Å; F226-A248 HydrophobicContact CD2-CB 4.12Å; F226-A248 VanDerWaalsContact CD2-N 3.34Å; F226-A248 HydrophobicContact CG-CB 4.25Å; F226-M251 HydrophobicContact CE2-CB 3.61Å; F226-M251 HydrophobicContact CE2-CG 3.47Å; F226-M251 VanDerWaalsContact CE2-CG 3.47Å; F226-M251 HydrophobicContact CZ-CB 4.32Å; F226-M251 HydrophobicContact CZ-CG 3.7Å
227	D	88.1	Confident	87.9	Confident	33 Å²	33	64.7 Å²	64.7	18%	0.176	35%	0.35	C	S	.	.	H	α-helix	trans	-60.9	-43.4	172.8	-168.2	46.5	0	0	0	110.7	L223 A224 V230 R231 K244	L223-D227 VanDerWaalsContact O-CB 3.24Å; L223-D227 WeakPolarHBondContact O-CB 3.39Å; L223-D227 PolarHBondContact O-N 2.94Å; A224-D227 PolarHBondContact O-N 3.38Å; D227-V230 PolarHBondContact O-N 3.27Å; D227-R231 VanDerWaalsContact CG-NE 3.33Å; D227-R231 WeakPolarHBondContact O-CB 3.13Å; D227-R231 WeakPolarHBondContact O-CD 3.45Å; D227-R231 WeakPolarHBondContact O-CG 3.37Å; D227-R231 PolarHBondContact O-N 3.38Å; D227-R231 IonicContact OD1-CZ 3.62Å; D227-R231 IonicContact OD1-NE 3.63Å; D227-R231 PolarHBondContact OD1-NE 3.02Å; D227-R231 IonicContact OD1-NH2 3.08Å; D227-R231 IonicContact OD2-CZ 3.27Å; D227-R231 IonicContact OD2-NE 3.35Å; D227-R231 PolarHBondContact OD2-NE 2.79Å; D227-R231 VanDerWaalsContact OD2-NE 3.15Å; D227-R231 IonicContact OD2-NH2 2.7Å; D227-R231 PolarHBondContact OD2-NH2 3.07Å; D227-K244 HydrophobicContact CB-CD 4.16Å; D227-K244 WeakPolarHBondContact OD1-CD 3.44Å; D227-K244 WeakPolarHBondContact OD1-CE 3.32Å; D227-K244 IonicContact OD1-NZ 3.15Å; D227-K244 PolarHBondContact OD1-NZ 2.9Å; D227-K244 IonicContact OD2-NZ 3.71Å
228	Y	87.8	Confident	87.8	Confident	86 Å²	86	64 Å²	64	34%	0.337	36%	0.36	S	S	.	.	H	α-helix	trans	-60.6	-50.2	172.1	179.5	-106.5	0	0	0	112.2	T75 A224 F226 V230 R231 E232	T75-Y228 HydrophobicContact CG2-CE1 4.4Å; T75-Y228 WeakPolarHBondContact CG2-OH 3.49Å; A224-Y228 PolarHBondContact O-N 3.28Å; F226-Y228 VanDerWaalsContact C-N 3.31Å; Y228-V230 VanDerWaalsContact C-N 3.28Å; Y228-V230 PolarHBondContact O-N 2.87Å; Y228-R231 PolarHBondContact O-N 3.43Å; Y228-R231 VanDerWaalsContact O-N 3.16Å; Y228-E232 HydrophobicContact CD2-CG 3.91Å; Y228-E232 HydrophobicContact CE1-CG 4.22Å; Y228-E232 HydrophobicContact CE2-CG 3.41Å; Y228-E232 VanDerWaalsContact CE2-CG 3.41Å; Y228-E232 HydrophobicContact CG-CG 4.48Å; Y228-E232 PolarHBondContact O-N 2.86Å
229	I	84.9	Confident	87.5	Confident	39 Å²	39	64.1 Å²	64.1	20%	0.2	36%	0.357	C	S	.	.	H	α-helix	trans	-58	-39.3	177.9	-72.2	165.1	0	0	0	112.2	Y216 S225 F226 G233 F235	Y216-I229 WeakPolarHBondContact OH-CD1 3.49Å; S225-I229 VanDerWaalsContact O-CG1 3.3Å; S225-I229 WeakPolarHBondContact O-CG1 3.24Å; S225-I229 PolarHBondContact O-N 2.7Å; F226-I229 PolarHBondContact O-N 3.09Å; I229-G233 WeakPolarHBondContact O-CA 3.28Å; I229-G233 PolarHBondContact O-N 3.4Å; I229-F235 HydrophobicContact CG2-CE2 4.08Å; I229-F235 HydrophobicContact CG2-CZ 4.22Å; I229-F235 WeakPolarHBondContact O-CE2 3.23Å
230	V	85.9	Confident	87.2	Confident	27 Å²	27	60.7 Å²	60.7	16%	0.164	34%	0.336	C	S	.	.	H	α-helix	trans	-74.8	-29.6	-180	168	0	0	0	0	112.5	F226 D227 Y228 F235 G240 A243 K244	F226-V230 WeakPolarHBondContact O-CB 3.3Å; F226-V230 VanDerWaalsContact O-CG2 3.31Å; F226-V230 WeakPolarHBondContact O-CG2 3.45Å; F226-V230 PolarHBondContact O-N 2.68Å; D227-V230 PolarHBondContact O-N 3.27Å; Y228-V230 VanDerWaalsContact C-N 3.28Å; Y228-V230 PolarHBondContact O-N 2.87Å; V230-F235 HydrophobicContact CB-CD2 4.3Å; V230-F235 HydrophobicContact CG1-CB 4.43Å; V230-F235 HydrophobicContact CG1-CD2 4.45Å; V230-F235 HydrophobicContact CG1-CG 4.44Å; V230-F235 HydrophobicContact CG2-CD2 4.21Å; V230-F235 HydrophobicContact CG2-CE1 4.4Å; V230-F235 HydrophobicContact CG2-CE2 4.11Å; V230-F235 HydrophobicContact CG2-CG 4.4Å; V230-F235 HydrophobicContact CG2-CZ 4.19Å; V230-G240 VanDerWaalsContact CG1-CA 3.49Å; V230-A243 HydrophobicContact CG2-CB 4.19Å; V230-K244 HydrophobicContact CG2-CB 4.3Å
231	R	84.2	Confident	86.9	Confident	178 Å²	178	58.1 Å²	58.1	67%	0.672	33%	0.325	S	S	*	.	H	α-helix	trans	-77.2	-43.3	177.8	-73.8	170	-172.6	-155.7	4.9	113.1	D227 Y228	D227-R231 VanDerWaalsContact CG-NE 3.33Å; D227-R231 WeakPolarHBondContact O-CB 3.13Å; D227-R231 WeakPolarHBondContact O-CD 3.45Å; D227-R231 WeakPolarHBondContact O-CG 3.37Å; D227-R231 PolarHBondContact O-N 3.38Å; D227-R231 IonicContact OD1-CZ 3.62Å; D227-R231 IonicContact OD1-NE 3.63Å; D227-R231 PolarHBondContact OD1-NE 3.02Å; D227-R231 IonicContact OD1-NH2 3.08Å; D227-R231 IonicContact OD2-CZ 3.27Å; D227-R231 IonicContact OD2-NE 3.35Å; D227-R231 PolarHBondContact OD2-NE 2.79Å; D227-R231 VanDerWaalsContact OD2-NE 3.15Å; D227-R231 IonicContact OD2-NH2 2.7Å; D227-R231 PolarHBondContact OD2-NH2 3.07Å; Y228-R231 PolarHBondContact O-N 3.43Å; Y228-R231 VanDerWaalsContact O-N 3.16Å
232	E	83.4	Confident	86.8	Confident	122 Å²	122	59.3 Å²	59.3	57%	0.57	34%	0.337	S	S	*	.	H	α-helix	trans	-82	-32.6	179.7	-60.1	-62.7	138	0	0	112.2	Y228	Y228-E232 HydrophobicContact CD2-CG 3.91Å; Y228-E232 HydrophobicContact CE1-CG 4.22Å; Y228-E232 HydrophobicContact CE2-CG 3.41Å; Y228-E232 VanDerWaalsContact CE2-CG 3.41Å; Y228-E232 HydrophobicContact CG-CG 4.48Å; Y228-E232 PolarHBondContact O-N 2.86Å
233	G	79.4	Confident	86.6	Confident	16 Å²	16	60.1 Å²	60.1	17%	0.165	34%	0.344	C	S	.	.	S	Bend	trans	-82.3	157.7	-178.3	0	0	0	0	0	113.7	I229 F235	I229-G233 WeakPolarHBondContact O-CA 3.28Å; I229-G233 PolarHBondContact O-N 3.4Å; G233-F235 PolarHBondContact O-N 3.15Å
234	K	82.9	Confident	86.4	Confident	98 Å²	98	59.3 Å²	59.3	43%	0.426	34%	0.337	S	S	.	.			trans	-78.3	80.7	179.6	-173.4	-176.8	-174.5	-172.4	0	112.7	E96 N98 E104	E96-K234 HydrophobicContact CB-CB 4.21Å; E96-K234 HydrophobicContact CG-CB 3.6Å; E96-K234 WeakPolarHBondContact O-CD 3.27Å; N98-K234 WeakPolarHBondContact CB-O 3.45Å; N98-K234 PolarHBondContact ND2-O 2.97Å; E104-K234 WeakPolarHBondContact OE1-CE 3.33Å; E104-K234 IonicContact OE1-NZ 2.71Å; E104-K234 PolarHBondContact OE1-NZ 3.08Å
235	F	78.5	Confident	86.4	Confident	39 Å²	39	63.4 Å²	63.4	17%	0.171	34%	0.341	C	S	.	.			trans	-106.5	145.4	173.8	-69	-94.5	0	0	0	112.2	P99 V100 I229 V230 G233 E239 A243	P99-F235 HydrophobicContact CG-CE1 3.76Å; P99-F235 HydrophobicContact CG-CE2 3.78Å; P99-F235 HydrophobicContact CG-CZ 3.26Å; V100-F235 HydrophobicContact CG2-CE1 4.16Å; I229-F235 HydrophobicContact CG2-CE2 4.08Å; I229-F235 HydrophobicContact CG2-CZ 4.22Å; I229-F235 WeakPolarHBondContact O-CE2 3.23Å; V230-F235 HydrophobicContact CB-CD2 4.3Å; V230-F235 HydrophobicContact CG1-CB 4.43Å; V230-F235 HydrophobicContact CG1-CD2 4.45Å; V230-F235 HydrophobicContact CG1-CG 4.44Å; V230-F235 HydrophobicContact CG2-CD2 4.21Å; V230-F235 HydrophobicContact CG2-CE1 4.4Å; V230-F235 HydrophobicContact CG2-CE2 4.11Å; V230-F235 HydrophobicContact CG2-CG 4.4Å; V230-F235 HydrophobicContact CG2-CZ 4.19Å; G233-F235 PolarHBondContact O-N 3.15Å; F235-E239 HydrophobicContact CD1-CG 4.32Å; F235-A243 HydrophobicContact CD1-CB 4.06Å; F235-A243 HydrophobicContact CE1-CB 3.73Å
236	G	85.2	Confident	86.5	Confident	35 Å²	35	68.5 Å²	68.5	36%	0.361	36%	0.363	S	S	.	.			trans	-72.2	153.8	164.8	0	0	0	0	0	111.4	V238 E239 G240	G236-V238 PolarHBondContact O-N 3.16Å; G236-E239 PolarHBondContact N-OE2 2.97Å; G236-E239 CarbonylContact O-C 3.35Å; G236-E239 PolarHBondContact O-N 3.45Å; G236-E239 VanDerWaalsContact O-N 3.12Å; G236-G240 PolarHBondContact O-N 3.47Å
237	A	87.1	Confident	86.6	Confident	98 Å²	98	68.3 Å²	68.3	81%	0.81	37%	0.367	S	S	*	.	H	α-helix	trans	-53.5	-49.1	-173	0	0	0	0	0	114.5	A241	A237-A241 PolarHBondContact O-N 3.45Å
238	V	90.1	Very high	86.7	Confident	116 Å²	116	66.9 Å²	66.9	70%	0.703	36%	0.36	S	S	*	.	H	α-helix	trans	-70.8	-41.2	177.4	-178.2	0	0	0	0	111.5	G236 G240 A241 V242	G236-V238 PolarHBondContact O-N 3.16Å; V238-G240 PolarHBondContact O-N 2.94Å; V238-A241 PolarHBondContact O-N 3.04Å; V238-V242 WeakPolarHBondContact O-CG2 3.24Å; V238-V242 PolarHBondContact O-N 2.96Å; V238-V242 VanDerWaalsContact O-N 3.09Å
239	E	87	Confident	87	Confident	44 Å²	44	65.4 Å²	65.4	21%	0.206	37%	0.365	C	S	.	.	H	α-helix	trans	-61.5	-43.8	179.1	-176.3	-179.2	-119.5	0	0	111.2	N98 R101 F235 G236 V242 A243	N98-E239 PolarHBondContact ND2-OE2 3.25Å; R101-E239 IonicContact NE-OE1 3.86Å; R101-E239 PolarHBondContact NE-OE1 3.36Å; F235-E239 HydrophobicContact CD1-CG 4.32Å; G236-E239 PolarHBondContact N-OE2 2.97Å; G236-E239 CarbonylContact O-C 3.35Å; G236-E239 PolarHBondContact O-N 3.45Å; G236-E239 VanDerWaalsContact O-N 3.12Å; E239-V242 PolarHBondContact O-N 2.8Å; E239-A243 WeakPolarHBondContact O-CB 3.4Å; E239-A243 PolarHBondContact O-N 2.83Å
240	G	86.6	Confident	87.3	Confident	3 Å²	3	65.8 Å²	65.8	3%	0.031	37%	0.374	C	S	.	.	H	α-helix	trans	-66.1	-43	177.2	0	0	0	0	0	112.8	V230 G236 V238 V242 A243 K244	V230-G240 VanDerWaalsContact CG1-CA 3.49Å; G236-G240 PolarHBondContact O-N 3.47Å; V238-G240 PolarHBondContact O-N 2.94Å; G240-V242 PolarHBondContact O-N 3.4Å; G240-A243 PolarHBondContact O-N 2.88Å; G240-K244 WeakPolarHBondContact O-CB 3.41Å; G240-K244 PolarHBondContact O-N 3.49Å
241	A	89.7	Confident	87.4	Confident	54 Å²	54	65 Å²	65	45%	0.446	37%	0.369	S	S	.	.	H	α-helix	trans	-58.7	-46.9	174.6	0	0	0	0	0	111.6	A237 V238 Y245	A237-A241 PolarHBondContact O-N 3.45Å; V238-A241 PolarHBondContact O-N 3.04Å; A241-Y245 VanDerWaalsContact O-CD2 3.26Å; A241-Y245 WeakPolarHBondContact O-CD2 3.1Å
242	V	91.3	Very high	87.7	Confident	86 Å²	86	60 Å²	60	52%	0.521	35%	0.351	S	S	.	.	H	α-helix	trans	-66	-45.8	175.9	175.3	0	0	0	0	111.3	V238 E239 G240 K244 Y245 M246	V238-V242 WeakPolarHBondContact O-CG2 3.24Å; V238-V242 PolarHBondContact O-N 2.96Å; V238-V242 VanDerWaalsContact O-N 3.09Å; E239-V242 PolarHBondContact O-N 2.8Å; G240-V242 PolarHBondContact O-N 3.4Å; V242-K244 VanDerWaalsContact C-N 3.29Å; V242-K244 PolarHBondContact O-N 3.22Å; V242-Y245 PolarHBondContact O-N 3.3Å; V242-M246 HydrophobicContact CG1-CG 4.02Å; V242-M246 WeakPolarHBondContact O-CB 3.29Å; V242-M246 PolarHBondContact O-N 3.32Å
243	A	86	Confident	88.1	Confident	19 Å²	19	59.3 Å²	59.3	16%	0.157	35%	0.35	C	S	.	.	H	α-helix	trans	-62	-34.7	-179.3	0	0	0	0	0	112.6	F226 V230 F235 E239 G240 G247	F226-A243 WeakPolarHBondContact CD1-O 3.27Å; V230-A243 HydrophobicContact CG2-CB 4.19Å; F235-A243 HydrophobicContact CD1-CB 4.06Å; F235-A243 HydrophobicContact CE1-CB 3.73Å; E239-A243 WeakPolarHBondContact O-CB 3.4Å; E239-A243 PolarHBondContact O-N 2.83Å; G240-A243 PolarHBondContact O-N 2.88Å; A243-G247 WeakPolarHBondContact O-CA 3.49Å; A243-G247 PolarHBondContact O-N 2.83Å
244	K	87.9	Confident	88.5	Confident	47 Å²	47	61.1 Å²	61.1	20%	0.204	36%	0.356	C	S	.	.	H	α-helix	trans	-58.1	-55.3	176.2	175.6	175.2	173.4	168.7	0	111.6	D227 V230 G240 V242 A248	D227-K244 HydrophobicContact CB-CD 4.16Å; D227-K244 WeakPolarHBondContact OD1-CD 3.44Å; D227-K244 WeakPolarHBondContact OD1-CE 3.32Å; D227-K244 IonicContact OD1-NZ 3.15Å; D227-K244 PolarHBondContact OD1-NZ 2.9Å; D227-K244 IonicContact OD2-NZ 3.71Å; V230-K244 HydrophobicContact CG2-CB 4.3Å; G240-K244 WeakPolarHBondContact O-CB 3.41Å; G240-K244 PolarHBondContact O-N 3.49Å; V242-K244 VanDerWaalsContact C-N 3.29Å; V242-K244 PolarHBondContact O-N 3.22Å; K244-A248 WeakPolarHBondContact O-CB 3.32Å; K244-A248 PolarHBondContact O-N 3.43Å; K244-A248 VanDerWaalsContact O-N 3.15Å
245	Y	92.1	Very high	88.7	Confident	146 Å²	146	56.6 Å²	56.6	57%	0.573	34%	0.336	S	S	*	.	H	α-helix	trans	-77.2	-48	-175.9	-64.5	-75.5	0	0	0	112.5	L223 A241 V242 A249	L223-Y245 HydrophobicContact CD2-CD1 3.77Å; L223-Y245 HydrophobicContact CD2-CE1 4.18Å; A241-Y245 VanDerWaalsContact O-CD2 3.26Å; A241-Y245 WeakPolarHBondContact O-CD2 3.1Å; V242-Y245 PolarHBondContact O-N 3.3Å; Y245-A249 WeakPolarHBondContact O-CB 3.34Å; Y245-A249 PolarHBondContact O-N 3.13Å; Y245-A249 VanDerWaalsContact O-N 3.08Å
246	M	91.7	Very high	89.3	Confident	134 Å²	134	59 Å²	59	66%	0.66	35%	0.346	S	S	*	.	H	α-helix	trans	-68.1	-39.5	-179.5	-70	-65.4	-71	0	0	111.9	V242 A250	V242-M246 HydrophobicContact CG1-CG 4.02Å; V242-M246 WeakPolarHBondContact O-CB 3.29Å; V242-M246 PolarHBondContact O-N 3.32Å; M246-A250 VanDerWaalsContact O-CB 3.28Å; M246-A250 WeakPolarHBondContact O-CB 3.21Å; M246-A250 PolarHBondContact O-N 3.4Å
247	G	89.3	Confident	89.5	Confident	15 Å²	15	66.5 Å²	66.5	16%	0.155	36%	0.364	C	S	.	.	H	α-helix	trans	-66.1	-45.7	176.6	0	0	0	0	0	112.2	F226 A243 A249 A250 M251	F226-G247 VanDerWaalsContact CE2-C 3.41Å; F226-G247 VanDerWaalsContact CE2-O 3.31Å; F226-G247 WeakPolarHBondContact CE2-O 3.44Å; A243-G247 WeakPolarHBondContact O-CA 3.49Å; A243-G247 PolarHBondContact O-N 2.83Å; G247-A249 PolarHBondContact O-N 3.35Å; G247-A250 PolarHBondContact O-N 2.89Å; G247-M251 WeakPolarHBondContact O-CB 3.44Å; G247-M251 PolarHBondContact O-N 2.91Å
248	A	90	Very high	89.3	Confident	3 Å²	3	64 Å²	64	3%	0.025	34%	0.337	C	S	.	.	H	α-helix	trans	-58.9	-46.9	175.2	0	0	0	0	0	112.2	A222 L223 F226 K244 M251 Y252	A222-A248 HydrophobicContact CB-CB 4.36Å; L223-A248 HydrophobicContact CD2-CB 3.65Å; L223-A248 HydrophobicContact CG-CB 3.98Å; F226-A248 HydrophobicContact CB-CB 4.07Å; F226-A248 VanDerWaalsContact CD2-CA 3.49Å; F226-A248 HydrophobicContact CD2-CB 4.12Å; F226-A248 VanDerWaalsContact CD2-N 3.34Å; F226-A248 HydrophobicContact CG-CB 4.25Å; K244-A248 WeakPolarHBondContact O-CB 3.32Å; K244-A248 PolarHBondContact O-N 3.43Å; K244-A248 VanDerWaalsContact O-N 3.15Å; A248-M251 PolarHBondContact O-N 3.43Å; A248-Y252 VanDerWaalsContact O-CB 3.27Å; A248-Y252 WeakPolarHBondContact O-CB 3.44Å; A248-Y252 PolarHBondContact O-N 2.84Å
249	A	92.9	Very high	89	Confident	55 Å²	55	62.2 Å²	62.2	46%	0.455	32%	0.319	S	S	.	.	H	α-helix	trans	-62.7	-46.5	178.1	0	0	0	0	0	112	Y245 G247 L253	Y245-A249 WeakPolarHBondContact O-CB 3.34Å; Y245-A249 PolarHBondContact O-N 3.13Å; Y245-A249 VanDerWaalsContact O-N 3.08Å; G247-A249 PolarHBondContact O-N 3.35Å; A249-L253 WeakPolarHBondContact O-CG 3.39Å; A249-L253 PolarHBondContact O-N 3.27Å
250	A	91.6	Very high	89	Confident	47 Å²	47	64.6 Å²	64.6	39%	0.388	34%	0.341	S	S	.	.	H	α-helix	trans	-61.9	-46.2	177.3	0	0	0	0	0	111.8	M246 G247 L253 I254	M246-A250 VanDerWaalsContact O-CB 3.28Å; M246-A250 WeakPolarHBondContact O-CB 3.21Å; M246-A250 PolarHBondContact O-N 3.4Å; G247-A250 PolarHBondContact O-N 2.89Å; A250-L253 PolarHBondContact O-N 3.32Å; A250-I254 VanDerWaalsContact O-CG1 3.27Å; A250-I254 WeakPolarHBondContact O-CG1 3.26Å; A250-I254 PolarHBondContact O-N 3.16Å
251	M	88.4	Confident	88.9	Confident	9 Å²	9	72.9 Å²	72.9	4%	0.044	37%	0.371	C	S	.	.	H	α-helix	trans	-73.7	-30.2	-177.5	-76.9	-60.2	-66	0	0	113.7	A65 Y216 F226 G247 A248 L253 I254 S255	A65-M251 HydrophobicContact CB-CE 3.36Å; A65-M251 HydrophobicContact CB-CG 4.04Å; A65-M251 HydrophobicContact CB-SD 3.27Å; A65-M251 WeakPolarHBondContact CB-SD 3.22Å; Y216-M251 HydrophobicContact CD1-CB 3.79Å; Y216-M251 HydrophobicContact CD2-CB 4.01Å; Y216-M251 HydrophobicContact CD2-CE 3.61Å; Y216-M251 HydrophobicContact CE1-CB 3.96Å; Y216-M251 HydrophobicContact CE2-CB 4.16Å; Y216-M251 HydrophobicContact CE2-CE 3.4Å; Y216-M251 VanDerWaalsContact CE2-CE 3.4Å; Y216-M251 HydrophobicContact CE2-CG 4.44Å; Y216-M251 HydrophobicContact CG-CB 3.87Å; F226-M251 HydrophobicContact CE2-CB 3.61Å; F226-M251 HydrophobicContact CE2-CG 3.47Å; F226-M251 VanDerWaalsContact CE2-CG 3.47Å; F226-M251 HydrophobicContact CZ-CB 4.32Å; F226-M251 HydrophobicContact CZ-CG 3.7Å; G247-M251 WeakPolarHBondContact O-CB 3.44Å; G247-M251 PolarHBondContact O-N 2.91Å; A248-M251 PolarHBondContact O-N 3.43Å; M251-L253 VanDerWaalsContact C-N 3.32Å; M251-L253 PolarHBondContact O-N 3.46Å; M251-I254 HydrophobicContact CE-CG2 4.46Å; M251-I254 PolarHBondContact O-N 3.27Å; M251-I254 HydrophobicContact SD-CB 4.08Å; M251-I254 HydrophobicContact SD-CD1 3.75Å; M251-I254 HydrophobicContact SD-CG2 4.09Å; M251-S255 VanDerWaalsContact O-CB 3.23Å; M251-S255 WeakPolarHBondContact O-CB 3.26Å; M251-S255 PolarHBondContact O-N 3.41Å
252	Y	90.3	Very high	88.4	Confident	75 Å²	75	72.3 Å²	72.3	29%	0.294	36%	0.359	S	S	.	.	H	α-helix	trans	-59.6	-41.4	167.1	174.5	-103.7	0	0	0	111.8	R217 A248 S255 K256	R217-Y252 WeakPolarHBondContact O-CE2 3.44Å; A248-Y252 VanDerWaalsContact O-CB 3.27Å; A248-Y252 WeakPolarHBondContact O-CB 3.44Å; A248-Y252 PolarHBondContact O-N 2.84Å; Y252-S255 PolarHBondContact O-OG 2.87Å; Y252-K256 WeakPolarHBondContact O-CG 3.41Å
253	L	91.8	Very high	87.8	Confident	107 Å²	107	78.9 Å²	78.9	56%	0.56	38%	0.375	S	S	*	.	H	α-helix	trans	-73.3	-38	176.8	-64.5	175.3	0	0	0	112.5	A249 A250 M251 R257	A249-L253 WeakPolarHBondContact O-CG 3.39Å; A249-L253 PolarHBondContact O-N 3.27Å; A250-L253 PolarHBondContact O-N 3.32Å; M251-L253 VanDerWaalsContact C-N 3.32Å; M251-L253 PolarHBondContact O-N 3.46Å; L253-R257 PolarHBondContact O-N 3.43Å
254	I	88.8	Confident	87	Confident	54 Å²	54	79.4 Å²	79.4	28%	0.277	38%	0.375	S	S	.	.	H	α-helix	trans	-65.9	-38.5	175.5	-69.3	163.2	0	0	0	110.7	A250 M251 K256 R257 L258	A250-I254 VanDerWaalsContact O-CG1 3.27Å; A250-I254 WeakPolarHBondContact O-CG1 3.26Å; A250-I254 PolarHBondContact O-N 3.16Å; M251-I254 HydrophobicContact CE-CG2 4.46Å; M251-I254 PolarHBondContact O-N 3.27Å; M251-I254 HydrophobicContact SD-CB 4.08Å; M251-I254 HydrophobicContact SD-CD1 3.75Å; M251-I254 HydrophobicContact SD-CG2 4.09Å; I254-K256 VanDerWaalsContact C-N 3.35Å; I254-K256 PolarHBondContact O-N 3.35Å; I254-R257 WeakPolarHBondContact O-CB 3.47Å; I254-R257 PolarHBondContact O-N 3.42Å; I254-R257 VanDerWaalsContact O-N 3.13Å; I254-L258 HydrophobicContact CG2-CD1 3.78Å; I254-L258 HydrophobicContact CG2-CG 4.04Å; I254-L258 WeakPolarHBondContact O-CG 3.46Å; I254-L258 PolarHBondContact O-N 2.94Å
255	S	87.3	Confident	85.4	Confident	2 Å²	2	88.6 Å²	88.6	1%	0.014	42%	0.418	C	S	.	.	H	α-helix	trans	-62.1	-39.8	-179	80.9	0	0	0	0	112.2	Y216 M251 Y252 L258 K259	Y216-S255 PolarHBondContact O-OG 3.35Å; M251-S255 VanDerWaalsContact O-CB 3.23Å; M251-S255 WeakPolarHBondContact O-CB 3.26Å; M251-S255 PolarHBondContact O-N 3.41Å; Y252-S255 PolarHBondContact O-OG 2.87Å; S255-L258 PolarHBondContact O-N 2.69Å; S255-K259 WeakPolarHBondContact O-CB 3.5Å; S255-K259 PolarHBondContact O-N 2.75Å
256	K	89.6	Confident	85	Confident	90 Å²	90	85.7 Å²	85.7	39%	0.391	41%	0.41	S	S	.	.	H	α-helix	trans	-63.2	-41.3	173.6	-55.9	-58.4	172.3	-178.9	0	112	R217 Y252 I254 S260	R217-K256 PolarHBondContact O-NZ 2.62Å; Y252-K256 WeakPolarHBondContact O-CG 3.41Å; I254-K256 VanDerWaalsContact C-N 3.35Å; I254-K256 PolarHBondContact O-N 3.35Å; K256-S260 PolarHBondContact O-N 3.24Å; K256-S260 VanDerWaalsContact O-N 3.15Å
257	R	89.3	Confident	84.7	Confident	193 Å²	193	83.2 Å²	83.2	73%	0.728	40%	0.397	S	S	*	.	H	α-helix	trans	-66.7	-40.6	175.7	-67.9	179.5	178.9	177.3	0.7	112	L253 I254 R261	L253-R257 PolarHBondContact O-N 3.43Å; I254-R257 WeakPolarHBondContact O-CB 3.47Å; I254-R257 PolarHBondContact O-N 3.42Å; I254-R257 VanDerWaalsContact O-N 3.13Å; R257-R261 WeakPolarHBondContact O-CB 3.4Å; R257-R261 PolarHBondContact O-N 3.15Å
258	L	84	Confident	84.4	Confident	45 Å²	45	86.9 Å²	86.9	24%	0.236	41%	0.411	C	S	.	.	H	α-helix	trans	-64.9	-46.5	175	-71.6	173.9	0	0	0	111.4	P213 I254 S255 S260 R261 H262	P213-L258 HydrophobicContact CG-CB 4.2Å; I254-L258 HydrophobicContact CG2-CD1 3.78Å; I254-L258 HydrophobicContact CG2-CG 4.04Å; I254-L258 WeakPolarHBondContact O-CG 3.46Å; I254-L258 PolarHBondContact O-N 2.94Å; S255-L258 PolarHBondContact O-N 2.69Å; L258-S260 VanDerWaalsContact C-N 3.3Å; L258-S260 PolarHBondContact O-N 3.29Å; L258-R261 PolarHBondContact O-N 3.41Å; L258-R261 VanDerWaalsContact O-N 3.16Å; L258-H262 PolarHBondContact O-CD2 2.92Å; L258-H262 VanDerWaalsContact O-CD2 3.27Å; L258-H262 PolarHBondContact O-N 3.21Å
259	K	84.6	Confident	84.1	Confident	79 Å²	79	91.9 Å²	91.9	34%	0.343	43%	0.434	S	S	.	.	H	α-helix	trans	-52.5	-48.8	175.7	-179	166.5	-178.7	166.5	0	111.3	P213 S255 R263 L264 Q265	P213-K259 HydrophobicContact CB-CB 4.36Å; S255-K259 WeakPolarHBondContact O-CB 3.5Å; S255-K259 PolarHBondContact O-N 2.75Å; K259-R263 PolarHBondContact O-N 3.16Å; K259-L264 WeakPolarHBondContact CE-O 2.95Å; K259-L264 HydrophobicContact CG-CB 4.2Å; K259-L264 VanDerWaalsContact CG-O 3.23Å; K259-L264 WeakPolarHBondContact CG-O 3.23Å; K259-L264 PolarHBondContact O-N 3.22Å; K259-L264 VanDerWaalsContact O-N 3.08Å; K259-Q265 WeakPolarHBondContact CE-O 3.14Å; K259-Q265 WeakPolarHBondContact CE-OXT 3.16Å; K259-Q265 PolarHBondContact NZ-O 2.69Å; K259-Q265 PolarHBondContact NZ-OXT 2.79Å
260	S	87	Confident	83.5	Confident	94 Å²	94	94.2 Å²	94.2	66%	0.657	43%	0.432	S	S	*	.	H	α-helix	trans	-63.4	-48.5	175.8	177.9	0	0	0	0	112.8	K256 L258 H262 R263	K256-S260 PolarHBondContact O-N 3.24Å; K256-S260 VanDerWaalsContact O-N 3.15Å; L258-S260 VanDerWaalsContact C-N 3.3Å; L258-S260 PolarHBondContact O-N 3.29Å; S260-H262 PolarHBondContact O-N 3.08Å; S260-R263 PolarHBondContact O-N 3.49Å
261	R	83.4	Confident	83	Confident	177 Å²	177	97.3 Å²	97.3	67%	0.668	44%	0.435	S	S	*	.	H	α-helix	trans	-61.6	-42	-178.2	-176.1	-179	-179.8	-176.9	-0.8	112.9	R257 L258 R263	R257-R261 WeakPolarHBondContact O-CB 3.4Å; R257-R261 PolarHBondContact O-N 3.15Å; L258-R261 PolarHBondContact O-N 3.41Å; L258-R261 VanDerWaalsContact O-N 3.16Å; R261-R263 VanDerWaalsContact C-N 3.3Å
262	H	79.5	Confident	82.6	Confident	42 Å²	42	103.6 Å²	103.6	19%	0.194	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	7.6	-178.6	-66.2	-86.1	0	0	0	113.2	H209 L258 S260 L264	H209-H262 AromaticContact CD2-CE1 3.38Å; H209-H262 PolarHBondContact CD2-CE1 2.9Å; H209-H262 AromaticContact CD2-ND1 3.62Å; H209-H262 AromaticContact CG-CE1 3.61Å; H209-H262 AromaticContact CG-ND1 3.89Å; H209-H262 AromaticContact ND1-CE1 4Å; H209-H262 AromaticContact NE2-CE1 3.62Å; L258-H262 PolarHBondContact O-CD2 2.92Å; L258-H262 VanDerWaalsContact O-CD2 3.27Å; L258-H262 PolarHBondContact O-N 3.21Å; S260-H262 PolarHBondContact O-N 3.08Å; H262-L264 HydrophobicContact CB-CD1 4.14Å; H262-L264 HydrophobicContact CB-CD2 4.42Å; H262-L264 HydrophobicContact CB-CG 3.9Å; H262-L264 PolarHBondContact O-N 3.24Å; H262-L264 VanDerWaalsContact O-N 3.16Å
263	R	79.1	Confident	82	Confident	224 Å²	224	105.8 Å²	105.8	85%	0.845	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	34.4	179.6	-59.3	-177.3	178.8	177.2	-0	114	K259 S260 R261 Q265	K259-R263 PolarHBondContact O-N 3.16Å; S260-R263 PolarHBondContact O-N 3.49Å; R261-R263 VanDerWaalsContact C-N 3.3Å; R263-Q265 PolarHBondContact O-N 2.7Å
264	L	68.7	Low	81.2	Confident	30 Å²	30	105.8 Å²	105.8	16%	0.157	47%	0.469	C	S	.	.			trans	-78.3	123	176.4	-53.6	175.7	0	0	0	107.5	W206 L210 P213 K259 H262	W206-L264 HydrophobicContact CH2-CD2 3.74Å; W206-L264 HydrophobicContact CZ2-CD2 3.69Å; L210-L264 HydrophobicContact CD2-CD1 3.66Å; L210-L264 HydrophobicContact CD2-CD2 3.39Å; L210-L264 HydrophobicContact CD2-CG 4.14Å; P213-L264 HydrophobicContact CB-CD1 4.32Å; P213-L264 HydrophobicContact CG-CD1 3.9Å; K259-L264 WeakPolarHBondContact CE-O 2.95Å; K259-L264 HydrophobicContact CG-CB 4.2Å; K259-L264 VanDerWaalsContact CG-O 3.23Å; K259-L264 WeakPolarHBondContact CG-O 3.23Å; K259-L264 PolarHBondContact O-N 3.22Å; K259-L264 VanDerWaalsContact O-N 3.08Å; H262-L264 HydrophobicContact CB-CD1 4.14Å; H262-L264 HydrophobicContact CB-CD2 4.42Å; H262-L264 HydrophobicContact CB-CG 3.9Å; H262-L264 PolarHBondContact O-N 3.24Å; H262-L264 VanDerWaalsContact O-N 3.16Å
265	Q	53.3	Low	80.5	Confident	239 Å²	239	110.5 Å²	110.5	100%	1.117	49%	0.487	S	S	*	.			trans	-70.3	0	-178	-70.4	-173.8	-16.7	0	0	112.3	K259 R263	K259-Q265 WeakPolarHBondContact CE-O 3.14Å; K259-Q265 WeakPolarHBondContact CE-OXT 3.16Å; K259-Q265 PolarHBondContact NZ-O 2.69Å; K259-Q265 PolarHBondContact NZ-OXT 2.79Å; R263-Q265 PolarHBondContact O-N 2.7Å

Retrieved 265 of 265 residues in 44.3 ms (Link to these results)

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