A0A077ZGG6_TRITR Loading...

Nup54 and DDE 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGG6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 516 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	32.7	Very low	34.2	Very low	166 Å²	166	135.6 Å²	135.6	82%	0.818	64%	0.639	S	S	*	*				0	-63.5	0	-73.9	177.7	-177.8	0	0	114.4	A3 I4 I5	M1-A3 PolarHBondContact O-N 2.96Å; M1-A3 VanDerWaalsContact O-N 3.08Å; M1-I4 WeakPolarHBondContact O-CA 3.45Å; M1-I4 WeakPolarHBondContact O-CB 3.3Å; M1-I4 PolarHBondContact O-N 3.39Å; M1-I5 PolarHBondContact O-N 3.27Å
2	R	30.2	Very low	34	Very low	205 Å²	205	127.7 Å²	127.7	77%	0.774	62%	0.621	S	S	*	*	H	α-helix	trans	-48.7	-40.2	-178.5	-74	-176.8	177.3	174	-0.9	114.5	R6	R2-R6 WeakPolarHBondContact O-CB 3.24Å; R2-R6 WeakPolarHBondContact O-CG 3.33Å; R2-R6 PolarHBondContact O-N 3.41Å
3	A	31.8	Very low	34.1	Very low	66 Å²	66	126.2 Å²	126.2	55%	0.545	62%	0.617	S	S	.	*	H	α-helix	trans	-67.1	-33.4	175.3	0	0	0	0	0	114.3	M1 R7	M1-A3 PolarHBondContact O-N 2.96Å; M1-A3 VanDerWaalsContact O-N 3.08Å; A3-R7 WeakPolarHBondContact O-CB 3.29Å; A3-R7 WeakPolarHBondContact O-CG 3.33Å; A3-R7 PolarHBondContact O-N 3.06Å
4	I	35.2	Very low	34.2	Very low	113 Å²	113	128.4 Å²	128.4	58%	0.579	62%	0.621	S	S	*	*	H	α-helix	trans	-70.3	-47.8	176.9	-59.3	173.7	0	0	0	109	M1 R6 R7 S8	M1-I4 WeakPolarHBondContact O-CA 3.45Å; M1-I4 WeakPolarHBondContact O-CB 3.3Å; M1-I4 PolarHBondContact O-N 3.39Å; I4-R6 VanDerWaalsContact C-N 3.35Å; I4-R6 PolarHBondContact O-N 2.67Å; I4-R7 PolarHBondContact O-N 3.14Å; I4-R7 VanDerWaalsContact O-N 3.08Å; I4-S8 PolarHBondContact O-N 3.15Å; I4-S8 PolarHBondContact O-OG 2.98Å
5	I	34.9	Very low	34	Very low	99 Å²	99	127.8 Å²	127.8	51%	0.508	62%	0.621	S	S	.	*	H	α-helix	trans	-58.1	-46.1	176.2	-61.4	169.8	0	0	0	110.6	M1 R7 S8 Y9	M1-I5 PolarHBondContact O-N 3.27Å; I5-R7 PolarHBondContact O-N 2.8Å; I5-S8 PolarHBondContact O-N 2.76Å; I5-Y9 HydrophobicContact CG2-CD2 4.18Å; I5-Y9 HydrophobicContact CG2-CE2 4.37Å; I5-Y9 PolarHBondContact O-N 3.47Å
6	R	37	Very low	34.1	Very low	194 Å²	194	126.8 Å²	126.8	73%	0.732	62%	0.615	S	S	*	*	H	α-helix	trans	-63.3	-36	174.6	-77.3	-178.9	174.2	171.8	-3	113.5	R2 I4 K10	R2-R6 WeakPolarHBondContact O-CB 3.24Å; R2-R6 WeakPolarHBondContact O-CG 3.33Å; R2-R6 PolarHBondContact O-N 3.41Å; I4-R6 VanDerWaalsContact C-N 3.35Å; I4-R6 PolarHBondContact O-N 2.67Å; R6-K10 PolarHBondContact O-N 3.4Å
7	R	37.2	Very low	34.3	Very low	206 Å²	206	124.4 Å²	124.4	78%	0.777	61%	0.61	S	S	*	*	H	α-helix	trans	-68.2	-42.5	174.7	-80.6	-179.2	179.5	-175.2	0.5	111.6	A3 I4 I5 K10 A11	A3-R7 WeakPolarHBondContact O-CB 3.29Å; A3-R7 WeakPolarHBondContact O-CG 3.33Å; A3-R7 PolarHBondContact O-N 3.06Å; I4-R7 PolarHBondContact O-N 3.14Å; I4-R7 VanDerWaalsContact O-N 3.08Å; I5-R7 PolarHBondContact O-N 2.8Å; R7-K10 PolarHBondContact O-N 3.39Å; R7-A11 WeakPolarHBondContact O-CB 3.39Å; R7-A11 PolarHBondContact O-N 2.95Å
8	S	34.8	Very low	34	Very low	77 Å²	77	129 Å²	129	54%	0.538	62%	0.62	S	S	.	*	H	α-helix	trans	-61.8	-43.9	175.3	-59.4	0	0	0	0	112.3	I4 I5 A11 G12	I4-S8 PolarHBondContact O-N 3.15Å; I4-S8 PolarHBondContact O-OG 2.98Å; I5-S8 PolarHBondContact O-N 2.76Å; S8-A11 PolarHBondContact O-N 3.06Å; S8-G12 PolarHBondContact O-N 2.98Å
9	Y	33.9	Very low	34	Very low	142 Å²	142	129.1 Å²	129.1	56%	0.557	62%	0.619	S	S	*	*	H	α-helix	trans	-62	-45.9	173.7	-95.6	-91.3	0	0	0	112.5	I5 A11 G12 L13	I5-Y9 HydrophobicContact CG2-CD2 4.18Å; I5-Y9 HydrophobicContact CG2-CE2 4.37Å; I5-Y9 PolarHBondContact O-N 3.47Å; Y9-A11 VanDerWaalsContact C-N 3.27Å; Y9-A11 PolarHBondContact O-N 3.15Å; Y9-G12 PolarHBondContact O-N 3.19Å; Y9-L13 PolarHBondContact O-N 3.07Å; Y9-L13 VanDerWaalsContact O-N 3.15Å
10	K	36.2	Very low	34.2	Very low	165 Å²	165	129.8 Å²	129.8	72%	0.717	62%	0.62	S	S	*	*	H	α-helix	trans	-64.9	-27.8	175.9	-95.6	-170.5	172.7	-175.9	0	113.6	R6 R7 K14	R6-K10 PolarHBondContact O-N 3.4Å; R7-K10 PolarHBondContact O-N 3.39Å; K10-K14 PolarHBondContact O-N 2.85Å
11	A	32.4	Very low	34.4	Very low	59 Å²	59	131.2 Å²	131.2	49%	0.488	62%	0.623	S	S	.	*	H	α-helix	trans	-71.8	-43	174.5	0	0	0	0	0	111.7	R7 S8 Y9 K14 L15	R7-A11 WeakPolarHBondContact O-CB 3.39Å; R7-A11 PolarHBondContact O-N 2.95Å; S8-A11 PolarHBondContact O-N 3.06Å; Y9-A11 VanDerWaalsContact C-N 3.27Å; Y9-A11 PolarHBondContact O-N 3.15Å; A11-K14 PolarHBondContact O-N 2.66Å; A11-L15 PolarHBondContact O-N 3.14Å
12	G	31.9	Very low	34.4	Very low	40 Å²	40	126.9 Å²	126.9	41%	0.412	61%	0.614	S	S	.	*	H	α-helix	trans	-59	-50.2	175	0	0	0	0	0	112.8	S8 Y9 K14 L15 E16	S8-G12 PolarHBondContact O-N 2.98Å; Y9-G12 PolarHBondContact O-N 3.19Å; G12-K14 VanDerWaalsContact C-N 3.25Å; G12-K14 PolarHBondContact O-N 3.21Å; G12-L15 WeakPolarHBondContact O-CB 3.3Å; G12-L15 PolarHBondContact O-N 3.23Å; G12-E16 PolarHBondContact O-N 2.92Å
13	L	35.4	Very low	34.8	Very low	109 Å²	109	122.6 Å²	122.6	57%	0.571	61%	0.611	S	S	*	*	H	α-helix	trans	-59.6	-30.5	177	-88.2	144.2	0	0	0	113.8	Y9 T17	Y9-L13 PolarHBondContact O-N 3.07Å; Y9-L13 VanDerWaalsContact O-N 3.15Å; L13-T17 PolarHBondContact O-N 3.46Å; L13-T17 PolarHBondContact O-OG1 2.91Å
14	K	35.1	Very low	34.9	Very low	157 Å²	157	127 Å²	127	68%	0.683	62%	0.622	S	S	*	*	H	α-helix	trans	-74.2	-26.2	173.6	-86.5	-168.5	171	-168.7	0	113.4	K10 A11 G12 T17 W18	K10-K14 PolarHBondContact O-N 2.85Å; A11-K14 PolarHBondContact O-N 2.66Å; G12-K14 VanDerWaalsContact C-N 3.25Å; G12-K14 PolarHBondContact O-N 3.21Å; K14-T17 WeakPolarHBondContact CA-OG1 3.36Å; K14-T17 PolarHBondContact O-OG1 3.43Å; K14-W18 PolarHBondContact O-N 3.27Å
15	L	32	Very low	34.8	Very low	119 Å²	119	129.8 Å²	129.8	62%	0.623	63%	0.632	S	S	*	*	H	α-helix	trans	-74.4	-42.5	177.8	-139.5	79.7	0	0	0	111.2	A11 G12 T17 W18 Q19	A11-L15 PolarHBondContact O-N 3.14Å; G12-L15 WeakPolarHBondContact O-CB 3.3Å; G12-L15 PolarHBondContact O-N 3.23Å; L15-T17 VanDerWaalsContact C-N 3.34Å; L15-T17 PolarHBondContact O-N 2.96Å; L15-W18 PolarHBondContact O-N 3.44Å; L15-Q19 PolarHBondContact O-N 2.83Å
16	E	34.2	Very low	34.7	Very low	111 Å²	111	136.7 Å²	136.7	52%	0.519	65%	0.652	S	S	.	*	H	α-helix	trans	-62.8	-38.2	176.2	-67.1	-169.5	159.6	0	0	112.9	G12 W18 Q19 K20	G12-E16 PolarHBondContact O-N 2.92Å; E16-W18 VanDerWaalsContact C-N 3.32Å; E16-Q19 PolarHBondContact O-N 3.38Å; E16-K20 WeakPolarHBondContact O-CB 3.38Å; E16-K20 WeakPolarHBondContact O-CG 3.25Å; E16-K20 PolarHBondContact O-N 3.17Å
17	T	37.6	Very low	34.3	Very low	87 Å²	87	139.2 Å²	139.2	53%	0.534	66%	0.661	S	S	.	*	H	α-helix	trans	-70.2	-27.8	176.2	31.6	0	0	0	0	112.8	L13 K14 L15 K21	L13-T17 PolarHBondContact O-N 3.46Å; L13-T17 PolarHBondContact O-OG1 2.91Å; K14-T17 WeakPolarHBondContact CA-OG1 3.36Å; K14-T17 PolarHBondContact O-OG1 3.43Å; L15-T17 VanDerWaalsContact C-N 3.34Å; L15-T17 PolarHBondContact O-N 2.96Å; T17-K21 PolarHBondContact O-N 2.8Å
18	W	29.4	Very low	33.9	Very low	207 Å²	207	135.6 Å²	135.6	78%	0.784	66%	0.664	S	S	*	*	H	α-helix	trans	-73.4	-43.5	169.6	-100.4	82.3	0	0	0	112.5	K14 L15 E16 K20 K21 A22	K14-W18 PolarHBondContact O-N 3.27Å; L15-W18 PolarHBondContact O-N 3.44Å; E16-W18 VanDerWaalsContact C-N 3.32Å; W18-K20 PolarHBondContact O-N 3.24Å; W18-K21 PolarHBondContact O-N 2.88Å; W18-A22 PolarHBondContact O-N 3.34Å
19	Q	34.4	Very low	33.8	Very low	130 Å²	130	135.6 Å²	135.6	61%	0.607	68%	0.677	S	S	*	*	H	α-helix	trans	-63.3	-41.9	177.2	-76.7	-179.8	-36.9	0	0	112.3	L15 E16 K21 A22 T23	L15-Q19 PolarHBondContact O-N 2.83Å; E16-Q19 PolarHBondContact O-N 3.38Å; Q19-K21 VanDerWaalsContact C-N 3.31Å; Q19-K21 PolarHBondContact O-N 3.47Å; Q19-A22 PolarHBondContact O-N 3.46Å; Q19-T23 PolarHBondContact O-N 3.01Å; Q19-T23 PolarHBondContact O-OG1 3.23Å
20	K	37.9	Very low	33.5	Very low	144 Å²	144	134.3 Å²	134.3	63%	0.626	69%	0.688	S	S	*	*	H	α-helix	trans	-62.7	-33.7	174.8	-75.7	176.8	177.9	171.9	0	113.1	E16 W18 T23	E16-K20 WeakPolarHBondContact O-CB 3.38Å; E16-K20 WeakPolarHBondContact O-CG 3.25Å; E16-K20 PolarHBondContact O-N 3.17Å; W18-K20 PolarHBondContact O-N 3.24Å; K20-T23 PolarHBondContact O-OG1 2.69Å; K20-T23 VanDerWaalsContact O-OG1 3.08Å
21	K	38.4	Very low	33.3	Very low	159 Å²	159	134.7 Å²	134.7	69%	0.691	70%	0.697	S	S	*	*	H	α-helix	trans	-73.1	-37.8	173	-87	-171.9	170	-173.1	0	112.9	T17 W18 Q19 T23 M24	T17-K21 PolarHBondContact O-N 2.8Å; W18-K21 PolarHBondContact O-N 2.88Å; Q19-K21 VanDerWaalsContact C-N 3.31Å; Q19-K21 PolarHBondContact O-N 3.47Å; K21-T23 VanDerWaalsContact C-N 3.27Å; K21-T23 PolarHBondContact O-N 3.3Å; K21-M24 PolarHBondContact O-N 3.42Å
22	A	33.4	Very low	33.2	Very low	75 Å²	75	136.4 Å²	136.4	62%	0.62	71%	0.711	S	S	*	*	H	α-helix	trans	-64	-30.3	178.4	0	0	0	0	0	113.1	W18 Q19	W18-A22 PolarHBondContact O-N 3.34Å; Q19-A22 PolarHBondContact O-N 3.46Å
23	T	38.6	Very low	33.2	Very low	116 Å²	116	141.6 Å²	141.6	71%	0.712	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-12.9	176	42	0	0	0	0	115	Q19 K20 K21	Q19-T23 PolarHBondContact O-N 3.01Å; Q19-T23 PolarHBondContact O-OG1 3.23Å; K20-T23 PolarHBondContact O-OG1 2.69Å; K20-T23 VanDerWaalsContact O-OG1 3.08Å; K21-T23 VanDerWaalsContact C-N 3.27Å; K21-T23 PolarHBondContact O-N 3.3Å
24	M	32.8	Very low	33.1	Very low	158 Å²	158	142.4 Å²	142.4	78%	0.778	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	14.9	-178.5	-79.5	-174.8	156	0	0	114.2	K21	K21-M24 PolarHBondContact O-N 3.42Å
25	H	33	Very low	32.9	Very low	172 Å²	172	143.1 Å²	143.1	80%	0.796	75%	0.746	S	S	*	*			trans	-122.2	47.4	-177.5	-80.1	9.1	0	0	0	113.8
26	R	32.2	Very low	33	Very low	244 Å²	244	145.6 Å²	145.6	92%	0.921	76%	0.76	S	S	*	*			trans	-117.5	122.4	154.8	-76.4	-172.7	173.3	-173.4	-2.2	109
27	R	29.4	Very low	32.7	Very low	246 Å²	246	143.4 Å²	143.4	93%	0.928	77%	0.767	S	S	*	*			trans	-74.7	158.2	-175.5	-84.4	-171.7	-178.7	-169.9	1.8	112.1
28	P	29.1	Very low	32.6	Very low	130 Å²	130	147.2 Å²	147.2	84%	0.844	78%	0.784	S	S	*	*			trans	-81.4	147.9	-169.9	33.2	-36	0	0	0	113.1
29	G	31.9	Very low	32.6	Very low	78 Å²	78	148.2 Å²	148.2	80%	0.804	79%	0.788	S	S	*	*			trans	-123.8	125.3	167.3	0	0	0	0	0	109.3
30	S	28.2	Very low	32.6	Very low	114 Å²	114	149 Å²	149	80%	0.797	80%	0.795	S	S	*	*			trans	-75.7	149.6	-173.8	49.2	0	0	0	0	114.4
31	I	31	Very low	32.4	Very low	174 Å²	174	150.7 Å²	150.7	89%	0.892	80%	0.803	S	S	*	*				-156.5	143.6	129.8	-92.5	140.7	0	0	0	107
32	A	30.5	Very low	32	Very low	95 Å²	95	152.3 Å²	152.3	79%	0.785	81%	0.813	S	S	*	*			trans	-97.2	166.7	-171	0	0	0	0	0	113.5
33	L	32.3	Very low	32	Very low	148 Å²	148	155.1 Å²	155.1	78%	0.775	82%	0.822	S	S	*	*			trans	-68.8	177.3	176.6	-62.6	161.3	0	0	0	111.9
34	P	33.2	Very low	31.5	Very low	127 Å²	127	160.3 Å²	160.3	83%	0.825	83%	0.829	S	S	*	*				-128.9	158.6	91.4	36.2	-28.4	0	0	0	114.5
35	E	30.5	Very low	31.5	Very low	172 Å²	172	163.7 Å²	163.7	80%	0.804	83%	0.833	S	S	*	*			trans	-72.6	142	169.3	-54.4	175.5	143.3	0	0	109.4
36	D	34.1	Very low	31.3	Very low	170 Å²	170	162.9 Å²	162.9	91%	0.909	84%	0.835	S	S	*	*			trans	-146.3	138.8	141.6	-136.7	-21.4	0	0	0	108.9
37	G	29.6	Very low	31.2	Very low	65 Å²	65	155.2 Å²	155.2	67%	0.67	82%	0.823	S	S	*	*			trans	-101.1	146.2	-172.7	0	0	0	0	0	111.1
38	D	35.2	Very low	31.4	Very low	168 Å²	168	151.9 Å²	151.9	90%	0.898	82%	0.818	S	S	*	*			trans	-141.8	139.7	148.4	-132.9	-23.2	0	0	0	113.6
39	R	29.7	Very low	31.5	Very low	227 Å²	227	154.7 Å²	154.7	86%	0.857	82%	0.82	S	S	*	*			trans	-74.1	151.4	173.5	-73.5	162.3	148.8	172.2	-7.2	108.3
40	L	33.9	Very low	31.5	Very low	147 Å²	147	158.8 Å²	158.8	77%	0.77	82%	0.818	S	S	*	*				-171.5	106.7	129.2	-100.4	160	0	0	0	113.2
41	K	34.1	Very low	31.7	Very low	179 Å²	179	156.7 Å²	156.7	78%	0.778	81%	0.808	S	S	*	*			trans	50.1	99.1	140.3	-65.8	174.5	-169.8	173.1	0	119.9
42	E	29	Very low	31.8	Very low	193 Å²	193	154.4 Å²	154.4	90%	0.902	79%	0.793	S	S	*	*			trans	-33.9	125.9	139.5	179.2	177.3	-133.2	0	0	114.2
43	T	33.6	Very low	32	Very low	134 Å²	134	154.8 Å²	154.8	82%	0.822	78%	0.778	S	S	*	*			trans	-147.1	111.1	157.9	27.1	0	0	0	0	111.9
44	R	28.1	Very low	31.9	Very low	225 Å²	225	152.3 Å²	152.3	85%	0.849	77%	0.77	S	S	*	*			trans	-9	132.4	159.5	-76.8	170.6	158.6	168.1	-6.8	117.6
45	R	33.6	Very low	31.9	Very low	230 Å²	230	151.5 Å²	151.5	87%	0.868	76%	0.762	S	S	*	*				-154.9	61.8	129.9	-124.2	-175.8	-66.6	175.3	1	113.4	A47	R45-A47 PolarHBondContact O-N 2.6Å; R45-A47 VanDerWaalsContact O-N 3.15Å
46	D	27.7	Very low	32	Very low	155 Å²	155	151.7 Å²	151.7	83%	0.829	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	102.1	164	-45.8	-77.1	0	0	0	109.3
47	A	30.6	Very low	31.9	Very low	82 Å²	82	149.8 Å²	149.8	68%	0.678	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-159.3	-37.3	176.1	0	0	0	0	0	116.3	R45	R45-A47 PolarHBondContact O-N 2.6Å; R45-A47 VanDerWaalsContact O-N 3.15Å
48	E	32.7	Very low	32	Very low	177 Å²	177	151.7 Å²	151.7	83%	0.827	74%	0.738	S	S	*	*	S	Bend	trans	-106.1	-7.5	-161.4	-81	176.2	134.4	0	0	116.8	H50	E48-H50 PolarHBondContact O-N 3.37Å
49	E	31.8	Very low	31.8	Very low	189 Å²	189	151.7 Å²	151.7	88%	0.883	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	4.3	-176.5	-147.8	174.8	179.6	0	0	114.5
50	H	32	Very low	31.8	Very low	164 Å²	164	149.6 Å²	149.6	76%	0.759	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	4.5	-176.1	-147.9	-62.6	0	0	0	114.4	E48	E48-H50 PolarHBondContact O-N 3.37Å
51	A	32.2	Very low	31.6	Very low	70 Å²	70	149.4 Å²	149.4	58%	0.579	73%	0.725	S	S	*	*	S	Bend	trans	-100.1	-33.7	-178.3	0	0	0	0	0	114.4
52	E	34.5	Very low	31.3	Very low	125 Å²	125	145.5 Å²	145.5	58%	0.584	72%	0.717	S	S	*	*	H	α-helix	trans	-81.2	-24.8	-176.6	-69.5	-154.8	153.8	0	0	115	T54 T55 R56	E52-T54 PolarHBondContact O-N 3.42Å; E52-T55 PolarHBondContact O-N 3.2Å; E52-R56 IonicContact OE2-CZ 2.62Å; E52-R56 IonicContact OE2-NH1 2.63Å; E52-R56 PolarHBondContact OE2-NH1 3.35Å; E52-R56 IonicContact OE2-NH2 3.71Å
53	E	33.4	Very low	31.2	Very low	103 Å²	103	145 Å²	145	48%	0.481	72%	0.72	S	S	.	*	H	α-helix	trans	-64.6	-26.1	178.9	-176.2	64.3	-158	0	0	112	K57	E53-K57 WeakPolarHBondContact OE1-CE 3.28Å; E53-K57 IonicContact OE1-NZ 2.61Å; E53-K57 PolarHBondContact OE1-NZ 2.94Å
54	T	31.4	Very low	30.9	Very low	96 Å²	96	147 Å²	147	59%	0.589	72%	0.724	S	S	*	*	H	α-helix	trans	-75.7	-31.7	179.5	-49.4	0	0	0	0	112	E52 T58	E52-T54 PolarHBondContact O-N 3.42Å; T54-T58 PolarHBondContact O-OG1 3.48Å
55	T	31.4	Very low	30.9	Very low	110 Å²	110	141.2 Å²	141.2	68%	0.675	73%	0.725	S	S	*	*	H	α-helix	trans	-83.1	-23	-174.8	-33.6	0	0	0	0	113	E52	E52-T55 PolarHBondContact O-N 3.2Å
56	R	32.6	Very low	30.4	Very low	176 Å²	176	133.9 Å²	133.9	66%	0.664	72%	0.721	S	S	*	*	S	Bend	trans	-80.6	-14.2	178.9	-71.9	-177.4	172.1	101.8	1.3	114.2	E52	E52-R56 IonicContact OE2-CZ 2.62Å; E52-R56 IonicContact OE2-NH1 2.63Å; E52-R56 PolarHBondContact OE2-NH1 3.35Å; E52-R56 IonicContact OE2-NH2 3.71Å
57	K	33.7	Very low	30.5	Very low	130 Å²	130	132.1 Å²	132.1	57%	0.565	72%	0.721	S	S	*	*	S	Bend	trans	-89.7	-12.3	-177	-79.8	164	170.4	153.1	0	114.7	E53 L59	E53-K57 WeakPolarHBondContact OE1-CE 3.28Å; E53-K57 IonicContact OE1-NZ 2.61Å; E53-K57 PolarHBondContact OE1-NZ 2.94Å; K57-L59 PolarHBondContact O-N 3.4Å
58	T	30.4	Very low	30.1	Very low	106 Å²	106	139.7 Å²	139.7	65%	0.65	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	5.7	-170.1	-26.4	0	0	0	0	115.3	T54 R60	T54-T58 PolarHBondContact O-OG1 3.48Å; T58-R60 PolarHBondContact O-N 3.39Å
59	L	31.1	Very low	30	Very low	168 Å²	168	141.2 Å²	141.2	88%	0.88	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	2.5	173.8	-88.4	163.5	0	0	0	113.9	K57	K57-L59 PolarHBondContact O-N 3.4Å
60	R	30.5	Very low	29.7	Very low	182 Å²	182	140.3 Å²	140.3	69%	0.687	73%	0.732	S	S	*	*	S	Bend	trans	-94.1	112.4	171.7	-65.3	-169.4	178.6	-149.6	1.1	110.7	T58	T58-R60 PolarHBondContact O-N 3.39Å
61	H	29.3	Very low	29.4	Very low	144 Å²	144	142.6 Å²	142.6	67%	0.667	74%	0.74	S	S	*	*	S	Bend	trans	71.8	141.3	177.3	-94.1	-103	0	0	0	118.9
62	P	27.5	Very low	29.1	Very low	97 Å²	97	142.7 Å²	142.7	63%	0.63	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-101	148.4	-169.1	38.3	-32	0	0	0	113.9
63	L	28.1	Very low	28.7	Very low	181 Å²	181	147.6 Å²	147.6	95%	0.948	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-94.1	134.5	169	-73.4	174.7	0	0	0	112.1
64	L	25.8	Very low	28.3	Very low	176 Å²	176	150.7 Å²	150.7	92%	0.921	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-82.8	119.5	169.1	-69.2	161.4	0	0	0	110
65	A	28.2	Very low	28.1	Very low	104 Å²	104	149.1 Å²	149.1	86%	0.86	78%	0.78	S	S	*	*			trans	-173.5	125.1	149.2	0	0	0	0	0	109.3
66	G	24.4	Very low	27.8	Very low	76 Å²	76	150.4 Å²	150.4	78%	0.784	79%	0.788	S	S	*	*			trans	-99.4	154.2	-178.2	0	0	0	0	0	113.8
67	S	28.5	Very low	27.7	Very low	119 Å²	119	153.8 Å²	153.8	83%	0.832	80%	0.801	S	S	*	*			trans	-170.3	92.7	144.5	35	0	0	0	0	113.9
68	R	22.8	Very low	27.2	Very low	241 Å²	241	154.4 Å²	154.4	91%	0.909	82%	0.815	S	S	*	*				25.3	108.4	129.1	-162.2	-174.5	-152.6	-176	7.1	118.5
69	K	29.9	Very low	27.1	Very low	208 Å²	208	153.7 Å²	153.7	90%	0.904	82%	0.82	S	S	*	*				-165.4	162.4	128.5	-108.3	167.4	-175.1	-179.5	0	113.1
70	Q	25.4	Very low	27	Very low	170 Å²	170	151.4 Å²	151.4	79%	0.794	81%	0.813	S	S	*	*			trans	-101.2	-169.7	-162	-63.5	168.3	-61.3	0	0	113.8
71	F	25.7	Very low	26.8	Very low	212 Å²	212	149.8 Å²	149.8	93%	0.93	82%	0.819	S	S	*	*			trans	87	131.8	176.7	-59.2	-83.5	0	0	0	115.1
72	G	26.7	Very low	26.8	Very low	72 Å²	72	150.3 Å²	150.3	74%	0.742	83%	0.826	S	S	*	*			cis	178.7	165.2	-6.1	0	0	0	0	0	113.2
73	R	26.3	Very low	26.7	Very low	229 Å²	229	153.8 Å²	153.8	86%	0.864	83%	0.833	S	S	*	*			trans	-14.2	147.6	160.7	-74.9	179.9	179.5	-164.9	0.6	116.6
74	M	25	Very low	26.6	Very low	168 Å²	168	155.7 Å²	155.7	83%	0.828	83%	0.829	S	S	*	*			cis	-166.7	179.5	22.4	-105.9	158.9	-33.1	0	0	108.4
75	G	27.7	Very low	26.7	Very low	63 Å²	63	154.4 Å²	154.4	65%	0.649	82%	0.818	S	S	*	*			cis	162.1	135.4	-4.9	0	0	0	0	0	113.5
76	T	25	Very low	26.8	Very low	137 Å²	137	155.9 Å²	155.9	84%	0.84	81%	0.807	S	S	*	*			trans	22.9	132.1	165	60.9	0	0	0	0	122.7
77	R	28.8	Very low	27.1	Very low	247 Å²	247	161.5 Å²	161.5	93%	0.932	81%	0.81	S	S	*	*				-173.5	148.7	109.5	-103.8	173	177.3	-171.8	-2.2	114.9
78	T	24	Very low	27.1	Very low	142 Å²	142	161.8 Å²	161.8	87%	0.871	80%	0.802	S	S	*	*			trans	-96.8	158	176.8	16.9	0	0	0	0	112.3
79	A	28.4	Very low	27.4	Very low	91 Å²	91	162.2 Å²	162.2	75%	0.752	80%	0.804	S	S	*	*			trans	-175	124.4	140.8	0	0	0	0	0	115.2
80	T	30	Very low	27.3	Very low	120 Å²	120	161.1 Å²	161.1	74%	0.736	80%	0.802	S	S	*	*			trans	47.9	116.4	141.5	51	0	0	0	0	124.4
81	D	24.9	Very low	27.4	Very low	149 Å²	149	160.2 Å²	160.2	80%	0.797	80%	0.797	S	S	*	*				46.8	128.8	116.6	-60.9	-43	0	0	0	123.3
82	L	30.2	Very low	27.5	Very low	155 Å²	155	158 Å²	158	81%	0.812	79%	0.787	S	S	*	*			trans	-152.9	114.6	141	-111.4	166	0	0	0	110.4	Y84	L82-Y84 HydrophobicContact CD2-CE2 4.24Å
83	Q	24.7	Very low	27.4	Very low	170 Å²	170	159.5 Å²	159.5	79%	0.794	79%	0.787	S	S	*	*			trans	-88.8	141.6	171.1	-90.7	-178.2	-24.8	0	0	111
84	Y	26.6	Very low	27.6	Very low	220 Å²	220	154.2 Å²	154.2	86%	0.863	79%	0.785	S	S	*	*			trans	-128.9	138	162.6	-93.5	-88.5	0	0	0	110	L82	L82-Y84 HydrophobicContact CD2-CE2 4.24Å
85	H	27.9	Very low	27.6	Very low	149 Å²	149	153.4 Å²	153.4	69%	0.69	78%	0.784	S	S	*	*			trans	-125.1	147.3	-168.9	-131.1	-68.1	0	0	0	111.6
86	H	29	Very low	27.7	Very low	136 Å²	136	159.1 Å²	159.1	63%	0.63	79%	0.794	S	S	*	*			trans	65.8	137.9	163.3	-85.6	-65	0	0	0	117.9	D88	H86-D88 IonicContact ND1-OD2 2.88Å
87	K	31.3	Very low	27.8	Very low	193 Å²	193	159.9 Å²	159.9	84%	0.839	79%	0.792	S	S	*	*			cis	-160.3	167.3	44.9	-127.3	154.2	-165.8	179	0	113.1
88	D	28.2	Very low	27.6	Very low	126 Å²	126	153.6 Å²	153.6	67%	0.674	79%	0.785	S	S	*	*			trans	-82.3	154.4	-159.7	-45.7	-94.1	0	0	0	116.3	H86	H86-D88 IonicContact ND1-OD2 2.88Å
89	R	29.2	Very low	27.9	Very low	249 Å²	249	150.2 Å²	150.2	94%	0.94	77%	0.766	S	S	*	*			trans	-161.9	141	136.6	-106.7	167.6	-150.7	-160.7	5.8	111.8
90	H	27.7	Very low	27.7	Very low	186 Å²	186	150.7 Å²	150.7	86%	0.861	76%	0.755	S	S	*	*			trans	-68.7	140.6	-177.5	-64.5	-103.2	0	0	0	113.2
91	E	28.5	Very low	27.5	Very low	150 Å²	150	152.9 Å²	152.9	70%	0.701	76%	0.757	S	S	*	*				-169.3	131.7	113	-103.7	-166.8	125.3	0	0	114.4
92	K	28.3	Very low	27.6	Very low	165 Å²	165	148.7 Å²	148.7	72%	0.717	74%	0.738	S	S	*	*			trans	48.3	97.3	146.7	-67	165.7	-176.9	154.6	0	120.9
93	S	24.7	Very low	27.2	Very low	105 Å²	105	146.6 Å²	146.6	73%	0.734	73%	0.732	S	S	*	*				38.3	118.8	122.2	63.4	0	0	0	0	120.6
94	S	29.5	Very low	27.2	Very low	117 Å²	117	142.4 Å²	142.4	82%	0.818	71%	0.714	S	S	*	*			trans	-161.2	115.1	130.2	-80	0	0	0	0	110.6	E96	S94-E96 PolarHBondContact O-N 2.82Å
95	D	25.7	Very low	27	Very low	151 Å²	151	137.2 Å²	137.2	81%	0.807	70%	0.7	S	S	*	*			trans	-78.2	110.7	171.8	-60.1	-65.2	0	0	0	110.3	L97	D95-L97 HydrophobicContact CB-CD1 4.34Å
96	E	29	Very low	26.8	Very low	184 Å²	184	135.7 Å²	135.7	86%	0.86	70%	0.697	S	S	*	*			trans	-101.9	74.9	167	-76.4	-158.4	133.8	0	0	111.6	S94 S98	S94-E96 PolarHBondContact O-N 2.82Å; E96-S98 PolarHBondContact O-N 3.46Å
97	L	26.6	Very low	26.5	Very low	153 Å²	153	137.8 Å²	137.8	80%	0.801	70%	0.699	S	S	*	*			trans	-66.3	113.8	159.6	-83.7	102.4	0	0	0	109.8	D95 P99	D95-L97 HydrophobicContact CB-CD1 4.34Å; L97-P99 VanDerWaalsContact O-CD 3.3Å; L97-P99 WeakPolarHBondContact O-CD 3.36Å
98	S	26	Very low	26.1	Very low	114 Å²	114	133.7 Å²	133.7	80%	0.797	69%	0.686	S	S	*	*			trans	-85.9	113.8	168.1	-72	0	0	0	0	111.1	E96	E96-S98 PolarHBondContact O-N 3.46Å
99	P	29	Very low	25.9	Very low	71 Å²	71	135.4 Å²	135.4	46%	0.461	68%	0.684	S	S	.	*			trans	-107.7	104.4	177.8	21.7	-1.1	0	0	0	112.1	L97	L97-P99 VanDerWaalsContact O-CD 3.3Å; L97-P99 WeakPolarHBondContact O-CD 3.36Å
100	L	24.4	Very low	25.6	Very low	101 Å²	101	134.1 Å²	134.1	53%	0.529	68%	0.679	S	S	.	*				37.6	118	129	-63.1	161.1	0	0	0	118.2	S225	L100-S225 VanDerWaalsContact CB-OG 3.29Å; L100-S225 WeakPolarHBondContact CB-OG 3.24Å
101	Q	27.4	Very low	25.4	Very low	167 Å²	167	129.9 Å²	129.9	78%	0.78	66%	0.663	S	S	*	*			trans	-83.5	138.7	167.1	-60.6	-160.2	17.1	0	0	111.4
102	P	25.7	Very low	25.5	Very low	61 Å²	61	127.6 Å²	127.6	40%	0.396	65%	0.649	S	S	.	*			trans	-108	120.4	173.7	19	0.3	0	0	0	112.9	Q222	P102-Q222 PolarHBondContact O-NE2 2.76Å; P102-Q222 VanDerWaalsContact O-NE2 3.11Å
103	T	22.8	Very low	25.3	Very low	111 Å²	111	119.9 Å²	119.9	68%	0.681	62%	0.616	S	S	*	*			trans	-54.5	139	168.1	-50.5	0	0	0	0	112
104	L	23.5	Very low	25.5	Very low	81 Å²	81	117.1 Å²	117.1	42%	0.424	59%	0.59	S	S	.	*			trans	-94.6	111	176.9	-179.4	74.7	0	0	0	110.7	L106 Q222	L104-L106 HydrophobicContact CD2-CD1 4.29Å; L104-L106 HydrophobicContact CD2-CG 4.44Å; L104-L106 HydrophobicContact CG-CG 4.37Å; L104-Q222 VanDerWaalsContact CD1-OE1 3.31Å
105	I	23	Very low	25.4	Very low	111 Å²	111	111.9 Å²	111.9	57%	0.569	55%	0.553	S	S	*	*			trans	-108.4	120.9	168.7	-67.1	165.1	0	0	0	109
106	L	22.9	Very low	25.6	Very low	117 Å²	117	105.5 Å²	105.5	61%	0.613	52%	0.52	S	S	*	.			trans	-100.3	112.4	176.3	-75.6	164	0	0	0	110.4	L104 W114	L104-L106 HydrophobicContact CD2-CD1 4.29Å; L104-L106 HydrophobicContact CD2-CG 4.44Å; L104-L106 HydrophobicContact CG-CG 4.37Å; L106-W114 HydrophobicContact CD2-CE3 4.33Å; L106-W114 HydrophobicContact CD2-CH2 4.45Å; L106-W114 HydrophobicContact CD2-CZ3 4.16Å
107	R	23.1	Very low	25.6	Very low	180 Å²	180	99.2 Å²	99.2	68%	0.679	49%	0.489	S	S	*	.			trans	-129.2	131.1	161	-80.7	-174.2	175	175.3	-1.3	109.2	Y109	R107-Y109 HydrophobicContact CB-CE2 4.41Å
108	L	23.5	Very low	25.7	Very low	108 Å²	108	95 Å²	95	57%	0.565	46%	0.464	S	S	*	.			trans	-102.4	129.6	-175.4	-68.7	169.2	0	0	0	110.8
109	Y	22.9	Very low	25.9	Very low	161 Å²	161	93.9 Å²	93.9	63%	0.631	45%	0.452	S	S	*	.			trans	-133.4	155.7	166	-67.8	-85.2	0	0	0	109.2	R107	R107-Y109 HydrophobicContact CB-CE2 4.41Å
110	R	23.8	Very low	26.2	Very low	222 Å²	222	94.3 Å²	94.3	84%	0.838	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	145.7	-161.7	-74.9	175.5	165.9	170.2	-6.1	115.5	Y112	R110-Y112 WeakPolarHBondContact O-CD1 3.18Å; R110-Y112 VanDerWaalsContact O-CD2 3.28Å; R110-Y112 WeakPolarHBondContact O-CD2 3.47Å; R110-Y112 WeakPolarHBondContact O-CE1 3.33Å; R110-Y112 VanDerWaalsContact O-CE2 3.25Å; R110-Y112 WeakPolarHBondContact O-CE2 3.08Å; R110-Y112 VanDerWaalsContact O-CZ 3.3Å
111	N	24.1	Very low	26.6	Very low	98 Å²	98	98.2 Å²	98.2	52%	0.524	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	22	167	-66.9	5	0	0	0	118.8
112	Y	29.4	Very low	26.8	Very low	102 Å²	102	95 Å²	95	40%	0.4	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	132.2	-172.6	-51	-34.8	0	0	0	112.7	R110 L218	R110-Y112 WeakPolarHBondContact O-CD1 3.18Å; R110-Y112 VanDerWaalsContact O-CD2 3.28Å; R110-Y112 WeakPolarHBondContact O-CD2 3.47Å; R110-Y112 WeakPolarHBondContact O-CE1 3.33Å; R110-Y112 VanDerWaalsContact O-CE2 3.25Å; R110-Y112 WeakPolarHBondContact O-CE2 3.08Å; R110-Y112 VanDerWaalsContact O-CZ 3.3Å; Y112-L218 HydrophobicContact CD1-CB 3.07Å; Y112-L218 HydrophobicContact CD1-CD2 3.7Å; Y112-L218 HydrophobicContact CD1-CG 4.02Å; Y112-L218 HydrophobicContact CD2-CD2 3.74Å; Y112-L218 HydrophobicContact CE1-CB 3.64Å; Y112-L218 HydrophobicContact CE1-CD2 3.94Å; Y112-L218 HydrophobicContact CE1-CG 4.42Å; Y112-L218 HydrophobicContact CE2-CD2 3.99Å; Y112-L218 HydrophobicContact CG-CB 3.61Å; Y112-L218 HydrophobicContact CG-CD2 3.57Å; Y112-L218 HydrophobicContact CG-CG 4.2Å
113	G	25.6	Very low	27.2	Very low	3 Å²	3	94.5 Å²	94.5	3%	0.031	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	148.9	175.3	0	0	0	0	0	111.9	C156 L218 L219 V220	G113-C156 CarbonylContact C-O 3.59Å; G113-C156 WeakPolarHBondContact CA-O 3.43Å; G113-L218 PolarHBondContact N-O 3.2Å; G113-L219 CarbonylContact O-C 3.54Å; G113-L219 WeakPolarHBondContact O-CA 3.33Å; G113-V220 PolarHBondContact O-N 2.94Å
114	W	27.6	Very low	28	Very low	46 Å²	46	93.5 Å²	93.5	17%	0.174	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	151.6	-176.5	-89.2	71.5	0	0	0	112.8	L106 S155 C156 V220	L106-W114 HydrophobicContact CD2-CE3 4.33Å; L106-W114 HydrophobicContact CD2-CH2 4.45Å; L106-W114 HydrophobicContact CD2-CZ3 4.16Å; W114-S155 WeakPolarHBondContact O-CA 3.38Å; W114-S155 VanDerWaalsContact O-CB 3.28Å; W114-S155 WeakPolarHBondContact O-CB 3.45Å; W114-C156 PolarHBondContact N-O 2.96Å; W114-C156 PolarHBondContact O-N 2.96Å; W114-V220 CarbonylContact C-O 3.59Å; W114-V220 VanDerWaalsContact CA-O 3.32Å; W114-V220 WeakPolarHBondContact CA-O 3.4Å; W114-V220 HydrophobicContact CD2-CB 3.89Å; W114-V220 HydrophobicContact CD2-CG1 3.86Å; W114-V220 HydrophobicContact CE3-CB 4.49Å; W114-V220 HydrophobicContact CE3-CG1 4.07Å; W114-V220 HydrophobicContact CG-CB 4.05Å; W114-V220 HydrophobicContact CH2-CG1 3.93Å; W114-V220 HydrophobicContact CZ2-CB 4.35Å; W114-V220 HydrophobicContact CZ2-CG1 3.69Å; W114-V220 HydrophobicContact CZ3-CG1 4.11Å
115	C	27.7	Very low	28.8	Very low	7 Å²	7	94.5 Å²	94.5	5%	0.047	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	124.2	176.2	179.3	0	0	0	0	111.7	V153 L154 L219 V220 Q222	C115-V153 WeakPolarHBondContact SG-CG1 3.37Å; C115-L154 WeakPolarHBondContact CA-O 3.43Å; C115-L219 HydrophobicContact CB-CD1 4.35Å; C115-V220 PolarHBondContact N-O 3.28Å; C115-Q222 PolarHBondContact O-N 3.22Å; C115-Q222 VanDerWaalsContact O-N 3.15Å
116	S	29.2	Very low	29.7	Very low	18 Å²	18	91.5 Å²	91.5	13%	0.126	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	152.1	179.2	-174	0	0	0	0	112.3	V153 L154 Q222	S116-V153 WeakPolarHBondContact O-CA 3.47Å; S116-L154 PolarHBondContact N-O 3.29Å; S116-L154 PolarHBondContact O-N 3.12Å; S116-Q222 PolarHBondContact OG-OE1 3.43Å
117	R	29.4	Very low	30.9	Very low	51 Å²	51	92.1 Å²	92.1	19%	0.192	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	121.6	-172.6	179	-170.4	-66.9	-163.2	-2.8	109.9	T151 M193 Q227	R117-T151 HydrophobicContact CG-CG2 3.85Å; R117-M193 PolarHBondContact NH2-O 2.9Å; R117-Q227 VanDerWaalsContact CZ-OE1 3.28Å
118	F	28.5	Very low	31.9	Very low	65 Å²	65	94 Å²	94	29%	0.285	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.7	172.7	-67.1	-87.9	0	0	0	111	T151 V152 L154 L489	F118-T151 WeakPolarHBondContact O-CA 3.44Å; F118-V152 PolarHBondContact N-O 3.46Å; F118-V152 PolarHBondContact O-N 3.28Å; F118-L154 HydrophobicContact CD2-CD1 4.02Å; F118-L154 HydrophobicContact CE2-CD1 4.05Å; F118-L489 HydrophobicContact CD1-CD2 3.99Å; F118-L489 HydrophobicContact CE1-CD2 4.05Å
119	T	29.9	Very low	33	Very low	90 Å²	90	93 Å²	93	55%	0.552	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	111.9	170.7	-54	0	0	0	0	108.4	R121	T119-R121 PolarHBondContact O-N 3.49Å; T119-R121 VanDerWaalsContact O-N 3.16Å
120	K	36.1	Very low	34.3	Very low	81 Å²	81	92 Å²	92	35%	0.352	44%	0.44	S	S	.	.			trans	-78.8	100.6	178.2	-174.4	164.2	-177	159.3	0	110.7	R122 H149 E486	K120-R122 VanDerWaalsContact CE-NE 3.3Å; K120-H149 PolarHBondContact O-ND1 3.5Å; K120-E486 WeakPolarHBondContact CE-OE1 3.44Å; K120-E486 IonicContact NZ-OE1 3.85Å; K120-E486 PolarHBondContact NZ-OE1 3.06Å
121	R	32.7	Very low	35.7	Very low	182 Å²	182	85.4 Å²	85.4	69%	0.687	42%	0.419	S	S	*	.			trans	-81.6	130.3	173.3	-150.4	-179.1	-72.2	-165.9	-2.2	109.2	T119	T119-R121 PolarHBondContact O-N 3.49Å; T119-R121 VanDerWaalsContact O-N 3.16Å
122	R	32.4	Very low	37.2	Very low	99 Å²	99	85.5 Å²	85.5	37%	0.374	43%	0.427	S	S	.	.			trans	-144.7	56.7	-179.9	-95.4	-163.2	173.9	-161.2	-6.9	110	K120 E486	K120-R122 VanDerWaalsContact CE-NE 3.3Å; R122-E486 IonicContact CZ-OE1 3.48Å; R122-E486 VanDerWaalsContact CZ-OE1 3.32Å; R122-E486 IonicContact CZ-OE2 2.71Å; R122-E486 IonicContact NE-OE1 3.85Å; R122-E486 PolarHBondContact NE-OE1 2.94Å; R122-E486 IonicContact NH2-OE1 3.76Å; R122-E486 PolarHBondContact NH2-OE1 3.1Å; R122-E486 IonicContact NH2-OE2 3.86Å; R122-E486 PolarHBondContact NH2-OE2 3.24Å
123	D	34.2	Very low	38.2	Very low	51 Å²	51	90 Å²	90	27%	0.273	45%	0.452	S	S	.	.			trans	-114.9	95.9	174.5	-60.2	-63.8	0	0	0	108.8	I125 H149	D123-I125 PolarHBondContact O-N 2.84Å; D123-H149 IonicContact OD2-CE1 3.5Å; D123-H149 PolarHBondContact OD2-CE1 3.12Å; D123-H149 VanDerWaalsContact OD2-CE1 3.25Å; D123-H149 IonicContact OD2-NE2 2.93Å; D123-H149 PolarHBondContact OD2-NE2 3.45Å
124	L	38	Very low	39.8	Very low	90 Å²	90	93.5 Å²	93.5	47%	0.471	49%	0.487	S	S	.	.			trans	-79.7	110.9	164.7	-71.8	162.1	0	0	0	107.2	G126 T143 V479	L124-G126 PolarHBondContact O-N 3.3Å; L124-T143 WeakPolarHBondContact O-CG2 3.42Å; L124-V479 HydrophobicContact CD2-CG2 4.33Å
125	I	40.5	Very low	41.4	Very low	103 Å²	103	93.8 Å²	93.8	53%	0.528	50%	0.495	S	S	.	.			trans	-70.6	115.4	168.2	-61.5	174	0	0	0	106.7	D123 V140	D123-I125 PolarHBondContact O-N 2.84Å; I125-V140 HydrophobicContact CG2-CG1 3.86Å
126	G	42.7	Very low	42.7	Very low	47 Å²	47	104.1 Å²	104.1	49%	0.485	54%	0.54	S	S	.	.			trans	-64.8	138.8	-177.8	0	0	0	0	0	112.2	L124 R128	L124-G126 PolarHBondContact O-N 3.3Å; G126-R128 PolarHBondContact O-N 3.33Å
127	N	47.2	Very low	43.6	Very low	131 Å²	131	107.4 Å²	107.4	70%	0.701	56%	0.563	S	S	*	*	S	Bend	trans	-72.9	17.9	-179	70.2	-19	0	0	0	115
128	R	44.6	Very low	44.7	Very low	219 Å²	219	109.5 Å²	109.5	83%	0.826	58%	0.576	S	S	*	*			trans	-140.3	120.6	-177.4	-74.1	-175.8	176	-175.9	-2.4	111.2	G126	G126-R128 PolarHBondContact O-N 3.33Å
129	T	47.8	Very low	45.7	Very low	87 Å²	87	111.6 Å²	111.6	53%	0.534	60%	0.595	S	S	.	*			trans	-105.4	130.1	171.2	52	0	0	0	0	108.4	I138	T129-I138 HydrophobicContact CG2-CG2 3.53Å
130	V	49.7	Very low	46.7	Very low	139 Å²	139	111.5 Å²	111.5	84%	0.842	59%	0.594	S	S	*	*			trans	-103.9	92.8	176.8	-176.2	0	0	0	0	107.8
131	Q	52.4	Low	47	Very low	85 Å²	85	115.7 Å²	115.7	40%	0.397	61%	0.612	S	S	.	*			trans	-145.7	159.7	178.1	-146.2	176.3	2.8	0	0	108.1	P135 S137 I138	Q131-P135 HydrophobicContact CB-CG 4.47Å; Q131-P135 HydrophobicContact CG-CG 4.06Å; Q131-S137 PolarHBondContact NE2-O 3.29Å; Q131-S137 PolarHBondContact OE1-O 3.34Å; Q131-I138 VanDerWaalsContact OE1-CA 3.28Å
132	S	55.3	Low	47.3	Very low	99 Å²	99	111.1 Å²	111.1	69%	0.692	60%	0.604	S	S	*	*			trans	-56.2	160.5	171.4	-35.1	0	0	0	0	111	P135	S132-P135 WeakPolarHBondContact O-CD 3.49Å; S132-P135 WeakPolarHBondContact O-CG 3.32Å
133	E	50.9	Low	47.5	Very low	198 Å²	198	109.6 Å²	109.6	93%	0.925	61%	0.606	S	S	*	*	S	Bend	trans	-72.5	147	165.8	-164	168.2	-172.4	0	0	110.3
134	G	60.3	Low	47.3	Very low	75 Å²	75	108.9 Å²	108.9	77%	0.773	61%	0.611	S	S	*	*	S	Bend	trans	84.9	4.1	-179.3	0	0	0	0	0	121.4
135	P	59.6	Low	47.4	Very low	52 Å²	52	108.7 Å²	108.7	34%	0.338	61%	0.607	S	S	.	*			trans	-75.9	134.7	179.8	30.2	-34.7	0	0	0	112.1	Q131 S132 S137	Q131-P135 HydrophobicContact CB-CG 4.47Å; Q131-P135 HydrophobicContact CG-CG 4.06Å; S132-P135 WeakPolarHBondContact O-CD 3.49Å; S132-P135 WeakPolarHBondContact O-CG 3.32Å; P135-S137 PolarHBondContact O-N 3.29Å; P135-S137 VanDerWaalsContact O-N 3.1Å
136	K	56.5	Low	47.2	Very low	225 Å²	225	107 Å²	107	98%	0.978	60%	0.597	S	S	*	*	S	Bend	trans	-66.1	-9.3	178.5	-64.4	-175.4	178	-177.7	0	114.9
137	S	46.4	Very low	47	Very low	87 Å²	87	114.8 Å²	114.8	61%	0.608	61%	0.612	S	S	*	*			trans	-154	132.7	-179.1	60.7	0	0	0	0	111.5	Q131 P135	Q131-S137 PolarHBondContact NE2-O 3.29Å; Q131-S137 PolarHBondContact OE1-O 3.34Å; P135-S137 PolarHBondContact O-N 3.29Å; P135-S137 VanDerWaalsContact O-N 3.1Å
138	I	54	Low	46.7	Very low	94 Å²	94	112 Å²	112	48%	0.482	60%	0.6	S	S	.	*			trans	-106.1	123.7	-179.5	-54.4	173.8	0	0	0	110.5	T129 Q131 V140	T129-I138 HydrophobicContact CG2-CG2 3.53Å; Q131-I138 VanDerWaalsContact OE1-CA 3.28Å; I138-V140 PolarHBondContact O-N 3.32Å
139	V	49.6	Very low	46.9	Very low	110 Å²	110	103.3 Å²	103.3	67%	0.667	57%	0.568	S	S	*	*			trans	-78.4	106.4	177.2	-179.2	0	0	0	0	109.6	K141	V139-K141 PolarHBondContact O-N 3Å
140	V	50.2	Low	46.9	Very low	88 Å²	88	102.5 Å²	102.5	53%	0.533	56%	0.558	S	S	.	*			trans	-68.3	111.8	174.2	-178.1	0	0	0	0	109.4	I125 I138 T142	I125-V140 HydrophobicContact CG2-CG1 3.86Å; I138-V140 PolarHBondContact O-N 3.32Å; V140-T142 PolarHBondContact O-N 2.79Å
141	K	41.7	Very low	47.1	Very low	168 Å²	168	96.2 Å²	96.2	73%	0.73	52%	0.52	S	S	*	.			trans	-82.6	111.7	172.9	-68.3	178.8	179.3	174.1	0	109.3	V139	V139-K141 PolarHBondContact O-N 3Å
142	T	39.9	Very low	46.9	Very low	86 Å²	86	93 Å²	93	53%	0.528	51%	0.506	S	S	.	.			trans	-70.7	163.8	167.7	64.5	0	0	0	0	110.4	V140 G144 E146	V140-T142 PolarHBondContact O-N 2.79Å; T142-G144 PolarHBondContact O-N 3.46Å; T142-E146 PolarHBondContact OG1-OE2 3.03Å
143	T	36.3	Very low	47.1	Very low	68 Å²	68	88.4 Å²	88.4	42%	0.417	47%	0.473	S	S	.	.			trans	-77.5	6	-178.6	57.9	0	0	0	0	113.7	L124 H145	L124-T143 WeakPolarHBondContact O-CG2 3.42Å; T143-H145 WeakPolarHBondContact CB-ND1 3.14Å; T143-H145 PolarHBondContact O-N 3.25Å; T143-H145 PolarHBondContact O-ND1 2.96Å; T143-H145 WeakPolarHBondContact OG1-CB 3.46Å; T143-H145 PolarHBondContact OG1-ND1 3.18Å
144	G	30	Very low	47.3	Very low	36 Å²	36	79.9 Å²	79.9	37%	0.371	43%	0.434	S	S	.	.	S	Bend	trans	67.9	9.2	-171.7	0	0	0	0	0	114.2	T142 E146	T142-G144 PolarHBondContact O-N 3.46Å; G144-E146 VanDerWaalsContact C-N 3.27Å; G144-E146 WeakPolarHBondContact CA-OE2 3.17Å; G144-E146 PolarHBondContact O-N 3.42Å
145	H	39.3	Very low	47	Very low	86 Å²	86	76.7 Å²	76.7	40%	0.398	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-82.1	-2.4	-175.7	-77.9	63.4	0	0	0	113.5	T143 R147 T148	T143-H145 WeakPolarHBondContact CB-ND1 3.14Å; T143-H145 PolarHBondContact O-N 3.25Å; T143-H145 PolarHBondContact O-ND1 2.96Å; T143-H145 WeakPolarHBondContact OG1-CB 3.46Å; T143-H145 PolarHBondContact OG1-ND1 3.18Å; H145-R147 PolarHBondContact O-N 2.92Å; H145-T148 HydrophobicContact CB-CG2 4.47Å; H145-T148 WeakPolarHBondContact O-CA 3.38Å; H145-T148 WeakPolarHBondContact O-CB 3.41Å; H145-T148 PolarHBondContact O-N 3.28Å; H145-T148 PolarHBondContact O-OG1 2.9Å
146	E	36.7	Very low	46.5	Very low	67 Å²	67	76.6 Å²	76.6	31%	0.313	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-59.2	-19.1	172.1	69.5	-68.9	152	0	0	113.5	T142 G144 H149	T142-E146 PolarHBondContact OG1-OE2 3.03Å; G144-E146 VanDerWaalsContact C-N 3.27Å; G144-E146 WeakPolarHBondContact CA-OE2 3.17Å; G144-E146 PolarHBondContact O-N 3.42Å; E146-H149 WeakPolarHBondContact CA-NE2 3.32Å; E146-H149 PolarHBondContact O-CD2 2.86Å
147	R	38.9	Very low	46.3	Very low	210 Å²	210	66.9 Å²	66.9	79%	0.792	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-87.6	-6.3	172.9	-59.7	-177.8	-179.6	-164.1	-3	114.4	H145	H145-R147 PolarHBondContact O-N 2.92Å
148	T	41.8	Very low	46.3	Very low	74 Å²	74	65.3 Å²	65.3	45%	0.454	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-8	-176	71.4	0	0	0	0	113.9	H145	H145-T148 HydrophobicContact CB-CG2 4.47Å; H145-T148 WeakPolarHBondContact O-CA 3.38Å; H145-T148 WeakPolarHBondContact O-CB 3.41Å; H145-T148 PolarHBondContact O-N 3.28Å; H145-T148 PolarHBondContact O-OG1 2.9Å
149	H	46.9	Very low	46	Very low	35 Å²	35	65.6 Å²	65.6	16%	0.162	35%	0.354	C	S	.	.			trans	-66.7	143.9	175.4	-52.1	-62.4	0	0	0	112.3	K120 D123 E146	K120-H149 PolarHBondContact O-ND1 3.5Å; D123-H149 IonicContact OD2-CE1 3.5Å; D123-H149 PolarHBondContact OD2-CE1 3.12Å; D123-H149 VanDerWaalsContact OD2-CE1 3.25Å; D123-H149 IonicContact OD2-NE2 2.93Å; D123-H149 PolarHBondContact OD2-NE2 3.45Å; E146-H149 WeakPolarHBondContact CA-NE2 3.32Å; E146-H149 PolarHBondContact O-CD2 2.86Å
150	F	49.5	Very low	45.7	Very low	70 Å²	70	62.3 Å²	62.3	31%	0.307	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	145.1	165.8	57.3	-89.5	0	0	0	109	V152 V167 I168 F169	F150-V152 HydrophobicContact CD2-CG2 3.7Å; F150-V152 HydrophobicContact CE2-CG2 3.56Å; F150-V167 HydrophobicContact CB-CG1 4.4Å; F150-V167 HydrophobicContact CD2-CG1 3.69Å; F150-V167 HydrophobicContact CE2-CG1 4.28Å; F150-V167 HydrophobicContact CG-CG1 4.24Å; F150-I168 CarbonylContact C-O 3.52Å; F150-I168 WeakPolarHBondContact CA-O 3.34Å; F150-I168 VanDerWaalsContact CB-O 3.3Å; F150-I168 WeakPolarHBondContact CB-O 3.47Å; F150-F169 HydrophobicContact CB-CD1 3.76Å; F150-F169 HydrophobicContact CB-CE1 4Å; F150-F169 HydrophobicContact CB-CG 4.3Å; F150-F169 HydrophobicContact CD1-CD1 4.41Å; F150-F169 AromaticContact CD1-CE1 3.95Å; F150-F169 HydrophobicContact CD1-CE1 3.95Å; F150-F169 HydrophobicContact CG-CD1 4.33Å; F150-F169 HydrophobicContact CG-CE1 4.07Å
151	T	53	Low	45.7	Very low	8 Å²	8	61 Å²	61	5%	0.049	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	137.1	172	-66.6	0	0	0	0	108.8	R117 F118 V153 I168 G191	R117-T151 HydrophobicContact CG-CG2 3.85Å; F118-T151 WeakPolarHBondContact O-CA 3.44Å; T151-V153 HydrophobicContact CG2-CG2 4.34Å; T151-I168 HydrophobicContact CG2-CD1 4.34Å; T151-I168 PolarHBondContact N-O 3.08Å; T151-I168 PolarHBondContact O-N 3.4Å; T151-G191 VanDerWaalsContact CB-O 3.31Å; T151-G191 WeakPolarHBondContact CB-O 3.47Å; T151-G191 PolarHBondContact OG1-O 2.91Å
152	V	48.9	Very low	46.6	Very low	16 Å²	16	55.6 Å²	55.6	10%	0.097	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.1	168.1	-170.2	0	0	0	0	108.8	F118 F150 L154 V166	F118-V152 PolarHBondContact N-O 3.46Å; F118-V152 PolarHBondContact O-N 3.28Å; F150-V152 HydrophobicContact CD2-CG2 3.7Å; F150-V152 HydrophobicContact CE2-CG2 3.56Å; V152-L154 HydrophobicContact CG1-CD2 3.5Å; V152-L154 HydrophobicContact CG1-CG 3.84Å; V152-V166 CarbonylContact C-O 3.6Å; V152-V166 WeakPolarHBondContact CA-O 3.31Å
153	V	57.8	Low	47.6	Very low	3 Å²	3	52.1 Å²	52.1	2%	0.018	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	120.5	169.7	-165.2	0	0	0	0	107.8	C115 S116 T151 V166 I168 M193	C115-V153 WeakPolarHBondContact SG-CG1 3.37Å; S116-V153 WeakPolarHBondContact O-CA 3.47Å; T151-V153 HydrophobicContact CG2-CG2 4.34Å; V153-V166 HydrophobicContact CB-CB 4Å; V153-V166 HydrophobicContact CG2-CB 4.3Å; V153-V166 PolarHBondContact N-O 3.35Å; V153-V166 PolarHBondContact O-N 3Å; V153-I168 HydrophobicContact CG2-CD1 3.93Å; V153-M193 HydrophobicContact CG1-CE 4.47Å; V153-M193 HydrophobicContact CG2-CB 4.13Å; V153-M193 HydrophobicContact CG2-CE 4.22Å; V153-M193 HydrophobicContact CG2-CG 4.19Å; V153-M193 HydrophobicContact CG2-SD 3.96Å
154	L	55.6	Low	48.9	Very low	19 Å²	19	52.8 Å²	52.8	10%	0.099	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	139.5	-178.3	-61.6	-179.6	0	0	0	109.3	C115 S116 F118 V152 P165 F492 L496	C115-L154 WeakPolarHBondContact CA-O 3.43Å; S116-L154 PolarHBondContact N-O 3.29Å; S116-L154 PolarHBondContact O-N 3.12Å; F118-L154 HydrophobicContact CD2-CD1 4.02Å; F118-L154 HydrophobicContact CE2-CD1 4.05Å; V152-L154 HydrophobicContact CG1-CD2 3.5Å; V152-L154 HydrophobicContact CG1-CG 3.84Å; L154-P165 HydrophobicContact CD2-CB 3.57Å; L154-F492 HydrophobicContact CD1-CE1 3.56Å; L154-F492 HydrophobicContact CD1-CZ 4.26Å; L154-L496 HydrophobicContact CD1-CD1 4.16Å
155	S	54	Low	50.4	Low	9 Å²	9	52.1 Å²	52.1	6%	0.063	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	146.7	-179.1	-45	0	0	0	0	111.4	W114 L163 W201	W114-S155 WeakPolarHBondContact O-CA 3.38Å; W114-S155 VanDerWaalsContact O-CB 3.28Å; W114-S155 WeakPolarHBondContact O-CB 3.45Å; S155-L163 PolarHBondContact O-N 2.92Å; S155-W201 WeakPolarHBondContact OG-CZ2 3.48Å; S155-W201 PolarHBondContact OG-NE1 2.62Å
156	C	50.4	Low	51.3	Low	49 Å²	49	48.1 Å²	48.1	33%	0.331	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	157.7	176.5	55.6	0	0	0	0	110.9	G113 W114 M161	G113-C156 CarbonylContact C-O 3.59Å; G113-C156 WeakPolarHBondContact CA-O 3.43Å; W114-C156 PolarHBondContact N-O 2.96Å; W114-C156 PolarHBondContact O-N 2.96Å; C156-M161 CarbonylContact C-O 3.53Å; C156-M161 WeakPolarHBondContact CA-O 3.49Å
157	L	51.2	Low	52.3	Low	21 Å²	21	46 Å²	46	11%	0.11	25%	0.245	C	C	.	.			trans	-94.4	163.3	169.6	-55.8	-169.5	0	0	0	110.5	N159 G160 M161 L163 W206 R209	L157-N159 WeakPolarHBondContact CB-OD1 3.1Å; L157-N159 PolarHBondContact O-N 2.95Å; L157-G160 PolarHBondContact O-N 3.42Å; L157-M161 HydrophobicContact CD1-CE 3.49Å; L157-M161 VanDerWaalsContact CD1-CE 3.49Å; L157-M161 HydrophobicContact CG-CE 4.43Å; L157-M161 PolarHBondContact N-O 3.4Å; L157-L163 HydrophobicContact CD1-CD2 4.37Å; L157-L163 HydrophobicContact CD2-CD1 3.96Å; L157-L163 HydrophobicContact CD2-CD2 4.16Å; L157-L163 HydrophobicContact CD2-CG 4.23Å; L157-L163 HydrophobicContact CG-CD2 4.04Å; L157-L163 HydrophobicContact CG-CG 4.35Å; L157-W206 HydrophobicContact CD2-CH2 4.17Å; L157-W206 HydrophobicContact CD2-CZ3 3.72Å; L157-R209 HydrophobicContact CD1-CB 4.32Å
158	A	46.3	Very low	53.5	Low	55 Å²	55	36 Å²	36	46%	0.455	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.2	-179.2	0	0	0	0	0	114.1	G160	A158-G160 PolarHBondContact O-N 3.41Å
159	N	47.5	Very low	54.3	Low	100 Å²	100	35.4 Å²	35.4	54%	0.535	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	7	174.4	66.2	3.4	0	0	0	113.7	L157 M161	L157-N159 WeakPolarHBondContact CB-OD1 3.1Å; L157-N159 PolarHBondContact O-N 2.95Å; N159-M161 PolarHBondContact O-N 3.5Å; N159-M161 WeakPolarHBondContact OD1-CB 3.24Å; N159-M161 PolarHBondContact OD1-N 3.36Å
160	G	44.9	Very low	55.1	Low	41 Å²	41	40 Å²	40	42%	0.423	21%	0.214	S	C	.	.	S	Bend	trans	81.2	-7.2	-178.6	0	0	0	0	0	114.6	L157 A158 K162	L157-G160 PolarHBondContact O-N 3.42Å; A158-G160 PolarHBondContact O-N 3.41Å; G160-K162 WeakPolarHBondContact O-CG 3.47Å; G160-K162 PolarHBondContact O-N 2.9Å
161	M	49.3	Very low	55.8	Low	61 Å²	61	44 Å²	44	30%	0.3	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-62.9	125	174.7	-176.5	168.8	52.3	0	0	110	C156 L157 N159 P210	C156-M161 CarbonylContact C-O 3.53Å; C156-M161 WeakPolarHBondContact CA-O 3.49Å; L157-M161 HydrophobicContact CD1-CE 3.49Å; L157-M161 VanDerWaalsContact CD1-CE 3.49Å; L157-M161 HydrophobicContact CG-CE 4.43Å; L157-M161 PolarHBondContact N-O 3.4Å; N159-M161 PolarHBondContact O-N 3.5Å; N159-M161 WeakPolarHBondContact OD1-CB 3.24Å; N159-M161 PolarHBondContact OD1-N 3.36Å; M161-P210 HydrophobicContact CE-CB 4.05Å; M161-P210 HydrophobicContact CE-CG 3.7Å; M161-P210 HydrophobicContact SD-CG 4.02Å
162	K	60	Low	56.4	Low	53 Å²	53	51.3 Å²	51.3	23%	0.23	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-92.3	126.6	-176.3	-55.3	-174.3	-176	178	0	107.9	G160 G495 L496 V499 F500	G160-K162 WeakPolarHBondContact O-CG 3.47Å; G160-K162 PolarHBondContact O-N 2.9Å; K162-G495 PolarHBondContact NZ-O 3.12Å; K162-L496 HydrophobicContact CB-CD2 4.07Å; K162-L496 HydrophobicContact CD-CB 4.41Å; K162-L496 HydrophobicContact CD-CD2 3.41Å; K162-L496 VanDerWaalsContact CD-CD2 3.41Å; K162-L496 HydrophobicContact CD-CG 3.66Å; K162-L496 HydrophobicContact CG-CD2 4.28Å; K162-V499 HydrophobicContact CD-CB 4.24Å; K162-V499 HydrophobicContact CD-CG1 4.17Å; K162-V499 HydrophobicContact CG-CG1 4.11Å; K162-F500 HydrophobicContact CB-CE1 3.89Å; K162-F500 HydrophobicContact CB-CZ 3.83Å; K162-F500 WeakPolarHBondContact O-CE1 3.3Å
163	L	61.9	Low	57.2	Low	14 Å²	14	52.2 Å²	52.2	7%	0.073	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-78.5	160.3	177.7	-59.3	-179.9	0	0	0	109.8	S155 L157 W201 I205 W206 R209	S155-L163 PolarHBondContact O-N 2.92Å; L157-L163 HydrophobicContact CD1-CD2 4.37Å; L157-L163 HydrophobicContact CD2-CD1 3.96Å; L157-L163 HydrophobicContact CD2-CD2 4.16Å; L157-L163 HydrophobicContact CD2-CG 4.23Å; L157-L163 HydrophobicContact CG-CD2 4.04Å; L157-L163 HydrophobicContact CG-CG 4.35Å; L163-W201 HydrophobicContact CD1-CZ2 4.36Å; L163-I205 HydrophobicContact CB-CG2 3.64Å; L163-I205 HydrophobicContact CD1-CG2 4.13Å; L163-I205 HydrophobicContact CG-CG2 4.4Å; L163-W206 HydrophobicContact CD1-CE3 4.01Å; L163-W206 HydrophobicContact CD1-CZ3 4.34Å; L163-R209 HydrophobicContact CD2-CB 3.92Å
164	K	62.8	Low	57.6	Low	81 Å²	81	60.5 Å²	60.5	35%	0.352	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-53.7	120.4	177.8	176.4	166.2	176.6	169.7	0	110.6	S181 S183 F184 I205	K164-S181 WeakPolarHBondContact CE-O 3.44Å; K164-S181 PolarHBondContact NZ-O 3.15Å; K164-S183 WeakPolarHBondContact CE-O 3.45Å; K164-S183 PolarHBondContact NZ-O 3.4Å; K164-F184 HydrophobicContact CG-CB 4.45Å; K164-I205 HydrophobicContact CB-CG1 4.23Å; K164-I205 HydrophobicContact CB-CG2 4.33Å; K164-I205 VanDerWaalsContact O-CD1 3.28Å; K164-I205 WeakPolarHBondContact O-CD1 3.21Å
165	P	60.9	Low	57.8	Low	22 Å²	22	61.1 Å²	61.1	14%	0.143	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-67.5	143.7	-177.5	28	-37.1	0	0	0	111.7	L154 S182 F184	L154-P165 HydrophobicContact CD2-CB 3.57Å; P165-S182 WeakPolarHBondContact CD-O 3.17Å; P165-F184 PolarHBondContact O-N 3.44Å
166	V	60.2	Low	58	Low	2 Å²	2	71.2 Å²	71.2	1%	0.012	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	132.5	168.8	-178.3	0	0	0	0	109.4	V152 V153 I168 F184 W201 I205	V152-V166 CarbonylContact C-O 3.6Å; V152-V166 WeakPolarHBondContact CA-O 3.31Å; V153-V166 HydrophobicContact CB-CB 4Å; V153-V166 HydrophobicContact CG2-CB 4.3Å; V153-V166 PolarHBondContact N-O 3.35Å; V153-V166 PolarHBondContact O-N 3Å; V166-I168 HydrophobicContact CG1-CD1 4.38Å; V166-I168 HydrophobicContact CG1-CG1 3.77Å; V166-F184 CarbonylContact C-O 3.5Å; V166-F184 VanDerWaalsContact CA-O 3.24Å; V166-F184 WeakPolarHBondContact CA-O 3.32Å; V166-F184 HydrophobicContact CG1-CD1 4.04Å; V166-F184 HydrophobicContact CG2-CB 4.31Å; V166-F184 HydrophobicContact CG2-CD1 4.05Å; V166-W201 HydrophobicContact CG2-CB 4.35Å; V166-W201 HydrophobicContact CG2-CG 4.4Å; V166-I205 HydrophobicContact CG2-CD1 3.35Å
167	V	57.3	Low	58	Low	22 Å²	22	75.5 Å²	75.5	13%	0.133	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	118.4	174.3	-175.8	0	0	0	0	108.2	F150 F169 F184 V185 R186	F150-V167 HydrophobicContact CB-CG1 4.4Å; F150-V167 HydrophobicContact CD2-CG1 3.69Å; F150-V167 HydrophobicContact CE2-CG1 4.28Å; F150-V167 HydrophobicContact CG-CG1 4.24Å; V167-F169 HydrophobicContact CG1-CD2 4.22Å; V167-F169 HydrophobicContact CG1-CE2 3.64Å; V167-F169 HydrophobicContact CG1-CZ 3.84Å; V167-F184 PolarHBondContact N-O 2.97Å; V167-V185 HydrophobicContact CB-CG2 4.37Å; V167-V185 CarbonylContact O-C 3.42Å; V167-V185 WeakPolarHBondContact O-CA 3.37Å; V167-R186 PolarHBondContact O-N 2.94Å
168	I	64.3	Low	57.9	Low	0 Å²	0	81.9 Å²	81.9	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	105.6	-175.5	-45.9	176.9	0	0	0	109.2	F150 T151 V153 V166 R186 H188 M193	F150-I168 CarbonylContact C-O 3.52Å; F150-I168 WeakPolarHBondContact CA-O 3.34Å; F150-I168 VanDerWaalsContact CB-O 3.3Å; F150-I168 WeakPolarHBondContact CB-O 3.47Å; T151-I168 HydrophobicContact CG2-CD1 4.34Å; T151-I168 PolarHBondContact N-O 3.08Å; T151-I168 PolarHBondContact O-N 3.4Å; V153-I168 HydrophobicContact CG2-CD1 3.93Å; V166-I168 HydrophobicContact CG1-CD1 4.38Å; V166-I168 HydrophobicContact CG1-CG1 3.77Å; I168-R186 WeakPolarHBondContact CA-O 3.28Å; I168-H188 HydrophobicContact CG2-CB 3.6Å; I168-M193 HydrophobicContact CD1-CB 3.84Å; I168-M193 HydrophobicContact CD1-CG 4.35Å; I168-M193 HydrophobicContact CD1-SD 3.61Å
169	F	57.8	Low	58.2	Low	62 Å²	62	82 Å²	82	27%	0.272	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	137.3	174.4	-69	-81.3	0	0	0	111.1	F150 V167 R171 F179 V185 R186 F187 H188	F150-F169 HydrophobicContact CB-CD1 3.76Å; F150-F169 HydrophobicContact CB-CE1 4Å; F150-F169 HydrophobicContact CB-CG 4.3Å; F150-F169 HydrophobicContact CD1-CD1 4.41Å; F150-F169 AromaticContact CD1-CE1 3.95Å; F150-F169 HydrophobicContact CD1-CE1 3.95Å; F150-F169 HydrophobicContact CG-CD1 4.33Å; F150-F169 HydrophobicContact CG-CE1 4.07Å; V167-F169 HydrophobicContact CG1-CD2 4.22Å; V167-F169 HydrophobicContact CG1-CE2 3.64Å; V167-F169 HydrophobicContact CG1-CZ 3.84Å; F169-R171 VanDerWaalsContact C-N 3.31Å; F169-R171 PolarHBondContact O-N 3.22Å; F169-F179 AromaticContact CE2-CE1 4Å; F169-F179 HydrophobicContact CE2-CE1 4Å; F169-F179 HydrophobicContact CZ-CE1 4.48Å; F169-V185 HydrophobicContact CD2-CG1 3.63Å; F169-V185 HydrophobicContact CE2-CG1 3.59Å; F169-R186 PolarHBondContact N-O 2.97Å; F169-F187 HydrophobicContact CB-CD1 3.81Å; F169-F187 HydrophobicContact CB-CE1 3.96Å; F169-F187 HydrophobicContact CD2-CD1 4.34Å; F169-F187 AromaticContact CD2-CE1 3.71Å; F169-F187 HydrophobicContact CD2-CE1 3.71Å; F169-F187 HydrophobicContact CD2-CZ 4.26Å; F169-F187 HydrophobicContact CG-CD1 4.44Å; F169-F187 HydrophobicContact CG-CE1 4.09Å; F169-H188 PolarHBondContact O-N 2.88Å; F169-H188 VanDerWaalsContact O-O 3.12Å
170	R	62.7	Low	58.4	Low	131 Å²	131	80.2 Å²	80.2	49%	0.494	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	78.1	173	-172.1	171.5	-175.6	-173.7	3.9	110.9	H188 E189 N190	R170-H188 WeakPolarHBondContact CA-O 3.12Å; R170-E189 WeakPolarHBondContact CG-O 3.39Å; R170-N190 WeakPolarHBondContact CD-O 3.41Å; R170-N190 WeakPolarHBondContact CG-O 3.37Å; R170-N190 PolarHBondContact NE-O 3.33Å
171	R	65.5	Low	59.3	Low	156 Å²	156	83.4 Å²	83.4	59%	0.589	40%	0.4	S	S	*	.			trans	-158.2	149.1	180	-158.3	175.1	-176.1	172.3	2	111.5	F169 G173 F187 H188	F169-R171 VanDerWaalsContact C-N 3.31Å; F169-R171 PolarHBondContact O-N 3.22Å; R171-G173 WeakPolarHBondContact CD-O 3.3Å; R171-F187 CarbonylContact O-C 3.38Å; R171-H188 PolarHBondContact N-O 2.85Å; R171-H188 VanDerWaalsContact N-O 3.09Å; R171-H188 CarbonylContact O-C 3.32Å; R171-H188 PolarHBondContact O-N 3.18Å
172	K	66.1	Low	59.4	Low	160 Å²	160	84.6 Å²	84.6	70%	0.696	41%	0.414	S	S	*	.	S	Bend	trans	-77.1	-15.7	174.6	-58.3	-164.6	-173.7	-132.3	0	114.9	E189	K172-E189 WeakPolarHBondContact CE-OE1 3.33Å; K172-E189 WeakPolarHBondContact CE-OE2 3.46Å; K172-E189 HydrophobicContact CG-CB 4.33Å; K172-E189 HydrophobicContact CG-CG 4.27Å; K172-E189 IonicContact NZ-OE1 2.64Å; K172-E189 PolarHBondContact NZ-OE1 3.48Å; K172-E189 IonicContact NZ-OE2 2.92Å; K172-E189 PolarHBondContact NZ-OE2 3.44Å
173	G	64.5	Low	59.1	Low	35 Å²	35	82.9 Å²	82.9	36%	0.361	41%	0.409	S	S	.	.	S	Bend	trans	-135.6	143.6	-171.4	0	0	0	0	0	113.8	R171	R171-G173 WeakPolarHBondContact CD-O 3.3Å
174	R	66.6	Low	59.4	Low	178 Å²	178	84 Å²	84	67%	0.672	41%	0.413	S	S	*	.			trans	-75.7	126.9	174.7	173.4	168.6	177.2	-171	-2	110.5	F187	R174-F187 HydrophobicContact CB-CD2 3.67Å; R174-F187 HydrophobicContact CB-CE2 3.66Å; R174-F187 HydrophobicContact CB-CG 4.38Å; R174-F187 HydrophobicContact CB-CZ 4.36Å; R174-F187 HydrophobicContact CG-CD2 4.14Å; R174-F187 HydrophobicContact CG-CE2 3.6Å; R174-F187 HydrophobicContact CG-CZ 4.18Å
175	P	60.6	Low	59.4	Low	32 Å²	32	81.6 Å²	81.6	21%	0.208	41%	0.405	C	S	.	.			trans	-61.7	154.3	168.3	-22.1	34.5	0	0	0	111.9	E177 F179 F187	P175-E177 HydrophobicContact CB-CB 4.38Å; P175-E177 HydrophobicContact CB-CG 4.46Å; P175-E177 PolarHBondContact O-N 3.4Å; P175-E177 VanDerWaalsContact O-N 3.1Å; P175-F179 HydrophobicContact CB-CZ 4.38Å; P175-F179 HydrophobicContact CG-CZ 4.08Å; P175-F187 VanDerWaalsContact CD-CZ 3.4Å; P175-F187 HydrophobicContact CG-CE1 4.16Å; P175-F187 HydrophobicContact CG-CZ 4.46Å
176	K	57	Low	59.9	Low	220 Å²	220	81.4 Å²	81.4	96%	0.957	40%	0.401	S	S	*	.	S	Bend	trans	-72.3	9	171.9	-64.6	-173	177.4	-175.8	0	113.8
177	E	51.1	Low	60.5	Low	140 Å²	140	83.2 Å²	83.2	65%	0.654	41%	0.409	S	S	*	.	S	Bend	trans	-86.3	145.7	-179.9	-65.4	177.3	-171.1	0	0	110.8	P175 F179	P175-E177 HydrophobicContact CB-CB 4.38Å; P175-E177 HydrophobicContact CB-CG 4.46Å; P175-E177 PolarHBondContact O-N 3.4Å; P175-E177 VanDerWaalsContact O-N 3.1Å; E177-F179 VanDerWaalsContact O-CD2 3.28Å; E177-F179 WeakPolarHBondContact O-CD2 3.41Å; E177-F179 WeakPolarHBondContact O-CE2 3.23Å
178	D	49	Very low	61.3	Low	155 Å²	155	83.6 Å²	83.6	83%	0.829	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-77.1	132.3	173	-71.5	-48.6	0	0	0	111.4
179	F	51.9	Low	61.8	Low	56 Å²	56	88.5 Å²	88.5	25%	0.246	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-100.5	142.4	177.2	-66.7	-82.7	0	0	0	110	F169 P175 E177 S181 V185 F187	F169-F179 AromaticContact CE2-CE1 4Å; F169-F179 HydrophobicContact CE2-CE1 4Å; F169-F179 HydrophobicContact CZ-CE1 4.48Å; P175-F179 HydrophobicContact CB-CZ 4.38Å; P175-F179 HydrophobicContact CG-CZ 4.08Å; E177-F179 VanDerWaalsContact O-CD2 3.28Å; E177-F179 WeakPolarHBondContact O-CD2 3.41Å; E177-F179 WeakPolarHBondContact O-CE2 3.23Å; F179-S181 PolarHBondContact O-N 3.14Å; F179-V185 HydrophobicContact CB-CB 4.25Å; F179-V185 HydrophobicContact CB-CG2 3.69Å; F179-V185 HydrophobicContact CD1-CB 4.2Å; F179-V185 HydrophobicContact CD1-CG1 3.91Å; F179-V185 HydrophobicContact CD1-CG2 3.75Å; F179-V185 HydrophobicContact CD2-CG1 4.46Å; F179-V185 HydrophobicContact CE1-CG1 4.09Å; F179-V185 HydrophobicContact CG-CB 4.06Å; F179-V185 HydrophobicContact CG-CG1 4.11Å; F179-V185 HydrophobicContact CG-CG2 3.8Å; F179-V185 HydrophobicContact CZ-CG1 4.47Å; F179-F187 HydrophobicContact CD2-CZ 4.49Å; F179-F187 HydrophobicContact CE1-CZ 4.33Å; F179-F187 HydrophobicContact CE2-CE2 4.38Å; F179-F187 AromaticContact CE2-CZ 3.7Å; F179-F187 HydrophobicContact CE2-CZ 3.7Å; F179-F187 HydrophobicContact CZ-CE1 4.25Å; F179-F187 AromaticContact CZ-CZ 3.61Å; F179-F187 HydrophobicContact CZ-CZ 3.61Å
180	P	52.3	Low	62.2	Low	64 Å²	64	89.5 Å²	89.5	42%	0.416	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-61.3	128	-177.5	24	-32.4	0	0	0	110.8	S182 S183	P180-S182 PolarHBondContact O-N 3.15Å; P180-S183 PolarHBondContact O-N 2.83Å; P180-S183 PolarHBondContact O-OG 2.99Å
181	S	62.8	Low	62.2	Low	108 Å²	108	83.6 Å²	83.6	76%	0.755	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-17.6	-178.1	56.6	0	0	0	0	113.9	K164 F179 S183	K164-S181 WeakPolarHBondContact CE-O 3.44Å; K164-S181 PolarHBondContact NZ-O 3.15Å; F179-S181 PolarHBondContact O-N 3.14Å; S181-S183 PolarHBondContact O-N 2.94Å
182	S	51.4	Low	62	Low	85 Å²	85	82 Å²	82	59%	0.594	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-1.1	171.1	57.2	0	0	0	0	114.8	P165 P180	P165-S182 WeakPolarHBondContact CD-O 3.17Å; P180-S182 PolarHBondContact O-N 3.15Å
183	S	54.5	Low	62	Low	18 Å²	18	74.4 Å²	74.4	13%	0.126	38%	0.381	C	S	.	.	S	Bend	trans	-132.8	150.1	177	66.7	0	0	0	0	112.1	K164 P180 S181	K164-S183 WeakPolarHBondContact CE-O 3.45Å; K164-S183 PolarHBondContact NZ-O 3.4Å; P180-S183 PolarHBondContact O-N 2.83Å; P180-S183 PolarHBondContact O-OG 2.99Å; S181-S183 PolarHBondContact O-N 2.94Å
184	F	67.1	Low	62.2	Low	37 Å²	37	74.9 Å²	74.9	16%	0.162	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	106	172.9	-175.7	-100.3	0	0	0	108.7	K164 P165 V166 V167 L200 N204 I205	K164-F184 HydrophobicContact CG-CB 4.45Å; P165-F184 PolarHBondContact O-N 3.44Å; V166-F184 CarbonylContact C-O 3.5Å; V166-F184 VanDerWaalsContact CA-O 3.24Å; V166-F184 WeakPolarHBondContact CA-O 3.32Å; V166-F184 HydrophobicContact CG1-CD1 4.04Å; V166-F184 HydrophobicContact CG2-CB 4.31Å; V166-F184 HydrophobicContact CG2-CD1 4.05Å; V167-F184 PolarHBondContact N-O 2.97Å; F184-L200 HydrophobicContact CE1-CB 4.02Å; F184-L200 HydrophobicContact CZ-CB 4.09Å; F184-L200 HydrophobicContact CZ-CD2 4.49Å; F184-N204 HydrophobicContact CD2-CB 3.85Å; F184-N204 HydrophobicContact CE2-CB 3.6Å; F184-N204 VanDerWaalsContact CE2-CG 3.49Å; F184-N204 HydrophobicContact CZ-CB 4.16Å; F184-I205 HydrophobicContact CB-CD1 3.83Å; F184-I205 HydrophobicContact CB-CG1 4.46Å; F184-I205 HydrophobicContact CD1-CD1 4.48Å; F184-I205 HydrophobicContact CG-CD1 4.23Å
185	V	63.9	Low	62.3	Low	31 Å²	31	70.3 Å²	70.3	19%	0.188	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	125.8	-174.9	-177.6	0	0	0	0	110.6	V167 F169 F179 F187	V167-V185 HydrophobicContact CB-CG2 4.37Å; V167-V185 CarbonylContact O-C 3.42Å; V167-V185 WeakPolarHBondContact O-CA 3.37Å; F169-V185 HydrophobicContact CD2-CG1 3.63Å; F169-V185 HydrophobicContact CE2-CG1 3.59Å; F179-V185 HydrophobicContact CB-CB 4.25Å; F179-V185 HydrophobicContact CB-CG2 3.69Å; F179-V185 HydrophobicContact CD1-CB 4.2Å; F179-V185 HydrophobicContact CD1-CG1 3.91Å; F179-V185 HydrophobicContact CD1-CG2 3.75Å; F179-V185 HydrophobicContact CD2-CG1 4.46Å; F179-V185 HydrophobicContact CE1-CG1 4.09Å; F179-V185 HydrophobicContact CG-CB 4.06Å; F179-V185 HydrophobicContact CG-CG1 4.11Å; F179-V185 HydrophobicContact CG-CG2 3.8Å; F179-V185 HydrophobicContact CZ-CG1 4.47Å; V185-F187 HydrophobicContact CG1-CE1 4.27Å; V185-F187 HydrophobicContact CG1-CE2 3.88Å; V185-F187 HydrophobicContact CG1-CZ 3.56Å
186	R	71.9	Confident	63.2	Low	17 Å²	17	74.3 Å²	74.3	6%	0.064	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	148.2	174.2	-175.7	165	178.7	-109.6	10.8	110.5	V167 I168 F169 H188 D194	V167-R186 PolarHBondContact O-N 2.94Å; I168-R186 WeakPolarHBondContact CA-O 3.28Å; F169-R186 PolarHBondContact N-O 2.97Å; R186-H188 PolarHBondContact NH1-CD2 2.92Å; R186-H188 VanDerWaalsContact NH1-CD2 3.35Å; R186-D194 IonicContact CZ-OD1 3.38Å; R186-D194 IonicContact CZ-OD2 3.32Å; R186-D194 IonicContact NH1-OD1 2.97Å; R186-D194 PolarHBondContact NH1-OD1 3.41Å; R186-D194 IonicContact NH1-OD2 2.86Å; R186-D194 IonicContact NH2-OD1 3.74Å; R186-D194 PolarHBondContact NH2-OD1 3.15Å; R186-D194 IonicContact NH2-OD2 3.32Å; R186-D194 PolarHBondContact NH2-OD2 3.41Å
187	F	72.9	Confident	63.8	Low	40 Å²	40	64 Å²	64	18%	0.175	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125	170.5	-56.7	-81.3	0	0	0	106.6	F169 R171 R174 P175 F179 V185	F169-F187 HydrophobicContact CB-CD1 3.81Å; F169-F187 HydrophobicContact CB-CE1 3.96Å; F169-F187 HydrophobicContact CD2-CD1 4.34Å; F169-F187 AromaticContact CD2-CE1 3.71Å; F169-F187 HydrophobicContact CD2-CE1 3.71Å; F169-F187 HydrophobicContact CD2-CZ 4.26Å; F169-F187 HydrophobicContact CG-CD1 4.44Å; F169-F187 HydrophobicContact CG-CE1 4.09Å; R171-F187 CarbonylContact O-C 3.38Å; R174-F187 HydrophobicContact CB-CD2 3.67Å; R174-F187 HydrophobicContact CB-CE2 3.66Å; R174-F187 HydrophobicContact CB-CG 4.38Å; R174-F187 HydrophobicContact CB-CZ 4.36Å; R174-F187 HydrophobicContact CG-CD2 4.14Å; R174-F187 HydrophobicContact CG-CE2 3.6Å; R174-F187 HydrophobicContact CG-CZ 4.18Å; P175-F187 VanDerWaalsContact CD-CZ 3.4Å; P175-F187 HydrophobicContact CG-CE1 4.16Å; P175-F187 HydrophobicContact CG-CZ 4.46Å; F179-F187 HydrophobicContact CD2-CZ 4.49Å; F179-F187 HydrophobicContact CE1-CZ 4.33Å; F179-F187 HydrophobicContact CE2-CE2 4.38Å; F179-F187 AromaticContact CE2-CZ 3.7Å; F179-F187 HydrophobicContact CE2-CZ 3.7Å; F179-F187 HydrophobicContact CZ-CE1 4.25Å; F179-F187 AromaticContact CZ-CZ 3.61Å; F179-F187 HydrophobicContact CZ-CZ 3.61Å; V185-F187 HydrophobicContact CG1-CE1 4.27Å; V185-F187 HydrophobicContact CG1-CE2 3.88Å; V185-F187 HydrophobicContact CG1-CZ 3.56Å
188	H	73.2	Confident	64.6	Low	31 Å²	31	57.5 Å²	57.5	14%	0.144	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	133.9	-179.4	-175.3	-104.2	0	0	0	108.3	I168 F169 R170 R171 R186 N190 G191 D194	I168-H188 HydrophobicContact CG2-CB 3.6Å; F169-H188 PolarHBondContact O-N 2.88Å; F169-H188 VanDerWaalsContact O-O 3.12Å; R170-H188 WeakPolarHBondContact CA-O 3.12Å; R171-H188 PolarHBondContact N-O 2.85Å; R171-H188 VanDerWaalsContact N-O 3.09Å; R171-H188 CarbonylContact O-C 3.32Å; R171-H188 PolarHBondContact O-N 3.18Å; R186-H188 PolarHBondContact NH1-CD2 2.92Å; R186-H188 VanDerWaalsContact NH1-CD2 3.35Å; H188-N190 PolarHBondContact ND1-N 3.34Å; H188-N190 PolarHBondContact O-N 3.29Å; H188-N190 VanDerWaalsContact O-N 3.16Å; H188-G191 PolarHBondContact ND1-N 3.02Å; H188-G191 PolarHBondContact O-N 2.69Å; H188-D194 IonicContact CD2-OD2 2.7Å; H188-D194 IonicContact NE2-OD2 3.25Å
189	E	74.4	Confident	65.8	Low	103 Å²	103	56.1 Å²	56.1	48%	0.481	29%	0.286	S	S	.	.	S	Bend	trans	-50.2	-46.1	-176.3	176.1	160.6	-176.5	0	0	112.3	R170 K172	R170-E189 WeakPolarHBondContact CG-O 3.39Å; K172-E189 WeakPolarHBondContact CE-OE1 3.33Å; K172-E189 WeakPolarHBondContact CE-OE2 3.46Å; K172-E189 HydrophobicContact CG-CB 4.33Å; K172-E189 HydrophobicContact CG-CG 4.27Å; K172-E189 IonicContact NZ-OE1 2.64Å; K172-E189 PolarHBondContact NZ-OE1 3.48Å; K172-E189 IonicContact NZ-OE2 2.92Å; K172-E189 PolarHBondContact NZ-OE2 3.44Å
190	N	67.9	Low	67.1	Low	83 Å²	83	56 Å²	56	44%	0.444	29%	0.288	S	S	.	.	S	Bend	trans	-87.8	-22	-178.2	-59.2	-28.6	0	0	0	112.5	R170 H188 W192	R170-N190 WeakPolarHBondContact CD-O 3.41Å; R170-N190 WeakPolarHBondContact CG-O 3.37Å; R170-N190 PolarHBondContact NE-O 3.33Å; H188-N190 PolarHBondContact ND1-N 3.34Å; H188-N190 PolarHBondContact O-N 3.29Å; H188-N190 VanDerWaalsContact O-N 3.16Å; N190-W192 HydrophobicContact CB-CG 4.5Å; N190-W192 PolarHBondContact O-NE1 3.45Å
191	G	61.5	Low	68.2	Low	6 Å²	6	53.1 Å²	53.1	6%	0.062	27%	0.269	C	S	.	.			trans	83.8	21.2	-178.4	0	0	0	0	0	117.9	T151 H188	T151-G191 VanDerWaalsContact CB-O 3.31Å; T151-G191 WeakPolarHBondContact CB-O 3.47Å; T151-G191 PolarHBondContact OG1-O 2.91Å; H188-G191 PolarHBondContact ND1-N 3.02Å; H188-G191 PolarHBondContact O-N 2.69Å
192	W	61.9	Low	68.6	Low	122 Å²	122	48.3 Å²	48.3	46%	0.462	24%	0.235	S	C	.	.	S	Bend	trans	-120	168.5	-175.5	-35.6	54.8	0	0	0	109.2	N190	N190-W192 HydrophobicContact CB-CG 4.5Å; N190-W192 PolarHBondContact O-NE1 3.45Å
193	M	65.1	Low	70	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.01	22%	0.224	C	C	.	.			trans	-85.2	117.3	169.5	-164.6	71.3	149.2	0	0	110.2	R117 V153 I168 G197 V198 W201 Y230	R117-M193 PolarHBondContact NH2-O 2.9Å; V153-M193 HydrophobicContact CG1-CE 4.47Å; V153-M193 HydrophobicContact CG2-CB 4.13Å; V153-M193 HydrophobicContact CG2-CE 4.22Å; V153-M193 HydrophobicContact CG2-CG 4.19Å; V153-M193 HydrophobicContact CG2-SD 3.96Å; I168-M193 HydrophobicContact CD1-CB 3.84Å; I168-M193 HydrophobicContact CD1-CG 4.35Å; I168-M193 HydrophobicContact CD1-SD 3.61Å; M193-G197 VanDerWaalsContact CE-C 3.42Å; M193-G197 WeakPolarHBondContact CE-O 3.35Å; M193-G197 VanDerWaalsContact SD-C 3.55Å; M193-V198 HydrophobicContact CE-CG2 4.29Å; M193-V198 HydrophobicContact CG-CG2 4.06Å; M193-W201 HydrophobicContact CE-CB 3.67Å; M193-W201 HydrophobicContact CE-CG 4.26Å; M193-Y230 HydrophobicContact CB-CE2 4.03Å; M193-Y230 HydrophobicContact CG-CE2 3.75Å; M193-Y230 WeakPolarHBondContact O-CD2 3.34Å; M193-Y230 WeakPolarHBondContact O-CE2 3.47Å
194	D	68.4	Low	71.2	Confident	44 Å²	44	49.1 Å²	49.1	24%	0.235	23%	0.231	C	C	.	.			trans	-107.8	-179	177.3	65.4	-30.9	0	0	0	111.1	R186 H188 Q196 G197 V198	R186-D194 IonicContact CZ-OD1 3.38Å; R186-D194 IonicContact CZ-OD2 3.32Å; R186-D194 IonicContact NH1-OD1 2.97Å; R186-D194 PolarHBondContact NH1-OD1 3.41Å; R186-D194 IonicContact NH1-OD2 2.86Å; R186-D194 IonicContact NH2-OD1 3.74Å; R186-D194 PolarHBondContact NH2-OD1 3.15Å; R186-D194 IonicContact NH2-OD2 3.32Å; R186-D194 PolarHBondContact NH2-OD2 3.41Å; H188-D194 IonicContact CD2-OD2 2.7Å; H188-D194 IonicContact NE2-OD2 3.25Å; D194-Q196 PolarHBondContact O-N 3.35Å; D194-G197 PolarHBondContact O-N 3.08Å; D194-G197 WeakPolarHBondContact OD1-CA 3.5Å; D194-G197 PolarHBondContact OD1-N 2.96Å; D194-V198 WeakPolarHBondContact O-CG2 3.2Å; D194-V198 PolarHBondContact O-N 2.87Å
195	E	70.1	Confident	71.4	Confident	83 Å²	83	47.7 Å²	47.7	39%	0.388	23%	0.225	S	C	.	.	H	α-helix	trans	-47.7	-52.8	172.1	158.4	131.8	-121.7	0	0	112.8	G197 V198 R199 S233	E195-G197 VanDerWaalsContact C-N 3.34Å; E195-G197 PolarHBondContact O-N 3.28Å; E195-V198 PolarHBondContact O-N 3.12Å; E195-R199 PolarHBondContact O-N 3.03Å; E195-R199 VanDerWaalsContact O-N 3.08Å; E195-R199 IonicContact OE1-CZ 3.4Å; E195-R199 IonicContact OE1-NE 3.42Å; E195-R199 PolarHBondContact OE1-NE 2.97Å; E195-R199 IonicContact OE1-NH2 2.69Å; E195-R199 PolarHBondContact OE1-NH2 2.88Å; E195-S233 WeakPolarHBondContact CA-OG 3.44Å; E195-S233 VanDerWaalsContact CB-OG 3.24Å; E195-S233 WeakPolarHBondContact CB-OG 3.34Å; E195-S233 WeakPolarHBondContact CG-OG 3.45Å; E195-S233 WeakPolarHBondContact OE1-CB 3.35Å; E195-S233 PolarHBondContact OE1-OG 3.04Å
196	Q	78.1	Confident	71.6	Confident	116 Å²	116	46.4 Å²	46.4	54%	0.542	22%	0.217	S	C	.	.	H	α-helix	trans	-67.1	-36.8	-177.4	-170.1	-164.6	62.5	0	0	111.4	D194 V198 R199 L200	D194-Q196 PolarHBondContact O-N 3.35Å; Q196-V198 PolarHBondContact O-N 2.99Å; Q196-R199 PolarHBondContact O-N 3.27Å; Q196-L200 HydrophobicContact CG-CD1 4.37Å; Q196-L200 WeakPolarHBondContact O-CB 3.3Å; Q196-L200 VanDerWaalsContact O-CG 3.3Å; Q196-L200 WeakPolarHBondContact O-CG 3.43Å; Q196-L200 PolarHBondContact O-N 2.8Å
197	G	71.6	Confident	71.7	Confident	2 Å²	2	51.9 Å²	51.9	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-60.2	-41	172.7	0	0	0	0	0	113	M193 D194 E195 L200 W201	M193-G197 VanDerWaalsContact CE-C 3.42Å; M193-G197 WeakPolarHBondContact CE-O 3.35Å; M193-G197 VanDerWaalsContact SD-C 3.55Å; D194-G197 PolarHBondContact O-N 3.08Å; D194-G197 WeakPolarHBondContact OD1-CA 3.5Å; D194-G197 PolarHBondContact OD1-N 2.96Å; E195-G197 VanDerWaalsContact C-N 3.34Å; E195-G197 PolarHBondContact O-N 3.28Å; G197-L200 PolarHBondContact O-N 2.93Å; G197-W201 PolarHBondContact O-N 2.82Å
198	V	66.5	Low	71.9	Confident	4 Å²	4	56.8 Å²	56.8	2%	0.024	26%	0.259	C	S	.	.	H	α-helix	trans	-64.3	-46.8	174.7	174.2	0	0	0	0	111.4	M193 D194 E195 Q196 L200 W201 I202 Y230 V234	M193-V198 HydrophobicContact CE-CG2 4.29Å; M193-V198 HydrophobicContact CG-CG2 4.06Å; D194-V198 WeakPolarHBondContact O-CG2 3.2Å; D194-V198 PolarHBondContact O-N 2.87Å; E195-V198 PolarHBondContact O-N 3.12Å; Q196-V198 PolarHBondContact O-N 2.99Å; V198-L200 VanDerWaalsContact C-N 3.31Å; V198-L200 PolarHBondContact O-N 2.98Å; V198-W201 PolarHBondContact O-N 3.21Å; V198-W201 VanDerWaalsContact O-N 3.14Å; V198-I202 HydrophobicContact CG1-CD1 3.89Å; V198-I202 HydrophobicContact CG1-CG1 4.41Å; V198-I202 WeakPolarHBondContact O-CG1 3.43Å; V198-I202 PolarHBondContact O-N 3.04Å; V198-Y230 HydrophobicContact CG2-CD2 4.14Å; V198-Y230 HydrophobicContact CG2-CE2 3.34Å; V198-V234 HydrophobicContact CG1-CG2 4.06Å; V198-V234 HydrophobicContact CG2-CG2 4.05Å
199	R	74.1	Confident	71.6	Confident	126 Å²	126	56.6 Å²	56.6	48%	0.475	26%	0.257	S	S	.	.	H	α-helix	trans	-58.4	-44.4	176.2	-65	-179.8	-171	-175.2	4	111.2	E195 Q196 W201 I202 D203	E195-R199 PolarHBondContact O-N 3.03Å; E195-R199 VanDerWaalsContact O-N 3.08Å; E195-R199 IonicContact OE1-CZ 3.4Å; E195-R199 IonicContact OE1-NE 3.42Å; E195-R199 PolarHBondContact OE1-NE 2.97Å; E195-R199 IonicContact OE1-NH2 2.69Å; E195-R199 PolarHBondContact OE1-NH2 2.88Å; Q196-R199 PolarHBondContact O-N 3.27Å; R199-W201 PolarHBondContact O-N 3.44Å; R199-I202 WeakPolarHBondContact O-CB 3.15Å; R199-I202 PolarHBondContact O-N 2.88Å; R199-I202 VanDerWaalsContact O-N 3.15Å; R199-D203 PolarHBondContact O-N 2.7Å
200	L	79.9	Confident	71.1	Confident	54 Å²	54	55.7 Å²	55.7	28%	0.283	26%	0.26	S	S	.	.	H	α-helix	trans	-61.5	-38.9	175.1	-72.8	168.7	0	0	0	113.1	F184 Q196 G197 V198 N204	F184-L200 HydrophobicContact CE1-CB 4.02Å; F184-L200 HydrophobicContact CZ-CB 4.09Å; F184-L200 HydrophobicContact CZ-CD2 4.49Å; Q196-L200 HydrophobicContact CG-CD1 4.37Å; Q196-L200 WeakPolarHBondContact O-CB 3.3Å; Q196-L200 VanDerWaalsContact O-CG 3.3Å; Q196-L200 WeakPolarHBondContact O-CG 3.43Å; Q196-L200 PolarHBondContact O-N 2.8Å; G197-L200 PolarHBondContact O-N 2.93Å; V198-L200 VanDerWaalsContact C-N 3.31Å; V198-L200 PolarHBondContact O-N 2.98Å; L200-N204 VanDerWaalsContact O-CB 3.23Å; L200-N204 WeakPolarHBondContact O-CB 3.28Å; L200-N204 PolarHBondContact O-N 2.89Å; L200-N204 PolarHBondContact O-ND2 2.93Å
201	W	74.6	Confident	70.6	Confident	4 Å²	4	56.2 Å²	56.2	2%	0.015	26%	0.261	C	S	.	.	H	α-helix	trans	-67.4	-39.5	173.1	171.1	93.2	0	0	0	112	S155 L163 V166 M193 G197 V198 R199 D203 I205 W206 L219	S155-W201 WeakPolarHBondContact OG-CZ2 3.48Å; S155-W201 PolarHBondContact OG-NE1 2.62Å; L163-W201 HydrophobicContact CD1-CZ2 4.36Å; V166-W201 HydrophobicContact CG2-CB 4.35Å; V166-W201 HydrophobicContact CG2-CG 4.4Å; M193-W201 HydrophobicContact CE-CB 3.67Å; M193-W201 HydrophobicContact CE-CG 4.26Å; G197-W201 PolarHBondContact O-N 2.82Å; V198-W201 PolarHBondContact O-N 3.21Å; V198-W201 VanDerWaalsContact O-N 3.14Å; R199-W201 PolarHBondContact O-N 3.44Å; W201-D203 PolarHBondContact O-N 3.15Å; W201-I205 VanDerWaalsContact CD1-CD1 3.48Å; W201-I205 HydrophobicContact CG-CB 4.49Å; W201-I205 HydrophobicContact CG-CD1 4.24Å; W201-I205 WeakPolarHBondContact O-CA 3.19Å; W201-I205 VanDerWaalsContact O-CB 3.3Å; W201-I205 WeakPolarHBondContact O-CB 3.29Å; W201-I205 PolarHBondContact O-N 2.83Å; W201-W206 HydrophobicContact CE3-CB 4.31Å; W201-W206 HydrophobicContact CH2-CB 4.01Å; W201-W206 AromaticContact CH2-CD2 3.93Å; W201-W206 HydrophobicContact CH2-CD2 3.93Å; W201-W206 AromaticContact CH2-CE3 3.49Å; W201-W206 HydrophobicContact CH2-CE3 3.49Å; W201-W206 VanDerWaalsContact CH2-CE3 3.49Å; W201-W206 HydrophobicContact CH2-CG 4.15Å; W201-W206 HydrophobicContact CH2-CZ3 4.3Å; W201-W206 HydrophobicContact CZ2-CB 4.45Å; W201-W206 AromaticContact CZ2-CE3 3.94Å; W201-W206 HydrophobicContact CZ2-CE3 3.94Å; W201-W206 HydrophobicContact CZ3-CB 3.94Å; W201-W206 HydrophobicContact CZ3-CD2 4.42Å; W201-W206 HydrophobicContact CZ3-CE3 4.4Å; W201-W206 HydrophobicContact CZ3-CG 4.23Å; W201-W206 PolarHBondContact O-N 3.35Å; W201-L219 HydrophobicContact CH2-CD1 3.67Å; W201-L219 HydrophobicContact CH2-CD2 3.83Å; W201-L219 HydrophobicContact CH2-CG 4.42Å; W201-L219 HydrophobicContact CZ2-CD1 4.48Å; W201-L219 HydrophobicContact CZ3-CD1 4.37Å; W201-L219 HydrophobicContact CZ3-CD2 3.66Å
202	I	72.5	Confident	70.2	Confident	7 Å²	7	61.6 Å²	61.6	4%	0.036	29%	0.288	C	S	.	.	I	π-helix	trans	-56.6	-52.5	173.5	-75.5	165	0	0	0	110	V198 R199 W206 R207 I241	V198-I202 HydrophobicContact CG1-CD1 3.89Å; V198-I202 HydrophobicContact CG1-CG1 4.41Å; V198-I202 WeakPolarHBondContact O-CG1 3.43Å; V198-I202 PolarHBondContact O-N 3.04Å; R199-I202 WeakPolarHBondContact O-CB 3.15Å; R199-I202 PolarHBondContact O-N 2.88Å; R199-I202 VanDerWaalsContact O-N 3.15Å; I202-W206 WeakPolarHBondContact O-CB 3.45Å; I202-W206 PolarHBondContact O-N 3.2Å; I202-R207 HydrophobicContact CG2-CG 4.29Å; I202-R207 WeakPolarHBondContact O-CB 3.09Å; I202-R207 WeakPolarHBondContact O-CG 3.47Å; I202-R207 PolarHBondContact O-N 3.48Å; I202-I241 HydrophobicContact CB-CD1 4.48Å; I202-I241 HydrophobicContact CD1-CD1 4.01Å; I202-I241 HydrophobicContact CG1-CD1 4.1Å; I202-I241 HydrophobicContact CG2-CD1 3.56Å; I202-I241 HydrophobicContact CG2-CG1 4.29Å
203	D	79	Confident	69.2	Low	67 Å²	67	62.4 Å²	62.4	36%	0.358	31%	0.312	S	S	.	.	I	π-helix	trans	-74.9	-37	-172.8	-67.9	-35.6	0	0	0	113.8	R199 W201 R207 K208	R199-D203 PolarHBondContact O-N 2.7Å; W201-D203 PolarHBondContact O-N 3.15Å; D203-R207 WeakPolarHBondContact OD1-CD 3.49Å; D203-R207 IonicContact OD1-CZ 3.43Å; D203-R207 IonicContact OD1-NE 2.79Å; D203-R207 IonicContact OD1-NH1 2.66Å; D203-R207 PolarHBondContact OD1-NH1 3.02Å; D203-K208 WeakPolarHBondContact O-CE 3.32Å
204	N	80.1	Confident	68.2	Low	53 Å²	53	66.6 Å²	66.6	28%	0.283	34%	0.335	S	S	.	.	I	π-helix	trans	-94.8	-16.7	-174	-68.1	-80.3	0	0	0	114.3	F184 L200	F184-N204 HydrophobicContact CD2-CB 3.85Å; F184-N204 HydrophobicContact CE2-CB 3.6Å; F184-N204 VanDerWaalsContact CE2-CG 3.49Å; F184-N204 HydrophobicContact CZ-CB 4.16Å; L200-N204 VanDerWaalsContact O-CB 3.23Å; L200-N204 WeakPolarHBondContact O-CB 3.28Å; L200-N204 PolarHBondContact O-N 2.89Å; L200-N204 PolarHBondContact O-ND2 2.93Å
205	I	72	Confident	67.2	Low	7 Å²	7	67.3 Å²	67.3	4%	0.036	34%	0.343	C	S	.	.	I	π-helix	trans	-131	-57.2	-172.5	-58.6	162.7	0	0	0	110.6	L163 K164 V166 F184 W201 K208 R209	L163-I205 HydrophobicContact CB-CG2 3.64Å; L163-I205 HydrophobicContact CD1-CG2 4.13Å; L163-I205 HydrophobicContact CG-CG2 4.4Å; K164-I205 HydrophobicContact CB-CG1 4.23Å; K164-I205 HydrophobicContact CB-CG2 4.33Å; K164-I205 VanDerWaalsContact O-CD1 3.28Å; K164-I205 WeakPolarHBondContact O-CD1 3.21Å; V166-I205 HydrophobicContact CG2-CD1 3.35Å; F184-I205 HydrophobicContact CB-CD1 3.83Å; F184-I205 HydrophobicContact CB-CG1 4.46Å; F184-I205 HydrophobicContact CD1-CD1 4.48Å; F184-I205 HydrophobicContact CG-CD1 4.23Å; W201-I205 VanDerWaalsContact CD1-CD1 3.48Å; W201-I205 HydrophobicContact CG-CB 4.49Å; W201-I205 HydrophobicContact CG-CD1 4.24Å; W201-I205 WeakPolarHBondContact O-CA 3.19Å; W201-I205 VanDerWaalsContact O-CB 3.3Å; W201-I205 WeakPolarHBondContact O-CB 3.29Å; W201-I205 PolarHBondContact O-N 2.83Å; I205-K208 PolarHBondContact O-N 3.11Å; I205-R209 PolarHBondContact O-N 3.4Å
206	W	68.5	Low	66.1	Low	3 Å²	3	71.8 Å²	71.8	1%	0.011	36%	0.357	C	S	.	.	I	π-helix	trans	-64.1	-49.6	-175.9	-175.6	-107.2	0	0	0	112.7	L157 L163 W201 I202 K208 R209 W238	L157-W206 HydrophobicContact CD2-CH2 4.17Å; L157-W206 HydrophobicContact CD2-CZ3 3.72Å; L163-W206 HydrophobicContact CD1-CE3 4.01Å; L163-W206 HydrophobicContact CD1-CZ3 4.34Å; W201-W206 HydrophobicContact CE3-CB 4.31Å; W201-W206 HydrophobicContact CH2-CB 4.01Å; W201-W206 AromaticContact CH2-CD2 3.93Å; W201-W206 HydrophobicContact CH2-CD2 3.93Å; W201-W206 AromaticContact CH2-CE3 3.49Å; W201-W206 HydrophobicContact CH2-CE3 3.49Å; W201-W206 VanDerWaalsContact CH2-CE3 3.49Å; W201-W206 HydrophobicContact CH2-CG 4.15Å; W201-W206 HydrophobicContact CH2-CZ3 4.3Å; W201-W206 HydrophobicContact CZ2-CB 4.45Å; W201-W206 AromaticContact CZ2-CE3 3.94Å; W201-W206 HydrophobicContact CZ2-CE3 3.94Å; W201-W206 HydrophobicContact CZ3-CB 3.94Å; W201-W206 HydrophobicContact CZ3-CD2 4.42Å; W201-W206 HydrophobicContact CZ3-CE3 4.4Å; W201-W206 HydrophobicContact CZ3-CG 4.23Å; W201-W206 PolarHBondContact O-N 3.35Å; I202-W206 WeakPolarHBondContact O-CB 3.45Å; I202-W206 PolarHBondContact O-N 3.2Å; W206-K208 PolarHBondContact O-N 3.36Å; W206-R209 VanDerWaalsContact CE2-CZ 3.45Å; W206-R209 VanDerWaalsContact NE1-NH1 3.18Å; W206-R209 WeakPolarHBondContact O-CB 3.47Å; W206-R209 VanDerWaalsContact O-CD 3.32Å; W206-R209 WeakPolarHBondContact O-CD 3.39Å; W206-R209 WeakPolarHBondContact O-CG 3.49Å; W206-R209 PolarHBondContact O-N 2.95Å; W206-R209 PolarHBondContact O-NH1 3.27Å; W206-W238 HydrophobicContact CD2-CZ3 4.34Å; W206-W238 AromaticContact CE2-CH2 3.72Å; W206-W238 AromaticContact CE2-CZ3 3.6Å; W206-W238 HydrophobicContact CH2-CH2 4.24Å; W206-W238 AromaticContact CZ2-CH2 3.46Å; W206-W238 HydrophobicContact CZ2-CH2 3.46Å; W206-W238 VanDerWaalsContact CZ2-CH2 3.46Å; W206-W238 AromaticContact CZ2-CZ3 3.84Å; W206-W238 HydrophobicContact CZ2-CZ3 3.84Å; W206-W238 AromaticContact NE1-CH2 3.81Å; W206-W238 AromaticContact NE1-CZ3 3.44Å
207	R	72.9	Confident	64.8	Low	132 Å²	132	67.4 Å²	67.4	50%	0.498	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-19.2	179.4	-76.1	178.5	167	175.6	-10.9	113.6	I202 D203	I202-R207 HydrophobicContact CG2-CG 4.29Å; I202-R207 WeakPolarHBondContact O-CB 3.09Å; I202-R207 WeakPolarHBondContact O-CG 3.47Å; I202-R207 PolarHBondContact O-N 3.48Å; D203-R207 WeakPolarHBondContact OD1-CD 3.49Å; D203-R207 IonicContact OD1-CZ 3.43Å; D203-R207 IonicContact OD1-NE 2.79Å; D203-R207 IonicContact OD1-NH1 2.66Å; D203-R207 PolarHBondContact OD1-NH1 3.02Å
208	K	77.2	Confident	63.7	Low	144 Å²	144	70.7 Å²	70.7	63%	0.626	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	4.9	-179.8	-58.5	-173.1	-172.1	171.7	0	113.6	D203 I205 W206	D203-K208 WeakPolarHBondContact O-CE 3.32Å; I205-K208 PolarHBondContact O-N 3.11Å; W206-K208 PolarHBondContact O-N 3.36Å
209	R	68	Low	62.9	Low	26 Å²	26	71.7 Å²	71.7	10%	0.098	36%	0.36	C	S	.	.	S	Bend	trans	-66.4	147.4	174.5	77.1	-168.9	-176.8	-76.1	2.5	110.5	L157 L163 I205 W206 M211	L157-R209 HydrophobicContact CD1-CB 4.32Å; L163-R209 HydrophobicContact CD2-CB 3.92Å; I205-R209 PolarHBondContact O-N 3.4Å; W206-R209 VanDerWaalsContact CE2-CZ 3.45Å; W206-R209 VanDerWaalsContact NE1-NH1 3.18Å; W206-R209 WeakPolarHBondContact O-CB 3.47Å; W206-R209 VanDerWaalsContact O-CD 3.32Å; W206-R209 WeakPolarHBondContact O-CD 3.39Å; W206-R209 WeakPolarHBondContact O-CG 3.49Å; W206-R209 PolarHBondContact O-N 2.95Å; W206-R209 PolarHBondContact O-NH1 3.27Å; R209-M211 HydrophobicContact CG-SD 4.44Å; R209-M211 PolarHBondContact NH2-SD 3.07Å; R209-M211 PolarHBondContact O-N 3.46Å
210	P	64.3	Low	61.6	Low	84 Å²	84	67.7 Å²	67.7	55%	0.545	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-53	127.7	163.1	-25.2	34.7	0	0	0	110.2	M161	M161-P210 HydrophobicContact CE-CB 4.05Å; M161-P210 HydrophobicContact CE-CG 3.7Å; M161-P210 HydrophobicContact SD-CG 4.02Å
211	M	56.9	Low	59.9	Low	95 Å²	95	66.7 Å²	66.7	47%	0.468	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-99.8	118.6	-179.4	-74.4	-74.9	-69.4	0	0	109.4	R209	R209-M211 HydrophobicContact CG-SD 4.44Å; R209-M211 PolarHBondContact NH2-SD 3.07Å; R209-M211 PolarHBondContact O-N 3.46Å
212	D	52	Low	58.3	Low	119 Å²	119	68.8 Å²	68.8	64%	0.636	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-71.2	156.3	160.1	-59	-41.9	0	0	0	109.2	N214	D212-N214 PolarHBondContact O-N 3.49Å
213	S	42.3	Very low	57	Low	139 Å²	139	70.4 Å²	70.4	97%	0.972	37%	0.367	S	S	*	.	S	Bend	trans	-66.5	7.5	-171.7	53.6	0	0	0	0	116.1
214	N	44.3	Very low	55.1	Low	90 Å²	90	68.1 Å²	68.1	48%	0.481	36%	0.359	S	S	.	.			trans	-105.1	108.2	179.9	-165.4	-14.7	0	0	0	110.3	D212 R216	D212-N214 PolarHBondContact O-N 3.49Å; N214-R216 PolarHBondContact O-N 2.93Å; N214-R216 VanDerWaalsContact O-N 3.07Å
215	S	46.1	Very low	52.9	Low	58 Å²	58	68.8 Å²	68.8	41%	0.406	37%	0.368	S	S	.	.			trans	-69.5	-2.2	-173.9	45	0	0	0	0	115.1
216	R	48.1	Very low	51.2	Low	178 Å²	178	70.5 Å²	70.5	67%	0.672	39%	0.388	S	S	*	.			trans	-94.5	123.9	176.1	-65.2	-176.4	178.5	179.8	1.1	111.3	N214	N214-R216 PolarHBondContact O-N 2.93Å; N214-R216 VanDerWaalsContact O-N 3.07Å
217	S	49.7	Very low	50.1	Low	24 Å²	24	72.7 Å²	72.7	17%	0.168	40%	0.398	C	S	.	.			trans	-135.9	152.7	172.7	56.5	0	0	0	0	110.4	W238 Q242	S217-W238 WeakPolarHBondContact O-CZ2 3.24Å; S217-Q242 PolarHBondContact O-NE2 2.83Å
218	L	49.1	Very low	48.1	Very low	71 Å²	71	69.3 Å²	69.3	37%	0.372	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	152.8	166.7	-170.6	69.8	0	0	0	108.7	Y112 G113 V220	Y112-L218 HydrophobicContact CD1-CB 3.07Å; Y112-L218 HydrophobicContact CD1-CD2 3.7Å; Y112-L218 HydrophobicContact CD1-CG 4.02Å; Y112-L218 HydrophobicContact CD2-CD2 3.74Å; Y112-L218 HydrophobicContact CE1-CB 3.64Å; Y112-L218 HydrophobicContact CE1-CD2 3.94Å; Y112-L218 HydrophobicContact CE1-CG 4.42Å; Y112-L218 HydrophobicContact CE2-CD2 3.99Å; Y112-L218 HydrophobicContact CG-CB 3.61Å; Y112-L218 HydrophobicContact CG-CD2 3.57Å; Y112-L218 HydrophobicContact CG-CG 4.2Å; G113-L218 PolarHBondContact N-O 3.2Å; L218-V220 HydrophobicContact CD2-CG2 4.07Å; L218-V220 HydrophobicContact CG-CG2 4.49Å
219	L	49.1	Very low	46.5	Very low	24 Å²	24	65.1 Å²	65.1	13%	0.126	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	121.6	168.1	175.5	61	0	0	0	109.4	G113 C115 W201 C221 V234 W238	G113-L219 CarbonylContact O-C 3.54Å; G113-L219 WeakPolarHBondContact O-CA 3.33Å; C115-L219 HydrophobicContact CB-CD1 4.35Å; W201-L219 HydrophobicContact CH2-CD1 3.67Å; W201-L219 HydrophobicContact CH2-CD2 3.83Å; W201-L219 HydrophobicContact CH2-CG 4.42Å; W201-L219 HydrophobicContact CZ2-CD1 4.48Å; W201-L219 HydrophobicContact CZ3-CD1 4.37Å; W201-L219 HydrophobicContact CZ3-CD2 3.66Å; L219-C221 VanDerWaalsContact CG-SG 3.57Å; L219-V234 HydrophobicContact CD2-CG1 4.49Å; L219-W238 HydrophobicContact CB-CD2 4.13Å; L219-W238 HydrophobicContact CB-CE3 3.81Å; L219-W238 HydrophobicContact CB-CH2 3.45Å; L219-W238 VanDerWaalsContact CB-CH2 3.45Å; L219-W238 HydrophobicContact CB-CZ2 3.79Å; L219-W238 HydrophobicContact CB-CZ3 3.46Å; L219-W238 VanDerWaalsContact CB-CZ3 3.46Å; L219-W238 HydrophobicContact CD2-CE3 3.81Å; L219-W238 HydrophobicContact CD2-CZ3 3.84Å; L219-W238 HydrophobicContact CG-CE3 4.49Å; L219-W238 HydrophobicContact CG-CZ3 4.27Å
220	V	46.1	Very low	45.3	Very low	42 Å²	42	64.7 Å²	64.7	26%	0.255	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	110.6	173.2	-174.2	0	0	0	0	108.1	G113 W114 C115 L218	G113-V220 PolarHBondContact O-N 2.94Å; W114-V220 CarbonylContact C-O 3.59Å; W114-V220 VanDerWaalsContact CA-O 3.32Å; W114-V220 WeakPolarHBondContact CA-O 3.4Å; W114-V220 HydrophobicContact CD2-CB 3.89Å; W114-V220 HydrophobicContact CD2-CG1 3.86Å; W114-V220 HydrophobicContact CE3-CB 4.49Å; W114-V220 HydrophobicContact CE3-CG1 4.07Å; W114-V220 HydrophobicContact CG-CB 4.05Å; W114-V220 HydrophobicContact CH2-CG1 3.93Å; W114-V220 HydrophobicContact CZ2-CB 4.35Å; W114-V220 HydrophobicContact CZ2-CG1 3.69Å; W114-V220 HydrophobicContact CZ3-CG1 4.11Å; C115-V220 PolarHBondContact N-O 3.28Å; L218-V220 HydrophobicContact CD2-CG2 4.07Å; L218-V220 HydrophobicContact CG-CG2 4.49Å
221	C	44.2	Very low	44.3	Very low	34 Å²	34	66.3 Å²	66.3	23%	0.23	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.9	177.8	-75.5	0	0	0	0	109.9	L219 V223	L219-C221 VanDerWaalsContact CG-SG 3.57Å; C221-V223 PolarHBondContact O-N 3.32Å
222	Q	42.3	Very low	43.7	Very low	47 Å²	47	69.4 Å²	69.4	22%	0.22	41%	0.41	C	S	.	.			trans	-74.1	120.3	163.7	-169.5	-176.2	5.5	0	0	108.7	P102 L104 C115 S116	P102-Q222 PolarHBondContact O-NE2 2.76Å; P102-Q222 VanDerWaalsContact O-NE2 3.11Å; L104-Q222 VanDerWaalsContact CD1-OE1 3.31Å; C115-Q222 PolarHBondContact O-N 3.22Å; C115-Q222 VanDerWaalsContact O-N 3.15Å; S116-Q222 PolarHBondContact OG-OE1 3.43Å
223	V	44.7	Very low	43.5	Very low	41 Å²	41	63.8 Å²	63.8	25%	0.248	38%	0.381	C	S	.	.			trans	-106.4	127.9	177.1	-173.4	0	0	0	0	108.6	C221 Y230 F231	C221-V223 PolarHBondContact O-N 3.32Å; V223-Y230 HydrophobicContact CB-CD1 4.45Å; V223-Y230 HydrophobicContact CG1-CD1 3.84Å; V223-Y230 HydrophobicContact CG2-CD1 3.82Å; V223-Y230 HydrophobicContact CG2-CE1 3.94Å; V223-F231 HydrophobicContact CG2-CD2 4.43Å
224	G	39.1	Very low	43.8	Very low	19 Å²	19	58 Å²	58	20%	0.196	34%	0.339	C	S	.	.			trans	-68	136.3	172.2	0	0	0	0	0	110.8	G226 Q227	G224-G226 PolarHBondContact O-N 2.88Å; G224-Q227 PolarHBondContact O-N 3.21Å; G224-Q227 VanDerWaalsContact O-N 3.15Å
225	S	33.6	Very low	44.1	Very low	67 Å²	67	61.3 Å²	61.3	47%	0.469	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-1.4	-166	-5.4	0	0	0	0	115.5	L100	L100-S225 VanDerWaalsContact CB-OG 3.29Å; L100-S225 WeakPolarHBondContact CB-OG 3.24Å
226	G	37	Very low	44.4	Very low	44 Å²	44	62.4 Å²	62.4	45%	0.454	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	10.3	173.3	0	0	0	0	0	116.2	G224	G224-G226 PolarHBondContact O-N 2.88Å
227	Q	44.5	Very low	44.6	Very low	48 Å²	48	55.1 Å²	55.1	22%	0.224	33%	0.329	C	S	.	.			trans	-132.1	57.6	-172.5	-65.9	-166.5	-24.2	0	0	114.5	R117 G224 G229 Y230	R117-Q227 VanDerWaalsContact CZ-OE1 3.28Å; G224-Q227 PolarHBondContact O-N 3.21Å; G224-Q227 VanDerWaalsContact O-N 3.15Å; Q227-G229 PolarHBondContact O-N 3.31Å; Q227-G229 VanDerWaalsContact O-N 3.15Å; Q227-Y230 WeakPolarHBondContact O-CB 3.5Å; Q227-Y230 PolarHBondContact O-N 3.49Å
228	G	32	Very low	44.8	Very low	62 Å²	62	55.4 Å²	55.4	64%	0.639	33%	0.326	S	S	*	.	H	α-helix	trans	-55.4	-31.7	177.4	0	0	0	0	0	115	Y230 F231	G228-Y230 VanDerWaalsContact C-N 3.32Å; G228-Y230 PolarHBondContact O-N 3.43Å; G228-F231 PolarHBondContact O-N 3.24Å
229	G	42.7	Very low	45	Very low	55 Å²	55	56 Å²	56	57%	0.567	33%	0.329	S	S	*	.	H	α-helix	trans	-65	-31.8	175	0	0	0	0	0	114	Q227 F231 K232 S233	Q227-G229 PolarHBondContact O-N 3.31Å; Q227-G229 VanDerWaalsContact O-N 3.15Å; G229-F231 VanDerWaalsContact C-N 3.32Å; G229-F231 PolarHBondContact O-N 2.81Å; G229-K232 PolarHBondContact O-N 2.93Å; G229-S233 PolarHBondContact O-N 3.11Å
230	Y	42.8	Very low	45.3	Very low	17 Å²	17	56.2 Å²	56.2	7%	0.067	34%	0.338	C	S	.	.	H	α-helix	trans	-58	-45.9	176.7	-178.4	-92.9	0	0	0	110.7	M193 V198 V223 Q227 G228 K232 S233 V234	M193-Y230 HydrophobicContact CB-CE2 4.03Å; M193-Y230 HydrophobicContact CG-CE2 3.75Å; M193-Y230 WeakPolarHBondContact O-CD2 3.34Å; M193-Y230 WeakPolarHBondContact O-CE2 3.47Å; V198-Y230 HydrophobicContact CG2-CD2 4.14Å; V198-Y230 HydrophobicContact CG2-CE2 3.34Å; V223-Y230 HydrophobicContact CB-CD1 4.45Å; V223-Y230 HydrophobicContact CG1-CD1 3.84Å; V223-Y230 HydrophobicContact CG2-CD1 3.82Å; V223-Y230 HydrophobicContact CG2-CE1 3.94Å; Q227-Y230 WeakPolarHBondContact O-CB 3.5Å; Q227-Y230 PolarHBondContact O-N 3.49Å; G228-Y230 VanDerWaalsContact C-N 3.32Å; G228-Y230 PolarHBondContact O-N 3.43Å; Y230-K232 PolarHBondContact O-N 2.9Å; Y230-S233 WeakPolarHBondContact O-CB 3.32Å; Y230-S233 PolarHBondContact O-N 2.9Å; Y230-V234 HydrophobicContact CD1-CG2 3.72Å; Y230-V234 HydrophobicContact CE1-CG2 3.51Å; Y230-V234 HydrophobicContact CG-CG2 4.35Å; Y230-V234 VanDerWaalsContact O-CG2 3.31Å; Y230-V234 WeakPolarHBondContact O-CG2 3.21Å; Y230-V234 PolarHBondContact O-N 2.94Å
231	F	43.6	Very low	45.5	Very low	119 Å²	119	54.4 Å²	54.4	52%	0.522	33%	0.327	S	S	.	.	H	α-helix	trans	-62.8	-40	-177	-171.9	-98.8	0	0	0	113.2	V223 G228 G229 S233 V234 R235	V223-F231 HydrophobicContact CG2-CD2 4.43Å; G228-F231 PolarHBondContact O-N 3.24Å; G229-F231 VanDerWaalsContact C-N 3.32Å; G229-F231 PolarHBondContact O-N 2.81Å; F231-S233 VanDerWaalsContact C-N 3.34Å; F231-S233 PolarHBondContact O-N 3.35Å; F231-V234 PolarHBondContact O-N 3.15Å; F231-R235 VanDerWaalsContact O-CB 3.3Å; F231-R235 WeakPolarHBondContact O-CB 3.35Å; F231-R235 PolarHBondContact O-N 3.19Å
232	K	45.5	Very low	45.5	Very low	159 Å²	159	54.4 Å²	54.4	69%	0.691	32%	0.323	S	S	*	.	H	α-helix	trans	-60.2	-45.6	175.4	-70.2	-174.5	177.6	-179	0	110.9	G229 Y230 R235 S236	G229-K232 PolarHBondContact O-N 2.93Å; Y230-K232 PolarHBondContact O-N 2.9Å; K232-R235 PolarHBondContact O-N 3.39Å; K232-S236 PolarHBondContact O-N 3.44Å; K232-S236 PolarHBondContact O-OG 3.4Å
233	S	47.3	Very low	45.8	Very low	2 Å²	2	57.3 Å²	57.3	1%	0.014	34%	0.34	C	S	.	.	H	α-helix	trans	-62.5	-48.9	177.9	-178.8	0	0	0	0	113.2	E195 G229 Y230 F231 R235 S236 S237	E195-S233 WeakPolarHBondContact CA-OG 3.44Å; E195-S233 VanDerWaalsContact CB-OG 3.24Å; E195-S233 WeakPolarHBondContact CB-OG 3.34Å; E195-S233 WeakPolarHBondContact CG-OG 3.45Å; E195-S233 WeakPolarHBondContact OE1-CB 3.35Å; E195-S233 PolarHBondContact OE1-OG 3.04Å; G229-S233 PolarHBondContact O-N 3.11Å; Y230-S233 WeakPolarHBondContact O-CB 3.32Å; Y230-S233 PolarHBondContact O-N 2.9Å; F231-S233 VanDerWaalsContact C-N 3.34Å; F231-S233 PolarHBondContact O-N 3.35Å; S233-R235 VanDerWaalsContact C-N 3.29Å; S233-R235 PolarHBondContact O-N 2.99Å; S233-S236 PolarHBondContact O-N 2.99Å; S233-S237 WeakPolarHBondContact O-CB 3.41Å; S233-S237 PolarHBondContact O-N 3.32Å; S233-S237 PolarHBondContact O-OG 3.42Å
234	V	48.7	Very low	45.7	Very low	18 Å²	18	61 Å²	61	11%	0.109	36%	0.358	C	S	.	.	H	α-helix	trans	-56.4	-48.6	176.4	-179.7	0	0	0	0	109.1	V198 L219 Y230 F231 S237 W238	V198-V234 HydrophobicContact CG1-CG2 4.06Å; V198-V234 HydrophobicContact CG2-CG2 4.05Å; L219-V234 HydrophobicContact CD2-CG1 4.49Å; Y230-V234 HydrophobicContact CD1-CG2 3.72Å; Y230-V234 HydrophobicContact CE1-CG2 3.51Å; Y230-V234 HydrophobicContact CG-CG2 4.35Å; Y230-V234 VanDerWaalsContact O-CG2 3.31Å; Y230-V234 WeakPolarHBondContact O-CG2 3.21Å; Y230-V234 PolarHBondContact O-N 2.94Å; F231-V234 PolarHBondContact O-N 3.15Å; V234-S237 PolarHBondContact O-N 3.46Å; V234-W238 WeakPolarHBondContact O-CB 3.33Å; V234-W238 PolarHBondContact O-N 3.14Å
235	R	49.9	Very low	45.8	Very low	158 Å²	158	63.5 Å²	63.5	60%	0.596	37%	0.365	S	S	*	.	H	α-helix	trans	-60.9	-50.4	-178.5	-176.4	174.5	178	166	0	112.3	F231 K232 S233 W238 L239	F231-R235 VanDerWaalsContact O-CB 3.3Å; F231-R235 WeakPolarHBondContact O-CB 3.35Å; F231-R235 PolarHBondContact O-N 3.19Å; K232-R235 PolarHBondContact O-N 3.39Å; S233-R235 VanDerWaalsContact C-N 3.29Å; S233-R235 PolarHBondContact O-N 2.99Å; R235-W238 PolarHBondContact O-N 3.37Å; R235-L239 HydrophobicContact CG-CD1 3.92Å; R235-L239 HydrophobicContact CG-CG 4.43Å; R235-L239 VanDerWaalsContact O-CG 3.29Å; R235-L239 WeakPolarHBondContact O-CG 2.98Å; R235-L239 PolarHBondContact O-N 3.34Å
236	S	52.4	Low	45.8	Very low	82 Å²	82	65.3 Å²	65.3	57%	0.573	37%	0.366	S	S	*	.	H	α-helix	trans	-63.2	-44.1	179.6	-61.6	0	0	0	0	112.2	K232 S233 W238 G240	K232-S236 PolarHBondContact O-N 3.44Å; K232-S236 PolarHBondContact O-OG 3.4Å; S233-S236 PolarHBondContact O-N 2.99Å; S236-W238 VanDerWaalsContact C-N 3.29Å; S236-W238 PolarHBondContact O-N 3.2Å; S236-G240 PolarHBondContact O-N 3.44Å
237	S	52.5	Low	45.3	Very low	24 Å²	24	71.3 Å²	71.3	17%	0.168	38%	0.375	C	S	.	.	H	α-helix	trans	-65.6	-34.3	177.3	-51.1	0	0	0	0	111.8	S233 V234 I241	S233-S237 WeakPolarHBondContact O-CB 3.41Å; S233-S237 PolarHBondContact O-N 3.32Å; S233-S237 PolarHBondContact O-OG 3.42Å; V234-S237 PolarHBondContact O-N 3.46Å; S237-I241 WeakPolarHBondContact O-CG1 3.36Å; S237-I241 PolarHBondContact O-N 3.38Å
238	W	53	Low	44.3	Very low	31 Å²	31	74.9 Å²	74.9	12%	0.117	40%	0.402	C	S	.	.	H	α-helix	trans	-72.7	-44.4	178.6	-173.9	-103	0	0	0	113.2	W206 S217 L219 V234 R235 S236 G240 I241 Q242	W206-W238 HydrophobicContact CD2-CZ3 4.34Å; W206-W238 AromaticContact CE2-CH2 3.72Å; W206-W238 AromaticContact CE2-CZ3 3.6Å; W206-W238 HydrophobicContact CH2-CH2 4.24Å; W206-W238 AromaticContact CZ2-CH2 3.46Å; W206-W238 HydrophobicContact CZ2-CH2 3.46Å; W206-W238 VanDerWaalsContact CZ2-CH2 3.46Å; W206-W238 AromaticContact CZ2-CZ3 3.84Å; W206-W238 HydrophobicContact CZ2-CZ3 3.84Å; W206-W238 AromaticContact NE1-CH2 3.81Å; W206-W238 AromaticContact NE1-CZ3 3.44Å; S217-W238 WeakPolarHBondContact O-CZ2 3.24Å; L219-W238 HydrophobicContact CB-CD2 4.13Å; L219-W238 HydrophobicContact CB-CE3 3.81Å; L219-W238 HydrophobicContact CB-CH2 3.45Å; L219-W238 VanDerWaalsContact CB-CH2 3.45Å; L219-W238 HydrophobicContact CB-CZ2 3.79Å; L219-W238 HydrophobicContact CB-CZ3 3.46Å; L219-W238 VanDerWaalsContact CB-CZ3 3.46Å; L219-W238 HydrophobicContact CD2-CE3 3.81Å; L219-W238 HydrophobicContact CD2-CZ3 3.84Å; L219-W238 HydrophobicContact CG-CE3 4.49Å; L219-W238 HydrophobicContact CG-CZ3 4.27Å; V234-W238 WeakPolarHBondContact O-CB 3.33Å; V234-W238 PolarHBondContact O-N 3.14Å; R235-W238 PolarHBondContact O-N 3.37Å; S236-W238 VanDerWaalsContact C-N 3.29Å; S236-W238 PolarHBondContact O-N 3.2Å; W238-G240 VanDerWaalsContact C-N 3.32Å; W238-G240 PolarHBondContact O-N 3.25Å; W238-I241 HydrophobicContact CE3-CD1 4.06Å; W238-I241 HydrophobicContact CZ3-CD1 4.44Å; W238-I241 WeakPolarHBondContact O-CB 3.3Å; W238-I241 PolarHBondContact O-N 3.29Å; W238-Q242 PolarHBondContact O-N 2.92Å; W238-Q242 VanDerWaalsContact O-N 3.15Å
239	L	53.3	Low	44	Very low	83 Å²	83	75.5 Å²	75.5	44%	0.435	41%	0.408	S	S	.	.	H	α-helix	trans	-58.7	-46.4	175.2	-70.6	168.7	0	0	0	110.4	R235 I241 Q242 D243	R235-L239 HydrophobicContact CG-CD1 3.92Å; R235-L239 HydrophobicContact CG-CG 4.43Å; R235-L239 VanDerWaalsContact O-CG 3.29Å; R235-L239 WeakPolarHBondContact O-CG 2.98Å; R235-L239 PolarHBondContact O-N 3.34Å; L239-I241 PolarHBondContact O-N 3.12Å; L239-Q242 PolarHBondContact O-N 2.87Å; L239-D243 PolarHBondContact O-N 2.93Å
240	G	56	Low	43.2	Very low	29 Å²	29	78.3 Å²	78.3	30%	0.299	41%	0.406	S	S	.	.	H	α-helix	trans	-61.6	-14.9	173.8	0	0	0	0	0	115.4	S236 W238 N244	S236-G240 PolarHBondContact O-N 3.44Å; W238-G240 VanDerWaalsContact C-N 3.32Å; W238-G240 PolarHBondContact O-N 3.25Å; G240-N244 PolarHBondContact O-ND2 2.87Å
241	I	50.5	Low	42.6	Very low	4 Å²	4	83.5 Å²	83.5	2%	0.021	44%	0.44	C	S	.	.	H	α-helix	trans	-83.7	-43.6	169.4	-66.3	161.8	0	0	0	110.6	I202 S237 W238 L239 N244 H245	I202-I241 HydrophobicContact CB-CD1 4.48Å; I202-I241 HydrophobicContact CD1-CD1 4.01Å; I202-I241 HydrophobicContact CG1-CD1 4.1Å; I202-I241 HydrophobicContact CG2-CD1 3.56Å; I202-I241 HydrophobicContact CG2-CG1 4.29Å; S237-I241 WeakPolarHBondContact O-CG1 3.36Å; S237-I241 PolarHBondContact O-N 3.38Å; W238-I241 HydrophobicContact CE3-CD1 4.06Å; W238-I241 HydrophobicContact CZ3-CD1 4.44Å; W238-I241 WeakPolarHBondContact O-CB 3.3Å; W238-I241 PolarHBondContact O-N 3.29Å; L239-I241 PolarHBondContact O-N 3.12Å; I241-N244 PolarHBondContact O-N 2.8Å; I241-H245 PolarHBondContact O-CD2 3.01Å; I241-H245 PolarHBondContact O-N 3.26Å
242	Q	45.2	Very low	41.8	Very low	34 Å²	34	81.7 Å²	81.7	16%	0.159	44%	0.435	C	S	.	.	H	α-helix	trans	-64.5	-40.6	-179.5	-61.7	-70.2	-33.3	0	0	111.7	S217 W238 L239 H245 H246	S217-Q242 PolarHBondContact O-NE2 2.83Å; W238-Q242 PolarHBondContact O-N 2.92Å; W238-Q242 VanDerWaalsContact O-N 3.15Å; L239-Q242 PolarHBondContact O-N 2.87Å; Q242-H245 PolarHBondContact O-N 2.97Å; Q242-H246 PolarHBondContact O-N 2.95Å; Q242-H246 PolarHBondContact O-ND1 2.91Å
243	D	46.8	Very low	41	Very low	108 Å²	108	76.7 Å²	76.7	58%	0.578	42%	0.424	S	S	*	.	H	α-helix	trans	-65.9	-38.3	178.9	-64.1	-26.7	0	0	0	111.9	L239 H245 H246	L239-D243 PolarHBondContact O-N 2.93Å; D243-H245 VanDerWaalsContact C-N 3.31Å; D243-H245 PolarHBondContact O-N 2.89Å; D243-H246 PolarHBondContact O-N 3.26Å
244	N	43.2	Very low	40.3	Very low	117 Å²	117	85.3 Å²	85.3	63%	0.626	46%	0.464	S	S	*	.	H	α-helix	trans	-71.6	-22.8	175.9	-84.5	-56.2	0	0	0	113.3	G240 I241	G240-N244 PolarHBondContact O-ND2 2.87Å; I241-N244 PolarHBondContact O-N 2.8Å
245	H	41.2	Very low	39.7	Very low	72 Å²	72	91.8 Å²	91.8	33%	0.333	49%	0.491	S	S	.	.	H	α-helix	trans	-87.7	-5.7	176.5	-71.3	-47.1	0	0	0	114.3	I241 Q242 D243	I241-H245 PolarHBondContact O-CD2 3.01Å; I241-H245 PolarHBondContact O-N 3.26Å; Q242-H245 PolarHBondContact O-N 2.97Å; D243-H245 VanDerWaalsContact C-N 3.31Å; D243-H245 PolarHBondContact O-N 2.89Å
246	H	34.2	Very low	38.8	Very low	105 Å²	105	91.4 Å²	91.4	49%	0.486	49%	0.493	S	S	.	.	S	Bend	trans	-100.2	3.9	176.8	-78.6	81.4	0	0	0	114.6	Q242 D243 P248	Q242-H246 PolarHBondContact O-N 2.95Å; Q242-H246 PolarHBondContact O-ND1 2.91Å; D243-H246 PolarHBondContact O-N 3.26Å; H246-P248 VanDerWaalsContact O-CD 3.3Å; H246-P248 WeakPolarHBondContact O-CD 3.4Å
247	R	25.6	Very low	38	Very low	171 Å²	171	91.6 Å²	91.6	65%	0.645	50%	0.5	S	S	*	.			trans	-113	85.8	174.1	-68.3	-164.5	-174.1	-155	4.2	113.1	G249	R247-G249 PolarHBondContact O-N 3.02Å; R247-G249 VanDerWaalsContact O-N 3.15Å
248	P	24.1	Very low	37.3	Very low	123 Å²	123	94.8 Å²	94.8	80%	0.799	53%	0.528	S	S	*	.	S	Bend	trans	-71.3	100.8	156.5	30.7	-29.8	0	0	0	108.6	H246	H246-P248 VanDerWaalsContact O-CD 3.3Å; H246-P248 WeakPolarHBondContact O-CD 3.4Å
249	G	25.3	Very low	36.4	Very low	74 Å²	74	104 Å²	104	76%	0.763	56%	0.563	S	S	*	*			trans	59.8	85.2	166	0	0	0	0	0	116.5	R247	R247-G249 PolarHBondContact O-N 3.02Å; R247-G249 VanDerWaalsContact O-N 3.15Å
250	Q	26.9	Very low	35.4	Very low	114 Å²	114	111 Å²	111	53%	0.533	58%	0.584	S	S	.	*			trans	-133.4	87.7	156.4	-148.6	175.3	3.7	0	0	111.5
251	V	28.8	Very low	34.3	Very low	126 Å²	126	115 Å²	115	76%	0.764	61%	0.607	S	S	*	*			trans	-57.6	139.1	155.6	178	0	0	0	0	108.1
252	D	28.3	Very low	33.6	Very low	81 Å²	81	126 Å²	126	43%	0.433	65%	0.648	S	S	.	*			trans	49	69.8	169.5	-57.3	-6	0	0	0	117.1	E254 K255	D252-E254 PolarHBondContact O-N 2.98Å; D252-E254 VanDerWaalsContact O-N 3.14Å; D252-K255 HydrophobicContact CB-CB 4.19Å; D252-K255 HydrophobicContact CB-CD 3.86Å; D252-K255 HydrophobicContact CB-CG 4.07Å; D252-K255 PolarHBondContact O-N 3.47Å; D252-K255 WeakPolarHBondContact OD2-CD 3.15Å; D252-K255 WeakPolarHBondContact OD2-CE 3.29Å; D252-K255 IonicContact OD2-NZ 2.67Å; D252-K255 PolarHBondContact OD2-NZ 3.31Å
253	A	28.6	Very low	33.1	Very low	55 Å²	55	136.2 Å²	136.2	46%	0.455	69%	0.685	S	S	.	*	G	3₁₀ helix	trans	-58.4	-22	169.1	0	0	0	0	0	113.6	K255	A253-K255 VanDerWaalsContact C-N 3.35Å
254	E	32.4	Very low	32.5	Very low	183 Å²	183	139.2 Å²	139.2	86%	0.855	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-72.5	-21.6	175.2	-68.2	-175.4	140.9	0	0	113.7	D252	D252-E254 PolarHBondContact O-N 2.98Å; D252-E254 VanDerWaalsContact O-N 3.14Å
255	K	35.9	Very low	32	Very low	154 Å²	154	139.3 Å²	139.3	67%	0.67	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-81.3	-13.6	-180	-76.9	176.7	-176.9	155	0	114.4	D252 A253	D252-K255 HydrophobicContact CB-CB 4.19Å; D252-K255 HydrophobicContact CB-CD 3.86Å; D252-K255 HydrophobicContact CB-CG 4.07Å; D252-K255 PolarHBondContact O-N 3.47Å; D252-K255 WeakPolarHBondContact OD2-CD 3.15Å; D252-K255 WeakPolarHBondContact OD2-CE 3.29Å; D252-K255 IonicContact OD2-NZ 2.67Å; D252-K255 PolarHBondContact OD2-NZ 3.31Å; A253-K255 VanDerWaalsContact C-N 3.35Å
256	F	31.6	Very low	31.8	Very low	149 Å²	149	143 Å²	143	65%	0.654	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-17.7	-177.1	-128	-91.2	0	0	0	114.6	A258	F256-A258 PolarHBondContact O-N 3.25Å
257	A	34.3	Very low	31.9	Very low	87 Å²	87	143.9 Å²	143.9	72%	0.719	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-64.9	-24.5	-179.4	0	0	0	0	0	113.7	R259	A257-R259 PolarHBondContact O-N 2.93Å
258	A	37.4	Very low	32.3	Very low	91 Å²	91	141.5 Å²	141.5	75%	0.752	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-81	-3.5	-172.4	0	0	0	0	0	116	F256	F256-A258 PolarHBondContact O-N 3.25Å
259	R	35.1	Very low	32.9	Very low	225 Å²	225	142.1 Å²	142.1	85%	0.849	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-115.1	-0.4	-167.5	-89.9	-175.5	173.1	-178.9	-1.7	117.7	A257	A257-R259 PolarHBondContact O-N 2.93Å
260	R	32.6	Very low	33.3	Very low	230 Å²	230	141.9 Å²	141.9	87%	0.868	75%	0.747	S	S	*	*			trans	-119.4	11.6	-178.1	-100.5	-177.4	-179.5	166.1	0.8	116.9	R262	R260-R262 VanDerWaalsContact C-N 3.3Å; R260-R262 PolarHBondContact O-N 3.26Å
261	S	31.8	Very low	33.4	Very low	112 Å²	112	144.6 Å²	144.6	78%	0.783	77%	0.766	S	S	*	*			trans	-71.3	88.7	159.3	-176.6	0	0	0	0	109.7
262	R	36.9	Very low	33.4	Very low	234 Å²	234	143.9 Å²	143.9	88%	0.883	77%	0.766	S	S	*	*			trans	178.5	133	158.6	-99.5	158.7	-153.7	-151.8	5.4	110.4	R260	R260-R262 VanDerWaalsContact C-N 3.3Å; R260-R262 PolarHBondContact O-N 3.26Å
263	R	34	Very low	33.5	Very low	250 Å²	250	147.9 Å²	147.9	94%	0.943	79%	0.787	S	S	*	*			trans	79	82.9	169.7	-61.7	-172.3	173	-177.9	-3.2	117
264	Q	33.8	Very low	33.2	Very low	170 Å²	170	153.9 Å²	153.9	79%	0.794	81%	0.806	S	S	*	*			trans	-64	169.1	152	-127.3	174.5	-58.7	0	0	112.9
265	D	33.5	Very low	32.8	Very low	120 Å²	120	150.5 Å²	150.5	64%	0.642	80%	0.799	S	S	*	*			trans	96.9	136.2	144.8	-60.7	-18.3	0	0	0	123.6
266	N	36.4	Very low	32.3	Very low	148 Å²	148	148.1 Å²	148.1	79%	0.791	80%	0.802	S	S	*	*			trans	79.3	98.8	153.2	-59.3	-26.7	0	0	0	121.3
267	S	36	Very low	31.9	Very low	125 Å²	125	152.5 Å²	152.5	87%	0.874	81%	0.814	S	S	*	*				179.2	158.6	100.9	42.2	0	0	0	0	112.9
268	S	35.3	Very low	31.5	Very low	120 Å²	120	156.4 Å²	156.4	84%	0.839	82%	0.822	S	S	*	*			trans	-99.1	170.3	-163	-75.9	0	0	0	0	114.3
269	P	36.7	Very low	30.7	Very low	136 Å²	136	154.8 Å²	154.8	88%	0.883	81%	0.814	S	S	*	*			trans	-94.8	157.1	-149.5	36.7	-36.7	0	0	0	115.9
270	G	32.3	Very low	30.1	Very low	69 Å²	69	152.7 Å²	152.7	71%	0.711	81%	0.814	S	S	*	*			trans	-155.4	129.7	171.6	0	0	0	0	0	114
271	N	29.1	Very low	29.6	Very low	172 Å²	172	150 Å²	150	92%	0.92	82%	0.816	S	S	*	*			trans	28.8	104.3	156.9	-62.1	-16.3	0	0	0	119.5
272	S	29.6	Very low	29.2	Very low	111 Å²	111	154.2 Å²	154.2	78%	0.776	82%	0.82	S	S	*	*			trans	-138.9	111.6	150.7	69.3	0	0	0	0	112.2
273	L	29.6	Very low	28.5	Very low	164 Å²	164	149 Å²	149	86%	0.859	81%	0.81	S	S	*	*			trans	14.5	118.5	147.4	-68.4	133.1	0	0	0	117.4	P275	L273-P275 VanDerWaalsContact O-CD 3.24Å; L273-P275 WeakPolarHBondContact O-CD 3.39Å
274	Q	22.9	Very low	28	Very low	182 Å²	182	143 Å²	143	85%	0.85	80%	0.801	S	S	*	*			trans	-66.3	124.2	166.7	-68.1	-166.2	3.4	0	0	111.4
275	P	25.1	Very low	27.5	Very low	112 Å²	112	141.8 Å²	141.8	73%	0.727	80%	0.8	S	S	*	*			trans	-90.7	125.9	161.3	2.7	18.7	0	0	0	109.2	L273	L273-P275 VanDerWaalsContact O-CD 3.24Å; L273-P275 WeakPolarHBondContact O-CD 3.39Å
276	S	24.9	Very low	27.1	Very low	103 Å²	103	140.5 Å²	140.5	72%	0.72	80%	0.801	S	S	*	*			trans	10.8	113	160.8	48.1	0	0	0	0	117.7	L278	S276-L278 PolarHBondContact O-N 3.15Å
277	R	23.7	Very low	26.5	Very low	241 Å²	241	139.2 Å²	139.2	91%	0.909	80%	0.798	S	S	*	*			trans	-53.2	92.5	168.4	-70.2	-178.5	178.4	-177.5	-1.8	111.3	G279	R277-G279 VanDerWaalsContact C-N 3.3Å
278	L	24.5	Very low	25.8	Very low	170 Å²	170	143.6 Å²	143.6	89%	0.89	80%	0.795	S	S	*	*			trans	-103.6	49.1	168.5	-130.8	162.7	0	0	0	108.8	S276	S276-L278 PolarHBondContact O-N 3.15Å
279	G	21.2	Very low	25.2	Very low	56 Å²	56	142.9 Å²	142.9	58%	0.577	78%	0.781	S	S	*	*			trans	-87.2	148	171.4	0	0	0	0	0	110.4	R277	R277-G279 VanDerWaalsContact C-N 3.3Å
280	E	22.5	Very low	24.6	Very low	181 Å²	181	140.3 Å²	140.3	85%	0.846	76%	0.763	S	S	*	*			trans	61.9	80.5	155.7	-61.5	169.2	-169.5	0	0	116.3
281	L	22.6	Very low	24.1	Very low	175 Å²	175	138.2 Å²	138.2	92%	0.916	74%	0.737	S	S	*	*			trans	-118.6	54.8	149.7	-125.4	95.5	0	0	0	111.1
282	F	21.9	Very low	24	Very low	200 Å²	200	135.1 Å²	135.1	88%	0.877	72%	0.715	S	S	*	*			trans	-90.8	91.3	156.2	-77.4	-81.3	0	0	0	107.7
283	D	23.7	Very low	23.7	Very low	124 Å²	124	130 Å²	130	66%	0.663	68%	0.679	S	S	*	*			trans	-116.1	95.9	170.2	-166.5	-3.3	0	0	0	110	N285	D283-N285 PolarHBondContact O-N 3.22Å; D283-N285 PolarHBondContact OD1-N 3.38Å
284	T	23.8	Very low	23.4	Very low	124 Å²	124	122.4 Å²	122.4	76%	0.761	64%	0.64	S	S	*	*			trans	-95.6	59.3	177.3	52.7	0	0	0	0	110.8
285	N	23	Very low	23.5	Very low	144 Å²	144	114.8 Å²	114.8	77%	0.77	61%	0.605	S	S	*	*			trans	-163	92.7	166.8	-92	-34.7	0	0	0	112.6	D283	D283-N285 PolarHBondContact O-N 3.22Å; D283-N285 PolarHBondContact OD1-N 3.38Å
286	S	24.5	Very low	23.4	Very low	93 Å²	93	110.9 Å²	110.9	65%	0.65	58%	0.578	S	S	*	*			trans	-167.2	100.2	159.7	34.7	0	0	0	0	114
287	V	22.9	Very low	23.4	Very low	121 Å²	121	107.2 Å²	107.2	73%	0.733	55%	0.552	S	S	*	*			trans	-104.7	126.7	152.5	178.6	0	0	0	0	106.1
288	R	22.3	Very low	23.3	Very low	218 Å²	218	101.8 Å²	101.8	82%	0.823	53%	0.532	S	S	*	.			trans	-125.3	135.4	174	-66.4	-169.8	-173.6	-169.5	3	109.5
289	L	23	Very low	23.4	Very low	104 Å²	104	94.9 Å²	94.9	55%	0.545	50%	0.502	S	S	.	.			trans	-68.7	159.9	168.5	-73	157.7	0	0	0	110	D425	L289-D425 WeakPolarHBondContact CB-OD1 3.34Å; L289-D425 WeakPolarHBondContact CB-OD2 3.44Å; L289-D425 WeakPolarHBondContact CD1-OD1 3.48Å
290	V	23.1	Very low	23.4	Very low	83 Å²	83	103.1 Å²	103.1	50%	0.503	52%	0.515	S	S	.	.			trans	-115.8	119.2	-177.1	-176.3	0	0	0	0	108.6	F292	V290-F292 WeakPolarHBondContact O-CD2 3.32Å; V290-F292 VanDerWaalsContact O-CE2 3.27Å; V290-F292 WeakPolarHBondContact O-CE2 3.32Å
291	P	23.2	Very low	23.6	Very low	24 Å²	24	101.1 Å²	101.1	16%	0.156	50%	0.504	C	S	.	.			trans	-80	146	-175.7	32.3	-36	0	0	0	112.4	P394 A395 V424	P291-P394 HydrophobicContact CG-CB 4.18Å; P291-A395 HydrophobicContact CB-CB 3.87Å; P291-A395 HydrophobicContact CG-CB 4.33Å; P291-V424 HydrophobicContact CB-CB 4.43Å; P291-V424 HydrophobicContact CB-CG1 4.32Å; P291-V424 HydrophobicContact CB-CG2 4.42Å
292	F	25.2	Very low	23.6	Very low	107 Å²	107	99.8 Å²	99.8	47%	0.469	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	160.5	-176.2	-62	-94.2	0	0	0	112.5	V290 A395 K423	V290-F292 WeakPolarHBondContact O-CD2 3.32Å; V290-F292 VanDerWaalsContact O-CE2 3.27Å; V290-F292 WeakPolarHBondContact O-CE2 3.32Å; F292-A395 WeakPolarHBondContact O-CB 3.46Å; F292-K423 HydrophobicContact CB-CB 4.01Å; F292-K423 PolarHBondContact N-O 3.5Å; F292-K423 CarbonylContact O-C 3.51Å; F292-K423 VanDerWaalsContact O-CA 3.24Å; F292-K423 WeakPolarHBondContact O-CA 3.39Å; F292-K423 VanDerWaalsContact O-CB 3.29Å; F292-K423 WeakPolarHBondContact O-CB 3.49Å; F292-K423 PolarHBondContact O-N 3.16Å
293	L	23.5	Very low	23.7	Very low	4 Å²	4	94.8 Å²	94.8	2%	0.021	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.3	173.7	-172.9	83.6	0	0	0	110.6	I295 V378 A395 Y399 L402 P422	L293-I295 HydrophobicContact CD2-CD1 4.33Å; L293-I295 HydrophobicContact CD2-CG1 4.13Å; L293-V378 PolarHBondContact N-O 3.19Å; L293-V378 PolarHBondContact O-N 2.99Å; L293-A395 HydrophobicContact CB-CB 4.47Å; L293-Y399 HydrophobicContact CD1-CD2 4.2Å; L293-Y399 HydrophobicContact CD1-CG 4.47Å; L293-L402 HydrophobicContact CD2-CD1 3.32Å; L293-P422 HydrophobicContact CD1-CB 4.37Å
294	S	24.4	Very low	23.6	Very low	5 Å²	5	93.2 Å²	93.2	4%	0.035	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.4	166.8	36.5	0	0	0	0	111.2	A421 K423	S294-A421 PolarHBondContact N-O 3.26Å; S294-A421 PolarHBondContact O-N 3.02Å; S294-A421 VanDerWaalsContact O-O 3.1Å; S294-A421 PolarHBondContact OG-O 2.95Å; S294-K423 WeakPolarHBondContact OG-CE 3.36Å
295	I	25	Very low	23.6	Very low	22 Å²	22	93.4 Å²	93.4	11%	0.113	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126.5	175.1	-53.5	-169.5	0	0	0	107	L293 V376 V378 V417 L420	L293-I295 HydrophobicContact CD2-CD1 4.33Å; L293-I295 HydrophobicContact CD2-CG1 4.13Å; I295-V376 PolarHBondContact N-O 2.91Å; I295-V376 PolarHBondContact O-N 3.45Å; I295-V378 HydrophobicContact CD1-CB 4.24Å; I295-V378 HydrophobicContact CD1-CG2 3.76Å; I295-V378 HydrophobicContact CG1-CG2 4.18Å; I295-V417 HydrophobicContact CG2-CB 4.15Å; I295-V417 HydrophobicContact CG2-CG1 3.51Å; I295-V417 HydrophobicContact CG2-CG2 3.54Å; I295-L420 HydrophobicContact CB-CD2 4.12Å; I295-L420 HydrophobicContact CD1-CD2 4.22Å; I295-L420 HydrophobicContact CG1-CD2 3.74Å; I295-L420 HydrophobicContact CG2-CD2 3.89Å
296	L	23.4	Very low	23.5	Very low	30 Å²	30	93.4 Å²	93.4	16%	0.157	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.3	177.1	-100.2	115	0	0	0	110.2	Y298 C374 E375 D418 D419	L296-Y298 HydrophobicContact CD2-CD2 4.44Å; L296-Y298 HydrophobicContact CD2-CE2 3.59Å; L296-C374 WeakPolarHBondContact CA-O 3.48Å; L296-E375 HydrophobicContact CD1-CG 4.25Å; L296-E375 HydrophobicContact CG-CB 4.4Å; L296-E375 HydrophobicContact CG-CG 4.37Å; L296-D418 PolarHBondContact O-N 3.36Å; L296-D419 HydrophobicContact CB-CB 4.02Å; L296-D419 PolarHBondContact N-O 2.92Å; L296-D419 PolarHBondContact O-N 2.83Å; L296-D419 VanDerWaalsContact O-N 3.1Å
297	C	24	Very low	23.5	Very low	26 Å²	26	93.5 Å²	93.5	18%	0.176	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	128.7	178.8	-65.1	0	0	0	0	110.8	C374 S416	C297-C374 HydrophobicContact CB-CB 4.49Å; C297-C374 PolarHBondContact N-O 2.78Å; C297-C374 PolarHBondContact O-N 3.04Å; C297-C374 VanDerWaalsContact O-N 3.07Å; C297-S416 WeakPolarHBondContact CA-O 3.27Å; C297-S416 WeakPolarHBondContact CB-O 3.38Å; C297-S416 PolarHBondContact SG-O 3.33Å
298	Y	22.2	Very low	23.4	Very low	127 Å²	127	92.7 Å²	92.7	50%	0.498	50%	0.5	S	S	.	.			trans	-130	41.3	177.1	-77.3	-74.2	0	0	0	111.6	L296 R300 G373 S416 D418	L296-Y298 HydrophobicContact CD2-CD2 4.44Å; L296-Y298 HydrophobicContact CD2-CE2 3.59Å; Y298-R300 PolarHBondContact O-N 2.89Å; Y298-G373 VanDerWaalsContact CE1-CA 3.49Å; Y298-S416 PolarHBondContact N-O 3.12Å; Y298-D418 WeakPolarHBondContact CA-OD2 3.4Å; Y298-D418 WeakPolarHBondContact CB-OD2 2.99Å; Y298-D418 HydrophobicContact CD2-CB 4.32Å; Y298-D418 PolarHBondContact N-OD2 3.43Å
299	G	25.2	Very low	23.6	Very low	24 Å²	24	91.3 Å²	91.3	25%	0.247	50%	0.503	C	S	.	.			trans	-71.4	122	179	0	0	0	0	0	115.1	F301	G299-F301 PolarHBondContact O-N 3.36Å; G299-F301 VanDerWaalsContact O-N 3.12Å
300	R	23	Very low	23.6	Very low	229 Å²	229	90.8 Å²	90.8	86%	0.864	51%	0.507	S	S	*	.			trans	-66.3	100.4	154.6	-88.9	-177.6	169	169.3	-5.2	108.9	Y298 D302	Y298-R300 PolarHBondContact O-N 2.89Å; R300-D302 PolarHBondContact O-N 2.63Å
301	F	25.7	Very low	23.6	Very low	140 Å²	140	91 Å²	91	61%	0.614	53%	0.525	S	S	*	.			trans	-86.8	96.5	167.8	-77.8	-82.5	0	0	0	110.4	G299 A303 S416	G299-F301 PolarHBondContact O-N 3.36Å; G299-F301 VanDerWaalsContact O-N 3.12Å; F301-A303 PolarHBondContact O-N 3.3Å; F301-S416 VanDerWaalsContact CZ-OG 3.29Å; F301-S416 WeakPolarHBondContact CZ-OG 3.24Å
302	D	23.4	Very low	23.7	Very low	147 Å²	147	96 Å²	96	79%	0.786	55%	0.551	S	S	*	*			trans	-67	122.7	158.7	-75.3	-42.5	0	0	0	108.5	R300 A304	R300-D302 PolarHBondContact O-N 2.63Å; D302-A304 PolarHBondContact O-N 3.38Å
303	A	22.9	Very low	23.6	Very low	95 Å²	95	99 Å²	99	79%	0.785	57%	0.566	S	S	*	*	S	Bend	trans	-79.2	88.4	-169	0	0	0	0	0	111.7	F301	F301-A303 PolarHBondContact O-N 3.3Å
304	A	21.1	Very low	23.8	Very low	91 Å²	91	105.8 Å²	105.8	75%	0.752	60%	0.601	S	S	*	*			trans	-149.2	62.2	172.5	0	0	0	0	0	112.5	D302	D302-A304 PolarHBondContact O-N 3.38Å
305	V	24	Very low	23.9	Very low	128 Å²	128	111.5 Å²	111.5	78%	0.776	63%	0.631	S	S	*	*			trans	-125.4	93.7	165	-175.2	0	0	0	0	109.4	V307	V305-V307 HydrophobicContact CG1-CG2 4.04Å; V305-V307 PolarHBondContact O-N 2.78Å; V305-V307 VanDerWaalsContact O-N 3.15Å
306	T	20.7	Very low	24.2	Very low	144 Å²	144	115.5 Å²	115.5	88%	0.883	66%	0.661	S	S	*	*			trans	-70.8	97.9	170.5	26.4	0	0	0	0	110.3	S308	T306-S308 VanDerWaalsContact C-N 3.28Å; T306-S308 PolarHBondContact O-N 2.87Å
307	V	25.1	Very low	24.7	Very low	94 Å²	94	119.1 Å²	119.1	57%	0.57	68%	0.68	S	S	*	*			trans	-83.3	76.7	170	-172.8	0	0	0	0	109.6	V305	V305-V307 HydrophobicContact CG1-CG2 4.04Å; V305-V307 PolarHBondContact O-N 2.78Å; V305-V307 VanDerWaalsContact O-N 3.15Å
308	S	21.5	Very low	25.2	Very low	104 Å²	104	128.2 Å²	128.2	73%	0.727	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	139.3	160.3	176.6	0	0	0	0	109.4	T306	T306-S308 VanDerWaalsContact C-N 3.28Å; T306-S308 PolarHBondContact O-N 2.87Å
309	E	25	Very low	26.2	Very low	189 Å²	189	127.5 Å²	127.5	88%	0.883	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	99	-4	177.7	-56.6	-172.3	163.7	0	0	118.8
310	C	24.4	Very low	27.1	Very low	94 Å²	94	129.1 Å²	129.1	64%	0.635	72%	0.718	S	S	*	*	S	Bend	trans	-127.1	114.9	167.4	-74.6	0	0	0	0	110.4	L312	C310-L312 VanDerWaalsContact C-N 3.32Å; C310-L312 PolarHBondContact O-N 3.33Å
311	G	23	Very low	28	Very low	86 Å²	86	128.2 Å²	128.2	89%	0.887	72%	0.72	S	S	*	*			trans	-74.1	64.8	-164.3	0	0	0	0	0	116.6
312	L	24.8	Very low	28.9	Very low	131 Å²	131	127.8 Å²	127.8	69%	0.686	73%	0.725	S	S	*	*			trans	-126.1	89.9	169.5	-72.4	171.5	0	0	0	110	C310	C310-L312 VanDerWaalsContact C-N 3.32Å; C310-L312 PolarHBondContact O-N 3.33Å
313	H	23.8	Very low	29.5	Very low	170 Å²	170	123 Å²	123	79%	0.787	71%	0.71	S	S	*	*			trans	-72.5	123.5	166.8	-94.4	-90.3	0	0	0	109.8	D315	H313-D315 IonicContact CE1-OD2 3.14Å; H313-D315 PolarHBondContact CE1-OD2 3.3Å; H313-D315 IonicContact CG-OD2 2.98Å; H313-D315 IonicContact ND1-OD2 3.85Å; H313-D315 PolarHBondContact ND1-OD2 3.48Å
314	L	27.7	Very low	30.2	Very low	146 Å²	146	123 Å²	123	76%	0.764	70%	0.697	S	S	*	*			trans	-129.8	49.8	170.4	-106	157.9	0	0	0	110.3	S316	L314-S316 PolarHBondContact O-N 3.02Å
315	D	26.4	Very low	31	Very low	125 Å²	125	126.2 Å²	126.2	67%	0.668	69%	0.69	S	S	*	*			trans	-74	96.9	171.1	-68.9	-56.6	0	0	0	110.7	H313	H313-D315 IonicContact CE1-OD2 3.14Å; H313-D315 PolarHBondContact CE1-OD2 3.3Å; H313-D315 IonicContact CG-OD2 2.98Å; H313-D315 IonicContact ND1-OD2 3.85Å; H313-D315 PolarHBondContact ND1-OD2 3.48Å
316	S	30.2	Very low	31.6	Very low	105 Å²	105	125.3 Å²	125.3	73%	0.734	68%	0.678	S	S	*	*			trans	176.2	93	144.7	34.9	0	0	0	0	113.4	L314	L314-S316 PolarHBondContact O-N 3.02Å
317	L	35.5	Very low	32.4	Very low	107 Å²	107	122.5 Å²	122.5	56%	0.56	67%	0.67	S	S	*	*			trans	-99.4	108.6	155.6	-87.7	163.8	0	0	0	108.7	L319	L317-L319 PolarHBondContact O-N 3.34Å
318	R	34.7	Very low	33	Very low	217 Å²	217	122.9 Å²	122.9	82%	0.819	66%	0.662	S	S	*	*			trans	-77	112.3	172.6	-78.5	-177.1	173.6	170	-0.7	109.8
319	L	42.4	Very low	33.6	Very low	111 Å²	111	129.2 Å²	129.2	58%	0.581	67%	0.67	S	S	*	*	B	Isolated β-bridge	trans	-78	151.8	162.2	-59.8	173.2	0	0	0	109.3	L317	L317-L319 PolarHBondContact O-N 3.34Å
320	D	44.9	Very low	34.1	Very low	59 Å²	59	124.8 Å²	124.8	32%	0.316	65%	0.652	S	S	.	*			trans	-74.8	-179.3	162.8	72.9	18.1	0	0	0	111.5	D322 G323 N324 M326	D320-D322 PolarHBondContact O-N 2.9Å; D320-D322 WeakPolarHBondContact OD1-CA 3.29Å; D320-D322 PolarHBondContact OD1-N 3.38Å; D320-G323 PolarHBondContact O-N 3.42Å; D320-G323 PolarHBondContact OD1-N 2.94Å; D320-G323 VanDerWaalsContact OD1-N 3.13Å; D320-N324 PolarHBondContact N-O 2.85Å; D320-N324 PolarHBondContact OD1-N 2.67Å; D320-N324 WeakPolarHBondContact OD2-CB 2.91Å; D320-M326 HydrophobicContact CB-CG 4.43Å
321	K	41	Very low	34.4	Very low	209 Å²	209	126.3 Å²	126.3	91%	0.909	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-19.1	-175.7	-51.1	179.4	-169.8	176.8	0	112.9
322	D	44.4	Very low	34.8	Very low	132 Å²	132	131.3 Å²	131.3	71%	0.706	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	7.4	-174.4	-54.3	-57.4	0	0	0	111.3	D320 N324	D320-D322 PolarHBondContact O-N 2.9Å; D320-D322 WeakPolarHBondContact OD1-CA 3.29Å; D320-D322 PolarHBondContact OD1-N 3.38Å; D322-N324 VanDerWaalsContact C-N 3.3Å; D322-N324 WeakPolarHBondContact CB-ND2 3.24Å; D322-N324 PolarHBondContact O-N 3.29Å
323	G	36.7	Very low	35.2	Very low	47 Å²	47	130.2 Å²	130.2	49%	0.485	64%	0.637	S	S	.	*	S	Bend	trans	78.2	7.8	179.4	0	0	0	0	0	114.5	D320	D320-G323 PolarHBondContact O-N 3.42Å; D320-G323 PolarHBondContact OD1-N 2.94Å; D320-G323 VanDerWaalsContact OD1-N 3.13Å
324	N	38	Very low	35.7	Very low	95 Å²	95	126.7 Å²	126.7	51%	0.508	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-83.5	150.1	178.3	-57.5	-72.5	0	0	0	111	D320 D322 M326	D320-N324 PolarHBondContact N-O 2.85Å; D320-N324 PolarHBondContact OD1-N 2.67Å; D320-N324 WeakPolarHBondContact OD2-CB 2.91Å; D322-N324 VanDerWaalsContact C-N 3.3Å; D322-N324 WeakPolarHBondContact CB-ND2 3.24Å; D322-N324 PolarHBondContact O-N 3.29Å; N324-M326 PolarHBondContact O-N 3.39Å
325	R	38.1	Very low	35.9	Very low	158 Å²	158	124.5 Å²	124.5	60%	0.596	61%	0.61	S	S	*	*	B	Isolated β-bridge	trans	-71.6	121.6	170.8	-72.3	-174.1	177.3	-169.6	-0.9	109.1	A327	R325-A327 PolarHBondContact O-N 3.23Å
326	M	35.4	Very low	36.3	Very low	108 Å²	108	123.8 Å²	123.8	53%	0.532	61%	0.605	S	S	.	*	P	Polyproline II helix	trans	-59.7	132.8	164.1	-77.1	-173.7	53.4	0	0	109.8	D320 N324	D320-M326 HydrophobicContact CB-CG 4.43Å; N324-M326 PolarHBondContact O-N 3.39Å
327	A	37.9	Very low	36.6	Very low	86 Å²	86	123.1 Å²	123.1	71%	0.711	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-64.6	137.6	168.2	0	0	0	0	0	109.8	R325 R329	R325-A327 PolarHBondContact O-N 3.23Å; A327-R329 PolarHBondContact O-N 3.05Å
328	Y	37.8	Very low	36.6	Very low	102 Å²	102	122 Å²	122	40%	0.4	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-56.3	128.2	176.7	-67.9	-67.4	0	0	0	110.4	E333 H337	Y328-E333 HydrophobicContact CD1-CB 3.42Å; Y328-E333 VanDerWaalsContact CD1-CB 3.42Å; Y328-E333 HydrophobicContact CD1-CG 4.44Å; Y328-E333 WeakPolarHBondContact CD1-OE2 3.37Å; Y328-E333 HydrophobicContact CE1-CB 3.79Å; Y328-E333 HydrophobicContact CG-CB 4.33Å; Y328-H337 PolarHBondContact OH-CD2 3.1Å; Y328-H337 PolarHBondContact OH-NE2 3.27Å
329	R	34.8	Very low	36.7	Very low	237 Å²	237	116 Å²	116	89%	0.894	57%	0.567	S	S	*	*			trans	-91.8	-7.9	-178	-104.6	-171.9	179.5	-164.2	0.9	113.9	A327	A327-R329 PolarHBondContact O-N 3.05Å
330	D	34	Very low	36.4	Very low	95 Å²	95	112.6 Å²	112.6	51%	0.508	56%	0.555	S	S	.	*	S	Bend	trans	-152.5	130.8	-166.6	-168.2	-20.6	0	0	0	109.9	R332 E333	D330-R332 PolarHBondContact O-N 2.86Å; D330-R332 PolarHBondContact OD1-N 3.01Å; D330-E333 PolarHBondContact O-N 3.39Å; D330-E333 VanDerWaalsContact O-N 3.08Å
331	D	31	Very low	36.2	Very low	127 Å²	127	114.3 Å²	114.3	68%	0.679	56%	0.561	S	S	*	*	H	α-helix	trans	-53.6	-22.6	-179.1	-59.9	-19.2	0	0	0	112.7	L335	D331-L335 PolarHBondContact O-N 3.04Å; D331-L335 VanDerWaalsContact O-N 3.12Å
332	R	31.2	Very low	36	Very low	190 Å²	190	112.2 Å²	112.2	72%	0.717	55%	0.548	S	S	*	.	H	α-helix	trans	-64.1	-38.1	176.7	-84.2	-175.2	165.9	-160.7	-2.1	114.5	D330 L336	D330-R332 PolarHBondContact O-N 2.86Å; D330-R332 PolarHBondContact OD1-N 3.01Å; R332-L336 WeakPolarHBondContact O-CG 3.16Å; R332-L336 PolarHBondContact O-N 3.21Å; R332-L336 VanDerWaalsContact O-N 3.12Å
333	E	34.5	Very low	35.6	Very low	108 Å²	108	111.2 Å²	111.2	51%	0.505	54%	0.54	S	S	.	.	H	α-helix	trans	-77.5	-32.5	-178.2	-69.1	-165.3	163.2	0	0	111.5	Y328 D330 L336 H337	Y328-E333 HydrophobicContact CD1-CB 3.42Å; Y328-E333 VanDerWaalsContact CD1-CB 3.42Å; Y328-E333 HydrophobicContact CD1-CG 4.44Å; Y328-E333 WeakPolarHBondContact CD1-OE2 3.37Å; Y328-E333 HydrophobicContact CE1-CB 3.79Å; Y328-E333 HydrophobicContact CG-CB 4.33Å; D330-E333 PolarHBondContact O-N 3.39Å; D330-E333 VanDerWaalsContact O-N 3.08Å; E333-L336 PolarHBondContact O-N 3.05Å; E333-H337 PolarHBondContact O-N 3.05Å
334	E	33.3	Very low	35.7	Very low	96 Å²	96	113 Å²	113	45%	0.449	54%	0.541	S	S	.	.	H	α-helix	trans	-63.9	-42.3	171.1	-168.2	170.9	-154	0	0	111.2	L336 H337 I338	E334-L336 PolarHBondContact O-N 2.87Å; E334-H337 PolarHBondContact O-N 2.72Å; E334-I338 HydrophobicContact CG-CD1 4.36Å; E334-I338 WeakPolarHBondContact O-CG1 3.46Å; E334-I338 PolarHBondContact O-N 3.25Å
335	L	31.8	Very low	35.7	Very low	100 Å²	100	110.6 Å²	110.6	52%	0.524	53%	0.528	S	S	.	.	H	α-helix	trans	-59.3	-42.5	172.2	-99.5	161.4	0	0	0	113.4	D331 H337 I338 I339	D331-L335 PolarHBondContact O-N 3.04Å; D331-L335 VanDerWaalsContact O-N 3.12Å; L335-H337 VanDerWaalsContact C-N 3.33Å; L335-I338 PolarHBondContact O-N 3.04Å; L335-I339 WeakPolarHBondContact O-CD1 3.42Å; L335-I339 VanDerWaalsContact O-CG1 3.29Å; L335-I339 WeakPolarHBondContact O-CG1 3.37Å; L335-I339 PolarHBondContact O-N 2.97Å
336	L	35.1	Very low	35.6	Very low	110 Å²	110	109.6 Å²	109.6	58%	0.576	53%	0.528	S	S	*	.	H	α-helix	trans	-63.2	-40	176.1	-78.6	163.1	0	0	0	111.7	R332 E333 E334 I339 A340	R332-L336 WeakPolarHBondContact O-CG 3.16Å; R332-L336 PolarHBondContact O-N 3.21Å; R332-L336 VanDerWaalsContact O-N 3.12Å; E333-L336 PolarHBondContact O-N 3.05Å; E334-L336 PolarHBondContact O-N 2.87Å; L336-I339 PolarHBondContact O-N 3.38Å; L336-A340 PolarHBondContact O-N 3Å
337	H	37	Very low	35.8	Very low	92 Å²	92	108.3 Å²	108.3	43%	0.426	52%	0.521	S	S	.	.	H	α-helix	trans	-65.9	-38.7	176.6	-130.1	-89.2	0	0	0	112.4	Y328 E333 E334 L335 H341	Y328-H337 PolarHBondContact OH-CD2 3.1Å; Y328-H337 PolarHBondContact OH-NE2 3.27Å; E333-H337 PolarHBondContact O-N 3.05Å; E334-H337 PolarHBondContact O-N 2.72Å; L335-H337 VanDerWaalsContact C-N 3.33Å; H337-H341 PolarHBondContact O-N 3.42Å; H337-H341 VanDerWaalsContact O-N 3.1Å
338	I	35.5	Very low	35.7	Very low	84 Å²	84	108.3 Å²	108.3	43%	0.431	51%	0.507	S	S	.	.	H	α-helix	trans	-64.4	-41.9	174.5	-68.7	164.2	0	0	0	111.2	E334 L335 H341 Y342	E334-I338 HydrophobicContact CG-CD1 4.36Å; E334-I338 WeakPolarHBondContact O-CG1 3.46Å; E334-I338 PolarHBondContact O-N 3.25Å; L335-I338 PolarHBondContact O-N 3.04Å; I338-H341 WeakPolarHBondContact O-CB 3.48Å; I338-H341 PolarHBondContact O-N 3.47Å; I338-Y342 PolarHBondContact O-N 2.95Å; I338-Y342 VanDerWaalsContact O-N 3.07Å
339	I	35.5	Very low	35.5	Very low	90 Å²	90	104.3 Å²	104.3	46%	0.462	49%	0.493	S	S	.	.	H	α-helix	trans	-63.6	-46.9	178	-69.8	163.7	0	0	0	110.8	L335 L336 H341 Y342 E343	L335-I339 WeakPolarHBondContact O-CD1 3.42Å; L335-I339 VanDerWaalsContact O-CG1 3.29Å; L335-I339 WeakPolarHBondContact O-CG1 3.37Å; L335-I339 PolarHBondContact O-N 2.97Å; L336-I339 PolarHBondContact O-N 3.38Å; I339-H341 VanDerWaalsContact C-N 3.3Å; I339-H341 PolarHBondContact O-N 3.47Å; I339-Y342 WeakPolarHBondContact O-CB 3.33Å; I339-Y342 PolarHBondContact O-N 3.31Å; I339-E343 PolarHBondContact O-N 3.49Å; I339-E343 VanDerWaalsContact O-N 3.1Å
340	A	37.3	Very low	35.5	Very low	39 Å²	39	95.8 Å²	95.8	32%	0.322	47%	0.466	S	S	.	.	H	α-helix	trans	-59.8	-39.5	176.8	0	0	0	0	0	112.3	L336 Y342 E343 V344	L336-A340 PolarHBondContact O-N 3Å; A340-Y342 VanDerWaalsContact C-N 3.31Å; A340-Y342 PolarHBondContact O-N 3.48Å; A340-E343 PolarHBondContact O-N 2.89Å; A340-V344 WeakPolarHBondContact O-CG2 3.47Å; A340-V344 PolarHBondContact O-N 3.14Å; A340-V344 VanDerWaalsContact O-N 3.16Å
341	H	40.2	Very low	35.5	Very low	95 Å²	95	99 Å²	99	44%	0.44	47%	0.471	S	S	.	.	H	α-helix	trans	-61.7	-38.8	173.9	-127.5	-124.4	0	0	0	112.2	H337 I338 I339 I345 F366	H337-H341 PolarHBondContact O-N 3.42Å; H337-H341 VanDerWaalsContact O-N 3.1Å; I338-H341 WeakPolarHBondContact O-CB 3.48Å; I338-H341 PolarHBondContact O-N 3.47Å; I339-H341 VanDerWaalsContact C-N 3.3Å; I339-H341 PolarHBondContact O-N 3.47Å; H341-I345 WeakPolarHBondContact O-CD1 3.35Å; H341-I345 VanDerWaalsContact O-CG1 3.28Å; H341-I345 WeakPolarHBondContact O-CG1 3.1Å; H341-I345 PolarHBondContact O-N 3.43Å; H341-I345 VanDerWaalsContact O-N 3.12Å; H341-F366 AromaticContact ND1-CZ 3.83Å
342	Y	35.8	Very low	35.4	Very low	165 Å²	165	97.6 Å²	97.6	65%	0.647	46%	0.463	S	S	*	.	H	α-helix	trans	-65.5	-39.4	178.1	-135.7	-88.3	0	0	0	112.3	I338 I339 A340 F346	I338-Y342 PolarHBondContact O-N 2.95Å; I338-Y342 VanDerWaalsContact O-N 3.07Å; I339-Y342 WeakPolarHBondContact O-CB 3.33Å; I339-Y342 PolarHBondContact O-N 3.31Å; A340-Y342 VanDerWaalsContact C-N 3.31Å; A340-Y342 PolarHBondContact O-N 3.48Å; Y342-F346 WeakPolarHBondContact O-CB 3.38Å; Y342-F346 PolarHBondContact O-N 3.16Å
343	E	36.7	Very low	35.3	Very low	112 Å²	112	93.4 Å²	93.4	52%	0.523	45%	0.451	S	S	.	.	H	α-helix	trans	-67.7	-42.2	176.9	-67.6	-167.7	155.2	0	0	112.3	I339 A340 I345 F346 E347	I339-E343 PolarHBondContact O-N 3.49Å; I339-E343 VanDerWaalsContact O-N 3.1Å; A340-E343 PolarHBondContact O-N 2.89Å; E343-I345 PolarHBondContact O-N 3.26Å; E343-F346 PolarHBondContact O-N 3.01Å; E343-E347 WeakPolarHBondContact O-CB 3.49Å; E343-E347 PolarHBondContact O-N 3.1Å
344	V	39.5	Very low	34.8	Very low	83 Å²	83	93.9 Å²	93.9	50%	0.503	47%	0.465	S	S	.	.	H	α-helix	trans	-63	-41.2	176.3	174.6	0	0	0	0	111.7	A340 E347 M348	A340-V344 WeakPolarHBondContact O-CG2 3.47Å; A340-V344 PolarHBondContact O-N 3.14Å; A340-V344 VanDerWaalsContact O-N 3.16Å; V344-E347 PolarHBondContact O-N 3.46Å; V344-M348 WeakPolarHBondContact O-CG 3.39Å; V344-M348 PolarHBondContact O-N 3.48Å
345	I	36.9	Very low	34.6	Very low	46 Å²	46	93.9 Å²	93.9	24%	0.236	48%	0.476	C	S	.	.	H	α-helix	trans	-66.7	-38.5	176.7	-67.5	166.2	0	0	0	111.1	H341 E343 M348 S349 F363 F366	H341-I345 WeakPolarHBondContact O-CD1 3.35Å; H341-I345 VanDerWaalsContact O-CG1 3.28Å; H341-I345 WeakPolarHBondContact O-CG1 3.1Å; H341-I345 PolarHBondContact O-N 3.43Å; H341-I345 VanDerWaalsContact O-N 3.12Å; E343-I345 PolarHBondContact O-N 3.26Å; I345-M348 PolarHBondContact O-N 2.63Å; I345-S349 WeakPolarHBondContact O-CB 3.5Å; I345-S349 PolarHBondContact O-N 2.79Å; I345-F363 HydrophobicContact CG2-CE1 4.3Å; I345-F363 HydrophobicContact CG2-CZ 4.47Å; I345-F366 HydrophobicContact CD1-CD2 4.15Å; I345-F366 HydrophobicContact CD1-CE2 3.77Å
346	F	36.2	Very low	34.3	Very low	136 Å²	136	94.4 Å²	94.4	60%	0.596	48%	0.476	S	S	*	.	H	α-helix	trans	-63.8	-42.1	175	-172.3	-98.6	0	0	0	111.9	Y342 E343 S349 N350	Y342-F346 WeakPolarHBondContact O-CB 3.38Å; Y342-F346 PolarHBondContact O-N 3.16Å; E343-F346 PolarHBondContact O-N 3.01Å; F346-S349 WeakPolarHBondContact O-CB 3.19Å; F346-S349 PolarHBondContact O-N 3.09Å; F346-N350 WeakPolarHBondContact CD1-ND2 3.28Å; F346-N350 VanDerWaalsContact CE1-ND2 3.25Å; F346-N350 WeakPolarHBondContact CE1-ND2 3.31Å; F346-N350 PolarHBondContact O-N 3.16Å; F346-N350 PolarHBondContact O-ND2 2.95Å
347	E	39.1	Very low	33.9	Very low	82 Å²	82	99.9 Å²	99.9	38%	0.383	50%	0.495	S	S	.	.	H	α-helix	trans	-65.3	-43.1	176.3	-176	62	-169.1	0	0	112	E343 V344 S349 N350 R351	E343-E347 WeakPolarHBondContact O-CB 3.49Å; E343-E347 PolarHBondContact O-N 3.1Å; V344-E347 PolarHBondContact O-N 3.46Å; E347-S349 VanDerWaalsContact C-N 3.33Å; E347-S349 PolarHBondContact O-N 2.91Å; E347-N350 PolarHBondContact O-N 2.87Å; E347-R351 WeakPolarHBondContact O-CG 3.43Å; E347-R351 PolarHBondContact O-N 2.94Å; E347-R351 IonicContact OE1-CZ 3.96Å; E347-R351 VanDerWaalsContact OE1-CZ 3.25Å; E347-R351 IonicContact OE1-NE 2.72Å; E347-R351 PolarHBondContact OE1-NE 2.84Å; E347-R351 IonicContact OE1-NH2 2.95Å; E347-R351 PolarHBondContact OE1-NH2 2.68Å
348	M	35.9	Very low	33.5	Very low	86 Å²	86	99.7 Å²	99.7	42%	0.424	50%	0.504	S	S	.	.	H	α-helix	trans	-59.8	-41.5	172.2	-75.9	-171.9	170.6	0	0	112.3	V344 I345 N350 R351 L352	V344-M348 WeakPolarHBondContact O-CG 3.39Å; V344-M348 PolarHBondContact O-N 3.48Å; I345-M348 PolarHBondContact O-N 2.63Å; M348-N350 VanDerWaalsContact C-N 3.34Å; M348-N350 PolarHBondContact O-N 3.3Å; M348-R351 PolarHBondContact O-N 3.11Å; M348-L352 WeakPolarHBondContact O-CG 3.36Å; M348-L352 PolarHBondContact O-N 3.31Å
349	S	34.7	Very low	33.5	Very low	17 Å²	17	101.2 Å²	101.2	12%	0.119	50%	0.504	C	S	.	.	H	α-helix	trans	-59.5	-42.6	175.4	-179.1	0	0	0	0	112.1	I345 F346 E347 Q353	I345-S349 WeakPolarHBondContact O-CB 3.5Å; I345-S349 PolarHBondContact O-N 2.79Å; F346-S349 WeakPolarHBondContact O-CB 3.19Å; F346-S349 PolarHBondContact O-N 3.09Å; E347-S349 VanDerWaalsContact C-N 3.33Å; E347-S349 PolarHBondContact O-N 2.91Å; S349-Q353 WeakPolarHBondContact O-CG 3.3Å; S349-Q353 PolarHBondContact O-N 3.25Å
350	N	35.3	Very low	33.5	Very low	58 Å²	58	98.1 Å²	98.1	31%	0.31	50%	0.495	S	S	.	.	H	α-helix	trans	-68.9	-43	178.3	-67.7	-29.5	0	0	0	111.9	F346 E347 M348 L352 Q353 C354	F346-N350 WeakPolarHBondContact CD1-ND2 3.28Å; F346-N350 VanDerWaalsContact CE1-ND2 3.25Å; F346-N350 WeakPolarHBondContact CE1-ND2 3.31Å; F346-N350 PolarHBondContact O-N 3.16Å; F346-N350 PolarHBondContact O-ND2 2.95Å; E347-N350 PolarHBondContact O-N 2.87Å; M348-N350 VanDerWaalsContact C-N 3.34Å; M348-N350 PolarHBondContact O-N 3.3Å; N350-L352 PolarHBondContact O-N 2.79Å; N350-Q353 PolarHBondContact O-N 2.94Å; N350-C354 PolarHBondContact O-N 3.37Å; N350-C354 VanDerWaalsContact O-N 3.14Å
351	R	33.5	Very low	33.2	Very low	162 Å²	162	99 Å²	99	61%	0.611	49%	0.493	S	S	*	.	H	α-helix	trans	-65	-38.2	179.6	-70.6	-179	-175.9	-135.4	-1.8	112.9	E347 M348 C354 S355	E347-R351 WeakPolarHBondContact O-CG 3.43Å; E347-R351 PolarHBondContact O-N 2.94Å; E347-R351 IonicContact OE1-CZ 3.96Å; E347-R351 VanDerWaalsContact OE1-CZ 3.25Å; E347-R351 IonicContact OE1-NE 2.72Å; E347-R351 PolarHBondContact OE1-NE 2.84Å; E347-R351 IonicContact OE1-NH2 2.95Å; E347-R351 PolarHBondContact OE1-NH2 2.68Å; M348-R351 PolarHBondContact O-N 3.11Å; R351-C354 PolarHBondContact O-N 3.47Å; R351-S355 PolarHBondContact O-N 3.41Å
352	L	28.7	Very low	32.9	Very low	98 Å²	98	99.9 Å²	99.9	51%	0.513	50%	0.496	S	S	.	.	H	α-helix	trans	-66.9	-36.4	174.6	-73.6	168.1	0	0	0	112.5	M348 N350 S355 L361	M348-L352 WeakPolarHBondContact O-CG 3.36Å; M348-L352 PolarHBondContact O-N 3.31Å; N350-L352 PolarHBondContact O-N 2.79Å; L352-S355 PolarHBondContact O-N 2.74Å; L352-L361 HydrophobicContact CB-CD1 4.09Å; L352-L361 HydrophobicContact CD1-CD1 3.95Å
353	Q	28.2	Very low	32.5	Very low	102 Å²	102	96 Å²	96	48%	0.477	48%	0.483	S	S	.	.	H	α-helix	trans	-66.5	-33.4	174.8	-73.7	179.9	25.2	0	0	113.1	S349 N350 S355	S349-Q353 WeakPolarHBondContact O-CG 3.3Å; S349-Q353 PolarHBondContact O-N 3.25Å; N350-Q353 PolarHBondContact O-N 2.94Å; Q353-S355 VanDerWaalsContact C-N 3.31Å; Q353-S355 PolarHBondContact O-N 2.89Å
354	C	25.2	Very low	32.1	Very low	119 Å²	119	94.5 Å²	94.5	80%	0.804	48%	0.481	S	S	*	.	H	α-helix	trans	-71.7	-20.9	176.2	-74.8	0	0	0	0	114	N350 R351	N350-C354 PolarHBondContact O-N 3.37Å; N350-C354 VanDerWaalsContact O-N 3.14Å; R351-C354 PolarHBondContact O-N 3.47Å
355	S	28.3	Very low	31.6	Very low	96 Å²	96	94.6 Å²	94.6	67%	0.671	48%	0.478	S	S	*	.	H	α-helix	trans	-84.8	-32.3	-174.1	-174.9	0	0	0	0	114.3	R351 L352 Q353	R351-S355 PolarHBondContact O-N 3.41Å; L352-S355 PolarHBondContact O-N 2.74Å; Q353-S355 VanDerWaalsContact C-N 3.31Å; Q353-S355 PolarHBondContact O-N 2.89Å
356	Q	26.2	Very low	31.2	Very low	111 Å²	111	95.4 Å²	95.4	52%	0.519	48%	0.481	S	S	.	.			trans	-126	112.5	179.8	-68.6	-162.1	-2.3	0	0	113.1	S358	Q356-S358 PolarHBondContact O-N 2.89Å
357	K	26.6	Very low	30.8	Very low	224 Å²	224	91 Å²	91	97%	0.974	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	17.5	-174.6	-102.9	179.3	178.6	175.2	0	117.3
358	S	28.7	Very low	30.1	Very low	88 Å²	88	92 Å²	92	62%	0.615	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-154.3	-6.4	-174.2	57.4	0	0	0	0	118.3	Q356	Q356-S358 PolarHBondContact O-N 2.89Å
359	R	34.8	Very low	29.7	Very low	117 Å²	117	93.3 Å²	93.3	44%	0.442	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132.4	-171.6	-72.4	179.4	166.7	164.4	-5.1	113.1	E382	R359-E382 IonicContact CZ-OE1 3.25Å; R359-E382 IonicContact NE-OE1 2.82Å; R359-E382 PolarHBondContact NE-OE1 3.45Å; R359-E382 IonicContact NH2-OE1 2.78Å; R359-E382 PolarHBondContact NH2-OE1 3.23Å
360	G	35.8	Very low	29.2	Very low	25 Å²	25	100.4 Å²	100.4	26%	0.258	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	110.7	-175.1	0	0	0	0	0	112.9	M381	G360-M381 PolarHBondContact N-O 3.07Å; G360-M381 PolarHBondContact O-N 2.93Å; G360-M381 VanDerWaalsContact O-O 3.11Å
361	L	30.2	Very low	28.9	Very low	56 Å²	56	106.7 Å²	106.7	29%	0.293	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	142.6	171	-81.4	151.1	0	0	0	111.2	L352 V378 I380	L352-L361 HydrophobicContact CB-CD1 4.09Å; L352-L361 HydrophobicContact CD1-CD1 3.95Å; L361-V378 HydrophobicContact CD2-CG1 3.75Å; L361-I380 HydrophobicContact CD2-CG1 4.32Å
362	K	34.1	Very low	29.3	Very low	115 Å²	115	105.7 Å²	105.7	50%	0.5	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	113.9	170.9	-140.9	-161.1	-174.3	-168.5	0	110.1	S379 M381	K362-S379 PolarHBondContact N-O 2.9Å; K362-S379 PolarHBondContact O-N 2.83Å; K362-S379 PolarHBondContact O-OG 2.87Å; K362-M381 HydrophobicContact CB-CE 3.92Å; K362-M381 HydrophobicContact CD-CE 3.73Å; K362-M381 HydrophobicContact CD-SD 3.98Å; K362-M381 HydrophobicContact CG-CE 3.87Å
363	F	28	Very low	29.8	Very low	84 Å²	84	101.3 Å²	101.3	37%	0.368	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	135.1	164.8	-63.2	-86	0	0	0	108.6	I345 V376 V378	I345-F363 HydrophobicContact CG2-CE1 4.3Å; I345-F363 HydrophobicContact CG2-CZ 4.47Å; F363-V376 HydrophobicContact CD1-CG1 4Å; F363-V376 HydrophobicContact CE1-CG1 4.16Å; F363-V378 HydrophobicContact CD1-CG2 4.41Å; F363-V378 HydrophobicContact CE1-CG2 4.34Å
364	V	27.6	Very low	30.6	Very low	79 Å²	79	97.3 Å²	97.3	48%	0.479	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-44.3	-176.6	-178	0	0	0	0	110.6	N377 S379	V364-N377 PolarHBondContact N-O 3.2Å; V364-S379 VanDerWaalsContact CG2-OG 3.24Å; V364-S379 WeakPolarHBondContact CG2-OG 3.47Å
365	D	29	Very low	31.6	Very low	85 Å²	85	92.5 Å²	92.5	46%	0.455	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	157.3	-174	177.2	41.8	0	0	0	111.2	N377	D365-N377 HydrophobicContact CB-CB 4.08Å; D365-N377 PolarHBondContact O-N 2.81Å; D365-N377 PolarHBondContact OD2-ND2 3.1Å; D365-N377 VanDerWaalsContact OD2-ND2 3.12Å
366	F	29.5	Very low	32.4	Very low	64 Å²	64	88.9 Å²	88.9	28%	0.281	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	125.8	-174.3	168.2	-91.9	0	0	0	109.6	H341 I345 V368 C374 V376	H341-F366 AromaticContact ND1-CZ 3.83Å; I345-F366 HydrophobicContact CD1-CD2 4.15Å; I345-F366 HydrophobicContact CD1-CE2 3.77Å; F366-V368 HydrophobicContact CD1-CG2 4.15Å; F366-V368 HydrophobicContact CE1-CG2 3.24Å; F366-V368 HydrophobicContact CZ-CG2 3.61Å; F366-C374 WeakPolarHBondContact CE2-SG 3.18Å; F366-V376 HydrophobicContact CD2-CG2 4.26Å
367	S	26.3	Very low	33.5	Very low	44 Å²	44	84.4 Å²	84.4	31%	0.308	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	121.3	-179.4	-71.1	0	0	0	0	111	E375	S367-E375 PolarHBondContact N-O 2.79Å; S367-E375 PolarHBondContact O-N 3.38Å
368	V	25.9	Very low	34.8	Very low	101 Å²	101	74.3 Å²	74.3	61%	0.612	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	129.1	172.3	-171.9	0	0	0	0	109.1	F366	F366-V368 HydrophobicContact CD1-CG2 4.15Å; F366-V368 HydrophobicContact CE1-CG2 3.24Å; F366-V368 HydrophobicContact CZ-CG2 3.61Å
369	W	26.9	Very low	35.9	Very low	115 Å²	115	70.8 Å²	70.8	44%	0.436	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	134.3	171.4	-65.6	89.6	0	0	0	109.9	K371 G373 E375	W369-K371 PolarHBondContact O-N 2.82Å; W369-G373 PolarHBondContact N-O 3.18Å; W369-E375 PolarHBondContact NE1-OE2 3.36Å
370	L	24.2	Very low	37.3	Very low	166 Å²	166	66.5 Å²	66.5	87%	0.869	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	69.5	176.3	-78.1	167	0	0	0	111.8
371	K	29.6	Very low	38.4	Very low	189 Å²	189	67.1 Å²	67.1	82%	0.822	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	169	76.9	161	-97.6	169.6	-178	-178.3	0	108.6	W369 G373	W369-K371 PolarHBondContact O-N 2.82Å; K371-G373 PolarHBondContact O-N 3.45Å
372	M	41.7	Very low	40.1	Very low	142 Å²	142	67.1 Å²	67.1	70%	0.7	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	15	165.4	-59.6	-71.9	-71.3	0	0	117.5
373	G	39.8	Very low	41.8	Very low	5 Å²	5	63.9 Å²	63.9	5%	0.052	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139.8	-177.6	0	0	0	0	0	112.6	Y298 W369 K371	Y298-G373 VanDerWaalsContact CE1-CA 3.49Å; W369-G373 PolarHBondContact N-O 3.18Å; K371-G373 PolarHBondContact O-N 3.45Å
374	C	43.9	Very low	43.6	Very low	19 Å²	19	64 Å²	64	13%	0.128	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	132	177.5	178.6	0	0	0	0	110.7	L296 C297 F366 V376	L296-C374 WeakPolarHBondContact CA-O 3.48Å; C297-C374 HydrophobicContact CB-CB 4.49Å; C297-C374 PolarHBondContact N-O 2.78Å; C297-C374 PolarHBondContact O-N 3.04Å; C297-C374 VanDerWaalsContact O-N 3.07Å; F366-C374 WeakPolarHBondContact CE2-SG 3.18Å; C374-V376 VanDerWaalsContact SG-CG2 3.56Å
375	E	45.5	Very low	45.2	Very low	17 Å²	17	66.1 Å²	66.1	8%	0.079	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	118.8	169.6	-173.2	-173.2	155.6	0	0	109.4	L296 S367 W369 K423	L296-E375 HydrophobicContact CD1-CG 4.25Å; L296-E375 HydrophobicContact CG-CB 4.4Å; L296-E375 HydrophobicContact CG-CG 4.37Å; S367-E375 PolarHBondContact N-O 2.79Å; S367-E375 PolarHBondContact O-N 3.38Å; W369-E375 PolarHBondContact NE1-OE2 3.36Å; E375-K423 WeakPolarHBondContact OE1-CE 3.45Å; E375-K423 IonicContact OE1-NZ 3.84Å; E375-K423 PolarHBondContact OE1-NZ 3.37Å
376	V	46.9	Very low	46.7	Very low	21 Å²	21	68.3 Å²	68.3	13%	0.127	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.7	-180	-170.4	0	0	0	0	109.6	I295 F363 F366 C374 V378	I295-V376 PolarHBondContact N-O 2.91Å; I295-V376 PolarHBondContact O-N 3.45Å; F363-V376 HydrophobicContact CD1-CG1 4Å; F363-V376 HydrophobicContact CE1-CG1 4.16Å; F366-V376 HydrophobicContact CD2-CG2 4.26Å; C374-V376 VanDerWaalsContact SG-CG2 3.56Å; V376-V378 HydrophobicContact CG1-CG2 3.86Å
377	N	48.4	Very low	48.5	Very low	17 Å²	17	68.9 Å²	68.9	9%	0.091	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	113.1	177.9	-68.4	-48	0	0	0	110.3	V364 D365 K423	V364-N377 PolarHBondContact N-O 3.2Å; D365-N377 HydrophobicContact CB-CB 4.08Å; D365-N377 PolarHBondContact O-N 2.81Å; D365-N377 PolarHBondContact OD2-ND2 3.1Å; D365-N377 VanDerWaalsContact OD2-ND2 3.12Å; N377-K423 PolarHBondContact ND2-NZ 2.92Å; N377-K423 PolarHBondContact OD1-NZ 2.73Å
378	V	54.2	Low	50.5	Low	12 Å²	12	69 Å²	69	7%	0.073	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	137.2	-172.8	-176.3	0	0	0	0	110.3	L293 I295 L361 F363 V376	L293-V378 PolarHBondContact N-O 3.19Å; L293-V378 PolarHBondContact O-N 2.99Å; I295-V378 HydrophobicContact CD1-CB 4.24Å; I295-V378 HydrophobicContact CD1-CG2 3.76Å; I295-V378 HydrophobicContact CG1-CG2 4.18Å; L361-V378 HydrophobicContact CD2-CG1 3.75Å; F363-V378 HydrophobicContact CD1-CG2 4.41Å; F363-V378 HydrophobicContact CE1-CG2 4.34Å; V376-V378 HydrophobicContact CG1-CG2 3.86Å
379	S	52.4	Low	51.7	Low	13 Å²	13	67.3 Å²	67.3	9%	0.091	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.4	168	65.6	0	0	0	0	109.7	K362 V364	K362-S379 PolarHBondContact N-O 2.9Å; K362-S379 PolarHBondContact O-N 2.83Å; K362-S379 PolarHBondContact O-OG 2.87Å; V364-S379 VanDerWaalsContact CG2-OG 3.24Å; V364-S379 WeakPolarHBondContact CG2-OG 3.47Å
380	I	64.2	Low	53.3	Low	27 Å²	27	68.7 Å²	68.7	14%	0.138	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	120.5	177.6	-52.1	179.9	0	0	0	107.6	L361 T392 I393	L361-I380 HydrophobicContact CD2-CG1 4.32Å; I380-T392 WeakPolarHBondContact O-CA 3.47Å; I380-I393 HydrophobicContact CB-CB 4.42Å; I380-I393 HydrophobicContact CB-CD1 4.23Å; I380-I393 HydrophobicContact CB-CG1 4.41Å; I380-I393 HydrophobicContact CG2-CD1 3.66Å; I380-I393 HydrophobicContact CG2-CG1 4.23Å; I380-I393 PolarHBondContact O-N 3.38Å
381	M	57.9	Low	55.1	Low	39 Å²	39	65 Å²	65	19%	0.192	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	115.9	174.6	-65	-172.2	-52.5	0	0	110.2	G360 K362 H391	G360-M381 PolarHBondContact N-O 3.07Å; G360-M381 PolarHBondContact O-N 2.93Å; G360-M381 VanDerWaalsContact O-O 3.11Å; K362-M381 HydrophobicContact CB-CE 3.92Å; K362-M381 HydrophobicContact CD-CE 3.73Å; K362-M381 HydrophobicContact CD-SD 3.98Å; K362-M381 HydrophobicContact CG-CE 3.87Å; M381-H391 CarbonylContact C-O 3.6Å; M381-H391 WeakPolarHBondContact CA-O 3.03Å
382	E	66.4	Low	56.7	Low	56 Å²	56	58.8 Å²	58.8	26%	0.262	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	131	171.1	-169.8	169	-104	0	0	110.3	R359 K390 H391 I393	R359-E382 IonicContact CZ-OE1 3.25Å; R359-E382 IonicContact NE-OE1 2.82Å; R359-E382 PolarHBondContact NE-OE1 3.45Å; R359-E382 IonicContact NH2-OE1 2.78Å; R359-E382 PolarHBondContact NH2-OE1 3.23Å; E382-K390 WeakPolarHBondContact O-CA 3.28Å; E382-H391 PolarHBondContact N-O 3.09Å; E382-H391 PolarHBondContact O-N 3.12Å; E382-H391 PolarHBondContact O-ND1 3.11Å; E382-H391 IonicContact OE2-CE1 3.69Å; E382-I393 HydrophobicContact CB-CD1 4.17Å; E382-I393 HydrophobicContact CB-CG1 4.12Å
383	T	69.1	Low	58	Low	47 Å²	47	53 Å²	53	29%	0.288	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	112.3	175.9	-54.5	0	0	0	0	107.9	K390	T383-K390 HydrophobicContact CG2-CG 4.12Å; T383-K390 WeakPolarHBondContact OG1-CE 3.39Å
384	H	65.7	Low	59.6	Low	85 Å²	85	55.1 Å²	55.1	39%	0.394	31%	0.313	S	S	.	.			trans	-61.2	123.7	-178.8	-178.8	-58.6	0	0	0	110.1	V386 T387 G388 L389	H384-V386 PolarHBondContact ND1-N 3.3Å; H384-V386 PolarHBondContact O-N 3.29Å; H384-T387 WeakPolarHBondContact CB-OG1 3.44Å; H384-T387 VanDerWaalsContact CG-OG1 3.3Å; H384-T387 PolarHBondContact ND1-N 3.47Å; H384-T387 PolarHBondContact ND1-OG1 2.97Å; H384-T387 PolarHBondContact O-N 2.98Å; H384-G388 WeakPolarHBondContact O-CA 3.46Å; H384-G388 PolarHBondContact O-N 2.86Å; H384-L389 PolarHBondContact N-O 2.82Å
385	P	61.2	Low	60.9	Low	125 Å²	125	54.2 Å²	54.2	81%	0.812	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-37.6	-164.4	21.1	-33.1	0	0	0	113.9
386	V	61.9	Low	62.5	Low	131 Å²	131	56.8 Å²	56.8	79%	0.794	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-35.2	-178	-174.1	0	0	0	0	113.8	H384	H384-V386 PolarHBondContact ND1-N 3.3Å; H384-V386 PolarHBondContact O-N 3.29Å
387	T	67.4	Low	64.1	Low	76 Å²	76	61.4 Å²	61.4	47%	0.466	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-14.2	-170.6	60	0	0	0	0	113.3	H384 L389	H384-T387 WeakPolarHBondContact CB-OG1 3.44Å; H384-T387 VanDerWaalsContact CG-OG1 3.3Å; H384-T387 PolarHBondContact ND1-N 3.47Å; H384-T387 PolarHBondContact ND1-OG1 2.97Å; H384-T387 PolarHBondContact O-N 2.98Å; T387-L389 PolarHBondContact O-N 3.44Å; T387-L389 VanDerWaalsContact O-N 3.12Å; T387-L389 WeakPolarHBondContact OG1-CB 3.25Å; T387-L389 PolarHBondContact OG1-N 2.95Å
388	G	67.5	Low	65.5	Low	47 Å²	47	60.8 Å²	60.8	49%	0.485	34%	0.341	S	S	.	.			trans	65.7	4.1	-171.3	0	0	0	0	0	114.1	H384 K390	H384-G388 WeakPolarHBondContact O-CA 3.46Å; H384-G388 PolarHBondContact O-N 2.86Å; G388-K390 PolarHBondContact O-N 2.78Å
389	L	51.9	Low	66.8	Low	65 Å²	65	63.8 Å²	63.8	34%	0.34	35%	0.352	S	S	.	.			trans	-67.9	120.9	179.4	-71.8	171.9	0	0	0	109.4	H384 T387	H384-L389 PolarHBondContact N-O 2.82Å; T387-L389 PolarHBondContact O-N 3.44Å; T387-L389 VanDerWaalsContact O-N 3.12Å; T387-L389 WeakPolarHBondContact OG1-CB 3.25Å; T387-L389 PolarHBondContact OG1-N 2.95Å
390	K	60.6	Low	68.3	Low	143 Å²	143	67.2 Å²	67.2	62%	0.622	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	132.4	171.5	-57.9	-163.7	174.2	-170.6	0	109.3	E382 T383 G388	E382-K390 WeakPolarHBondContact O-CA 3.28Å; T383-K390 HydrophobicContact CG2-CG 4.12Å; T383-K390 WeakPolarHBondContact OG1-CE 3.39Å; G388-K390 PolarHBondContact O-N 2.78Å
391	H	60.6	Low	69.1	Low	90 Å²	90	70.3 Å²	70.3	42%	0.417	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	146.5	170	72.8	-60.6	0	0	0	109.6	M381 E382	M381-H391 CarbonylContact C-O 3.6Å; M381-H391 WeakPolarHBondContact CA-O 3.03Å; E382-H391 PolarHBondContact N-O 3.09Å; E382-H391 PolarHBondContact O-N 3.12Å; E382-H391 PolarHBondContact O-ND1 3.11Å; E382-H391 IonicContact OE2-CE1 3.69Å
392	T	62.9	Low	70.1	Confident	57 Å²	57	69.5 Å²	69.5	35%	0.35	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	128.3	173.5	-50.1	0	0	0	0	108.4	I380	I380-T392 WeakPolarHBondContact O-CA 3.47Å
393	I	69.1	Low	70.9	Confident	21 Å²	21	69 Å²	69	11%	0.108	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-67.4	133.1	172.2	-54.6	-176.2	0	0	0	107.7	I380 E382 E397	I380-I393 HydrophobicContact CB-CB 4.42Å; I380-I393 HydrophobicContact CB-CD1 4.23Å; I380-I393 HydrophobicContact CB-CG1 4.41Å; I380-I393 HydrophobicContact CG2-CD1 3.66Å; I380-I393 HydrophobicContact CG2-CG1 4.23Å; I380-I393 PolarHBondContact O-N 3.38Å; E382-I393 HydrophobicContact CB-CD1 4.17Å; E382-I393 HydrophobicContact CB-CG1 4.12Å; I393-E397 HydrophobicContact CG2-CB 3.98Å; I393-E397 HydrophobicContact CG2-CG 3.88Å
394	P	73.7	Confident	71.7	Confident	49 Å²	49	71.2 Å²	71.2	32%	0.318	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-53.2	143.8	174.8	-25.8	34.5	0	0	0	112.2	P291 T396 E397 S398	P291-P394 HydrophobicContact CG-CB 4.18Å; P394-T396 VanDerWaalsContact C-N 3.26Å; P394-T396 PolarHBondContact O-N 2.85Å; P394-E397 HydrophobicContact CB-CB 4.4Å; P394-E397 WeakPolarHBondContact CD-OE2 3.43Å; P394-E397 PolarHBondContact O-N 2.92Å; P394-S398 WeakPolarHBondContact O-CB 3.45Å; P394-S398 PolarHBondContact O-N 3.39Å; P394-S398 PolarHBondContact O-OG 3.32Å
395	A	70.8	Confident	72.8	Confident	1 Å²	1	72 Å²	72	1%	0.008	41%	0.405	C	S	.	.	H	α-helix	trans	-62.9	-31.4	178.7	0	0	0	0	0	114.1	P291 F292 L293 S398 Y399 P422	P291-A395 HydrophobicContact CB-CB 3.87Å; P291-A395 HydrophobicContact CG-CB 4.33Å; F292-A395 WeakPolarHBondContact O-CB 3.46Å; L293-A395 HydrophobicContact CB-CB 4.47Å; A395-S398 PolarHBondContact O-N 3.08Å; A395-Y399 WeakPolarHBondContact O-CB 3.43Å; A395-Y399 PolarHBondContact O-N 3.49Å; A395-P422 HydrophobicContact CB-CB 4.2Å
396	T	79.3	Confident	74	Confident	70 Å²	70	70.4 Å²	70.4	43%	0.429	39%	0.393	S	S	.	.	H	α-helix	trans	-59.4	-50.3	174	43.9	0	0	0	0	111	P394 Y399 S400 V424	P394-T396 VanDerWaalsContact C-N 3.26Å; P394-T396 PolarHBondContact O-N 2.85Å; T396-Y399 PolarHBondContact O-N 3.33Å; T396-S400 WeakPolarHBondContact O-CB 3.31Å; T396-S400 PolarHBondContact O-N 3.05Å; T396-S400 PolarHBondContact O-OG 3.08Å; T396-S400 VanDerWaalsContact O-OG 3.11Å; T396-V424 HydrophobicContact CG2-CG1 4.39Å; T396-V424 HydrophobicContact CG2-CG2 3.62Å
397	E	80.7	Confident	74.9	Confident	118 Å²	118	65.5 Å²	65.5	55%	0.551	36%	0.362	S	S	*	.	H	α-helix	trans	-65.5	-44.3	177.4	-176.4	177.2	178.9	0	0	111.8	I393 P394 Y399 S400 F401	I393-E397 HydrophobicContact CG2-CB 3.98Å; I393-E397 HydrophobicContact CG2-CG 3.88Å; P394-E397 HydrophobicContact CB-CB 4.4Å; P394-E397 WeakPolarHBondContact CD-OE2 3.43Å; P394-E397 PolarHBondContact O-N 2.92Å; E397-Y399 VanDerWaalsContact C-N 3.32Å; E397-Y399 PolarHBondContact O-N 3.25Å; E397-S400 PolarHBondContact O-N 2.83Å; E397-F401 PolarHBondContact O-N 2.82Å
398	S	77.8	Confident	75.5	Confident	4 Å²	4	66 Å²	66	3%	0.028	36%	0.356	C	S	.	.	H	α-helix	trans	-59	-42.5	175.3	-56.8	0	0	0	0	111.8	P394 A395 F401 L402	P394-S398 WeakPolarHBondContact O-CB 3.45Å; P394-S398 PolarHBondContact O-N 3.39Å; P394-S398 PolarHBondContact O-OG 3.32Å; A395-S398 PolarHBondContact O-N 3.08Å; S398-F401 PolarHBondContact O-N 3.34Å; S398-L402 VanDerWaalsContact O-CG 3.24Å; S398-L402 WeakPolarHBondContact O-CG 3.25Å; S398-L402 PolarHBondContact O-N 3.19Å
399	Y	81.2	Confident	76.1	Confident	76 Å²	76	69.2 Å²	69.2	30%	0.298	36%	0.359	S	S	.	.	H	α-helix	trans	-67.4	-48.3	176.9	177	-109.2	0	0	0	112	L293 A395 T396 E397 F401 L402 V403 L420 P422	L293-Y399 HydrophobicContact CD1-CD2 4.2Å; L293-Y399 HydrophobicContact CD1-CG 4.47Å; A395-Y399 WeakPolarHBondContact O-CB 3.43Å; A395-Y399 PolarHBondContact O-N 3.49Å; T396-Y399 PolarHBondContact O-N 3.33Å; E397-Y399 VanDerWaalsContact C-N 3.32Å; E397-Y399 PolarHBondContact O-N 3.25Å; Y399-F401 PolarHBondContact O-N 2.9Å; Y399-L402 PolarHBondContact O-N 2.99Å; Y399-L402 VanDerWaalsContact O-N 3.15Å; Y399-V403 HydrophobicContact CD1-CG2 4.39Å; Y399-V403 HydrophobicContact CD2-CG2 3.62Å; Y399-V403 HydrophobicContact CE1-CG2 4.12Å; Y399-V403 HydrophobicContact CE2-CG2 3.28Å; Y399-V403 HydrophobicContact CG-CG2 4.17Å; Y399-V403 WeakPolarHBondContact O-CB 3.26Å; Y399-V403 WeakPolarHBondContact O-CG2 3.37Å; Y399-V403 PolarHBondContact O-N 2.85Å; Y399-L420 HydrophobicContact CD2-CB 4.14Å; Y399-L420 HydrophobicContact CE2-CB 3.89Å; Y399-L420 WeakPolarHBondContact CE2-O 3.46Å; Y399-P422 HydrophobicContact CD1-CG 3.87Å; Y399-P422 HydrophobicContact CD2-CG 4.23Å; Y399-P422 HydrophobicContact CE1-CG 4.28Å; Y399-P422 HydrophobicContact CG-CB 4.1Å; Y399-P422 HydrophobicContact CG-CG 3.83Å
400	S	83.9	Confident	77.2	Confident	84 Å²	84	71 Å²	71	59%	0.587	37%	0.366	S	S	*	.	H	α-helix	trans	-58.3	-29.3	175.8	-67.3	0	0	0	0	113	T396 E397 Q404	T396-S400 WeakPolarHBondContact O-CB 3.31Å; T396-S400 PolarHBondContact O-N 3.05Å; T396-S400 PolarHBondContact O-OG 3.08Å; T396-S400 VanDerWaalsContact O-OG 3.11Å; E397-S400 PolarHBondContact O-N 2.83Å; S400-Q404 WeakPolarHBondContact O-CG 3.48Å
401	F	81.5	Confident	77.7	Confident	92 Å²	92	65.9 Å²	65.9	40%	0.404	35%	0.345	S	S	.	.	H	α-helix	trans	-74.8	-51.7	171	-179.3	-106.6	0	0	0	112.4	E397 S398 Y399 V403 Q404 I407	E397-F401 PolarHBondContact O-N 2.82Å; S398-F401 PolarHBondContact O-N 3.34Å; Y399-F401 PolarHBondContact O-N 2.9Å; F401-V403 VanDerWaalsContact C-N 3.31Å; F401-V403 PolarHBondContact O-N 3.11Å; F401-Q404 WeakPolarHBondContact O-CB 3.45Å; F401-Q404 WeakPolarHBondContact O-CG 3.41Å; F401-Q404 PolarHBondContact O-N 2.91Å; F401-I407 HydrophobicContact CD1-CD1 4.09Å; F401-I407 HydrophobicContact CD2-CD1 3.98Å; F401-I407 HydrophobicContact CE1-CD1 3.68Å; F401-I407 HydrophobicContact CE2-CD1 3.55Å; F401-I407 HydrophobicContact CG-CD1 4.24Å; F401-I407 HydrophobicContact CZ-CD1 3.39Å; F401-I407 WeakPolarHBondContact O-CD1 3.25Å
402	L	78.8	Confident	78.3	Confident	22 Å²	22	65.6 Å²	65.6	12%	0.115	34%	0.344	C	S	.	.	H	α-helix	trans	-71.9	-21.4	-173.3	-64.2	168.6	0	0	0	114.2	L293 S398 Y399 Q404 I407 R408 L411 L420	L293-L402 HydrophobicContact CD2-CD1 3.32Å; S398-L402 VanDerWaalsContact O-CG 3.24Å; S398-L402 WeakPolarHBondContact O-CG 3.25Å; S398-L402 PolarHBondContact O-N 3.19Å; Y399-L402 PolarHBondContact O-N 2.99Å; Y399-L402 VanDerWaalsContact O-N 3.15Å; L402-Q404 VanDerWaalsContact C-N 3.31Å; L402-I407 HydrophobicContact CD2-CG2 3.95Å; L402-R408 PolarHBondContact O-N 3.42Å; L402-L411 HydrophobicContact CB-CD1 4.12Å; L402-L411 HydrophobicContact CD2-CD1 4.15Å; L402-L420 HydrophobicContact CB-CD1 4.08Å
403	V	83.3	Confident	78.7	Confident	45 Å²	45	66.6 Å²	66.6	27%	0.273	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-10.1	175.1	172.7	0	0	0	0	113	Y399 F401 L420	Y399-V403 HydrophobicContact CD1-CG2 4.39Å; Y399-V403 HydrophobicContact CD2-CG2 3.62Å; Y399-V403 HydrophobicContact CE1-CG2 4.12Å; Y399-V403 HydrophobicContact CE2-CG2 3.28Å; Y399-V403 HydrophobicContact CG-CG2 4.17Å; Y399-V403 WeakPolarHBondContact O-CB 3.26Å; Y399-V403 WeakPolarHBondContact O-CG2 3.37Å; Y399-V403 PolarHBondContact O-N 2.85Å; F401-V403 VanDerWaalsContact C-N 3.31Å; F401-V403 PolarHBondContact O-N 3.11Å; V403-L420 HydrophobicContact CG2-CD1 4.21Å
404	Q	86.4	Confident	78.7	Confident	94 Å²	94	72.3 Å²	72.3	44%	0.439	38%	0.379	S	S	.	.	S	Bend	trans	-55.9	135.2	176.1	-67.2	176.7	11.8	0	0	110.5	S400 F401 L402 T406 I407 R408	S400-Q404 WeakPolarHBondContact O-CG 3.48Å; F401-Q404 WeakPolarHBondContact O-CB 3.45Å; F401-Q404 WeakPolarHBondContact O-CG 3.41Å; F401-Q404 PolarHBondContact O-N 2.91Å; L402-Q404 VanDerWaalsContact C-N 3.31Å; Q404-T406 VanDerWaalsContact C-N 3.33Å; Q404-T406 PolarHBondContact O-N 2.7Å; Q404-T406 VanDerWaalsContact O-N 3.12Å; Q404-I407 HydrophobicContact CB-CD1 4.25Å; Q404-I407 PolarHBondContact O-N 3.48Å; Q404-R408 PolarHBondContact O-N 3.26Å
405	P	88.2	Confident	78	Confident	101 Å²	101	71.6 Å²	71.6	66%	0.656	38%	0.378	S	S	*	.	H	α-helix	trans	-51.9	-44.9	-166.6	-30.7	35.4	0	0	0	114.8	I407 R408 M409	P405-I407 VanDerWaalsContact C-N 3.35Å; P405-I407 PolarHBondContact O-N 3.06Å; P405-R408 PolarHBondContact O-N 3.47Å; P405-M409 WeakPolarHBondContact O-CB 3.38Å; P405-M409 WeakPolarHBondContact O-CG 3.48Å; P405-M409 PolarHBondContact O-N 2.93Å
406	T	87.5	Confident	77.8	Confident	92 Å²	92	72.8 Å²	72.8	56%	0.564	39%	0.386	S	S	*	.	H	α-helix	trans	-61.5	-41.1	178.6	-45.6	0	0	0	0	112.6	Q404 Q410	Q404-T406 VanDerWaalsContact C-N 3.33Å; Q404-T406 PolarHBondContact O-N 2.7Å; Q404-T406 VanDerWaalsContact O-N 3.12Å; T406-Q410 WeakPolarHBondContact O-CG 3.25Å; T406-Q410 PolarHBondContact O-N 2.86Å
407	I	79.8	Confident	77.1	Confident	29 Å²	29	69.8 Å²	69.8	15%	0.149	37%	0.368	C	S	.	.	H	α-helix	trans	-77.3	-41.6	-178	-61.7	168.4	0	0	0	110	F401 L402 Q404 P405 M409 Q410 L411	F401-I407 HydrophobicContact CD1-CD1 4.09Å; F401-I407 HydrophobicContact CD2-CD1 3.98Å; F401-I407 HydrophobicContact CE1-CD1 3.68Å; F401-I407 HydrophobicContact CE2-CD1 3.55Å; F401-I407 HydrophobicContact CG-CD1 4.24Å; F401-I407 HydrophobicContact CZ-CD1 3.39Å; F401-I407 WeakPolarHBondContact O-CD1 3.25Å; L402-I407 HydrophobicContact CD2-CG2 3.95Å; Q404-I407 HydrophobicContact CB-CD1 4.25Å; Q404-I407 PolarHBondContact O-N 3.48Å; P405-I407 VanDerWaalsContact C-N 3.35Å; P405-I407 PolarHBondContact O-N 3.06Å; I407-M409 VanDerWaalsContact C-N 3.34Å; I407-M409 PolarHBondContact O-N 3.39Å; I407-Q410 WeakPolarHBondContact O-CB 3.46Å; I407-Q410 PolarHBondContact O-N 2.86Å; I407-Q410 VanDerWaalsContact O-N 3.14Å; I407-L411 HydrophobicContact CG2-CD1 4.15Å; I407-L411 HydrophobicContact CG2-CG 4.35Å; I407-L411 WeakPolarHBondContact O-CG 3.4Å; I407-L411 PolarHBondContact O-N 3.44Å
408	R	80.1	Confident	76.4	Confident	86 Å²	86	67.7 Å²	67.7	33%	0.325	36%	0.36	S	S	.	.	H	α-helix	trans	-60	-43.4	175.9	-172.3	175.7	-175.8	152.7	9.1	111.8	L402 Q404 P405 Q410 L411 Q412	L402-R408 PolarHBondContact O-N 3.42Å; Q404-R408 PolarHBondContact O-N 3.26Å; P405-R408 PolarHBondContact O-N 3.47Å; R408-Q410 VanDerWaalsContact C-N 3.35Å; R408-Q410 PolarHBondContact O-N 3.22Å; R408-L411 PolarHBondContact O-N 3.38Å; R408-Q412 WeakPolarHBondContact O-CB 3.44Å; R408-Q412 WeakPolarHBondContact O-CG 3.47Å; R408-Q412 PolarHBondContact O-N 3.43Å
409	M	80.4	Confident	76	Confident	114 Å²	114	71 Å²	71	56%	0.562	38%	0.378	S	S	*	.	H	α-helix	trans	-60.4	-42.6	173.9	-74	-171.6	-58.7	0	0	112	P405 I407 Q412 S413	P405-M409 WeakPolarHBondContact O-CB 3.38Å; P405-M409 WeakPolarHBondContact O-CG 3.48Å; P405-M409 PolarHBondContact O-N 2.93Å; I407-M409 VanDerWaalsContact C-N 3.34Å; I407-M409 PolarHBondContact O-N 3.39Å; M409-Q412 PolarHBondContact O-N 2.83Å; M409-S413 WeakPolarHBondContact O-CB 3.41Å; M409-S413 PolarHBondContact O-N 3.22Å; M409-S413 PolarHBondContact O-OG 3.4Å; M409-S413 VanDerWaalsContact O-OG 3.08Å
410	Q	74.7	Confident	75.4	Confident	102 Å²	102	67.7 Å²	67.7	48%	0.477	37%	0.365	S	S	.	.	H	α-helix	trans	-64.2	-39.9	176.5	-75.1	172.6	-11	0	0	112.8	T406 I407 R408 S413 H414	T406-Q410 WeakPolarHBondContact O-CG 3.25Å; T406-Q410 PolarHBondContact O-N 2.86Å; I407-Q410 WeakPolarHBondContact O-CB 3.46Å; I407-Q410 PolarHBondContact O-N 2.86Å; I407-Q410 VanDerWaalsContact O-N 3.14Å; R408-Q410 VanDerWaalsContact C-N 3.35Å; R408-Q410 PolarHBondContact O-N 3.22Å; Q410-S413 PolarHBondContact O-N 3.29Å; Q410-S413 PolarHBondContact O-OG 2.97Å; Q410-H414 VanDerWaalsContact O-CB 3.3Å; Q410-H414 WeakPolarHBondContact O-CB 3.42Å; Q410-H414 PolarHBondContact O-CD2 2.64Å; Q410-H414 VanDerWaalsContact O-CD2 3.26Å; Q410-H414 PolarHBondContact O-N 3.23Å
411	L	70.2	Confident	74.7	Confident	36 Å²	36	64.3 Å²	64.3	19%	0.188	34%	0.342	C	S	.	.	H	α-helix	trans	-66.1	-38.1	175.7	-69.5	173.2	0	0	0	111.7	L402 I407 R408 A415 S416 V417 L420	L402-L411 HydrophobicContact CB-CD1 4.12Å; L402-L411 HydrophobicContact CD2-CD1 4.15Å; I407-L411 HydrophobicContact CG2-CD1 4.15Å; I407-L411 HydrophobicContact CG2-CG 4.35Å; I407-L411 WeakPolarHBondContact O-CG 3.4Å; I407-L411 PolarHBondContact O-N 3.44Å; R408-L411 PolarHBondContact O-N 3.38Å; L411-A415 CarbonylContact O-C 3.6Å; L411-A415 VanDerWaalsContact O-C 3.32Å; L411-A415 WeakPolarHBondContact O-CA 3.04Å; L411-A415 WeakPolarHBondContact O-CB 3.45Å; L411-A415 PolarHBondContact O-N 3Å; L411-A415 VanDerWaalsContact O-N 3.11Å; L411-S416 PolarHBondContact O-N 3.46Å; L411-S416 VanDerWaalsContact O-N 3.09Å; L411-V417 HydrophobicContact CB-CB 3.92Å; L411-V417 HydrophobicContact CB-CG1 4.47Å; L411-V417 HydrophobicContact CB-CG2 3.99Å; L411-V417 HydrophobicContact CD2-CG2 4.42Å; L411-V417 PolarHBondContact O-N 3.4Å; L411-V417 VanDerWaalsContact O-N 3.12Å; L411-L420 HydrophobicContact CD1-CD1 3.96Å
412	Q	73.7	Confident	74.3	Confident	84 Å²	84	61.4 Å²	61.4	39%	0.393	33%	0.333	S	S	.	.	H	α-helix	trans	-66.3	-48.7	173.3	-77.7	170.9	-31.1	0	0	111.7	R408 M409 S416 V417	R408-Q412 WeakPolarHBondContact O-CB 3.44Å; R408-Q412 WeakPolarHBondContact O-CG 3.47Å; R408-Q412 PolarHBondContact O-N 3.43Å; M409-Q412 PolarHBondContact O-N 2.83Å; Q412-S416 WeakPolarHBondContact O-CA 3.3Å; Q412-S416 PolarHBondContact O-N 3.47Å; Q412-V417 WeakPolarHBondContact CG-O 3.48Å
413	S	70.8	Confident	73.6	Confident	79 Å²	79	64 Å²	64	55%	0.552	34%	0.343	S	S	*	.	H	α-helix	trans	-76.1	-31.9	-174.2	65.3	0	0	0	0	114.7	M409 Q410	M409-S413 WeakPolarHBondContact O-CB 3.41Å; M409-S413 PolarHBondContact O-N 3.22Å; M409-S413 PolarHBondContact O-OG 3.4Å; M409-S413 VanDerWaalsContact O-OG 3.08Å; Q410-S413 PolarHBondContact O-N 3.29Å; Q410-S413 PolarHBondContact O-OG 2.97Å
414	H	69.4	Low	72.7	Confident	140 Å²	140	64.7 Å²	64.7	65%	0.648	35%	0.347	S	S	*	.	H	α-helix	trans	-109.3	-20.9	-173.5	-57.1	-58.9	0	0	0	114.4	Q410	Q410-H414 VanDerWaalsContact O-CB 3.3Å; Q410-H414 WeakPolarHBondContact O-CB 3.42Å; Q410-H414 PolarHBondContact O-CD2 2.64Å; Q410-H414 VanDerWaalsContact O-CD2 3.26Å; Q410-H414 PolarHBondContact O-N 3.23Å
415	A	59.6	Low	71.4	Confident	35 Å²	35	64 Å²	64	29%	0.289	35%	0.347	S	S	.	.	H	α-helix	trans	-128.8	4.5	-176.8	0	0	0	0	0	113.7	L411 V417	L411-A415 CarbonylContact O-C 3.6Å; L411-A415 VanDerWaalsContact O-C 3.32Å; L411-A415 WeakPolarHBondContact O-CA 3.04Å; L411-A415 WeakPolarHBondContact O-CB 3.45Å; L411-A415 PolarHBondContact O-N 3Å; L411-A415 VanDerWaalsContact O-N 3.11Å; A415-V417 HydrophobicContact CB-CG2 3.99Å; A415-V417 PolarHBondContact O-N 2.95Å; A415-V417 VanDerWaalsContact O-N 3.17Å
416	S	67.5	Low	70.2	Confident	26 Å²	26	62.8 Å²	62.8	18%	0.182	33%	0.333	C	S	.	.			trans	47.2	44	-179	-55.9	0	0	0	0	113.3	C297 Y298 F301 L411 Q412	C297-S416 WeakPolarHBondContact CA-O 3.27Å; C297-S416 WeakPolarHBondContact CB-O 3.38Å; C297-S416 PolarHBondContact SG-O 3.33Å; Y298-S416 PolarHBondContact N-O 3.12Å; F301-S416 VanDerWaalsContact CZ-OG 3.29Å; F301-S416 WeakPolarHBondContact CZ-OG 3.24Å; L411-S416 PolarHBondContact O-N 3.46Å; L411-S416 VanDerWaalsContact O-N 3.09Å; Q412-S416 WeakPolarHBondContact O-CA 3.3Å; Q412-S416 PolarHBondContact O-N 3.47Å
417	V	63.2	Low	69.1	Low	7 Å²	7	62.2 Å²	62.2	4%	0.042	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	114.1	174	176.6	0	0	0	0	109	I295 L411 Q412 A415 D419 L420	I295-V417 HydrophobicContact CG2-CB 4.15Å; I295-V417 HydrophobicContact CG2-CG1 3.51Å; I295-V417 HydrophobicContact CG2-CG2 3.54Å; L411-V417 HydrophobicContact CB-CB 3.92Å; L411-V417 HydrophobicContact CB-CG1 4.47Å; L411-V417 HydrophobicContact CB-CG2 3.99Å; L411-V417 HydrophobicContact CD2-CG2 4.42Å; L411-V417 PolarHBondContact O-N 3.4Å; L411-V417 VanDerWaalsContact O-N 3.12Å; Q412-V417 WeakPolarHBondContact CG-O 3.48Å; A415-V417 HydrophobicContact CB-CG2 3.99Å; A415-V417 PolarHBondContact O-N 2.95Å; A415-V417 VanDerWaalsContact O-N 3.17Å; V417-D419 WeakPolarHBondContact CG1-O 3.45Å; V417-L420 HydrophobicContact CG1-CD2 3.87Å; V417-L420 HydrophobicContact CG1-CG 3.89Å
418	D	66.1	Low	68.5	Low	73 Å²	73	67.4 Å²	67.4	39%	0.39	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-39.3	-179.9	-70.2	-87.2	0	0	0	111.6	L296 Y298	L296-D418 PolarHBondContact O-N 3.36Å; Y298-D418 WeakPolarHBondContact CA-OD2 3.4Å; Y298-D418 WeakPolarHBondContact CB-OD2 2.99Å; Y298-D418 HydrophobicContact CD2-CB 4.32Å; Y298-D418 PolarHBondContact N-OD2 3.43Å
419	D	69.2	Low	68	Low	75 Å²	75	71.2 Å²	71.2	40%	0.401	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	152.6	-179.9	-167.9	32.8	0	0	0	113.3	L296 V417	L296-D419 HydrophobicContact CB-CB 4.02Å; L296-D419 PolarHBondContact N-O 2.92Å; L296-D419 PolarHBondContact O-N 2.83Å; L296-D419 VanDerWaalsContact O-N 3.1Å; V417-D419 WeakPolarHBondContact CG1-O 3.45Å
420	L	68.8	Low	67.5	Low	5 Å²	5	70.9 Å²	70.9	3%	0.026	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	128.7	179.1	-72.7	168.8	0	0	0	107.3	I295 Y399 L402 V403 L411 V417	I295-L420 HydrophobicContact CB-CD2 4.12Å; I295-L420 HydrophobicContact CD1-CD2 4.22Å; I295-L420 HydrophobicContact CG1-CD2 3.74Å; I295-L420 HydrophobicContact CG2-CD2 3.89Å; Y399-L420 HydrophobicContact CD2-CB 4.14Å; Y399-L420 HydrophobicContact CE2-CB 3.89Å; Y399-L420 WeakPolarHBondContact CE2-O 3.46Å; L402-L420 HydrophobicContact CB-CD1 4.08Å; V403-L420 HydrophobicContact CG2-CD1 4.21Å; L411-L420 HydrophobicContact CD1-CD1 3.96Å; V417-L420 HydrophobicContact CG1-CD2 3.87Å; V417-L420 HydrophobicContact CG1-CG 3.89Å
421	A	70.5	Confident	67.4	Low	13 Å²	13	70.1 Å²	70.1	11%	0.107	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	128.2	179.3	0	0	0	0	0	111	S294	S294-A421 PolarHBondContact N-O 3.26Å; S294-A421 PolarHBondContact O-N 3.02Å; S294-A421 VanDerWaalsContact O-O 3.1Å; S294-A421 PolarHBondContact OG-O 2.95Å
422	P	73.3	Confident	67.6	Low	32 Å²	32	72 Å²	72	21%	0.208	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	119.1	173.2	33.6	-31.7	0	0	0	110	L293 A395 Y399 V424	L293-P422 HydrophobicContact CD1-CB 4.37Å; A395-P422 HydrophobicContact CB-CB 4.2Å; Y399-P422 HydrophobicContact CD1-CG 3.87Å; Y399-P422 HydrophobicContact CD2-CG 4.23Å; Y399-P422 HydrophobicContact CE1-CG 4.28Å; Y399-P422 HydrophobicContact CG-CB 4.1Å; Y399-P422 HydrophobicContact CG-CG 3.83Å; P422-V424 HydrophobicContact CB-CG2 3.86Å; P422-V424 HydrophobicContact CG-CG2 4.34Å; P422-V424 PolarHBondContact O-N 3.46Å
423	K	62.9	Low	67.8	Low	76 Å²	76	70 Å²	70	33%	0.33	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	74.5	168.8	-70.5	174.9	172.1	173.7	0	109.4	F292 S294 E375 N377	F292-K423 HydrophobicContact CB-CB 4.01Å; F292-K423 PolarHBondContact N-O 3.5Å; F292-K423 CarbonylContact O-C 3.51Å; F292-K423 VanDerWaalsContact O-CA 3.24Å; F292-K423 WeakPolarHBondContact O-CA 3.39Å; F292-K423 VanDerWaalsContact O-CB 3.29Å; F292-K423 WeakPolarHBondContact O-CB 3.49Å; F292-K423 PolarHBondContact O-N 3.16Å; S294-K423 WeakPolarHBondContact OG-CE 3.36Å; E375-K423 WeakPolarHBondContact OE1-CE 3.45Å; E375-K423 IonicContact OE1-NZ 3.84Å; E375-K423 PolarHBondContact OE1-NZ 3.37Å; N377-K423 PolarHBondContact ND2-NZ 2.92Å; N377-K423 PolarHBondContact OD1-NZ 2.73Å
424	V	65.5	Low	68.1	Low	60 Å²	60	69.8 Å²	69.8	36%	0.364	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-86	153.9	170.4	-166.7	0	0	0	0	109.1	P291 T396 P422	P291-V424 HydrophobicContact CB-CB 4.43Å; P291-V424 HydrophobicContact CB-CG1 4.32Å; P291-V424 HydrophobicContact CB-CG2 4.42Å; T396-V424 HydrophobicContact CG2-CG1 4.39Å; T396-V424 HydrophobicContact CG2-CG2 3.62Å; P422-V424 HydrophobicContact CB-CG2 3.86Å; P422-V424 HydrophobicContact CG-CG2 4.34Å; P422-V424 PolarHBondContact O-N 3.46Å
425	D	59.3	Low	68.7	Low	80 Å²	80	65.5 Å²	65.5	43%	0.428	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-54.9	140.5	168.6	-55.8	-59.2	0	0	0	110.8	L289	L289-D425 WeakPolarHBondContact CB-OD1 3.34Å; L289-D425 WeakPolarHBondContact CB-OD2 3.44Å; L289-D425 WeakPolarHBondContact CD1-OD1 3.48Å
426	M	61.6	Low	69.8	Low	74 Å²	74	68.6 Å²	68.6	37%	0.365	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-70.1	139.3	177	-54.6	-57	-51.7	0	0	109.6	K430 W431	M426-K430 HydrophobicContact CE-CD 3.47Å; M426-K430 VanDerWaalsContact CE-CD 3.47Å; M426-K430 HydrophobicContact CE-CG 4.17Å; M426-W431 HydrophobicContact CB-CD2 4.39Å; M426-W431 HydrophobicContact CB-CZ2 3.84Å; M426-W431 HydrophobicContact CG-CH2 4.29Å; M426-W431 HydrophobicContact CG-CZ2 3.87Å; M426-W431 PolarHBondContact O-NE1 3.31Å
427	P	64.6	Low	70.5	Confident	81 Å²	81	73.3 Å²	73.3	53%	0.526	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-64.4	147.9	176.3	27	-34.6	0	0	0	111.2	E429 K430 W431	P427-E429 PolarHBondContact O-N 3.1Å; P427-K430 HydrophobicContact CG-CB 4.47Å; P427-K430 PolarHBondContact O-N 2.91Å; P427-W431 PolarHBondContact O-N 3.17Å
428	D	67.7	Low	71.5	Confident	138 Å²	138	75.2 Å²	75.2	74%	0.738	41%	0.41	S	S	*	.	H	α-helix	trans	-52.1	-33.4	-175.5	-61.8	-28.3	0	0	0	113.7	K430 W431 S432	D428-K430 VanDerWaalsContact C-N 3.33Å; D428-K430 PolarHBondContact O-N 3.16Å; D428-W431 PolarHBondContact O-N 3.5Å; D428-S432 PolarHBondContact O-N 2.79Å
429	E	70.1	Confident	72.1	Confident	165 Å²	165	73.1 Å²	73.1	77%	0.771	40%	0.4	S	S	*	.	H	α-helix	trans	-56	-44	173.8	-63	-179.3	175.1	0	0	112.4	P427 S432 G433	P427-E429 PolarHBondContact O-N 3.1Å; E429-S432 WeakPolarHBondContact O-CB 3.43Å; E429-S432 PolarHBondContact O-N 3.03Å; E429-S432 PolarHBondContact O-OG 3.45Å; E429-G433 PolarHBondContact O-N 2.75Å; E429-G433 VanDerWaalsContact O-N 3.1Å
430	K	69.4	Low	72.5	Confident	107 Å²	107	74.1 Å²	74.1	47%	0.465	42%	0.419	S	S	.	.	H	α-helix	trans	-75	-30.5	-179.9	-178.4	151	165	-171	0	111.9	M426 P427 D428 G433 Y434	M426-K430 HydrophobicContact CE-CD 3.47Å; M426-K430 VanDerWaalsContact CE-CD 3.47Å; M426-K430 HydrophobicContact CE-CG 4.17Å; P427-K430 HydrophobicContact CG-CB 4.47Å; P427-K430 PolarHBondContact O-N 2.91Å; D428-K430 VanDerWaalsContact C-N 3.33Å; D428-K430 PolarHBondContact O-N 3.16Å; K430-G433 PolarHBondContact O-N 3.41Å; K430-Y434 PolarHBondContact O-N 3.24Å; K430-Y434 VanDerWaalsContact O-N 3.1Å
431	W	73.1	Confident	72.9	Confident	87 Å²	87	77.9 Å²	77.9	33%	0.33	46%	0.458	S	S	.	.	H	α-helix	trans	-64.6	-41.6	167.9	-68.1	126.3	0	0	0	112	M426 P427 D428 G433 Y434 L435 I461	M426-W431 HydrophobicContact CB-CD2 4.39Å; M426-W431 HydrophobicContact CB-CZ2 3.84Å; M426-W431 HydrophobicContact CG-CH2 4.29Å; M426-W431 HydrophobicContact CG-CZ2 3.87Å; M426-W431 PolarHBondContact O-NE1 3.31Å; P427-W431 PolarHBondContact O-N 3.17Å; D428-W431 PolarHBondContact O-N 3.5Å; W431-G433 VanDerWaalsContact C-N 3.28Å; W431-G433 PolarHBondContact O-N 2.72Å; W431-Y434 PolarHBondContact O-N 3.21Å; W431-L435 WeakPolarHBondContact O-CB 3.46Å; W431-L435 VanDerWaalsContact O-CG 3.31Å; W431-L435 WeakPolarHBondContact O-CG 3.43Å; W431-L435 PolarHBondContact O-N 2.87Å; W431-I461 HydrophobicContact CE3-CD1 4.44Å; W431-I461 HydrophobicContact CE3-CG2 4.22Å; W431-I461 HydrophobicContact CH2-CD1 3.92Å; W431-I461 HydrophobicContact CZ3-CD1 3.52Å; W431-I461 HydrophobicContact CZ3-CG2 4.17Å
432	S	72.9	Confident	73.2	Confident	76 Å²	76	80 Å²	80	53%	0.531	47%	0.465	S	S	.	.	H	α-helix	trans	-59.8	-40	176.7	84.7	0	0	0	0	111.7	D428 E429 C436	D428-S432 PolarHBondContact O-N 2.79Å; E429-S432 WeakPolarHBondContact O-CB 3.43Å; E429-S432 PolarHBondContact O-N 3.03Å; E429-S432 PolarHBondContact O-OG 3.45Å; S432-C436 VanDerWaalsContact O-CB 3.25Å; S432-C436 WeakPolarHBondContact O-CB 3.36Å; S432-C436 PolarHBondContact O-N 3.5Å
433	G	78.7	Confident	73.7	Confident	42 Å²	42	81.9 Å²	81.9	43%	0.433	47%	0.474	S	S	.	.	H	α-helix	trans	-63.5	-46.2	174.2	0	0	0	0	0	113	E429 K430 W431 C436	E429-G433 PolarHBondContact O-N 2.75Å; E429-G433 VanDerWaalsContact O-N 3.1Å; K430-G433 PolarHBondContact O-N 3.41Å; W431-G433 VanDerWaalsContact C-N 3.28Å; W431-G433 PolarHBondContact O-N 2.72Å; G433-C436 PolarHBondContact O-N 2.92Å
434	Y	77	Confident	74.8	Confident	73 Å²	73	82.8 Å²	82.8	29%	0.286	49%	0.487	S	S	.	.	H	α-helix	trans	-62.7	-42.5	177.3	176.4	-100.5	0	0	0	112.6	K430 W431 W447 I461 P462 P464	K430-Y434 PolarHBondContact O-N 3.24Å; K430-Y434 VanDerWaalsContact O-N 3.1Å; W431-Y434 PolarHBondContact O-N 3.21Å; Y434-W447 HydrophobicContact CD1-CZ2 4.46Å; Y434-W447 AromaticContact CE1-CH2 3.9Å; Y434-W447 HydrophobicContact CE1-CH2 3.9Å; Y434-W447 AromaticContact CE1-CZ2 3.9Å; Y434-W447 HydrophobicContact CE1-CZ2 3.9Å; Y434-W447 AromaticContact CZ-CH2 3.95Å; Y434-I461 HydrophobicContact CE1-CD1 4.27Å; Y434-P462 PolarHBondContact OH-O 3.12Å; Y434-P464 WeakPolarHBondContact OH-CD 3.36Å
435	L	82.1	Confident	75.7	Confident	50 Å²	50	87.2 Å²	87.2	26%	0.262	50%	0.502	S	S	.	.	H	α-helix	trans	-77.6	-20.7	-177.5	-63.6	173	0	0	0	113.1	W431 W447 Q451 P462	W431-L435 WeakPolarHBondContact O-CB 3.46Å; W431-L435 VanDerWaalsContact O-CG 3.31Å; W431-L435 WeakPolarHBondContact O-CG 3.43Å; W431-L435 PolarHBondContact O-N 2.87Å; L435-W447 PolarHBondContact O-NE1 3.08Å; L435-Q451 HydrophobicContact CD2-CG 4.32Å; L435-Q451 PolarHBondContact O-NE2 3.4Å; L435-P462 HydrophobicContact CD2-CG 4.48Å
436	C	83.5	Confident	76.8	Confident	101 Å²	101	86.8 Å²	86.8	68%	0.682	50%	0.502	S	S	*	.	H	α-helix	trans	-69.4	-36.6	-179.7	-170.4	0	0	0	0	112.9	S432 G433	S432-C436 VanDerWaalsContact O-CB 3.25Å; S432-C436 WeakPolarHBondContact O-CB 3.36Å; S432-C436 PolarHBondContact O-N 3.5Å; G433-C436 PolarHBondContact O-N 2.92Å
437	L	81.3	Confident	78	Confident	125 Å²	125	83.7 Å²	83.7	65%	0.654	49%	0.486	S	S	*	.	S	Bend	trans	-107.4	131	-175.9	-63.3	175.2	0	0	0	111.1	W447	L437-W447 PolarHBondContact O-NE1 3.1Å
438	P	84.2	Confident	79	Confident	47 Å²	47	85.3 Å²	85.3	31%	0.305	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-67.4	141.5	171.5	29.1	-33.5	0	0	0	110.6	P444 W447	P438-P444 HydrophobicContact CG-CB 4.43Å; P438-P444 HydrophobicContact CG-CG 4.2Å; P438-W447 VanDerWaalsContact CA-CD1 3.49Å; P438-W447 HydrophobicContact CB-CB 3.84Å; P438-W447 HydrophobicContact CB-CG 3.88Å
439	P	78.6	Confident	79.7	Confident	28 Å²	28	82.1 Å²	82.1	18%	0.182	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-59.4	150.4	171.4	-23.8	34.4	0	0	0	111.7	G441 F442 W447 P464	P439-G441 PolarHBondContact O-N 3.01Å; P439-F442 HydrophobicContact CB-CD2 3.96Å; P439-F442 PolarHBondContact O-N 3.01Å; P439-W447 VanDerWaalsContact CD-CD2 3.5Å; P439-W447 HydrophobicContact CG-CD2 4.41Å; P439-W447 HydrophobicContact CG-CE3 4.1Å; P439-W447 HydrophobicContact CG-CH2 3.78Å; P439-W447 HydrophobicContact CG-CZ2 4.09Å; P439-W447 HydrophobicContact CG-CZ3 3.78Å; P439-P464 HydrophobicContact CB-CB 4.03Å; P439-P464 HydrophobicContact CB-CG 3.97Å; P439-P464 HydrophobicContact CG-CB 3.95Å; P439-P464 HydrophobicContact CG-CG 3.75Å
440	A	76.7	Confident	80	Confident	97 Å²	97	76.1 Å²	76.1	80%	0.802	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	128.6	178.1	0	0	0	0	0	111.2
441	G	78.2	Confident	80.7	Confident	83 Å²	83	72.2 Å²	72.2	86%	0.856	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.5	-12.5	-176	0	0	0	0	0	115.4	P439	P439-G441 PolarHBondContact O-N 3.01Å
442	F	77.4	Confident	81.1	Confident	57 Å²	57	72.8 Å²	72.8	25%	0.25	44%	0.437	C	S	.	.			trans	-97.2	136.8	175	-70.6	-96.4	0	0	0	111.2	P439 P464 N466	P439-F442 HydrophobicContact CB-CD2 3.96Å; P439-F442 PolarHBondContact O-N 3.01Å; F442-P464 HydrophobicContact CD2-CB 3.94Å; F442-P464 HydrophobicContact CE1-CB 4.43Å; F442-P464 HydrophobicContact CE2-CB 3.27Å; F442-P464 HydrophobicContact CZ-CB 3.58Å; F442-N466 WeakPolarHBondContact CE2-OD1 3.3Å
443	D	82.2	Confident	81.5	Confident	73 Å²	73	74.2 Å²	74.2	39%	0.39	44%	0.439	S	S	.	.			trans	-73.6	148.1	172.5	77.2	86.5	0	0	0	110.9	F445 T446 W447	D443-F445 PolarHBondContact O-N 3.46Å; D443-F445 WeakPolarHBondContact OD1-CA 3.4Å; D443-F445 VanDerWaalsContact OD1-CB 3.3Å; D443-F445 WeakPolarHBondContact OD1-CB 3.47Å; D443-F445 PolarHBondContact OD1-N 2.96Å; D443-T446 PolarHBondContact OD1-N 2.79Å; D443-T446 PolarHBondContact OD1-OG1 2.95Å; D443-T446 WeakPolarHBondContact OD2-CB 3.45Å; D443-T446 PolarHBondContact OD2-OG1 2.94Å; D443-W447 PolarHBondContact O-N 3.19Å; D443-W447 VanDerWaalsContact O-N 3.1Å
444	P	86.7	Confident	81.4	Confident	95 Å²	95	73.2 Å²	73.2	62%	0.617	42%	0.423	S	S	*	.	H	α-helix	trans	-60.5	-27.4	-178.1	-23.2	31.8	0	0	0	114.4	P438 K448	P438-P444 HydrophobicContact CG-CB 4.43Å; P438-P444 HydrophobicContact CG-CG 4.2Å; P444-K448 WeakPolarHBondContact O-CB 3.38Å; P444-K448 PolarHBondContact O-N 3.48Å
445	F	85.1	Confident	80.9	Confident	153 Å²	153	74.6 Å²	74.6	67%	0.671	44%	0.441	S	S	*	.	H	α-helix	trans	-76.8	-49.5	-176.8	178.9	-90.5	0	0	0	110.9	D443 W447 K448 Q449	D443-F445 PolarHBondContact O-N 3.46Å; D443-F445 WeakPolarHBondContact OD1-CA 3.4Å; D443-F445 VanDerWaalsContact OD1-CB 3.3Å; D443-F445 WeakPolarHBondContact OD1-CB 3.47Å; D443-F445 PolarHBondContact OD1-N 2.96Å; F445-W447 VanDerWaalsContact C-N 3.31Å; F445-W447 PolarHBondContact O-N 2.6Å; F445-K448 PolarHBondContact O-N 3.36Å; F445-K448 VanDerWaalsContact O-N 3.11Å; F445-Q449 WeakPolarHBondContact O-CB 3.2Å; F445-Q449 PolarHBondContact O-N 3.2Å
446	T	82.6	Confident	80.4	Confident	70 Å²	70	74.3 Å²	74.3	43%	0.429	44%	0.44	S	S	.	.	H	α-helix	trans	-60.9	-39.8	173.9	-59.1	0	0	0	0	111.4	D443 K448 Q449 A450	D443-T446 PolarHBondContact OD1-N 2.79Å; D443-T446 PolarHBondContact OD1-OG1 2.95Å; D443-T446 WeakPolarHBondContact OD2-CB 3.45Å; D443-T446 PolarHBondContact OD2-OG1 2.94Å; T446-K448 VanDerWaalsContact C-N 3.34Å; T446-K448 PolarHBondContact O-N 3.01Å; T446-Q449 PolarHBondContact O-N 3.22Å; T446-A450 WeakPolarHBondContact O-CB 3.45Å; T446-A450 PolarHBondContact O-N 2.95Å
447	W	85	Confident	79.8	Confident	9 Å²	9	75.4 Å²	75.4	3%	0.034	43%	0.433	C	S	.	.	H	α-helix	trans	-62	-41.2	173.7	-175.2	-118.6	0	0	0	112	Y434 L435 L437 P438 P439 D443 F445 A450 Q451 P462	Y434-W447 HydrophobicContact CD1-CZ2 4.46Å; Y434-W447 AromaticContact CE1-CH2 3.9Å; Y434-W447 HydrophobicContact CE1-CH2 3.9Å; Y434-W447 AromaticContact CE1-CZ2 3.9Å; Y434-W447 HydrophobicContact CE1-CZ2 3.9Å; Y434-W447 AromaticContact CZ-CH2 3.95Å; L435-W447 PolarHBondContact O-NE1 3.08Å; L437-W447 PolarHBondContact O-NE1 3.1Å; P438-W447 VanDerWaalsContact CA-CD1 3.49Å; P438-W447 HydrophobicContact CB-CB 3.84Å; P438-W447 HydrophobicContact CB-CG 3.88Å; P439-W447 VanDerWaalsContact CD-CD2 3.5Å; P439-W447 HydrophobicContact CG-CD2 4.41Å; P439-W447 HydrophobicContact CG-CE3 4.1Å; P439-W447 HydrophobicContact CG-CH2 3.78Å; P439-W447 HydrophobicContact CG-CZ2 4.09Å; P439-W447 HydrophobicContact CG-CZ3 3.78Å; D443-W447 PolarHBondContact O-N 3.19Å; D443-W447 VanDerWaalsContact O-N 3.1Å; F445-W447 VanDerWaalsContact C-N 3.31Å; F445-W447 PolarHBondContact O-N 2.6Å; W447-A450 PolarHBondContact O-N 3.17Å; W447-Q451 VanDerWaalsContact NE1-NE2 3.13Å; W447-Q451 WeakPolarHBondContact O-CG 3.32Å; W447-Q451 PolarHBondContact O-N 3Å; W447-P462 HydrophobicContact CE3-CB 4.42Å; W447-P462 HydrophobicContact CH2-CB 3.91Å; W447-P462 WeakPolarHBondContact CH2-O 3.28Å; W447-P462 HydrophobicContact CZ3-CB 3.83Å
448	K	85.6	Confident	79.2	Confident	115 Å²	115	76.3 Å²	76.3	50%	0.5	44%	0.439	S	S	.	.	H	α-helix	trans	-68.5	-38.9	176.4	-162.7	71.9	-164.9	165.7	0	112.3	P444 F445 T446 Q451 L452	P444-K448 WeakPolarHBondContact O-CB 3.38Å; P444-K448 PolarHBondContact O-N 3.48Å; F445-K448 PolarHBondContact O-N 3.36Å; F445-K448 VanDerWaalsContact O-N 3.11Å; T446-K448 VanDerWaalsContact C-N 3.34Å; T446-K448 PolarHBondContact O-N 3.01Å; K448-Q451 WeakPolarHBondContact O-CB 3.48Å; K448-Q451 PolarHBondContact O-N 3.02Å; K448-L452 WeakPolarHBondContact O-CG 3.41Å; K448-L452 PolarHBondContact O-N 3.27Å; K448-L452 VanDerWaalsContact O-N 3.11Å
449	Q	82.4	Confident	78.2	Confident	72 Å²	72	77.5 Å²	77.5	34%	0.336	45%	0.445	S	S	.	.	H	α-helix	trans	-62.7	-43.7	175.8	-170.3	57	43.2	0	0	111	F445 T446 Q451 L452 D453	F445-Q449 WeakPolarHBondContact O-CB 3.2Å; F445-Q449 PolarHBondContact O-N 3.2Å; T446-Q449 PolarHBondContact O-N 3.22Å; Q449-Q451 VanDerWaalsContact C-N 3.26Å; Q449-Q451 PolarHBondContact O-N 3.42Å; Q449-L452 WeakPolarHBondContact O-CA 3.18Å; Q449-L452 WeakPolarHBondContact O-CB 3.2Å; Q449-L452 PolarHBondContact O-N 2.96Å; Q449-D453 WeakPolarHBondContact CG-OD2 3.29Å; Q449-D453 PolarHBondContact NE2-OD1 3.04Å; Q449-D453 PolarHBondContact NE2-OD2 3.36Å; Q449-D453 PolarHBondContact O-N 3Å
450	A	78.1	Confident	77.7	Confident	39 Å²	39	80.3 Å²	80.3	32%	0.322	46%	0.458	S	S	.	.	H	α-helix	trans	-61	-31.1	174.5	0	0	0	0	0	113.5	T446 W447 N454 P462	T446-A450 WeakPolarHBondContact O-CB 3.45Å; T446-A450 PolarHBondContact O-N 2.95Å; W447-A450 PolarHBondContact O-N 3.17Å; A450-N454 PolarHBondContact O-N 3.39Å; A450-P462 HydrophobicContact CB-CB 4.09Å; A450-P462 HydrophobicContact CB-CG 4.5Å
451	Q	83.2	Confident	77.6	Confident	24 Å²	24	78.6 Å²	78.6	11%	0.112	44%	0.435	C	S	.	.	H	α-helix	trans	-70.9	-31.5	170.7	-65.9	170.6	31.2	0	0	113.1	L435 W447 K448 Q449 K457 P462	L435-Q451 HydrophobicContact CD2-CG 4.32Å; L435-Q451 PolarHBondContact O-NE2 3.4Å; W447-Q451 VanDerWaalsContact NE1-NE2 3.13Å; W447-Q451 WeakPolarHBondContact O-CG 3.32Å; W447-Q451 PolarHBondContact O-N 3Å; K448-Q451 WeakPolarHBondContact O-CB 3.48Å; K448-Q451 PolarHBondContact O-N 3.02Å; Q449-Q451 VanDerWaalsContact C-N 3.26Å; Q449-Q451 PolarHBondContact O-N 3.42Å; Q451-K457 WeakPolarHBondContact O-CE 3.44Å; Q451-K457 PolarHBondContact O-NZ 3.43Å; Q451-P462 HydrophobicContact CB-CG 4.37Å; Q451-P462 HydrophobicContact CG-CG 3.88Å
452	L	82.4	Confident	77.4	Confident	99 Å²	99	75.3 Å²	75.3	52%	0.518	40%	0.399	S	S	.	.	H	α-helix	trans	-75.4	-46	177.7	-68.3	174.1	0	0	0	111.1	K448 Q449 N454	K448-L452 WeakPolarHBondContact O-CG 3.41Å; K448-L452 PolarHBondContact O-N 3.27Å; K448-L452 VanDerWaalsContact O-N 3.11Å; Q449-L452 WeakPolarHBondContact O-CA 3.18Å; Q449-L452 WeakPolarHBondContact O-CB 3.2Å; Q449-L452 PolarHBondContact O-N 2.96Å; L452-N454 PolarHBondContact O-N 3.42Å
453	D	80.7	Confident	77.5	Confident	106 Å²	106	80.5 Å²	80.5	57%	0.567	42%	0.417	S	S	*	.	S	Bend	trans	-75.2	-4.5	-178.3	-64.5	-21.5	0	0	0	113.9	Q449 P455	Q449-D453 WeakPolarHBondContact CG-OD2 3.29Å; Q449-D453 PolarHBondContact NE2-OD1 3.04Å; Q449-D453 PolarHBondContact NE2-OD2 3.36Å; Q449-D453 PolarHBondContact O-N 3Å; D453-P455 VanDerWaalsContact O-CD 3.25Å; D453-P455 WeakPolarHBondContact O-CD 3.46Å; D453-P455 VanDerWaalsContact O-N 3.14Å
454	N	75.8	Confident	77.1	Confident	21 Å²	21	77.9 Å²	77.9	11%	0.112	40%	0.404	C	S	.	.			trans	-60.2	113.3	175.4	-178.4	1.1	0	0	0	110.6	A450 L452 D456 K457 L460	A450-N454 PolarHBondContact O-N 3.39Å; L452-N454 PolarHBondContact O-N 3.42Å; N454-D456 VanDerWaalsContact C-N 3.27Å; N454-D456 PolarHBondContact O-N 2.98Å; N454-D456 PolarHBondContact OD1-N 3.1Å; N454-D456 PolarHBondContact OD1-O 3.35Å; N454-K457 HydrophobicContact CB-CG 4.17Å; N454-L460 PolarHBondContact ND2-O 2.82Å; N454-L460 WeakPolarHBondContact OD1-CB 3.44Å
455	P	67.5	Low	76.6	Confident	102 Å²	102	76.1 Å²	76.1	66%	0.662	39%	0.389	S	S	*	.	S	Bend	trans	-74.9	-13.8	-171.9	31.4	-36.5	0	0	0	113.8	D453 L460	D453-P455 VanDerWaalsContact O-CD 3.25Å; D453-P455 WeakPolarHBondContact O-CD 3.46Å; D453-P455 VanDerWaalsContact O-N 3.14Å; P455-L460 HydrophobicContact CG-CD1 4.04Å
456	D	72	Confident	76	Confident	45 Å²	45	72.4 Å²	72.4	24%	0.241	38%	0.376	C	S	.	.			trans	-148	94.6	172	-175.6	-5.1	0	0	0	110.8	N454 N458 T459 L460	N454-D456 VanDerWaalsContact C-N 3.27Å; N454-D456 PolarHBondContact O-N 2.98Å; N454-D456 PolarHBondContact OD1-N 3.1Å; N454-D456 PolarHBondContact OD1-O 3.35Å; D456-N458 PolarHBondContact O-N 3.12Å; D456-N458 VanDerWaalsContact O-N 3.16Å; D456-N458 WeakPolarHBondContact OD1-CB 3.48Å; D456-N458 PolarHBondContact OD1-N 3.37Å; D456-T459 PolarHBondContact O-N 3.05Å; D456-T459 PolarHBondContact OD1-N 3.36Å; D456-T459 WeakPolarHBondContact OD2-CG2 3.47Å; D456-T459 PolarHBondContact OD2-OG1 3.07Å; D456-L460 HydrophobicContact CB-CD1 4.28Å; D456-L460 HydrophobicContact CB-CG 4.38Å; D456-L460 WeakPolarHBondContact O-CA 3.39Å; D456-L460 WeakPolarHBondContact O-CB 3.4Å; D456-L460 PolarHBondContact O-N 3.07Å
457	K	70.8	Confident	75.3	Confident	124 Å²	124	71.6 Å²	71.6	54%	0.539	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-9	-178.8	-63.9	175.8	-174.7	-179	0	114.2	Q451 N454	Q451-K457 WeakPolarHBondContact O-CE 3.44Å; Q451-K457 PolarHBondContact O-NZ 3.43Å; N454-K457 HydrophobicContact CB-CG 4.17Å
458	N	68.6	Low	74.5	Confident	143 Å²	143	79.8 Å²	79.8	77%	0.765	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-23.1	-179.7	-59.7	-26.3	0	0	0	112.6	D456	D456-N458 PolarHBondContact O-N 3.12Å; D456-N458 VanDerWaalsContact O-N 3.16Å; D456-N458 WeakPolarHBondContact OD1-CB 3.48Å; D456-N458 PolarHBondContact OD1-N 3.37Å
459	T	62.3	Low	73.9	Confident	72 Å²	72	82 Å²	82	44%	0.442	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-17.5	-177.6	70.8	0	0	0	0	114	D456	D456-T459 PolarHBondContact O-N 3.05Å; D456-T459 PolarHBondContact OD1-N 3.36Å; D456-T459 WeakPolarHBondContact OD2-CG2 3.47Å; D456-T459 PolarHBondContact OD2-OG1 3.07Å
460	L	69.2	Low	73.2	Confident	87 Å²	87	82.3 Å²	82.3	46%	0.455	43%	0.428	S	S	.	.			trans	-120.6	149	-179.7	-56.4	175	0	0	0	110.6	N454 P455 D456	N454-L460 PolarHBondContact ND2-O 2.82Å; N454-L460 WeakPolarHBondContact OD1-CB 3.44Å; P455-L460 HydrophobicContact CG-CD1 4.04Å; D456-L460 HydrophobicContact CB-CD1 4.28Å; D456-L460 HydrophobicContact CB-CG 4.38Å; D456-L460 WeakPolarHBondContact O-CA 3.39Å; D456-L460 WeakPolarHBondContact O-CB 3.4Å; D456-L460 PolarHBondContact O-N 3.07Å
461	I	74.1	Confident	72.5	Confident	61 Å²	61	84.6 Å²	84.6	31%	0.313	43%	0.434	S	S	.	.			trans	-122.2	149.7	169.2	60	179.4	0	0	0	109	W431 Y434 W463	W431-I461 HydrophobicContact CE3-CD1 4.44Å; W431-I461 HydrophobicContact CE3-CG2 4.22Å; W431-I461 HydrophobicContact CH2-CD1 3.92Å; W431-I461 HydrophobicContact CZ3-CD1 3.52Å; W431-I461 HydrophobicContact CZ3-CG2 4.17Å; Y434-I461 HydrophobicContact CE1-CD1 4.27Å; I461-W463 HydrophobicContact CD1-CE3 4.1Å; I461-W463 HydrophobicContact CD1-CZ3 4.38Å; I461-W463 PolarHBondContact O-N 3.45Å
462	P	74.8	Confident	71.7	Confident	15 Å²	15	87 Å²	87	10%	0.097	45%	0.448	C	S	.	.			trans	-57.9	132.3	163.6	-21	34.4	0	0	0	109.1	Y434 L435 W447 A450 Q451	Y434-P462 PolarHBondContact OH-O 3.12Å; L435-P462 HydrophobicContact CD2-CG 4.48Å; W447-P462 HydrophobicContact CE3-CB 4.42Å; W447-P462 HydrophobicContact CH2-CB 3.91Å; W447-P462 WeakPolarHBondContact CH2-O 3.28Å; W447-P462 HydrophobicContact CZ3-CB 3.83Å; A450-P462 HydrophobicContact CB-CB 4.09Å; A450-P462 HydrophobicContact CB-CG 4.5Å; Q451-P462 HydrophobicContact CB-CG 4.37Å; Q451-P462 HydrophobicContact CG-CG 3.88Å
463	W	77.9	Confident	70.6	Confident	166 Å²	166	84.9 Å²	84.9	63%	0.629	44%	0.437	S	S	*	.			trans	-124.7	123.2	177.6	-170.1	-88.4	0	0	0	109.1	I461	I461-W463 HydrophobicContact CD1-CE3 4.1Å; I461-W463 HydrophobicContact CD1-CZ3 4.38Å; I461-W463 PolarHBondContact O-N 3.45Å
464	P	75	Confident	69.6	Low	18 Å²	18	85.4 Å²	85.4	12%	0.117	43%	0.431	C	S	.	.			trans	-63.2	139.5	177.1	27.6	-34.6	0	0	0	110.6	Y434 P439 F442	Y434-P464 WeakPolarHBondContact OH-CD 3.36Å; P439-P464 HydrophobicContact CB-CB 4.03Å; P439-P464 HydrophobicContact CB-CG 3.97Å; P439-P464 HydrophobicContact CG-CB 3.95Å; P439-P464 HydrophobicContact CG-CG 3.75Å; F442-P464 HydrophobicContact CD2-CB 3.94Å; F442-P464 HydrophobicContact CE1-CB 4.43Å; F442-P464 HydrophobicContact CE2-CB 3.27Å; F442-P464 HydrophobicContact CZ-CB 3.58Å
465	I	74.7	Confident	68.9	Low	58 Å²	58	87.9 Å²	87.9	30%	0.297	44%	0.439	S	S	.	.			trans	-125.3	106.6	171.1	-56.7	171.1	0	0	0	107.3	E470 L471 R474	I465-E470 WeakPolarHBondContact CA-OE2 3.36Å; I465-E470 HydrophobicContact CG2-CB 3.88Å; I465-L471 HydrophobicContact CG2-CB 3.98Å; I465-L471 HydrophobicContact CG2-CD1 4.49Å; I465-R474 VanDerWaalsContact CD1-CD 3.49Å
466	N	73.7	Confident	69	Low	75 Å²	75	89.5 Å²	89.5	40%	0.401	43%	0.432	S	S	.	.			trans	-93.5	104.3	179.5	-68.8	-59	0	0	0	111.3	F442 E470	F442-N466 WeakPolarHBondContact CE2-OD1 3.3Å; N466-E470 PolarHBondContact N-OE2 3.21Å
467	G	68.3	Low	68.3	Low	52 Å²	52	92.8 Å²	92.8	54%	0.536	45%	0.449	S	S	.	.	H	α-helix	trans	69.2	-175.8	171.4	0	0	0	0	0	115.3	K469 L471	G467-K469 VanDerWaalsContact C-N 3.32Å; G467-K469 PolarHBondContact O-N 3.38Å; G467-L471 PolarHBondContact O-N 3Å
468	F	68.4	Low	67.5	Low	181 Å²	181	91.5 Å²	91.5	79%	0.794	45%	0.445	S	S	*	.	H	α-helix	trans	-68.8	-25.4	-171.7	-69.1	-72.2	0	0	0	114.4	L471 L472	F468-L471 HydrophobicContact CD1-CD2 4.49Å; F468-L472 VanDerWaalsContact O-CB 3.29Å; F468-L472 WeakPolarHBondContact O-CB 3.08Å; F468-L472 PolarHBondContact O-N 3.15Å
469	K	72.6	Confident	66.9	Low	161 Å²	161	86.4 Å²	86.4	70%	0.7	42%	0.419	S	S	*	.	H	α-helix	trans	-65.5	-56.4	179.2	-176.9	-177.6	173.8	-173.2	0	111	G467 L471 L472 D473	G467-K469 VanDerWaalsContact C-N 3.32Å; G467-K469 PolarHBondContact O-N 3.38Å; K469-L471 VanDerWaalsContact C-N 3.27Å; K469-L471 PolarHBondContact O-N 3.22Å; K469-L472 PolarHBondContact O-N 2.88Å; K469-L472 VanDerWaalsContact O-N 3.12Å; K469-D473 PolarHBondContact O-N 3.07Å
470	E	67.9	Low	66.6	Low	79 Å²	79	88.2 Å²	88.2	37%	0.369	42%	0.422	S	S	.	.	H	α-helix	trans	-63.6	-33.6	178.5	-66.2	-176.1	-167.8	0	0	112.1	I465 N466 D473 R474	I465-E470 WeakPolarHBondContact CA-OE2 3.36Å; I465-E470 HydrophobicContact CG2-CB 3.88Å; N466-E470 PolarHBondContact N-OE2 3.21Å; E470-D473 PolarHBondContact O-N 3.07Å; E470-R474 WeakPolarHBondContact O-CB 3.29Å; E470-R474 PolarHBondContact O-N 3.47Å
471	L	61.6	Low	65.7	Low	87 Å²	87	88.7 Å²	88.7	46%	0.455	42%	0.422	S	S	.	.	H	α-helix	trans	-65	-41	173.7	-175.6	62.3	0	0	0	112.3	I465 G467 F468 K469 Y475	I465-L471 HydrophobicContact CG2-CB 3.98Å; I465-L471 HydrophobicContact CG2-CD1 4.49Å; G467-L471 PolarHBondContact O-N 3Å; F468-L471 HydrophobicContact CD1-CD2 4.49Å; K469-L471 VanDerWaalsContact C-N 3.27Å; K469-L471 PolarHBondContact O-N 3.22Å; L471-Y475 PolarHBondContact O-N 3.34Å
472	L	67	Low	64.5	Low	74 Å²	74	89 Å²	89	39%	0.387	42%	0.423	S	S	.	.	H	α-helix	trans	-68.5	-38.9	175.9	-179.4	63.4	0	0	0	111.8	F468 K469 Y475 R476	F468-L472 VanDerWaalsContact O-CB 3.29Å; F468-L472 WeakPolarHBondContact O-CB 3.08Å; F468-L472 PolarHBondContact O-N 3.15Å; K469-L472 PolarHBondContact O-N 2.88Å; K469-L472 VanDerWaalsContact O-N 3.12Å; L472-Y475 HydrophobicContact CD1-CD1 4.43Å; L472-Y475 WeakPolarHBondContact O-CB 3.43Å; L472-Y475 PolarHBondContact O-N 3.27Å; L472-R476 WeakPolarHBondContact O-CG 3.29Å; L472-R476 PolarHBondContact O-N 3.01Å
473	D	59.5	Low	63.7	Low	56 Å²	56	93.8 Å²	93.8	30%	0.299	45%	0.445	S	S	.	.	H	α-helix	trans	-67.7	-39.3	176.3	-68.1	-29.7	0	0	0	111.4	K469 E470 Y475 R476 L477	K469-D473 PolarHBondContact O-N 3.07Å; E470-D473 PolarHBondContact O-N 3.07Å; D473-Y475 VanDerWaalsContact C-N 3.33Å; D473-Y475 PolarHBondContact O-N 3.05Å; D473-R476 WeakPolarHBondContact O-CB 3.38Å; D473-R476 PolarHBondContact O-N 3.43Å; D473-R476 IonicContact OD1-CZ 3.75Å; D473-R476 IonicContact OD1-NH1 3.04Å; D473-R476 PolarHBondContact OD1-NH1 3.27Å; D473-L477 WeakPolarHBondContact O-CG 3.45Å; D473-L477 PolarHBondContact O-N 3.22Å
474	R	60.5	Low	62.4	Low	117 Å²	117	90.7 Å²	90.7	44%	0.442	44%	0.44	S	S	.	.	H	α-helix	trans	-59.5	-40.9	168.6	-178.8	175.8	176.1	128.7	-3.4	112.3	I465 E470 L477 Q478	I465-R474 VanDerWaalsContact CD1-CD 3.49Å; E470-R474 WeakPolarHBondContact O-CB 3.29Å; E470-R474 PolarHBondContact O-N 3.47Å; R474-L477 PolarHBondContact O-N 3.35Å; R474-Q478 VanDerWaalsContact O-CG 3.29Å; R474-Q478 WeakPolarHBondContact O-CG 3.23Å; R474-Q478 PolarHBondContact O-N 2.9Å
475	Y	61.2	Low	61.2	Low	73 Å²	73	94.6 Å²	94.6	29%	0.286	46%	0.456	S	S	.	.	H	α-helix	trans	-64.4	-41.8	175.2	173	-93.2	0	0	0	112.2	L471 L472 D473 Q478 V479	L471-Y475 PolarHBondContact O-N 3.34Å; L472-Y475 HydrophobicContact CD1-CD1 4.43Å; L472-Y475 WeakPolarHBondContact O-CB 3.43Å; L472-Y475 PolarHBondContact O-N 3.27Å; D473-Y475 VanDerWaalsContact C-N 3.33Å; D473-Y475 PolarHBondContact O-N 3.05Å; Y475-Q478 WeakPolarHBondContact O-CB 3.44Å; Y475-Q478 PolarHBondContact O-N 2.76Å; Y475-V479 HydrophobicContact CD1-CG2 4.35Å; Y475-V479 HydrophobicContact CE1-CG2 3.82Å; Y475-V479 HydrophobicContact CE2-CG2 4.24Å; Y475-V479 WeakPolarHBondContact O-CG2 3.46Å; Y475-V479 PolarHBondContact O-N 2.9Å
476	R	68.5	Low	60.2	Low	136 Å²	136	95 Å²	95	51%	0.513	46%	0.457	S	S	.	.	H	α-helix	trans	-59	-47.5	175.1	-72.6	163.9	167.7	165.7	-8.4	111.7	L472 D473 Q478 V479 Q480	L472-R476 WeakPolarHBondContact O-CG 3.29Å; L472-R476 PolarHBondContact O-N 3.01Å; D473-R476 WeakPolarHBondContact O-CB 3.38Å; D473-R476 PolarHBondContact O-N 3.43Å; D473-R476 IonicContact OD1-CZ 3.75Å; D473-R476 IonicContact OD1-NH1 3.04Å; D473-R476 PolarHBondContact OD1-NH1 3.27Å; R476-Q478 VanDerWaalsContact C-N 3.32Å; R476-Q478 PolarHBondContact O-N 3.33Å; R476-V479 PolarHBondContact O-N 3.45Å; R476-Q480 WeakPolarHBondContact O-CG 3.33Å; R476-Q480 PolarHBondContact O-N 2.93Å
477	L	56.8	Low	59.1	Low	113 Å²	113	97 Å²	97	59%	0.592	47%	0.465	S	S	*	.	H	α-helix	trans	-60.6	-39.2	175.6	-68.7	169.6	0	0	0	112.1	D473 R474 Q480 E481	D473-L477 WeakPolarHBondContact O-CG 3.45Å; D473-L477 PolarHBondContact O-N 3.22Å; R474-L477 PolarHBondContact O-N 3.35Å; L477-Q480 PolarHBondContact O-N 3.24Å; L477-E481 WeakPolarHBondContact O-CB 3.47Å; L477-E481 PolarHBondContact O-N 2.91Å
478	Q	54.4	Low	58.1	Low	97 Å²	97	97.7 Å²	97.7	45%	0.453	46%	0.462	S	S	.	.	H	α-helix	trans	-63.6	-40	175.1	-75.2	173.1	-5.7	0	0	112.8	R474 Y475 R476 M482	R474-Q478 VanDerWaalsContact O-CG 3.29Å; R474-Q478 WeakPolarHBondContact O-CG 3.23Å; R474-Q478 PolarHBondContact O-N 2.9Å; Y475-Q478 WeakPolarHBondContact O-CB 3.44Å; Y475-Q478 PolarHBondContact O-N 2.76Å; R476-Q478 VanDerWaalsContact C-N 3.32Å; R476-Q478 PolarHBondContact O-N 3.33Å; Q478-M482 WeakPolarHBondContact O-CB 3.38Å; Q478-M482 VanDerWaalsContact O-CG 3.29Å; Q478-M482 WeakPolarHBondContact O-CG 3.46Å; Q478-M482 PolarHBondContact O-N 3Å
479	V	56.6	Low	57.3	Low	37 Å²	37	91.5 Å²	91.5	22%	0.224	44%	0.437	C	S	.	.	H	α-helix	trans	-65.8	-44.9	176.2	173.7	0	0	0	0	110.9	L124 Y475 R476 M482 E483	L124-V479 HydrophobicContact CD2-CG2 4.33Å; Y475-V479 HydrophobicContact CD1-CG2 4.35Å; Y475-V479 HydrophobicContact CE1-CG2 3.82Å; Y475-V479 HydrophobicContact CE2-CG2 4.24Å; Y475-V479 WeakPolarHBondContact O-CG2 3.46Å; Y475-V479 PolarHBondContact O-N 2.9Å; R476-V479 PolarHBondContact O-N 3.45Å; V479-M482 WeakPolarHBondContact O-CB 3.15Å; V479-M482 PolarHBondContact O-N 3.35Å; V479-E483 WeakPolarHBondContact O-CG 3.5Å; V479-E483 PolarHBondContact O-N 3.02Å
480	Q	55.5	Low	56.5	Low	109 Å²	109	89.6 Å²	89.6	51%	0.509	43%	0.431	S	S	.	.	H	α-helix	trans	-60.9	-46	177.2	-71.2	171.8	-26.9	0	0	112.2	R476 L477 M482 E483 L484	R476-Q480 WeakPolarHBondContact O-CG 3.33Å; R476-Q480 PolarHBondContact O-N 2.93Å; L477-Q480 PolarHBondContact O-N 3.24Å; Q480-M482 VanDerWaalsContact C-N 3.33Å; Q480-M482 PolarHBondContact O-N 3.03Å; Q480-E483 PolarHBondContact O-N 3.1Å; Q480-E483 VanDerWaalsContact O-N 3.17Å; Q480-L484 WeakPolarHBondContact O-CG 3.41Å; Q480-L484 PolarHBondContact O-N 2.94Å
481	E	50.2	Low	55.7	Low	97 Å²	97	92 Å²	92	45%	0.453	44%	0.443	S	S	.	.	H	α-helix	trans	-62.2	-39.8	175.7	178.4	56.4	-150.6	0	0	111.6	L477 E483 L484 Q485	L477-E481 WeakPolarHBondContact O-CB 3.47Å; L477-E481 PolarHBondContact O-N 2.91Å; E481-E483 VanDerWaalsContact C-N 3.34Å; E481-E483 PolarHBondContact O-N 3.29Å; E481-L484 PolarHBondContact O-N 3.04Å; E481-Q485 WeakPolarHBondContact O-CB 3.34Å; E481-Q485 VanDerWaalsContact O-CG 3.25Å; E481-Q485 WeakPolarHBondContact O-CG 3.42Å; E481-Q485 PolarHBondContact O-N 2.74Å; E481-Q485 PolarHBondContact OE1-NE2 3.48Å
482	M	49.6	Very low	55.2	Low	68 Å²	68	92.3 Å²	92.3	34%	0.335	44%	0.441	S	S	.	.	H	α-helix	trans	-62.6	-38.2	173.4	-78.7	179	56.9	0	0	112.9	Q478 V479 Q480 Q485 E486	Q478-M482 WeakPolarHBondContact O-CB 3.38Å; Q478-M482 VanDerWaalsContact O-CG 3.29Å; Q478-M482 WeakPolarHBondContact O-CG 3.46Å; Q478-M482 PolarHBondContact O-N 3Å; V479-M482 WeakPolarHBondContact O-CB 3.15Å; V479-M482 PolarHBondContact O-N 3.35Å; Q480-M482 VanDerWaalsContact C-N 3.33Å; Q480-M482 PolarHBondContact O-N 3.03Å; M482-Q485 PolarHBondContact O-N 2.72Å; M482-E486 PolarHBondContact O-N 3.34Å
483	E	58.2	Low	54.5	Low	116 Å²	116	93.1 Å²	93.1	54%	0.542	44%	0.442	S	S	.	.	H	α-helix	trans	-67.1	-44.2	176.2	-72.9	175.7	172.4	0	0	111.5	V479 Q480 E481 Q485 E486 M487	V479-E483 WeakPolarHBondContact O-CG 3.5Å; V479-E483 PolarHBondContact O-N 3.02Å; Q480-E483 PolarHBondContact O-N 3.1Å; Q480-E483 VanDerWaalsContact O-N 3.17Å; E481-E483 VanDerWaalsContact C-N 3.34Å; E481-E483 PolarHBondContact O-N 3.29Å; E483-Q485 VanDerWaalsContact C-N 3.3Å; E483-Q485 PolarHBondContact O-N 3.47Å; E483-E486 PolarHBondContact O-N 3.49Å; E483-M487 WeakPolarHBondContact O-CB 3.49Å; E483-M487 WeakPolarHBondContact O-CG 3.41Å; E483-M487 PolarHBondContact O-N 3.2Å
484	L	50.3	Low	54.1	Low	100 Å²	100	98.3 Å²	98.3	52%	0.524	46%	0.457	S	S	.	.	H	α-helix	trans	-60.3	-38.1	173.2	-69.9	174.3	0	0	0	112.3	Q480 E481 S488	Q480-L484 WeakPolarHBondContact O-CG 3.41Å; Q480-L484 PolarHBondContact O-N 2.94Å; E481-L484 PolarHBondContact O-N 3.04Å; L484-S488 VanDerWaalsContact O-CB 3.26Å; L484-S488 WeakPolarHBondContact O-CB 3.47Å; L484-S488 PolarHBondContact O-N 3.24Å; L484-S488 PolarHBondContact O-OG 3.33Å
485	Q	49.4	Very low	53.4	Low	101 Å²	101	94 Å²	94	47%	0.472	45%	0.449	S	S	.	.	H	α-helix	trans	-68.9	-43.2	173.6	-71.5	176.4	17.2	0	0	112.2	E481 M482 E483 S488 L489	E481-Q485 WeakPolarHBondContact O-CB 3.34Å; E481-Q485 VanDerWaalsContact O-CG 3.25Å; E481-Q485 WeakPolarHBondContact O-CG 3.42Å; E481-Q485 PolarHBondContact O-N 2.74Å; E481-Q485 PolarHBondContact OE1-NE2 3.48Å; M482-Q485 PolarHBondContact O-N 2.72Å; E483-Q485 VanDerWaalsContact C-N 3.3Å; E483-Q485 PolarHBondContact O-N 3.47Å; Q485-S488 PolarHBondContact O-N 3.28Å; Q485-L489 WeakPolarHBondContact O-CB 3.16Å; Q485-L489 VanDerWaalsContact O-CG 3.28Å; Q485-L489 WeakPolarHBondContact O-CG 3.44Å; Q485-L489 PolarHBondContact O-N 2.97Å
486	E	53.5	Low	52.7	Low	66 Å²	66	91.2 Å²	91.2	31%	0.308	44%	0.439	S	S	.	.	H	α-helix	trans	-62.4	-42.2	173.6	-73.7	-145.1	139.4	0	0	111.2	K120 R122 M482 E483 L489 E490	K120-E486 WeakPolarHBondContact CE-OE1 3.44Å; K120-E486 IonicContact NZ-OE1 3.85Å; K120-E486 PolarHBondContact NZ-OE1 3.06Å; R122-E486 IonicContact CZ-OE1 3.48Å; R122-E486 VanDerWaalsContact CZ-OE1 3.32Å; R122-E486 IonicContact CZ-OE2 2.71Å; R122-E486 IonicContact NE-OE1 3.85Å; R122-E486 PolarHBondContact NE-OE1 2.94Å; R122-E486 IonicContact NH2-OE1 3.76Å; R122-E486 PolarHBondContact NH2-OE1 3.1Å; R122-E486 IonicContact NH2-OE2 3.86Å; R122-E486 PolarHBondContact NH2-OE2 3.24Å; M482-E486 PolarHBondContact O-N 3.34Å; E483-E486 PolarHBondContact O-N 3.49Å; E486-L489 PolarHBondContact O-N 3.28Å; E486-E490 WeakPolarHBondContact O-CG 3.45Å; E486-E490 PolarHBondContact O-N 3.22Å
487	M	51.5	Low	51.7	Low	117 Å²	117	89.9 Å²	89.9	58%	0.576	44%	0.442	S	S	*	.	H	α-helix	trans	-62.9	-44.4	175.1	-74.5	177.4	63.7	0	0	112.7	E483 L489 E490 M491	E483-M487 WeakPolarHBondContact O-CB 3.49Å; E483-M487 WeakPolarHBondContact O-CG 3.41Å; E483-M487 PolarHBondContact O-N 3.2Å; M487-L489 VanDerWaalsContact C-N 3.32Å; M487-L489 PolarHBondContact O-N 3.3Å; M487-E490 PolarHBondContact O-N 3.35Å; M487-M491 PolarHBondContact O-N 3.15Å
488	S	47	Very low	51.2	Low	67 Å²	67	87.7 Å²	87.7	47%	0.469	44%	0.435	S	S	.	.	H	α-helix	trans	-62.2	-41.5	177	-65.2	0	0	0	0	111.3	L484 Q485 F492	L484-S488 VanDerWaalsContact O-CB 3.26Å; L484-S488 WeakPolarHBondContact O-CB 3.47Å; L484-S488 PolarHBondContact O-N 3.24Å; L484-S488 PolarHBondContact O-OG 3.33Å; Q485-S488 PolarHBondContact O-N 3.28Å; S488-F492 WeakPolarHBondContact O-CB 3.5Å; S488-F492 PolarHBondContact O-N 3.31Å
489	L	50.6	Low	50.8	Low	50 Å²	50	85.6 Å²	85.6	26%	0.262	43%	0.429	S	S	.	.	H	α-helix	trans	-64.9	-42.1	172.1	-72.6	170.1	0	0	0	111.7	F118 Q485 E486 M487 F492 F493	F118-L489 HydrophobicContact CD1-CD2 3.99Å; F118-L489 HydrophobicContact CE1-CD2 4.05Å; Q485-L489 WeakPolarHBondContact O-CB 3.16Å; Q485-L489 VanDerWaalsContact O-CG 3.28Å; Q485-L489 WeakPolarHBondContact O-CG 3.44Å; Q485-L489 PolarHBondContact O-N 2.97Å; E486-L489 PolarHBondContact O-N 3.28Å; M487-L489 VanDerWaalsContact C-N 3.32Å; M487-L489 PolarHBondContact O-N 3.3Å; L489-F492 PolarHBondContact O-N 3.12Å; L489-F493 HydrophobicContact CB-CD2 4.34Å; L489-F493 HydrophobicContact CB-CE2 4.23Å; L489-F493 WeakPolarHBondContact O-CB 3.29Å; L489-F493 WeakPolarHBondContact O-CD2 3.29Å; L489-F493 WeakPolarHBondContact O-CG 3.4Å; L489-F493 PolarHBondContact O-N 3.3Å
490	E	57.7	Low	50.2	Low	122 Å²	122	87 Å²	87	57%	0.57	43%	0.432	S	S	*	.	H	α-helix	trans	-61.9	-44.3	176.1	-77	-138.6	158.7	0	0	112.5	E486 M487 F492 F493 R494	E486-E490 WeakPolarHBondContact O-CG 3.45Å; E486-E490 PolarHBondContact O-N 3.22Å; M487-E490 PolarHBondContact O-N 3.35Å; E490-F492 VanDerWaalsContact C-N 3.33Å; E490-F492 PolarHBondContact O-N 2.71Å; E490-F493 PolarHBondContact O-N 3.24Å; E490-R494 WeakPolarHBondContact O-CB 3.48Å; E490-R494 WeakPolarHBondContact O-CG 3.38Å; E490-R494 PolarHBondContact O-N 2.96Å
491	M	49.9	Very low	49.7	Very low	128 Å²	128	85 Å²	85	63%	0.631	43%	0.431	S	S	*	.	H	α-helix	trans	-60.6	-43.9	174.4	-73.4	-163.9	-70.2	0	0	111.3	M487 R494 G495	M487-M491 PolarHBondContact O-N 3.15Å; M491-R494 PolarHBondContact O-N 2.93Å; M491-G495 PolarHBondContact O-N 3.35Å
492	F	51.6	Low	49.6	Very low	94 Å²	94	89 Å²	89	41%	0.412	44%	0.442	S	S	.	.	H	α-helix	trans	-64.2	-40.6	176.3	179.4	-102	0	0	0	112.4	L154 S488 L489 E490 G495 L496	L154-F492 HydrophobicContact CD1-CE1 3.56Å; L154-F492 HydrophobicContact CD1-CZ 4.26Å; S488-F492 WeakPolarHBondContact O-CB 3.5Å; S488-F492 PolarHBondContact O-N 3.31Å; L489-F492 PolarHBondContact O-N 3.12Å; E490-F492 VanDerWaalsContact C-N 3.33Å; E490-F492 PolarHBondContact O-N 2.71Å; F492-G495 CarbonylContact O-C 3.53Å; F492-G495 PolarHBondContact O-N 3.04Å; F492-L496 HydrophobicContact CD1-CD1 3.83Å; F492-L496 HydrophobicContact CE1-CD1 3.45Å; F492-L496 VanDerWaalsContact CE1-CD1 3.45Å; F492-L496 HydrophobicContact CZ-CD1 3.98Å; F492-L496 PolarHBondContact O-N 2.61Å
493	F	51.4	Low	49.2	Very low	91 Å²	91	87.1 Å²	87.1	40%	0.399	44%	0.44	S	S	.	.	H	α-helix	trans	-66.9	-39	173.6	-78	-58.1	0	0	0	112.6	L489 E490 G495 L496 L497	L489-F493 HydrophobicContact CB-CD2 4.34Å; L489-F493 HydrophobicContact CB-CE2 4.23Å; L489-F493 WeakPolarHBondContact O-CB 3.29Å; L489-F493 WeakPolarHBondContact O-CD2 3.29Å; L489-F493 WeakPolarHBondContact O-CG 3.4Å; L489-F493 PolarHBondContact O-N 3.3Å; E490-F493 PolarHBondContact O-N 3.24Å; F493-G495 VanDerWaalsContact C-N 3.35Å; F493-L496 HydrophobicContact CD1-CD1 4.12Å; F493-L496 VanDerWaalsContact O-CB 3.29Å; F493-L496 WeakPolarHBondContact O-CB 3.37Å; F493-L496 PolarHBondContact O-N 3.47Å; F493-L496 VanDerWaalsContact O-N 3.15Å; F493-L497 WeakPolarHBondContact O-CG 3.34Å; F493-L497 PolarHBondContact O-N 2.97Å
494	R	51.8	Low	48.5	Very low	166 Å²	166	86.9 Å²	86.9	63%	0.626	44%	0.442	S	S	*	.	H	α-helix	trans	-61	-43.8	171.3	-76.7	-179.9	175.9	-145	5.8	111.2	E490 M491 L496 L497 S498	E490-R494 WeakPolarHBondContact O-CB 3.48Å; E490-R494 WeakPolarHBondContact O-CG 3.38Å; E490-R494 PolarHBondContact O-N 2.96Å; M491-R494 PolarHBondContact O-N 2.93Å; R494-L496 VanDerWaalsContact C-N 3.27Å; R494-L496 PolarHBondContact O-N 3.09Å; R494-L497 PolarHBondContact O-N 3.19Å; R494-S498 PolarHBondContact O-N 3.06Å; R494-S498 PolarHBondContact O-OG 3.32Å
495	G	46.1	Very low	48.3	Very low	27 Å²	27	89.4 Å²	89.4	28%	0.278	45%	0.449	S	S	.	.	H	α-helix	trans	-68.2	-20.5	173.5	0	0	0	0	0	114.3	K162 M491 F492 F493 S498 V499	K162-G495 PolarHBondContact NZ-O 3.12Å; M491-G495 PolarHBondContact O-N 3.35Å; F492-G495 CarbonylContact O-C 3.53Å; F492-G495 PolarHBondContact O-N 3.04Å; F493-G495 VanDerWaalsContact C-N 3.35Å; G495-S498 PolarHBondContact O-OG 3.38Å; G495-V499 VanDerWaalsContact O-CG2 3.32Å; G495-V499 WeakPolarHBondContact O-CG2 3.35Å
496	L	46.1	Very low	48.1	Very low	14 Å²	14	90.3 Å²	90.3	7%	0.073	45%	0.453	C	S	.	.	H	α-helix	trans	-72.6	-51.3	166.7	-103.4	144.7	0	0	0	110.6	L154 K162 F492 F493 R494 S498 V499 F500	L154-L496 HydrophobicContact CD1-CD1 4.16Å; K162-L496 HydrophobicContact CB-CD2 4.07Å; K162-L496 HydrophobicContact CD-CB 4.41Å; K162-L496 HydrophobicContact CD-CD2 3.41Å; K162-L496 VanDerWaalsContact CD-CD2 3.41Å; K162-L496 HydrophobicContact CD-CG 3.66Å; K162-L496 HydrophobicContact CG-CD2 4.28Å; F492-L496 HydrophobicContact CD1-CD1 3.83Å; F492-L496 HydrophobicContact CE1-CD1 3.45Å; F492-L496 VanDerWaalsContact CE1-CD1 3.45Å; F492-L496 HydrophobicContact CZ-CD1 3.98Å; F492-L496 PolarHBondContact O-N 2.61Å; F493-L496 HydrophobicContact CD1-CD1 4.12Å; F493-L496 VanDerWaalsContact O-CB 3.29Å; F493-L496 WeakPolarHBondContact O-CB 3.37Å; F493-L496 PolarHBondContact O-N 3.47Å; F493-L496 VanDerWaalsContact O-N 3.15Å; R494-L496 VanDerWaalsContact C-N 3.27Å; R494-L496 PolarHBondContact O-N 3.09Å; L496-S498 PolarHBondContact O-N 3.18Å; L496-V499 PolarHBondContact O-N 3.4Å; L496-F500 HydrophobicContact CB-CE2 4.35Å; L496-F500 HydrophobicContact CD2-CD2 4.35Å; L496-F500 HydrophobicContact CD2-CE2 3.42Å; L496-F500 VanDerWaalsContact CD2-CE2 3.42Å; L496-F500 HydrophobicContact CD2-CZ 3.8Å; L496-F500 WeakPolarHBondContact O-CD2 3.46Å; L496-F500 PolarHBondContact O-N 2.93Å; L496-F500 VanDerWaalsContact O-N 3.07Å
497	L	48.2	Very low	47.7	Very low	108 Å²	108	91.6 Å²	91.6	57%	0.565	47%	0.466	S	S	*	.	H	α-helix	trans	-62	-41.6	-179	-69	169.4	0	0	0	112.8	F493 R494 V499 F500 S501	F493-L497 WeakPolarHBondContact O-CG 3.34Å; F493-L497 PolarHBondContact O-N 2.97Å; R494-L497 PolarHBondContact O-N 3.19Å; L497-V499 VanDerWaalsContact C-N 3.29Å; L497-V499 PolarHBondContact O-N 3.44Å; L497-F500 PolarHBondContact O-N 3.44Å; L497-S501 PolarHBondContact O-N 2.97Å; L497-S501 PolarHBondContact O-OG 3.31Å
498	S	46	Very low	47.1	Very low	66 Å²	66	91.2 Å²	91.2	46%	0.462	47%	0.465	S	S	.	.	H	α-helix	trans	-64.6	-32.5	178.4	63.4	0	0	0	0	113.2	R494 G495 L496 R502	R494-S498 PolarHBondContact O-N 3.06Å; R494-S498 PolarHBondContact O-OG 3.32Å; G495-S498 PolarHBondContact O-OG 3.38Å; L496-S498 PolarHBondContact O-N 3.18Å; S498-R502 WeakPolarHBondContact O-CG 3.49Å; S498-R502 PolarHBondContact O-N 3.24Å
499	V	46.3	Very low	46.9	Very low	53 Å²	53	94 Å²	94	32%	0.321	47%	0.474	S	S	.	.	H	α-helix	trans	-72.1	-44.2	174.2	171	0	0	0	0	110.7	K162 G495 L496 L497 S501 R502 G503	K162-V499 HydrophobicContact CD-CB 4.24Å; K162-V499 HydrophobicContact CD-CG1 4.17Å; K162-V499 HydrophobicContact CG-CG1 4.11Å; G495-V499 VanDerWaalsContact O-CG2 3.32Å; G495-V499 WeakPolarHBondContact O-CG2 3.35Å; L496-V499 PolarHBondContact O-N 3.4Å; L497-V499 VanDerWaalsContact C-N 3.29Å; L497-V499 PolarHBondContact O-N 3.44Å; V499-S501 PolarHBondContact O-N 3.48Å; V499-R502 PolarHBondContact O-N 2.84Å; V499-G503 PolarHBondContact O-N 3.39Å
500	F	42.3	Very low	46.6	Very low	66 Å²	66	97.4 Å²	97.4	29%	0.289	49%	0.492	S	S	.	.	H	α-helix	trans	-60.4	-46.2	175.4	-70	-55.3	0	0	0	112.2	K162 L496 L497 R502 G503 D504	K162-F500 HydrophobicContact CB-CE1 3.89Å; K162-F500 HydrophobicContact CB-CZ 3.83Å; K162-F500 WeakPolarHBondContact O-CE1 3.3Å; L496-F500 HydrophobicContact CB-CE2 4.35Å; L496-F500 HydrophobicContact CD2-CD2 4.35Å; L496-F500 HydrophobicContact CD2-CE2 3.42Å; L496-F500 VanDerWaalsContact CD2-CE2 3.42Å; L496-F500 HydrophobicContact CD2-CZ 3.8Å; L496-F500 WeakPolarHBondContact O-CD2 3.46Å; L496-F500 PolarHBondContact O-N 2.93Å; L496-F500 VanDerWaalsContact O-N 3.07Å; L497-F500 PolarHBondContact O-N 3.44Å; F500-R502 PolarHBondContact O-N 3.12Å; F500-G503 PolarHBondContact O-N 3.46Å; F500-G503 VanDerWaalsContact O-N 3.12Å; F500-D504 PolarHBondContact O-N 3.34Å
501	S	46.3	Very low	45.7	Very low	69 Å²	69	94.9 Å²	94.9	48%	0.483	49%	0.488	S	S	.	.	H	α-helix	trans	-67.8	-15.6	178.5	-58.6	0	0	0	0	114.8	L497 V499 K505	L497-S501 PolarHBondContact O-N 2.97Å; L497-S501 PolarHBondContact O-OG 3.31Å; V499-S501 PolarHBondContact O-N 3.48Å; S501-K505 WeakPolarHBondContact O-CG 3.49Å
502	R	47.3	Very low	45.5	Very low	181 Å²	181	96.2 Å²	96.2	68%	0.683	49%	0.49	S	S	*	.	H	α-helix	trans	-81.9	-45.9	167.2	-76.2	-176.2	178.8	-167.7	-1	111.2	S498 V499 F500 D504 K505 E506	S498-R502 WeakPolarHBondContact O-CG 3.49Å; S498-R502 PolarHBondContact O-N 3.24Å; V499-R502 PolarHBondContact O-N 2.84Å; F500-R502 PolarHBondContact O-N 3.12Å; R502-D504 VanDerWaalsContact C-N 3.31Å; R502-D504 PolarHBondContact O-N 3.08Å; R502-K505 PolarHBondContact O-N 3.42Å; R502-E506 PolarHBondContact O-N 3.03Å
503	G	41.3	Very low	45.2	Very low	28 Å²	28	95 Å²	95	29%	0.289	50%	0.504	S	S	.	.	H	α-helix	trans	-56.7	-41.7	176.2	0	0	0	0	0	113.1	V499 F500 K505 E506 T507	V499-G503 PolarHBondContact O-N 3.39Å; F500-G503 PolarHBondContact O-N 3.46Å; F500-G503 VanDerWaalsContact O-N 3.12Å; G503-K505 VanDerWaalsContact C-N 3.32Å; G503-K505 PolarHBondContact O-N 2.87Å; G503-E506 PolarHBondContact O-N 3.36Å; G503-T507 WeakPolarHBondContact O-CB 2.94Å; G503-T507 PolarHBondContact O-N 3.08Å; G503-T507 PolarHBondContact O-OG1 3.24Å
504	D	42.9	Very low	44.8	Very low	111 Å²	111	101 Å²	101	59%	0.594	52%	0.524	S	S	*	.	H	α-helix	trans	-61.9	-38.7	175.5	-68.4	-25.8	0	0	0	112	F500 R502 L508	F500-D504 PolarHBondContact O-N 3.34Å; R502-D504 VanDerWaalsContact C-N 3.31Å; R502-D504 PolarHBondContact O-N 3.08Å; D504-L508 WeakPolarHBondContact O-CB 3.34Å; D504-L508 PolarHBondContact O-N 3.38Å; D504-L508 VanDerWaalsContact O-N 3.08Å
505	K	47	Very low	44.2	Very low	152 Å²	152	100.8 Å²	100.8	66%	0.661	53%	0.53	S	S	*	.	H	α-helix	trans	-72.1	-43.7	177.7	-74	-176.3	176.1	-169.6	0	112.7	S501 R502 G503 T507 L508 L509	S501-K505 WeakPolarHBondContact O-CG 3.49Å; R502-K505 PolarHBondContact O-N 3.42Å; G503-K505 VanDerWaalsContact C-N 3.32Å; G503-K505 PolarHBondContact O-N 2.87Å; K505-T507 VanDerWaalsContact C-N 3.33Å; K505-L508 PolarHBondContact O-N 3.5Å; K505-L509 WeakPolarHBondContact O-CG 3.39Å; K505-L509 PolarHBondContact O-N 3.22Å
506	E	45.8	Very low	43.6	Very low	121 Å²	121	112.9 Å²	112.9	57%	0.565	58%	0.575	S	S	*	*	H	α-helix	trans	-64.5	-39.2	176.9	-74	170.3	-176.5	0	0	111	R502 G503 L508 L509 L510	R502-E506 PolarHBondContact O-N 3.03Å; G503-E506 PolarHBondContact O-N 3.36Å; E506-L508 PolarHBondContact O-N 3.23Å; E506-L509 PolarHBondContact O-N 2.95Å; E506-L510 WeakPolarHBondContact O-CB 3.49Å; E506-L510 WeakPolarHBondContact O-CG 3.47Å; E506-L510 PolarHBondContact O-N 3.31Å
507	T	44.5	Very low	43.5	Very low	93 Å²	93	117.9 Å²	117.9	57%	0.571	60%	0.601	S	S	*	*	H	α-helix	trans	-64	-40.4	174	-50.6	0	0	0	0	111.5	G503 K505 L509 L510 S511	G503-T507 WeakPolarHBondContact O-CB 2.94Å; G503-T507 PolarHBondContact O-N 3.08Å; G503-T507 PolarHBondContact O-OG1 3.24Å; K505-T507 VanDerWaalsContact C-N 3.33Å; T507-L509 VanDerWaalsContact C-N 3.34Å; T507-L509 PolarHBondContact O-N 3.16Å; T507-L510 PolarHBondContact O-N 3.39Å; T507-S511 PolarHBondContact O-N 3.13Å; T507-S511 PolarHBondContact O-OG 3.24Å
508	L	38.2	Very low	43.3	Very low	109 Å²	109	118.4 Å²	118.4	57%	0.571	60%	0.602	S	S	*	*	H	α-helix	trans	-66.8	-31.3	175.7	-133.6	90.4	0	0	0	113.6	D504 K505 E506 S511 K512	D504-L508 WeakPolarHBondContact O-CB 3.34Å; D504-L508 PolarHBondContact O-N 3.38Å; D504-L508 VanDerWaalsContact O-N 3.08Å; K505-L508 PolarHBondContact O-N 3.5Å; E506-L508 PolarHBondContact O-N 3.23Å; L508-S511 PolarHBondContact O-OG 3.19Å; L508-K512 WeakPolarHBondContact O-CG 3.43Å; L508-K512 PolarHBondContact O-N 3.35Å
509	L	44.2	Very low	43.1	Very low	125 Å²	125	121.3 Å²	121.3	65%	0.654	61%	0.61	S	S	*	*	H	α-helix	trans	-75.3	-42.1	176.1	-72.9	166.8	0	0	0	110.8	K505 E506 T507 S511 K512 G513	K505-L509 WeakPolarHBondContact O-CG 3.39Å; K505-L509 PolarHBondContact O-N 3.22Å; E506-L509 PolarHBondContact O-N 2.95Å; T507-L509 VanDerWaalsContact C-N 3.34Å; T507-L509 PolarHBondContact O-N 3.16Å; L509-S511 VanDerWaalsContact C-N 3.33Å; L509-S511 PolarHBondContact O-N 2.95Å; L509-K512 PolarHBondContact O-N 3.21Å; L509-G513 PolarHBondContact O-N 3.15Å; L509-G513 VanDerWaalsContact O-N 3.12Å
510	L	43	Very low	42.9	Very low	121 Å²	121	125.3 Å²	125.3	63%	0.634	63%	0.627	S	S	*	*	H	α-helix	trans	-66.6	-31.2	176.4	-73.2	165.9	0	0	0	113	E506 T507	E506-L510 WeakPolarHBondContact O-CB 3.49Å; E506-L510 WeakPolarHBondContact O-CG 3.47Å; E506-L510 PolarHBondContact O-N 3.31Å; T507-L510 PolarHBondContact O-N 3.39Å
511	S	39.9	Very low	43	Very low	70 Å²	70	129 Å²	129	49%	0.49	65%	0.648	S	S	.	*	H	α-helix	trans	-72.1	-32.1	173.4	61.7	0	0	0	0	113	T507 L508 L509	T507-S511 PolarHBondContact O-N 3.13Å; T507-S511 PolarHBondContact O-OG 3.24Å; L508-S511 PolarHBondContact O-OG 3.19Å; L509-S511 VanDerWaalsContact C-N 3.33Å; L509-S511 PolarHBondContact O-N 2.95Å
512	K	46	Very low	42.7	Very low	156 Å²	156	133 Å²	133	68%	0.678	66%	0.659	S	S	*	*	H	α-helix	trans	-80.8	-17.3	177.6	-73.7	-172.3	174.3	-164.5	0	114.1	L508 L509	L508-K512 WeakPolarHBondContact O-CG 3.43Å; L508-K512 PolarHBondContact O-N 3.35Å; L509-K512 PolarHBondContact O-N 3.21Å
513	G	44.7	Very low	42.4	Very low	67 Å²	67	129.6 Å²	129.6	69%	0.691	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	12	178.6	0	0	0	0	0	115.5	L509	L509-G513 PolarHBondContact O-N 3.15Å; L509-G513 VanDerWaalsContact O-N 3.12Å
514	R	43.3	Very low	42.5	Very low	218 Å²	218	137.4 Å²	137.4	82%	0.823	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.1	9	-179.9	-71.4	-168.9	-178.9	-165.9	1	114.5
515	E	38.5	Very low	42.5	Very low	162 Å²	162	139.6 Å²	139.6	76%	0.757	69%	0.694	S	S	*	*			trans	-107.8	58.2	174.7	-66.9	-176.8	154.8	0	0	110.5
516	F	34.7	Very low	42.1	Very low	281 Å²	281	138.5 Å²	138.5	100%	1.232	70%	0.697	S	S	*	*			trans	-155.9	0	165.5	-90.6	-69.1	0	0	0	110.2

Retrieved 516 of 516 residues in 200.3 ms (Link to these results)

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