A0A5K4F095_SCHMA Loading...

Dynein regulatory complex subunit 5

AlphaFold DB , UniProt , Accession A0A5K4F095, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 531 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	40.7	Very low	36.8	Very low	241 Å²	241	154.6 Å²	154.6	100%	1.187	85%	0.849	S	S	*	*				0	113.9	0	-74.5	170.1	63.8	0	0	105.9
2	A	37.4	Very low	36.4	Very low	93 Å²	93	155.7 Å²	155.7	77%	0.769	84%	0.843	S	S	*	*			trans	-75.4	174	166.1	0	0	0	0	0	109.1
3	E	37.8	Very low	36.3	Very low	177 Å²	177	156.3 Å²	156.3	83%	0.827	85%	0.845	S	S	*	*			trans	102.2	124.9	-171	-62.9	169.5	-167.4	0	0	110.5
4	D	38.2	Very low	36	Very low	138 Å²	138	153.8 Å²	153.8	74%	0.738	83%	0.831	S	S	*	*			cis	-154.4	145.2	17.1	-92.5	-34.2	0	0	0	111.4
5	E	34.4	Very low	35.7	Very low	191 Å²	191	151.9 Å²	151.9	89%	0.893	83%	0.827	S	S	*	*			trans	-67.2	130.3	160.8	-63.4	173.9	151.6	0	0	110.3
6	K	41.2	Very low	35.6	Very low	205 Å²	205	152.1 Å²	152.1	89%	0.891	83%	0.827	S	S	*	*			trans	-150.9	124.4	155.8	-79.7	-164.8	179.2	168.8	0	111.9
7	G	35.4	Very low	35.5	Very low	73 Å²	73	149.6 Å²	149.6	75%	0.753	82%	0.824	S	S	*	*			trans	118.5	71.7	138.8	0	0	0	0	0	116.2	S9	G7-S9 PolarHBondContact O-N 3.01Å
8	D	32.5	Very low	35.4	Very low	165 Å²	165	151.3 Å²	151.3	88%	0.882	83%	0.828	S	S	*	*			trans	-56.6	123.7	148.5	-86.2	-41.2	0	0	0	109.8
9	S	38.3	Very low	35.4	Very low	108 Å²	108	149.3 Å²	149.3	76%	0.755	82%	0.82	S	S	*	*			trans	-130.8	93.8	156.8	63.8	0	0	0	0	108.5	G7 T11	G7-S9 PolarHBondContact O-N 3.01Å; S9-T11 PolarHBondContact O-N 3.26Å
10	Q	32.7	Very low	35.4	Very low	180 Å²	180	149.6 Å²	149.6	84%	0.841	82%	0.82	S	S	*	*			trans	-66.9	114.5	162.7	-71.9	168.9	-33.1	0	0	108.6
11	T	36.2	Very low	35.3	Very low	130 Å²	130	150.2 Å²	150.2	80%	0.798	82%	0.818	S	S	*	*			trans	-120.6	101.5	156.8	42.2	0	0	0	0	107.5	S9 D13	S9-T11 PolarHBondContact O-N 3.26Å; T11-D13 PolarHBondContact O-N 3.16Å
12	Q	31.5	Very low	35	Very low	167 Å²	167	147 Å²	147	78%	0.78	80%	0.8	S	S	*	*			trans	-62.2	116	157.6	-77	170.8	-88	0	0	107.6
13	D	35.2	Very low	34.9	Very low	164 Å²	164	148.7 Å²	148.7	88%	0.877	80%	0.8	S	S	*	*			trans	-115.8	107.1	153	-104.4	-22.1	0	0	0	106.9	T11	T11-D13 PolarHBondContact O-N 3.16Å
14	D	31.8	Very low	34.7	Very low	121 Å²	121	145.9 Å²	145.9	65%	0.647	80%	0.795	S	S	*	*			trans	-70.6	163.5	167.2	-73.6	-49.4	0	0	0	110.1
15	T	32.6	Very low	34.4	Very low	126 Å²	126	148.4 Å²	148.4	77%	0.773	80%	0.799	S	S	*	*			trans	83.2	94.9	162.6	71.4	0	0	0	0	117.8
16	D	34.3	Very low	34.4	Very low	154 Å²	154	148.3 Å²	148.3	82%	0.824	80%	0.796	S	S	*	*				179.7	93.3	101	-101	-18.5	0	0	0	110.9	M18	D16-M18 PolarHBondContact O-N 3.1Å; D16-M18 VanDerWaalsContact O-N 3.14Å
17	S	32.9	Very low	33.9	Very low	110 Å²	110	146.6 Å²	146.6	77%	0.769	79%	0.791	S	S	*	*			trans	-77.2	89.1	166.8	63.8	0	0	0	0	109.5	V19	S17-V19 VanDerWaalsContact C-N 3.28Å; S17-V19 PolarHBondContact O-N 2.92Å
18	M	34.8	Very low	33.8	Very low	181 Å²	181	150.2 Å²	150.2	89%	0.892	79%	0.791	S	S	*	*			trans	-74.4	87.8	162	-73.3	-163.6	82.6	0	0	109.2	D16 N20	D16-M18 PolarHBondContact O-N 3.1Å; D16-M18 VanDerWaalsContact O-N 3.14Å; M18-N20 PolarHBondContact O-N 3.41Å
19	V	35.2	Very low	33.7	Very low	113 Å²	113	151.4 Å²	151.4	69%	0.685	79%	0.789	S	S	*	*			trans	-66.7	99.5	167.4	176.7	0	0	0	0	107.8	S17 Q21	S17-V19 VanDerWaalsContact C-N 3.28Å; S17-V19 PolarHBondContact O-N 2.92Å; V19-Q21 HydrophobicContact CG1-CG 4.4Å; V19-Q21 PolarHBondContact O-N 2.83Å
20	N	34.1	Very low	33.5	Very low	155 Å²	155	152 Å²	152	83%	0.829	79%	0.788	S	S	*	*			trans	-73.5	95.5	174.1	-144.5	-5.8	0	0	0	108.2	M18 Q22	M18-N20 PolarHBondContact O-N 3.41Å; N20-Q22 PolarHBondContact O-N 3.26Å
21	Q	33.6	Very low	33.4	Very low	163 Å²	163	147.4 Å²	147.4	76%	0.762	78%	0.776	S	S	*	*			trans	-65.6	95	177.7	-70.4	178.2	-8.3	0	0	109.7	V19 V23	V19-Q21 HydrophobicContact CG1-CG 4.4Å; V19-Q21 PolarHBondContact O-N 2.83Å; Q21-V23 PolarHBondContact O-N 3.28Å; Q21-V23 VanDerWaalsContact O-N 3.13Å
22	Q	34.3	Very low	33.2	Very low	174 Å²	174	147.5 Å²	147.5	81%	0.813	78%	0.779	S	S	*	*			trans	-69.2	107.3	163.3	-83.8	-174.7	-13.1	0	0	108.9	N20 V24	N20-Q22 PolarHBondContact O-N 3.26Å; Q22-V24 VanDerWaalsContact C-N 3.3Å; Q22-V24 PolarHBondContact O-N 2.93Å
23	V	35.4	Very low	33.2	Very low	127 Å²	127	144.8 Å²	144.8	77%	0.77	77%	0.773	S	S	*	*			trans	-65.6	87.6	171.8	179.7	0	0	0	0	108.6	Q21 K25	Q21-V23 PolarHBondContact O-N 3.28Å; Q21-V23 VanDerWaalsContact O-N 3.13Å; V23-K25 PolarHBondContact O-N 3.11Å
24	V	33.7	Very low	33	Very low	118 Å²	118	144 Å²	144	72%	0.715	77%	0.77	S	S	*	*			trans	-75	102.7	166	-179.6	0	0	0	0	107	Q22 K26	Q22-V24 VanDerWaalsContact C-N 3.3Å; Q22-V24 PolarHBondContact O-N 2.93Å; V24-K26 PolarHBondContact O-N 3.05Å
25	K	33.3	Very low	33	Very low	191 Å²	191	145 Å²	145	83%	0.83	78%	0.78	S	S	*	*			trans	-57.7	99.3	167.4	-80.6	179.8	173.9	178	0	108.4	V23 E27	V23-K25 PolarHBondContact O-N 3.11Å; K25-E27 PolarHBondContact O-N 3.43Å; K25-E27 VanDerWaalsContact O-N 3.11Å
26	K	32.8	Very low	32.9	Very low	189 Å²	189	145.9 Å²	145.9	82%	0.822	79%	0.785	S	S	*	*			trans	-68.6	99.8	163.8	-84.8	-178.8	173.2	177.2	0	107.6	V24 I28	V24-K26 PolarHBondContact O-N 3.05Å; K26-I28 PolarHBondContact O-N 3.34Å; K26-I28 VanDerWaalsContact O-N 3.14Å
27	E	31.4	Very low	32.8	Very low	170 Å²	170	143.7 Å²	143.7	79%	0.794	78%	0.781	S	S	*	*			trans	-62.6	111.1	161	-74.7	-176.1	164.1	0	0	107.8	K25 F29	K25-E27 PolarHBondContact O-N 3.43Å; K25-E27 VanDerWaalsContact O-N 3.11Å; E27-F29 PolarHBondContact O-N 2.99Å
28	I	33.4	Very low	32.7	Very low	148 Å²	148	148 Å²	148	76%	0.759	79%	0.787	S	S	*	*			trans	-70.8	99.8	174.8	-61.3	169.2	0	0	0	105.9	K26 T30	K26-I28 PolarHBondContact O-N 3.34Å; K26-I28 VanDerWaalsContact O-N 3.14Å; I28-T30 VanDerWaalsContact C-N 3.33Å; I28-T30 HydrophobicContact CG2-CG2 4.41Å; I28-T30 PolarHBondContact O-N 3.2Å
29	F	30.5	Very low	32.4	Very low	190 Å²	190	148.4 Å²	148.4	83%	0.833	79%	0.788	S	S	*	*			trans	-61.3	97.3	165.9	-101.4	-94.9	0	0	0	108.1	E27 S31	E27-F29 PolarHBondContact O-N 2.99Å; F29-S31 PolarHBondContact O-N 2.81Å; F29-S31 VanDerWaalsContact O-N 3.14Å
30	T	33	Very low	32.1	Very low	121 Å²	121	152.4 Å²	152.4	74%	0.742	80%	0.799	S	S	*	*			trans	-69.2	105.5	167.8	43.6	0	0	0	0	107.5	I28	I28-T30 VanDerWaalsContact C-N 3.33Å; I28-T30 HydrophobicContact CG2-CG2 4.41Å; I28-T30 PolarHBondContact O-N 3.2Å
31	S	31.2	Very low	32	Very low	84 Å²	84	150 Å²	150	59%	0.587	80%	0.795	S	S	*	*			trans	-62.5	135.3	173.4	85.1	0	0	0	0	109.1	F29 V33	F29-S31 PolarHBondContact O-N 2.81Å; F29-S31 VanDerWaalsContact O-N 3.14Å; S31-V33 PolarHBondContact O-N 2.89Å; S31-V33 WeakPolarHBondContact OG-CG2 3.21Å
32	P	31.3	Very low	32	Very low	132 Å²	132	150.8 Å²	150.8	86%	0.857	80%	0.799	S	S	*	*			trans	-78.5	73.2	179.2	33	-33.4	0	0	0	109.5
33	V	33.1	Very low	31.6	Very low	109 Å²	109	151.1 Å²	151.1	66%	0.661	80%	0.802	S	S	*	*			trans	-117.2	80.5	171	-177.4	0	0	0	0	106	S31	S31-V33 PolarHBondContact O-N 2.89Å; S31-V33 WeakPolarHBondContact OG-CG2 3.21Å
34	N	30.5	Very low	31.7	Very low	149 Å²	149	150.3 Å²	150.3	80%	0.797	80%	0.8	S	S	*	*	S	Bend	trans	178.5	40.7	157.4	-92	-17.7	0	0	0	115.1
35	T	31	Very low	31.8	Very low	141 Å²	141	151.7 Å²	151.7	87%	0.865	80%	0.802	S	S	*	*			trans	-133.1	38	167	-23.8	0	0	0	0	112.7
36	V	31.4	Very low	31.7	Very low	145 Å²	145	149.4 Å²	149.4	88%	0.879	80%	0.798	S	S	*	*	S	Bend	trans	-125.4	69.3	171.5	-171.5	0	0	0	0	108.8
37	S	31.3	Very low	31.7	Very low	107 Å²	107	146.7 Å²	146.7	75%	0.748	79%	0.792	S	S	*	*	S	Bend	trans	-164.4	19	174	40.1	0	0	0	0	115.7
38	K	31.9	Very low	31.8	Very low	202 Å²	202	147.3 Å²	147.3	88%	0.878	80%	0.795	S	S	*	*	S	Bend	trans	-140.9	39.3	-179.1	-130.4	-178.6	-171.3	-177.4	0	116
39	M	28	Very low	31.7	Very low	189 Å²	189	147.6 Å²	147.6	93%	0.931	80%	0.798	S	S	*	*			trans	-149.6	61.9	164.3	-69.9	-166.2	178.7	0	0	110.3
40	Q	29.4	Very low	31.8	Very low	196 Å²	196	145.9 Å²	145.9	92%	0.916	80%	0.795	S	S	*	*			trans	-136.3	63.4	166	-83.9	-171.6	-18.2	0	0	109.1
41	S	31.6	Very low	31.7	Very low	105 Å²	105	146.8 Å²	146.8	73%	0.734	80%	0.796	S	S	*	*	S	Bend	trans	-164.4	133.2	158.5	57	0	0	0	0	107
42	E	32.6	Very low	31.8	Very low	179 Å²	179	149.8 Å²	149.8	84%	0.836	80%	0.804	S	S	*	*			trans	93.7	70.1	-176.2	-56	173.5	-164.1	0	0	113.5	P44	E42-P44 VanDerWaalsContact O-CD 3.26Å; E42-P44 WeakPolarHBondContact O-CD 3.33Å
43	M	27.3	Very low	31.8	Very low	181 Å²	181	152.7 Å²	152.7	89%	0.892	80%	0.804	S	S	*	*			trans	-69	110.9	141.1	-77.2	176.2	60	0	0	107	I45	M43-I45 PolarHBondContact O-N 3.3Å
44	P	37.7	Very low	31.9	Very low	111 Å²	111	150.7 Å²	150.7	72%	0.721	79%	0.794	S	S	*	*			trans	-72.6	126.9	168.6	-5.7	24.9	0	0	0	107.1	E42 L46	E42-P44 VanDerWaalsContact O-CD 3.26Å; E42-P44 WeakPolarHBondContact O-CD 3.33Å; P44-L46 PolarHBondContact O-N 3.07Å
45	I	35.9	Very low	32.1	Very low	147 Å²	147	149 Å²	149	75%	0.754	79%	0.791	S	S	*	*			trans	-52.5	131	174.6	-65.6	165.3	0	0	0	108.8	M43 D47	M43-I45 PolarHBondContact O-N 3.3Å; I45-D47 HydrophobicContact CG2-CB 4.2Å; I45-D47 PolarHBondContact O-N 3.01Å
46	L	29.8	Very low	32.6	Very low	142 Å²	142	146.9 Å²	146.9	74%	0.743	78%	0.782	S	S	*	*	S	Bend	trans	-72.3	22.7	-167.8	-124.7	105.5	0	0	0	115	P44	P44-L46 PolarHBondContact O-N 3.07Å
47	D	33.2	Very low	33	Very low	132 Å²	132	148.9 Å²	148.9	71%	0.706	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	7.6	-164.5	-81.2	-20.9	0	0	0	116.1	I45	I45-D47 HydrophobicContact CG2-CB 4.2Å; I45-D47 PolarHBondContact O-N 3.01Å
48	E	33.4	Very low	33.5	Very low	183 Å²	183	147.1 Å²	147.1	86%	0.855	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	8.7	176.4	-98.1	-170.9	166.6	0	0	115.7	I50	E48-I50 PolarHBondContact O-N 3.2Å; E48-I50 VanDerWaalsContact O-N 3.11Å
49	L	30.8	Very low	33.9	Very low	155 Å²	155	145.7 Å²	145.7	81%	0.812	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	5.9	173.6	-77.7	171.1	0	0	0	114.5
50	I	32.8	Very low	34.8	Very low	154 Å²	154	145.4 Å²	145.4	79%	0.79	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117	44.1	179.3	-42.1	175.5	0	0	0	111.3	E48	E48-I50 PolarHBondContact O-N 3.2Å; E48-I50 VanDerWaalsContact O-N 3.11Å
51	N	31.4	Very low	35.5	Very low	140 Å²	140	144.6 Å²	144.6	75%	0.749	75%	0.747	S	S	*	*	S	Bend	trans	-175.8	121	145.4	-119.8	-30.9	0	0	0	111.3
52	L	32.4	Very low	36.1	Very low	146 Å²	146	144.2 Å²	144.2	76%	0.764	73%	0.733	S	S	*	*			trans	150.1	80.2	138.2	-78.2	156.7	0	0	0	109	S54	L52-S54 PolarHBondContact O-N 3.42Å
53	K	31.8	Very low	36.8	Very low	194 Å²	194	141.8 Å²	141.8	84%	0.843	72%	0.722	S	S	*	*			trans	-48.1	95.3	142.7	-70.7	179.5	175.2	-176.1	0	107.9
54	S	35.2	Very low	37.7	Very low	66 Å²	66	140.8 Å²	140.8	46%	0.462	72%	0.72	S	S	.	*			trans	-127.6	114.5	167.4	46.7	0	0	0	0	108.1	L52 S56	L52-S54 PolarHBondContact O-N 3.42Å; S54-S56 PolarHBondContact O-N 3.08Å; S54-S56 VanDerWaalsContact O-N 3.07Å
55	P	35.8	Very low	38.2	Very low	114 Å²	114	143.2 Å²	143.2	74%	0.74	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-71.9	-3.8	-166	-16.2	29.5	0	0	0	115.2	K57 T58	P55-K57 PolarHBondContact O-N 3.24Å; P55-T58 PolarHBondContact O-N 3.07Å; P55-T58 PolarHBondContact O-OG1 3.1Å
56	S	41.8	Very low	38.7	Very low	96 Å²	96	138.8 Å²	138.8	67%	0.671	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-75.6	-24.6	-166.5	52.6	0	0	0	0	114.5	S54 T58	S54-S56 PolarHBondContact O-N 3.08Å; S54-S56 VanDerWaalsContact O-N 3.07Å; S56-T58 VanDerWaalsContact C-N 3.29Å; S56-T58 PolarHBondContact O-N 3.43Å
57	K	38	Very low	39.6	Very low	187 Å²	187	138.1 Å²	138.1	81%	0.813	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-80.1	-6.5	176.5	-73.5	-171.4	177.3	-179.8	0	114.4	P55 K59	P55-K57 PolarHBondContact O-N 3.24Å; K57-K59 VanDerWaalsContact C-N 3.31Å; K57-K59 PolarHBondContact O-N 3.48Å
58	T	42.7	Very low	40.4	Very low	70 Å²	70	135 Å²	135	43%	0.429	69%	0.686	S	S	.	*	G	3₁₀ helix	trans	-78.3	-12.9	-179.6	-19.6	0	0	0	0	113	P55 S56 F62	P55-T58 PolarHBondContact O-N 3.07Å; P55-T58 PolarHBondContact O-OG1 3.1Å; S56-T58 VanDerWaalsContact C-N 3.29Å; S56-T58 PolarHBondContact O-N 3.43Å; T58-F62 HydrophobicContact CG2-CD2 4.05Å; T58-F62 HydrophobicContact CG2-CE2 3.81Å; T58-F62 VanDerWaalsContact O-CD2 3.3Å; T58-F62 WeakPolarHBondContact O-CD2 3.32Å
59	K	41.2	Very low	41.3	Very low	172 Å²	172	133.9 Å²	133.9	75%	0.748	67%	0.674	S	S	*	*	S	Bend	trans	-70.8	-40.4	-176.5	-96.9	-175.8	174.5	179.9	0	113.6	K57	K57-K59 VanDerWaalsContact C-N 3.31Å; K57-K59 PolarHBondContact O-N 3.48Å
60	E	45.2	Very low	42.4	Very low	184 Å²	184	137.2 Å²	137.2	86%	0.86	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-24.2	-170.3	-72.2	-179.9	166.9	0	0	113.9	F62	E60-F62 PolarHBondContact O-N 3.43Å
61	K	44.2	Very low	43.3	Very low	178 Å²	178	136.6 Å²	136.6	77%	0.774	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-11.1	-178.6	-90	-172.7	174.9	-177.4	0	115.2
62	F	46	Very low	44.5	Very low	97 Å²	97	131.9 Å²	131.9	43%	0.425	65%	0.647	S	S	.	*	S	Bend	trans	-125.2	6	-163.3	-68.6	-85.4	0	0	0	115.4	T58 E60 N64	T58-F62 HydrophobicContact CG2-CD2 4.05Å; T58-F62 HydrophobicContact CG2-CE2 3.81Å; T58-F62 VanDerWaalsContact O-CD2 3.3Å; T58-F62 WeakPolarHBondContact O-CD2 3.32Å; E60-F62 PolarHBondContact O-N 3.43Å; F62-N64 PolarHBondContact O-N 3.1Å
63	E	47.2	Very low	45.8	Very low	129 Å²	129	134.8 Å²	134.8	60%	0.603	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-13	-179.3	-67	-151.8	120.9	0	0	114.6	Y65 R69	E63-Y65 VanDerWaalsContact C-N 3.33Å; E63-Y65 PolarHBondContact O-N 3.14Å; E63-R69 IonicContact OE1-NH2 2.62Å; E63-R69 PolarHBondContact OE1-NH2 3.44Å; E63-R69 VanDerWaalsContact OE1-NH2 3.12Å
64	N	46.2	Very low	47.3	Very low	159 Å²	159	131.6 Å²	131.6	85%	0.85	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-0.6	-173	-75.7	-4.3	0	0	0	115.7	F62	F62-N64 PolarHBondContact O-N 3.1Å
65	Y	47.4	Very low	48.6	Very low	163 Å²	163	133.3 Å²	133.3	64%	0.639	63%	0.633	S	S	*	*	S	Bend	trans	-90.3	-23.7	-164.2	-82.5	-75.8	0	0	0	117.2	E63	E63-Y65 VanDerWaalsContact C-N 3.33Å; E63-Y65 PolarHBondContact O-N 3.14Å
66	T	46.7	Very low	50.1	Low	54 Å²	54	130.3 Å²	130.3	33%	0.331	61%	0.613	S	S	.	*			trans	-159.2	154	178.8	106	0	0	0	0	115.1	D68 M72	T66-D68 PolarHBondContact OG1-N 2.89Å; T66-M72 HydrophobicContact CG2-CE 3.99Å; T66-M72 WeakPolarHBondContact OG1-CE 3.44Å
67	S	49.4	Very low	51.3	Low	128 Å²	128	130.6 Å²	130.6	90%	0.895	62%	0.62	S	S	*	*	S	Bend	trans	-89.9	-6.9	-178.8	-40.7	0	0	0	0	115.2
68	D	48.5	Very low	52.8	Low	66 Å²	66	129.6 Å²	129.6	35%	0.353	62%	0.619	S	S	.	*			trans	-124.7	99.8	-179.2	-161.7	-12.5	0	0	0	112.1	T66 R70	T66-D68 PolarHBondContact OG1-N 2.89Å; D68-R70 PolarHBondContact O-N 3.31Å; D68-R70 WeakPolarHBondContact OD1-CB 2.98Å; D68-R70 PolarHBondContact OD1-N 3.04Å; D68-R70 IonicContact OD1-NE 3.75Å
69	R	53.3	Low	54.1	Low	160 Å²	160	128.1 Å²	128.1	60%	0.604	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-12	179.6	-65.1	-165	179.3	-144.3	-1.9	113.3	E63 M72	E63-R69 IonicContact OE1-NH2 2.62Å; E63-R69 PolarHBondContact OE1-NH2 3.44Å; E63-R69 VanDerWaalsContact OE1-NH2 3.12Å; R69-M72 HydrophobicContact CG-CE 4.36Å
70	R	52.7	Low	55.5	Low	225 Å²	225	125 Å²	125	85%	0.849	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-22.5	-171.9	-69.3	-178.2	-82.4	-166.1	-7	114.6	D68	D68-R70 PolarHBondContact O-N 3.31Å; D68-R70 WeakPolarHBondContact OD1-CB 2.98Å; D68-R70 PolarHBondContact OD1-N 3.04Å; D68-R70 IonicContact OD1-NE 3.75Å
71	I	53.3	Low	57	Low	140 Å²	140	121.7 Å²	121.7	72%	0.718	59%	0.594	S	S	*	*	S	Bend	trans	-106.1	7.7	-172.5	-54.9	171.6	0	0	0	111.8	R73	I71-R73 PolarHBondContact O-N 2.84Å
72	M	56.1	Low	58	Low	42 Å²	42	121.7 Å²	121.7	21%	0.207	59%	0.59	C	S	.	*			trans	-75.8	115.7	-170.3	-69.1	-177.7	174.7	0	0	113.2	T66 R69 R74 I86	T66-M72 HydrophobicContact CG2-CE 3.99Å; T66-M72 WeakPolarHBondContact OG1-CE 3.44Å; R69-M72 HydrophobicContact CG-CE 4.36Å; M72-R74 HydrophobicContact CB-CG 4.49Å; M72-R74 PolarHBondContact O-N 3.49Å; M72-I86 HydrophobicContact CE-CD1 3.89Å; M72-I86 HydrophobicContact CE-CG2 4.33Å; M72-I86 HydrophobicContact CG-CG2 4.21Å; M72-I86 HydrophobicContact SD-CD1 3.65Å; M72-I86 HydrophobicContact SD-CG1 3.87Å; M72-I86 HydrophobicContact SD-CG2 4.06Å
73	R	60.3	Low	59.1	Low	207 Å²	207	120.3 Å²	120.3	78%	0.781	59%	0.587	S	S	*	*			trans	-72	120.6	156.4	-71.3	-172.4	177.7	-171.5	0.1	108.4	I71 V87	I71-R73 PolarHBondContact O-N 2.84Å; R73-V87 PolarHBondContact O-N 3.04Å; R73-V87 VanDerWaalsContact O-N 3.13Å
74	R	63.1	Low	60.1	Low	127 Å²	127	120 Å²	120	48%	0.479	59%	0.589	S	S	.	*			trans	-104.6	-2.7	177.7	-69.3	-175.8	173.9	175.3	-1.4	113.5	M72 L84	M72-R74 HydrophobicContact CB-CG 4.49Å; M72-R74 PolarHBondContact O-N 3.49Å; R74-L84 CarbonylContact O-C 3.51Å; R74-L84 WeakPolarHBondContact O-CA 3.2Å
75	I	62.8	Low	61.2	Low	101 Å²	101	114.5 Å²	114.5	52%	0.518	56%	0.561	S	S	.	*			trans	-121.5	130	-173.2	-59.2	172.7	0	0	0	108.5	L84	I75-L84 HydrophobicContact CG1-CD2 4.48Å
76	V	66	Low	62.3	Low	52 Å²	52	109.4 Å²	109.4	32%	0.315	54%	0.544	S	S	.	.			trans	-88.1	118.4	167.6	-178.8	0	0	0	0	107.3	E78 D79 V87	V76-E78 PolarHBondContact O-N 3.27Å; V76-D79 HydrophobicContact CB-CB 3.92Å; V76-D79 HydrophobicContact CG1-CB 4.18Å; V76-D79 PolarHBondContact O-N 2.89Å; V76-D79 VanDerWaalsContact O-N 3.1Å; V76-V87 HydrophobicContact CG2-CG2 4.15Å
77	A	68.1	Low	63.4	Low	101 Å²	101	109.7 Å²	109.7	84%	0.835	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-32.2	-170.8	0	0	0	0	0	113
78	E	69.3	Low	64.7	Low	166 Å²	166	106.3 Å²	106.3	78%	0.776	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-0.3	178.3	-51.9	99.2	174.2	0	0	114.5	V76 P80	V76-E78 PolarHBondContact O-N 3.27Å; E78-P80 WeakPolarHBondContact O-CD 2.91Å
79	D	69.2	Low	66.4	Low	39 Å²	39	106.5 Å²	106.5	21%	0.209	53%	0.525	C	S	.	.			trans	-95.1	106.4	-177.6	-174.6	8.2	0	0	0	112.4	V76 N81 Y82 N83	V76-D79 HydrophobicContact CB-CB 3.92Å; V76-D79 HydrophobicContact CG1-CB 4.18Å; V76-D79 PolarHBondContact O-N 2.89Å; V76-D79 VanDerWaalsContact O-N 3.1Å; D79-N81 PolarHBondContact O-N 3.43Å; D79-N81 VanDerWaalsContact O-N 3.16Å; D79-N81 WeakPolarHBondContact OD1-CB 3.49Å; D79-N81 PolarHBondContact OD1-N 3.43Å; D79-N81 PolarHBondContact OD1-ND2 3.23Å; D79-Y82 PolarHBondContact O-N 3.45Å; D79-N83 WeakPolarHBondContact OD2-CB 3.21Å
80	P	71.6	Confident	68	Low	107 Å²	107	105.2 Å²	105.2	70%	0.695	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-13.9	177.9	28.8	-35.4	0	0	0	113.4	E78 Y82	E78-P80 WeakPolarHBondContact O-CD 2.91Å; P80-Y82 WeakPolarHBondContact O-CD2 3.47Å; P80-Y82 PolarHBondContact O-N 3.01Å
81	N	76.1	Confident	69.6	Low	114 Å²	114	97.6 Å²	97.6	61%	0.61	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	1.3	178.4	-58.2	-72.2	0	0	0	113.5	D79 N83	D79-N81 PolarHBondContact O-N 3.43Å; D79-N81 VanDerWaalsContact O-N 3.16Å; D79-N81 WeakPolarHBondContact OD1-CB 3.49Å; D79-N81 PolarHBondContact OD1-N 3.43Å; D79-N81 PolarHBondContact OD1-ND2 3.23Å; N81-N83 VanDerWaalsContact C-N 3.25Å; N81-N83 PolarHBondContact O-N 3.13Å
82	Y	65.6	Low	71.2	Confident	178 Å²	178	93.2 Å²	93.2	70%	0.698	49%	0.485	S	S	*	.			trans	51.9	43	-177.8	-64.4	-91.4	0	0	0	112.6	D79 P80 L84	D79-Y82 PolarHBondContact O-N 3.45Å; P80-Y82 WeakPolarHBondContact O-CD2 3.47Å; P80-Y82 PolarHBondContact O-N 3.01Å; Y82-L84 PolarHBondContact O-N 3.15Å; Y82-L84 VanDerWaalsContact O-N 3.1Å
83	N	68.8	Low	72.6	Confident	68 Å²	68	95.4 Å²	95.4	36%	0.364	50%	0.498	S	S	.	.			trans	-60.5	119.5	179.4	-174.5	-2.4	0	0	0	110.4	D79 N81 T85	D79-N83 WeakPolarHBondContact OD2-CB 3.21Å; N81-N83 VanDerWaalsContact C-N 3.25Å; N81-N83 PolarHBondContact O-N 3.13Å; N83-T85 VanDerWaalsContact C-N 3.27Å; N83-T85 VanDerWaalsContact CG-OG1 3.23Å; N83-T85 PolarHBondContact ND2-OG1 3.17Å; N83-T85 PolarHBondContact O-N 3.08Å; N83-T85 WeakPolarHBondContact OD1-CG2 3.44Å; N83-T85 PolarHBondContact OD1-N 3.18Å; N83-T85 VanDerWaalsContact OD1-N 3.07Å; N83-T85 PolarHBondContact OD1-OG1 3.47Å; N83-T85 VanDerWaalsContact OD1-OG1 3.08Å
84	L	68	Low	74.1	Confident	122 Å²	122	88.7 Å²	88.7	64%	0.639	48%	0.481	S	S	*	.			trans	-86.2	10.8	-176.8	-65.6	175.6	0	0	0	113.4	R74 I75 Y82	R74-L84 CarbonylContact O-C 3.51Å; R74-L84 WeakPolarHBondContact O-CA 3.2Å; I75-L84 HydrophobicContact CG1-CD2 4.48Å; Y82-L84 PolarHBondContact O-N 3.15Å; Y82-L84 VanDerWaalsContact O-N 3.1Å
85	T	68.8	Low	75.4	Confident	44 Å²	44	83.2 Å²	83.2	27%	0.27	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-58.3	137.4	175.5	44.5	0	0	0	0	110.8	N83 V87	N83-T85 VanDerWaalsContact C-N 3.27Å; N83-T85 VanDerWaalsContact CG-OG1 3.23Å; N83-T85 PolarHBondContact ND2-OG1 3.17Å; N83-T85 PolarHBondContact O-N 3.08Å; N83-T85 WeakPolarHBondContact OD1-CG2 3.44Å; N83-T85 PolarHBondContact OD1-N 3.18Å; N83-T85 VanDerWaalsContact OD1-N 3.07Å; N83-T85 PolarHBondContact OD1-OG1 3.47Å; N83-T85 VanDerWaalsContact OD1-OG1 3.08Å; T85-V87 PolarHBondContact O-N 3.01Å
86	I	69.9	Low	76.7	Confident	56 Å²	56	84.1 Å²	84.1	29%	0.287	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-62.6	122.6	175.9	-61.1	166	0	0	0	108	M72 P88	M72-I86 HydrophobicContact CE-CD1 3.89Å; M72-I86 HydrophobicContact CE-CG2 4.33Å; M72-I86 HydrophobicContact CG-CG2 4.21Å; M72-I86 HydrophobicContact SD-CD1 3.65Å; M72-I86 HydrophobicContact SD-CG1 3.87Å; M72-I86 HydrophobicContact SD-CG2 4.06Å; I86-P88 WeakPolarHBondContact O-CD 3.36Å
87	V	71.6	Confident	77.9	Confident	61 Å²	61	86.9 Å²	86.9	37%	0.37	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-74.4	121.9	174.9	-177.5	0	0	0	0	107.8	R73 V76 T85	R73-V87 PolarHBondContact O-N 3.04Å; R73-V87 VanDerWaalsContact O-N 3.13Å; V76-V87 HydrophobicContact CG2-CG2 4.15Å; T85-V87 PolarHBondContact O-N 3.01Å
88	P	76.6	Confident	79	Confident	57 Å²	57	83.2 Å²	83.2	37%	0.37	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-61.2	148.4	178	25.7	-33.8	0	0	0	110.3	I86 D92 L93	I86-P88 WeakPolarHBondContact O-CD 3.36Å; P88-D92 HydrophobicContact CB-CB 4.08Å; P88-L93 HydrophobicContact CB-CD2 4.2Å; P88-L93 HydrophobicContact CB-CG 4.17Å; P88-L93 HydrophobicContact CG-CD1 4.31Å; P88-L93 HydrophobicContact CG-CD2 3.58Å; P88-L93 HydrophobicContact CG-CG 3.87Å
89	T	83.9	Confident	80	Confident	70 Å²	70	76.9 Å²	76.9	43%	0.429	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-68.2	158.9	176.2	68.9	0	0	0	0	110.1	V91 D92 L93	T89-V91 PolarHBondContact O-N 3.42Å; T89-V91 PolarHBondContact OG1-N 3.39Å; T89-D92 WeakPolarHBondContact CB-OD2 3.32Å; T89-D92 PolarHBondContact N-OD2 3.25Å; T89-D92 PolarHBondContact O-N 3.44Å; T89-D92 PolarHBondContact OG1-N 3.42Å; T89-D92 VanDerWaalsContact OG1-N 3.13Å; T89-D92 PolarHBondContact OG1-OD2 3.28Å; T89-L93 PolarHBondContact O-N 2.88Å
90	L	85.4	Confident	81	Confident	133 Å²	133	80.5 Å²	80.5	70%	0.696	43%	0.426	S	S	*	.	H	α-helix	trans	-54.9	-34.7	172.3	-179.8	61.1	0	0	0	111.1	L93 C94	L90-L93 PolarHBondContact O-N 3.07Å; L90-C94 WeakPolarHBondContact O-CB 3.5Å; L90-C94 PolarHBondContact O-N 3.48Å; L90-C94 PolarHBondContact O-SG 3.27Å
91	V	87.6	Confident	82	Confident	65 Å²	65	78.1 Å²	78.1	39%	0.394	41%	0.408	S	S	.	.	H	α-helix	trans	-62.7	-47.9	175.8	179.7	0	0	0	0	110.9	T89 L93 C94 L95 Q116	T89-V91 PolarHBondContact O-N 3.42Å; T89-V91 PolarHBondContact OG1-N 3.39Å; V91-L93 VanDerWaalsContact C-N 3.33Å; V91-L93 PolarHBondContact O-N 3.29Å; V91-C94 PolarHBondContact O-N 3.41Å; V91-L95 HydrophobicContact CG1-CD1 4.03Å; V91-L95 HydrophobicContact CG1-CG 4.3Å; V91-L95 WeakPolarHBondContact O-CB 3.43Å; V91-L95 WeakPolarHBondContact O-CG 3.34Å; V91-L95 PolarHBondContact O-N 2.95Å; V91-Q116 HydrophobicContact CG1-CG 4.45Å
92	D	85.7	Confident	82.8	Confident	47 Å²	47	72.9 Å²	72.9	25%	0.251	38%	0.379	S	S	.	.	H	α-helix	trans	-63	-40.4	179.6	-56.1	-44.1	0	0	0	111.6	P88 T89 L95 K96	P88-D92 HydrophobicContact CB-CB 4.08Å; T89-D92 WeakPolarHBondContact CB-OD2 3.32Å; T89-D92 PolarHBondContact N-OD2 3.25Å; T89-D92 PolarHBondContact O-N 3.44Å; T89-D92 PolarHBondContact OG1-N 3.42Å; T89-D92 VanDerWaalsContact OG1-N 3.13Å; T89-D92 PolarHBondContact OG1-OD2 3.28Å; D92-L95 PolarHBondContact O-N 3.09Å; D92-K96 WeakPolarHBondContact O-CB 3.39Å; D92-K96 PolarHBondContact O-N 3.05Å
93	L	87.2	Confident	83.9	Confident	89 Å²	89	68.3 Å²	68.3	47%	0.466	36%	0.364	S	S	.	.	H	α-helix	trans	-63.8	-45.3	175.1	-69.5	175.5	0	0	0	111.8	P88 T89 L90 V91 K96 Q97	P88-L93 HydrophobicContact CB-CD2 4.2Å; P88-L93 HydrophobicContact CB-CG 4.17Å; P88-L93 HydrophobicContact CG-CD1 4.31Å; P88-L93 HydrophobicContact CG-CD2 3.58Å; P88-L93 HydrophobicContact CG-CG 3.87Å; T89-L93 PolarHBondContact O-N 2.88Å; L90-L93 PolarHBondContact O-N 3.07Å; V91-L93 VanDerWaalsContact C-N 3.33Å; V91-L93 PolarHBondContact O-N 3.29Å; L93-K96 PolarHBondContact O-N 2.86Å; L93-Q97 PolarHBondContact O-N 3.15Å
94	C	90.4	Very high	85	Confident	65 Å²	65	74.2 Å²	74.2	44%	0.439	38%	0.383	S	S	.	.	H	α-helix	trans	-63.9	-43.5	177	-72.5	0	0	0	0	111.8	L90 V91 Q97 C98	L90-C94 WeakPolarHBondContact O-CB 3.5Å; L90-C94 PolarHBondContact O-N 3.48Å; L90-C94 PolarHBondContact O-SG 3.27Å; V91-C94 PolarHBondContact O-N 3.41Å; C94-Q97 PolarHBondContact O-N 3.35Å; C94-C98 PolarHBondContact O-N 3.41Å; C94-C98 PolarHBondContact O-SG 2.65Å
95	L	90.2	Very high	86.1	Confident	12 Å²	12	72 Å²	72	6%	0.063	37%	0.371	C	S	.	.	H	α-helix	trans	-63.2	-43.4	177.4	-73.6	177.6	0	0	0	111.4	V91 D92 Q97 C98 I99 L112 Q116 Q119	V91-L95 HydrophobicContact CG1-CD1 4.03Å; V91-L95 HydrophobicContact CG1-CG 4.3Å; V91-L95 WeakPolarHBondContact O-CB 3.43Å; V91-L95 WeakPolarHBondContact O-CG 3.34Å; V91-L95 PolarHBondContact O-N 2.95Å; D92-L95 PolarHBondContact O-N 3.09Å; L95-Q97 VanDerWaalsContact C-N 3.33Å; L95-Q97 PolarHBondContact O-N 3.12Å; L95-C98 WeakPolarHBondContact O-CB 3.39Å; L95-C98 PolarHBondContact O-N 3.13Å; L95-C98 VanDerWaalsContact O-N 3.14Å; L95-I99 WeakPolarHBondContact O-CD1 3.3Å; L95-I99 VanDerWaalsContact O-CG1 3.3Å; L95-I99 WeakPolarHBondContact O-CG1 3.16Å; L95-I99 PolarHBondContact O-N 3.26Å; L95-L112 HydrophobicContact CD2-CD1 3.84Å; L95-L112 HydrophobicContact CD2-CD2 4.06Å; L95-Q116 HydrophobicContact CD1-CG 4.35Å; L95-Q116 HydrophobicContact CD2-CB 4.17Å; L95-Q119 HydrophobicContact CD1-CB 4.37Å
96	K	90.4	Very high	87.1	Confident	121 Å²	121	71 Å²	71	53%	0.526	37%	0.366	S	S	.	.	H	α-helix	trans	-56.9	-47.7	174.5	-177.9	179.9	172.3	-176.8	0	111.3	D92 L93 C98 I99 E100	D92-K96 WeakPolarHBondContact O-CB 3.39Å; D92-K96 PolarHBondContact O-N 3.05Å; L93-K96 PolarHBondContact O-N 2.86Å; K96-C98 VanDerWaalsContact C-N 3.31Å; K96-C98 PolarHBondContact O-N 3.47Å; K96-I99 PolarHBondContact O-N 2.89Å; K96-E100 WeakPolarHBondContact CE-OE1 3.44Å; K96-E100 IonicContact NZ-OE1 2.74Å; K96-E100 WeakPolarHBondContact O-CG 3.44Å; K96-E100 PolarHBondContact O-N 2.95Å
97	Q	92	Very high	87.9	Confident	109 Å²	109	73.4 Å²	73.4	51%	0.509	38%	0.378	S	S	.	.	H	α-helix	trans	-62.9	-38.5	177	-167.2	67.8	22.6	0	0	111.9	L93 C94 L95 I99 E100 N101	L93-Q97 PolarHBondContact O-N 3.15Å; C94-Q97 PolarHBondContact O-N 3.35Å; L95-Q97 VanDerWaalsContact C-N 3.33Å; L95-Q97 PolarHBondContact O-N 3.12Å; Q97-I99 VanDerWaalsContact C-N 3.34Å; Q97-E100 PolarHBondContact O-N 3.08Å; Q97-N101 PolarHBondContact NE2-ND2 2.99Å; Q97-N101 WeakPolarHBondContact O-CB 3.42Å; Q97-N101 PolarHBondContact O-N 3.4Å; Q97-N101 PolarHBondContact O-ND2 3.2Å
98	C	90.1	Very high	88.6	Confident	24 Å²	24	72.3 Å²	72.3	16%	0.162	37%	0.373	C	S	.	.	H	α-helix	trans	-63.2	-39.3	175.7	-67.8	0	0	0	0	111.9	C94 L95 K96 F102 L120	C94-C98 PolarHBondContact O-N 3.41Å; C94-C98 PolarHBondContact O-SG 2.65Å; L95-C98 WeakPolarHBondContact O-CB 3.39Å; L95-C98 PolarHBondContact O-N 3.13Å; L95-C98 VanDerWaalsContact O-N 3.14Å; K96-C98 VanDerWaalsContact C-N 3.31Å; K96-C98 PolarHBondContact O-N 3.47Å; C98-F102 VanDerWaalsContact O-CA 3.31Å; C98-F102 WeakPolarHBondContact O-CA 3.34Å; C98-F102 WeakPolarHBondContact O-CB 3.31Å; C98-F102 PolarHBondContact O-N 2.91Å; C98-L120 HydrophobicContact CB-CD1 3.8Å
99	I	90.9	Very high	89.1	Confident	34 Å²	34	70.5 Å²	70.5	17%	0.174	36%	0.359	C	S	.	.	H	α-helix	trans	-65.8	-49.5	176.8	-68	156.6	0	0	0	110.4	L95 K96 Q97 N101 F102 L120 C123 L124	L95-I99 WeakPolarHBondContact O-CD1 3.3Å; L95-I99 VanDerWaalsContact O-CG1 3.3Å; L95-I99 WeakPolarHBondContact O-CG1 3.16Å; L95-I99 PolarHBondContact O-N 3.26Å; K96-I99 PolarHBondContact O-N 2.89Å; Q97-I99 VanDerWaalsContact C-N 3.34Å; I99-N101 VanDerWaalsContact C-N 3.25Å; I99-N101 PolarHBondContact O-N 3.23Å; I99-F102 PolarHBondContact O-N 3.49Å; I99-L120 HydrophobicContact CG1-CD1 4.48Å; I99-L120 HydrophobicContact CG1-CG 3.95Å; I99-C123 HydrophobicContact CD1-CB 3.56Å; I99-C123 HydrophobicContact CG1-CB 4.34Å; I99-L124 HydrophobicContact CG1-CD2 4.47Å; I99-L124 HydrophobicContact CG2-CD2 4.34Å
100	E	90.9	Very high	89.3	Confident	115 Å²	115	72.2 Å²	72.2	54%	0.537	36%	0.363	S	S	.	.	H	α-helix	trans	-64.6	-29	-177.6	-71.8	176	-175.5	0	0	112.9	K96 Q97	K96-E100 WeakPolarHBondContact CE-OE1 3.44Å; K96-E100 IonicContact NZ-OE1 2.74Å; K96-E100 WeakPolarHBondContact O-CG 3.44Å; K96-E100 PolarHBondContact O-N 2.95Å; Q97-E100 PolarHBondContact O-N 3.08Å
101	N	91.8	Very high	89.5	Confident	57 Å²	57	74.9 Å²	74.9	31%	0.305	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	12.1	-178.2	-63	-92.3	0	0	0	113.2	Q97 I99 E103 Y104 N105	Q97-N101 PolarHBondContact NE2-ND2 2.99Å; Q97-N101 WeakPolarHBondContact O-CB 3.42Å; Q97-N101 PolarHBondContact O-N 3.4Å; Q97-N101 PolarHBondContact O-ND2 3.2Å; I99-N101 VanDerWaalsContact C-N 3.25Å; I99-N101 PolarHBondContact O-N 3.23Å; N101-E103 PolarHBondContact O-N 3.16Å; N101-Y104 PolarHBondContact O-N 3.11Å; N101-N105 PolarHBondContact O-N 3.47Å
102	F	92.4	Very high	89.6	Confident	3 Å²	3	73.2 Å²	73.2	1%	0.013	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-38.7	-173.2	-169.9	-90.9	0	0	0	112.4	C98 I99 Y104 N105 P106 F109 L120 L124 L128 V132 I136 I137	C98-F102 VanDerWaalsContact O-CA 3.31Å; C98-F102 WeakPolarHBondContact O-CA 3.34Å; C98-F102 WeakPolarHBondContact O-CB 3.31Å; C98-F102 PolarHBondContact O-N 2.91Å; I99-F102 PolarHBondContact O-N 3.49Å; F102-Y104 VanDerWaalsContact C-N 3.32Å; F102-Y104 PolarHBondContact O-N 3.44Å; F102-N105 CarbonylContact O-C 3.38Å; F102-P106 HydrophobicContact CD1-CB 4.47Å; F102-P106 HydrophobicContact CE1-CB 4.18Å; F102-P106 HydrophobicContact CE2-CB 4.3Å; F102-P106 HydrophobicContact CZ-CB 4.1Å; F102-P106 WeakPolarHBondContact O-CD 3.38Å; F102-F109 HydrophobicContact CE2-CB 3.88Å; F102-F109 HydrophobicContact CE2-CD2 4.26Å; F102-F109 HydrophobicContact CE2-CG 4.02Å; F102-F109 HydrophobicContact CZ-CG 4.46Å; F102-L120 HydrophobicContact CD2-CD2 4.01Å; F102-L120 HydrophobicContact CE2-CD2 3.84Å; F102-L124 HydrophobicContact CB-CD2 3.78Å; F102-L124 HydrophobicContact CD1-CD1 4.28Å; F102-L124 HydrophobicContact CD1-CD2 4.17Å; F102-L124 HydrophobicContact CD2-CD1 4.24Å; F102-L124 HydrophobicContact CD2-CD2 3.79Å; F102-L124 HydrophobicContact CE1-CD1 4.09Å; F102-L124 HydrophobicContact CE2-CD1 4.03Å; F102-L124 HydrophobicContact CE2-CD2 4.4Å; F102-L124 HydrophobicContact CG-CD1 4.35Å; F102-L124 HydrophobicContact CG-CD2 3.64Å; F102-L124 HydrophobicContact CZ-CD1 3.96Å; F102-L128 HydrophobicContact CD1-CD1 3.85Å; F102-L128 HydrophobicContact CE1-CD1 4.4Å; F102-V132 HydrophobicContact CD1-CG1 4.21Å; F102-V132 HydrophobicContact CE1-CG1 4.01Å; F102-I136 HydrophobicContact CZ-CG2 4.01Å; F102-I137 HydrophobicContact CE1-CD1 3.89Å; F102-I137 HydrophobicContact CE1-CG1 4.45Å; F102-I137 HydrophobicContact CZ-CD1 3.89Å; F102-I137 HydrophobicContact CZ-CG1 4.14Å
103	E	90.2	Very high	89.9	Confident	83 Å²	83	74.9 Å²	74.9	39%	0.388	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-35.4	179	-173.1	165.5	-158.5	0	0	113	N101 L128 S129 V132	N101-E103 PolarHBondContact O-N 3.16Å; E103-L128 HydrophobicContact CB-CD2 4.12Å; E103-S129 WeakPolarHBondContact OE1-CB 3.37Å; E103-V132 HydrophobicContact CG-CG2 4.34Å; E103-V132 WeakPolarHBondContact O-CG2 3.26Å
104	Y	91.5	Very high	90.1	Very high	192 Å²	192	77 Å²	77	75%	0.753	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-29.4	-179.5	-58.8	-77.8	0	0	0	112.5	N101 F102	N101-Y104 PolarHBondContact O-N 3.11Å; F102-Y104 VanDerWaalsContact C-N 3.32Å; F102-Y104 PolarHBondContact O-N 3.44Å
105	N	91.1	Very high	90.1	Very high	74 Å²	74	81 Å²	81	40%	0.396	38%	0.381	S	S	.	.			trans	-146.4	81.6	-175.9	-174.6	17.2	0	0	0	111.7	N101 F102 I107 P108	N101-N105 PolarHBondContact O-N 3.47Å; F102-N105 CarbonylContact O-C 3.38Å; N105-I107 PolarHBondContact O-N 2.97Å; N105-I107 WeakPolarHBondContact OD1-CB 3.41Å; N105-I107 WeakPolarHBondContact OD1-CG1 3.45Å; N105-I107 PolarHBondContact OD1-N 3.34Å; N105-P108 VanDerWaalsContact O-CD 3.32Å; N105-P108 WeakPolarHBondContact O-CD 3.3Å
106	P	88.5	Confident	90.2	Very high	25 Å²	25	82.4 Å²	82.4	16%	0.162	39%	0.387	C	S	.	.			trans	-80.9	-4.6	177.4	35	-38.7	0	0	0	113	F102 P108 F109 V132 I136	F102-P106 HydrophobicContact CD1-CB 4.47Å; F102-P106 HydrophobicContact CE1-CB 4.18Å; F102-P106 HydrophobicContact CE2-CB 4.3Å; F102-P106 HydrophobicContact CZ-CB 4.1Å; F102-P106 WeakPolarHBondContact O-CD 3.38Å; P106-P108 VanDerWaalsContact C-CD 3.41Å; P106-F109 WeakPolarHBondContact O-CB 3.16Å; P106-F109 PolarHBondContact O-N 3.34Å; P106-F109 VanDerWaalsContact O-N 3.12Å; P106-V132 HydrophobicContact CB-CG1 3.9Å; P106-V132 HydrophobicContact CG-CG1 3.93Å; P106-I136 HydrophobicContact CB-CD1 3.47Å; P106-I136 VanDerWaalsContact CB-CD1 3.47Å; P106-I136 HydrophobicContact CG-CD1 3.41Å; P106-I136 VanDerWaalsContact CG-CD1 3.41Å
107	I	87	Confident	90.2	Very high	105 Å²	105	78.9 Å²	78.9	54%	0.538	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-53.9	-43.7	-174.2	-59.5	171.7	0	0	0	113.2	N105 F109 M110 Y111	N105-I107 PolarHBondContact O-N 2.97Å; N105-I107 WeakPolarHBondContact OD1-CB 3.41Å; N105-I107 WeakPolarHBondContact OD1-CG1 3.45Å; N105-I107 PolarHBondContact OD1-N 3.34Å; I107-F109 PolarHBondContact O-N 3.42Å; I107-F109 VanDerWaalsContact O-N 3.08Å; I107-M110 PolarHBondContact O-N 3.28Å; I107-M110 VanDerWaalsContact O-N 3.15Å; I107-Y111 HydrophobicContact CG2-CD2 4.43Å; I107-Y111 HydrophobicContact CG2-CE2 3.75Å; I107-Y111 WeakPolarHBondContact O-CD2 3.36Å
108	P	86.1	Confident	90.2	Very high	39 Å²	39	77.2 Å²	77.2	25%	0.253	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-56.5	-30	-179	-26.8	36.7	0	0	0	113.6	N105 P106 M110 Y111 L112	N105-P108 VanDerWaalsContact O-CD 3.32Å; N105-P108 WeakPolarHBondContact O-CD 3.3Å; P106-P108 VanDerWaalsContact C-CD 3.41Å; P108-M110 PolarHBondContact O-N 3.06Å; P108-M110 VanDerWaalsContact O-N 3.15Å; P108-Y111 PolarHBondContact O-N 3.19Å; P108-L112 WeakPolarHBondContact O-CG 3.44Å; P108-L112 PolarHBondContact O-N 3.23Å
109	F	88.2	Confident	90.2	Very high	18 Å²	18	80 Å²	80	8%	0.079	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-54.9	-34.3	-179.8	-175.9	-114.8	0	0	0	113.2	F102 P106 I107 Y111 K117 L120 L121 I136	F102-F109 HydrophobicContact CE2-CB 3.88Å; F102-F109 HydrophobicContact CE2-CD2 4.26Å; F102-F109 HydrophobicContact CE2-CG 4.02Å; F102-F109 HydrophobicContact CZ-CG 4.46Å; P106-F109 WeakPolarHBondContact O-CB 3.16Å; P106-F109 PolarHBondContact O-N 3.34Å; P106-F109 VanDerWaalsContact O-N 3.12Å; I107-F109 PolarHBondContact O-N 3.42Å; I107-F109 VanDerWaalsContact O-N 3.08Å; F109-Y111 VanDerWaalsContact C-N 3.25Å; F109-Y111 PolarHBondContact O-N 3.32Å; F109-K117 HydrophobicContact CD2-CG 4.36Å; F109-K117 HydrophobicContact CE2-CB 4.08Å; F109-K117 HydrophobicContact CE2-CD 4.47Å; F109-K117 HydrophobicContact CE2-CG 3.97Å; F109-K117 HydrophobicContact CZ-CG 4.49Å; F109-L120 HydrophobicContact CD2-CD2 3.73Å; F109-L120 HydrophobicContact CE2-CD2 4.06Å; F109-L121 HydrophobicContact CE2-CD1 4.07Å; F109-L121 HydrophobicContact CE2-CD2 3.9Å; F109-L121 HydrophobicContact CE2-CG 3.78Å; F109-L121 HydrophobicContact CZ-CD1 4Å; F109-L121 HydrophobicContact CZ-CD2 3.82Å; F109-L121 HydrophobicContact CZ-CG 4.02Å; F109-I136 HydrophobicContact CD1-CG2 3.66Å; F109-I136 HydrophobicContact CE1-CG2 4.1Å
110	M	87.6	Confident	90.3	Very high	106 Å²	106	78.3 Å²	78.3	52%	0.522	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-70	-20.9	-179.6	-62.3	-59.2	151.5	0	0	113.5	I107 P108 I136	I107-M110 PolarHBondContact O-N 3.28Å; I107-M110 VanDerWaalsContact O-N 3.15Å; P108-M110 PolarHBondContact O-N 3.06Å; P108-M110 VanDerWaalsContact O-N 3.15Å; M110-I136 HydrophobicContact CE-CB 4.29Å; M110-I136 HydrophobicContact CE-CG1 4.36Å; M110-I136 HydrophobicContact CE-CG2 3.6Å
111	Y	89.8	Confident	90.4	Very high	189 Å²	189	73.2 Å²	73.2	74%	0.741	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-106.3	-2.9	-175	-57.7	-77.1	0	0	0	113.5	I107 P108 F109	I107-Y111 HydrophobicContact CG2-CD2 4.43Å; I107-Y111 HydrophobicContact CG2-CE2 3.75Å; I107-Y111 WeakPolarHBondContact O-CD2 3.36Å; P108-Y111 PolarHBondContact O-N 3.19Å; F109-Y111 VanDerWaalsContact C-N 3.25Å; F109-Y111 PolarHBondContact O-N 3.32Å
112	L	90.1	Very high	90.4	Very high	30 Å²	30	74.2 Å²	74.2	16%	0.157	34%	0.344	C	S	.	.	S	Bend	trans	-74.6	148.8	177.8	-65.1	-178.5	0	0	0	111.4	L95 P108 Q116 K117 L120	L95-L112 HydrophobicContact CD2-CD1 3.84Å; L95-L112 HydrophobicContact CD2-CD2 4.06Å; P108-L112 WeakPolarHBondContact O-CG 3.44Å; P108-L112 PolarHBondContact O-N 3.23Å; L112-Q116 HydrophobicContact CB-CB 3.9Å; L112-Q116 HydrophobicContact CD1-CB 4.3Å; L112-Q116 HydrophobicContact CD2-CB 4.15Å; L112-Q116 HydrophobicContact CG-CB 4.32Å; L112-K117 HydrophobicContact CB-CG 3.78Å; L112-K117 VanDerWaalsContact O-CE 3.24Å; L112-K117 WeakPolarHBondContact O-CE 3.46Å; L112-L120 HydrophobicContact CD1-CB 4.3Å; L112-L120 HydrophobicContact CD1-CD1 3.65Å
113	N	91.9	Very high	90.4	Very high	83 Å²	83	78.1 Å²	78.1	44%	0.444	37%	0.371	S	S	.	.			trans	-74.2	165.7	167.6	67.6	46.4	0	0	0	111.3	K115 Q116 K117	N113-K115 VanDerWaalsContact C-N 3.29Å; N113-K115 PolarHBondContact O-N 3.32Å; N113-K115 PolarHBondContact OD1-N 3.44Å; N113-Q116 VanDerWaalsContact ND2-CD 3.31Å; N113-Q116 PolarHBondContact ND2-OE1 2.6Å; N113-Q116 WeakPolarHBondContact O-CB 3.45Å; N113-Q116 PolarHBondContact O-N 3.46Å; N113-Q116 WeakPolarHBondContact OD1-CB 3.33Å; N113-Q116 VanDerWaalsContact OD1-CG 3.31Å; N113-Q116 WeakPolarHBondContact OD1-CG 3.31Å; N113-Q116 PolarHBondContact OD1-N 3.36Å; N113-K117 WeakPolarHBondContact O-CG 3.35Å; N113-K117 PolarHBondContact O-N 3.15Å
114	E	90.9	Very high	90.6	Very high	134 Å²	134	74.1 Å²	74.1	63%	0.626	35%	0.352	S	S	*	.	H	α-helix	trans	-58.9	-35.9	-174.5	-66.1	-52.5	126.4	0	0	114	K117 R118	E114-K117 PolarHBondContact O-N 2.99Å; E114-K117 IonicContact OE1-NZ 3.89Å; E114-K117 PolarHBondContact OE1-NZ 3.06Å; E114-R118 WeakPolarHBondContact O-CB 3.43Å; E114-R118 PolarHBondContact O-N 3.19Å
115	K	90.6	Very high	90.7	Very high	149 Å²	149	67.5 Å²	67.5	65%	0.648	33%	0.333	S	S	*	.	H	α-helix	trans	-65.1	-44.4	176.2	-174.2	179.9	179.1	-178.7	0	111.3	N113 R118 Q119	N113-K115 VanDerWaalsContact C-N 3.29Å; N113-K115 PolarHBondContact O-N 3.32Å; N113-K115 PolarHBondContact OD1-N 3.44Å; K115-R118 PolarHBondContact O-N 2.69Å; K115-Q119 WeakPolarHBondContact O-CG 3.39Å; K115-Q119 PolarHBondContact O-N 2.95Å
116	Q	91.7	Very high	90.8	Very high	40 Å²	40	66 Å²	66	19%	0.187	33%	0.327	C	S	.	.	H	α-helix	trans	-68.1	-39.6	177.7	-73.1	168.8	-19.2	0	0	111.8	V91 L95 L112 N113 Q119 L120	V91-Q116 HydrophobicContact CG1-CG 4.45Å; L95-Q116 HydrophobicContact CD1-CG 4.35Å; L95-Q116 HydrophobicContact CD2-CB 4.17Å; L112-Q116 HydrophobicContact CB-CB 3.9Å; L112-Q116 HydrophobicContact CD1-CB 4.3Å; L112-Q116 HydrophobicContact CD2-CB 4.15Å; L112-Q116 HydrophobicContact CG-CB 4.32Å; N113-Q116 VanDerWaalsContact ND2-CD 3.31Å; N113-Q116 PolarHBondContact ND2-OE1 2.6Å; N113-Q116 WeakPolarHBondContact O-CB 3.45Å; N113-Q116 PolarHBondContact O-N 3.46Å; N113-Q116 WeakPolarHBondContact OD1-CB 3.33Å; N113-Q116 VanDerWaalsContact OD1-CG 3.31Å; N113-Q116 WeakPolarHBondContact OD1-CG 3.31Å; N113-Q116 PolarHBondContact OD1-N 3.36Å; Q116-Q119 PolarHBondContact O-N 2.92Å; Q116-L120 WeakPolarHBondContact O-CB 3.12Å; Q116-L120 PolarHBondContact O-N 3.47Å
117	K	91.9	Very high	90.9	Very high	48 Å²	48	71.4 Å²	71.4	21%	0.209	35%	0.354	C	S	.	.	H	α-helix	trans	-59.2	-47.8	173.6	-73.2	-177.7	-173.8	163.2	0	111.1	F109 L112 N113 E114 Q119 L120 L121	F109-K117 HydrophobicContact CD2-CG 4.36Å; F109-K117 HydrophobicContact CE2-CB 4.08Å; F109-K117 HydrophobicContact CE2-CD 4.47Å; F109-K117 HydrophobicContact CE2-CG 3.97Å; F109-K117 HydrophobicContact CZ-CG 4.49Å; L112-K117 HydrophobicContact CB-CG 3.78Å; L112-K117 VanDerWaalsContact O-CE 3.24Å; L112-K117 WeakPolarHBondContact O-CE 3.46Å; N113-K117 WeakPolarHBondContact O-CG 3.35Å; N113-K117 PolarHBondContact O-N 3.15Å; E114-K117 PolarHBondContact O-N 2.99Å; E114-K117 IonicContact OE1-NZ 3.89Å; E114-K117 PolarHBondContact OE1-NZ 3.06Å; K117-Q119 PolarHBondContact O-N 3.33Å; K117-L120 PolarHBondContact O-N 3.43Å; K117-L121 HydrophobicContact CB-CD1 4.49Å; K117-L121 VanDerWaalsContact O-CB 3.29Å; K117-L121 WeakPolarHBondContact O-CB 3.37Å; K117-L121 WeakPolarHBondContact O-CD1 3.26Å; K117-L121 WeakPolarHBondContact O-CG 3.42Å; K117-L121 PolarHBondContact O-N 3.3Å
118	R	91.9	Very high	91.1	Very high	74 Å²	74	67.2 Å²	67.2	28%	0.279	33%	0.332	S	S	.	.	H	α-helix	trans	-57.7	-50	176.4	-175.1	71.5	-94.8	149	2.2	111.4	E114 K115 L120 L121 D122 D139	E114-R118 WeakPolarHBondContact O-CB 3.43Å; E114-R118 PolarHBondContact O-N 3.19Å; K115-R118 PolarHBondContact O-N 2.69Å; R118-L120 VanDerWaalsContact C-N 3.31Å; R118-L120 PolarHBondContact O-N 3.07Å; R118-L121 PolarHBondContact O-N 3.06Å; R118-D122 IonicContact CZ-OD1 2.88Å; R118-D122 VanDerWaalsContact NE-CG 3.3Å; R118-D122 IonicContact NE-OD1 3.7Å; R118-D122 PolarHBondContact NE-OD1 2.8Å; R118-D122 IonicContact NE-OD2 2.88Å; R118-D122 PolarHBondContact NE-OD2 3.25Å; R118-D122 VanDerWaalsContact NE-OD2 3.15Å; R118-D122 IonicContact NH2-OD1 3.67Å; R118-D122 PolarHBondContact NH2-OD1 2.76Å; R118-D122 WeakPolarHBondContact O-CB 3.5Å; R118-D122 VanDerWaalsContact O-CG 3.22Å; R118-D122 PolarHBondContact O-N 3.39Å; R118-D139 IonicContact CZ-OD1 3.02Å; R118-D139 IonicContact CZ-OD2 3.63Å; R118-D139 IonicContact NH1-OD1 3.61Å; R118-D139 PolarHBondContact NH1-OD1 2.83Å; R118-D139 IonicContact NH1-OD2 3.73Å; R118-D139 PolarHBondContact NH1-OD2 3.02Å; R118-D139 IonicContact NH2-OD2 3.71Å; R118-D139 PolarHBondContact NH2-OD2 2.98Å
119	Q	89.8	Confident	91.4	Very high	81 Å²	81	67.3 Å²	67.3	38%	0.379	33%	0.334	S	S	.	.	H	α-helix	trans	-57.1	-43.7	177.1	-73.9	179.4	-53.2	0	0	112.3	L95 K115 Q116 K117 C123	L95-Q119 HydrophobicContact CD1-CB 4.37Å; K115-Q119 WeakPolarHBondContact O-CG 3.39Å; K115-Q119 PolarHBondContact O-N 2.95Å; Q116-Q119 PolarHBondContact O-N 2.92Å; K117-Q119 PolarHBondContact O-N 3.33Å; Q119-C123 PolarHBondContact O-N 3.33Å; Q119-C123 PolarHBondContact O-SG 2.89Å
120	L	92.4	Very high	91.6	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-64.8	-51.6	176.8	-175.9	149.6	0	0	0	110.6	C98 I99 F102 F109 L112 Q116 K117 R118 D122 C123 L124	C98-L120 HydrophobicContact CB-CD1 3.8Å; I99-L120 HydrophobicContact CG1-CD1 4.48Å; I99-L120 HydrophobicContact CG1-CG 3.95Å; F102-L120 HydrophobicContact CD2-CD2 4.01Å; F102-L120 HydrophobicContact CE2-CD2 3.84Å; F109-L120 HydrophobicContact CD2-CD2 3.73Å; F109-L120 HydrophobicContact CE2-CD2 4.06Å; L112-L120 HydrophobicContact CD1-CB 4.3Å; L112-L120 HydrophobicContact CD1-CD1 3.65Å; Q116-L120 WeakPolarHBondContact O-CB 3.12Å; Q116-L120 PolarHBondContact O-N 3.47Å; K117-L120 PolarHBondContact O-N 3.43Å; R118-L120 VanDerWaalsContact C-N 3.31Å; R118-L120 PolarHBondContact O-N 3.07Å; L120-D122 VanDerWaalsContact C-N 3.31Å; L120-D122 PolarHBondContact O-N 3.26Å; L120-C123 CarbonylContact O-C 3.31Å; L120-C123 PolarHBondContact O-N 3.36Å; L120-L124 HydrophobicContact CD2-CD1 3.65Å; L120-L124 HydrophobicContact CD2-CD2 3.8Å; L120-L124 HydrophobicContact CD2-CG 3.65Å; L120-L124 HydrophobicContact CG-CD2 4.39Å; L120-L124 HydrophobicContact CG-CG 4.47Å; L120-L124 WeakPolarHBondContact O-CG 3.01Å; L120-L124 PolarHBondContact O-N 3.26Å
121	L	93	Very high	91.7	Very high	8 Å²	8	68.9 Å²	68.9	4%	0.042	34%	0.339	C	S	.	.	H	α-helix	trans	-61.3	-34.3	-177.6	-73.6	165.4	0	0	0	113.2	F109 K117 R118 C123 L124 I137 D139 R145	F109-L121 HydrophobicContact CE2-CD1 4.07Å; F109-L121 HydrophobicContact CE2-CD2 3.9Å; F109-L121 HydrophobicContact CE2-CG 3.78Å; F109-L121 HydrophobicContact CZ-CD1 4Å; F109-L121 HydrophobicContact CZ-CD2 3.82Å; F109-L121 HydrophobicContact CZ-CG 4.02Å; K117-L121 HydrophobicContact CB-CD1 4.49Å; K117-L121 VanDerWaalsContact O-CB 3.29Å; K117-L121 WeakPolarHBondContact O-CB 3.37Å; K117-L121 WeakPolarHBondContact O-CD1 3.26Å; K117-L121 WeakPolarHBondContact O-CG 3.42Å; K117-L121 PolarHBondContact O-N 3.3Å; R118-L121 PolarHBondContact O-N 3.06Å; L121-C123 VanDerWaalsContact C-N 3.31Å; L121-L124 HydrophobicContact CD2-CD1 4.18Å; L121-I137 HydrophobicContact CD2-CD1 4.28Å; L121-I137 HydrophobicContact CD2-CG1 4.34Å; L121-I137 HydrophobicContact CD2-CG2 3.72Å; L121-D139 HydrophobicContact CD1-CB 3.66Å; L121-D139 HydrophobicContact CD2-CB 4.14Å; L121-D139 HydrophobicContact CG-CB 4.46Å; L121-R145 PolarHBondContact O-NH2 2.9Å
122	D	92.5	Very high	91.7	Very high	78 Å²	78	60.8 Å²	60.8	42%	0.417	31%	0.309	S	S	.	.	H	α-helix	trans	-69	-31.5	176	-70.7	-25.4	0	0	0	112.2	R118 L120 R145	R118-D122 IonicContact CZ-OD1 2.88Å; R118-D122 VanDerWaalsContact NE-CG 3.3Å; R118-D122 IonicContact NE-OD1 3.7Å; R118-D122 PolarHBondContact NE-OD1 2.8Å; R118-D122 IonicContact NE-OD2 2.88Å; R118-D122 PolarHBondContact NE-OD2 3.25Å; R118-D122 VanDerWaalsContact NE-OD2 3.15Å; R118-D122 IonicContact NH2-OD1 3.67Å; R118-D122 PolarHBondContact NH2-OD1 2.76Å; R118-D122 WeakPolarHBondContact O-CB 3.5Å; R118-D122 VanDerWaalsContact O-CG 3.22Å; R118-D122 PolarHBondContact O-N 3.39Å; L120-D122 VanDerWaalsContact C-N 3.31Å; L120-D122 PolarHBondContact O-N 3.26Å; D122-R145 VanDerWaalsContact O-CZ 3.3Å; D122-R145 PolarHBondContact O-NH1 2.88Å
123	C	92.6	Very high	91.8	Very high	84 Å²	84	59.4 Å²	59.4	57%	0.568	30%	0.302	S	S	*	.	H	α-helix	trans	-95.1	-12.1	-178.4	-66	0	0	0	0	114.2	I99 Q119 L120 L121	I99-C123 HydrophobicContact CD1-CB 3.56Å; I99-C123 HydrophobicContact CG1-CB 4.34Å; Q119-C123 PolarHBondContact O-N 3.33Å; Q119-C123 PolarHBondContact O-SG 2.89Å; L120-C123 CarbonylContact O-C 3.31Å; L120-C123 PolarHBondContact O-N 3.36Å; L121-C123 VanDerWaalsContact C-N 3.31Å
124	L	94	Very high	91.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.283	C	S	.	.	S	Bend	trans	-60.6	141.2	177.5	-76.1	-176.9	0	0	0	111.3	I99 F102 L120 L121 L128 I137 Y142 R145	I99-L124 HydrophobicContact CG1-CD2 4.47Å; I99-L124 HydrophobicContact CG2-CD2 4.34Å; F102-L124 HydrophobicContact CB-CD2 3.78Å; F102-L124 HydrophobicContact CD1-CD1 4.28Å; F102-L124 HydrophobicContact CD1-CD2 4.17Å; F102-L124 HydrophobicContact CD2-CD1 4.24Å; F102-L124 HydrophobicContact CD2-CD2 3.79Å; F102-L124 HydrophobicContact CE1-CD1 4.09Å; F102-L124 HydrophobicContact CE2-CD1 4.03Å; F102-L124 HydrophobicContact CE2-CD2 4.4Å; F102-L124 HydrophobicContact CG-CD1 4.35Å; F102-L124 HydrophobicContact CG-CD2 3.64Å; F102-L124 HydrophobicContact CZ-CD1 3.96Å; L120-L124 HydrophobicContact CD2-CD1 3.65Å; L120-L124 HydrophobicContact CD2-CD2 3.8Å; L120-L124 HydrophobicContact CD2-CG 3.65Å; L120-L124 HydrophobicContact CG-CD2 4.39Å; L120-L124 HydrophobicContact CG-CG 4.47Å; L120-L124 WeakPolarHBondContact O-CG 3.01Å; L120-L124 PolarHBondContact O-N 3.26Å; L121-L124 HydrophobicContact CD2-CD1 4.18Å; L124-L128 HydrophobicContact CB-CD1 4.18Å; L124-L128 HydrophobicContact CD1-CD1 4.26Å; L124-L128 HydrophobicContact CD2-CD1 4.15Å; L124-L128 HydrophobicContact CG-CD1 4.42Å; L124-I137 HydrophobicContact CD1-CD1 3.6Å; L124-Y142 HydrophobicContact CB-CD2 4.13Å; L124-Y142 HydrophobicContact CB-CE2 3.83Å; L124-Y142 HydrophobicContact CD1-CD2 4.43Å; L124-Y142 HydrophobicContact CD1-CE2 4.3Å; L124-R145 PolarHBondContact O-NH1 3.32Å; L124-R145 PolarHBondContact O-NH2 3.5Å
125	P	93.4	Very high	91.6	Very high	52 Å²	52	55.3 Å²	55.3	34%	0.338	28%	0.281	S	S	.	.			trans	-71.7	151	173.8	24.4	-26.1	0	0	0	112	N127 L128 Y142	P125-N127 WeakPolarHBondContact CB-OD1 3.47Å; P125-L128 HydrophobicContact CG-CD1 4.26Å; P125-L128 HydrophobicContact CG-CD2 3.83Å; P125-L128 HydrophobicContact CG-CG 3.82Å; P125-L128 WeakPolarHBondContact O-CD1 3.42Å; P125-L128 WeakPolarHBondContact O-CG 3.47Å; P125-Y142 PolarHBondContact O-OH 3.43Å
126	T	92.5	Very high	91.6	Very high	44 Å²	44	49.1 Å²	49.1	27%	0.27	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-7	-176.8	53.2	0	0	0	0	113.7	R145 A149	T126-R145 HydrophobicContact CG2-CB 3.85Å; T126-A149 HydrophobicContact CG2-CB 4.23Å
127	N	91	Very high	91.7	Very high	138 Å²	138	47.3 Å²	47.3	74%	0.738	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.5	13.5	-179.9	69.1	-26.4	0	0	0	113.5	P125	P125-N127 WeakPolarHBondContact CB-OD1 3.47Å
128	L	91.7	Very high	91.6	Very high	16 Å²	16	50.2 Å²	50.2	8%	0.084	26%	0.264	C	S	.	.			trans	-60	148.8	175.6	-70.6	171.5	0	0	0	111.5	F102 E103 L124 P125 L130 T133	F102-L128 HydrophobicContact CD1-CD1 3.85Å; F102-L128 HydrophobicContact CE1-CD1 4.4Å; E103-L128 HydrophobicContact CB-CD2 4.12Å; L124-L128 HydrophobicContact CB-CD1 4.18Å; L124-L128 HydrophobicContact CD1-CD1 4.26Å; L124-L128 HydrophobicContact CD2-CD1 4.15Å; L124-L128 HydrophobicContact CG-CD1 4.42Å; P125-L128 HydrophobicContact CG-CD1 4.26Å; P125-L128 HydrophobicContact CG-CD2 3.83Å; P125-L128 HydrophobicContact CG-CG 3.82Å; P125-L128 WeakPolarHBondContact O-CD1 3.42Å; P125-L128 WeakPolarHBondContact O-CG 3.47Å; L128-L130 PolarHBondContact O-N 2.84Å; L128-T133 HydrophobicContact CB-CG2 3.58Å; L128-T133 HydrophobicContact CD1-CG2 4.06Å; L128-T133 HydrophobicContact CG-CG2 4.49Å
129	S	91.7	Very high	91.7	Very high	41 Å²	41	48.6 Å²	48.6	29%	0.287	26%	0.261	S	S	.	.			trans	-57.5	128.8	177.9	178	0	0	0	0	112.5	E103 K131 V132 T133	E103-S129 WeakPolarHBondContact OE1-CB 3.37Å; S129-K131 PolarHBondContact O-N 3.07Å; S129-K131 VanDerWaalsContact O-N 3.15Å; S129-K131 WeakPolarHBondContact OG-CB 3.4Å; S129-K131 PolarHBondContact OG-N 3.45Å; S129-V132 PolarHBondContact O-N 3.47Å; S129-T133 PolarHBondContact O-N 3.07Å; S129-T133 PolarHBondContact O-OG1 3.21Å
130	L	92.1	Very high	91.8	Very high	27 Å²	27	48.5 Å²	48.5	14%	0.141	26%	0.263	C	S	.	.	H	α-helix	trans	-59.9	-24.8	175	-60.6	176.2	0	0	0	112.1	L128 V132 T133 S134 W143 Y167 F168 L171 Y195	L128-L130 PolarHBondContact O-N 2.84Å; L130-V132 PolarHBondContact O-N 2.82Å; L130-T133 WeakPolarHBondContact CA-OG1 3.36Å; L130-S134 WeakPolarHBondContact O-CB 3.46Å; L130-S134 PolarHBondContact O-N 3.38Å; L130-S134 PolarHBondContact O-OG 2.91Å; L130-W143 HydrophobicContact CD2-CH2 4.35Å; L130-W143 HydrophobicContact CD2-CZ3 4.41Å; L130-Y167 HydrophobicContact CD1-CE1 4.37Å; L130-Y167 HydrophobicContact CD2-CE1 3.62Å; L130-F168 HydrophobicContact CD1-CE1 4.34Å; L130-F168 HydrophobicContact CD2-CE1 4.23Å; L130-F168 HydrophobicContact CD2-CZ 4.37Å; L130-L171 HydrophobicContact CD1-CD2 3.29Å; L130-Y195 HydrophobicContact CB-CD2 4.04Å; L130-Y195 HydrophobicContact CB-CG 4.41Å
131	K	89.9	Confident	91.8	Very high	131 Å²	131	51.1 Å²	51.1	57%	0.57	28%	0.281	S	S	*	.	H	α-helix	trans	-56.8	-38.1	173	-174.7	177.3	177.4	-178.5	0	111.8	S129 H135 Y195	S129-K131 PolarHBondContact O-N 3.07Å; S129-K131 VanDerWaalsContact O-N 3.15Å; S129-K131 WeakPolarHBondContact OG-CB 3.4Å; S129-K131 PolarHBondContact OG-N 3.45Å; K131-H135 PolarHBondContact O-CE1 3.3Å; K131-H135 PolarHBondContact O-ND1 3.47Å; K131-H135 VanDerWaalsContact O-ND1 3.09Å; K131-Y195 HydrophobicContact CB-CE1 3.94Å; K131-Y195 HydrophobicContact CB-CE2 4.31Å; K131-Y195 WeakPolarHBondContact CB-OH 3.47Å; K131-Y195 HydrophobicContact CG-CE1 3.99Å; K131-Y195 WeakPolarHBondContact CG-OH 3.46Å
132	V	90.3	Very high	91.9	Very high	18 Å²	18	50.9 Å²	50.9	11%	0.109	28%	0.28	C	S	.	.	H	α-helix	trans	-88.8	-47.5	-177.6	-176.9	0	0	0	0	110.4	F102 E103 P106 S129 L130 I136	F102-V132 HydrophobicContact CD1-CG1 4.21Å; F102-V132 HydrophobicContact CE1-CG1 4.01Å; E103-V132 HydrophobicContact CG-CG2 4.34Å; E103-V132 WeakPolarHBondContact O-CG2 3.26Å; P106-V132 HydrophobicContact CB-CG1 3.9Å; P106-V132 HydrophobicContact CG-CG1 3.93Å; S129-V132 PolarHBondContact O-N 3.47Å; L130-V132 PolarHBondContact O-N 2.82Å; V132-I136 HydrophobicContact CG1-CD1 4.15Å; V132-I136 WeakPolarHBondContact O-CB 3.37Å; V132-I136 WeakPolarHBondContact O-CD1 3.24Å; V132-I136 VanDerWaalsContact O-CG1 3.26Å; V132-I136 WeakPolarHBondContact O-CG1 2.95Å
133	T	92.6	Very high	92.1	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-78	-31	-170.7	58.6	0	0	0	0	113.8	L128 S129 L130 H135 I136 I137 Y142	L128-T133 HydrophobicContact CB-CG2 3.58Å; L128-T133 HydrophobicContact CD1-CG2 4.06Å; L128-T133 HydrophobicContact CG-CG2 4.49Å; S129-T133 PolarHBondContact O-N 3.07Å; S129-T133 PolarHBondContact O-OG1 3.21Å; L130-T133 WeakPolarHBondContact CA-OG1 3.36Å; T133-H135 PolarHBondContact O-N 3.22Å; T133-I136 PolarHBondContact O-N 3.06Å; T133-I137 HydrophobicContact CG2-CD1 3.95Å; T133-I137 PolarHBondContact O-N 2.91Å; T133-Y142 HydrophobicContact CG2-CE1 4.34Å
134	S	90	Very high	92.2	Very high	7 Å²	7	44.8 Å²	44.8	5%	0.049	24%	0.243	C	C	.	.	H	α-helix	trans	-56.7	-42.5	-174	54.1	0	0	0	0	114	L130 K164 Y199	L130-S134 WeakPolarHBondContact O-CB 3.46Å; L130-S134 PolarHBondContact O-N 3.38Å; L130-S134 PolarHBondContact O-OG 2.91Å; S134-K164 WeakPolarHBondContact O-CE 3.39Å; S134-K164 PolarHBondContact O-NZ 2.75Å; S134-Y199 PolarHBondContact O-OH 3.21Å
135	H	88.5	Confident	92.3	Very high	124 Å²	124	48.4 Å²	48.4	57%	0.574	26%	0.257	S	S	*	.	H	α-helix	trans	-100.9	-10.9	-175.5	64.4	-77	0	0	0	113.6	K131 T133	K131-H135 PolarHBondContact O-CE1 3.3Å; K131-H135 PolarHBondContact O-ND1 3.47Å; K131-H135 VanDerWaalsContact O-ND1 3.09Å; T133-H135 PolarHBondContact O-N 3.22Å
136	I	90.9	Very high	92.4	Very high	20 Å²	20	46 Å²	46	10%	0.103	24%	0.241	C	C	.	.	H	α-helix	trans	-101.8	-40.1	-172.4	-66	-174.7	0	0	0	111.8	F102 P106 F109 M110 V132 T133	F102-I136 HydrophobicContact CZ-CG2 4.01Å; P106-I136 HydrophobicContact CB-CD1 3.47Å; P106-I136 VanDerWaalsContact CB-CD1 3.47Å; P106-I136 HydrophobicContact CG-CD1 3.41Å; P106-I136 VanDerWaalsContact CG-CD1 3.41Å; F109-I136 HydrophobicContact CD1-CG2 3.66Å; F109-I136 HydrophobicContact CE1-CG2 4.1Å; M110-I136 HydrophobicContact CE-CB 4.29Å; M110-I136 HydrophobicContact CE-CG1 4.36Å; M110-I136 HydrophobicContact CE-CG2 3.6Å; V132-I136 HydrophobicContact CG1-CD1 4.15Å; V132-I136 WeakPolarHBondContact O-CB 3.37Å; V132-I136 WeakPolarHBondContact O-CD1 3.24Å; V132-I136 VanDerWaalsContact O-CG1 3.26Å; V132-I136 WeakPolarHBondContact O-CG1 2.95Å; T133-I136 PolarHBondContact O-N 3.06Å
137	I	92.2	Very high	92.5	Very high	1 Å²	1	44 Å²	44	1%	0.005	23%	0.228	C	C	.	.			trans	-106.2	112	-172.5	-54.9	177.4	0	0	0	109	F102 L121 L124 T133 D139 Y142 W143 K164	F102-I137 HydrophobicContact CE1-CD1 3.89Å; F102-I137 HydrophobicContact CE1-CG1 4.45Å; F102-I137 HydrophobicContact CZ-CD1 3.89Å; F102-I137 HydrophobicContact CZ-CG1 4.14Å; L121-I137 HydrophobicContact CD2-CD1 4.28Å; L121-I137 HydrophobicContact CD2-CG1 4.34Å; L121-I137 HydrophobicContact CD2-CG2 3.72Å; L124-I137 HydrophobicContact CD1-CD1 3.6Å; T133-I137 HydrophobicContact CG2-CD1 3.95Å; T133-I137 PolarHBondContact O-N 2.91Å; I137-D139 HydrophobicContact CG2-CB 4.03Å; I137-Y142 HydrophobicContact CB-CD1 4.27Å; I137-Y142 HydrophobicContact CD1-CD1 4.09Å; I137-Y142 HydrophobicContact CD1-CD2 4.4Å; I137-Y142 HydrophobicContact CD1-CE1 3.94Å; I137-Y142 HydrophobicContact CD1-CE2 4.28Å; I137-Y142 HydrophobicContact CD1-CG 4.32Å; I137-Y142 HydrophobicContact CG2-CD1 3.56Å; I137-Y142 HydrophobicContact CG2-CE1 4.34Å; I137-Y142 HydrophobicContact CG2-CG 3.81Å; I137-W143 PolarHBondContact O-NE1 2.91Å; I137-K164 WeakPolarHBondContact O-CE 3.12Å; I137-K164 PolarHBondContact O-NZ 2.7Å
138	D	90.9	Very high	92.8	Very high	109 Å²	109	43.5 Å²	43.5	58%	0.583	22%	0.217	S	C	*	.			trans	-103.3	0.6	169.5	-67.9	-45.3	0	0	0	112.6	D140 K164	D138-D140 PolarHBondContact O-N 2.82Å; D138-K164 IonicContact OD1-NZ 2.82Å; D138-K164 PolarHBondContact OD1-NZ 2.77Å
139	D	92.8	Very high	92.9	Very high	40 Å²	40	45.7 Å²	45.7	21%	0.214	24%	0.238	C	C	.	.			trans	-66.1	119.7	-176.4	179.9	67.7	0	0	0	112.9	R118 L121 I137 S141 Y142 W143	R118-D139 IonicContact CZ-OD1 3.02Å; R118-D139 IonicContact CZ-OD2 3.63Å; R118-D139 IonicContact NH1-OD1 3.61Å; R118-D139 PolarHBondContact NH1-OD1 2.83Å; R118-D139 IonicContact NH1-OD2 3.73Å; R118-D139 PolarHBondContact NH1-OD2 3.02Å; R118-D139 IonicContact NH2-OD2 3.71Å; R118-D139 PolarHBondContact NH2-OD2 2.98Å; L121-D139 HydrophobicContact CD1-CB 3.66Å; L121-D139 HydrophobicContact CD2-CB 4.14Å; L121-D139 HydrophobicContact CG-CB 4.46Å; I137-D139 HydrophobicContact CG2-CB 4.03Å; D139-S141 VanDerWaalsContact C-N 3.27Å; D139-S141 PolarHBondContact O-N 3.13Å; D139-S141 VanDerWaalsContact OD2-CB 3.31Å; D139-S141 WeakPolarHBondContact OD2-CB 3.49Å; D139-S141 PolarHBondContact OD2-N 2.77Å; D139-Y142 PolarHBondContact O-N 2.76Å; D139-Y142 PolarHBondContact OD2-N 2.84Å; D139-W143 PolarHBondContact O-N 3.14Å
140	D	92	Very high	93.1	Very high	79 Å²	79	48.8 Å²	48.8	42%	0.422	25%	0.246	S	C	.	.	H	α-helix	trans	-61.3	-34.5	-179.9	-82.5	-28.4	0	0	0	112.8	D138 W143 T144	D138-D140 PolarHBondContact O-N 2.82Å; D140-W143 PolarHBondContact O-N 3.46Å; D140-T144 VanDerWaalsContact O-CB 3.26Å; D140-T144 WeakPolarHBondContact O-CB 3.47Å; D140-T144 PolarHBondContact O-N 2.88Å; D140-T144 PolarHBondContact O-OG1 3.1Å
141	S	92.7	Very high	93.2	Very high	56 Å²	56	48.7 Å²	48.7	39%	0.392	24%	0.244	S	C	.	.	H	α-helix	trans	-68.2	-38.7	-179.3	-63.1	0	0	0	0	111.5	D139 T144 R145	D139-S141 VanDerWaalsContact C-N 3.27Å; D139-S141 PolarHBondContact O-N 3.13Å; D139-S141 VanDerWaalsContact OD2-CB 3.31Å; D139-S141 WeakPolarHBondContact OD2-CB 3.49Å; D139-S141 PolarHBondContact OD2-N 2.77Å; S141-T144 PolarHBondContact O-N 3.06Å; S141-R145 WeakPolarHBondContact O-CG 3.4Å; S141-R145 PolarHBondContact O-N 3.31Å; S141-R145 VanDerWaalsContact O-N 3.1Å
142	Y	95.7	Very high	93.2	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.008	25%	0.254	C	S	.	.	H	α-helix	trans	-59.8	-50.8	171.2	176.5	-98.5	0	0	0	111.6	L124 P125 T133 I137 D139 T144 R145 C146	L124-Y142 HydrophobicContact CB-CD2 4.13Å; L124-Y142 HydrophobicContact CB-CE2 3.83Å; L124-Y142 HydrophobicContact CD1-CD2 4.43Å; L124-Y142 HydrophobicContact CD1-CE2 4.3Å; P125-Y142 PolarHBondContact O-OH 3.43Å; T133-Y142 HydrophobicContact CG2-CE1 4.34Å; I137-Y142 HydrophobicContact CB-CD1 4.27Å; I137-Y142 HydrophobicContact CD1-CD1 4.09Å; I137-Y142 HydrophobicContact CD1-CD2 4.4Å; I137-Y142 HydrophobicContact CD1-CE1 3.94Å; I137-Y142 HydrophobicContact CD1-CE2 4.28Å; I137-Y142 HydrophobicContact CD1-CG 4.32Å; I137-Y142 HydrophobicContact CG2-CD1 3.56Å; I137-Y142 HydrophobicContact CG2-CE1 4.34Å; I137-Y142 HydrophobicContact CG2-CG 3.81Å; D139-Y142 PolarHBondContact O-N 2.76Å; D139-Y142 PolarHBondContact OD2-N 2.84Å; Y142-T144 VanDerWaalsContact C-N 3.31Å; Y142-T144 PolarHBondContact O-N 3.16Å; Y142-R145 PolarHBondContact O-N 2.99Å; Y142-C146 WeakPolarHBondContact CE1-SG 3.36Å; Y142-C146 PolarHBondContact O-N 3.19Å; Y142-C146 PolarHBondContact O-SG 2.97Å
143	W	96.1	Very high	93.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-68	-31.8	-179.2	-68.7	109.7	0	0	0	112.7	L130 I137 D139 D140 C146 C147 W163 K164 Y167 F168	L130-W143 HydrophobicContact CD2-CH2 4.35Å; L130-W143 HydrophobicContact CD2-CZ3 4.41Å; I137-W143 PolarHBondContact O-NE1 2.91Å; D139-W143 PolarHBondContact O-N 3.14Å; D140-W143 PolarHBondContact O-N 3.46Å; W143-C146 HydrophobicContact CE3-CB 4.21Å; W143-C146 PolarHBondContact O-N 3.42Å; W143-C147 WeakPolarHBondContact O-CB 3.27Å; W143-C147 PolarHBondContact O-N 3.09Å; W143-C147 PolarHBondContact O-SG 3.29Å; W143-C147 VanDerWaalsContact O-SG 3.35Å; W143-W163 HydrophobicContact CB-CB 3.71Å; W143-K164 HydrophobicContact CB-CB 4.47Å; W143-K164 HydrophobicContact CD2-CB 4.13Å; W143-K164 HydrophobicContact CD2-CG 3.99Å; W143-K164 HydrophobicContact CG-CB 3.84Å; W143-K164 HydrophobicContact CG-CG 4.2Å; W143-K164 HydrophobicContact CZ2-CD 4.2Å; W143-K164 HydrophobicContact CZ2-CG 4.08Å; W143-Y167 AromaticContact CE3-CD1 3.97Å; W143-Y167 HydrophobicContact CE3-CD1 3.97Å; W143-Y167 HydrophobicContact CE3-CD2 4.14Å; W143-Y167 AromaticContact CE3-CG 3.73Å; W143-Y167 HydrophobicContact CE3-CG 3.73Å; W143-Y167 AromaticContact CZ3-CD1 3.54Å; W143-Y167 HydrophobicContact CZ3-CD1 3.54Å; W143-Y167 HydrophobicContact CZ3-CD2 4.33Å; W143-Y167 AromaticContact CZ3-CE1 3.86Å; W143-Y167 HydrophobicContact CZ3-CE1 3.86Å; W143-Y167 AromaticContact CZ3-CG 3.8Å; W143-Y167 HydrophobicContact CZ3-CG 3.8Å; W143-F168 AromaticContact CH2-CE2 3.73Å; W143-F168 HydrophobicContact CH2-CE2 3.73Å; W143-F168 AromaticContact CH2-CZ 3.73Å; W143-F168 HydrophobicContact CH2-CZ 3.73Å; W143-F168 HydrophobicContact CZ2-CE2 4.1Å; W143-F168 HydrophobicContact CZ2-CZ 4.41Å; W143-F168 HydrophobicContact CZ3-CE2 4.16Å; W143-F168 HydrophobicContact CZ3-CZ 4.27Å
144	T	95.3	Very high	93.2	Very high	34 Å²	34	55 Å²	55	21%	0.209	29%	0.29	C	S	.	.	H	α-helix	trans	-58.2	-49.2	170.7	-59.5	0	0	0	0	110.6	D140 S141 Y142 C146 C147 Y148 W163	D140-T144 VanDerWaalsContact O-CB 3.26Å; D140-T144 WeakPolarHBondContact O-CB 3.47Å; D140-T144 PolarHBondContact O-N 2.88Å; D140-T144 PolarHBondContact O-OG1 3.1Å; S141-T144 PolarHBondContact O-N 3.06Å; Y142-T144 VanDerWaalsContact C-N 3.31Å; Y142-T144 PolarHBondContact O-N 3.16Å; T144-C146 VanDerWaalsContact C-N 3.32Å; T144-C146 PolarHBondContact O-N 3.45Å; T144-C147 PolarHBondContact O-N 3.43Å; T144-Y148 HydrophobicContact CG2-CD2 3.67Å; T144-Y148 HydrophobicContact CG2-CE2 3.53Å; T144-Y148 VanDerWaalsContact O-CD2 3.24Å; T144-Y148 WeakPolarHBondContact O-CD2 3.44Å; T144-Y148 PolarHBondContact O-N 2.88Å; T144-W163 HydrophobicContact CG2-CD2 4.29Å; T144-W163 HydrophobicContact CG2-CE3 4.35Å; T144-W163 HydrophobicContact CG2-CH2 4.26Å; T144-W163 HydrophobicContact CG2-CZ2 4.19Å; T144-W163 HydrophobicContact CG2-CZ3 4.31Å; T144-W163 VanDerWaalsContact OG1-CD2 3.26Å; T144-W163 VanDerWaalsContact OG1-CG 3.27Å; T144-W163 PolarHBondContact OG1-NE1 2.99Å
145	R	95.4	Very high	93.3	Very high	77 Å²	77	58.2 Å²	58.2	29%	0.291	31%	0.307	S	S	.	.	H	α-helix	trans	-61.8	-40.1	175.2	-66.7	-170.3	-54.3	121.7	6.2	111.7	L121 D122 L124 T126 S141 Y142 A149	L121-R145 PolarHBondContact O-NH2 2.9Å; D122-R145 VanDerWaalsContact O-CZ 3.3Å; D122-R145 PolarHBondContact O-NH1 2.88Å; L124-R145 PolarHBondContact O-NH1 3.32Å; L124-R145 PolarHBondContact O-NH2 3.5Å; T126-R145 HydrophobicContact CG2-CB 3.85Å; S141-R145 WeakPolarHBondContact O-CG 3.4Å; S141-R145 PolarHBondContact O-N 3.31Å; S141-R145 VanDerWaalsContact O-N 3.1Å; Y142-R145 PolarHBondContact O-N 2.99Å; R145-A149 VanDerWaalsContact O-CB 3.25Å; R145-A149 WeakPolarHBondContact O-CB 3.24Å; R145-A149 PolarHBondContact O-N 3.33Å
146	C	95.9	Very high	93.4	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.014	29%	0.289	C	S	.	.	H	α-helix	trans	-64.7	-41	177.8	-65.2	0	0	0	0	112.6	Y142 W143 T144 A149 K150 Y167	Y142-C146 WeakPolarHBondContact CE1-SG 3.36Å; Y142-C146 PolarHBondContact O-N 3.19Å; Y142-C146 PolarHBondContact O-SG 2.97Å; W143-C146 HydrophobicContact CE3-CB 4.21Å; W143-C146 PolarHBondContact O-N 3.42Å; T144-C146 VanDerWaalsContact C-N 3.32Å; T144-C146 PolarHBondContact O-N 3.45Å; C146-A149 PolarHBondContact O-N 3.21Å; C146-K150 PolarHBondContact O-N 3.22Å; C146-Y167 HydrophobicContact CB-CD2 3.76Å; C146-Y167 HydrophobicContact CB-CE2 3.63Å
147	C	95.8	Very high	93.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63.4	-52.2	175.4	-73.7	0	0	0	0	111	W143 T144 A149 K150 W151 I154 W163	W143-C147 WeakPolarHBondContact O-CB 3.27Å; W143-C147 PolarHBondContact O-N 3.09Å; W143-C147 PolarHBondContact O-SG 3.29Å; W143-C147 VanDerWaalsContact O-SG 3.35Å; T144-C147 PolarHBondContact O-N 3.43Å; C147-A149 PolarHBondContact O-N 2.67Å; C147-K150 PolarHBondContact O-N 3.08Å; C147-W151 HydrophobicContact CB-CE3 4.1Å; C147-W151 HydrophobicContact CB-CZ3 4.24Å; C147-W151 PolarHBondContact O-N 3.24Å; C147-I154 HydrophobicContact CB-CD1 4.1Å; C147-I154 HydrophobicContact CB-CG2 4.33Å; C147-W163 HydrophobicContact CB-CE3 3.97Å; C147-W163 HydrophobicContact CB-CZ3 4.03Å
148	Y	95.4	Very high	93.3	Very high	128 Å²	128	64.6 Å²	64.6	50%	0.502	34%	0.339	S	S	.	.	H	α-helix	trans	-67.7	-22.6	-179.5	-73.6	-58.1	0	0	0	114	T144 K150 W151 I154 W163	T144-Y148 HydrophobicContact CG2-CD2 3.67Å; T144-Y148 HydrophobicContact CG2-CE2 3.53Å; T144-Y148 VanDerWaalsContact O-CD2 3.24Å; T144-Y148 WeakPolarHBondContact O-CD2 3.44Å; T144-Y148 PolarHBondContact O-N 2.88Å; Y148-K150 VanDerWaalsContact C-N 3.29Å; Y148-W151 WeakPolarHBondContact CA-O 3.36Å; Y148-I154 HydrophobicContact CE1-CG2 4.15Å; Y148-W163 AromaticContact CE2-CH2 3.89Å; Y148-W163 HydrophobicContact CE2-CH2 3.89Å; Y148-W163 HydrophobicContact CE2-CZ3 4.18Å; Y148-W163 AromaticContact CZ-CH2 3.92Å
149	A	95.5	Very high	93.4	Very high	63 Å²	63	60.5 Å²	60.5	52%	0.521	32%	0.316	S	S	.	.	H	α-helix	trans	-69.8	-26.1	171.9	0	0	0	0	0	112.9	T126 R145 C146 C147	T126-A149 HydrophobicContact CG2-CB 4.23Å; R145-A149 VanDerWaalsContact O-CB 3.25Å; R145-A149 WeakPolarHBondContact O-CB 3.24Å; R145-A149 PolarHBondContact O-N 3.33Å; C146-A149 PolarHBondContact O-N 3.21Å; C147-A149 PolarHBondContact O-N 2.67Å
150	K	94.5	Very high	93.2	Very high	106 Å²	106	64.7 Å²	64.7	46%	0.461	34%	0.338	S	S	.	.	H	α-helix	trans	-103.2	-39.7	-179.2	-77.7	-175.6	167.7	-77.2	0	113.7	C146 C147 Y148 Y167	C146-K150 PolarHBondContact O-N 3.22Å; C147-K150 PolarHBondContact O-N 3.08Å; Y148-K150 VanDerWaalsContact C-N 3.29Å; K150-Y167 HydrophobicContact CD-CE2 3.82Å; K150-Y167 VanDerWaalsContact CE-OH 3.24Å; K150-Y167 WeakPolarHBondContact CE-OH 3.2Å
151	W	94.7	Very high	93.1	Very high	25 Å²	25	62.8 Å²	62.8	10%	0.095	34%	0.337	C	S	.	.			trans	-126.6	126.9	-173.7	-50.2	-68.8	0	0	0	110.1	C147 Y148 I153 I154 Y167 R170 L171 E174	C147-W151 HydrophobicContact CB-CE3 4.1Å; C147-W151 HydrophobicContact CB-CZ3 4.24Å; C147-W151 PolarHBondContact O-N 3.24Å; Y148-W151 WeakPolarHBondContact CA-O 3.36Å; W151-I153 VanDerWaalsContact C-N 3.32Å; W151-I153 PolarHBondContact O-N 2.86Å; W151-I154 HydrophobicContact CE3-CD1 4.2Å; W151-Y167 AromaticContact CH2-CD2 3.88Å; W151-Y167 HydrophobicContact CH2-CD2 3.88Å; W151-Y167 HydrophobicContact CH2-CE2 4.18Å; W151-Y167 HydrophobicContact CH2-CG 4.22Å; W151-Y167 WeakPolarHBondContact CH2-O 3.19Å; W151-Y167 AromaticContact CZ3-CD2 3.64Å; W151-Y167 HydrophobicContact CZ3-CD2 3.64Å; W151-Y167 HydrophobicContact CZ3-CE2 4.18Å; W151-Y167 HydrophobicContact CZ3-CG 4.21Å; W151-R170 HydrophobicContact CD2-CB 4.36Å; W151-R170 HydrophobicContact CE3-CB 4.44Å; W151-R170 HydrophobicContact CH2-CB 3.69Å; W151-R170 HydrophobicContact CZ2-CB 3.57Å; W151-R170 HydrophobicContact CZ3-CB 4.13Å; W151-L171 HydrophobicContact CH2-CB 4.39Å; W151-E174 PolarHBondContact NE1-OE2 3.32Å
152	S	90.7	Very high	93.2	Very high	111 Å²	111	62.1 Å²	62.1	78%	0.776	33%	0.333	S	S	*	.	S	Bend	trans	-69.9	-29.4	-179.8	51.6	0	0	0	0	113.2
153	I	90.7	Very high	93.2	Very high	151 Å²	151	63.8 Å²	63.8	77%	0.774	34%	0.339	S	S	*	.			trans	-131.1	122.9	-178.7	-57.9	172.8	0	0	0	108	W151	W151-I153 VanDerWaalsContact C-N 3.32Å; W151-I153 PolarHBondContact O-N 2.86Å
154	I	91.7	Very high	93.2	Very high	19 Å²	19	64 Å²	64	10%	0.097	34%	0.34	C	S	.	.			trans	-144.4	122.7	172.2	-168.2	167.3	0	0	0	108.6	C147 Y148 W151 Y159 W163 A166 R170	C147-I154 HydrophobicContact CB-CD1 4.1Å; C147-I154 HydrophobicContact CB-CG2 4.33Å; Y148-I154 HydrophobicContact CE1-CG2 4.15Å; W151-I154 HydrophobicContact CE3-CD1 4.2Å; I154-Y159 HydrophobicContact CD1-CE2 4.47Å; I154-Y159 HydrophobicContact CG1-CE2 4.12Å; I154-W163 HydrophobicContact CG2-CH2 3.96Å; I154-W163 HydrophobicContact CG2-CZ3 3.47Å; I154-W163 VanDerWaalsContact CG2-CZ3 3.47Å; I154-A166 HydrophobicContact CD1-CB 3.8Å; I154-R170 HydrophobicContact CD1-CG 4.24Å
155	D	91.1	Very high	93.2	Very high	75 Å²	75	62.9 Å²	62.9	40%	0.401	33%	0.332	S	S	.	.			trans	-93.6	108.8	177.6	-177.8	-6.8	0	0	0	108.8	T157 Y158 Y159	D155-T157 PolarHBondContact O-N 2.65Å; D155-T157 WeakPolarHBondContact OD1-CB 3.26Å; D155-T157 WeakPolarHBondContact OD1-CG2 3.29Å; D155-T157 PolarHBondContact OD1-N 2.62Å; D155-T157 PolarHBondContact OD1-OG1 2.81Å; D155-T157 PolarHBondContact OD2-OG1 2.8Å; D155-Y158 HydrophobicContact CB-CD2 3.72Å; D155-Y158 HydrophobicContact CB-CE2 3.8Å; D155-Y158 VanDerWaalsContact OD2-CE2 3.25Å; D155-Y158 WeakPolarHBondContact OD2-CE2 3.5Å; D155-Y159 WeakPolarHBondContact O-CD2 3.23Å; D155-Y159 WeakPolarHBondContact O-CE2 3.47Å
156	I	91.9	Very high	93.3	Very high	39 Å²	39	59.2 Å²	59.2	20%	0.2	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-69.6	-19.3	-175.9	-163.1	60.2	0	0	0	112.7	Y158 Y159 G161 W163 A166	I156-Y158 PolarHBondContact O-N 2.87Å; I156-Y159 HydrophobicContact CD1-CD2 4.44Å; I156-Y159 PolarHBondContact O-N 3.27Å; I156-G161 PolarHBondContact O-N 2.9Å; I156-W163 HydrophobicContact CB-CH2 4.24Å; I156-W163 HydrophobicContact CB-CZ2 3.91Å; I156-W163 HydrophobicContact CD1-CB 4.47Å; I156-W163 HydrophobicContact CD1-CD2 3.59Å; I156-W163 HydrophobicContact CD1-CE3 3.95Å; I156-W163 HydrophobicContact CD1-CG 3.86Å; I156-W163 HydrophobicContact CD1-CH2 4.49Å; I156-W163 HydrophobicContact CD1-CZ2 4.18Å; I156-W163 HydrophobicContact CD1-CZ3 4.4Å; I156-W163 HydrophobicContact CG1-CD2 4.17Å; I156-W163 HydrophobicContact CG1-CZ2 3.96Å; I156-W163 HydrophobicContact CG2-CZ2 4.36Å; I156-A166 HydrophobicContact CD1-CB 4.03Å
157	T	90.8	Very high	93.3	Very high	99 Å²	99	59.7 Å²	59.7	61%	0.607	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-62.7	-28.9	-178.8	63.8	0	0	0	0	112	D155 Y159	D155-T157 PolarHBondContact O-N 2.65Å; D155-T157 WeakPolarHBondContact OD1-CB 3.26Å; D155-T157 WeakPolarHBondContact OD1-CG2 3.29Å; D155-T157 PolarHBondContact OD1-N 2.62Å; D155-T157 PolarHBondContact OD1-OG1 2.81Å; D155-T157 PolarHBondContact OD2-OG1 2.8Å; T157-Y159 VanDerWaalsContact C-N 3.26Å; T157-Y159 PolarHBondContact O-N 3.02Å
158	Y	89.2	Confident	93.4	Very high	142 Å²	142	59.7 Å²	59.7	56%	0.557	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-65.2	-30.1	173.9	-67.8	-78.3	0	0	0	111.8	D155 I156 R202	D155-Y158 HydrophobicContact CB-CD2 3.72Å; D155-Y158 HydrophobicContact CB-CE2 3.8Å; D155-Y158 VanDerWaalsContact OD2-CE2 3.25Å; D155-Y158 WeakPolarHBondContact OD2-CE2 3.5Å; I156-Y158 PolarHBondContact O-N 2.87Å; Y158-R202 VanDerWaalsContact C-NH2 3.33Å; Y158-R202 PolarHBondContact O-NH1 2.64Å; Y158-R202 PolarHBondContact O-NH2 3.3Å
159	Y	92.8	Very high	93.5	Very high	22 Å²	22	53.7 Å²	53.7	9%	0.086	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-101.5	20.7	-168.1	-53.2	-83.7	0	0	0	114.3	I154 D155 I156 T157 G161 S162 R165 A166 E169 R170	I154-Y159 HydrophobicContact CD1-CE2 4.47Å; I154-Y159 HydrophobicContact CG1-CE2 4.12Å; D155-Y159 WeakPolarHBondContact O-CD2 3.23Å; D155-Y159 WeakPolarHBondContact O-CE2 3.47Å; I156-Y159 HydrophobicContact CD1-CD2 4.44Å; I156-Y159 PolarHBondContact O-N 3.27Å; T157-Y159 VanDerWaalsContact C-N 3.26Å; T157-Y159 PolarHBondContact O-N 3.02Å; Y159-G161 PolarHBondContact O-N 2.99Å; Y159-S162 PolarHBondContact O-N 2.66Å; Y159-S162 VanDerWaalsContact O-N 3.15Å; Y159-R165 HydrophobicContact CD1-CG 4.29Å; Y159-R165 PolarHBondContact O-NH1 3.39Å; Y159-A166 VanDerWaalsContact CD1-CA 3.46Å; Y159-A166 HydrophobicContact CD1-CB 3.89Å; Y159-A166 HydrophobicContact CD2-CB 3.44Å; Y159-A166 VanDerWaalsContact CD2-CB 3.44Å; Y159-A166 HydrophobicContact CE1-CB 4.21Å; Y159-A166 HydrophobicContact CE2-CB 3.8Å; Y159-A166 HydrophobicContact CG-CB 3.47Å; Y159-A166 VanDerWaalsContact CG-CB 3.47Å; Y159-E169 WeakPolarHBondContact CD1-OE2 3.05Å; Y159-E169 HydrophobicContact CE1-CB 4.01Å; Y159-E169 VanDerWaalsContact CE1-OE2 3.26Å; Y159-E169 WeakPolarHBondContact CE1-OE2 3.35Å; Y159-R170 VanDerWaalsContact OH-CD 3.24Å; Y159-R170 WeakPolarHBondContact OH-CD 3.49Å; Y159-R170 WeakPolarHBondContact OH-CG 3.47Å
160	D	90	Very high	93.5	Very high	128 Å²	128	52.7 Å²	52.7	68%	0.684	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	33.6	-176.7	-53.9	-46.6	0	0	0	112.6	S162 R165	D160-S162 VanDerWaalsContact C-N 3.29Å; D160-S162 PolarHBondContact O-N 3.15Å; D160-R165 IonicContact OD2-CZ 3.15Å; D160-R165 IonicContact OD2-NH1 3.14Å; D160-R165 PolarHBondContact OD2-NH1 2.96Å
161	G	90.2	Very high	93.6	Very high	39 Å²	39	48.4 Å²	48.4	40%	0.402	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	-6.8	-179.9	0	0	0	0	0	115.5	I156 Y159 W163	I156-G161 PolarHBondContact O-N 2.9Å; Y159-G161 PolarHBondContact O-N 2.99Å; G161-W163 PolarHBondContact O-N 2.89Å
162	S	95.1	Very high	93.7	Very high	43 Å²	43	47.3 Å²	47.3	30%	0.301	26%	0.257	S	S	.	.			trans	-87.2	110	-175.7	-180	0	0	0	0	112.6	Y159 D160 K164 R165 A166	Y159-S162 PolarHBondContact O-N 2.66Å; Y159-S162 VanDerWaalsContact O-N 3.15Å; D160-S162 VanDerWaalsContact C-N 3.29Å; D160-S162 PolarHBondContact O-N 3.15Å; S162-K164 VanDerWaalsContact C-N 3.34Å; S162-R165 PolarHBondContact O-N 2.76Å; S162-R165 WeakPolarHBondContact OG-CB 3.45Å; S162-R165 PolarHBondContact OG-N 2.68Å; S162-A166 WeakPolarHBondContact O-CB 3.31Å; S162-A166 PolarHBondContact O-N 2.78Å
163	W	95.7	Very high	94	Very high	36 Å²	36	42.7 Å²	42.7	14%	0.136	22%	0.223	C	C	.	.	H	α-helix	trans	-68.3	-35	177.9	-74.6	96.3	0	0	0	112.7	W143 T144 C147 Y148 I154 I156 G161 A166 Y167	W143-W163 HydrophobicContact CB-CB 3.71Å; T144-W163 HydrophobicContact CG2-CD2 4.29Å; T144-W163 HydrophobicContact CG2-CE3 4.35Å; T144-W163 HydrophobicContact CG2-CH2 4.26Å; T144-W163 HydrophobicContact CG2-CZ2 4.19Å; T144-W163 HydrophobicContact CG2-CZ3 4.31Å; T144-W163 VanDerWaalsContact OG1-CD2 3.26Å; T144-W163 VanDerWaalsContact OG1-CG 3.27Å; T144-W163 PolarHBondContact OG1-NE1 2.99Å; C147-W163 HydrophobicContact CB-CE3 3.97Å; C147-W163 HydrophobicContact CB-CZ3 4.03Å; Y148-W163 AromaticContact CE2-CH2 3.89Å; Y148-W163 HydrophobicContact CE2-CH2 3.89Å; Y148-W163 HydrophobicContact CE2-CZ3 4.18Å; Y148-W163 AromaticContact CZ-CH2 3.92Å; I154-W163 HydrophobicContact CG2-CH2 3.96Å; I154-W163 HydrophobicContact CG2-CZ3 3.47Å; I154-W163 VanDerWaalsContact CG2-CZ3 3.47Å; I156-W163 HydrophobicContact CB-CH2 4.24Å; I156-W163 HydrophobicContact CB-CZ2 3.91Å; I156-W163 HydrophobicContact CD1-CB 4.47Å; I156-W163 HydrophobicContact CD1-CD2 3.59Å; I156-W163 HydrophobicContact CD1-CE3 3.95Å; I156-W163 HydrophobicContact CD1-CG 3.86Å; I156-W163 HydrophobicContact CD1-CH2 4.49Å; I156-W163 HydrophobicContact CD1-CZ2 4.18Å; I156-W163 HydrophobicContact CD1-CZ3 4.4Å; I156-W163 HydrophobicContact CG1-CD2 4.17Å; I156-W163 HydrophobicContact CG1-CZ2 3.96Å; I156-W163 HydrophobicContact CG2-CZ2 4.36Å; G161-W163 PolarHBondContact O-N 2.89Å; W163-A166 WeakPolarHBondContact O-CB 3.24Å; W163-A166 PolarHBondContact O-N 3.12Å; W163-Y167 PolarHBondContact O-N 2.77Å
164	K	95.4	Very high	94.2	Very high	6 Å²	6	39 Å²	39	3%	0.026	20%	0.202	C	C	.	.	H	α-helix	trans	-63	-46.1	175.9	-172.1	169.7	-172.1	170.8	0	111.6	S134 I137 D138 W143 S162 Y167 F168 Y199	S134-K164 WeakPolarHBondContact O-CE 3.39Å; S134-K164 PolarHBondContact O-NZ 2.75Å; I137-K164 WeakPolarHBondContact O-CE 3.12Å; I137-K164 PolarHBondContact O-NZ 2.7Å; D138-K164 IonicContact OD1-NZ 2.82Å; D138-K164 PolarHBondContact OD1-NZ 2.77Å; W143-K164 HydrophobicContact CB-CB 4.47Å; W143-K164 HydrophobicContact CD2-CB 4.13Å; W143-K164 HydrophobicContact CD2-CG 3.99Å; W143-K164 HydrophobicContact CG-CB 3.84Å; W143-K164 HydrophobicContact CG-CG 4.2Å; W143-K164 HydrophobicContact CZ2-CD 4.2Å; W143-K164 HydrophobicContact CZ2-CG 4.08Å; S162-K164 VanDerWaalsContact C-N 3.34Å; K164-Y167 PolarHBondContact O-N 2.95Å; K164-F168 HydrophobicContact CG-CD2 3.93Å; K164-F168 HydrophobicContact CG-CE2 3.81Å; K164-F168 VanDerWaalsContact O-CD2 3.24Å; K164-F168 WeakPolarHBondContact O-CD2 3.29Å; K164-F168 PolarHBondContact O-N 3.12Å; K164-F168 VanDerWaalsContact O-N 3.1Å; K164-Y199 HydrophobicContact CD-CD1 4.19Å; K164-Y199 HydrophobicContact CD-CE1 3.92Å; K164-Y199 HydrophobicContact CG-CD1 4.36Å; K164-Y199 PolarHBondContact NZ-OH 3.26Å
165	R	95.8	Very high	94.5	Very high	10 Å²	10	39.2 Å²	39.2	4%	0.038	20%	0.204	C	C	.	.	H	α-helix	trans	-60	-48	173.3	175.2	178.9	173.2	-152.6	7.7	111	Y159 D160 S162 Y167 F168 E169 Y199	Y159-R165 HydrophobicContact CD1-CG 4.29Å; Y159-R165 PolarHBondContact O-NH1 3.39Å; D160-R165 IonicContact OD2-CZ 3.15Å; D160-R165 IonicContact OD2-NH1 3.14Å; D160-R165 PolarHBondContact OD2-NH1 2.96Å; S162-R165 PolarHBondContact O-N 2.76Å; S162-R165 WeakPolarHBondContact OG-CB 3.45Å; S162-R165 PolarHBondContact OG-N 2.68Å; R165-Y167 PolarHBondContact O-N 2.67Å; R165-F168 PolarHBondContact O-N 3.4Å; R165-E169 HydrophobicContact CG-CG 4.01Å; R165-E169 IonicContact CZ-OE1 3.37Å; R165-E169 IonicContact CZ-OE2 2.78Å; R165-E169 IonicContact NE-OE1 2.73Å; R165-E169 PolarHBondContact NE-OE1 3.41Å; R165-E169 IonicContact NE-OE2 3.92Å; R165-E169 PolarHBondContact NE-OE2 2.8Å; R165-E169 IonicContact NH2-OE1 2.85Å; R165-E169 PolarHBondContact NH2-OE1 3.31Å; R165-E169 IonicContact NH2-OE2 2.63Å; R165-E169 WeakPolarHBondContact O-CB 3.45Å; R165-E169 WeakPolarHBondContact O-CG 3.49Å; R165-E169 PolarHBondContact O-N 3.36Å; R165-Y199 WeakPolarHBondContact CG-O 3.4Å
166	A	96.7	Very high	94.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-54.5	-44	178.6	0	0	0	0	0	111.8	I154 I156 Y159 S162 W163 R170	I154-A166 HydrophobicContact CD1-CB 3.8Å; I156-A166 HydrophobicContact CD1-CB 4.03Å; Y159-A166 VanDerWaalsContact CD1-CA 3.46Å; Y159-A166 HydrophobicContact CD1-CB 3.89Å; Y159-A166 HydrophobicContact CD2-CB 3.44Å; Y159-A166 VanDerWaalsContact CD2-CB 3.44Å; Y159-A166 HydrophobicContact CE1-CB 4.21Å; Y159-A166 HydrophobicContact CE2-CB 3.8Å; Y159-A166 HydrophobicContact CG-CB 3.47Å; Y159-A166 VanDerWaalsContact CG-CB 3.47Å; S162-A166 WeakPolarHBondContact O-CB 3.31Å; S162-A166 PolarHBondContact O-N 2.78Å; W163-A166 WeakPolarHBondContact O-CB 3.24Å; W163-A166 PolarHBondContact O-N 3.12Å; A166-R170 VanDerWaalsContact O-CB 3.23Å; A166-R170 WeakPolarHBondContact O-CB 3.43Å; A166-R170 WeakPolarHBondContact O-CG 3.35Å; A166-R170 PolarHBondContact O-N 3.18Å; A166-R170 VanDerWaalsContact O-N 3.11Å
167	Y	96.5	Very high	95	Very high	11 Å²	11	34.3 Å²	34.3	4%	0.043	18%	0.177	C	C	.	.	H	α-helix	trans	-61.2	-51.6	176.2	-173.3	-85.7	0	0	0	112.6	L130 W143 C146 K150 W151 W163 K164 R165 L171	L130-Y167 HydrophobicContact CD1-CE1 4.37Å; L130-Y167 HydrophobicContact CD2-CE1 3.62Å; W143-Y167 AromaticContact CE3-CD1 3.97Å; W143-Y167 HydrophobicContact CE3-CD1 3.97Å; W143-Y167 HydrophobicContact CE3-CD2 4.14Å; W143-Y167 AromaticContact CE3-CG 3.73Å; W143-Y167 HydrophobicContact CE3-CG 3.73Å; W143-Y167 AromaticContact CZ3-CD1 3.54Å; W143-Y167 HydrophobicContact CZ3-CD1 3.54Å; W143-Y167 HydrophobicContact CZ3-CD2 4.33Å; W143-Y167 AromaticContact CZ3-CE1 3.86Å; W143-Y167 HydrophobicContact CZ3-CE1 3.86Å; W143-Y167 AromaticContact CZ3-CG 3.8Å; W143-Y167 HydrophobicContact CZ3-CG 3.8Å; C146-Y167 HydrophobicContact CB-CD2 3.76Å; C146-Y167 HydrophobicContact CB-CE2 3.63Å; K150-Y167 HydrophobicContact CD-CE2 3.82Å; K150-Y167 VanDerWaalsContact CE-OH 3.24Å; K150-Y167 WeakPolarHBondContact CE-OH 3.2Å; W151-Y167 AromaticContact CH2-CD2 3.88Å; W151-Y167 HydrophobicContact CH2-CD2 3.88Å; W151-Y167 HydrophobicContact CH2-CE2 4.18Å; W151-Y167 HydrophobicContact CH2-CG 4.22Å; W151-Y167 WeakPolarHBondContact CH2-O 3.19Å; W151-Y167 AromaticContact CZ3-CD2 3.64Å; W151-Y167 HydrophobicContact CZ3-CD2 3.64Å; W151-Y167 HydrophobicContact CZ3-CE2 4.18Å; W151-Y167 HydrophobicContact CZ3-CG 4.21Å; W163-Y167 PolarHBondContact O-N 2.77Å; K164-Y167 PolarHBondContact O-N 2.95Å; R165-Y167 PolarHBondContact O-N 2.67Å; Y167-L171 HydrophobicContact CE1-CD2 3.94Å; Y167-L171 WeakPolarHBondContact O-CB 3.08Å; Y167-L171 PolarHBondContact O-N 3.34Å
168	F	96.5	Very high	95.2	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	17%	0.172	C	C	.	.	H	α-helix	trans	-71.8	-38.6	-175.1	-78.1	-66.7	0	0	0	113.5	L130 W143 K164 R165 L172 A196 Y199 V200	L130-F168 HydrophobicContact CD1-CE1 4.34Å; L130-F168 HydrophobicContact CD2-CE1 4.23Å; L130-F168 HydrophobicContact CD2-CZ 4.37Å; W143-F168 AromaticContact CH2-CE2 3.73Å; W143-F168 HydrophobicContact CH2-CE2 3.73Å; W143-F168 AromaticContact CH2-CZ 3.73Å; W143-F168 HydrophobicContact CH2-CZ 3.73Å; W143-F168 HydrophobicContact CZ2-CE2 4.1Å; W143-F168 HydrophobicContact CZ2-CZ 4.41Å; W143-F168 HydrophobicContact CZ3-CE2 4.16Å; W143-F168 HydrophobicContact CZ3-CZ 4.27Å; K164-F168 HydrophobicContact CG-CD2 3.93Å; K164-F168 HydrophobicContact CG-CE2 3.81Å; K164-F168 VanDerWaalsContact O-CD2 3.24Å; K164-F168 WeakPolarHBondContact O-CD2 3.29Å; K164-F168 PolarHBondContact O-N 3.12Å; K164-F168 VanDerWaalsContact O-N 3.1Å; R165-F168 PolarHBondContact O-N 3.4Å; F168-L172 WeakPolarHBondContact O-CB 3.05Å; F168-L172 PolarHBondContact O-N 3.1Å; F168-A196 HydrophobicContact CB-CB 4.04Å; F168-A196 HydrophobicContact CD1-CB 3.72Å; F168-A196 HydrophobicContact CG-CB 4.18Å; F168-Y199 AromaticContact CD2-CD2 3.55Å; F168-Y199 HydrophobicContact CD2-CD2 3.55Å; F168-Y199 HydrophobicContact CD2-CE2 4.31Å; F168-Y199 AromaticContact CD2-CG 3.98Å; F168-Y199 HydrophobicContact CD2-CG 3.98Å; F168-Y199 AromaticContact CE2-CD2 3.7Å; F168-Y199 HydrophobicContact CE2-CD2 3.7Å; F168-Y199 AromaticContact CE2-CE2 3.99Å; F168-Y199 HydrophobicContact CE2-CE2 3.99Å; F168-Y199 HydrophobicContact CE2-CG 4.42Å; F168-Y199 HydrophobicContact CG-CD2 4.21Å; F168-Y199 HydrophobicContact CZ-CD2 4.44Å; F168-V200 HydrophobicContact CB-CG2 4.4Å
169	E	97.3	Very high	95.5	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.009	15%	0.148	C	C	.	.	H	α-helix	trans	-61.8	-51.5	174	-70.3	-171.6	173.1	0	0	110	Y159 R165 L171 L172 E173 V200 Q201 R202	Y159-E169 WeakPolarHBondContact CD1-OE2 3.05Å; Y159-E169 HydrophobicContact CE1-CB 4.01Å; Y159-E169 VanDerWaalsContact CE1-OE2 3.26Å; Y159-E169 WeakPolarHBondContact CE1-OE2 3.35Å; R165-E169 HydrophobicContact CG-CG 4.01Å; R165-E169 IonicContact CZ-OE1 3.37Å; R165-E169 IonicContact CZ-OE2 2.78Å; R165-E169 IonicContact NE-OE1 2.73Å; R165-E169 PolarHBondContact NE-OE1 3.41Å; R165-E169 IonicContact NE-OE2 3.92Å; R165-E169 PolarHBondContact NE-OE2 2.8Å; R165-E169 IonicContact NH2-OE1 2.85Å; R165-E169 PolarHBondContact NH2-OE1 3.31Å; R165-E169 IonicContact NH2-OE2 2.63Å; R165-E169 WeakPolarHBondContact O-CB 3.45Å; R165-E169 WeakPolarHBondContact O-CG 3.49Å; R165-E169 PolarHBondContact O-N 3.36Å; E169-L171 PolarHBondContact O-N 2.72Å; E169-L172 PolarHBondContact O-N 2.78Å; E169-E173 WeakPolarHBondContact O-CB 3.36Å; E169-E173 VanDerWaalsContact O-CG 3.25Å; E169-E173 WeakPolarHBondContact O-CG 3.42Å; E169-E173 PolarHBondContact O-N 2.65Å; E169-V200 HydrophobicContact CG-CB 4.39Å; E169-V200 HydrophobicContact CG-CG1 4.3Å; E169-V200 HydrophobicContact CG-CG2 4.2Å; E169-Q201 WeakPolarHBondContact OE1-CA 3.37Å; E169-Q201 PolarHBondContact OE1-N 3.22Å; E169-R202 VanDerWaalsContact CD-O 3.25Å; E169-R202 WeakPolarHBondContact CG-O 3.4Å; E169-R202 PolarHBondContact OE1-N 3.29Å; E169-R202 IonicContact OE2-NE 3.13Å; E169-R202 IonicContact OE2-NH2 2.65Å; E169-R202 PolarHBondContact OE2-NH2 3.09Å
170	R	96.2	Very high	95.5	Very high	42 Å²	42	27.3 Å²	27.3	16%	0.158	15%	0.151	C	C	.	.	H	α-helix	trans	-63	-40.8	179.1	-73.7	-64.9	-54.8	132.6	9.2	113.4	W151 I154 Y159 A166 E173 E174	W151-R170 HydrophobicContact CD2-CB 4.36Å; W151-R170 HydrophobicContact CE3-CB 4.44Å; W151-R170 HydrophobicContact CH2-CB 3.69Å; W151-R170 HydrophobicContact CZ2-CB 3.57Å; W151-R170 HydrophobicContact CZ3-CB 4.13Å; I154-R170 HydrophobicContact CD1-CG 4.24Å; Y159-R170 VanDerWaalsContact OH-CD 3.24Å; Y159-R170 WeakPolarHBondContact OH-CD 3.49Å; Y159-R170 WeakPolarHBondContact OH-CG 3.47Å; A166-R170 VanDerWaalsContact O-CB 3.23Å; A166-R170 WeakPolarHBondContact O-CB 3.43Å; A166-R170 WeakPolarHBondContact O-CG 3.35Å; A166-R170 PolarHBondContact O-N 3.18Å; A166-R170 VanDerWaalsContact O-N 3.11Å; R170-E173 IonicContact CZ-OE2 2.99Å; R170-E173 IonicContact NH1-OE2 2.66Å; R170-E173 PolarHBondContact NH1-OE2 3.12Å; R170-E174 VanDerWaalsContact O-CB 3.31Å; R170-E174 WeakPolarHBondContact O-CB 3.43Å; R170-E174 PolarHBondContact O-N 3.15Å
171	L	96.1	Very high	95.6	Very high	16 Å²	16	22.1 Å²	22.1	8%	0.084	12%	0.124	C	C	.	.	H	α-helix	trans	-62.3	-46.8	177.1	177.6	68.9	0	0	0	110.9	L130 W151 Y167 E169 E174 I175	L130-L171 HydrophobicContact CD1-CD2 3.29Å; W151-L171 HydrophobicContact CH2-CB 4.39Å; Y167-L171 HydrophobicContact CE1-CD2 3.94Å; Y167-L171 WeakPolarHBondContact O-CB 3.08Å; Y167-L171 PolarHBondContact O-N 3.34Å; E169-L171 PolarHBondContact O-N 2.72Å; L171-E174 PolarHBondContact O-N 3.02Å; L171-I175 HydrophobicContact CD1-CD1 3.99Å; L171-I175 HydrophobicContact CD1-CG1 4.35Å; L171-I175 HydrophobicContact CG-CD1 3.89Å; L171-I175 VanDerWaalsContact O-CG1 3.27Å; L171-I175 WeakPolarHBondContact O-CG1 3.14Å; L171-I175 PolarHBondContact O-N 3.46Å
172	L	97.3	Very high	95.4	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-68	-40.4	-178.7	-174.1	55.5	0	0	0	111.3	F168 E169 I175 I176 L189 V193 V200 L203 L252	F168-L172 WeakPolarHBondContact O-CB 3.05Å; F168-L172 PolarHBondContact O-N 3.1Å; E169-L172 PolarHBondContact O-N 2.78Å; L172-I175 PolarHBondContact O-N 3.48Å; L172-I176 HydrophobicContact CD1-CD1 3.85Å; L172-I176 HydrophobicContact CD1-CG1 4.18Å; L172-I176 HydrophobicContact CG-CD1 3.83Å; L172-I176 WeakPolarHBondContact O-CB 3.25Å; L172-I176 VanDerWaalsContact O-CG1 3.25Å; L172-I176 WeakPolarHBondContact O-CG1 3.43Å; L172-I176 PolarHBondContact O-N 2.92Å; L172-L189 HydrophobicContact CD1-CD1 3.63Å; L172-V193 HydrophobicContact CD1-CG2 3.67Å; L172-V193 HydrophobicContact CD2-CG2 4.36Å; L172-V200 HydrophobicContact CD2-CG2 4.2Å; L172-L203 HydrophobicContact CB-CD2 4.19Å; L172-L203 HydrophobicContact CD2-CD1 4.04Å; L172-L203 HydrophobicContact CD2-CD2 4.04Å; L172-L203 HydrophobicContact CG-CD2 4.12Å; L172-L252 HydrophobicContact CD2-CD1 4.04Å; L172-L252 HydrophobicContact CD2-CD2 4.24Å
173	E	97.2	Very high	95.2	Very high	13 Å²	13	26.9 Å²	26.9	6%	0.061	16%	0.162	C	C	.	.	H	α-helix	trans	-55.5	-49.9	170.5	-73.1	172.5	175.8	0	0	111.4	E169 R170 I175 I176 E177 L203 N204 I205	E169-E173 WeakPolarHBondContact O-CB 3.36Å; E169-E173 VanDerWaalsContact O-CG 3.25Å; E169-E173 WeakPolarHBondContact O-CG 3.42Å; E169-E173 PolarHBondContact O-N 2.65Å; R170-E173 IonicContact CZ-OE2 2.99Å; R170-E173 IonicContact NH1-OE2 2.66Å; R170-E173 PolarHBondContact NH1-OE2 3.12Å; E173-I175 PolarHBondContact O-N 2.98Å; E173-I176 PolarHBondContact O-N 3.32Å; E173-E177 WeakPolarHBondContact O-CB 3.31Å; E173-E177 WeakPolarHBondContact O-CG 3.37Å; E173-E177 PolarHBondContact O-N 3.44Å; E173-L203 HydrophobicContact CG-CD2 4.04Å; E173-N204 WeakPolarHBondContact OE1-CB 3.36Å; E173-N204 PolarHBondContact OE1-N 2.92Å; E173-I205 HydrophobicContact CB-CD1 4.3Å; E173-I205 HydrophobicContact CG-CD1 4.02Å
174	E	95.9	Very high	95	Very high	73 Å²	73	27.7 Å²	27.7	34%	0.341	17%	0.171	S	C	.	.	H	α-helix	trans	-63	-43.2	-178.5	-173.8	179	147.5	0	0	112.6	W151 R170 L171 T178	W151-E174 PolarHBondContact NE1-OE2 3.32Å; R170-E174 VanDerWaalsContact O-CB 3.31Å; R170-E174 WeakPolarHBondContact O-CB 3.43Å; R170-E174 PolarHBondContact O-N 3.15Å; L171-E174 PolarHBondContact O-N 3.02Å; E174-T178 WeakPolarHBondContact O-CB 3.34Å; E174-T178 WeakPolarHBondContact O-CG2 3.14Å; E174-T178 PolarHBondContact O-N 3.44Å; E174-T178 VanDerWaalsContact O-N 3.1Å; E174-T178 PolarHBondContact O-OG1 2.88Å
175	I	96.5	Very high	94.7	Very high	24 Å²	24	35.4 Å²	35.4	12%	0.123	20%	0.201	C	C	.	.	H	α-helix	trans	-64.4	-42.8	178	-64.2	167.6	0	0	0	110.4	L171 L172 E173 T178 F179 L189 C192	L171-I175 HydrophobicContact CD1-CD1 3.99Å; L171-I175 HydrophobicContact CD1-CG1 4.35Å; L171-I175 HydrophobicContact CG-CD1 3.89Å; L171-I175 VanDerWaalsContact O-CG1 3.27Å; L171-I175 WeakPolarHBondContact O-CG1 3.14Å; L171-I175 PolarHBondContact O-N 3.46Å; L172-I175 PolarHBondContact O-N 3.48Å; E173-I175 PolarHBondContact O-N 2.98Å; I175-T178 PolarHBondContact O-OG1 2.92Å; I175-F179 WeakPolarHBondContact O-CB 3.44Å; I175-F179 PolarHBondContact O-N 3.02Å; I175-F179 VanDerWaalsContact O-N 3.12Å; I175-L189 HydrophobicContact CB-CD1 4.38Å; I175-L189 HydrophobicContact CG2-CB 4Å; I175-L189 HydrophobicContact CG2-CD1 3.68Å; I175-L189 HydrophobicContact CG2-CG 4.34Å; I175-C192 HydrophobicContact CD1-CB 3.86Å
176	I	97.3	Very high	94.5	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-70.2	-44.7	179.3	-67	169.7	0	0	0	110.9	L172 E173 T178 F179 L189 I205 L208 L243 L245 I248	L172-I176 HydrophobicContact CD1-CD1 3.85Å; L172-I176 HydrophobicContact CD1-CG1 4.18Å; L172-I176 HydrophobicContact CG-CD1 3.83Å; L172-I176 WeakPolarHBondContact O-CB 3.25Å; L172-I176 VanDerWaalsContact O-CG1 3.25Å; L172-I176 WeakPolarHBondContact O-CG1 3.43Å; L172-I176 PolarHBondContact O-N 2.92Å; E173-I176 PolarHBondContact O-N 3.32Å; I176-T178 PolarHBondContact O-N 2.86Å; I176-F179 WeakPolarHBondContact O-CB 3.25Å; I176-F179 PolarHBondContact O-N 3.03Å; I176-F179 VanDerWaalsContact O-N 3.09Å; I176-L189 HydrophobicContact CG1-CD1 3.96Å; I176-I205 HydrophobicContact CB-CD1 4.01Å; I176-I205 HydrophobicContact CD1-CD1 3.98Å; I176-I205 HydrophobicContact CG2-CD1 3.92Å; I176-I205 HydrophobicContact CG2-CG1 4.26Å; I176-I205 HydrophobicContact CG2-CG2 3.73Å; I176-L208 HydrophobicContact CG2-CD2 3.64Å; I176-L243 HydrophobicContact CG2-CD2 4.29Å; I176-L245 HydrophobicContact CG2-CD2 4.21Å; I176-I248 HydrophobicContact CD1-CD1 4.12Å; I176-I248 HydrophobicContact CD1-CG2 4.44Å; I176-I248 HydrophobicContact CG1-CD1 4.29Å
177	E	96.6	Very high	94.3	Very high	10 Å²	10	38.6 Å²	38.6	5%	0.047	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-20.9	179.1	-76.3	-176.4	163.7	0	0	112.7	E173 I205 R206 Q207	E173-E177 WeakPolarHBondContact O-CB 3.31Å; E173-E177 WeakPolarHBondContact O-CG 3.37Å; E173-E177 PolarHBondContact O-N 3.44Å; E177-I205 HydrophobicContact CG-CG2 4.16Å; E177-R206 WeakPolarHBondContact OE1-CA 3.24Å; E177-R206 WeakPolarHBondContact OE1-CB 3.46Å; E177-R206 WeakPolarHBondContact OE1-CG 3.43Å; E177-R206 IonicContact OE1-CZ 2.77Å; E177-R206 PolarHBondContact OE1-N 2.88Å; E177-R206 IonicContact OE1-NE 3.53Å; E177-R206 PolarHBondContact OE1-NE 3.07Å; E177-R206 IonicContact OE1-NH2 3.73Å; E177-R206 IonicContact OE2-CZ 3.5Å; E177-R206 IonicContact OE2-NE 3.97Å; E177-R206 IonicContact OE2-NH2 3.43Å; E177-R206 PolarHBondContact OE2-NH2 3.23Å; E177-Q207 HydrophobicContact CB-CG 3.75Å; E177-Q207 HydrophobicContact CG-CG 3.92Å; E177-Q207 WeakPolarHBondContact O-CG 3.34Å; E177-Q207 PolarHBondContact O-NE2 2.6Å
178	T	94.9	Very high	94	Very high	81 Å²	81	43 Å²	43	50%	0.497	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	2.1	177.5	59	0	0	0	0	113.2	E174 I175 I176 V180	E174-T178 WeakPolarHBondContact O-CB 3.34Å; E174-T178 WeakPolarHBondContact O-CG2 3.14Å; E174-T178 PolarHBondContact O-N 3.44Å; E174-T178 VanDerWaalsContact O-N 3.1Å; E174-T178 PolarHBondContact O-OG1 2.88Å; I175-T178 PolarHBondContact O-OG1 2.92Å; I176-T178 PolarHBondContact O-N 2.86Å; T178-V180 PolarHBondContact O-N 3.29Å
179	F	95.9	Very high	93.9	Very high	10 Å²	10	43 Å²	43	4%	0.044	25%	0.246	C	C	.	.			trans	-75.1	118.5	-178.9	-166.2	-82.6	0	0	0	110.8	I175 I176 T184 A186 L189 L243	I175-F179 WeakPolarHBondContact O-CB 3.44Å; I175-F179 PolarHBondContact O-N 3.02Å; I175-F179 VanDerWaalsContact O-N 3.12Å; I176-F179 WeakPolarHBondContact O-CB 3.25Å; I176-F179 PolarHBondContact O-N 3.03Å; I176-F179 VanDerWaalsContact O-N 3.09Å; F179-T184 HydrophobicContact CD2-CG2 3.43Å; F179-T184 VanDerWaalsContact CD2-CG2 3.43Å; F179-T184 HydrophobicContact CE2-CG2 3.58Å; F179-T184 HydrophobicContact CG-CG2 4.14Å; F179-T184 HydrophobicContact CZ-CG2 4.39Å; F179-A186 HydrophobicContact CE2-CB 4.29Å; F179-A186 HydrophobicContact CZ-CB 4.04Å; F179-L189 HydrophobicContact CD2-CD2 3.86Å; F179-L189 HydrophobicContact CE2-CD2 4.04Å; F179-L243 HydrophobicContact CB-CD2 4.11Å; F179-L243 HydrophobicContact CD1-CB 3.89Å; F179-L243 HydrophobicContact CD1-CD1 3.94Å; F179-L243 HydrophobicContact CD1-CD2 3.95Å; F179-L243 HydrophobicContact CD1-CG 4.14Å; F179-L243 HydrophobicContact CD2-CD2 4.42Å; F179-L243 HydrophobicContact CE1-CB 4.34Å; F179-L243 HydrophobicContact CE1-CD1 3.71Å; F179-L243 HydrophobicContact CE1-CG 4.4Å; F179-L243 HydrophobicContact CG-CD1 4.5Å; F179-L243 HydrophobicContact CG-CD2 3.89Å; F179-L243 HydrophobicContact CZ-CD1 4.09Å
180	V	93.1	Very high	93.8	Very high	26 Å²	26	46.4 Å²	46.4	16%	0.158	26%	0.259	C	S	.	.			trans	-103.4	112.7	175.8	-178.6	0	0	0	0	109.1	T178 G182 T183 T184 L209 L212	T178-V180 PolarHBondContact O-N 3.29Å; V180-G182 PolarHBondContact O-N 3.43Å; V180-T183 PolarHBondContact O-N 3.28Å; V180-T184 PolarHBondContact N-OG1 2.94Å; V180-T184 PolarHBondContact O-N 3.49Å; V180-T184 PolarHBondContact O-OG1 3.01Å; V180-L209 HydrophobicContact CG2-CB 4.23Å; V180-L209 HydrophobicContact CG2-CD1 3.66Å; V180-L212 HydrophobicContact CG1-CD1 4.48Å; V180-L212 HydrophobicContact CG1-CD2 4.39Å; V180-L212 HydrophobicContact CG1-CG 3.91Å
181	P	91.1	Very high	93.7	Very high	19 Å²	19	49.1 Å²	49.1	12%	0.123	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	136	178.2	-25.8	34.1	0	0	0	112.5	T183 L209 P211	P181-T183 PolarHBondContact O-N 2.89Å; P181-T183 VanDerWaalsContact O-N 3.14Å; P181-L209 WeakPolarHBondContact CD-O 3.2Å; P181-P211 HydrophobicContact CB-CB 4.15Å
182	G	86.9	Confident	93.6	Very high	90 Å²	90	48.8 Å²	48.8	93%	0.928	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	-9.6	-177.8	0	0	0	0	0	115.8	V180	V180-G182 PolarHBondContact O-N 3.43Å
183	T	89.7	Confident	93.6	Very high	92 Å²	92	48.7 Å²	48.7	56%	0.564	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	-45.2	-180	-52.9	0	0	0	0	112	V180 P181	V180-T183 PolarHBondContact O-N 3.28Å; P181-T183 PolarHBondContact O-N 2.89Å; P181-T183 VanDerWaalsContact O-N 3.14Å
184	T	91.7	Very high	93.5	Very high	53 Å²	53	52 Å²	52	33%	0.325	29%	0.29	S	S	.	.	S	Bend	trans	-77.5	138.2	-177.9	-57.3	0	0	0	0	111.5	F179 V180 A186	F179-T184 HydrophobicContact CD2-CG2 3.43Å; F179-T184 VanDerWaalsContact CD2-CG2 3.43Å; F179-T184 HydrophobicContact CE2-CG2 3.58Å; F179-T184 HydrophobicContact CG-CG2 4.14Å; F179-T184 HydrophobicContact CZ-CG2 4.39Å; V180-T184 PolarHBondContact N-OG1 2.94Å; V180-T184 PolarHBondContact O-N 3.49Å; V180-T184 PolarHBondContact O-OG1 3.01Å; T184-A186 PolarHBondContact O-N 2.81Å; T184-A186 VanDerWaalsContact O-N 3.08Å
185	Y	90.1	Very high	93.4	Very high	168 Å²	168	51 Å²	51	66%	0.659	28%	0.284	S	S	*	.			trans	-72.8	99.6	-179.3	-173.6	-115	0	0	0	111.9	P187 H188	Y185-P187 VanDerWaalsContact C-CD 3.47Å; Y185-P187 HydrophobicContact CD1-CB 4.3Å; Y185-P187 HydrophobicContact CD1-CG 4.39Å; Y185-P187 HydrophobicContact CD2-CG 4.32Å; Y185-P187 HydrophobicContact CE1-CB 3.64Å; Y185-P187 HydrophobicContact CE1-CG 3.84Å; Y185-P187 HydrophobicContact CE2-CB 4.46Å; Y185-P187 HydrophobicContact CE2-CG 3.74Å; Y185-P187 VanDerWaalsContact CZ-CG 3.47Å; Y185-H188 HydrophobicContact CD1-CB 4.15Å; Y185-H188 PolarHBondContact O-N 3.33Å
186	A	90.8	Very high	93.3	Very high	27 Å²	27	50 Å²	50	22%	0.223	28%	0.279	C	S	.	.	H	α-helix	trans	-56.4	-38.2	-176.1	0	0	0	0	0	116.2	F179 T184 H188 L189 Y190	F179-A186 HydrophobicContact CE2-CB 4.29Å; F179-A186 HydrophobicContact CZ-CB 4.04Å; T184-A186 PolarHBondContact O-N 2.81Å; T184-A186 VanDerWaalsContact O-N 3.08Å; A186-H188 VanDerWaalsContact C-N 3.25Å; A186-H188 PolarHBondContact O-N 3.13Å; A186-L189 WeakPolarHBondContact O-CB 3.44Å; A186-L189 PolarHBondContact O-N 3.29Å; A186-L189 VanDerWaalsContact O-N 3.11Å; A186-Y190 HydrophobicContact CB-CD2 4.43Å; A186-Y190 HydrophobicContact CB-CE2 3.81Å; A186-Y190 WeakPolarHBondContact O-CD2 3.24Å; A186-Y190 PolarHBondContact O-N 3.35Å; A186-Y190 VanDerWaalsContact O-N 3.16Å
187	P	92.2	Very high	93.2	Very high	50 Å²	50	50.6 Å²	50.6	33%	0.325	28%	0.284	S	S	.	.	H	α-helix	trans	-59.4	-32.6	-178.1	-28.3	37.7	0	0	0	114.3	Y185 L189 Y190 E191	Y185-P187 VanDerWaalsContact C-CD 3.47Å; Y185-P187 HydrophobicContact CD1-CB 4.3Å; Y185-P187 HydrophobicContact CD1-CG 4.39Å; Y185-P187 HydrophobicContact CD2-CG 4.32Å; Y185-P187 HydrophobicContact CE1-CB 3.64Å; Y185-P187 HydrophobicContact CE1-CG 3.84Å; Y185-P187 HydrophobicContact CE2-CB 4.46Å; Y185-P187 HydrophobicContact CE2-CG 3.74Å; Y185-P187 VanDerWaalsContact CZ-CG 3.47Å; P187-L189 PolarHBondContact O-N 3.06Å; P187-Y190 PolarHBondContact O-N 2.93Å; P187-E191 WeakPolarHBondContact O-CG 3.48Å; P187-E191 PolarHBondContact O-N 3.39Å
188	H	91.2	Very high	93.1	Very high	103 Å²	103	53.6 Å²	53.6	48%	0.477	30%	0.304	S	S	.	.	H	α-helix	trans	-62.5	-43.9	176.3	-179.8	61	0	0	0	112	Y185 A186 Y190 E191 C192	Y185-H188 HydrophobicContact CD1-CB 4.15Å; Y185-H188 PolarHBondContact O-N 3.33Å; A186-H188 VanDerWaalsContact C-N 3.25Å; A186-H188 PolarHBondContact O-N 3.13Å; H188-Y190 VanDerWaalsContact C-N 3.35Å; H188-Y190 PolarHBondContact O-N 3.29Å; H188-E191 PolarHBondContact O-N 2.91Å; H188-C192 PolarHBondContact O-N 2.88Å; H188-C192 PolarHBondContact O-SG 3.1Å
189	L	94.4	Very high	93	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-59.3	-46.2	173.8	167.1	62.1	0	0	0	110.8	L172 I175 I176 F179 A186 P187 E191 C192 V193 L243 I248	L172-L189 HydrophobicContact CD1-CD1 3.63Å; I175-L189 HydrophobicContact CB-CD1 4.38Å; I175-L189 HydrophobicContact CG2-CB 4Å; I175-L189 HydrophobicContact CG2-CD1 3.68Å; I175-L189 HydrophobicContact CG2-CG 4.34Å; I176-L189 HydrophobicContact CG1-CD1 3.96Å; F179-L189 HydrophobicContact CD2-CD2 3.86Å; F179-L189 HydrophobicContact CE2-CD2 4.04Å; A186-L189 WeakPolarHBondContact O-CB 3.44Å; A186-L189 PolarHBondContact O-N 3.29Å; A186-L189 VanDerWaalsContact O-N 3.11Å; P187-L189 PolarHBondContact O-N 3.06Å; L189-E191 VanDerWaalsContact C-N 3.33Å; L189-E191 PolarHBondContact O-N 3.44Å; L189-C192 PolarHBondContact O-N 3.1Å; L189-V193 HydrophobicContact CD1-CG2 4.06Å; L189-V193 VanDerWaalsContact O-CG2 3.26Å; L189-V193 WeakPolarHBondContact O-CG2 3.47Å; L189-V193 PolarHBondContact O-N 3.18Å; L189-L243 HydrophobicContact CD2-CD1 4.36Å; L189-L243 HydrophobicContact CD2-CD2 3.69Å; L189-I248 HydrophobicContact CD1-CD1 4.33Å; L189-I248 HydrophobicContact CD2-CD1 3.76Å; L189-I248 HydrophobicContact CG-CD1 4.27Å
190	Y	94.9	Very high	93	Very high	73 Å²	73	51.9 Å²	51.9	29%	0.286	29%	0.289	S	S	.	.	H	α-helix	trans	-66.7	-32.6	-179.7	-60	-42.4	0	0	0	113.7	A186 P187 H188 N194 P247 I248	A186-Y190 HydrophobicContact CB-CD2 4.43Å; A186-Y190 HydrophobicContact CB-CE2 3.81Å; A186-Y190 WeakPolarHBondContact O-CD2 3.24Å; A186-Y190 PolarHBondContact O-N 3.35Å; A186-Y190 VanDerWaalsContact O-N 3.16Å; P187-Y190 PolarHBondContact O-N 2.93Å; H188-Y190 VanDerWaalsContact C-N 3.35Å; H188-Y190 PolarHBondContact O-N 3.29Å; Y190-N194 VanDerWaalsContact O-CG 3.29Å; Y190-N194 PolarHBondContact O-N 3.33Å; Y190-N194 PolarHBondContact O-ND2 3.35Å; Y190-P247 HydrophobicContact CE1-CB 3.82Å; Y190-P247 HydrophobicContact CE1-CG 3.67Å; Y190-I248 HydrophobicContact CE1-CG1 4.28Å
191	E	93.9	Very high	93.1	Very high	100 Å²	100	53 Å²	53	47%	0.467	29%	0.292	S	S	.	.	H	α-helix	trans	-65.2	-48.3	170.4	-75.4	-178.5	-171.1	0	0	111.2	P187 H188 L189 V193 N194 Y195	P187-E191 WeakPolarHBondContact O-CG 3.48Å; P187-E191 PolarHBondContact O-N 3.39Å; H188-E191 PolarHBondContact O-N 2.91Å; L189-E191 VanDerWaalsContact C-N 3.33Å; L189-E191 PolarHBondContact O-N 3.44Å; E191-V193 VanDerWaalsContact C-N 3.27Å; E191-V193 PolarHBondContact O-N 3.2Å; E191-N194 WeakPolarHBondContact O-CB 3.43Å; E191-N194 PolarHBondContact O-N 2.95Å; E191-Y195 HydrophobicContact CB-CE2 4.24Å; E191-Y195 WeakPolarHBondContact O-CD2 3.44Å; E191-Y195 WeakPolarHBondContact O-CE2 3.34Å; E191-Y195 PolarHBondContact O-N 3.19Å
192	C	94.5	Very high	93.3	Very high	9 Å²	9	54.7 Å²	54.7	6%	0.061	30%	0.296	C	S	.	.	H	α-helix	trans	-57.5	-40.5	175.3	-74	0	0	0	0	112.2	I175 H188 L189 N194 Y195 A196	I175-C192 HydrophobicContact CD1-CB 3.86Å; H188-C192 PolarHBondContact O-N 2.88Å; H188-C192 PolarHBondContact O-SG 3.1Å; L189-C192 PolarHBondContact O-N 3.1Å; C192-N194 VanDerWaalsContact C-N 3.32Å; C192-N194 PolarHBondContact O-N 3.42Å; C192-Y195 PolarHBondContact O-N 2.76Å; C192-A196 VanDerWaalsContact O-CB 3.29Å; C192-A196 WeakPolarHBondContact O-CB 3.25Å; C192-A196 PolarHBondContact O-N 3.48Å
193	V	96.4	Very high	93.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.3	-39.9	175.1	171.3	0	0	0	0	111.5	L172 L189 E191 Y195 A196 A197 I248 K251 L252	L172-V193 HydrophobicContact CD1-CG2 3.67Å; L172-V193 HydrophobicContact CD2-CG2 4.36Å; L189-V193 HydrophobicContact CD1-CG2 4.06Å; L189-V193 VanDerWaalsContact O-CG2 3.26Å; L189-V193 WeakPolarHBondContact O-CG2 3.47Å; L189-V193 PolarHBondContact O-N 3.18Å; E191-V193 VanDerWaalsContact C-N 3.27Å; E191-V193 PolarHBondContact O-N 3.2Å; V193-Y195 VanDerWaalsContact C-N 3.28Å; V193-Y195 PolarHBondContact O-N 3.32Å; V193-A196 PolarHBondContact O-N 3.05Å; V193-A197 VanDerWaalsContact O-CB 3.23Å; V193-A197 WeakPolarHBondContact O-CB 3.46Å; V193-A197 PolarHBondContact O-N 3.09Å; V193-I248 HydrophobicContact CG1-CG2 4.39Å; V193-I248 HydrophobicContact CG2-CB 4.46Å; V193-I248 HydrophobicContact CG2-CG1 4.29Å; V193-I248 HydrophobicContact CG2-CG2 3.8Å; V193-K251 HydrophobicContact CG1-CB 3.82Å; V193-K251 HydrophobicContact CG1-CD 3.9Å; V193-K251 HydrophobicContact CG1-CG 4.45Å; V193-L252 HydrophobicContact CG1-CD2 4.24Å
194	N	95.2	Very high	94.1	Very high	81 Å²	81	49.4 Å²	49.4	43%	0.433	24%	0.243	S	C	.	.	H	α-helix	trans	-61.3	-37.9	177.5	-65.6	-32.6	0	0	0	112.3	Y190 E191 C192 K251	Y190-N194 VanDerWaalsContact O-CG 3.29Å; Y190-N194 PolarHBondContact O-N 3.33Å; Y190-N194 PolarHBondContact O-ND2 3.35Å; E191-N194 WeakPolarHBondContact O-CB 3.43Å; E191-N194 PolarHBondContact O-N 2.95Å; C192-N194 VanDerWaalsContact C-N 3.32Å; C192-N194 PolarHBondContact O-N 3.42Å; N194-K251 WeakPolarHBondContact OD1-CD 3.26Å; N194-K251 PolarHBondContact OD1-NZ 2.98Å
195	Y	94	Very high	94.4	Very high	54 Å²	54	46.9 Å²	46.9	21%	0.212	23%	0.228	C	C	.	.	H	α-helix	trans	-78.3	-34.5	179	-53.2	-49.6	0	0	0	112.4	L130 K131 E191 C192 V193	L130-Y195 HydrophobicContact CB-CD2 4.04Å; L130-Y195 HydrophobicContact CB-CG 4.41Å; K131-Y195 HydrophobicContact CB-CE1 3.94Å; K131-Y195 HydrophobicContact CB-CE2 4.31Å; K131-Y195 WeakPolarHBondContact CB-OH 3.47Å; K131-Y195 HydrophobicContact CG-CE1 3.99Å; K131-Y195 WeakPolarHBondContact CG-OH 3.46Å; E191-Y195 HydrophobicContact CB-CE2 4.24Å; E191-Y195 WeakPolarHBondContact O-CD2 3.44Å; E191-Y195 WeakPolarHBondContact O-CE2 3.34Å; E191-Y195 PolarHBondContact O-N 3.19Å; C192-Y195 PolarHBondContact O-N 2.76Å; V193-Y195 VanDerWaalsContact C-N 3.28Å; V193-Y195 PolarHBondContact O-N 3.32Å
196	A	95.2	Very high	94.6	Very high	2 Å²	2	43.4 Å²	43.4	2%	0.017	21%	0.213	C	C	.	.	H	α-helix	trans	-82	-27.5	-176.8	0	0	0	0	0	113.6	F168 C192 V193 P198 Y199 V200	F168-A196 HydrophobicContact CB-CB 4.04Å; F168-A196 HydrophobicContact CD1-CB 3.72Å; F168-A196 HydrophobicContact CG-CB 4.18Å; C192-A196 VanDerWaalsContact O-CB 3.29Å; C192-A196 WeakPolarHBondContact O-CB 3.25Å; C192-A196 PolarHBondContact O-N 3.48Å; V193-A196 PolarHBondContact O-N 3.05Å; A196-P198 VanDerWaalsContact C-N 3.35Å; A196-P198 VanDerWaalsContact O-N 3.14Å; A196-Y199 PolarHBondContact O-N 3.39Å; A196-V200 HydrophobicContact CB-CG2 3.89Å; A196-V200 WeakPolarHBondContact O-CG2 3.19Å; A196-V200 PolarHBondContact O-N 2.97Å; A196-V200 VanDerWaalsContact O-N 3.13Å
197	A	94.8	Very high	94.9	Very high	14 Å²	14	43.5 Å²	43.5	12%	0.116	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49	-41.1	-170.9	0	0	0	0	0	115.9	V193 Y199 K251 L252	V193-A197 VanDerWaalsContact O-CB 3.23Å; V193-A197 WeakPolarHBondContact O-CB 3.46Å; V193-A197 PolarHBondContact O-N 3.09Å; A197-Y199 PolarHBondContact O-N 3.29Å; A197-K251 WeakPolarHBondContact CB-O 3.38Å; A197-L252 HydrophobicContact CB-CD2 4.05Å
198	P	93.9	Very high	95	Very high	72 Å²	72	41.2 Å²	41.2	47%	0.468	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-26.7	178.8	-21.9	34.6	0	0	0	113.8	A196 N254	A196-P198 VanDerWaalsContact C-N 3.35Å; A196-P198 VanDerWaalsContact O-N 3.14Å; P198-N254 PolarHBondContact O-ND2 3.43Å
199	Y	94.2	Very high	95.1	Very high	55 Å²	55	37.9 Å²	37.9	22%	0.216	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-24.5	-166.8	-51.5	-67.8	0	0	0	113.6	S134 K164 R165 F168 A196 A197 Q201	S134-Y199 PolarHBondContact O-OH 3.21Å; K164-Y199 HydrophobicContact CD-CD1 4.19Å; K164-Y199 HydrophobicContact CD-CE1 3.92Å; K164-Y199 HydrophobicContact CG-CD1 4.36Å; K164-Y199 PolarHBondContact NZ-OH 3.26Å; R165-Y199 WeakPolarHBondContact CG-O 3.4Å; F168-Y199 AromaticContact CD2-CD2 3.55Å; F168-Y199 HydrophobicContact CD2-CD2 3.55Å; F168-Y199 HydrophobicContact CD2-CE2 4.31Å; F168-Y199 AromaticContact CD2-CG 3.98Å; F168-Y199 HydrophobicContact CD2-CG 3.98Å; F168-Y199 AromaticContact CE2-CD2 3.7Å; F168-Y199 HydrophobicContact CE2-CD2 3.7Å; F168-Y199 AromaticContact CE2-CE2 3.99Å; F168-Y199 HydrophobicContact CE2-CE2 3.99Å; F168-Y199 HydrophobicContact CE2-CG 4.42Å; F168-Y199 HydrophobicContact CG-CD2 4.21Å; F168-Y199 HydrophobicContact CZ-CD2 4.44Å; A196-Y199 PolarHBondContact O-N 3.39Å; A197-Y199 PolarHBondContact O-N 3.29Å; Y199-Q201 PolarHBondContact O-N 3.34Å
200	V	95.5	Very high	94.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.183	C	C	.	.			trans	-75.4	118.9	-177.8	173.2	0	0	0	0	110.3	F168 E169 L172 A196 L203 L252 N254 L255	F168-V200 HydrophobicContact CB-CG2 4.4Å; E169-V200 HydrophobicContact CG-CB 4.39Å; E169-V200 HydrophobicContact CG-CG1 4.3Å; E169-V200 HydrophobicContact CG-CG2 4.2Å; L172-V200 HydrophobicContact CD2-CG2 4.2Å; A196-V200 HydrophobicContact CB-CG2 3.89Å; A196-V200 WeakPolarHBondContact O-CG2 3.19Å; A196-V200 PolarHBondContact O-N 2.97Å; A196-V200 VanDerWaalsContact O-N 3.13Å; V200-L203 HydrophobicContact CG1-CD1 4.26Å; V200-L203 HydrophobicContact CG1-CD2 3.84Å; V200-L203 HydrophobicContact CG1-CG 3.72Å; V200-L252 HydrophobicContact CB-CD2 4.25Å; V200-L252 HydrophobicContact CG1-CD1 4.15Å; V200-L252 HydrophobicContact CG1-CD2 4.43Å; V200-N254 CarbonylContact O-C 3.48Å; V200-L255 HydrophobicContact CG1-CD1 3.85Å
201	Q	95.2	Very high	94.6	Very high	50 Å²	50	36 Å²	36	23%	0.234	18%	0.177	C	C	.	.			trans	-115.8	-21.6	174.5	-63.1	-177.4	34.1	0	0	112.3	E169 Y199 N254 K256 E257	E169-Q201 WeakPolarHBondContact OE1-CA 3.37Å; E169-Q201 PolarHBondContact OE1-N 3.22Å; Y199-Q201 PolarHBondContact O-N 3.34Å; Q201-N254 WeakPolarHBondContact CA-O 3.42Å; Q201-K256 HydrophobicContact CB-CD 4.49Å; Q201-K256 WeakPolarHBondContact O-CA 3.46Å; Q201-K256 WeakPolarHBondContact O-CB 3.2Å; Q201-K256 PolarHBondContact O-N 3.43Å; Q201-E257 PolarHBondContact O-N 2.77Å
202	R	95.4	Very high	94.1	Very high	54 Å²	54	36.8 Å²	36.8	20%	0.204	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	149.1	172.5	-56.2	170.9	-60.3	175.8	6.6	110.4	Y158 E169 E257	Y158-R202 VanDerWaalsContact C-NH2 3.33Å; Y158-R202 PolarHBondContact O-NH1 2.64Å; Y158-R202 PolarHBondContact O-NH2 3.3Å; E169-R202 VanDerWaalsContact CD-O 3.25Å; E169-R202 WeakPolarHBondContact CG-O 3.4Å; E169-R202 PolarHBondContact OE1-N 3.29Å; E169-R202 IonicContact OE2-NE 3.13Å; E169-R202 IonicContact OE2-NH2 2.65Å; E169-R202 PolarHBondContact OE2-NH2 3.09Å; R202-E257 VanDerWaalsContact CA-O 3.26Å; R202-E257 WeakPolarHBondContact CA-O 3.16Å; R202-E257 HydrophobicContact CB-CB 4.25Å; R202-E257 WeakPolarHBondContact CD-OE2 3.17Å; R202-E257 HydrophobicContact CG-CB 3.81Å; R202-E257 HydrophobicContact CG-CG 3.91Å
203	L	96.6	Very high	93.2	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.016	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	120.3	170.9	-75.2	179.3	0	0	0	109.7	L172 E173 V200 I205 L252 L255 E257 L258 N259	L172-L203 HydrophobicContact CB-CD2 4.19Å; L172-L203 HydrophobicContact CD2-CD1 4.04Å; L172-L203 HydrophobicContact CD2-CD2 4.04Å; L172-L203 HydrophobicContact CG-CD2 4.12Å; E173-L203 HydrophobicContact CG-CD2 4.04Å; V200-L203 HydrophobicContact CG1-CD1 4.26Å; V200-L203 HydrophobicContact CG1-CD2 3.84Å; V200-L203 HydrophobicContact CG1-CG 3.72Å; L203-I205 HydrophobicContact CB-CD1 4.35Å; L203-I205 HydrophobicContact CB-CG1 4.45Å; L203-L252 HydrophobicContact CD1-CD1 3.41Å; L203-L252 VanDerWaalsContact CD1-CD1 3.41Å; L203-L252 HydrophobicContact CG-CD1 4.42Å; L203-L255 HydrophobicContact CB-CD1 4.11Å; L203-L255 HydrophobicContact CD1-CD1 4.21Å; L203-L255 HydrophobicContact CG-CD1 3.82Å; L203-E257 PolarHBondContact N-O 2.76Å; L203-L258 HydrophobicContact CB-CD1 3.97Å; L203-N259 PolarHBondContact O-N 3.35Å
204	N	96.3	Very high	91.6	Very high	68 Å²	68	48.3 Å²	48.3	36%	0.364	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	89.5	173.5	-173.7	15.1	0	0	0	110.3	E173 R206	E173-N204 WeakPolarHBondContact OE1-CB 3.36Å; E173-N204 PolarHBondContact OE1-N 2.92Å; N204-R206 PolarHBondContact O-N 2.95Å
205	I	97.2	Very high	89.8	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	99.8	-179.4	-48.1	-58.9	0	0	0	108.1	E173 I176 E177 L203 Q207 L208 N259 L260 T261	E173-I205 HydrophobicContact CB-CD1 4.3Å; E173-I205 HydrophobicContact CG-CD1 4.02Å; I176-I205 HydrophobicContact CB-CD1 4.01Å; I176-I205 HydrophobicContact CD1-CD1 3.98Å; I176-I205 HydrophobicContact CG2-CD1 3.92Å; I176-I205 HydrophobicContact CG2-CG1 4.26Å; I176-I205 HydrophobicContact CG2-CG2 3.73Å; E177-I205 HydrophobicContact CG-CG2 4.16Å; L203-I205 HydrophobicContact CB-CD1 4.35Å; L203-I205 HydrophobicContact CB-CG1 4.45Å; I205-Q207 VanDerWaalsContact C-N 3.31Å; I205-Q207 WeakPolarHBondContact CG2-O 3.24Å; I205-L208 HydrophobicContact CG2-CD2 3.89Å; I205-L208 HydrophobicContact CG2-CG 3.89Å; I205-N259 PolarHBondContact N-O 2.9Å; I205-L260 HydrophobicContact CB-CD2 3.69Å; I205-L260 HydrophobicContact CG1-CD2 3.68Å; I205-L260 HydrophobicContact CG2-CD2 4.38Å; I205-T261 PolarHBondContact O-N 2.73Å
206	R	95.6	Very high	87.7	Confident	94 Å²	94	56 Å²	56	36%	0.355	27%	0.27	S	S	.	.			trans	-86.9	-6.1	-172	-50	166.3	-62.6	172	-0	112.9	E177 N204 T261 T263 K265	E177-R206 WeakPolarHBondContact OE1-CA 3.24Å; E177-R206 WeakPolarHBondContact OE1-CB 3.46Å; E177-R206 WeakPolarHBondContact OE1-CG 3.43Å; E177-R206 IonicContact OE1-CZ 2.77Å; E177-R206 PolarHBondContact OE1-N 2.88Å; E177-R206 IonicContact OE1-NE 3.53Å; E177-R206 PolarHBondContact OE1-NE 3.07Å; E177-R206 IonicContact OE1-NH2 3.73Å; E177-R206 IonicContact OE2-CZ 3.5Å; E177-R206 IonicContact OE2-NE 3.97Å; E177-R206 IonicContact OE2-NH2 3.43Å; E177-R206 PolarHBondContact OE2-NH2 3.23Å; N204-R206 PolarHBondContact O-N 2.95Å; R206-T261 WeakPolarHBondContact O-CB 3.47Å; R206-T263 WeakPolarHBondContact O-CG2 3.49Å; R206-K265 VanDerWaalsContact O-CE 3.3Å; R206-K265 WeakPolarHBondContact O-CE 3.42Å
207	Q	95.4	Very high	85.2	Confident	30 Å²	30	65.6 Å²	65.6	14%	0.14	31%	0.312	C	S	.	.			trans	-155.2	151	170.6	64.5	173.5	2.2	0	0	110.3	E177 I205 T261 T263 K265	E177-Q207 HydrophobicContact CB-CG 3.75Å; E177-Q207 HydrophobicContact CG-CG 3.92Å; E177-Q207 WeakPolarHBondContact O-CG 3.34Å; E177-Q207 PolarHBondContact O-NE2 2.6Å; I205-Q207 VanDerWaalsContact C-N 3.31Å; I205-Q207 WeakPolarHBondContact CG2-O 3.24Å; Q207-T261 CarbonylContact C-O 3.43Å; Q207-T261 VanDerWaalsContact CA-O 3.3Å; Q207-T261 WeakPolarHBondContact CA-O 3.49Å; Q207-T263 WeakPolarHBondContact CA-O 3.26Å; Q207-T263 HydrophobicContact CB-CG2 4.25Å; Q207-T263 WeakPolarHBondContact CB-O 3.46Å; Q207-K265 HydrophobicContact CB-CG 4.32Å
208	L	94.9	Very high	82.9	Confident	2 Å²	2	72.4 Å²	72.4	1%	0.01	34%	0.341	C	S	.	.			trans	-131	124.9	168.2	-78.3	167.1	0	0	0	105.9	I176 I205 H242 T261 Y262 T263	I176-L208 HydrophobicContact CG2-CD2 3.64Å; I205-L208 HydrophobicContact CG2-CD2 3.89Å; I205-L208 HydrophobicContact CG2-CG 3.89Å; L208-H242 VanDerWaalsContact C-CD2 3.44Å; L208-H242 HydrophobicContact CB-CB 4.28Å; L208-H242 PolarHBondContact O-CD2 2.88Å; L208-H242 PolarHBondContact O-NE2 2.77Å; L208-T261 PolarHBondContact N-O 2.91Å; L208-Y262 HydrophobicContact CB-CD1 4.39Å; L208-Y262 HydrophobicContact CD1-CD1 3.81Å; L208-Y262 HydrophobicContact CD1-CE1 3.47Å; L208-Y262 VanDerWaalsContact CD1-CE1 3.47Å; L208-Y262 HydrophobicContact CD1-CE2 4.28Å; L208-Y262 HydrophobicContact CD1-CG 4.35Å; L208-T263 PolarHBondContact N-O 3.35Å
209	L	93	Very high	80.4	Confident	33 Å²	33	77.7 Å²	77.7	17%	0.173	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-84.3	132.8	-176.2	-56.9	179.2	0	0	0	110.3	V180 P181 H242 V264	V180-L209 HydrophobicContact CG2-CB 4.23Å; V180-L209 HydrophobicContact CG2-CD1 3.66Å; P181-L209 WeakPolarHBondContact CD-O 3.2Å; L209-H242 VanDerWaalsContact C-CD2 3.42Å; L209-H242 PolarHBondContact O-CD2 2.61Å; L209-V264 HydrophobicContact CD2-CB 4.32Å; L209-V264 HydrophobicContact CD2-CG1 3.92Å; L209-V264 HydrophobicContact CD2-CG2 3.87Å
210	P	90.5	Very high	77.7	Confident	11 Å²	11	84.4 Å²	84.4	7%	0.071	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-74	165.2	172.1	30.2	-33.7	0	0	0	110.9	M240 V264 L275	P210-M240 HydrophobicContact CB-CE 3.52Å; P210-M240 HydrophobicContact CG-CE 3.96Å; P210-V264 VanDerWaalsContact CD-CG2 3.43Å; P210-V264 HydrophobicContact CG-CG2 4.19Å; P210-L275 HydrophobicContact CG-CD2 3.86Å
211	P	88	Confident	75.2	Confident	23 Å²	23	91.4 Å²	91.4	15%	0.149	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-63.4	151.1	173.9	20.8	-26.8	0	0	0	111.8	P181 K213 Q239 D241	P181-P211 HydrophobicContact CB-CB 4.15Å; P211-K213 PolarHBondContact O-N 3.43Å; P211-Q239 WeakPolarHBondContact CG-O 3.45Å; P211-D241 WeakPolarHBondContact CD-O 3.46Å
212	L	84.4	Confident	72.5	Confident	117 Å²	117	96.2 Å²	96.2	61%	0.613	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-68.1	127.4	175.2	-61.6	176.7	0	0	0	110	V180 Q214	V180-L212 HydrophobicContact CG1-CD1 4.48Å; V180-L212 HydrophobicContact CG1-CD2 4.39Å; V180-L212 HydrophobicContact CG1-CG 3.91Å; L212-Q214 PolarHBondContact O-N 3.07Å; L212-Q214 VanDerWaalsContact O-N 3.13Å
213	K	75.5	Confident	69.8	Low	92 Å²	92	100.6 Å²	100.6	40%	0.4	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-58.9	119	170.9	-69.2	-179.1	178.7	174.6	0	108.9	P211 K215 I238 E272	P211-K213 PolarHBondContact O-N 3.43Å; K213-K215 PolarHBondContact O-N 3.13Å; K213-K215 VanDerWaalsContact O-N 3.1Å; K213-I238 HydrophobicContact CB-CD1 4.18Å; K213-I238 HydrophobicContact CG-CD1 4.16Å; K213-E272 WeakPolarHBondContact CE-OE2 3.41Å; K213-E272 IonicContact NZ-OE1 2.77Å; K213-E272 PolarHBondContact NZ-OE1 2.73Å; K213-E272 IonicContact NZ-OE2 3.77Å; K213-E272 PolarHBondContact NZ-OE2 3.36Å
214	Q	62.7	Low	67.2	Low	158 Å²	158	108.7 Å²	108.7	74%	0.738	52%	0.522	S	S	*	.			trans	-64.9	115.8	167.5	-67.7	-174	-4.4	0	0	107.1	L212 N216	L212-Q214 PolarHBondContact O-N 3.07Å; L212-Q214 VanDerWaalsContact O-N 3.13Å; Q214-N216 VanDerWaalsContact C-N 3.26Å; Q214-N216 PolarHBondContact O-N 3Å
215	K	57.1	Low	64.9	Low	198 Å²	198	109.8 Å²	109.8	86%	0.861	54%	0.535	S	S	*	.			trans	-62.7	96.9	167.3	-72.4	-175.3	179	-179	0	106.3	K213 K217	K213-K215 PolarHBondContact O-N 3.13Å; K213-K215 VanDerWaalsContact O-N 3.1Å; K215-K217 VanDerWaalsContact C-N 3.31Å; K215-K217 PolarHBondContact O-N 3.31Å
216	N	49.8	Very low	62.1	Low	98 Å²	98	113.7 Å²	113.7	52%	0.524	58%	0.576	S	S	.	*			trans	-56.9	105.7	164.7	-81.2	-15.5	0	0	0	105.7	Q214 Q218	Q214-N216 VanDerWaalsContact C-N 3.26Å; Q214-N216 PolarHBondContact O-N 3Å; N216-Q218 PolarHBondContact O-N 3.21Å
217	K	43.9	Very low	59.4	Low	205 Å²	205	114 Å²	114	89%	0.891	59%	0.588	S	S	*	*			trans	-67.5	66.7	161.5	-75.1	-178.1	176.9	177.8	0	106.5	K215 K219	K215-K217 VanDerWaalsContact C-N 3.31Å; K215-K217 PolarHBondContact O-N 3.31Å; K217-K219 VanDerWaalsContact C-N 3.32Å; K217-K219 PolarHBondContact O-N 3.3Å
218	Q	45.3	Very low	56.6	Low	156 Å²	156	122.2 Å²	122.2	73%	0.729	63%	0.626	S	S	*	*			trans	-64.6	106.4	161.7	-133.9	85.5	20.8	0	0	103.9	N216 K220	N216-Q218 PolarHBondContact O-N 3.21Å; Q218-K220 PolarHBondContact O-N 3.13Å
219	K	41.4	Very low	53.8	Low	183 Å²	183	125.3 Å²	125.3	80%	0.796	65%	0.648	S	S	*	*			trans	-43.9	116.7	165.6	-77.9	172.2	171.7	177.3	0	106.2	K217 L221	K217-K219 VanDerWaalsContact C-N 3.32Å; K217-K219 PolarHBondContact O-N 3.3Å; K219-L221 PolarHBondContact O-N 3.33Å
220	K	39.1	Very low	51.1	Low	196 Å²	196	133 Å²	133	85%	0.852	68%	0.683	S	S	*	*			trans	-54.3	99.4	157.4	-81.4	-177.3	170.7	-172.5	0	105.1	Q218	Q218-K220 PolarHBondContact O-N 3.13Å
221	L	41.6	Very low	48.6	Very low	148 Å²	148	135.7 Å²	135.7	78%	0.775	70%	0.702	S	S	*	*			trans	-81	119.3	156.5	-78.2	161.7	0	0	0	103.4	K219 D223	K219-L221 PolarHBondContact O-N 3.33Å; L221-D223 VanDerWaalsContact C-N 3.32Å; L221-D223 PolarHBondContact O-N 3.39Å
222	D	39.4	Very low	46.1	Very low	151 Å²	151	143.8 Å²	143.8	81%	0.807	74%	0.738	S	S	*	*			trans	-61.8	91.5	178.9	-56.8	-50.5	0	0	0	108.6
223	D	39.1	Very low	43.8	Very low	146 Å²	146	146 Å²	146	78%	0.781	75%	0.745	S	S	*	*			trans	-125.4	96.8	163.5	-90.6	-32.1	0	0	0	108.8	L221 S225	L221-D223 VanDerWaalsContact C-N 3.32Å; L221-D223 PolarHBondContact O-N 3.39Å; D223-S225 PolarHBondContact O-N 3.09Å
224	D	41.6	Very low	42	Very low	173 Å²	173	146.6 Å²	146.6	93%	0.925	76%	0.761	S	S	*	*			trans	-57.8	79.9	166.2	-168	19.8	0	0	0	109.5
225	S	46.5	Very low	40.9	Very low	90 Å²	90	146.6 Å²	146.6	63%	0.629	77%	0.766	S	S	*	*			trans	-139.4	99.1	164.6	61	0	0	0	0	109.7	D223 T227	D223-S225 PolarHBondContact O-N 3.09Å; S225-T227 VanDerWaalsContact C-N 3.34Å; S225-T227 PolarHBondContact O-N 3.46Å
226	G	39.7	Very low	40.2	Very low	84 Å²	84	143.1 Å²	143.1	87%	0.866	76%	0.756	S	S	*	*			trans	-61.5	96.9	164.5	0	0	0	0	0	108.9
227	T	38.8	Very low	40.2	Very low	101 Å²	101	143.7 Å²	143.7	62%	0.62	77%	0.768	S	S	*	*			trans	-138	99	162.6	-50.3	0	0	0	0	106	S225 S229	S225-T227 VanDerWaalsContact C-N 3.34Å; S225-T227 PolarHBondContact O-N 3.46Å; T227-S229 PolarHBondContact O-N 3.11Å
228	E	36	Very low	40.7	Very low	202 Å²	202	137.1 Å²	137.1	94%	0.944	74%	0.741	S	S	*	*			trans	-68.7	51.7	169.5	-67.2	-165.6	161.1	0	0	110.7	E230	E228-E230 PolarHBondContact O-N 2.84Å
229	S	36.9	Very low	41.7	Very low	67 Å²	67	136.2 Å²	136.2	47%	0.469	74%	0.737	S	S	.	*			trans	-81.2	108.7	160.8	48.6	0	0	0	0	106.4	T227 S231	T227-S229 PolarHBondContact O-N 3.11Å; S229-S231 PolarHBondContact O-N 3.48Å; S229-S231 PolarHBondContact O-OG 3.06Å
230	E	36.9	Very low	43.6	Very low	194 Å²	194	128.6 Å²	128.6	91%	0.907	71%	0.705	S	S	*	*			trans	-61.6	40.6	159.5	-63.6	-165.8	152.3	0	0	111.4	E228 E232	E228-E230 PolarHBondContact O-N 2.84Å; E230-E232 VanDerWaalsContact C-N 3.33Å; E230-E232 PolarHBondContact O-N 3.02Å
231	S	36.6	Very low	45.9	Very low	67 Å²	67	120.4 Å²	120.4	47%	0.469	67%	0.67	S	S	.	*			trans	-66.9	99.4	169.8	55.9	0	0	0	0	106.2	S229 Q233	S229-S231 PolarHBondContact O-N 3.48Å; S229-S231 PolarHBondContact O-OG 3.06Å; S231-Q233 WeakPolarHBondContact O-CG 3.48Å; S231-Q233 PolarHBondContact O-N 2.74Å
232	E	36.5	Very low	48.3	Very low	193 Å²	193	113.8 Å²	113.8	90%	0.902	64%	0.635	S	S	*	*			trans	-7	62.3	152.9	-58.6	-177.9	164.3	0	0	115	E230 S234	E230-E232 VanDerWaalsContact C-N 3.33Å; E230-E232 PolarHBondContact O-N 3.02Å; E232-S234 PolarHBondContact O-N 3.4Å
233	Q	35.6	Very low	50.9	Low	163 Å²	163	107.4 Å²	107.4	76%	0.762	60%	0.601	S	S	*	*			trans	-68.8	89.7	175.4	-87.2	172.6	-0.2	0	0	105.5	S231 N235	S231-Q233 WeakPolarHBondContact O-CG 3.48Å; S231-Q233 PolarHBondContact O-N 2.74Å; Q233-N235 PolarHBondContact O-N 3.17Å
234	S	37	Very low	53.4	Low	105 Å²	105	103.2 Å²	103.2	73%	0.734	58%	0.579	S	S	*	*			trans	11.6	68.6	159.4	62.4	0	0	0	0	112.4	E232 I236	E232-S234 PolarHBondContact O-N 3.4Å; S234-I236 PolarHBondContact O-N 2.97Å
235	N	40.8	Very low	55.9	Low	158 Å²	158	95.3 Å²	95.3	85%	0.845	54%	0.536	S	S	*	.			trans	-69	92.8	170.2	-117.9	-20.1	0	0	0	101.8	Q233 S237	Q233-N235 PolarHBondContact O-N 3.17Å; N235-S237 PolarHBondContact O-N 2.99Å
236	I	41.9	Very low	58.1	Low	125 Å²	125	91.6 Å²	91.6	64%	0.641	51%	0.51	S	S	*	.			trans	-48.2	106	166.6	-65	164.5	0	0	0	102.4	S234 I238	S234-I236 PolarHBondContact O-N 2.97Å; I236-I238 PolarHBondContact O-N 3.39Å
237	S	49.1	Very low	60.5	Low	111 Å²	111	89.6 Å²	89.6	78%	0.776	48%	0.482	S	S	*	.			trans	-63.2	94.1	-172.2	-162.9	0	0	0	0	104.8	N235 Q239	N235-S237 PolarHBondContact O-N 2.99Å; S237-Q239 PolarHBondContact O-N 2.73Å
238	I	55.9	Low	63.2	Low	67 Å²	67	84.8 Å²	84.8	34%	0.344	45%	0.453	S	S	.	.			trans	-56.5	116.8	177.2	-66.4	170.3	0	0	0	102.6	K213 I236 M240	K213-I238 HydrophobicContact CB-CD1 4.18Å; K213-I238 HydrophobicContact CG-CD1 4.16Å; I236-I238 PolarHBondContact O-N 3.39Å; I238-M240 VanDerWaalsContact C-N 3.29Å; I238-M240 HydrophobicContact CG2-SD 4.23Å; I238-M240 WeakPolarHBondContact O-CG 3.2Å; I238-M240 PolarHBondContact O-N 3.29Å
239	Q	66.5	Low	65.9	Low	137 Å²	137	75.3 Å²	75.3	64%	0.64	41%	0.408	S	S	*	.			trans	-63.7	96.9	-175.9	-174.9	176.9	-14.4	0	0	107	P211 S237 D241	P211-Q239 WeakPolarHBondContact CG-O 3.45Å; S237-Q239 PolarHBondContact O-N 2.73Å; Q239-D241 HydrophobicContact CG-CB 4.11Å; Q239-D241 WeakPolarHBondContact CG-OD2 3.25Å; Q239-D241 PolarHBondContact NE2-OD2 3.18Å; Q239-D241 PolarHBondContact O-N 3.41Å; Q239-D241 VanDerWaalsContact O-N 3.12Å
240	M	80.2	Confident	68.5	Low	23 Å²	23	78.2 Å²	78.2	11%	0.113	41%	0.412	C	S	.	.			trans	-79.5	20.1	-175.5	-72.8	-59.9	-70.5	0	0	112.3	P210 I238 T279	P210-M240 HydrophobicContact CB-CE 3.52Å; P210-M240 HydrophobicContact CG-CE 3.96Å; I238-M240 VanDerWaalsContact C-N 3.29Å; I238-M240 HydrophobicContact CG2-SD 4.23Å; I238-M240 WeakPolarHBondContact O-CG 3.2Å; I238-M240 PolarHBondContact O-N 3.29Å; M240-T279 HydrophobicContact CB-CG2 4.26Å
241	D	87	Confident	71.2	Confident	24 Å²	24	73.4 Å²	73.4	13%	0.128	39%	0.389	C	S	.	.			trans	-72.8	137.5	-173.9	-60.5	-25.3	0	0	0	110.7	P211 Q239 T279 N281 D282	P211-D241 WeakPolarHBondContact CD-O 3.46Å; Q239-D241 HydrophobicContact CG-CB 4.11Å; Q239-D241 WeakPolarHBondContact CG-OD2 3.25Å; Q239-D241 PolarHBondContact NE2-OD2 3.18Å; Q239-D241 PolarHBondContact O-N 3.41Å; Q239-D241 VanDerWaalsContact O-N 3.12Å; D241-T279 WeakPolarHBondContact OD1-CB 3.44Å; D241-T279 PolarHBondContact OD1-OG1 3.42Å; D241-N281 WeakPolarHBondContact OD1-CB 3.5Å; D241-N281 WeakPolarHBondContact OD2-CB 3.24Å; D241-N281 PolarHBondContact OD2-ND2 2.99Å; D241-D282 WeakPolarHBondContact CA-OD1 3.47Å
242	H	92.4	Very high	73.9	Confident	9 Å²	9	70.2 Å²	70.2	4%	0.042	37%	0.366	C	S	.	.			trans	-77.4	178.7	179.9	-63.4	81.7	0	0	0	110.6	L208 L209 D244 Y262 Q277 D282	L208-H242 VanDerWaalsContact C-CD2 3.44Å; L208-H242 HydrophobicContact CB-CB 4.28Å; L208-H242 PolarHBondContact O-CD2 2.88Å; L208-H242 PolarHBondContact O-NE2 2.77Å; L209-H242 VanDerWaalsContact C-CD2 3.42Å; L209-H242 PolarHBondContact O-CD2 2.61Å; H242-D244 PolarHBondContact O-N 2.88Å; H242-Y262 HydrophobicContact CB-CD1 4.4Å; H242-Y262 HydrophobicContact CB-CE1 4.14Å; H242-Y262 AromaticContact CG-CD1 3.89Å; H242-Y262 AromaticContact ND1-CD1 3.66Å; H242-Q277 PolarHBondContact CE1-O 2.83Å; H242-Q277 VanDerWaalsContact CE1-O 3.3Å; H242-D282 IonicContact CE1-OD2 3.46Å; H242-D282 IonicContact CG-OD2 3.86Å; H242-D282 PolarHBondContact N-OD1 2.8Å; H242-D282 IonicContact ND1-OD1 3.9Å; H242-D282 IonicContact ND1-OD2 3.31Å; H242-D282 PolarHBondContact ND1-OD2 3.2Å
243	L	93.3	Very high	76.4	Confident	16 Å²	16	65 Å²	65	8%	0.084	35%	0.351	C	S	.	.			trans	-53.9	123.8	172.8	171.3	62.9	0	0	0	110.9	I176 F179 L189 L245 I248	I176-L243 HydrophobicContact CG2-CD2 4.29Å; F179-L243 HydrophobicContact CB-CD2 4.11Å; F179-L243 HydrophobicContact CD1-CB 3.89Å; F179-L243 HydrophobicContact CD1-CD1 3.94Å; F179-L243 HydrophobicContact CD1-CD2 3.95Å; F179-L243 HydrophobicContact CD1-CG 4.14Å; F179-L243 HydrophobicContact CD2-CD2 4.42Å; F179-L243 HydrophobicContact CE1-CB 4.34Å; F179-L243 HydrophobicContact CE1-CD1 3.71Å; F179-L243 HydrophobicContact CE1-CG 4.4Å; F179-L243 HydrophobicContact CG-CD1 4.5Å; F179-L243 HydrophobicContact CG-CD2 3.89Å; F179-L243 HydrophobicContact CZ-CD1 4.09Å; L189-L243 HydrophobicContact CD2-CD1 4.36Å; L189-L243 HydrophobicContact CD2-CD2 3.69Å; L243-L245 HydrophobicContact CD2-CD2 4.04Å; L243-L245 HydrophobicContact CG-CD2 4.18Å; L243-L245 PolarHBondContact O-N 3.12Å; L243-L245 VanDerWaalsContact O-N 3.15Å; L243-I248 HydrophobicContact CD2-CD1 3.95Å; L243-I248 HydrophobicContact CG-CD1 4.49Å
244	D	93.3	Very high	79.1	Confident	58 Å²	58	61 Å²	61	31%	0.31	34%	0.335	S	S	.	.			trans	-66.2	113.5	168.5	177.6	21.1	0	0	0	109.9	H242 S246 P247	H242-D244 PolarHBondContact O-N 2.88Å; D244-S246 VanDerWaalsContact C-N 3.31Å; D244-S246 WeakPolarHBondContact OD1-CB 3.22Å; D244-S246 PolarHBondContact OD1-N 2.8Å; D244-S246 PolarHBondContact OD1-OG 3.31Å; D244-P247 WeakPolarHBondContact O-CD 3.32Å
245	L	93.8	Very high	81.9	Confident	8 Å²	8	56.3 Å²	56.3	4%	0.042	30%	0.302	C	S	.	.			trans	-81.5	-9.5	-180	-60.9	177.9	0	0	0	112.7	I176 L243 I248 L249 L260	I176-L245 HydrophobicContact CG2-CD2 4.21Å; L243-L245 HydrophobicContact CD2-CD2 4.04Å; L243-L245 HydrophobicContact CG-CD2 4.18Å; L243-L245 PolarHBondContact O-N 3.12Å; L243-L245 VanDerWaalsContact O-N 3.15Å; L245-I248 HydrophobicContact CD2-CD1 3.82Å; L245-I248 WeakPolarHBondContact O-CB 3.47Å; L245-I248 PolarHBondContact O-N 3.48Å; L245-L249 HydrophobicContact CB-CD1 4.07Å; L245-L249 HydrophobicContact CB-CG 4.13Å; L245-L249 WeakPolarHBondContact O-CG 3.27Å; L245-L249 PolarHBondContact O-N 3.09Å; L245-L260 HydrophobicContact CD1-CD1 3.69Å; L245-L260 HydrophobicContact CD1-CD2 3.68Å; L245-L260 HydrophobicContact CD1-CG 4.36Å
246	S	91.4	Very high	84.3	Confident	12 Å²	12	54.4 Å²	54.4	8%	0.084	29%	0.286	C	S	.	.	H	α-helix	trans	-49.1	-51.3	178.6	-55.9	0	0	0	0	114.4	D244 I248 K250	D244-S246 VanDerWaalsContact C-N 3.31Å; D244-S246 WeakPolarHBondContact OD1-CB 3.22Å; D244-S246 PolarHBondContact OD1-N 2.8Å; D244-S246 PolarHBondContact OD1-OG 3.31Å; S246-I248 PolarHBondContact O-N 2.86Å; S246-K250 WeakPolarHBondContact O-CB 3.23Å; S246-K250 WeakPolarHBondContact O-CG 3.47Å; S246-K250 PolarHBondContact O-N 3.11Å; S246-K250 VanDerWaalsContact O-N 3.16Å
247	P	91.5	Very high	86.8	Confident	41 Å²	41	52 Å²	52	27%	0.266	27%	0.272	S	S	.	.	H	α-helix	trans	-65.7	-23.6	178.2	24.9	-35.8	0	0	0	114.1	Y190 D244	Y190-P247 HydrophobicContact CE1-CB 3.82Å; Y190-P247 HydrophobicContact CE1-CG 3.67Å; D244-P247 WeakPolarHBondContact O-CD 3.32Å
248	I	94.2	Very high	89.1	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-80.7	-57.6	179.3	-57.5	171	0	0	0	109	I176 L189 Y190 V193 L243 L245 S246 K250 K251 L252	I176-I248 HydrophobicContact CD1-CD1 4.12Å; I176-I248 HydrophobicContact CD1-CG2 4.44Å; I176-I248 HydrophobicContact CG1-CD1 4.29Å; L189-I248 HydrophobicContact CD1-CD1 4.33Å; L189-I248 HydrophobicContact CD2-CD1 3.76Å; L189-I248 HydrophobicContact CG-CD1 4.27Å; Y190-I248 HydrophobicContact CE1-CG1 4.28Å; V193-I248 HydrophobicContact CG1-CG2 4.39Å; V193-I248 HydrophobicContact CG2-CB 4.46Å; V193-I248 HydrophobicContact CG2-CG1 4.29Å; V193-I248 HydrophobicContact CG2-CG2 3.8Å; L243-I248 HydrophobicContact CD2-CD1 3.95Å; L243-I248 HydrophobicContact CG-CD1 4.49Å; L245-I248 HydrophobicContact CD2-CD1 3.82Å; L245-I248 WeakPolarHBondContact O-CB 3.47Å; L245-I248 PolarHBondContact O-N 3.48Å; S246-I248 PolarHBondContact O-N 2.86Å; I248-K250 VanDerWaalsContact C-N 3.29Å; I248-K250 PolarHBondContact O-N 2.89Å; I248-K251 PolarHBondContact O-N 2.88Å; I248-L252 HydrophobicContact CG2-CD1 3.98Å; I248-L252 HydrophobicContact CG2-CG 4.43Å; I248-L252 WeakPolarHBondContact O-CG 3.33Å; I248-L252 PolarHBondContact O-N 3.36Å
249	L	93	Very high	91	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-61.3	-36.1	-174.7	-66.2	-173.9	0	0	0	112.3	L245 K251 L252 L255 L258 A289 I290 H293	L245-L249 HydrophobicContact CB-CD1 4.07Å; L245-L249 HydrophobicContact CB-CG 4.13Å; L245-L249 WeakPolarHBondContact O-CG 3.27Å; L245-L249 PolarHBondContact O-N 3.09Å; L249-K251 PolarHBondContact O-N 3.35Å; L249-K251 VanDerWaalsContact O-N 3.09Å; L249-L252 HydrophobicContact CD2-CD1 4.26Å; L249-L252 PolarHBondContact O-N 2.85Å; L249-L255 HydrophobicContact CD2-CD2 3.63Å; L249-L258 HydrophobicContact CD1-CD2 3.5Å; L249-L258 HydrophobicContact CD2-CD1 4.28Å; L249-L258 HydrophobicContact CD2-CD2 4.04Å; L249-L258 HydrophobicContact CG-CD2 4.47Å; L249-A289 HydrophobicContact CB-CB 4.43Å; L249-A289 HydrophobicContact CD1-CB 3.75Å; L249-I290 HydrophobicContact CD1-CG2 4.41Å; L249-H293 PolarHBondContact O-NE2 2.93Å
250	K	91.8	Very high	92.5	Very high	127 Å²	127	39 Å²	39	55%	0.552	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.3	173.5	-77.9	176.5	-178.1	-179.8	0	114.5	S246 I248	S246-K250 WeakPolarHBondContact O-CB 3.23Å; S246-K250 WeakPolarHBondContact O-CG 3.47Å; S246-K250 PolarHBondContact O-N 3.11Å; S246-K250 VanDerWaalsContact O-N 3.16Å; I248-K250 VanDerWaalsContact C-N 3.29Å; I248-K250 PolarHBondContact O-N 2.89Å
251	K	92.9	Very high	93.2	Very high	94 Å²	94	39.4 Å²	39.4	41%	0.409	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-20.1	178.5	-69.1	-173.5	175.8	-178.3	0	113.2	V193 N194 A197 I248 L249 S253	V193-K251 HydrophobicContact CG1-CB 3.82Å; V193-K251 HydrophobicContact CG1-CD 3.9Å; V193-K251 HydrophobicContact CG1-CG 4.45Å; N194-K251 WeakPolarHBondContact OD1-CD 3.26Å; N194-K251 PolarHBondContact OD1-NZ 2.98Å; A197-K251 WeakPolarHBondContact CB-O 3.38Å; I248-K251 PolarHBondContact O-N 2.88Å; L249-K251 PolarHBondContact O-N 3.35Å; L249-K251 VanDerWaalsContact O-N 3.09Å; K251-S253 VanDerWaalsContact C-N 3.3Å; K251-S253 PolarHBondContact O-N 3.27Å; K251-S253 VanDerWaalsContact O-N 3.08Å
252	L	93.6	Very high	93.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.197	C	C	.	.			trans	-87.7	64.6	-175.6	-57.6	-178	0	0	0	111.2	L172 V193 A197 V200 L203 I248 L249 N254 L255 H293	L172-L252 HydrophobicContact CD2-CD1 4.04Å; L172-L252 HydrophobicContact CD2-CD2 4.24Å; V193-L252 HydrophobicContact CG1-CD2 4.24Å; A197-L252 HydrophobicContact CB-CD2 4.05Å; V200-L252 HydrophobicContact CB-CD2 4.25Å; V200-L252 HydrophobicContact CG1-CD1 4.15Å; V200-L252 HydrophobicContact CG1-CD2 4.43Å; L203-L252 HydrophobicContact CD1-CD1 3.41Å; L203-L252 VanDerWaalsContact CD1-CD1 3.41Å; L203-L252 HydrophobicContact CG-CD1 4.42Å; I248-L252 HydrophobicContact CG2-CD1 3.98Å; I248-L252 HydrophobicContact CG2-CG 4.43Å; I248-L252 WeakPolarHBondContact O-CG 3.33Å; I248-L252 PolarHBondContact O-N 3.36Å; L249-L252 HydrophobicContact CD2-CD1 4.26Å; L249-L252 PolarHBondContact O-N 2.85Å; L252-N254 PolarHBondContact O-N 3.31Å; L252-N254 VanDerWaalsContact O-N 3.09Å; L252-L255 HydrophobicContact CB-CB 3.94Å; L252-L255 HydrophobicContact CD1-CD2 4.42Å; L252-L255 VanDerWaalsContact O-CB 3.27Å; L252-L255 WeakPolarHBondContact O-CB 3.26Å; L252-L255 PolarHBondContact O-N 3.5Å; L252-H293 PolarHBondContact O-CE1 3.13Å
253	S	90.1	Very high	93.4	Very high	84 Å²	84	38.7 Å²	38.7	59%	0.587	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.4	-175.9	60.6	0	0	0	0	114.5	K251	K251-S253 VanDerWaalsContact C-N 3.3Å; K251-S253 PolarHBondContact O-N 3.27Å; K251-S253 VanDerWaalsContact O-N 3.08Å
254	N	92.2	Very high	93.3	Very high	77 Å²	77	38.8 Å²	38.8	41%	0.412	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	0.8	-179.8	-65.2	-21.4	0	0	0	113.3	P198 V200 Q201 L252 K256	P198-N254 PolarHBondContact O-ND2 3.43Å; V200-N254 CarbonylContact O-C 3.48Å; Q201-N254 WeakPolarHBondContact CA-O 3.42Å; L252-N254 PolarHBondContact O-N 3.31Å; L252-N254 VanDerWaalsContact O-N 3.09Å; N254-K256 PolarHBondContact O-N 2.81Å
255	L	94.2	Very high	93.2	Very high	8 Å²	8	39.9 Å²	39.9	4%	0.042	20%	0.202	C	C	.	.			trans	-69.6	116.8	-178.6	-172.1	77.4	0	0	0	110.7	V200 L203 L249 L252 L258 H293	V200-L255 HydrophobicContact CG1-CD1 3.85Å; L203-L255 HydrophobicContact CB-CD1 4.11Å; L203-L255 HydrophobicContact CD1-CD1 4.21Å; L203-L255 HydrophobicContact CG-CD1 3.82Å; L249-L255 HydrophobicContact CD2-CD2 3.63Å; L252-L255 HydrophobicContact CB-CB 3.94Å; L252-L255 HydrophobicContact CD1-CD2 4.42Å; L252-L255 VanDerWaalsContact O-CB 3.27Å; L252-L255 WeakPolarHBondContact O-CB 3.26Å; L252-L255 PolarHBondContact O-N 3.5Å; L255-L258 HydrophobicContact CD2-CB 4.16Å; L255-L258 HydrophobicContact CD2-CD1 4.39Å; L255-H293 PolarHBondContact O-ND1 3.41Å
256	K	92.5	Very high	92.8	Very high	118 Å²	118	47.3 Å²	47.3	51%	0.513	24%	0.242	S	C	.	.			trans	-95.8	-38.9	179.2	-62.7	174.1	-178.4	167.9	0	112.1	Q201 N254 N295	Q201-K256 HydrophobicContact CB-CD 4.49Å; Q201-K256 WeakPolarHBondContact O-CA 3.46Å; Q201-K256 WeakPolarHBondContact O-CB 3.2Å; Q201-K256 PolarHBondContact O-N 3.43Å; N254-K256 PolarHBondContact O-N 2.81Å; K256-N295 WeakPolarHBondContact O-CB 3.45Å
257	E	94.7	Very high	92.3	Very high	74 Å²	74	48.1 Å²	48.1	35%	0.346	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	131.9	-176.4	-45.9	177.2	168	0	0	111.7	Q201 R202 L203 N295	Q201-E257 PolarHBondContact O-N 2.77Å; R202-E257 VanDerWaalsContact CA-O 3.26Å; R202-E257 WeakPolarHBondContact CA-O 3.16Å; R202-E257 HydrophobicContact CB-CB 4.25Å; R202-E257 WeakPolarHBondContact CD-OE2 3.17Å; R202-E257 HydrophobicContact CG-CB 3.81Å; R202-E257 HydrophobicContact CG-CG 3.91Å; L203-E257 PolarHBondContact N-O 2.76Å; E257-N295 HydrophobicContact CG-CB 4.34Å
258	L	96.3	Very high	92	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.016	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	116	177.5	178.4	61.7	0	0	0	110	L203 L249 L255 L260 I290 N295 L296 K297	L203-L258 HydrophobicContact CB-CD1 3.97Å; L249-L258 HydrophobicContact CD1-CD2 3.5Å; L249-L258 HydrophobicContact CD2-CD1 4.28Å; L249-L258 HydrophobicContact CD2-CD2 4.04Å; L249-L258 HydrophobicContact CG-CD2 4.47Å; L255-L258 HydrophobicContact CD2-CB 4.16Å; L255-L258 HydrophobicContact CD2-CD1 4.39Å; L258-L260 HydrophobicContact CD1-CD2 3.76Å; L258-L260 HydrophobicContact CD1-CG 4.09Å; L258-L260 HydrophobicContact CD2-CD1 4.21Å; L258-L260 HydrophobicContact CD2-CG 4.39Å; L258-L260 HydrophobicContact CG-CD1 4.37Å; L258-L260 HydrophobicContact CG-CD2 4.25Å; L258-L260 HydrophobicContact CG-CG 4.01Å; L258-I290 HydrophobicContact CD2-CG2 4.15Å; L258-N295 PolarHBondContact N-O 3.28Å; L258-L296 HydrophobicContact CB-CD1 4.32Å; L258-L296 HydrophobicContact CD2-CD1 3.98Å; L258-L296 HydrophobicContact CG-CD1 4.12Å; L258-L296 CarbonylContact O-C 3.54Å; L258-L296 WeakPolarHBondContact O-CA 3.47Å; L258-K297 PolarHBondContact O-N 3.01Å
259	N	96.9	Very high	91.7	Very high	39 Å²	39	57.8 Å²	57.8	21%	0.209	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	122.8	174.6	-55.9	-28.6	0	0	0	109.5	L203 I205 K297	L203-N259 PolarHBondContact O-N 3.35Å; I205-N259 PolarHBondContact N-O 2.9Å; N259-K297 WeakPolarHBondContact CA-O 3.38Å; N259-K297 HydrophobicContact CB-CB 4.12Å; N259-K297 HydrophobicContact CB-CD 4.44Å; N259-K297 WeakPolarHBondContact OD1-CB 3.17Å
260	L	96.7	Very high	91.1	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.005	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	128.6	-178.6	-61.8	-179.1	0	0	0	111.2	I205 L245 L258 Y262 L286 K297 V298 S299	I205-L260 HydrophobicContact CB-CD2 3.69Å; I205-L260 HydrophobicContact CG1-CD2 3.68Å; I205-L260 HydrophobicContact CG2-CD2 4.38Å; L245-L260 HydrophobicContact CD1-CD1 3.69Å; L245-L260 HydrophobicContact CD1-CD2 3.68Å; L245-L260 HydrophobicContact CD1-CG 4.36Å; L258-L260 HydrophobicContact CD1-CD2 3.76Å; L258-L260 HydrophobicContact CD1-CG 4.09Å; L258-L260 HydrophobicContact CD2-CD1 4.21Å; L258-L260 HydrophobicContact CD2-CG 4.39Å; L258-L260 HydrophobicContact CG-CD1 4.37Å; L258-L260 HydrophobicContact CG-CD2 4.25Å; L258-L260 HydrophobicContact CG-CG 4.01Å; L260-Y262 HydrophobicContact CB-CE2 4.16Å; L260-Y262 HydrophobicContact CD1-CE2 4.41Å; L260-L286 HydrophobicContact CD1-CD1 3.38Å; L260-L286 HydrophobicContact CD1-CD2 4.19Å; L260-L286 HydrophobicContact CD1-CG 4.42Å; L260-K297 PolarHBondContact N-O 3.16Å; L260-V298 WeakPolarHBondContact O-CA 3.49Å; L260-S299 PolarHBondContact O-N 3.27Å
261	T	95.3	Very high	90.7	Very high	30 Å²	30	62.6 Å²	62.6	18%	0.184	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	109.7	173.2	-47.5	0	0	0	0	109.4	I205 R206 Q207 L208 T263	I205-T261 PolarHBondContact O-N 2.73Å; R206-T261 WeakPolarHBondContact O-CB 3.47Å; Q207-T261 CarbonylContact C-O 3.43Å; Q207-T261 VanDerWaalsContact CA-O 3.3Å; Q207-T261 WeakPolarHBondContact CA-O 3.49Å; L208-T261 PolarHBondContact N-O 2.91Å; T261-T263 HydrophobicContact CG2-CG2 3.49Å; T261-T263 VanDerWaalsContact CG2-CG2 3.49Å; T261-T263 PolarHBondContact O-N 3.15Å; T261-T263 VanDerWaalsContact O-N 3.09Å
262	Y	92.3	Very high	90.4	Very high	6 Å²	6	62.1 Å²	62.1	2%	0.024	33%	0.333	C	S	.	.			trans	-81.2	85.9	176	-70.4	-92.7	0	0	0	109.8	L208 H242 L260 F278 D282 V298 H300	L208-Y262 HydrophobicContact CB-CD1 4.39Å; L208-Y262 HydrophobicContact CD1-CD1 3.81Å; L208-Y262 HydrophobicContact CD1-CE1 3.47Å; L208-Y262 VanDerWaalsContact CD1-CE1 3.47Å; L208-Y262 HydrophobicContact CD1-CE2 4.28Å; L208-Y262 HydrophobicContact CD1-CG 4.35Å; H242-Y262 HydrophobicContact CB-CD1 4.4Å; H242-Y262 HydrophobicContact CB-CE1 4.14Å; H242-Y262 AromaticContact CG-CD1 3.89Å; H242-Y262 AromaticContact ND1-CD1 3.66Å; L260-Y262 HydrophobicContact CB-CE2 4.16Å; L260-Y262 HydrophobicContact CD1-CE2 4.41Å; Y262-F278 AromaticContact CD1-CD2 3.75Å; Y262-F278 HydrophobicContact CD1-CD2 3.75Å; Y262-F278 HydrophobicContact CD1-CE2 4.44Å; Y262-F278 HydrophobicContact CD2-CB 4.26Å; Y262-F278 AromaticContact CD2-CD2 3.5Å; Y262-F278 HydrophobicContact CD2-CD2 3.5Å; Y262-F278 AromaticContact CD2-CE2 3.92Å; Y262-F278 HydrophobicContact CD2-CE2 3.92Å; Y262-F278 AromaticContact CD2-CG 3.91Å; Y262-F278 HydrophobicContact CD2-CG 3.91Å; Y262-F278 AromaticContact CE1-CD2 3.71Å; Y262-F278 HydrophobicContact CE1-CD2 3.71Å; Y262-F278 AromaticContact CE1-CE2 3.97Å; Y262-F278 HydrophobicContact CE1-CE2 3.97Å; Y262-F278 AromaticContact CE2-CD2 3.48Å; Y262-F278 HydrophobicContact CE2-CD2 3.48Å; Y262-F278 VanDerWaalsContact CE2-CD2 3.48Å; Y262-F278 AromaticContact CE2-CE2 3.4Å; Y262-F278 HydrophobicContact CE2-CE2 3.4Å; Y262-F278 VanDerWaalsContact CE2-CE2 3.4Å; Y262-F278 HydrophobicContact CE2-CG 4.26Å; Y262-F278 HydrophobicContact CE2-CZ 4.12Å; Y262-F278 HydrophobicContact CG-CB 4.02Å; Y262-F278 AromaticContact CG-CD2 3.64Å; Y262-F278 HydrophobicContact CG-CD2 3.64Å; Y262-F278 HydrophobicContact CG-CE2 4.42Å; Y262-F278 HydrophobicContact CG-CG 4.07Å; Y262-F278 AromaticContact CZ-CD2 3.59Å; Y262-F278 AromaticContact CZ-CE2 3.43Å; Y262-F278 VanDerWaalsContact CZ-CE2 3.43Å; Y262-D282 HydrophobicContact CE1-CB 3.8Å; Y262-V298 HydrophobicContact CD2-CG1 4.19Å; Y262-V298 HydrophobicContact CE2-CG1 4.05Å; Y262-H300 PolarHBondContact O-CD2 3.45Å
263	T	91.6	Very high	89.8	Confident	12 Å²	12	72 Å²	72	7%	0.074	37%	0.371	C	S	.	.			trans	-155.1	164.6	-178.2	-171.2	0	0	0	0	110.2	R206 Q207 L208 T261 L275 Y276	R206-T263 WeakPolarHBondContact O-CG2 3.49Å; Q207-T263 WeakPolarHBondContact CA-O 3.26Å; Q207-T263 HydrophobicContact CB-CG2 4.25Å; Q207-T263 WeakPolarHBondContact CB-O 3.46Å; L208-T263 PolarHBondContact N-O 3.35Å; T261-T263 HydrophobicContact CG2-CG2 3.49Å; T261-T263 VanDerWaalsContact CG2-CG2 3.49Å; T261-T263 PolarHBondContact O-N 3.15Å; T261-T263 VanDerWaalsContact O-N 3.09Å; T263-L275 CarbonylContact C-O 3.56Å; T263-L275 WeakPolarHBondContact CA-O 3.38Å; T263-Y276 WeakPolarHBondContact OG1-CD1 3.5Å; T263-Y276 WeakPolarHBondContact OG1-CE1 3.47Å
264	V	91.6	Very high	89.6	Confident	19 Å²	19	69.2 Å²	69.2	12%	0.115	35%	0.351	C	S	.	.			trans	-112.3	122.4	165.3	179.3	0	0	0	0	108.7	L209 P210 C267 L275	L209-V264 HydrophobicContact CD2-CB 4.32Å; L209-V264 HydrophobicContact CD2-CG1 3.92Å; L209-V264 HydrophobicContact CD2-CG2 3.87Å; P210-V264 VanDerWaalsContact CD-CG2 3.43Å; P210-V264 HydrophobicContact CG-CG2 4.19Å; V264-C267 HydrophobicContact CG1-CB 4.23Å; V264-L275 HydrophobicContact CB-CB 4.08Å; V264-L275 HydrophobicContact CB-CD1 4.48Å; V264-L275 HydrophobicContact CG2-CB 3.9Å; V264-L275 HydrophobicContact CG2-CD2 4.06Å; V264-L275 HydrophobicContact CG2-CG 4.43Å; V264-L275 PolarHBondContact N-O 3.01Å
265	K	90.4	Very high	89.3	Confident	81 Å²	81	66.7 Å²	66.7	35%	0.352	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	152.2	173	-66.1	-179.8	174.1	-175.4	0	110.6	R206 Q207 C267	R206-K265 VanDerWaalsContact O-CE 3.3Å; R206-K265 WeakPolarHBondContact O-CE 3.42Å; Q207-K265 HydrophobicContact CB-CG 4.32Å; K265-C267 PolarHBondContact O-N 3.39Å; K265-C267 VanDerWaalsContact O-N 3.11Å
266	D	86	Confident	88.9	Confident	164 Å²	164	69.5 Å²	69.5	88%	0.877	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	35.9	172	-52.8	-43	0	0	0	114	G268	D266-G268 PolarHBondContact O-N 3.18Å
267	C	80.9	Confident	88.6	Confident	29 Å²	29	68.2 Å²	68.2	20%	0.196	34%	0.344	C	S	.	.			trans	-62	-12.4	-179.5	58.5	0	0	0	0	114	V264 K265 N270 L275	V264-C267 HydrophobicContact CG1-CB 4.23Å; K265-C267 PolarHBondContact O-N 3.39Å; K265-C267 VanDerWaalsContact O-N 3.11Å; C267-N270 PolarHBondContact O-N 3.46Å; C267-L275 HydrophobicContact CB-CD1 3.75Å
268	G	85.7	Confident	88.3	Confident	56 Å²	56	64.8 Å²	64.8	58%	0.577	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	-137.3	175.2	0	0	0	0	0	111.7	D266 N270	D266-G268 PolarHBondContact O-N 3.18Å; G268-N270 PolarHBondContact O-N 3.24Å
269	M	86.9	Confident	88	Confident	189 Å²	189	65.2 Å²	65.2	93%	0.931	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-9.7	-178.8	-59.9	-59.9	-70.6	0	0	113.6	F271	M269-F271 PolarHBondContact O-N 3.22Å
270	N	80.5	Confident	87.7	Confident	139 Å²	139	68 Å²	68	74%	0.743	34%	0.344	S	S	*	.			trans	-92.2	33.9	179.8	-61.7	-38.3	0	0	0	111.7	C267 G268	C267-N270 PolarHBondContact O-N 3.46Å; G268-N270 PolarHBondContact O-N 3.24Å
271	F	84.4	Confident	87.4	Confident	92 Å²	92	70.6 Å²	70.6	40%	0.404	36%	0.359	S	S	.	.			trans	-65.2	132.4	-179.5	171.8	-90.7	0	0	0	111.5	M269 W273 Y276	M269-F271 PolarHBondContact O-N 3.22Å; F271-W273 HydrophobicContact CE1-CD2 4.33Å; F271-W273 HydrophobicContact CZ-CD2 4.02Å; F271-W273 HydrophobicContact CZ-CE3 4.13Å; F271-W273 HydrophobicContact CZ-CH2 4.44Å; F271-W273 HydrophobicContact CZ-CZ2 4.33Å; F271-W273 HydrophobicContact CZ-CZ3 4.34Å; F271-Y276 AromaticContact CD2-CE2 3.86Å; F271-Y276 HydrophobicContact CD2-CE2 3.86Å; F271-Y276 HydrophobicContact CE2-CD2 4.13Å; F271-Y276 AromaticContact CE2-CE2 3.39Å; F271-Y276 HydrophobicContact CE2-CE2 3.39Å; F271-Y276 HydrophobicContact CZ-CE2 4.36Å
272	E	85	Confident	87.2	Confident	83 Å²	83	69.3 Å²	69.3	39%	0.388	35%	0.351	S	S	.	.			trans	-144	144.4	169.5	-63.6	-178	146.2	0	0	109.8	K213 S274 L275	K213-E272 WeakPolarHBondContact CE-OE2 3.41Å; K213-E272 IonicContact NZ-OE1 2.77Å; K213-E272 PolarHBondContact NZ-OE1 2.73Å; K213-E272 IonicContact NZ-OE2 3.77Å; K213-E272 PolarHBondContact NZ-OE2 3.36Å; E272-S274 PolarHBondContact O-N 3.31Å; E272-S274 PolarHBondContact OE2-OG 2.81Å; E272-L275 HydrophobicContact CB-CG 4.28Å; E272-L275 VanDerWaalsContact O-CB 3.31Å; E272-L275 WeakPolarHBondContact O-CB 3.47Å; E272-L275 WeakPolarHBondContact O-CG 3.38Å; E272-L275 PolarHBondContact O-N 2.85Å
273	W	82.7	Confident	87.2	Confident	209 Å²	209	69 Å²	69	79%	0.792	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-59.4	-29.3	178.3	-73.7	111.4	0	0	0	113.5	F271 L275 Y276	F271-W273 HydrophobicContact CE1-CD2 4.33Å; F271-W273 HydrophobicContact CZ-CD2 4.02Å; F271-W273 HydrophobicContact CZ-CE3 4.13Å; F271-W273 HydrophobicContact CZ-CH2 4.44Å; F271-W273 HydrophobicContact CZ-CZ2 4.33Å; F271-W273 HydrophobicContact CZ-CZ3 4.34Å; W273-L275 PolarHBondContact O-N 3.18Å; W273-Y276 PolarHBondContact O-N 3.41Å; W273-Y276 VanDerWaalsContact O-N 3.12Å
274	S	84.2	Confident	87.1	Confident	24 Å²	24	71.1 Å²	71.1	17%	0.168	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-63.4	-18.5	176.4	52	0	0	0	0	113.6	E272 Y276 Q277	E272-S274 PolarHBondContact O-N 3.31Å; E272-S274 PolarHBondContact OE2-OG 2.81Å; S274-Y276 PolarHBondContact O-N 3.36Å; S274-Q277 WeakPolarHBondContact O-CB 3.31Å; S274-Q277 PolarHBondContact O-N 3.24Å
275	L	86	Confident	87.1	Confident	24 Å²	24	71.8 Å²	71.8	13%	0.126	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-71.6	-12.7	175.5	-59	179.4	0	0	0	113.4	P210 T263 V264 C267 E272 W273	P210-L275 HydrophobicContact CG-CD2 3.86Å; T263-L275 CarbonylContact C-O 3.56Å; T263-L275 WeakPolarHBondContact CA-O 3.38Å; V264-L275 HydrophobicContact CB-CB 4.08Å; V264-L275 HydrophobicContact CB-CD1 4.48Å; V264-L275 HydrophobicContact CG2-CB 3.9Å; V264-L275 HydrophobicContact CG2-CD2 4.06Å; V264-L275 HydrophobicContact CG2-CG 4.43Å; V264-L275 PolarHBondContact N-O 3.01Å; C267-L275 HydrophobicContact CB-CD1 3.75Å; E272-L275 HydrophobicContact CB-CG 4.28Å; E272-L275 VanDerWaalsContact O-CB 3.31Å; E272-L275 WeakPolarHBondContact O-CB 3.47Å; E272-L275 WeakPolarHBondContact O-CG 3.38Å; E272-L275 PolarHBondContact O-N 2.85Å; W273-L275 PolarHBondContact O-N 3.18Å
276	Y	86.2	Confident	87.2	Confident	67 Å²	67	68 Å²	68	26%	0.263	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-112.9	12.3	179.2	-60.8	-100	0	0	0	111.4	T263 F271 W273 S274 F278 H300	T263-Y276 WeakPolarHBondContact OG1-CD1 3.5Å; T263-Y276 WeakPolarHBondContact OG1-CE1 3.47Å; F271-Y276 AromaticContact CD2-CE2 3.86Å; F271-Y276 HydrophobicContact CD2-CE2 3.86Å; F271-Y276 HydrophobicContact CE2-CD2 4.13Å; F271-Y276 AromaticContact CE2-CE2 3.39Å; F271-Y276 HydrophobicContact CE2-CE2 3.39Å; F271-Y276 HydrophobicContact CZ-CE2 4.36Å; W273-Y276 PolarHBondContact O-N 3.41Å; W273-Y276 VanDerWaalsContact O-N 3.12Å; S274-Y276 PolarHBondContact O-N 3.36Å; Y276-F278 PolarHBondContact O-N 3.33Å; Y276-H300 AromaticContact CD1-CE1 3.8Å
277	Q	86.3	Confident	87.3	Confident	92 Å²	92	60.5 Å²	60.5	43%	0.43	31%	0.307	S	S	.	.			trans	-87.6	109.8	-173.1	-175	177.7	6.2	0	0	110.5	H242 S274 T279	H242-Q277 PolarHBondContact CE1-O 2.83Å; H242-Q277 VanDerWaalsContact CE1-O 3.3Å; S274-Q277 WeakPolarHBondContact O-CB 3.31Å; S274-Q277 PolarHBondContact O-N 3.24Å; Q277-T279 HydrophobicContact CG-CG2 4.35Å; Q277-T279 PolarHBondContact O-N 3.35Å
278	F	89.4	Confident	87.5	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.009	32%	0.318	C	S	.	.			trans	-76.4	107	162.2	178.7	-146.5	0	0	0	109	Y262 Y276 D282 C283 L286 V298 H300 V301 Q305 L309	Y262-F278 AromaticContact CD1-CD2 3.75Å; Y262-F278 HydrophobicContact CD1-CD2 3.75Å; Y262-F278 HydrophobicContact CD1-CE2 4.44Å; Y262-F278 HydrophobicContact CD2-CB 4.26Å; Y262-F278 AromaticContact CD2-CD2 3.5Å; Y262-F278 HydrophobicContact CD2-CD2 3.5Å; Y262-F278 AromaticContact CD2-CE2 3.92Å; Y262-F278 HydrophobicContact CD2-CE2 3.92Å; Y262-F278 AromaticContact CD2-CG 3.91Å; Y262-F278 HydrophobicContact CD2-CG 3.91Å; Y262-F278 AromaticContact CE1-CD2 3.71Å; Y262-F278 HydrophobicContact CE1-CD2 3.71Å; Y262-F278 AromaticContact CE1-CE2 3.97Å; Y262-F278 HydrophobicContact CE1-CE2 3.97Å; Y262-F278 AromaticContact CE2-CD2 3.48Å; Y262-F278 HydrophobicContact CE2-CD2 3.48Å; Y262-F278 VanDerWaalsContact CE2-CD2 3.48Å; Y262-F278 AromaticContact CE2-CE2 3.4Å; Y262-F278 HydrophobicContact CE2-CE2 3.4Å; Y262-F278 VanDerWaalsContact CE2-CE2 3.4Å; Y262-F278 HydrophobicContact CE2-CG 4.26Å; Y262-F278 HydrophobicContact CE2-CZ 4.12Å; Y262-F278 HydrophobicContact CG-CB 4.02Å; Y262-F278 AromaticContact CG-CD2 3.64Å; Y262-F278 HydrophobicContact CG-CD2 3.64Å; Y262-F278 HydrophobicContact CG-CE2 4.42Å; Y262-F278 HydrophobicContact CG-CG 4.07Å; Y262-F278 AromaticContact CZ-CD2 3.59Å; Y262-F278 AromaticContact CZ-CE2 3.43Å; Y262-F278 VanDerWaalsContact CZ-CE2 3.43Å; Y276-F278 PolarHBondContact O-N 3.33Å; F278-D282 HydrophobicContact CD2-CB 3.54Å; F278-D282 HydrophobicContact CE2-CB 3.53Å; F278-C283 HydrophobicContact CE1-CB 4.04Å; F278-C283 HydrophobicContact CE2-CB 4.06Å; F278-C283 VanDerWaalsContact CZ-CA 3.44Å; F278-C283 HydrophobicContact CZ-CB 3.6Å; F278-L286 HydrophobicContact CZ-CD2 4.02Å; F278-V298 HydrophobicContact CE1-CG1 4.25Å; F278-V298 HydrophobicContact CZ-CG1 4.39Å; F278-H300 WeakPolarHBondContact CB-O 2.91Å; F278-V301 HydrophobicContact CD1-CG2 4.09Å; F278-V301 HydrophobicContact CE1-CG2 4.03Å; F278-Q305 HydrophobicContact CD1-CB 3.79Å; F278-Q305 HydrophobicContact CD1-CG 3.63Å; F278-Q305 HydrophobicContact CE1-CB 3.76Å; F278-Q305 HydrophobicContact CE1-CG 4Å; F278-Q305 HydrophobicContact CG-CG 4.25Å; F278-Q305 PolarHBondContact O-NE2 2.97Å; F278-L309 HydrophobicContact CE1-CD1 4.31Å
279	T	90.1	Very high	87.6	Confident	11 Å²	11	60.4 Å²	60.4	7%	0.067	29%	0.292	C	S	.	.			trans	-74.5	165.6	-173.8	81.9	0	0	0	0	112	M240 D241 Q277 N281 D282 C283	M240-T279 HydrophobicContact CB-CG2 4.26Å; D241-T279 WeakPolarHBondContact OD1-CB 3.44Å; D241-T279 PolarHBondContact OD1-OG1 3.42Å; Q277-T279 HydrophobicContact CG-CG2 4.35Å; Q277-T279 PolarHBondContact O-N 3.35Å; T279-N281 VanDerWaalsContact C-N 3.27Å; T279-N281 PolarHBondContact O-N 2.72Å; T279-N281 PolarHBondContact OG1-N 3.17Å; T279-D282 WeakPolarHBondContact CG2-OD2 3Å; T279-D282 PolarHBondContact N-OD2 3.09Å; T279-D282 PolarHBondContact O-N 3.2Å; T279-D282 PolarHBondContact OG1-N 3.12Å; T279-D282 PolarHBondContact OG1-OD2 3Å; T279-D282 VanDerWaalsContact OG1-OD2 3.13Å; T279-C283 PolarHBondContact O-N 2.73Å; T279-C283 VanDerWaalsContact O-N 3.09Å
280	L	89.1	Confident	87.6	Confident	97 Å²	97	51.5 Å²	51.5	51%	0.508	25%	0.248	S	C	.	.	H	α-helix	trans	-65.6	-33.6	173.3	-66.8	174.9	0	0	0	111.5	C283 L284 Q305 L308	L280-C283 WeakPolarHBondContact O-CB 3.18Å; L280-C283 PolarHBondContact O-N 3.41Å; L280-L284 WeakPolarHBondContact O-CG 3.39Å; L280-L284 PolarHBondContact O-N 3.11Å; L280-Q305 HydrophobicContact CD2-CG 4.39Å; L280-L308 HydrophobicContact CB-CD2 4.26Å; L280-L308 HydrophobicContact CD2-CD2 3.99Å
281	N	90.2	Very high	87.7	Confident	57 Å²	57	49.6 Å²	49.6	31%	0.305	23%	0.234	S	C	.	.	H	α-helix	trans	-73.2	-38.5	177.6	-166.8	55.3	0	0	0	111.3	D241 T279 C283 L284 N285	D241-N281 WeakPolarHBondContact OD1-CB 3.5Å; D241-N281 WeakPolarHBondContact OD2-CB 3.24Å; D241-N281 PolarHBondContact OD2-ND2 2.99Å; T279-N281 VanDerWaalsContact C-N 3.27Å; T279-N281 PolarHBondContact O-N 2.72Å; T279-N281 PolarHBondContact OG1-N 3.17Å; N281-C283 PolarHBondContact O-N 3.07Å; N281-L284 WeakPolarHBondContact O-CB 3.42Å; N281-L284 PolarHBondContact O-N 3.44Å; N281-L284 VanDerWaalsContact O-N 3.11Å; N281-N285 PolarHBondContact ND2-ND2 3.24Å; N281-N285 WeakPolarHBondContact O-CB 3.42Å; N281-N285 PolarHBondContact O-N 3.37Å; N281-N285 PolarHBondContact O-ND2 2.81Å
282	D	92.2	Very high	87.7	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-56.8	-41.8	170.7	-64.5	-31.4	0	0	0	111.1	D241 H242 Y262 F278 T279 N285 L286	D241-D282 WeakPolarHBondContact CA-OD1 3.47Å; H242-D282 IonicContact CE1-OD2 3.46Å; H242-D282 IonicContact CG-OD2 3.86Å; H242-D282 PolarHBondContact N-OD1 2.8Å; H242-D282 IonicContact ND1-OD1 3.9Å; H242-D282 IonicContact ND1-OD2 3.31Å; H242-D282 PolarHBondContact ND1-OD2 3.2Å; Y262-D282 HydrophobicContact CE1-CB 3.8Å; F278-D282 HydrophobicContact CD2-CB 3.54Å; F278-D282 HydrophobicContact CE2-CB 3.53Å; T279-D282 WeakPolarHBondContact CG2-OD2 3Å; T279-D282 PolarHBondContact N-OD2 3.09Å; T279-D282 PolarHBondContact O-N 3.2Å; T279-D282 PolarHBondContact OG1-N 3.12Å; T279-D282 PolarHBondContact OG1-OD2 3Å; T279-D282 VanDerWaalsContact OG1-OD2 3.13Å; D282-N285 PolarHBondContact O-N 2.92Å; D282-L286 VanDerWaalsContact O-CB 3.24Å; D282-L286 WeakPolarHBondContact O-CB 3.49Å; D282-L286 PolarHBondContact O-N 3.37Å
283	C	91.4	Very high	87.8	Confident	0 Å²	0	47 Å²	47	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.5	-41.7	176	176.2	0	0	0	0	112.5	F278 T279 L280 N281 S287 Q305 L308 L309	F278-C283 HydrophobicContact CE1-CB 4.04Å; F278-C283 HydrophobicContact CE2-CB 4.06Å; F278-C283 VanDerWaalsContact CZ-CA 3.44Å; F278-C283 HydrophobicContact CZ-CB 3.6Å; T279-C283 PolarHBondContact O-N 2.73Å; T279-C283 VanDerWaalsContact O-N 3.09Å; L280-C283 WeakPolarHBondContact O-CB 3.18Å; L280-C283 PolarHBondContact O-N 3.41Å; N281-C283 PolarHBondContact O-N 3.07Å; C283-S287 WeakPolarHBondContact O-CB 3.3Å; C283-S287 PolarHBondContact O-N 3.11Å; C283-S287 PolarHBondContact O-OG 3.47Å; C283-Q305 HydrophobicContact CB-CB 4.36Å; C283-Q305 HydrophobicContact CB-CG 4.35Å; C283-Q305 PolarHBondContact SG-O 3.22Å; C283-L308 HydrophobicContact CB-CD2 4.16Å; C283-L309 WeakPolarHBondContact SG-CD2 3.36Å; C283-L309 WeakPolarHBondContact SG-CG 3.06Å
284	L	89.4	Confident	88	Confident	56 Å²	56	39 Å²	39	29%	0.293	20%	0.2	S	C	.	.	H	α-helix	trans	-64.1	-49.2	174.7	-70.2	172.2	0	0	0	111	L280 N281 L286 S287 N288 L308 H312	L280-L284 WeakPolarHBondContact O-CG 3.39Å; L280-L284 PolarHBondContact O-N 3.11Å; N281-L284 WeakPolarHBondContact O-CB 3.42Å; N281-L284 PolarHBondContact O-N 3.44Å; N281-L284 VanDerWaalsContact O-N 3.11Å; L284-L286 VanDerWaalsContact C-N 3.32Å; L284-L286 PolarHBondContact O-N 3.12Å; L284-S287 PolarHBondContact O-N 2.78Å; L284-S287 PolarHBondContact O-OG 3.48Å; L284-N288 PolarHBondContact O-N 3.48Å; L284-N288 PolarHBondContact O-ND2 3.39Å; L284-L308 HydrophobicContact CD2-CD1 4.08Å; L284-L308 HydrophobicContact CD2-CD2 4.03Å; L284-L308 HydrophobicContact CD2-CG 4.15Å; L284-L308 HydrophobicContact CG-CD2 4.01Å; L284-H312 WeakPolarHBondContact CD2-NE2 3.17Å
285	N	91.5	Very high	88.4	Confident	33 Å²	33	39.9 Å²	39.9	18%	0.176	20%	0.202	C	C	.	.	H	α-helix	trans	-57.6	-46.8	178	-67.6	-21.7	0	0	0	110.7	N281 D282 S287 N288 A289	N281-N285 PolarHBondContact ND2-ND2 3.24Å; N281-N285 WeakPolarHBondContact O-CB 3.42Å; N281-N285 PolarHBondContact O-N 3.37Å; N281-N285 PolarHBondContact O-ND2 2.81Å; D282-N285 PolarHBondContact O-N 2.92Å; N285-S287 PolarHBondContact O-N 2.86Å; N285-N288 PolarHBondContact O-N 2.89Å; N285-A289 VanDerWaalsContact O-CB 3.24Å; N285-A289 WeakPolarHBondContact O-CB 3.43Å; N285-A289 PolarHBondContact O-N 2.87Å
286	L	92.2	Very high	88.9	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-58.7	-48.1	176.5	-178.8	58.9	0	0	0	111.5	L260 F278 D282 L284 N288 A289 I290 L296 V298 L309	L260-L286 HydrophobicContact CD1-CD1 3.38Å; L260-L286 HydrophobicContact CD1-CD2 4.19Å; L260-L286 HydrophobicContact CD1-CG 4.42Å; F278-L286 HydrophobicContact CZ-CD2 4.02Å; D282-L286 VanDerWaalsContact O-CB 3.24Å; D282-L286 WeakPolarHBondContact O-CB 3.49Å; D282-L286 PolarHBondContact O-N 3.37Å; L284-L286 VanDerWaalsContact C-N 3.32Å; L284-L286 PolarHBondContact O-N 3.12Å; L286-N288 VanDerWaalsContact C-N 3.26Å; L286-N288 PolarHBondContact O-N 3.49Å; L286-A289 PolarHBondContact O-N 3.06Å; L286-I290 HydrophobicContact CD1-CG2 3.73Å; L286-I290 HydrophobicContact CG-CG2 4.39Å; L286-I290 WeakPolarHBondContact O-CG1 3.5Å; L286-I290 WeakPolarHBondContact O-CG2 3.38Å; L286-I290 PolarHBondContact O-N 2.81Å; L286-I290 VanDerWaalsContact O-N 3.12Å; L286-L296 HydrophobicContact CD1-CD1 4.44Å; L286-V298 HydrophobicContact CD2-CG1 4.18Å; L286-V298 HydrophobicContact CD2-CG2 3.67Å; L286-L309 HydrophobicContact CD2-CD2 4.38Å
287	S	88.1	Confident	89.3	Confident	6 Å²	6	38.5 Å²	38.5	4%	0.042	20%	0.197	C	C	.	.	H	α-helix	trans	-62.1	-33.6	-179.8	72.7	0	0	0	0	113.1	C283 L284 N285 H312	C283-S287 WeakPolarHBondContact O-CB 3.3Å; C283-S287 PolarHBondContact O-N 3.11Å; C283-S287 PolarHBondContact O-OG 3.47Å; L284-S287 PolarHBondContact O-N 2.78Å; L284-S287 PolarHBondContact O-OG 3.48Å; N285-S287 PolarHBondContact O-N 2.86Å; S287-H312 WeakPolarHBondContact OG-CB 3.22Å
288	N	86.7	Confident	89.8	Confident	79 Å²	79	34.1 Å²	34.1	42%	0.422	18%	0.176	S	C	.	.	H	α-helix	trans	-76	-30.6	174.6	-70.7	-33.5	0	0	0	112.4	L284 N285 L286 Q291	L284-N288 PolarHBondContact O-N 3.48Å; L284-N288 PolarHBondContact O-ND2 3.39Å; N285-N288 PolarHBondContact O-N 2.89Å; L286-N288 VanDerWaalsContact C-N 3.26Å; L286-N288 PolarHBondContact O-N 3.49Å; N288-Q291 WeakPolarHBondContact O-CG 3.3Å
289	A	87.6	Confident	90	Very high	4 Å²	4	35 Å²	35	3%	0.033	18%	0.183	C	C	.	.	H	α-helix	trans	-78.3	-30.6	-175.3	0	0	0	0	0	113.1	L249 N285 L286 Q291	L249-A289 HydrophobicContact CB-CB 4.43Å; L249-A289 HydrophobicContact CD1-CB 3.75Å; N285-A289 VanDerWaalsContact O-CB 3.24Å; N285-A289 WeakPolarHBondContact O-CB 3.43Å; N285-A289 PolarHBondContact O-N 2.87Å; L286-A289 PolarHBondContact O-N 3.06Å; A289-Q291 VanDerWaalsContact C-N 3.3Å; A289-Q291 PolarHBondContact O-N 3.16Å
290	I	86.5	Confident	90	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	7.3	-171.6	61.4	160.5	0	0	0	115.9	L249 L258 L286 Q292 H293 L296 L313 H316	L249-I290 HydrophobicContact CD1-CG2 4.41Å; L258-I290 HydrophobicContact CD2-CG2 4.15Å; L286-I290 HydrophobicContact CD1-CG2 3.73Å; L286-I290 HydrophobicContact CG-CG2 4.39Å; L286-I290 WeakPolarHBondContact O-CG1 3.5Å; L286-I290 WeakPolarHBondContact O-CG2 3.38Å; L286-I290 PolarHBondContact O-N 2.81Å; L286-I290 VanDerWaalsContact O-N 3.12Å; I290-Q292 PolarHBondContact O-N 2.85Å; I290-H293 PolarHBondContact O-N 3Å; I290-L296 HydrophobicContact CD1-CD2 3.7Å; I290-L296 HydrophobicContact CG2-CD1 4.27Å; I290-L296 HydrophobicContact CG2-CD2 4.39Å; I290-L313 HydrophobicContact CD1-CD2 3.41Å; I290-L313 VanDerWaalsContact CD1-CD2 3.41Å; I290-L313 HydrophobicContact CG1-CD2 4.24Å; I290-H316 PolarHBondContact O-CE1 3.03Å; I290-H316 PolarHBondContact O-NE2 2.85Å
291	Q	82.7	Confident	90.1	Very high	99 Å²	99	33.6 Å²	33.6	46%	0.463	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-25.7	-171.6	-72.2	177.3	-6.6	0	0	116.5	N288 A289 H316 T318	N288-Q291 WeakPolarHBondContact O-CG 3.3Å; A289-Q291 VanDerWaalsContact C-N 3.3Å; A289-Q291 PolarHBondContact O-N 3.16Å; Q291-H316 VanDerWaalsContact CA-NE2 3.33Å; Q291-H316 WeakPolarHBondContact CA-NE2 3.29Å; Q291-H316 PolarHBondContact N-NE2 3.35Å; Q291-T318 PolarHBondContact O-OG1 3.06Å
292	Q	83.8	Confident	90.3	Very high	115 Å²	115	32.9 Å²	32.9	54%	0.537	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	1.3	-176.9	-61.3	178.3	32.4	0	0	113.5	I290	I290-Q292 PolarHBondContact O-N 2.85Å
293	H	86.6	Confident	90.3	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.028	18%	0.181	C	C	.	.			trans	-106.7	145	-173	-57.9	-49.5	0	0	0	111.3	L249 L252 L255 I290 T318	L249-H293 PolarHBondContact O-NE2 2.93Å; L252-H293 PolarHBondContact O-CE1 3.13Å; L255-H293 PolarHBondContact O-ND1 3.41Å; I290-H293 PolarHBondContact O-N 3Å; H293-T318 PolarHBondContact O-OG1 3.06Å
294	S	87.1	Confident	90.3	Very high	42 Å²	42	36.9 Å²	36.9	29%	0.294	19%	0.194	S	C	.	.	S	Bend	trans	-105.2	-24.4	-173	57.9	0	0	0	0	114.6	T318 E320 C321	S294-T318 WeakPolarHBondContact CA-O 3.37Å; S294-T318 WeakPolarHBondContact CB-O 3.22Å; S294-E320 PolarHBondContact O-N 2.98Å; S294-C321 PolarHBondContact O-N 2.99Å
295	N	94	Very high	90.5	Very high	41 Å²	41	35.2 Å²	35.2	22%	0.219	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	116.6	-179.4	-168	-1.7	0	0	0	111.6	K256 E257 L258 C321	K256-N295 WeakPolarHBondContact O-CB 3.45Å; E257-N295 HydrophobicContact CG-CB 4.34Å; L258-N295 PolarHBondContact N-O 3.28Å; N295-C321 WeakPolarHBondContact CA-O 3.45Å; N295-C321 HydrophobicContact CB-CB 3.97Å; N295-C321 VanDerWaalsContact OD1-CB 3.29Å; N295-C321 WeakPolarHBondContact OD1-CB 3.34Å
296	L	95	Very high	90.7	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.016	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129.5	-177.3	176.8	67.5	0	0	0	111	L258 L286 I290 V298 L319 C321 L322 D323	L258-L296 HydrophobicContact CB-CD1 4.32Å; L258-L296 HydrophobicContact CD2-CD1 3.98Å; L258-L296 HydrophobicContact CG-CD1 4.12Å; L258-L296 CarbonylContact O-C 3.54Å; L258-L296 WeakPolarHBondContact O-CA 3.47Å; L286-L296 HydrophobicContact CD1-CD1 4.44Å; I290-L296 HydrophobicContact CD1-CD2 3.7Å; I290-L296 HydrophobicContact CG2-CD1 4.27Å; I290-L296 HydrophobicContact CG2-CD2 4.39Å; L296-V298 HydrophobicContact CD1-CG2 3.76Å; L296-V298 HydrophobicContact CD2-CG2 3.74Å; L296-V298 HydrophobicContact CG-CG2 3.67Å; L296-L319 HydrophobicContact CB-CD1 3.95Å; L296-C321 PolarHBondContact N-O 2.61Å; L296-L322 HydrophobicContact CB-CD1 4.36Å; L296-L322 HydrophobicContact CD2-CD1 4.08Å; L296-L322 HydrophobicContact CG-CD1 4.34Å; L296-L322 CarbonylContact O-C 3.51Å; L296-L322 WeakPolarHBondContact O-CA 3.42Å; L296-D323 PolarHBondContact O-N 2.84Å
297	K	96.6	Very high	90.8	Very high	59 Å²	59	38.4 Å²	38.4	26%	0.257	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	131.6	162.9	-175.7	177.9	-174.9	128.4	0	111	L258 N259 L260 D323 S325	L258-K297 PolarHBondContact O-N 3.01Å; N259-K297 WeakPolarHBondContact CA-O 3.38Å; N259-K297 HydrophobicContact CB-CB 4.12Å; N259-K297 HydrophobicContact CB-CD 4.44Å; N259-K297 WeakPolarHBondContact OD1-CB 3.17Å; L260-K297 PolarHBondContact N-O 3.16Å; K297-D323 VanDerWaalsContact CA-O 3.22Å; K297-D323 WeakPolarHBondContact CA-O 3.33Å; K297-D323 HydrophobicContact CB-CB 3.89Å; K297-D323 HydrophobicContact CD-CB 4.39Å; K297-D323 WeakPolarHBondContact CD-OD2 3.45Å; K297-D323 WeakPolarHBondContact CE-OD2 3.45Å; K297-D323 HydrophobicContact CG-CB 3.84Å; K297-D323 IonicContact NZ-OD2 2.68Å; K297-D323 PolarHBondContact NZ-OD2 3.42Å; K297-S325 PolarHBondContact NZ-OG 3.23Å
298	V	95.2	Very high	91	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	132.4	174.9	-165.7	0	0	0	0	110.4	L260 Y262 F278 L286 L296 V301 D323 L324 N327	L260-V298 WeakPolarHBondContact O-CA 3.49Å; Y262-V298 HydrophobicContact CD2-CG1 4.19Å; Y262-V298 HydrophobicContact CE2-CG1 4.05Å; F278-V298 HydrophobicContact CE1-CG1 4.25Å; F278-V298 HydrophobicContact CZ-CG1 4.39Å; L286-V298 HydrophobicContact CD2-CG1 4.18Å; L286-V298 HydrophobicContact CD2-CG2 3.67Å; L296-V298 HydrophobicContact CD1-CG2 3.76Å; L296-V298 HydrophobicContact CD2-CG2 3.74Å; L296-V298 HydrophobicContact CG-CG2 3.67Å; V298-V301 HydrophobicContact CB-CG2 3.82Å; V298-V301 HydrophobicContact CG1-CG2 3.56Å; V298-D323 PolarHBondContact N-O 3.4Å; V298-L324 HydrophobicContact CB-CD2 3.95Å; V298-L324 HydrophobicContact CG2-CD2 4.37Å; V298-N327 PolarHBondContact O-ND2 2.76Å
299	S	93.3	Very high	91.2	Very high	21 Å²	21	36.5 Å²	36.5	15%	0.147	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	159.3	174.2	-61.6	0	0	0	0	111.9	L260 N327	L260-S299 PolarHBondContact O-N 3.27Å; S299-N327 WeakPolarHBondContact CA-OD1 3.32Å
300	H	90.1	Very high	91.4	Very high	78 Å²	78	36.5 Å²	36.5	36%	0.361	18%	0.183	S	C	.	.	S	Bend	trans	65.4	33.2	-172.7	-60.7	-77.7	0	0	0	115	Y262 Y276 F278 N327	Y262-H300 PolarHBondContact O-CD2 3.45Å; Y276-H300 AromaticContact CD1-CE1 3.8Å; F278-H300 WeakPolarHBondContact CB-O 2.91Å; H300-N327 WeakPolarHBondContact CA-OD1 3.48Å; H300-N327 PolarHBondContact N-OD1 3.41Å
301	V	93.1	Very high	91.6	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	21%	0.207	C	C	.	.			trans	-85.7	118.9	175.3	-172.5	0	0	0	0	110.4	F278 V298 Q305 C306 L309 L324 N327 A328	F278-V301 HydrophobicContact CD1-CG2 4.09Å; F278-V301 HydrophobicContact CE1-CG2 4.03Å; V298-V301 HydrophobicContact CB-CG2 3.82Å; V298-V301 HydrophobicContact CG1-CG2 3.56Å; V301-Q305 HydrophobicContact CG1-CB 4.04Å; V301-C306 HydrophobicContact CG1-CB 3.8Å; V301-L309 HydrophobicContact CG1-CD1 4.12Å; V301-L309 HydrophobicContact CG2-CD1 4.49Å; V301-L324 HydrophobicContact CG2-CD2 4.09Å; V301-N327 HydrophobicContact CB-CB 4.23Å; V301-N327 PolarHBondContact N-OD1 2.8Å; V301-N327 WeakPolarHBondContact O-CB 3.34Å; V301-A328 PolarHBondContact O-N 3.32Å
302	S	92.5	Very high	91.8	Very high	42 Å²	42	39.8 Å²	39.8	29%	0.294	20%	0.204	S	C	.	.	B	Isolated β-bridge	trans	-88.2	174.1	169.7	97.2	0	0	0	0	111.5	E304 Q305 C306	S302-E304 PolarHBondContact O-N 2.87Å; S302-E304 PolarHBondContact OG-N 3.47Å; S302-Q305 VanDerWaalsContact CA-OE1 3.29Å; S302-Q305 PolarHBondContact O-N 3.5Å; S302-Q305 PolarHBondContact OG-OE1 3.22Å; S302-C306 WeakPolarHBondContact O-CB 3.34Å; S302-C306 PolarHBondContact O-N 2.98Å
303	S	93	Very high	92	Very high	29 Å²	29	34.4 Å²	34.4	20%	0.203	18%	0.179	C	C	.	.	H	α-helix	trans	-55.4	-33.5	177.4	68.8	0	0	0	0	114	R307 A328 I329	S303-R307 PolarHBondContact O-N 2.84Å; S303-R307 VanDerWaalsContact O-N 3.14Å; S303-A328 PolarHBondContact N-O 2.69Å; S303-A328 VanDerWaalsContact N-O 3.13Å; S303-I329 VanDerWaalsContact CA-O 3.28Å; S303-I329 WeakPolarHBondContact CA-O 3.28Å; S303-I329 WeakPolarHBondContact CB-O 3.36Å
304	E	92.6	Very high	91.9	Very high	57 Å²	57	38.2 Å²	38.2	27%	0.266	20%	0.197	S	C	.	.	H	α-helix	trans	-76.3	-46	-178.1	-57.7	-61.1	112.1	0	0	111.5	S302 C306 R307 L308 R332	S302-E304 PolarHBondContact O-N 2.87Å; S302-E304 PolarHBondContact OG-N 3.47Å; E304-C306 VanDerWaalsContact C-N 3.34Å; E304-C306 PolarHBondContact O-N 2.65Å; E304-R307 PolarHBondContact O-N 3.18Å; E304-R307 IonicContact OE1-CZ 2.89Å; E304-R307 IonicContact OE1-NH1 3.12Å; E304-R307 PolarHBondContact OE1-NH1 3.37Å; E304-R307 IonicContact OE2-CZ 3.48Å; E304-R307 IonicContact OE2-NH1 3.21Å; E304-R307 PolarHBondContact OE2-NH1 3.36Å; E304-R307 IonicContact OE2-NH2 2.76Å; E304-R307 PolarHBondContact OE2-NH2 2.93Å; E304-L308 PolarHBondContact O-N 3.26Å; E304-R332 IonicContact OE1-NH1 2.61Å; E304-R332 PolarHBondContact OE1-NH1 3.43Å
305	Q	92.6	Very high	91.4	Very high	22 Å²	22	42 Å²	42	10%	0.103	21%	0.214	C	C	.	.	H	α-helix	trans	-65.2	-38.8	173.9	-62.2	85.7	-5	0	0	110.8	F278 L280 C283 V301 S302 R307 L308 L309	F278-Q305 HydrophobicContact CD1-CB 3.79Å; F278-Q305 HydrophobicContact CD1-CG 3.63Å; F278-Q305 HydrophobicContact CE1-CB 3.76Å; F278-Q305 HydrophobicContact CE1-CG 4Å; F278-Q305 HydrophobicContact CG-CG 4.25Å; F278-Q305 PolarHBondContact O-NE2 2.97Å; L280-Q305 HydrophobicContact CD2-CG 4.39Å; C283-Q305 HydrophobicContact CB-CB 4.36Å; C283-Q305 HydrophobicContact CB-CG 4.35Å; C283-Q305 PolarHBondContact SG-O 3.22Å; V301-Q305 HydrophobicContact CG1-CB 4.04Å; S302-Q305 VanDerWaalsContact CA-OE1 3.29Å; S302-Q305 PolarHBondContact O-N 3.5Å; S302-Q305 PolarHBondContact OG-OE1 3.22Å; Q305-R307 VanDerWaalsContact C-N 3.31Å; Q305-R307 PolarHBondContact O-N 3.1Å; Q305-L308 PolarHBondContact O-N 3.37Å; Q305-L308 VanDerWaalsContact O-N 3.12Å; Q305-L309 WeakPolarHBondContact O-CB 3.45Å; Q305-L309 WeakPolarHBondContact O-CG 3.33Å; Q305-L309 PolarHBondContact O-N 3.31Å
306	C	94.8	Very high	90.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.7	-41.4	176.3	-177.2	0	0	0	0	111.9	V301 S302 E304 L308 L309 A310 I329	V301-C306 HydrophobicContact CG1-CB 3.8Å; S302-C306 WeakPolarHBondContact O-CB 3.34Å; S302-C306 PolarHBondContact O-N 2.98Å; E304-C306 VanDerWaalsContact C-N 3.34Å; E304-C306 PolarHBondContact O-N 2.65Å; C306-L308 VanDerWaalsContact C-N 3.31Å; C306-L308 PolarHBondContact O-N 3.14Å; C306-L309 PolarHBondContact O-N 2.85Å; C306-A310 VanDerWaalsContact O-CB 3.29Å; C306-A310 WeakPolarHBondContact O-CB 3.29Å; C306-A310 PolarHBondContact O-N 3.42Å; C306-I329 HydrophobicContact CB-CD1 4.43Å; C306-I329 HydrophobicContact CB-CG1 3.97Å; C306-I329 HydrophobicContact CB-CG2 4.19Å
307	R	94.6	Very high	90.3	Very high	102 Å²	102	44.6 Å²	44.6	39%	0.385	23%	0.232	S	C	.	.	H	α-helix	trans	-62.8	-41.2	174.7	-175.6	-178.7	68.1	-111.7	1.5	111.5	S303 E304 Q305 T311 A336	S303-R307 PolarHBondContact O-N 2.84Å; S303-R307 VanDerWaalsContact O-N 3.14Å; E304-R307 PolarHBondContact O-N 3.18Å; E304-R307 IonicContact OE1-CZ 2.89Å; E304-R307 IonicContact OE1-NH1 3.12Å; E304-R307 PolarHBondContact OE1-NH1 3.37Å; E304-R307 IonicContact OE2-CZ 3.48Å; E304-R307 IonicContact OE2-NH1 3.21Å; E304-R307 PolarHBondContact OE2-NH1 3.36Å; E304-R307 IonicContact OE2-NH2 2.76Å; E304-R307 PolarHBondContact OE2-NH2 2.93Å; Q305-R307 VanDerWaalsContact C-N 3.31Å; Q305-R307 PolarHBondContact O-N 3.1Å; R307-T311 PolarHBondContact O-N 3.32Å; R307-T311 PolarHBondContact O-OG1 3.5Å; R307-A336 HydrophobicContact CB-CB 4.02Å; R307-A336 HydrophobicContact CG-CB 3.88Å
308	L	91.8	Very high	89.8	Confident	41 Å²	41	44.2 Å²	44.2	22%	0.215	24%	0.235	C	C	.	.	H	α-helix	trans	-66.1	-49.4	178.7	-170.1	60.2	0	0	0	110.8	L280 C283 L284 E304 Q305 C306 A310 T311 H312	L280-L308 HydrophobicContact CB-CD2 4.26Å; L280-L308 HydrophobicContact CD2-CD2 3.99Å; C283-L308 HydrophobicContact CB-CD2 4.16Å; L284-L308 HydrophobicContact CD2-CD1 4.08Å; L284-L308 HydrophobicContact CD2-CD2 4.03Å; L284-L308 HydrophobicContact CD2-CG 4.15Å; L284-L308 HydrophobicContact CG-CD2 4.01Å; E304-L308 PolarHBondContact O-N 3.26Å; Q305-L308 PolarHBondContact O-N 3.37Å; Q305-L308 VanDerWaalsContact O-N 3.12Å; C306-L308 VanDerWaalsContact C-N 3.31Å; C306-L308 PolarHBondContact O-N 3.14Å; L308-A310 PolarHBondContact O-N 2.63Å; L308-T311 WeakPolarHBondContact O-CB 3.21Å; L308-T311 PolarHBondContact O-N 2.78Å; L308-T311 VanDerWaalsContact O-N 3.11Å; L308-H312 WeakPolarHBondContact CD1-NE2 3.11Å; L308-H312 PolarHBondContact O-CD2 3.35Å; L308-H312 PolarHBondContact O-N 2.48Å
309	L	91.8	Very high	89.6	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-50.7	-55.8	171.6	-73.3	176.4	0	0	0	110.7	F278 C283 L286 V301 Q305 C306 T311 H312 L313	F278-L309 HydrophobicContact CE1-CD1 4.31Å; C283-L309 WeakPolarHBondContact SG-CD2 3.36Å; C283-L309 WeakPolarHBondContact SG-CG 3.06Å; L286-L309 HydrophobicContact CD2-CD2 4.38Å; V301-L309 HydrophobicContact CG1-CD1 4.12Å; V301-L309 HydrophobicContact CG2-CD1 4.49Å; Q305-L309 WeakPolarHBondContact O-CB 3.45Å; Q305-L309 WeakPolarHBondContact O-CG 3.33Å; Q305-L309 PolarHBondContact O-N 3.31Å; C306-L309 PolarHBondContact O-N 2.85Å; L309-T311 PolarHBondContact O-N 3.06Å; L309-T311 VanDerWaalsContact O-N 3.16Å; L309-H312 PolarHBondContact O-N 3.14Å; L309-L313 HydrophobicContact CB-CD1 4.42Å; L309-L313 WeakPolarHBondContact O-CB 3.36Å; L309-L313 WeakPolarHBondContact O-CG 3.36Å; L309-L313 PolarHBondContact O-N 3.18Å
310	A	92	Very high	89.6	Confident	4 Å²	4	46.7 Å²	46.7	3%	0.033	24%	0.244	C	C	.	.	H	α-helix	trans	-57.3	-35.4	-178.7	0	0	0	0	0	113.1	C306 L308 Q314 A336 L337 L340	C306-A310 VanDerWaalsContact O-CB 3.29Å; C306-A310 WeakPolarHBondContact O-CB 3.29Å; C306-A310 PolarHBondContact O-N 3.42Å; L308-A310 PolarHBondContact O-N 2.63Å; A310-Q314 PolarHBondContact O-N 3.3Å; A310-A336 HydrophobicContact CB-CB 3.75Å; A310-L337 HydrophobicContact CB-CD2 4.18Å; A310-L340 HydrophobicContact CB-CB 4.33Å; A310-L340 HydrophobicContact CB-CD2 4.48Å
311	T	90.1	Very high	89.9	Confident	83 Å²	83	44.7 Å²	44.7	51%	0.509	24%	0.239	S	C	.	.	H	α-helix	trans	-67	-44.2	177.2	-54.4	0	0	0	0	111.4	R307 L308 L309	R307-T311 PolarHBondContact O-N 3.32Å; R307-T311 PolarHBondContact O-OG1 3.5Å; L308-T311 WeakPolarHBondContact O-CB 3.21Å; L308-T311 PolarHBondContact O-N 2.78Å; L308-T311 VanDerWaalsContact O-N 3.11Å; L309-T311 PolarHBondContact O-N 3.06Å; L309-T311 VanDerWaalsContact O-N 3.16Å
312	H	87.3	Confident	90.1	Very high	85 Å²	85	44.8 Å²	44.8	39%	0.394	24%	0.239	S	C	.	.	H	α-helix	trans	-79.1	-19	-179.2	-69.9	-71.6	0	0	0	113.6	L284 S287 L308 L309	L284-H312 WeakPolarHBondContact CD2-NE2 3.17Å; S287-H312 WeakPolarHBondContact OG-CB 3.22Å; L308-H312 WeakPolarHBondContact CD1-NE2 3.11Å; L308-H312 PolarHBondContact O-CD2 3.35Å; L308-H312 PolarHBondContact O-N 2.48Å; L309-H312 PolarHBondContact O-N 3.14Å
313	L	87.9	Confident	90.3	Very high	2 Å²	2	44 Å²	44	1%	0.01	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-4.3	177.1	-64.4	178.9	0	0	0	114.4	I290 L309 N315 H316 L319 L322 L340	I290-L313 HydrophobicContact CD1-CD2 3.41Å; I290-L313 VanDerWaalsContact CD1-CD2 3.41Å; I290-L313 HydrophobicContact CG1-CD2 4.24Å; L309-L313 HydrophobicContact CB-CD1 4.42Å; L309-L313 WeakPolarHBondContact O-CB 3.36Å; L309-L313 WeakPolarHBondContact O-CG 3.36Å; L309-L313 PolarHBondContact O-N 3.18Å; L313-N315 PolarHBondContact O-N 2.9Å; L313-H316 HydrophobicContact CD2-CB 4.24Å; L313-H316 WeakPolarHBondContact O-CB 3.44Å; L313-H316 PolarHBondContact O-N 3.06Å; L313-L319 HydrophobicContact CD1-CD2 3.92Å; L313-L319 HydrophobicContact CD2-CD2 4.27Å; L313-L322 HydrophobicContact CD1-CD2 4.46Å; L313-L340 VanDerWaalsContact C-CD1 3.45Å; L313-L340 HydrophobicContact CB-CD1 3.99Å; L313-L340 HydrophobicContact CB-CD2 4.16Å; L313-L340 WeakPolarHBondContact O-CD1 3.5Å
314	Q	84.1	Confident	90.5	Very high	86 Å²	86	42.6 Å²	42.6	40%	0.402	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-31.3	-172.2	-167	173.1	24.4	0	0	114.6	A310 L340	A310-Q314 PolarHBondContact O-N 3.3Å; Q314-L340 VanDerWaalsContact CA-CD1 3.47Å; Q314-L340 HydrophobicContact CB-CD1 4.45Å
315	N	77.5	Confident	90.7	Very high	123 Å²	123	40.2 Å²	40.2	66%	0.658	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.3	28	178.5	-61.2	-45.6	0	0	0	111.8	L313	L313-N315 PolarHBondContact O-N 2.9Å
316	H	83.6	Confident	90.9	Very high	9 Å²	9	44.4 Å²	44.4	4%	0.042	23%	0.231	C	C	.	.			trans	-66.3	123.5	-179.8	-162.6	-78.4	0	0	0	110.4	I290 Q291 L313 T318 L319	I290-H316 PolarHBondContact O-CE1 3.03Å; I290-H316 PolarHBondContact O-NE2 2.85Å; Q291-H316 VanDerWaalsContact CA-NE2 3.33Å; Q291-H316 WeakPolarHBondContact CA-NE2 3.29Å; Q291-H316 PolarHBondContact N-NE2 3.35Å; L313-H316 HydrophobicContact CD2-CB 4.24Å; L313-H316 WeakPolarHBondContact O-CB 3.44Å; L313-H316 PolarHBondContact O-N 3.06Å; H316-T318 PolarHBondContact CE1-OG1 2.86Å; H316-T318 PolarHBondContact ND1-N 2.84Å; H316-T318 PolarHBondContact O-N 2.82Å; H316-L319 HydrophobicContact CB-CB 4.28Å; H316-L319 VanDerWaalsContact ND1-CB 3.29Å; H316-L319 WeakPolarHBondContact ND1-CB 3.35Å; H316-L319 PolarHBondContact ND1-N 2.78Å; H316-L319 VanDerWaalsContact ND1-N 3.13Å
317	P	81	Confident	90.9	Very high	89 Å²	89	44.9 Å²	44.9	58%	0.578	23%	0.233	S	C	*	.	S	Bend	trans	-74.9	-27.1	-168	27.7	-34.6	0	0	0	114
318	T	85.9	Confident	90.8	Very high	51 Å²	51	42.4 Å²	42.4	31%	0.313	24%	0.235	S	C	.	.	S	Bend	trans	-127.2	-2.1	-167	59.1	0	0	0	0	115.3	Q291 H293 S294 H316 E320	Q291-T318 PolarHBondContact O-OG1 3.06Å; H293-T318 PolarHBondContact O-OG1 3.06Å; S294-T318 WeakPolarHBondContact CA-O 3.37Å; S294-T318 WeakPolarHBondContact CB-O 3.22Å; H316-T318 PolarHBondContact CE1-OG1 2.86Å; H316-T318 PolarHBondContact ND1-N 2.84Å; H316-T318 PolarHBondContact O-N 2.82Å; T318-E320 PolarHBondContact O-N 3.45Å
319	L	91.4	Very high	90.9	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.224	C	C	.	.			trans	-77.8	113.3	-171.7	-172.9	73.7	0	0	0	109.1	L296 L313 H316 L322 Q346 L347	L296-L319 HydrophobicContact CB-CD1 3.95Å; L313-L319 HydrophobicContact CD1-CD2 3.92Å; L313-L319 HydrophobicContact CD2-CD2 4.27Å; H316-L319 HydrophobicContact CB-CB 4.28Å; H316-L319 VanDerWaalsContact ND1-CB 3.29Å; H316-L319 WeakPolarHBondContact ND1-CB 3.35Å; H316-L319 PolarHBondContact ND1-N 2.78Å; H316-L319 VanDerWaalsContact ND1-N 3.13Å; L319-L322 HydrophobicContact CD2-CB 4.45Å; L319-Q346 CarbonylContact O-C 3.41Å; L319-Q346 VanDerWaalsContact O-C 3.26Å; L319-L347 HydrophobicContact CD2-CD1 4.35Å; L319-L347 HydrophobicContact CG-CD1 4.21Å; L319-L347 PolarHBondContact O-N 3.09Å
320	E	94	Very high	91	Very high	71 Å²	71	41 Å²	41	33%	0.332	23%	0.231	S	C	.	.			trans	-107.8	-31.9	-177.4	-59.7	-163.8	154.7	0	0	112.2	S294 T318 L347 K348 S349	S294-E320 PolarHBondContact O-N 2.98Å; T318-E320 PolarHBondContact O-N 3.45Å; E320-L347 WeakPolarHBondContact O-CD1 3.49Å; E320-K348 HydrophobicContact CB-CD 4.37Å; E320-K348 VanDerWaalsContact CD-NZ 3.26Å; E320-K348 HydrophobicContact CG-CD 4.43Å; E320-K348 WeakPolarHBondContact O-CA 3.13Å; E320-K348 PolarHBondContact O-N 2.8Å; E320-K348 IonicContact OE1-NZ 2.76Å; E320-K348 PolarHBondContact OE1-NZ 3.39Å; E320-K348 IonicContact OE2-NZ 3.85Å; E320-K348 PolarHBondContact OE2-NZ 2.58Å; E320-S349 PolarHBondContact O-N 3.27Å
321	C	96.3	Very high	91.1	Very high	36 Å²	36	45.7 Å²	45.7	24%	0.243	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125.9	-176.6	-62.6	0	0	0	0	110.4	S294 N295 L296 S349	S294-C321 PolarHBondContact O-N 2.99Å; N295-C321 WeakPolarHBondContact CA-O 3.45Å; N295-C321 HydrophobicContact CB-CB 3.97Å; N295-C321 VanDerWaalsContact OD1-CB 3.29Å; N295-C321 WeakPolarHBondContact OD1-CB 3.34Å; L296-C321 PolarHBondContact N-O 2.61Å; C321-S349 WeakPolarHBondContact CA-O 3.44Å
322	L	96.6	Very high	91.3	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	111.4	178.1	179.9	59.7	0	0	0	109.8	L296 L313 L319 L324 L337 L347 S349 L350 N351	L296-L322 HydrophobicContact CB-CD1 4.36Å; L296-L322 HydrophobicContact CD2-CD1 4.08Å; L296-L322 HydrophobicContact CG-CD1 4.34Å; L296-L322 CarbonylContact O-C 3.51Å; L296-L322 WeakPolarHBondContact O-CA 3.42Å; L313-L322 HydrophobicContact CD1-CD2 4.46Å; L319-L322 HydrophobicContact CD2-CB 4.45Å; L322-L324 HydrophobicContact CD1-CD1 4.35Å; L322-L324 HydrophobicContact CD1-CD2 4.01Å; L322-L324 HydrophobicContact CD1-CG 3.94Å; L322-L324 HydrophobicContact CD2-CD1 4.02Å; L322-L324 HydrophobicContact CD2-CG 4.38Å; L322-L324 HydrophobicContact CG-CD1 4.15Å; L322-L324 HydrophobicContact CG-CG 3.94Å; L322-L337 HydrophobicContact CD2-CD2 4.29Å; L322-L347 HydrophobicContact CB-CD1 3.56Å; L322-L347 HydrophobicContact CB-CD2 4.18Å; L322-S349 PolarHBondContact N-O 3.01Å; L322-L350 HydrophobicContact CB-CD1 4.23Å; L322-L350 HydrophobicContact CD2-CD1 4.23Å; L322-L350 HydrophobicContact CG-CD1 4.24Å; L322-L350 WeakPolarHBondContact O-CA 3.45Å; L322-N351 PolarHBondContact O-N 2.76Å
323	D	97.7	Very high	91.7	Very high	25 Å²	25	45.4 Å²	45.4	13%	0.134	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	106.8	174.1	-175.9	1.3	0	0	0	110.1	L296 K297 V298 S325 N351	L296-D323 PolarHBondContact O-N 2.84Å; K297-D323 VanDerWaalsContact CA-O 3.22Å; K297-D323 WeakPolarHBondContact CA-O 3.33Å; K297-D323 HydrophobicContact CB-CB 3.89Å; K297-D323 HydrophobicContact CD-CB 4.39Å; K297-D323 WeakPolarHBondContact CD-OD2 3.45Å; K297-D323 WeakPolarHBondContact CE-OD2 3.45Å; K297-D323 HydrophobicContact CG-CB 3.84Å; K297-D323 IonicContact NZ-OD2 2.68Å; K297-D323 PolarHBondContact NZ-OD2 3.42Å; V298-D323 PolarHBondContact N-O 3.4Å; D323-S325 WeakPolarHBondContact OD1-CB 3.46Å; D323-S325 PolarHBondContact OD1-N 3.49Å; D323-S325 PolarHBondContact OD1-OG 3.22Å; D323-S325 PolarHBondContact OD2-OG 2.64Å; D323-N351 HydrophobicContact CB-CB 4.22Å; D323-N351 PolarHBondContact OD1-ND2 3.07Å
324	L	97.2	Very high	92.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.234	C	C	.	.			trans	-115	32.5	170.7	-57.7	174.5	0	0	0	110.6	V298 V301 L322 N327 I329 L337 N351 L352 N355	V298-L324 HydrophobicContact CB-CD2 3.95Å; V298-L324 HydrophobicContact CG2-CD2 4.37Å; V301-L324 HydrophobicContact CG2-CD2 4.09Å; L322-L324 HydrophobicContact CD1-CD1 4.35Å; L322-L324 HydrophobicContact CD1-CD2 4.01Å; L322-L324 HydrophobicContact CD1-CG 3.94Å; L322-L324 HydrophobicContact CD2-CD1 4.02Å; L322-L324 HydrophobicContact CD2-CG 4.38Å; L322-L324 HydrophobicContact CG-CD1 4.15Å; L322-L324 HydrophobicContact CG-CG 3.94Å; L324-N327 WeakPolarHBondContact CA-ND2 3.35Å; L324-N327 WeakPolarHBondContact O-CB 3.29Å; L324-N327 PolarHBondContact O-ND2 3.37Å; L324-I329 HydrophobicContact CB-CD1 3.59Å; L324-I329 HydrophobicContact CD1-CD1 3.66Å; L324-I329 HydrophobicContact CG-CD1 4.26Å; L324-L337 HydrophobicContact CD1-CD1 4.27Å; L324-L337 HydrophobicContact CD1-CD2 4.45Å; L324-N351 CarbonylContact C-O 3.57Å; L324-N351 PolarHBondContact N-O 3.39Å; L324-L352 HydrophobicContact CB-CD2 4.11Å; L324-N355 PolarHBondContact O-ND2 3.14Å; L324-N355 PolarHBondContact O-OD1 3.34Å
325	S	97	Very high	92.6	Very high	6 Å²	6	47.7 Å²	47.7	4%	0.042	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	150.2	175.7	57.8	0	0	0	0	113	K297 D323 N327 N351 T353	K297-S325 PolarHBondContact NZ-OG 3.23Å; D323-S325 WeakPolarHBondContact OD1-CB 3.46Å; D323-S325 PolarHBondContact OD1-N 3.49Å; D323-S325 PolarHBondContact OD1-OG 3.22Å; D323-S325 PolarHBondContact OD2-OG 2.64Å; S325-N327 PolarHBondContact O-N 3.38Å; S325-N327 PolarHBondContact O-ND2 2.73Å; S325-N351 PolarHBondContact N-O 2.93Å; S325-T353 CarbonylContact C-O 3.55Å; S325-T353 VanDerWaalsContact CA-O 3.25Å; S325-T353 WeakPolarHBondContact CA-O 3.49Å
326	H	95.5	Very high	93.5	Very high	111 Å²	111	42.4 Å²	42.4	51%	0.514	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	44.2	177.9	-57.1	-91.7	0	0	0	113.5	T353 N354	H326-T353 PolarHBondContact N-O 3.49Å; H326-N354 WeakPolarHBondContact CA-O 3.41Å; H326-N354 PolarHBondContact N-O 3Å; H326-N354 PolarHBondContact ND1-ND2 2.77Å
327	N	95.5	Very high	94	Very high	9 Å²	9	42.1 Å²	42.1	5%	0.048	21%	0.212	C	C	.	.	S	Bend	trans	-119	-179.1	177.8	-76	-53.4	0	0	0	111.2	V298 S299 H300 V301 L324 S325 I329 N354 N355	V298-N327 PolarHBondContact O-ND2 2.76Å; S299-N327 WeakPolarHBondContact CA-OD1 3.32Å; H300-N327 WeakPolarHBondContact CA-OD1 3.48Å; H300-N327 PolarHBondContact N-OD1 3.41Å; V301-N327 HydrophobicContact CB-CB 4.23Å; V301-N327 PolarHBondContact N-OD1 2.8Å; V301-N327 WeakPolarHBondContact O-CB 3.34Å; L324-N327 WeakPolarHBondContact CA-ND2 3.35Å; L324-N327 WeakPolarHBondContact O-CB 3.29Å; L324-N327 PolarHBondContact O-ND2 3.37Å; S325-N327 PolarHBondContact O-N 3.38Å; S325-N327 PolarHBondContact O-ND2 2.73Å; N327-I329 HydrophobicContact CB-CG1 4.16Å; N327-N354 PolarHBondContact N-O 3.21Å; N327-N355 WeakPolarHBondContact CB-OD1 3.39Å; N327-N355 WeakPolarHBondContact O-CA 3.25Å; N327-N355 PolarHBondContact O-OD1 2.87Å
328	A	92.5	Very high	94.6	Very high	50 Å²	50	38.3 Å²	38.3	41%	0.413	19%	0.187	S	C	.	.	B	Isolated β-bridge	trans	-116.2	50	179.2	0	0	0	0	0	111.2	V301 S303	V301-A328 PolarHBondContact O-N 3.32Å; S303-A328 PolarHBondContact N-O 2.69Å; S303-A328 VanDerWaalsContact N-O 3.13Å
329	I	94.8	Very high	95	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.199	C	C	.	.			trans	-64.9	-43.9	-176	-70.8	179.5	0	0	0	112	S303 C306 L324 N327 G333 L337 L352 N355	S303-I329 VanDerWaalsContact CA-O 3.28Å; S303-I329 WeakPolarHBondContact CA-O 3.28Å; S303-I329 WeakPolarHBondContact CB-O 3.36Å; C306-I329 HydrophobicContact CB-CD1 4.43Å; C306-I329 HydrophobicContact CB-CG1 3.97Å; C306-I329 HydrophobicContact CB-CG2 4.19Å; L324-I329 HydrophobicContact CB-CD1 3.59Å; L324-I329 HydrophobicContact CD1-CD1 3.66Å; L324-I329 HydrophobicContact CG-CD1 4.26Å; N327-I329 HydrophobicContact CB-CG1 4.16Å; I329-G333 VanDerWaalsContact CG2-C 3.48Å; I329-G333 PolarHBondContact O-N 3.05Å; I329-L337 HydrophobicContact CD1-CD1 4.29Å; I329-L337 HydrophobicContact CG2-CD1 4.46Å; I329-L352 HydrophobicContact CD1-CD2 3.73Å; I329-N355 HydrophobicContact CB-CB 4.35Å; I329-N355 WeakPolarHBondContact CB-OD1 3.03Å; I329-N355 VanDerWaalsContact CD1-OD1 3.25Å; I329-N355 WeakPolarHBondContact CD1-OD1 3.35Å; I329-N355 WeakPolarHBondContact CG1-OD1 3.31Å
330	G	93.3	Very high	95	Very high	16 Å²	16	42 Å²	42	17%	0.165	20%	0.199	C	C	.	.	H	α-helix	trans	54.4	-164.9	-178.9	0	0	0	0	0	114.6	R332 G333 I334 N355	G330-R332 PolarHBondContact O-N 3.48Å; G330-G333 PolarHBondContact O-N 3.2Å; G330-I334 WeakPolarHBondContact O-CG2 3.25Å; G330-I334 PolarHBondContact O-N 3.34Å; G330-I334 VanDerWaalsContact O-N 3.08Å; G330-N355 PolarHBondContact N-O 2.92Å; G330-N355 VanDerWaalsContact N-O 3.1Å
331	Y	94.3	Very high	94.9	Very high	103 Å²	103	38.9 Å²	38.9	40%	0.404	19%	0.185	S	C	.	.	H	α-helix	trans	-65.6	-36.7	-175.2	175.4	-103.6	0	0	0	113.9	I334 R335 T360	Y331-I334 HydrophobicContact CD2-CG2 4.36Å; Y331-I334 VanDerWaalsContact O-CG2 3.29Å; Y331-I334 WeakPolarHBondContact O-CG2 3.21Å; Y331-R335 VanDerWaalsContact O-CB 3.31Å; Y331-R335 WeakPolarHBondContact O-CB 3.46Å; Y331-R335 PolarHBondContact O-N 3.45Å; Y331-T360 WeakPolarHBondContact CD2-OG1 3.46Å
332	R	94.5	Very high	94.6	Very high	161 Å²	161	39.3 Å²	39.3	61%	0.608	19%	0.187	S	C	*	.	H	α-helix	trans	-67.9	-41.7	-178.6	-69.4	-177.1	-177.3	177.4	2.1	111.6	E304 G330 A336	E304-R332 IonicContact OE1-NH1 2.61Å; E304-R332 PolarHBondContact OE1-NH1 3.43Å; G330-R332 PolarHBondContact O-N 3.48Å; R332-A336 PolarHBondContact O-N 3.31Å
333	G	94.9	Very high	94.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-71.4	-42.7	178.8	0	0	0	0	0	111.9	I329 G330 R335 A336 L337	I329-G333 VanDerWaalsContact CG2-C 3.48Å; I329-G333 PolarHBondContact O-N 3.05Å; G330-G333 PolarHBondContact O-N 3.2Å; G333-R335 VanDerWaalsContact C-N 3.31Å; G333-R335 PolarHBondContact O-N 3.01Å; G333-A336 WeakPolarHBondContact O-CA 3.14Å; G333-A336 WeakPolarHBondContact O-CB 3.48Å; G333-A336 PolarHBondContact O-N 3.36Å; G333-L337 PolarHBondContact O-N 3.13Å
334	I	96	Very high	93.3	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.6	-35.8	177.1	-163.9	56.9	0	0	0	112.3	G330 Y331 A336 L337 S338 L352 L357 L365	G330-I334 WeakPolarHBondContact O-CG2 3.25Å; G330-I334 PolarHBondContact O-N 3.34Å; G330-I334 VanDerWaalsContact O-N 3.08Å; Y331-I334 HydrophobicContact CD2-CG2 4.36Å; Y331-I334 VanDerWaalsContact O-CG2 3.29Å; Y331-I334 WeakPolarHBondContact O-CG2 3.21Å; I334-A336 PolarHBondContact O-N 3.04Å; I334-L337 HydrophobicContact CD1-CB 4.18Å; I334-L337 HydrophobicContact CD1-CD1 4.12Å; I334-L337 CarbonylContact O-C 3.55Å; I334-L337 PolarHBondContact O-N 2.92Å; I334-S338 WeakPolarHBondContact O-CB 3.38Å; I334-S338 PolarHBondContact O-N 2.76Å; I334-S338 PolarHBondContact O-OG 3.37Å; I334-S338 VanDerWaalsContact O-OG 3.09Å; I334-L352 HydrophobicContact CD1-CD1 3.37Å; I334-L357 HydrophobicContact CB-CD2 3.86Å; I334-L357 HydrophobicContact CD1-CD1 4.45Å; I334-L357 HydrophobicContact CG1-CD2 4.25Å; I334-L357 HydrophobicContact CG2-CD2 4.2Å; I334-L365 HydrophobicContact CD1-CD1 3.92Å; I334-L365 HydrophobicContact CD1-CD2 3.67Å; I334-L365 HydrophobicContact CD1-CG 3.78Å; I334-L365 HydrophobicContact CG1-CD1 4.03Å; I334-L365 HydrophobicContact CG1-CD2 4.16Å; I334-L365 HydrophobicContact CG1-CG 3.78Å
335	R	95.8	Very high	92.8	Very high	136 Å²	136	47.3 Å²	47.3	51%	0.513	23%	0.225	S	C	.	.	H	α-helix	trans	-60.6	-34.8	173.2	-176.6	178.2	-179.7	-172	0.6	111.8	Y331 G333 K339	Y331-R335 VanDerWaalsContact O-CB 3.31Å; Y331-R335 WeakPolarHBondContact O-CB 3.46Å; Y331-R335 PolarHBondContact O-N 3.45Å; G333-R335 VanDerWaalsContact C-N 3.31Å; G333-R335 PolarHBondContact O-N 3.01Å; R335-K339 WeakPolarHBondContact O-CG 3.39Å; R335-K339 PolarHBondContact O-N 3.34Å
336	A	94.8	Very high	92.4	Very high	13 Å²	13	50.8 Å²	50.8	11%	0.107	24%	0.24	C	C	.	.	H	α-helix	trans	-72.8	-42	175.2	0	0	0	0	0	111.5	R307 A310 R332 G333 I334 S338 K339 L340	R307-A336 HydrophobicContact CB-CB 4.02Å; R307-A336 HydrophobicContact CG-CB 3.88Å; A310-A336 HydrophobicContact CB-CB 3.75Å; R332-A336 PolarHBondContact O-N 3.31Å; G333-A336 WeakPolarHBondContact O-CA 3.14Å; G333-A336 WeakPolarHBondContact O-CB 3.48Å; G333-A336 PolarHBondContact O-N 3.36Å; I334-A336 PolarHBondContact O-N 3.04Å; A336-S338 VanDerWaalsContact C-N 3.35Å; A336-S338 PolarHBondContact O-N 3.08Å; A336-K339 WeakPolarHBondContact O-CB 3.43Å; A336-K339 PolarHBondContact O-N 3.12Å; A336-K339 VanDerWaalsContact O-N 3.17Å; A336-L340 PolarHBondContact O-N 3.08Å
337	L	95.3	Very high	92.4	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.016	22%	0.217	C	C	.	.	H	α-helix	trans	-63.1	-38.6	173.4	-68.3	175.7	0	0	0	112.3	A310 L322 L324 I329 G333 I334 K339 L340 L341 L352	A310-L337 HydrophobicContact CB-CD2 4.18Å; L322-L337 HydrophobicContact CD2-CD2 4.29Å; L324-L337 HydrophobicContact CD1-CD1 4.27Å; L324-L337 HydrophobicContact CD1-CD2 4.45Å; I329-L337 HydrophobicContact CD1-CD1 4.29Å; I329-L337 HydrophobicContact CG2-CD1 4.46Å; G333-L337 PolarHBondContact O-N 3.13Å; I334-L337 HydrophobicContact CD1-CB 4.18Å; I334-L337 HydrophobicContact CD1-CD1 4.12Å; I334-L337 CarbonylContact O-C 3.55Å; I334-L337 PolarHBondContact O-N 2.92Å; L337-K339 VanDerWaalsContact C-N 3.3Å; L337-K339 PolarHBondContact O-N 3.49Å; L337-L340 HydrophobicContact CD2-CD2 4.04Å; L337-L340 WeakPolarHBondContact O-CA 3.34Å; L337-L340 VanDerWaalsContact O-CB 3.3Å; L337-L340 WeakPolarHBondContact O-CB 3.09Å; L337-L340 PolarHBondContact O-N 3.5Å; L337-L340 VanDerWaalsContact O-N 3.12Å; L337-L341 WeakPolarHBondContact O-CG 3.25Å; L337-L341 PolarHBondContact O-N 3.36Å; L337-L352 HydrophobicContact CD1-CD1 4.21Å; L337-L352 HydrophobicContact CD1-CD2 3.71Å
338	S	94.3	Very high	92.4	Very high	8 Å²	8	49.4 Å²	49.4	6%	0.056	23%	0.232	C	C	.	.	H	α-helix	trans	-58.9	-42.7	172.5	-67.1	0	0	0	0	111.2	I334 A336 L340 L341 T342 A364 L365	I334-S338 WeakPolarHBondContact O-CB 3.38Å; I334-S338 PolarHBondContact O-N 2.76Å; I334-S338 PolarHBondContact O-OG 3.37Å; I334-S338 VanDerWaalsContact O-OG 3.09Å; A336-S338 VanDerWaalsContact C-N 3.35Å; A336-S338 PolarHBondContact O-N 3.08Å; S338-L340 VanDerWaalsContact C-N 3.33Å; S338-L340 PolarHBondContact O-N 3.34Å; S338-L341 PolarHBondContact O-N 3.4Å; S338-T342 WeakPolarHBondContact O-CG2 3.3Å; S338-T342 PolarHBondContact O-N 3.17Å; S338-T342 VanDerWaalsContact O-N 3.07Å; S338-T342 PolarHBondContact O-OG1 3.49Å; S338-A364 WeakPolarHBondContact CB-O 3.19Å; S338-A364 PolarHBondContact OG-O 3.35Å; S338-L365 PolarHBondContact OG-N 3.15Å
339	K	93.1	Very high	92.7	Very high	126 Å²	126	48.1 Å²	48.1	55%	0.548	22%	0.221	S	C	.	.	H	α-helix	trans	-64.8	-37.3	174.5	-72.9	179.9	176	-171.3	0	112.6	R335 A336 L337 T342 G343	R335-K339 WeakPolarHBondContact O-CG 3.39Å; R335-K339 PolarHBondContact O-N 3.34Å; A336-K339 WeakPolarHBondContact O-CB 3.43Å; A336-K339 PolarHBondContact O-N 3.12Å; A336-K339 VanDerWaalsContact O-N 3.17Å; L337-K339 VanDerWaalsContact C-N 3.3Å; L337-K339 PolarHBondContact O-N 3.49Å; K339-T342 WeakPolarHBondContact CA-OG1 3.46Å; K339-T342 PolarHBondContact O-N 2.78Å; K339-T342 PolarHBondContact O-OG1 2.82Å; K339-G343 PolarHBondContact O-N 2.75Å
340	L	91.9	Very high	92.8	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-60.7	-45.7	173.9	171.5	65.5	0	0	0	110.9	A310 L313 Q314 A336 L337 S338 T342 G343 C345	A310-L340 HydrophobicContact CB-CB 4.33Å; A310-L340 HydrophobicContact CB-CD2 4.48Å; L313-L340 VanDerWaalsContact C-CD1 3.45Å; L313-L340 HydrophobicContact CB-CD1 3.99Å; L313-L340 HydrophobicContact CB-CD2 4.16Å; L313-L340 WeakPolarHBondContact O-CD1 3.5Å; Q314-L340 VanDerWaalsContact CA-CD1 3.47Å; Q314-L340 HydrophobicContact CB-CD1 4.45Å; A336-L340 PolarHBondContact O-N 3.08Å; L337-L340 HydrophobicContact CD2-CD2 4.04Å; L337-L340 WeakPolarHBondContact O-CA 3.34Å; L337-L340 VanDerWaalsContact O-CB 3.3Å; L337-L340 WeakPolarHBondContact O-CB 3.09Å; L337-L340 PolarHBondContact O-N 3.5Å; L337-L340 VanDerWaalsContact O-N 3.12Å; S338-L340 VanDerWaalsContact C-N 3.33Å; S338-L340 PolarHBondContact O-N 3.34Å; L340-T342 VanDerWaalsContact C-N 3.31Å; L340-T342 PolarHBondContact O-N 3.25Å; L340-G343 PolarHBondContact O-N 2.88Å; L340-C345 HydrophobicContact CD1-CB 3.94Å; L340-C345 HydrophobicContact CG-CB 4.3Å; L340-C345 WeakPolarHBondContact O-CB 3.34Å
341	L	92.4	Very high	93.1	Very high	7 Å²	7	49.1 Å²	49.1	4%	0.037	22%	0.222	C	C	.	.	H	α-helix	trans	-66.3	-29	178.6	-70.1	174.3	0	0	0	113.5	L337 S338 G343 L347 L350 L365 A368 L376	L337-L341 WeakPolarHBondContact O-CG 3.25Å; L337-L341 PolarHBondContact O-N 3.36Å; S338-L341 PolarHBondContact O-N 3.4Å; L341-G343 VanDerWaalsContact C-N 3.26Å; L341-L347 HydrophobicContact CD2-CB 4.49Å; L341-L347 HydrophobicContact CD2-CD2 4.03Å; L341-L350 HydrophobicContact CD1-CD2 4.09Å; L341-L365 HydrophobicContact CD1-CD2 4.14Å; L341-A368 HydrophobicContact CB-CB 3.92Å; L341-A368 HydrophobicContact CD1-CB 4.25Å; L341-L376 HydrophobicContact CD2-CD1 4.42Å
342	T	89.5	Confident	93.3	Very high	45 Å²	45	44.2 Å²	44.2	28%	0.276	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-4.8	171.7	57.9	0	0	0	0	113.7	S338 K339 L340 Y367 A368 Q371	S338-T342 WeakPolarHBondContact O-CG2 3.3Å; S338-T342 PolarHBondContact O-N 3.17Å; S338-T342 VanDerWaalsContact O-N 3.07Å; S338-T342 PolarHBondContact O-OG1 3.49Å; K339-T342 WeakPolarHBondContact CA-OG1 3.46Å; K339-T342 PolarHBondContact O-N 2.78Å; K339-T342 PolarHBondContact O-OG1 2.82Å; L340-T342 VanDerWaalsContact C-N 3.31Å; L340-T342 PolarHBondContact O-N 3.25Å; T342-Y367 HydrophobicContact CG2-CD1 4.45Å; T342-Y367 HydrophobicContact CG2-CE1 4.22Å; T342-A368 HydrophobicContact CG2-CB 4.01Å; T342-Q371 HydrophobicContact CG2-CB 4.43Å; T342-Q371 HydrophobicContact CG2-CG 3.56Å
343	G	85.1	Confident	93.4	Very high	14 Å²	14	36.9 Å²	36.9	14%	0.144	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-169.6	177.3	0	0	0	0	0	112.8	K339 L340 L341 C345	K339-G343 PolarHBondContact O-N 2.75Å; L340-G343 PolarHBondContact O-N 2.88Å; L341-G343 VanDerWaalsContact C-N 3.26Å; G343-C345 PolarHBondContact O-N 3.12Å
344	K	82.3	Confident	93.5	Very high	175 Å²	175	39.5 Å²	39.5	76%	0.761	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	42.4	177.2	-63.5	-173.6	177.8	-176.9	0	112.6
345	C	85.2	Confident	93.6	Very high	8 Å²	8	39.5 Å²	39.5	5%	0.054	19%	0.19	C	C	.	.			trans	-84.7	143.8	-179	-166.8	0	0	0	0	110.9	L340 G343 L347	L340-C345 HydrophobicContact CD1-CB 3.94Å; L340-C345 HydrophobicContact CG-CB 4.3Å; L340-C345 WeakPolarHBondContact O-CB 3.34Å; G343-C345 PolarHBondContact O-N 3.12Å; C345-L347 VanDerWaalsContact C-N 3.29Å; C345-L347 PolarHBondContact O-N 3.18Å
346	Q	90.1	Very high	93.6	Very high	79 Å²	79	39 Å²	39	37%	0.369	19%	0.194	S	C	.	.			trans	-91.6	16.4	178.2	-60.6	-57.8	-48.5	0	0	113.3	L319 K348	L319-Q346 CarbonylContact O-C 3.41Å; L319-Q346 VanDerWaalsContact O-C 3.26Å; Q346-K348 PolarHBondContact O-N 2.95Å
347	L	94.8	Very high	93.7	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.016	19%	0.188	C	C	.	.			trans	-69.3	116.9	-171.9	-162.9	73.1	0	0	0	111.5	L319 E320 L322 L341 C345 L350 L375 L376	L319-L347 HydrophobicContact CD2-CD1 4.35Å; L319-L347 HydrophobicContact CG-CD1 4.21Å; L319-L347 PolarHBondContact O-N 3.09Å; E320-L347 WeakPolarHBondContact O-CD1 3.49Å; L322-L347 HydrophobicContact CB-CD1 3.56Å; L322-L347 HydrophobicContact CB-CD2 4.18Å; L341-L347 HydrophobicContact CD2-CB 4.49Å; L341-L347 HydrophobicContact CD2-CD2 4.03Å; C345-L347 VanDerWaalsContact C-N 3.29Å; C345-L347 PolarHBondContact O-N 3.18Å; L347-L350 HydrophobicContact CD2-CB 3.97Å; L347-L350 HydrophobicContact CD2-CD1 4.13Å; L347-L350 HydrophobicContact CD2-CD2 4.33Å; L347-L350 HydrophobicContact CD2-CG 4.36Å; L347-L375 CarbonylContact O-C 3.47Å; L347-L376 HydrophobicContact CD2-CD1 4.44Å; L347-L376 HydrophobicContact CG-CD1 4.35Å
348	K	96	Very high	93.7	Very high	87 Å²	87	44.8 Å²	44.8	38%	0.378	22%	0.216	S	C	.	.			trans	-100.6	-30.8	178.4	-67	172.3	-175.8	163.7	0	112.2	E320 Q346 V377 Q378	E320-K348 HydrophobicContact CB-CD 4.37Å; E320-K348 VanDerWaalsContact CD-NZ 3.26Å; E320-K348 HydrophobicContact CG-CD 4.43Å; E320-K348 WeakPolarHBondContact O-CA 3.13Å; E320-K348 PolarHBondContact O-N 2.8Å; E320-K348 IonicContact OE1-NZ 2.76Å; E320-K348 PolarHBondContact OE1-NZ 3.39Å; E320-K348 IonicContact OE2-NZ 3.85Å; E320-K348 PolarHBondContact OE2-NZ 2.58Å; Q346-K348 PolarHBondContact O-N 2.95Å; K348-V377 HydrophobicContact CB-CG2 4.33Å; K348-V377 WeakPolarHBondContact O-CA 3.45Å; K348-V377 PolarHBondContact O-N 2.87Å; K348-Q378 PolarHBondContact O-N 3.43Å
349	S	97.8	Very high	93.7	Very high	24 Å²	24	45.5 Å²	45.5	17%	0.168	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	128.2	-179	-168.2	0	0	0	0	111.3	E320 C321 L322 Q378	E320-S349 PolarHBondContact O-N 3.27Å; C321-S349 WeakPolarHBondContact CA-O 3.44Å; L322-S349 PolarHBondContact N-O 3.01Å; S349-Q378 WeakPolarHBondContact CA-O 3.44Å; S349-Q378 PolarHBondContact OG-OE1 3.33Å; S349-Q378 VanDerWaalsContact OG-OE1 3.08Å
350	L	98.1	Very high	93.8	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	116.8	179.7	178.6	57	0	0	0	110	L322 L341 L347 L352 L376 Q378 L379 N380	L322-L350 HydrophobicContact CB-CD1 4.23Å; L322-L350 HydrophobicContact CD2-CD1 4.23Å; L322-L350 HydrophobicContact CG-CD1 4.24Å; L322-L350 WeakPolarHBondContact O-CA 3.45Å; L341-L350 HydrophobicContact CD1-CD2 4.09Å; L347-L350 HydrophobicContact CD2-CB 3.97Å; L347-L350 HydrophobicContact CD2-CD1 4.13Å; L347-L350 HydrophobicContact CD2-CD2 4.33Å; L347-L350 HydrophobicContact CD2-CG 4.36Å; L350-L352 HydrophobicContact CD1-CD1 4.3Å; L350-L352 HydrophobicContact CD1-CD2 4.09Å; L350-L352 HydrophobicContact CD1-CG 3.93Å; L350-L352 HydrophobicContact CD2-CD1 3.82Å; L350-L352 HydrophobicContact CD2-CG 4.32Å; L350-L352 HydrophobicContact CG-CD1 3.94Å; L350-L352 HydrophobicContact CG-CG 3.89Å; L350-L376 HydrophobicContact CB-CD1 3.7Å; L350-L376 HydrophobicContact CB-CD2 4.24Å; L350-Q378 PolarHBondContact N-O 3.47Å; L350-L379 HydrophobicContact CB-CD1 4.18Å; L350-L379 HydrophobicContact CD2-CD1 4.19Å; L350-L379 HydrophobicContact CG-CD1 4.18Å; L350-L379 WeakPolarHBondContact O-CA 3.46Å; L350-N380 PolarHBondContact O-N 2.79Å
351	N	98.4	Very high	93.9	Very high	35 Å²	35	42.8 Å²	42.8	19%	0.187	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	115.6	175.1	-173.3	0	0	0	0	110.8	L322 D323 L324 S325 T353 N380	L322-N351 PolarHBondContact O-N 2.76Å; D323-N351 HydrophobicContact CB-CB 4.22Å; D323-N351 PolarHBondContact OD1-ND2 3.07Å; L324-N351 CarbonylContact C-O 3.57Å; L324-N351 PolarHBondContact N-O 3.39Å; S325-N351 PolarHBondContact N-O 2.93Å; N351-T353 VanDerWaalsContact OD1-CB 3.31Å; N351-T353 WeakPolarHBondContact OD1-CB 3.44Å; N351-T353 PolarHBondContact OD1-N 2.97Å; N351-T353 PolarHBondContact OD1-OG1 3.25Å; N351-N380 HydrophobicContact CB-CB 4.37Å
352	L	98	Very high	94.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.214	C	C	.	.			trans	-123.6	28.5	179.6	-65.2	172.4	0	0	0	111.3	L324 I329 I334 L337 L350 N354 N355 L357 N380 L381 N384	L324-L352 HydrophobicContact CB-CD2 4.11Å; I329-L352 HydrophobicContact CD1-CD2 3.73Å; I334-L352 HydrophobicContact CD1-CD1 3.37Å; L337-L352 HydrophobicContact CD1-CD1 4.21Å; L337-L352 HydrophobicContact CD1-CD2 3.71Å; L350-L352 HydrophobicContact CD1-CD1 4.3Å; L350-L352 HydrophobicContact CD1-CD2 4.09Å; L350-L352 HydrophobicContact CD1-CG 3.93Å; L350-L352 HydrophobicContact CD2-CD1 3.82Å; L350-L352 HydrophobicContact CD2-CG 4.32Å; L350-L352 HydrophobicContact CG-CD1 3.94Å; L350-L352 HydrophobicContact CG-CG 3.89Å; L352-N354 PolarHBondContact O-N 3.3Å; L352-N355 WeakPolarHBondContact CA-ND2 3.03Å; L352-N355 PolarHBondContact O-ND2 3.19Å; L352-N355 VanDerWaalsContact O-ND2 3.08Å; L352-L357 HydrophobicContact CB-CD1 4.21Å; L352-L357 HydrophobicContact CD1-CD1 4.39Å; L352-N380 CarbonylContact C-O 3.59Å; L352-N380 WeakPolarHBondContact CA-O 3.26Å; L352-N380 PolarHBondContact N-O 3.28Å; L352-L381 HydrophobicContact CB-CD2 4.04Å; L352-L381 HydrophobicContact CD1-CD2 4.11Å; L352-N384 PolarHBondContact O-ND2 2.94Å
353	T	98.2	Very high	94.4	Very high	8 Å²	8	44.8 Å²	44.8	5%	0.049	22%	0.224	C	C	.	.			trans	-52.6	131.5	175.8	-62.4	0	0	0	0	110.6	S325 H326 N351 N355 N380 R382 M383	S325-T353 CarbonylContact C-O 3.55Å; S325-T353 VanDerWaalsContact CA-O 3.25Å; S325-T353 WeakPolarHBondContact CA-O 3.49Å; H326-T353 PolarHBondContact N-O 3.49Å; N351-T353 VanDerWaalsContact OD1-CB 3.31Å; N351-T353 WeakPolarHBondContact OD1-CB 3.44Å; N351-T353 PolarHBondContact OD1-N 2.97Å; N351-T353 PolarHBondContact OD1-OG1 3.25Å; T353-N355 PolarHBondContact O-ND2 3.07Å; T353-N355 VanDerWaalsContact O-ND2 3.12Å; T353-N380 VanDerWaalsContact OG1-CG 3.31Å; T353-N380 PolarHBondContact OG1-ND2 3.25Å; T353-N380 PolarHBondContact OG1-OD1 3.33Å; T353-R382 CarbonylContact C-O 3.43Å; T353-R382 WeakPolarHBondContact CA-O 3.42Å; T353-R382 HydrophobicContact CG2-CB 4.06Å; T353-R382 HydrophobicContact CG2-CG 4.28Å; T353-M383 HydrophobicContact CG2-CB 4.47Å; T353-M383 HydrophobicContact CG2-CE 3.39Å
354	N	97.3	Very high	94.9	Very high	55 Å²	55	44.9 Å²	44.9	29%	0.294	22%	0.223	S	C	.	.	S	Bend	trans	50.6	69.2	176.5	-170.6	38.5	0	0	0	114.4	H326 N327 L352 R382 M383	H326-N354 WeakPolarHBondContact CA-O 3.41Å; H326-N354 PolarHBondContact N-O 3Å; H326-N354 PolarHBondContact ND1-ND2 2.77Å; N327-N354 PolarHBondContact N-O 3.21Å; L352-N354 PolarHBondContact O-N 3.3Å; N354-R382 PolarHBondContact N-O 2.91Å; N354-M383 VanDerWaalsContact CA-O 3.28Å; N354-M383 WeakPolarHBondContact CA-O 3.33Å; N354-M383 HydrophobicContact CB-CB 3.96Å; N354-M383 HydrophobicContact CB-CE 4.45Å
355	N	97.2	Very high	95.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-123.4	15.8	-176.7	-94.1	-78	0	0	0	114.9	L324 N327 I329 G330 L352 T353 L357 N384	L324-N355 PolarHBondContact O-ND2 3.14Å; L324-N355 PolarHBondContact O-OD1 3.34Å; N327-N355 WeakPolarHBondContact CB-OD1 3.39Å; N327-N355 WeakPolarHBondContact O-CA 3.25Å; N327-N355 PolarHBondContact O-OD1 2.87Å; I329-N355 HydrophobicContact CB-CB 4.35Å; I329-N355 WeakPolarHBondContact CB-OD1 3.03Å; I329-N355 VanDerWaalsContact CD1-OD1 3.25Å; I329-N355 WeakPolarHBondContact CD1-OD1 3.35Å; I329-N355 WeakPolarHBondContact CG1-OD1 3.31Å; G330-N355 PolarHBondContact N-O 2.92Å; G330-N355 VanDerWaalsContact N-O 3.1Å; L352-N355 WeakPolarHBondContact CA-ND2 3.03Å; L352-N355 PolarHBondContact O-ND2 3.19Å; L352-N355 VanDerWaalsContact O-ND2 3.08Å; T353-N355 PolarHBondContact O-ND2 3.07Å; T353-N355 VanDerWaalsContact O-ND2 3.12Å; N355-L357 HydrophobicContact CB-CD1 4.39Å; N355-L357 HydrophobicContact CB-CD2 4.17Å; N355-L357 HydrophobicContact CB-CG 3.89Å; N355-L357 PolarHBondContact O-N 3.08Å; N355-N384 PolarHBondContact N-OD1 2.9Å
356	H	95.2	Very high	96.1	Very high	126 Å²	126	36.6 Å²	36.6	58%	0.583	19%	0.188	S	C	*	.			trans	54.1	34.4	-173.7	-53.8	-51.3	0	0	0	113.1	N384	H356-N384 PolarHBondContact N-OD1 3.21Å
357	L	96.7	Very high	96.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.198	C	C	.	.			trans	-73.7	135.5	175.3	-53.7	-178.4	0	0	0	109.6	I334 L352 N355 L381 N384 K385 L386	I334-L357 HydrophobicContact CB-CD2 3.86Å; I334-L357 HydrophobicContact CD1-CD1 4.45Å; I334-L357 HydrophobicContact CG1-CD2 4.25Å; I334-L357 HydrophobicContact CG2-CD2 4.2Å; L352-L357 HydrophobicContact CB-CD1 4.21Å; L352-L357 HydrophobicContact CD1-CD1 4.39Å; N355-L357 HydrophobicContact CB-CD1 4.39Å; N355-L357 HydrophobicContact CB-CD2 4.17Å; N355-L357 HydrophobicContact CB-CG 3.89Å; N355-L357 PolarHBondContact O-N 3.08Å; L357-L381 HydrophobicContact CD1-CD2 3.76Å; L357-N384 HydrophobicContact CB-CB 3.93Å; L357-N384 WeakPolarHBondContact CB-OD1 3.46Å; L357-N384 WeakPolarHBondContact CG-OD1 2.92Å; L357-N384 PolarHBondContact N-OD1 3.29Å; L357-K385 CarbonylContact O-C 3.26Å; L357-K385 WeakPolarHBondContact O-CA 3.5Å; L357-K385 PolarHBondContact O-N 3.05Å; L357-L386 HydrophobicContact CB-CD2 4.23Å
358	K	95.5	Very high	96.4	Very high	136 Å²	136	39.7 Å²	39.7	59%	0.591	20%	0.197	S	C	*	.	B	Isolated β-bridge	trans	-113.5	-179.5	-179.9	-66.2	-173.7	178.9	-178.4	0	111	T360 S361 G362 K385 L386	K358-T360 VanDerWaalsContact C-N 3.34Å; K358-T360 PolarHBondContact O-N 3.28Å; K358-S361 PolarHBondContact N-OG 2.89Å; K358-S361 WeakPolarHBondContact O-CA 3.42Å; K358-S361 WeakPolarHBondContact O-CB 3.43Å; K358-S361 PolarHBondContact O-N 3.42Å; K358-S361 PolarHBondContact O-OG 2.98Å; K358-G362 PolarHBondContact O-N 3.14Å; K358-K385 CarbonylContact C-O 3.42Å; K358-K385 VanDerWaalsContact CA-O 3.23Å; K358-K385 WeakPolarHBondContact CA-O 3.44Å; K358-L386 WeakPolarHBondContact O-CD2 3.32Å
359	S	94.7	Very high	96.4	Very high	23 Å²	23	35.6 Å²	35.6	16%	0.161	18%	0.179	C	C	.	.	H	α-helix	trans	-43.9	-50.7	175.7	54.4	0	0	0	0	115.5	S361 G362 L363 K385 L386	S359-S361 PolarHBondContact O-N 3.01Å; S359-S361 VanDerWaalsContact O-N 3.08Å; S359-G362 PolarHBondContact O-N 3.11Å; S359-L363 WeakPolarHBondContact O-CD1 3.43Å; S359-L363 PolarHBondContact O-N 3.1Å; S359-K385 PolarHBondContact N-O 3.3Å; S359-L386 WeakPolarHBondContact CA-O 3.29Å; S359-L386 WeakPolarHBondContact CB-O 3.44Å; S359-L386 PolarHBondContact N-O 3.2Å
360	T	95	Very high	96.3	Very high	72 Å²	72	36 Å²	36	44%	0.442	18%	0.182	S	C	.	.	H	α-helix	trans	-58.7	-24.6	177.5	55	0	0	0	0	114.3	Y331 K358 A364	Y331-T360 WeakPolarHBondContact CD2-OG1 3.46Å; K358-T360 VanDerWaalsContact C-N 3.34Å; K358-T360 PolarHBondContact O-N 3.28Å; T360-A364 PolarHBondContact O-N 3.24Å
361	S	95.3	Very high	96.1	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.007	20%	0.196	C	C	.	.	H	α-helix	trans	-72.4	-36.9	175.9	-52.3	0	0	0	0	111.5	K358 S359 L363 A364 L365	K358-S361 PolarHBondContact N-OG 2.89Å; K358-S361 WeakPolarHBondContact O-CA 3.42Å; K358-S361 WeakPolarHBondContact O-CB 3.43Å; K358-S361 PolarHBondContact O-N 3.42Å; K358-S361 PolarHBondContact O-OG 2.98Å; S359-S361 PolarHBondContact O-N 3.01Å; S359-S361 VanDerWaalsContact O-N 3.08Å; S361-L363 VanDerWaalsContact C-N 3.34Å; S361-L363 PolarHBondContact O-N 2.83Å; S361-A364 PolarHBondContact O-N 3.05Å; S361-L365 PolarHBondContact O-N 3.05Å
362	G	94.9	Very high	95.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.4	-40.1	174.9	0	0	0	0	0	112	K358 S359 A364 L365 A366	K358-G362 PolarHBondContact O-N 3.14Å; S359-G362 PolarHBondContact O-N 3.11Å; G362-A364 PolarHBondContact O-N 2.85Å; G362-L365 PolarHBondContact O-N 2.69Å; G362-A366 WeakPolarHBondContact O-CB 3.28Å; G362-A366 PolarHBondContact O-N 3.33Å
363	L	96.2	Very high	95.1	Very high	93 Å²	93	47.3 Å²	47.3	49%	0.487	25%	0.249	S	C	.	.	H	α-helix	trans	-62.9	-41.5	174.6	-75.3	87	0	0	0	112.6	S359 S361 A366 Y367 D389 A393	S359-L363 WeakPolarHBondContact O-CD1 3.43Å; S359-L363 PolarHBondContact O-N 3.1Å; S361-L363 VanDerWaalsContact C-N 3.34Å; S361-L363 PolarHBondContact O-N 2.83Å; L363-A366 PolarHBondContact O-N 3.48Å; L363-Y367 PolarHBondContact O-N 3.39Å; L363-D389 HydrophobicContact CD1-CB 4.47Å; L363-A393 HydrophobicContact CD1-CB 4.42Å; L363-A393 HydrophobicContact CG-CB 3.97Å
364	A	95.7	Very high	94.8	Very high	16 Å²	16	47 Å²	47	13%	0.132	25%	0.247	C	C	.	.	H	α-helix	trans	-66.4	-40.1	179	0	0	0	0	0	111.9	S338 T360 S361 G362 A368	S338-A364 WeakPolarHBondContact CB-O 3.19Å; S338-A364 PolarHBondContact OG-O 3.35Å; T360-A364 PolarHBondContact O-N 3.24Å; S361-A364 PolarHBondContact O-N 3.05Å; G362-A364 PolarHBondContact O-N 2.85Å; A364-A368 PolarHBondContact O-N 2.8Å
365	L	96.5	Very high	94.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-68.5	-42.6	174.5	-79.7	170.7	0	0	0	111.9	I334 S338 L341 S361 G362 Y367 A368 L369 L381 L394	I334-L365 HydrophobicContact CD1-CD1 3.92Å; I334-L365 HydrophobicContact CD1-CD2 3.67Å; I334-L365 HydrophobicContact CD1-CG 3.78Å; I334-L365 HydrophobicContact CG1-CD1 4.03Å; I334-L365 HydrophobicContact CG1-CD2 4.16Å; I334-L365 HydrophobicContact CG1-CG 3.78Å; S338-L365 PolarHBondContact OG-N 3.15Å; L341-L365 HydrophobicContact CD1-CD2 4.14Å; S361-L365 PolarHBondContact O-N 3.05Å; G362-L365 PolarHBondContact O-N 2.69Å; L365-Y367 VanDerWaalsContact C-N 3.3Å; L365-Y367 PolarHBondContact O-N 3.38Å; L365-A368 WeakPolarHBondContact O-CB 3.49Å; L365-A368 PolarHBondContact O-N 3.34Å; L365-L369 WeakPolarHBondContact O-CG 3.36Å; L365-L369 PolarHBondContact O-N 3.37Å; L365-L381 HydrophobicContact CD1-CD1 3.86Å; L365-L381 HydrophobicContact CD1-CD2 3.46Å; L365-L381 VanDerWaalsContact CD1-CD2 3.46Å; L365-L381 HydrophobicContact CD1-CG 4.3Å; L365-L394 HydrophobicContact CB-CD2 4Å
366	A	97.2	Very high	94.6	Very high	9 Å²	9	47.8 Å²	47.8	7%	0.074	25%	0.251	C	S	.	.	H	α-helix	trans	-56.1	-45.2	176.6	0	0	0	0	0	111.9	G362 L363 A368 L369 S370 A393 L394 A397	G362-A366 WeakPolarHBondContact O-CB 3.28Å; G362-A366 PolarHBondContact O-N 3.33Å; L363-A366 PolarHBondContact O-N 3.48Å; A366-A368 VanDerWaalsContact C-N 3.3Å; A366-A368 PolarHBondContact O-N 3.05Å; A366-L369 PolarHBondContact O-N 2.95Å; A366-S370 WeakPolarHBondContact O-CB 3.19Å; A366-S370 PolarHBondContact O-N 3.03Å; A366-S370 PolarHBondContact O-OG 2.96Å; A366-A393 VanDerWaalsContact CB-C 3.41Å; A366-A393 HydrophobicContact CB-CB 3.68Å; A366-A393 VanDerWaalsContact CB-O 3.23Å; A366-A393 WeakPolarHBondContact CB-O 3.46Å; A366-L394 HydrophobicContact CB-CD2 4.38Å; A366-A397 HydrophobicContact CB-CB 3.87Å; A366-A397 WeakPolarHBondContact O-CB 3.31Å
367	Y	95.9	Very high	94.8	Very high	148 Å²	148	43.9 Å²	43.9	58%	0.58	24%	0.236	S	C	*	.	H	α-helix	trans	-60.4	-38.8	175.4	175.7	-99.3	0	0	0	112.8	T342 L363 L365 S370 Q371	T342-Y367 HydrophobicContact CG2-CD1 4.45Å; T342-Y367 HydrophobicContact CG2-CE1 4.22Å; L363-Y367 PolarHBondContact O-N 3.39Å; L365-Y367 VanDerWaalsContact C-N 3.3Å; L365-Y367 PolarHBondContact O-N 3.38Å; Y367-S370 PolarHBondContact O-OG 2.94Å; Y367-Q371 WeakPolarHBondContact O-CG 3.4Å; Y367-Q371 PolarHBondContact O-NE2 2.87Å
368	A	95	Very high	94.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-70.1	-43.8	178	0	0	0	0	0	111.8	L341 T342 A364 L365 A366 S370 Q371 C374	L341-A368 HydrophobicContact CB-CB 3.92Å; L341-A368 HydrophobicContact CD1-CB 4.25Å; T342-A368 HydrophobicContact CG2-CB 4.01Å; A364-A368 PolarHBondContact O-N 2.8Å; L365-A368 WeakPolarHBondContact O-CB 3.49Å; L365-A368 PolarHBondContact O-N 3.34Å; A366-A368 VanDerWaalsContact C-N 3.3Å; A366-A368 PolarHBondContact O-N 3.05Å; A368-S370 VanDerWaalsContact C-N 3.27Å; A368-S370 PolarHBondContact O-N 3.39Å; A368-Q371 WeakPolarHBondContact O-CB 3.43Å; A368-Q371 PolarHBondContact O-N 2.91Å; A368-C374 WeakPolarHBondContact O-CB 3.5Å
369	L	96.4	Very high	95	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-64.4	-29.7	177.8	-70.6	173.3	0	0	0	112.9	L365 A366 Q371 L376 L379 L394 A397 N401	L365-L369 WeakPolarHBondContact O-CG 3.36Å; L365-L369 PolarHBondContact O-N 3.37Å; A366-L369 PolarHBondContact O-N 2.95Å; L369-Q371 VanDerWaalsContact C-N 3.25Å; L369-Q371 PolarHBondContact O-N 2.88Å; L369-L376 HydrophobicContact CD2-CB 4.48Å; L369-L376 HydrophobicContact CD2-CD2 4.11Å; L369-L379 HydrophobicContact CD1-CD2 3.92Å; L369-L379 HydrophobicContact CD2-CD2 4.38Å; L369-L394 HydrophobicContact CD1-CD2 3.65Å; L369-A397 HydrophobicContact CB-CB 4.09Å; L369-N401 WeakPolarHBondContact O-CB 3.38Å; L369-N401 PolarHBondContact O-ND2 3.09Å
370	S	95.1	Very high	95.2	Very high	32 Å²	32	41.7 Å²	41.7	22%	0.224	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-9.1	177.7	73	0	0	0	0	113.7	A366 Y367 A368	A366-S370 WeakPolarHBondContact O-CB 3.19Å; A366-S370 PolarHBondContact O-N 3.03Å; A366-S370 PolarHBondContact O-OG 2.96Å; Y367-S370 PolarHBondContact O-OG 2.94Å; A368-S370 VanDerWaalsContact C-N 3.27Å; A368-S370 PolarHBondContact O-N 3.39Å
371	Q	94	Very high	95.4	Very high	62 Å²	62	38.2 Å²	38.2	29%	0.29	21%	0.206	S	C	.	.	S	Bend	trans	-78.1	141.9	176.1	-58	-46	-60.5	0	0	110.5	T342 Y367 A368 L369 D373 C374	T342-Q371 HydrophobicContact CG2-CB 4.43Å; T342-Q371 HydrophobicContact CG2-CG 3.56Å; Y367-Q371 WeakPolarHBondContact O-CG 3.4Å; Y367-Q371 PolarHBondContact O-NE2 2.87Å; A368-Q371 WeakPolarHBondContact O-CB 3.43Å; A368-Q371 PolarHBondContact O-N 2.91Å; L369-Q371 VanDerWaalsContact C-N 3.25Å; L369-Q371 PolarHBondContact O-N 2.88Å; Q371-D373 PolarHBondContact O-N 3.44Å; Q371-C374 WeakPolarHBondContact O-CB 3.49Å; Q371-C374 PolarHBondContact O-N 3.18Å
372	S	86.9	Confident	95.5	Very high	110 Å²	110	43.3 Å²	43.3	77%	0.769	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-26.1	177.9	52.9	0	0	0	0	113.8	C374	S372-C374 VanDerWaalsContact C-N 3.31Å
373	D	87.2	Confident	95.6	Very high	102 Å²	102	46.4 Å²	46.4	55%	0.545	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-4.7	-174.7	-60.3	-11.8	0	0	0	112.6	Q371 L375	Q371-D373 PolarHBondContact O-N 3.44Å; D373-L375 PolarHBondContact O-N 3.23Å
374	C	92.4	Very high	95.7	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.007	22%	0.218	C	C	.	.			trans	-72.6	113.8	178.9	-168.8	0	0	0	0	110.5	A368 Q371 S372 L376 T403	A368-C374 WeakPolarHBondContact O-CB 3.5Å; Q371-C374 WeakPolarHBondContact O-CB 3.49Å; Q371-C374 PolarHBondContact O-N 3.18Å; S372-C374 VanDerWaalsContact C-N 3.31Å; C374-L376 VanDerWaalsContact C-N 3.34Å; C374-T403 WeakPolarHBondContact O-CG2 3.48Å; C374-T403 PolarHBondContact O-OG1 2.83Å
375	L	94.5	Very high	95.7	Very high	72 Å²	72	48 Å²	48	38%	0.377	24%	0.24	S	C	.	.			trans	-91.9	9	-179.1	-61.5	178.5	0	0	0	114.1	L347 D373 V377	L347-L375 CarbonylContact O-C 3.47Å; D373-L375 PolarHBondContact O-N 3.23Å; L375-V377 PolarHBondContact O-N 3.25Å
376	L	97	Very high	95.8	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.24	C	C	.	.			trans	-68.4	127.3	-172.8	-160.2	70.6	0	0	0	110.6	L341 L347 L350 L369 C374 L379 T403 L404	L341-L376 HydrophobicContact CD2-CD1 4.42Å; L347-L376 HydrophobicContact CD2-CD1 4.44Å; L347-L376 HydrophobicContact CG-CD1 4.35Å; L350-L376 HydrophobicContact CB-CD1 3.7Å; L350-L376 HydrophobicContact CB-CD2 4.24Å; L369-L376 HydrophobicContact CD2-CB 4.48Å; L369-L376 HydrophobicContact CD2-CD2 4.11Å; C374-L376 VanDerWaalsContact C-N 3.34Å; L376-L379 HydrophobicContact CD2-CB 3.74Å; L376-L379 HydrophobicContact CD2-CD1 3.98Å; L376-L379 HydrophobicContact CD2-CD2 4.06Å; L376-L379 HydrophobicContact CD2-CG 4.13Å; L376-T403 CarbonylContact O-C 3.6Å; L376-T403 VanDerWaalsContact O-C 3.31Å; L376-T403 WeakPolarHBondContact O-CB 3.41Å; L376-T403 PolarHBondContact O-OG1 3.2Å; L376-L404 HydrophobicContact CB-CD1 4.27Å; L376-L404 HydrophobicContact CD2-CD1 4.11Å; L376-L404 HydrophobicContact CG-CD1 4.01Å; L376-L404 VanDerWaalsContact O-CA 3.31Å; L376-L404 WeakPolarHBondContact O-CA 3.48Å; L376-L404 PolarHBondContact O-N 3.37Å
377	V	98.1	Very high	95.8	Very high	43 Å²	43	51.4 Å²	51.4	26%	0.261	26%	0.255	S	S	.	.			trans	-105.2	-35.4	179.1	-178.1	0	0	0	0	110.7	K348 L375 K405 E406	K348-V377 HydrophobicContact CB-CG2 4.33Å; K348-V377 WeakPolarHBondContact O-CA 3.45Å; K348-V377 PolarHBondContact O-N 2.87Å; L375-V377 PolarHBondContact O-N 3.25Å; V377-K405 HydrophobicContact CG1-CB 3.89Å; V377-K405 HydrophobicContact CG1-CD 3.88Å; V377-K405 HydrophobicContact CG1-CG 3.92Å; V377-K405 PolarHBondContact O-N 2.92Å; V377-E406 PolarHBondContact O-N 2.96Å
378	Q	98.6	Very high	95.9	Very high	68 Å²	68	45.5 Å²	45.5	32%	0.318	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	127.8	-178.4	-60.6	178	-21.7	0	0	110.6	K348 S349 L350 E406	K348-Q378 PolarHBondContact O-N 3.43Å; S349-Q378 WeakPolarHBondContact CA-O 3.44Å; S349-Q378 PolarHBondContact OG-OE1 3.33Å; S349-Q378 VanDerWaalsContact OG-OE1 3.08Å; L350-Q378 PolarHBondContact N-O 3.47Å; Q378-E406 WeakPolarHBondContact CA-O 3.31Å; Q378-E406 HydrophobicContact CB-CB 4.35Å; Q378-E406 HydrophobicContact CG-CB 4.01Å; Q378-E406 HydrophobicContact CG-CG 4.08Å; Q378-E406 VanDerWaalsContact NE2-CD 3.31Å; Q378-E406 PolarHBondContact NE2-OE1 2.8Å; Q378-E406 PolarHBondContact NE2-OE2 3.09Å
379	L	98.7	Very high	96	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	118.1	177.6	-179.5	53.2	0	0	0	110.2	L350 L369 L376 L381 L404 E406 L407 N408	L350-L379 HydrophobicContact CB-CD1 4.18Å; L350-L379 HydrophobicContact CD2-CD1 4.19Å; L350-L379 HydrophobicContact CG-CD1 4.18Å; L350-L379 WeakPolarHBondContact O-CA 3.46Å; L369-L379 HydrophobicContact CD1-CD2 3.92Å; L369-L379 HydrophobicContact CD2-CD2 4.38Å; L376-L379 HydrophobicContact CD2-CB 3.74Å; L376-L379 HydrophobicContact CD2-CD1 3.98Å; L376-L379 HydrophobicContact CD2-CD2 4.06Å; L376-L379 HydrophobicContact CD2-CG 4.13Å; L379-L381 HydrophobicContact CD1-CD1 4.35Å; L379-L381 HydrophobicContact CD1-CD2 4.15Å; L379-L381 HydrophobicContact CD1-CG 3.98Å; L379-L381 HydrophobicContact CD2-CD1 3.81Å; L379-L381 HydrophobicContact CD2-CG 4.34Å; L379-L381 HydrophobicContact CG-CD1 3.9Å; L379-L381 HydrophobicContact CG-CG 3.91Å; L379-L404 HydrophobicContact CB-CD1 3.8Å; L379-L404 HydrophobicContact CB-CD2 4.39Å; L379-E406 PolarHBondContact N-O 3.34Å; L379-L407 HydrophobicContact CB-CD1 4.1Å; L379-L407 HydrophobicContact CD2-CD1 4.1Å; L379-L407 HydrophobicContact CG-CD1 4.08Å; L379-L407 WeakPolarHBondContact O-CA 3.44Å; L379-N408 PolarHBondContact O-N 2.86Å
380	N	98.6	Very high	96.1	Very high	41 Å²	41	50.5 Å²	50.5	22%	0.219	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	114.9	175.2	-169.9	-13.9	0	0	0	110.9	L350 N351 L352 T353 R382 N408	L350-N380 PolarHBondContact O-N 2.79Å; N351-N380 HydrophobicContact CB-CB 4.37Å; L352-N380 CarbonylContact C-O 3.59Å; L352-N380 WeakPolarHBondContact CA-O 3.26Å; L352-N380 PolarHBondContact N-O 3.28Å; T353-N380 VanDerWaalsContact OG1-CG 3.31Å; T353-N380 PolarHBondContact OG1-ND2 3.25Å; T353-N380 PolarHBondContact OG1-OD1 3.33Å; N380-R382 WeakPolarHBondContact OD1-CB 3.38Å; N380-R382 PolarHBondContact OD1-N 3Å; N380-N408 HydrophobicContact CB-CB 4.33Å
381	L	98.4	Very high	96.2	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.249	C	C	.	.			trans	-117.9	18.9	-179.2	-67	165.4	0	0	0	112	L352 L357 L365 L379 N384 L386 L394 L407 N408 L409 N412	L352-L381 HydrophobicContact CB-CD2 4.04Å; L352-L381 HydrophobicContact CD1-CD2 4.11Å; L357-L381 HydrophobicContact CD1-CD2 3.76Å; L365-L381 HydrophobicContact CD1-CD1 3.86Å; L365-L381 HydrophobicContact CD1-CD2 3.46Å; L365-L381 VanDerWaalsContact CD1-CD2 3.46Å; L365-L381 HydrophobicContact CD1-CG 4.3Å; L379-L381 HydrophobicContact CD1-CD1 4.35Å; L379-L381 HydrophobicContact CD1-CD2 4.15Å; L379-L381 HydrophobicContact CD1-CG 3.98Å; L379-L381 HydrophobicContact CD2-CD1 3.81Å; L379-L381 HydrophobicContact CD2-CG 4.34Å; L379-L381 HydrophobicContact CG-CD1 3.9Å; L379-L381 HydrophobicContact CG-CG 3.91Å; L381-N384 PolarHBondContact O-ND2 2.84Å; L381-L386 HydrophobicContact CB-CD1 4.22Å; L381-L386 HydrophobicContact CD1-CD1 4.05Å; L381-L394 HydrophobicContact CD1-CD1 3.78Å; L381-L407 HydrophobicContact CD1-CD1 4.35Å; L381-N408 WeakPolarHBondContact CA-O 3.46Å; L381-N408 PolarHBondContact N-O 3.47Å; L381-L409 HydrophobicContact CB-CD2 4.02Å; L381-L409 HydrophobicContact CD1-CD2 3.93Å; L381-N412 PolarHBondContact O-ND2 3.3Å
382	R	98	Very high	96.4	Very high	108 Å²	108	47.2 Å²	47.2	41%	0.408	24%	0.241	S	C	.	.			trans	-54.8	150.9	-176.4	176.4	170.1	179	-157.1	-0.2	113.2	T353 N354 N380 N384 A410	T353-R382 CarbonylContact C-O 3.43Å; T353-R382 WeakPolarHBondContact CA-O 3.42Å; T353-R382 HydrophobicContact CG2-CB 4.06Å; T353-R382 HydrophobicContact CG2-CG 4.28Å; N354-R382 PolarHBondContact N-O 2.91Å; N380-R382 WeakPolarHBondContact OD1-CB 3.38Å; N380-R382 PolarHBondContact OD1-N 3Å; R382-N384 VanDerWaalsContact C-N 3.33Å; R382-N384 PolarHBondContact O-N 3.31Å; R382-N384 PolarHBondContact O-ND2 3.04Å; R382-A410 CarbonylContact C-O 3.48Å; R382-A410 VanDerWaalsContact CA-O 3.22Å; R382-A410 WeakPolarHBondContact CA-O 3.05Å; R382-A410 HydrophobicContact CG-CB 4.05Å
383	M	97.5	Very high	96.9	Very high	64 Å²	64	42.8 Å²	42.8	32%	0.315	21%	0.212	S	C	.	.	S	Bend	trans	57.7	41.7	175.3	-71.9	-177.3	-67.1	0	0	113.4	T353 N354 A410 V411	T353-M383 HydrophobicContact CG2-CB 4.47Å; T353-M383 HydrophobicContact CG2-CE 3.39Å; N354-M383 VanDerWaalsContact CA-O 3.28Å; N354-M383 WeakPolarHBondContact CA-O 3.33Å; N354-M383 HydrophobicContact CB-CB 3.96Å; N354-M383 HydrophobicContact CB-CE 4.45Å; M383-A410 PolarHBondContact N-O 3Å; M383-V411 CarbonylContact C-O 3.4Å; M383-V411 VanDerWaalsContact CA-O 3.26Å; M383-V411 WeakPolarHBondContact CA-O 3.48Å; M383-V411 HydrophobicContact CG-CB 4.07Å; M383-V411 HydrophobicContact CG-CG1 4.21Å; M383-V411 HydrophobicContact CG-CG2 4.28Å; M383-V411 PolarHBondContact N-O 3.06Å
384	N	97.6	Very high	97.5	Very high	8 Å²	8	38 Å²	38	4%	0.043	19%	0.186	C	C	.	.			trans	-115.2	-171.3	170.8	-75.3	-68.8	0	0	0	109.8	L352 N355 H356 L357 L381 R382 V411 N412	L352-N384 PolarHBondContact O-ND2 2.94Å; N355-N384 PolarHBondContact N-OD1 2.9Å; H356-N384 PolarHBondContact N-OD1 3.21Å; L357-N384 HydrophobicContact CB-CB 3.93Å; L357-N384 WeakPolarHBondContact CB-OD1 3.46Å; L357-N384 WeakPolarHBondContact CG-OD1 2.92Å; L357-N384 PolarHBondContact N-OD1 3.29Å; L381-N384 PolarHBondContact O-ND2 2.84Å; R382-N384 VanDerWaalsContact C-N 3.33Å; R382-N384 PolarHBondContact O-N 3.31Å; R382-N384 PolarHBondContact O-ND2 3.04Å; N384-V411 PolarHBondContact N-O 3Å; N384-V411 VanDerWaalsContact N-O 3.14Å; N384-N412 VanDerWaalsContact CB-OD1 3.25Å; N384-N412 WeakPolarHBondContact CB-OD1 3.49Å; N384-N412 WeakPolarHBondContact O-CA 3.45Å
385	K	96.3	Very high	97.8	Very high	135 Å²	135	38 Å²	38	59%	0.587	19%	0.186	S	C	*	.	B	Isolated β-bridge	trans	-127.5	52.9	178	-65.3	-168.1	176.2	-168	0	110.3	L357 K358 S359 Q387	L357-K385 CarbonylContact O-C 3.26Å; L357-K385 WeakPolarHBondContact O-CA 3.5Å; L357-K385 PolarHBondContact O-N 3.05Å; K358-K385 CarbonylContact C-O 3.42Å; K358-K385 VanDerWaalsContact CA-O 3.23Å; K358-K385 WeakPolarHBondContact CA-O 3.44Å; S359-K385 PolarHBondContact N-O 3.3Å; K385-Q387 PolarHBondContact O-N 3.23Å
386	L	97.6	Very high	97.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.19	C	C	.	.			trans	-62.8	-28.4	-179.3	-69	177.6	0	0	0	112.4	L357 K358 S359 L381 G390 L394 L409 N412 L414	L357-L386 HydrophobicContact CB-CD2 4.23Å; K358-L386 WeakPolarHBondContact O-CD2 3.32Å; S359-L386 WeakPolarHBondContact CA-O 3.29Å; S359-L386 WeakPolarHBondContact CB-O 3.44Å; S359-L386 PolarHBondContact N-O 3.2Å; L381-L386 HydrophobicContact CB-CD1 4.22Å; L381-L386 HydrophobicContact CD1-CD1 4.05Å; L386-G390 WeakPolarHBondContact O-CA 3.31Å; L386-G390 PolarHBondContact O-N 3.31Å; L386-G390 VanDerWaalsContact O-N 3.15Å; L386-L394 HydrophobicContact CD1-CD1 3.87Å; L386-L409 HydrophobicContact CD1-CD2 3.6Å; L386-N412 HydrophobicContact CB-CB 4.32Å; L386-N412 WeakPolarHBondContact CD1-OD1 3.34Å; L386-N412 WeakPolarHBondContact CG-OD1 3.36Å; L386-N412 PolarHBondContact N-O 2.9Å; L386-N412 PolarHBondContact N-OD1 2.9Å; L386-L414 HydrophobicContact CB-CD2 4.48Å
387	Q	97.8	Very high	98	Very high	81 Å²	81	40 Å²	40	38%	0.379	19%	0.192	S	C	.	.	H	α-helix	trans	55.5	-176.2	-179.3	-61.7	174.4	-17.3	0	0	112.3	K385 D389 G390 G391 N412 D413 L414	K385-Q387 PolarHBondContact O-N 3.23Å; Q387-D389 PolarHBondContact O-N 2.97Å; Q387-G390 PolarHBondContact O-N 3.49Å; Q387-G391 PolarHBondContact O-N 2.9Å; Q387-N412 PolarHBondContact N-O 3.08Å; Q387-D413 WeakPolarHBondContact CA-O 3.41Å; Q387-D413 HydrophobicContact CG-CB 4.18Å; Q387-L414 WeakPolarHBondContact O-CD2 3.18Å
388	D	97.8	Very high	97.9	Very high	24 Å²	24	38.1 Å²	38.1	13%	0.128	18%	0.181	C	C	.	.	H	α-helix	trans	-61.6	-43.3	-177.2	-85.5	-15.7	0	0	0	113.5	G390 G391 I392 H415 N417 T418	D388-G390 VanDerWaalsContact C-N 3.3Å; D388-G390 PolarHBondContact O-N 2.82Å; D388-G391 PolarHBondContact O-N 3.27Å; D388-I392 HydrophobicContact CB-CD1 4.2Å; D388-I392 VanDerWaalsContact O-CB 3.26Å; D388-I392 WeakPolarHBondContact O-CB 3.44Å; D388-I392 WeakPolarHBondContact O-CD1 3.19Å; D388-I392 WeakPolarHBondContact O-CG1 3.41Å; D388-I392 PolarHBondContact O-N 2.84Å; D388-H415 WeakPolarHBondContact OD1-CA 3.47Å; D388-H415 PolarHBondContact OD1-N 3.35Å; D388-H415 IonicContact OD2-CD2 3.65Å; D388-N417 WeakPolarHBondContact OD2-CB 3.09Å; D388-N417 PolarHBondContact OD2-ND2 3.42Å; D388-T418 VanDerWaalsContact CA-OG1 3.31Å; D388-T418 WeakPolarHBondContact CA-OG1 3.39Å; D388-T418 WeakPolarHBondContact OD1-CB 3.07Å; D388-T418 PolarHBondContact OD1-N 3.21Å; D388-T418 PolarHBondContact OD1-OG1 2.88Å
389	D	97.7	Very high	97.8	Very high	105 Å²	105	38 Å²	38	56%	0.561	18%	0.182	S	C	*	.	H	α-helix	trans	-58.2	-42.9	180	-72	-18.6	0	0	0	112.4	L363 Q387 A393	L363-D389 HydrophobicContact CD1-CB 4.47Å; Q387-D389 PolarHBondContact O-N 2.97Å; D389-A393 WeakPolarHBondContact O-CB 3.26Å; D389-A393 PolarHBondContact O-N 3.38Å
390	G	97.4	Very high	97.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-71.3	-42.6	177.7	0	0	0	0	0	112.3	L386 Q387 D388 A393 L394	L386-G390 WeakPolarHBondContact O-CA 3.31Å; L386-G390 PolarHBondContact O-N 3.31Å; L386-G390 VanDerWaalsContact O-N 3.15Å; Q387-G390 PolarHBondContact O-N 3.49Å; D388-G390 VanDerWaalsContact C-N 3.3Å; D388-G390 PolarHBondContact O-N 2.82Å; G390-A393 PolarHBondContact O-N 3.25Å; G390-L394 WeakPolarHBondContact O-CG 3.23Å; G390-L394 PolarHBondContact O-N 3.49Å; G390-L394 VanDerWaalsContact O-N 3.13Å
391	G	98	Very high	97.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63.5	-45.6	177.5	0	0	0	0	0	113.1	Q387 D388 A393 L394 A395	Q387-G391 PolarHBondContact O-N 2.9Å; D388-G391 PolarHBondContact O-N 3.27Å; G391-A393 VanDerWaalsContact C-N 3.32Å; G391-A393 PolarHBondContact O-N 2.97Å; G391-L394 PolarHBondContact O-N 3.44Å; G391-A395 PolarHBondContact O-N 3.49Å
392	I	98.5	Very high	97.4	Very high	26 Å²	26	47.2 Å²	47.2	13%	0.133	23%	0.234	C	C	.	.	H	α-helix	trans	-62.1	-40.9	176.7	-67.8	167.2	0	0	0	110.8	D388 A395 K396 N417 Y421	D388-I392 HydrophobicContact CB-CD1 4.2Å; D388-I392 VanDerWaalsContact O-CB 3.26Å; D388-I392 WeakPolarHBondContact O-CB 3.44Å; D388-I392 WeakPolarHBondContact O-CD1 3.19Å; D388-I392 WeakPolarHBondContact O-CG1 3.41Å; D388-I392 PolarHBondContact O-N 2.84Å; I392-A395 PolarHBondContact O-N 3.14Å; I392-K396 HydrophobicContact CG2-CD 4.24Å; I392-K396 WeakPolarHBondContact O-CG 3.25Å; I392-K396 PolarHBondContact O-N 2.84Å; I392-N417 HydrophobicContact CD1-CB 4.05Å; I392-Y421 HydrophobicContact CB-CD2 4.32Å; I392-Y421 HydrophobicContact CB-CG 4.45Å; I392-Y421 HydrophobicContact CD1-CD2 4.03Å; I392-Y421 HydrophobicContact CD1-CE2 4.05Å; I392-Y421 HydrophobicContact CG1-CD2 3.67Å; I392-Y421 HydrophobicContact CG1-CE2 4.15Å; I392-Y421 HydrophobicContact CG1-CG 4.19Å; I392-Y421 HydrophobicContact CG2-CD1 3.97Å; I392-Y421 HydrophobicContact CG2-CD2 3.82Å; I392-Y421 HydrophobicContact CG2-CE1 4.08Å; I392-Y421 HydrophobicContact CG2-CE2 3.93Å; I392-Y421 HydrophobicContact CG2-CG 3.83Å
393	A	98.3	Very high	97.3	Very high	17 Å²	17	43.7 Å²	43.7	14%	0.14	22%	0.224	C	C	.	.	H	α-helix	trans	-61.4	-45.1	176.8	0	0	0	0	0	111.4	L363 A366 D389 G390 G391 K396 A397	L363-A393 HydrophobicContact CD1-CB 4.42Å; L363-A393 HydrophobicContact CG-CB 3.97Å; A366-A393 VanDerWaalsContact CB-C 3.41Å; A366-A393 HydrophobicContact CB-CB 3.68Å; A366-A393 VanDerWaalsContact CB-O 3.23Å; A366-A393 WeakPolarHBondContact CB-O 3.46Å; D389-A393 WeakPolarHBondContact O-CB 3.26Å; D389-A393 PolarHBondContact O-N 3.38Å; G390-A393 PolarHBondContact O-N 3.25Å; G391-A393 VanDerWaalsContact C-N 3.32Å; G391-A393 PolarHBondContact O-N 2.97Å; A393-K396 PolarHBondContact O-N 2.9Å; A393-A397 PolarHBondContact O-N 3.05Å
394	L	98.4	Very high	97.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.3	-44.2	176.3	-69.3	172.8	0	0	0	111.8	L365 A366 L369 L381 L386 G390 G391 K396 A397 L398 L409	L365-L394 HydrophobicContact CB-CD2 4Å; A366-L394 HydrophobicContact CB-CD2 4.38Å; L369-L394 HydrophobicContact CD1-CD2 3.65Å; L381-L394 HydrophobicContact CD1-CD1 3.78Å; L386-L394 HydrophobicContact CD1-CD1 3.87Å; G390-L394 WeakPolarHBondContact O-CG 3.23Å; G390-L394 PolarHBondContact O-N 3.49Å; G390-L394 VanDerWaalsContact O-N 3.13Å; G391-L394 PolarHBondContact O-N 3.44Å; L394-K396 VanDerWaalsContact C-N 3.31Å; L394-K396 PolarHBondContact O-N 3.04Å; L394-A397 PolarHBondContact O-N 3.48Å; L394-A397 VanDerWaalsContact O-N 3.13Å; L394-L398 WeakPolarHBondContact O-CG 3.2Å; L394-L398 PolarHBondContact O-N 3.27Å; L394-L409 HydrophobicContact CD1-CD1 4.32Å; L394-L409 HydrophobicContact CD1-CD2 3.67Å
395	A	98.3	Very high	97.4	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.008	23%	0.229	C	C	.	.	H	α-helix	trans	-58	-42.8	176	0	0	0	0	0	112.2	G391 I392 L398 F422 A425	G391-A395 PolarHBondContact O-N 3.49Å; I392-A395 PolarHBondContact O-N 3.14Å; A395-L398 PolarHBondContact O-N 3.48Å; A395-F422 HydrophobicContact CB-CD1 4.38Å; A395-F422 HydrophobicContact CB-CD2 3.81Å; A395-F422 HydrophobicContact CB-CE1 4.45Å; A395-F422 HydrophobicContact CB-CE2 3.88Å; A395-F422 HydrophobicContact CB-CG 4.05Å; A395-F422 HydrophobicContact CB-CZ 4.19Å; A395-A425 HydrophobicContact CB-CB 4.43Å; A395-A425 VanDerWaalsContact O-CB 3.27Å; A395-A425 WeakPolarHBondContact O-CB 3.48Å
396	K	98	Very high	97.5	Very high	110 Å²	110	42.1 Å²	42.1	48%	0.478	22%	0.216	S	C	.	.	H	α-helix	trans	-64.5	-40.7	175	-73	176	-179.9	177.3	0	112.3	I392 A393 L394 L398 I399 Y421	I392-K396 HydrophobicContact CG2-CD 4.24Å; I392-K396 WeakPolarHBondContact O-CG 3.25Å; I392-K396 PolarHBondContact O-N 2.84Å; A393-K396 PolarHBondContact O-N 2.9Å; L394-K396 VanDerWaalsContact C-N 3.31Å; L394-K396 PolarHBondContact O-N 3.04Å; K396-L398 VanDerWaalsContact C-N 3.29Å; K396-L398 PolarHBondContact O-N 2.97Å; K396-I399 WeakPolarHBondContact O-CB 3.3Å; K396-I399 PolarHBondContact O-N 2.8Å; K396-Y421 HydrophobicContact CG-CD1 4.28Å
397	A	97.6	Very high	97.6	Very high	5 Å²	5	42.3 Å²	42.3	4%	0.041	22%	0.217	C	C	.	.	H	α-helix	trans	-64.4	-35.1	178	0	0	0	0	0	112.3	A366 L369 A393 L394 I399 Q400 N401	A366-A397 HydrophobicContact CB-CB 3.87Å; A366-A397 WeakPolarHBondContact O-CB 3.31Å; L369-A397 HydrophobicContact CB-CB 4.09Å; A393-A397 PolarHBondContact O-N 3.05Å; L394-A397 PolarHBondContact O-N 3.48Å; L394-A397 VanDerWaalsContact O-N 3.13Å; A397-I399 PolarHBondContact O-N 3.21Å; A397-Q400 PolarHBondContact O-N 2.85Å; A397-Q400 VanDerWaalsContact O-N 3.09Å; A397-N401 WeakPolarHBondContact O-CB 3.22Å; A397-N401 PolarHBondContact O-N 2.94Å
398	L	97.4	Very high	97.6	Very high	4 Å²	4	40 Å²	40	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-60.7	-30.4	176.4	-71.6	174.5	0	0	0	113	L394 A395 K396 Q400 N401 L404 L407 F422 A425 N429 L432	L394-L398 WeakPolarHBondContact O-CG 3.2Å; L394-L398 PolarHBondContact O-N 3.27Å; A395-L398 PolarHBondContact O-N 3.48Å; K396-L398 VanDerWaalsContact C-N 3.29Å; K396-L398 PolarHBondContact O-N 2.97Å; L398-Q400 PolarHBondContact O-N 2.8Å; L398-N401 PolarHBondContact O-N 2.97Å; L398-L404 HydrophobicContact CD2-CD2 3.84Å; L398-L407 HydrophobicContact CD1-CD2 3.9Å; L398-F422 HydrophobicContact CD1-CD1 4.15Å; L398-F422 HydrophobicContact CD1-CE1 3.46Å; L398-F422 VanDerWaalsContact CD1-CE1 3.46Å; L398-F422 HydrophobicContact CD1-CZ 4.25Å; L398-A425 HydrophobicContact CB-CB 4.49Å; L398-N429 PolarHBondContact O-ND2 3.46Å; L398-L432 HydrophobicContact CD1-CD2 4.23Å; L398-L432 HydrophobicContact CD2-CD1 4.5Å
399	I	96.4	Very high	97.6	Very high	66 Å²	66	38.9 Å²	38.9	34%	0.338	20%	0.201	S	C	.	.	H	α-helix	trans	-59.5	-32.8	177.3	-61.8	170.1	0	0	0	111.1	K396 A397 A425 Q428	K396-I399 WeakPolarHBondContact O-CB 3.3Å; K396-I399 PolarHBondContact O-N 2.8Å; A397-I399 PolarHBondContact O-N 3.21Å; I399-A425 HydrophobicContact CG1-CB 4Å; I399-Q428 HydrophobicContact CG2-CB 4.09Å; I399-Q428 HydrophobicContact CG2-CG 4.45Å
400	Q	94.5	Very high	97.7	Very high	139 Å²	139	33.9 Å²	33.9	65%	0.65	18%	0.175	S	C	*	.	H	α-helix	trans	-97.3	-21.8	-179	-63.5	179.9	-11.3	0	0	113	A397 L398	A397-Q400 PolarHBondContact O-N 2.85Å; A397-Q400 VanDerWaalsContact O-N 3.09Å; L398-Q400 PolarHBondContact O-N 2.8Å
401	N	96.5	Very high	97.7	Very high	7 Å²	7	36.4 Å²	36.4	4%	0.037	19%	0.19	C	C	.	.			trans	-80.6	128.1	-178	-174.2	-81.1	0	0	0	111.4	L369 A397 L398 T403 L404 N429	L369-N401 WeakPolarHBondContact O-CB 3.38Å; L369-N401 PolarHBondContact O-ND2 3.09Å; A397-N401 WeakPolarHBondContact O-CB 3.22Å; A397-N401 PolarHBondContact O-N 2.94Å; L398-N401 PolarHBondContact O-N 2.97Å; N401-T403 PolarHBondContact ND2-OG1 2.98Å; N401-T403 PolarHBondContact OD1-N 3.29Å; N401-T403 PolarHBondContact OD1-OG1 3.35Å; N401-L404 VanDerWaalsContact OD1-CB 3.25Å; N401-L404 WeakPolarHBondContact OD1-CB 3.46Å; N401-L404 PolarHBondContact OD1-N 2.82Å; N401-N429 PolarHBondContact O-ND2 3.28Å
402	S	95.3	Very high	97.7	Very high	91 Å²	91	36.4 Å²	36.4	64%	0.636	19%	0.19	S	C	*	.	S	Bend	trans	-117.2	15.3	179.4	58.3	0	0	0	0	113.7	T431	S402-T431 VanDerWaalsContact C-CG2 3.44Å; S402-T431 WeakPolarHBondContact CA-OG1 3.21Å; S402-T431 WeakPolarHBondContact O-CG2 3.4Å; S402-T431 PolarHBondContact O-OG1 2.94Å
403	T	96.9	Very high	97.6	Very high	34 Å²	34	38.1 Å²	38.1	21%	0.209	20%	0.199	C	C	.	.	S	Bend	trans	-115.5	-35.7	-177	63	0	0	0	0	113.8	C374 L376 N401 K405	C374-T403 WeakPolarHBondContact O-CG2 3.48Å; C374-T403 PolarHBondContact O-OG1 2.83Å; L376-T403 CarbonylContact O-C 3.6Å; L376-T403 VanDerWaalsContact O-C 3.31Å; L376-T403 WeakPolarHBondContact O-CB 3.41Å; L376-T403 PolarHBondContact O-OG1 3.2Å; N401-T403 PolarHBondContact ND2-OG1 2.98Å; N401-T403 PolarHBondContact OD1-N 3.29Å; N401-T403 PolarHBondContact OD1-OG1 3.35Å; T403-K405 PolarHBondContact O-N 2.9Å
404	L	98.3	Very high	97.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.193	C	C	.	.			trans	-73.8	117.9	-172.9	-163.7	76.4	0	0	0	110.2	L376 L379 L398 N401 L407 L432	L376-L404 HydrophobicContact CB-CD1 4.27Å; L376-L404 HydrophobicContact CD2-CD1 4.11Å; L376-L404 HydrophobicContact CG-CD1 4.01Å; L376-L404 VanDerWaalsContact O-CA 3.31Å; L376-L404 WeakPolarHBondContact O-CA 3.48Å; L376-L404 PolarHBondContact O-N 3.37Å; L379-L404 HydrophobicContact CB-CD1 3.8Å; L379-L404 HydrophobicContact CB-CD2 4.39Å; L398-L404 HydrophobicContact CD2-CD2 3.84Å; N401-L404 VanDerWaalsContact OD1-CB 3.25Å; N401-L404 WeakPolarHBondContact OD1-CB 3.46Å; N401-L404 PolarHBondContact OD1-N 2.82Å; L404-L407 HydrophobicContact CD2-CB 4.02Å; L404-L407 HydrophobicContact CD2-CD1 4.28Å; L404-L407 HydrophobicContact CD2-CD2 4.41Å; L404-L407 HydrophobicContact CD2-CG 4.47Å; L404-L432 HydrophobicContact CD2-CD1 4.49Å; L404-L432 HydrophobicContact CG-CD1 4.5Å
405	K	98.4	Very high	97.6	Very high	104 Å²	104	40.2 Å²	40.2	45%	0.452	21%	0.206	S	C	.	.			trans	-100.9	-34.1	179.2	-67.8	-173.9	-178.8	-177.8	0	112	V377 T403 T431 L432 T433 H434	V377-K405 HydrophobicContact CG1-CB 3.89Å; V377-K405 HydrophobicContact CG1-CD 3.88Å; V377-K405 HydrophobicContact CG1-CG 3.92Å; V377-K405 PolarHBondContact O-N 2.92Å; T403-K405 PolarHBondContact O-N 2.9Å; K405-T431 HydrophobicContact CG-CG2 4.4Å; K405-L432 WeakPolarHBondContact O-CD1 3.39Å; K405-T433 PolarHBondContact O-N 3.37Å; K405-T433 PolarHBondContact O-OG1 2.82Å; K405-T433 VanDerWaalsContact O-OG1 3.09Å; K405-H434 PolarHBondContact O-N 2.88Å
406	E	98.7	Very high	97.5	Very high	71 Å²	71	44.6 Å²	44.6	33%	0.332	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	123	-175.8	-52.6	178	-150.2	0	0	110.8	V377 Q378 L379 H434	V377-E406 PolarHBondContact O-N 2.96Å; Q378-E406 WeakPolarHBondContact CA-O 3.31Å; Q378-E406 HydrophobicContact CB-CB 4.35Å; Q378-E406 HydrophobicContact CG-CB 4.01Å; Q378-E406 HydrophobicContact CG-CG 4.08Å; Q378-E406 VanDerWaalsContact NE2-CD 3.31Å; Q378-E406 PolarHBondContact NE2-OE1 2.8Å; Q378-E406 PolarHBondContact NE2-OE2 3.09Å; L379-E406 PolarHBondContact N-O 3.34Å; E406-H434 WeakPolarHBondContact CA-O 3.23Å; E406-H434 HydrophobicContact CB-CB 4.2Å; E406-H434 HydrophobicContact CG-CB 3.95Å
407	L	98.8	Very high	97.5	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	117.1	177.2	178.5	58.2	0	0	0	109.9	L379 L381 L398 L404 L409 F422 L432 H434 L435 D436	L379-L407 HydrophobicContact CB-CD1 4.1Å; L379-L407 HydrophobicContact CD2-CD1 4.1Å; L379-L407 HydrophobicContact CG-CD1 4.08Å; L379-L407 WeakPolarHBondContact O-CA 3.44Å; L381-L407 HydrophobicContact CD1-CD1 4.35Å; L398-L407 HydrophobicContact CD1-CD2 3.9Å; L404-L407 HydrophobicContact CD2-CB 4.02Å; L404-L407 HydrophobicContact CD2-CD1 4.28Å; L404-L407 HydrophobicContact CD2-CD2 4.41Å; L404-L407 HydrophobicContact CD2-CG 4.47Å; L407-L409 HydrophobicContact CD1-CD1 4.41Å; L407-L409 HydrophobicContact CD1-CD2 4.47Å; L407-L409 HydrophobicContact CD1-CG 4.07Å; L407-L409 HydrophobicContact CD2-CD1 3.77Å; L407-L409 HydrophobicContact CD2-CG 4.29Å; L407-L409 HydrophobicContact CG-CD1 3.99Å; L407-L409 HydrophobicContact CG-CG 3.96Å; L407-F422 HydrophobicContact CD2-CE1 4.03Å; L407-F422 HydrophobicContact CD2-CZ 4.09Å; L407-L432 HydrophobicContact CB-CD1 3.99Å; L407-H434 PolarHBondContact N-O 3.49Å; L407-L435 HydrophobicContact CB-CD1 4.17Å; L407-L435 HydrophobicContact CD2-CD1 4.17Å; L407-L435 HydrophobicContact CG-CD1 4.17Å; L407-L435 WeakPolarHBondContact O-CA 3.4Å; L407-D436 PolarHBondContact O-N 3.42Å
408	N	98.7	Very high	97.5	Very high	32 Å²	32	43.5 Å²	43.5	17%	0.171	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	116.8	172.8	-167.7	-42.7	0	0	0	110.8	L379 N380 L381 A410 D436	L379-N408 PolarHBondContact O-N 2.86Å; N380-N408 HydrophobicContact CB-CB 4.33Å; L381-N408 WeakPolarHBondContact CA-O 3.46Å; L381-N408 PolarHBondContact N-O 3.47Å; N408-A410 VanDerWaalsContact OD1-CB 3.3Å; N408-A410 WeakPolarHBondContact OD1-CB 3.48Å; N408-A410 PolarHBondContact OD1-N 2.99Å; N408-D436 HydrophobicContact CB-CB 4.28Å; N408-D436 PolarHBondContact ND2-OD2 2.88Å; N408-D436 PolarHBondContact OD1-OD2 3.35Å
409	L	98.5	Very high	97.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.224	C	C	.	.			trans	-121.3	21	178.7	-74.9	172.3	0	0	0	112.1	L381 L386 L394 L407 N412 L414 F422 D436 L437 N440	L381-L409 HydrophobicContact CB-CD2 4.02Å; L381-L409 HydrophobicContact CD1-CD2 3.93Å; L386-L409 HydrophobicContact CD1-CD2 3.6Å; L394-L409 HydrophobicContact CD1-CD1 4.32Å; L394-L409 HydrophobicContact CD1-CD2 3.67Å; L407-L409 HydrophobicContact CD1-CD1 4.41Å; L407-L409 HydrophobicContact CD1-CD2 4.47Å; L407-L409 HydrophobicContact CD1-CG 4.07Å; L407-L409 HydrophobicContact CD2-CD1 3.77Å; L407-L409 HydrophobicContact CD2-CG 4.29Å; L407-L409 HydrophobicContact CG-CD1 3.99Å; L407-L409 HydrophobicContact CG-CG 3.96Å; L409-N412 VanDerWaalsContact C-ND2 3.3Å; L409-N412 WeakPolarHBondContact O-CB 3.44Å; L409-N412 PolarHBondContact O-ND2 3.5Å; L409-L414 HydrophobicContact CB-CD1 3.95Å; L409-L414 HydrophobicContact CD1-CD1 4.32Å; L409-F422 HydrophobicContact CD1-CE1 4.27Å; L409-F422 HydrophobicContact CD1-CE2 3.83Å; L409-F422 HydrophobicContact CD1-CZ 3.35Å; L409-D436 CarbonylContact C-O 3.53Å; L409-D436 WeakPolarHBondContact CA-O 3.25Å; L409-D436 PolarHBondContact N-O 3.04Å; L409-L437 HydrophobicContact CB-CD2 4Å; L409-L437 HydrophobicContact CD1-CD2 4.19Å; L409-N440 PolarHBondContact O-ND2 3.28Å
410	A	98.2	Very high	97.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.223	C	C	.	.			trans	-60.4	141.5	179.2	0	0	0	0	0	112	R382 M383 N408 N412 D436 S438	R382-A410 CarbonylContact C-O 3.48Å; R382-A410 VanDerWaalsContact CA-O 3.22Å; R382-A410 WeakPolarHBondContact CA-O 3.05Å; R382-A410 HydrophobicContact CG-CB 4.05Å; M383-A410 PolarHBondContact N-O 3Å; N408-A410 VanDerWaalsContact OD1-CB 3.3Å; N408-A410 WeakPolarHBondContact OD1-CB 3.48Å; N408-A410 PolarHBondContact OD1-N 2.99Å; A410-N412 PolarHBondContact O-ND2 2.95Å; A410-D436 PolarHBondContact N-O 2.99Å; A410-S438 CarbonylContact C-O 3.45Å; A410-S438 WeakPolarHBondContact CA-O 3.35Å; A410-S438 WeakPolarHBondContact CB-O 3.12Å; A410-S438 WeakPolarHBondContact CB-OG 3.49Å
411	V	97.8	Very high	97.7	Very high	54 Å²	54	40.6 Å²	40.6	33%	0.327	21%	0.21	S	C	.	.	S	Bend	trans	54.8	63.3	178.7	-165.4	0	0	0	0	111.3	M383 N384 S438 N439	M383-V411 CarbonylContact C-O 3.4Å; M383-V411 VanDerWaalsContact CA-O 3.26Å; M383-V411 WeakPolarHBondContact CA-O 3.48Å; M383-V411 HydrophobicContact CG-CB 4.07Å; M383-V411 HydrophobicContact CG-CG1 4.21Å; M383-V411 HydrophobicContact CG-CG2 4.28Å; M383-V411 PolarHBondContact N-O 3.06Å; N384-V411 PolarHBondContact N-O 3Å; N384-V411 VanDerWaalsContact N-O 3.14Å; V411-S438 PolarHBondContact N-O 2.83Å; V411-N439 WeakPolarHBondContact CA-O 3.39Å; V411-N439 HydrophobicContact CB-CB 4.46Å; V411-N439 HydrophobicContact CG2-CB 3.52Å
412	N	98.3	Very high	97.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-125.3	6.3	179.8	-92.1	-77.4	0	0	0	115	L381 N384 L386 Q387 L409 A410 L414 N440	L381-N412 PolarHBondContact O-ND2 3.3Å; N384-N412 VanDerWaalsContact CB-OD1 3.25Å; N384-N412 WeakPolarHBondContact CB-OD1 3.49Å; N384-N412 WeakPolarHBondContact O-CA 3.45Å; L386-N412 HydrophobicContact CB-CB 4.32Å; L386-N412 WeakPolarHBondContact CD1-OD1 3.34Å; L386-N412 WeakPolarHBondContact CG-OD1 3.36Å; L386-N412 PolarHBondContact N-O 2.9Å; L386-N412 PolarHBondContact N-OD1 2.9Å; Q387-N412 PolarHBondContact N-O 3.08Å; L409-N412 VanDerWaalsContact C-ND2 3.3Å; L409-N412 WeakPolarHBondContact O-CB 3.44Å; L409-N412 PolarHBondContact O-ND2 3.5Å; A410-N412 PolarHBondContact O-ND2 2.95Å; N412-L414 VanDerWaalsContact C-N 3.29Å; N412-L414 HydrophobicContact CB-CD1 4.11Å; N412-L414 HydrophobicContact CB-CD2 3.99Å; N412-L414 HydrophobicContact CB-CG 3.74Å; N412-N440 WeakPolarHBondContact CA-OD1 3.2Å; N412-N440 PolarHBondContact N-OD1 3.47Å
413	D	97.2	Very high	97.9	Very high	61 Å²	61	36 Å²	36	33%	0.326	18%	0.18	S	C	.	.			trans	61.9	37.5	-176.1	-156.6	32	0	0	0	111.8	Q387 H415 N440	Q387-D413 WeakPolarHBondContact CA-O 3.41Å; Q387-D413 HydrophobicContact CG-CB 4.18Å; D413-H415 IonicContact OD1-CE1 3.88Å; D413-H415 IonicContact OD1-NE2 3.77Å; D413-N440 PolarHBondContact N-OD1 3.13Å; D413-N440 VanDerWaalsContact N-OD1 3.1Å
414	L	98.1	Very high	98	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.193	C	C	.	.			trans	-84.2	139.7	179.1	-52	178.4	0	0	0	110.4	L386 Q387 L409 N412 T418 L437 N440 Q441 I442	L386-L414 HydrophobicContact CB-CD2 4.48Å; Q387-L414 WeakPolarHBondContact O-CD2 3.18Å; L409-L414 HydrophobicContact CB-CD1 3.95Å; L409-L414 HydrophobicContact CD1-CD1 4.32Å; N412-L414 VanDerWaalsContact C-N 3.29Å; N412-L414 HydrophobicContact CB-CD1 4.11Å; N412-L414 HydrophobicContact CB-CD2 3.99Å; N412-L414 HydrophobicContact CB-CG 3.74Å; L414-T418 HydrophobicContact CB-CG2 4.1Å; L414-T418 HydrophobicContact CD1-CG2 4Å; L414-T418 HydrophobicContact CD2-CG2 4.16Å; L414-T418 HydrophobicContact CG-CG2 4.3Å; L414-L437 HydrophobicContact CD1-CD2 3.89Å; L414-N440 HydrophobicContact CB-CB 3.97Å; L414-N440 PolarHBondContact N-OD1 3.33Å; L414-N440 WeakPolarHBondContact O-CB 3.43Å; L414-Q441 CarbonylContact O-C 3.58Å; L414-Q441 WeakPolarHBondContact O-CA 3.28Å; L414-Q441 PolarHBondContact O-N 2.85Å; L414-I442 HydrophobicContact CB-CD1 4.1Å
415	H	97.8	Very high	97.9	Very high	61 Å²	61	39.4 Å²	39.4	28%	0.282	19%	0.193	S	C	.	.	B	Isolated β-bridge	trans	-118	-169.8	179.9	-54.2	-64.2	0	0	0	112.8	D388 D413 N417 T418 A419 Q441	D388-H415 WeakPolarHBondContact OD1-CA 3.47Å; D388-H415 PolarHBondContact OD1-N 3.35Å; D388-H415 IonicContact OD2-CD2 3.65Å; D413-H415 IonicContact OD1-CE1 3.88Å; D413-H415 IonicContact OD1-NE2 3.77Å; H415-N417 PolarHBondContact O-N 3.5Å; H415-T418 WeakPolarHBondContact O-CB 3.41Å; H415-T418 PolarHBondContact O-N 3.15Å; H415-T418 VanDerWaalsContact O-N 3.16Å; H415-A419 PolarHBondContact O-N 2.93Å; H415-Q441 VanDerWaalsContact CA-O 3.31Å; H415-Q441 WeakPolarHBondContact CA-O 3.33Å; H415-Q441 PolarHBondContact CE1-OE1 3.38Å; H415-Q441 VanDerWaalsContact CE1-OE1 3.28Å; H415-Q441 VanDerWaalsContact ND1-CB 3.33Å; H415-Q441 WeakPolarHBondContact ND1-CB 3.43Å
416	E	97.1	Very high	97.9	Very high	93 Å²	93	34.6 Å²	34.6	44%	0.435	17%	0.172	S	C	.	.	H	α-helix	trans	-51.1	-38.7	-179.6	-179.6	-179.6	159.7	0	0	113.5	T418 A419 T420 I442 A445	E416-T418 PolarHBondContact O-N 3.26Å; E416-A419 WeakPolarHBondContact O-CB 3.4Å; E416-A419 PolarHBondContact O-N 3.19Å; E416-T420 PolarHBondContact O-N 3.3Å; E416-T420 PolarHBondContact O-OG1 2.96Å; E416-T420 VanDerWaalsContact O-OG1 3.05Å; E416-I442 WeakPolarHBondContact CA-O 3.37Å; E416-A445 VanDerWaalsContact CD-CB 3.48Å; E416-A445 HydrophobicContact CG-CB 4.21Å; E416-A445 WeakPolarHBondContact OE1-CB 3.42Å
417	N	96.5	Very high	97.8	Very high	92 Å²	92	32.6 Å²	32.6	49%	0.492	17%	0.165	S	C	.	.	H	α-helix	trans	-62.3	-47.3	-179.1	-62.3	-50.2	0	0	0	110.7	D388 I392 H415 A419 T420 Y421	D388-N417 WeakPolarHBondContact OD2-CB 3.09Å; D388-N417 PolarHBondContact OD2-ND2 3.42Å; I392-N417 HydrophobicContact CD1-CB 4.05Å; H415-N417 PolarHBondContact O-N 3.5Å; N417-A419 VanDerWaalsContact C-N 3.29Å; N417-A419 PolarHBondContact O-N 3.45Å; N417-T420 WeakPolarHBondContact O-CB 3.39Å; N417-T420 PolarHBondContact O-N 3.37Å; N417-T420 VanDerWaalsContact O-N 3.15Å; N417-Y421 WeakPolarHBondContact O-CD2 3.48Å; N417-Y421 PolarHBondContact O-N 3.23Å
418	T	97.8	Very high	97.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-56.1	-46.3	176.4	-65	0	0	0	0	111.1	D388 L414 H415 E416 T420 Y421 F422	D388-T418 VanDerWaalsContact CA-OG1 3.31Å; D388-T418 WeakPolarHBondContact CA-OG1 3.39Å; D388-T418 WeakPolarHBondContact OD1-CB 3.07Å; D388-T418 PolarHBondContact OD1-N 3.21Å; D388-T418 PolarHBondContact OD1-OG1 2.88Å; L414-T418 HydrophobicContact CB-CG2 4.1Å; L414-T418 HydrophobicContact CD1-CG2 4Å; L414-T418 HydrophobicContact CD2-CG2 4.16Å; L414-T418 HydrophobicContact CG-CG2 4.3Å; H415-T418 WeakPolarHBondContact O-CB 3.41Å; H415-T418 PolarHBondContact O-N 3.15Å; H415-T418 VanDerWaalsContact O-N 3.16Å; E416-T418 PolarHBondContact O-N 3.26Å; T418-T420 VanDerWaalsContact C-N 3.3Å; T418-T420 PolarHBondContact O-N 3.35Å; T418-Y421 PolarHBondContact O-N 3.1Å; T418-Y421 VanDerWaalsContact O-N 3.16Å; T418-F422 HydrophobicContact CG2-CD2 3.53Å; T418-F422 HydrophobicContact CG2-CE2 3.6Å; T418-F422 WeakPolarHBondContact O-CD2 3.43Å; T418-F422 PolarHBondContact O-N 3.38Å
419	A	97.4	Very high	97.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.8	-38	178.6	0	0	0	0	0	113.2	H415 E416 N417 Y421 F422 G423 I442 L450	H415-A419 PolarHBondContact O-N 2.93Å; E416-A419 WeakPolarHBondContact O-CB 3.4Å; E416-A419 PolarHBondContact O-N 3.19Å; N417-A419 VanDerWaalsContact C-N 3.29Å; N417-A419 PolarHBondContact O-N 3.45Å; A419-Y421 VanDerWaalsContact C-N 3.34Å; A419-Y421 PolarHBondContact O-N 3.13Å; A419-F422 PolarHBondContact O-N 2.85Å; A419-G423 PolarHBondContact O-N 3.42Å; A419-I442 HydrophobicContact CB-CB 4.46Å; A419-I442 HydrophobicContact CB-CD1 4.14Å; A419-I442 HydrophobicContact CB-CG2 3.36Å; A419-L450 HydrophobicContact CB-CD1 4.14Å; A419-L450 HydrophobicContact CB-CG 4.08Å
420	T	97.7	Very high	97.5	Very high	52 Å²	52	41 Å²	41	32%	0.319	21%	0.206	S	C	.	.	H	α-helix	trans	-60.3	-44.5	175.5	-59.5	0	0	0	0	111.5	E416 N417 T418 G423 H424 K449	E416-T420 PolarHBondContact O-N 3.3Å; E416-T420 PolarHBondContact O-OG1 2.96Å; E416-T420 VanDerWaalsContact O-OG1 3.05Å; N417-T420 WeakPolarHBondContact O-CB 3.39Å; N417-T420 PolarHBondContact O-N 3.37Å; N417-T420 VanDerWaalsContact O-N 3.15Å; T418-T420 VanDerWaalsContact C-N 3.3Å; T418-T420 PolarHBondContact O-N 3.35Å; T420-G423 PolarHBondContact O-N 3.37Å; T420-H424 PolarHBondContact O-N 2.66Å; T420-H424 VanDerWaalsContact O-N 3.09Å; T420-K449 HydrophobicContact CG2-CG 4.4Å
421	Y	98.4	Very high	97.5	Very high	96 Å²	96	42.7 Å²	42.7	38%	0.376	22%	0.217	S	C	.	.	H	α-helix	trans	-71.4	-36.1	177.5	-80.5	-88.8	0	0	0	112.8	I392 K396 N417 T418 A419 H424 A425	I392-Y421 HydrophobicContact CB-CD2 4.32Å; I392-Y421 HydrophobicContact CB-CG 4.45Å; I392-Y421 HydrophobicContact CD1-CD2 4.03Å; I392-Y421 HydrophobicContact CD1-CE2 4.05Å; I392-Y421 HydrophobicContact CG1-CD2 3.67Å; I392-Y421 HydrophobicContact CG1-CE2 4.15Å; I392-Y421 HydrophobicContact CG1-CG 4.19Å; I392-Y421 HydrophobicContact CG2-CD1 3.97Å; I392-Y421 HydrophobicContact CG2-CD2 3.82Å; I392-Y421 HydrophobicContact CG2-CE1 4.08Å; I392-Y421 HydrophobicContact CG2-CE2 3.93Å; I392-Y421 HydrophobicContact CG2-CG 3.83Å; K396-Y421 HydrophobicContact CG-CD1 4.28Å; N417-Y421 WeakPolarHBondContact O-CD2 3.48Å; N417-Y421 PolarHBondContact O-N 3.23Å; T418-Y421 PolarHBondContact O-N 3.1Å; T418-Y421 VanDerWaalsContact O-N 3.16Å; A419-Y421 VanDerWaalsContact C-N 3.34Å; A419-Y421 PolarHBondContact O-N 3.13Å; Y421-H424 PolarHBondContact O-N 2.97Å; Y421-A425 WeakPolarHBondContact O-CB 3.38Å; Y421-A425 PolarHBondContact O-N 3.34Å
422	F	98.3	Very high	97.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.4	-41.5	171.7	-91.3	-80.8	0	0	0	111.8	A395 L398 L407 L409 T418 A419 H424 A425 L426 L435 L437 L450	A395-F422 HydrophobicContact CB-CD1 4.38Å; A395-F422 HydrophobicContact CB-CD2 3.81Å; A395-F422 HydrophobicContact CB-CE1 4.45Å; A395-F422 HydrophobicContact CB-CE2 3.88Å; A395-F422 HydrophobicContact CB-CG 4.05Å; A395-F422 HydrophobicContact CB-CZ 4.19Å; L398-F422 HydrophobicContact CD1-CD1 4.15Å; L398-F422 HydrophobicContact CD1-CE1 3.46Å; L398-F422 VanDerWaalsContact CD1-CE1 3.46Å; L398-F422 HydrophobicContact CD1-CZ 4.25Å; L407-F422 HydrophobicContact CD2-CE1 4.03Å; L407-F422 HydrophobicContact CD2-CZ 4.09Å; L409-F422 HydrophobicContact CD1-CE1 4.27Å; L409-F422 HydrophobicContact CD1-CE2 3.83Å; L409-F422 HydrophobicContact CD1-CZ 3.35Å; T418-F422 HydrophobicContact CG2-CD2 3.53Å; T418-F422 HydrophobicContact CG2-CE2 3.6Å; T418-F422 WeakPolarHBondContact O-CD2 3.43Å; T418-F422 PolarHBondContact O-N 3.38Å; A419-F422 PolarHBondContact O-N 2.85Å; F422-H424 VanDerWaalsContact C-N 3.3Å; F422-H424 PolarHBondContact O-N 3.03Å; F422-A425 PolarHBondContact O-N 2.97Å; F422-A425 VanDerWaalsContact O-N 3.15Å; F422-L426 WeakPolarHBondContact O-CB 3.41Å; F422-L426 VanDerWaalsContact O-CG 3.23Å; F422-L426 WeakPolarHBondContact O-CG 3.38Å; F422-L426 PolarHBondContact O-N 3.29Å; F422-L435 HydrophobicContact CD1-CD1 4.4Å; F422-L435 HydrophobicContact CD1-CD2 3.76Å; F422-L435 HydrophobicContact CE1-CD1 3.96Å; F422-L435 HydrophobicContact CE1-CD2 4.14Å; F422-L437 HydrophobicContact CE2-CD2 4.49Å; F422-L450 HydrophobicContact CB-CD2 3.65Å
423	G	97.6	Very high	97.5	Very high	3 Å²	3	41.7 Å²	41.7	3%	0.031	21%	0.211	C	C	.	.	H	α-helix	trans	-55.8	-47.4	173.9	0	0	0	0	0	111.1	A419 T420 L426 T427 K449 G453	A419-G423 PolarHBondContact O-N 3.42Å; T420-G423 PolarHBondContact O-N 3.37Å; G423-L426 PolarHBondContact O-N 2.98Å; G423-T427 PolarHBondContact O-N 2.99Å; G423-K449 WeakPolarHBondContact CA-O 3.18Å; G423-G453 VanDerWaalsContact O-CA 3.23Å; G423-G453 WeakPolarHBondContact O-CA 3.41Å
424	H	97.6	Very high	97.6	Very high	104 Å²	104	41.8 Å²	41.8	48%	0.481	21%	0.209	S	C	.	.	H	α-helix	trans	-63.6	-44.9	173.9	-175.2	55	0	0	0	112.9	T420 Y421 F422 L426 T427	T420-H424 PolarHBondContact O-N 2.66Å; T420-H424 VanDerWaalsContact O-N 3.09Å; Y421-H424 PolarHBondContact O-N 2.97Å; F422-H424 VanDerWaalsContact C-N 3.3Å; F422-H424 PolarHBondContact O-N 3.03Å; H424-L426 VanDerWaalsContact C-N 3.28Å; H424-L426 PolarHBondContact O-N 3.13Å; H424-T427 PolarHBondContact O-N 3.38Å; H424-T427 VanDerWaalsContact O-N 3.08Å; H424-T427 PolarHBondContact O-OG1 3.37Å
425	A	97.8	Very high	97.6	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-60.1	-38.4	179.8	0	0	0	0	0	112.2	A395 L398 I399 Y421 F422 T427 Q428 N429	A395-A425 HydrophobicContact CB-CB 4.43Å; A395-A425 VanDerWaalsContact O-CB 3.27Å; A395-A425 WeakPolarHBondContact O-CB 3.48Å; L398-A425 HydrophobicContact CB-CB 4.49Å; I399-A425 HydrophobicContact CG1-CB 4Å; Y421-A425 WeakPolarHBondContact O-CB 3.38Å; Y421-A425 PolarHBondContact O-N 3.34Å; F422-A425 PolarHBondContact O-N 2.97Å; F422-A425 VanDerWaalsContact O-N 3.15Å; A425-T427 VanDerWaalsContact C-N 3.28Å; A425-T427 PolarHBondContact O-N 2.92Å; A425-Q428 PolarHBondContact O-N 2.88Å; A425-Q428 VanDerWaalsContact O-N 3.08Å; A425-N429 WeakPolarHBondContact O-CB 3.12Å; A425-N429 PolarHBondContact O-N 2.94Å
426	L	98	Very high	97.6	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-65.8	-27.1	176.9	-69.8	169.4	0	0	0	112.8	F422 G423 H424 Q428 L432 L435 L450 I454 N457 L460	F422-L426 WeakPolarHBondContact O-CB 3.41Å; F422-L426 VanDerWaalsContact O-CG 3.23Å; F422-L426 WeakPolarHBondContact O-CG 3.38Å; F422-L426 PolarHBondContact O-N 3.29Å; G423-L426 PolarHBondContact O-N 2.98Å; H424-L426 VanDerWaalsContact C-N 3.28Å; H424-L426 PolarHBondContact O-N 3.13Å; L426-Q428 PolarHBondContact O-N 3.25Å; L426-L432 HydrophobicContact CD2-CD2 4.33Å; L426-L435 HydrophobicContact CD1-CD2 4.44Å; L426-L450 HydrophobicContact CD1-CD2 4.33Å; L426-I454 HydrophobicContact CD1-CD1 4.1Å; L426-I454 HydrophobicContact CD1-CG1 3.66Å; L426-N457 WeakPolarHBondContact O-CB 3.44Å; L426-N457 PolarHBondContact O-ND2 3.25Å; L426-L460 HydrophobicContact CD1-CD2 4.31Å; L426-L460 HydrophobicContact CD2-CD1 4.32Å; L426-L460 HydrophobicContact CD2-CD2 4.05Å
427	T	97.2	Very high	97.7	Very high	29 Å²	29	35.7 Å²	35.7	18%	0.178	18%	0.181	C	C	.	.	H	α-helix	trans	-68.6	-20.5	172.7	68.7	0	0	0	0	113.4	G423 H424 A425 Q456	G423-T427 PolarHBondContact O-N 2.99Å; H424-T427 PolarHBondContact O-N 3.38Å; H424-T427 VanDerWaalsContact O-N 3.08Å; H424-T427 PolarHBondContact O-OG1 3.37Å; A425-T427 VanDerWaalsContact C-N 3.28Å; A425-T427 PolarHBondContact O-N 2.92Å; T427-Q456 HydrophobicContact CG2-CB 4.32Å
428	Q	96.6	Very high	97.7	Very high	107 Å²	107	31.5 Å²	31.5	50%	0.5	16%	0.16	S	C	.	.	H	α-helix	trans	-110.4	-36.2	-174.4	-59.7	-59.5	-50.7	0	0	112.5	I399 A425 L426	I399-Q428 HydrophobicContact CG2-CB 4.09Å; I399-Q428 HydrophobicContact CG2-CG 4.45Å; A425-Q428 PolarHBondContact O-N 2.88Å; A425-Q428 VanDerWaalsContact O-N 3.08Å; L426-Q428 PolarHBondContact O-N 3.25Å
429	N	97	Very high	97.7	Very high	6 Å²	6	35 Å²	35	3%	0.032	18%	0.178	C	C	.	.			trans	-84.3	118.4	-178.3	-175.6	-69.4	0	0	0	110.5	L398 N401 A425 T431 L432 N457	L398-N429 PolarHBondContact O-ND2 3.46Å; N401-N429 PolarHBondContact O-ND2 3.28Å; A425-N429 WeakPolarHBondContact O-CB 3.12Å; A425-N429 PolarHBondContact O-N 2.94Å; N429-T431 PolarHBondContact OD1-N 2.95Å; N429-L432 WeakPolarHBondContact OD1-CB 3.33Å; N429-L432 PolarHBondContact OD1-N 3.09Å; N429-N457 PolarHBondContact O-ND2 2.68Å
430	N	95.7	Very high	97.8	Very high	100 Å²	100	35.3 Å²	35.3	54%	0.535	18%	0.18	S	C	.	.	S	Bend	trans	-109.4	21.4	177.1	-64.1	-56.9	0	0	0	112.6	S459	N430-S459 VanDerWaalsContact C-CB 3.41Å; N430-S459 WeakPolarHBondContact CA-OG 3.28Å; N430-S459 VanDerWaalsContact O-CB 3.25Å; N430-S459 WeakPolarHBondContact O-CB 3.49Å
431	T	97	Very high	97.7	Very high	35 Å²	35	38.9 Å²	38.9	22%	0.215	19%	0.193	C	C	.	.	S	Bend	trans	-110.7	-39.1	-177.3	-55.5	0	0	0	0	112	S402 K405 N429 T433	S402-T431 VanDerWaalsContact C-CG2 3.44Å; S402-T431 WeakPolarHBondContact CA-OG1 3.21Å; S402-T431 WeakPolarHBondContact O-CG2 3.4Å; S402-T431 PolarHBondContact O-OG1 2.94Å; K405-T431 HydrophobicContact CG-CG2 4.4Å; N429-T431 PolarHBondContact OD1-N 2.95Å; T431-T433 WeakPolarHBondContact O-CG2 3.17Å; T431-T433 PolarHBondContact O-N 2.96Å
432	L	98.2	Very high	97.6	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.175	C	C	.	.			trans	-65.3	126.6	-177.2	-164.1	74.2	0	0	0	109.5	L398 L404 K405 L407 L426 N429 L435 S459 L460	L398-L432 HydrophobicContact CD1-CD2 4.23Å; L398-L432 HydrophobicContact CD2-CD1 4.5Å; L404-L432 HydrophobicContact CD2-CD1 4.49Å; L404-L432 HydrophobicContact CG-CD1 4.5Å; K405-L432 WeakPolarHBondContact O-CD1 3.39Å; L407-L432 HydrophobicContact CB-CD1 3.99Å; L426-L432 HydrophobicContact CD2-CD2 4.33Å; N429-L432 WeakPolarHBondContact OD1-CB 3.33Å; N429-L432 PolarHBondContact OD1-N 3.09Å; L432-L435 HydrophobicContact CD2-CB 3.99Å; L432-L435 HydrophobicContact CD2-CD1 4.37Å; L432-L435 HydrophobicContact CD2-CD2 4.28Å; L432-L435 HydrophobicContact CD2-CG 4.44Å; L432-S459 CarbonylContact O-C 3.49Å; L432-S459 PolarHBondContact O-OG 3.27Å; L432-L460 HydrophobicContact CB-CD1 4.48Å; L432-L460 HydrophobicContact CD2-CD1 4.19Å; L432-L460 HydrophobicContact CG-CD1 4.15Å; L432-L460 PolarHBondContact O-N 3.45Å
433	T	98.1	Very high	97.5	Very high	32 Å²	32	35.4 Å²	35.4	20%	0.196	19%	0.187	C	C	.	.			trans	-111.5	-32.3	-178.4	60	0	0	0	0	112	K405 T431 I461 H462	K405-T433 PolarHBondContact O-N 3.37Å; K405-T433 PolarHBondContact O-OG1 2.82Å; K405-T433 VanDerWaalsContact O-OG1 3.09Å; T431-T433 WeakPolarHBondContact O-CG2 3.17Å; T431-T433 PolarHBondContact O-N 2.96Å; T433-I461 VanDerWaalsContact O-CG1 3.3Å; T433-I461 WeakPolarHBondContact O-CG1 3.44Å; T433-I461 PolarHBondContact O-N 3.43Å; T433-H462 PolarHBondContact O-N 2.85Å
434	H	98.7	Very high	97.4	Very high	64 Å²	64	39.4 Å²	39.4	30%	0.296	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	127.6	178.5	-56.3	68.3	0	0	0	111	K405 E406 L407 H462	K405-H434 PolarHBondContact O-N 2.88Å; E406-H434 WeakPolarHBondContact CA-O 3.23Å; E406-H434 HydrophobicContact CB-CB 4.2Å; E406-H434 HydrophobicContact CG-CB 3.95Å; L407-H434 PolarHBondContact N-O 3.49Å; H434-H462 WeakPolarHBondContact CA-O 3.47Å; H434-H462 HydrophobicContact CB-CB 4.21Å; H434-H462 WeakPolarHBondContact CD2-CB 3.27Å; H434-H462 AromaticContact CD2-CG 3.89Å
435	L	98.6	Very high	97.3	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	124.8	174.6	178.3	58.2	0	0	0	109.2	L407 F422 L426 L432 L437 L460 H462 L463 D464	L407-L435 HydrophobicContact CB-CD1 4.17Å; L407-L435 HydrophobicContact CD2-CD1 4.17Å; L407-L435 HydrophobicContact CG-CD1 4.17Å; L407-L435 WeakPolarHBondContact O-CA 3.4Å; F422-L435 HydrophobicContact CD1-CD1 4.4Å; F422-L435 HydrophobicContact CD1-CD2 3.76Å; F422-L435 HydrophobicContact CE1-CD1 3.96Å; F422-L435 HydrophobicContact CE1-CD2 4.14Å; L426-L435 HydrophobicContact CD1-CD2 4.44Å; L432-L435 HydrophobicContact CD2-CB 3.99Å; L432-L435 HydrophobicContact CD2-CD1 4.37Å; L432-L435 HydrophobicContact CD2-CD2 4.28Å; L432-L435 HydrophobicContact CD2-CG 4.44Å; L435-L437 HydrophobicContact CD1-CD2 4.33Å; L435-L437 HydrophobicContact CD1-CG 4.19Å; L435-L437 HydrophobicContact CD2-CD1 4.02Å; L435-L437 HydrophobicContact CD2-CG 4.29Å; L435-L437 HydrophobicContact CG-CD1 4.29Å; L435-L437 HydrophobicContact CG-CG 4.03Å; L435-L460 HydrophobicContact CB-CD1 4.03Å; L435-H462 PolarHBondContact N-O 3.38Å; L435-L463 HydrophobicContact CB-CD1 3.97Å; L435-L463 HydrophobicContact CD2-CD1 4.02Å; L435-L463 HydrophobicContact CG-CD1 3.85Å; L435-L463 VanDerWaalsContact O-CA 3.25Å; L435-L463 WeakPolarHBondContact O-CA 3.34Å; L435-L463 WeakPolarHBondContact O-CD1 3.25Å; L435-D464 PolarHBondContact O-N 3.03Å
436	D	98.6	Very high	97.2	Very high	24 Å²	24	36.5 Å²	36.5	13%	0.128	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	113.5	173.6	-179.5	-2.4	0	0	0	109	L407 N408 L409 A410 S438 D464	L407-D436 PolarHBondContact O-N 3.42Å; N408-D436 HydrophobicContact CB-CB 4.28Å; N408-D436 PolarHBondContact ND2-OD2 2.88Å; N408-D436 PolarHBondContact OD1-OD2 3.35Å; L409-D436 CarbonylContact C-O 3.53Å; L409-D436 WeakPolarHBondContact CA-O 3.25Å; L409-D436 PolarHBondContact N-O 3.04Å; A410-D436 PolarHBondContact N-O 2.99Å; D436-S438 WeakPolarHBondContact OD1-CB 3.35Å; D436-S438 PolarHBondContact OD1-N 2.71Å; D436-S438 PolarHBondContact OD1-OG 2.91Å; D436-D464 HydrophobicContact CB-CB 4.3Å
437	L	98.3	Very high	97.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.203	C	C	.	.			trans	-112.7	12.2	175.8	-69.7	173.2	0	0	0	111.5	L409 L414 F422 L435 N440 L450 L463 D464 L465 T468	L409-L437 HydrophobicContact CB-CD2 4Å; L409-L437 HydrophobicContact CD1-CD2 4.19Å; L414-L437 HydrophobicContact CD1-CD2 3.89Å; F422-L437 HydrophobicContact CE2-CD2 4.49Å; L435-L437 HydrophobicContact CD1-CD2 4.33Å; L435-L437 HydrophobicContact CD1-CG 4.19Å; L435-L437 HydrophobicContact CD2-CD1 4.02Å; L435-L437 HydrophobicContact CD2-CG 4.29Å; L435-L437 HydrophobicContact CG-CD1 4.29Å; L435-L437 HydrophobicContact CG-CG 4.03Å; L437-N440 WeakPolarHBondContact O-CB 3.47Å; L437-N440 PolarHBondContact O-ND2 3.42Å; L437-L450 HydrophobicContact CD1-CD1 3.88Å; L437-L450 HydrophobicContact CD1-CD2 4.2Å; L437-L463 HydrophobicContact CD1-CD1 4.33Å; L437-D464 CarbonylContact C-O 3.51Å; L437-D464 PolarHBondContact N-O 3.19Å; L437-L465 HydrophobicContact CB-CD2 4.02Å; L437-L465 HydrophobicContact CD1-CD2 4.28Å; L437-T468 WeakPolarHBondContact O-CG2 3.23Å
438	S	97.7	Very high	97.1	Very high	5 Å²	5	39.2 Å²	39.2	4%	0.035	21%	0.213	C	C	.	.			trans	-59.4	155.3	-173.9	67	0	0	0	0	113.3	A410 V411 D436 N440 D464 R466	A410-S438 CarbonylContact C-O 3.45Å; A410-S438 WeakPolarHBondContact CA-O 3.35Å; A410-S438 WeakPolarHBondContact CB-O 3.12Å; A410-S438 WeakPolarHBondContact CB-OG 3.49Å; V411-S438 PolarHBondContact N-O 2.83Å; D436-S438 WeakPolarHBondContact OD1-CB 3.35Å; D436-S438 PolarHBondContact OD1-N 2.71Å; D436-S438 PolarHBondContact OD1-OG 2.91Å; S438-N440 VanDerWaalsContact C-N 3.26Å; S438-N440 PolarHBondContact O-N 2.8Å; S438-N440 PolarHBondContact O-ND2 2.98Å; S438-D464 PolarHBondContact N-O 2.89Å; S438-R466 CarbonylContact C-O 3.24Å; S438-R466 WeakPolarHBondContact CA-O 3.45Å; S438-R466 VanDerWaalsContact CB-O 3.28Å; S438-R466 WeakPolarHBondContact CB-O 3.3Å
439	N	97.6	Very high	97.1	Very high	73 Å²	73	38.7 Å²	38.7	39%	0.39	21%	0.209	S	C	.	.	S	Bend	trans	54.4	40.2	-179.7	-63.2	-92.6	0	0	0	113.7	V411 R466 F467	V411-N439 WeakPolarHBondContact CA-O 3.39Å; V411-N439 HydrophobicContact CB-CB 4.46Å; V411-N439 HydrophobicContact CG2-CB 3.52Å; N439-R466 PolarHBondContact N-O 2.79Å; N439-F467 WeakPolarHBondContact CA-O 3.39Å
440	N	98.1	Very high	97.2	Very high	7 Å²	7	38.4 Å²	38.4	4%	0.037	21%	0.208	C	C	.	.	S	Bend	trans	-114.7	-177.7	168.2	-75.3	-62.2	0	0	0	109.4	L409 N412 D413 L414 L437 S438 I442 T468	L409-N440 PolarHBondContact O-ND2 3.28Å; N412-N440 WeakPolarHBondContact CA-OD1 3.2Å; N412-N440 PolarHBondContact N-OD1 3.47Å; D413-N440 PolarHBondContact N-OD1 3.13Å; D413-N440 VanDerWaalsContact N-OD1 3.1Å; L414-N440 HydrophobicContact CB-CB 3.97Å; L414-N440 PolarHBondContact N-OD1 3.33Å; L414-N440 WeakPolarHBondContact O-CB 3.43Å; L437-N440 WeakPolarHBondContact O-CB 3.47Å; L437-N440 PolarHBondContact O-ND2 3.42Å; S438-N440 VanDerWaalsContact C-N 3.26Å; S438-N440 PolarHBondContact O-N 2.8Å; S438-N440 PolarHBondContact O-ND2 2.98Å; N440-I442 HydrophobicContact CB-CD1 4.07Å; N440-I442 HydrophobicContact CB-CG1 4.09Å; N440-T468 VanDerWaalsContact O-CA 3.27Å; N440-T468 WeakPolarHBondContact O-CA 3.25Å
441	Q	96.5	Very high	97.2	Very high	126 Å²	126	35 Å²	35	59%	0.589	19%	0.189	S	C	*	.	B	Isolated β-bridge	trans	-115.4	53.1	-179	-70.8	174.8	30.9	0	0	110.4	L414 H415	L414-Q441 CarbonylContact O-C 3.58Å; L414-Q441 WeakPolarHBondContact O-CA 3.28Å; L414-Q441 PolarHBondContact O-N 2.85Å; H415-Q441 VanDerWaalsContact CA-O 3.31Å; H415-Q441 WeakPolarHBondContact CA-O 3.33Å; H415-Q441 PolarHBondContact CE1-OE1 3.38Å; H415-Q441 VanDerWaalsContact CE1-OE1 3.28Å; H415-Q441 VanDerWaalsContact ND1-CB 3.33Å; H415-Q441 WeakPolarHBondContact ND1-CB 3.43Å
442	I	96.5	Very high	97.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.194	C	C	.	.			trans	-65.3	-40.1	-175.2	-57.5	-57.3	0	0	0	112	L414 E416 A419 N440 L450 T468	L414-I442 HydrophobicContact CB-CD1 4.1Å; E416-I442 WeakPolarHBondContact CA-O 3.37Å; A419-I442 HydrophobicContact CB-CB 4.46Å; A419-I442 HydrophobicContact CB-CD1 4.14Å; A419-I442 HydrophobicContact CB-CG2 3.36Å; N440-I442 HydrophobicContact CB-CD1 4.07Å; N440-I442 HydrophobicContact CB-CG1 4.09Å; I442-L450 HydrophobicContact CG2-CD1 4.21Å; I442-T468 HydrophobicContact CG1-CG2 4.02Å; I442-T468 PolarHBondContact N-O 3.37Å
443	G	95.8	Very high	97.1	Very high	24 Å²	24	36.2 Å²	36.2	25%	0.247	19%	0.194	C	C	.	.	H	α-helix	trans	71.9	172.8	-179.5	0	0	0	0	0	114.4	A445 G446 S447 T468 G469	G443-A445 PolarHBondContact O-N 3.22Å; G443-G446 PolarHBondContact O-N 2.8Å; G443-S447 PolarHBondContact O-N 3.28Å; G443-S447 PolarHBondContact O-OG 3.33Å; G443-T468 PolarHBondContact N-O 2.87Å; G443-G469 CarbonylContact C-O 3.45Å; G443-G469 VanDerWaalsContact C-O 3.24Å; G443-G469 WeakPolarHBondContact CA-O 3.23Å
444	V	96.4	Very high	97	Very high	87 Å²	87	34.7 Å²	34.7	53%	0.527	19%	0.185	S	C	.	.	H	α-helix	trans	-61.8	-42.8	-176.8	173.2	0	0	0	0	112.3	S447 K448 G469	V444-S447 WeakPolarHBondContact CA-OG 3.16Å; V444-S447 PolarHBondContact O-N 2.94Å; V444-S447 PolarHBondContact O-OG 3.01Å; V444-K448 PolarHBondContact O-N 2.83Å; V444-G469 PolarHBondContact N-O 2.95Å; V444-G469 VanDerWaalsContact N-O 3.14Å
445	A	95.4	Very high	96.8	Very high	43 Å²	43	34.5 Å²	34.5	36%	0.355	19%	0.186	S	C	.	.	H	α-helix	trans	-65.1	-42.8	178.5	0	0	0	0	0	111.4	E416 G443 K448 K449	E416-A445 VanDerWaalsContact CD-CB 3.48Å; E416-A445 HydrophobicContact CG-CB 4.21Å; E416-A445 WeakPolarHBondContact OE1-CB 3.42Å; G443-A445 PolarHBondContact O-N 3.22Å; A445-K448 WeakPolarHBondContact O-CB 3.5Å; A445-K448 PolarHBondContact O-N 2.92Å; A445-K449 WeakPolarHBondContact O-CG 3.26Å; A445-K449 PolarHBondContact O-N 2.91Å; A445-K449 VanDerWaalsContact O-N 3.13Å
446	G	95.3	Very high	96.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.2	-42.3	175.9	0	0	0	0	0	112.6	G443 K448 K449 L450	G443-G446 PolarHBondContact O-N 2.8Å; G446-K448 VanDerWaalsContact C-N 3.27Å; G446-K448 PolarHBondContact O-N 3.4Å; G446-K449 PolarHBondContact O-N 2.85Å; G446-K449 VanDerWaalsContact O-N 3.16Å; G446-L450 PolarHBondContact O-N 2.84Å
447	S	96.7	Very high	96.5	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.9	-34.2	175.7	62.2	0	0	0	0	112.3	G443 V444 L450 Q451 S471	G443-S447 PolarHBondContact O-N 3.28Å; G443-S447 PolarHBondContact O-OG 3.33Å; V444-S447 WeakPolarHBondContact CA-OG 3.16Å; V444-S447 PolarHBondContact O-N 2.94Å; V444-S447 PolarHBondContact O-OG 3.01Å; S447-L450 PolarHBondContact O-N 2.98Å; S447-Q451 WeakPolarHBondContact O-CB 3.38Å; S447-Q451 PolarHBondContact O-N 3.05Å; S447-S471 PolarHBondContact OG-N 3.44Å
448	K	96.7	Very high	96.3	Very high	89 Å²	89	43.4 Å²	43.4	39%	0.387	24%	0.235	S	C	.	.	H	α-helix	trans	-65.1	-39.2	174.6	-175.8	54.8	-179.6	140	0	111.9	V444 A445 G446 Q451 D452	V444-K448 PolarHBondContact O-N 2.83Å; A445-K448 WeakPolarHBondContact O-CB 3.5Å; A445-K448 PolarHBondContact O-N 2.92Å; G446-K448 VanDerWaalsContact C-N 3.27Å; G446-K448 PolarHBondContact O-N 3.4Å; K448-Q451 VanDerWaalsContact CD-OE1 3.24Å; K448-Q451 WeakPolarHBondContact O-CB 3.43Å; K448-Q451 PolarHBondContact O-N 2.79Å; K448-D452 WeakPolarHBondContact CE-OD1 3.11Å; K448-D452 IonicContact NZ-OD1 2.79Å; K448-D452 PolarHBondContact NZ-OD1 2.79Å; K448-D452 PolarHBondContact O-N 2.96Å
449	K	96.8	Very high	96.2	Very high	96 Å²	96	44 Å²	44	42%	0.417	24%	0.239	S	C	.	.	H	α-helix	trans	-66.8	-37.5	174.4	-63.7	-60.8	-178.7	-173.6	0	113.1	T420 G423 A445 G446 D452 G453	T420-K449 HydrophobicContact CG2-CG 4.4Å; G423-K449 WeakPolarHBondContact CA-O 3.18Å; A445-K449 WeakPolarHBondContact O-CG 3.26Å; A445-K449 PolarHBondContact O-N 2.91Å; A445-K449 VanDerWaalsContact O-N 3.13Å; G446-K449 PolarHBondContact O-N 2.85Å; G446-K449 VanDerWaalsContact O-N 3.16Å; K449-D452 PolarHBondContact O-N 3Å; K449-G453 PolarHBondContact O-N 3.35Å; K449-G453 VanDerWaalsContact O-N 3.14Å
450	L	97.5	Very high	96.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.6	-43.5	172.7	-70.1	171.8	0	0	0	111.2	A419 F422 L426 L437 I442 G446 S447 G453 I454 L465 I478	A419-L450 HydrophobicContact CB-CD1 4.14Å; A419-L450 HydrophobicContact CB-CG 4.08Å; F422-L450 HydrophobicContact CB-CD2 3.65Å; L426-L450 HydrophobicContact CD1-CD2 4.33Å; L437-L450 HydrophobicContact CD1-CD1 3.88Å; L437-L450 HydrophobicContact CD1-CD2 4.2Å; I442-L450 HydrophobicContact CG2-CD1 4.21Å; G446-L450 PolarHBondContact O-N 2.84Å; S447-L450 PolarHBondContact O-N 2.98Å; L450-G453 PolarHBondContact O-N 3.03Å; L450-I454 WeakPolarHBondContact O-CB 3.31Å; L450-I454 WeakPolarHBondContact O-CD1 3.5Å; L450-I454 VanDerWaalsContact O-CG1 3.27Å; L450-I454 WeakPolarHBondContact O-CG1 3.48Å; L450-I454 PolarHBondContact O-N 3.43Å; L450-L465 HydrophobicContact CD1-CD1 4.38Å; L450-L465 HydrophobicContact CD1-CD2 3.71Å; L450-I478 HydrophobicContact CB-CD1 4.33Å
451	Q	97.1	Very high	96.2	Very high	28 Å²	28	41.9 Å²	41.9	13%	0.131	23%	0.227	C	C	.	.	H	α-helix	trans	-56.3	-53.1	174.4	-176.8	-162.8	-10	0	0	111	S447 K448 G453 I454 D455 A477 I478	S447-Q451 WeakPolarHBondContact O-CB 3.38Å; S447-Q451 PolarHBondContact O-N 3.05Å; K448-Q451 VanDerWaalsContact CD-OE1 3.24Å; K448-Q451 WeakPolarHBondContact O-CB 3.43Å; K448-Q451 PolarHBondContact O-N 2.79Å; Q451-G453 PolarHBondContact O-N 2.66Å; Q451-G453 VanDerWaalsContact O-N 3.17Å; Q451-I454 PolarHBondContact O-N 3.39Å; Q451-I454 VanDerWaalsContact O-N 3.12Å; Q451-D455 PolarHBondContact O-N 2.84Å; Q451-A477 HydrophobicContact CG-CB 3.93Å; Q451-A477 VanDerWaalsContact NE2-CB 3.27Å; Q451-I478 HydrophobicContact CB-CD1 4.22Å; Q451-I478 HydrophobicContact CB-CG1 4.01Å; Q451-I478 HydrophobicContact CG-CG1 4.31Å
452	D	95.9	Very high	96.3	Very high	60 Å²	60	39.7 Å²	39.7	32%	0.321	22%	0.217	S	C	.	.	H	α-helix	trans	-58.9	-32	-178.5	-62.5	-17.1	0	0	0	112.2	K448 K449	K448-D452 WeakPolarHBondContact CE-OD1 3.11Å; K448-D452 IonicContact NZ-OD1 2.79Å; K448-D452 PolarHBondContact NZ-OD1 2.79Å; K448-D452 PolarHBondContact O-N 2.96Å; K449-D452 PolarHBondContact O-N 3Å
453	G	96.3	Very high	96.3	Very high	2 Å²	2	40.8 Å²	40.8	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-72.8	-46.2	174.7	0	0	0	0	0	113.6	G423 K449 L450 Q451 D455 Q456 N457	G423-G453 VanDerWaalsContact O-CA 3.23Å; G423-G453 WeakPolarHBondContact O-CA 3.41Å; K449-G453 PolarHBondContact O-N 3.35Å; K449-G453 VanDerWaalsContact O-N 3.14Å; L450-G453 PolarHBondContact O-N 3.03Å; Q451-G453 PolarHBondContact O-N 2.66Å; Q451-G453 VanDerWaalsContact O-N 3.17Å; G453-D455 VanDerWaalsContact C-N 3.29Å; G453-D455 PolarHBondContact O-N 3.3Å; G453-Q456 PolarHBondContact O-N 3.47Å; G453-N457 PolarHBondContact O-N 2.84Å
454	I	96.2	Very high	96.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68.3	-30.6	-179.3	-71.4	164.4	0	0	0	111.5	L426 L450 Q451 Q456 N457 L460 L463 I478 R481	L426-I454 HydrophobicContact CD1-CD1 4.1Å; L426-I454 HydrophobicContact CD1-CG1 3.66Å; L450-I454 WeakPolarHBondContact O-CB 3.31Å; L450-I454 WeakPolarHBondContact O-CD1 3.5Å; L450-I454 VanDerWaalsContact O-CG1 3.27Å; L450-I454 WeakPolarHBondContact O-CG1 3.48Å; L450-I454 PolarHBondContact O-N 3.43Å; Q451-I454 PolarHBondContact O-N 3.39Å; Q451-I454 VanDerWaalsContact O-N 3.12Å; I454-Q456 PolarHBondContact O-N 3.33Å; I454-N457 PolarHBondContact O-N 3.16Å; I454-L460 HydrophobicContact CD1-CD2 4.07Å; I454-L460 HydrophobicContact CG1-CD2 4.1Å; I454-L463 HydrophobicContact CD1-CD2 3.17Å; I454-L463 HydrophobicContact CD1-CG 4.5Å; I454-I478 HydrophobicContact CD1-CD1 4.2Å; I454-I478 HydrophobicContact CD1-CG1 4.07Å; I454-I478 HydrophobicContact CD1-CG2 3.97Å; I454-R481 HydrophobicContact CG2-CB 3.91Å; I454-R481 HydrophobicContact CG2-CG 3.45Å; I454-R481 VanDerWaalsContact CG2-CG 3.45Å; I454-R481 WeakPolarHBondContact O-CG 3.5Å
455	D	95.3	Very high	96.5	Very high	60 Å²	60	36.8 Å²	36.8	32%	0.321	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-21.5	174	-79.2	-23.5	0	0	0	113.2	Q451 G453 R481	Q451-D455 PolarHBondContact O-N 2.84Å; G453-D455 VanDerWaalsContact C-N 3.29Å; G453-D455 PolarHBondContact O-N 3.3Å; D455-R481 PolarHBondContact O-NH2 2.91Å
456	Q	93.7	Very high	96.5	Very high	139 Å²	139	42.1 Å²	42.1	65%	0.65	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.1	-2.8	175.7	-63.4	174	56.8	0	0	113.1	T427 G453 I454	T427-Q456 HydrophobicContact CG2-CB 4.32Å; G453-Q456 PolarHBondContact O-N 3.47Å; I454-Q456 PolarHBondContact O-N 3.33Å
457	N	96.7	Very high	96.5	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.011	24%	0.237	C	C	.	.			trans	-100.8	131.7	-176.5	-173.4	-77.8	0	0	0	111.6	L426 N429 G453 I454 S459 L460 N485	L426-N457 WeakPolarHBondContact O-CB 3.44Å; L426-N457 PolarHBondContact O-ND2 3.25Å; N429-N457 PolarHBondContact O-ND2 2.68Å; G453-N457 PolarHBondContact O-N 2.84Å; I454-N457 PolarHBondContact O-N 3.16Å; N457-S459 PolarHBondContact ND2-OG 2.91Å; N457-S459 PolarHBondContact OD1-N 3.41Å; N457-S459 PolarHBondContact OD1-OG 2.71Å; N457-L460 WeakPolarHBondContact OD1-CB 3.1Å; N457-L460 PolarHBondContact OD1-N 3.15Å; N457-N485 PolarHBondContact O-ND2 3.36Å
458	S	94.3	Very high	96.5	Very high	70 Å²	70	49.9 Å²	49.9	49%	0.49	24%	0.238	S	C	.	.	S	Bend	trans	-110	-3.8	177.7	56.9	0	0	0	0	114.5
459	S	96	Very high	96.4	Very high	18 Å²	18	48 Å²	48	13%	0.126	24%	0.244	C	C	.	.	S	Bend	trans	-95.6	-32	-175.1	70.2	0	0	0	0	113.7	N430 L432 N457 I461	N430-S459 VanDerWaalsContact C-CB 3.41Å; N430-S459 WeakPolarHBondContact CA-OG 3.28Å; N430-S459 VanDerWaalsContact O-CB 3.25Å; N430-S459 WeakPolarHBondContact O-CB 3.49Å; L432-S459 CarbonylContact O-C 3.49Å; L432-S459 PolarHBondContact O-OG 3.27Å; N457-S459 PolarHBondContact ND2-OG 2.91Å; N457-S459 PolarHBondContact OD1-N 3.41Å; N457-S459 PolarHBondContact OD1-OG 2.71Å; S459-I461 PolarHBondContact O-N 3.4Å
460	L	97.8	Very high	96.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.23	C	C	.	.			trans	-73.2	121.7	-176.4	-159.5	74.2	0	0	0	109.3	L426 L432 L435 I454 N457 L463 I482 N485	L426-L460 HydrophobicContact CD1-CD2 4.31Å; L426-L460 HydrophobicContact CD2-CD1 4.32Å; L426-L460 HydrophobicContact CD2-CD2 4.05Å; L432-L460 HydrophobicContact CB-CD1 4.48Å; L432-L460 HydrophobicContact CD2-CD1 4.19Å; L432-L460 HydrophobicContact CG-CD1 4.15Å; L432-L460 PolarHBondContact O-N 3.45Å; L435-L460 HydrophobicContact CB-CD1 4.03Å; I454-L460 HydrophobicContact CD1-CD2 4.07Å; I454-L460 HydrophobicContact CG1-CD2 4.1Å; N457-L460 WeakPolarHBondContact OD1-CB 3.1Å; N457-L460 PolarHBondContact OD1-N 3.15Å; L460-L463 HydrophobicContact CD2-CB 4Å; L460-L463 HydrophobicContact CD2-CD2 4.46Å; L460-I482 HydrophobicContact CB-CD1 4.22Å; L460-I482 HydrophobicContact CD2-CD1 4.16Å; L460-I482 HydrophobicContact CG-CD1 4.05Å; L460-I482 VanDerWaalsContact O-CD1 3.27Å; L460-I482 WeakPolarHBondContact O-CD1 3.31Å; L460-N485 VanDerWaalsContact O-CB 3.28Å; L460-N485 WeakPolarHBondContact O-CB 3.22Å; L460-N485 PolarHBondContact O-ND2 2.82Å
461	I	97.4	Very high	96.1	Very high	35 Å²	35	45.5 Å²	45.5	18%	0.179	24%	0.238	C	C	.	.			trans	-117.3	-5.4	-179.6	61.4	171.8	0	0	0	112.3	T433 S459 I482 N485 Q486	T433-I461 VanDerWaalsContact O-CG1 3.3Å; T433-I461 WeakPolarHBondContact O-CG1 3.44Å; T433-I461 PolarHBondContact O-N 3.43Å; S459-I461 PolarHBondContact O-N 3.4Å; I461-I482 WeakPolarHBondContact O-CG2 3.27Å; I461-N485 HydrophobicContact CG2-CB 4.21Å; I461-Q486 HydrophobicContact CB-CG 3.87Å; I461-Q486 HydrophobicContact CG2-CG 4.27Å; I461-Q486 PolarHBondContact O-NE2 2.51Å
462	H	97.9	Very high	95.8	Very high	81 Å²	81	51.8 Å²	51.8	38%	0.375	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	127.1	173.2	-174.6	70.7	0	0	0	110.7	T433 H434 L435	T433-H462 PolarHBondContact O-N 2.85Å; H434-H462 WeakPolarHBondContact CA-O 3.47Å; H434-H462 HydrophobicContact CB-CB 4.21Å; H434-H462 WeakPolarHBondContact CD2-CB 3.27Å; H434-H462 AromaticContact CD2-CG 3.89Å; L435-H462 PolarHBondContact N-O 3.38Å
463	L	98	Very high	95.8	Very high	23 Å²	23	55.3 Å²	55.3	12%	0.12	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	119.1	168.7	176.3	56.5	0	0	0	109.9	L435 L437 I454 L460 L465 I478 I482	L435-L463 HydrophobicContact CB-CD1 3.97Å; L435-L463 HydrophobicContact CD2-CD1 4.02Å; L435-L463 HydrophobicContact CG-CD1 3.85Å; L435-L463 VanDerWaalsContact O-CA 3.25Å; L435-L463 WeakPolarHBondContact O-CA 3.34Å; L435-L463 WeakPolarHBondContact O-CD1 3.25Å; L437-L463 HydrophobicContact CD1-CD1 4.33Å; I454-L463 HydrophobicContact CD1-CD2 3.17Å; I454-L463 HydrophobicContact CD1-CG 4.5Å; L460-L463 HydrophobicContact CD2-CB 4Å; L460-L463 HydrophobicContact CD2-CD2 4.46Å; L463-L465 HydrophobicContact CD1-CD2 4.11Å; L463-L465 HydrophobicContact CD1-CG 4.31Å; L463-L465 HydrophobicContact CD2-CD1 4.02Å; L463-L465 HydrophobicContact CD2-CD2 4.32Å; L463-L465 HydrophobicContact CD2-CG 4.11Å; L463-L465 HydrophobicContact CG-CD1 4.34Å; L463-L465 HydrophobicContact CG-CD2 4.24Å; L463-L465 HydrophobicContact CG-CG 3.93Å; L463-I478 HydrophobicContact CB-CG2 4.35Å; L463-I478 HydrophobicContact CD2-CD1 4.31Å; L463-I478 HydrophobicContact CD2-CG2 3.92Å; L463-I478 HydrophobicContact CG-CG2 4.49Å; L463-I482 HydrophobicContact CB-CD1 4.44Å
464	D	97.6	Very high	95.6	Very high	16 Å²	16	55.3 Å²	55.3	9%	0.086	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	118.7	173.3	-166.2	-16	0	0	0	110.9	L435 D436 L437 S438 R466	L435-D464 PolarHBondContact O-N 3.03Å; D436-D464 HydrophobicContact CB-CB 4.3Å; L437-D464 CarbonylContact C-O 3.51Å; L437-D464 PolarHBondContact N-O 3.19Å; S438-D464 PolarHBondContact N-O 2.89Å; D464-R466 VanDerWaalsContact OD1-CB 3.31Å; D464-R466 WeakPolarHBondContact OD1-CB 3.44Å; D464-R466 VanDerWaalsContact OD1-CG 3.23Å; D464-R466 WeakPolarHBondContact OD1-CG 3.19Å; D464-R466 PolarHBondContact OD1-N 3.42Å; D464-R466 IonicContact OD1-NE 3.07Å; D464-R466 PolarHBondContact OD1-NE 3.47Å; D464-R466 VanDerWaalsContact OD1-NE 3.09Å; D464-R466 IonicContact OD2-CZ 2.95Å; D464-R466 IonicContact OD2-NE 3.87Å; D464-R466 PolarHBondContact OD2-NE 3.34Å; D464-R466 IonicContact OD2-NH2 3.09Å; D464-R466 PolarHBondContact OD2-NH2 3.08Å
465	L	96.9	Very high	95.6	Very high	11 Å²	11	58.9 Å²	58.9	6%	0.058	30%	0.299	C	S	.	.			trans	-118.4	14.3	176.9	-65.7	177.8	0	0	0	113	L437 L450 L463 F467 T468 S470 I478	L437-L465 HydrophobicContact CB-CD2 4.02Å; L437-L465 HydrophobicContact CD1-CD2 4.28Å; L450-L465 HydrophobicContact CD1-CD1 4.38Å; L450-L465 HydrophobicContact CD1-CD2 3.71Å; L463-L465 HydrophobicContact CD1-CD2 4.11Å; L463-L465 HydrophobicContact CD1-CG 4.31Å; L463-L465 HydrophobicContact CD2-CD1 4.02Å; L463-L465 HydrophobicContact CD2-CD2 4.32Å; L463-L465 HydrophobicContact CD2-CG 4.11Å; L463-L465 HydrophobicContact CG-CD1 4.34Å; L463-L465 HydrophobicContact CG-CD2 4.24Å; L463-L465 HydrophobicContact CG-CG 3.93Å; L465-F467 PolarHBondContact O-N 2.64Å; L465-T468 HydrophobicContact CB-CG2 4.41Å; L465-T468 HydrophobicContact CD2-CG2 4.4Å; L465-T468 WeakPolarHBondContact O-CB 3.31Å; L465-T468 WeakPolarHBondContact O-CG2 3.33Å; L465-T468 PolarHBondContact O-N 3.4Å; L465-T468 PolarHBondContact O-OG1 3.38Å; L465-S470 PolarHBondContact O-OG 3.08Å; L465-I478 HydrophobicContact CD1-CD1 3.58Å
466	R	95.9	Very high	95.6	Very high	155 Å²	155	63 Å²	63	59%	0.585	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	137.9	-179.9	-69.3	177.6	-61.9	163.3	1.3	110.8	S438 N439 D464 T468	S438-R466 CarbonylContact C-O 3.24Å; S438-R466 WeakPolarHBondContact CA-O 3.45Å; S438-R466 VanDerWaalsContact CB-O 3.28Å; S438-R466 WeakPolarHBondContact CB-O 3.3Å; N439-R466 PolarHBondContact N-O 2.79Å; D464-R466 VanDerWaalsContact OD1-CB 3.31Å; D464-R466 WeakPolarHBondContact OD1-CB 3.44Å; D464-R466 VanDerWaalsContact OD1-CG 3.23Å; D464-R466 WeakPolarHBondContact OD1-CG 3.19Å; D464-R466 PolarHBondContact OD1-N 3.42Å; D464-R466 IonicContact OD1-NE 3.07Å; D464-R466 PolarHBondContact OD1-NE 3.47Å; D464-R466 VanDerWaalsContact OD1-NE 3.09Å; D464-R466 IonicContact OD2-CZ 2.95Å; D464-R466 IonicContact OD2-NE 3.87Å; D464-R466 PolarHBondContact OD2-NE 3.34Å; D464-R466 IonicContact OD2-NH2 3.09Å; D464-R466 PolarHBondContact OD2-NH2 3.08Å; R466-T468 PolarHBondContact O-N 3.34Å
467	F	95.8	Very high	95.7	Very high	160 Å²	160	57.5 Å²	57.5	70%	0.702	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	35.8	-179.2	-51.5	-71.2	0	0	0	113.4	N439 L465	N439-F467 WeakPolarHBondContact CA-O 3.39Å; L465-F467 PolarHBondContact O-N 2.64Å
468	T	96.4	Very high	95.7	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.012	29%	0.29	C	S	.	.	S	Bend	trans	-102.4	-5.9	175.1	67.4	0	0	0	0	115	L437 N440 I442 G443 L465 R466 S470	L437-T468 WeakPolarHBondContact O-CG2 3.23Å; N440-T468 VanDerWaalsContact O-CA 3.27Å; N440-T468 WeakPolarHBondContact O-CA 3.25Å; I442-T468 HydrophobicContact CG1-CG2 4.02Å; I442-T468 PolarHBondContact N-O 3.37Å; G443-T468 PolarHBondContact N-O 2.87Å; L465-T468 HydrophobicContact CB-CG2 4.41Å; L465-T468 HydrophobicContact CD2-CG2 4.4Å; L465-T468 WeakPolarHBondContact O-CB 3.31Å; L465-T468 WeakPolarHBondContact O-CG2 3.33Å; L465-T468 PolarHBondContact O-N 3.4Å; L465-T468 PolarHBondContact O-OG1 3.38Å; R466-T468 PolarHBondContact O-N 3.34Å; T468-S470 VanDerWaalsContact C-N 3.29Å; T468-S470 PolarHBondContact OG1-OG 3.23Å; T468-S470 VanDerWaalsContact OG1-OG 3.05Å
469	G	94.7	Very high	95.9	Very high	51 Å²	51	57 Å²	57	53%	0.526	29%	0.285	S	S	.	.			trans	73.9	20.5	-171.7	0	0	0	0	0	113.3	G443 V444	G443-G469 CarbonylContact C-O 3.45Å; G443-G469 VanDerWaalsContact C-O 3.24Å; G443-G469 WeakPolarHBondContact CA-O 3.23Å; V444-G469 PolarHBondContact N-O 2.95Å; V444-G469 VanDerWaalsContact N-O 3.14Å
470	S	93.8	Very high	95.9	Very high	18 Å²	18	59.2 Å²	59.2	13%	0.126	29%	0.294	C	S	.	.			trans	-64	150.6	172.9	34.3	0	0	0	0	112.1	L465 T468 E475	L465-S470 PolarHBondContact O-OG 3.08Å; T468-S470 VanDerWaalsContact C-N 3.29Å; T468-S470 PolarHBondContact OG1-OG 3.23Å; T468-S470 VanDerWaalsContact OG1-OG 3.05Å; S470-E475 WeakPolarHBondContact CB-OE1 3.45Å; S470-E475 PolarHBondContact OG-OE1 3.05Å
471	S	93.5	Very high	95.9	Very high	24 Å²	24	62.7 Å²	62.7	17%	0.168	31%	0.307	C	S	.	.			trans	-81.1	150.3	172.3	91.2	0	0	0	0	111.2	S447 E473 A474 E475	S447-S471 PolarHBondContact OG-N 3.44Å; S471-E473 WeakPolarHBondContact CB-OE2 3.45Å; S471-E473 PolarHBondContact O-N 2.91Å; S471-E473 PolarHBondContact OG-OE2 3.5Å; S471-A474 PolarHBondContact O-N 3Å; S471-A474 PolarHBondContact OG-N 3.17Å; S471-E475 PolarHBondContact O-N 3.26Å
472	Q	92.7	Very high	95.9	Very high	161 Å²	161	61.7 Å²	61.7	75%	0.752	30%	0.302	S	S	*	.	H	α-helix	trans	-61.8	-32.8	179.8	-172	176.5	-9.2	0	0	111.8	Y476	Q472-Y476 VanDerWaalsContact O-CB 3.24Å; Q472-Y476 WeakPolarHBondContact O-CB 3.27Å; Q472-Y476 PolarHBondContact O-N 3.28Å
473	E	94	Very high	95.9	Very high	134 Å²	134	62.8 Å²	62.8	63%	0.626	31%	0.307	S	S	*	.	H	α-helix	trans	-66.8	-43	177.2	-54.9	75.2	-163.5	0	0	111.6	S471 A477	S471-E473 WeakPolarHBondContact CB-OE2 3.45Å; S471-E473 PolarHBondContact O-N 2.91Å; S471-E473 PolarHBondContact OG-OE2 3.5Å; E473-A477 WeakPolarHBondContact O-CB 3.28Å; E473-A477 PolarHBondContact O-N 3.44Å
474	A	93.6	Very high	95.8	Very high	1 Å²	1	66.5 Å²	66.5	1%	0.008	33%	0.325	C	S	.	.	H	α-helix	trans	-67.2	-45.3	177.2	0	0	0	0	0	110.9	S471 Y476 A477 I478	S471-A474 PolarHBondContact O-N 3Å; S471-A474 PolarHBondContact OG-N 3.17Å; A474-Y476 VanDerWaalsContact C-N 3.34Å; A474-Y476 PolarHBondContact O-N 3.12Å; A474-A477 PolarHBondContact O-N 2.92Å; A474-I478 WeakPolarHBondContact O-CB 3.48Å; A474-I478 WeakPolarHBondContact O-CG1 3.48Å; A474-I478 PolarHBondContact O-N 3.49Å
475	E	94.8	Very high	95.8	Very high	75 Å²	75	65.8 Å²	65.8	35%	0.35	32%	0.321	S	S	.	.	H	α-helix	trans	-60.1	-42.7	176.1	-73	-179.5	-155.2	0	0	112.3	S470 S471 S479	S470-E475 WeakPolarHBondContact CB-OE1 3.45Å; S470-E475 PolarHBondContact OG-OE1 3.05Å; S471-E475 PolarHBondContact O-N 3.26Å; E475-S479 VanDerWaalsContact O-CB 3.31Å; E475-S479 WeakPolarHBondContact O-CB 3.38Å; E475-S479 PolarHBondContact O-N 3Å; E475-S479 PolarHBondContact O-OG 3.05Å
476	Y	96.1	Very high	95.8	Very high	147 Å²	147	69.6 Å²	69.6	58%	0.576	34%	0.339	S	S	*	.	H	α-helix	trans	-62.7	-50.5	176.5	179.3	-104.8	0	0	0	111.2	Q472 A474 I478 S479 Q480	Q472-Y476 VanDerWaalsContact O-CB 3.24Å; Q472-Y476 WeakPolarHBondContact O-CB 3.27Å; Q472-Y476 PolarHBondContact O-N 3.28Å; A474-Y476 VanDerWaalsContact C-N 3.34Å; A474-Y476 PolarHBondContact O-N 3.12Å; Y476-I478 VanDerWaalsContact C-N 3.35Å; Y476-I478 PolarHBondContact O-N 3.16Å; Y476-S479 WeakPolarHBondContact O-CB 3.4Å; Y476-S479 PolarHBondContact O-N 2.89Å; Y476-S479 VanDerWaalsContact O-N 3.14Å; Y476-Q480 HydrophobicContact CD1-CG 4.3Å; Y476-Q480 HydrophobicContact CE1-CG 3.87Å; Y476-Q480 HydrophobicContact CE2-CG 4.15Å; Y476-Q480 WeakPolarHBondContact O-CG 3.18Å; Y476-Q480 PolarHBondContact O-N 3.19Å
477	A	96.2	Very high	95.8	Very high	23 Å²	23	65.2 Å²	65.2	19%	0.19	34%	0.336	C	S	.	.	H	α-helix	trans	-61	-42.4	179.2	0	0	0	0	0	112.6	Q451 E473 A474 S479 Q480 R481	Q451-A477 HydrophobicContact CG-CB 3.93Å; Q451-A477 VanDerWaalsContact NE2-CB 3.27Å; E473-A477 WeakPolarHBondContact O-CB 3.28Å; E473-A477 PolarHBondContact O-N 3.44Å; A474-A477 PolarHBondContact O-N 2.92Å; A477-S479 VanDerWaalsContact C-N 3.35Å; A477-Q480 PolarHBondContact O-N 3.05Å; A477-R481 PolarHBondContact O-N 3.48Å; A477-R481 VanDerWaalsContact O-N 3.09Å
478	I	97.2	Very high	95.7	Very high	5 Å²	5	61.9 Å²	61.9	3%	0.026	32%	0.323	C	S	.	.	H	α-helix	trans	-60.1	-47	173.8	-71.8	170.9	0	0	0	109.9	L450 Q451 I454 L463 L465 A474 Y476 Q480 R481 I482	L450-I478 HydrophobicContact CB-CD1 4.33Å; Q451-I478 HydrophobicContact CB-CD1 4.22Å; Q451-I478 HydrophobicContact CB-CG1 4.01Å; Q451-I478 HydrophobicContact CG-CG1 4.31Å; I454-I478 HydrophobicContact CD1-CD1 4.2Å; I454-I478 HydrophobicContact CD1-CG1 4.07Å; I454-I478 HydrophobicContact CD1-CG2 3.97Å; L463-I478 HydrophobicContact CB-CG2 4.35Å; L463-I478 HydrophobicContact CD2-CD1 4.31Å; L463-I478 HydrophobicContact CD2-CG2 3.92Å; L463-I478 HydrophobicContact CG-CG2 4.49Å; L465-I478 HydrophobicContact CD1-CD1 3.58Å; A474-I478 WeakPolarHBondContact O-CB 3.48Å; A474-I478 WeakPolarHBondContact O-CG1 3.48Å; A474-I478 PolarHBondContact O-N 3.49Å; Y476-I478 VanDerWaalsContact C-N 3.35Å; Y476-I478 PolarHBondContact O-N 3.16Å; I478-Q480 PolarHBondContact O-N 3.15Å; I478-R481 PolarHBondContact O-N 3.21Å; I478-R481 VanDerWaalsContact O-N 3.16Å; I478-I482 HydrophobicContact CG2-CG1 4.15Å; I478-I482 WeakPolarHBondContact O-CB 3.47Å; I478-I482 VanDerWaalsContact O-CG1 3.28Å; I478-I482 WeakPolarHBondContact O-CG1 3.39Å; I478-I482 PolarHBondContact O-N 3.31Å
479	S	96.9	Very high	95.4	Very high	57 Å²	57	63.9 Å²	63.9	40%	0.399	34%	0.335	S	S	.	.	H	α-helix	trans	-60.1	-44.9	179.7	-59.4	0	0	0	0	111.8	E475 Y476 A477 R481 I482 E483	E475-S479 VanDerWaalsContact O-CB 3.31Å; E475-S479 WeakPolarHBondContact O-CB 3.38Å; E475-S479 PolarHBondContact O-N 3Å; E475-S479 PolarHBondContact O-OG 3.05Å; Y476-S479 WeakPolarHBondContact O-CB 3.4Å; Y476-S479 PolarHBondContact O-N 2.89Å; Y476-S479 VanDerWaalsContact O-N 3.14Å; A477-S479 VanDerWaalsContact C-N 3.35Å; S479-R481 VanDerWaalsContact C-N 3.31Å; S479-R481 PolarHBondContact O-N 3.06Å; S479-I482 PolarHBondContact O-N 3.18Å; S479-E483 WeakPolarHBondContact O-CG 3.38Å; S479-E483 PolarHBondContact O-N 3.47Å
480	Q	97	Very high	95.2	Very high	65 Å²	65	64.2 Å²	64.2	30%	0.304	33%	0.329	S	S	.	.	H	α-helix	trans	-58.8	-42.5	175.4	-66.4	-59.5	116	0	0	111.8	Y476 A477 I478 E483 M484	Y476-Q480 HydrophobicContact CD1-CG 4.3Å; Y476-Q480 HydrophobicContact CE1-CG 3.87Å; Y476-Q480 HydrophobicContact CE2-CG 4.15Å; Y476-Q480 WeakPolarHBondContact O-CG 3.18Å; Y476-Q480 PolarHBondContact O-N 3.19Å; A477-Q480 PolarHBondContact O-N 3.05Å; I478-Q480 PolarHBondContact O-N 3.15Å; Q480-E483 PolarHBondContact O-N 3.36Å; Q480-M484 WeakPolarHBondContact O-CG 3.46Å; Q480-M484 PolarHBondContact O-N 3.43Å; Q480-M484 VanDerWaalsContact O-N 3.12Å
481	R	97.1	Very high	95.1	Very high	73 Å²	73	69.5 Å²	69.5	28%	0.275	35%	0.35	S	S	.	.	H	α-helix	trans	-67.9	-41.8	177.6	177.4	60.1	76.4	178.3	10.8	111.9	I454 D455 A477 I478 S479 E483 M484 N485	I454-R481 HydrophobicContact CG2-CB 3.91Å; I454-R481 HydrophobicContact CG2-CG 3.45Å; I454-R481 VanDerWaalsContact CG2-CG 3.45Å; I454-R481 WeakPolarHBondContact O-CG 3.5Å; D455-R481 PolarHBondContact O-NH2 2.91Å; A477-R481 PolarHBondContact O-N 3.48Å; A477-R481 VanDerWaalsContact O-N 3.09Å; I478-R481 PolarHBondContact O-N 3.21Å; I478-R481 VanDerWaalsContact O-N 3.16Å; S479-R481 VanDerWaalsContact C-N 3.31Å; S479-R481 PolarHBondContact O-N 3.06Å; R481-E483 VanDerWaalsContact C-N 3.35Å; R481-M484 WeakPolarHBondContact O-CB 3.33Å; R481-M484 PolarHBondContact O-N 2.97Å; R481-N485 PolarHBondContact O-N 2.8Å
482	I	97.8	Very high	94.8	Very high	14 Å²	14	73.8 Å²	73.8	7%	0.072	37%	0.37	C	S	.	.	H	α-helix	trans	-59.7	-44.7	175.2	-70.9	-61.7	0	0	0	110.8	L460 I461 L463 I478 S479 M484 N485 Q486	L460-I482 HydrophobicContact CB-CD1 4.22Å; L460-I482 HydrophobicContact CD2-CD1 4.16Å; L460-I482 HydrophobicContact CG-CD1 4.05Å; L460-I482 VanDerWaalsContact O-CD1 3.27Å; L460-I482 WeakPolarHBondContact O-CD1 3.31Å; I461-I482 WeakPolarHBondContact O-CG2 3.27Å; L463-I482 HydrophobicContact CB-CD1 4.44Å; I478-I482 HydrophobicContact CG2-CG1 4.15Å; I478-I482 WeakPolarHBondContact O-CB 3.47Å; I478-I482 VanDerWaalsContact O-CG1 3.28Å; I478-I482 WeakPolarHBondContact O-CG1 3.39Å; I478-I482 PolarHBondContact O-N 3.31Å; S479-I482 PolarHBondContact O-N 3.18Å; I482-M484 VanDerWaalsContact C-N 3.34Å; I482-M484 PolarHBondContact O-N 2.92Å; I482-N485 PolarHBondContact O-N 3.16Å; I482-Q486 HydrophobicContact CG2-CG 4.33Å; I482-Q486 WeakPolarHBondContact O-CG 3.46Å; I482-Q486 PolarHBondContact O-N 3.01Å
483	E	97.5	Very high	94.3	Very high	104 Å²	104	71.4 Å²	71.4	49%	0.486	36%	0.359	S	S	.	.	H	α-helix	trans	-60	-41.9	175.9	-75	177.8	-173.3	0	0	112	S479 Q480 R481 N485 Q486 A487	S479-E483 WeakPolarHBondContact O-CG 3.38Å; S479-E483 PolarHBondContact O-N 3.47Å; Q480-E483 PolarHBondContact O-N 3.36Å; R481-E483 VanDerWaalsContact C-N 3.35Å; E483-N485 PolarHBondContact O-N 3.38Å; E483-Q486 PolarHBondContact O-N 3.05Å; E483-A487 WeakPolarHBondContact O-CB 3.32Å; E483-A487 PolarHBondContact O-N 3.25Å
484	M	97.2	Very high	93.8	Very high	101 Å²	101	70.5 Å²	70.5	50%	0.498	36%	0.355	S	S	.	.	H	α-helix	trans	-61.2	-44.1	173.9	-69.4	-178.9	-174.4	0	0	111.8	Q480 R481 I482 A487 M488	Q480-M484 WeakPolarHBondContact O-CG 3.46Å; Q480-M484 PolarHBondContact O-N 3.43Å; Q480-M484 VanDerWaalsContact O-N 3.12Å; R481-M484 WeakPolarHBondContact O-CB 3.33Å; R481-M484 PolarHBondContact O-N 2.97Å; I482-M484 VanDerWaalsContact C-N 3.34Å; I482-M484 PolarHBondContact O-N 2.92Å; M484-A487 PolarHBondContact O-N 3.09Å; M484-M488 WeakPolarHBondContact O-CG 3.43Å; M484-M488 PolarHBondContact O-N 2.92Å
485	N	96.9	Very high	93.3	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-66.3	-39.6	178.8	-68.9	-7	0	0	0	112	N457 L460 I461 R481 I482 E483 M488 T489	N457-N485 PolarHBondContact O-ND2 3.36Å; L460-N485 VanDerWaalsContact O-CB 3.28Å; L460-N485 WeakPolarHBondContact O-CB 3.22Å; L460-N485 PolarHBondContact O-ND2 2.82Å; I461-N485 HydrophobicContact CG2-CB 4.21Å; R481-N485 PolarHBondContact O-N 2.8Å; I482-N485 PolarHBondContact O-N 3.16Å; E483-N485 PolarHBondContact O-N 3.38Å; N485-M488 PolarHBondContact O-N 2.9Å; N485-M488 WeakPolarHBondContact OD1-CE 3.34Å; N485-T489 WeakPolarHBondContact O-CB 3.27Å; N485-T489 PolarHBondContact O-N 3.48Å; N485-T489 PolarHBondContact O-OG1 3.45Å
486	Q	96.5	Very high	92.4	Very high	92 Å²	92	77.3 Å²	77.3	43%	0.43	39%	0.385	S	S	.	.	H	α-helix	trans	-61.4	-46	172.9	-73.7	174.7	-0.6	0	0	111.5	I461 I482 E483 T489 C490	I461-Q486 HydrophobicContact CB-CG 3.87Å; I461-Q486 HydrophobicContact CG2-CG 4.27Å; I461-Q486 PolarHBondContact O-NE2 2.51Å; I482-Q486 HydrophobicContact CG2-CG 4.33Å; I482-Q486 WeakPolarHBondContact O-CG 3.46Å; I482-Q486 PolarHBondContact O-N 3.01Å; E483-Q486 PolarHBondContact O-N 3.05Å; Q486-T489 PolarHBondContact O-N 3.14Å; Q486-C490 WeakPolarHBondContact O-CB 3.4Å; Q486-C490 PolarHBondContact O-N 3.36Å
487	A	95.9	Very high	91.2	Very high	63 Å²	63	77.2 Å²	77.2	52%	0.521	39%	0.388	S	S	.	.	H	α-helix	trans	-62.5	-42.7	177.8	0	0	0	0	0	112.1	E483 M484 C490 K491	E483-A487 WeakPolarHBondContact O-CB 3.32Å; E483-A487 PolarHBondContact O-N 3.25Å; M484-A487 PolarHBondContact O-N 3.09Å; A487-C490 PolarHBondContact O-N 2.89Å; A487-K491 WeakPolarHBondContact O-CB 3.37Å; A487-K491 PolarHBondContact O-N 3.34Å
488	M	93.7	Very high	90.1	Very high	90 Å²	90	81 Å²	81	44%	0.443	40%	0.404	S	S	.	.	H	α-helix	trans	-62.1	-44.4	174.3	-73.5	-171.9	-67.9	0	0	111.8	M484 N485 C490 K491 L492	M484-M488 WeakPolarHBondContact O-CG 3.43Å; M484-M488 PolarHBondContact O-N 2.92Å; N485-M488 PolarHBondContact O-N 2.9Å; N485-M488 WeakPolarHBondContact OD1-CE 3.34Å; M488-C490 PolarHBondContact O-N 3.45Å; M488-K491 PolarHBondContact O-N 3.25Å; M488-L492 WeakPolarHBondContact O-CG 3.49Å; M488-L492 PolarHBondContact O-N 3.34Å
489	T	90.8	Very high	88.6	Confident	43 Å²	43	84.9 Å²	84.9	26%	0.264	43%	0.428	S	S	.	.	H	α-helix	trans	-62.7	-43.1	177.9	-57.7	0	0	0	0	111.5	N485 Q486 L492 Q493	N485-T489 WeakPolarHBondContact O-CB 3.27Å; N485-T489 PolarHBondContact O-N 3.48Å; N485-T489 PolarHBondContact O-OG1 3.45Å; Q486-T489 PolarHBondContact O-N 3.14Å; T489-L492 PolarHBondContact O-N 2.71Å; T489-Q493 WeakPolarHBondContact O-CG 3.5Å; T489-Q493 PolarHBondContact O-N 2.87Å
490	C	91.1	Very high	86.8	Confident	58 Å²	58	87.1 Å²	87.1	39%	0.392	43%	0.432	S	S	.	.	H	α-helix	trans	-61.5	-44	176.7	-173.5	0	0	0	0	111.6	Q486 A487 M488 L492 Q493 Q494	Q486-C490 WeakPolarHBondContact O-CB 3.4Å; Q486-C490 PolarHBondContact O-N 3.36Å; A487-C490 PolarHBondContact O-N 2.89Å; M488-C490 PolarHBondContact O-N 3.45Å; C490-L492 PolarHBondContact O-N 3.12Å; C490-Q493 PolarHBondContact O-N 3.45Å; C490-Q494 WeakPolarHBondContact O-CG 3.45Å; C490-Q494 PolarHBondContact O-N 3.41Å
491	K	90.7	Very high	84.9	Confident	129 Å²	129	92.2 Å²	92.2	56%	0.561	46%	0.456	S	S	*	.	H	α-helix	trans	-61.4	-44.7	176.5	-171.3	-178.6	178.9	-166	0	112	A487 M488 Q493 Q494 E495	A487-K491 WeakPolarHBondContact O-CB 3.37Å; A487-K491 PolarHBondContact O-N 3.34Å; M488-K491 PolarHBondContact O-N 3.25Å; K491-Q493 VanDerWaalsContact C-N 3.34Å; K491-Q493 PolarHBondContact O-N 3.17Å; K491-Q494 PolarHBondContact O-N 2.92Å; K491-E495 WeakPolarHBondContact CE-OE1 3.33Å; K491-E495 IonicContact NZ-OE1 3.9Å; K491-E495 WeakPolarHBondContact O-CG 3.18Å; K491-E495 PolarHBondContact O-N 2.88Å
492	L	86.3	Confident	82.7	Confident	114 Å²	114	93.4 Å²	93.4	60%	0.597	48%	0.475	S	S	*	.	H	α-helix	trans	-63.9	-38.3	177.3	-71	172.2	0	0	0	112.4	M488 T489 C490 F496	M488-L492 WeakPolarHBondContact O-CG 3.49Å; M488-L492 PolarHBondContact O-N 3.34Å; T489-L492 PolarHBondContact O-N 2.71Å; C490-L492 PolarHBondContact O-N 3.12Å; L492-F496 WeakPolarHBondContact O-CB 3.23Å; L492-F496 PolarHBondContact O-N 3.19Å
493	Q	83.2	Confident	80.4	Confident	112 Å²	112	98 Å²	98	52%	0.523	50%	0.499	S	S	.	.	H	α-helix	trans	-64.5	-43.6	174.9	-73	174	-5.4	0	0	111.2	T489 C490 K491 F496 F497	T489-Q493 WeakPolarHBondContact O-CG 3.5Å; T489-Q493 PolarHBondContact O-N 2.87Å; C490-Q493 PolarHBondContact O-N 3.45Å; K491-Q493 VanDerWaalsContact C-N 3.34Å; K491-Q493 PolarHBondContact O-N 3.17Å; Q493-F496 WeakPolarHBondContact O-CB 3.48Å; Q493-F496 PolarHBondContact O-N 3.44Å; Q493-F497 WeakPolarHBondContact O-CD2 3.38Å; Q493-F497 PolarHBondContact O-N 3.16Å
494	Q	83.8	Confident	77.9	Confident	114 Å²	114	97.4 Å²	97.4	53%	0.533	50%	0.504	S	S	.	.	H	α-helix	trans	-62.7	-47.1	176.6	-72.1	174.8	-1.2	0	0	112.2	C490 K491 F496 F497 D498	C490-Q494 WeakPolarHBondContact O-CG 3.45Å; C490-Q494 PolarHBondContact O-N 3.41Å; K491-Q494 PolarHBondContact O-N 2.92Å; Q494-F496 PolarHBondContact O-N 3.14Å; Q494-F497 PolarHBondContact O-N 2.85Å; Q494-D498 PolarHBondContact O-N 3.41Å
495	E	82.5	Confident	75.7	Confident	93 Å²	93	97 Å²	97	44%	0.435	51%	0.509	S	S	.	.	H	α-helix	trans	-60.2	-35.8	176.3	-72.2	175.8	179.8	0	0	112	K491 T499	K491-E495 WeakPolarHBondContact CE-OE1 3.33Å; K491-E495 IonicContact NZ-OE1 3.9Å; K491-E495 WeakPolarHBondContact O-CG 3.18Å; K491-E495 PolarHBondContact O-N 2.88Å; E495-T499 WeakPolarHBondContact O-CB 3.5Å; E495-T499 VanDerWaalsContact O-CG2 3.31Å; E495-T499 WeakPolarHBondContact O-CG2 3.31Å; E495-T499 PolarHBondContact O-N 3.09Å; E495-T499 PolarHBondContact O-OG1 3.05Å
496	F	76.1	Confident	73.4	Confident	127 Å²	127	103.5 Å²	103.5	56%	0.557	54%	0.54	S	S	*	.	H	α-helix	trans	-66.1	-41.5	173.3	-171	-96.6	0	0	0	112.2	L492 Q493 Q494 T499 H500	L492-F496 WeakPolarHBondContact O-CB 3.23Å; L492-F496 PolarHBondContact O-N 3.19Å; Q493-F496 WeakPolarHBondContact O-CB 3.48Å; Q493-F496 PolarHBondContact O-N 3.44Å; Q494-F496 PolarHBondContact O-N 3.14Å; F496-T499 WeakPolarHBondContact CA-OG1 3.48Å; F496-T499 PolarHBondContact O-OG1 2.74Å; F496-H500 AromaticContact CD1-CD2 3.67Å; F496-H500 AromaticContact CD2-NE2 3.95Å; F496-H500 AromaticContact CE1-CD2 3.35Å; F496-H500 WeakPolarHBondContact CE1-CD2 3.38Å; F496-H500 AromaticContact CE1-NE2 3.56Å; F496-H500 AromaticContact CE2-CD2 3.72Å; F496-H500 AromaticContact CE2-NE2 3.26Å; F496-H500 VanDerWaalsContact CE2-NE2 3.26Å; F496-H500 WeakPolarHBondContact CE2-NE2 3.38Å; F496-H500 AromaticContact CG-CD2 3.99Å; F496-H500 AromaticContact CZ-CD2 3.39Å; F496-H500 WeakPolarHBondContact CZ-CD2 3.38Å; F496-H500 AromaticContact CZ-NE2 3.03Å; F496-H500 WeakPolarHBondContact CZ-NE2 3.34Å; F496-H500 PolarHBondContact O-CD2 3.3Å; F496-H500 PolarHBondContact O-N 3.14Å
497	F	71.6	Confident	71.1	Confident	145 Å²	145	106.5 Å²	106.5	64%	0.636	56%	0.557	S	S	*	*	H	α-helix	trans	-66	-42.4	175.2	-79.9	-69.6	0	0	0	112.6	Q493 Q494 H500 Q501	Q493-F497 WeakPolarHBondContact O-CD2 3.38Å; Q493-F497 PolarHBondContact O-N 3.16Å; Q494-F497 PolarHBondContact O-N 2.85Å; F497-H500 PolarHBondContact O-N 3.14Å; F497-Q501 PolarHBondContact O-N 3.13Å
498	D	73	Confident	68.8	Low	101 Å²	101	107.3 Å²	107.3	54%	0.54	56%	0.556	S	S	.	*	H	α-helix	trans	-65.9	-40.2	-179.9	-71.4	-20.4	0	0	0	112	Q494 C502	Q494-D498 PolarHBondContact O-N 3.41Å; D498-C502 VanDerWaalsContact O-CB 3.32Å; D498-C502 WeakPolarHBondContact O-CB 3.45Å; D498-C502 PolarHBondContact O-N 3.26Å
499	T	64.7	Low	66.6	Low	87 Å²	87	106.1 Å²	106.1	53%	0.534	56%	0.557	S	S	.	*	H	α-helix	trans	-67	-35	176.5	48.8	0	0	0	0	112.7	E495 F496 I503	E495-T499 WeakPolarHBondContact O-CB 3.5Å; E495-T499 VanDerWaalsContact O-CG2 3.31Å; E495-T499 WeakPolarHBondContact O-CG2 3.31Å; E495-T499 PolarHBondContact O-N 3.09Å; E495-T499 PolarHBondContact O-OG1 3.05Å; F496-T499 WeakPolarHBondContact CA-OG1 3.48Å; F496-T499 PolarHBondContact O-OG1 2.74Å; T499-I503 WeakPolarHBondContact O-CG1 3.16Å
500	H	59	Low	64.6	Low	104 Å²	104	108.4 Å²	108.4	48%	0.481	57%	0.57	S	S	.	*	H	α-helix	trans	-78.4	-26.4	177.6	-80.8	-61.6	0	0	0	114.5	F496 F497	F496-H500 AromaticContact CD1-CD2 3.67Å; F496-H500 AromaticContact CD2-NE2 3.95Å; F496-H500 AromaticContact CE1-CD2 3.35Å; F496-H500 WeakPolarHBondContact CE1-CD2 3.38Å; F496-H500 AromaticContact CE1-NE2 3.56Å; F496-H500 AromaticContact CE2-CD2 3.72Å; F496-H500 AromaticContact CE2-NE2 3.26Å; F496-H500 VanDerWaalsContact CE2-NE2 3.26Å; F496-H500 WeakPolarHBondContact CE2-NE2 3.38Å; F496-H500 AromaticContact CG-CD2 3.99Å; F496-H500 AromaticContact CZ-CD2 3.39Å; F496-H500 WeakPolarHBondContact CZ-CD2 3.38Å; F496-H500 AromaticContact CZ-NE2 3.03Å; F496-H500 WeakPolarHBondContact CZ-NE2 3.34Å; F496-H500 PolarHBondContact O-CD2 3.3Å; F496-H500 PolarHBondContact O-N 3.14Å; F497-H500 PolarHBondContact O-N 3.14Å
501	Q	57.6	Low	62.4	Low	172 Å²	172	109 Å²	109	80%	0.804	58%	0.579	S	S	*	*	H	α-helix	trans	-76	-33.2	168.4	-80.7	-169.1	-3.5	0	0	112.8	F497 I503	F497-Q501 PolarHBondContact O-N 3.13Å; Q501-I503 PolarHBondContact O-N 3.45Å
502	C	50.9	Low	60.3	Low	99 Å²	99	113 Å²	113	67%	0.669	59%	0.591	S	S	*	*			trans	-77.5	2.3	-178.7	-81.3	0	0	0	0	114.8	D498 P504	D498-C502 VanDerWaalsContact O-CB 3.32Å; D498-C502 WeakPolarHBondContact O-CB 3.45Å; D498-C502 PolarHBondContact O-N 3.26Å; C502-P504 WeakPolarHBondContact O-CD 3.39Å; C502-P504 WeakPolarHBondContact O-CG 3.4Å; C502-P504 VanDerWaalsContact O-N 3.07Å
503	I	48.6	Very low	58.5	Low	111 Å²	111	116 Å²	116	57%	0.569	60%	0.602	S	S	*	*			trans	-71.2	99.9	168.9	-53.3	176.3	0	0	0	107	T499 Q501 C505	T499-I503 WeakPolarHBondContact O-CG1 3.16Å; Q501-I503 PolarHBondContact O-N 3.45Å; I503-C505 PolarHBondContact O-N 2.87Å
504	P	45.8	Very low	56.6	Low	91 Å²	91	118.2 Å²	118.2	59%	0.591	61%	0.612	S	S	*	*			trans	-70.2	135.8	179.8	-3.8	25	0	0	0	105.7	C502 E506	C502-P504 WeakPolarHBondContact O-CD 3.39Å; C502-P504 WeakPolarHBondContact O-CG 3.4Å; C502-P504 VanDerWaalsContact O-N 3.07Å; P504-E506 HydrophobicContact CB-CG 4.24Å; P504-E506 PolarHBondContact O-N 3.4Å
505	C	51.5	Low	54.4	Low	91 Å²	91	123.4 Å²	123.4	62%	0.615	63%	0.626	S	S	*	*			trans	-66.6	70.1	167.4	-69.5	0	0	0	0	109.4	I503 I507 T508 S509	I503-C505 PolarHBondContact O-N 2.87Å; C505-I507 PolarHBondContact O-N 3.3Å; C505-T508 HydrophobicContact CB-CG2 4.43Å; C505-T508 WeakPolarHBondContact CB-OG1 3.24Å; C505-T508 PolarHBondContact O-N 3.01Å; C505-T508 PolarHBondContact O-OG1 3.29Å; C505-T508 VanDerWaalsContact O-OG1 3.1Å; C505-S509 PolarHBondContact O-N 3.38Å
506	E	47.5	Very low	52.6	Low	138 Å²	138	123.9 Å²	123.9	65%	0.645	64%	0.638	S	S	*	*	H	α-helix	trans	-62.9	-20.3	170.9	-71.3	-168.9	155.2	0	0	110.9	P504 T508 S509 V510	P504-E506 HydrophobicContact CB-CG 4.24Å; P504-E506 PolarHBondContact O-N 3.4Å; E506-T508 VanDerWaalsContact C-N 3.29Å; E506-T508 PolarHBondContact O-N 3.19Å; E506-S509 PolarHBondContact O-OG 3.01Å; E506-V510 PolarHBondContact O-N 2.76Å
507	I	48.7	Very low	50.9	Low	154 Å²	154	125.5 Å²	125.5	79%	0.79	65%	0.651	S	S	*	*	H	α-helix	trans	-67	-28.7	171	-60.3	179.6	0	0	0	111.7	C505	C505-I507 PolarHBondContact O-N 3.3Å
508	T	48.7	Very low	49.4	Very low	80 Å²	80	124.9 Å²	124.9	49%	0.491	66%	0.658	S	S	.	*	H	α-helix	trans	-93.6	-17.3	177.5	55.4	0	0	0	0	114.4	C505 E506	C505-T508 HydrophobicContact CB-CG2 4.43Å; C505-T508 WeakPolarHBondContact CB-OG1 3.24Å; C505-T508 PolarHBondContact O-N 3.01Å; C505-T508 PolarHBondContact O-OG1 3.29Å; C505-T508 VanDerWaalsContact O-OG1 3.1Å; E506-T508 VanDerWaalsContact C-N 3.29Å; E506-T508 PolarHBondContact O-N 3.19Å
509	S	47.4	Very low	47.6	Very low	66 Å²	66	127.2 Å²	127.2	46%	0.462	67%	0.666	S	S	.	*	H	α-helix	trans	-77.9	-40.1	174.5	70.3	0	0	0	0	112.3	C505 E506 A511 R512	C505-S509 PolarHBondContact O-N 3.38Å; E506-S509 PolarHBondContact O-OG 3.01Å; S509-A511 VanDerWaalsContact C-N 3.34Å; S509-A511 PolarHBondContact O-N 2.98Å; S509-R512 PolarHBondContact O-N 2.91Å
510	V	47.8	Very low	46	Very low	90 Å²	90	130.3 Å²	130.3	55%	0.545	68%	0.678	S	S	.	*	H	α-helix	trans	-67.4	-36.3	177.3	-179.2	0	0	0	0	111.2	E506 R512 Q513	E506-V510 PolarHBondContact O-N 2.76Å; V510-R512 PolarHBondContact O-N 3Å; V510-Q513 PolarHBondContact O-N 2.79Å
511	A	44.3	Very low	44.8	Very low	70 Å²	70	131.7 Å²	131.7	58%	0.579	70%	0.699	S	S	*	*	H	α-helix	trans	-67.3	-17.3	176	0	0	0	0	0	114	S509	S509-A511 VanDerWaalsContact C-N 3.34Å; S509-A511 PolarHBondContact O-N 2.98Å
512	R	46.7	Very low	43.7	Very low	215 Å²	215	126.8 Å²	126.8	81%	0.811	69%	0.694	S	S	*	*	H	α-helix	trans	-87.1	-18.6	175.8	-77.6	-177.9	178.1	171.2	1.5	113.9	S509 V510	S509-R512 PolarHBondContact O-N 2.91Å; V510-R512 PolarHBondContact O-N 3Å
513	Q	50.3	Low	42.8	Very low	177 Å²	177	131.6 Å²	131.6	83%	0.827	71%	0.707	S	S	*	*	H	α-helix	trans	-92.3	-8.5	-178.5	-70.1	-170.5	-2.2	0	0	114.5	V510	V510-Q513 PolarHBondContact O-N 2.79Å
514	Q	42.9	Very low	42.3	Very low	157 Å²	157	133.9 Å²	133.9	73%	0.734	72%	0.718	S	S	*	*			trans	-112	49.2	178.3	-64.5	-170.7	2.8	0	0	113.2	P516	Q514-P516 VanDerWaalsContact O-CD 3.25Å; Q514-P516 WeakPolarHBondContact O-CD 3.4Å
515	R	36.4	Very low	41.7	Very low	223 Å²	223	134.9 Å²	134.9	84%	0.842	73%	0.725	S	S	*	*			trans	-100.9	97.7	160.4	-81.3	-170.3	179.1	-165.2	-0.7	109.5
516	P	44.5	Very low	40.8	Very low	104 Å²	104	140.6 Å²	140.6	68%	0.675	74%	0.74	S	S	*	*			trans	-64.3	136	160	16.9	-12.5	0	0	0	108.7	Q514 V518	Q514-P516 VanDerWaalsContact O-CD 3.25Å; Q514-P516 WeakPolarHBondContact O-CD 3.4Å; P516-V518 PolarHBondContact O-N 3.43Å
517	I	40.6	Very low	40.4	Very low	161 Å²	161	140.2 Å²	140.2	83%	0.826	75%	0.747	S	S	*	*			trans	-61.2	98.1	172.8	-60.8	160.9	0	0	0	106.8	E519	I517-E519 HydrophobicContact CG2-CG 4.43Å
518	V	40	Very low	39.7	Very low	131 Å²	131	138.1 Å²	138.1	79%	0.794	75%	0.746	S	S	*	*			trans	-115	90.1	165.9	-176.3	0	0	0	0	106.6	P516	P516-V518 PolarHBondContact O-N 3.43Å
519	E	35.8	Very low	39	Very low	151 Å²	151	142.3 Å²	142.3	71%	0.706	76%	0.764	S	S	*	*			trans	-55.6	136.9	160.7	-83.7	178.5	148.8	0	0	110.6	I517	I517-E519 HydrophobicContact CG2-CG 4.43Å
520	L	30.6	Very low	38.2	Very low	151 Å²	151	150.7 Å²	150.7	79%	0.791	79%	0.786	S	S	*	*			trans	48.8	109.8	148	-74.4	114.4	0	0	0	118.5
521	C	34.1	Very low	37.8	Very low	134 Å²	134	157.6 Å²	157.6	91%	0.905	82%	0.817	S	S	*	*				175.2	135.6	118.1	-90.3	0	0	0	0	112.1
522	G	34.3	Very low	37.4	Very low	69 Å²	69	162 Å²	162	71%	0.711	83%	0.829	S	S	*	*			trans	96.3	99.7	143.3	0	0	0	0	0	117.3	I524	G522-I524 PolarHBondContact O-N 3.44Å
523	E	31.8	Very low	37	Very low	199 Å²	199	159.2 Å²	159.2	93%	0.93	83%	0.83	S	S	*	*			trans	-50.8	125.2	155.4	-62	174.1	152.4	0	0	110.5
524	I	39.6	Very low	36.2	Very low	159 Å²	159	158.2 Å²	158.2	82%	0.815	83%	0.831	S	S	*	*			trans	-127.7	123	161.1	-56.6	179.2	0	0	0	108.1	G522	G522-I524 PolarHBondContact O-N 3.44Å
525	P	33.3	Very low	35.8	Very low	112 Å²	112	158.3 Å²	158.3	73%	0.727	84%	0.836	S	S	*	*			trans	-79.6	149.2	-169.1	-1	17.4	0	0	0	113.5	T527	P525-T527 PolarHBondContact O-N 3.44Å
526	F	32.4	Very low	35.8	Very low	212 Å²	212	154.3 Å²	154.3	93%	0.93	84%	0.836	S	S	*	*			trans	-45.8	116.6	167.6	-81.5	-101	0	0	0	112.9
527	T	37.6	Very low	35.2	Very low	129 Å²	129	157.6 Å²	157.6	79%	0.791	85%	0.847	S	S	*	*			trans	-157.2	124.8	151.1	15	0	0	0	0	110.8	P525	P525-T527 PolarHBondContact O-N 3.44Å
528	S	34.2	Very low	34.8	Very low	111 Å²	111	157.4 Å²	157.4	78%	0.776	85%	0.848	S	S	*	*			trans	51.8	108.4	158.4	69	0	0	0	0	119.9
529	L	33.8	Very low	34.4	Very low	167 Å²	167	159.4 Å²	159.4	87%	0.874	85%	0.852	S	S	*	*			trans	-145.8	95.4	140.9	-102.6	145.1	0	0	0	108.6
530	R	31.7	Very low	34.3	Very low	243 Å²	243	160.1 Å²	160.1	92%	0.917	86%	0.864	S	S	*	*			trans	-66.1	128.7	150	-77.2	176.7	174.7	175	-2.2	106.7
531	I	38.2	Very low	34.6	Very low	235 Å²	235	160.9 Å²	160.9	100%	1.205	87%	0.871	S	S	*	*			trans	-152.1	0	133.4	-87.7	152.6	0	0	0	105.4

Retrieved 531 of 531 residues in 163.8 ms (Link to these results)

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