A0A077ZFE0_TRITR Loading...

L dopachrome tautomerase

AlphaFold DB , UniProt , Accession A0A077ZFE0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 605 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.2	Very low	29.3	Very low	232 Å²	232	118.5 Å²	118.5	100%	1.143	66%	0.656	S	S	*	*				0	136.1	0	-77.7	178.9	166.5	0	0	107.3	L3	M1-L3 PolarHBondContact O-N 3.14Å; M1-L3 VanDerWaalsContact O-N 3.17Å
2	P	32.4	Very low	28.7	Very low	114 Å²	114	119.6 Å²	119.6	74%	0.74	68%	0.676	S	S	*	*			trans	-76.6	103.3	-160.3	29.3	-35.3	0	0	0	113
3	L	31	Very low	28.4	Very low	96 Å²	96	119.3 Å²	119.3	50%	0.503	68%	0.684	S	S	.	*	S	Bend	trans	-153.8	131.2	167.9	-73.5	175.6	0	0	0	106.5	M1 D5	M1-L3 PolarHBondContact O-N 3.14Å; M1-L3 VanDerWaalsContact O-N 3.17Å; L3-D5 PolarHBondContact N-OD2 2.99Å
4	F	34.7	Very low	28.1	Very low	100 Å²	100	119 Å²	119	44%	0.439	69%	0.693	S	S	.	*	S	Bend	trans	83.1	21.1	-177.7	-54.4	-69.7	0	0	0	118.3	K363 W440	F4-K363 HydrophobicContact CB-CD 4.27Å; F4-K363 WeakPolarHBondContact O-CD 3.31Å; F4-K363 WeakPolarHBondContact O-CE 3.3Å; F4-K363 PolarHBondContact O-NZ 2.81Å; F4-W440 HydrophobicContact CE2-CH2 4.31Å; F4-W440 AromaticContact CZ-CH2 3.81Å; F4-W440 HydrophobicContact CZ-CH2 3.81Å; F4-W440 HydrophobicContact CZ-CZ2 4.22Å
5	D	30.4	Very low	27.7	Very low	112 Å²	112	118.1 Å²	118.1	60%	0.599	70%	0.696	S	S	*	*			trans	-98.9	116.3	165.7	-25.2	-101.7	0	0	0	108.2	L3	L3-D5 PolarHBondContact N-OD2 2.99Å
6	A	31.3	Very low	27.8	Very low	53 Å²	53	118.1 Å²	118.1	44%	0.438	70%	0.704	S	S	.	*			cis	-161.1	174.8	-8.5	0	0	0	0	0	106.8	N498	A6-N498 PolarHBondContact O-ND2 3.47Å
7	S	31.1	Very low	27.7	Very low	72 Å²	72	121.2 Å²	121.2	50%	0.503	72%	0.717	S	S	.	*			cis	-172.5	158.1	-13.8	37	0	0	0	0	107.7
8	L	26.2	Very low	27.9	Very low	111 Å²	111	120.6 Å²	120.6	58%	0.581	73%	0.727	S	S	*	*			trans	-90.1	126.2	172.4	-86.3	160.8	0	0	0	113.1	D359	L8-D359 PolarHBondContact N-OD2 3.23Å
9	T	25.4	Very low	28	Very low	108 Å²	108	117.9 Å²	117.9	66%	0.663	73%	0.727	S	S	*	*			trans	-126.8	160.9	160.4	56.3	0	0	0	0	109.6
10	D	24.6	Very low	27.9	Very low	142 Å²	142	120.3 Å²	120.3	76%	0.759	73%	0.729	S	S	*	*			trans	66.3	92.7	170.8	-49.8	-50.1	0	0	0	117.1
11	L	24.9	Very low	27.8	Very low	163 Å²	163	124.9 Å²	124.9	85%	0.853	73%	0.733	S	S	*	*				-167.8	95.3	119.5	-103.2	161.5	0	0	0	111.8
12	C	22.1	Very low	27.7	Very low	132 Å²	132	118.6 Å²	118.6	89%	0.892	71%	0.713	S	S	*	*			trans	-81.3	121.7	164.1	-74.2	0	0	0	0	109.8
13	C	25.3	Very low	27.3	Very low	116 Å²	116	120.5 Å²	120.5	78%	0.784	72%	0.721	S	S	*	*			trans	-125.4	104.5	167.9	-88.6	0	0	0	0	111.4
14	S	23.9	Very low	27.2	Very low	115 Å²	115	119.5 Å²	119.5	80%	0.804	73%	0.734	S	S	*	*			trans	-28.3	138	177.8	-162.9	0	0	0	0	117.3
15	S	22.2	Very low	26.7	Very low	106 Å²	106	124.1 Å²	124.1	74%	0.741	76%	0.758	S	S	*	*			trans	-64	153.5	154.4	57.5	0	0	0	0	111.1
16	S	28.9	Very low	26.4	Very low	118 Å²	118	124.8 Å²	124.8	83%	0.825	77%	0.77	S	S	*	*			trans	-145.9	141.2	158.3	65.8	0	0	0	0	109.9
17	N	26.5	Very low	26.2	Very low	171 Å²	171	132.2 Å²	132.2	91%	0.914	79%	0.792	S	S	*	*			trans	-100.8	115.5	-173.1	-82.4	-44.3	0	0	0	111.8
18	A	31.1	Very low	25.9	Very low	109 Å²	109	136.5 Å²	136.5	90%	0.901	81%	0.808	S	S	*	*			trans	-165.3	150.1	153.9	0	0	0	0	0	109.3
19	G	29.2	Very low	26	Very low	71 Å²	71	136.7 Å²	136.7	73%	0.732	82%	0.816	S	S	*	*			cis	162.2	83.7	-4.3	0	0	0	0	0	113.3
20	Q	26.2	Very low	26.1	Very low	165 Å²	165	136.6 Å²	136.6	77%	0.771	82%	0.82	S	S	*	*			trans	55.7	131.1	161.8	-78.4	-166.6	8.1	0	0	121.8
21	R	27	Very low	26.5	Very low	216 Å²	216	137.7 Å²	137.7	82%	0.815	83%	0.825	S	S	*	*			trans	96.7	130.4	136.9	-77.8	170.4	178.4	-166.5	-0.6	122.7
22	S	27.2	Very low	26.6	Very low	101 Å²	101	138 Å²	138	71%	0.706	83%	0.826	S	S	*	*			trans	65.9	101.9	140.8	59.3	0	0	0	0	121.6
23	V	25.1	Very low	27.1	Very low	153 Å²	153	137.2 Å²	137.2	93%	0.927	82%	0.82	S	S	*	*				32.2	109.3	114.3	-173.7	0	0	0	0	116.8
24	G	28.9	Very low	27.2	Very low	75 Å²	75	137.1 Å²	137.1	77%	0.773	82%	0.821	S	S	*	*			trans	-164.4	135.7	165.3	0	0	0	0	0	111.8
25	Q	23.5	Very low	27.8	Very low	198 Å²	198	140.1 Å²	140.1	93%	0.925	83%	0.827	S	S	*	*			trans	-93.3	123.5	-179.2	-66.4	174.8	-30.6	0	0	112.1
26	C	24.6	Very low	28.1	Very low	126 Å²	126	139.2 Å²	139.2	85%	0.851	82%	0.82	S	S	*	*			trans	-145.7	110.4	157.7	-84.6	0	0	0	0	106.7
27	K	25.8	Very low	28.4	Very low	209 Å²	209	141.4 Å²	141.4	91%	0.909	82%	0.817	S	S	*	*				71	111.6	61.2	-146.8	178.6	-165.6	-177.7	0	112.5
28	L	25.2	Very low	28.6	Very low	162 Å²	162	144.4 Å²	144.4	85%	0.848	82%	0.817	S	S	*	*			trans	-74	139.9	-172	-167.7	83.2	0	0	0	113
29	P	29.7	Very low	28.8	Very low	114 Å²	114	144.4 Å²	144.4	74%	0.74	81%	0.808	S	S	*	*			trans	-105.5	122.3	159.6	34	-24.5	0	0	0	111.6
30	S	26.2	Very low	28.9	Very low	107 Å²	107	148.5 Å²	148.5	75%	0.748	81%	0.811	S	S	*	*			trans	-79.1	137.4	166.5	52.5	0	0	0	0	111.1
31	L	32.5	Very low	29.4	Very low	165 Å²	165	144.1 Å²	144.1	86%	0.864	81%	0.811	S	S	*	*			trans	-157.9	107.6	163.8	-111.7	164.8	0	0	0	111.8
32	L	27.1	Very low	29.5	Very low	168 Å²	168	140.9 Å²	140.9	88%	0.88	81%	0.81	S	S	*	*			trans	-92.7	146.8	158.1	-88.2	165.4	0	0	0	108.7
33	P	33.6	Very low	29.7	Very low	117 Å²	117	142.2 Å²	142.2	76%	0.76	82%	0.817	S	S	*	*			trans	-126.6	125.8	143.8	33.9	-23.4	0	0	0	111.6
34	S	28	Very low	30.2	Very low	114 Å²	114	139.5 Å²	139.5	80%	0.797	81%	0.811	S	S	*	*			trans	-72.3	139.9	165.8	53.6	0	0	0	0	111.1
35	L	35.5	Very low	30.3	Very low	178 Å²	178	141.1 Å²	141.1	93%	0.932	81%	0.811	S	S	*	*			trans	-127.4	146	158.4	-92.4	170.1	0	0	0	110.3
36	S	29.3	Very low	30.8	Very low	86 Å²	86	140.8 Å²	140.8	60%	0.601	81%	0.812	S	S	*	*			trans	-133	171.9	-165.6	55.1	0	0	0	0	111.5
37	H	34.5	Very low	31.3	Very low	164 Å²	164	140.8 Å²	140.8	76%	0.759	81%	0.808	S	S	*	*			trans	70.3	121.1	175	-48.6	-67	0	0	0	117
38	Y	31.3	Very low	31.6	Very low	234 Å²	234	139 Å²	139	92%	0.918	81%	0.807	S	S	*	*				-134.7	154.8	105.6	-111.9	-95.8	0	0	0	108
39	P	35.4	Very low	32.2	Very low	109 Å²	109	135.8 Å²	135.8	71%	0.708	80%	0.799	S	S	*	*			trans	-103	170.9	-154	38.6	-34	0	0	0	115.6
40	I	30.6	Very low	32.4	Very low	157 Å²	157	138.1 Å²	138.1	81%	0.805	80%	0.803	S	S	*	*			trans	-66.3	144.8	170.5	-59.8	165.9	0	0	0	110.1
41	G	35.7	Very low	33.1	Very low	74 Å²	74	143.9 Å²	143.9	76%	0.763	81%	0.809	S	S	*	*			trans	-141.5	116	166.7	0	0	0	0	0	110.9
42	D	29.9	Very low	33.3	Very low	147 Å²	147	144 Å²	144	79%	0.786	81%	0.806	S	S	*	*			trans	-74.1	149.6	-177.4	-60.5	-80	0	0	0	113.7
43	C	31.3	Very low	34.1	Very low	129 Å²	129	147.7 Å²	147.7	87%	0.872	81%	0.809	S	S	*	*			trans	-165.8	159.4	136.9	-107.3	0	0	0	0	114.7
44	A	35.3	Very low	34.8	Very low	97 Å²	97	152.1 Å²	152.1	80%	0.802	81%	0.81	S	S	*	*			trans	60.2	88.3	162.1	0	0	0	0	0	118.3
45	S	32.3	Very low	35.6	Very low	109 Å²	109	154.7 Å²	154.7	76%	0.762	80%	0.804	S	S	*	*			trans	-58.9	130.9	157.9	162	0	0	0	0	112
46	M	33.9	Very low	36.2	Very low	191 Å²	191	156.4 Å²	156.4	94%	0.941	80%	0.798	S	S	*	*			trans	-132.8	123.9	153.2	-110	-170.5	174.2	0	0	110.5
47	T	33.5	Very low	37.5	Very low	125 Å²	125	155.9 Å²	155.9	77%	0.767	79%	0.794	S	S	*	*			trans	-83.6	122.1	-173.9	49.9	0	0	0	0	111.9
48	L	32.3	Very low	38.7	Very low	171 Å²	171	152 Å²	152	90%	0.895	78%	0.782	S	S	*	*			trans	-140.6	99.7	162.2	-144.7	90.8	0	0	0	114.7
49	S	37.9	Very low	39.9	Very low	96 Å²	96	147 Å²	147	67%	0.671	77%	0.767	S	S	*	*			trans	4.7	112.2	154.2	-162.3	0	0	0	0	120.5	R51	S49-R51 PolarHBondContact O-N 3.1Å
50	I	35.2	Very low	41.2	Very low	163 Å²	163	148.1 Å²	148.1	84%	0.836	76%	0.761	S	S	*	*	S	Bend		39.6	77.8	128.4	-43.9	173.6	0	0	0	116.9
51	R	39.9	Very low	42.7	Very low	228 Å²	228	146.3 Å²	146.3	86%	0.86	75%	0.752	S	S	*	*			trans	-150.5	9.1	159.4	-131.4	172.4	-174.2	171.2	1.8	118.7	S49 R53	S49-R51 PolarHBondContact O-N 3.1Å; R51-R53 PolarHBondContact O-N 3.3Å
52	M	36	Very low	43.8	Very low	166 Å²	166	147.5 Å²	147.5	82%	0.818	74%	0.74	S	S	*	*			trans	-74	-10.6	-170.3	-74.1	-70.9	-170.2	0	0	117	R54	M52-R54 VanDerWaalsContact C-N 3.34Å; M52-R54 PolarHBondContact O-N 3.48Å
53	R	44.7	Very low	45.2	Very low	246 Å²	246	146.7 Å²	146.7	93%	0.928	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	21.9	-168.7	-144.2	-177.4	-170.2	-170.6	3.1	116.2	R51	R51-R53 PolarHBondContact O-N 3.3Å
54	R	47.6	Very low	46.6	Very low	211 Å²	211	145 Å²	145	80%	0.796	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.7	-16.9	177.7	-103	-175.5	178.1	176.3	-0	116	M52	M52-R54 VanDerWaalsContact C-N 3.34Å; M52-R54 PolarHBondContact O-N 3.48Å
55	Y	45.7	Very low	47.6	Very low	168 Å²	168	146.8 Å²	146.8	66%	0.659	71%	0.707	S	S	*	*	H	α-helix	trans	-73.4	-39.7	-177.7	-85.1	-89.4	0	0	0	113.1	S57 V58 E59	Y55-S57 PolarHBondContact O-N 3.07Å; Y55-S57 VanDerWaalsContact O-N 3.1Å; Y55-V58 PolarHBondContact O-N 3.02Å; Y55-E59 PolarHBondContact O-N 3.12Å
56	W	47.4	Very low	48.7	Very low	214 Å²	214	145.6 Å²	145.6	81%	0.811	69%	0.692	S	S	*	*	H	α-helix	trans	-53.3	-32.3	175.3	-77.4	87.5	0	0	0	113.9	V58 F60	W56-V58 VanDerWaalsContact C-N 3.34Å; W56-F60 WeakPolarHBondContact O-CB 3.22Å; W56-F60 PolarHBondContact O-N 3Å
57	S	57.9	Low	49.6	Very low	75 Å²	75	141.2 Å²	141.2	52%	0.524	67%	0.672	S	S	.	*	H	α-helix	trans	-70.6	-29.5	176.2	-52.6	0	0	0	0	113.2	Y55 L61	Y55-S57 PolarHBondContact O-N 3.07Å; Y55-S57 VanDerWaalsContact O-N 3.1Å; S57-L61 WeakPolarHBondContact O-CB 3.5Å; S57-L61 WeakPolarHBondContact O-CD1 3.33Å; S57-L61 PolarHBondContact O-N 2.99Å; S57-L61 VanDerWaalsContact O-N 3.16Å
58	V	58.5	Low	50.4	Low	81 Å²	81	139.2 Å²	139.2	49%	0.491	66%	0.659	S	S	.	*	H	α-helix	trans	-84.3	-43.1	179.4	-177.4	0	0	0	0	110.1	Y55 W56 F60 L61 L62	Y55-V58 PolarHBondContact O-N 3.02Å; W56-V58 VanDerWaalsContact C-N 3.34Å; V58-F60 VanDerWaalsContact C-N 3.32Å; V58-F60 PolarHBondContact O-N 3Å; V58-L61 PolarHBondContact O-N 3.41Å; V58-L62 HydrophobicContact CG1-CD1 3.89Å; V58-L62 WeakPolarHBondContact O-CB 3.49Å; V58-L62 PolarHBondContact O-N 3.38Å
59	E	56.5	Low	51.1	Low	129 Å²	129	135.1 Å²	135.1	60%	0.603	64%	0.641	S	S	*	*	H	α-helix	trans	-53.1	-49.1	169.3	-67.1	-71.8	131.6	0	0	110.9	Y55 L62 F63	Y55-E59 PolarHBondContact O-N 3.12Å; E59-L62 PolarHBondContact O-N 2.86Å; E59-F63 WeakPolarHBondContact O-CB 3.36Å; E59-F63 PolarHBondContact O-N 2.78Å
60	F	63.7	Low	51.4	Low	134 Å²	134	139.4 Å²	139.4	59%	0.588	64%	0.643	S	S	*	*	H	α-helix	trans	-70.2	-33.4	-179.4	-160.6	-98.3	0	0	0	113	W56 V58 L64	W56-F60 WeakPolarHBondContact O-CB 3.22Å; W56-F60 PolarHBondContact O-N 3Å; V58-F60 VanDerWaalsContact C-N 3.32Å; V58-F60 PolarHBondContact O-N 3Å; F60-L64 HydrophobicContact CD1-CD1 3.8Å; F60-L64 HydrophobicContact CE1-CD1 3.73Å; F60-L64 HydrophobicContact CE1-CG 4.45Å; F60-L64 WeakPolarHBondContact O-CB 3.27Å; F60-L64 PolarHBondContact O-N 2.98Å
61	L	60.7	Low	51.9	Low	119 Å²	119	132.2 Å²	132.2	62%	0.623	61%	0.606	S	S	*	*	H	α-helix	trans	-68.2	-40.4	170.8	-110.5	81.7	0	0	0	112	S57 V58 L64 L65	S57-L61 WeakPolarHBondContact O-CB 3.5Å; S57-L61 WeakPolarHBondContact O-CD1 3.33Å; S57-L61 PolarHBondContact O-N 2.99Å; S57-L61 VanDerWaalsContact O-N 3.16Å; V58-L61 PolarHBondContact O-N 3.41Å; L61-L64 PolarHBondContact O-N 3.29Å; L61-L65 WeakPolarHBondContact O-CB 3.49Å; L61-L65 PolarHBondContact O-N 3.34Å
62	L	60.2	Low	51.8	Low	98 Å²	98	121.8 Å²	121.8	51%	0.513	57%	0.567	S	S	.	*	H	α-helix	trans	-64.3	-41.2	173.8	-101.2	120.5	0	0	0	111.1	V58 E59 L64 L65 L66	V58-L62 HydrophobicContact CG1-CD1 3.89Å; V58-L62 WeakPolarHBondContact O-CB 3.49Å; V58-L62 PolarHBondContact O-N 3.38Å; E59-L62 PolarHBondContact O-N 2.86Å; L62-L64 VanDerWaalsContact C-N 3.33Å; L62-L64 PolarHBondContact O-N 3.46Å; L62-L65 CarbonylContact O-C 3.37Å; L62-L65 PolarHBondContact O-N 2.81Å; L62-L66 VanDerWaalsContact O-CB 3.32Å; L62-L66 WeakPolarHBondContact O-CB 3.39Å; L62-L66 WeakPolarHBondContact O-CD1 3.41Å; L62-L66 WeakPolarHBondContact O-CG 3.39Å; L62-L66 PolarHBondContact O-N 3.42Å
63	F	59.3	Low	52.5	Low	131 Å²	131	114.3 Å²	114.3	58%	0.575	53%	0.53	S	S	*	.	H	α-helix	trans	-60.9	-41.5	175.1	-165	-98.4	0	0	0	111.7	E59 L66 L67	E59-F63 WeakPolarHBondContact O-CB 3.36Å; E59-F63 PolarHBondContact O-N 2.78Å; F63-L66 PolarHBondContact O-N 2.82Å; F63-L67 HydrophobicContact CD1-CD1 4.06Å; F63-L67 HydrophobicContact CE1-CD1 4.01Å; F63-L67 WeakPolarHBondContact O-CG 3.32Å; F63-L67 PolarHBondContact O-N 3.37Å
64	L	59.4	Low	53	Low	93 Å²	93	102.6 Å²	102.6	49%	0.487	49%	0.486	S	S	.	.	H	α-helix	trans	-66.6	-38.9	171.5	-82.1	163.3	0	0	0	113.2	F60 L61 L62 L66 L67	F60-L64 HydrophobicContact CD1-CD1 3.8Å; F60-L64 HydrophobicContact CE1-CD1 3.73Å; F60-L64 HydrophobicContact CE1-CG 4.45Å; F60-L64 WeakPolarHBondContact O-CB 3.27Å; F60-L64 PolarHBondContact O-N 2.98Å; L61-L64 PolarHBondContact O-N 3.29Å; L62-L64 VanDerWaalsContact C-N 3.33Å; L62-L64 PolarHBondContact O-N 3.46Å; L64-L66 VanDerWaalsContact C-N 3.29Å; L64-L66 PolarHBondContact O-N 3.4Å; L64-L67 WeakPolarHBondContact O-CB 3.49Å; L64-L67 PolarHBondContact O-N 3Å; L64-L67 VanDerWaalsContact O-N 3.1Å
65	L	56.1	Low	54.8	Low	135 Å²	135	92.7 Å²	92.7	71%	0.707	45%	0.449	S	S	*	.	H	α-helix	trans	-68.7	-29.5	175.9	-139.3	80.5	0	0	0	112.2	L61 L62 L67 V68	L61-L65 WeakPolarHBondContact O-CB 3.49Å; L61-L65 PolarHBondContact O-N 3.34Å; L62-L65 CarbonylContact O-C 3.37Å; L62-L65 PolarHBondContact O-N 2.81Å; L65-L67 PolarHBondContact O-N 2.84Å; L65-V68 WeakPolarHBondContact O-CG2 3.39Å; L65-V68 PolarHBondContact O-N 2.8Å
66	L	56.5	Low	57.1	Low	84 Å²	84	84.7 Å²	84.7	44%	0.44	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-12.2	172.6	-71.7	165.3	0	0	0	112.5	L62 F63 L64 R272	L62-L66 VanDerWaalsContact O-CB 3.32Å; L62-L66 WeakPolarHBondContact O-CB 3.39Å; L62-L66 WeakPolarHBondContact O-CD1 3.41Å; L62-L66 WeakPolarHBondContact O-CG 3.39Å; L62-L66 PolarHBondContact O-N 3.42Å; F63-L66 PolarHBondContact O-N 2.82Å; L64-L66 VanDerWaalsContact C-N 3.29Å; L64-L66 PolarHBondContact O-N 3.4Å; L66-R272 PolarHBondContact O-NH1 3.17Å; L66-R272 PolarHBondContact O-NH2 3.27Å
67	L	52.5	Low	59.3	Low	99 Å²	99	74.5 Å²	74.5	52%	0.518	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	14	174.3	-71	168.2	0	0	0	113.5	F63 L64 L65 V69	F63-L67 HydrophobicContact CD1-CD1 4.06Å; F63-L67 HydrophobicContact CE1-CD1 4.01Å; F63-L67 WeakPolarHBondContact O-CG 3.32Å; F63-L67 PolarHBondContact O-N 3.37Å; L64-L67 WeakPolarHBondContact O-CB 3.49Å; L64-L67 PolarHBondContact O-N 3Å; L64-L67 VanDerWaalsContact O-N 3.1Å; L65-L67 PolarHBondContact O-N 2.84Å; L67-V69 VanDerWaalsContact C-N 3.31Å; L67-V69 WeakPolarHBondContact O-CG2 3.27Å; L67-V69 PolarHBondContact O-N 3.45Å
68	V	50.2	Low	60.8	Low	83 Å²	83	76.9 Å²	76.9	50%	0.503	38%	0.376	S	S	.	.			trans	-69	90.9	164.3	178.3	0	0	0	0	108.4	L65	L65-V68 WeakPolarHBondContact O-CG2 3.39Å; L65-V68 PolarHBondContact O-N 2.8Å
69	V	46.5	Very low	62.4	Low	85 Å²	85	77.9 Å²	77.9	52%	0.515	38%	0.375	S	S	.	.			trans	-74	128.1	-178.8	-149.3	0	0	0	0	109.4	L67 D206	L67-V69 VanDerWaalsContact C-N 3.31Å; L67-V69 WeakPolarHBondContact O-CG2 3.27Å; L67-V69 PolarHBondContact O-N 3.45Å; V69-D206 WeakPolarHBondContact CG1-OD2 3.16Å
70	R	44.8	Very low	64.2	Low	185 Å²	185	72.9 Å²	72.9	70%	0.698	36%	0.355	S	S	*	.			trans	-98.1	108.6	177.6	-75.1	-177.8	172.4	177.2	-2.7	110.1	I72 Q269	R70-I72 PolarHBondContact O-N 3.32Å; R70-Q269 PolarHBondContact O-NE2 3.28Å
71	D	45.9	Very low	65.6	Low	13 Å²	13	67.6 Å²	67.6	7%	0.07	34%	0.336	C	S	.	.			trans	10.4	91.9	156.8	-56.6	-29.8	0	0	0	116	Y156 K157 N159 K265 Q269	D71-Y156 HydrophobicContact CB-CE1 3.89Å; D71-Y156 VanDerWaalsContact OD1-CE1 3.27Å; D71-Y156 WeakPolarHBondContact OD1-CE1 3.43Å; D71-Y156 VanDerWaalsContact OD1-CZ 3.28Å; D71-Y156 PolarHBondContact OD1-OH 3.11Å; D71-K157 WeakPolarHBondContact OD1-CE 3.4Å; D71-K157 IonicContact OD1-NZ 2.8Å; D71-K157 PolarHBondContact OD1-NZ 2.84Å; D71-K157 WeakPolarHBondContact OD2-CE 3.36Å; D71-K157 IonicContact OD2-NZ 2.73Å; D71-K157 PolarHBondContact OD2-NZ 2.89Å; D71-N159 PolarHBondContact OD2-ND2 2.96Å; D71-K265 PolarHBondContact O-NZ 2.87Å; D71-Q269 PolarHBondContact O-NE2 3.5Å
72	I	38.1	Very low	67	Low	8 Å²	8	66.7 Å²	66.7	4%	0.041	34%	0.339	C	S	.	.			trans	-60.7	178.3	154.3	-68.8	163.4	0	0	0	108.5	R70 Y207 V225 A266	R70-I72 PolarHBondContact O-N 3.32Å; I72-Y207 HydrophobicContact CB-CD2 3.93Å; I72-Y207 HydrophobicContact CB-CE2 3.8Å; I72-Y207 HydrophobicContact CG2-CD2 3.96Å; I72-Y207 HydrophobicContact CG2-CE2 4.13Å; I72-Y207 WeakPolarHBondContact O-CE2 3.29Å; I72-Y207 PolarHBondContact O-OH 3.15Å; I72-V225 HydrophobicContact CD1-CG2 4.05Å; I72-A266 HydrophobicContact CG1-CB 4.27Å; I72-A266 HydrophobicContact CG2-CB 4.08Å
73	Q	50.2	Low	68.5	Low	10 Å²	10	67.1 Å²	67.1	5%	0.047	34%	0.339	C	S	.	.			trans	-129.9	116.1	164.8	-72.4	-171	10.6	0	0	110.5	E160 H262	Q73-E160 PolarHBondContact NE2-OE2 2.89Å; Q73-H262 PolarHBondContact OE1-CE1 3.37Å
74	A	56	Low	69.9	Low	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.328	C	S	.	.	S	Bend	trans	-165.1	-153.5	177.5	0	0	0	0	0	112	Y207 H228 M232 F474	A74-Y207 HydrophobicContact CB-CD1 4.02Å; A74-Y207 HydrophobicContact CB-CD2 4.16Å; A74-Y207 HydrophobicContact CB-CG 3.72Å; A74-Y207 VanDerWaalsContact N-CE1 3.33Å; A74-Y207 WeakPolarHBondContact O-CD1 3.49Å; A74-Y207 WeakPolarHBondContact O-CE1 3.42Å; A74-H228 WeakPolarHBondContact CB-NE2 3.4Å; A74-M232 HydrophobicContact CB-SD 3.92Å; A74-F474 CarbonylContact C-O 3.52Å; A74-F474 PolarHBondContact N-O 3.5Å; A74-F474 VanDerWaalsContact N-O 3.12Å; A74-F474 CarbonylContact O-C 3.58Å; A74-F474 WeakPolarHBondContact O-CB 3.3Å
75	Q	84.5	Confident	71.3	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.009	32%	0.324	C	S	.	.	S	Bend	trans	-60.6	-63.9	-158.1	-65.5	-176.1	-47.4	0	0	118.1	W138 F143 T209 V210 H228 M232 P472 F474	Q75-W138 HydrophobicContact CB-CH2 4.25Å; Q75-W138 HydrophobicContact CG-CH2 4.47Å; Q75-F143 WeakPolarHBondContact O-CZ 3.47Å; Q75-T209 VanDerWaalsContact OE1-CG2 3.31Å; Q75-V210 HydrophobicContact CB-CB 4.42Å; Q75-V210 HydrophobicContact CB-CG2 3.98Å; Q75-H228 PolarHBondContact N-NE2 3.41Å; Q75-M232 HydrophobicContact CG-CE 4.43Å; Q75-M232 HydrophobicContact CG-CG 4.1Å; Q75-M232 HydrophobicContact CG-SD 4.26Å; Q75-P472 HydrophobicContact CG-CB 4.4Å; Q75-P472 HydrophobicContact CG-CG 4.3Å; Q75-P472 WeakPolarHBondContact CG-O 3.23Å; Q75-P472 VanDerWaalsContact NE2-CG 3.31Å; Q75-F474 WeakPolarHBondContact O-CB 3.47Å
76	V	93.2	Very high	72.7	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	118.3	176.4	177.4	0	0	0	0	110.1	R78 A81 V90 V142 F143 Y207 L208 V210 L220	V76-R78 PolarHBondContact O-N 2.88Å; V76-A81 HydrophobicContact CG1-CB 3.76Å; V76-V90 HydrophobicContact CG1-CG1 4.48Å; V76-V142 HydrophobicContact CG2-CG1 3.65Å; V76-F143 HydrophobicContact CB-CZ 4.32Å; V76-F143 HydrophobicContact CG1-CE1 4.4Å; V76-F143 HydrophobicContact CG1-CZ 4.39Å; V76-F143 HydrophobicContact CG2-CE1 4.44Å; V76-F143 HydrophobicContact CG2-CE2 4.23Å; V76-F143 HydrophobicContact CG2-CZ 3.78Å; V76-Y207 VanDerWaalsContact C-CD1 3.43Å; V76-Y207 CarbonylContact O-C 3.6Å; V76-Y207 VanDerWaalsContact O-CA 3.26Å; V76-Y207 WeakPolarHBondContact O-CA 3.37Å; V76-L208 HydrophobicContact CB-CB 4.45Å; V76-L208 PolarHBondContact N-O 2.96Å; V76-L208 PolarHBondContact O-N 2.93Å; V76-V210 HydrophobicContact CG2-CG2 3.57Å; V76-L220 HydrophobicContact CB-CD2 4.41Å; V76-L220 HydrophobicContact CG1-CD1 4.24Å; V76-L220 HydrophobicContact CG2-CD2 3.97Å
77	P	93.7	Very high	74	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	135.6	178.4	-19.3	28.4	0	0	0	111.6	E79 C80 A81 Y156 Y207 F474	P77-E79 PolarHBondContact O-N 3.46Å; P77-C80 HydrophobicContact CB-CB 4.38Å; P77-C80 WeakPolarHBondContact O-CA 3.07Å; P77-C80 WeakPolarHBondContact O-CB 3.28Å; P77-C80 PolarHBondContact O-N 3.27Å; P77-A81 PolarHBondContact O-N 2.85Å; P77-Y156 HydrophobicContact CB-CD1 4.38Å; P77-Y156 HydrophobicContact CB-CD2 3.71Å; P77-Y156 HydrophobicContact CB-CE1 4.25Å; P77-Y156 HydrophobicContact CB-CE2 3.53Å; P77-Y156 HydrophobicContact CB-CG 4.13Å; P77-Y156 HydrophobicContact CG-CD1 3.99Å; P77-Y156 HydrophobicContact CG-CD2 3.43Å; P77-Y156 VanDerWaalsContact CG-CD2 3.43Å; P77-Y156 HydrophobicContact CG-CE1 4.35Å; P77-Y156 HydrophobicContact CG-CE2 3.83Å; P77-Y156 HydrophobicContact CG-CG 3.51Å; P77-Y207 HydrophobicContact CB-CD1 4.49Å; P77-Y207 HydrophobicContact CB-CE1 4.05Å; P77-Y207 HydrophobicContact CG-CD1 4.24Å; P77-Y207 HydrophobicContact CG-CE1 3.57Å; P77-F474 HydrophobicContact CG-CD1 4.12Å; P77-F474 HydrophobicContact CG-CE1 3.81Å
78	R	91.2	Very high	75.7	Confident	126 Å²	126	63 Å²	63	48%	0.475	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-18.1	174.4	-178	173.3	59.1	117	-2.2	113.4	V76 C80 D206	V76-R78 PolarHBondContact O-N 2.88Å; R78-C80 VanDerWaalsContact C-N 3.34Å; R78-D206 WeakPolarHBondContact CB-O 3.44Å; R78-D206 IonicContact CZ-OD1 3.8Å; R78-D206 PolarHBondContact N-O 3.32Å; R78-D206 IonicContact NE-OD1 2.67Å; R78-D206 IonicContact NH2-OD1 2.95Å; R78-D206 PolarHBondContact NH2-OD1 3.32Å
79	E	91.4	Very high	77.7	Confident	101 Å²	101	61.8 Å²	61.8	47%	0.472	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-26.7	168.6	-169.4	177.9	-178.5	0	0	112.5	P77 P94 Y156 K157	P77-E79 PolarHBondContact O-N 3.46Å; E79-P94 HydrophobicContact CG-CB 4.31Å; E79-P94 HydrophobicContact CG-CG 4.5Å; E79-P94 WeakPolarHBondContact OE1-CB 3.24Å; E79-Y156 HydrophobicContact CB-CE2 4.18Å; E79-Y156 WeakPolarHBondContact OE2-CE2 3.36Å; E79-Y156 PolarHBondContact OE2-OH 2.85Å; E79-Y156 VanDerWaalsContact OE2-OH 3.05Å; E79-K157 IonicContact OE2-NZ 3.98Å; E79-K157 PolarHBondContact OE2-NZ 3.39Å
80	C	93.9	Very high	79.9	Confident	25 Å²	25	58.2 Å²	58.2	17%	0.169	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-19.4	-175.6	-67.2	0	0	0	0	114.6	P77 R78 V90 C92	P77-C80 HydrophobicContact CB-CB 4.38Å; P77-C80 WeakPolarHBondContact O-CA 3.07Å; P77-C80 WeakPolarHBondContact O-CB 3.28Å; P77-C80 PolarHBondContact O-N 3.27Å; R78-C80 VanDerWaalsContact C-N 3.34Å; C80-V90 HydrophobicContact CB-CG1 3.99Å; C80-V90 WeakPolarHBondContact O-CG1 3.37Å; C80-C92 HydrophobicContact CB-CB 3.59Å; C80-C92 WeakPolarHBondContact CB-SG 3.46Å; C80-C92 WeakPolarHBondContact SG-CA 3.44Å; C80-C92 WeakPolarHBondContact SG-CB 3.42Å; C80-C92 CovalentContact SG-SG 2.04Å; C80-C92 PolarHBondContact SG-SG 3.31Å
81	A	92.9	Very high	82.3	Confident	23 Å²	23	55.2 Å²	55.2	19%	0.19	28%	0.283	C	S	.	.			trans	-154	158.9	-177.3	0	0	0	0	0	112.8	V76 P77 V90 L208 L220	V76-A81 HydrophobicContact CG1-CB 3.76Å; P77-A81 PolarHBondContact O-N 2.85Å; A81-V90 HydrophobicContact CB-CG1 4.17Å; A81-V90 HydrophobicContact CB-CG2 4.28Å; A81-L208 HydrophobicContact CB-CD1 4.31Å; A81-L208 VanDerWaalsContact O-CD1 3.23Å; A81-L208 WeakPolarHBondContact O-CD1 3.34Å; A81-L220 HydrophobicContact CB-CD1 3.62Å
82	S	91.3	Very high	84.7	Confident	99 Å²	99	54.6 Å²	54.6	69%	0.692	28%	0.279	S	S	*	.			trans	-99.7	164.5	169.1	63	0	0	0	0	111.7	L208	S82-L208 WeakPolarHBondContact O-CD1 3.33Å
83	E	91.4	Very high	87.5	Confident	108 Å²	108	54.7 Å²	54.7	51%	0.505	28%	0.281	S	S	.	.	S	Bend	trans	-61.6	152.1	169.6	-65.1	-169.8	-101.9	0	0	112.2	L208 L220 K221 Q222	E83-L208 HydrophobicContact CG-CD1 4.41Å; E83-L208 HydrophobicContact CG-CD2 3.83Å; E83-L220 CarbonylContact C-O 3.59Å; E83-L220 VanDerWaalsContact CA-O 3.3Å; E83-L220 WeakPolarHBondContact CA-O 3.23Å; E83-K221 WeakPolarHBondContact OE2-CA 3.13Å; E83-Q222 VanDerWaalsContact CD-N 3.25Å; E83-Q222 HydrophobicContact CG-CB 4.1Å; E83-Q222 WeakPolarHBondContact OE1-CB 3.3Å; E83-Q222 WeakPolarHBondContact OE2-CB 3.16Å; E83-Q222 PolarHBondContact OE2-N 3.35Å
84	G	89	Confident	89.7	Confident	33 Å²	33	54.9 Å²	54.9	34%	0.34	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	130.1	-170.5	178.1	0	0	0	0	0	113.6	E219 L220	G84-E219 WeakPolarHBondContact O-CA 3.3Å; G84-L220 PolarHBondContact N-O 3.3Å; G84-L220 PolarHBondContact O-N 3.25Å
85	I	86.9	Confident	91.6	Very high	81 Å²	81	59 Å²	59	42%	0.415	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	129.3	178.5	-61.9	175.2	0	0	0	109.6	H87	I85-H87 PolarHBondContact O-CD2 2.82Å; I85-H87 VanDerWaalsContact O-CD2 3.31Å; I85-H87 PolarHBondContact O-N 3.48Å; I85-H87 VanDerWaalsContact O-N 3.13Å
86	L	87	Confident	92.1	Very high	36 Å²	36	59.2 Å²	59.2	19%	0.188	31%	0.305	C	S	.	.			trans	-76.4	99.5	-178	-170.1	68.8	0	0	0	110.9	N88 V90 V142 I218 L220	L86-N88 WeakPolarHBondContact CD1-O 3.35Å; L86-N88 VanDerWaalsContact CG-O 3.3Å; L86-N88 WeakPolarHBondContact CG-O 3.39Å; L86-V90 HydrophobicContact CD1-CG2 3.53Å; L86-V90 HydrophobicContact CD2-CG2 4.29Å; L86-V142 HydrophobicContact CD2-CG1 4.24Å; L86-I218 HydrophobicContact CB-CB 4.13Å; L86-I218 HydrophobicContact CB-CG2 4.5Å; L86-I218 WeakPolarHBondContact CB-O 3.29Å; L86-I218 HydrophobicContact CD2-CB 4.37Å; L86-I218 HydrophobicContact CD2-CD1 4.39Å; L86-I218 HydrophobicContact CD2-CG2 4.47Å; L86-I218 PolarHBondContact N-O 3.45Å; L86-L220 HydrophobicContact CD1-CD1 4.22Å
87	H	83.9	Confident	92	Very high	166 Å²	166	67.2 Å²	67.2	77%	0.769	34%	0.343	S	S	*	.			trans	-77.3	-34.6	177.7	-64.3	-68.7	0	0	0	113.6	I85	I85-H87 PolarHBondContact O-CD2 2.82Å; I85-H87 VanDerWaalsContact O-CD2 3.31Å; I85-H87 PolarHBondContact O-N 3.48Å; I85-H87 VanDerWaalsContact O-N 3.13Å
88	N	88	Confident	91.9	Very high	138 Å²	138	71.4 Å²	71.4	74%	0.738	39%	0.386	S	S	*	.	S	Bend	trans	-134.9	154.3	-179.1	-69.7	-48.4	0	0	0	110	L86 V90	L86-N88 WeakPolarHBondContact CD1-O 3.35Å; L86-N88 VanDerWaalsContact CG-O 3.3Å; L86-N88 WeakPolarHBondContact CG-O 3.39Å; N88-V90 PolarHBondContact O-N 3.42Å
89	R	91.2	Very high	92.1	Very high	58 Å²	58	69.2 Å²	69.2	22%	0.219	38%	0.38	C	S	.	.			trans	-63.8	131.1	179.6	-63.8	-161.2	-62.7	167.4	3	112.3	F91 L114 E115 N140 V142 F143 S144	R89-F91 PolarHBondContact O-N 3.46Å; R89-L114 PolarHBondContact NH2-O 3.44Å; R89-E115 PolarHBondContact NH1-O 3.03Å; R89-N140 WeakPolarHBondContact CD-O 3.25Å; R89-N140 PolarHBondContact NH1-O 3.04Å; R89-V142 CarbonylContact C-O 3.5Å; R89-V142 VanDerWaalsContact CA-O 3.23Å; R89-V142 WeakPolarHBondContact CA-O 3.41Å; R89-F143 WeakPolarHBondContact CD-O 3.29Å; R89-F143 PolarHBondContact NH1-O 3.47Å; R89-S144 PolarHBondContact O-OG 2.83Å
90	V	93.4	Very high	92.3	Very high	10 Å²	10	70.7 Å²	70.7	6%	0.061	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	125.8	-176.6	-175.3	0	0	0	0	111.9	V76 C80 A81 L86 N88 C92 V142 F143 S144 L220	V76-V90 HydrophobicContact CG1-CG1 4.48Å; C80-V90 HydrophobicContact CB-CG1 3.99Å; C80-V90 WeakPolarHBondContact O-CG1 3.37Å; A81-V90 HydrophobicContact CB-CG1 4.17Å; A81-V90 HydrophobicContact CB-CG2 4.28Å; L86-V90 HydrophobicContact CD1-CG2 3.53Å; L86-V90 HydrophobicContact CD2-CG2 4.29Å; N88-V90 PolarHBondContact O-N 3.42Å; V90-C92 HydrophobicContact CG1-CB 4.25Å; V90-V142 HydrophobicContact CG2-CG1 4.08Å; V90-V142 PolarHBondContact N-O 3.27Å; V90-F143 HydrophobicContact CB-CD1 3.85Å; V90-F143 HydrophobicContact CB-CE1 4.25Å; V90-F143 HydrophobicContact CG1-CD1 4.06Å; V90-F143 HydrophobicContact CG1-CE1 4.13Å; V90-F143 CarbonylContact O-C 3.44Å; V90-F143 VanDerWaalsContact O-CA 3.26Å; V90-F143 WeakPolarHBondContact O-CA 3.44Å; V90-S144 VanDerWaalsContact C-OG 3.24Å; V90-S144 PolarHBondContact O-N 3.44Å; V90-S144 PolarHBondContact O-OG 2.9Å; V90-S144 VanDerWaalsContact O-OG 3.11Å; V90-L220 HydrophobicContact CG2-CD1 4.41Å
91	F	95.9	Very high	92.3	Very high	122 Å²	122	74.1 Å²	74.1	54%	0.535	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	114.7	166.6	179	-85	0	0	0	108.5	R89 C93 S144	R89-F91 PolarHBondContact O-N 3.46Å; F91-C93 HydrophobicContact CE1-CB 3.79Å; F91-C93 HydrophobicContact CZ-CB 3.89Å; F91-S144 WeakPolarHBondContact CA-OG 3.19Å; F91-S144 PolarHBondContact N-OG 2.78Å
92	C	96	Very high	92.5	Very high	0 Å²	0	75.7 Å²	75.7	0%	0	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	74.8	-174	-168.4	0	0	0	0	111.7	C80 V90 F143 S145 V146 C147	C80-C92 HydrophobicContact CB-CB 3.59Å; C80-C92 WeakPolarHBondContact CB-SG 3.46Å; C80-C92 WeakPolarHBondContact SG-CA 3.44Å; C80-C92 WeakPolarHBondContact SG-CB 3.42Å; C80-C92 CovalentContact SG-SG 2.04Å; C80-C92 PolarHBondContact SG-SG 3.31Å; V90-C92 HydrophobicContact CG1-CB 4.25Å; C92-F143 HydrophobicContact CB-CD1 3.62Å; C92-F143 HydrophobicContact CB-CE1 3.57Å; C92-S145 PolarHBondContact N-O 3.41Å; C92-V146 WeakPolarHBondContact O-CA 3.3Å; C92-C147 PolarHBondContact O-N 3.22Å
93	C	96.9	Very high	92.7	Very high	11 Å²	11	71 Å²	71	7%	0.074	38%	0.384	C	S	.	.			trans	-129.5	74.5	173.4	-62.8	0	0	0	0	111.1	F91 P102 C111 V146	F91-C93 HydrophobicContact CE1-CB 3.79Å; F91-C93 HydrophobicContact CZ-CB 3.89Å; C93-P102 HydrophobicContact CB-CB 4.17Å; C93-P102 WeakPolarHBondContact O-CB 3.4Å; C93-C111 HydrophobicContact CB-CB 3.57Å; C93-C111 WeakPolarHBondContact CB-SG 3.45Å; C93-C111 VanDerWaalsContact SG-CA 3.5Å; C93-C111 WeakPolarHBondContact SG-CB 3.38Å; C93-C111 CovalentContact SG-SG 2.03Å; C93-C111 PolarHBondContact SG-SG 3.43Å; C93-V146 VanDerWaalsContact SG-C 3.52Å
94	P	96.1	Very high	92.9	Very high	14 Å²	14	66 Å²	66	9%	0.091	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-72	165.4	-177.6	-7	22.4	0	0	0	112.8	E79 P102 C103 Y156 K157	E79-P94 HydrophobicContact CG-CB 4.31Å; E79-P94 HydrophobicContact CG-CG 4.5Å; E79-P94 WeakPolarHBondContact OE1-CB 3.24Å; P94-P102 WeakPolarHBondContact O-CA 3.27Å; P94-C103 PolarHBondContact O-N 2.82Å; P94-Y156 HydrophobicContact CG-CD2 3.65Å; P94-Y156 HydrophobicContact CG-CE2 3.71Å; P94-K157 HydrophobicContact CB-CB 4.02Å; P94-K157 HydrophobicContact CB-CD 4.08Å; P94-K157 HydrophobicContact CG-CB 4.03Å; P94-K157 HydrophobicContact CG-CD 4.37Å
95	I	96.5	Very high	93.2	Very high	87 Å²	87	64.6 Å²	64.6	45%	0.446	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-99.4	117.6	174.1	-57.3	178.7	0	0	0	107.8	F99 P102	I95-F99 HydrophobicContact CG2-CB 4.29Å; I95-F99 WeakPolarHBondContact CG2-O 3.43Å; I95-P102 HydrophobicContact CG1-CB 4.46Å
96	P	93.5	Very high	93.5	Very high	5 Å²	5	65.3 Å²	65.3	3%	0.032	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-59.1	152	175.8	-28.3	37.5	0	0	0	114	G98 F99 G104 K157 N159	P96-G98 PolarHBondContact O-N 3.39Å; P96-F99 HydrophobicContact CB-CB 4.3Å; P96-F99 HydrophobicContact CB-CD2 3.73Å; P96-F99 HydrophobicContact CB-CE2 4.49Å; P96-F99 HydrophobicContact CB-CG 4.22Å; P96-F99 HydrophobicContact CG-CD2 4.49Å; P96-F99 WeakPolarHBondContact O-CB 3.46Å; P96-F99 PolarHBondContact O-N 2.79Å; P96-G104 VanDerWaalsContact CD-N 3.31Å; P96-K157 HydrophobicContact CG-CB 3.97Å; P96-K157 HydrophobicContact CG-CG 4.11Å; P96-K157 WeakPolarHBondContact CG-O 3.34Å; P96-N159 HydrophobicContact CB-CB 4.1Å; P96-N159 HydrophobicContact CG-CB 4.31Å
97	E	91.6	Very high	93.8	Very high	169 Å²	169	67.4 Å²	67.4	79%	0.79	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	126.7	170.7	-62.5	-173.7	161.7	0	0	111.1	F99	E97-F99 WeakPolarHBondContact O-CD2 3.25Å
98	G	92.6	Very high	94.3	Very high	87 Å²	87	60.6 Å²	60.6	90%	0.897	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	0.6	-177.1	0	0	0	0	0	115.7	P96	P96-G98 PolarHBondContact O-N 3.39Å
99	F	94.3	Very high	94.7	Very high	81 Å²	81	54 Å²	54	36%	0.355	31%	0.313	S	S	.	.			trans	-110.8	160.1	176.9	-68.8	-100.8	0	0	0	111.4	I95 P96 E97 G104	I95-F99 HydrophobicContact CG2-CB 4.29Å; I95-F99 WeakPolarHBondContact CG2-O 3.43Å; P96-F99 HydrophobicContact CB-CB 4.3Å; P96-F99 HydrophobicContact CB-CD2 3.73Å; P96-F99 HydrophobicContact CB-CE2 4.49Å; P96-F99 HydrophobicContact CB-CG 4.22Å; P96-F99 HydrophobicContact CG-CD2 4.49Å; P96-F99 WeakPolarHBondContact O-CB 3.46Å; P96-F99 PolarHBondContact O-N 2.79Å; E97-F99 WeakPolarHBondContact O-CD2 3.25Å; F99-G104 VanDerWaalsContact CD1-O 3.27Å; F99-G104 WeakPolarHBondContact CD1-O 3.45Å
100	T	95	Very high	95	Very high	131 Å²	131	58 Å²	58	80%	0.804	33%	0.332	S	S	*	.	S	Bend	trans	-110.9	-5.2	177.5	54.1	0	0	0	0	113.3
101	E	95.8	Very high	95.2	Very high	98 Å²	98	59 Å²	59	46%	0.458	34%	0.339	S	S	.	.	S	Bend	trans	-124.4	145.9	-175.3	-68	-170.5	123.4	0	0	111	G104 G105 P106	E101-G104 PolarHBondContact O-N 3.35Å; E101-G105 VanDerWaalsContact OE2-CA 3.26Å; E101-G105 WeakPolarHBondContact OE2-CA 3.49Å; E101-P106 WeakPolarHBondContact OE2-CD 3.25Å
102	P	96	Very high	95.2	Very high	55 Å²	55	57.9 Å²	57.9	36%	0.357	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-60.8	147.7	177.7	27	-35.3	0	0	0	110.9	C93 P94 I95 G104 G105	C93-P102 HydrophobicContact CB-CB 4.17Å; C93-P102 WeakPolarHBondContact O-CB 3.4Å; P94-P102 WeakPolarHBondContact O-CA 3.27Å; I95-P102 HydrophobicContact CG1-CB 4.46Å; P102-G104 PolarHBondContact O-N 2.83Å; P102-G105 PolarHBondContact O-N 3.32Å
103	C	96.4	Very high	95.2	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	59.7	22.3	-177.9	-42	0	0	0	0	114.1	P94 G105 R108 G109 K110 C111 C147 K157 C158	P94-C103 PolarHBondContact O-N 2.82Å; C103-G105 VanDerWaalsContact C-N 3.31Å; C103-G105 PolarHBondContact O-N 2.95Å; C103-R108 WeakPolarHBondContact O-CB 3.31Å; C103-G109 PolarHBondContact O-N 3.04Å; C103-K110 VanDerWaalsContact SG-C 3.55Å; C103-C111 PolarHBondContact SG-N 3.46Å; C103-C147 WeakPolarHBondContact CA-SG 3.34Å; C103-C147 HydrophobicContact CB-CB 3.69Å; C103-C147 WeakPolarHBondContact CB-SG 3.47Å; C103-C147 WeakPolarHBondContact SG-CA 3.46Å; C103-C147 WeakPolarHBondContact SG-CB 3.23Å; C103-C147 CovalentContact SG-SG 2.03Å; C103-C147 PolarHBondContact SG-SG 2.69Å; C103-K157 CarbonylContact C-O 3.58Å; C103-K157 VanDerWaalsContact C-O 3.29Å; C103-K157 WeakPolarHBondContact CA-O 3.07Å; C103-C158 WeakPolarHBondContact O-CB 3.36Å
104	G	95.2	Very high	95	Very high	3 Å²	3	62.9 Å²	62.9	3%	0.031	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	74.9	16.3	-179.3	0	0	0	0	0	114.6	P96 F99 E101 P102	P96-G104 VanDerWaalsContact CD-N 3.31Å; F99-G104 VanDerWaalsContact CD1-O 3.27Å; F99-G104 WeakPolarHBondContact CD1-O 3.45Å; E101-G104 PolarHBondContact O-N 3.35Å; P102-G104 PolarHBondContact O-N 2.83Å
105	G	94.7	Very high	94.6	Very high	5 Å²	5	69.7 Å²	69.7	5%	0.052	40%	0.397	C	S	.	.			trans	69.8	177.1	-176.7	0	0	0	0	0	113.6	E101 P102 C103 A107 R108 G109	E101-G105 VanDerWaalsContact OE2-CA 3.26Å; E101-G105 WeakPolarHBondContact OE2-CA 3.49Å; P102-G105 PolarHBondContact O-N 3.32Å; C103-G105 VanDerWaalsContact C-N 3.31Å; C103-G105 PolarHBondContact O-N 2.95Å; G105-A107 PolarHBondContact O-N 3.3Å; G105-R108 PolarHBondContact O-N 2.86Å; G105-G109 CarbonylContact C-O 3.45Å; G105-G109 PolarHBondContact O-N 2.85Å
106	P	93.9	Very high	93.8	Very high	96 Å²	96	73.3 Å²	73.3	62%	0.623	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-17	-170.5	25.8	-34.4	0	0	0	114.2	E101 R108 G109 H150	E101-P106 WeakPolarHBondContact OE2-CD 3.25Å; P106-R108 VanDerWaalsContact C-N 3.32Å; P106-G109 WeakPolarHBondContact CA-O 3.28Å; P106-H150 PolarHBondContact O-CE1 3.31Å; P106-H150 PolarHBondContact O-ND1 2.88Å
107	A	92.8	Very high	92.7	Very high	80 Å²	80	74.9 Å²	74.9	66%	0.661	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-26.2	172.5	0	0	0	0	0	113.6	G105 F153	G105-A107 PolarHBondContact O-N 3.3Å; A107-F153 WeakPolarHBondContact O-CE2 3.21Å
108	R	95.4	Very high	91.3	Very high	22 Å²	22	71.3 Å²	71.3	8%	0.083	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115	-32.2	-177.7	-76.3	178	170.8	-89.7	-5.7	114.1	C103 G105 P106 C149 H150 F153 C158 N159 P168	C103-R108 WeakPolarHBondContact O-CB 3.31Å; G105-R108 PolarHBondContact O-N 2.86Å; P106-R108 VanDerWaalsContact C-N 3.32Å; R108-C149 WeakPolarHBondContact O-CA 3.33Å; R108-H150 PolarHBondContact O-N 3.46Å; R108-F153 HydrophobicContact CB-CD2 4.2Å; R108-F153 HydrophobicContact CB-CG 4.35Å; R108-F153 HydrophobicContact CG-CD1 4.17Å; R108-F153 HydrophobicContact CG-CD2 4.01Å; R108-F153 HydrophobicContact CG-CE1 4.11Å; R108-F153 HydrophobicContact CG-CE2 3.93Å; R108-F153 HydrophobicContact CG-CG 4.13Å; R108-F153 HydrophobicContact CG-CZ 3.99Å; R108-F153 VanDerWaalsContact NH1-CD1 3.29Å; R108-F153 VanDerWaalsContact NH1-CE1 3.3Å; R108-C158 HydrophobicContact CB-CB 4Å; R108-C158 WeakPolarHBondContact CD-O 3.49Å; R108-C158 PolarHBondContact NH1-O 3.29Å; R108-N159 PolarHBondContact NH1-O 2.93Å; R108-P168 PolarHBondContact NH2-O 2.88Å
109	G	96.3	Very high	89.5	Confident	1 Å²	1	72.4 Å²	72.4	1%	0.01	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.3	-163.3	-177.6	0	0	0	0	0	113.1	C103 G105 P106 V148	C103-G109 PolarHBondContact O-N 3.04Å; G105-G109 CarbonylContact C-O 3.45Å; G105-G109 PolarHBondContact O-N 2.85Å; P106-G109 WeakPolarHBondContact CA-O 3.28Å; G109-V148 CarbonylContact C-O 2.84Å; G109-V148 WeakPolarHBondContact CA-O 3.45Å
110	K	96.7	Very high	87.4	Confident	142 Å²	142	73.9 Å²	73.9	62%	0.617	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.3	141.9	176.8	-171	177.8	176.1	179.8	0	110.6	C103 H112 V148	C103-K110 VanDerWaalsContact SG-C 3.55Å; K110-H112 PolarHBondContact O-N 3.16Å; K110-V148 PolarHBondContact N-O 2.71Å; K110-V148 PolarHBondContact O-N 3.3Å
111	C	97.2	Very high	85.2	Confident	30 Å²	30	72.8 Å²	72.8	20%	0.203	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	122.8	167.3	-174.9	0	0	0	0	109.6	C93 C103	C93-C111 HydrophobicContact CB-CB 3.57Å; C93-C111 WeakPolarHBondContact CB-SG 3.45Å; C93-C111 VanDerWaalsContact SG-CA 3.5Å; C93-C111 WeakPolarHBondContact SG-CB 3.38Å; C93-C111 CovalentContact SG-SG 2.03Å; C93-C111 PolarHBondContact SG-SG 3.43Å; C103-C111 PolarHBondContact SG-N 3.46Å
112	H	95.7	Very high	83	Confident	99 Å²	99	71.2 Å²	71.2	46%	0.458	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126.5	-176.2	-167.7	81.6	0	0	0	110.2	K110 S145 V146 V148	K110-H112 PolarHBondContact O-N 3.16Å; H112-S145 CarbonylContact O-C 3.35Å; H112-S145 VanDerWaalsContact O-CA 3.22Å; H112-S145 WeakPolarHBondContact O-CA 3.43Å; H112-V146 PolarHBondContact N-O 3.3Å; H112-V146 PolarHBondContact O-N 2.93Å; H112-V148 HydrophobicContact CB-CB 4.37Å; H112-V148 HydrophobicContact CB-CG2 3.61Å
113	P	96.4	Very high	80.3	Confident	88 Å²	88	71 Å²	71	57%	0.571	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	137.6	172.8	31.1	-33.6	0	0	0	110.2
114	L	93.2	Very high	77.9	Confident	27 Å²	27	79 Å²	79	14%	0.141	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-93.6	137.5	177.7	-66.9	177.9	0	0	0	111.1	R89 P139 F143 S144 V146	R89-L114 PolarHBondContact NH2-O 3.44Å; L114-P139 HydrophobicContact CD1-CG 3.98Å; L114-F143 HydrophobicContact CD1-CB 3.72Å; L114-S144 PolarHBondContact N-O 3.24Å; L114-V146 HydrophobicContact CD1-CG1 3.72Å; L114-V146 HydrophobicContact CD1-CG2 4.06Å; L114-V146 HydrophobicContact CD2-CG2 3.91Å; L114-V146 HydrophobicContact CG-CG1 4.42Å; L114-V146 HydrophobicContact CG-CG2 4.04Å
115	E	88	Confident	75.3	Confident	158 Å²	158	84.9 Å²	84.9	74%	0.738	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-49.1	139.7	178.9	-172.8	174	-169.8	0	0	112.2	R89 I117 N140	R89-E115 PolarHBondContact NH1-O 3.03Å; E115-I117 PolarHBondContact O-N 3.24Å; E115-N140 PolarHBondContact O-ND2 3.33Å
116	E	78.9	Confident	72.8	Confident	162 Å²	162	88.6 Å²	88.6	76%	0.757	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-77.3	120.4	177.9	-75.3	-170.2	175.7	0	0	111.2	N118	E116-N118 PolarHBondContact O-N 2.93Å; E116-N118 VanDerWaalsContact O-N 3.16Å
117	I	70.1	Confident	70.4	Confident	39 Å²	39	91.5 Å²	91.5	20%	0.2	51%	0.512	C	S	.	.			trans	-67.9	115.2	173.4	-61	153.6	0	0	0	108.6	E115 R119 E137 N140 S141	E115-I117 PolarHBondContact O-N 3.24Å; I117-R119 HydrophobicContact CB-CG 4.41Å; I117-R119 HydrophobicContact CG2-CG 3.86Å; I117-R119 PolarHBondContact O-N 2.92Å; I117-E137 HydrophobicContact CD1-CB 3.31Å; I117-E137 HydrophobicContact CD1-CG 3.88Å; I117-E137 HydrophobicContact CG1-CB 3.82Å; I117-E137 HydrophobicContact CG1-CG 4.07Å; I117-E137 HydrophobicContact CG2-CG 3.95Å; I117-N140 HydrophobicContact CD1-CB 3.92Å; I117-N140 WeakPolarHBondContact CD1-O 3.08Å; I117-N140 HydrophobicContact CG1-CB 4.08Å; I117-S141 VanDerWaalsContact CD1-CA 3.4Å; I117-S141 VanDerWaalsContact CD1-N 3.32Å
118	N	62	Low	68.3	Low	94 Å²	94	90.4 Å²	90.4	50%	0.503	50%	0.503	S	S	.	.			trans	-70.1	82.5	169.1	-172.1	-11.8	0	0	0	110.5	E116 N120 T121	E116-N118 PolarHBondContact O-N 2.93Å; E116-N118 VanDerWaalsContact O-N 3.16Å; N118-N120 PolarHBondContact O-N 3.49Å; N118-N120 WeakPolarHBondContact OD1-CB 3.36Å; N118-N120 PolarHBondContact OD1-N 2.94Å; N118-T121 HydrophobicContact CB-CG2 4.5Å; N118-T121 PolarHBondContact O-N 2.72Å; N118-T121 PolarHBondContact O-OG1 3.33Å
119	R	56.4	Low	66.2	Low	109 Å²	109	91.7 Å²	91.7	41%	0.411	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-4.1	179.4	-66.6	-179.5	177.2	176	-1.1	114	I117 S141	I117-R119 HydrophobicContact CB-CG 4.41Å; I117-R119 HydrophobicContact CG2-CG 3.86Å; I117-R119 PolarHBondContact O-N 2.92Å; R119-S141 PolarHBondContact NH2-O 3.3Å
120	N	48.8	Very low	64.7	Low	112 Å²	112	97.4 Å²	97.4	60%	0.599	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-13.8	-178	-61	-32.4	0	0	0	113.9	N118 V122	N118-N120 PolarHBondContact O-N 3.49Å; N118-N120 WeakPolarHBondContact OD1-CB 3.36Å; N118-N120 PolarHBondContact OD1-N 2.94Å; N120-V122 VanDerWaalsContact C-N 3.33Å
121	T	48.4	Very low	63.3	Low	108 Å²	108	90.7 Å²	90.7	66%	0.663	51%	0.506	S	S	*	.	S	Bend	trans	-78.2	-17.6	174.6	51.6	0	0	0	0	113	N118 G123	N118-T121 HydrophobicContact CB-CG2 4.5Å; N118-T121 PolarHBondContact O-N 2.72Å; N118-T121 PolarHBondContact O-OG1 3.33Å; T121-G123 PolarHBondContact O-N 3.37Å; T121-G123 VanDerWaalsContact O-N 3.07Å
122	V	49.8	Very low	61.9	Low	65 Å²	65	92.5 Å²	92.5	39%	0.394	51%	0.514	S	S	.	.	S	Bend	trans	-70.4	102.5	167.5	-175.9	0	0	0	0	107.9	N120 Q124 T133	N120-V122 VanDerWaalsContact C-N 3.33Å; V122-Q124 PolarHBondContact O-N 2.88Å; V122-T133 HydrophobicContact CG2-CG2 4.08Å
123	G	41	Very low	60.8	Low	52 Å²	52	88.6 Å²	88.6	54%	0.536	50%	0.497	S	S	.	.			trans	-48.9	131	-162.7	0	0	0	0	0	115.1	T121 S125	T121-G123 PolarHBondContact O-N 3.37Å; T121-G123 VanDerWaalsContact O-N 3.07Å; G123-S125 PolarHBondContact O-N 3.45Å
124	Q	44.7	Very low	60.1	Low	168 Å²	168	84.6 Å²	84.6	79%	0.785	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	8.3	-174.8	-59.7	-179.5	-5.5	0	0	114.9	V122	V122-Q124 PolarHBondContact O-N 2.88Å
125	S	41	Very low	59.7	Low	126 Å²	126	83.5 Å²	83.5	88%	0.881	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-0.3	-175.5	-167.2	0	0	0	0	114.3	G123	G123-S125 PolarHBondContact O-N 3.45Å
126	S	41.4	Very low	59.5	Low	83 Å²	83	77.2 Å²	77.2	58%	0.58	44%	0.439	S	S	*	.			trans	-108.3	126.4	-172.7	-168	0	0	0	0	112.5	A128	S126-A128 PolarHBondContact O-N 3.01Å; S126-A128 WeakPolarHBondContact OG-CB 3.25Å; S126-A128 PolarHBondContact OG-N 3.3Å; S126-A128 VanDerWaalsContact OG-N 3.14Å
127	T	44.7	Very low	59.8	Low	156 Å²	156	71.4 Å²	71.4	96%	0.957	41%	0.412	S	S	*	.			trans	-79.3	3.2	165.6	47.1	0	0	0	0	112.7
128	A	47.3	Very low	60.8	Low	58 Å²	58	70 Å²	70	48%	0.479	40%	0.404	S	S	.	.	S	Bend	trans	-71.9	144.3	176.9	0	0	0	0	0	111.8	S126	S126-A128 PolarHBondContact O-N 3.01Å; S126-A128 WeakPolarHBondContact OG-CB 3.25Å; S126-A128 PolarHBondContact OG-N 3.3Å; S126-A128 VanDerWaalsContact OG-N 3.14Å
129	P	52.7	Low	62.2	Low	48 Å²	48	66 Å²	66	31%	0.312	38%	0.384	S	S	.	.			trans	-64.9	135.8	178	26.4	-33.6	0	0	0	111.1	L131 A214 M326	P129-L131 PolarHBondContact O-N 3.33Å; P129-A214 WeakPolarHBondContact CB-O 3.38Å; P129-M326 HydrophobicContact CB-SD 3.68Å; P129-M326 HydrophobicContact CG-CE 4.21Å; P129-M326 HydrophobicContact CG-CG 3.88Å; P129-M326 HydrophobicContact CG-SD 3.33Å; P129-M326 WeakPolarHBondContact CG-SD 3.46Å
130	R	64.5	Low	63.9	Low	121 Å²	121	62.3 Å²	62.3	46%	0.457	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	23.8	-174.7	-65.2	179.9	170	-176.5	-7.1	114.6	N132 T133	R130-N132 VanDerWaalsContact C-N 3.34Å; R130-N132 PolarHBondContact O-N 2.94Å; R130-N132 PolarHBondContact O-OD1 2.93Å; R130-T133 PolarHBondContact O-N 3.33Å; R130-T133 PolarHBondContact O-OG1 2.94Å
131	L	67.7	Low	65.7	Low	2 Å²	2	57 Å²	57	1%	0.01	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-37.8	-167.9	-154.2	91	0	0	0	112.9	P129 T133 V134 P212 M213 C241 F242 L323 M326	P129-L131 PolarHBondContact O-N 3.33Å; L131-T133 PolarHBondContact O-N 3.48Å; L131-V134 PolarHBondContact O-N 3.31Å; L131-P212 HydrophobicContact CD1-CB 3.51Å; L131-P212 HydrophobicContact CD2-CB 4.49Å; L131-P212 HydrophobicContact CG-CB 3.87Å; L131-M213 WeakPolarHBondContact CD1-O 3.26Å; L131-C241 HydrophobicContact CD2-CB 3.66Å; L131-F242 HydrophobicContact CD2-CD1 4.05Å; L131-F242 HydrophobicContact CD2-CE1 3.43Å; L131-F242 VanDerWaalsContact CD2-CE1 3.43Å; L131-F242 HydrophobicContact CD2-CE2 4.14Å; L131-F242 HydrophobicContact CD2-CZ 3.46Å; L131-F242 VanDerWaalsContact CD2-CZ 3.46Å; L131-F242 HydrophobicContact CG-CD1 4.38Å; L131-F242 HydrophobicContact CG-CE1 3.7Å; L131-F242 HydrophobicContact CG-CZ 4.12Å; L131-F242 WeakPolarHBondContact O-CD1 3.34Å; L131-F242 WeakPolarHBondContact O-CE1 3.44Å; L131-L323 HydrophobicContact CD1-CD1 3.73Å; L131-L323 HydrophobicContact CD2-CD1 3.68Å; L131-L323 HydrophobicContact CG-CD1 4.34Å; L131-M326 HydrophobicContact CB-CE 4.09Å; L131-M326 HydrophobicContact CD1-CE 3.98Å; L131-M326 HydrophobicContact CD2-CE 3.66Å; L131-M326 HydrophobicContact CG-CE 4.1Å
132	N	67.7	Low	67.8	Low	67 Å²	67	51.9 Å²	51.9	36%	0.358	31%	0.312	S	S	.	.	H	α-helix	trans	-47.4	-45.3	175.1	59.7	-19	0	0	0	112.3	R130 V134 L135 S136 F242	R130-N132 VanDerWaalsContact C-N 3.34Å; R130-N132 PolarHBondContact O-N 2.94Å; R130-N132 PolarHBondContact O-OD1 2.93Å; N132-V134 PolarHBondContact O-N 2.84Å; N132-V134 VanDerWaalsContact O-N 3.07Å; N132-L135 PolarHBondContact O-N 3.1Å; N132-S136 WeakPolarHBondContact O-CB 3.33Å; N132-S136 PolarHBondContact O-N 3.46Å; N132-S136 PolarHBondContact O-OG 3.35Å; N132-F242 WeakPolarHBondContact CB-O 3.35Å
133	T	72.4	Confident	69.9	Low	18 Å²	18	48.8 Å²	48.8	11%	0.11	29%	0.293	C	S	.	.	H	α-helix	trans	-62.3	-17	-178.2	68.4	0	0	0	0	114.9	V122 R130 L131 E137	V122-T133 HydrophobicContact CG2-CG2 4.08Å; R130-T133 PolarHBondContact O-N 3.33Å; R130-T133 PolarHBondContact O-OG1 2.94Å; L131-T133 PolarHBondContact O-N 3.48Å; T133-E137 WeakPolarHBondContact O-CB 3.41Å; T133-E137 WeakPolarHBondContact O-CG 3.27Å
134	V	81.7	Confident	72.5	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.018	28%	0.278	C	S	.	.	H	α-helix	trans	-78.4	-38.5	-178.8	-177.5	0	0	0	0	111.5	L131 N132 S141 V210 P212 I218	L131-V134 PolarHBondContact O-N 3.31Å; N132-V134 PolarHBondContact O-N 2.84Å; N132-V134 VanDerWaalsContact O-N 3.07Å; V134-S141 VanDerWaalsContact O-CB 3.23Å; V134-S141 WeakPolarHBondContact O-CB 3.27Å; V134-S141 PolarHBondContact O-OG 3.24Å; V134-V210 HydrophobicContact CG1-CG1 4.47Å; V134-P212 HydrophobicContact CB-CB 4.09Å; V134-P212 HydrophobicContact CB-CG 4.11Å; V134-P212 HydrophobicContact CG1-CB 4.06Å; V134-P212 HydrophobicContact CG1-CG 3.7Å; V134-P212 HydrophobicContact CG2-CB 4.15Å; V134-I218 HydrophobicContact CG1-CD1 3.53Å; V134-I218 HydrophobicContact CG1-CG1 3.88Å; V134-I218 HydrophobicContact CG2-CD1 4.26Å; V134-I218 HydrophobicContact CG2-CG1 4.15Å
135	L	85.5	Confident	74.9	Confident	4 Å²	4	40.5 Å²	40.5	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-102.2	-26.1	178.8	-65.7	-167.2	0	0	0	113.4	N132 E137 W138 F242 Y246 V471 P472	N132-L135 PolarHBondContact O-N 3.1Å; L135-E137 PolarHBondContact O-N 3.28Å; L135-W138 HydrophobicContact CD2-CE3 4.43Å; L135-W138 WeakPolarHBondContact O-CB 3.44Å; L135-W138 PolarHBondContact O-N 2.63Å; L135-F242 HydrophobicContact CB-CD1 3.8Å; L135-F242 HydrophobicContact CB-CE1 4.01Å; L135-F242 HydrophobicContact CB-CG 4.3Å; L135-F242 HydrophobicContact CD1-CD1 3.97Å; L135-F242 HydrophobicContact CD1-CD2 3.86Å; L135-F242 HydrophobicContact CD1-CE1 3.7Å; L135-F242 HydrophobicContact CD1-CE2 3.59Å; L135-F242 HydrophobicContact CD1-CG 4.07Å; L135-F242 HydrophobicContact CD1-CZ 3.52Å; L135-F242 HydrophobicContact CG-CD1 3.89Å; L135-F242 HydrophobicContact CG-CE1 3.58Å; L135-F242 HydrophobicContact CG-CE2 4.41Å; L135-F242 HydrophobicContact CG-CG 4.45Å; L135-F242 HydrophobicContact CG-CZ 3.88Å; L135-Y246 VanDerWaalsContact C-OH 3.25Å; L135-Y246 HydrophobicContact CB-CD2 4.45Å; L135-Y246 HydrophobicContact CB-CE2 3.54Å; L135-Y246 HydrophobicContact CD1-CD2 4.26Å; L135-Y246 HydrophobicContact CD1-CE2 3.93Å; L135-Y246 HydrophobicContact CG-CE2 4.4Å; L135-V471 HydrophobicContact CB-CG1 3.99Å; L135-V471 HydrophobicContact CD1-CG1 4.26Å; L135-V471 HydrophobicContact CD2-CG1 3.89Å; L135-V471 HydrophobicContact CG-CG1 4.25Å; L135-P472 HydrophobicContact CD2-CB 4.25Å
136	S	82.9	Confident	77.5	Confident	27 Å²	27	34.8 Å²	34.8	19%	0.189	21%	0.205	C	C	.	.	H	α-helix	trans	-65.2	-29.7	173.8	74.4	0	0	0	0	112.5	N132 Y246 R462	N132-S136 WeakPolarHBondContact O-CB 3.33Å; N132-S136 PolarHBondContact O-N 3.46Å; N132-S136 PolarHBondContact O-OG 3.35Å; S136-Y246 PolarHBondContact N-OH 3.13Å; S136-Y246 VanDerWaalsContact N-OH 3.13Å; S136-R462 WeakPolarHBondContact O-CD 3.49Å; S136-R462 PolarHBondContact O-NE 2.97Å; S136-R462 VanDerWaalsContact O-NE 3.08Å; S136-R462 PolarHBondContact O-NH2 3.33Å
137	E	86.2	Confident	80.2	Confident	40 Å²	40	31.5 Å²	31.5	19%	0.187	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	24.1	179.8	-44.7	-54.4	125.8	0	0	112.9	I117 T133 L135 P139 N140 S141 R462	I117-E137 HydrophobicContact CD1-CB 3.31Å; I117-E137 HydrophobicContact CD1-CG 3.88Å; I117-E137 HydrophobicContact CG1-CB 3.82Å; I117-E137 HydrophobicContact CG1-CG 4.07Å; I117-E137 HydrophobicContact CG2-CG 3.95Å; T133-E137 WeakPolarHBondContact O-CB 3.41Å; T133-E137 WeakPolarHBondContact O-CG 3.27Å; L135-E137 PolarHBondContact O-N 3.28Å; E137-P139 CarbonylContact O-C 3.56Å; E137-N140 CarbonylContact O-C 3.29Å; E137-N140 WeakPolarHBondContact O-CA 3.42Å; E137-N140 PolarHBondContact O-N 3.46Å; E137-S141 PolarHBondContact O-N 3.37Å; E137-R462 IonicContact OE1-CZ 3.66Å; E137-R462 IonicContact OE1-NH1 2.87Å; E137-R462 PolarHBondContact OE1-NH1 3.28Å; E137-R462 IonicContact OE1-NH2 3.38Å; E137-R462 IonicContact OE2-CZ 3.18Å; E137-R462 IonicContact OE2-NH1 2.73Å; E137-R462 PolarHBondContact OE2-NH1 3.04Å; E137-R462 IonicContact OE2-NH2 3.67Å; E137-R462 PolarHBondContact OE2-NH2 3.3Å
138	W	89.5	Confident	82.6	Confident	9 Å²	9	27.3 Å²	27.3	3%	0.034	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	135.2	173.9	-175	-103.1	0	0	0	110.7	Q75 L135 V142 F143 V210 P469 V471 P472 F473 F474	Q75-W138 HydrophobicContact CB-CH2 4.25Å; Q75-W138 HydrophobicContact CG-CH2 4.47Å; L135-W138 HydrophobicContact CD2-CE3 4.43Å; L135-W138 WeakPolarHBondContact O-CB 3.44Å; L135-W138 PolarHBondContact O-N 2.63Å; W138-V142 HydrophobicContact CE3-CG2 4.47Å; W138-V142 HydrophobicContact CZ3-CB 4.44Å; W138-V142 HydrophobicContact CZ3-CG2 3.96Å; W138-F143 HydrophobicContact CH2-CE2 4.4Å; W138-V210 HydrophobicContact CH2-CG2 4.46Å; W138-V210 HydrophobicContact CZ3-CG1 4.5Å; W138-V210 HydrophobicContact CZ3-CG2 4.28Å; W138-P469 WeakPolarHBondContact O-CG 3.32Å; W138-V471 HydrophobicContact CB-CG1 4.05Å; W138-V471 HydrophobicContact CB-CG2 4.06Å; W138-V471 HydrophobicContact CG-CG1 4.06Å; W138-V471 HydrophobicContact CG-CG2 4.32Å; W138-P472 HydrophobicContact CD2-CB 4.34Å; W138-P472 HydrophobicContact CE3-CB 4.48Å; W138-P472 HydrophobicContact CH2-CB 4.3Å; W138-P472 VanDerWaalsContact CZ2-C 3.46Å; W138-P472 HydrophobicContact CZ2-CB 4.13Å; W138-P472 WeakPolarHBondContact CZ2-O 3.49Å; W138-P472 HydrophobicContact CZ3-CB 4.46Å; W138-F473 PolarHBondContact NE1-O 3.19Å; W138-F474 HydrophobicContact CZ2-CB 3.91Å
139	P	92.1	Very high	84.9	Confident	11 Å²	11	26.4 Å²	26.4	7%	0.071	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	cis	-90.1	-10.1	-1.7	38.1	-36.8	0	0	0	113.9	L114 E137 S141 V142 F143 T476	L114-P139 HydrophobicContact CD1-CG 3.98Å; E137-P139 CarbonylContact O-C 3.56Å; P139-S141 PolarHBondContact O-N 2.82Å; P139-V142 PolarHBondContact O-N 2.8Å; P139-F143 HydrophobicContact CB-CD2 3.97Å; P139-F143 PolarHBondContact O-N 3.03Å; P139-T476 HydrophobicContact CB-CG2 3.9Å; P139-T476 HydrophobicContact CG-CG2 3.66Å
140	N	91.1	Very high	87	Confident	30 Å²	30	28 Å²	28	16%	0.16	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-19	-174	-60.6	29.9	0	0	0	113.9	R89 E115 I117 E137 V142	R89-N140 WeakPolarHBondContact CD-O 3.25Å; R89-N140 PolarHBondContact NH1-O 3.04Å; E115-N140 PolarHBondContact O-ND2 3.33Å; I117-N140 HydrophobicContact CD1-CB 3.92Å; I117-N140 WeakPolarHBondContact CD1-O 3.08Å; I117-N140 HydrophobicContact CG1-CB 4.08Å; E137-N140 CarbonylContact O-C 3.29Å; E137-N140 WeakPolarHBondContact O-CA 3.42Å; E137-N140 PolarHBondContact O-N 3.46Å; N140-V142 VanDerWaalsContact C-N 3.31Å
141	S	87.8	Confident	88.4	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.014	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-33.2	175.7	56.1	0	0	0	0	113	I117 R119 V134 E137 P139	I117-S141 VanDerWaalsContact CD1-CA 3.4Å; I117-S141 VanDerWaalsContact CD1-N 3.32Å; R119-S141 PolarHBondContact NH2-O 3.3Å; V134-S141 VanDerWaalsContact O-CB 3.23Å; V134-S141 WeakPolarHBondContact O-CB 3.27Å; V134-S141 PolarHBondContact O-OG 3.24Å; E137-S141 PolarHBondContact O-N 3.37Å; P139-S141 PolarHBondContact O-N 2.82Å
142	V	91.8	Very high	89.6	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-42.4	-177.2	171.6	0	0	0	0	111.2	V76 L86 R89 V90 W138 P139 N140 V210 I218	V76-V142 HydrophobicContact CG2-CG1 3.65Å; L86-V142 HydrophobicContact CD2-CG1 4.24Å; R89-V142 CarbonylContact C-O 3.5Å; R89-V142 VanDerWaalsContact CA-O 3.23Å; R89-V142 WeakPolarHBondContact CA-O 3.41Å; V90-V142 HydrophobicContact CG2-CG1 4.08Å; V90-V142 PolarHBondContact N-O 3.27Å; W138-V142 HydrophobicContact CE3-CG2 4.47Å; W138-V142 HydrophobicContact CZ3-CB 4.44Å; W138-V142 HydrophobicContact CZ3-CG2 3.96Å; P139-V142 PolarHBondContact O-N 2.8Å; N140-V142 VanDerWaalsContact C-N 3.31Å; V142-V210 HydrophobicContact CG1-CG2 4.48Å; V142-V210 HydrophobicContact CG2-CG1 4.05Å; V142-V210 HydrophobicContact CG2-CG2 4.16Å; V142-I218 HydrophobicContact CG2-CD1 3.73Å
143	F	94.1	Very high	91	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	143.4	-169.7	-63.8	-88.2	0	0	0	113.7	Q75 V76 R89 V90 C92 L114 W138 P139 V146 F474	Q75-F143 WeakPolarHBondContact O-CZ 3.47Å; V76-F143 HydrophobicContact CB-CZ 4.32Å; V76-F143 HydrophobicContact CG1-CE1 4.4Å; V76-F143 HydrophobicContact CG1-CZ 4.39Å; V76-F143 HydrophobicContact CG2-CE1 4.44Å; V76-F143 HydrophobicContact CG2-CE2 4.23Å; V76-F143 HydrophobicContact CG2-CZ 3.78Å; R89-F143 WeakPolarHBondContact CD-O 3.29Å; R89-F143 PolarHBondContact NH1-O 3.47Å; V90-F143 HydrophobicContact CB-CD1 3.85Å; V90-F143 HydrophobicContact CB-CE1 4.25Å; V90-F143 HydrophobicContact CG1-CD1 4.06Å; V90-F143 HydrophobicContact CG1-CE1 4.13Å; V90-F143 CarbonylContact O-C 3.44Å; V90-F143 VanDerWaalsContact O-CA 3.26Å; V90-F143 WeakPolarHBondContact O-CA 3.44Å; C92-F143 HydrophobicContact CB-CD1 3.62Å; C92-F143 HydrophobicContact CB-CE1 3.57Å; L114-F143 HydrophobicContact CD1-CB 3.72Å; W138-F143 HydrophobicContact CH2-CE2 4.4Å; P139-F143 HydrophobicContact CB-CD2 3.97Å; P139-F143 PolarHBondContact O-N 3.03Å; F143-V146 HydrophobicContact CB-CG1 3.64Å; F143-V146 HydrophobicContact CD1-CG1 3.96Å; F143-V146 HydrophobicContact CD2-CG1 4.48Å; F143-V146 HydrophobicContact CG-CG1 3.8Å; F143-F474 HydrophobicContact CD2-CD2 4.47Å; F143-F474 HydrophobicContact CE1-CD1 4.49Å; F143-F474 HydrophobicContact CE1-CE1 4.07Å; F143-F474 HydrophobicContact CE1-CE2 4.4Å; F143-F474 HydrophobicContact CE1-CZ 4.03Å; F143-F474 HydrophobicContact CE2-CD1 4.39Å; F143-F474 AromaticContact CE2-CD2 3.88Å; F143-F474 HydrophobicContact CE2-CD2 3.88Å; F143-F474 HydrophobicContact CE2-CE2 4.16Å; F143-F474 HydrophobicContact CE2-CG 4.01Å; F143-F474 AromaticContact CZ-CD1 3.81Å; F143-F474 HydrophobicContact CZ-CD1 3.81Å; F143-F474 HydrophobicContact CZ-CD2 4.03Å; F143-F474 AromaticContact CZ-CE1 3.84Å; F143-F474 HydrophobicContact CZ-CE1 3.84Å; F143-F474 HydrophobicContact CZ-CE2 4.09Å; F143-F474 AromaticContact CZ-CG 3.9Å; F143-F474 HydrophobicContact CZ-CG 3.9Å; F143-F474 AromaticContact CZ-CZ 3.99Å; F143-F474 HydrophobicContact CZ-CZ 3.99Å
144	S	94.9	Very high	92	Very high	30 Å²	30	27.6 Å²	27.6	21%	0.21	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-37.1	173.1	44.3	0	0	0	0	112.5	R89 V90 F91 L114	R89-S144 PolarHBondContact O-OG 2.83Å; V90-S144 VanDerWaalsContact C-OG 3.24Å; V90-S144 PolarHBondContact O-N 3.44Å; V90-S144 PolarHBondContact O-OG 2.9Å; V90-S144 VanDerWaalsContact O-OG 3.11Å; F91-S144 WeakPolarHBondContact CA-OG 3.19Å; F91-S144 PolarHBondContact N-OG 2.78Å; L114-S144 PolarHBondContact N-O 3.24Å
145	S	96.1	Very high	92.5	Very high	16 Å²	16	27.6 Å²	27.6	11%	0.112	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	146.6	173.2	-57	0	0	0	0	110	C92 H112	C92-S145 PolarHBondContact N-O 3.41Å; H112-S145 CarbonylContact O-C 3.35Å; H112-S145 VanDerWaalsContact O-CA 3.22Å; H112-S145 WeakPolarHBondContact O-CA 3.43Å
146	V	96.3	Very high	92.9	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.03	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	158.1	-179.7	-60.3	0	0	0	0	111.1	C92 C93 H112 L114 F143 F474	C92-V146 WeakPolarHBondContact O-CA 3.3Å; C93-V146 VanDerWaalsContact SG-C 3.52Å; H112-V146 PolarHBondContact N-O 3.3Å; H112-V146 PolarHBondContact O-N 2.93Å; L114-V146 HydrophobicContact CD1-CG1 3.72Å; L114-V146 HydrophobicContact CD1-CG2 4.06Å; L114-V146 HydrophobicContact CD2-CG2 3.91Å; L114-V146 HydrophobicContact CG-CG1 4.42Å; L114-V146 HydrophobicContact CG-CG2 4.04Å; F143-V146 HydrophobicContact CB-CG1 3.64Å; F143-V146 HydrophobicContact CD1-CG1 3.96Å; F143-V146 HydrophobicContact CD2-CG1 4.48Å; F143-V146 HydrophobicContact CG-CG1 3.8Å; V146-F474 HydrophobicContact CB-CE2 4.01Å; V146-F474 HydrophobicContact CB-CZ 4.21Å; V146-F474 HydrophobicContact CG1-CE2 3.63Å; V146-F474 HydrophobicContact CG1-CZ 3.94Å
147	C	96.8	Very high	93.5	Very high	14 Å²	14	27.5 Å²	27.5	10%	0.095	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	127.5	168.5	-71.5	0	0	0	0	112	C92 C103 Y156	C92-C147 PolarHBondContact O-N 3.22Å; C103-C147 WeakPolarHBondContact CA-SG 3.34Å; C103-C147 HydrophobicContact CB-CB 3.69Å; C103-C147 WeakPolarHBondContact CB-SG 3.47Å; C103-C147 WeakPolarHBondContact SG-CA 3.46Å; C103-C147 WeakPolarHBondContact SG-CB 3.23Å; C103-C147 CovalentContact SG-SG 2.03Å; C103-C147 PolarHBondContact SG-SG 2.69Å; C147-Y156 VanDerWaalsContact CB-O 3.32Å; C147-Y156 WeakPolarHBondContact CB-O 3.43Å; C147-Y156 PolarHBondContact SG-O 3.44Å
148	V	95.7	Very high	94	Very high	68 Å²	68	25.6 Å²	25.6	41%	0.412	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	119	166.3	176	0	0	0	0	107.6	G109 K110 H112	G109-V148 CarbonylContact C-O 2.84Å; G109-V148 WeakPolarHBondContact CA-O 3.45Å; K110-V148 PolarHBondContact N-O 2.71Å; K110-V148 PolarHBondContact O-N 3.3Å; H112-V148 HydrophobicContact CB-CB 4.37Å; H112-V148 HydrophobicContact CB-CG2 3.61Å
149	C	96	Very high	94.2	Very high	39 Å²	39	27.7 Å²	27.7	26%	0.264	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	155.3	-175	-51.9	0	0	0	0	112.3	R108 F153 C158	R108-C149 WeakPolarHBondContact O-CA 3.33Å; C149-F153 HydrophobicContact CB-CB 4.14Å; C149-F153 WeakPolarHBondContact CB-O 3.4Å; C149-C158 WeakPolarHBondContact CA-SG 3.44Å; C149-C158 HydrophobicContact CB-CB 3.8Å; C149-C158 WeakPolarHBondContact CB-SG 3.48Å; C149-C158 WeakPolarHBondContact SG-CA 3.33Å; C149-C158 WeakPolarHBondContact SG-CB 3.41Å; C149-C158 CovalentContact SG-SG 2.04Å; C149-C158 PolarHBondContact SG-SG 2.98Å
150	H	95.5	Very high	94.2	Very high	81 Å²	81	28.9 Å²	28.9	38%	0.375	18%	0.179	S	C	.	.			trans	-102.7	140.3	-178.7	-62.4	158.1	0	0	0	111.4	P106 R108 L152 F153	P106-H150 PolarHBondContact O-CE1 3.31Å; P106-H150 PolarHBondContact O-ND1 2.88Å; R108-H150 PolarHBondContact O-N 3.46Å; H150-L152 PolarHBondContact O-N 2.86Å; H150-L152 VanDerWaalsContact O-N 3.1Å; H150-F153 WeakPolarHBondContact O-CD2 3.5Å; H150-F153 PolarHBondContact O-N 2.94Å
151	G	93.9	Very high	94.3	Very high	84 Å²	84	29 Å²	29	87%	0.866	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.8	-109.7	172.1	0	0	0	0	0	113.6
152	L	94.2	Very high	94.5	Very high	68 Å²	68	30 Å²	30	36%	0.356	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	7	-176.5	-64.4	172.5	0	0	0	113.4	H150 C161 A162 Y165 C170	H150-L152 PolarHBondContact O-N 2.86Å; H150-L152 VanDerWaalsContact O-N 3.1Å; L152-C161 CarbonylContact O-C 3.51Å; L152-C161 WeakPolarHBondContact O-CA 3.11Å; L152-A162 PolarHBondContact O-N 3.29Å; L152-Y165 HydrophobicContact CD1-CD1 3.73Å; L152-Y165 HydrophobicContact CD1-CE1 3.62Å; L152-Y165 HydrophobicContact CD1-CG 4.27Å; L152-Y165 HydrophobicContact CD2-CD1 4.48Å; L152-Y165 HydrophobicContact CD2-CD2 4.03Å; L152-Y165 HydrophobicContact CD2-CE1 4.25Å; L152-Y165 HydrophobicContact CD2-CE2 3.79Å; L152-Y165 HydrophobicContact CD2-CG 4.36Å; L152-C170 HydrophobicContact CB-CB 3.83Å
153	F	96	Very high	94.5	Very high	34 Å²	34	31.3 Å²	31.3	15%	0.149	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	147.1	173.8	-64.9	-65.5	0	0	0	111.7	A107 R108 C149 H150 C158 E160 N169 C170	A107-F153 WeakPolarHBondContact O-CE2 3.21Å; R108-F153 HydrophobicContact CB-CD2 4.2Å; R108-F153 HydrophobicContact CB-CG 4.35Å; R108-F153 HydrophobicContact CG-CD1 4.17Å; R108-F153 HydrophobicContact CG-CD2 4.01Å; R108-F153 HydrophobicContact CG-CE1 4.11Å; R108-F153 HydrophobicContact CG-CE2 3.93Å; R108-F153 HydrophobicContact CG-CG 4.13Å; R108-F153 HydrophobicContact CG-CZ 3.99Å; R108-F153 VanDerWaalsContact NH1-CD1 3.29Å; R108-F153 VanDerWaalsContact NH1-CE1 3.3Å; C149-F153 HydrophobicContact CB-CB 4.14Å; C149-F153 WeakPolarHBondContact CB-O 3.4Å; H150-F153 WeakPolarHBondContact O-CD2 3.5Å; H150-F153 PolarHBondContact O-N 2.94Å; F153-C158 HydrophobicContact CB-CB 4.36Å; F153-E160 CarbonylContact C-O 3.5Å; F153-E160 WeakPolarHBondContact CA-O 3.45Å; F153-N169 HydrophobicContact CZ-CB 4.37Å; F153-C170 WeakPolarHBondContact CD1-SG 3.4Å
154	A	93.8	Very high	94.3	Very high	15 Å²	15	31.6 Å²	31.6	12%	0.124	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	-174.8	-179.3	0	0	0	0	0	111.7	C158 N159 E160	A154-C158 CarbonylContact O-C 3.55Å; A154-C158 WeakPolarHBondContact O-CA 3.42Å; A154-N159 PolarHBondContact O-N 3.31Å; A154-E160 PolarHBondContact N-O 3.27Å; A154-E160 CarbonylContact O-C 3.58Å; A154-E160 WeakPolarHBondContact O-CA 3.34Å; A154-E160 WeakPolarHBondContact O-CB 3.42Å; A154-E160 PolarHBondContact O-N 3.4Å
155	G	92.8	Very high	94.3	Very high	2 Å²	2	33.3 Å²	33.3	2%	0.021	20%	0.204	C	C	.	.	S	Bend	trans	83.7	157	-172.3	0	0	0	0	0	111.9	K157 C158 P475	G155-K157 PolarHBondContact O-N 3.38Å; G155-C158 PolarHBondContact O-N 2.99Å; G155-P475 VanDerWaalsContact C-CG 3.46Å
156	Y	93.8	Very high	94.1	Very high	10 Å²	10	35.3 Å²	35.3	4%	0.039	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-4.8	-170.5	64.8	-82.7	0	0	0	114.6	D71 P77 E79 P94 C147 Y207 P475	D71-Y156 HydrophobicContact CB-CE1 3.89Å; D71-Y156 VanDerWaalsContact OD1-CE1 3.27Å; D71-Y156 WeakPolarHBondContact OD1-CE1 3.43Å; D71-Y156 VanDerWaalsContact OD1-CZ 3.28Å; D71-Y156 PolarHBondContact OD1-OH 3.11Å; P77-Y156 HydrophobicContact CB-CD1 4.38Å; P77-Y156 HydrophobicContact CB-CD2 3.71Å; P77-Y156 HydrophobicContact CB-CE1 4.25Å; P77-Y156 HydrophobicContact CB-CE2 3.53Å; P77-Y156 HydrophobicContact CB-CG 4.13Å; P77-Y156 HydrophobicContact CG-CD1 3.99Å; P77-Y156 HydrophobicContact CG-CD2 3.43Å; P77-Y156 VanDerWaalsContact CG-CD2 3.43Å; P77-Y156 HydrophobicContact CG-CE1 4.35Å; P77-Y156 HydrophobicContact CG-CE2 3.83Å; P77-Y156 HydrophobicContact CG-CG 3.51Å; E79-Y156 HydrophobicContact CB-CE2 4.18Å; E79-Y156 WeakPolarHBondContact OE2-CE2 3.36Å; E79-Y156 PolarHBondContact OE2-OH 2.85Å; E79-Y156 VanDerWaalsContact OE2-OH 3.05Å; P94-Y156 HydrophobicContact CG-CD2 3.65Å; P94-Y156 HydrophobicContact CG-CE2 3.71Å; C147-Y156 VanDerWaalsContact CB-O 3.32Å; C147-Y156 WeakPolarHBondContact CB-O 3.43Å; C147-Y156 PolarHBondContact SG-O 3.44Å; Y156-Y207 WeakPolarHBondContact CD1-OH 3.21Å; Y156-Y207 WeakPolarHBondContact CE1-OH 3.11Å; Y156-P475 VanDerWaalsContact N-CG 3.31Å
157	K	95.1	Very high	93.9	Very high	19 Å²	19	36.1 Å²	36.1	8%	0.083	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.9	13.5	171.3	58.1	-159.8	165.5	-163.6	0	113.3	D71 E79 P94 P96 C103 G155 N159	D71-K157 WeakPolarHBondContact OD1-CE 3.4Å; D71-K157 IonicContact OD1-NZ 2.8Å; D71-K157 PolarHBondContact OD1-NZ 2.84Å; D71-K157 WeakPolarHBondContact OD2-CE 3.36Å; D71-K157 IonicContact OD2-NZ 2.73Å; D71-K157 PolarHBondContact OD2-NZ 2.89Å; E79-K157 IonicContact OE2-NZ 3.98Å; E79-K157 PolarHBondContact OE2-NZ 3.39Å; P94-K157 HydrophobicContact CB-CB 4.02Å; P94-K157 HydrophobicContact CB-CD 4.08Å; P94-K157 HydrophobicContact CG-CB 4.03Å; P94-K157 HydrophobicContact CG-CD 4.37Å; P96-K157 HydrophobicContact CG-CB 3.97Å; P96-K157 HydrophobicContact CG-CG 4.11Å; P96-K157 WeakPolarHBondContact CG-O 3.34Å; C103-K157 CarbonylContact C-O 3.58Å; C103-K157 VanDerWaalsContact C-O 3.29Å; C103-K157 WeakPolarHBondContact CA-O 3.07Å; G155-K157 PolarHBondContact O-N 3.38Å; K157-N159 HydrophobicContact CG-CB 4.2Å; K157-N159 WeakPolarHBondContact CG-OD1 3.25Å; K157-N159 PolarHBondContact O-N 2.9Å
158	C	95.9	Very high	93.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	59.6	25.7	179.3	-49	0	0	0	0	115.3	C103 R108 C149 F153 A154 G155	C103-C158 WeakPolarHBondContact O-CB 3.36Å; R108-C158 HydrophobicContact CB-CB 4Å; R108-C158 WeakPolarHBondContact CD-O 3.49Å; R108-C158 PolarHBondContact NH1-O 3.29Å; C149-C158 WeakPolarHBondContact CA-SG 3.44Å; C149-C158 HydrophobicContact CB-CB 3.8Å; C149-C158 WeakPolarHBondContact CB-SG 3.48Å; C149-C158 WeakPolarHBondContact SG-CA 3.33Å; C149-C158 WeakPolarHBondContact SG-CB 3.41Å; C149-C158 CovalentContact SG-SG 2.04Å; C149-C158 PolarHBondContact SG-SG 2.98Å; F153-C158 HydrophobicContact CB-CB 4.36Å; A154-C158 CarbonylContact O-C 3.55Å; A154-C158 WeakPolarHBondContact O-CA 3.42Å; G155-C158 PolarHBondContact O-N 2.99Å
159	N	93.8	Very high	93.5	Very high	54 Å²	54	41.6 Å²	41.6	29%	0.289	26%	0.256	S	S	.	.			trans	-85.3	-22.4	176.4	61	-44.2	0	0	0	113.5	D71 P96 R108 A154 K157	D71-N159 PolarHBondContact OD2-ND2 2.96Å; P96-N159 HydrophobicContact CB-CB 4.1Å; P96-N159 HydrophobicContact CG-CB 4.31Å; R108-N159 PolarHBondContact NH1-O 2.93Å; A154-N159 PolarHBondContact O-N 3.31Å; K157-N159 HydrophobicContact CG-CB 4.2Å; K157-N159 WeakPolarHBondContact CG-OD1 3.25Å; K157-N159 PolarHBondContact O-N 2.9Å
160	E	92.3	Very high	93.4	Very high	36 Å²	36	39.8 Å²	39.8	17%	0.168	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-175.9	-177.3	-45.9	-160.9	110.5	0	0	112	Q73 F153 A154 C170 K265	Q73-E160 PolarHBondContact NE2-OE2 2.89Å; F153-E160 CarbonylContact C-O 3.5Å; F153-E160 WeakPolarHBondContact CA-O 3.45Å; A154-E160 PolarHBondContact N-O 3.27Å; A154-E160 CarbonylContact O-C 3.58Å; A154-E160 WeakPolarHBondContact O-CA 3.34Å; A154-E160 WeakPolarHBondContact O-CB 3.42Å; A154-E160 PolarHBondContact O-N 3.4Å; E160-C170 PolarHBondContact O-SG 3.19Å; E160-K265 IonicContact OE1-NZ 2.81Å; E160-K265 PolarHBondContact OE1-NZ 3.08Å; E160-K265 IonicContact OE2-NZ 3.29Å; E160-K265 PolarHBondContact OE2-NZ 3.43Å
161	C	93.3	Very high	93.4	Very high	32 Å²	32	40.5 Å²	40.5	22%	0.216	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	151.9	177.1	-61.1	0	0	0	0	112.3	L152 Y165 G167 C170	L152-C161 CarbonylContact O-C 3.51Å; L152-C161 WeakPolarHBondContact O-CA 3.11Å; C161-Y165 WeakPolarHBondContact CB-O 3.48Å; C161-G167 PolarHBondContact SG-O 2.92Å; C161-C170 WeakPolarHBondContact CA-SG 3.4Å; C161-C170 HydrophobicContact CB-CB 3.69Å; C161-C170 WeakPolarHBondContact CB-SG 3.4Å; C161-C170 WeakPolarHBondContact SG-CA 3.46Å; C161-C170 WeakPolarHBondContact SG-CB 3.28Å; C161-C170 CovalentContact SG-SG 2.04Å; C161-C170 PolarHBondContact SG-SG 3.13Å
162	A	92.7	Very high	93.3	Very high	23 Å²	23	42.2 Å²	42.2	19%	0.19	23%	0.231	C	C	.	.			trans	-59	154.3	173.3	0	0	0	0	0	111.8	L152 G164 Y165	L152-A162 PolarHBondContact O-N 3.29Å; A162-G164 PolarHBondContact O-N 3.39Å; A162-Y165 HydrophobicContact CB-CD2 4.36Å; A162-Y165 WeakPolarHBondContact O-CB 3.39Å; A162-Y165 PolarHBondContact O-N 2.92Å
163	P	91	Very high	93.2	Very high	28 Å²	28	45.1 Å²	45.1	18%	0.182	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48	127.6	179.1	-30.2	36.4	0	0	0	113.1	Y165 F261 L489	P163-Y165 WeakPolarHBondContact O-CD2 3.16Å; P163-F261 HydrophobicContact CB-CE1 4.41Å; P163-F261 HydrophobicContact CB-CE2 3.92Å; P163-F261 HydrophobicContact CB-CZ 3.7Å; P163-F261 HydrophobicContact CG-CE1 3.99Å; P163-F261 HydrophobicContact CG-CE2 4.38Å; P163-F261 HydrophobicContact CG-CZ 3.76Å; P163-L489 CarbonylContact C-O 3.38Å; P163-L489 HydrophobicContact CB-CB 4.11Å; P163-L489 HydrophobicContact CB-CD2 3.75Å; P163-L489 HydrophobicContact CG-CD2 4.46Å
164	G	91.4	Very high	92.6	Very high	5 Å²	5	46.4 Å²	46.4	5%	0.052	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	11.9	-177.9	0	0	0	0	0	115.9	A162 R173 H174 L489	A162-G164 PolarHBondContact O-N 3.39Å; G164-R173 WeakPolarHBondContact O-CD 3.47Å; G164-R173 PolarHBondContact O-NH1 2.82Å; G164-H174 PolarHBondContact O-N 3.47Å; G164-L489 VanDerWaalsContact CA-C 3.46Å; G164-L489 VanDerWaalsContact N-C 3.32Å; G164-L489 PolarHBondContact N-O 3.47Å
165	Y	93.7	Very high	92.2	Very high	66 Å²	66	53.2 Å²	53.2	26%	0.259	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	156.8	174.1	-66.4	-91.1	0	0	0	112.5	L152 C161 A162 P163 K172 R173	L152-Y165 HydrophobicContact CD1-CD1 3.73Å; L152-Y165 HydrophobicContact CD1-CE1 3.62Å; L152-Y165 HydrophobicContact CD1-CG 4.27Å; L152-Y165 HydrophobicContact CD2-CD1 4.48Å; L152-Y165 HydrophobicContact CD2-CD2 4.03Å; L152-Y165 HydrophobicContact CD2-CE1 4.25Å; L152-Y165 HydrophobicContact CD2-CE2 3.79Å; L152-Y165 HydrophobicContact CD2-CG 4.36Å; C161-Y165 WeakPolarHBondContact CB-O 3.48Å; A162-Y165 HydrophobicContact CB-CD2 4.36Å; A162-Y165 WeakPolarHBondContact O-CB 3.39Å; A162-Y165 PolarHBondContact O-N 2.92Å; P163-Y165 WeakPolarHBondContact O-CD2 3.16Å; Y165-K172 CarbonylContact C-O 3.51Å; Y165-K172 VanDerWaalsContact CA-O 3.29Å; Y165-K172 WeakPolarHBondContact CA-O 3.45Å; Y165-R173 VanDerWaalsContact CE2-NH1 3.31Å
166	T	92.5	Very high	91.9	Very high	59 Å²	59	56.2 Å²	56.2	36%	0.362	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	178.9	-179.5	-165.7	0	0	0	0	110.9	C170 E171 K172	T166-C170 CarbonylContact O-C 3.58Å; T166-C170 WeakPolarHBondContact O-CA 3.36Å; T166-E171 PolarHBondContact O-N 3.12Å; T166-K172 HydrophobicContact CG2-CB 3.96Å; T166-K172 PolarHBondContact N-O 2.76Å; T166-K172 WeakPolarHBondContact O-CB 3.42Å; T166-K172 PolarHBondContact O-N 2.82Å
167	G	91.1	Very high	91.9	Very high	22 Å²	22	57 Å²	57	23%	0.227	29%	0.294	C	S	.	.	S	Bend	trans	92.2	161.7	-171.8	0	0	0	0	0	112.3	C161 N169 C170	C161-G167 PolarHBondContact SG-O 2.92Å; G167-N169 PolarHBondContact O-N 3.05Å; G167-C170 PolarHBondContact O-N 3.15Å; G167-C170 VanDerWaalsContact O-N 3.12Å
168	P	91.2	Very high	91.8	Very high	89 Å²	89	63.2 Å²	63.2	58%	0.578	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-28.7	-173.5	26.3	-35.2	0	0	0	113.1	R108	R108-P168 PolarHBondContact NH2-O 2.88Å
169	N	93.4	Very high	91.8	Very high	108 Å²	108	63.2 Å²	63.2	58%	0.578	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	19.8	179	-57	-50.8	0	0	0	111.9	F153 G167 E171	F153-N169 HydrophobicContact CZ-CB 4.37Å; G167-N169 PolarHBondContact O-N 3.05Å; N169-E171 WeakPolarHBondContact CA-OE2 3.43Å; N169-E171 PolarHBondContact N-OE2 2.8Å; N169-E171 PolarHBondContact O-N 3.12Å; N169-E171 VanDerWaalsContact O-N 3.13Å
170	C	94.6	Very high	91.8	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.007	31%	0.313	C	S	.	.	S	Bend	trans	56.4	25.9	-178.4	-52	0	0	0	0	114.2	L152 F153 E160 C161 T166 G167 K172	L152-C170 HydrophobicContact CB-CB 3.83Å; F153-C170 WeakPolarHBondContact CD1-SG 3.4Å; E160-C170 PolarHBondContact O-SG 3.19Å; C161-C170 WeakPolarHBondContact CA-SG 3.4Å; C161-C170 HydrophobicContact CB-CB 3.69Å; C161-C170 WeakPolarHBondContact CB-SG 3.4Å; C161-C170 WeakPolarHBondContact SG-CA 3.46Å; C161-C170 WeakPolarHBondContact SG-CB 3.28Å; C161-C170 CovalentContact SG-SG 2.04Å; C161-C170 PolarHBondContact SG-SG 3.13Å; T166-C170 CarbonylContact O-C 3.58Å; T166-C170 WeakPolarHBondContact O-CA 3.36Å; G167-C170 PolarHBondContact O-N 3.15Å; G167-C170 VanDerWaalsContact O-N 3.12Å; C170-K172 VanDerWaalsContact C-N 3.35Å
171	E	93.9	Very high	91.6	Very high	96 Å²	96	62.7 Å²	62.7	45%	0.449	31%	0.311	S	S	.	.			trans	-82.3	-11.1	-171.8	77.3	-66.2	162.2	0	0	114	T166 N169	T166-E171 PolarHBondContact O-N 3.12Å; N169-E171 WeakPolarHBondContact CA-OE2 3.43Å; N169-E171 PolarHBondContact N-OE2 2.8Å; N169-E171 PolarHBondContact O-N 3.12Å; N169-E171 VanDerWaalsContact O-N 3.13Å
172	K	93.3	Very high	91.2	Very high	120 Å²	120	61.6 Å²	61.6	52%	0.522	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	149.5	-177.3	-64.1	168.8	-175.2	160	0	110.6	Y165 T166 C170	Y165-K172 CarbonylContact C-O 3.51Å; Y165-K172 VanDerWaalsContact CA-O 3.29Å; Y165-K172 WeakPolarHBondContact CA-O 3.45Å; T166-K172 HydrophobicContact CG2-CB 3.96Å; T166-K172 PolarHBondContact N-O 2.76Å; T166-K172 WeakPolarHBondContact O-CB 3.42Å; T166-K172 PolarHBondContact O-N 2.82Å; C170-K172 VanDerWaalsContact C-N 3.35Å
173	R	91.4	Very high	90.6	Very high	129 Å²	129	63 Å²	63	49%	0.487	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	136.8	163.9	-82.9	-57.9	-159.6	171.4	2.4	110	G164 Y165 S488	G164-R173 WeakPolarHBondContact O-CD 3.47Å; G164-R173 PolarHBondContact O-NH1 2.82Å; Y165-R173 VanDerWaalsContact CE2-NH1 3.31Å; R173-S488 PolarHBondContact NH1-O 2.99Å
174	H	84	Confident	90.4	Very high	61 Å²	61	65.1 Å²	65.1	28%	0.282	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-64.8	148	169.9	-163.4	-75.3	0	0	0	109.7	G164 T176	G164-H174 PolarHBondContact O-N 3.47Å; H174-T176 PolarHBondContact O-N 3.33Å
175	E	84.3	Confident	90.2	Very high	157 Å²	157	65.6 Å²	65.6	73%	0.734	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-64.2	131.9	171.6	-177	168.1	-169.1	0	0	109.9	K177	E175-K177 PolarHBondContact O-N 3.22Å
176	T	86.8	Confident	89.9	Confident	65 Å²	65	64.1 Å²	64.1	40%	0.399	32%	0.318	S	S	.	.			trans	-72.5	101.6	-171.7	-49.2	0	0	0	0	111.2	H174 R178 G490 Y491 C492	H174-T176 PolarHBondContact O-N 3.33Å; T176-R178 PolarHBondContact O-N 3.02Å; T176-G490 WeakPolarHBondContact CA-O 3.45Å; T176-Y491 VanDerWaalsContact CG2-C 3.43Å; T176-C492 HydrophobicContact CG2-CB 3.68Å
177	K	93.4	Very high	89.7	Confident	28 Å²	28	66.9 Å²	66.9	12%	0.122	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.6	130.3	174.3	-71.2	-172.2	173.6	-147	0	111.1	E175 E264 D274 F276 A277 G490 Y491 C492	E175-K177 PolarHBondContact O-N 3.22Å; K177-E264 WeakPolarHBondContact CD-OE1 3.16Å; K177-E264 IonicContact NZ-OE1 2.7Å; K177-D274 WeakPolarHBondContact CE-O 3.47Å; K177-D274 PolarHBondContact NZ-O 2.93Å; K177-F276 WeakPolarHBondContact CD-O 3.26Å; K177-F276 WeakPolarHBondContact CE-O 3.38Å; K177-F276 PolarHBondContact NZ-O 3.04Å; K177-A277 HydrophobicContact CB-CB 4.06Å; K177-G490 PolarHBondContact N-O 3.12Å; K177-Y491 CarbonylContact O-C 3.58Å; K177-Y491 VanDerWaalsContact O-CA 3.24Å; K177-Y491 WeakPolarHBondContact O-CA 3.24Å; K177-C492 PolarHBondContact O-N 3.43Å
178	R	94.3	Very high	89.7	Confident	149 Å²	149	72.7 Å²	72.7	56%	0.562	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.5	103.1	-180	-176.7	179.2	-61	-125.3	-4.4	111.3	T176 K180 A277 E494	T176-R178 PolarHBondContact O-N 3.02Å; R178-K180 HydrophobicContact CG-CG 4.49Å; R178-K180 PolarHBondContact O-N 3.25Å; R178-K180 VanDerWaalsContact O-N 3.15Å; R178-A277 WeakPolarHBondContact O-CB 3.33Å; R178-E494 HydrophobicContact CG-CB 4.22Å
179	R	96.1	Very high	89.8	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	106.4	166.4	-63.4	-167	175.1	155.7	7.5	108.9	E264 A277 L278 Y280 D439 Y491 C492 F493 E494	R179-E264 IonicContact CZ-OE2 2.71Å; R179-E264 VanDerWaalsContact CZ-OE2 3.29Å; R179-E264 IonicContact NE-OE2 3.83Å; R179-E264 PolarHBondContact NE-OE2 2.83Å; R179-E264 IonicContact NH2-OE1 2.68Å; R179-E264 IonicContact NH2-OE2 2.72Å; R179-E264 PolarHBondContact NH2-OE2 2.96Å; R179-A277 HydrophobicContact CG-CB 4.1Å; R179-L278 VanDerWaalsContact CB-O 3.29Å; R179-L278 WeakPolarHBondContact CB-O 3.39Å; R179-L278 WeakPolarHBondContact CD-O 3.4Å; R179-L278 WeakPolarHBondContact CG-O 3.39Å; R179-Y280 HydrophobicContact CB-CD1 4.37Å; R179-Y280 WeakPolarHBondContact O-CE1 3.35Å; R179-D439 IonicContact NH1-OD2 3.17Å; R179-D439 PolarHBondContact NH1-OD2 2.82Å; R179-Y491 HydrophobicContact CG-CD2 4.3Å; R179-C492 PolarHBondContact N-O 2.73Å; R179-F493 HydrophobicContact CB-CD1 3.79Å; R179-F493 HydrophobicContact CB-CE1 4.05Å; R179-F493 HydrophobicContact CG-CE1 4.46Å; R179-E494 WeakPolarHBondContact O-CB 3.15Å; R179-E494 PolarHBondContact O-N 2.91Å
180	K	93.2	Very high	89.6	Confident	46 Å²	46	67.6 Å²	67.6	20%	0.2	32%	0.318	C	S	.	.			trans	-75.8	156.6	176.5	-75	-176.3	161.6	-172.4	0	111.9	R178 H184 L185 E189 P279 Y280	R178-K180 HydrophobicContact CG-CG 4.49Å; R178-K180 PolarHBondContact O-N 3.25Å; R178-K180 VanDerWaalsContact O-N 3.15Å; K180-H184 PolarHBondContact NZ-O 3.25Å; K180-H184 VanDerWaalsContact NZ-O 3.15Å; K180-L185 HydrophobicContact CB-CD2 4.29Å; K180-L185 HydrophobicContact CD-CD2 4.22Å; K180-E189 VanDerWaalsContact CE-OE1 3.23Å; K180-E189 WeakPolarHBondContact CE-OE1 3.39Å; K180-E189 IonicContact NZ-OE1 3.42Å; K180-E189 PolarHBondContact NZ-OE1 3.2Å; K180-E189 IonicContact NZ-OE2 3.51Å; K180-E189 PolarHBondContact NZ-OE2 2.99Å; K180-P279 VanDerWaalsContact O-CA 3.32Å; K180-P279 WeakPolarHBondContact O-CA 3.39Å; K180-Y280 VanDerWaalsContact C-CE1 3.41Å; K180-Y280 WeakPolarHBondContact O-CD1 3.48Å; K180-Y280 WeakPolarHBondContact O-CE1 3.43Å; K180-Y280 PolarHBondContact O-N 2.78Å
181	W	88.7	Confident	89.3	Confident	33 Å²	33	72.4 Å²	72.4	13%	0.125	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-70.8	136.4	160.1	-172.6	43.8	0	0	0	108.4	Q183 H184 Y280 E494 I496	W181-Q183 HydrophobicContact CD2-CB 4.25Å; W181-Q183 HydrophobicContact CD2-CG 4.32Å; W181-Q183 HydrophobicContact CE3-CB 3.82Å; W181-Q183 HydrophobicContact CE3-CG 4.17Å; W181-Q183 HydrophobicContact CH2-CB 4.28Å; W181-Q183 HydrophobicContact CH2-CG 3.85Å; W181-Q183 HydrophobicContact CZ2-CG 4Å; W181-Q183 HydrophobicContact CZ3-CB 3.83Å; W181-Q183 HydrophobicContact CZ3-CG 3.93Å; W181-Q183 PolarHBondContact O-N 3.43Å; W181-H184 AromaticContact CE3-CE1 3.83Å; W181-H184 AromaticContact CE3-NE2 3.63Å; W181-H184 PolarHBondContact O-N 3.3Å; W181-Y280 HydrophobicContact CB-CE1 4.21Å; W181-Y280 HydrophobicContact CB-CE2 3.88Å; W181-Y280 AromaticContact CD1-CD2 3.83Å; W181-Y280 AromaticContact CD1-CE2 3.56Å; W181-Y280 AromaticContact CG-CE2 3.99Å; W181-Y280 HydrophobicContact CG-CE2 3.99Å; W181-E494 PolarHBondContact N-OE2 3.37Å; W181-I496 HydrophobicContact CB-CD1 4.22Å; W181-I496 HydrophobicContact CB-CG1 4.13Å; W181-I496 HydrophobicContact CD2-CD1 3.66Å; W181-I496 HydrophobicContact CD2-CG1 4.24Å; W181-I496 HydrophobicContact CE3-CD1 4.11Å; W181-I496 HydrophobicContact CE3-CG1 4.4Å; W181-I496 HydrophobicContact CE3-CG2 4.42Å; W181-I496 HydrophobicContact CG-CD1 3.72Å; W181-I496 HydrophobicContact CG-CG1 4.15Å
182	Y	84.1	Confident	89.3	Confident	8 Å²	8	70.3 Å²	70.3	3%	0.031	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-54.5	-30.8	-170.7	77.1	-86.4	0	0	0	114.6	H184 L185 Y280 W281 L290 M294	Y182-H184 VanDerWaalsContact C-N 3.26Å; Y182-H184 PolarHBondContact O-N 2.94Å; Y182-L185 WeakPolarHBondContact O-CB 3.49Å; Y182-L185 WeakPolarHBondContact O-CD1 3.5Å; Y182-L185 WeakPolarHBondContact O-CG 3.23Å; Y182-L185 PolarHBondContact O-N 2.92Å; Y182-Y280 PolarHBondContact N-O 3.22Å; Y182-W281 HydrophobicContact CD1-CB 4.1Å; Y182-W281 AromaticContact CD1-CD1 3.82Å; Y182-W281 HydrophobicContact CD1-CG 4.3Å; Y182-W281 AromaticContact CE1-CD1 3.52Å; Y182-W281 HydrophobicContact CE1-CG 4.41Å; Y182-L290 HydrophobicContact CD1-CD1 4.05Å; Y182-L290 HydrophobicContact CD2-CB 4.24Å; Y182-L290 HydrophobicContact CD2-CD1 3.39Å; Y182-L290 HydrophobicContact CD2-CG 4.33Å; Y182-L290 HydrophobicContact CE1-CD1 4.11Å; Y182-L290 HydrophobicContact CE2-CB 3.47Å; Y182-L290 VanDerWaalsContact CE2-CB 3.47Å; Y182-L290 HydrophobicContact CE2-CD1 3.46Å; Y182-L290 VanDerWaalsContact CE2-CD1 3.46Å; Y182-L290 HydrophobicContact CE2-CG 4.03Å; Y182-L290 HydrophobicContact CG-CD1 3.68Å; Y182-M294 HydrophobicContact CD2-CE 4.3Å
183	Q	80.1	Confident	89.2	Confident	54 Å²	54	64.7 Å²	64.7	25%	0.252	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-66.2	-29.2	178.8	-63.2	-162.1	-6.6	0	0	112.4	W181 L185 N287 S289 R293	W181-Q183 HydrophobicContact CD2-CB 4.25Å; W181-Q183 HydrophobicContact CD2-CG 4.32Å; W181-Q183 HydrophobicContact CE3-CB 3.82Å; W181-Q183 HydrophobicContact CE3-CG 4.17Å; W181-Q183 HydrophobicContact CH2-CB 4.28Å; W181-Q183 HydrophobicContact CH2-CG 3.85Å; W181-Q183 HydrophobicContact CZ2-CG 4Å; W181-Q183 HydrophobicContact CZ3-CB 3.83Å; W181-Q183 HydrophobicContact CZ3-CG 3.93Å; W181-Q183 PolarHBondContact O-N 3.43Å; Q183-L185 VanDerWaalsContact C-N 3.28Å; Q183-L185 PolarHBondContact O-N 3.03Å; Q183-N287 PolarHBondContact NE2-ND2 2.95Å; Q183-N287 VanDerWaalsContact NE2-ND2 3.13Å; Q183-S289 PolarHBondContact NE2-OG 2.88Å; Q183-R293 PolarHBondContact O-NH1 2.88Å
184	H	86.3	Confident	89.1	Confident	71 Å²	71	60.2 Å²	60.2	33%	0.329	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-85.8	7.9	-180	-53.8	159.4	0	0	0	114	K180 W181 Y182 G186 E494	K180-H184 PolarHBondContact NZ-O 3.25Å; K180-H184 VanDerWaalsContact NZ-O 3.15Å; W181-H184 AromaticContact CE3-CE1 3.83Å; W181-H184 AromaticContact CE3-NE2 3.63Å; W181-H184 PolarHBondContact O-N 3.3Å; Y182-H184 VanDerWaalsContact C-N 3.26Å; Y182-H184 PolarHBondContact O-N 2.94Å; H184-G186 PolarHBondContact O-N 3.29Å; H184-E494 IonicContact CE1-OE2 2.64Å; H184-E494 IonicContact CG-OE2 3.43Å; H184-E494 IonicContact ND1-OE2 2.8Å; H184-E494 PolarHBondContact ND1-OE2 3.46Å
185	L	87.7	Confident	89.5	Confident	15 Å²	15	62.3 Å²	62.3	8%	0.079	30%	0.304	C	S	.	.			trans	-71.9	119.5	168.9	-63.9	170.5	0	0	0	109.5	K180 Y182 Q183 E189 L193 P279 R293	K180-L185 HydrophobicContact CB-CD2 4.29Å; K180-L185 HydrophobicContact CD-CD2 4.22Å; Y182-L185 WeakPolarHBondContact O-CB 3.49Å; Y182-L185 WeakPolarHBondContact O-CD1 3.5Å; Y182-L185 WeakPolarHBondContact O-CG 3.23Å; Y182-L185 PolarHBondContact O-N 2.92Å; Q183-L185 VanDerWaalsContact C-N 3.28Å; Q183-L185 PolarHBondContact O-N 3.03Å; L185-E189 WeakPolarHBondContact CA-OE2 3.37Å; L185-E189 HydrophobicContact CB-CB 4.41Å; L185-E189 HydrophobicContact CD2-CB 3.87Å; L185-L193 HydrophobicContact CD1-CD2 4.28Å; L185-P279 HydrophobicContact CD1-CB 3.9Å; L185-P279 HydrophobicContact CD1-CG 3.86Å; L185-P279 HydrophobicContact CD2-CB 4.19Å; L185-P279 HydrophobicContact CG-CB 4.35Å; L185-R293 PolarHBondContact O-NH2 3.33Å
186	G	88.3	Confident	90	Very high	35 Å²	35	54.8 Å²	54.8	36%	0.361	27%	0.269	S	S	.	.			trans	-71.6	162.8	163.8	0	0	0	0	0	110.8	H184 Q188 E189 L190	H184-G186 PolarHBondContact O-N 3.29Å; G186-Q188 VanDerWaalsContact C-N 3.31Å; G186-Q188 PolarHBondContact O-N 2.9Å; G186-E189 PolarHBondContact N-OE2 2.93Å; G186-E189 WeakPolarHBondContact O-CB 3.15Å; G186-E189 PolarHBondContact O-N 2.87Å; G186-L190 PolarHBondContact O-N 3.08Å
187	D	87.7	Confident	90.2	Very high	117 Å²	117	51.8 Å²	51.8	63%	0.626	25%	0.251	S	S	*	.	H	α-helix	trans	-59.9	-40.3	-169.1	-51.5	-46.2	0	0	0	112.4	E189 L190 D191 R293	D187-E189 VanDerWaalsContact C-N 3.29Å; D187-E189 PolarHBondContact O-N 3.42Å; D187-L190 WeakPolarHBondContact O-CB 3.39Å; D187-L190 PolarHBondContact O-N 3.04Å; D187-L190 VanDerWaalsContact O-N 3.17Å; D187-D191 PolarHBondContact O-N 2.9Å; D187-R293 IonicContact OD1-NH2 3.84Å
188	Q	91.6	Very high	89.9	Confident	145 Å²	145	54.7 Å²	54.7	68%	0.678	26%	0.264	S	S	*	.	H	α-helix	trans	-60.4	-33.4	173.9	-174.1	-177.8	7.5	0	0	113.8	G186 Q192	G186-Q188 VanDerWaalsContact C-N 3.31Å; G186-Q188 PolarHBondContact O-N 2.9Å; Q188-Q192 WeakPolarHBondContact O-CG 3.37Å; Q188-Q192 PolarHBondContact O-N 2.71Å; Q188-Q192 VanDerWaalsContact O-N 3.09Å
189	E	92.2	Very high	89.8	Confident	70 Å²	70	50 Å²	50	33%	0.327	25%	0.25	S	S	.	.	H	α-helix	trans	-77.7	-33.3	178.5	-60.4	171.6	124.7	0	0	111	K180 L185 G186 D187 L193	K180-E189 VanDerWaalsContact CE-OE1 3.23Å; K180-E189 WeakPolarHBondContact CE-OE1 3.39Å; K180-E189 IonicContact NZ-OE1 3.42Å; K180-E189 PolarHBondContact NZ-OE1 3.2Å; K180-E189 IonicContact NZ-OE2 3.51Å; K180-E189 PolarHBondContact NZ-OE2 2.99Å; L185-E189 WeakPolarHBondContact CA-OE2 3.37Å; L185-E189 HydrophobicContact CB-CB 4.41Å; L185-E189 HydrophobicContact CD2-CB 3.87Å; G186-E189 PolarHBondContact N-OE2 2.93Å; G186-E189 WeakPolarHBondContact O-CB 3.15Å; G186-E189 PolarHBondContact O-N 2.87Å; D187-E189 VanDerWaalsContact C-N 3.29Å; D187-E189 PolarHBondContact O-N 3.42Å; E189-L193 WeakPolarHBondContact O-CB 3.42Å; E189-L193 PolarHBondContact O-N 3.22Å
190	L	88.8	Confident	89.6	Confident	19 Å²	19	50 Å²	50	10%	0.099	25%	0.25	C	S	.	.	H	α-helix	trans	-68.7	-43.3	172.3	-178.5	58.3	0	0	0	111.1	G186 D187 Q192 L193 I194	G186-L190 PolarHBondContact O-N 3.08Å; D187-L190 WeakPolarHBondContact O-CB 3.39Å; D187-L190 PolarHBondContact O-N 3.04Å; D187-L190 VanDerWaalsContact O-N 3.17Å; L190-Q192 VanDerWaalsContact C-N 3.35Å; L190-Q192 PolarHBondContact O-N 3.08Å; L190-L193 HydrophobicContact CD1-CD2 4.38Å; L190-L193 WeakPolarHBondContact O-CB 3.28Å; L190-L193 PolarHBondContact O-N 2.71Å; L190-I194 HydrophobicContact CD1-CD1 4.23Å; L190-I194 HydrophobicContact CD1-CG1 4.49Å; L190-I194 HydrophobicContact CG-CD1 3.96Å; L190-I194 WeakPolarHBondContact O-CD1 3.43Å; L190-I194 VanDerWaalsContact O-CG1 3.25Å; L190-I194 WeakPolarHBondContact O-CG1 3.44Å; L190-I194 PolarHBondContact O-N 2.72Å
191	D	89.7	Confident	89.3	Confident	102 Å²	102	49 Å²	49	55%	0.545	25%	0.247	S	C	.	.	H	α-helix	trans	-59	-44	173.4	-73.5	-22.9	0	0	0	111.5	D187 I194 Q195	D187-D191 PolarHBondContact O-N 2.9Å; D191-I194 PolarHBondContact O-N 3.29Å; D191-Q195 VanDerWaalsContact O-CB 3.26Å; D191-Q195 WeakPolarHBondContact O-CB 3.02Å; D191-Q195 PolarHBondContact O-N 3.31Å
192	Q	93	Very high	89.1	Confident	53 Å²	53	54.1 Å²	54.1	25%	0.248	27%	0.267	C	S	.	.	H	α-helix	trans	-64.9	-37.3	174.9	-78.8	-172	5.3	0	0	112.8	Q188 L190 Q195 A196 I271 N273	Q188-Q192 WeakPolarHBondContact O-CG 3.37Å; Q188-Q192 PolarHBondContact O-N 2.71Å; Q188-Q192 VanDerWaalsContact O-N 3.09Å; L190-Q192 VanDerWaalsContact C-N 3.35Å; L190-Q192 PolarHBondContact O-N 3.08Å; Q192-Q195 PolarHBondContact O-N 2.98Å; Q192-A196 VanDerWaalsContact O-CB 3.29Å; Q192-A196 WeakPolarHBondContact O-CB 3.41Å; Q192-A196 PolarHBondContact O-N 3.19Å; Q192-I271 HydrophobicContact CB-CD1 3.97Å; Q192-I271 HydrophobicContact CG-CD1 4.26Å; Q192-N273 PolarHBondContact OE1-ND2 2.86Å
193	L	92.2	Very high	89.5	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-62.4	-49.1	174.6	-175.2	69.8	0	0	0	111.1	L185 E189 L190 A196 F197 F276 L278 P279 F300 L433	L185-L193 HydrophobicContact CD1-CD2 4.28Å; E189-L193 WeakPolarHBondContact O-CB 3.42Å; E189-L193 PolarHBondContact O-N 3.22Å; L190-L193 HydrophobicContact CD1-CD2 4.38Å; L190-L193 WeakPolarHBondContact O-CB 3.28Å; L190-L193 PolarHBondContact O-N 2.71Å; L193-A196 PolarHBondContact O-N 3.16Å; L193-F197 HydrophobicContact CD1-CD2 4.15Å; L193-F197 HydrophobicContact CD1-CE2 3.81Å; L193-F197 HydrophobicContact CG-CD2 4.28Å; L193-F197 HydrophobicContact CG-CE2 4.3Å; L193-F197 WeakPolarHBondContact O-CD2 3.07Å; L193-F197 PolarHBondContact O-N 2.9Å; L193-F197 VanDerWaalsContact O-N 3.13Å; L193-F276 HydrophobicContact CD1-CE2 4.22Å; L193-F276 HydrophobicContact CD1-CZ 3.92Å; L193-L278 HydrophobicContact CD1-CD2 4.13Å; L193-P279 HydrophobicContact CD1-CG 3.98Å; L193-P279 HydrophobicContact CD2-CG 3.8Å; L193-F300 HydrophobicContact CD2-CZ 4.1Å; L193-L433 HydrophobicContact CD2-CD2 4.39Å
194	I	89.2	Confident	90	Very high	35 Å²	35	57.2 Å²	57.2	18%	0.179	29%	0.293	C	S	.	.	H	α-helix	trans	-59.5	-48.6	176.5	-65.6	156.7	0	0	0	109.9	L190 D191 A196 F197 H198 A297 L299 F300	L190-I194 HydrophobicContact CD1-CD1 4.23Å; L190-I194 HydrophobicContact CD1-CG1 4.49Å; L190-I194 HydrophobicContact CG-CD1 3.96Å; L190-I194 WeakPolarHBondContact O-CD1 3.43Å; L190-I194 VanDerWaalsContact O-CG1 3.25Å; L190-I194 WeakPolarHBondContact O-CG1 3.44Å; L190-I194 PolarHBondContact O-N 2.72Å; D191-I194 PolarHBondContact O-N 3.29Å; I194-A196 VanDerWaalsContact C-N 3.32Å; I194-A196 PolarHBondContact O-N 3.4Å; I194-F197 PolarHBondContact O-N 2.63Å; I194-H198 WeakPolarHBondContact O-CB 3.5Å; I194-H198 PolarHBondContact O-N 3.04Å; I194-A297 HydrophobicContact CD1-CB 3.51Å; I194-A297 HydrophobicContact CG1-CB 4.15Å; I194-L299 HydrophobicContact CG2-CB 4.03Å; I194-L299 HydrophobicContact CG2-CD2 4.1Å; I194-L299 WeakPolarHBondContact O-CD2 3.36Å; I194-F300 HydrophobicContact CG1-CD2 4.49Å; I194-F300 HydrophobicContact CG1-CE2 3.85Å
195	Q	91.4	Very high	90.3	Very high	104 Å²	104	53.9 Å²	53.9	49%	0.486	28%	0.277	S	S	.	.	H	α-helix	trans	-60.1	-40.8	178.9	-171.6	-178.7	37.8	0	0	112.2	D191 Q192 H198 L199 I271	D191-Q195 VanDerWaalsContact O-CB 3.26Å; D191-Q195 WeakPolarHBondContact O-CB 3.02Å; D191-Q195 PolarHBondContact O-N 3.31Å; Q192-Q195 PolarHBondContact O-N 2.98Å; Q195-H198 PolarHBondContact O-N 3.27Å; Q195-L199 HydrophobicContact CG-CD1 4.13Å; Q195-L199 HydrophobicContact CG-CG 4.49Å; Q195-L199 WeakPolarHBondContact O-CB 3.17Å; Q195-L199 VanDerWaalsContact O-CG 3.29Å; Q195-L199 WeakPolarHBondContact O-CG 3.24Å; Q195-L199 PolarHBondContact O-N 3.37Å; Q195-I271 HydrophobicContact CB-CG2 4.26Å; Q195-I271 HydrophobicContact CG-CG2 4.03Å
196	A	94.5	Very high	90.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.9	-46	179.9	0	0	0	0	0	112.2	Q192 L193 I194 L199 A200 L267 I271 F276	Q192-A196 VanDerWaalsContact O-CB 3.29Å; Q192-A196 WeakPolarHBondContact O-CB 3.41Å; Q192-A196 PolarHBondContact O-N 3.19Å; L193-A196 PolarHBondContact O-N 3.16Å; I194-A196 VanDerWaalsContact C-N 3.32Å; I194-A196 PolarHBondContact O-N 3.4Å; A196-L199 PolarHBondContact O-N 2.64Å; A196-A200 WeakPolarHBondContact O-CB 3.14Å; A196-A200 PolarHBondContact O-N 3.37Å; A196-L267 HydrophobicContact CB-CB 4.11Å; A196-L267 HydrophobicContact CB-CD2 3.94Å; A196-L267 HydrophobicContact CB-CG 4.49Å; A196-L267 WeakPolarHBondContact O-CD2 3.48Å; A196-I271 HydrophobicContact CB-CD1 4.47Å; A196-I271 HydrophobicContact CB-CG2 3.77Å; A196-F276 HydrophobicContact CB-CE2 4.39Å; A196-F276 HydrophobicContact CB-CZ 4.21Å
197	F	91	Very high	90.6	Very high	1 Å²	1	52.1 Å²	52.1	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-65.1	-43.1	174.9	-83.8	-78.3	0	0	0	112	L193 I194 L199 A200 E201 L226 F263 L267 L278 L299 P429 Y432 L433	L193-F197 HydrophobicContact CD1-CD2 4.15Å; L193-F197 HydrophobicContact CD1-CE2 3.81Å; L193-F197 HydrophobicContact CG-CD2 4.28Å; L193-F197 HydrophobicContact CG-CE2 4.3Å; L193-F197 WeakPolarHBondContact O-CD2 3.07Å; L193-F197 PolarHBondContact O-N 2.9Å; L193-F197 VanDerWaalsContact O-N 3.13Å; I194-F197 PolarHBondContact O-N 2.63Å; F197-L199 PolarHBondContact O-N 3.46Å; F197-A200 WeakPolarHBondContact O-CB 3.23Å; F197-A200 PolarHBondContact O-N 3.28Å; F197-A200 VanDerWaalsContact O-N 3.08Å; F197-E201 PolarHBondContact O-N 3.2Å; F197-L226 HydrophobicContact CD1-CD1 4.2Å; F197-L226 HydrophobicContact CE1-CD1 4.34Å; F197-F263 HydrophobicContact CD1-CZ 4.17Å; F197-F263 AromaticContact CE1-CE1 3.55Å; F197-F263 HydrophobicContact CE1-CE1 3.55Å; F197-F263 AromaticContact CE1-CZ 3.57Å; F197-F263 HydrophobicContact CE1-CZ 3.57Å; F197-F263 AromaticContact CZ-CE1 3.75Å; F197-F263 HydrophobicContact CZ-CE1 3.75Å; F197-F263 HydrophobicContact CZ-CZ 4.22Å; F197-L267 HydrophobicContact CE2-CD1 4.35Å; F197-L267 HydrophobicContact CZ-CD1 4.3Å; F197-L278 HydrophobicContact CE2-CD2 4.28Å; F197-L278 HydrophobicContact CZ-CD2 4.39Å; F197-L299 HydrophobicContact CB-CD2 3.62Å; F197-P429 HydrophobicContact CB-CG 4.28Å; F197-P429 HydrophobicContact CD1-CB 3.63Å; F197-P429 HydrophobicContact CD1-CG 3.68Å; F197-P429 HydrophobicContact CD2-CB 3.97Å; F197-P429 HydrophobicContact CE1-CB 3.63Å; F197-P429 HydrophobicContact CE1-CG 4.09Å; F197-P429 HydrophobicContact CE2-CB 3.98Å; F197-P429 HydrophobicContact CG-CB 3.8Å; F197-P429 HydrophobicContact CG-CG 3.95Å; F197-P429 HydrophobicContact CZ-CB 3.81Å; F197-Y432 AromaticContact CE1-CD2 3.79Å; F197-Y432 HydrophobicContact CE1-CD2 3.79Å; F197-Y432 HydrophobicContact CE1-CE2 4.27Å; F197-Y432 HydrophobicContact CE1-CG 4.23Å; F197-Y432 HydrophobicContact CZ-CD2 4.17Å; F197-Y432 HydrophobicContact CZ-CG 4.28Å; F197-L433 HydrophobicContact CE2-CD1 4.2Å; F197-L433 HydrophobicContact CZ-CD1 4.37Å
198	H	88	Confident	90.9	Very high	89 Å²	89	46.6 Å²	46.6	41%	0.412	23%	0.23	S	C	.	.	H	α-helix	trans	-59.7	-43.5	175.8	-179.4	-85.4	0	0	0	111.9	I194 Q195 A200 E201 Y202 L299	I194-H198 WeakPolarHBondContact O-CB 3.5Å; I194-H198 PolarHBondContact O-N 3.04Å; Q195-H198 PolarHBondContact O-N 3.27Å; H198-A200 VanDerWaalsContact C-N 3.32Å; H198-A200 PolarHBondContact O-N 2.8Å; H198-E201 PolarHBondContact O-N 3.26Å; H198-Y202 AromaticContact CD2-CE2 3.99Å; H198-Y202 AromaticContact CE1-CD2 3.92Å; H198-Y202 AromaticContact CE1-CE2 3.9Å; H198-Y202 AromaticContact NE2-CE2 3.58Å; H198-Y202 VanDerWaalsContact O-CD2 3.28Å; H198-Y202 WeakPolarHBondContact O-CD2 3.28Å; H198-L299 HydrophobicContact CB-CD1 3.93Å; H198-L299 HydrophobicContact CB-CD2 4.18Å
199	L	92.7	Very high	90.8	Very high	50 Å²	50	39.7 Å²	39.7	26%	0.262	20%	0.198	S	C	.	.	H	α-helix	trans	-64.1	-38.1	173.7	-72.7	172.1	0	0	0	111.8	Q195 A196 F197 E201 Y202 V203 L270 I271	Q195-L199 HydrophobicContact CG-CD1 4.13Å; Q195-L199 HydrophobicContact CG-CG 4.49Å; Q195-L199 WeakPolarHBondContact O-CB 3.17Å; Q195-L199 VanDerWaalsContact O-CG 3.29Å; Q195-L199 WeakPolarHBondContact O-CG 3.24Å; Q195-L199 PolarHBondContact O-N 3.37Å; A196-L199 PolarHBondContact O-N 2.64Å; F197-L199 PolarHBondContact O-N 3.46Å; L199-E201 VanDerWaalsContact C-N 3.27Å; L199-E201 PolarHBondContact O-N 3.46Å; L199-Y202 PolarHBondContact O-N 3.07Å; L199-V203 HydrophobicContact CB-CG2 4.41Å; L199-V203 HydrophobicContact CD2-CG2 4.29Å; L199-V203 VanDerWaalsContact O-CB 3.28Å; L199-V203 WeakPolarHBondContact O-CB 3.46Å; L199-V203 VanDerWaalsContact O-CG2 3.3Å; L199-V203 WeakPolarHBondContact O-CG2 3.46Å; L199-V203 PolarHBondContact O-N 3.26Å; L199-L270 HydrophobicContact CB-CB 4.12Å; L199-L270 HydrophobicContact CB-CD1 4.27Å; L199-L270 HydrophobicContact CB-CD2 4.48Å; L199-L270 HydrophobicContact CD1-CB 4.24Å; L199-I271 HydrophobicContact CD1-CG2 3.92Å
200	A	91.5	Very high	90.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65.5	-28.1	179.1	0	0	0	0	0	113.3	A196 F197 H198 T224 V225 L226 L267 L270	A196-A200 WeakPolarHBondContact O-CB 3.14Å; A196-A200 PolarHBondContact O-N 3.37Å; F197-A200 WeakPolarHBondContact O-CB 3.23Å; F197-A200 PolarHBondContact O-N 3.28Å; F197-A200 VanDerWaalsContact O-N 3.08Å; H198-A200 VanDerWaalsContact C-N 3.32Å; H198-A200 PolarHBondContact O-N 2.8Å; A200-T224 PolarHBondContact O-OG1 2.91Å; A200-V225 HydrophobicContact CB-CB 4.04Å; A200-V225 HydrophobicContact CB-CG1 4.25Å; A200-V225 PolarHBondContact O-N 2.96Å; A200-L226 HydrophobicContact CB-CB 4.09Å; A200-L226 WeakPolarHBondContact O-CB 3.38Å; A200-L226 PolarHBondContact O-N 3.1Å; A200-L267 HydrophobicContact CB-CD2 3.81Å; A200-L270 HydrophobicContact CB-CD1 3.78Å
201	E	86	Confident	90.5	Very high	27 Å²	27	35.7 Å²	35.7	13%	0.126	18%	0.179	C	C	.	.	H	α-helix	trans	-65.8	-36	174.1	-71.4	-164.7	171.7	0	0	113.5	F197 H198 L199 T224 L226 R306	F197-E201 PolarHBondContact O-N 3.2Å; H198-E201 PolarHBondContact O-N 3.26Å; L199-E201 VanDerWaalsContact C-N 3.27Å; L199-E201 PolarHBondContact O-N 3.46Å; E201-T224 WeakPolarHBondContact O-CB 3.49Å; E201-T224 WeakPolarHBondContact O-CG2 3.3Å; E201-T224 PolarHBondContact O-OG1 2.89Å; E201-L226 HydrophobicContact CG-CD2 3.76Å; E201-R306 IonicContact OE1-NH1 2.69Å; E201-R306 PolarHBondContact OE1-NH1 3.36Å; E201-R306 IonicContact OE2-CZ 2.63Å; E201-R306 IonicContact OE2-NH1 3.57Å; E201-R306 PolarHBondContact OE2-NH1 3.17Å; E201-R306 IonicContact OE2-NH2 3.56Å
202	Y	86.1	Confident	90.2	Very high	140 Å²	140	31.1 Å²	31.1	55%	0.549	16%	0.155	S	C	.	.	H	α-helix	trans	-111.6	-22.1	-169.8	-62	-72.8	0	0	0	114.9	H198 L199	H198-Y202 AromaticContact CD2-CE2 3.99Å; H198-Y202 AromaticContact CE1-CD2 3.92Å; H198-Y202 AromaticContact CE1-CE2 3.9Å; H198-Y202 AromaticContact NE2-CE2 3.58Å; H198-Y202 VanDerWaalsContact O-CD2 3.28Å; H198-Y202 WeakPolarHBondContact O-CD2 3.28Å; L199-Y202 PolarHBondContact O-N 3.07Å
203	V	91.7	Very high	89.5	Confident	59 Å²	59	31.6 Å²	31.6	36%	0.358	16%	0.158	S	C	.	.	S	Bend	trans	-85.9	126.1	-178.9	177.6	0	0	0	0	110.4	L199 S205 T224 V225 L270	L199-V203 HydrophobicContact CB-CG2 4.41Å; L199-V203 HydrophobicContact CD2-CG2 4.29Å; L199-V203 VanDerWaalsContact O-CB 3.28Å; L199-V203 WeakPolarHBondContact O-CB 3.46Å; L199-V203 VanDerWaalsContact O-CG2 3.3Å; L199-V203 WeakPolarHBondContact O-CG2 3.46Å; L199-V203 PolarHBondContact O-N 3.26Å; V203-S205 PolarHBondContact O-N 2.92Å; V203-T224 CarbonylContact O-C 3.47Å; V203-T224 WeakPolarHBondContact O-CA 3.4Å; V203-T224 WeakPolarHBondContact O-CB 3.07Å; V203-V225 PolarHBondContact O-N 3.39Å; V203-L270 HydrophobicContact CB-CD2 3.7Å; V203-L270 HydrophobicContact CG1-CD2 3.56Å; V203-L270 HydrophobicContact CG2-CD2 4.04Å
204	S	91.4	Very high	88.4	Confident	68 Å²	68	33.5 Å²	33.5	48%	0.476	17%	0.174	S	C	.	.	B	Isolated β-bridge	trans	-57.5	131.5	171.9	-65.2	0	0	0	0	112.3	L223	S204-L223 CarbonylContact C-O 3.41Å; S204-L223 WeakPolarHBondContact CA-O 3.41Å
205	S	91.4	Very high	87.5	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-63	147.5	169.6	-177.1	0	0	0	0	111.4	V203 Y207 Q222 L223	V203-S205 PolarHBondContact O-N 2.92Å; S205-Y207 PolarHBondContact O-N 2.69Å; S205-Y207 VanDerWaalsContact O-N 3.09Å; S205-Y207 PolarHBondContact OG-N 2.98Å; S205-Y207 VanDerWaalsContact OG-N 3.15Å; S205-Q222 PolarHBondContact O-NE2 2.97Å; S205-Q222 PolarHBondContact O-OE1 2.86Å; S205-L223 PolarHBondContact N-O 3.48Å
206	D	90	Very high	86.5	Confident	13 Å²	13	31.8 Å²	31.8	7%	0.07	18%	0.179	C	C	.	.	S	Bend	trans	-69.2	0.7	167.1	-73.5	-51.9	0	0	0	113.5	V69 R78	V69-D206 WeakPolarHBondContact CG1-OD2 3.16Å; R78-D206 WeakPolarHBondContact CB-O 3.44Å; R78-D206 IonicContact CZ-OD1 3.8Å; R78-D206 PolarHBondContact N-O 3.32Å; R78-D206 IonicContact NE-OD1 2.67Å; R78-D206 IonicContact NH2-OD1 2.95Å; R78-D206 PolarHBondContact NH2-OD1 3.32Å
207	Y	92.5	Very high	85.8	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.3	-176.9	-70.7	-100.2	0	0	0	111.5	I72 A74 V76 P77 Y156 S205	I72-Y207 HydrophobicContact CB-CD2 3.93Å; I72-Y207 HydrophobicContact CB-CE2 3.8Å; I72-Y207 HydrophobicContact CG2-CD2 3.96Å; I72-Y207 HydrophobicContact CG2-CE2 4.13Å; I72-Y207 WeakPolarHBondContact O-CE2 3.29Å; I72-Y207 PolarHBondContact O-OH 3.15Å; A74-Y207 HydrophobicContact CB-CD1 4.02Å; A74-Y207 HydrophobicContact CB-CD2 4.16Å; A74-Y207 HydrophobicContact CB-CG 3.72Å; A74-Y207 VanDerWaalsContact N-CE1 3.33Å; A74-Y207 WeakPolarHBondContact O-CD1 3.49Å; A74-Y207 WeakPolarHBondContact O-CE1 3.42Å; V76-Y207 VanDerWaalsContact C-CD1 3.43Å; V76-Y207 CarbonylContact O-C 3.6Å; V76-Y207 VanDerWaalsContact O-CA 3.26Å; V76-Y207 WeakPolarHBondContact O-CA 3.37Å; P77-Y207 HydrophobicContact CB-CD1 4.49Å; P77-Y207 HydrophobicContact CB-CE1 4.05Å; P77-Y207 HydrophobicContact CG-CD1 4.24Å; P77-Y207 HydrophobicContact CG-CE1 3.57Å; Y156-Y207 WeakPolarHBondContact CD1-OH 3.21Å; Y156-Y207 WeakPolarHBondContact CE1-OH 3.11Å; S205-Y207 PolarHBondContact O-N 2.69Å; S205-Y207 VanDerWaalsContact O-N 3.09Å; S205-Y207 PolarHBondContact OG-N 2.98Å; S205-Y207 VanDerWaalsContact OG-N 3.15Å
208	L	93.5	Very high	85.6	Confident	2 Å²	2	33.8 Å²	33.8	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	142.1	164.9	-57.1	-173.2	0	0	0	109.7	V76 A81 S82 E83 L220 Q222	V76-L208 HydrophobicContact CB-CB 4.45Å; V76-L208 PolarHBondContact N-O 2.96Å; V76-L208 PolarHBondContact O-N 2.93Å; A81-L208 HydrophobicContact CB-CD1 4.31Å; A81-L208 VanDerWaalsContact O-CD1 3.23Å; A81-L208 WeakPolarHBondContact O-CD1 3.34Å; S82-L208 WeakPolarHBondContact O-CD1 3.33Å; E83-L208 HydrophobicContact CG-CD1 4.41Å; E83-L208 HydrophobicContact CG-CD2 3.83Å; L208-L220 HydrophobicContact CB-CB 4.15Å; L208-L220 HydrophobicContact CD1-CB 4.18Å; L208-L220 HydrophobicContact CD1-CD1 4.48Å; L208-Q222 HydrophobicContact CD2-CB 4.12Å
209	T	90.5	Very high	85.6	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	121	-169.6	-43.6	0	0	0	0	109.3	Q75 M211 L220 K221 L223 H228 W231	Q75-T209 VanDerWaalsContact OE1-CG2 3.31Å; T209-M211 PolarHBondContact O-N 3.34Å; T209-L220 WeakPolarHBondContact O-CA 3.47Å; T209-K221 VanDerWaalsContact CB-O 3.26Å; T209-K221 WeakPolarHBondContact CB-O 3.44Å; T209-K221 PolarHBondContact N-O 3Å; T209-K221 PolarHBondContact O-N 3.45Å; T209-K221 VanDerWaalsContact O-N 3.16Å; T209-K221 PolarHBondContact OG1-O 3.24Å; T209-L223 HydrophobicContact CG2-CD1 3.57Å; T209-L223 HydrophobicContact CG2-CG 4.47Å; T209-L223 WeakPolarHBondContact OG1-CD1 3.49Å; T209-L223 VanDerWaalsContact OG1-CG 3.26Å; T209-L223 WeakPolarHBondContact OG1-CG 3.32Å; T209-H228 PolarHBondContact OG1-ND1 3.49Å; T209-W231 HydrophobicContact CG2-CB 4.19Å; T209-W231 HydrophobicContact CG2-CD2 4.45Å; T209-W231 HydrophobicContact CG2-CG 3.66Å
210	V	90.1	Very high	85.5	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	111.7	179.1	170.4	0	0	0	0	108.8	Q75 V76 V134 W138 V142 P212 I218 L220 W231	Q75-V210 HydrophobicContact CB-CB 4.42Å; Q75-V210 HydrophobicContact CB-CG2 3.98Å; V76-V210 HydrophobicContact CG2-CG2 3.57Å; V134-V210 HydrophobicContact CG1-CG1 4.47Å; W138-V210 HydrophobicContact CH2-CG2 4.46Å; W138-V210 HydrophobicContact CZ3-CG1 4.5Å; W138-V210 HydrophobicContact CZ3-CG2 4.28Å; V142-V210 HydrophobicContact CG1-CG2 4.48Å; V142-V210 HydrophobicContact CG2-CG1 4.05Å; V142-V210 HydrophobicContact CG2-CG2 4.16Å; V210-P212 WeakPolarHBondContact O-CD 3.4Å; V210-I218 HydrophobicContact CG1-CG2 3.84Å; V210-L220 HydrophobicContact CG2-CD2 3.76Å; V210-W231 PolarHBondContact O-NE1 3.35Å
211	M	85.2	Confident	85.4	Confident	4 Å²	4	31 Å²	31	2%	0.02	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	104.1	173.8	-78.5	-175.5	-67.8	0	0	111.5	T209 M213 I218 E219 K221 W231 W316 L320	T209-M211 PolarHBondContact O-N 3.34Å; M211-M213 PolarHBondContact O-N 3.19Å; M211-I218 WeakPolarHBondContact O-CA 3.41Å; M211-E219 HydrophobicContact CB-CB 4.19Å; M211-E219 HydrophobicContact CE-CB 4.15Å; M211-E219 HydrophobicContact CE-CG 3.75Å; M211-E219 WeakPolarHBondContact CE-OE2 3.41Å; M211-E219 PolarHBondContact N-O 3.3Å; M211-E219 PolarHBondContact O-N 2.64Å; M211-K221 HydrophobicContact CE-CB 3.36Å; M211-K221 HydrophobicContact CE-CD 3.89Å; M211-K221 HydrophobicContact CE-CG 4.17Å; M211-W231 HydrophobicContact CB-CZ2 4.23Å; M211-W231 HydrophobicContact CG-CH2 4.11Å; M211-W231 HydrophobicContact CG-CZ2 3.58Å; M211-W316 HydrophobicContact CE-CH2 4.33Å; M211-W316 HydrophobicContact CE-CZ3 3.94Å; M211-W316 HydrophobicContact SD-CE3 4.2Å; M211-W316 HydrophobicContact SD-CH2 3.76Å; M211-W316 HydrophobicContact SD-CZ3 3.3Å; M211-W316 WeakPolarHBondContact SD-CZ3 3.29Å; M211-L320 HydrophobicContact SD-CD2 4.11Å
212	P	82.6	Confident	85.6	Confident	6 Å²	6	31.3 Å²	31.3	4%	0.039	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	125	168.3	-20.8	35.3	0	0	0	110.5	L131 V134 V210 M235 F242	L131-P212 HydrophobicContact CD1-CB 3.51Å; L131-P212 HydrophobicContact CD2-CB 4.49Å; L131-P212 HydrophobicContact CG-CB 3.87Å; V134-P212 HydrophobicContact CB-CB 4.09Å; V134-P212 HydrophobicContact CB-CG 4.11Å; V134-P212 HydrophobicContact CG1-CB 4.06Å; V134-P212 HydrophobicContact CG1-CG 3.7Å; V134-P212 HydrophobicContact CG2-CB 4.15Å; V210-P212 WeakPolarHBondContact O-CD 3.4Å; P212-M235 HydrophobicContact CG-CE 4.2Å; P212-F242 HydrophobicContact CB-CE1 4.37Å; P212-F242 HydrophobicContact CB-CZ 4.36Å; P212-F242 HydrophobicContact CG-CE1 4.2Å; P212-F242 HydrophobicContact CG-CZ 4.01Å
213	M	77.1	Confident	85.7	Confident	63 Å²	63	24.8 Å²	24.8	31%	0.31	15%	0.154	S	C	.	.			trans	-97	153.2	176.3	-55	-179.3	79.1	0	0	110.7	L131 M211 S215 G216 S217 E219	L131-M213 WeakPolarHBondContact CD1-O 3.26Å; M211-M213 PolarHBondContact O-N 3.19Å; M213-S215 WeakPolarHBondContact CB-OG 3.45Å; M213-S215 PolarHBondContact O-N 2.88Å; M213-S215 VanDerWaalsContact O-N 3.08Å; M213-G216 PolarHBondContact O-N 3.17Å; M213-S217 WeakPolarHBondContact CB-O 3.35Å; M213-S217 PolarHBondContact N-O 3.07Å; M213-S217 PolarHBondContact SD-OG 2.9Å; M213-E219 HydrophobicContact SD-CB 4.29Å
214	A	69.6	Low	85.6	Confident	43 Å²	43	23.1 Å²	23.1	36%	0.355	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-24	179.2	0	0	0	0	0	114	P129 G216 M326	P129-A214 WeakPolarHBondContact CB-O 3.38Å; A214-G216 PolarHBondContact O-N 3.4Å; A214-M326 HydrophobicContact CB-SD 3.73Å
215	S	70.7	Confident	85.6	Confident	86 Å²	86	19.9 Å²	19.9	60%	0.601	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-13.6	170.3	41.7	0	0	0	0	114.7	M213 S217	M213-S215 WeakPolarHBondContact CB-OG 3.45Å; M213-S215 PolarHBondContact O-N 2.88Å; M213-S215 VanDerWaalsContact O-N 3.08Å; S215-S217 VanDerWaalsContact C-N 3.26Å; S215-S217 PolarHBondContact OG-OG 3.32Å
216	G	71.4	Confident	85.4	Confident	17 Å²	17	20.4 Å²	20.4	18%	0.175	12%	0.124	C	C	.	.	S	Bend	trans	78.8	3.9	-168	0	0	0	0	0	114.2	M213 A214	M213-G216 PolarHBondContact O-N 3.17Å; A214-G216 PolarHBondContact O-N 3.4Å
217	S	79.4	Confident	85.3	Confident	37 Å²	37	22.5 Å²	22.5	26%	0.259	13%	0.133	S	C	.	.			trans	-79.3	163.1	165.5	55.7	0	0	0	0	110.8	M213 S215	M213-S217 WeakPolarHBondContact CB-O 3.35Å; M213-S217 PolarHBondContact N-O 3.07Å; M213-S217 PolarHBondContact SD-OG 2.9Å; S215-S217 VanDerWaalsContact C-N 3.26Å; S215-S217 PolarHBondContact OG-OG 3.32Å
218	I	86.5	Confident	85.1	Confident	6 Å²	6	22.5 Å²	22.5	3%	0.031	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132	178.9	-59.2	176.6	0	0	0	107.8	L86 V134 V142 V210 M211 L220	L86-I218 HydrophobicContact CB-CB 4.13Å; L86-I218 HydrophobicContact CB-CG2 4.5Å; L86-I218 WeakPolarHBondContact CB-O 3.29Å; L86-I218 HydrophobicContact CD2-CB 4.37Å; L86-I218 HydrophobicContact CD2-CD1 4.39Å; L86-I218 HydrophobicContact CD2-CG2 4.47Å; L86-I218 PolarHBondContact N-O 3.45Å; V134-I218 HydrophobicContact CG1-CD1 3.53Å; V134-I218 HydrophobicContact CG1-CG1 3.88Å; V134-I218 HydrophobicContact CG2-CD1 4.26Å; V134-I218 HydrophobicContact CG2-CG1 4.15Å; V142-I218 HydrophobicContact CG2-CD1 3.73Å; V210-I218 HydrophobicContact CG1-CG2 3.84Å; M211-I218 WeakPolarHBondContact O-CA 3.41Å; I218-L220 HydrophobicContact CG2-CD2 4.34Å
219	E	87.8	Confident	85.1	Confident	22 Å²	22	22.4 Å²	22.4	10%	0.103	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	139.5	166.1	178.7	172.4	-147.8	0	0	109.4	G84 M211 M213 R319	G84-E219 WeakPolarHBondContact O-CA 3.3Å; M211-E219 HydrophobicContact CB-CB 4.19Å; M211-E219 HydrophobicContact CE-CB 4.15Å; M211-E219 HydrophobicContact CE-CG 3.75Å; M211-E219 WeakPolarHBondContact CE-OE2 3.41Å; M211-E219 PolarHBondContact N-O 3.3Å; M211-E219 PolarHBondContact O-N 2.64Å; M213-E219 HydrophobicContact SD-CB 4.29Å; E219-R319 IonicContact OE1-CZ 3.49Å; E219-R319 IonicContact OE1-NE 3.47Å; E219-R319 PolarHBondContact OE1-NE 3.15Å; E219-R319 IonicContact OE1-NH2 3.4Å; E219-R319 PolarHBondContact OE1-NH2 3.46Å; E219-R319 IonicContact OE2-CZ 3.51Å; E219-R319 IonicContact OE2-NE 3.82Å; E219-R319 PolarHBondContact OE2-NE 3.38Å; E219-R319 IonicContact OE2-NH2 2.75Å; E219-R319 PolarHBondContact OE2-NH2 3.35Å
220	L	91.5	Very high	84.9	Confident	4 Å²	4	23 Å²	23	2%	0.021	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	125.9	167.9	-61.1	-175.1	0	0	0	108.4	V76 A81 E83 G84 L86 V90 L208 T209 V210 I218	V76-L220 HydrophobicContact CB-CD2 4.41Å; V76-L220 HydrophobicContact CG1-CD1 4.24Å; V76-L220 HydrophobicContact CG2-CD2 3.97Å; A81-L220 HydrophobicContact CB-CD1 3.62Å; E83-L220 CarbonylContact C-O 3.59Å; E83-L220 VanDerWaalsContact CA-O 3.3Å; E83-L220 WeakPolarHBondContact CA-O 3.23Å; G84-L220 PolarHBondContact N-O 3.3Å; G84-L220 PolarHBondContact O-N 3.25Å; L86-L220 HydrophobicContact CD1-CD1 4.22Å; V90-L220 HydrophobicContact CG2-CD1 4.41Å; L208-L220 HydrophobicContact CB-CB 4.15Å; L208-L220 HydrophobicContact CD1-CB 4.18Å; L208-L220 HydrophobicContact CD1-CD1 4.48Å; T209-L220 WeakPolarHBondContact O-CA 3.47Å; V210-L220 HydrophobicContact CG2-CD2 3.76Å; I218-L220 HydrophobicContact CG2-CD2 4.34Å
221	K	89.1	Confident	84.8	Confident	53 Å²	53	23.2 Å²	23.2	23%	0.23	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	140.2	-179.3	-170.7	-156.2	163.5	-157.4	0	112.1	E83 T209 M211 L223 W316	E83-K221 WeakPolarHBondContact OE2-CA 3.13Å; T209-K221 VanDerWaalsContact CB-O 3.26Å; T209-K221 WeakPolarHBondContact CB-O 3.44Å; T209-K221 PolarHBondContact N-O 3Å; T209-K221 PolarHBondContact O-N 3.45Å; T209-K221 VanDerWaalsContact O-N 3.16Å; T209-K221 PolarHBondContact OG1-O 3.24Å; M211-K221 HydrophobicContact CE-CB 3.36Å; M211-K221 HydrophobicContact CE-CD 3.89Å; M211-K221 HydrophobicContact CE-CG 4.17Å; K221-L223 HydrophobicContact CD-CD2 3.93Å; K221-W316 HydrophobicContact CD-CH2 3.61Å; K221-W316 HydrophobicContact CD-CZ3 3.55Å; K221-W316 VanDerWaalsContact NZ-CH2 3.34Å
222	Q	89.5	Confident	85	Confident	35 Å²	35	23 Å²	23	16%	0.164	14%	0.136	C	C	.	.			trans	-69.5	134.3	170.1	-174.8	60.5	74.1	0	0	110.2	E83 S205 L208	E83-Q222 VanDerWaalsContact CD-N 3.25Å; E83-Q222 HydrophobicContact CG-CB 4.1Å; E83-Q222 WeakPolarHBondContact OE1-CB 3.3Å; E83-Q222 WeakPolarHBondContact OE2-CB 3.16Å; E83-Q222 PolarHBondContact OE2-N 3.35Å; S205-Q222 PolarHBondContact O-NE2 2.97Å; S205-Q222 PolarHBondContact O-OE1 2.86Å; L208-Q222 HydrophobicContact CD2-CB 4.12Å
223	L	88.4	Confident	85.3	Confident	3 Å²	3	23 Å²	23	2%	0.016	14%	0.135	C	C	.	.			trans	-134.6	166.7	174.3	-66.6	-176.7	0	0	0	111.3	S204 S205 T209 K221 E227 H228 W316	S204-L223 CarbonylContact C-O 3.41Å; S204-L223 WeakPolarHBondContact CA-O 3.41Å; S205-L223 PolarHBondContact N-O 3.48Å; T209-L223 HydrophobicContact CG2-CD1 3.57Å; T209-L223 HydrophobicContact CG2-CG 4.47Å; T209-L223 WeakPolarHBondContact OG1-CD1 3.49Å; T209-L223 VanDerWaalsContact OG1-CG 3.26Å; T209-L223 WeakPolarHBondContact OG1-CG 3.32Å; K221-L223 HydrophobicContact CD-CD2 3.93Å; L223-E227 HydrophobicContact CB-CB 3.89Å; L223-E227 HydrophobicContact CD1-CB 4.09Å; L223-E227 HydrophobicContact CD2-CB 4.4Å; L223-E227 WeakPolarHBondContact CD2-OE2 3.24Å; L223-E227 HydrophobicContact CG-CB 4.36Å; L223-H228 HydrophobicContact CB-CB 4.38Å; L223-W316 HydrophobicContact CD1-CH2 3.79Å; L223-W316 HydrophobicContact CD1-CZ2 3.53Å; L223-W316 HydrophobicContact CD2-CH2 3.42Å; L223-W316 VanDerWaalsContact CD2-CH2 3.42Å; L223-W316 HydrophobicContact CD2-CZ2 3.25Å; L223-W316 HydrophobicContact CG-CH2 4.1Å; L223-W316 HydrophobicContact CG-CZ2 4.03Å
224	T	89.2	Confident	85.6	Confident	23 Å²	23	22.6 Å²	22.6	14%	0.141	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-72.9	162.1	166.1	75.5	0	0	0	0	111	A200 E201 V203 L226 E227 H228	A200-T224 PolarHBondContact O-OG1 2.91Å; E201-T224 WeakPolarHBondContact O-CB 3.49Å; E201-T224 WeakPolarHBondContact O-CG2 3.3Å; E201-T224 PolarHBondContact O-OG1 2.89Å; V203-T224 CarbonylContact O-C 3.47Å; V203-T224 WeakPolarHBondContact O-CA 3.4Å; V203-T224 WeakPolarHBondContact O-CB 3.07Å; T224-L226 VanDerWaalsContact C-N 3.31Å; T224-L226 PolarHBondContact O-N 3.49Å; T224-E227 PolarHBondContact N-OE2 3.13Å; T224-E227 PolarHBondContact O-N 3.38Å; T224-E227 WeakPolarHBondContact OG1-CG 3.3Å; T224-H228 WeakPolarHBondContact O-CB 3.08Å; T224-H228 PolarHBondContact O-N 3.32Å
225	V	91.7	Very high	86.3	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-57.9	-45.6	-176.8	178.9	0	0	0	0	110.9	I72 A200 V203 H228 F229 A266 L270	I72-V225 HydrophobicContact CD1-CG2 4.05Å; A200-V225 HydrophobicContact CB-CB 4.04Å; A200-V225 HydrophobicContact CB-CG1 4.25Å; A200-V225 PolarHBondContact O-N 2.96Å; V203-V225 PolarHBondContact O-N 3.39Å; V225-H228 PolarHBondContact O-N 3.18Å; V225-F229 HydrophobicContact CG1-CD2 4.09Å; V225-F229 HydrophobicContact CG1-CE2 4.19Å; V225-F229 WeakPolarHBondContact O-CD2 3.16Å; V225-F229 PolarHBondContact O-N 2.92Å; V225-F229 VanDerWaalsContact O-N 3.15Å; V225-A266 HydrophobicContact CG1-CB 3.86Å; V225-L270 HydrophobicContact CB-CD1 4.23Å; V225-L270 HydrophobicContact CG1-CD1 4.29Å; V225-L270 HydrophobicContact CG2-CD1 4.07Å; V225-L270 HydrophobicContact CG2-CD2 4.34Å
226	L	88.2	Confident	87.2	Confident	11 Å²	11	17 Å²	17	6%	0.058	9%	0.089	C	C	.	.	H	α-helix	trans	-65.6	-47.4	-179.5	-168.4	69.4	0	0	0	111.4	F197 A200 E201 T224 H228 F229 I230 F263 Y432	F197-L226 HydrophobicContact CD1-CD1 4.2Å; F197-L226 HydrophobicContact CE1-CD1 4.34Å; A200-L226 HydrophobicContact CB-CB 4.09Å; A200-L226 WeakPolarHBondContact O-CB 3.38Å; A200-L226 PolarHBondContact O-N 3.1Å; E201-L226 HydrophobicContact CG-CD2 3.76Å; T224-L226 VanDerWaalsContact C-N 3.31Å; T224-L226 PolarHBondContact O-N 3.49Å; L226-H228 VanDerWaalsContact C-N 3.26Å; L226-H228 PolarHBondContact O-N 2.84Å; L226-F229 PolarHBondContact O-N 3.17Å; L226-I230 HydrophobicContact CD2-CD1 4.25Å; L226-I230 HydrophobicContact CG-CD1 3.78Å; L226-I230 HydrophobicContact CG-CG1 4.39Å; L226-I230 VanDerWaalsContact O-CG1 3.26Å; L226-I230 WeakPolarHBondContact O-CG1 3.37Å; L226-I230 PolarHBondContact O-N 3.02Å; L226-F263 HydrophobicContact CD1-CE2 4.18Å; L226-F263 HydrophobicContact CD1-CZ 3.82Å; L226-Y432 HydrophobicContact CD1-CE2 3.93Å
227	E	86.7	Confident	87.8	Confident	57 Å²	57	16.9 Å²	16.9	27%	0.266	9%	0.088	S	C	.	.	H	α-helix	trans	-54.2	-41.7	175	-77.7	-171.1	119.8	0	0	112.4	L223 T224 I230 W231	L223-E227 HydrophobicContact CB-CB 3.89Å; L223-E227 HydrophobicContact CD1-CB 4.09Å; L223-E227 HydrophobicContact CD2-CB 4.4Å; L223-E227 WeakPolarHBondContact CD2-OE2 3.24Å; L223-E227 HydrophobicContact CG-CB 4.36Å; T224-E227 PolarHBondContact N-OE2 3.13Å; T224-E227 PolarHBondContact O-N 3.38Å; T224-E227 WeakPolarHBondContact OG1-CG 3.3Å; E227-I230 PolarHBondContact O-N 2.9Å; E227-W231 WeakPolarHBondContact O-CB 3.37Å; E227-W231 PolarHBondContact O-N 3.09Å
228	H	89.3	Confident	87.8	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-65.6	-44.5	-179.7	-166.7	91.9	0	0	0	111.9	A74 Q75 T209 L223 T224 V225 L226 W231 M232	A74-H228 WeakPolarHBondContact CB-NE2 3.4Å; Q75-H228 PolarHBondContact N-NE2 3.41Å; T209-H228 PolarHBondContact OG1-ND1 3.49Å; L223-H228 HydrophobicContact CB-CB 4.38Å; T224-H228 WeakPolarHBondContact O-CB 3.08Å; T224-H228 PolarHBondContact O-N 3.32Å; V225-H228 PolarHBondContact O-N 3.18Å; L226-H228 VanDerWaalsContact C-N 3.26Å; L226-H228 PolarHBondContact O-N 2.84Å; H228-W231 WeakPolarHBondContact O-CB 3.35Å; H228-W231 PolarHBondContact O-N 3.06Å; H228-M232 VanDerWaalsContact CD2-SD 3.53Å; H228-M232 WeakPolarHBondContact O-CG 3.33Å; H228-M232 PolarHBondContact O-N 3.22Å
229	F	92	Very high	87.4	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-70.8	-36.3	177.1	-82.8	-93.2	0	0	0	112.3	V225 L226 W231 M232 Y233 F259 H262 F263 A266	V225-F229 HydrophobicContact CG1-CD2 4.09Å; V225-F229 HydrophobicContact CG1-CE2 4.19Å; V225-F229 WeakPolarHBondContact O-CD2 3.16Å; V225-F229 PolarHBondContact O-N 2.92Å; V225-F229 VanDerWaalsContact O-N 3.15Å; L226-F229 PolarHBondContact O-N 3.17Å; F229-W231 VanDerWaalsContact C-N 3.32Å; F229-W231 PolarHBondContact O-N 3.17Å; F229-M232 PolarHBondContact O-N 2.68Å; F229-Y233 WeakPolarHBondContact O-CB 3.49Å; F229-Y233 PolarHBondContact O-N 2.77Å; F229-F259 HydrophobicContact CB-CE2 4.16Å; F229-F259 HydrophobicContact CB-CZ 4.16Å; F229-F259 HydrophobicContact CD1-CD2 4.03Å; F229-F259 AromaticContact CD1-CE2 3.68Å; F229-F259 HydrophobicContact CD1-CE2 3.68Å; F229-F259 HydrophobicContact CD1-CZ 4.16Å; F229-F259 HydrophobicContact CG-CE2 4.41Å; F229-F259 WeakPolarHBondContact O-CE2 3.31Å; F229-F259 WeakPolarHBondContact O-CZ 3.3Å; F229-H262 HydrophobicContact CE1-CB 3.98Å; F229-H262 HydrophobicContact CZ-CB 4.04Å; F229-F263 HydrophobicContact CB-CD2 3.91Å; F229-F263 HydrophobicContact CB-CE2 4.15Å; F229-F263 HydrophobicContact CD1-CB 3.76Å; F229-F263 AromaticContact CD1-CD2 3.75Å; F229-F263 HydrophobicContact CD1-CD2 3.75Å; F229-F263 HydrophobicContact CD1-CG 4.1Å; F229-F263 AromaticContact CD2-CD2 3.66Å; F229-F263 HydrophobicContact CD2-CD2 3.66Å; F229-F263 HydrophobicContact CD2-CE2 4.24Å; F229-F263 HydrophobicContact CE1-CB 3.67Å; F229-F263 HydrophobicContact CE1-CD2 4.17Å; F229-F263 HydrophobicContact CE1-CG 4.39Å; F229-F263 HydrophobicContact CE2-CD2 4.07Å; F229-F263 HydrophobicContact CG-CB 4.39Å; F229-F263 AromaticContact CG-CD2 3.48Å; F229-F263 HydrophobicContact CG-CD2 3.48Å; F229-F263 VanDerWaalsContact CG-CD2 3.48Å; F229-F263 HydrophobicContact CG-CE2 4.15Å; F229-F263 HydrophobicContact CG-CG 4.28Å; F229-F263 HydrophobicContact CZ-CB 4.22Å; F229-F263 HydrophobicContact CZ-CD2 4.32Å; F229-A266 HydrophobicContact CE2-CB 4Å; F229-A266 HydrophobicContact CZ-CB 4.35Å
230	I	87.5	Confident	86.5	Confident	13 Å²	13	19 Å²	19	7%	0.067	11%	0.105	C	C	.	.	H	α-helix	trans	-58.5	-44.6	170.2	-68	162.8	0	0	0	110.4	L226 E227 Y233 H234 I312 E427 Y432	L226-I230 HydrophobicContact CD2-CD1 4.25Å; L226-I230 HydrophobicContact CG-CD1 3.78Å; L226-I230 HydrophobicContact CG-CG1 4.39Å; L226-I230 VanDerWaalsContact O-CG1 3.26Å; L226-I230 WeakPolarHBondContact O-CG1 3.37Å; L226-I230 PolarHBondContact O-N 3.02Å; E227-I230 PolarHBondContact O-N 2.9Å; I230-Y233 WeakPolarHBondContact O-CB 3.42Å; I230-Y233 PolarHBondContact O-N 3.46Å; I230-H234 PolarHBondContact O-CD2 2.89Å; I230-H234 VanDerWaalsContact O-CD2 3.31Å; I230-H234 PolarHBondContact O-N 3.27Å; I230-I312 HydrophobicContact CG2-CB 4.44Å; I230-I312 HydrophobicContact CG2-CD1 3.89Å; I230-E427 HydrophobicContact CD1-CB 4.22Å; I230-E427 HydrophobicContact CD1-CG 3.88Å; I230-E427 HydrophobicContact CG1-CG 4.3Å; I230-E427 HydrophobicContact CG2-CG 3.88Å; I230-Y432 WeakPolarHBondContact CG1-OH 3.24Å
231	W	86.6	Confident	85.7	Confident	4 Å²	4	19.3 Å²	19.3	2%	0.015	11%	0.107	C	C	.	.	H	α-helix	trans	-62	-50.9	177.4	176	-106.3	0	0	0	112.7	T209 V210 M211 E227 H228 F229 Y233 H234 M235 I312 L320 L323	T209-W231 HydrophobicContact CG2-CB 4.19Å; T209-W231 HydrophobicContact CG2-CD2 4.45Å; T209-W231 HydrophobicContact CG2-CG 3.66Å; V210-W231 PolarHBondContact O-NE1 3.35Å; M211-W231 HydrophobicContact CB-CZ2 4.23Å; M211-W231 HydrophobicContact CG-CH2 4.11Å; M211-W231 HydrophobicContact CG-CZ2 3.58Å; E227-W231 WeakPolarHBondContact O-CB 3.37Å; E227-W231 PolarHBondContact O-N 3.09Å; H228-W231 WeakPolarHBondContact O-CB 3.35Å; H228-W231 PolarHBondContact O-N 3.06Å; F229-W231 VanDerWaalsContact C-N 3.32Å; F229-W231 PolarHBondContact O-N 3.17Å; W231-Y233 PolarHBondContact O-N 3.15Å; W231-H234 PolarHBondContact O-N 2.62Å; W231-M235 HydrophobicContact CD2-CG 3.62Å; W231-M235 VanDerWaalsContact CE2-CG 3.42Å; W231-M235 HydrophobicContact CE3-CG 3.8Å; W231-M235 HydrophobicContact CE3-SD 4.24Å; W231-M235 HydrophobicContact CG-CG 4.31Å; W231-M235 HydrophobicContact CH2-CE 3.61Å; W231-M235 HydrophobicContact CH2-CG 3.69Å; W231-M235 HydrophobicContact CH2-SD 3.39Å; W231-M235 WeakPolarHBondContact CH2-SD 3.38Å; W231-M235 HydrophobicContact CZ2-CE 3.58Å; W231-M235 HydrophobicContact CZ2-CG 3.47Å; W231-M235 VanDerWaalsContact CZ2-CG 3.47Å; W231-M235 HydrophobicContact CZ2-SD 3.72Å; W231-M235 HydrophobicContact CZ3-CE 4.46Å; W231-M235 HydrophobicContact CZ3-CG 3.8Å; W231-M235 HydrophobicContact CZ3-SD 3.64Å; W231-M235 WeakPolarHBondContact O-CB 3.16Å; W231-M235 VanDerWaalsContact O-CG 3.31Å; W231-M235 WeakPolarHBondContact O-CG 3.43Å; W231-M235 PolarHBondContact O-N 3.2Å; W231-I312 HydrophobicContact CB-CD1 4.14Å; W231-I312 HydrophobicContact CE3-CD1 3.79Å; W231-L320 HydrophobicContact CE3-CD1 4.18Å; W231-L320 HydrophobicContact CH2-CD1 4.04Å; W231-L320 HydrophobicContact CH2-CD2 4.03Å; W231-L320 HydrophobicContact CZ3-CD1 3.42Å; W231-L320 VanDerWaalsContact CZ3-CD1 3.42Å; W231-L320 HydrophobicContact CZ3-CD2 4.28Å; W231-L323 HydrophobicContact CH2-CD2 3.74Å; W231-L323 HydrophobicContact CZ3-CD2 4.49Å
232	M	89.8	Confident	85.1	Confident	0 Å²	0	17 Å²	17	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-56.7	-40.6	176.4	-69.3	178.1	73.8	0	0	111.5	A74 Q75 H228 F229 A236 P472 F473	A74-M232 HydrophobicContact CB-SD 3.92Å; Q75-M232 HydrophobicContact CG-CE 4.43Å; Q75-M232 HydrophobicContact CG-CG 4.1Å; Q75-M232 HydrophobicContact CG-SD 4.26Å; H228-M232 VanDerWaalsContact CD2-SD 3.53Å; H228-M232 WeakPolarHBondContact O-CG 3.33Å; H228-M232 PolarHBondContact O-N 3.22Å; F229-M232 PolarHBondContact O-N 2.68Å; M232-A236 VanDerWaalsContact O-CB 3.31Å; M232-A236 WeakPolarHBondContact O-CB 3.28Å; M232-A236 PolarHBondContact O-N 2.92Å; M232-A236 VanDerWaalsContact O-N 3.08Å; M232-P472 HydrophobicContact CB-CG 4.35Å; M232-P472 HydrophobicContact CE-CG 4.2Å; M232-P472 HydrophobicContact CG-CG 4.14Å; M232-F473 HydrophobicContact CE-CD1 3.41Å; M232-F473 VanDerWaalsContact CE-CD1 3.41Å; M232-F473 HydrophobicContact CE-CE1 3.48Å; M232-F473 VanDerWaalsContact CE-CE1 3.48Å; M232-F473 HydrophobicContact CE-CG 3.96Å; M232-F473 HydrophobicContact CE-CZ 4.09Å
233	Y	89	Confident	84.4	Confident	5 Å²	5	18.2 Å²	18.2	2%	0.02	12%	0.119	C	C	.	.	H	α-helix	trans	-62.1	-55.3	176.5	-166.8	-98.6	0	0	0	111.9	F229 I230 W231 M235 G237 R247 W255 F259 A426 Y431 L435	F229-Y233 WeakPolarHBondContact O-CB 3.49Å; F229-Y233 PolarHBondContact O-N 2.77Å; I230-Y233 WeakPolarHBondContact O-CB 3.42Å; I230-Y233 PolarHBondContact O-N 3.46Å; W231-Y233 PolarHBondContact O-N 3.15Å; Y233-M235 PolarHBondContact O-N 3.31Å; Y233-G237 PolarHBondContact O-N 2.78Å; Y233-R247 VanDerWaalsContact CD1-NH2 3.32Å; Y233-R247 VanDerWaalsContact CE1-NH1 3.33Å; Y233-R247 PolarHBondContact O-NE 2.94Å; Y233-R247 PolarHBondContact O-NH2 3.45Å; Y233-R247 PolarHBondContact OH-NH1 3.22Å; Y233-W255 AromaticContact CD2-CH2 3.73Å; Y233-W255 HydrophobicContact CD2-CH2 3.73Å; Y233-W255 AromaticContact CD2-CZ3 3.7Å; Y233-W255 HydrophobicContact CD2-CZ3 3.7Å; Y233-W255 HydrophobicContact CE2-CH2 4.41Å; Y233-W255 AromaticContact CE2-CZ3 3.94Å; Y233-W255 HydrophobicContact CE2-CZ3 3.94Å; Y233-F259 HydrophobicContact CD2-CD1 4.29Å; Y233-F259 AromaticContact CD2-CE1 3.81Å; Y233-F259 HydrophobicContact CD2-CE1 3.81Å; Y233-F259 HydrophobicContact CD2-CE2 4.19Å; Y233-F259 AromaticContact CD2-CZ 3.75Å; Y233-F259 HydrophobicContact CD2-CZ 3.75Å; Y233-F259 HydrophobicContact CG-CZ 4.16Å; Y233-A426 HydrophobicContact CD1-CB 3.56Å; Y233-A426 HydrophobicContact CE1-CB 3.99Å; Y233-A426 HydrophobicContact CG-CB 4.29Å; Y233-Y431 AromaticContact CE1-CE1 3.66Å; Y233-Y431 HydrophobicContact CE1-CE1 3.66Å; Y233-Y431 AromaticContact CE1-CZ 3.92Å; Y233-Y431 HydrophobicContact CE2-CE1 4.06Å; Y233-Y431 AromaticContact CZ-CE1 3.4Å; Y233-Y431 AromaticContact CZ-CZ 3.88Å; Y233-Y431 WeakPolarHBondContact OH-CE1 3.41Å; Y233-Y431 PolarHBondContact OH-OH 2.82Å; Y233-L435 HydrophobicContact CD2-CD1 4.22Å; Y233-L435 HydrophobicContact CE2-CD1 3.66Å; Y233-L435 HydrophobicContact CE2-CD2 4.3Å
234	H	83.7	Confident	84	Confident	55 Å²	55	19.2 Å²	19.2	26%	0.255	13%	0.125	S	C	.	.	H	α-helix	trans	-59.9	-47.2	-179.9	-75.9	-58.3	0	0	0	111.9	I230 W231 A236 G237 A238 I312 E427	I230-H234 PolarHBondContact O-CD2 2.89Å; I230-H234 VanDerWaalsContact O-CD2 3.31Å; I230-H234 PolarHBondContact O-N 3.27Å; W231-H234 PolarHBondContact O-N 2.62Å; H234-A236 PolarHBondContact O-N 3.4Å; H234-G237 PolarHBondContact O-N 2.94Å; H234-G237 VanDerWaalsContact O-N 3.16Å; H234-A238 WeakPolarHBondContact O-CB 3.31Å; H234-A238 PolarHBondContact O-N 3.08Å; H234-I312 HydrophobicContact CB-CG2 4.34Å; H234-I312 WeakPolarHBondContact CD2-CG2 3.26Å; H234-E427 IonicContact CD2-OE1 3.24Å; H234-E427 IonicContact CE1-OE1 3.71Å; H234-E427 IonicContact NE2-OE1 3.62Å; H234-E427 PolarHBondContact NE2-OE1 2.88Å
235	M	84.1	Confident	83.8	Confident	11 Å²	11	18.1 Å²	18.1	5%	0.054	12%	0.119	C	C	.	.	H	α-helix	trans	-68.5	-37.4	-174.1	-65.3	-57.4	-80.9	0	0	114.2	P212 W231 Y233 G237 A238 F242 L323	P212-M235 HydrophobicContact CG-CE 4.2Å; W231-M235 HydrophobicContact CD2-CG 3.62Å; W231-M235 VanDerWaalsContact CE2-CG 3.42Å; W231-M235 HydrophobicContact CE3-CG 3.8Å; W231-M235 HydrophobicContact CE3-SD 4.24Å; W231-M235 HydrophobicContact CG-CG 4.31Å; W231-M235 HydrophobicContact CH2-CE 3.61Å; W231-M235 HydrophobicContact CH2-CG 3.69Å; W231-M235 HydrophobicContact CH2-SD 3.39Å; W231-M235 WeakPolarHBondContact CH2-SD 3.38Å; W231-M235 HydrophobicContact CZ2-CE 3.58Å; W231-M235 HydrophobicContact CZ2-CG 3.47Å; W231-M235 VanDerWaalsContact CZ2-CG 3.47Å; W231-M235 HydrophobicContact CZ2-SD 3.72Å; W231-M235 HydrophobicContact CZ3-CE 4.46Å; W231-M235 HydrophobicContact CZ3-CG 3.8Å; W231-M235 HydrophobicContact CZ3-SD 3.64Å; W231-M235 WeakPolarHBondContact O-CB 3.16Å; W231-M235 VanDerWaalsContact O-CG 3.31Å; W231-M235 WeakPolarHBondContact O-CG 3.43Å; W231-M235 PolarHBondContact O-N 3.2Å; Y233-M235 PolarHBondContact O-N 3.31Å; M235-G237 PolarHBondContact O-N 2.85Å; M235-A238 WeakPolarHBondContact O-CB 3.47Å; M235-A238 PolarHBondContact O-N 2.91Å; M235-A238 VanDerWaalsContact O-N 3.17Å; M235-F242 HydrophobicContact CE-CE2 3.57Å; M235-F242 HydrophobicContact CE-CZ 3.43Å; M235-F242 VanDerWaalsContact CE-CZ 3.43Å; M235-F242 HydrophobicContact SD-CE2 4.43Å; M235-L323 HydrophobicContact CE-CD2 3.92Å; M235-L323 HydrophobicContact SD-CD2 4.3Å
236	A	89.3	Confident	83.7	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-65.5	-25.4	174.9	0	0	0	0	0	113	M232 H234 G245 Y246 R247 W255	M232-A236 VanDerWaalsContact O-CB 3.31Å; M232-A236 WeakPolarHBondContact O-CB 3.28Å; M232-A236 PolarHBondContact O-N 2.92Å; M232-A236 VanDerWaalsContact O-N 3.08Å; H234-A236 PolarHBondContact O-N 3.4Å; A236-G245 CarbonylContact O-C 3.55Å; A236-Y246 PolarHBondContact O-N 2.85Å; A236-R247 HydrophobicContact CB-CB 4.16Å; A236-R247 HydrophobicContact CB-CG 3.99Å; A236-R247 PolarHBondContact O-N 3.04Å; A236-W255 HydrophobicContact CB-CH2 4.37Å; A236-W255 HydrophobicContact CB-CZ2 3.4Å
237	G	84.5	Confident	83.9	Confident	15 Å²	15	18.3 Å²	18.3	16%	0.155	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-2.4	176.7	0	0	0	0	0	113.7	Y233 H234 M235 E239	Y233-G237 PolarHBondContact O-N 2.78Å; H234-G237 PolarHBondContact O-N 2.94Å; H234-G237 VanDerWaalsContact O-N 3.16Å; M235-G237 PolarHBondContact O-N 2.85Å; G237-E239 PolarHBondContact O-N 3.38Å
238	A	79.1	Confident	84	Confident	21 Å²	21	16 Å²	16	17%	0.174	11%	0.108	C	C	.	.			trans	-83.6	51.4	-169.1	0	0	0	0	0	112.7	H234 M235 G240 C241 F242	H234-A238 WeakPolarHBondContact O-CB 3.31Å; H234-A238 PolarHBondContact O-N 3.08Å; M235-A238 WeakPolarHBondContact O-CB 3.47Å; M235-A238 PolarHBondContact O-N 2.91Å; M235-A238 VanDerWaalsContact O-N 3.17Å; A238-G240 PolarHBondContact O-N 3.15Å; A238-G240 VanDerWaalsContact O-N 3.16Å; A238-C241 HydrophobicContact CB-CB 4.41Å; A238-C241 VanDerWaalsContact CB-SG 3.56Å; A238-C241 WeakPolarHBondContact O-CA 3.46Å; A238-C241 WeakPolarHBondContact O-CB 3.46Å; A238-C241 PolarHBondContact O-N 2.91Å; A238-F242 HydrophobicContact CB-CD2 4.13Å; A238-F242 HydrophobicContact CB-CE2 4.13Å; A238-F242 WeakPolarHBondContact O-CD2 3.36Å; A238-F242 PolarHBondContact O-N 3.27Å
239	E	77.6	Confident	83.9	Confident	60 Å²	60	20.9 Å²	20.9	28%	0.28	13%	0.127	S	C	.	.	H	α-helix	trans	-50.5	-39.9	-177.9	-177.1	164.5	-177	0	0	113.3	G237 C241 F242 G243 N248 Y249	G237-E239 PolarHBondContact O-N 3.38Å; E239-C241 PolarHBondContact O-N 3.17Å; E239-F242 PolarHBondContact O-N 3.04Å; E239-G243 WeakPolarHBondContact O-CA 3.2Å; E239-G243 PolarHBondContact O-N 2.95Å; E239-N248 PolarHBondContact OE2-ND2 3.01Å; E239-Y249 WeakPolarHBondContact OE1-CE2 3.4Å; E239-Y249 PolarHBondContact OE1-OH 2.82Å; E239-Y249 WeakPolarHBondContact OE2-CE2 3.4Å; E239-Y249 PolarHBondContact OE2-OH 3.49Å
240	G	70.4	Confident	83.7	Confident	28 Å²	28	21.5 Å²	21.5	29%	0.289	13%	0.134	S	C	.	.	H	α-helix	trans	-61.4	-22	174.8	0	0	0	0	0	114.8	A238 Q330	A238-G240 PolarHBondContact O-N 3.15Å; A238-G240 VanDerWaalsContact O-N 3.16Å; G240-Q330 WeakPolarHBondContact O-CB 3.49Å; G240-Q330 PolarHBondContact O-NE2 3.17Å; G240-Q330 PolarHBondContact O-OE1 3.39Å
241	C	73.9	Confident	84	Confident	11 Å²	11	20.9 Å²	20.9	7%	0.074	13%	0.13	C	C	.	.	H	α-helix	trans	-90	-38.9	175.2	-39.2	0	0	0	0	112.7	L131 A238 E239 C327	L131-C241 HydrophobicContact CD2-CB 3.66Å; A238-C241 HydrophobicContact CB-CB 4.41Å; A238-C241 VanDerWaalsContact CB-SG 3.56Å; A238-C241 WeakPolarHBondContact O-CA 3.46Å; A238-C241 WeakPolarHBondContact O-CB 3.46Å; A238-C241 PolarHBondContact O-N 2.91Å; E239-C241 PolarHBondContact O-N 3.17Å; C241-C327 HydrophobicContact CB-CB 4.17Å; C241-C327 WeakPolarHBondContact CB-SG 3.46Å; C241-C327 WeakPolarHBondContact SG-CB 3.16Å; C241-C327 CovalentContact SG-SG 2.01Å; C241-C327 PolarHBondContact SG-SG 3.36Å
242	F	77	Confident	84.3	Confident	6 Å²	6	20.8 Å²	20.8	3%	0.026	13%	0.13	C	C	.	.	H	α-helix	trans	-105.2	-16.1	-166.4	-66.3	-72.6	0	0	0	114.5	L131 N132 L135 P212 M235 A238 E239 V244 Y246	L131-F242 HydrophobicContact CD2-CD1 4.05Å; L131-F242 HydrophobicContact CD2-CE1 3.43Å; L131-F242 VanDerWaalsContact CD2-CE1 3.43Å; L131-F242 HydrophobicContact CD2-CE2 4.14Å; L131-F242 HydrophobicContact CD2-CZ 3.46Å; L131-F242 VanDerWaalsContact CD2-CZ 3.46Å; L131-F242 HydrophobicContact CG-CD1 4.38Å; L131-F242 HydrophobicContact CG-CE1 3.7Å; L131-F242 HydrophobicContact CG-CZ 4.12Å; L131-F242 WeakPolarHBondContact O-CD1 3.34Å; L131-F242 WeakPolarHBondContact O-CE1 3.44Å; N132-F242 WeakPolarHBondContact CB-O 3.35Å; L135-F242 HydrophobicContact CB-CD1 3.8Å; L135-F242 HydrophobicContact CB-CE1 4.01Å; L135-F242 HydrophobicContact CB-CG 4.3Å; L135-F242 HydrophobicContact CD1-CD1 3.97Å; L135-F242 HydrophobicContact CD1-CD2 3.86Å; L135-F242 HydrophobicContact CD1-CE1 3.7Å; L135-F242 HydrophobicContact CD1-CE2 3.59Å; L135-F242 HydrophobicContact CD1-CG 4.07Å; L135-F242 HydrophobicContact CD1-CZ 3.52Å; L135-F242 HydrophobicContact CG-CD1 3.89Å; L135-F242 HydrophobicContact CG-CE1 3.58Å; L135-F242 HydrophobicContact CG-CE2 4.41Å; L135-F242 HydrophobicContact CG-CG 4.45Å; L135-F242 HydrophobicContact CG-CZ 3.88Å; P212-F242 HydrophobicContact CB-CE1 4.37Å; P212-F242 HydrophobicContact CB-CZ 4.36Å; P212-F242 HydrophobicContact CG-CE1 4.2Å; P212-F242 HydrophobicContact CG-CZ 4.01Å; M235-F242 HydrophobicContact CE-CE2 3.57Å; M235-F242 HydrophobicContact CE-CZ 3.43Å; M235-F242 VanDerWaalsContact CE-CZ 3.43Å; M235-F242 HydrophobicContact SD-CE2 4.43Å; A238-F242 HydrophobicContact CB-CD2 4.13Å; A238-F242 HydrophobicContact CB-CE2 4.13Å; A238-F242 WeakPolarHBondContact O-CD2 3.36Å; A238-F242 PolarHBondContact O-N 3.27Å; E239-F242 PolarHBondContact O-N 3.04Å; F242-V244 VanDerWaalsContact C-N 3.25Å; F242-Y246 HydrophobicContact CB-CE2 3.86Å; F242-Y246 HydrophobicContact CD2-CE2 4.48Å; F242-Y246 HydrophobicContact CG-CE2 4.13Å
243	G	74.3	Confident	84.6	Confident	59 Å²	59	20.9 Å²	20.9	61%	0.608	13%	0.131	S	C	*	.	S	Bend	trans	82	-4.8	-172.4	0	0	0	0	0	114.4	E239	E239-G243 WeakPolarHBondContact O-CA 3.2Å; E239-G243 PolarHBondContact O-N 2.95Å
244	V	80.9	Confident	85	Confident	25 Å²	25	20.7 Å²	20.7	15%	0.152	13%	0.13	C	C	.	.	S	Bend	trans	-140.3	133	175.9	-177	0	0	0	0	109.4	F242 Y246 A461 Q464	F242-V244 VanDerWaalsContact C-N 3.25Å; V244-Y246 HydrophobicContact CB-CD1 4.38Å; V244-Y246 HydrophobicContact CB-CE1 3.93Å; V244-Y246 HydrophobicContact CG1-CD1 3.97Å; V244-Y246 HydrophobicContact CG1-CE1 3.95Å; V244-Y246 PolarHBondContact O-N 3.16Å; V244-A461 HydrophobicContact CG1-CB 4.03Å; V244-A461 HydrophobicContact CG2-CB 4.3Å; V244-Q464 HydrophobicContact CG1-CG 4.02Å
245	G	84.7	Confident	85.6	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	12%	0.118	C	C	.	.			trans	-87.9	90.1	166.9	0	0	0	0	0	110.6	A236 R247 N248 Q464	A236-G245 CarbonylContact O-C 3.55Å; G245-R247 PolarHBondContact O-N 3.35Å; G245-N248 WeakPolarHBondContact O-CB 3.26Å; G245-N248 PolarHBondContact O-N 2.77Å; G245-Q464 PolarHBondContact O-NE2 2.9Å
246	Y	90.2	Very high	86.2	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-19.1	-175.7	-57.2	-72	0	0	0	115.2	L135 S136 A236 F242 V244 A251 R462 V471	L135-Y246 VanDerWaalsContact C-OH 3.25Å; L135-Y246 HydrophobicContact CB-CD2 4.45Å; L135-Y246 HydrophobicContact CB-CE2 3.54Å; L135-Y246 HydrophobicContact CD1-CD2 4.26Å; L135-Y246 HydrophobicContact CD1-CE2 3.93Å; L135-Y246 HydrophobicContact CG-CE2 4.4Å; S136-Y246 PolarHBondContact N-OH 3.13Å; S136-Y246 VanDerWaalsContact N-OH 3.13Å; A236-Y246 PolarHBondContact O-N 2.85Å; F242-Y246 HydrophobicContact CB-CE2 3.86Å; F242-Y246 HydrophobicContact CD2-CE2 4.48Å; F242-Y246 HydrophobicContact CG-CE2 4.13Å; V244-Y246 HydrophobicContact CB-CD1 4.38Å; V244-Y246 HydrophobicContact CB-CE1 3.93Å; V244-Y246 HydrophobicContact CG1-CD1 3.97Å; V244-Y246 HydrophobicContact CG1-CE1 3.95Å; V244-Y246 PolarHBondContact O-N 3.16Å; Y246-A251 VanDerWaalsContact O-CB 3.29Å; Y246-A251 WeakPolarHBondContact O-CB 3.37Å; Y246-R462 WeakPolarHBondContact CE1-O 3.33Å; Y246-V471 HydrophobicContact CD1-CB 3.84Å; Y246-V471 HydrophobicContact CD1-CG1 4.37Å; Y246-V471 HydrophobicContact CD1-CG2 3.71Å; Y246-V471 HydrophobicContact CD2-CB 4.32Å; Y246-V471 HydrophobicContact CD2-CG1 4.23Å; Y246-V471 HydrophobicContact CE1-CB 4.43Å; Y246-V471 HydrophobicContact CE1-CG2 4.07Å; Y246-V471 HydrophobicContact CE2-CG1 4.48Å; Y246-V471 HydrophobicContact CG-CB 3.76Å; Y246-V471 HydrophobicContact CG-CG1 4.17Å; Y246-V471 HydrophobicContact CG-CG2 4.19Å
247	R	92.1	Very high	86.6	Confident	14 Å²	14	17.7 Å²	17.7	5%	0.053	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	12.7	173.5	70.6	174.4	170.7	98.3	-8	114.8	Y233 A236 G245 L252 W255 F391	Y233-R247 VanDerWaalsContact CD1-NH2 3.32Å; Y233-R247 VanDerWaalsContact CE1-NH1 3.33Å; Y233-R247 PolarHBondContact O-NE 2.94Å; Y233-R247 PolarHBondContact O-NH2 3.45Å; Y233-R247 PolarHBondContact OH-NH1 3.22Å; A236-R247 HydrophobicContact CB-CB 4.16Å; A236-R247 HydrophobicContact CB-CG 3.99Å; A236-R247 PolarHBondContact O-N 3.04Å; G245-R247 PolarHBondContact O-N 3.35Å; R247-L252 WeakPolarHBondContact O-CA 3.3Å; R247-L252 VanDerWaalsContact O-CB 3.26Å; R247-L252 WeakPolarHBondContact O-CB 3.13Å; R247-L252 WeakPolarHBondContact O-CD1 3.48Å; R247-W255 HydrophobicContact CB-CB 3.99Å; R247-W255 HydrophobicContact CB-CD2 3.22Å; R247-W255 HydrophobicContact CB-CE3 3.55Å; R247-W255 HydrophobicContact CB-CG 3.35Å; R247-W255 HydrophobicContact CB-CZ2 4.32Å; R247-W255 HydrophobicContact CB-CZ3 4.26Å; R247-W255 HydrophobicContact CG-CD2 4.28Å; R247-W255 HydrophobicContact CG-CE3 4.33Å; R247-F391 HydrophobicContact CG-CZ 4.09Å
248	N	88.3	Confident	87.2	Confident	10 Å²	10	17 Å²	17	5%	0.053	11%	0.109	C	C	.	.	S	Bend	trans	-100.1	166.7	-177.7	-57.7	3.4	0	0	0	109.5	E239 G245 G250 A251 F391	E239-N248 PolarHBondContact OE2-ND2 3.01Å; G245-N248 WeakPolarHBondContact O-CB 3.26Å; G245-N248 PolarHBondContact O-N 2.77Å; N248-G250 PolarHBondContact O-N 2.91Å; N248-A251 WeakPolarHBondContact O-CB 3.48Å; N248-A251 PolarHBondContact O-N 3.28Å; N248-A251 VanDerWaalsContact O-N 3.13Å; N248-F391 VanDerWaalsContact OD1-CE1 3.29Å; N248-F391 WeakPolarHBondContact OD1-CE1 3.5Å; N248-F391 WeakPolarHBondContact OD1-CZ 3.23Å
249	Y	86.7	Confident	88.1	Confident	101 Å²	101	16 Å²	16	40%	0.396	10%	0.101	S	C	.	.	G	3₁₀ helix	trans	52.9	-135.8	174.6	-43	-78.3	0	0	0	112	E239 A251 L252 N387	E239-Y249 WeakPolarHBondContact OE1-CE2 3.4Å; E239-Y249 PolarHBondContact OE1-OH 2.82Å; E239-Y249 WeakPolarHBondContact OE2-CE2 3.4Å; E239-Y249 PolarHBondContact OE2-OH 3.49Å; Y249-A251 PolarHBondContact O-N 2.9Å; Y249-A251 VanDerWaalsContact O-N 3.07Å; Y249-L252 WeakPolarHBondContact O-CB 3.28Å; Y249-L252 PolarHBondContact O-N 3.46Å; Y249-L252 VanDerWaalsContact O-N 3.08Å; Y249-N387 VanDerWaalsContact N-CG 3.33Å; Y249-N387 PolarHBondContact N-OD1 3.42Å
250	G	88.6	Confident	89	Confident	13 Å²	13	13.1 Å²	13.1	13%	0.134	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-58.4	-16.1	178.1	0	0	0	0	0	116.6	N248 Y375	N248-G250 PolarHBondContact O-N 2.91Å; G250-Y375 WeakPolarHBondContact O-CE1 3.4Å; G250-Y375 VanDerWaalsContact O-CZ 3.3Å; G250-Y375 PolarHBondContact O-OH 3.07Å
251	A	92.6	Very high	90.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-82.5	-23.5	176.1	0	0	0	0	0	113	Y246 N248 Y249 T254 W255 Q464	Y246-A251 VanDerWaalsContact O-CB 3.29Å; Y246-A251 WeakPolarHBondContact O-CB 3.37Å; N248-A251 WeakPolarHBondContact O-CB 3.48Å; N248-A251 PolarHBondContact O-N 3.28Å; N248-A251 VanDerWaalsContact O-N 3.13Å; Y249-A251 PolarHBondContact O-N 2.9Å; Y249-A251 VanDerWaalsContact O-N 3.07Å; A251-T254 PolarHBondContact O-N 3.1Å; A251-T254 PolarHBondContact O-OG1 2.74Å; A251-W255 WeakPolarHBondContact O-CB 3.44Å; A251-W255 PolarHBondContact O-N 2.86Å; A251-Q464 HydrophobicContact CB-CB 3.95Å; A251-Q464 HydrophobicContact CB-CG 3.82Å
252	L	94.4	Very high	91.2	Very high	2 Å²	2	13 Å²	13	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-53.4	-50.9	-171.5	173.3	63.7	0	0	0	113.9	R247 Y249 T254 W255 N256 L386 N387 I390 F391	R247-L252 WeakPolarHBondContact O-CA 3.3Å; R247-L252 VanDerWaalsContact O-CB 3.26Å; R247-L252 WeakPolarHBondContact O-CB 3.13Å; R247-L252 WeakPolarHBondContact O-CD1 3.48Å; Y249-L252 WeakPolarHBondContact O-CB 3.28Å; Y249-L252 PolarHBondContact O-N 3.46Å; Y249-L252 VanDerWaalsContact O-N 3.08Å; L252-T254 PolarHBondContact O-N 2.84Å; L252-W255 PolarHBondContact O-N 3.09Å; L252-N256 HydrophobicContact CD1-CB 4.14Å; L252-N256 WeakPolarHBondContact O-CB 3.42Å; L252-N256 PolarHBondContact O-N 3.48Å; L252-L386 HydrophobicContact CD2-CB 4.08Å; L252-L386 WeakPolarHBondContact CD2-O 3.4Å; L252-N387 HydrophobicContact CD2-CB 4.24Å; L252-I390 HydrophobicContact CD1-CD1 3.66Å; L252-I390 HydrophobicContact CD2-CD1 3.76Å; L252-I390 HydrophobicContact CD2-CG1 4.34Å; L252-I390 HydrophobicContact CG-CD1 4.35Å; L252-F391 HydrophobicContact CD1-CE2 4.11Å; L252-F391 HydrophobicContact CD2-CE2 4.08Å
253	P	96	Very high	92.1	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.019	8%	0.077	C	C	.	.	H	α-helix	trans	-62.3	-42.8	-172.8	-23.4	34.3	0	0	0	113.4	R257 Y375 F382 A383 L386 F442	P253-R257 WeakPolarHBondContact O-CB 3.29Å; P253-R257 PolarHBondContact O-N 3.46Å; P253-Y375 HydrophobicContact CB-CE2 4.06Å; P253-Y375 WeakPolarHBondContact CD-OH 3.2Å; P253-Y375 HydrophobicContact CG-CE2 3.79Å; P253-Y375 WeakPolarHBondContact CG-OH 3.49Å; P253-F382 HydrophobicContact CG-CE1 4.48Å; P253-A383 HydrophobicContact CG-CB 3.64Å; P253-L386 HydrophobicContact CG-CD1 4.32Å; P253-F442 HydrophobicContact CB-CB 4.32Å; P253-F442 HydrophobicContact CB-CD1 3.63Å; P253-F442 HydrophobicContact CB-CD2 3.73Å; P253-F442 HydrophobicContact CB-CE1 3.76Å; P253-F442 HydrophobicContact CB-CE2 3.83Å; P253-F442 HydrophobicContact CB-CG 3.64Å; P253-F442 HydrophobicContact CB-CZ 3.86Å; P253-F442 WeakPolarHBondContact O-CD1 3.5Å; P253-F442 WeakPolarHBondContact O-CE1 3.45Å
254	T	96.5	Very high	93.1	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.006	5%	0.048	C	C	.	.	H	α-helix	trans	-78.4	-36.5	179	48.4	0	0	0	0	112.5	A251 L252 R257 A258 F442 H479 F482 F483	A251-T254 PolarHBondContact O-N 3.1Å; A251-T254 PolarHBondContact O-OG1 2.74Å; L252-T254 PolarHBondContact O-N 2.84Å; T254-R257 PolarHBondContact O-N 2.83Å; T254-A258 PolarHBondContact O-N 3.42Å; T254-F442 HydrophobicContact CG2-CE1 3.86Å; T254-F442 HydrophobicContact CG2-CZ 3.74Å; T254-H479 WeakPolarHBondContact CG2-O 3.21Å; T254-H479 PolarHBondContact OG1-ND1 3.33Å; T254-F482 HydrophobicContact CG2-CB 4.48Å; T254-F483 HydrophobicContact CG2-CB 4.06Å; T254-F483 HydrophobicContact CG2-CD2 3.89Å; T254-F483 HydrophobicContact CG2-CG 4.49Å
255	W	96.7	Very high	93.8	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-62.7	-48	173	-171.3	106.3	0	0	0	111.7	Y233 A236 R247 A251 L252 R257 A258 F259 I470 V471 F473	Y233-W255 AromaticContact CD2-CH2 3.73Å; Y233-W255 HydrophobicContact CD2-CH2 3.73Å; Y233-W255 AromaticContact CD2-CZ3 3.7Å; Y233-W255 HydrophobicContact CD2-CZ3 3.7Å; Y233-W255 HydrophobicContact CE2-CH2 4.41Å; Y233-W255 AromaticContact CE2-CZ3 3.94Å; Y233-W255 HydrophobicContact CE2-CZ3 3.94Å; A236-W255 HydrophobicContact CB-CH2 4.37Å; A236-W255 HydrophobicContact CB-CZ2 3.4Å; R247-W255 HydrophobicContact CB-CB 3.99Å; R247-W255 HydrophobicContact CB-CD2 3.22Å; R247-W255 HydrophobicContact CB-CE3 3.55Å; R247-W255 HydrophobicContact CB-CG 3.35Å; R247-W255 HydrophobicContact CB-CZ2 4.32Å; R247-W255 HydrophobicContact CB-CZ3 4.26Å; R247-W255 HydrophobicContact CG-CD2 4.28Å; R247-W255 HydrophobicContact CG-CE3 4.33Å; A251-W255 WeakPolarHBondContact O-CB 3.44Å; A251-W255 PolarHBondContact O-N 2.86Å; L252-W255 PolarHBondContact O-N 3.09Å; W255-R257 VanDerWaalsContact C-N 3.29Å; W255-R257 PolarHBondContact O-N 2.88Å; W255-A258 PolarHBondContact O-N 2.87Å; W255-F259 HydrophobicContact CE3-CB 3.91Å; W255-F259 HydrophobicContact CE3-CG 4.41Å; W255-F259 HydrophobicContact CH2-CB 3.85Å; W255-F259 HydrophobicContact CH2-CD1 4.37Å; W255-F259 AromaticContact CH2-CD2 3.26Å; W255-F259 HydrophobicContact CH2-CD2 3.26Å; W255-F259 AromaticContact CH2-CE2 3.81Å; W255-F259 HydrophobicContact CH2-CE2 3.81Å; W255-F259 AromaticContact CH2-CG 3.59Å; W255-F259 HydrophobicContact CH2-CG 3.59Å; W255-F259 HydrophobicContact CZ2-CD2 4.08Å; W255-F259 HydrophobicContact CZ3-CB 3.48Å; W255-F259 VanDerWaalsContact CZ3-CB 3.48Å; W255-F259 HydrophobicContact CZ3-CD1 4.06Å; W255-F259 AromaticContact CZ3-CD2 3.73Å; W255-F259 HydrophobicContact CZ3-CD2 3.73Å; W255-F259 HydrophobicContact CZ3-CE2 4.44Å; W255-F259 AromaticContact CZ3-CG 3.5Å; W255-F259 HydrophobicContact CZ3-CG 3.5Å; W255-F259 VanDerWaalsContact CZ3-CG 3.5Å; W255-F259 WeakPolarHBondContact O-CB 3.46Å; W255-F259 PolarHBondContact O-N 3.42Å; W255-I470 HydrophobicContact CB-CG2 4.08Å; W255-I470 HydrophobicContact CG-CG2 3.78Å; W255-V471 PolarHBondContact NE1-O 3.33Å; W255-F473 HydrophobicContact CD2-CE2 4.39Å; W255-F473 AromaticContact CE2-CE2 3.83Å; W255-F473 HydrophobicContact CZ2-CE2 4.09Å; W255-F473 HydrophobicContact CZ2-CZ 4.19Å; W255-F473 AromaticContact NE1-CE2 3.82Å
256	N	97.3	Very high	94.3	Very high	3 Å²	3	10.8 Å²	10.8	2%	0.016	5%	0.049	C	C	.	.	H	α-helix	trans	-59.9	-41.2	178.9	179.1	63.7	0	0	0	111.6	L252 F259 I260 L435	L252-N256 HydrophobicContact CD1-CB 4.14Å; L252-N256 WeakPolarHBondContact O-CB 3.42Å; L252-N256 PolarHBondContact O-N 3.48Å; N256-F259 PolarHBondContact O-N 3.44Å; N256-I260 WeakPolarHBondContact O-CG1 3.28Å; N256-I260 PolarHBondContact O-N 2.92Å; N256-L435 PolarHBondContact ND2-O 2.94Å; N256-L435 WeakPolarHBondContact OD1-CB 3.35Å; N256-L435 WeakPolarHBondContact OD1-CD2 3.33Å
257	R	97.6	Very high	94.5	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-62.9	-45.9	175.9	-179	173.2	-72.2	-175.7	-16.9	112.5	P253 T254 W255 F259 F261 D439 E443 F482 A484 L489 Y491	P253-R257 WeakPolarHBondContact O-CB 3.29Å; P253-R257 PolarHBondContact O-N 3.46Å; T254-R257 PolarHBondContact O-N 2.83Å; W255-R257 VanDerWaalsContact C-N 3.29Å; W255-R257 PolarHBondContact O-N 2.88Å; R257-F259 VanDerWaalsContact C-N 3.34Å; R257-F261 VanDerWaalsContact O-CB 3.25Å; R257-F261 WeakPolarHBondContact O-CB 3.2Å; R257-F261 PolarHBondContact O-N 3.18Å; R257-D439 IonicContact CZ-OD1 2.66Å; R257-D439 VanDerWaalsContact CZ-OD1 3.24Å; R257-D439 IonicContact NE-OD1 3.34Å; R257-D439 PolarHBondContact NE-OD1 2.75Å; R257-D439 IonicContact NH2-OD1 2.72Å; R257-D439 PolarHBondContact NH2-OD1 3.01Å; R257-E443 IonicContact NH2-OE2 2.82Å; R257-F482 HydrophobicContact CB-CD1 4.48Å; R257-F482 VanDerWaalsContact CD-O 3.28Å; R257-F482 WeakPolarHBondContact CD-O 3.3Å; R257-F482 HydrophobicContact CG-CB 4.37Å; R257-F482 HydrophobicContact CG-CD1 3.81Å; R257-F482 HydrophobicContact CG-CG 4.49Å; R257-F482 PolarHBondContact NH1-O 3.05Å; R257-A484 PolarHBondContact NH1-O 2.72Å; R257-L489 HydrophobicContact CG-CD1 4.41Å; R257-Y491 WeakPolarHBondContact CD-OH 3.39Å; R257-Y491 WeakPolarHBondContact CG-OH 3.45Å; R257-Y491 PolarHBondContact NE-OH 2.84Å
258	A	96.5	Very high	94.6	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-60.3	-45.1	175.2	0	0	0	0	0	111.4	T254 W255 F261 H262 I470 F473 F482	T254-A258 PolarHBondContact O-N 3.42Å; W255-A258 PolarHBondContact O-N 2.87Å; A258-F261 PolarHBondContact O-N 3.22Å; A258-H262 PolarHBondContact O-CD2 3.27Å; A258-H262 PolarHBondContact O-N 3.48Å; A258-I470 HydrophobicContact CB-CD1 3.72Å; A258-I470 HydrophobicContact CB-CG2 4.45Å; A258-F473 HydrophobicContact CB-CD2 4.47Å; A258-F473 HydrophobicContact CB-CE2 4.15Å; A258-F473 HydrophobicContact CB-CZ 4.38Å; A258-F482 HydrophobicContact CB-CD1 4.31Å; A258-F482 HydrophobicContact CB-CD2 3.7Å; A258-F482 HydrophobicContact CB-CE1 4.15Å; A258-F482 HydrophobicContact CB-CE2 3.5Å; A258-F482 HydrophobicContact CB-CG 4.07Å; A258-F482 HydrophobicContact CB-CZ 3.74Å
259	F	96.9	Very high	94.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-57.5	-51.4	177.5	-174.9	-105.4	0	0	0	112.7	F229 Y233 W255 N256 R257 H262 F263 Y432 L435 F473	F229-F259 HydrophobicContact CB-CE2 4.16Å; F229-F259 HydrophobicContact CB-CZ 4.16Å; F229-F259 HydrophobicContact CD1-CD2 4.03Å; F229-F259 AromaticContact CD1-CE2 3.68Å; F229-F259 HydrophobicContact CD1-CE2 3.68Å; F229-F259 HydrophobicContact CD1-CZ 4.16Å; F229-F259 HydrophobicContact CG-CE2 4.41Å; F229-F259 WeakPolarHBondContact O-CE2 3.31Å; F229-F259 WeakPolarHBondContact O-CZ 3.3Å; Y233-F259 HydrophobicContact CD2-CD1 4.29Å; Y233-F259 AromaticContact CD2-CE1 3.81Å; Y233-F259 HydrophobicContact CD2-CE1 3.81Å; Y233-F259 HydrophobicContact CD2-CE2 4.19Å; Y233-F259 AromaticContact CD2-CZ 3.75Å; Y233-F259 HydrophobicContact CD2-CZ 3.75Å; Y233-F259 HydrophobicContact CG-CZ 4.16Å; W255-F259 HydrophobicContact CE3-CB 3.91Å; W255-F259 HydrophobicContact CE3-CG 4.41Å; W255-F259 HydrophobicContact CH2-CB 3.85Å; W255-F259 HydrophobicContact CH2-CD1 4.37Å; W255-F259 AromaticContact CH2-CD2 3.26Å; W255-F259 HydrophobicContact CH2-CD2 3.26Å; W255-F259 AromaticContact CH2-CE2 3.81Å; W255-F259 HydrophobicContact CH2-CE2 3.81Å; W255-F259 AromaticContact CH2-CG 3.59Å; W255-F259 HydrophobicContact CH2-CG 3.59Å; W255-F259 HydrophobicContact CZ2-CD2 4.08Å; W255-F259 HydrophobicContact CZ3-CB 3.48Å; W255-F259 VanDerWaalsContact CZ3-CB 3.48Å; W255-F259 HydrophobicContact CZ3-CD1 4.06Å; W255-F259 AromaticContact CZ3-CD2 3.73Å; W255-F259 HydrophobicContact CZ3-CD2 3.73Å; W255-F259 HydrophobicContact CZ3-CE2 4.44Å; W255-F259 AromaticContact CZ3-CG 3.5Å; W255-F259 HydrophobicContact CZ3-CG 3.5Å; W255-F259 VanDerWaalsContact CZ3-CG 3.5Å; W255-F259 WeakPolarHBondContact O-CB 3.46Å; W255-F259 PolarHBondContact O-N 3.42Å; N256-F259 PolarHBondContact O-N 3.44Å; R257-F259 VanDerWaalsContact C-N 3.34Å; F259-H262 PolarHBondContact O-N 2.89Å; F259-F263 VanDerWaalsContact O-CB 3.27Å; F259-F263 WeakPolarHBondContact O-CB 3.32Å; F259-F263 PolarHBondContact O-N 3.44Å; F259-Y432 AromaticContact CE1-CD1 3.8Å; F259-Y432 HydrophobicContact CE1-CD1 3.8Å; F259-Y432 AromaticContact CE1-CE1 3.54Å; F259-Y432 HydrophobicContact CE1-CE1 3.54Å; F259-Y432 HydrophobicContact CZ-CD1 4.39Å; F259-Y432 AromaticContact CZ-CE1 3.67Å; F259-Y432 HydrophobicContact CZ-CE1 3.67Å; F259-L435 HydrophobicContact CD1-CD1 3.85Å; F259-L435 HydrophobicContact CE1-CD1 3.72Å; F259-F473 HydrophobicContact CB-CZ 3.82Å; F259-F473 HydrophobicContact CD2-CE1 4.48Å; F259-F473 AromaticContact CD2-CZ 3.99Å; F259-F473 HydrophobicContact CD2-CZ 3.99Å; F259-F473 HydrophobicContact CG-CZ 4.42Å
260	I	97.2	Very high	95.2	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-70.7	-32.8	179.9	-64.4	-59.7	0	0	0	112	N256 E264 L278 Y432 L435 T436	N256-I260 WeakPolarHBondContact O-CG1 3.28Å; N256-I260 PolarHBondContact O-N 2.92Å; I260-E264 WeakPolarHBondContact O-CB 3.36Å; I260-E264 PolarHBondContact O-N 3.37Å; I260-L278 HydrophobicContact CG2-CD1 4.04Å; I260-Y432 HydrophobicContact CD1-CD1 4.26Å; I260-L435 HydrophobicContact CD1-CB 3.72Å; I260-L435 HydrophobicContact CD1-CD1 4.17Å; I260-L435 HydrophobicContact CG1-CB 3.98Å; I260-T436 HydrophobicContact CG2-CG2 4.15Å; I260-T436 VanDerWaalsContact CG2-OG1 3.32Å; I260-T436 WeakPolarHBondContact CG2-OG1 3.39Å
261	F	95.5	Very high	95.6	Very high	35 Å²	35	9.1 Å²	9.1	15%	0.154	4%	0.044	C	C	.	.	H	α-helix	trans	-61.6	-49.4	172.5	179.1	-90.7	0	0	0	112	P163 R257 A258 K265 F482	P163-F261 HydrophobicContact CB-CE1 4.41Å; P163-F261 HydrophobicContact CB-CE2 3.92Å; P163-F261 HydrophobicContact CB-CZ 3.7Å; P163-F261 HydrophobicContact CG-CE1 3.99Å; P163-F261 HydrophobicContact CG-CE2 4.38Å; P163-F261 HydrophobicContact CG-CZ 3.76Å; R257-F261 VanDerWaalsContact O-CB 3.25Å; R257-F261 WeakPolarHBondContact O-CB 3.2Å; R257-F261 PolarHBondContact O-N 3.18Å; A258-F261 PolarHBondContact O-N 3.22Å; F261-K265 PolarHBondContact O-N 3.06Å; F261-F482 HydrophobicContact CB-CE1 4.07Å; F261-F482 HydrophobicContact CD1-CE1 4.27Å; F261-F482 HydrophobicContact CD1-CZ 4.36Å; F261-F482 HydrophobicContact CG-CE1 4.11Å
262	H	95	Very high	95.7	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.009	7%	0.074	C	C	.	.	H	α-helix	trans	-70.6	-36.2	179.8	-70.4	-52.5	0	0	0	112.9	Q73 F229 A258 F259 K265 A266 F473 Q477	Q73-H262 PolarHBondContact OE1-CE1 3.37Å; F229-H262 HydrophobicContact CE1-CB 3.98Å; F229-H262 HydrophobicContact CZ-CB 4.04Å; A258-H262 PolarHBondContact O-CD2 3.27Å; A258-H262 PolarHBondContact O-N 3.48Å; F259-H262 PolarHBondContact O-N 2.89Å; H262-K265 WeakPolarHBondContact O-CB 3.29Å; H262-K265 PolarHBondContact O-N 3.24Å; H262-A266 PolarHBondContact O-N 2.89Å; H262-F473 HydrophobicContact CB-CE1 4.33Å; H262-F473 AromaticContact CD2-CD1 3.43Å; H262-F473 VanDerWaalsContact CD2-CD1 3.43Å; H262-F473 WeakPolarHBondContact CD2-CD1 3.48Å; H262-F473 AromaticContact CD2-CE1 3.68Å; H262-Q477 PolarHBondContact CE1-OE1 2.77Å; H262-Q477 PolarHBondContact NE2-OE1 2.87Å
263	F	96	Very high	95.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-68.2	-42.2	176	-170.5	-123.8	0	0	0	111.7	F197 L226 F229 F259 K265 A266 L267 L278 Y432	F197-F263 HydrophobicContact CD1-CZ 4.17Å; F197-F263 AromaticContact CE1-CE1 3.55Å; F197-F263 HydrophobicContact CE1-CE1 3.55Å; F197-F263 AromaticContact CE1-CZ 3.57Å; F197-F263 HydrophobicContact CE1-CZ 3.57Å; F197-F263 AromaticContact CZ-CE1 3.75Å; F197-F263 HydrophobicContact CZ-CE1 3.75Å; F197-F263 HydrophobicContact CZ-CZ 4.22Å; L226-F263 HydrophobicContact CD1-CE2 4.18Å; L226-F263 HydrophobicContact CD1-CZ 3.82Å; F229-F263 HydrophobicContact CB-CD2 3.91Å; F229-F263 HydrophobicContact CB-CE2 4.15Å; F229-F263 HydrophobicContact CD1-CB 3.76Å; F229-F263 AromaticContact CD1-CD2 3.75Å; F229-F263 HydrophobicContact CD1-CD2 3.75Å; F229-F263 HydrophobicContact CD1-CG 4.1Å; F229-F263 AromaticContact CD2-CD2 3.66Å; F229-F263 HydrophobicContact CD2-CD2 3.66Å; F229-F263 HydrophobicContact CD2-CE2 4.24Å; F229-F263 HydrophobicContact CE1-CB 3.67Å; F229-F263 HydrophobicContact CE1-CD2 4.17Å; F229-F263 HydrophobicContact CE1-CG 4.39Å; F229-F263 HydrophobicContact CE2-CD2 4.07Å; F229-F263 HydrophobicContact CG-CB 4.39Å; F229-F263 AromaticContact CG-CD2 3.48Å; F229-F263 HydrophobicContact CG-CD2 3.48Å; F229-F263 VanDerWaalsContact CG-CD2 3.48Å; F229-F263 HydrophobicContact CG-CE2 4.15Å; F229-F263 HydrophobicContact CG-CG 4.28Å; F229-F263 HydrophobicContact CZ-CB 4.22Å; F229-F263 HydrophobicContact CZ-CD2 4.32Å; F259-F263 VanDerWaalsContact O-CB 3.27Å; F259-F263 WeakPolarHBondContact O-CB 3.32Å; F259-F263 PolarHBondContact O-N 3.44Å; F263-K265 VanDerWaalsContact C-N 3.31Å; F263-K265 PolarHBondContact O-N 3.25Å; F263-A266 PolarHBondContact O-N 3.35Å; F263-L267 HydrophobicContact CD1-CD1 3.85Å; F263-L267 HydrophobicContact CD1-CG 4.46Å; F263-L267 HydrophobicContact CD2-CG 4.46Å; F263-L267 HydrophobicContact CE1-CD1 3.51Å; F263-L267 HydrophobicContact CE1-CG 4.2Å; F263-L267 HydrophobicContact CE2-CD1 4.41Å; F263-L267 HydrophobicContact CE2-CD2 4.28Å; F263-L267 HydrophobicContact CE2-CG 4.21Å; F263-L267 HydrophobicContact CG-CD1 4.42Å; F263-L267 HydrophobicContact CZ-CD1 3.83Å; F263-L267 HydrophobicContact CZ-CD2 4.08Å; F263-L267 HydrophobicContact CZ-CG 4.08Å; F263-L267 WeakPolarHBondContact O-CB 3.09Å; F263-L267 WeakPolarHBondContact O-CG 3.47Å; F263-L267 PolarHBondContact O-N 3.03Å; F263-L278 HydrophobicContact CD1-CD1 3.78Å; F263-L278 HydrophobicContact CE1-CD1 4.48Å; F263-Y432 AromaticContact CD1-CD1 3.22Å; F263-Y432 HydrophobicContact CD1-CD1 3.22Å; F263-Y432 AromaticContact CD1-CE1 3.64Å; F263-Y432 HydrophobicContact CD1-CE1 3.64Å; F263-Y432 AromaticContact CD1-CG 3.87Å; F263-Y432 HydrophobicContact CD1-CG 3.87Å; F263-Y432 HydrophobicContact CD2-CE1 4.27Å; F263-Y432 AromaticContact CE1-CD1 3.16Å; F263-Y432 HydrophobicContact CE1-CD1 3.16Å; F263-Y432 AromaticContact CE1-CD2 3.99Å; F263-Y432 HydrophobicContact CE1-CD2 3.99Å; F263-Y432 AromaticContact CE1-CE1 3.48Å; F263-Y432 HydrophobicContact CE1-CE1 3.48Å; F263-Y432 VanDerWaalsContact CE1-CE1 3.48Å; F263-Y432 HydrophobicContact CE1-CE2 4.27Å; F263-Y432 AromaticContact CE1-CG 3.42Å; F263-Y432 HydrophobicContact CE1-CG 3.42Å; F263-Y432 VanDerWaalsContact CE1-CG 3.42Å; F263-Y432 HydrophobicContact CE2-CE1 4.14Å; F263-Y432 HydrophobicContact CG-CD1 4.01Å; F263-Y432 HydrophobicContact CG-CE1 4.04Å; F263-Y432 AromaticContact CZ-CD1 3.93Å; F263-Y432 HydrophobicContact CZ-CD1 3.93Å; F263-Y432 HydrophobicContact CZ-CD2 4.41Å; F263-Y432 AromaticContact CZ-CE1 3.75Å; F263-Y432 HydrophobicContact CZ-CE1 3.75Å; F263-Y432 HydrophobicContact CZ-CE2 4.29Å; F263-Y432 HydrophobicContact CZ-CG 4.23Å; F263-Y432 AromaticContact CZ-CZ 3.94Å
264	E	96.5	Very high	95.3	Very high	3 Å²	3	23.4 Å²	23.4	1%	0.014	11%	0.108	C	C	.	.	H	α-helix	trans	-59.5	-40.1	171.8	-176	-176.9	95.3	0	0	112	K177 R179 I260 A268 F276 A277 L278	K177-E264 WeakPolarHBondContact CD-OE1 3.16Å; K177-E264 IonicContact NZ-OE1 2.7Å; R179-E264 IonicContact CZ-OE2 2.71Å; R179-E264 VanDerWaalsContact CZ-OE2 3.29Å; R179-E264 IonicContact NE-OE2 3.83Å; R179-E264 PolarHBondContact NE-OE2 2.83Å; R179-E264 IonicContact NH2-OE1 2.68Å; R179-E264 IonicContact NH2-OE2 2.72Å; R179-E264 PolarHBondContact NH2-OE2 2.96Å; I260-E264 WeakPolarHBondContact O-CB 3.36Å; I260-E264 PolarHBondContact O-N 3.37Å; E264-A268 WeakPolarHBondContact O-CB 3.33Å; E264-A268 PolarHBondContact O-N 2.95Å; E264-F276 HydrophobicContact CG-CD1 4.37Å; E264-A277 WeakPolarHBondContact OE2-CA 3.09Å; E264-L278 HydrophobicContact CB-CD1 3.96Å; E264-L278 HydrophobicContact CB-CG 4.18Å; E264-L278 HydrophobicContact CG-CG 4.37Å; E264-L278 PolarHBondContact OE2-N 3.09Å
265	K	94	Very high	95	Very high	40 Å²	40	27.7 Å²	27.7	17%	0.174	13%	0.134	C	C	.	.	H	α-helix	trans	-60.8	-50.3	174.4	-166.7	-157.4	178.6	-159.9	0	111.1	D71 E160 F261 H262 F263 L267 A268 Q269	D71-K265 PolarHBondContact O-NZ 2.87Å; E160-K265 IonicContact OE1-NZ 2.81Å; E160-K265 PolarHBondContact OE1-NZ 3.08Å; E160-K265 IonicContact OE2-NZ 3.29Å; E160-K265 PolarHBondContact OE2-NZ 3.43Å; F261-K265 PolarHBondContact O-N 3.06Å; H262-K265 WeakPolarHBondContact O-CB 3.29Å; H262-K265 PolarHBondContact O-N 3.24Å; F263-K265 VanDerWaalsContact C-N 3.31Å; F263-K265 PolarHBondContact O-N 3.25Å; K265-L267 PolarHBondContact O-N 3.36Å; K265-A268 PolarHBondContact O-N 3.41Å; K265-Q269 VanDerWaalsContact O-CG 3.27Å; K265-Q269 WeakPolarHBondContact O-CG 3.22Å; K265-Q269 PolarHBondContact O-N 2.96Å; K265-Q269 PolarHBondContact O-OE1 3.15Å
266	A	94.8	Very high	94.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.4	-44.6	-179.7	0	0	0	0	0	112.1	I72 V225 F229 H262 F263 Q269 L270	I72-A266 HydrophobicContact CG1-CB 4.27Å; I72-A266 HydrophobicContact CG2-CB 4.08Å; V225-A266 HydrophobicContact CG1-CB 3.86Å; F229-A266 HydrophobicContact CE2-CB 4Å; F229-A266 HydrophobicContact CZ-CB 4.35Å; H262-A266 PolarHBondContact O-N 2.89Å; F263-A266 PolarHBondContact O-N 3.35Å; A266-Q269 PolarHBondContact O-N 2.65Å; A266-L270 WeakPolarHBondContact O-CG 2.93Å; A266-L270 PolarHBondContact O-N 2.96Å
267	L	95.8	Very high	94.8	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.4	-44.9	175.4	-70.4	178.4	0	0	0	112.3	A196 F197 A200 F263 K265 Q269 L270 I271 F276 L278	A196-L267 HydrophobicContact CB-CB 4.11Å; A196-L267 HydrophobicContact CB-CD2 3.94Å; A196-L267 HydrophobicContact CB-CG 4.49Å; A196-L267 WeakPolarHBondContact O-CD2 3.48Å; F197-L267 HydrophobicContact CE2-CD1 4.35Å; F197-L267 HydrophobicContact CZ-CD1 4.3Å; A200-L267 HydrophobicContact CB-CD2 3.81Å; F263-L267 HydrophobicContact CD1-CD1 3.85Å; F263-L267 HydrophobicContact CD1-CG 4.46Å; F263-L267 HydrophobicContact CD2-CG 4.46Å; F263-L267 HydrophobicContact CE1-CD1 3.51Å; F263-L267 HydrophobicContact CE1-CG 4.2Å; F263-L267 HydrophobicContact CE2-CD1 4.41Å; F263-L267 HydrophobicContact CE2-CD2 4.28Å; F263-L267 HydrophobicContact CE2-CG 4.21Å; F263-L267 HydrophobicContact CG-CD1 4.42Å; F263-L267 HydrophobicContact CZ-CD1 3.83Å; F263-L267 HydrophobicContact CZ-CD2 4.08Å; F263-L267 HydrophobicContact CZ-CG 4.08Å; F263-L267 WeakPolarHBondContact O-CB 3.09Å; F263-L267 WeakPolarHBondContact O-CG 3.47Å; F263-L267 PolarHBondContact O-N 3.03Å; K265-L267 PolarHBondContact O-N 3.36Å; L267-Q269 VanDerWaalsContact C-N 3.3Å; L267-Q269 PolarHBondContact O-N 3.44Å; L267-L270 HydrophobicContact CD2-CD1 4.45Å; L267-L270 PolarHBondContact O-N 2.88Å; L267-I271 PolarHBondContact O-N 2.73Å; L267-F276 HydrophobicContact CB-CD1 4.18Å; L267-F276 HydrophobicContact CB-CE1 3.58Å; L267-F276 HydrophobicContact CB-CZ 4.26Å; L267-F276 HydrophobicContact CD1-CE1 4.05Å; L267-F276 HydrophobicContact CD1-CZ 4.31Å; L267-L278 HydrophobicContact CD1-CD1 4.28Å; L267-L278 HydrophobicContact CD1-CD2 3.77Å; L267-L278 HydrophobicContact CD1-CG 4.25Å
268	A	94.6	Very high	94.7	Very high	3 Å²	3	29 Å²	29	3%	0.025	14%	0.143	C	C	.	.	H	α-helix	trans	-58.4	-40.8	175.7	0	0	0	0	0	112.3	E264 K265 R272 N273 F276	E264-A268 WeakPolarHBondContact O-CB 3.33Å; E264-A268 PolarHBondContact O-N 2.95Å; K265-A268 PolarHBondContact O-N 3.41Å; A268-R272 WeakPolarHBondContact O-CA 3.31Å; A268-R272 PolarHBondContact O-N 2.99Å; A268-N273 WeakPolarHBondContact CB-O 3.2Å; A268-N273 PolarHBondContact O-N 2.86Å; A268-F276 HydrophobicContact CB-CB 3.96Å; A268-F276 HydrophobicContact CB-CD1 4.11Å; A268-F276 HydrophobicContact CB-CG 4.48Å
269	Q	92.3	Very high	94.7	Very high	43 Å²	43	29.1 Å²	29.1	20%	0.201	14%	0.144	C	C	.	.	H	α-helix	trans	-65.9	-40.7	177.2	-72.2	168.8	-51.6	0	0	112.1	R70 D71 K265 A266 L267 R272	R70-Q269 PolarHBondContact O-NE2 3.28Å; D71-Q269 PolarHBondContact O-NE2 3.5Å; K265-Q269 VanDerWaalsContact O-CG 3.27Å; K265-Q269 WeakPolarHBondContact O-CG 3.22Å; K265-Q269 PolarHBondContact O-N 2.96Å; K265-Q269 PolarHBondContact O-OE1 3.15Å; A266-Q269 PolarHBondContact O-N 2.65Å; L267-Q269 VanDerWaalsContact C-N 3.3Å; L267-Q269 PolarHBondContact O-N 3.44Å; Q269-R272 PolarHBondContact O-N 2.98Å
270	L	95.2	Very high	94.5	Very high	31 Å²	31	29.1 Å²	29.1	16%	0.162	14%	0.144	C	C	.	.	H	α-helix	trans	-61.2	-46.8	178.6	-72.2	169.5	0	0	0	112.7	L199 A200 V203 V225 A266 L267 R272	L199-L270 HydrophobicContact CB-CB 4.12Å; L199-L270 HydrophobicContact CB-CD1 4.27Å; L199-L270 HydrophobicContact CB-CD2 4.48Å; L199-L270 HydrophobicContact CD1-CB 4.24Å; A200-L270 HydrophobicContact CB-CD1 3.78Å; V203-L270 HydrophobicContact CB-CD2 3.7Å; V203-L270 HydrophobicContact CG1-CD2 3.56Å; V203-L270 HydrophobicContact CG2-CD2 4.04Å; V225-L270 HydrophobicContact CB-CD1 4.23Å; V225-L270 HydrophobicContact CG1-CD1 4.29Å; V225-L270 HydrophobicContact CG2-CD1 4.07Å; V225-L270 HydrophobicContact CG2-CD2 4.34Å; A266-L270 WeakPolarHBondContact O-CG 2.93Å; A266-L270 PolarHBondContact O-N 2.96Å; L267-L270 HydrophobicContact CD2-CD1 4.45Å; L267-L270 PolarHBondContact O-N 2.88Å; L270-R272 VanDerWaalsContact C-N 3.31Å
271	I	95.7	Very high	94.1	Very high	26 Å²	26	30.2 Å²	30.2	13%	0.133	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	0.6	176.1	63.3	166.3	0	0	0	113.9	Q192 Q195 A196 L199 L267 N273 F276	Q192-I271 HydrophobicContact CB-CD1 3.97Å; Q192-I271 HydrophobicContact CG-CD1 4.26Å; Q195-I271 HydrophobicContact CB-CG2 4.26Å; Q195-I271 HydrophobicContact CG-CG2 4.03Å; A196-I271 HydrophobicContact CB-CD1 4.47Å; A196-I271 HydrophobicContact CB-CG2 3.77Å; L199-I271 HydrophobicContact CD1-CG2 3.92Å; L267-I271 PolarHBondContact O-N 2.73Å; I271-N273 HydrophobicContact CD1-CB 3.89Å; I271-N273 HydrophobicContact CG1-CB 3.98Å; I271-N273 PolarHBondContact O-N 3.39Å; I271-F276 HydrophobicContact CD1-CB 4.11Å; I271-F276 HydrophobicContact CD1-CD2 3.6Å; I271-F276 HydrophobicContact CD1-CE2 4.24Å; I271-F276 HydrophobicContact CD1-CG 3.97Å
272	R	94.1	Very high	93.6	Very high	168 Å²	168	29 Å²	29	63%	0.634	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	33.7	-177.7	-50.8	-179.4	-172.2	-136.9	-7.9	113.9	L66 A268 Q269 L270	L66-R272 PolarHBondContact O-NH1 3.17Å; L66-R272 PolarHBondContact O-NH2 3.27Å; A268-R272 WeakPolarHBondContact O-CA 3.31Å; A268-R272 PolarHBondContact O-N 2.99Å; Q269-R272 PolarHBondContact O-N 2.98Å; L270-R272 VanDerWaalsContact C-N 3.31Å
273	N	93.7	Very high	92.9	Very high	34 Å²	34	30 Å²	30	18%	0.182	15%	0.146	C	C	.	.			trans	-115	92.5	175.8	-177.9	7	0	0	0	109.8	Q192 A268 I271 T275 F276	Q192-N273 PolarHBondContact OE1-ND2 2.86Å; A268-N273 WeakPolarHBondContact CB-O 3.2Å; A268-N273 PolarHBondContact O-N 2.86Å; I271-N273 HydrophobicContact CD1-CB 3.89Å; I271-N273 HydrophobicContact CG1-CB 3.98Å; I271-N273 PolarHBondContact O-N 3.39Å; N273-T275 PolarHBondContact ND2-OG1 3.46Å; N273-T275 PolarHBondContact O-N 3.29Å; N273-T275 WeakPolarHBondContact OD1-CB 3.13Å; N273-T275 PolarHBondContact OD1-N 3.24Å; N273-T275 VanDerWaalsContact OD1-N 3.08Å; N273-T275 PolarHBondContact OD1-OG1 3.23Å; N273-F276 HydrophobicContact CB-CB 4.23Å; N273-F276 WeakPolarHBondContact O-CB 3.47Å; N273-F276 PolarHBondContact O-N 3.09Å
274	D	88.8	Confident	92	Very high	103 Å²	103	31.5 Å²	31.5	55%	0.551	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-20.4	178.9	-66.6	-28.8	0	0	0	113.1	K177	K177-D274 WeakPolarHBondContact CE-O 3.47Å; K177-D274 PolarHBondContact NZ-O 2.93Å
275	T	91	Very high	90.8	Very high	91 Å²	91	34.8 Å²	34.8	56%	0.558	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-11.5	175.5	74.1	0	0	0	0	114	N273 A277	N273-T275 PolarHBondContact ND2-OG1 3.46Å; N273-T275 PolarHBondContact O-N 3.29Å; N273-T275 WeakPolarHBondContact OD1-CB 3.13Å; N273-T275 PolarHBondContact OD1-N 3.24Å; N273-T275 VanDerWaalsContact OD1-N 3.08Å; N273-T275 PolarHBondContact OD1-OG1 3.23Å; T275-A277 PolarHBondContact O-N 3.09Å
276	F	94.7	Very high	88.8	Confident	13 Å²	13	37.5 Å²	37.5	6%	0.057	19%	0.194	C	C	.	.			trans	-56.5	133.1	179.7	175.3	-93.4	0	0	0	111.3	K177 L193 A196 E264 L267 A268 I271 N273 L278	K177-F276 WeakPolarHBondContact CD-O 3.26Å; K177-F276 WeakPolarHBondContact CE-O 3.38Å; K177-F276 PolarHBondContact NZ-O 3.04Å; L193-F276 HydrophobicContact CD1-CE2 4.22Å; L193-F276 HydrophobicContact CD1-CZ 3.92Å; A196-F276 HydrophobicContact CB-CE2 4.39Å; A196-F276 HydrophobicContact CB-CZ 4.21Å; E264-F276 HydrophobicContact CG-CD1 4.37Å; L267-F276 HydrophobicContact CB-CD1 4.18Å; L267-F276 HydrophobicContact CB-CE1 3.58Å; L267-F276 HydrophobicContact CB-CZ 4.26Å; L267-F276 HydrophobicContact CD1-CE1 4.05Å; L267-F276 HydrophobicContact CD1-CZ 4.31Å; A268-F276 HydrophobicContact CB-CB 3.96Å; A268-F276 HydrophobicContact CB-CD1 4.11Å; A268-F276 HydrophobicContact CB-CG 4.48Å; I271-F276 HydrophobicContact CD1-CB 4.11Å; I271-F276 HydrophobicContact CD1-CD2 3.6Å; I271-F276 HydrophobicContact CD1-CE2 4.24Å; I271-F276 HydrophobicContact CD1-CG 3.97Å; N273-F276 HydrophobicContact CB-CB 4.23Å; N273-F276 WeakPolarHBondContact O-CB 3.47Å; N273-F276 PolarHBondContact O-N 3.09Å; F276-L278 HydrophobicContact CE1-CD2 4.3Å; F276-L278 HydrophobicContact CE1-CG 4.24Å; F276-L278 HydrophobicContact CZ-CD2 4.23Å
277	A	95.3	Very high	86.9	Confident	17 Å²	17	40.8 Å²	40.8	14%	0.14	21%	0.212	C	C	.	.			trans	-135.2	135.6	-178.5	0	0	0	0	0	109	K177 R178 R179 E264 T275	K177-A277 HydrophobicContact CB-CB 4.06Å; R178-A277 WeakPolarHBondContact O-CB 3.33Å; R179-A277 HydrophobicContact CG-CB 4.1Å; E264-A277 WeakPolarHBondContact OE2-CA 3.09Å; T275-A277 PolarHBondContact O-N 3.09Å
278	L	96	Very high	84.9	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-68.2	127.2	179.8	-87.2	170.4	0	0	0	110.1	R179 L193 F197 I260 F263 E264 L267 F276 L433 T436	R179-L278 VanDerWaalsContact CB-O 3.29Å; R179-L278 WeakPolarHBondContact CB-O 3.39Å; R179-L278 WeakPolarHBondContact CD-O 3.4Å; R179-L278 WeakPolarHBondContact CG-O 3.39Å; L193-L278 HydrophobicContact CD1-CD2 4.13Å; F197-L278 HydrophobicContact CE2-CD2 4.28Å; F197-L278 HydrophobicContact CZ-CD2 4.39Å; I260-L278 HydrophobicContact CG2-CD1 4.04Å; F263-L278 HydrophobicContact CD1-CD1 3.78Å; F263-L278 HydrophobicContact CE1-CD1 4.48Å; E264-L278 HydrophobicContact CB-CD1 3.96Å; E264-L278 HydrophobicContact CB-CG 4.18Å; E264-L278 HydrophobicContact CG-CG 4.37Å; E264-L278 PolarHBondContact OE2-N 3.09Å; L267-L278 HydrophobicContact CD1-CD1 4.28Å; L267-L278 HydrophobicContact CD1-CD2 3.77Å; L267-L278 HydrophobicContact CD1-CG 4.25Å; F276-L278 HydrophobicContact CE1-CD2 4.3Å; F276-L278 HydrophobicContact CE1-CG 4.24Å; F276-L278 HydrophobicContact CZ-CD2 4.23Å; L278-L433 HydrophobicContact CD2-CD1 4.46Å; L278-T436 HydrophobicContact CB-CG2 4.32Å
279	P	94.9	Very high	82.9	Confident	3 Å²	3	48.4 Å²	48.4	2%	0.019	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-70.2	153.4	174.5	26.7	-29.3	0	0	0	110.5	K180 L185 L193 L433	K180-P279 VanDerWaalsContact O-CA 3.32Å; K180-P279 WeakPolarHBondContact O-CA 3.39Å; L185-P279 HydrophobicContact CD1-CB 3.9Å; L185-P279 HydrophobicContact CD1-CG 3.86Å; L185-P279 HydrophobicContact CD2-CB 4.19Å; L185-P279 HydrophobicContact CG-CB 4.35Å; L193-P279 HydrophobicContact CD1-CG 3.98Å; L193-P279 HydrophobicContact CD2-CG 3.8Å; P279-L433 HydrophobicContact CG-CD1 4.33Å; P279-L433 HydrophobicContact CG-CD2 4.27Å; P279-L433 HydrophobicContact CG-CG 4.08Å
280	Y	93.1	Very high	81.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-103.1	142.7	175.2	64.8	-89.7	0	0	0	112.1	R179 K180 W181 Y182 F282 W440 F493 E494 I496	R179-Y280 HydrophobicContact CB-CD1 4.37Å; R179-Y280 WeakPolarHBondContact O-CE1 3.35Å; K180-Y280 VanDerWaalsContact C-CE1 3.41Å; K180-Y280 WeakPolarHBondContact O-CD1 3.48Å; K180-Y280 WeakPolarHBondContact O-CE1 3.43Å; K180-Y280 PolarHBondContact O-N 2.78Å; W181-Y280 HydrophobicContact CB-CE1 4.21Å; W181-Y280 HydrophobicContact CB-CE2 3.88Å; W181-Y280 AromaticContact CD1-CD2 3.83Å; W181-Y280 AromaticContact CD1-CE2 3.56Å; W181-Y280 AromaticContact CG-CE2 3.99Å; W181-Y280 HydrophobicContact CG-CE2 3.99Å; Y182-Y280 PolarHBondContact N-O 3.22Å; Y280-F282 HydrophobicContact CD2-CD2 4.49Å; Y280-F282 HydrophobicContact CD2-CE1 4.1Å; Y280-F282 AromaticContact CD2-CE2 3.86Å; Y280-F282 HydrophobicContact CD2-CE2 3.86Å; Y280-F282 AromaticContact CD2-CZ 3.62Å; Y280-F282 HydrophobicContact CD2-CZ 3.62Å; Y280-F282 HydrophobicContact CE2-CD2 4.44Å; Y280-F282 HydrophobicContact CE2-CE1 4.49Å; Y280-F282 AromaticContact CE2-CE2 3.56Å; Y280-F282 HydrophobicContact CE2-CE2 3.56Å; Y280-F282 AromaticContact CE2-CZ 3.57Å; Y280-F282 HydrophobicContact CE2-CZ 3.57Å; Y280-W440 AromaticContact CD2-CD1 3.88Å; Y280-W440 HydrophobicContact CD2-CG 4.36Å; Y280-W440 AromaticContact CE1-CD1 3.8Å; Y280-W440 AromaticContact CE2-CD1 3.58Å; Y280-W440 HydrophobicContact CE2-CG 4.34Å; Y280-W440 AromaticContact CE2-NE1 3.79Å; Y280-W440 AromaticContact CZ-CD1 3.52Å; Y280-W440 AromaticContact CZ-NE1 3.6Å; Y280-W440 PolarHBondContact OH-NE1 3.23Å; Y280-F493 AromaticContact CD1-CD1 3.63Å; Y280-F493 HydrophobicContact CD1-CD1 3.63Å; Y280-F493 HydrophobicContact CD1-CE1 4.26Å; Y280-F493 HydrophobicContact CE1-CB 4.29Å; Y280-F493 AromaticContact CE1-CD1 3.96Å; Y280-F493 HydrophobicContact CE1-CD1 3.96Å; Y280-F493 HydrophobicContact CG-CD1 4.27Å; Y280-E494 PolarHBondContact OH-O 2.87Å; Y280-I496 HydrophobicContact CE2-CD1 4.14Å; Y280-I496 HydrophobicContact CE2-CG1 4.45Å; Y280-I496 VanDerWaalsContact OH-CG1 3.3Å; Y280-I496 WeakPolarHBondContact OH-CG1 3.29Å
281	W	88.9	Confident	79.2	Confident	22 Å²	22	48.9 Å²	48.9	8%	0.083	26%	0.258	C	S	.	.			trans	-124.6	141.1	174.3	171.8	45.6	0	0	0	110.4	Y182 W283 L290 L424 L430 L433 A434	Y182-W281 HydrophobicContact CD1-CB 4.1Å; Y182-W281 AromaticContact CD1-CD1 3.82Å; Y182-W281 HydrophobicContact CD1-CG 4.3Å; Y182-W281 AromaticContact CE1-CD1 3.52Å; Y182-W281 HydrophobicContact CE1-CG 4.41Å; W281-W283 HydrophobicContact CD2-CB 4.29Å; W281-W283 VanDerWaalsContact CE2-CA 3.46Å; W281-W283 HydrophobicContact CE3-CB 4.32Å; W281-W283 HydrophobicContact CH2-CB 3.74Å; W281-W283 HydrophobicContact CZ2-CB 3.68Å; W281-W283 HydrophobicContact CZ3-CB 4.06Å; W281-L290 HydrophobicContact CB-CD1 4.42Å; W281-L290 HydrophobicContact CD2-CD1 4.11Å; W281-L290 HydrophobicContact CD2-CD2 4.03Å; W281-L290 VanDerWaalsContact CE2-CD2 3.44Å; W281-L290 HydrophobicContact CG-CD1 3.82Å; W281-L290 HydrophobicContact CH2-CD2 4.12Å; W281-L290 HydrophobicContact CZ2-CD2 3.51Å; W281-L424 HydrophobicContact CH2-CD2 4.11Å; W281-L424 HydrophobicContact CZ3-CD1 4.02Å; W281-L424 HydrophobicContact CZ3-CD2 3.67Å; W281-L430 HydrophobicContact CE3-CB 4.32Å; W281-L430 HydrophobicContact CZ3-CB 3.85Å; W281-L433 HydrophobicContact CB-CB 3.87Å; W281-L433 PolarHBondContact N-O 3.13Å; W281-A434 HydrophobicContact CE3-CB 3.87Å; W281-A434 HydrophobicContact CZ3-CB 4.18Å
282	F	84.8	Confident	77.3	Confident	10 Å²	10	50.5 Å²	50.5	4%	0.044	27%	0.272	C	S	.	.			trans	-107.5	97.9	170.3	-59.6	-50	0	0	0	108.1	Y280 F284 L285 W440 I496	Y280-F282 HydrophobicContact CD2-CD2 4.49Å; Y280-F282 HydrophobicContact CD2-CE1 4.1Å; Y280-F282 AromaticContact CD2-CE2 3.86Å; Y280-F282 HydrophobicContact CD2-CE2 3.86Å; Y280-F282 AromaticContact CD2-CZ 3.62Å; Y280-F282 HydrophobicContact CD2-CZ 3.62Å; Y280-F282 HydrophobicContact CE2-CD2 4.44Å; Y280-F282 HydrophobicContact CE2-CE1 4.49Å; Y280-F282 AromaticContact CE2-CE2 3.56Å; Y280-F282 HydrophobicContact CE2-CE2 3.56Å; Y280-F282 AromaticContact CE2-CZ 3.57Å; Y280-F282 HydrophobicContact CE2-CZ 3.57Å; F282-F284 HydrophobicContact CB-CD1 4.3Å; F282-F284 HydrophobicContact CB-CD2 4.49Å; F282-F284 HydrophobicContact CB-CE1 3.83Å; F282-F284 HydrophobicContact CB-CE2 4.03Å; F282-F284 HydrophobicContact CB-CZ 3.68Å; F282-F284 AromaticContact CD1-CE1 3.92Å; F282-F284 HydrophobicContact CD1-CE1 3.92Å; F282-F284 AromaticContact CD1-CZ 3.75Å; F282-F284 HydrophobicContact CD1-CZ 3.75Å; F282-F284 HydrophobicContact CG-CE1 4.2Å; F282-F284 HydrophobicContact CG-CE2 4.42Å; F282-F284 AromaticContact CG-CZ 3.82Å; F282-F284 HydrophobicContact CG-CZ 3.82Å; F282-F284 PolarHBondContact O-N 2.77Å; F282-L285 HydrophobicContact CB-CB 4.28Å; F282-L285 HydrophobicContact CB-CD1 3.86Å; F282-L285 HydrophobicContact CB-CG 3.76Å; F282-L285 HydrophobicContact CD2-CD1 3.7Å; F282-L285 HydrophobicContact CD2-CG 4.47Å; F282-L285 HydrophobicContact CG-CD1 4.22Å; F282-L285 PolarHBondContact O-N 3.17Å; F282-W440 HydrophobicContact CE1-CB 4.21Å; F282-W440 HydrophobicContact CE1-CD2 4.12Å; F282-W440 HydrophobicContact CE1-CE3 4.05Å; F282-W440 HydrophobicContact CE1-CG 4.17Å; F282-W440 HydrophobicContact CZ-CB 4.31Å; F282-W440 AromaticContact CZ-CD2 3.57Å; F282-W440 HydrophobicContact CZ-CD2 3.57Å; F282-W440 AromaticContact CZ-CE2 3.95Å; F282-W440 AromaticContact CZ-CE3 3.75Å; F282-W440 HydrophobicContact CZ-CE3 3.75Å; F282-W440 AromaticContact CZ-CG 3.79Å; F282-W440 HydrophobicContact CZ-CG 3.79Å; F282-W440 HydrophobicContact CZ-CZ3 4.33Å; F282-I496 HydrophobicContact CE2-CD1 3.95Å
283	W	81.5	Confident	75.5	Confident	23 Å²	23	46.7 Å²	46.7	9%	0.087	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.1	-178.5	59	93.5	0	0	0	113.9	W281 F389 F418 K419 F420 A434 L438	W281-W283 HydrophobicContact CD2-CB 4.29Å; W281-W283 VanDerWaalsContact CE2-CA 3.46Å; W281-W283 HydrophobicContact CE3-CB 4.32Å; W281-W283 HydrophobicContact CH2-CB 3.74Å; W281-W283 HydrophobicContact CZ2-CB 3.68Å; W281-W283 HydrophobicContact CZ3-CB 4.06Å; W283-F389 HydrophobicContact CZ2-CD2 4.49Å; W283-F418 WeakPolarHBondContact CZ2-O 3.43Å; W283-F418 PolarHBondContact NE1-O 2.83Å; W283-K419 PolarHBondContact NE1-O 3.48Å; W283-K419 VanDerWaalsContact NE1-O 3.1Å; W283-F420 HydrophobicContact CD2-CD1 4.06Å; W283-F420 AromaticContact CD2-CE1 3.95Å; W283-F420 HydrophobicContact CD2-CE1 3.95Å; W283-F420 AromaticContact CE2-CD1 3.57Å; W283-F420 AromaticContact CE2-CE1 3.62Å; W283-F420 HydrophobicContact CE3-CE1 4.04Å; W283-F420 HydrophobicContact CE3-CZ 4.42Å; W283-F420 HydrophobicContact CH2-CD1 4.4Å; W283-F420 AromaticContact CH2-CE1 3.65Å; W283-F420 HydrophobicContact CH2-CE1 3.65Å; W283-F420 HydrophobicContact CH2-CZ 4.46Å; W283-F420 AromaticContact CZ2-CD1 3.78Å; W283-F420 HydrophobicContact CZ2-CD1 3.78Å; W283-F420 AromaticContact CZ2-CE1 3.48Å; W283-F420 HydrophobicContact CZ2-CE1 3.48Å; W283-F420 VanDerWaalsContact CZ2-CE1 3.48Å; W283-F420 AromaticContact CZ3-CE1 3.91Å; W283-F420 HydrophobicContact CZ3-CE1 3.91Å; W283-F420 HydrophobicContact CZ3-CZ 4.35Å; W283-F420 AromaticContact NE1-CD1 3.76Å; W283-A434 HydrophobicContact CD2-CB 4.31Å; W283-A434 HydrophobicContact CE3-CB 3.62Å; W283-A434 HydrophobicContact CZ3-CB 4.23Å; W283-A434 VanDerWaalsContact CZ3-O 3.28Å; W283-A434 WeakPolarHBondContact CZ3-O 3.33Å; W283-L438 HydrophobicContact CH2-CD2 3.65Å; W283-L438 HydrophobicContact CH2-CG 3.84Å; W283-L438 HydrophobicContact CZ2-CD2 4.21Å; W283-L438 HydrophobicContact CZ3-CG 4.35Å
284	F	76.9	Confident	73.8	Confident	32 Å²	32	45.4 Å²	45.4	14%	0.14	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-6.8	176.7	58.4	-97.5	0	0	0	114.3	F282 S286 L366 L417 F418	F282-F284 HydrophobicContact CB-CD1 4.3Å; F282-F284 HydrophobicContact CB-CD2 4.49Å; F282-F284 HydrophobicContact CB-CE1 3.83Å; F282-F284 HydrophobicContact CB-CE2 4.03Å; F282-F284 HydrophobicContact CB-CZ 3.68Å; F282-F284 AromaticContact CD1-CE1 3.92Å; F282-F284 HydrophobicContact CD1-CE1 3.92Å; F282-F284 AromaticContact CD1-CZ 3.75Å; F282-F284 HydrophobicContact CD1-CZ 3.75Å; F282-F284 HydrophobicContact CG-CE1 4.2Å; F282-F284 HydrophobicContact CG-CE2 4.42Å; F282-F284 AromaticContact CG-CZ 3.82Å; F282-F284 HydrophobicContact CG-CZ 3.82Å; F282-F284 PolarHBondContact O-N 2.77Å; F284-S286 PolarHBondContact O-N 2.71Å; F284-L366 HydrophobicContact CE2-CD2 4.45Å; F284-L366 HydrophobicContact CZ-CD2 4.48Å; F284-L417 WeakPolarHBondContact CB-O 3.06Å; F284-F418 HydrophobicContact CB-CD1 4.04Å; F284-F418 AromaticContact CD1-CD1 3.72Å; F284-F418 HydrophobicContact CD1-CD1 3.72Å; F284-F418 HydrophobicContact CD1-CE1 4.42Å; F284-F418 AromaticContact CD2-CD1 3.72Å; F284-F418 HydrophobicContact CD2-CD1 3.72Å; F284-F418 AromaticContact CD2-CE1 3.63Å; F284-F418 HydrophobicContact CD2-CE1 3.63Å; F284-F418 HydrophobicContact CE1-CD1 4.04Å; F284-F418 HydrophobicContact CE2-CD1 4.05Å; F284-F418 AromaticContact CE2-CE1 3.78Å; F284-F418 HydrophobicContact CE2-CE1 3.78Å; F284-F418 AromaticContact CG-CD1 3.55Å; F284-F418 HydrophobicContact CG-CD1 3.55Å; F284-F418 AromaticContact CG-CE1 3.98Å; F284-F418 HydrophobicContact CG-CE1 3.98Å; F284-F418 HydrophobicContact CZ-CD1 4.19Å; F284-F418 HydrophobicContact CZ-CE1 4.23Å
285	L	71.9	Confident	71.8	Confident	71 Å²	71	42.5 Å²	42.5	37%	0.372	24%	0.238	S	C	.	.	S	Bend	trans	-89	103.9	172	-65.2	-174.1	0	0	0	109	F282 N287	F282-L285 HydrophobicContact CB-CB 4.28Å; F282-L285 HydrophobicContact CB-CD1 3.86Å; F282-L285 HydrophobicContact CB-CG 3.76Å; F282-L285 HydrophobicContact CD2-CD1 3.7Å; F282-L285 HydrophobicContact CD2-CG 4.47Å; F282-L285 HydrophobicContact CG-CD1 4.22Å; F282-L285 PolarHBondContact O-N 3.17Å; L285-N287 PolarHBondContact O-N 3.28Å
286	S	51.9	Low	69.7	Low	97 Å²	97	44.8 Å²	44.8	68%	0.678	25%	0.247	S	C	*	.			trans	-63.6	94.7	-178.4	54	0	0	0	0	111.9	F284	F284-S286 PolarHBondContact O-N 2.71Å
287	N	54.4	Low	67.7	Low	70 Å²	70	44.9 Å²	44.9	37%	0.374	25%	0.25	S	S	.	.			trans	-152.9	98.1	173.2	-169.3	-25.1	0	0	0	109.6	Q183 L285 S289 L290	Q183-N287 PolarHBondContact NE2-ND2 2.95Å; Q183-N287 VanDerWaalsContact NE2-ND2 3.13Å; L285-N287 PolarHBondContact O-N 3.28Å; N287-S289 PolarHBondContact O-N 3.29Å; N287-S289 WeakPolarHBondContact OD1-CB 3.33Å; N287-S289 PolarHBondContact OD1-N 3.47Å; N287-S289 PolarHBondContact OD1-OG 3.2Å; N287-L290 PolarHBondContact O-N 2.78Å
288	D	52.9	Low	65.5	Low	123 Å²	123	47.9 Å²	47.9	66%	0.658	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-6.6	-175.6	-62.8	-32.2	0	0	0	114.1	L290 I291 S292	D288-L290 PolarHBondContact O-N 3.42Å; D288-I291 PolarHBondContact O-N 3.36Å; D288-S292 PolarHBondContact O-N 3.37Å
289	S	52.7	Low	63.4	Low	40 Å²	40	48.4 Å²	48.4	28%	0.28	27%	0.273	S	S	.	.	H	α-helix	trans	-64.4	-21.1	174.4	65	0	0	0	0	114.4	Q183 N287 R293	Q183-S289 PolarHBondContact NE2-OG 2.88Å; N287-S289 PolarHBondContact O-N 3.29Å; N287-S289 WeakPolarHBondContact OD1-CB 3.33Å; N287-S289 PolarHBondContact OD1-N 3.47Å; N287-S289 PolarHBondContact OD1-OG 3.2Å; S289-R293 WeakPolarHBondContact O-CB 3.43Å; S289-R293 WeakPolarHBondContact O-CG 3.48Å; S289-R293 PolarHBondContact O-N 3.21Å; S289-R293 VanDerWaalsContact O-N 3.1Å
290	L	54.5	Low	61.6	Low	1 Å²	1	48.3 Å²	48.3	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-61.9	-57.4	163.3	176.2	108.8	0	0	0	109.5	Y182 W281 N287 D288 S292 R293 M294 L430	Y182-L290 HydrophobicContact CD1-CD1 4.05Å; Y182-L290 HydrophobicContact CD2-CB 4.24Å; Y182-L290 HydrophobicContact CD2-CD1 3.39Å; Y182-L290 HydrophobicContact CD2-CG 4.33Å; Y182-L290 HydrophobicContact CE1-CD1 4.11Å; Y182-L290 HydrophobicContact CE2-CB 3.47Å; Y182-L290 VanDerWaalsContact CE2-CB 3.47Å; Y182-L290 HydrophobicContact CE2-CD1 3.46Å; Y182-L290 VanDerWaalsContact CE2-CD1 3.46Å; Y182-L290 HydrophobicContact CE2-CG 4.03Å; Y182-L290 HydrophobicContact CG-CD1 3.68Å; W281-L290 HydrophobicContact CB-CD1 4.42Å; W281-L290 HydrophobicContact CD2-CD1 4.11Å; W281-L290 HydrophobicContact CD2-CD2 4.03Å; W281-L290 VanDerWaalsContact CE2-CD2 3.44Å; W281-L290 HydrophobicContact CG-CD1 3.82Å; W281-L290 HydrophobicContact CH2-CD2 4.12Å; W281-L290 HydrophobicContact CZ2-CD2 3.51Å; N287-L290 PolarHBondContact O-N 2.78Å; D288-L290 PolarHBondContact O-N 3.42Å; L290-S292 VanDerWaalsContact C-N 3.3Å; L290-S292 PolarHBondContact O-N 2.86Å; L290-R293 PolarHBondContact O-N 2.9Å; L290-M294 HydrophobicContact CD1-CE 3.83Å; L290-M294 HydrophobicContact CD1-SD 3.6Å; L290-M294 HydrophobicContact CG-SD 3.88Å; L290-M294 WeakPolarHBondContact O-CB 3.35Å; L290-M294 PolarHBondContact O-N 2.86Å; L290-L430 HydrophobicContact CD2-CD1 4.48Å; L290-L430 HydrophobicContact CD2-CD2 4.2Å
291	I	56	Low	59.4	Low	82 Å²	82	49.5 Å²	49.5	42%	0.421	28%	0.282	S	S	.	.	H	α-helix	trans	-59	-46.1	-173.6	-57.7	177.1	0	0	0	108.5	D288 M294 S295	D288-I291 PolarHBondContact O-N 3.36Å; I291-M294 PolarHBondContact O-N 3.17Å; I291-S295 WeakPolarHBondContact O-CA 3.26Å; I291-S295 WeakPolarHBondContact O-CB 3.5Å; I291-S295 PolarHBondContact O-N 2.88Å; I291-S295 PolarHBondContact O-OG 2.05Å
292	S	54.8	Low	57.5	Low	61 Å²	61	54.4 Å²	54.4	43%	0.427	31%	0.306	S	S	.	.	H	α-helix	trans	-70.7	-35.4	179	68.9	0	0	0	0	114.9	D288 L290 N296	D288-S292 PolarHBondContact O-N 3.37Å; L290-S292 VanDerWaalsContact C-N 3.3Å; L290-S292 PolarHBondContact O-N 2.86Å; S292-N296 VanDerWaalsContact O-CB 3.25Å; S292-N296 WeakPolarHBondContact O-CB 3.33Å; S292-N296 PolarHBondContact O-N 2.86Å; S292-N296 PolarHBondContact O-ND2 3.16Å
293	R	57.8	Low	55.8	Low	88 Å²	88	54 Å²	54	33%	0.332	31%	0.305	S	S	.	.	H	α-helix	trans	-69.6	-38.6	173.6	-77.9	-176.6	75.8	-169.6	3.1	111.9	Q183 L185 D187 S289 L290 A297	Q183-R293 PolarHBondContact O-NH1 2.88Å; L185-R293 PolarHBondContact O-NH2 3.33Å; D187-R293 IonicContact OD1-NH2 3.84Å; S289-R293 WeakPolarHBondContact O-CB 3.43Å; S289-R293 WeakPolarHBondContact O-CG 3.48Å; S289-R293 PolarHBondContact O-N 3.21Å; S289-R293 VanDerWaalsContact O-N 3.1Å; L290-R293 PolarHBondContact O-N 2.9Å; R293-A297 PolarHBondContact O-N 3.25Å
294	M	56.1	Low	54.1	Low	6 Å²	6	56.8 Å²	56.8	3%	0.03	32%	0.319	C	S	.	.	H	α-helix	trans	-84.6	-39.9	-176.5	-66.6	-174.8	178.4	0	0	112.1	Y182 L290 I291 N296 A297 F300 L430 L433	Y182-M294 HydrophobicContact CD2-CE 4.3Å; L290-M294 HydrophobicContact CD1-CE 3.83Å; L290-M294 HydrophobicContact CD1-SD 3.6Å; L290-M294 HydrophobicContact CG-SD 3.88Å; L290-M294 WeakPolarHBondContact O-CB 3.35Å; L290-M294 PolarHBondContact O-N 2.86Å; I291-M294 PolarHBondContact O-N 3.17Å; M294-N296 VanDerWaalsContact C-N 3.26Å; M294-N296 PolarHBondContact O-N 2.57Å; M294-A297 CarbonylContact O-C 3.52Å; M294-A297 WeakPolarHBondContact O-CA 3.43Å; M294-A297 WeakPolarHBondContact O-CB 3.17Å; M294-A297 PolarHBondContact O-N 2.98Å; M294-F300 HydrophobicContact CB-CB 4.1Å; M294-F300 HydrophobicContact CB-CD1 4.27Å; M294-F300 HydrophobicContact CB-CD2 4.01Å; M294-F300 HydrophobicContact CB-CE2 4.49Å; M294-F300 HydrophobicContact CB-CG 3.9Å; M294-F300 HydrophobicContact CG-CD2 4.38Å; M294-F300 HydrophobicContact CG-CE2 4.37Å; M294-F300 HydrophobicContact CG-CZ 4.49Å; M294-F300 WeakPolarHBondContact O-CB 3.44Å; M294-F300 HydrophobicContact SD-CD1 4.35Å; M294-F300 HydrophobicContact SD-CE1 4Å; M294-F300 HydrophobicContact SD-CZ 4.15Å; M294-L430 HydrophobicContact CB-CD2 4.46Å; M294-L430 HydrophobicContact SD-CD2 3.41Å; M294-L430 WeakPolarHBondContact SD-CD2 3.18Å; M294-L433 HydrophobicContact CE-CD2 3.75Å; M294-L433 HydrophobicContact SD-CD2 4.1Å
295	S	47.7	Very low	52.6	Low	42 Å²	42	61.8 Å²	61.8	29%	0.294	35%	0.346	S	S	.	.	H	α-helix	trans	-63.8	-30.8	174.1	76.6	0	0	0	0	112.6	I291 A297 A301	I291-S295 WeakPolarHBondContact O-CA 3.26Å; I291-S295 WeakPolarHBondContact O-CB 3.5Å; I291-S295 PolarHBondContact O-N 2.88Å; I291-S295 PolarHBondContact O-OG 2.05Å; S295-A297 VanDerWaalsContact C-N 3.28Å; S295-A301 VanDerWaalsContact O-CB 3.28Å; S295-A301 WeakPolarHBondContact O-CB 3.5Å
296	N	47	Very low	51.4	Low	139 Å²	139	63.1 Å²	63.1	74%	0.743	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-22.3	172.2	-72.2	-14.7	0	0	0	112.5	S292 M294 S298	S292-N296 VanDerWaalsContact O-CB 3.25Å; S292-N296 WeakPolarHBondContact O-CB 3.33Å; S292-N296 PolarHBondContact O-N 2.86Å; S292-N296 PolarHBondContact O-ND2 3.16Å; M294-N296 VanDerWaalsContact C-N 3.26Å; M294-N296 PolarHBondContact O-N 2.57Å; N296-S298 PolarHBondContact O-N 2.75Å
297	A	52.6	Low	51.1	Low	16 Å²	16	60.3 Å²	60.3	13%	0.132	33%	0.325	C	S	.	.	S	Bend	trans	-82.6	97.7	166.3	0	0	0	0	0	109.1	I194 R293 M294 S295 L299 F300	I194-A297 HydrophobicContact CD1-CB 3.51Å; I194-A297 HydrophobicContact CG1-CB 4.15Å; R293-A297 PolarHBondContact O-N 3.25Å; M294-A297 CarbonylContact O-C 3.52Å; M294-A297 WeakPolarHBondContact O-CA 3.43Å; M294-A297 WeakPolarHBondContact O-CB 3.17Å; M294-A297 PolarHBondContact O-N 2.98Å; S295-A297 VanDerWaalsContact C-N 3.28Å; A297-L299 PolarHBondContact O-N 3.47Å; A297-F300 HydrophobicContact CB-CD2 4.19Å; A297-F300 PolarHBondContact O-N 2.72Å
298	S	50	Low	50.5	Low	80 Å²	80	63.3 Å²	63.3	56%	0.559	34%	0.341	S	S	*	.	H	α-helix	trans	-39.9	-38.7	-167	61	0	0	0	0	115.9	N296 F300 A301 E302	N296-S298 PolarHBondContact O-N 2.75Å; S298-F300 VanDerWaalsContact C-N 3.35Å; S298-F300 PolarHBondContact O-N 3.4Å; S298-A301 PolarHBondContact O-N 2.76Å; S298-E302 WeakPolarHBondContact O-CB 3.42Å; S298-E302 PolarHBondContact O-N 2.92Å
299	L	52	Low	49.9	Very low	10 Å²	10	64.3 Å²	64.3	5%	0.052	34%	0.341	C	S	.	.	H	α-helix	trans	-54.4	-42.7	178.3	-164.9	78.9	0	0	0	114	I194 F197 H198 A297 S303	I194-L299 HydrophobicContact CG2-CB 4.03Å; I194-L299 HydrophobicContact CG2-CD2 4.1Å; I194-L299 WeakPolarHBondContact O-CD2 3.36Å; F197-L299 HydrophobicContact CB-CD2 3.62Å; H198-L299 HydrophobicContact CB-CD1 3.93Å; H198-L299 HydrophobicContact CB-CD2 4.18Å; A297-L299 PolarHBondContact O-N 3.47Å; L299-S303 WeakPolarHBondContact O-CB 3.36Å; L299-S303 PolarHBondContact O-N 3.47Å
300	F	56	Low	49.3	Very low	1 Å²	1	64.3 Å²	64.3	0%	0.004	34%	0.339	C	S	.	.	H	α-helix	trans	-75.4	-35.2	-179.7	-64.7	-97.4	0	0	0	111.4	L193 I194 M294 A297 S298 S303 E304 P429 L430	L193-F300 HydrophobicContact CD2-CZ 4.1Å; I194-F300 HydrophobicContact CG1-CD2 4.49Å; I194-F300 HydrophobicContact CG1-CE2 3.85Å; M294-F300 HydrophobicContact CB-CB 4.1Å; M294-F300 HydrophobicContact CB-CD1 4.27Å; M294-F300 HydrophobicContact CB-CD2 4.01Å; M294-F300 HydrophobicContact CB-CE2 4.49Å; M294-F300 HydrophobicContact CB-CG 3.9Å; M294-F300 HydrophobicContact CG-CD2 4.38Å; M294-F300 HydrophobicContact CG-CE2 4.37Å; M294-F300 HydrophobicContact CG-CZ 4.49Å; M294-F300 WeakPolarHBondContact O-CB 3.44Å; M294-F300 HydrophobicContact SD-CD1 4.35Å; M294-F300 HydrophobicContact SD-CE1 4Å; M294-F300 HydrophobicContact SD-CZ 4.15Å; A297-F300 HydrophobicContact CB-CD2 4.19Å; A297-F300 PolarHBondContact O-N 2.72Å; S298-F300 VanDerWaalsContact C-N 3.35Å; S298-F300 PolarHBondContact O-N 3.4Å; F300-S303 WeakPolarHBondContact O-CB 3.41Å; F300-S303 PolarHBondContact O-N 3.31Å; F300-E304 WeakPolarHBondContact O-CG 3.38Å; F300-E304 PolarHBondContact O-N 2.95Å; F300-P429 HydrophobicContact CD1-CB 3.84Å; F300-P429 HydrophobicContact CD1-CG 4.48Å; F300-P429 HydrophobicContact CE1-CB 3.53Å; F300-P429 HydrophobicContact CZ-CB 4.31Å; F300-L430 HydrophobicContact CD1-CD2 3.62Å; F300-L430 HydrophobicContact CD1-CG 3.95Å; F300-L430 HydrophobicContact CE1-CD2 3.81Å; F300-L430 HydrophobicContact CE1-CG 4.44Å
301	A	47	Very low	49.1	Very low	26 Å²	26	67.8 Å²	67.8	22%	0.215	36%	0.358	C	S	.	.	H	α-helix	trans	-71.4	-40.7	174.9	0	0	0	0	0	112.9	S295 S298 S303 E304 L305	S295-A301 VanDerWaalsContact O-CB 3.28Å; S295-A301 WeakPolarHBondContact O-CB 3.5Å; S298-A301 PolarHBondContact O-N 2.76Å; A301-S303 VanDerWaalsContact C-N 3.27Å; A301-S303 PolarHBondContact O-N 2.68Å; A301-E304 PolarHBondContact O-N 2.67Å; A301-L305 VanDerWaalsContact O-CD1 3.25Å; A301-L305 WeakPolarHBondContact O-CD1 3.42Å; A301-L305 PolarHBondContact O-N 3.34Å
302	E	48.2	Very low	48.9	Very low	125 Å²	125	64.4 Å²	64.4	58%	0.584	34%	0.341	S	S	*	.	H	α-helix	trans	-66	-32.8	171.3	-73.1	-170.3	116.7	0	0	111.3	S298 R306	S298-E302 WeakPolarHBondContact O-CB 3.42Å; S298-E302 PolarHBondContact O-N 2.92Å; E302-R306 WeakPolarHBondContact O-CB 3.37Å; E302-R306 WeakPolarHBondContact O-CG 3.42Å; E302-R306 PolarHBondContact O-N 3.34Å
303	S	49.9	Very low	48.6	Very low	2 Å²	2	63.7 Å²	63.7	1%	0.014	34%	0.335	C	S	.	.	H	α-helix	trans	-67.3	-43.1	170.9	178.8	0	0	0	0	112.2	L299 F300 A301 L305 R306 V307 E427 S428 P429	L299-S303 WeakPolarHBondContact O-CB 3.36Å; L299-S303 PolarHBondContact O-N 3.47Å; F300-S303 WeakPolarHBondContact O-CB 3.41Å; F300-S303 PolarHBondContact O-N 3.31Å; A301-S303 VanDerWaalsContact C-N 3.27Å; A301-S303 PolarHBondContact O-N 2.68Å; S303-L305 PolarHBondContact O-N 3.3Å; S303-R306 CarbonylContact O-C 3.58Å; S303-R306 WeakPolarHBondContact O-CA 3.46Å; S303-R306 WeakPolarHBondContact O-CB 3.36Å; S303-R306 PolarHBondContact O-N 2.9Å; S303-V307 WeakPolarHBondContact O-CG2 3.45Å; S303-V307 PolarHBondContact O-N 3.2Å; S303-E427 PolarHBondContact OG-O 2.84Å; S303-S428 WeakPolarHBondContact OG-CA 3.21Å; S303-P429 WeakPolarHBondContact OG-CD 3.19Å
304	E	46.5	Very low	48.3	Very low	81 Å²	81	64.5 Å²	64.5	38%	0.379	34%	0.343	S	S	.	.	H	α-helix	trans	-62.2	-39.5	173.6	-77	179.4	170.7	0	0	111.9	F300 A301 R306 V307 L430	F300-E304 WeakPolarHBondContact O-CG 3.38Å; F300-E304 PolarHBondContact O-N 2.95Å; A301-E304 PolarHBondContact O-N 2.67Å; E304-R306 VanDerWaalsContact C-N 3.26Å; E304-R306 PolarHBondContact O-N 2.84Å; E304-V307 WeakPolarHBondContact O-CB 3.31Å; E304-V307 PolarHBondContact O-N 3.5Å; E304-L430 WeakPolarHBondContact OE1-CD1 3.27Å
305	L	44.1	Very low	48.1	Very low	136 Å²	136	68 Å²	68	71%	0.712	37%	0.365	S	S	*	.	H	α-helix	trans	-65.9	-26.3	169.2	-92	82.5	0	0	0	113.1	A301 S303	A301-L305 VanDerWaalsContact O-CD1 3.25Å; A301-L305 WeakPolarHBondContact O-CD1 3.42Å; A301-L305 PolarHBondContact O-N 3.34Å; S303-L305 PolarHBondContact O-N 3.3Å
306	R	46.6	Very low	48.6	Very low	100 Å²	100	67 Å²	67	38%	0.377	36%	0.355	S	S	.	.	H	α-helix	trans	-79	-19.7	172.2	-80.3	177.3	179.2	179.5	4.3	113.4	E201 E302 S303 E304 D308 H309 V310	E201-R306 IonicContact OE1-NH1 2.69Å; E201-R306 PolarHBondContact OE1-NH1 3.36Å; E201-R306 IonicContact OE2-CZ 2.63Å; E201-R306 IonicContact OE2-NH1 3.57Å; E201-R306 PolarHBondContact OE2-NH1 3.17Å; E201-R306 IonicContact OE2-NH2 3.56Å; E302-R306 WeakPolarHBondContact O-CB 3.37Å; E302-R306 WeakPolarHBondContact O-CG 3.42Å; E302-R306 PolarHBondContact O-N 3.34Å; S303-R306 CarbonylContact O-C 3.58Å; S303-R306 WeakPolarHBondContact O-CA 3.46Å; S303-R306 WeakPolarHBondContact O-CB 3.36Å; S303-R306 PolarHBondContact O-N 2.9Å; E304-R306 VanDerWaalsContact C-N 3.26Å; E304-R306 PolarHBondContact O-N 2.84Å; R306-D308 PolarHBondContact O-N 3.06Å; R306-H309 CarbonylContact O-C 3.49Å; R306-H309 PolarHBondContact O-N 2.97Å; R306-V310 HydrophobicContact CB-CG2 3.8Å; R306-V310 HydrophobicContact CG-CG2 4.07Å; R306-V310 WeakPolarHBondContact O-CB 3.34Å; R306-V310 WeakPolarHBondContact O-CG2 3.32Å; R306-V310 PolarHBondContact O-N 3.32Å
307	V	47	Very low	48.8	Very low	38 Å²	38	62.3 Å²	62.3	23%	0.23	34%	0.335	C	S	.	.	H	α-helix	trans	-58.7	-35.9	177.1	172.1	0	0	0	0	111.1	S303 E304 H309	S303-V307 WeakPolarHBondContact O-CG2 3.45Å; S303-V307 PolarHBondContact O-N 3.2Å; E304-V307 WeakPolarHBondContact O-CB 3.31Å; E304-V307 PolarHBondContact O-N 3.5Å; V307-H309 PolarHBondContact O-N 2.88Å
308	D	40.1	Very low	48.7	Very low	132 Å²	132	66.8 Å²	66.8	71%	0.706	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-12.7	174.4	-94.1	-19.9	0	0	0	114.2	R306	R306-D308 PolarHBondContact O-N 3.06Å
309	H	41.1	Very low	48.8	Very low	144 Å²	144	69.8 Å²	69.8	67%	0.667	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.4	-4.8	-168.6	-70.4	-7.8	0	0	0	115.3	R306 V307	R306-H309 CarbonylContact O-C 3.49Å; R306-H309 PolarHBondContact O-N 2.97Å; V307-H309 PolarHBondContact O-N 2.88Å
310	V	41.2	Very low	49.3	Very low	40 Å²	40	69.8 Å²	69.8	24%	0.242	37%	0.371	C	S	.	.			trans	-129.1	55.6	-176.4	-168.3	0	0	0	0	110.5	R306 T315 E427	R306-V310 HydrophobicContact CB-CG2 3.8Å; R306-V310 HydrophobicContact CG-CG2 4.07Å; R306-V310 WeakPolarHBondContact O-CB 3.34Å; R306-V310 WeakPolarHBondContact O-CG2 3.32Å; R306-V310 PolarHBondContact O-N 3.32Å; V310-T315 WeakPolarHBondContact CA-OG1 3.36Å; V310-T315 WeakPolarHBondContact CG1-OG1 3.15Å; V310-E427 HydrophobicContact CG1-CB 4.44Å; V310-E427 HydrophobicContact CG1-CG 4.31Å; V310-E427 VanDerWaalsContact O-CD 3.25Å; V310-E427 WeakPolarHBondContact O-CG 3.47Å
311	N	49.3	Very low	49.5	Very low	74 Å²	74	75.4 Å²	75.4	40%	0.396	40%	0.395	S	S	.	.			trans	-68.7	135.4	152	177	-25.5	0	0	0	107.5	C313 Q314 T315	N311-C313 PolarHBondContact O-N 3.12Å; N311-C313 VanDerWaalsContact O-N 3.16Å; N311-C313 WeakPolarHBondContact OD1-CB 3.45Å; N311-C313 PolarHBondContact OD1-N 3.05Å; N311-Q314 HydrophobicContact CB-CB 4.05Å; N311-Q314 HydrophobicContact CB-CG 3.9Å; N311-Q314 WeakPolarHBondContact O-CA 3.41Å; N311-Q314 WeakPolarHBondContact O-CB 3.16Å; N311-Q314 PolarHBondContact O-N 3.49Å; N311-T315 PolarHBondContact O-N 3.23Å; N311-T315 PolarHBondContact O-OG1 3.47Å
312	I	51.3	Low	50.1	Low	11 Å²	11	78 Å²	78	6%	0.056	41%	0.41	C	S	.	.	H	α-helix	trans	-56.2	-34.7	177.3	-163.5	153.1	0	0	0	112.9	I230 W231 H234 Q314 W316	I230-I312 HydrophobicContact CG2-CB 4.44Å; I230-I312 HydrophobicContact CG2-CD1 3.89Å; W231-I312 HydrophobicContact CB-CD1 4.14Å; W231-I312 HydrophobicContact CE3-CD1 3.79Å; H234-I312 HydrophobicContact CB-CG2 4.34Å; H234-I312 WeakPolarHBondContact CD2-CG2 3.26Å; I312-Q314 VanDerWaalsContact C-N 3.26Å; I312-Q314 PolarHBondContact O-N 2.89Å; I312-W316 HydrophobicContact CG1-CG 4.32Å; I312-W316 VanDerWaalsContact O-CB 3.24Å; I312-W316 WeakPolarHBondContact O-CB 3.45Å; I312-W316 PolarHBondContact O-N 3.15Å
313	C	49.9	Very low	50.8	Low	46 Å²	46	72.7 Å²	72.7	31%	0.311	39%	0.385	S	S	.	.	H	α-helix	trans	-73.9	-5.7	172.3	-70.7	0	0	0	0	114.5	N311 A317 C324	N311-C313 PolarHBondContact O-N 3.12Å; N311-C313 VanDerWaalsContact O-N 3.16Å; N311-C313 WeakPolarHBondContact OD1-CB 3.45Å; N311-C313 PolarHBondContact OD1-N 3.05Å; C313-A317 VanDerWaalsContact O-CA 3.24Å; C313-A317 WeakPolarHBondContact O-CA 3.21Å; C313-A317 VanDerWaalsContact O-CB 3.3Å; C313-A317 WeakPolarHBondContact O-CB 3.41Å; C313-C324 HydrophobicContact CB-CB 3.93Å; C313-C324 WeakPolarHBondContact CB-SG 3.36Å; C313-C324 WeakPolarHBondContact SG-CB 3.32Å; C313-C324 CovalentContact SG-SG 2.05Å; C313-C324 PolarHBondContact SG-SG 3.17Å
314	Q	50.8	Low	51.5	Low	106 Å²	106	73.9 Å²	73.9	50%	0.495	39%	0.393	S	S	.	.	H	α-helix	trans	-96.6	-55.4	168.2	-75.6	171.2	-27.3	0	0	111.1	N311 I312 W316 A317	N311-Q314 HydrophobicContact CB-CB 4.05Å; N311-Q314 HydrophobicContact CB-CG 3.9Å; N311-Q314 WeakPolarHBondContact O-CA 3.41Å; N311-Q314 WeakPolarHBondContact O-CB 3.16Å; N311-Q314 PolarHBondContact O-N 3.49Å; I312-Q314 VanDerWaalsContact C-N 3.26Å; I312-Q314 PolarHBondContact O-N 2.89Å; Q314-W316 PolarHBondContact O-N 3.28Å; Q314-A317 WeakPolarHBondContact O-CB 3.47Å; Q314-A317 PolarHBondContact O-N 3.34Å
315	T	52.8	Low	52.4	Low	80 Å²	80	73.2 Å²	73.2	49%	0.491	39%	0.393	S	S	.	.	H	α-helix	trans	-58.9	-32.8	-179.5	-39.1	0	0	0	0	111.7	V310 N311	V310-T315 WeakPolarHBondContact CA-OG1 3.36Å; V310-T315 WeakPolarHBondContact CG1-OG1 3.15Å; N311-T315 PolarHBondContact O-N 3.23Å; N311-T315 PolarHBondContact O-OG1 3.47Å
316	W	57.9	Low	53.2	Low	21 Å²	21	67.8 Å²	67.8	8%	0.08	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	13.4	174.5	-61.8	67	0	0	0	113.8	M211 K221 L223 I312 Q314 A318 R319 L320	M211-W316 HydrophobicContact CE-CH2 4.33Å; M211-W316 HydrophobicContact CE-CZ3 3.94Å; M211-W316 HydrophobicContact SD-CE3 4.2Å; M211-W316 HydrophobicContact SD-CH2 3.76Å; M211-W316 HydrophobicContact SD-CZ3 3.3Å; M211-W316 WeakPolarHBondContact SD-CZ3 3.29Å; K221-W316 HydrophobicContact CD-CH2 3.61Å; K221-W316 HydrophobicContact CD-CZ3 3.55Å; K221-W316 VanDerWaalsContact NZ-CH2 3.34Å; L223-W316 HydrophobicContact CD1-CH2 3.79Å; L223-W316 HydrophobicContact CD1-CZ2 3.53Å; L223-W316 HydrophobicContact CD2-CH2 3.42Å; L223-W316 VanDerWaalsContact CD2-CH2 3.42Å; L223-W316 HydrophobicContact CD2-CZ2 3.25Å; L223-W316 HydrophobicContact CG-CH2 4.1Å; L223-W316 HydrophobicContact CG-CZ2 4.03Å; I312-W316 HydrophobicContact CG1-CG 4.32Å; I312-W316 VanDerWaalsContact O-CB 3.24Å; I312-W316 WeakPolarHBondContact O-CB 3.45Å; I312-W316 PolarHBondContact O-N 3.15Å; Q314-W316 PolarHBondContact O-N 3.28Å; W316-A318 VanDerWaalsContact C-N 3.26Å; W316-A318 PolarHBondContact O-N 2.98Å; W316-R319 PolarHBondContact O-N 3.39Å; W316-L320 HydrophobicContact CB-CB 4.09Å; W316-L320 HydrophobicContact CB-CD1 3.65Å; W316-L320 HydrophobicContact CB-CG 3.8Å; W316-L320 HydrophobicContact CD2-CD1 3.98Å; W316-L320 HydrophobicContact CD2-CG 4.42Å; W316-L320 HydrophobicContact CE3-CD1 4.05Å; W316-L320 HydrophobicContact CE3-CG 4.11Å; W316-L320 HydrophobicContact CG-CD1 3.9Å; W316-L320 HydrophobicContact CG-CG 4.41Å; W316-L320 PolarHBondContact O-N 3.34Å
317	A	50.6	Low	54.1	Low	39 Å²	39	64 Å²	64	32%	0.322	35%	0.352	S	S	.	.	H	α-helix	trans	-45.3	-48.3	-169.8	0	0	0	0	0	113.1	C313 Q314 R319 K321	C313-A317 VanDerWaalsContact O-CA 3.24Å; C313-A317 WeakPolarHBondContact O-CA 3.21Å; C313-A317 VanDerWaalsContact O-CB 3.3Å; C313-A317 WeakPolarHBondContact O-CB 3.41Å; Q314-A317 WeakPolarHBondContact O-CB 3.47Å; Q314-A317 PolarHBondContact O-N 3.34Å; A317-R319 VanDerWaalsContact C-N 3.26Å; A317-R319 PolarHBondContact O-N 3.24Å; A317-K321 WeakPolarHBondContact O-CA 3.49Å; A317-K321 WeakPolarHBondContact O-CB 3.14Å; A317-K321 PolarHBondContact O-N 3.5Å
318	A	51.3	Low	54.9	Low	110 Å²	110	64.9 Å²	64.9	91%	0.909	36%	0.36	S	S	*	.	H	α-helix	trans	-59.7	-31.4	-178.6	0	0	0	0	0	114.3	W316	W316-A318 VanDerWaalsContact C-N 3.26Å; W316-A318 PolarHBondContact O-N 2.98Å
319	R	51.3	Low	55.6	Low	143 Å²	143	65.5 Å²	65.5	54%	0.54	36%	0.356	S	S	.	.	H	α-helix	trans	-98.2	-40.2	-178.2	-159.4	179.4	-157	83.6	-3	112.8	E219 W316 A317	E219-R319 IonicContact OE1-CZ 3.49Å; E219-R319 IonicContact OE1-NE 3.47Å; E219-R319 PolarHBondContact OE1-NE 3.15Å; E219-R319 IonicContact OE1-NH2 3.4Å; E219-R319 PolarHBondContact OE1-NH2 3.46Å; E219-R319 IonicContact OE2-CZ 3.51Å; E219-R319 IonicContact OE2-NE 3.82Å; E219-R319 PolarHBondContact OE2-NE 3.38Å; E219-R319 IonicContact OE2-NH2 2.75Å; E219-R319 PolarHBondContact OE2-NH2 3.35Å; W316-R319 PolarHBondContact O-N 3.39Å; A317-R319 VanDerWaalsContact C-N 3.26Å; A317-R319 PolarHBondContact O-N 3.24Å
320	L	61.7	Low	56.2	Low	10 Å²	10	63.1 Å²	63.1	5%	0.052	35%	0.346	C	S	.	.	H	α-helix	trans	-96.5	-10	-174.6	-68	-175.2	0	0	0	114.5	M211 W231 W316 P322 L323 C324	M211-L320 HydrophobicContact SD-CD2 4.11Å; W231-L320 HydrophobicContact CE3-CD1 4.18Å; W231-L320 HydrophobicContact CH2-CD1 4.04Å; W231-L320 HydrophobicContact CH2-CD2 4.03Å; W231-L320 HydrophobicContact CZ3-CD1 3.42Å; W231-L320 VanDerWaalsContact CZ3-CD1 3.42Å; W231-L320 HydrophobicContact CZ3-CD2 4.28Å; W316-L320 HydrophobicContact CB-CB 4.09Å; W316-L320 HydrophobicContact CB-CD1 3.65Å; W316-L320 HydrophobicContact CB-CG 3.8Å; W316-L320 HydrophobicContact CD2-CD1 3.98Å; W316-L320 HydrophobicContact CD2-CG 4.42Å; W316-L320 HydrophobicContact CE3-CD1 4.05Å; W316-L320 HydrophobicContact CE3-CG 4.11Å; W316-L320 HydrophobicContact CG-CD1 3.9Å; W316-L320 HydrophobicContact CG-CG 4.41Å; W316-L320 PolarHBondContact O-N 3.34Å; L320-P322 VanDerWaalsContact C-CD 3.44Å; L320-P322 VanDerWaalsContact C-N 3.32Å; L320-L323 HydrophobicContact CD2-CD2 4.06Å; L320-L323 CarbonylContact O-C 3.38Å; L320-L323 WeakPolarHBondContact O-CA 3.47Å; L320-L323 VanDerWaalsContact O-CB 3.26Å; L320-L323 WeakPolarHBondContact O-CB 3.5Å; L320-L323 PolarHBondContact O-N 2.93Å; L320-C324 PolarHBondContact O-N 3.39Å; L320-C324 PolarHBondContact O-SG 2.85Å; L320-C324 VanDerWaalsContact O-SG 3.33Å
321	K	61.3	Low	56.5	Low	120 Å²	120	70.3 Å²	70.3	52%	0.522	37%	0.368	S	S	.	.	H	α-helix	trans	-50.9	-41	177.1	175.2	167	-174.1	169.7	0	114.3	A317 L323 C324 D325	A317-K321 WeakPolarHBondContact O-CA 3.49Å; A317-K321 WeakPolarHBondContact O-CB 3.14Å; A317-K321 PolarHBondContact O-N 3.5Å; K321-L323 PolarHBondContact O-N 2.88Å; K321-C324 PolarHBondContact O-N 3.07Å; K321-D325 WeakPolarHBondContact CE-OD2 3.2Å; K321-D325 VanDerWaalsContact CG-OD2 3.31Å; K321-D325 WeakPolarHBondContact CG-OD2 3.43Å; K321-D325 WeakPolarHBondContact O-CB 3.49Å; K321-D325 VanDerWaalsContact O-CG 3.28Å; K321-D325 PolarHBondContact O-N 3.2Å
322	P	60	Low	56.5	Low	81 Å²	81	74.1 Å²	74.1	53%	0.526	38%	0.382	S	S	.	.	H	α-helix	trans	-58.7	-35.2	174.7	-25.3	35.7	0	0	0	113.5	L320 M326	L320-P322 VanDerWaalsContact C-CD 3.44Å; L320-P322 VanDerWaalsContact C-N 3.32Å; P322-M326 WeakPolarHBondContact O-CB 3.46Å; P322-M326 PolarHBondContact O-N 3.42Å
323	L	62.4	Low	56.3	Low	12 Å²	12	82.3 Å²	82.3	6%	0.063	42%	0.422	C	S	.	.	H	α-helix	trans	-72.8	-51.8	174.7	-171.8	69.4	0	0	0	110.6	L131 W231 M235 L320 K321 D325 M326 C327	L131-L323 HydrophobicContact CD1-CD1 3.73Å; L131-L323 HydrophobicContact CD2-CD1 3.68Å; L131-L323 HydrophobicContact CG-CD1 4.34Å; W231-L323 HydrophobicContact CH2-CD2 3.74Å; W231-L323 HydrophobicContact CZ3-CD2 4.49Å; M235-L323 HydrophobicContact CE-CD2 3.92Å; M235-L323 HydrophobicContact SD-CD2 4.3Å; L320-L323 HydrophobicContact CD2-CD2 4.06Å; L320-L323 CarbonylContact O-C 3.38Å; L320-L323 WeakPolarHBondContact O-CA 3.47Å; L320-L323 VanDerWaalsContact O-CB 3.26Å; L320-L323 WeakPolarHBondContact O-CB 3.5Å; L320-L323 PolarHBondContact O-N 2.93Å; K321-L323 PolarHBondContact O-N 2.88Å; L323-D325 PolarHBondContact O-N 3.16Å; L323-M326 HydrophobicContact CD1-CE 3.73Å; L323-M326 WeakPolarHBondContact O-CB 3.49Å; L323-M326 PolarHBondContact O-N 3.49Å; L323-M326 VanDerWaalsContact O-N 3.16Å; L323-C327 WeakPolarHBondContact O-CB 3.39Å; L323-C327 PolarHBondContact O-N 3.36Å; L323-C327 PolarHBondContact O-SG 2.99Å
324	C	64.1	Low	56.3	Low	27 Å²	27	85.2 Å²	85.2	18%	0.182	43%	0.434	C	S	.	.	H	α-helix	trans	-60.7	-42.7	-179.4	-55.8	0	0	0	0	112.3	C313 L320 K321 M326 S328	C313-C324 HydrophobicContact CB-CB 3.93Å; C313-C324 WeakPolarHBondContact CB-SG 3.36Å; C313-C324 WeakPolarHBondContact SG-CB 3.32Å; C313-C324 CovalentContact SG-SG 2.05Å; C313-C324 PolarHBondContact SG-SG 3.17Å; L320-C324 PolarHBondContact O-N 3.39Å; L320-C324 PolarHBondContact O-SG 2.85Å; L320-C324 VanDerWaalsContact O-SG 3.33Å; K321-C324 PolarHBondContact O-N 3.07Å; C324-M326 VanDerWaalsContact C-N 3.33Å; C324-M326 PolarHBondContact O-N 3.29Å; C324-S328 WeakPolarHBondContact O-CB 3.49Å; C324-S328 PolarHBondContact O-N 3.5Å
325	D	64.7	Low	56	Low	68 Å²	68	84.1 Å²	84.1	36%	0.364	43%	0.432	S	S	.	.	H	α-helix	trans	-63.7	-37.2	175.9	-76.1	-10.8	0	0	0	111.7	K321 L323 K329	K321-D325 WeakPolarHBondContact CE-OD2 3.2Å; K321-D325 VanDerWaalsContact CG-OD2 3.31Å; K321-D325 WeakPolarHBondContact CG-OD2 3.43Å; K321-D325 WeakPolarHBondContact O-CB 3.49Å; K321-D325 VanDerWaalsContact O-CG 3.28Å; K321-D325 PolarHBondContact O-N 3.2Å; L323-D325 PolarHBondContact O-N 3.16Å; D325-K329 WeakPolarHBondContact O-CB 3.16Å; D325-K329 WeakPolarHBondContact O-CD 3.14Å; D325-K329 WeakPolarHBondContact O-CG 3.42Å; D325-K329 PolarHBondContact O-N 3.48Å
326	M	62.3	Low	55.9	Low	22 Å²	22	91.5 Å²	91.5	11%	0.108	45%	0.451	C	S	.	.	H	α-helix	trans	-70.5	-50.2	179.4	-179.3	-172.3	88.9	0	0	111.2	P129 L131 A214 P322 L323 C324 S328 K329 Q330	P129-M326 HydrophobicContact CB-SD 3.68Å; P129-M326 HydrophobicContact CG-CE 4.21Å; P129-M326 HydrophobicContact CG-CG 3.88Å; P129-M326 HydrophobicContact CG-SD 3.33Å; P129-M326 WeakPolarHBondContact CG-SD 3.46Å; L131-M326 HydrophobicContact CB-CE 4.09Å; L131-M326 HydrophobicContact CD1-CE 3.98Å; L131-M326 HydrophobicContact CD2-CE 3.66Å; L131-M326 HydrophobicContact CG-CE 4.1Å; A214-M326 HydrophobicContact CB-SD 3.73Å; P322-M326 WeakPolarHBondContact O-CB 3.46Å; P322-M326 PolarHBondContact O-N 3.42Å; L323-M326 HydrophobicContact CD1-CE 3.73Å; L323-M326 WeakPolarHBondContact O-CB 3.49Å; L323-M326 PolarHBondContact O-N 3.49Å; L323-M326 VanDerWaalsContact O-N 3.16Å; C324-M326 VanDerWaalsContact C-N 3.33Å; C324-M326 PolarHBondContact O-N 3.29Å; M326-S328 VanDerWaalsContact C-N 3.28Å; M326-S328 PolarHBondContact O-N 3Å; M326-K329 PolarHBondContact O-N 3.31Å; M326-Q330 PolarHBondContact O-N 3.27Å
327	C	65.3	Low	55.6	Low	20 Å²	20	99.4 Å²	99.4	14%	0.135	49%	0.488	C	S	.	.	H	α-helix	trans	-59	-38.2	172.5	-59.2	0	0	0	0	112.6	C241 L323 Q330 R331	C241-C327 HydrophobicContact CB-CB 4.17Å; C241-C327 WeakPolarHBondContact CB-SG 3.46Å; C241-C327 WeakPolarHBondContact SG-CB 3.16Å; C241-C327 CovalentContact SG-SG 2.01Å; C241-C327 PolarHBondContact SG-SG 3.36Å; L323-C327 WeakPolarHBondContact O-CB 3.39Å; L323-C327 PolarHBondContact O-N 3.36Å; L323-C327 PolarHBondContact O-SG 2.99Å; C327-Q330 PolarHBondContact O-N 2.77Å; C327-R331 PolarHBondContact O-N 2.89Å
328	S	62.8	Low	55.7	Low	56 Å²	56	100 Å²	100	39%	0.392	49%	0.488	S	S	.	.	H	α-helix	trans	-67.7	-40.3	176	-176.2	0	0	0	0	112.2	C324 M326 Q330 R331 K332	C324-S328 WeakPolarHBondContact O-CB 3.49Å; C324-S328 PolarHBondContact O-N 3.5Å; M326-S328 VanDerWaalsContact C-N 3.28Å; M326-S328 PolarHBondContact O-N 3Å; S328-Q330 VanDerWaalsContact C-N 3.28Å; S328-Q330 PolarHBondContact O-N 3.01Å; S328-R331 WeakPolarHBondContact O-CB 3.43Å; S328-R331 PolarHBondContact O-N 3.25Å; S328-R331 VanDerWaalsContact O-N 3.17Å; S328-K332 PolarHBondContact O-N 3.33Å; S328-K332 VanDerWaalsContact O-N 3.09Å
329	K	55.7	Low	56.3	Low	145 Å²	145	98.8 Å²	98.8	63%	0.63	47%	0.467	S	S	*	.	H	α-helix	trans	-61.6	-34.6	175.7	-78.9	166	-174.8	175.3	0	112.8	D325 M326 K332	D325-K329 WeakPolarHBondContact O-CB 3.16Å; D325-K329 WeakPolarHBondContact O-CD 3.14Å; D325-K329 WeakPolarHBondContact O-CG 3.42Å; D325-K329 PolarHBondContact O-N 3.48Å; M326-K329 PolarHBondContact O-N 3.31Å; K329-K332 PolarHBondContact O-N 2.92Å
330	Q	52.7	Low	57.1	Low	95 Å²	95	99.2 Å²	99.2	44%	0.444	47%	0.474	S	S	.	.	H	α-helix	trans	-69.1	-34.5	175.6	-73.7	170.7	-99.5	0	0	112.3	G240 M326 C327 S328	G240-Q330 WeakPolarHBondContact O-CB 3.49Å; G240-Q330 PolarHBondContact O-NE2 3.17Å; G240-Q330 PolarHBondContact O-OE1 3.39Å; M326-Q330 PolarHBondContact O-N 3.27Å; C327-Q330 PolarHBondContact O-N 2.77Å; S328-Q330 VanDerWaalsContact C-N 3.28Å; S328-Q330 PolarHBondContact O-N 3.01Å
331	R	49.3	Very low	57.5	Low	190 Å²	190	104.6 Å²	104.6	72%	0.717	50%	0.503	S	S	*	.	H	α-helix	trans	-62	-42.6	167	-80.6	-173.9	177.7	163.6	1.5	112.6	C327 S328 M333 D334 D335	C327-R331 PolarHBondContact O-N 2.89Å; S328-R331 WeakPolarHBondContact O-CB 3.43Å; S328-R331 PolarHBondContact O-N 3.25Å; S328-R331 VanDerWaalsContact O-N 3.17Å; R331-M333 PolarHBondContact O-N 3.47Å; R331-D334 PolarHBondContact O-N 2.92Å; R331-D334 VanDerWaalsContact O-N 3.09Å; R331-D335 PolarHBondContact O-N 3.06Å; R331-D335 VanDerWaalsContact O-N 3.09Å
332	K	47.8	Very low	57.9	Low	155 Å²	155	101.4 Å²	101.4	67%	0.674	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-9.7	-176.6	-73.7	-168.3	174.8	-166.6	0	115.4	S328 K329	S328-K332 PolarHBondContact O-N 3.33Å; S328-K332 VanDerWaalsContact O-N 3.09Å; K329-K332 PolarHBondContact O-N 2.92Å
333	M	47.9	Very low	58.3	Low	182 Å²	182	100.9 Å²	100.9	90%	0.897	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-21.2	174.9	-157.4	166.4	-171.8	0	0	113.4	R331	R331-M333 PolarHBondContact O-N 3.47Å
334	D	48.8	Very low	58.8	Low	108 Å²	108	104.3 Å²	104.3	58%	0.578	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-31.2	168.6	-175.7	11.9	0	0	0	111.1	R331 R336 R394	R331-D334 PolarHBondContact O-N 2.92Å; R331-D334 VanDerWaalsContact O-N 3.09Å; D334-R336 VanDerWaalsContact C-N 3.3Å; D334-R336 PolarHBondContact O-N 3.26Å; D334-R394 PolarHBondContact O-NH2 2.92Å; D334-R394 IonicContact OD1-CZ 2.77Å; D334-R394 IonicContact OD1-NH1 3.57Å; D334-R394 PolarHBondContact OD1-NH1 3.09Å; D334-R394 IonicContact OD1-NH2 3.87Å; D334-R394 PolarHBondContact OD1-NH2 3.45Å; D334-R394 IonicContact OD2-CZ 2.78Å; D334-R394 IonicContact OD2-NH1 3.27Å; D334-R394 PolarHBondContact OD2-NH1 2.95Å; D334-R394 VanDerWaalsContact OD2-NH1 3.17Å; D334-R394 IonicContact OD2-NH2 2.68Å
335	D	46.3	Very low	59.4	Low	83 Å²	83	105.2 Å²	105.2	44%	0.444	51%	0.511	S	S	.	.			trans	-74.5	74.6	-172.5	-150	8.6	0	0	0	114.1	R331 Q337 T338 R394	R331-D335 PolarHBondContact O-N 3.06Å; R331-D335 VanDerWaalsContact O-N 3.09Å; D335-Q337 VanDerWaalsContact C-N 3.3Å; D335-Q337 PolarHBondContact O-N 3.42Å; D335-T338 PolarHBondContact OD1-OG1 2.81Å; D335-T338 VanDerWaalsContact OD1-OG1 3.08Å; D335-R394 IonicContact OD1-NH2 2.99Å
336	R	50.2	Low	59.9	Low	234 Å²	234	102.4 Å²	102.4	88%	0.883	50%	0.496	S	S	*	.			trans	-52.7	101.9	147.5	-87.9	-173.9	171.9	170	-1	107	D334 T338	D334-R336 VanDerWaalsContact C-N 3.3Å; D334-R336 PolarHBondContact O-N 3.26Å; R336-T338 PolarHBondContact O-N 3.05Å
337	Q	50.7	Low	60.5	Low	187 Å²	187	105.5 Å²	105.5	87%	0.874	51%	0.507	S	S	*	.			trans	-33	98.7	-169.4	-170.5	156.1	-12.8	0	0	112.4	D335 D339	D335-Q337 VanDerWaalsContact C-N 3.3Å; D335-Q337 PolarHBondContact O-N 3.42Å; Q337-D339 PolarHBondContact O-N 2.73Å; Q337-D339 VanDerWaalsContact O-N 3.08Å
338	T	54.4	Low	61.2	Low	52 Å²	52	108.2 Å²	108.2	32%	0.319	53%	0.526	S	S	.	.			trans	-69.8	109	-174.5	-55.6	0	0	0	0	107.8	D335 R336 E340 M342	D335-T338 PolarHBondContact OD1-OG1 2.81Å; D335-T338 VanDerWaalsContact OD1-OG1 3.08Å; R336-T338 PolarHBondContact O-N 3.05Å; T338-E340 PolarHBondContact O-N 2.88Å; T338-M342 HydrophobicContact CG2-CE 3.9Å
339	D	63.1	Low	62	Low	85 Å²	85	107.7 Å²	107.7	46%	0.455	52%	0.517	S	S	.	.			trans	-53.3	120.2	-175.1	178.8	5.8	0	0	0	111.3	Q337 D341 M342 L343	Q337-D339 PolarHBondContact O-N 2.73Å; Q337-D339 VanDerWaalsContact O-N 3.08Å; D339-D341 VanDerWaalsContact C-N 3.3Å; D339-D341 PolarHBondContact O-N 3.2Å; D339-D341 PolarHBondContact OD1-N 3.27Å; D339-M342 HydrophobicContact CB-CB 3.8Å; D339-M342 HydrophobicContact CB-CE 4.15Å; D339-M342 WeakPolarHBondContact O-CB 3.06Å; D339-M342 PolarHBondContact O-N 3.38Å; D339-L343 PolarHBondContact O-N 2.88Å
340	E	67.9	Low	63	Low	151 Å²	151	101.3 Å²	101.3	71%	0.706	49%	0.49	S	S	*	.	H	α-helix	trans	-67	-33.4	-177.3	-67.8	-168.5	152.2	0	0	111.1	T338 M342 L343 N344	T338-E340 PolarHBondContact O-N 2.88Å; E340-M342 VanDerWaalsContact C-N 3.34Å; E340-L343 PolarHBondContact O-N 3.47Å; E340-N344 VanDerWaalsContact O-CB 3.27Å; E340-N344 WeakPolarHBondContact O-CB 3.41Å; E340-N344 PolarHBondContact O-N 2.98Å; E340-N344 PolarHBondContact O-ND2 2.93Å
341	D	70.3	Confident	64.3	Low	123 Å²	123	103.4 Å²	103.4	66%	0.658	50%	0.497	S	S	*	.	H	α-helix	trans	-66.3	-40	176.2	-73.6	-22.5	0	0	0	110.5	D339 N344 A345	D339-D341 VanDerWaalsContact C-N 3.3Å; D339-D341 PolarHBondContact O-N 3.2Å; D339-D341 PolarHBondContact OD1-N 3.27Å; D341-N344 PolarHBondContact O-N 2.98Å; D341-A345 VanDerWaalsContact O-CB 3.27Å; D341-A345 WeakPolarHBondContact O-CB 3.49Å; D341-A345 PolarHBondContact O-N 3.23Å
342	M	69.4	Low	65.8	Low	54 Å²	54	99.6 Å²	99.6	27%	0.266	49%	0.488	S	S	.	.	H	α-helix	trans	-64.6	-39.3	173.7	180	-173.8	66.5	0	0	112.3	T338 D339 E340 T346 V397	T338-M342 HydrophobicContact CG2-CE 3.9Å; D339-M342 HydrophobicContact CB-CB 3.8Å; D339-M342 HydrophobicContact CB-CE 4.15Å; D339-M342 WeakPolarHBondContact O-CB 3.06Å; D339-M342 PolarHBondContact O-N 3.38Å; E340-M342 VanDerWaalsContact C-N 3.34Å; M342-T346 WeakPolarHBondContact O-CB 3.42Å; M342-T346 PolarHBondContact O-N 3.42Å; M342-T346 PolarHBondContact O-OG1 3.36Å; M342-V397 HydrophobicContact CE-CG2 3.68Å; M342-V397 HydrophobicContact CG-CG1 3.76Å; M342-V397 HydrophobicContact CG-CG2 4.32Å; M342-V397 HydrophobicContact SD-CB 4.14Å; M342-V397 HydrophobicContact SD-CG1 3.4Å; M342-V397 WeakPolarHBondContact SD-CG1 3.4Å; M342-V397 HydrophobicContact SD-CG2 3.62Å
343	L	69.1	Low	67.2	Low	70 Å²	70	93.6 Å²	93.6	37%	0.366	46%	0.462	S	S	.	.	H	α-helix	trans	-68.9	-40.6	174.6	-174.3	65.7	0	0	0	111.5	D339 E340 T346 R347	D339-L343 PolarHBondContact O-N 2.88Å; E340-L343 PolarHBondContact O-N 3.47Å; L343-T346 WeakPolarHBondContact O-CB 2.98Å; L343-T346 PolarHBondContact O-N 2.77Å; L343-R347 WeakPolarHBondContact O-CD 3.5Å; L343-R347 VanDerWaalsContact O-CG 3.28Å; L343-R347 WeakPolarHBondContact O-CG 3.35Å; L343-R347 PolarHBondContact O-N 2.97Å
344	N	72.5	Confident	68.5	Low	84 Å²	84	85.9 Å²	85.9	45%	0.449	43%	0.427	S	S	.	.	H	α-helix	trans	-67.5	-40	177.1	-73.8	-35	0	0	0	112.2	E340 D341 T346 R347 S348	E340-N344 VanDerWaalsContact O-CB 3.27Å; E340-N344 WeakPolarHBondContact O-CB 3.41Å; E340-N344 PolarHBondContact O-N 2.98Å; E340-N344 PolarHBondContact O-ND2 2.93Å; D341-N344 PolarHBondContact O-N 2.98Å; N344-T346 VanDerWaalsContact C-N 3.32Å; N344-T346 PolarHBondContact O-N 2.86Å; N344-R347 WeakPolarHBondContact O-CB 3.31Å; N344-R347 PolarHBondContact O-N 3.45Å; N344-S348 WeakPolarHBondContact O-CB 3.15Å; N344-S348 PolarHBondContact O-N 2.76Å
345	A	77.1	Confident	69.8	Low	46 Å²	46	85.4 Å²	85.4	38%	0.38	43%	0.433	S	S	.	.	H	α-helix	trans	-61.9	-39.3	170.2	0	0	0	0	0	111.8	D341 S348 F349 V398	D341-A345 VanDerWaalsContact O-CB 3.27Å; D341-A345 WeakPolarHBondContact O-CB 3.49Å; D341-A345 PolarHBondContact O-N 3.23Å; A345-S348 PolarHBondContact O-N 3.3Å; A345-F349 WeakPolarHBondContact O-CB 3.36Å; A345-F349 PolarHBondContact O-N 2.89Å; A345-V398 HydrophobicContact CB-CG2 3.77Å
346	T	74.3	Confident	71.1	Confident	8 Å²	8	87.9 Å²	87.9	5%	0.049	44%	0.442	C	S	.	.	H	α-helix	trans	-62.7	-46.3	174.6	-54.2	0	0	0	0	111.1	M342 L343 N344 S348 F349 L350 P396 V398 L401	M342-T346 WeakPolarHBondContact O-CB 3.42Å; M342-T346 PolarHBondContact O-N 3.42Å; M342-T346 PolarHBondContact O-OG1 3.36Å; L343-T346 WeakPolarHBondContact O-CB 2.98Å; L343-T346 PolarHBondContact O-N 2.77Å; N344-T346 VanDerWaalsContact C-N 3.32Å; N344-T346 PolarHBondContact O-N 2.86Å; T346-S348 VanDerWaalsContact C-N 3.35Å; T346-S348 PolarHBondContact O-N 3.35Å; T346-F349 PolarHBondContact O-N 3.06Å; T346-L350 HydrophobicContact CG2-CD1 3.9Å; T346-L350 WeakPolarHBondContact O-CB 3.3Å; T346-L350 VanDerWaalsContact O-CG 3.25Å; T346-L350 WeakPolarHBondContact O-CG 3.39Å; T346-L350 PolarHBondContact O-N 2.99Å; T346-P396 WeakPolarHBondContact CG2-O 3.39Å; T346-V398 WeakPolarHBondContact OG1-CG2 3.42Å; T346-V398 PolarHBondContact OG1-N 3.11Å; T346-L401 HydrophobicContact CG2-CD1 4.05Å
347	R	75.2	Confident	72.1	Confident	87 Å²	87	78.9 Å²	78.9	33%	0.328	41%	0.411	S	S	.	.	H	α-helix	trans	-59.3	-42.8	174	-69	158.1	171.8	-110.4	-7.8	111.8	L343 N344 K351 D422	L343-R347 WeakPolarHBondContact O-CD 3.5Å; L343-R347 VanDerWaalsContact O-CG 3.28Å; L343-R347 WeakPolarHBondContact O-CG 3.35Å; L343-R347 PolarHBondContact O-N 2.97Å; N344-R347 WeakPolarHBondContact O-CB 3.31Å; N344-R347 PolarHBondContact O-N 3.45Å; R347-K351 WeakPolarHBondContact O-CB 3.37Å; R347-K351 VanDerWaalsContact O-CG 3.32Å; R347-K351 WeakPolarHBondContact O-CG 3.46Å; R347-K351 PolarHBondContact O-N 3.41Å; R347-D422 IonicContact CZ-OD2 3.16Å; R347-D422 IonicContact NH1-OD2 2.69Å; R347-D422 PolarHBondContact NH1-OD2 3.27Å; R347-D422 IonicContact NH2-OD1 3.95Å; R347-D422 IonicContact NH2-OD2 2.72Å; R347-D422 PolarHBondContact NH2-OD2 2.83Å
348	S	78.9	Confident	73.2	Confident	77 Å²	77	73.9 Å²	73.9	54%	0.538	39%	0.39	S	S	.	.	H	α-helix	trans	-65.4	-45.7	179.2	-165.5	0	0	0	0	112.4	N344 A345 T346 K351 Q352	N344-S348 WeakPolarHBondContact O-CB 3.15Å; N344-S348 PolarHBondContact O-N 2.76Å; A345-S348 PolarHBondContact O-N 3.3Å; T346-S348 VanDerWaalsContact C-N 3.35Å; T346-S348 PolarHBondContact O-N 3.35Å; S348-K351 PolarHBondContact O-N 2.93Å; S348-Q352 PolarHBondContact O-N 3.08Å
349	F	80	Confident	74	Confident	45 Å²	45	74 Å²	74	20%	0.197	39%	0.389	C	S	.	.	H	α-helix	trans	-65.4	-40.2	178.3	-178.1	-120.2	0	0	0	112.3	A345 T346 Q352 M353 L401 L402	A345-F349 WeakPolarHBondContact O-CB 3.36Å; A345-F349 PolarHBondContact O-N 2.89Å; T346-F349 PolarHBondContact O-N 3.06Å; F349-Q352 PolarHBondContact O-N 2.64Å; F349-M353 HydrophobicContact CD1-CE 3.47Å; F349-M353 VanDerWaalsContact CD1-CE 3.47Å; F349-M353 HydrophobicContact CD1-SD 4.48Å; F349-M353 HydrophobicContact CE1-CE 3.26Å; F349-M353 HydrophobicContact CE1-SD 3.81Å; F349-M353 HydrophobicContact CE2-CE 4.35Å; F349-M353 HydrophobicContact CE2-CG 4.42Å; F349-M353 HydrophobicContact CE2-SD 4.24Å; F349-M353 HydrophobicContact CG-CE 4.11Å; F349-M353 HydrophobicContact CZ-CE 3.75Å; F349-M353 HydrophobicContact CZ-CG 4.43Å; F349-M353 HydrophobicContact CZ-SD 3.67Å; F349-M353 PolarHBondContact O-N 3.4Å; F349-M353 VanDerWaalsContact O-N 3.11Å; F349-L401 HydrophobicContact CD1-CB 4.35Å; F349-L401 HydrophobicContact CD1-CD1 4.05Å; F349-L401 HydrophobicContact CE1-CB 4Å; F349-L401 HydrophobicContact CE1-CD1 4.4Å; F349-L402 HydrophobicContact CE1-CD2 4.39Å; F349-L402 HydrophobicContact CE2-CD2 4.4Å; F349-L402 HydrophobicContact CZ-CD2 3.9Å
350	L	78.2	Confident	74.5	Confident	12 Å²	12	72.3 Å²	72.3	6%	0.063	38%	0.384	C	S	.	.	H	α-helix	trans	-66.3	-38.1	173.9	-69.6	168.1	0	0	0	112.3	T346 M353 A354 L401 A412 V413 H416	T346-L350 HydrophobicContact CG2-CD1 3.9Å; T346-L350 WeakPolarHBondContact O-CB 3.3Å; T346-L350 VanDerWaalsContact O-CG 3.25Å; T346-L350 WeakPolarHBondContact O-CG 3.39Å; T346-L350 PolarHBondContact O-N 2.99Å; L350-M353 HydrophobicContact CD2-CE 3.93Å; L350-A354 VanDerWaalsContact O-CB 3.23Å; L350-A354 WeakPolarHBondContact O-CB 3.29Å; L350-A354 PolarHBondContact O-N 2.84Å; L350-L401 HydrophobicContact CD2-CD1 4.18Å; L350-L401 HydrophobicContact CG-CD1 4.36Å; L350-A412 HydrophobicContact CD2-CB 3.86Å; L350-V413 HydrophobicContact CD2-CG2 4.03Å; L350-H416 HydrophobicContact CB-CB 4.12Å; L350-H416 HydrophobicContact CD1-CB 4.23Å; L350-H416 HydrophobicContact CD2-CB 4.45Å
351	K	78.2	Confident	75	Confident	138 Å²	138	67.6 Å²	67.6	60%	0.6	36%	0.363	S	S	*	.	H	α-helix	trans	-63.2	-41	172.9	-79.5	-176.8	177.4	-170.6	0	112.5	R347 S348 A354 S355 H416	R347-K351 WeakPolarHBondContact O-CB 3.37Å; R347-K351 VanDerWaalsContact O-CG 3.32Å; R347-K351 WeakPolarHBondContact O-CG 3.46Å; R347-K351 PolarHBondContact O-N 3.41Å; S348-K351 PolarHBondContact O-N 2.93Å; K351-A354 WeakPolarHBondContact O-CB 3.45Å; K351-A354 PolarHBondContact O-N 2.88Å; K351-S355 PolarHBondContact O-N 3.16Å; K351-S355 PolarHBondContact O-OG 3.44Å; K351-H416 WeakPolarHBondContact CG-NE2 2.98Å
352	Q	81.3	Confident	75	Confident	110 Å²	110	63.7 Å²	63.7	51%	0.514	34%	0.342	S	S	.	.	H	α-helix	trans	-60	-55.2	175.3	-176.7	-179	-11.8	0	0	110.9	S348 F349 A354 S355 E356	S348-Q352 PolarHBondContact O-N 3.08Å; F349-Q352 PolarHBondContact O-N 2.64Å; Q352-A354 PolarHBondContact O-N 3.1Å; Q352-A354 VanDerWaalsContact O-N 3.16Å; Q352-S355 PolarHBondContact O-N 3Å; Q352-S355 PolarHBondContact O-OG 2.97Å; Q352-E356 PolarHBondContact O-N 3.3Å
353	M	77.8	Confident	75.3	Confident	29 Å²	29	64.3 Å²	64.3	14%	0.143	34%	0.343	C	S	.	.	H	α-helix	trans	-64.5	-18.8	177	-66.7	-175.5	-66.9	0	0	113.7	F349 L350 L357 V413	F349-M353 HydrophobicContact CD1-CE 3.47Å; F349-M353 VanDerWaalsContact CD1-CE 3.47Å; F349-M353 HydrophobicContact CD1-SD 4.48Å; F349-M353 HydrophobicContact CE1-CE 3.26Å; F349-M353 HydrophobicContact CE1-SD 3.81Å; F349-M353 HydrophobicContact CE2-CE 4.35Å; F349-M353 HydrophobicContact CE2-CG 4.42Å; F349-M353 HydrophobicContact CE2-SD 4.24Å; F349-M353 HydrophobicContact CG-CE 4.11Å; F349-M353 HydrophobicContact CZ-CE 3.75Å; F349-M353 HydrophobicContact CZ-CG 4.43Å; F349-M353 HydrophobicContact CZ-SD 3.67Å; F349-M353 PolarHBondContact O-N 3.4Å; F349-M353 VanDerWaalsContact O-N 3.11Å; L350-M353 HydrophobicContact CD2-CE 3.93Å; M353-L357 WeakPolarHBondContact O-CD1 3.05Å; M353-L357 WeakPolarHBondContact O-CG 3.48Å; M353-V413 HydrophobicContact CB-CG2 3.67Å; M353-V413 HydrophobicContact CE-CG2 3.71Å; M353-V413 HydrophobicContact SD-CG2 4.16Å
354	A	75.8	Confident	75.9	Confident	20 Å²	20	66.3 Å²	66.3	17%	0.165	35%	0.349	C	S	.	.	H	α-helix	trans	-78.1	-37.9	171.3	0	0	0	0	0	112	L350 K351 Q352 E356 L357 V413 L417	L350-A354 VanDerWaalsContact O-CB 3.23Å; L350-A354 WeakPolarHBondContact O-CB 3.29Å; L350-A354 PolarHBondContact O-N 2.84Å; K351-A354 WeakPolarHBondContact O-CB 3.45Å; K351-A354 PolarHBondContact O-N 2.88Å; Q352-A354 PolarHBondContact O-N 3.1Å; Q352-A354 VanDerWaalsContact O-N 3.16Å; A354-E356 PolarHBondContact O-N 3.34Å; A354-L357 PolarHBondContact O-N 3.27Å; A354-V413 HydrophobicContact CB-CG1 4.27Å; A354-L417 HydrophobicContact CB-CD2 3.89Å; A354-L417 HydrophobicContact CB-CG 4.36Å
355	S	75.3	Confident	76.3	Confident	99 Å²	99	63.5 Å²	63.5	69%	0.692	33%	0.333	S	S	*	.	H	α-helix	trans	-71.2	-12.4	177.6	65.5	0	0	0	0	114.7	K351 Q352 L357	K351-S355 PolarHBondContact O-N 3.16Å; K351-S355 PolarHBondContact O-OG 3.44Å; Q352-S355 PolarHBondContact O-N 3Å; Q352-S355 PolarHBondContact O-OG 2.97Å; S355-L357 VanDerWaalsContact C-N 3.32Å
356	E	73.6	Confident	76.7	Confident	135 Å²	135	62.6 Å²	62.6	63%	0.631	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-0.2	174.3	-69.1	171.5	-170	0	0	113.4	Q352 A354	Q352-E356 PolarHBondContact O-N 3.3Å; A354-E356 PolarHBondContact O-N 3.34Å
357	L	70.6	Confident	77.2	Confident	44 Å²	44	64.8 Å²	64.8	23%	0.23	34%	0.337	C	S	.	.			trans	-109.5	147.4	-172.9	-58.9	167.9	0	0	0	112.6	M353 A354 S355 D361 V413 L417	M353-L357 WeakPolarHBondContact O-CD1 3.05Å; M353-L357 WeakPolarHBondContact O-CG 3.48Å; A354-L357 PolarHBondContact O-N 3.27Å; S355-L357 VanDerWaalsContact C-N 3.32Å; L357-D361 HydrophobicContact CB-CB 4.26Å; L357-D361 HydrophobicContact CD2-CB 3.91Å; L357-D361 WeakPolarHBondContact CD2-OD2 3.42Å; L357-V413 HydrophobicContact CD1-CG1 3.69Å; L357-L417 HydrophobicContact CD1-CD1 3.78Å
358	D	75.3	Confident	77.8	Confident	83 Å²	83	65.8 Å²	65.8	44%	0.444	34%	0.344	S	S	.	.			trans	-99.8	172.5	174	76.8	-18.4	0	0	0	113.1	S360 D361 I362	D358-S360 VanDerWaalsContact CG-CB 3.47Å; D358-S360 PolarHBondContact O-N 3.16Å; D358-S360 VanDerWaalsContact O-N 3.12Å; D358-S360 WeakPolarHBondContact OD1-CA 3.43Å; D358-S360 WeakPolarHBondContact OD1-CB 3.43Å; D358-S360 PolarHBondContact OD1-N 3.41Å; D358-S360 VanDerWaalsContact OD1-N 3.12Å; D358-S360 WeakPolarHBondContact OD2-CB 3.5Å; D358-D361 PolarHBondContact O-N 3.47Å; D358-D361 VanDerWaalsContact O-N 3.15Å; D358-D361 PolarHBondContact OD1-N 2.93Å; D358-I362 PolarHBondContact O-N 3.22Å
359	D	69.7	Low	78.1	Confident	53 Å²	53	62.2 Å²	62.2	28%	0.283	32%	0.319	S	S	.	.	H	α-helix	trans	-46.1	-37.4	168.1	-100.2	14.2	0	0	0	112.7	L8 K363	L8-D359 PolarHBondContact N-OD2 3.23Å; D359-K363 WeakPolarHBondContact O-CB 3.49Å; D359-K363 WeakPolarHBondContact O-CD 3.42Å; D359-K363 WeakPolarHBondContact O-CG 3.41Å; D359-K363 PolarHBondContact O-N 3.16Å
360	S	74.9	Confident	78.5	Confident	51 Å²	51	60.6 Å²	60.6	36%	0.357	31%	0.312	S	S	.	.	H	α-helix	trans	-68.5	-44.5	-176.8	-160.9	0	0	0	0	111	D358 K363 K364	D358-S360 VanDerWaalsContact CG-CB 3.47Å; D358-S360 PolarHBondContact O-N 3.16Å; D358-S360 VanDerWaalsContact O-N 3.12Å; D358-S360 WeakPolarHBondContact OD1-CA 3.43Å; D358-S360 WeakPolarHBondContact OD1-CB 3.43Å; D358-S360 PolarHBondContact OD1-N 3.41Å; D358-S360 VanDerWaalsContact OD1-N 3.12Å; D358-S360 WeakPolarHBondContact OD2-CB 3.5Å; S360-K363 PolarHBondContact O-N 3.28Å; S360-K364 VanDerWaalsContact O-CE 3.29Å; S360-K364 WeakPolarHBondContact O-CE 3.42Å; S360-K364 WeakPolarHBondContact O-CG 3.4Å; S360-K364 PolarHBondContact O-N 3.35Å; S360-K364 WeakPolarHBondContact OG-CE 3.26Å; S360-K364 PolarHBondContact OG-NZ 2.66Å
361	D	76.7	Confident	79.1	Confident	52 Å²	52	64.9 Å²	64.9	28%	0.278	33%	0.332	S	S	.	.	H	α-helix	trans	-68.3	-38.4	175	-79.7	-17	0	0	0	112.4	L357 D358 K363 K364 K365	L357-D361 HydrophobicContact CB-CB 4.26Å; L357-D361 HydrophobicContact CD2-CB 3.91Å; L357-D361 WeakPolarHBondContact CD2-OD2 3.42Å; D358-D361 PolarHBondContact O-N 3.47Å; D358-D361 VanDerWaalsContact O-N 3.15Å; D358-D361 PolarHBondContact OD1-N 2.93Å; D361-K363 VanDerWaalsContact C-N 3.31Å; D361-K363 PolarHBondContact O-N 2.99Å; D361-K364 PolarHBondContact O-N 3.1Å; D361-K364 WeakPolarHBondContact OD1-CD 3.48Å; D361-K364 WeakPolarHBondContact OD1-CE 3.32Å; D361-K364 IonicContact OD1-NZ 2.98Å; D361-K364 PolarHBondContact OD1-NZ 2.8Å; D361-K365 VanDerWaalsContact O-CB 3.23Å; D361-K365 WeakPolarHBondContact O-CB 3.31Å; D361-K365 WeakPolarHBondContact O-CG 3.4Å; D361-K365 PolarHBondContact O-N 2.01Å
362	I	72.2	Confident	79.6	Confident	40 Å²	40	59.4 Å²	59.4	21%	0.205	31%	0.308	C	S	.	.	H	α-helix	trans	-60.5	-42.6	172.3	-62.6	173.5	0	0	0	110.4	D358 K365 L366 L417 F418	D358-I362 PolarHBondContact O-N 3.22Å; I362-K365 WeakPolarHBondContact O-CB 3.26Å; I362-K365 PolarHBondContact O-N 3.19Å; I362-L366 WeakPolarHBondContact O-CB 3.15Å; I362-L366 PolarHBondContact O-N 2.83Å; I362-L417 HydrophobicContact CG1-CD1 4.32Å; I362-F418 HydrophobicContact CG2-CE1 4.12Å; I362-F418 HydrophobicContact CG2-CZ 4.03Å
363	K	75.2	Confident	79.8	Confident	68 Å²	68	58.8 Å²	58.8	30%	0.296	31%	0.312	S	S	.	.	H	α-helix	trans	-65.3	-43.9	174.7	-71.6	164.8	-169.1	-178.4	0	113	F4 D359 S360 D361 K365 L366 S367	F4-K363 HydrophobicContact CB-CD 4.27Å; F4-K363 WeakPolarHBondContact O-CD 3.31Å; F4-K363 WeakPolarHBondContact O-CE 3.3Å; F4-K363 PolarHBondContact O-NZ 2.81Å; D359-K363 WeakPolarHBondContact O-CB 3.49Å; D359-K363 WeakPolarHBondContact O-CD 3.42Å; D359-K363 WeakPolarHBondContact O-CG 3.41Å; D359-K363 PolarHBondContact O-N 3.16Å; S360-K363 PolarHBondContact O-N 3.28Å; D361-K363 VanDerWaalsContact C-N 3.31Å; D361-K363 PolarHBondContact O-N 2.99Å; K363-K365 VanDerWaalsContact C-N 3.3Å; K363-K365 PolarHBondContact O-N 3.43Å; K363-L366 PolarHBondContact O-N 3.16Å; K363-S367 WeakPolarHBondContact O-CB 3.15Å; K363-S367 PolarHBondContact O-N 3.19Å
364	K	82	Confident	80.4	Confident	111 Å²	111	60.8 Å²	60.8	48%	0.483	32%	0.322	S	S	.	.	H	α-helix	trans	-58.5	-43.9	174.9	-70.8	162.2	-139.9	154.8	0	110.6	S360 D361 S367 F368	S360-K364 VanDerWaalsContact O-CE 3.29Å; S360-K364 WeakPolarHBondContact O-CE 3.42Å; S360-K364 WeakPolarHBondContact O-CG 3.4Å; S360-K364 PolarHBondContact O-N 3.35Å; S360-K364 WeakPolarHBondContact OG-CE 3.26Å; S360-K364 PolarHBondContact OG-NZ 2.66Å; D361-K364 PolarHBondContact O-N 3.1Å; D361-K364 WeakPolarHBondContact OD1-CD 3.48Å; D361-K364 WeakPolarHBondContact OD1-CE 3.32Å; D361-K364 IonicContact OD1-NZ 2.98Å; D361-K364 PolarHBondContact OD1-NZ 2.8Å; K364-S367 PolarHBondContact O-N 3.22Å; K364-F368 WeakPolarHBondContact O-CB 3.37Å; K364-F368 PolarHBondContact O-N 3.38Å
365	K	80.8	Confident	81.2	Confident	26 Å²	26	59.9 Å²	59.9	11%	0.113	32%	0.315	C	S	.	.	H	α-helix	trans	-63.7	-48.4	177.6	-77	175.1	176.3	-160.7	0	112.7	D361 I362 K363 S367 F368 I369 I414 L417 F418	D361-K365 VanDerWaalsContact O-CB 3.23Å; D361-K365 WeakPolarHBondContact O-CB 3.31Å; D361-K365 WeakPolarHBondContact O-CG 3.4Å; D361-K365 PolarHBondContact O-N 2.01Å; I362-K365 WeakPolarHBondContact O-CB 3.26Å; I362-K365 PolarHBondContact O-N 3.19Å; K363-K365 VanDerWaalsContact C-N 3.3Å; K363-K365 PolarHBondContact O-N 3.43Å; K365-S367 VanDerWaalsContact C-N 3.33Å; K365-S367 PolarHBondContact O-N 3.31Å; K365-F368 WeakPolarHBondContact O-CB 3.36Å; K365-F368 PolarHBondContact O-N 3.17Å; K365-I369 WeakPolarHBondContact O-CD1 3.08Å; K365-I369 PolarHBondContact O-N 3.49Å; K365-I414 HydrophobicContact CB-CD1 4.28Å; K365-I414 HydrophobicContact CB-CG1 3.84Å; K365-I414 HydrophobicContact CD-CD1 4.44Å; K365-I414 HydrophobicContact CD-CG1 3.59Å; K365-I414 HydrophobicContact CG-CD1 3.94Å; K365-I414 HydrophobicContact CG-CG1 3.55Å; K365-L417 HydrophobicContact CD-CD1 4.1Å; K365-F418 HydrophobicContact CB-CE2 4.22Å
366	L	84	Confident	81.8	Confident	27 Å²	27	58.2 Å²	58.2	14%	0.141	30%	0.3	C	S	.	.	H	α-helix	trans	-64.1	-40.2	176.2	-167.8	61	0	0	0	111.6	F284 I362 K363 I369 L370 F418 L441	F284-L366 HydrophobicContact CE2-CD2 4.45Å; F284-L366 HydrophobicContact CZ-CD2 4.48Å; I362-L366 WeakPolarHBondContact O-CB 3.15Å; I362-L366 PolarHBondContact O-N 2.83Å; K363-L366 PolarHBondContact O-N 3.16Å; L366-I369 HydrophobicContact CD1-CD1 4.5Å; L366-I369 PolarHBondContact O-N 3.09Å; L366-L370 HydrophobicContact CG-CD1 4.1Å; L366-L370 WeakPolarHBondContact O-CB 3.34Å; L366-L370 VanDerWaalsContact O-CG 3.31Å; L366-L370 WeakPolarHBondContact O-CG 3.45Å; L366-L370 PolarHBondContact O-N 2.85Å; L366-F418 HydrophobicContact CB-CE1 4.45Å; L366-F418 HydrophobicContact CB-CZ 3.87Å; L366-F418 HydrophobicContact CD1-CE1 4Å; L366-F418 HydrophobicContact CD1-CE2 4.43Å; L366-F418 HydrophobicContact CD1-CZ 3.96Å; L366-F418 HydrophobicContact CG-CZ 4.45Å; L366-L441 HydrophobicContact CD1-CD2 3.75Å; L366-L441 HydrophobicContact CD2-CD2 4.44Å; L366-L441 HydrophobicContact CG-CD2 4.4Å
367	S	86.5	Confident	82.1	Confident	53 Å²	53	59.1 Å²	59.1	37%	0.371	30%	0.298	S	S	.	.	H	α-helix	trans	-61.3	-42.4	174.3	-170.7	0	0	0	0	111.9	K363 K364 K365 I369 L370 H371	K363-S367 WeakPolarHBondContact O-CB 3.15Å; K363-S367 PolarHBondContact O-N 3.19Å; K364-S367 PolarHBondContact O-N 3.22Å; K365-S367 VanDerWaalsContact C-N 3.33Å; K365-S367 PolarHBondContact O-N 3.31Å; S367-I369 PolarHBondContact O-N 2.82Å; S367-L370 PolarHBondContact O-N 3.08Å; S367-H371 PolarHBondContact O-N 3.41Å; S367-H371 PolarHBondContact O-ND1 2.67Å; S367-H371 PolarHBondContact OG-CE1 3.3Å; S367-H371 VanDerWaalsContact OG-CE1 3.31Å; S367-H371 PolarHBondContact OG-ND1 3.46Å
368	F	86.2	Confident	82.1	Confident	109 Å²	109	66 Å²	66	48%	0.478	33%	0.329	S	S	.	.	H	α-helix	trans	-57	-48.5	175.8	171.7	-97.3	0	0	0	112	K364 K365 H371 Q372 I414	K364-F368 WeakPolarHBondContact O-CB 3.37Å; K364-F368 PolarHBondContact O-N 3.38Å; K365-F368 WeakPolarHBondContact O-CB 3.36Å; K365-F368 PolarHBondContact O-N 3.17Å; F368-H371 PolarHBondContact O-N 2.89Å; F368-Q372 PolarHBondContact O-N 2.8Å; F368-I414 HydrophobicContact CD1-CD1 4.49Å
369	I	85.7	Confident	81.8	Confident	2 Å²	2	65.8 Å²	65.8	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-59.5	-48.4	175.8	-62.2	151.2	0	0	0	110.8	K365 L366 S367 H371 Q372 F382 E385 F389 I414 F418	K365-I369 WeakPolarHBondContact O-CD1 3.08Å; K365-I369 PolarHBondContact O-N 3.49Å; L366-I369 HydrophobicContact CD1-CD1 4.5Å; L366-I369 PolarHBondContact O-N 3.09Å; S367-I369 PolarHBondContact O-N 2.82Å; I369-H371 PolarHBondContact O-N 2.98Å; I369-Q372 WeakPolarHBondContact O-CB 3.44Å; I369-Q372 WeakPolarHBondContact O-CG 3.44Å; I369-Q372 PolarHBondContact O-N 3.45Å; I369-Q372 VanDerWaalsContact O-N 3.15Å; I369-F382 HydrophobicContact CG2-CD2 3.95Å; I369-F382 HydrophobicContact CG2-CE2 4.1Å; I369-E385 HydrophobicContact CG2-CB 4.17Å; I369-F389 HydrophobicContact CD1-CZ 3.73Å; I369-I414 HydrophobicContact CD1-CG2 3.62Å; I369-I414 HydrophobicContact CG1-CG2 4.23Å; I369-F418 HydrophobicContact CD1-CD2 3.87Å; I369-F418 HydrophobicContact CD1-CE2 3.78Å
370	L	89.6	Confident	82.1	Confident	10 Å²	10	66.3 Å²	66.3	5%	0.052	34%	0.336	C	S	.	.	H	α-helix	trans	-67.2	-19.4	-177.1	-72	172.8	0	0	0	114.2	L366 S367 F382 L441 R444 W445 I448 N449	L366-L370 HydrophobicContact CG-CD1 4.1Å; L366-L370 WeakPolarHBondContact O-CB 3.34Å; L366-L370 VanDerWaalsContact O-CG 3.31Å; L366-L370 WeakPolarHBondContact O-CG 3.45Å; L366-L370 PolarHBondContact O-N 2.85Å; S367-L370 PolarHBondContact O-N 3.08Å; L370-F382 HydrophobicContact CD2-CE2 4.37Å; L370-L441 HydrophobicContact CD2-CD2 4.2Å; L370-L441 WeakPolarHBondContact CD2-O 3.09Å; L370-R444 HydrophobicContact CD1-CG 3.95Å; L370-R444 HydrophobicContact CD2-CB 3.99Å; L370-R444 HydrophobicContact CD2-CG 4.08Å; L370-W445 HydrophobicContact CD2-CB 4.18Å; L370-I448 HydrophobicContact CB-CD1 3.9Å; L370-N449 PolarHBondContact O-ND2 3.22Å
371	H	90.5	Very high	82.7	Confident	103 Å²	103	63.9 Å²	63.9	48%	0.477	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	10.9	175.4	-65.3	85.5	0	0	0	113.5	S367 F368 I369 T373 I448	S367-H371 PolarHBondContact O-N 3.41Å; S367-H371 PolarHBondContact O-ND1 2.67Å; S367-H371 PolarHBondContact OG-CE1 3.3Å; S367-H371 VanDerWaalsContact OG-CE1 3.31Å; S367-H371 PolarHBondContact OG-ND1 3.46Å; F368-H371 PolarHBondContact O-N 2.89Å; I369-H371 PolarHBondContact O-N 2.98Å; H371-T373 PolarHBondContact O-N 2.96Å; H371-T373 VanDerWaalsContact O-N 3.15Å; H371-I448 VanDerWaalsContact CD2-CG2 3.49Å; H371-I448 WeakPolarHBondContact CD2-CG2 3.25Å
372	Q	87.3	Confident	83.4	Confident	23 Å²	23	61.4 Å²	61.4	11%	0.107	31%	0.306	C	S	.	.			trans	-66.5	110.3	168.5	-70.1	-177.8	-2.3	0	0	109.6	F368 I369 I374 D380 G381 F382 W445	F368-Q372 PolarHBondContact O-N 2.8Å; I369-Q372 WeakPolarHBondContact O-CB 3.44Å; I369-Q372 WeakPolarHBondContact O-CG 3.44Å; I369-Q372 PolarHBondContact O-N 3.45Å; I369-Q372 VanDerWaalsContact O-N 3.15Å; Q372-I374 PolarHBondContact O-N 2.95Å; Q372-I374 VanDerWaalsContact O-N 3.13Å; Q372-D380 PolarHBondContact OE1-O 2.86Å; Q372-G381 PolarHBondContact OE1-O 2.92Å; Q372-F382 VanDerWaalsContact OE1-CA 3.25Å; Q372-W445 PolarHBondContact O-NE1 3.23Å
373	T	87.2	Confident	84.4	Confident	96 Å²	96	59.5 Å²	59.5	59%	0.589	30%	0.297	S	S	*	.			trans	-72.8	-4.2	-175.2	54.8	0	0	0	0	114.6	H371 Q455	H371-T373 PolarHBondContact O-N 2.96Å; H371-T373 VanDerWaalsContact O-N 3.15Å; T373-Q455 PolarHBondContact O-NE2 3.08Å
374	I	89.8	Confident	85	Confident	71 Å²	71	57 Å²	57	36%	0.364	29%	0.286	S	S	.	.			trans	-118	126.2	-175.7	-54.6	170.1	0	0	0	109.5	Q372 V376 R377 F382	Q372-I374 PolarHBondContact O-N 2.95Å; Q372-I374 VanDerWaalsContact O-N 3.13Å; I374-V376 VanDerWaalsContact CG2-O 3.29Å; I374-V376 WeakPolarHBondContact CG2-O 3.45Å; I374-R377 HydrophobicContact CG2-CB 3.98Å; I374-F382 PolarHBondContact O-N 3.49Å; I374-F382 VanDerWaalsContact O-N 3.08Å
375	Y	91.6	Very high	85.3	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.008	26%	0.264	C	S	.	.	S	Bend	trans	-66.2	-45.3	-177.2	-177	-117.4	0	0	0	113.9	G250 P253 F382 A383 F442 W445 I456 F483	G250-Y375 WeakPolarHBondContact O-CE1 3.4Å; G250-Y375 VanDerWaalsContact O-CZ 3.3Å; G250-Y375 PolarHBondContact O-OH 3.07Å; P253-Y375 HydrophobicContact CB-CE2 4.06Å; P253-Y375 WeakPolarHBondContact CD-OH 3.2Å; P253-Y375 HydrophobicContact CG-CE2 3.79Å; P253-Y375 WeakPolarHBondContact CG-OH 3.49Å; Y375-F382 HydrophobicContact CD2-CD1 4.38Å; Y375-F382 PolarHBondContact O-N 3.29Å; Y375-F382 VanDerWaalsContact O-N 3.13Å; Y375-A383 HydrophobicContact CD2-CB 4.37Å; Y375-A383 HydrophobicContact CE1-CB 4.45Å; Y375-A383 HydrophobicContact CE2-CB 4.08Å; Y375-A383 VanDerWaalsContact O-CB 3.3Å; Y375-A383 WeakPolarHBondContact O-CB 3.49Å; Y375-A383 PolarHBondContact O-N 3.37Å; Y375-F442 AromaticContact CE2-CE2 3.92Å; Y375-F442 HydrophobicContact CE2-CE2 3.92Å; Y375-F442 HydrophobicContact CE2-CZ 4.41Å; Y375-W445 AromaticContact CD2-CH2 3.57Å; Y375-W445 HydrophobicContact CD2-CH2 3.57Å; Y375-W445 HydrophobicContact CD2-CZ2 4.23Å; Y375-W445 AromaticContact CD2-CZ3 3.74Å; Y375-W445 HydrophobicContact CD2-CZ3 3.74Å; Y375-W445 HydrophobicContact CE2-CZ3 4.35Å; Y375-W445 HydrophobicContact CG-CH2 4.1Å; Y375-I456 HydrophobicContact CD1-CG1 4.38Å; Y375-I456 HydrophobicContact CE1-CG1 4.11Å; Y375-F483 HydrophobicContact CD1-CE2 4.27Å; Y375-F483 AromaticContact CD2-CE2 3.76Å; Y375-F483 HydrophobicContact CD2-CE2 3.76Å; Y375-F483 HydrophobicContact CD2-CZ 4.37Å; Y375-F483 HydrophobicContact CE1-CE2 4.24Å; Y375-F483 HydrophobicContact CE2-CD2 4.39Å; Y375-F483 AromaticContact CE2-CE2 3.68Å; Y375-F483 HydrophobicContact CE2-CE2 3.68Å; Y375-F483 HydrophobicContact CG-CE2 4.06Å; Y375-F483 HydrophobicContact CG-CZ 4.48Å; Y375-F483 AromaticContact CZ-CE2 3.94Å
376	V	88	Confident	85.8	Confident	63 Å²	63	50.6 Å²	50.6	38%	0.382	26%	0.259	S	S	.	.			trans	-137.6	133.1	178.4	173.5	0	0	0	0	108.5	I374 A383	I374-V376 VanDerWaalsContact CG2-O 3.29Å; I374-V376 WeakPolarHBondContact CG2-O 3.45Å; V376-A383 HydrophobicContact CG2-CB 3.96Å
377	R	79.8	Confident	86	Confident	155 Å²	155	50.4 Å²	50.4	59%	0.585	26%	0.258	S	S	*	.			trans	-158.7	79.4	179.5	-170.9	-162.8	178.4	165.5	0.9	111.2	I374 S379 D380 D384	I374-R377 HydrophobicContact CG2-CB 3.98Å; R377-S379 VanDerWaalsContact C-N 3.32Å; R377-S379 PolarHBondContact O-N 3.02Å; R377-S379 VanDerWaalsContact O-N 3.09Å; R377-D380 WeakPolarHBondContact O-CA 3.33Å; R377-D380 WeakPolarHBondContact O-CB 3.37Å; R377-D380 PolarHBondContact O-N 3.44Å; R377-D384 PolarHBondContact N-OD2 2.8Å
378	E	71	Confident	86	Confident	189 Å²	189	48.2 Å²	48.2	88%	0.883	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	41.5	53.7	166.8	-62.5	-173.3	160.7	0	0	114.5
379	S	68.4	Low	86.1	Confident	77 Å²	77	43 Å²	43	54%	0.538	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	6.3	-178.3	-34.7	0	0	0	0	117.1	R377 R415	R377-S379 VanDerWaalsContact C-N 3.32Å; R377-S379 PolarHBondContact O-N 3.02Å; R377-S379 VanDerWaalsContact O-N 3.09Å; S379-R415 PolarHBondContact O-NH2 3.08Å
380	D	76.1	Confident	86	Confident	64 Å²	64	43.9 Å²	43.9	34%	0.342	22%	0.224	S	C	.	.			trans	-133.9	7	-172.3	-104.5	30.7	0	0	0	114.2	Q372 R377 K411 R415	Q372-D380 PolarHBondContact OE1-O 2.86Å; R377-D380 WeakPolarHBondContact O-CA 3.33Å; R377-D380 WeakPolarHBondContact O-CB 3.37Å; R377-D380 PolarHBondContact O-N 3.44Å; D380-K411 WeakPolarHBondContact OD1-CE 3.41Å; D380-K411 IonicContact OD1-NZ 3.79Å; D380-K411 PolarHBondContact OD1-NZ 3.31Å; D380-K411 IonicContact OD2-NZ 3.41Å; D380-K411 PolarHBondContact OD2-NZ 3.14Å; D380-R415 IonicContact OD1-NH2 3.76Å
381	G	87.6	Confident	85.3	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.01	23%	0.234	C	C	.	.	S	Bend	trans	-92.2	168.8	173.5	0	0	0	0	0	114	Q372 A383 D384 E385	Q372-G381 PolarHBondContact OE1-O 2.92Å; G381-A383 VanDerWaalsContact C-N 3.35Å; G381-A383 PolarHBondContact O-N 2.94Å; G381-D384 WeakPolarHBondContact CA-OD2 3.35Å; G381-D384 PolarHBondContact N-OD2 2.97Å; G381-D384 WeakPolarHBondContact O-CA 3.08Å; G381-D384 VanDerWaalsContact O-CB 3.31Å; G381-D384 WeakPolarHBondContact O-CB 3.47Å; G381-D384 PolarHBondContact O-N 3.49Å; G381-E385 PolarHBondContact O-N 2.88Å
382	F	93	Very high	84	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.2	-44.3	-174.7	171.5	-100	0	0	0	113.4	P253 I369 L370 Q372 I374 Y375 D384 E385 L386 F442 W445	P253-F382 HydrophobicContact CG-CE1 4.48Å; I369-F382 HydrophobicContact CG2-CD2 3.95Å; I369-F382 HydrophobicContact CG2-CE2 4.1Å; L370-F382 HydrophobicContact CD2-CE2 4.37Å; Q372-F382 VanDerWaalsContact OE1-CA 3.25Å; I374-F382 PolarHBondContact O-N 3.49Å; I374-F382 VanDerWaalsContact O-N 3.08Å; Y375-F382 HydrophobicContact CD2-CD1 4.38Å; Y375-F382 PolarHBondContact O-N 3.29Å; Y375-F382 VanDerWaalsContact O-N 3.13Å; F382-D384 VanDerWaalsContact C-N 3.3Å; F382-D384 PolarHBondContact O-N 2.78Å; F382-E385 PolarHBondContact O-N 3.48Å; F382-L386 HydrophobicContact CE1-CD1 3.66Å; F382-L386 HydrophobicContact CE1-CG 4.06Å; F382-L386 HydrophobicContact CE2-CD1 4.42Å; F382-L386 HydrophobicContact CE2-CD2 4.28Å; F382-L386 HydrophobicContact CE2-CG 4.23Å; F382-L386 HydrophobicContact CZ-CD1 3.55Å; F382-L386 HydrophobicContact CZ-CD2 4.17Å; F382-L386 HydrophobicContact CZ-CG 3.83Å; F382-L386 PolarHBondContact O-N 2.91Å; F382-L386 VanDerWaalsContact O-N 3.12Å; F382-F442 HydrophobicContact CE1-CB 4.25Å; F382-F442 AromaticContact CE1-CD2 3.78Å; F382-F442 HydrophobicContact CE1-CD2 3.78Å; F382-F442 HydrophobicContact CE1-CG 4.41Å; F382-F442 HydrophobicContact CZ-CB 4.42Å; F382-W445 HydrophobicContact CB-CD2 4.33Å; F382-W445 HydrophobicContact CB-CG 4.42Å; F382-W445 HydrophobicContact CB-CZ2 4.34Å; F382-W445 HydrophobicContact CD1-CB 4.35Å; F382-W445 AromaticContact CD1-CD2 3.64Å; F382-W445 HydrophobicContact CD1-CD2 3.64Å; F382-W445 AromaticContact CD1-CE2 3.99Å; F382-W445 AromaticContact CD1-CE3 3.98Å; F382-W445 HydrophobicContact CD1-CE3 3.98Å; F382-W445 AromaticContact CD1-CG 3.78Å; F382-W445 HydrophobicContact CD1-CG 3.78Å; F382-W445 HydrophobicContact CD2-CB 3.99Å; F382-W445 AromaticContact CD2-CD1 3.3Å; F382-W445 HydrophobicContact CD2-CD2 4.25Å; F382-W445 AromaticContact CD2-CG 3.59Å; F382-W445 HydrophobicContact CD2-CG 3.59Å; F382-W445 AromaticContact CD2-NE1 3.87Å; F382-W445 HydrophobicContact CE1-CB 3.97Å; F382-W445 HydrophobicContact CE1-CD2 4.01Å; F382-W445 HydrophobicContact CE1-CE3 4.16Å; F382-W445 AromaticContact CE1-CG 3.91Å; F382-W445 HydrophobicContact CE1-CG 3.91Å; F382-W445 HydrophobicContact CE2-CB 3.56Å; F382-W445 AromaticContact CE2-CD1 3.81Å; F382-W445 AromaticContact CE2-CG 3.7Å; F382-W445 HydrophobicContact CE2-CG 3.7Å; F382-W445 HydrophobicContact CG-CB 4.36Å; F382-W445 AromaticContact CG-CD1 3.45Å; F382-W445 VanDerWaalsContact CG-CD1 3.45Å; F382-W445 AromaticContact CG-CD2 3.78Å; F382-W445 HydrophobicContact CG-CD2 3.78Å; F382-W445 AromaticContact CG-CE2 3.81Å; F382-W445 AromaticContact CG-CG 3.62Å; F382-W445 HydrophobicContact CG-CG 3.62Å; F382-W445 AromaticContact CG-NE1 3.57Å; F382-W445 HydrophobicContact CZ-CB 3.54Å; F382-W445 HydrophobicContact CZ-CD2 4.44Å; F382-W445 AromaticContact CZ-CG 3.86Å; F382-W445 HydrophobicContact CZ-CG 3.86Å
383	A	92.4	Very high	82.2	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-68.6	-30.1	176.4	0	0	0	0	0	112.2	P253 Y375 V376 G381 N387	P253-A383 HydrophobicContact CG-CB 3.64Å; Y375-A383 HydrophobicContact CD2-CB 4.37Å; Y375-A383 HydrophobicContact CE1-CB 4.45Å; Y375-A383 HydrophobicContact CE2-CB 4.08Å; Y375-A383 VanDerWaalsContact O-CB 3.3Å; Y375-A383 WeakPolarHBondContact O-CB 3.49Å; Y375-A383 PolarHBondContact O-N 3.37Å; V376-A383 HydrophobicContact CG2-CB 3.96Å; G381-A383 VanDerWaalsContact C-N 3.35Å; G381-A383 PolarHBondContact O-N 2.94Å; A383-N387 WeakPolarHBondContact O-CB 3.3Å; A383-N387 PolarHBondContact O-N 3.21Å
384	D	88	Confident	80.1	Confident	15 Å²	15	47.8 Å²	47.8	8%	0.08	25%	0.249	C	C	.	.	H	α-helix	trans	-69.4	-38.2	177.3	-54.5	-49.3	0	0	0	111.1	R377 G381 F382 N387 A388	R377-D384 PolarHBondContact N-OD2 2.8Å; G381-D384 WeakPolarHBondContact CA-OD2 3.35Å; G381-D384 PolarHBondContact N-OD2 2.97Å; G381-D384 WeakPolarHBondContact O-CA 3.08Å; G381-D384 VanDerWaalsContact O-CB 3.31Å; G381-D384 WeakPolarHBondContact O-CB 3.47Å; G381-D384 PolarHBondContact O-N 3.49Å; F382-D384 VanDerWaalsContact C-N 3.3Å; F382-D384 PolarHBondContact O-N 2.78Å; D384-N387 PolarHBondContact O-N 3.37Å; D384-A388 PolarHBondContact O-N 3.39Å
385	E	87.6	Confident	78.1	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-66.4	-47.5	171.8	-67.4	-64.8	170.2	0	0	112	I369 G381 F382 N387 A388 F389 R415	I369-E385 HydrophobicContact CG2-CB 4.17Å; G381-E385 PolarHBondContact O-N 2.88Å; F382-E385 PolarHBondContact O-N 3.48Å; E385-N387 VanDerWaalsContact C-N 3.25Å; E385-N387 PolarHBondContact O-N 2.82Å; E385-A388 WeakPolarHBondContact O-CB 3.32Å; E385-A388 PolarHBondContact O-N 2.85Å; E385-F389 HydrophobicContact CB-CE1 4.47Å; E385-F389 HydrophobicContact CB-CZ 4.42Å; E385-F389 WeakPolarHBondContact O-CD1 3.27Å; E385-F389 VanDerWaalsContact O-CE1 3.3Å; E385-F389 WeakPolarHBondContact O-CE1 3.37Å; E385-F389 WeakPolarHBondContact O-CG 3.33Å; E385-F389 PolarHBondContact O-N 3.13Å; E385-R415 VanDerWaalsContact CD-NH2 3.28Å; E385-R415 IonicContact OE1-CZ 3.63Å; E385-R415 IonicContact OE1-NE 3.98Å; E385-R415 PolarHBondContact OE1-NE 3.3Å; E385-R415 IonicContact OE1-NH2 3.89Å; E385-R415 PolarHBondContact OE1-NH2 2.89Å; E385-R415 VanDerWaalsContact OE2-CG 3.28Å; E385-R415 WeakPolarHBondContact OE2-CG 3.19Å; E385-R415 IonicContact OE2-CZ 2.74Å; E385-R415 IonicContact OE2-NE 2.62Å; E385-R415 PolarHBondContact OE2-NE 2.78Å; E385-R415 IonicContact OE2-NH2 3.22Å; E385-R415 PolarHBondContact OE2-NH2 3.13Å
386	L	91.6	Very high	76	Confident	2 Å²	2	47 Å²	47	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-60.3	-37.3	175	-66.7	-159.9	0	0	0	111.9	L252 P253 F382 A388 F389 L438 L441	L252-L386 HydrophobicContact CD2-CB 4.08Å; L252-L386 WeakPolarHBondContact CD2-O 3.4Å; P253-L386 HydrophobicContact CG-CD1 4.32Å; F382-L386 HydrophobicContact CE1-CD1 3.66Å; F382-L386 HydrophobicContact CE1-CG 4.06Å; F382-L386 HydrophobicContact CE2-CD1 4.42Å; F382-L386 HydrophobicContact CE2-CD2 4.28Å; F382-L386 HydrophobicContact CE2-CG 4.23Å; F382-L386 HydrophobicContact CZ-CD1 3.55Å; F382-L386 HydrophobicContact CZ-CD2 4.17Å; F382-L386 HydrophobicContact CZ-CG 3.83Å; F382-L386 PolarHBondContact O-N 2.91Å; F382-L386 VanDerWaalsContact O-N 3.12Å; L386-A388 VanDerWaalsContact C-N 3.32Å; L386-A388 PolarHBondContact O-N 3.08Å; L386-F389 HydrophobicContact CD2-CD2 3.85Å; L386-F389 HydrophobicContact CD2-CE2 3.57Å; L386-F389 HydrophobicContact CD2-CZ 4.46Å; L386-F389 WeakPolarHBondContact O-CB 3.47Å; L386-F389 PolarHBondContact O-N 3.13Å; L386-F389 VanDerWaalsContact O-N 3.17Å; L386-L438 HydrophobicContact CD2-CD2 4.05Å; L386-L441 HydrophobicContact CD2-CB 4.33Å; L386-L441 HydrophobicContact CD2-CD1 4.05Å
387	N	89.2	Confident	74.4	Confident	22 Å²	22	46.5 Å²	46.5	12%	0.118	25%	0.249	C	C	.	.	H	α-helix	trans	-64.1	-37.6	175	179.7	78.9	0	0	0	111.8	Y249 L252 A383 D384 E385 F389 I390 F391	Y249-N387 VanDerWaalsContact N-CG 3.33Å; Y249-N387 PolarHBondContact N-OD1 3.42Å; L252-N387 HydrophobicContact CD2-CB 4.24Å; A383-N387 WeakPolarHBondContact O-CB 3.3Å; A383-N387 PolarHBondContact O-N 3.21Å; D384-N387 PolarHBondContact O-N 3.37Å; E385-N387 VanDerWaalsContact C-N 3.25Å; E385-N387 PolarHBondContact O-N 2.82Å; N387-F389 VanDerWaalsContact C-N 3.25Å; N387-F389 PolarHBondContact O-N 2.76Å; N387-I390 PolarHBondContact O-N 3.15Å; N387-F391 HydrophobicContact CB-CD2 4.49Å; N387-F391 WeakPolarHBondContact O-CD2 3.2Å; N387-F391 PolarHBondContact O-N 3.47Å; N387-F391 WeakPolarHBondContact OD1-CD2 3.25Å; N387-F391 WeakPolarHBondContact OD1-CE2 3.3Å
388	A	85.7	Confident	73.2	Confident	7 Å²	7	40.7 Å²	40.7	6%	0.058	23%	0.231	C	C	.	.	H	α-helix	trans	-66	-23.6	173.9	0	0	0	0	0	113.6	D384 E385 L386 Q392 R415	D384-A388 PolarHBondContact O-N 3.39Å; E385-A388 WeakPolarHBondContact O-CB 3.32Å; E385-A388 PolarHBondContact O-N 2.85Å; L386-A388 VanDerWaalsContact C-N 3.32Å; L386-A388 PolarHBondContact O-N 3.08Å; A388-Q392 HydrophobicContact CB-CG 4.49Å; A388-Q392 WeakPolarHBondContact O-CB 3.24Å; A388-R415 HydrophobicContact CB-CB 4.33Å; A388-R415 HydrophobicContact CB-CG 3.8Å
389	F	87.6	Confident	72.3	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-73.9	-32.9	177.7	-59	-9.4	0	0	0	113	W283 I369 E385 L386 N387 F418 K419 F420 L438 L441	W283-F389 HydrophobicContact CZ2-CD2 4.49Å; I369-F389 HydrophobicContact CD1-CZ 3.73Å; E385-F389 HydrophobicContact CB-CE1 4.47Å; E385-F389 HydrophobicContact CB-CZ 4.42Å; E385-F389 WeakPolarHBondContact O-CD1 3.27Å; E385-F389 VanDerWaalsContact O-CE1 3.3Å; E385-F389 WeakPolarHBondContact O-CE1 3.37Å; E385-F389 WeakPolarHBondContact O-CG 3.33Å; E385-F389 PolarHBondContact O-N 3.13Å; L386-F389 HydrophobicContact CD2-CD2 3.85Å; L386-F389 HydrophobicContact CD2-CE2 3.57Å; L386-F389 HydrophobicContact CD2-CZ 4.46Å; L386-F389 WeakPolarHBondContact O-CB 3.47Å; L386-F389 PolarHBondContact O-N 3.13Å; L386-F389 VanDerWaalsContact O-N 3.17Å; N387-F389 VanDerWaalsContact C-N 3.25Å; N387-F389 PolarHBondContact O-N 2.76Å; F389-F418 WeakPolarHBondContact CB-O 3.28Å; F389-F418 HydrophobicContact CD1-CB 3.65Å; F389-F418 HydrophobicContact CD2-CB 3.86Å; F389-F418 HydrophobicContact CE1-CB 3.58Å; F389-F418 HydrophobicContact CE1-CD2 4.15Å; F389-F418 HydrophobicContact CE1-CG 4.27Å; F389-F418 HydrophobicContact CE2-CB 3.76Å; F389-F418 HydrophobicContact CE2-CG 4.27Å; F389-F418 HydrophobicContact CG-CB 3.84Å; F389-F418 HydrophobicContact CZ-CB 3.64Å; F389-F418 AromaticContact CZ-CD2 3.92Å; F389-F418 HydrophobicContact CZ-CD2 3.92Å; F389-F418 HydrophobicContact CZ-CG 4.01Å; F389-K419 CarbonylContact O-C 3.47Å; F389-K419 WeakPolarHBondContact O-CA 3.37Å; F389-K419 WeakPolarHBondContact O-CG 3.07Å; F389-F420 PolarHBondContact O-N 3.46Å; F389-L438 HydrophobicContact CD2-CD2 4.06Å; F389-L441 HydrophobicContact CE2-CD1 4.37Å
390	I	84.5	Confident	71.7	Confident	20 Å²	20	34.5 Å²	34.5	10%	0.103	21%	0.208	C	C	.	.	H	α-helix	trans	-91.6	-56	178	-50	-179.7	0	0	0	111.2	L252 N387 F420 L435 L438	L252-I390 HydrophobicContact CD1-CD1 3.66Å; L252-I390 HydrophobicContact CD2-CD1 3.76Å; L252-I390 HydrophobicContact CD2-CG1 4.34Å; L252-I390 HydrophobicContact CG-CD1 4.35Å; N387-I390 PolarHBondContact O-N 3.15Å; I390-F420 HydrophobicContact CG1-CD1 4.41Å; I390-F420 HydrophobicContact CG1-CE1 4.25Å; I390-F420 HydrophobicContact CG1-CZ 4.47Å; I390-L435 HydrophobicContact CD1-CD2 4.12Å; I390-L438 HydrophobicContact CD1-CD1 3.55Å; I390-L438 HydrophobicContact CG1-CD1 3.78Å
391	F	74.8	Confident	71	Confident	59 Å²	59	31.5 Å²	31.5	26%	0.259	19%	0.192	S	C	.	.	H	α-helix	trans	-99	-9.6	-155.8	-61.2	-79.1	0	0	0	115.4	R247 N248 L252 N387 G393	R247-F391 HydrophobicContact CG-CZ 4.09Å; N248-F391 VanDerWaalsContact OD1-CE1 3.29Å; N248-F391 WeakPolarHBondContact OD1-CE1 3.5Å; N248-F391 WeakPolarHBondContact OD1-CZ 3.23Å; L252-F391 HydrophobicContact CD1-CE2 4.11Å; L252-F391 HydrophobicContact CD2-CE2 4.08Å; N387-F391 HydrophobicContact CB-CD2 4.49Å; N387-F391 WeakPolarHBondContact O-CD2 3.2Å; N387-F391 PolarHBondContact O-N 3.47Å; N387-F391 WeakPolarHBondContact OD1-CD2 3.25Å; N387-F391 WeakPolarHBondContact OD1-CE2 3.3Å; F391-G393 PolarHBondContact O-N 3.15Å
392	Q	62.2	Low	69.7	Low	49 Å²	49	36 Å²	36	23%	0.229	22%	0.215	C	C	.	.			trans	-21.1	82.4	-157	-145.9	-177.8	19.5	0	0	116.8	A388 R394	A388-Q392 HydrophobicContact CB-CG 4.49Å; A388-Q392 WeakPolarHBondContact O-CB 3.24Å; Q392-R394 PolarHBondContact O-N 2.75Å
393	G	49.5	Very low	68.3	Low	72 Å²	72	43 Å²	43	74%	0.742	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	127.7	173.1	0	0	0	0	0	110.3	F391 G395	F391-G393 PolarHBondContact O-N 3.15Å; G393-G395 PolarHBondContact O-N 3.38Å
394	R	43.1	Very low	67.1	Low	135 Å²	135	46.2 Å²	46.2	51%	0.509	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	32.3	68.2	179.8	-68.4	-172.4	-179.7	136.5	-1.6	114	D334 D335 Q392	D334-R394 PolarHBondContact O-NH2 2.92Å; D334-R394 IonicContact OD1-CZ 2.77Å; D334-R394 IonicContact OD1-NH1 3.57Å; D334-R394 PolarHBondContact OD1-NH1 3.09Å; D334-R394 IonicContact OD1-NH2 3.87Å; D334-R394 PolarHBondContact OD1-NH2 3.45Å; D334-R394 IonicContact OD2-CZ 2.78Å; D334-R394 IonicContact OD2-NH1 3.27Å; D334-R394 PolarHBondContact OD2-NH1 2.95Å; D334-R394 VanDerWaalsContact OD2-NH1 3.17Å; D334-R394 IonicContact OD2-NH2 2.68Å; D335-R394 IonicContact OD1-NH2 2.99Å; Q392-R394 PolarHBondContact O-N 2.75Å
395	G	48	Very low	66.5	Low	21 Å²	21	49.3 Å²	49.3	22%	0.216	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-49.9	143.8	164.6	0	0	0	0	0	110.9	G393 V397	G393-G395 PolarHBondContact O-N 3.38Å; G395-V397 PolarHBondContact O-N 3.34Å
396	P	48.2	Very low	65.9	Low	35 Å²	35	58.4 Å²	58.4	23%	0.227	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-60.5	122.2	-168	24.1	-35.8	0	0	0	112.1	T346 L401 F404 A412	T346-P396 WeakPolarHBondContact CG2-O 3.39Å; P396-L401 HydrophobicContact CB-CD2 4.18Å; P396-L401 HydrophobicContact CB-CG 4.21Å; P396-L401 HydrophobicContact CG-CD2 3.66Å; P396-L401 HydrophobicContact CG-CG 4.06Å; P396-L401 WeakPolarHBondContact O-CD1 3.04Å; P396-F404 HydrophobicContact CB-CE2 3.67Å; P396-F404 HydrophobicContact CB-CZ 4.1Å; P396-F404 HydrophobicContact CG-CE2 4.08Å; P396-A412 HydrophobicContact CG-CB 4.36Å
397	V	53.9	Low	65	Low	52 Å²	52	61.3 Å²	61.3	32%	0.315	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-48.2	140.1	173.3	165.6	0	0	0	0	111.5	M342 G395 G399 L400 L401	M342-V397 HydrophobicContact CE-CG2 3.68Å; M342-V397 HydrophobicContact CG-CG1 3.76Å; M342-V397 HydrophobicContact CG-CG2 4.32Å; M342-V397 HydrophobicContact SD-CB 4.14Å; M342-V397 HydrophobicContact SD-CG1 3.4Å; M342-V397 WeakPolarHBondContact SD-CG1 3.4Å; M342-V397 HydrophobicContact SD-CG2 3.62Å; G395-V397 PolarHBondContact O-N 3.34Å; V397-G399 PolarHBondContact O-N 3.22Å; V397-L400 WeakPolarHBondContact O-CB 3.18Å; V397-L400 PolarHBondContact O-N 3.47Å; V397-L401 PolarHBondContact O-N 3.31Å
398	V	54	Low	64.2	Low	33 Å²	33	62.7 Å²	62.7	20%	0.2	35%	0.354	C	S	.	.	H	α-helix	trans	-41.2	-47.8	-179.1	-162.1	0	0	0	0	113.9	A345 T346 L400 L401 L402	A345-V398 HydrophobicContact CB-CG2 3.77Å; T346-V398 WeakPolarHBondContact OG1-CG2 3.42Å; T346-V398 PolarHBondContact OG1-N 3.11Å; V398-L400 PolarHBondContact O-N 2.98Å; V398-L401 PolarHBondContact O-N 3.07Å; V398-L401 VanDerWaalsContact O-N 3.08Å; V398-L402 PolarHBondContact O-N 2.91Å
399	G	52.1	Low	63.6	Low	46 Å²	46	66.7 Å²	66.7	47%	0.474	37%	0.367	S	S	.	.	H	α-helix	trans	-62.1	-23.7	-177.7	0	0	0	0	0	114.4	V397	V397-G399 PolarHBondContact O-N 3.22Å
400	L	56.6	Low	63	Low	91 Å²	91	68.5 Å²	68.5	48%	0.476	38%	0.383	S	S	.	.	H	α-helix	trans	-82.1	-43.2	171.4	-71	168.2	0	0	0	111.3	V397 V398 L402 N403 F404	V397-L400 WeakPolarHBondContact O-CB 3.18Å; V397-L400 PolarHBondContact O-N 3.47Å; V398-L400 PolarHBondContact O-N 2.98Å; L400-L402 PolarHBondContact O-N 2.93Å; L400-L402 VanDerWaalsContact O-N 3.16Å; L400-N403 CarbonylContact O-C 3.54Å; L400-N403 PolarHBondContact O-N 3.27Å; L400-F404 HydrophobicContact CB-CD1 4.21Å; L400-F404 HydrophobicContact CB-CE1 3.71Å; L400-F404 HydrophobicContact CB-CZ 3.93Å; L400-F404 HydrophobicContact CD2-CE1 4.21Å; L400-F404 HydrophobicContact CG-CE1 4.45Å; L400-F404 WeakPolarHBondContact O-CD1 3.34Å; L400-F404 VanDerWaalsContact O-CG 3.3Å; L400-F404 WeakPolarHBondContact O-CG 3.34Å; L400-F404 PolarHBondContact O-N 2.9Å
401	L	60.8	Low	62.6	Low	0 Å²	0	69 Å²	69	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-57	-32.2	179.7	-74.5	175.5	0	0	0	113.5	T346 F349 L350 P396 V397 V398 F404 R409 A412	T346-L401 HydrophobicContact CG2-CD1 4.05Å; F349-L401 HydrophobicContact CD1-CB 4.35Å; F349-L401 HydrophobicContact CD1-CD1 4.05Å; F349-L401 HydrophobicContact CE1-CB 4Å; F349-L401 HydrophobicContact CE1-CD1 4.4Å; L350-L401 HydrophobicContact CD2-CD1 4.18Å; L350-L401 HydrophobicContact CG-CD1 4.36Å; P396-L401 HydrophobicContact CB-CD2 4.18Å; P396-L401 HydrophobicContact CB-CG 4.21Å; P396-L401 HydrophobicContact CG-CD2 3.66Å; P396-L401 HydrophobicContact CG-CG 4.06Å; P396-L401 WeakPolarHBondContact O-CD1 3.04Å; V397-L401 PolarHBondContact O-N 3.31Å; V398-L401 PolarHBondContact O-N 3.07Å; V398-L401 VanDerWaalsContact O-N 3.08Å; L401-F404 HydrophobicContact CD2-CD2 3.96Å; L401-F404 HydrophobicContact CD2-CE2 4.46Å; L401-R409 WeakPolarHBondContact O-CG 3.33Å; L401-R409 PolarHBondContact O-NE 3.48Å; L401-A412 HydrophobicContact CD2-CB 3.55Å
402	L	61.9	Low	62.7	Low	96 Å²	96	66.5 Å²	66.5	50%	0.503	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-30.5	174.9	-66.4	175.8	0	0	0	113.1	F349 V398 L400 R409	F349-L402 HydrophobicContact CE1-CD2 4.39Å; F349-L402 HydrophobicContact CE2-CD2 4.4Å; F349-L402 HydrophobicContact CZ-CD2 3.9Å; V398-L402 PolarHBondContact O-N 2.91Å; L400-L402 PolarHBondContact O-N 2.93Å; L400-L402 VanDerWaalsContact O-N 3.16Å; L402-R409 PolarHBondContact O-NH2 3.43Å
403	N	63	Low	63.5	Low	147 Å²	147	64.4 Å²	64.4	79%	0.786	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-11	176.7	-70.1	-16.1	0	0	0	113.7	L400	L400-N403 CarbonylContact O-C 3.54Å; L400-N403 PolarHBondContact O-N 3.27Å
404	F	68.1	Low	64.9	Low	68 Å²	68	61.4 Å²	61.4	30%	0.298	33%	0.332	S	S	.	.	S	Bend	trans	-69.1	154.3	-179.6	-87.2	15.4	0	0	0	113.9	P396 L400 L401 D408 R409	P396-F404 HydrophobicContact CB-CE2 3.67Å; P396-F404 HydrophobicContact CB-CZ 4.1Å; P396-F404 HydrophobicContact CG-CE2 4.08Å; L400-F404 HydrophobicContact CB-CD1 4.21Å; L400-F404 HydrophobicContact CB-CE1 3.71Å; L400-F404 HydrophobicContact CB-CZ 3.93Å; L400-F404 HydrophobicContact CD2-CE1 4.21Å; L400-F404 HydrophobicContact CG-CE1 4.45Å; L400-F404 WeakPolarHBondContact O-CD1 3.34Å; L400-F404 VanDerWaalsContact O-CG 3.3Å; L400-F404 WeakPolarHBondContact O-CG 3.34Å; L400-F404 PolarHBondContact O-N 2.9Å; L401-F404 HydrophobicContact CD2-CD2 3.96Å; L401-F404 HydrophobicContact CD2-CE2 4.46Å; F404-D408 HydrophobicContact CB-CB 4.03Å; F404-D408 HydrophobicContact CD2-CB 3.63Å; F404-D408 HydrophobicContact CE2-CB 4.35Å; F404-D408 HydrophobicContact CG-CB 4.03Å; F404-R409 HydrophobicContact CB-CG 4.21Å; F404-R409 PolarHBondContact O-NE 3.36Å
405	T	74.8	Confident	66.9	Low	79 Å²	79	57 Å²	57	49%	0.485	32%	0.315	S	S	.	.			trans	-67.1	164.4	178.5	80.5	0	0	0	0	111.4	S407 D408 R409	T405-S407 PolarHBondContact O-N 2.94Å; T405-S407 VanDerWaalsContact O-N 3.17Å; T405-S407 WeakPolarHBondContact OG1-CB 3.4Å; T405-S407 PolarHBondContact OG1-N 3.45Å; T405-S407 VanDerWaalsContact OG1-N 3.16Å; T405-D408 VanDerWaalsContact CB-OD2 3.31Å; T405-D408 WeakPolarHBondContact CB-OD2 3.36Å; T405-D408 WeakPolarHBondContact CG2-OD2 3.49Å; T405-D408 PolarHBondContact N-OD2 2.86Å; T405-D408 PolarHBondContact O-N 3.29Å; T405-D408 VanDerWaalsContact O-N 3.15Å; T405-D408 PolarHBondContact OG1-N 2.75Å; T405-D408 PolarHBondContact OG1-OD2 3.34Å; T405-R409 WeakPolarHBondContact O-CG 3.44Å; T405-R409 PolarHBondContact O-N 3.03Å
406	K	74	Confident	68.4	Low	193 Å²	193	57.9 Å²	57.9	84%	0.839	31%	0.313	S	S	*	.	H	α-helix	trans	-55.2	-31.7	171.5	-67.1	-172.3	178.9	-175.8	0	112.3	A410	K406-A410 VanDerWaalsContact O-CB 3.31Å; K406-A410 WeakPolarHBondContact O-CB 3.3Å; K406-A410 PolarHBondContact O-N 3.22Å; K406-A410 VanDerWaalsContact O-N 3.1Å
407	S	72.3	Confident	69.9	Low	63 Å²	63	58.1 Å²	58.1	44%	0.441	31%	0.313	S	S	.	.	H	α-helix	trans	-67.6	-49.3	176.4	-168.2	0	0	0	0	111.3	T405 R409 A410 K411	T405-S407 PolarHBondContact O-N 2.94Å; T405-S407 VanDerWaalsContact O-N 3.17Å; T405-S407 WeakPolarHBondContact OG1-CB 3.4Å; T405-S407 PolarHBondContact OG1-N 3.45Å; T405-S407 VanDerWaalsContact OG1-N 3.16Å; S407-R409 PolarHBondContact O-N 2.99Å; S407-A410 CarbonylContact O-C 3.51Å; S407-A410 WeakPolarHBondContact O-CA 3.44Å; S407-A410 WeakPolarHBondContact O-CB 3.41Å; S407-A410 PolarHBondContact O-N 2.8Å; S407-A410 VanDerWaalsContact O-N 3.09Å; S407-K411 WeakPolarHBondContact O-CG 3.46Å; S407-K411 PolarHBondContact O-N 2.7Å
408	D	73.2	Confident	71.4	Confident	51 Å²	51	55.6 Å²	55.6	27%	0.273	30%	0.298	S	S	.	.	H	α-helix	trans	-73.9	-32.5	-173.9	-46.4	-58.4	0	0	0	112	F404 T405 K411 A412	F404-D408 HydrophobicContact CB-CB 4.03Å; F404-D408 HydrophobicContact CD2-CB 3.63Å; F404-D408 HydrophobicContact CE2-CB 4.35Å; F404-D408 HydrophobicContact CG-CB 4.03Å; T405-D408 VanDerWaalsContact CB-OD2 3.31Å; T405-D408 WeakPolarHBondContact CB-OD2 3.36Å; T405-D408 WeakPolarHBondContact CG2-OD2 3.49Å; T405-D408 PolarHBondContact N-OD2 2.86Å; T405-D408 PolarHBondContact O-N 3.29Å; T405-D408 VanDerWaalsContact O-N 3.15Å; T405-D408 PolarHBondContact OG1-N 2.75Å; T405-D408 PolarHBondContact OG1-OD2 3.34Å; D408-K411 PolarHBondContact O-N 2.98Å; D408-K411 IonicContact OD1-NZ 2.91Å; D408-A412 WeakPolarHBondContact O-CB 3.23Å; D408-A412 PolarHBondContact O-N 3.4Å
409	R	74.1	Confident	72.9	Confident	90 Å²	90	56.7 Å²	56.7	34%	0.34	30%	0.299	S	S	.	.	H	α-helix	trans	-62.4	-43.6	166.3	-66.1	-174.3	-166.9	167.1	6.7	111.4	L401 L402 F404 T405 S407 A412 V413	L401-R409 WeakPolarHBondContact O-CG 3.33Å; L401-R409 PolarHBondContact O-NE 3.48Å; L402-R409 PolarHBondContact O-NH2 3.43Å; F404-R409 HydrophobicContact CB-CG 4.21Å; F404-R409 PolarHBondContact O-NE 3.36Å; T405-R409 WeakPolarHBondContact O-CG 3.44Å; T405-R409 PolarHBondContact O-N 3.03Å; S407-R409 PolarHBondContact O-N 2.99Å; R409-A412 PolarHBondContact O-N 2.63Å; R409-V413 WeakPolarHBondContact O-CG2 3.49Å; R409-V413 PolarHBondContact O-N 2.9Å
410	A	74	Confident	74.5	Confident	39 Å²	39	54.9 Å²	54.9	32%	0.322	28%	0.279	S	S	.	.	H	α-helix	trans	-61.6	-45.7	176.1	0	0	0	0	0	111.6	K406 S407 A412 V413 I414	K406-A410 VanDerWaalsContact O-CB 3.31Å; K406-A410 WeakPolarHBondContact O-CB 3.3Å; K406-A410 PolarHBondContact O-N 3.22Å; K406-A410 VanDerWaalsContact O-N 3.1Å; S407-A410 CarbonylContact O-C 3.51Å; S407-A410 WeakPolarHBondContact O-CA 3.44Å; S407-A410 WeakPolarHBondContact O-CB 3.41Å; S407-A410 PolarHBondContact O-N 2.8Å; S407-A410 VanDerWaalsContact O-N 3.09Å; A410-A412 PolarHBondContact O-N 2.93Å; A410-V413 PolarHBondContact O-N 3.29Å; A410-I414 WeakPolarHBondContact O-CB 3.44Å; A410-I414 WeakPolarHBondContact O-CG1 3.29Å; A410-I414 PolarHBondContact O-N 2.91Å
411	K	76	Confident	75.6	Confident	30 Å²	30	53 Å²	53	13%	0.13	27%	0.272	C	S	.	.	H	α-helix	trans	-56	-44.9	172	-70.1	177.3	-177	177.6	0	112.4	D380 S407 D408 V413 I414 R415	D380-K411 WeakPolarHBondContact OD1-CE 3.41Å; D380-K411 IonicContact OD1-NZ 3.79Å; D380-K411 PolarHBondContact OD1-NZ 3.31Å; D380-K411 IonicContact OD2-NZ 3.41Å; D380-K411 PolarHBondContact OD2-NZ 3.14Å; S407-K411 WeakPolarHBondContact O-CG 3.46Å; S407-K411 PolarHBondContact O-N 2.7Å; D408-K411 PolarHBondContact O-N 2.98Å; D408-K411 IonicContact OD1-NZ 2.91Å; K411-V413 PolarHBondContact O-N 2.85Å; K411-I414 WeakPolarHBondContact O-CB 3.29Å; K411-I414 PolarHBondContact O-N 2.96Å; K411-R415 WeakPolarHBondContact O-CB 3.41Å; K411-R415 WeakPolarHBondContact O-CG 3.22Å; K411-R415 PolarHBondContact O-N 3.42Å
412	A	77.8	Confident	76.1	Confident	7 Å²	7	57.5 Å²	57.5	6%	0.058	30%	0.296	C	S	.	.	H	α-helix	trans	-62.2	-42.6	179.1	0	0	0	0	0	112	L350 P396 L401 D408 R409 A410 H416	L350-A412 HydrophobicContact CD2-CB 3.86Å; P396-A412 HydrophobicContact CG-CB 4.36Å; L401-A412 HydrophobicContact CD2-CB 3.55Å; D408-A412 WeakPolarHBondContact O-CB 3.23Å; D408-A412 PolarHBondContact O-N 3.4Å; R409-A412 PolarHBondContact O-N 2.63Å; A410-A412 PolarHBondContact O-N 2.93Å; A412-H416 WeakPolarHBondContact O-CB 3.14Å; A412-H416 PolarHBondContact O-N 2.99Å
413	V	78.6	Confident	76.5	Confident	5 Å²	5	57.3 Å²	57.3	3%	0.03	30%	0.303	C	S	.	.	H	α-helix	trans	-71.9	-34.8	175.9	-176.8	0	0	0	0	112	L350 M353 A354 L357 R409 A410 K411 H416 L417	L350-V413 HydrophobicContact CD2-CG2 4.03Å; M353-V413 HydrophobicContact CB-CG2 3.67Å; M353-V413 HydrophobicContact CE-CG2 3.71Å; M353-V413 HydrophobicContact SD-CG2 4.16Å; A354-V413 HydrophobicContact CB-CG1 4.27Å; L357-V413 HydrophobicContact CD1-CG1 3.69Å; R409-V413 WeakPolarHBondContact O-CG2 3.49Å; R409-V413 PolarHBondContact O-N 2.9Å; A410-V413 PolarHBondContact O-N 3.29Å; K411-V413 PolarHBondContact O-N 2.85Å; V413-H416 PolarHBondContact O-N 3.41Å; V413-L417 HydrophobicContact CG1-CD1 4.01Å; V413-L417 HydrophobicContact CG1-CG 4.26Å; V413-L417 WeakPolarHBondContact O-CB 3.26Å; V413-L417 VanDerWaalsContact O-CG 3.28Å; V413-L417 WeakPolarHBondContact O-CG 3.33Å; V413-L417 PolarHBondContact O-N 2.83Å
414	I	79.7	Confident	77.2	Confident	8 Å²	8	51.1 Å²	51.1	4%	0.041	27%	0.27	C	S	.	.	H	α-helix	trans	-55.5	-55.9	170.4	-74.5	165.8	0	0	0	110	K365 F368 I369 A410 K411 H416 L417 F418	K365-I414 HydrophobicContact CB-CD1 4.28Å; K365-I414 HydrophobicContact CB-CG1 3.84Å; K365-I414 HydrophobicContact CD-CD1 4.44Å; K365-I414 HydrophobicContact CD-CG1 3.59Å; K365-I414 HydrophobicContact CG-CD1 3.94Å; K365-I414 HydrophobicContact CG-CG1 3.55Å; F368-I414 HydrophobicContact CD1-CD1 4.49Å; I369-I414 HydrophobicContact CD1-CG2 3.62Å; I369-I414 HydrophobicContact CG1-CG2 4.23Å; A410-I414 WeakPolarHBondContact O-CB 3.44Å; A410-I414 WeakPolarHBondContact O-CG1 3.29Å; A410-I414 PolarHBondContact O-N 2.91Å; K411-I414 WeakPolarHBondContact O-CB 3.29Å; K411-I414 PolarHBondContact O-N 2.96Å; I414-H416 PolarHBondContact O-N 3.09Å; I414-L417 PolarHBondContact O-N 2.69Å; I414-F418 HydrophobicContact CG2-CD2 3.85Å; I414-F418 HydrophobicContact CG2-CE2 4.06Å; I414-F418 WeakPolarHBondContact O-CD2 3.16Å; I414-F418 PolarHBondContact O-N 3.46Å; I414-F418 VanDerWaalsContact O-N 3.07Å
415	R	83.6	Confident	77.6	Confident	42 Å²	42	49.2 Å²	49.2	16%	0.158	27%	0.265	C	S	.	.	H	α-helix	trans	-65	-29.1	-178.1	-66	169.1	-175.6	-172.5	5.1	112.1	S379 D380 E385 A388 K411 K419	S379-R415 PolarHBondContact O-NH2 3.08Å; D380-R415 IonicContact OD1-NH2 3.76Å; E385-R415 VanDerWaalsContact CD-NH2 3.28Å; E385-R415 IonicContact OE1-CZ 3.63Å; E385-R415 IonicContact OE1-NE 3.98Å; E385-R415 PolarHBondContact OE1-NE 3.3Å; E385-R415 IonicContact OE1-NH2 3.89Å; E385-R415 PolarHBondContact OE1-NH2 2.89Å; E385-R415 VanDerWaalsContact OE2-CG 3.28Å; E385-R415 WeakPolarHBondContact OE2-CG 3.19Å; E385-R415 IonicContact OE2-CZ 2.74Å; E385-R415 IonicContact OE2-NE 2.62Å; E385-R415 PolarHBondContact OE2-NE 2.78Å; E385-R415 IonicContact OE2-NH2 3.22Å; E385-R415 PolarHBondContact OE2-NH2 3.13Å; A388-R415 HydrophobicContact CB-CB 4.33Å; A388-R415 HydrophobicContact CB-CG 3.8Å; K411-R415 WeakPolarHBondContact O-CB 3.41Å; K411-R415 WeakPolarHBondContact O-CG 3.22Å; K411-R415 PolarHBondContact O-N 3.42Å; R415-K419 WeakPolarHBondContact O-CB 3.02Å; R415-K419 PolarHBondContact O-N 3.17Å
416	H	80	Confident	77.9	Confident	40 Å²	40	45.7 Å²	45.7	19%	0.185	24%	0.243	C	C	.	.	H	α-helix	trans	-70.5	-48.9	172.6	-172.3	60.4	0	0	0	113	L350 K351 A412 V413 I414 F418 K419	L350-H416 HydrophobicContact CB-CB 4.12Å; L350-H416 HydrophobicContact CD1-CB 4.23Å; L350-H416 HydrophobicContact CD2-CB 4.45Å; K351-H416 WeakPolarHBondContact CG-NE2 2.98Å; A412-H416 WeakPolarHBondContact O-CB 3.14Å; A412-H416 PolarHBondContact O-N 2.99Å; V413-H416 PolarHBondContact O-N 3.41Å; I414-H416 PolarHBondContact O-N 3.09Å; H416-F418 PolarHBondContact O-N 2.79Å; H416-K419 WeakPolarHBondContact O-CB 3.32Å; H416-K419 PolarHBondContact O-N 3.1Å
417	L	79	Confident	78	Confident	40 Å²	40	37.3 Å²	37.3	21%	0.209	21%	0.207	C	C	.	.	H	α-helix	trans	-60.1	-43.1	179.8	-77.5	165.2	0	0	0	112.5	F284 A354 L357 I362 K365 V413 I414	F284-L417 WeakPolarHBondContact CB-O 3.06Å; A354-L417 HydrophobicContact CB-CD2 3.89Å; A354-L417 HydrophobicContact CB-CG 4.36Å; L357-L417 HydrophobicContact CD1-CD1 3.78Å; I362-L417 HydrophobicContact CG1-CD1 4.32Å; K365-L417 HydrophobicContact CD-CD1 4.1Å; V413-L417 HydrophobicContact CG1-CD1 4.01Å; V413-L417 HydrophobicContact CG1-CG 4.26Å; V413-L417 WeakPolarHBondContact O-CB 3.26Å; V413-L417 VanDerWaalsContact O-CG 3.28Å; V413-L417 WeakPolarHBondContact O-CG 3.33Å; V413-L417 PolarHBondContact O-N 2.83Å; I414-L417 PolarHBondContact O-N 2.69Å
418	F	86.1	Confident	78.2	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	2.3	-178.8	-60	-59.3	0	0	0	113.3	W283 F284 I362 K365 L366 I369 F389 I414 H416	W283-F418 WeakPolarHBondContact CZ2-O 3.43Å; W283-F418 PolarHBondContact NE1-O 2.83Å; F284-F418 HydrophobicContact CB-CD1 4.04Å; F284-F418 AromaticContact CD1-CD1 3.72Å; F284-F418 HydrophobicContact CD1-CD1 3.72Å; F284-F418 HydrophobicContact CD1-CE1 4.42Å; F284-F418 AromaticContact CD2-CD1 3.72Å; F284-F418 HydrophobicContact CD2-CD1 3.72Å; F284-F418 AromaticContact CD2-CE1 3.63Å; F284-F418 HydrophobicContact CD2-CE1 3.63Å; F284-F418 HydrophobicContact CE1-CD1 4.04Å; F284-F418 HydrophobicContact CE2-CD1 4.05Å; F284-F418 AromaticContact CE2-CE1 3.78Å; F284-F418 HydrophobicContact CE2-CE1 3.78Å; F284-F418 AromaticContact CG-CD1 3.55Å; F284-F418 HydrophobicContact CG-CD1 3.55Å; F284-F418 AromaticContact CG-CE1 3.98Å; F284-F418 HydrophobicContact CG-CE1 3.98Å; F284-F418 HydrophobicContact CZ-CD1 4.19Å; F284-F418 HydrophobicContact CZ-CE1 4.23Å; I362-F418 HydrophobicContact CG2-CE1 4.12Å; I362-F418 HydrophobicContact CG2-CZ 4.03Å; K365-F418 HydrophobicContact CB-CE2 4.22Å; L366-F418 HydrophobicContact CB-CE1 4.45Å; L366-F418 HydrophobicContact CB-CZ 3.87Å; L366-F418 HydrophobicContact CD1-CE1 4Å; L366-F418 HydrophobicContact CD1-CE2 4.43Å; L366-F418 HydrophobicContact CD1-CZ 3.96Å; L366-F418 HydrophobicContact CG-CZ 4.45Å; I369-F418 HydrophobicContact CD1-CD2 3.87Å; I369-F418 HydrophobicContact CD1-CE2 3.78Å; F389-F418 WeakPolarHBondContact CB-O 3.28Å; F389-F418 HydrophobicContact CD1-CB 3.65Å; F389-F418 HydrophobicContact CD2-CB 3.86Å; F389-F418 HydrophobicContact CE1-CB 3.58Å; F389-F418 HydrophobicContact CE1-CD2 4.15Å; F389-F418 HydrophobicContact CE1-CG 4.27Å; F389-F418 HydrophobicContact CE2-CB 3.76Å; F389-F418 HydrophobicContact CE2-CG 4.27Å; F389-F418 HydrophobicContact CG-CB 3.84Å; F389-F418 HydrophobicContact CZ-CB 3.64Å; F389-F418 AromaticContact CZ-CD2 3.92Å; F389-F418 HydrophobicContact CZ-CD2 3.92Å; F389-F418 HydrophobicContact CZ-CG 4.01Å; I414-F418 HydrophobicContact CG2-CD2 3.85Å; I414-F418 HydrophobicContact CG2-CE2 4.06Å; I414-F418 WeakPolarHBondContact O-CD2 3.16Å; I414-F418 PolarHBondContact O-N 3.46Å; I414-F418 VanDerWaalsContact O-N 3.07Å; H416-F418 PolarHBondContact O-N 2.79Å
419	K	85.5	Confident	78.7	Confident	55 Å²	55	32 Å²	32	24%	0.239	17%	0.174	C	C	.	.	S	Bend	trans	-62.5	141.6	177.5	-155.3	-155	168.4	-165.8	0	110.8	W283 F389 R415 H416 D422	W283-K419 PolarHBondContact NE1-O 3.48Å; W283-K419 VanDerWaalsContact NE1-O 3.1Å; F389-K419 CarbonylContact O-C 3.47Å; F389-K419 WeakPolarHBondContact O-CA 3.37Å; F389-K419 WeakPolarHBondContact O-CG 3.07Å; R415-K419 WeakPolarHBondContact O-CB 3.02Å; R415-K419 PolarHBondContact O-N 3.17Å; H416-K419 WeakPolarHBondContact O-CB 3.32Å; H416-K419 PolarHBondContact O-N 3.1Å; K419-D422 IonicContact NZ-OD1 2.66Å; K419-D422 PolarHBondContact NZ-OD1 3.01Å
420	F	84.7	Confident	79.3	Confident	8 Å²	8	28 Å²	28	4%	0.035	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-58.2	137.9	164	-83.5	43.1	0	0	0	109.2	W283 F389 I390 L424 Y431 A434 L435 L438	W283-F420 HydrophobicContact CD2-CD1 4.06Å; W283-F420 AromaticContact CD2-CE1 3.95Å; W283-F420 HydrophobicContact CD2-CE1 3.95Å; W283-F420 AromaticContact CE2-CD1 3.57Å; W283-F420 AromaticContact CE2-CE1 3.62Å; W283-F420 HydrophobicContact CE3-CE1 4.04Å; W283-F420 HydrophobicContact CE3-CZ 4.42Å; W283-F420 HydrophobicContact CH2-CD1 4.4Å; W283-F420 AromaticContact CH2-CE1 3.65Å; W283-F420 HydrophobicContact CH2-CE1 3.65Å; W283-F420 HydrophobicContact CH2-CZ 4.46Å; W283-F420 AromaticContact CZ2-CD1 3.78Å; W283-F420 HydrophobicContact CZ2-CD1 3.78Å; W283-F420 AromaticContact CZ2-CE1 3.48Å; W283-F420 HydrophobicContact CZ2-CE1 3.48Å; W283-F420 VanDerWaalsContact CZ2-CE1 3.48Å; W283-F420 AromaticContact CZ3-CE1 3.91Å; W283-F420 HydrophobicContact CZ3-CE1 3.91Å; W283-F420 HydrophobicContact CZ3-CZ 4.35Å; W283-F420 AromaticContact NE1-CD1 3.76Å; F389-F420 PolarHBondContact O-N 3.46Å; I390-F420 HydrophobicContact CG1-CD1 4.41Å; I390-F420 HydrophobicContact CG1-CE1 4.25Å; I390-F420 HydrophobicContact CG1-CZ 4.47Å; F420-L424 HydrophobicContact CD2-CD2 3.76Å; F420-L424 HydrophobicContact CD2-CG 4.26Å; F420-L424 HydrophobicContact CE2-CD2 4.23Å; F420-L424 HydrophobicContact CG-CD2 4.31Å; F420-Y431 HydrophobicContact CD2-CD2 4.36Å; F420-Y431 AromaticContact CD2-CE2 3.76Å; F420-Y431 HydrophobicContact CD2-CE2 3.76Å; F420-Y431 AromaticContact CD2-CZ 3.93Å; F420-Y431 HydrophobicContact CE2-CD2 4.43Å; F420-Y431 HydrophobicContact CE2-CE1 4.19Å; F420-Y431 HydrophobicContact CE2-CE2 4.02Å; F420-Y431 AromaticContact CE2-CZ 3.87Å; F420-A434 HydrophobicContact CD2-CB 4.48Å; F420-A434 HydrophobicContact CE1-CB 4.41Å; F420-A434 HydrophobicContact CE2-CB 3.67Å; F420-A434 HydrophobicContact CZ-CB 3.62Å; F420-L435 HydrophobicContact CE2-CD2 4.13Å; F420-L435 HydrophobicContact CZ-CD2 4.05Å; F420-L438 HydrophobicContact CE1-CD1 3.67Å; F420-L438 HydrophobicContact CE1-CD2 4.3Å; F420-L438 HydrophobicContact CE1-CG 3.96Å; F420-L438 HydrophobicContact CZ-CD1 3.63Å; F420-L438 HydrophobicContact CZ-CG 4.12Å
421	P	80	Confident	79.9	Confident	51 Å²	51	27 Å²	27	33%	0.331	15%	0.147	S	C	.	.	P	Polyproline II helix	trans	-58	144	173.5	-23.3	34	0	0	0	111.4	S423 L424	P421-S423 PolarHBondContact O-N 2.93Å; P421-S423 VanDerWaalsContact O-N 3.13Å; P421-L424 HydrophobicContact CB-CB 4.24Å; P421-L424 HydrophobicContact CG-CB 4.42Å; P421-L424 WeakPolarHBondContact O-CB 3.22Å; P421-L424 PolarHBondContact O-N 3.45Å
422	D	71.4	Confident	80.8	Confident	96 Å²	96	25.6 Å²	25.6	51%	0.513	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-20	179.6	-74.9	6.2	0	0	0	113.3	R347 K419	R347-D422 IonicContact CZ-OD2 3.16Å; R347-D422 IonicContact NH1-OD2 2.69Å; R347-D422 PolarHBondContact NH1-OD2 3.27Å; R347-D422 IonicContact NH2-OD1 3.95Å; R347-D422 IonicContact NH2-OD2 2.72Å; R347-D422 PolarHBondContact NH2-OD2 2.83Å; K419-D422 IonicContact NZ-OD1 2.66Å; K419-D422 PolarHBondContact NZ-OD1 3.01Å
423	S	70.4	Confident	81.5	Confident	92 Å²	92	25.3 Å²	25.3	64%	0.643	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-9.6	174.1	53.7	0	0	0	0	114.2	P421 S425	P421-S423 PolarHBondContact O-N 2.93Å; P421-S423 VanDerWaalsContact O-N 3.13Å; S423-S425 PolarHBondContact O-N 3.08Å
424	L	77.6	Confident	82.2	Confident	17 Å²	17	25 Å²	25	9%	0.089	14%	0.137	C	C	.	.			trans	-89	100.1	-177.7	-173.2	55.5	0	0	0	108.7	W281 F420 P421 L430 Y431 A434	W281-L424 HydrophobicContact CH2-CD2 4.11Å; W281-L424 HydrophobicContact CZ3-CD1 4.02Å; W281-L424 HydrophobicContact CZ3-CD2 3.67Å; F420-L424 HydrophobicContact CD2-CD2 3.76Å; F420-L424 HydrophobicContact CD2-CG 4.26Å; F420-L424 HydrophobicContact CE2-CD2 4.23Å; F420-L424 HydrophobicContact CG-CD2 4.31Å; P421-L424 HydrophobicContact CB-CB 4.24Å; P421-L424 HydrophobicContact CG-CB 4.42Å; P421-L424 WeakPolarHBondContact O-CB 3.22Å; P421-L424 PolarHBondContact O-N 3.45Å; L424-L430 HydrophobicContact CD1-CB 3.76Å; L424-Y431 HydrophobicContact CB-CD2 4.48Å; L424-Y431 HydrophobicContact CD1-CD2 4.15Å; L424-Y431 HydrophobicContact CG-CD2 3.69Å; L424-Y431 HydrophobicContact CG-CE2 4.28Å; L424-Y431 WeakPolarHBondContact O-CD2 3.44Å; L424-Y431 WeakPolarHBondContact O-CE2 3.32Å; L424-A434 HydrophobicContact CD2-CB 3.92Å
425	S	77.5	Confident	82.9	Confident	28 Å²	28	24.7 Å²	24.7	20%	0.196	14%	0.135	C	C	.	.			trans	-109	159	178.8	93.1	0	0	0	0	112.6	S423 E427 S428 Y431	S423-S425 PolarHBondContact O-N 3.08Å; S425-E427 VanDerWaalsContact CB-OE2 3.23Å; S425-E427 WeakPolarHBondContact CB-OE2 3.43Å; S425-E427 PolarHBondContact O-N 3.35Å; S425-E427 PolarHBondContact OG-OE2 3.25Å; S425-S428 WeakPolarHBondContact O-CB 3.47Å; S425-S428 PolarHBondContact O-N 3.41Å; S425-Y431 VanDerWaalsContact O-CB 3.24Å; S425-Y431 WeakPolarHBondContact O-CB 3.44Å; S425-Y431 WeakPolarHBondContact O-CD2 3.41Å
426	A	80.3	Confident	83.5	Confident	4 Å²	4	22.7 Å²	22.7	3%	0.033	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-16.8	-175.4	0	0	0	0	0	113.7	Y233 S428 Y431 Y432	Y233-A426 HydrophobicContact CD1-CB 3.56Å; Y233-A426 HydrophobicContact CE1-CB 3.99Å; Y233-A426 HydrophobicContact CG-CB 4.29Å; A426-S428 VanDerWaalsContact C-N 3.29Å; A426-Y431 HydrophobicContact CB-CD1 4.3Å; A426-Y431 HydrophobicContact CB-CE1 4.42Å; A426-Y432 VanDerWaalsContact O-CE2 3.23Å; A426-Y432 WeakPolarHBondContact O-CE2 3.48Å; A426-Y432 PolarHBondContact O-OH 2.73Å
427	E	75.6	Confident	84.2	Confident	17 Å²	17	20.8 Å²	20.8	8%	0.079	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-5	177	-55.3	91	170.2	0	0	112.9	I230 H234 S303 V310 S425	I230-E427 HydrophobicContact CD1-CB 4.22Å; I230-E427 HydrophobicContact CD1-CG 3.88Å; I230-E427 HydrophobicContact CG1-CG 4.3Å; I230-E427 HydrophobicContact CG2-CG 3.88Å; H234-E427 IonicContact CD2-OE1 3.24Å; H234-E427 IonicContact CE1-OE1 3.71Å; H234-E427 IonicContact NE2-OE1 3.62Å; H234-E427 PolarHBondContact NE2-OE1 2.88Å; S303-E427 PolarHBondContact OG-O 2.84Å; V310-E427 HydrophobicContact CG1-CB 4.44Å; V310-E427 HydrophobicContact CG1-CG 4.31Å; V310-E427 VanDerWaalsContact O-CD 3.25Å; V310-E427 WeakPolarHBondContact O-CG 3.47Å; S425-E427 VanDerWaalsContact CB-OE2 3.23Å; S425-E427 WeakPolarHBondContact CB-OE2 3.43Å; S425-E427 PolarHBondContact O-N 3.35Å; S425-E427 PolarHBondContact OG-OE2 3.25Å
428	S	77.7	Confident	85	Confident	3 Å²	3	19 Å²	19	2%	0.021	11%	0.109	C	C	.	.	S	Bend	trans	-93.2	130.8	168.1	-178.5	0	0	0	0	112.3	S303 S425 A426 L430 Y431	S303-S428 WeakPolarHBondContact OG-CA 3.21Å; S425-S428 WeakPolarHBondContact O-CB 3.47Å; S425-S428 PolarHBondContact O-N 3.41Å; A426-S428 VanDerWaalsContact C-N 3.29Å; S428-L430 PolarHBondContact O-N 3.29Å; S428-L430 VanDerWaalsContact O-N 3.15Å; S428-L430 PolarHBondContact OG-N 2.9Å; S428-Y431 WeakPolarHBondContact O-CB 3.08Å; S428-Y431 PolarHBondContact O-N 2.82Å
429	P	84.1	Confident	85.5	Confident	0 Å²	0	19 Å²	19	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-51.7	-32.1	168.7	-32.3	39.3	0	0	0	114.4	F197 F300 S303 Y431 Y432	F197-P429 HydrophobicContact CB-CG 4.28Å; F197-P429 HydrophobicContact CD1-CB 3.63Å; F197-P429 HydrophobicContact CD1-CG 3.68Å; F197-P429 HydrophobicContact CD2-CB 3.97Å; F197-P429 HydrophobicContact CE1-CB 3.63Å; F197-P429 HydrophobicContact CE1-CG 4.09Å; F197-P429 HydrophobicContact CE2-CB 3.98Å; F197-P429 HydrophobicContact CG-CB 3.8Å; F197-P429 HydrophobicContact CG-CG 3.95Å; F197-P429 HydrophobicContact CZ-CB 3.81Å; F300-P429 HydrophobicContact CD1-CB 3.84Å; F300-P429 HydrophobicContact CD1-CG 4.48Å; F300-P429 HydrophobicContact CE1-CB 3.53Å; F300-P429 HydrophobicContact CZ-CB 4.31Å; S303-P429 WeakPolarHBondContact OG-CD 3.19Å; P429-Y431 PolarHBondContact O-N 3.04Å; P429-Y432 PolarHBondContact O-N 3.45Å
430	L	85.2	Confident	86	Confident	7 Å²	7	17.5 Å²	17.5	4%	0.037	10%	0.102	C	C	.	.	H	α-helix	trans	-58.3	-29.5	175.2	-64.2	-175.3	0	0	0	112.6	W281 L290 M294 F300 E304 L424 S428 Y432 L433 A434	W281-L430 HydrophobicContact CE3-CB 4.32Å; W281-L430 HydrophobicContact CZ3-CB 3.85Å; L290-L430 HydrophobicContact CD2-CD1 4.48Å; L290-L430 HydrophobicContact CD2-CD2 4.2Å; M294-L430 HydrophobicContact CB-CD2 4.46Å; M294-L430 HydrophobicContact SD-CD2 3.41Å; M294-L430 WeakPolarHBondContact SD-CD2 3.18Å; F300-L430 HydrophobicContact CD1-CD2 3.62Å; F300-L430 HydrophobicContact CD1-CG 3.95Å; F300-L430 HydrophobicContact CE1-CD2 3.81Å; F300-L430 HydrophobicContact CE1-CG 4.44Å; E304-L430 WeakPolarHBondContact OE1-CD1 3.27Å; L424-L430 HydrophobicContact CD1-CB 3.76Å; S428-L430 PolarHBondContact O-N 3.29Å; S428-L430 VanDerWaalsContact O-N 3.15Å; S428-L430 PolarHBondContact OG-N 2.9Å; L430-Y432 VanDerWaalsContact C-N 3.34Å; L430-Y432 PolarHBondContact O-N 2.88Å; L430-L433 WeakPolarHBondContact O-CB 3.23Å; L430-L433 PolarHBondContact O-N 2.81Å; L430-A434 PolarHBondContact O-N 2.93Å
431	Y	87.9	Confident	86.4	Confident	17 Å²	17	17.2 Å²	17.2	7%	0.067	10%	0.102	C	C	.	.	H	α-helix	trans	-61.8	-43.7	-179.5	-158.4	-85.6	0	0	0	111.7	Y233 F420 L424 S425 A426 S428 P429 L433 A434 L435	Y233-Y431 AromaticContact CE1-CE1 3.66Å; Y233-Y431 HydrophobicContact CE1-CE1 3.66Å; Y233-Y431 AromaticContact CE1-CZ 3.92Å; Y233-Y431 HydrophobicContact CE2-CE1 4.06Å; Y233-Y431 AromaticContact CZ-CE1 3.4Å; Y233-Y431 AromaticContact CZ-CZ 3.88Å; Y233-Y431 WeakPolarHBondContact OH-CE1 3.41Å; Y233-Y431 PolarHBondContact OH-OH 2.82Å; F420-Y431 HydrophobicContact CD2-CD2 4.36Å; F420-Y431 AromaticContact CD2-CE2 3.76Å; F420-Y431 HydrophobicContact CD2-CE2 3.76Å; F420-Y431 AromaticContact CD2-CZ 3.93Å; F420-Y431 HydrophobicContact CE2-CD2 4.43Å; F420-Y431 HydrophobicContact CE2-CE1 4.19Å; F420-Y431 HydrophobicContact CE2-CE2 4.02Å; F420-Y431 AromaticContact CE2-CZ 3.87Å; L424-Y431 HydrophobicContact CB-CD2 4.48Å; L424-Y431 HydrophobicContact CD1-CD2 4.15Å; L424-Y431 HydrophobicContact CG-CD2 3.69Å; L424-Y431 HydrophobicContact CG-CE2 4.28Å; L424-Y431 WeakPolarHBondContact O-CD2 3.44Å; L424-Y431 WeakPolarHBondContact O-CE2 3.32Å; S425-Y431 VanDerWaalsContact O-CB 3.24Å; S425-Y431 WeakPolarHBondContact O-CB 3.44Å; S425-Y431 WeakPolarHBondContact O-CD2 3.41Å; A426-Y431 HydrophobicContact CB-CD1 4.3Å; A426-Y431 HydrophobicContact CB-CE1 4.42Å; S428-Y431 WeakPolarHBondContact O-CB 3.08Å; S428-Y431 PolarHBondContact O-N 2.82Å; P429-Y431 PolarHBondContact O-N 3.04Å; Y431-L433 VanDerWaalsContact C-N 3.32Å; Y431-L433 PolarHBondContact O-N 2.9Å; Y431-A434 WeakPolarHBondContact O-CB 3.36Å; Y431-A434 PolarHBondContact O-N 3.16Å; Y431-L435 HydrophobicContact CD1-CD1 3.77Å; Y431-L435 HydrophobicContact CD1-CD2 4.29Å; Y431-L435 HydrophobicContact CD1-CG 3.74Å; Y431-L435 HydrophobicContact CE1-CD1 3.79Å; Y431-L435 HydrophobicContact CE1-CD2 3.76Å; Y431-L435 HydrophobicContact CE1-CG 3.72Å; Y431-L435 WeakPolarHBondContact O-CG 3.43Å; Y431-L435 PolarHBondContact O-N 2.81Å
432	Y	93.7	Very high	87.2	Confident	1 Å²	1	14.8 Å²	14.8	0%	0.004	9%	0.086	C	C	.	.	H	α-helix	trans	-67.6	-34.1	178.9	-61.3	-93.5	0	0	0	111.6	F197 L226 I230 F259 I260 F263 A426 P429 L430 T436	F197-Y432 AromaticContact CE1-CD2 3.79Å; F197-Y432 HydrophobicContact CE1-CD2 3.79Å; F197-Y432 HydrophobicContact CE1-CE2 4.27Å; F197-Y432 HydrophobicContact CE1-CG 4.23Å; F197-Y432 HydrophobicContact CZ-CD2 4.17Å; F197-Y432 HydrophobicContact CZ-CG 4.28Å; L226-Y432 HydrophobicContact CD1-CE2 3.93Å; I230-Y432 WeakPolarHBondContact CG1-OH 3.24Å; F259-Y432 AromaticContact CE1-CD1 3.8Å; F259-Y432 HydrophobicContact CE1-CD1 3.8Å; F259-Y432 AromaticContact CE1-CE1 3.54Å; F259-Y432 HydrophobicContact CE1-CE1 3.54Å; F259-Y432 HydrophobicContact CZ-CD1 4.39Å; F259-Y432 AromaticContact CZ-CE1 3.67Å; F259-Y432 HydrophobicContact CZ-CE1 3.67Å; I260-Y432 HydrophobicContact CD1-CD1 4.26Å; F263-Y432 AromaticContact CD1-CD1 3.22Å; F263-Y432 HydrophobicContact CD1-CD1 3.22Å; F263-Y432 AromaticContact CD1-CE1 3.64Å; F263-Y432 HydrophobicContact CD1-CE1 3.64Å; F263-Y432 AromaticContact CD1-CG 3.87Å; F263-Y432 HydrophobicContact CD1-CG 3.87Å; F263-Y432 HydrophobicContact CD2-CE1 4.27Å; F263-Y432 AromaticContact CE1-CD1 3.16Å; F263-Y432 HydrophobicContact CE1-CD1 3.16Å; F263-Y432 AromaticContact CE1-CD2 3.99Å; F263-Y432 HydrophobicContact CE1-CD2 3.99Å; F263-Y432 AromaticContact CE1-CE1 3.48Å; F263-Y432 HydrophobicContact CE1-CE1 3.48Å; F263-Y432 VanDerWaalsContact CE1-CE1 3.48Å; F263-Y432 HydrophobicContact CE1-CE2 4.27Å; F263-Y432 AromaticContact CE1-CG 3.42Å; F263-Y432 HydrophobicContact CE1-CG 3.42Å; F263-Y432 VanDerWaalsContact CE1-CG 3.42Å; F263-Y432 HydrophobicContact CE2-CE1 4.14Å; F263-Y432 HydrophobicContact CG-CD1 4.01Å; F263-Y432 HydrophobicContact CG-CE1 4.04Å; F263-Y432 AromaticContact CZ-CD1 3.93Å; F263-Y432 HydrophobicContact CZ-CD1 3.93Å; F263-Y432 HydrophobicContact CZ-CD2 4.41Å; F263-Y432 AromaticContact CZ-CE1 3.75Å; F263-Y432 HydrophobicContact CZ-CE1 3.75Å; F263-Y432 HydrophobicContact CZ-CE2 4.29Å; F263-Y432 HydrophobicContact CZ-CG 4.23Å; F263-Y432 AromaticContact CZ-CZ 3.94Å; A426-Y432 VanDerWaalsContact O-CE2 3.23Å; A426-Y432 WeakPolarHBondContact O-CE2 3.48Å; A426-Y432 PolarHBondContact O-OH 2.73Å; P429-Y432 PolarHBondContact O-N 3.45Å; L430-Y432 VanDerWaalsContact C-N 3.34Å; L430-Y432 PolarHBondContact O-N 2.88Å; Y432-T436 WeakPolarHBondContact O-CB 3.39Å; Y432-T436 PolarHBondContact O-N 3.36Å; Y432-T436 PolarHBondContact O-OG1 2.82Å
433	L	93.2	Very high	88.4	Confident	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-65.8	-38.3	172.2	-85.6	58.7	0	0	0	111.6	L193 F197 L278 P279 W281 M294 L430 Y431 T436 G437	L193-L433 HydrophobicContact CD2-CD2 4.39Å; F197-L433 HydrophobicContact CE2-CD1 4.2Å; F197-L433 HydrophobicContact CZ-CD1 4.37Å; L278-L433 HydrophobicContact CD2-CD1 4.46Å; P279-L433 HydrophobicContact CG-CD1 4.33Å; P279-L433 HydrophobicContact CG-CD2 4.27Å; P279-L433 HydrophobicContact CG-CG 4.08Å; W281-L433 HydrophobicContact CB-CB 3.87Å; W281-L433 PolarHBondContact N-O 3.13Å; M294-L433 HydrophobicContact CE-CD2 3.75Å; M294-L433 HydrophobicContact SD-CD2 4.1Å; L430-L433 WeakPolarHBondContact O-CB 3.23Å; L430-L433 PolarHBondContact O-N 2.81Å; Y431-L433 VanDerWaalsContact C-N 3.32Å; Y431-L433 PolarHBondContact O-N 2.9Å; L433-T436 PolarHBondContact O-N 3.48Å; L433-G437 PolarHBondContact O-N 3.44Å
434	A	92.3	Very high	89.5	Confident	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-70	-42.8	174.2	0	0	0	0	0	112.7	W281 W283 F420 L424 L430 Y431 T436 G437 L438	W281-A434 HydrophobicContact CE3-CB 3.87Å; W281-A434 HydrophobicContact CZ3-CB 4.18Å; W283-A434 HydrophobicContact CD2-CB 4.31Å; W283-A434 HydrophobicContact CE3-CB 3.62Å; W283-A434 HydrophobicContact CZ3-CB 4.23Å; W283-A434 VanDerWaalsContact CZ3-O 3.28Å; W283-A434 WeakPolarHBondContact CZ3-O 3.33Å; F420-A434 HydrophobicContact CD2-CB 4.48Å; F420-A434 HydrophobicContact CE1-CB 4.41Å; F420-A434 HydrophobicContact CE2-CB 3.67Å; F420-A434 HydrophobicContact CZ-CB 3.62Å; L424-A434 HydrophobicContact CD2-CB 3.92Å; L430-A434 PolarHBondContact O-N 2.93Å; Y431-A434 WeakPolarHBondContact O-CB 3.36Å; Y431-A434 PolarHBondContact O-N 3.16Å; A434-T436 PolarHBondContact O-N 3.21Å; A434-G437 CarbonylContact O-C 3.59Å; A434-G437 VanDerWaalsContact O-CA 3.29Å; A434-G437 WeakPolarHBondContact O-CA 3.44Å; A434-G437 PolarHBondContact O-N 2.74Å; A434-L438 PolarHBondContact O-N 2.78Å
435	L	95.5	Very high	90.4	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-59.2	-35.8	170.5	-71.9	-172.1	0	0	0	112	Y233 N256 F259 I260 I390 F420 Y431 G437 L438 D439	Y233-L435 HydrophobicContact CD2-CD1 4.22Å; Y233-L435 HydrophobicContact CE2-CD1 3.66Å; Y233-L435 HydrophobicContact CE2-CD2 4.3Å; N256-L435 PolarHBondContact ND2-O 2.94Å; N256-L435 WeakPolarHBondContact OD1-CB 3.35Å; N256-L435 WeakPolarHBondContact OD1-CD2 3.33Å; F259-L435 HydrophobicContact CD1-CD1 3.85Å; F259-L435 HydrophobicContact CE1-CD1 3.72Å; I260-L435 HydrophobicContact CD1-CB 3.72Å; I260-L435 HydrophobicContact CD1-CD1 4.17Å; I260-L435 HydrophobicContact CG1-CB 3.98Å; I390-L435 HydrophobicContact CD1-CD2 4.12Å; F420-L435 HydrophobicContact CE2-CD2 4.13Å; F420-L435 HydrophobicContact CZ-CD2 4.05Å; Y431-L435 HydrophobicContact CD1-CD1 3.77Å; Y431-L435 HydrophobicContact CD1-CD2 4.29Å; Y431-L435 HydrophobicContact CD1-CG 3.74Å; Y431-L435 HydrophobicContact CE1-CD1 3.79Å; Y431-L435 HydrophobicContact CE1-CD2 3.76Å; Y431-L435 HydrophobicContact CE1-CG 3.72Å; Y431-L435 WeakPolarHBondContact O-CG 3.43Å; Y431-L435 PolarHBondContact O-N 2.81Å; L435-G437 VanDerWaalsContact C-N 3.29Å; L435-L438 HydrophobicContact CD2-CD1 3.99Å; L435-L438 WeakPolarHBondContact O-CB 3.33Å; L435-L438 PolarHBondContact O-N 2.91Å; L435-D439 PolarHBondContact O-N 2.9Å
436	T	96.6	Very high	91.2	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-69.1	-29.5	173.1	-52.3	0	0	0	0	111.5	I260 L278 Y432 L433 A434 D439 W440 F493	I260-T436 HydrophobicContact CG2-CG2 4.15Å; I260-T436 VanDerWaalsContact CG2-OG1 3.32Å; I260-T436 WeakPolarHBondContact CG2-OG1 3.39Å; L278-T436 HydrophobicContact CB-CG2 4.32Å; Y432-T436 WeakPolarHBondContact O-CB 3.39Å; Y432-T436 PolarHBondContact O-N 3.36Å; Y432-T436 PolarHBondContact O-OG1 2.82Å; L433-T436 PolarHBondContact O-N 3.48Å; A434-T436 PolarHBondContact O-N 3.21Å; T436-D439 PolarHBondContact O-N 3.42Å; T436-W440 PolarHBondContact O-N 3.35Å; T436-F493 HydrophobicContact CG2-CE1 4.15Å
437	G	94	Very high	91.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-67.7	-34.2	167.2	0	0	0	0	0	114.2	L433 A434 L435 W440 L441	L433-G437 PolarHBondContact O-N 3.44Å; A434-G437 CarbonylContact O-C 3.59Å; A434-G437 VanDerWaalsContact O-CA 3.29Å; A434-G437 WeakPolarHBondContact O-CA 3.44Å; A434-G437 PolarHBondContact O-N 2.74Å; L435-G437 VanDerWaalsContact C-N 3.29Å; G437-W440 WeakPolarHBondContact O-CB 3.39Å; G437-W440 PolarHBondContact O-N 2.83Å; G437-L441 PolarHBondContact O-N 3.16Å; G437-L441 VanDerWaalsContact O-N 3.16Å
438	L	94.8	Very high	92.7	Very high	2 Å²	2	13 Å²	13	1%	0.01	6%	0.059	C	C	.	.	H	α-helix	trans	-67	-38.1	170.2	-71.1	172.1	0	0	0	112.1	W283 L386 F389 I390 F420 A434 L435 W440 L441 F442	W283-L438 HydrophobicContact CH2-CD2 3.65Å; W283-L438 HydrophobicContact CH2-CG 3.84Å; W283-L438 HydrophobicContact CZ2-CD2 4.21Å; W283-L438 HydrophobicContact CZ3-CG 4.35Å; L386-L438 HydrophobicContact CD2-CD2 4.05Å; F389-L438 HydrophobicContact CD2-CD2 4.06Å; I390-L438 HydrophobicContact CD1-CD1 3.55Å; I390-L438 HydrophobicContact CG1-CD1 3.78Å; F420-L438 HydrophobicContact CE1-CD1 3.67Å; F420-L438 HydrophobicContact CE1-CD2 4.3Å; F420-L438 HydrophobicContact CE1-CG 3.96Å; F420-L438 HydrophobicContact CZ-CD1 3.63Å; F420-L438 HydrophobicContact CZ-CG 4.12Å; A434-L438 PolarHBondContact O-N 2.78Å; L435-L438 HydrophobicContact CD2-CD1 3.99Å; L435-L438 WeakPolarHBondContact O-CB 3.33Å; L435-L438 PolarHBondContact O-N 2.91Å; L438-W440 VanDerWaalsContact C-N 3.31Å; L438-W440 PolarHBondContact O-N 2.84Å; L438-L441 HydrophobicContact CD2-CD1 4.35Å; L438-L441 WeakPolarHBondContact O-CB 3.45Å; L438-L441 PolarHBondContact O-N 2.69Å; L438-F442 PolarHBondContact O-N 2.66Å
439	D	97.2	Very high	93.5	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-66.7	-33	173.8	-175.2	32.4	0	0	0	112.1	R179 R257 L435 T436 L441 F442 E443 Y491 F493	R179-D439 IonicContact NH1-OD2 3.17Å; R179-D439 PolarHBondContact NH1-OD2 2.82Å; R257-D439 IonicContact CZ-OD1 2.66Å; R257-D439 VanDerWaalsContact CZ-OD1 3.24Å; R257-D439 IonicContact NE-OD1 3.34Å; R257-D439 PolarHBondContact NE-OD1 2.75Å; R257-D439 IonicContact NH2-OD1 2.72Å; R257-D439 PolarHBondContact NH2-OD1 3.01Å; L435-D439 PolarHBondContact O-N 2.9Å; T436-D439 PolarHBondContact O-N 3.42Å; D439-L441 VanDerWaalsContact C-N 3.33Å; D439-L441 PolarHBondContact O-N 2.91Å; D439-F442 PolarHBondContact O-N 2.74Å; D439-E443 PolarHBondContact O-N 3.12Å; D439-Y491 PolarHBondContact OD1-OH 3.19Å; D439-Y491 VanDerWaalsContact OD2-CE2 3.3Å; D439-Y491 WeakPolarHBondContact OD2-CE2 3.48Å; D439-Y491 VanDerWaalsContact OD2-CZ 3.31Å; D439-Y491 PolarHBondContact OD2-OH 2.8Å; D439-F493 HydrophobicContact CB-CZ 3.99Å; D439-F493 WeakPolarHBondContact OD2-CZ 3.26Å
440	W	95.8	Very high	94	Very high	23 Å²	23	23.2 Å²	23.2	9%	0.087	10%	0.104	C	C	.	.	H	α-helix	trans	-59	-44.5	169.2	-173.6	111.1	0	0	0	111.2	F4 Y280 F282 T436 G437 L438 F442 E443 R444 F493	F4-W440 HydrophobicContact CE2-CH2 4.31Å; F4-W440 AromaticContact CZ-CH2 3.81Å; F4-W440 HydrophobicContact CZ-CH2 3.81Å; F4-W440 HydrophobicContact CZ-CZ2 4.22Å; Y280-W440 AromaticContact CD2-CD1 3.88Å; Y280-W440 HydrophobicContact CD2-CG 4.36Å; Y280-W440 AromaticContact CE1-CD1 3.8Å; Y280-W440 AromaticContact CE2-CD1 3.58Å; Y280-W440 HydrophobicContact CE2-CG 4.34Å; Y280-W440 AromaticContact CE2-NE1 3.79Å; Y280-W440 AromaticContact CZ-CD1 3.52Å; Y280-W440 AromaticContact CZ-NE1 3.6Å; Y280-W440 PolarHBondContact OH-NE1 3.23Å; F282-W440 HydrophobicContact CE1-CB 4.21Å; F282-W440 HydrophobicContact CE1-CD2 4.12Å; F282-W440 HydrophobicContact CE1-CE3 4.05Å; F282-W440 HydrophobicContact CE1-CG 4.17Å; F282-W440 HydrophobicContact CZ-CB 4.31Å; F282-W440 AromaticContact CZ-CD2 3.57Å; F282-W440 HydrophobicContact CZ-CD2 3.57Å; F282-W440 AromaticContact CZ-CE2 3.95Å; F282-W440 AromaticContact CZ-CE3 3.75Å; F282-W440 HydrophobicContact CZ-CE3 3.75Å; F282-W440 AromaticContact CZ-CG 3.79Å; F282-W440 HydrophobicContact CZ-CG 3.79Å; F282-W440 HydrophobicContact CZ-CZ3 4.33Å; T436-W440 PolarHBondContact O-N 3.35Å; G437-W440 WeakPolarHBondContact O-CB 3.39Å; G437-W440 PolarHBondContact O-N 2.83Å; L438-W440 VanDerWaalsContact C-N 3.31Å; L438-W440 PolarHBondContact O-N 2.84Å; W440-F442 PolarHBondContact O-N 3.26Å; W440-E443 PolarHBondContact O-N 2.97Å; W440-R444 HydrophobicContact CE3-CB 4Å; W440-R444 HydrophobicContact CH2-CB 4.18Å; W440-R444 HydrophobicContact CH2-CG 3.82Å; W440-R444 HydrophobicContact CZ3-CB 3.76Å; W440-R444 HydrophobicContact CZ3-CG 3.77Å; W440-R444 VanDerWaalsContact O-CB 3.26Å; W440-R444 WeakPolarHBondContact O-CB 3.47Å; W440-R444 PolarHBondContact O-N 2.65Å; W440-F493 HydrophobicContact CB-CD1 3.94Å; W440-F493 HydrophobicContact CB-CD2 4.46Å; W440-F493 HydrophobicContact CB-CE1 3.83Å; W440-F493 HydrophobicContact CB-CE2 4.38Å; W440-F493 HydrophobicContact CB-CG 4.25Å; W440-F493 HydrophobicContact CB-CZ 4.06Å; W440-F493 AromaticContact CD1-CD1 3.53Å; W440-F493 AromaticContact CD1-CG 3.5Å; W440-F493 VanDerWaalsContact CD1-CG 3.5Å; W440-F493 HydrophobicContact CG-CB 4.48Å; W440-F493 HydrophobicContact CG-CD1 4.11Å; W440-F493 HydrophobicContact CG-CE1 4.48Å; W440-F493 HydrophobicContact CG-CG 4.12Å; W440-F493 VanDerWaalsContact N-CZ 3.32Å
441	L	93.9	Very high	94.4	Very high	3 Å²	3	24 Å²	24	2%	0.016	11%	0.11	C	C	.	.	H	α-helix	trans	-63.9	-40.4	177.1	-67.7	172.5	0	0	0	111.7	L366 L370 L386 F389 G437 L438 D439 R444 W445	L366-L441 HydrophobicContact CD1-CD2 3.75Å; L366-L441 HydrophobicContact CD2-CD2 4.44Å; L366-L441 HydrophobicContact CG-CD2 4.4Å; L370-L441 HydrophobicContact CD2-CD2 4.2Å; L370-L441 WeakPolarHBondContact CD2-O 3.09Å; L386-L441 HydrophobicContact CD2-CB 4.33Å; L386-L441 HydrophobicContact CD2-CD1 4.05Å; F389-L441 HydrophobicContact CE2-CD1 4.37Å; G437-L441 PolarHBondContact O-N 3.16Å; G437-L441 VanDerWaalsContact O-N 3.16Å; L438-L441 HydrophobicContact CD2-CD1 4.35Å; L438-L441 WeakPolarHBondContact O-CB 3.45Å; L438-L441 PolarHBondContact O-N 2.69Å; D439-L441 VanDerWaalsContact C-N 3.33Å; D439-L441 PolarHBondContact O-N 2.91Å; L441-R444 PolarHBondContact O-N 2.95Å; L441-W445 WeakPolarHBondContact O-CB 3.3Å; L441-W445 PolarHBondContact O-N 2.82Å
442	F	96.5	Very high	94.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-66.1	-45.5	176.9	-177.9	-148.6	0	0	0	112.4	P253 T254 Y375 F382 L438 D439 W440 R444 W445 I446 F483	P253-F442 HydrophobicContact CB-CB 4.32Å; P253-F442 HydrophobicContact CB-CD1 3.63Å; P253-F442 HydrophobicContact CB-CD2 3.73Å; P253-F442 HydrophobicContact CB-CE1 3.76Å; P253-F442 HydrophobicContact CB-CE2 3.83Å; P253-F442 HydrophobicContact CB-CG 3.64Å; P253-F442 HydrophobicContact CB-CZ 3.86Å; P253-F442 WeakPolarHBondContact O-CD1 3.5Å; P253-F442 WeakPolarHBondContact O-CE1 3.45Å; T254-F442 HydrophobicContact CG2-CE1 3.86Å; T254-F442 HydrophobicContact CG2-CZ 3.74Å; Y375-F442 AromaticContact CE2-CE2 3.92Å; Y375-F442 HydrophobicContact CE2-CE2 3.92Å; Y375-F442 HydrophobicContact CE2-CZ 4.41Å; F382-F442 HydrophobicContact CE1-CB 4.25Å; F382-F442 AromaticContact CE1-CD2 3.78Å; F382-F442 HydrophobicContact CE1-CD2 3.78Å; F382-F442 HydrophobicContact CE1-CG 4.41Å; F382-F442 HydrophobicContact CZ-CB 4.42Å; L438-F442 PolarHBondContact O-N 2.66Å; D439-F442 PolarHBondContact O-N 2.74Å; W440-F442 PolarHBondContact O-N 3.26Å; F442-R444 VanDerWaalsContact C-N 3.31Å; F442-R444 PolarHBondContact O-N 3.03Å; F442-W445 AromaticContact CD2-CE3 3.86Å; F442-W445 HydrophobicContact CD2-CE3 3.86Å; F442-W445 HydrophobicContact CD2-CZ3 4.34Å; F442-W445 AromaticContact CE2-CE3 3.89Å; F442-W445 HydrophobicContact CE2-CE3 3.89Å; F442-W445 AromaticContact CE2-CZ3 3.89Å; F442-W445 HydrophobicContact CE2-CZ3 3.89Å; F442-W445 PolarHBondContact O-N 3.45Å; F442-I446 HydrophobicContact CD2-CD1 4.08Å; F442-I446 HydrophobicContact CD2-CG1 4.14Å; F442-I446 HydrophobicContact CE1-CD1 4.34Å; F442-I446 HydrophobicContact CE2-CD1 3.74Å; F442-I446 HydrophobicContact CE2-CG1 3.96Å; F442-I446 HydrophobicContact CZ-CD1 3.87Å; F442-I446 WeakPolarHBondContact O-CG1 3.34Å; F442-I446 PolarHBondContact O-N 3.16Å; F442-F483 HydrophobicContact CE2-CD2 4.24Å; F442-F483 HydrophobicContact CE2-CE2 4.16Å; F442-F483 AromaticContact CZ-CD2 3.8Å; F442-F483 HydrophobicContact CZ-CD2 3.8Å; F442-F483 HydrophobicContact CZ-CE2 4.19Å
443	E	96.2	Very high	94.6	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.009	15%	0.153	C	C	.	.	H	α-helix	trans	-61.1	-40.7	172.6	176.2	58.5	-162.7	0	0	111.7	R257 D439 W440 W445 I446 Q447 S485 S486 F493	R257-E443 IonicContact NH2-OE2 2.82Å; D439-E443 PolarHBondContact O-N 3.12Å; W440-E443 PolarHBondContact O-N 2.97Å; E443-W445 VanDerWaalsContact C-N 3.34Å; E443-W445 PolarHBondContact O-N 2.78Å; E443-I446 PolarHBondContact O-N 2.95Å; E443-Q447 VanDerWaalsContact O-CG 3.3Å; E443-Q447 WeakPolarHBondContact O-CG 3.48Å; E443-Q447 PolarHBondContact O-N 2.98Å; E443-Q447 PolarHBondContact OE1-NE2 3.14Å; E443-S485 PolarHBondContact OE1-OG 3.48Å; E443-S485 VanDerWaalsContact OE2-CA 3.25Å; E443-S485 WeakPolarHBondContact OE2-CA 3.35Å; E443-S486 PolarHBondContact OE2-N 2.94Å; E443-F493 HydrophobicContact CB-CD2 3.93Å; E443-F493 HydrophobicContact CB-CE2 3.74Å; E443-F493 HydrophobicContact CG-CD2 3.95Å; E443-F493 HydrophobicContact CG-CE2 4.2Å
444	R	94.5	Very high	94.6	Very high	60 Å²	60	33.3 Å²	33.3	23%	0.226	18%	0.179	C	C	.	.	H	α-helix	trans	-64.9	-39.8	178.3	-169.2	69.8	-164.8	131.1	6.7	111.8	L370 W440 L441 F442 Q447 I448	L370-R444 HydrophobicContact CD1-CG 3.95Å; L370-R444 HydrophobicContact CD2-CB 3.99Å; L370-R444 HydrophobicContact CD2-CG 4.08Å; W440-R444 HydrophobicContact CE3-CB 4Å; W440-R444 HydrophobicContact CH2-CB 4.18Å; W440-R444 HydrophobicContact CH2-CG 3.82Å; W440-R444 HydrophobicContact CZ3-CB 3.76Å; W440-R444 HydrophobicContact CZ3-CG 3.77Å; W440-R444 VanDerWaalsContact O-CB 3.26Å; W440-R444 WeakPolarHBondContact O-CB 3.47Å; W440-R444 PolarHBondContact O-N 2.65Å; L441-R444 PolarHBondContact O-N 2.95Å; F442-R444 VanDerWaalsContact C-N 3.31Å; F442-R444 PolarHBondContact O-N 3.03Å; R444-Q447 PolarHBondContact O-N 3.46Å; R444-I448 HydrophobicContact CG-CD1 4.12Å; R444-I448 WeakPolarHBondContact O-CD1 3.34Å; R444-I448 VanDerWaalsContact O-CG1 3.32Å; R444-I448 WeakPolarHBondContact O-CG1 3.38Å; R444-I448 PolarHBondContact O-N 2.87Å; R444-I448 VanDerWaalsContact O-N 3.14Å
445	W	95.7	Very high	94.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.4	-43.2	173.4	175.4	85.2	0	0	0	112.3	L370 Q372 Y375 F382 L441 F442 E443 Q447 I448 N449 P451 F483	L370-W445 HydrophobicContact CD2-CB 4.18Å; Q372-W445 PolarHBondContact O-NE1 3.23Å; Y375-W445 AromaticContact CD2-CH2 3.57Å; Y375-W445 HydrophobicContact CD2-CH2 3.57Å; Y375-W445 HydrophobicContact CD2-CZ2 4.23Å; Y375-W445 AromaticContact CD2-CZ3 3.74Å; Y375-W445 HydrophobicContact CD2-CZ3 3.74Å; Y375-W445 HydrophobicContact CE2-CZ3 4.35Å; Y375-W445 HydrophobicContact CG-CH2 4.1Å; F382-W445 HydrophobicContact CB-CD2 4.33Å; F382-W445 HydrophobicContact CB-CG 4.42Å; F382-W445 HydrophobicContact CB-CZ2 4.34Å; F382-W445 HydrophobicContact CD1-CB 4.35Å; F382-W445 AromaticContact CD1-CD2 3.64Å; F382-W445 HydrophobicContact CD1-CD2 3.64Å; F382-W445 AromaticContact CD1-CE2 3.99Å; F382-W445 AromaticContact CD1-CE3 3.98Å; F382-W445 HydrophobicContact CD1-CE3 3.98Å; F382-W445 AromaticContact CD1-CG 3.78Å; F382-W445 HydrophobicContact CD1-CG 3.78Å; F382-W445 HydrophobicContact CD2-CB 3.99Å; F382-W445 AromaticContact CD2-CD1 3.3Å; F382-W445 HydrophobicContact CD2-CD2 4.25Å; F382-W445 AromaticContact CD2-CG 3.59Å; F382-W445 HydrophobicContact CD2-CG 3.59Å; F382-W445 AromaticContact CD2-NE1 3.87Å; F382-W445 HydrophobicContact CE1-CB 3.97Å; F382-W445 HydrophobicContact CE1-CD2 4.01Å; F382-W445 HydrophobicContact CE1-CE3 4.16Å; F382-W445 AromaticContact CE1-CG 3.91Å; F382-W445 HydrophobicContact CE1-CG 3.91Å; F382-W445 HydrophobicContact CE2-CB 3.56Å; F382-W445 AromaticContact CE2-CD1 3.81Å; F382-W445 AromaticContact CE2-CG 3.7Å; F382-W445 HydrophobicContact CE2-CG 3.7Å; F382-W445 HydrophobicContact CG-CB 4.36Å; F382-W445 AromaticContact CG-CD1 3.45Å; F382-W445 VanDerWaalsContact CG-CD1 3.45Å; F382-W445 AromaticContact CG-CD2 3.78Å; F382-W445 HydrophobicContact CG-CD2 3.78Å; F382-W445 AromaticContact CG-CE2 3.81Å; F382-W445 AromaticContact CG-CG 3.62Å; F382-W445 HydrophobicContact CG-CG 3.62Å; F382-W445 AromaticContact CG-NE1 3.57Å; F382-W445 HydrophobicContact CZ-CB 3.54Å; F382-W445 HydrophobicContact CZ-CD2 4.44Å; F382-W445 AromaticContact CZ-CG 3.86Å; F382-W445 HydrophobicContact CZ-CG 3.86Å; L441-W445 WeakPolarHBondContact O-CB 3.3Å; L441-W445 PolarHBondContact O-N 2.82Å; F442-W445 AromaticContact CD2-CE3 3.86Å; F442-W445 HydrophobicContact CD2-CE3 3.86Å; F442-W445 HydrophobicContact CD2-CZ3 4.34Å; F442-W445 AromaticContact CE2-CE3 3.89Å; F442-W445 HydrophobicContact CE2-CE3 3.89Å; F442-W445 AromaticContact CE2-CZ3 3.89Å; F442-W445 HydrophobicContact CE2-CZ3 3.89Å; F442-W445 PolarHBondContact O-N 3.45Å; E443-W445 VanDerWaalsContact C-N 3.34Å; E443-W445 PolarHBondContact O-N 2.78Å; W445-Q447 VanDerWaalsContact C-N 3.35Å; W445-Q447 PolarHBondContact O-N 3.28Å; W445-I448 PolarHBondContact O-N 3.23Å; W445-N449 PolarHBondContact NE1-ND2 3.26Å; W445-N449 PolarHBondContact O-N 2.92Å; W445-N449 PolarHBondContact O-ND2 2.74Å; W445-P451 HydrophobicContact CE3-CG 4.33Å; W445-P451 HydrophobicContact CH2-CB 3.64Å; W445-P451 HydrophobicContact CH2-CG 3.75Å; W445-P451 HydrophobicContact CZ2-CB 4.41Å; W445-P451 HydrophobicContact CZ3-CB 4.02Å; W445-P451 HydrophobicContact CZ3-CG 3.58Å; W445-F483 HydrophobicContact CH2-CE2 4.4Å; W445-F483 AromaticContact CH2-CZ 3.98Å; W445-F483 HydrophobicContact CH2-CZ 3.98Å; W445-F483 HydrophobicContact CZ3-CE2 4.06Å; W445-F483 AromaticContact CZ3-CZ 3.88Å; W445-F483 HydrophobicContact CZ3-CZ 3.88Å
446	I	95.7	Very high	94.2	Very high	20 Å²	20	36.6 Å²	36.6	10%	0.103	20%	0.195	C	C	.	.	H	α-helix	trans	-58.6	-45.7	173.8	-71.1	175.1	0	0	0	110.8	F442 E443 I448 K450 P451 A484	F442-I446 HydrophobicContact CD2-CD1 4.08Å; F442-I446 HydrophobicContact CD2-CG1 4.14Å; F442-I446 HydrophobicContact CE1-CD1 4.34Å; F442-I446 HydrophobicContact CE2-CD1 3.74Å; F442-I446 HydrophobicContact CE2-CG1 3.96Å; F442-I446 HydrophobicContact CZ-CD1 3.87Å; F442-I446 WeakPolarHBondContact O-CG1 3.34Å; F442-I446 PolarHBondContact O-N 3.16Å; E443-I446 PolarHBondContact O-N 2.95Å; I446-I448 VanDerWaalsContact C-N 3.32Å; I446-I448 PolarHBondContact O-N 3.03Å; I446-K450 WeakPolarHBondContact O-CA 3.45Å; I446-K450 PolarHBondContact O-N 3.46Å; I446-P451 HydrophobicContact CG1-CG 4.14Å; I446-P451 WeakPolarHBondContact O-CD 3.05Å; I446-A484 VanDerWaalsContact CD1-O 3.22Å; I446-A484 WeakPolarHBondContact CD1-O 3.48Å
447	Q	93	Very high	93.8	Very high	90 Å²	90	39.3 Å²	39.3	42%	0.421	21%	0.213	S	C	.	.	H	α-helix	trans	-64.1	-33.6	-179.9	-72.7	173.2	12.5	0	0	113.6	E443 R444 W445	E443-Q447 VanDerWaalsContact O-CG 3.3Å; E443-Q447 WeakPolarHBondContact O-CG 3.48Å; E443-Q447 PolarHBondContact O-N 2.98Å; E443-Q447 PolarHBondContact OE1-NE2 3.14Å; R444-Q447 PolarHBondContact O-N 3.46Å; W445-Q447 VanDerWaalsContact C-N 3.35Å; W445-Q447 PolarHBondContact O-N 3.28Å
448	I	93.5	Very high	93.5	Very high	44 Å²	44	46 Å²	46	23%	0.226	24%	0.239	C	C	.	.	H	α-helix	trans	-77.8	-53.1	179.7	-71.3	164.9	0	0	0	110.5	L370 H371 R444 W445 I446	L370-I448 HydrophobicContact CB-CD1 3.9Å; H371-I448 VanDerWaalsContact CD2-CG2 3.49Å; H371-I448 WeakPolarHBondContact CD2-CG2 3.25Å; R444-I448 HydrophobicContact CG-CD1 4.12Å; R444-I448 WeakPolarHBondContact O-CD1 3.34Å; R444-I448 VanDerWaalsContact O-CG1 3.32Å; R444-I448 WeakPolarHBondContact O-CG1 3.38Å; R444-I448 PolarHBondContact O-N 2.87Å; R444-I448 VanDerWaalsContact O-N 3.14Å; W445-I448 PolarHBondContact O-N 3.23Å; I446-I448 VanDerWaalsContact C-N 3.32Å; I446-I448 PolarHBondContact O-N 3.03Å
449	N	94.5	Very high	93.1	Very high	37 Å²	37	55.7 Å²	55.7	20%	0.198	28%	0.277	C	S	.	.	H	α-helix	trans	-90	-17.4	-168.2	-60.4	-81.8	0	0	0	113.5	L370 W445	L370-N449 PolarHBondContact O-ND2 3.22Å; W445-N449 PolarHBondContact NE1-ND2 3.26Å; W445-N449 PolarHBondContact O-N 2.92Å; W445-N449 PolarHBondContact O-ND2 2.74Å
450	K	94.5	Very high	92.5	Very high	180 Å²	180	57.3 Å²	57.3	78%	0.783	29%	0.291	S	S	*	.			trans	46.9	52.7	-176	-58.3	178	-175.3	174.6	0	112.3	I446	I446-K450 WeakPolarHBondContact O-CA 3.45Å; I446-K450 PolarHBondContact O-N 3.46Å
451	P	94.5	Very high	92	Very high	23 Å²	23	58.3 Å²	58.3	15%	0.149	31%	0.305	C	S	.	.			trans	-64.2	146.4	-170.9	31.8	-39.2	0	0	0	111.2	W445 I446 Q455 F483	W445-P451 HydrophobicContact CE3-CG 4.33Å; W445-P451 HydrophobicContact CH2-CB 3.64Å; W445-P451 HydrophobicContact CH2-CG 3.75Å; W445-P451 HydrophobicContact CZ2-CB 4.41Å; W445-P451 HydrophobicContact CZ3-CB 4.02Å; W445-P451 HydrophobicContact CZ3-CG 3.58Å; I446-P451 HydrophobicContact CG1-CG 4.14Å; I446-P451 WeakPolarHBondContact O-CD 3.05Å; P451-Q455 HydrophobicContact CB-CG 4.44Å; P451-F483 HydrophobicContact CB-CE1 3.86Å; P451-F483 HydrophobicContact CB-CZ 3.86Å; P451-F483 HydrophobicContact CG-CE1 3.81Å; P451-F483 HydrophobicContact CG-CZ 3.89Å
452	S	93.5	Very high	91.5	Very high	77 Å²	77	63.9 Å²	63.9	54%	0.538	33%	0.325	S	S	.	.			trans	-84.5	156.6	167.8	73.9	0	0	0	0	110.5	G454 Q455 F483	S452-G454 PolarHBondContact O-N 3.38Å; S452-G454 PolarHBondContact OG-N 3.31Å; S452-Q455 PolarHBondContact O-N 3.13Å; S452-F483 WeakPolarHBondContact O-CE1 3.29Å
453	L	92.4	Very high	91	Very high	84 Å²	84	64 Å²	64	44%	0.44	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-55.6	-12.4	167.7	-75.2	168.8	0	0	0	113	Q455 K466 A480 F483	L453-Q455 PolarHBondContact O-N 2.81Å; L453-K466 WeakPolarHBondContact O-CD 3.27Å; L453-K466 WeakPolarHBondContact O-CE 2.92Å; L453-K466 PolarHBondContact O-NZ 2.84Å; L453-A480 HydrophobicContact CD2-CB 3.94Å; L453-F483 HydrophobicContact CD2-CB 3.91Å; L453-F483 HydrophobicContact CD2-CD1 3.89Å; L453-F483 HydrophobicContact CD2-CG 4.28Å
454	G	91.3	Very high	90.6	Very high	53 Å²	53	65 Å²	65	55%	0.546	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-59.3	-26.5	170.6	0	0	0	0	0	114	S452	S452-G454 PolarHBondContact O-N 3.38Å; S452-G454 PolarHBondContact OG-N 3.31Å
455	Q	91.5	Very high	90.4	Very high	63 Å²	63	63 Å²	63	29%	0.294	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-77.6	-17.9	-173.3	-63.9	-158.6	-20	0	0	115.6	T373 P451 S452 L453 F483	T373-Q455 PolarHBondContact O-NE2 3.08Å; P451-Q455 HydrophobicContact CB-CG 4.44Å; S452-Q455 PolarHBondContact O-N 3.13Å; L453-Q455 PolarHBondContact O-N 2.81Å; Q455-F483 HydrophobicContact CB-CZ 4.32Å
456	I	89.7	Confident	90.2	Very high	7 Å²	7	64.4 Å²	64.4	4%	0.036	33%	0.331	C	S	.	.	S	Bend	trans	-78.7	134.6	164.2	-48.1	175.8	0	0	0	107.8	Y375 K466 H479 F483	Y375-I456 HydrophobicContact CD1-CG1 4.38Å; Y375-I456 HydrophobicContact CE1-CG1 4.11Å; I456-K466 HydrophobicContact CB-CB 4.09Å; I456-K466 HydrophobicContact CB-CG 4.23Å; I456-K466 HydrophobicContact CG2-CB 3.96Å; I456-K466 WeakPolarHBondContact O-CE 3.18Å; I456-K466 PolarHBondContact O-NZ 3.27Å; I456-H479 HydrophobicContact CD1-CB 4.26Å; I456-F483 HydrophobicContact CD1-CB 3.82Å; I456-F483 HydrophobicContact CD1-CD2 3.63Å; I456-F483 HydrophobicContact CD1-CE2 4.31Å; I456-F483 HydrophobicContact CD1-CG 3.77Å; I456-F483 HydrophobicContact CG1-CD2 3.76Å; I456-F483 HydrophobicContact CG1-CE2 3.93Å; I456-F483 HydrophobicContact CG1-CG 4.17Å; I456-F483 HydrophobicContact CG1-CZ 4.47Å
457	S	87.8	Confident	90.1	Very high	56 Å²	56	69.7 Å²	69.7	39%	0.392	35%	0.354	S	S	.	.			trans	-71.8	141.5	175.3	-170.3	0	0	0	0	111.4	Y459 K466	S457-Y459 VanDerWaalsContact C-N 3.31Å; S457-Y459 PolarHBondContact OG-N 3.07Å; S457-K466 PolarHBondContact O-N 2.65Å; S457-K466 VanDerWaalsContact O-N 3.15Å
458	Y	87.6	Confident	89.9	Confident	140 Å²	140	66.6 Å²	66.6	55%	0.549	34%	0.34	S	S	.	.	S	Bend	trans	-78.7	-21.3	163.4	-177.1	-101.3	0	0	0	111.4	F467	Y458-F467 AromaticContact CD2-CD2 3.9Å; Y458-F467 HydrophobicContact CD2-CD2 3.9Å; Y458-F467 HydrophobicContact CD2-CE2 4.29Å; Y458-F467 HydrophobicContact CE2-CD2 4.02Å
459	Y	86.5	Confident	89.9	Confident	206 Å²	206	65.9 Å²	65.9	81%	0.808	34%	0.338	S	S	*	.	S	Bend	trans	-101.2	20	-177.1	-49.7	-70.4	0	0	0	113.3	S457	S457-Y459 VanDerWaalsContact C-N 3.31Å; S457-Y459 PolarHBondContact OG-N 3.07Å
460	A	84.9	Confident	89.9	Confident	36 Å²	36	64.2 Å²	64.2	30%	0.298	33%	0.329	S	S	.	.	S	Bend	trans	-71	170.4	170.7	0	0	0	0	0	110.9	Q464 N465	A460-Q464 HydrophobicContact CB-CB 4.19Å; A460-N465 HydrophobicContact CB-CB 4.12Å
461	A	84.6	Confident	89.8	Confident	44 Å²	44	55.7 Å²	55.7	36%	0.364	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-58.6	153.1	174.7	0	0	0	0	0	111.5	V244 G463 Q464 N465	V244-A461 HydrophobicContact CG1-CB 4.03Å; V244-A461 HydrophobicContact CG2-CB 4.3Å; A461-G463 PolarHBondContact O-N 2.9Å; A461-Q464 HydrophobicContact CB-CG 4.44Å; A461-Q464 WeakPolarHBondContact O-CA 3.49Å; A461-Q464 WeakPolarHBondContact O-CB 3.48Å; A461-Q464 PolarHBondContact O-N 3.13Å; A461-N465 PolarHBondContact O-N 3.35Å
462	R	83.6	Confident	89.8	Confident	119 Å²	119	54.6 Å²	54.6	45%	0.449	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	131.1	-177.6	-169.6	171.7	175.3	-160.7	-9.6	111.1	S136 E137 Y246 D468	S136-R462 WeakPolarHBondContact O-CD 3.49Å; S136-R462 PolarHBondContact O-NE 2.97Å; S136-R462 VanDerWaalsContact O-NE 3.08Å; S136-R462 PolarHBondContact O-NH2 3.33Å; E137-R462 IonicContact OE1-CZ 3.66Å; E137-R462 IonicContact OE1-NH1 2.87Å; E137-R462 PolarHBondContact OE1-NH1 3.28Å; E137-R462 IonicContact OE1-NH2 3.38Å; E137-R462 IonicContact OE2-CZ 3.18Å; E137-R462 IonicContact OE2-NH1 2.73Å; E137-R462 PolarHBondContact OE2-NH1 3.04Å; E137-R462 IonicContact OE2-NH2 3.67Å; E137-R462 PolarHBondContact OE2-NH2 3.3Å; Y246-R462 WeakPolarHBondContact CE1-O 3.33Å; R462-D468 VanDerWaalsContact CA-OD2 3.24Å; R462-D468 WeakPolarHBondContact CA-OD2 3.46Å
463	G	85.4	Confident	89.8	Confident	3 Å²	3	51 Å²	51	3%	0.031	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	17	-167.5	0	0	0	0	0	113.9	A461 D468 H479	A461-G463 PolarHBondContact O-N 2.9Å; G463-D468 PolarHBondContact N-OD2 3.18Å; G463-H479 PolarHBondContact O-NE2 3.35Å
464	Q	88.7	Confident	89.8	Confident	23 Å²	23	47.2 Å²	47.2	11%	0.107	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.1	-10.8	167.2	-57.9	-179.2	-15.7	0	0	112.9	V244 G245 A251 A460 A461	V244-Q464 HydrophobicContact CG1-CG 4.02Å; G245-Q464 PolarHBondContact O-NE2 2.9Å; A251-Q464 HydrophobicContact CB-CB 3.95Å; A251-Q464 HydrophobicContact CB-CG 3.82Å; A460-Q464 HydrophobicContact CB-CB 4.19Å; A461-Q464 HydrophobicContact CB-CG 4.44Å; A461-Q464 WeakPolarHBondContact O-CA 3.49Å; A461-Q464 WeakPolarHBondContact O-CB 3.48Å; A461-Q464 PolarHBondContact O-N 3.13Å
465	N	88.6	Confident	89.8	Confident	18 Å²	18	45.7 Å²	45.7	10%	0.096	22%	0.22	C	C	.	.	S	Bend	trans	-75.2	162.5	-177.7	97.3	43.9	0	0	0	111.9	A460 A461 F467 D468 H479	A460-N465 HydrophobicContact CB-CB 4.12Å; A461-N465 PolarHBondContact O-N 3.35Å; N465-F467 VanDerWaalsContact C-N 3.27Å; N465-F467 PolarHBondContact O-N 3.4Å; N465-F467 VanDerWaalsContact O-N 3.12Å; N465-F467 PolarHBondContact OD1-N 3.34Å; N465-D468 PolarHBondContact ND2-OD1 3.33Å; N465-D468 PolarHBondContact ND2-OD2 3.12Å; N465-D468 PolarHBondContact O-N 2.74Å; N465-D468 PolarHBondContact OD1-N 2.89Å; N465-D468 VanDerWaalsContact OD1-N 3.11Å; N465-H479 PolarHBondContact O-CD2 3.18Å; N465-H479 VanDerWaalsContact O-CD2 3.27Å
466	K	92.3	Very high	89.9	Confident	29 Å²	29	45.5 Å²	45.5	13%	0.126	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.4	-41.4	-177.2	-171.6	177.4	-45.7	-163.8	0	116	L453 I456 S457 A480	L453-K466 WeakPolarHBondContact O-CD 3.27Å; L453-K466 WeakPolarHBondContact O-CE 2.92Å; L453-K466 PolarHBondContact O-NZ 2.84Å; I456-K466 HydrophobicContact CB-CB 4.09Å; I456-K466 HydrophobicContact CB-CG 4.23Å; I456-K466 HydrophobicContact CG2-CB 3.96Å; I456-K466 WeakPolarHBondContact O-CE 3.18Å; I456-K466 PolarHBondContact O-NZ 3.27Å; S457-K466 PolarHBondContact O-N 2.65Å; S457-K466 VanDerWaalsContact O-N 3.15Å; K466-A480 HydrophobicContact CG-CB 4.1Å; K466-A480 VanDerWaalsContact O-CB 3.29Å; K466-A480 WeakPolarHBondContact O-CB 3.36Å; K466-A480 PolarHBondContact O-N 3.1Å
467	F	92.7	Very high	89.9	Confident	131 Å²	131	46.4 Å²	46.4	58%	0.575	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.7	-7.1	-172.4	-59	-54.7	0	0	0	113.5	Y458 N465 A480	Y458-F467 AromaticContact CD2-CD2 3.9Å; Y458-F467 HydrophobicContact CD2-CD2 3.9Å; Y458-F467 HydrophobicContact CD2-CE2 4.29Å; Y458-F467 HydrophobicContact CE2-CD2 4.02Å; N465-F467 VanDerWaalsContact C-N 3.27Å; N465-F467 PolarHBondContact O-N 3.4Å; N465-F467 VanDerWaalsContact O-N 3.12Å; N465-F467 PolarHBondContact OD1-N 3.34Å; F467-A480 HydrophobicContact CD1-CB 4.27Å; F467-A480 HydrophobicContact CE1-CB 4.31Å
468	D	90.6	Very high	90.2	Very high	26 Å²	26	44.5 Å²	44.5	14%	0.139	22%	0.215	C	C	.	.	S	Bend	trans	-62.7	149.2	171.7	-78.6	-11.8	0	0	0	111.4	R462 G463 N465 S478	R462-D468 VanDerWaalsContact CA-OD2 3.24Å; R462-D468 WeakPolarHBondContact CA-OD2 3.46Å; G463-D468 PolarHBondContact N-OD2 3.18Å; N465-D468 PolarHBondContact ND2-OD1 3.33Å; N465-D468 PolarHBondContact ND2-OD2 3.12Å; N465-D468 PolarHBondContact O-N 2.74Å; N465-D468 PolarHBondContact OD1-N 2.89Å; N465-D468 VanDerWaalsContact OD1-N 3.11Å; D468-S478 WeakPolarHBondContact O-CA 3.41Å
469	P	92.3	Very high	90.6	Very high	29 Å²	29	37.9 Å²	37.9	19%	0.188	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-67.2	135.3	174.2	29.8	-35.1	0	0	0	110.7	W138 V471 T476 Q477	W138-P469 WeakPolarHBondContact O-CG 3.32Å; P469-V471 WeakPolarHBondContact O-CG2 3.41Å; P469-V471 PolarHBondContact O-N 3.02Å; P469-V471 VanDerWaalsContact O-N 3.1Å; P469-T476 HydrophobicContact CB-CG2 3.67Å; P469-T476 HydrophobicContact CG-CG2 4.49Å; P469-Q477 CarbonylContact C-O 3.54Å; P469-Q477 WeakPolarHBondContact CA-O 3.41Å
470	I	94.6	Very high	91	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	16%	0.156	C	C	.	.			trans	-65.1	112.5	173.4	-54.4	-179.6	0	0	0	108	W255 A258 F473 Q477 F482	W255-I470 HydrophobicContact CB-CG2 4.08Å; W255-I470 HydrophobicContact CG-CG2 3.78Å; A258-I470 HydrophobicContact CB-CD1 3.72Å; A258-I470 HydrophobicContact CB-CG2 4.45Å; I470-F473 HydrophobicContact CB-CD2 3.93Å; I470-F473 HydrophobicContact CG2-CD2 3.52Å; I470-F473 HydrophobicContact CG2-CE2 3.64Å; I470-F473 WeakPolarHBondContact O-CD2 3.02Å; I470-F473 PolarHBondContact O-N 2.86Å; I470-Q477 WeakPolarHBondContact CG1-O 3.2Å; I470-Q477 PolarHBondContact N-O 3.32Å; I470-F482 HydrophobicContact CD1-CD2 3.55Å; I470-F482 HydrophobicContact CD1-CE2 4.14Å; I470-F482 HydrophobicContact CD1-CG 4.41Å
471	V	93.4	Very high	91.4	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.012	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	133.7	-172.4	-173.5	0	0	0	0	110.7	L135 W138 Y246 W255 P469	L135-V471 HydrophobicContact CB-CG1 3.99Å; L135-V471 HydrophobicContact CD1-CG1 4.26Å; L135-V471 HydrophobicContact CD2-CG1 3.89Å; L135-V471 HydrophobicContact CG-CG1 4.25Å; W138-V471 HydrophobicContact CB-CG1 4.05Å; W138-V471 HydrophobicContact CB-CG2 4.06Å; W138-V471 HydrophobicContact CG-CG1 4.06Å; W138-V471 HydrophobicContact CG-CG2 4.32Å; Y246-V471 HydrophobicContact CD1-CB 3.84Å; Y246-V471 HydrophobicContact CD1-CG1 4.37Å; Y246-V471 HydrophobicContact CD1-CG2 3.71Å; Y246-V471 HydrophobicContact CD2-CB 4.32Å; Y246-V471 HydrophobicContact CD2-CG1 4.23Å; Y246-V471 HydrophobicContact CE1-CB 4.43Å; Y246-V471 HydrophobicContact CE1-CG2 4.07Å; Y246-V471 HydrophobicContact CE2-CG1 4.48Å; Y246-V471 HydrophobicContact CG-CB 3.76Å; Y246-V471 HydrophobicContact CG-CG1 4.17Å; Y246-V471 HydrophobicContact CG-CG2 4.19Å; W255-V471 PolarHBondContact NE1-O 3.33Å; P469-V471 WeakPolarHBondContact O-CG2 3.41Å; P469-V471 PolarHBondContact O-N 3.02Å; P469-V471 VanDerWaalsContact O-N 3.1Å
472	P	92.8	Very high	91.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	cis	-109.7	52.8	0.9	41.1	-31.9	0	0	0	112.3	Q75 L135 W138 M232	Q75-P472 HydrophobicContact CG-CB 4.4Å; Q75-P472 HydrophobicContact CG-CG 4.3Å; Q75-P472 WeakPolarHBondContact CG-O 3.23Å; Q75-P472 VanDerWaalsContact NE2-CG 3.31Å; L135-P472 HydrophobicContact CD2-CB 4.25Å; W138-P472 HydrophobicContact CD2-CB 4.34Å; W138-P472 HydrophobicContact CE3-CB 4.48Å; W138-P472 HydrophobicContact CH2-CB 4.3Å; W138-P472 VanDerWaalsContact CZ2-C 3.46Å; W138-P472 HydrophobicContact CZ2-CB 4.13Å; W138-P472 WeakPolarHBondContact CZ2-O 3.49Å; W138-P472 HydrophobicContact CZ3-CB 4.46Å; M232-P472 HydrophobicContact CB-CG 4.35Å; M232-P472 HydrophobicContact CE-CG 4.2Å; M232-P472 HydrophobicContact CG-CG 4.14Å
473	F	93.8	Very high	92.5	Very high	1 Å²	1	24.4 Å²	24.4	0%	0.004	13%	0.13	C	C	.	.			trans	-77	140.8	177.7	-65	-83	0	0	0	111.6	W138 M232 W255 A258 F259 H262 I470	W138-F473 PolarHBondContact NE1-O 3.19Å; M232-F473 HydrophobicContact CE-CD1 3.41Å; M232-F473 VanDerWaalsContact CE-CD1 3.41Å; M232-F473 HydrophobicContact CE-CE1 3.48Å; M232-F473 VanDerWaalsContact CE-CE1 3.48Å; M232-F473 HydrophobicContact CE-CG 3.96Å; M232-F473 HydrophobicContact CE-CZ 4.09Å; W255-F473 HydrophobicContact CD2-CE2 4.39Å; W255-F473 AromaticContact CE2-CE2 3.83Å; W255-F473 HydrophobicContact CZ2-CE2 4.09Å; W255-F473 HydrophobicContact CZ2-CZ 4.19Å; W255-F473 AromaticContact NE1-CE2 3.82Å; A258-F473 HydrophobicContact CB-CD2 4.47Å; A258-F473 HydrophobicContact CB-CE2 4.15Å; A258-F473 HydrophobicContact CB-CZ 4.38Å; F259-F473 HydrophobicContact CB-CZ 3.82Å; F259-F473 HydrophobicContact CD2-CE1 4.48Å; F259-F473 AromaticContact CD2-CZ 3.99Å; F259-F473 HydrophobicContact CD2-CZ 3.99Å; F259-F473 HydrophobicContact CG-CZ 4.42Å; H262-F473 HydrophobicContact CB-CE1 4.33Å; H262-F473 AromaticContact CD2-CD1 3.43Å; H262-F473 VanDerWaalsContact CD2-CD1 3.43Å; H262-F473 WeakPolarHBondContact CD2-CD1 3.48Å; H262-F473 AromaticContact CD2-CE1 3.68Å; I470-F473 HydrophobicContact CB-CD2 3.93Å; I470-F473 HydrophobicContact CG2-CD2 3.52Å; I470-F473 HydrophobicContact CG2-CE2 3.64Å; I470-F473 WeakPolarHBondContact O-CD2 3.02Å; I470-F473 PolarHBondContact O-N 2.86Å
474	F	93	Very high	92.9	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.018	14%	0.138	C	C	.	.	S	Bend	trans	-137.3	141.6	166.9	180	-96.4	0	0	0	109.4	A74 Q75 P77 W138 F143 V146	A74-F474 CarbonylContact C-O 3.52Å; A74-F474 PolarHBondContact N-O 3.5Å; A74-F474 VanDerWaalsContact N-O 3.12Å; A74-F474 CarbonylContact O-C 3.58Å; A74-F474 WeakPolarHBondContact O-CB 3.3Å; Q75-F474 WeakPolarHBondContact O-CB 3.47Å; P77-F474 HydrophobicContact CG-CD1 4.12Å; P77-F474 HydrophobicContact CG-CE1 3.81Å; W138-F474 HydrophobicContact CZ2-CB 3.91Å; F143-F474 HydrophobicContact CD2-CD2 4.47Å; F143-F474 HydrophobicContact CE1-CD1 4.49Å; F143-F474 HydrophobicContact CE1-CE1 4.07Å; F143-F474 HydrophobicContact CE1-CE2 4.4Å; F143-F474 HydrophobicContact CE1-CZ 4.03Å; F143-F474 HydrophobicContact CE2-CD1 4.39Å; F143-F474 AromaticContact CE2-CD2 3.88Å; F143-F474 HydrophobicContact CE2-CD2 3.88Å; F143-F474 HydrophobicContact CE2-CE2 4.16Å; F143-F474 HydrophobicContact CE2-CG 4.01Å; F143-F474 AromaticContact CZ-CD1 3.81Å; F143-F474 HydrophobicContact CZ-CD1 3.81Å; F143-F474 HydrophobicContact CZ-CD2 4.03Å; F143-F474 AromaticContact CZ-CE1 3.84Å; F143-F474 HydrophobicContact CZ-CE1 3.84Å; F143-F474 HydrophobicContact CZ-CE2 4.09Å; F143-F474 AromaticContact CZ-CG 3.9Å; F143-F474 HydrophobicContact CZ-CG 3.9Å; F143-F474 AromaticContact CZ-CZ 3.99Å; F143-F474 HydrophobicContact CZ-CZ 3.99Å; V146-F474 HydrophobicContact CB-CE2 4.01Å; V146-F474 HydrophobicContact CB-CZ 4.21Å; V146-F474 HydrophobicContact CG1-CE2 3.63Å; V146-F474 HydrophobicContact CG1-CZ 3.94Å
475	P	92.3	Very high	93.2	Very high	21 Å²	21	25.9 Å²	25.9	14%	0.136	14%	0.143	C	C	.	.	S	Bend	cis	-50.8	145.5	-10.3	-22.9	33.9	0	0	0	112.7	G155 Y156 Q477	G155-P475 VanDerWaalsContact C-CG 3.46Å; Y156-P475 VanDerWaalsContact N-CG 3.31Å; P475-Q477 PolarHBondContact O-N 3.38Å
476	T	91.8	Very high	93.5	Very high	60 Å²	60	25 Å²	25	37%	0.368	14%	0.139	S	C	.	.			trans	-66.6	129.8	-176.3	44.1	0	0	0	0	111.3	P139 P469	P139-T476 HydrophobicContact CB-CG2 3.9Å; P139-T476 HydrophobicContact CG-CG2 3.66Å; P469-T476 HydrophobicContact CB-CG2 3.67Å; P469-T476 HydrophobicContact CG-CG2 4.49Å
477	Q	91.5	Very high	93.5	Very high	26 Å²	26	27.4 Å²	27.4	12%	0.121	15%	0.153	C	C	.	.			trans	-126.3	148.6	173	-67	167.2	-29.3	0	0	107.7	H262 P469 I470 P475 F482	H262-Q477 PolarHBondContact CE1-OE1 2.77Å; H262-Q477 PolarHBondContact NE2-OE1 2.87Å; P469-Q477 CarbonylContact C-O 3.54Å; P469-Q477 WeakPolarHBondContact CA-O 3.41Å; I470-Q477 WeakPolarHBondContact CG1-O 3.2Å; I470-Q477 PolarHBondContact N-O 3.32Å; P475-Q477 PolarHBondContact O-N 3.38Å; Q477-F482 HydrophobicContact CB-CE2 3.87Å; Q477-F482 HydrophobicContact CG-CE2 4.43Å; Q477-F482 VanDerWaalsContact OE1-CZ 3.3Å
478	S	93.6	Very high	93.5	Very high	16 Å²	16	23.4 Å²	23.4	11%	0.112	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-94.1	163.2	-175.4	71.8	0	0	0	0	113	D468 A480 D481	D468-S478 WeakPolarHBondContact O-CA 3.41Å; S478-A480 PolarHBondContact O-N 3.29Å; S478-A480 PolarHBondContact OG-N 3.44Å; S478-D481 WeakPolarHBondContact CA-OD2 3.34Å; S478-D481 WeakPolarHBondContact CB-OD2 2.99Å; S478-D481 PolarHBondContact N-OD2 3.32Å; S478-D481 PolarHBondContact O-N 3.34Å; S478-D481 VanDerWaalsContact OG-CG 3.24Å; S478-D481 PolarHBondContact OG-N 3.09Å; S478-D481 PolarHBondContact OG-OD2 2.93Å
479	H	94.8	Very high	93.7	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-60.8	-29.1	171.9	-70.1	-85	0	0	0	112.6	T254 I456 G463 N465 F483	T254-H479 WeakPolarHBondContact CG2-O 3.21Å; T254-H479 PolarHBondContact OG1-ND1 3.33Å; I456-H479 HydrophobicContact CD1-CB 4.26Å; G463-H479 PolarHBondContact O-NE2 3.35Å; N465-H479 PolarHBondContact O-CD2 3.18Å; N465-H479 VanDerWaalsContact O-CD2 3.27Å; H479-F483 PolarHBondContact O-N 3.28Å
480	A	94.7	Very high	93.8	Very high	14 Å²	14	21.7 Å²	21.7	12%	0.116	13%	0.132	C	C	.	.	H	α-helix	trans	-65.3	-38.1	174.1	0	0	0	0	0	113.2	L453 K466 F467 S478 F482 F483	L453-A480 HydrophobicContact CD2-CB 3.94Å; K466-A480 HydrophobicContact CG-CB 4.1Å; K466-A480 VanDerWaalsContact O-CB 3.29Å; K466-A480 WeakPolarHBondContact O-CB 3.36Å; K466-A480 PolarHBondContact O-N 3.1Å; F467-A480 HydrophobicContact CD1-CB 4.27Å; F467-A480 HydrophobicContact CE1-CB 4.31Å; S478-A480 PolarHBondContact O-N 3.29Å; S478-A480 PolarHBondContact OG-N 3.44Å; A480-F482 PolarHBondContact O-N 2.72Å; A480-F483 PolarHBondContact O-N 2.71Å; A480-F483 VanDerWaalsContact O-N 3.09Å
481	D	93.6	Very high	93.8	Very high	92 Å²	92	21.7 Å²	21.7	49%	0.492	13%	0.132	S	C	.	.	H	α-helix	trans	-62.3	-33.4	-177.4	-62.3	-55.1	0	0	0	112.3	S478	S478-D481 WeakPolarHBondContact CA-OD2 3.34Å; S478-D481 WeakPolarHBondContact CB-OD2 2.99Å; S478-D481 PolarHBondContact N-OD2 3.32Å; S478-D481 PolarHBondContact O-N 3.34Å; S478-D481 VanDerWaalsContact OG-CG 3.24Å; S478-D481 PolarHBondContact OG-N 3.09Å; S478-D481 PolarHBondContact OG-OD2 2.93Å
482	F	95.6	Very high	93.9	Very high	1 Å²	1	22.7 Å²	22.7	0%	0.004	14%	0.139	C	C	.	.	H	α-helix	trans	-93	-4.9	177.3	-71.7	-78.7	0	0	0	114.3	T254 R257 A258 F261 I470 Q477 A480 A484 L489	T254-F482 HydrophobicContact CG2-CB 4.48Å; R257-F482 HydrophobicContact CB-CD1 4.48Å; R257-F482 VanDerWaalsContact CD-O 3.28Å; R257-F482 WeakPolarHBondContact CD-O 3.3Å; R257-F482 HydrophobicContact CG-CB 4.37Å; R257-F482 HydrophobicContact CG-CD1 3.81Å; R257-F482 HydrophobicContact CG-CG 4.49Å; R257-F482 PolarHBondContact NH1-O 3.05Å; A258-F482 HydrophobicContact CB-CD1 4.31Å; A258-F482 HydrophobicContact CB-CD2 3.7Å; A258-F482 HydrophobicContact CB-CE1 4.15Å; A258-F482 HydrophobicContact CB-CE2 3.5Å; A258-F482 HydrophobicContact CB-CG 4.07Å; A258-F482 HydrophobicContact CB-CZ 3.74Å; F261-F482 HydrophobicContact CB-CE1 4.07Å; F261-F482 HydrophobicContact CD1-CE1 4.27Å; F261-F482 HydrophobicContact CD1-CZ 4.36Å; F261-F482 HydrophobicContact CG-CE1 4.11Å; I470-F482 HydrophobicContact CD1-CD2 3.55Å; I470-F482 HydrophobicContact CD1-CE2 4.14Å; I470-F482 HydrophobicContact CD1-CG 4.41Å; Q477-F482 HydrophobicContact CB-CE2 3.87Å; Q477-F482 HydrophobicContact CG-CE2 4.43Å; Q477-F482 VanDerWaalsContact OE1-CZ 3.3Å; A480-F482 PolarHBondContact O-N 2.72Å; F482-A484 PolarHBondContact O-N 2.61Å; F482-L489 HydrophobicContact CD1-CD1 4.04Å
483	F	96	Very high	94	Very high	15 Å²	15	24 Å²	24	7%	0.066	14%	0.144	C	C	.	.	S	Bend	trans	-82.7	46	172.7	-158	-93.3	0	0	0	111.7	T254 Y375 F442 W445 P451 S452 L453 Q455 I456 H479 A480	T254-F483 HydrophobicContact CG2-CB 4.06Å; T254-F483 HydrophobicContact CG2-CD2 3.89Å; T254-F483 HydrophobicContact CG2-CG 4.49Å; Y375-F483 HydrophobicContact CD1-CE2 4.27Å; Y375-F483 AromaticContact CD2-CE2 3.76Å; Y375-F483 HydrophobicContact CD2-CE2 3.76Å; Y375-F483 HydrophobicContact CD2-CZ 4.37Å; Y375-F483 HydrophobicContact CE1-CE2 4.24Å; Y375-F483 HydrophobicContact CE2-CD2 4.39Å; Y375-F483 AromaticContact CE2-CE2 3.68Å; Y375-F483 HydrophobicContact CE2-CE2 3.68Å; Y375-F483 HydrophobicContact CG-CE2 4.06Å; Y375-F483 HydrophobicContact CG-CZ 4.48Å; Y375-F483 AromaticContact CZ-CE2 3.94Å; F442-F483 HydrophobicContact CE2-CD2 4.24Å; F442-F483 HydrophobicContact CE2-CE2 4.16Å; F442-F483 AromaticContact CZ-CD2 3.8Å; F442-F483 HydrophobicContact CZ-CD2 3.8Å; F442-F483 HydrophobicContact CZ-CE2 4.19Å; W445-F483 HydrophobicContact CH2-CE2 4.4Å; W445-F483 AromaticContact CH2-CZ 3.98Å; W445-F483 HydrophobicContact CH2-CZ 3.98Å; W445-F483 HydrophobicContact CZ3-CE2 4.06Å; W445-F483 AromaticContact CZ3-CZ 3.88Å; W445-F483 HydrophobicContact CZ3-CZ 3.88Å; P451-F483 HydrophobicContact CB-CE1 3.86Å; P451-F483 HydrophobicContact CB-CZ 3.86Å; P451-F483 HydrophobicContact CG-CE1 3.81Å; P451-F483 HydrophobicContact CG-CZ 3.89Å; S452-F483 WeakPolarHBondContact O-CE1 3.29Å; L453-F483 HydrophobicContact CD2-CB 3.91Å; L453-F483 HydrophobicContact CD2-CD1 3.89Å; L453-F483 HydrophobicContact CD2-CG 4.28Å; Q455-F483 HydrophobicContact CB-CZ 4.32Å; I456-F483 HydrophobicContact CD1-CB 3.82Å; I456-F483 HydrophobicContact CD1-CD2 3.63Å; I456-F483 HydrophobicContact CD1-CE2 4.31Å; I456-F483 HydrophobicContact CD1-CG 3.77Å; I456-F483 HydrophobicContact CG1-CD2 3.76Å; I456-F483 HydrophobicContact CG1-CE2 3.93Å; I456-F483 HydrophobicContact CG1-CG 4.17Å; I456-F483 HydrophobicContact CG1-CZ 4.47Å; H479-F483 PolarHBondContact O-N 3.28Å; A480-F483 PolarHBondContact O-N 2.71Å; A480-F483 VanDerWaalsContact O-N 3.09Å
484	A	93.8	Very high	93.9	Very high	26 Å²	26	25.2 Å²	25.2	22%	0.215	15%	0.15	C	C	.	.	S	Bend	trans	-118	173.7	178.9	0	0	0	0	0	110.6	R257 I446 F482 L489	R257-A484 PolarHBondContact NH1-O 2.72Å; I446-A484 VanDerWaalsContact CD1-O 3.22Å; I446-A484 WeakPolarHBondContact CD1-O 3.48Å; F482-A484 PolarHBondContact O-N 2.61Å; A484-L489 HydrophobicContact CB-CD2 4.39Å; A484-L489 HydrophobicContact CB-CG 4.33Å
485	S	94.9	Very high	93.3	Very high	30 Å²	30	33.1 Å²	33.1	21%	0.21	19%	0.185	C	C	.	.			trans	-71	146.8	164.2	173.4	0	0	0	0	109.7	E443 N487 S488	E443-S485 PolarHBondContact OE1-OG 3.48Å; E443-S485 VanDerWaalsContact OE2-CA 3.25Å; E443-S485 WeakPolarHBondContact OE2-CA 3.35Å; S485-N487 PolarHBondContact O-N 2.91Å; S485-N487 VanDerWaalsContact O-N 3.09Å; S485-N487 PolarHBondContact OG-N 3.37Å; S485-N487 PolarHBondContact OG-ND2 2.86Å; S485-S488 WeakPolarHBondContact O-CB 3.35Å; S485-S488 PolarHBondContact O-N 3.49Å; S485-S488 PolarHBondContact O-OG 2.84Å
486	S	95.4	Very high	92.3	Very high	1 Å²	1	34 Å²	34	1%	0.007	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-46.4	-40.1	171.5	71.9	0	0	0	0	112.2	E443 S488 L489 G490 Y491	E443-S486 PolarHBondContact OE2-N 2.94Å; S486-S488 VanDerWaalsContact C-N 3.25Å; S486-S488 PolarHBondContact O-N 3.34Å; S486-L489 CarbonylContact O-C 3.41Å; S486-L489 WeakPolarHBondContact O-CA 3.44Å; S486-L489 WeakPolarHBondContact O-CB 3.33Å; S486-L489 PolarHBondContact O-N 3.37Å; S486-G490 PolarHBondContact O-N 3.47Å; S486-G490 VanDerWaalsContact O-N 3.16Å; S486-Y491 CarbonylContact C-O 3.46Å; S486-Y491 VanDerWaalsContact CB-CE2 3.43Å; S486-Y491 WeakPolarHBondContact CB-O 3.23Å; S486-Y491 PolarHBondContact O-N 3.2Å; S486-Y491 VanDerWaalsContact O-N 3.13Å; S486-Y491 PolarHBondContact OG-O 3.05Å
487	N	93	Very high	90.7	Very high	78 Å²	78	36.6 Å²	36.6	42%	0.417	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-62.5	-32.8	-178.4	-58.5	-80.8	0	0	0	112	S485 L489 G490 Y491	S485-N487 PolarHBondContact O-N 2.91Å; S485-N487 VanDerWaalsContact O-N 3.09Å; S485-N487 PolarHBondContact OG-N 3.37Å; S485-N487 PolarHBondContact OG-ND2 2.86Å; N487-L489 PolarHBondContact O-N 2.04Å; N487-G490 PolarHBondContact O-N 2.84Å; N487-Y491 WeakPolarHBondContact CA-O 3.05Å; N487-Y491 PolarHBondContact N-O 3.39Å; N487-Y491 VanDerWaalsContact N-O 3.08Å
488	S	92.7	Very high	88.7	Confident	47 Å²	47	40.1 Å²	40.1	33%	0.329	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-65.2	-31.8	173.9	-45.3	0	0	0	0	112.2	R173 S485 S486	R173-S488 PolarHBondContact NH1-O 2.99Å; S485-S488 WeakPolarHBondContact O-CB 3.35Å; S485-S488 PolarHBondContact O-N 3.49Å; S485-S488 PolarHBondContact O-OG 2.84Å; S486-S488 VanDerWaalsContact C-N 3.25Å; S486-S488 PolarHBondContact O-N 3.34Å
489	L	94.5	Very high	86.2	Confident	12 Å²	12	45.6 Å²	45.6	6%	0.063	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-93.4	0.8	-175.1	-57.2	172	0	0	0	112.9	P163 G164 R257 F482 A484 S486 N487 Y491	P163-L489 CarbonylContact C-O 3.38Å; P163-L489 HydrophobicContact CB-CB 4.11Å; P163-L489 HydrophobicContact CB-CD2 3.75Å; P163-L489 HydrophobicContact CG-CD2 4.46Å; G164-L489 VanDerWaalsContact CA-C 3.46Å; G164-L489 VanDerWaalsContact N-C 3.32Å; G164-L489 PolarHBondContact N-O 3.47Å; R257-L489 HydrophobicContact CG-CD1 4.41Å; F482-L489 HydrophobicContact CD1-CD1 4.04Å; A484-L489 HydrophobicContact CB-CD2 4.39Å; A484-L489 HydrophobicContact CB-CG 4.33Å; S486-L489 CarbonylContact O-C 3.41Å; S486-L489 WeakPolarHBondContact O-CA 3.44Å; S486-L489 WeakPolarHBondContact O-CB 3.33Å; S486-L489 PolarHBondContact O-N 3.37Å; N487-L489 PolarHBondContact O-N 2.04Å; L489-Y491 HydrophobicContact CB-CD1 4Å; L489-Y491 HydrophobicContact CB-CE1 3.77Å; L489-Y491 HydrophobicContact CD1-CE1 4Å
490	G	93.5	Very high	83.5	Confident	7 Å²	7	54.4 Å²	54.4	7%	0.072	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.8	13.5	175.6	0	0	0	0	0	116.1	T176 K177 S486 N487	T176-G490 WeakPolarHBondContact CA-O 3.45Å; K177-G490 PolarHBondContact N-O 3.12Å; S486-G490 PolarHBondContact O-N 3.47Å; S486-G490 VanDerWaalsContact O-N 3.16Å; N487-G490 PolarHBondContact O-N 2.84Å
491	Y	95.3	Very high	80.9	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.008	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	161.6	176	72.4	-78.8	0	0	0	113	T176 K177 R179 R257 D439 S486 N487 L489 F493	T176-Y491 VanDerWaalsContact CG2-C 3.43Å; K177-Y491 CarbonylContact O-C 3.58Å; K177-Y491 VanDerWaalsContact O-CA 3.24Å; K177-Y491 WeakPolarHBondContact O-CA 3.24Å; R179-Y491 HydrophobicContact CG-CD2 4.3Å; R257-Y491 WeakPolarHBondContact CD-OH 3.39Å; R257-Y491 WeakPolarHBondContact CG-OH 3.45Å; R257-Y491 PolarHBondContact NE-OH 2.84Å; D439-Y491 PolarHBondContact OD1-OH 3.19Å; D439-Y491 VanDerWaalsContact OD2-CE2 3.3Å; D439-Y491 WeakPolarHBondContact OD2-CE2 3.48Å; D439-Y491 VanDerWaalsContact OD2-CZ 3.31Å; D439-Y491 PolarHBondContact OD2-OH 2.8Å; S486-Y491 CarbonylContact C-O 3.46Å; S486-Y491 VanDerWaalsContact CB-CE2 3.43Å; S486-Y491 WeakPolarHBondContact CB-O 3.23Å; S486-Y491 PolarHBondContact O-N 3.2Å; S486-Y491 VanDerWaalsContact O-N 3.13Å; S486-Y491 PolarHBondContact OG-O 3.05Å; N487-Y491 WeakPolarHBondContact CA-O 3.05Å; N487-Y491 PolarHBondContact N-O 3.39Å; N487-Y491 VanDerWaalsContact N-O 3.08Å; L489-Y491 HydrophobicContact CB-CD1 4Å; L489-Y491 HydrophobicContact CB-CE1 3.77Å; L489-Y491 HydrophobicContact CD1-CE1 4Å; Y491-F493 HydrophobicContact CD2-CE2 4.47Å; Y491-F493 AromaticContact CE2-CE2 3.79Å; Y491-F493 HydrophobicContact CE2-CE2 3.79Å; Y491-F493 AromaticContact CE2-CZ 3.89Å; Y491-F493 HydrophobicContact CE2-CZ 3.89Å
492	C	95.2	Very high	78.7	Confident	23 Å²	23	61.4 Å²	61.4	16%	0.155	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	152.9	173.1	69.7	0	0	0	0	110.6	T176 K177 R179	T176-C492 HydrophobicContact CG2-CB 3.68Å; K177-C492 PolarHBondContact O-N 3.43Å; R179-C492 PolarHBondContact N-O 2.73Å
493	F	94.9	Very high	76.6	Confident	26 Å²	26	64.1 Å²	64.1	11%	0.114	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	135	169	-64.9	-78.5	0	0	0	110	R179 Y280 T436 D439 W440 E443 Y491	R179-F493 HydrophobicContact CB-CD1 3.79Å; R179-F493 HydrophobicContact CB-CE1 4.05Å; R179-F493 HydrophobicContact CG-CE1 4.46Å; Y280-F493 AromaticContact CD1-CD1 3.63Å; Y280-F493 HydrophobicContact CD1-CD1 3.63Å; Y280-F493 HydrophobicContact CD1-CE1 4.26Å; Y280-F493 HydrophobicContact CE1-CB 4.29Å; Y280-F493 AromaticContact CE1-CD1 3.96Å; Y280-F493 HydrophobicContact CE1-CD1 3.96Å; Y280-F493 HydrophobicContact CG-CD1 4.27Å; T436-F493 HydrophobicContact CG2-CE1 4.15Å; D439-F493 HydrophobicContact CB-CZ 3.99Å; D439-F493 WeakPolarHBondContact OD2-CZ 3.26Å; W440-F493 HydrophobicContact CB-CD1 3.94Å; W440-F493 HydrophobicContact CB-CD2 4.46Å; W440-F493 HydrophobicContact CB-CE1 3.83Å; W440-F493 HydrophobicContact CB-CE2 4.38Å; W440-F493 HydrophobicContact CB-CG 4.25Å; W440-F493 HydrophobicContact CB-CZ 4.06Å; W440-F493 AromaticContact CD1-CD1 3.53Å; W440-F493 AromaticContact CD1-CG 3.5Å; W440-F493 VanDerWaalsContact CD1-CG 3.5Å; W440-F493 HydrophobicContact CG-CB 4.48Å; W440-F493 HydrophobicContact CG-CD1 4.11Å; W440-F493 HydrophobicContact CG-CE1 4.48Å; W440-F493 HydrophobicContact CG-CG 4.12Å; W440-F493 VanDerWaalsContact N-CZ 3.32Å; E443-F493 HydrophobicContact CB-CD2 3.93Å; E443-F493 HydrophobicContact CB-CE2 3.74Å; E443-F493 HydrophobicContact CG-CD2 3.95Å; E443-F493 HydrophobicContact CG-CE2 4.2Å; Y491-F493 HydrophobicContact CD2-CE2 4.47Å; Y491-F493 AromaticContact CE2-CE2 3.79Å; Y491-F493 HydrophobicContact CE2-CE2 3.79Å; Y491-F493 AromaticContact CE2-CZ 3.89Å; Y491-F493 HydrophobicContact CE2-CZ 3.89Å
494	E	92	Very high	74.7	Confident	28 Å²	28	69 Å²	69	13%	0.131	35%	0.353	C	S	.	.			trans	-57.9	137.8	166.8	-177.5	167.7	-103.6	0	0	110.5	R178 R179 W181 H184 Y280 I496	R178-E494 HydrophobicContact CG-CB 4.22Å; R179-E494 WeakPolarHBondContact O-CB 3.15Å; R179-E494 PolarHBondContact O-N 2.91Å; W181-E494 PolarHBondContact N-OE2 3.37Å; H184-E494 IonicContact CE1-OE2 2.64Å; H184-E494 IonicContact CG-OE2 3.43Å; H184-E494 IonicContact ND1-OE2 2.8Å; H184-E494 PolarHBondContact ND1-OE2 3.46Å; Y280-E494 PolarHBondContact OH-O 2.87Å; E494-I496 PolarHBondContact O-N 3.08Å
495	K	80	Confident	73.5	Confident	169 Å²	169	71.1 Å²	71.1	74%	0.735	37%	0.365	S	S	*	.			trans	-77.7	115.2	170.6	-66.6	-179.3	179.9	178.3	0	108.3	K497	K495-K497 PolarHBondContact O-N 2.83Å
496	I	70.7	Confident	72.5	Confident	39 Å²	39	73.4 Å²	73.4	20%	0.2	37%	0.374	C	S	.	.			trans	-61.7	104	161.1	-51.4	-176.8	0	0	0	106.9	W181 Y280 F282 E494	W181-I496 HydrophobicContact CB-CD1 4.22Å; W181-I496 HydrophobicContact CB-CG1 4.13Å; W181-I496 HydrophobicContact CD2-CD1 3.66Å; W181-I496 HydrophobicContact CD2-CG1 4.24Å; W181-I496 HydrophobicContact CE3-CD1 4.11Å; W181-I496 HydrophobicContact CE3-CG1 4.4Å; W181-I496 HydrophobicContact CE3-CG2 4.42Å; W181-I496 HydrophobicContact CG-CD1 3.72Å; W181-I496 HydrophobicContact CG-CG1 4.15Å; Y280-I496 HydrophobicContact CE2-CD1 4.14Å; Y280-I496 HydrophobicContact CE2-CG1 4.45Å; Y280-I496 VanDerWaalsContact OH-CG1 3.3Å; Y280-I496 WeakPolarHBondContact OH-CG1 3.29Å; F282-I496 HydrophobicContact CE2-CD1 3.95Å; E494-I496 PolarHBondContact O-N 3.08Å
497	K	59.8	Low	71.4	Confident	116 Å²	116	79.2 Å²	79.2	50%	0.504	40%	0.399	S	S	.	.			trans	-96.1	155.8	162.8	-58	168.9	179.8	167.8	0	107.3	K495 E499	K495-K497 PolarHBondContact O-N 2.83Å; K497-E499 HydrophobicContact CB-CG 4.05Å; K497-E499 HydrophobicContact CD-CG 3.88Å; K497-E499 WeakPolarHBondContact CD-OE1 3.12Å; K497-E499 WeakPolarHBondContact CE-OE1 2.81Å; K497-E499 VanDerWaalsContact NZ-CD 3.28Å; K497-E499 IonicContact NZ-OE1 2.75Å; K497-E499 PolarHBondContact NZ-OE1 2.77Å; K497-E499 IonicContact NZ-OE2 3.69Å; K497-E499 PolarHBondContact NZ-OE2 3.01Å; K497-E499 PolarHBondContact O-N 3.04Å
498	N	47.7	Very low	70.9	Confident	99 Å²	99	80.1 Å²	80.1	53%	0.529	40%	0.403	S	S	.	.			trans	-76.1	65.5	161.3	-75.3	18.3	0	0	0	110.4	A6	A6-N498 PolarHBondContact O-ND2 3.47Å
499	E	41.6	Very low	70.5	Confident	131 Å²	131	82.8 Å²	82.8	61%	0.612	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	135.6	162.1	-73	177.2	171.3	0	0	107.4	K497	K497-E499 HydrophobicContact CB-CG 4.05Å; K497-E499 HydrophobicContact CD-CG 3.88Å; K497-E499 WeakPolarHBondContact CD-OE1 3.12Å; K497-E499 WeakPolarHBondContact CE-OE1 2.81Å; K497-E499 VanDerWaalsContact NZ-CD 3.28Å; K497-E499 IonicContact NZ-OE1 2.75Å; K497-E499 PolarHBondContact NZ-OE1 2.77Å; K497-E499 IonicContact NZ-OE2 3.69Å; K497-E499 PolarHBondContact NZ-OE2 3.01Å; K497-E499 PolarHBondContact O-N 3.04Å
500	Q	39.6	Very low	70	Confident	187 Å²	187	86.7 Å²	86.7	87%	0.874	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	32.9	-169.9	-49.4	-168.3	1.5	0	0	118.4
501	M	39.5	Very low	69.6	Low	117 Å²	117	89.9 Å²	89.9	58%	0.576	45%	0.447	S	S	*	.			trans	-112.8	24.3	150.4	-90	-105.9	-89.1	0	0	113.8	T503	M501-T503 HydrophobicContact CB-CG2 4.12Å; M501-T503 HydrophobicContact CG-CG2 3.88Å; M501-T503 PolarHBondContact O-N 2.99Å; M501-T503 HydrophobicContact SD-CG2 3.41Å; M501-T503 WeakPolarHBondContact SD-CG2 3.49Å
502	I	46.3	Very low	69.3	Low	136 Å²	136	92.8 Å²	92.8	70%	0.697	47%	0.467	S	S	*	.	S	Bend	trans	-75.8	72.7	152	-63.2	-179.2	0	0	0	106.1	I506	I502-I506 HydrophobicContact CB-CD1 4.44Å; I502-I506 HydrophobicContact CG2-CB 3.91Å; I502-I506 HydrophobicContact CG2-CD1 3.81Å; I502-I506 HydrophobicContact CG2-CG1 4.44Å; I502-I506 HydrophobicContact CG2-CG2 3.76Å
503	T	52.6	Low	69.1	Low	57 Å²	57	94.7 Å²	94.7	35%	0.35	48%	0.48	S	S	.	.			trans	-78.8	177.4	-165.6	46.4	0	0	0	0	113	M501 P505 I506	M501-T503 HydrophobicContact CB-CG2 4.12Å; M501-T503 HydrophobicContact CG-CG2 3.88Å; M501-T503 PolarHBondContact O-N 2.99Å; M501-T503 HydrophobicContact SD-CG2 3.41Å; M501-T503 WeakPolarHBondContact SD-CG2 3.49Å; T503-P505 VanDerWaalsContact C-N 3.27Å; T503-P505 WeakPolarHBondContact O-CD 3.36Å; T503-P505 WeakPolarHBondContact OG1-CD 3.45Å; T503-P505 VanDerWaalsContact OG1-CG 3.25Å; T503-P505 WeakPolarHBondContact OG1-CG 3.35Å; T503-I506 PolarHBondContact O-N 2.93Å
504	L	56.3	Low	68.9	Low	118 Å²	118	97.2 Å²	97.2	62%	0.618	49%	0.494	S	S	*	.	H	α-helix	trans	-26.8	-49.2	169.4	-168.7	67.2	0	0	0	115.7	I506 F507 L508	L504-I506 PolarHBondContact O-N 2.89Å; L504-F507 PolarHBondContact O-N 2.89Å; L504-L508 HydrophobicContact CD1-CD1 4.41Å; L504-L508 HydrophobicContact CD1-CG 4.28Å; L504-L508 HydrophobicContact CD2-CD1 4.32Å; L504-L508 HydrophobicContact CG-CD1 3.81Å; L504-L508 HydrophobicContact CG-CG 4.13Å; L504-L508 WeakPolarHBondContact O-CB 3.02Å; L504-L508 VanDerWaalsContact O-CG 3.29Å; L504-L508 WeakPolarHBondContact O-CG 3.38Å; L504-L508 PolarHBondContact O-N 2.87Å
505	P	68.4	Low	68.8	Low	70 Å²	70	101 Å²	101	46%	0.455	52%	0.515	S	S	.	.	H	α-helix	trans	-51.6	-41.6	173.7	17.2	-34	0	0	0	115.6	T503 L508 I509	T503-P505 VanDerWaalsContact C-N 3.27Å; T503-P505 WeakPolarHBondContact O-CD 3.36Å; T503-P505 WeakPolarHBondContact OG1-CD 3.45Å; T503-P505 VanDerWaalsContact OG1-CG 3.25Å; T503-P505 WeakPolarHBondContact OG1-CG 3.35Å; P505-L508 PolarHBondContact O-N 2.89Å; P505-I509 WeakPolarHBondContact O-CB 3.38Å; P505-I509 WeakPolarHBondContact O-CD1 3.07Å; P505-I509 WeakPolarHBondContact O-CG1 3Å; P505-I509 PolarHBondContact O-N 3.11Å
506	I	73.4	Confident	69.3	Low	78 Å²	78	98.2 Å²	98.2	40%	0.4	51%	0.507	S	S	.	.	H	α-helix	trans	-74	-36.7	-179.9	-69.3	172.4	0	0	0	110.8	I502 T503 L504 I509 I510	I502-I506 HydrophobicContact CB-CD1 4.44Å; I502-I506 HydrophobicContact CG2-CB 3.91Å; I502-I506 HydrophobicContact CG2-CD1 3.81Å; I502-I506 HydrophobicContact CG2-CG1 4.44Å; I502-I506 HydrophobicContact CG2-CG2 3.76Å; T503-I506 PolarHBondContact O-N 2.93Å; L504-I506 PolarHBondContact O-N 2.89Å; I506-I509 PolarHBondContact O-N 2.86Å; I506-I510 HydrophobicContact CG2-CD1 4.04Å; I506-I510 VanDerWaalsContact O-CG1 3.31Å; I506-I510 WeakPolarHBondContact O-CG1 3.04Å; I506-I510 PolarHBondContact O-N 3.3Å
507	F	73	Confident	70.2	Confident	123 Å²	123	104.7 Å²	104.7	54%	0.539	54%	0.535	S	S	.	.	H	α-helix	trans	-62.9	-43	170.5	-179.1	-100.2	0	0	0	111.7	L504 I510 M511	L504-F507 PolarHBondContact O-N 2.89Å; F507-I510 PolarHBondContact O-N 3.11Å; F507-M511 HydrophobicContact CD1-CG 4.11Å; F507-M511 HydrophobicContact CD2-CG 4.49Å; F507-M511 HydrophobicContact CE1-CG 3.72Å; F507-M511 HydrophobicContact CE2-CG 4.13Å; F507-M511 HydrophobicContact CE2-SD 4.43Å; F507-M511 HydrophobicContact CG-CG 4.48Å; F507-M511 HydrophobicContact CZ-CG 3.73Å; F507-M511 HydrophobicContact CZ-SD 4.13Å; F507-M511 WeakPolarHBondContact O-CB 3.41Å; F507-M511 VanDerWaalsContact O-CG 3.3Å; F507-M511 WeakPolarHBondContact O-CG 3.4Å; F507-M511 PolarHBondContact O-N 2.98Å
508	L	81.2	Confident	71.7	Confident	97 Å²	97	103.8 Å²	103.8	51%	0.508	53%	0.534	S	S	.	.	H	α-helix	trans	-66.1	-36.6	175.7	-72.3	175.2	0	0	0	112.5	L504 P505 S512	L504-L508 HydrophobicContact CD1-CD1 4.41Å; L504-L508 HydrophobicContact CD1-CG 4.28Å; L504-L508 HydrophobicContact CD2-CD1 4.32Å; L504-L508 HydrophobicContact CG-CD1 3.81Å; L504-L508 HydrophobicContact CG-CG 4.13Å; L504-L508 WeakPolarHBondContact O-CB 3.02Å; L504-L508 VanDerWaalsContact O-CG 3.29Å; L504-L508 WeakPolarHBondContact O-CG 3.38Å; L504-L508 PolarHBondContact O-N 2.87Å; P505-L508 PolarHBondContact O-N 2.89Å; L508-S512 WeakPolarHBondContact O-CB 3.41Å; L508-S512 PolarHBondContact O-N 3.42Å
509	I	86	Confident	73.4	Confident	104 Å²	104	101.8 Å²	101.8	53%	0.533	53%	0.528	S	S	.	.	H	α-helix	trans	-64.3	-46.5	172.6	-73.2	162.2	0	0	0	110.1	P505 I506 S512 C513	P505-I509 WeakPolarHBondContact O-CB 3.38Å; P505-I509 WeakPolarHBondContact O-CD1 3.07Å; P505-I509 WeakPolarHBondContact O-CG1 3Å; P505-I509 PolarHBondContact O-N 3.11Å; I506-I509 PolarHBondContact O-N 2.86Å; I509-S512 PolarHBondContact O-N 2.86Å; I509-C513 WeakPolarHBondContact O-CB 3.32Å; I509-C513 PolarHBondContact O-N 2.98Å; I509-C513 PolarHBondContact O-SG 3.15Å
510	I	83.3	Confident	75.5	Confident	93 Å²	93	97 Å²	97	48%	0.477	51%	0.513	S	S	.	.	H	α-helix	trans	-61.3	-48.5	176.9	-70.4	166.1	0	0	0	110.6	I506 F507 S512 C513 I514	I506-I510 HydrophobicContact CG2-CD1 4.04Å; I506-I510 VanDerWaalsContact O-CG1 3.31Å; I506-I510 WeakPolarHBondContact O-CG1 3.04Å; I506-I510 PolarHBondContact O-N 3.3Å; F507-I510 PolarHBondContact O-N 3.11Å; I510-S512 PolarHBondContact O-N 2.62Å; I510-C513 PolarHBondContact O-N 2.81Å; I510-I514 HydrophobicContact CG2-CD1 3.82Å; I510-I514 VanDerWaalsContact O-CG1 3.27Å; I510-I514 WeakPolarHBondContact O-CG1 3.47Å; I510-I514 PolarHBondContact O-N 2.92Å
511	M	85.7	Confident	77.7	Confident	74 Å²	74	90.9 Å²	90.9	37%	0.365	50%	0.495	S	S	.	.	H	α-helix	trans	-64.8	-37	178	-70.5	-59.4	-64.8	0	0	112.5	F507 I514 L515	F507-M511 HydrophobicContact CD1-CG 4.11Å; F507-M511 HydrophobicContact CD2-CG 4.49Å; F507-M511 HydrophobicContact CE1-CG 3.72Å; F507-M511 HydrophobicContact CE2-CG 4.13Å; F507-M511 HydrophobicContact CE2-SD 4.43Å; F507-M511 HydrophobicContact CG-CG 4.48Å; F507-M511 HydrophobicContact CZ-CG 3.73Å; F507-M511 HydrophobicContact CZ-SD 4.13Å; F507-M511 WeakPolarHBondContact O-CB 3.41Å; F507-M511 VanDerWaalsContact O-CG 3.3Å; F507-M511 WeakPolarHBondContact O-CG 3.4Å; F507-M511 PolarHBondContact O-N 2.98Å; M511-I514 PolarHBondContact O-N 2.73Å; M511-I514 HydrophobicContact SD-CD1 4.38Å; M511-L515 WeakPolarHBondContact O-CB 3.02Å; M511-L515 VanDerWaalsContact O-CG 3.24Å; M511-L515 WeakPolarHBondContact O-CG 3.05Å; M511-L515 PolarHBondContact O-N 2.04Å
512	S	88.9	Confident	79.8	Confident	63 Å²	63	89.1 Å²	89.1	44%	0.441	49%	0.491	S	S	.	.	H	α-helix	trans	-64.7	-45.8	173.7	-177	0	0	0	0	111.4	L508 I509 I510 I514 L515 L516	L508-S512 WeakPolarHBondContact O-CB 3.41Å; L508-S512 PolarHBondContact O-N 3.42Å; I509-S512 PolarHBondContact O-N 2.86Å; I510-S512 PolarHBondContact O-N 2.62Å; S512-I514 VanDerWaalsContact C-N 3.35Å; S512-I514 PolarHBondContact O-N 3.23Å; S512-L515 PolarHBondContact O-N 2.97Å; S512-L516 WeakPolarHBondContact O-CB 3.47Å; S512-L516 VanDerWaalsContact O-CG 3.3Å; S512-L516 WeakPolarHBondContact O-CG 3.39Å; S512-L516 PolarHBondContact O-N 2.93Å
513	C	90.9	Very high	81.2	Confident	64 Å²	64	89.1 Å²	89.1	43%	0.432	49%	0.49	S	S	.	.	H	α-helix	trans	-60.2	-42.2	173.4	-73.3	0	0	0	0	112	I509 I510 L516 F517	I509-C513 WeakPolarHBondContact O-CB 3.32Å; I509-C513 PolarHBondContact O-N 2.98Å; I509-C513 PolarHBondContact O-SG 3.15Å; I510-C513 PolarHBondContact O-N 2.81Å; C513-L516 PolarHBondContact O-N 3.21Å; C513-F517 WeakPolarHBondContact O-CB 3.38Å; C513-F517 WeakPolarHBondContact O-CD2 3.16Å; C513-F517 PolarHBondContact O-N 2.03Å
514	I	90.7	Very high	82.5	Confident	78 Å²	78	91.6 Å²	91.6	40%	0.4	50%	0.5	S	S	.	.	H	α-helix	trans	-63.3	-46	175.4	-69.9	169.7	0	0	0	110.9	I510 M511 S512 L516 F517 I518	I510-I514 HydrophobicContact CG2-CD1 3.82Å; I510-I514 VanDerWaalsContact O-CG1 3.27Å; I510-I514 WeakPolarHBondContact O-CG1 3.47Å; I510-I514 PolarHBondContact O-N 2.92Å; M511-I514 PolarHBondContact O-N 2.73Å; M511-I514 HydrophobicContact SD-CD1 4.38Å; S512-I514 VanDerWaalsContact C-N 3.35Å; S512-I514 PolarHBondContact O-N 3.23Å; I514-L516 PolarHBondContact O-N 3.29Å; I514-F517 PolarHBondContact O-N 2.87Å; I514-I518 HydrophobicContact CG2-CD1 3.7Å; I514-I518 HydrophobicContact CG2-CG1 4.41Å; I514-I518 WeakPolarHBondContact O-CB 3.43Å; I514-I518 VanDerWaalsContact O-CG1 3.28Å; I514-I518 WeakPolarHBondContact O-CG1 3.5Å; I514-I518 PolarHBondContact O-N 3Å
515	L	88.8	Confident	83.4	Confident	109 Å²	109	88.8 Å²	88.8	57%	0.571	49%	0.493	S	S	*	.	H	α-helix	trans	-63.4	-39.4	176.9	-74.9	167.9	0	0	0	112.1	M511 S512 I518 S519	M511-L515 WeakPolarHBondContact O-CB 3.02Å; M511-L515 VanDerWaalsContact O-CG 3.24Å; M511-L515 WeakPolarHBondContact O-CG 3.05Å; M511-L515 PolarHBondContact O-N 2.04Å; S512-L515 PolarHBondContact O-N 2.97Å; L515-I518 PolarHBondContact O-N 2.04Å; L515-S519 VanDerWaalsContact O-CB 3.32Å; L515-S519 WeakPolarHBondContact O-CB 3.41Å; L515-S519 PolarHBondContact O-N 3.27Å; L515-S519 PolarHBondContact O-OG 3.33Å
516	L	90.9	Very high	83.4	Confident	110 Å²	110	88.9 Å²	88.9	58%	0.576	49%	0.492	S	S	*	.	H	α-helix	trans	-63.8	-47.4	173.3	-74	168.8	0	0	0	111.1	S512 C513 I514 I518 S519 G520	S512-L516 WeakPolarHBondContact O-CB 3.47Å; S512-L516 VanDerWaalsContact O-CG 3.3Å; S512-L516 WeakPolarHBondContact O-CG 3.39Å; S512-L516 PolarHBondContact O-N 2.93Å; C513-L516 PolarHBondContact O-N 3.21Å; I514-L516 PolarHBondContact O-N 3.29Å; L516-I518 PolarHBondContact O-N 2.99Å; L516-S519 WeakPolarHBondContact CA-OG 3.48Å; L516-S519 PolarHBondContact O-N 2.94Å; L516-S519 PolarHBondContact O-OG 3.07Å; L516-G520 PolarHBondContact O-N 2.97Å
517	F	90.9	Very high	82.8	Confident	175 Å²	175	87.2 Å²	87.2	77%	0.768	50%	0.495	S	S	*	.	H	α-helix	trans	-59.3	-43.5	174.9	-99.6	-81.1	0	0	0	112.7	C513 I514 G520 A521	C513-F517 WeakPolarHBondContact O-CB 3.38Å; C513-F517 WeakPolarHBondContact O-CD2 3.16Å; C513-F517 PolarHBondContact O-N 2.03Å; I514-F517 PolarHBondContact O-N 2.87Å; F517-G520 PolarHBondContact O-N 3.2Å; F517-A521 WeakPolarHBondContact O-CB 3.37Å; F517-A521 PolarHBondContact O-N 3.1Å
518	I	90	Very high	82	Confident	96 Å²	96	89.5 Å²	89.5	49%	0.492	51%	0.505	S	S	.	.	H	α-helix	trans	-64.7	-45.5	176.3	-69.2	168.7	0	0	0	110.5	I514 L515 L516 G520 A521 V522	I514-I518 HydrophobicContact CG2-CD1 3.7Å; I514-I518 HydrophobicContact CG2-CG1 4.41Å; I514-I518 WeakPolarHBondContact O-CB 3.43Å; I514-I518 VanDerWaalsContact O-CG1 3.28Å; I514-I518 WeakPolarHBondContact O-CG1 3.5Å; I514-I518 PolarHBondContact O-N 3Å; L515-I518 PolarHBondContact O-N 2.04Å; L516-I518 PolarHBondContact O-N 2.99Å; I518-G520 VanDerWaalsContact C-N 3.32Å; I518-G520 PolarHBondContact O-N 2.82Å; I518-A521 PolarHBondContact O-N 3.27Å; I518-V522 HydrophobicContact CG2-CG2 4.32Å; I518-V522 WeakPolarHBondContact O-CB 3.36Å; I518-V522 VanDerWaalsContact O-CG2 3.27Å; I518-V522 WeakPolarHBondContact O-CG2 3.44Å; I518-V522 PolarHBondContact O-N 2.72Å
519	S	83.2	Confident	80.6	Confident	57 Å²	57	92.1 Å²	92.1	40%	0.399	52%	0.519	S	S	.	.	H	α-helix	trans	-62.3	-38.3	176.8	75.1	0	0	0	0	112.4	L515 L516 V522 M523	L515-S519 VanDerWaalsContact O-CB 3.32Å; L515-S519 WeakPolarHBondContact O-CB 3.41Å; L515-S519 PolarHBondContact O-N 3.27Å; L515-S519 PolarHBondContact O-OG 3.33Å; L516-S519 WeakPolarHBondContact CA-OG 3.48Å; L516-S519 PolarHBondContact O-N 2.94Å; L516-S519 PolarHBondContact O-OG 3.07Å; S519-V522 PolarHBondContact O-N 3.13Å; S519-M523 VanDerWaalsContact O-CB 3.27Å; S519-M523 WeakPolarHBondContact O-CB 3.32Å; S519-M523 WeakPolarHBondContact O-CG 3.12Å; S519-M523 PolarHBondContact O-N 3.44Å
520	G	86.2	Confident	79	Confident	30 Å²	30	90.3 Å²	90.3	31%	0.309	52%	0.519	S	S	.	.	H	α-helix	trans	-65.8	-46.9	175	0	0	0	0	0	111.7	L516 F517 I518 V522 M523 I524	L516-G520 PolarHBondContact O-N 2.97Å; F517-G520 PolarHBondContact O-N 3.2Å; I518-G520 VanDerWaalsContact C-N 3.32Å; I518-G520 PolarHBondContact O-N 2.82Å; G520-V522 VanDerWaalsContact C-N 3.35Å; G520-V522 PolarHBondContact O-N 3.01Å; G520-M523 PolarHBondContact O-N 2.86Å; G520-I524 WeakPolarHBondContact O-CB 3.22Å; G520-I524 WeakPolarHBondContact O-CD1 3.03Å; G520-I524 VanDerWaalsContact O-CG1 3.23Å; G520-I524 WeakPolarHBondContact O-CG1 2.98Å; G520-I524 PolarHBondContact O-N 3.17Å
521	A	85	Confident	77.5	Confident	60 Å²	60	89 Å²	89	50%	0.496	52%	0.516	S	S	.	.	H	α-helix	trans	-61	-41.2	175.1	0	0	0	0	0	112.2	F517 I518 I524 A525	F517-A521 WeakPolarHBondContact O-CB 3.37Å; F517-A521 PolarHBondContact O-N 3.1Å; I518-A521 PolarHBondContact O-N 3.27Å; A521-I524 PolarHBondContact O-N 2.87Å; A521-A525 VanDerWaalsContact O-CB 3.3Å; A521-A525 WeakPolarHBondContact O-CB 3.39Å; A521-A525 PolarHBondContact O-N 2.81Å
522	V	84	Confident	76.1	Confident	79 Å²	79	91.7 Å²	91.7	48%	0.479	53%	0.531	S	S	.	.	H	α-helix	trans	-67.7	-42.9	175.1	170	0	0	0	0	111.7	I518 S519 G520 I524 A525 T526	I518-V522 HydrophobicContact CG2-CG2 4.32Å; I518-V522 WeakPolarHBondContact O-CB 3.36Å; I518-V522 VanDerWaalsContact O-CG2 3.27Å; I518-V522 WeakPolarHBondContact O-CG2 3.44Å; I518-V522 PolarHBondContact O-N 2.72Å; S519-V522 PolarHBondContact O-N 3.13Å; G520-V522 VanDerWaalsContact C-N 3.35Å; G520-V522 PolarHBondContact O-N 3.01Å; V522-I524 VanDerWaalsContact C-N 3.32Å; V522-I524 PolarHBondContact O-N 3.16Å; V522-A525 PolarHBondContact O-N 3.48Å; V522-T526 HydrophobicContact CG1-CG2 4.21Å; V522-T526 WeakPolarHBondContact O-CB 3.41Å; V522-T526 WeakPolarHBondContact O-CG2 3.33Å; V522-T526 PolarHBondContact O-N 2.03Å; V522-T526 PolarHBondContact O-OG1 3.34Å
523	M	76.9	Confident	74.4	Confident	137 Å²	137	97.8 Å²	97.8	68%	0.675	55%	0.549	S	S	*	.	H	α-helix	trans	-65.3	-34.7	176.8	-77.6	-67.1	-68.2	0	0	112.1	S519 G520 G527	S519-M523 VanDerWaalsContact O-CB 3.27Å; S519-M523 WeakPolarHBondContact O-CB 3.32Å; S519-M523 WeakPolarHBondContact O-CG 3.12Å; S519-M523 PolarHBondContact O-N 3.44Å; G520-M523 PolarHBondContact O-N 2.86Å; M523-G527 WeakPolarHBondContact O-CA 3.27Å; M523-G527 PolarHBondContact O-N 2.91Å
524	I	79.1	Confident	72.5	Confident	109 Å²	109	102.1 Å²	102.1	56%	0.559	56%	0.557	S	S	*	*	H	α-helix	trans	-67.5	-51.4	171.1	-68.8	164.3	0	0	0	109.7	G520 A521 V522 T526 G527 F528	G520-I524 WeakPolarHBondContact O-CB 3.22Å; G520-I524 WeakPolarHBondContact O-CD1 3.03Å; G520-I524 VanDerWaalsContact O-CG1 3.23Å; G520-I524 WeakPolarHBondContact O-CG1 2.98Å; G520-I524 PolarHBondContact O-N 3.17Å; A521-I524 PolarHBondContact O-N 2.87Å; V522-I524 VanDerWaalsContact C-N 3.32Å; V522-I524 PolarHBondContact O-N 3.16Å; I524-T526 PolarHBondContact O-N 2.84Å; I524-G527 PolarHBondContact O-N 2.84Å; I524-F528 HydrophobicContact CG2-CD2 4.03Å; I524-F528 HydrophobicContact CG2-CE2 4.24Å; I524-F528 WeakPolarHBondContact O-CD2 3.15Å; I524-F528 PolarHBondContact O-N 3.21Å
525	A	74.5	Confident	70.9	Confident	58 Å²	58	104.3 Å²	104.3	48%	0.479	57%	0.566	S	S	.	*	H	α-helix	trans	-60.9	-39.9	-178.6	0	0	0	0	0	113.3	A521 V522 L529	A521-A525 VanDerWaalsContact O-CB 3.3Å; A521-A525 WeakPolarHBondContact O-CB 3.39Å; A521-A525 PolarHBondContact O-N 2.81Å; V522-A525 PolarHBondContact O-N 3.48Å; A525-L529 WeakPolarHBondContact O-CD1 3.26Å; A525-L529 WeakPolarHBondContact O-CG 3.42Å
526	T	68.9	Low	69.4	Low	72 Å²	72	108.5 Å²	108.5	44%	0.442	57%	0.574	S	S	.	*	H	α-helix	trans	-81.3	-36.1	178	57.3	0	0	0	0	112.5	V522 I524 F528 L529 A530	V522-T526 HydrophobicContact CG1-CG2 4.21Å; V522-T526 WeakPolarHBondContact O-CB 3.41Å; V522-T526 WeakPolarHBondContact O-CG2 3.33Å; V522-T526 PolarHBondContact O-N 2.03Å; V522-T526 PolarHBondContact O-OG1 3.34Å; I524-T526 PolarHBondContact O-N 2.84Å; T526-F528 VanDerWaalsContact C-N 3.31Å; T526-F528 PolarHBondContact O-N 2.94Å; T526-L529 CarbonylContact O-C 3.58Å; T526-L529 WeakPolarHBondContact O-CA 3.36Å; T526-L529 PolarHBondContact O-N 3.37Å; T526-A530 PolarHBondContact O-N 3.21Å
527	G	60.7	Low	67.9	Low	44 Å²	44	110.9 Å²	110.9	45%	0.454	58%	0.575	S	S	.	*	H	α-helix	trans	-65	-30	175.3	0	0	0	0	0	113.9	M523 I524 L529	M523-G527 WeakPolarHBondContact O-CA 3.27Å; M523-G527 PolarHBondContact O-N 2.91Å; I524-G527 PolarHBondContact O-N 2.84Å; G527-L529 VanDerWaalsContact C-N 3.29Å
528	F	55.6	Low	66.3	Low	170 Å²	170	107.1 Å²	107.1	75%	0.746	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-13.4	169.9	-89.3	-83.4	0	0	0	113.9	I524 T526	I524-F528 HydrophobicContact CG2-CD2 4.03Å; I524-F528 HydrophobicContact CG2-CE2 4.24Å; I524-F528 WeakPolarHBondContact O-CD2 3.15Å; I524-F528 PolarHBondContact O-N 3.21Å; T526-F528 VanDerWaalsContact C-N 3.31Å; T526-F528 PolarHBondContact O-N 2.94Å
529	L	53.6	Low	64.9	Low	153 Å²	153	112 Å²	112	80%	0.801	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	-19	177.1	-67.5	173.5	0	0	0	113.5	A525 T526 G527	A525-L529 WeakPolarHBondContact O-CD1 3.26Å; A525-L529 WeakPolarHBondContact O-CG 3.42Å; T526-L529 CarbonylContact O-C 3.58Å; T526-L529 WeakPolarHBondContact O-CA 3.36Å; T526-L529 PolarHBondContact O-N 3.37Å; G527-L529 VanDerWaalsContact C-N 3.29Å
530	A	51.7	Low	63.6	Low	65 Å²	65	117.8 Å²	117.8	54%	0.537	59%	0.593	S	S	.	*	S	Bend	trans	-134.4	119.6	172.4	0	0	0	0	0	111.4	T526	T526-A530 PolarHBondContact O-N 3.21Å
531	P	52.4	Low	62	Low	65 Å²	65	121.8 Å²	121.8	42%	0.422	61%	0.606	S	S	.	*			cis	-145.9	83.3	25	41.3	-18.9	0	0	0	115.8	K533 W534	P531-K533 PolarHBondContact O-N 3.47Å; P531-W534 HydrophobicContact CB-CB 3.66Å; P531-W534 HydrophobicContact CG-CB 3.95Å; P531-W534 HydrophobicContact CG-CE3 4.04Å; P531-W534 PolarHBondContact O-N 2.97Å
532	I	55.3	Low	60.3	Low	132 Å²	132	124.2 Å²	124.2	68%	0.677	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	-23.4	172.5	-66.1	175.5	0	0	0	112.6
533	K	52.7	Low	58.2	Low	190 Å²	190	130 Å²	130	83%	0.826	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-31.6	174.7	-68.7	-178.1	178	176.8	0	114.2	P531 R536 W537	P531-K533 PolarHBondContact O-N 3.47Å; K533-R536 PolarHBondContact O-N 3.18Å; K533-W537 PolarHBondContact O-N 3.28Å
534	W	51.5	Low	56.9	Low	156 Å²	156	132.1 Å²	132.1	59%	0.591	64%	0.644	S	S	*	*	H	α-helix	trans	-76.5	-37	-173.7	-163.6	48.2	0	0	0	112.1	P531 R536 W537 L538	P531-W534 HydrophobicContact CB-CB 3.66Å; P531-W534 HydrophobicContact CG-CB 3.95Å; P531-W534 HydrophobicContact CG-CE3 4.04Å; P531-W534 PolarHBondContact O-N 2.97Å; W534-R536 PolarHBondContact O-N 3.41Å; W534-R536 VanDerWaalsContact O-N 3.14Å; W534-W537 PolarHBondContact O-N 2.98Å; W534-L538 HydrophobicContact CD2-CD1 4.11Å; W534-L538 HydrophobicContact CE3-CD1 4.39Å; W534-L538 HydrophobicContact CZ2-CD1 4.5Å; W534-L538 PolarHBondContact O-N 2.89Å; W534-L538 VanDerWaalsContact O-N 3.1Å
535	Q	56.6	Low	55	Low	124 Å²	124	134 Å²	134	58%	0.579	66%	0.655	S	S	*	*	H	α-helix	trans	-62.9	-15.1	170.7	-76.7	-166.4	-12.5	0	0	114.6	R539	Q535-R539 WeakPolarHBondContact O-CD 3.1Å; Q535-R539 WeakPolarHBondContact O-CG 3.43Å; Q535-R539 PolarHBondContact O-NE 2.83Å; Q535-R539 VanDerWaalsContact O-NE 3.12Å
536	R	58.5	Low	53.2	Low	197 Å²	197	137.6 Å²	137.6	74%	0.743	67%	0.671	S	S	*	*	H	α-helix	trans	-90.2	-19.3	171.4	-76.6	-175.4	172.4	177.5	-1.1	113.3	K533 W534	K533-R536 PolarHBondContact O-N 3.18Å; W534-R536 PolarHBondContact O-N 3.41Å; W534-R536 VanDerWaalsContact O-N 3.14Å
537	W	58.5	Low	51.9	Low	159 Å²	159	142.7 Å²	142.7	60%	0.602	69%	0.69	S	S	*	*	H	α-helix	trans	-84	-46.1	177	-172.4	76.1	0	0	0	111.1	K533 W534 R539 K540 L541	K533-W537 PolarHBondContact O-N 3.28Å; W534-W537 PolarHBondContact O-N 2.98Å; W537-R539 PolarHBondContact O-N 3.38Å; W537-K540 PolarHBondContact O-N 2.89Å; W537-L541 HydrophobicContact CH2-CD1 4.5Å; W537-L541 HydrophobicContact CZ3-CD1 4.48Å
538	L	58.2	Low	50.6	Low	96 Å²	96	144.7 Å²	144.7	50%	0.503	70%	0.702	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.3	-13.8	177	-70	168.1	0	0	0	114.4	W534	W534-L538 HydrophobicContact CD2-CD1 4.11Å; W534-L538 HydrophobicContact CE3-CD1 4.39Å; W534-L538 HydrophobicContact CZ2-CD1 4.5Å; W534-L538 PolarHBondContact O-N 2.89Å; W534-L538 VanDerWaalsContact O-N 3.1Å
539	R	59.6	Low	49.7	Very low	198 Å²	198	142 Å²	142	75%	0.747	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	7.6	173.3	-64.4	-177.4	-152	-162.3	2.8	114.1	Q535 W537	Q535-R539 WeakPolarHBondContact O-CD 3.1Å; Q535-R539 WeakPolarHBondContact O-CG 3.43Å; Q535-R539 PolarHBondContact O-NE 2.83Å; Q535-R539 VanDerWaalsContact O-NE 3.12Å; W537-R539 PolarHBondContact O-N 3.38Å
540	K	56.5	Low	48.8	Very low	180 Å²	180	142.1 Å²	142.1	78%	0.783	70%	0.702	S	S	*	*	S	Bend	trans	-121	5.5	-176.4	-78.5	-163.1	168.5	-163.1	0	115.3	W537	W537-K540 PolarHBondContact O-N 2.89Å
541	L	53.2	Low	48	Very low	113 Å²	113	147.9 Å²	147.9	59%	0.592	72%	0.72	S	S	*	*	S	Bend	trans	-88.5	132.3	173.3	-77.4	158.3	0	0	0	110	W537	W537-L541 HydrophobicContact CH2-CD1 4.5Å; W537-L541 HydrophobicContact CZ3-CD1 4.48Å
542	P	47.4	Very low	47.2	Very low	111 Å²	111	148.6 Å²	148.6	72%	0.721	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-64.6	159.3	179.5	-21.4	33.4	0	0	0	113.2
543	K	40.2	Very low	46.1	Very low	202 Å²	202	147.2 Å²	147.2	88%	0.878	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-103.2	122	160	-67.3	-178.1	177	-175.5	0	107.8
544	E	49.2	Very low	45.3	Very low	180 Å²	180	145.4 Å²	145.4	84%	0.841	74%	0.741	S	S	*	*			trans	-128.4	100.6	164	-76	-176.2	129.4	0	0	108.7
545	D	40.9	Very low	44.5	Very low	149 Å²	149	144.5 Å²	144.5	80%	0.797	75%	0.753	S	S	*	*			trans	53.7	160.3	138.7	-62	-4.3	0	0	0	123.1
546	V	36.3	Very low	43.7	Very low	133 Å²	133	144.1 Å²	144.1	81%	0.806	76%	0.761	S	S	*	*			trans	-130.2	121.9	-164.7	174.8	0	0	0	0	110
547	Q	40.7	Very low	42.6	Very low	179 Å²	179	141.2 Å²	141.2	84%	0.836	77%	0.765	S	S	*	*			trans	-125.1	124.2	158.2	-97.3	81.1	13.3	0	0	110.2
548	A	33.2	Very low	41.7	Very low	86 Å²	86	141.2 Å²	141.2	71%	0.711	78%	0.775	S	S	*	*			trans	-88.3	161.7	155.4	0	0	0	0	0	108.7
549	P	37.6	Very low	40.7	Very low	113 Å²	113	143.8 Å²	143.8	73%	0.734	79%	0.789	S	S	*	*				-151.6	150.5	88.7	39.5	-21.9	0	0	0	117.4
550	L	34.8	Very low	39.8	Very low	157 Å²	157	140.8 Å²	140.8	82%	0.822	79%	0.793	S	S	*	*			trans	49.8	133.7	133.8	-66.9	170.8	0	0	0	123.6
551	M	35	Very low	39	Very low	185 Å²	185	140.7 Å²	140.7	91%	0.911	79%	0.793	S	S	*	*			trans	75.9	125.7	144.5	-62.6	-81.9	-85.3	0	0	119.3
552	G	34.8	Very low	38.2	Very low	81 Å²	81	144.3 Å²	144.3	84%	0.835	81%	0.806	S	S	*	*			trans	159.4	95.2	171.3	0	0	0	0	0	113
553	S	32.2	Very low	37.8	Very low	102 Å²	102	144 Å²	144	71%	0.713	81%	0.813	S	S	*	*			trans	-80.3	139.1	179.2	52.4	0	0	0	0	113
554	N	37.1	Very low	37.6	Very low	152 Å²	152	142.8 Å²	142.8	81%	0.813	81%	0.811	S	S	*	*				166.2	145.1	121.2	-81.3	-25	0	0	0	112.1
555	V	35.1	Very low	37.2	Very low	138 Å²	138	140 Å²	140	84%	0.836	81%	0.811	S	S	*	*			trans	-123.1	124.7	172.2	175.9	0	0	0	0	108.6
556	P	39.6	Very low	37	Very low	115 Å²	115	139.8 Å²	139.8	75%	0.747	81%	0.81	S	S	*	*			trans	-96.4	118.3	173.6	33.6	-28.6	0	0	0	111.8
557	T	35.6	Very low	37.1	Very low	136 Å²	136	137.4 Å²	137.4	83%	0.834	81%	0.812	S	S	*	*			trans	-74.1	154.7	155.9	11.6	0	0	0	0	110.1
558	I	38.7	Very low	36.8	Very low	159 Å²	159	133 Å²	133	82%	0.815	82%	0.815	S	S	*	*			trans	-122.8	124.9	174.2	-62.8	179.3	0	0	0	108.9
559	D	36.4	Very low	36.9	Very low	150 Å²	150	132.8 Å²	132.8	80%	0.802	82%	0.821	S	S	*	*			trans	-107.7	144.4	-178.7	-110.8	-52	0	0	0	111.7
560	V	41.6	Very low	36.8	Very low	136 Å²	136	135.7 Å²	135.7	82%	0.824	83%	0.825	S	S	*	*			trans	-139.7	73.6	166.5	-167.9	0	0	0	0	111.8
561	K	40.1	Very low	37	Very low	178 Å²	178	135.7 Å²	135.7	77%	0.774	83%	0.826	S	S	*	*			trans	40	104.7	143.9	-66.1	-172.6	172.5	-174.6	0	120.5
562	E	36.9	Very low	37	Very low	188 Å²	188	132.1 Å²	132.1	88%	0.879	82%	0.819	S	S	*	*				24	131.7	119.2	-59.4	176.5	113.1	0	0	121.1
563	A	38.9	Very low	37.3	Very low	105 Å²	105	133.9 Å²	133.9	87%	0.868	82%	0.816	S	S	*	*				-148.4	119.3	121.4	0	0	0	0	0	110.2
564	Q	35.5	Very low	37.4	Very low	176 Å²	176	138 Å²	138	82%	0.822	82%	0.82	S	S	*	*			trans	-116.1	150.8	168.7	-82.7	-167.2	-12.5	0	0	110.6
565	S	39.7	Very low	37.5	Very low	121 Å²	121	138.7 Å²	138.7	85%	0.846	83%	0.825	S	S	*	*			trans	-149	139.9	150.9	-169.1	0	0	0	0	109.2
566	N	36.9	Very low	37.6	Very low	145 Å²	145	141.4 Å²	141.4	78%	0.775	83%	0.828	S	S	*	*			trans	-101.8	154.6	-172.8	-72	-54.4	0	0	0	112
567	G	38	Very low	37.6	Very low	83 Å²	83	140.3 Å²	140.3	86%	0.856	83%	0.829	S	S	*	*			trans	-170.6	83.5	173.3	0	0	0	0	0	111.5
568	G	34.3	Very low	37.7	Very low	87 Å²	87	143.7 Å²	143.7	90%	0.897	83%	0.832	S	S	*	*			trans	-93.1	160.5	176.9	0	0	0	0	0	113
569	G	36.6	Very low	37.9	Very low	81 Å²	81	140.9 Å²	140.9	84%	0.835	83%	0.826	S	S	*	*			trans	-174	123.4	173	0	0	0	0	0	111
570	E	34.3	Very low	38.1	Very low	175 Å²	175	139.7 Å²	139.7	82%	0.818	82%	0.82	S	S	*	*			trans	-85.1	148.7	-179.5	-62.4	158.3	104.6	0	0	111.3
571	N	40.6	Very low	38.2	Very low	157 Å²	157	140.9 Å²	140.9	84%	0.84	82%	0.816	S	S	*	*				165.2	154.6	110.6	-88.5	-67.1	0	0	0	113.9
572	S	34	Very low	38.1	Very low	109 Å²	109	135.8 Å²	135.8	76%	0.762	81%	0.814	S	S	*	*			trans	-106.9	170.3	160.6	-127.1	0	0	0	0	107.9
573	P	41.2	Very low	38.2	Very low	119 Å²	119	135.8 Å²	135.8	77%	0.773	81%	0.814	S	S	*	*			cis	-145.1	-157.9	37.6	43	-20.8	0	0	0	116
574	K	34.5	Very low	38.3	Very low	187 Å²	187	136.4 Å²	136.4	81%	0.813	81%	0.81	S	S	*	*			trans	-47.5	160.5	177.1	-49.6	167.7	178.7	178.7	0	116.5
575	D	39.6	Very low	38.5	Very low	168 Å²	168	135.6 Å²	135.6	90%	0.898	82%	0.816	S	S	*	*				-162.1	173.1	123.9	-104.3	-20	0	0	0	113.2
576	E	37.6	Very low	38.4	Very low	194 Å²	194	133.1 Å²	133.1	91%	0.907	81%	0.81	S	S	*	*			trans	-116.9	146.1	-167.5	-54.7	179.7	115.8	0	0	115.8
577	A	38.7	Very low	38.3	Very low	93 Å²	93	135.4 Å²	135.4	77%	0.769	82%	0.816	S	S	*	*			trans	-172	134.3	149.2	0	0	0	0	0	108.8
578	K	38.8	Very low	38.3	Very low	207 Å²	207	140 Å²	140	90%	0.9	82%	0.815	S	S	*	*				61.9	131	61.5	-73.3	-175.2	178.3	173.6	0	113.9
579	S	41.4	Very low	38.3	Very low	99 Å²	99	143.6 Å²	143.6	69%	0.692	81%	0.806	S	S	*	*			cis	-140.9	-163.7	-1	61.5	0	0	0	0	109.9
580	D	41	Very low	38.4	Very low	125 Å²	125	147.6 Å²	147.6	67%	0.668	80%	0.802	S	S	*	*			cis	-162.8	-173.2	39.5	-148	50.4	0	0	0	115.8
581	H	43	Very low	38.6	Very low	161 Å²	161	145.1 Å²	145.1	75%	0.745	80%	0.795	S	S	*	*			trans	-56.1	168.2	-165.3	-65.3	-63	0	0	0	118.6
582	G	38.4	Very low	38.4	Very low	71 Å²	71	145 Å²	145	73%	0.732	79%	0.792	S	S	*	*			cis	-162.6	-159.1	17.2	0	0	0	0	0	117.2
583	Q	39.1	Very low	38.6	Very low	188 Å²	188	145.6 Å²	145.6	88%	0.879	79%	0.794	S	S	*	*			trans	-107.4	166.5	-149.8	-86.9	171.6	-105.6	0	0	118.1
584	P	40.3	Very low	38.2	Very low	119 Å²	119	147.6 Å²	147.6	77%	0.773	79%	0.792	S	S	*	*			trans	-102.1	167	-178.3	40.7	-36.5	0	0	0	115.3
585	V	40	Very low	38.3	Very low	158 Å²	158	147.2 Å²	147.2	96%	0.958	80%	0.796	S	S	*	*			trans	-176.4	150.5	156.8	133.8	0	0	0	0	107
586	G	37.9	Very low	38.1	Very low	70 Å²	70	145.9 Å²	145.9	72%	0.722	79%	0.788	S	S	*	*			cis	-167.2	-155.6	1.4	0	0	0	0	0	112.5
587	H	35.4	Very low	37.9	Very low	193 Å²	193	145.4 Å²	145.4	89%	0.894	79%	0.786	S	S	*	*			trans	-71.8	154.9	-176	-72.5	-76.7	0	0	0	115
588	E	38.2	Very low	37.9	Very low	179 Å²	179	148 Å²	148	84%	0.836	79%	0.793	S	S	*	*				-143.9	155.2	127.4	-159.5	133.1	-125	0	0	110.8
589	K	33.3	Very low	37.7	Very low	162 Å²	162	144.4 Å²	144.4	70%	0.704	79%	0.788	S	S	*	*			trans	-119.8	142.9	172	-83.8	-178.5	171	-174.8	0	108
590	H	40.3	Very low	37.5	Very low	166 Å²	166	145.4 Å²	145.4	77%	0.769	79%	0.793	S	S	*	*			trans	-146.5	121.8	137.9	-77.7	-45.9	0	0	0	107
591	D	37.6	Very low	37.3	Very low	122 Å²	122	151.4 Å²	151.4	65%	0.652	81%	0.806	S	S	*	*				94.6	126.3	51.2	-68.7	-34.3	0	0	0	111.6
592	I	35.7	Very low	37.1	Very low	154 Å²	154	149.7 Å²	149.7	79%	0.79	81%	0.812	S	S	*	*			trans	-106.7	150.1	-174.2	-54.9	164.4	0	0	0	108
593	P	38.3	Very low	37.2	Very low	123 Å²	123	149.9 Å²	149.9	80%	0.799	81%	0.814	S	S	*	*			trans	-130	140.8	138.2	30.9	-18.2	0	0	0	113.8
594	H	33.1	Very low	37.2	Very low	160 Å²	160	152.4 Å²	152.4	74%	0.741	82%	0.816	S	S	*	*			trans	-67.2	145.9	159.9	-85.7	-125.5	0	0	0	110.6
595	M	37.5	Very low	37.2	Very low	180 Å²	180	158 Å²	158	89%	0.887	84%	0.839	S	S	*	*			trans	-148.2	117.8	131.6	-81.4	-163.1	164.1	0	0	105.9
596	D	35.2	Very low	37.1	Very low	139 Å²	139	158.1 Å²	158.1	74%	0.743	83%	0.833	S	S	*	*				94.4	140.7	56.8	-83.9	-2.1	0	0	0	112.5
597	E	32.8	Very low	37	Very low	185 Å²	185	162.7 Å²	162.7	86%	0.864	84%	0.839	S	S	*	*			trans	-76.3	147.3	-175.1	-56	173.1	103.9	0	0	111.9
598	T	38.4	Very low	37.1	Very low	147 Å²	147	161 Å²	161	90%	0.902	84%	0.836	S	S	*	*			trans	-165	161.6	130.3	8.9	0	0	0	0	113.4
599	T	35.2	Very low	37.1	Very low	131 Å²	131	159.9 Å²	159.9	80%	0.804	84%	0.836	S	S	*	*			trans	-89.8	163.7	-167.9	23.8	0	0	0	0	114.5
600	P	36.8	Very low	37.3	Very low	121 Å²	121	159.8 Å²	159.8	79%	0.786	84%	0.844	S	S	*	*			trans	-80.8	162.6	-166.6	33.1	-38.1	0	0	0	114.5
601	R	37.4	Very low	37.1	Very low	250 Å²	250	159.4 Å²	159.4	94%	0.943	85%	0.849	S	S	*	*			trans	-143.8	149.3	165.4	-114.1	177.7	-178.8	173.5	1.5	112.9
602	S	37.6	Very low	37.1	Very low	126 Å²	126	162.1 Å²	162.1	88%	0.881	86%	0.864	S	S	*	*			trans	-84.5	153	-179	49.3	0	0	0	0	112.9
603	G	41.1	Very low	37.2	Very low	75 Å²	75	162.7 Å²	162.7	77%	0.773	87%	0.869	S	S	*	*			trans	-162	116.9	175.8	0	0	0	0	0	111.8
604	R	39.9	Very low	37.1	Very low	241 Å²	241	166 Å²	166	91%	0.909	88%	0.875	S	S	*	*			trans	-50.1	139	-176.7	-65	169.6	174.1	156	-4.1	114.5
605	N	40.3	Very low	37.5	Very low	237 Å²	237	166.5 Å²	166.5	100%	1.267	89%	0.887	S	S	*	*				-142.3	0	95.1	-93.2	-19.6	0	0	0	110.1

Retrieved 605 of 605 residues in 1812.9 ms (Link to these results)

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