G4VLZ9_SCHMA Loading...

Uridine kinase

AlphaFold DB , UniProt , Accession G4VLZ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 565 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.5	Very low	33	Very low	242 Å²	242	137 Å²	137	100%	1.192	81%	0.805	S	S	*	*				0	83.9	0	-61	167.9	-179.9	0	0	105.1
2	A	32.5	Very low	33	Very low	100 Å²	100	134.5 Å²	134.5	83%	0.826	80%	0.8	S	S	*	*				69.7	132.2	63.4	0	0	0	0	0	111
3	S	32	Very low	33	Very low	102 Å²	102	130.5 Å²	130.5	71%	0.713	78%	0.783	S	S	*	*			cis	-161.4	132.2	4.4	35.6	0	0	0	0	107.4
4	S	29.9	Very low	33.2	Very low	114 Å²	114	135.7 Å²	135.7	80%	0.797	78%	0.784	S	S	*	*				65.6	106.4	66.2	74.1	0	0	0	0	115.8
5	S	36.3	Very low	33.4	Very low	121 Å²	121	134.6 Å²	134.6	85%	0.846	77%	0.774	S	S	*	*			trans	-165.1	143.1	157.9	56	0	0	0	0	110.6
6	E	31.2	Very low	33.5	Very low	192 Å²	192	135.9 Å²	135.9	90%	0.897	77%	0.771	S	S	*	*			trans	-117.4	-159.4	-172.9	-61	166.9	106.2	0	0	111.7
7	S	33.4	Very low	33.5	Very low	109 Å²	109	137.3 Å²	137.3	76%	0.762	77%	0.77	S	S	*	*			trans	87.4	147.7	159.5	105.6	0	0	0	0	118.3
8	D	31.6	Very low	33.5	Very low	135 Å²	135	135.6 Å²	135.6	72%	0.722	76%	0.763	S	S	*	*			cis	-169.2	173.2	-13.7	-127.1	-35.2	0	0	0	113.6
9	I	33.6	Very low	33.5	Very low	146 Å²	146	134.3 Å²	134.3	75%	0.749	76%	0.759	S	S	*	*			trans	63.2	153.5	147.4	-73.9	167.1	0	0	0	118.8
10	S	30.7	Very low	33.5	Very low	86 Å²	86	136 Å²	136	60%	0.601	76%	0.76	S	S	*	*			cis	-165.7	-164.7	-27.3	64.2	0	0	0	0	107.4
11	E	34.4	Very low	33.4	Very low	160 Å²	160	136.1 Å²	136.1	75%	0.748	76%	0.764	S	S	*	*			cis	-168.8	169.5	-2.1	-135.9	157.4	-63.5	0	0	112.1
12	S	32.6	Very low	33	Very low	107 Å²	107	132 Å²	132	75%	0.748	75%	0.747	S	S	*	*			trans	68	153.7	147.1	77.3	0	0	0	0	121.4
13	S	33.5	Very low	33.1	Very low	83 Å²	83	133.5 Å²	133.5	58%	0.58	75%	0.746	S	S	*	*			cis	-172.2	171	-18.2	47	0	0	0	0	113.1
14	Y	36	Very low	33	Very low	203 Å²	203	134.4 Å²	134.4	80%	0.796	75%	0.749	S	S	*	*			trans	72.8	145.2	164.4	-56.8	-65.3	0	0	0	119.4
15	D	36	Very low	33.1	Very low	119 Å²	119	140.8 Å²	140.8	64%	0.636	76%	0.756	S	S	*	*			cis	-157.2	166.6	-7.8	-129.1	-24.8	0	0	0	115.5
16	Q	34.8	Very low	32.9	Very low	155 Å²	155	142 Å²	142	72%	0.724	75%	0.751	S	S	*	*			trans	15.9	151.8	148.1	-77.3	172.3	8	0	0	123.5
17	E	33.1	Very low	33	Very low	160 Å²	160	140.8 Å²	140.8	75%	0.748	75%	0.75	S	S	*	*			cis	-168.3	173.9	-6.4	-131.8	-175	-179.3	0	0	114.4
18	V	34.3	Very low	33	Very low	107 Å²	107	144.6 Å²	144.6	65%	0.648	75%	0.753	S	S	*	*			trans	79.4	99.7	144.2	164.9	0	0	0	0	124.3
19	T	32.3	Very low	33.1	Very low	111 Å²	111	142.9 Å²	142.9	68%	0.681	75%	0.752	S	S	*	*			trans	79.5	125.4	133.7	63.7	0	0	0	0	127.6
20	H	33.5	Very low	33	Very low	167 Å²	167	141.8 Å²	141.8	77%	0.773	75%	0.754	S	S	*	*			trans	47	112.9	135.8	-63.3	-65.7	0	0	0	124.3
21	T	32.3	Very low	32.9	Very low	139 Å²	139	147.1 Å²	147.1	85%	0.853	77%	0.767	S	S	*	*				177.4	159.6	97.6	29.6	0	0	0	0	112.4
22	D	29.4	Very low	32.6	Very low	157 Å²	157	146 Å²	146	84%	0.84	77%	0.771	S	S	*	*			trans	-86.7	127.7	-165.5	-56.6	-93	0	0	0	116.5
23	V	33.2	Very low	32.3	Very low	131 Å²	131	146.9 Å²	146.9	79%	0.794	77%	0.771	S	S	*	*			trans	-147.7	131.1	155	-174.3	0	0	0	0	109.3
24	P	31	Very low	31.8	Very low	120 Å²	120	147.6 Å²	147.6	78%	0.779	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-71.4	135.4	-176.6	27.8	-35.1	0	0	0	113.3
25	R	31.5	Very low	31.4	Very low	249 Å²	249	144.6 Å²	144.6	94%	0.94	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-82.9	120.6	177.6	-76.4	-174.2	173.5	-179	-0.5	112.2	N27	R25-N27 PolarHBondContact O-N 3.07Å
26	I	33	Very low	31	Very low	146 Å²	146	143.4 Å²	143.4	75%	0.749	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-71.7	118.4	176.4	-61.8	167	0	0	0	110.4	K28	I26-K28 HydrophobicContact CG2-CG 4.31Å; I26-K28 PolarHBondContact O-N 3.31Å
27	N	33.1	Very low	30.6	Very low	166 Å²	166	141 Å²	141	89%	0.888	78%	0.78	S	S	*	*			trans	-67.4	109.3	166.1	-92	-18.8	0	0	0	110.1	R25	R25-N27 PolarHBondContact O-N 3.07Å
28	K	32.7	Very low	30.2	Very low	190 Å²	190	140.3 Å²	140.3	83%	0.826	79%	0.787	S	S	*	*			trans	-91.3	106.6	172	-72.4	179.8	178.6	172.9	0	109.9	I26	I26-K28 HydrophobicContact CG2-CG 4.31Å; I26-K28 PolarHBondContact O-N 3.31Å
29	S	33.5	Very low	29.9	Very low	98 Å²	98	139.7 Å²	139.7	69%	0.685	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-62	153	163	47.4	0	0	0	0	110.9	K31	S29-K31 PolarHBondContact O-N 3.1Å
30	P	32.9	Very low	29.7	Very low	124 Å²	124	145.5 Å²	145.5	81%	0.805	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-65.6	124.1	176.3	27.2	-33.7	0	0	0	109.9	V32	P30-V32 PolarHBondContact O-N 3.23Å
31	K	27.4	Very low	29.5	Very low	197 Å²	197	140 Å²	140	86%	0.857	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-63.5	117.7	176.1	-77.1	-171.2	171.6	-170.4	0	110.2	S29 V33	S29-K31 PolarHBondContact O-N 3.1Å; K31-V33 PolarHBondContact O-N 2.83Å
32	V	28.3	Very low	29.5	Very low	138 Å²	138	140.5 Å²	140.5	84%	0.836	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-63.7	121.6	160.9	178.6	0	0	0	0	107.5	P30 S34	P30-V32 PolarHBondContact O-N 3.23Å; V32-S34 PolarHBondContact O-N 2.92Å
33	V	25.6	Very low	29.9	Very low	124 Å²	124	137 Å²	137	75%	0.752	77%	0.774	S	S	*	*			trans	-84.4	96.2	176.9	179.8	0	0	0	0	108.5	K31 V35	K31-V33 PolarHBondContact O-N 2.83Å; V33-V35 HydrophobicContact CG1-CG2 4.45Å; V33-V35 PolarHBondContact O-N 3.05Å
34	S	24.6	Very low	30.1	Very low	99 Å²	99	137.2 Å²	137.2	69%	0.692	77%	0.766	S	S	*	*			trans	-70.7	114.6	169.3	52.9	0	0	0	0	110.1	V32 S36	V32-S34 PolarHBondContact O-N 2.92Å; S34-S36 PolarHBondContact O-N 3.28Å
35	V	27.4	Very low	30.8	Very low	139 Å²	139	133.6 Å²	133.6	84%	0.842	74%	0.743	S	S	*	*			trans	-89.6	86.2	172.2	-174.8	0	0	0	0	108.6	V33	V33-V35 HydrophobicContact CG1-CG2 4.45Å; V33-V35 PolarHBondContact O-N 3.05Å
36	S	26.3	Very low	31.7	Very low	95 Å²	95	122.7 Å²	122.7	66%	0.664	70%	0.703	S	S	*	*			trans	-84.1	121.8	178.6	55	0	0	0	0	111.9	S34	S34-S36 PolarHBondContact O-N 3.28Å
37	S	27.8	Very low	32.2	Very low	103 Å²	103	119.4 Å²	119.4	72%	0.72	69%	0.687	S	S	*	*			trans	-8.4	129.7	159.6	53.9	0	0	0	0	118.9
38	T	24.9	Very low	33	Very low	147 Å²	147	121 Å²	121	90%	0.902	68%	0.681	S	S	*	*			trans	-169.4	78.5	133.8	11.5	0	0	0	0	112.6
39	A	27.6	Very low	33.8	Very low	93 Å²	93	116.3 Å²	116.3	77%	0.769	67%	0.668	S	S	*	*			trans	176.5	120	152.2	0	0	0	0	0	110	G41	A39-G41 VanDerWaalsContact C-N 3.27Å; A39-G41 PolarHBondContact O-N 2.89Å
40	W	28.1	Very low	34.9	Very low	233 Å²	233	115.1 Å²	115.1	88%	0.883	67%	0.671	S	S	*	*			trans	-93.2	57.5	166.5	-79.3	91.3	0	0	0	110.7
41	G	30.1	Very low	35.3	Very low	52 Å²	52	117.6 Å²	117.6	54%	0.536	68%	0.677	S	S	.	*	S	Bend	trans	-86.5	156	153.4	0	0	0	0	0	109	A39 P43	A39-G41 VanDerWaalsContact C-N 3.27Å; A39-G41 PolarHBondContact O-N 2.89Å; G41-P43 WeakPolarHBondContact O-CD 3.36Å
42	L	31.2	Very low	35.6	Very low	149 Å²	149	117.5 Å²	117.5	78%	0.78	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-55.9	121.7	171.2	-74.6	164.2	0	0	0	108.6	E44	L42-E44 PolarHBondContact O-N 2.82Å
43	P	38	Very low	36.4	Very low	85 Å²	85	114.4 Å²	114.4	55%	0.552	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-63.5	139.3	176.2	27.7	-33.8	0	0	0	108.6	G41	G41-P43 WeakPolarHBondContact O-CD 3.36Å
44	E	37.8	Very low	37.5	Very low	134 Å²	134	112.6 Å²	112.6	63%	0.626	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-55.4	146.6	177.5	-67	-171.7	137.1	0	0	110.4	L42 V46 T56	L42-E44 PolarHBondContact O-N 2.82Å; E44-V46 PolarHBondContact O-N 3Å; E44-T56 WeakPolarHBondContact O-CG2 3.48Å; E44-T56 PolarHBondContact O-OG1 3.35Å
45	P	45.9	Very low	38.7	Very low	45 Å²	45	111.1 Å²	111.1	29%	0.292	62%	0.619	S	S	.	*	S	Bend	trans	-57.7	-21.5	178	24.5	-35.3	0	0	0	112.2	F55 T56 D97	P45-F55 CarbonylContact O-C 3.58Å; P45-F55 WeakPolarHBondContact O-CA 3.31Å; P45-T56 VanDerWaalsContact CA-OG1 3.26Å; P45-T56 WeakPolarHBondContact CA-OG1 3.35Å; P45-T56 PolarHBondContact O-N 3.27Å; P45-T56 PolarHBondContact O-OG1 2.97Å; P45-D97 WeakPolarHBondContact CG-OD2 3.08Å
46	V	49.7	Very low	40	Very low	19 Å²	19	106.1 Å²	106.1	12%	0.115	59%	0.589	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-138.1	101.4	-176.6	176.1	0	0	0	0	110.8	E44 R48 T53 F55 D97	E44-V46 PolarHBondContact O-N 3Å; V46-R48 HydrophobicContact CG1-CG 3.96Å; V46-T53 HydrophobicContact CG1-CG2 3.38Å; V46-F55 HydrophobicContact CG2-CD1 3.62Å; V46-F55 HydrophobicContact CG2-CE1 3.89Å; V46-F55 HydrophobicContact CG2-CG 4.48Å; V46-D97 WeakPolarHBondContact CG2-OD1 3.1Å
47	L	44.1	Very low	41.6	Very low	77 Å²	77	105.3 Å²	105.3	40%	0.403	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.8	119.6	168.1	-66.6	172.5	0	0	0	110	I54 T56	L47-I54 HydrophobicContact CB-CB 4.24Å; L47-I54 PolarHBondContact N-O 2.84Å; L47-I54 WeakPolarHBondContact O-CA 3.41Å; L47-I54 WeakPolarHBondContact O-CB 3.42Å; L47-I54 PolarHBondContact O-N 2.82Å; L47-T56 HydrophobicContact CD1-CG2 3.95Å; L47-T56 HydrophobicContact CG-CG2 4.06Å
48	R	48.7	Very low	43.3	Very low	200 Å²	200	100.6 Å²	100.6	76%	0.755	54%	0.543	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	117.6	179.7	-60.2	-174.2	-177.6	-155	-2.4	111.2	V46	V46-R48 HydrophobicContact CG1-CG 3.96Å
49	V	50.1	Low	45.6	Very low	92 Å²	92	93.9 Å²	93.9	56%	0.558	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	91.5	178.7	-176.2	0	0	0	0	109.1	N51 R52 I54	V49-N51 PolarHBondContact O-N 2.86Å; V49-R52 PolarHBondContact N-O 3.4Å; V49-R52 WeakPolarHBondContact O-CB 3.38Å; V49-R52 PolarHBondContact O-N 3.4Å; V49-R52 VanDerWaalsContact O-N 3.12Å; V49-I54 HydrophobicContact CB-CD1 4.29Å; V49-I54 HydrophobicContact CG2-CD1 3.78Å
50	G	57.1	Low	47.7	Very low	72 Å²	72	92 Å²	92	74%	0.742	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	-131.9	-169.6	0	0	0	0	0	111	R52	G50-R52 PolarHBondContact O-N 3.36Å; G50-R52 VanDerWaalsContact O-N 3.17Å
51	N	41.3	Very low	49.7	Very low	177 Å²	177	81.7 Å²	81.7	95%	0.947	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	15.9	176.3	-67.7	4.4	0	0	0	113.8	V49	V49-N51 PolarHBondContact O-N 2.86Å
52	R	33.7	Very low	51.8	Low	194 Å²	194	79.4 Å²	79.4	73%	0.732	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.3	124.5	179	-63.9	-176.4	178.8	177	0.5	111.7	V49 G50	V49-R52 PolarHBondContact N-O 3.4Å; V49-R52 WeakPolarHBondContact O-CB 3.38Å; V49-R52 PolarHBondContact O-N 3.4Å; V49-R52 VanDerWaalsContact O-N 3.12Å; G50-R52 PolarHBondContact O-N 3.36Å; G50-R52 VanDerWaalsContact O-N 3.17Å
53	T	45.3	Very low	53.8	Low	74 Å²	74	72.3 Å²	72.3	45%	0.454	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	103.9	173.6	-50.6	0	0	0	0	108.6	V46 F55	V46-T53 HydrophobicContact CG1-CG2 3.38Å; T53-F55 HydrophobicContact CG2-CD2 4.1Å; T53-F55 HydrophobicContact CG2-CE1 4.09Å; T53-F55 HydrophobicContact CG2-CE2 3.62Å; T53-F55 HydrophobicContact CG2-CZ 3.61Å
54	I	47.4	Very low	55.3	Low	86 Å²	86	69.7 Å²	69.7	44%	0.441	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	99.2	175.1	-54.8	175.6	0	0	0	107.5	L47 V49	L47-I54 HydrophobicContact CB-CB 4.24Å; L47-I54 PolarHBondContact N-O 2.84Å; L47-I54 WeakPolarHBondContact O-CA 3.41Å; L47-I54 WeakPolarHBondContact O-CB 3.42Å; L47-I54 PolarHBondContact O-N 2.82Å; V49-I54 HydrophobicContact CB-CD1 4.29Å; V49-I54 HydrophobicContact CG2-CD1 3.78Å
55	F	50.6	Low	56.6	Low	67 Å²	67	63.8 Å²	63.8	29%	0.294	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	149.3	173.8	-58.5	-95.9	0	0	0	110.8	P45 V46 T53 Q99	P45-F55 CarbonylContact O-C 3.58Å; P45-F55 WeakPolarHBondContact O-CA 3.31Å; V46-F55 HydrophobicContact CG2-CD1 3.62Å; V46-F55 HydrophobicContact CG2-CE1 3.89Å; V46-F55 HydrophobicContact CG2-CG 4.48Å; T53-F55 HydrophobicContact CG2-CD2 4.1Å; T53-F55 HydrophobicContact CG2-CE1 4.09Å; T53-F55 HydrophobicContact CG2-CE2 3.62Å; T53-F55 HydrophobicContact CG2-CZ 3.61Å; F55-Q99 HydrophobicContact CB-CG 3.23Å; F55-Q99 VanDerWaalsContact CB-NE2 3.31Å; F55-Q99 HydrophobicContact CD1-CG 4.19Å; F55-Q99 HydrophobicContact CD2-CG 4.34Å; F55-Q99 HydrophobicContact CG-CG 3.72Å; F55-Q99 PolarHBondContact O-NE2 3.13Å
56	T	54	Low	57.6	Low	35 Å²	35	65.6 Å²	65.6	22%	0.215	34%	0.342	C	S	.	.			trans	-106.7	-32.7	-176.9	55.2	0	0	0	0	114.3	E44 P45 L47 H462	E44-T56 WeakPolarHBondContact O-CG2 3.48Å; E44-T56 PolarHBondContact O-OG1 3.35Å; P45-T56 VanDerWaalsContact CA-OG1 3.26Å; P45-T56 WeakPolarHBondContact CA-OG1 3.35Å; P45-T56 PolarHBondContact O-N 3.27Å; P45-T56 PolarHBondContact O-OG1 2.97Å; L47-T56 HydrophobicContact CD1-CG2 3.95Å; L47-T56 HydrophobicContact CG-CG2 4.06Å; T56-H462 PolarHBondContact O-CE1 3.47Å; T56-H462 PolarHBondContact O-ND1 2.95Å
57	H	61	Low	58.3	Low	78 Å²	78	65.1 Å²	65.1	36%	0.361	34%	0.341	S	S	.	.			trans	-81.2	123.8	-179.8	-70.3	-70.4	0	0	0	114.6	Q99 E460	H57-Q99 WeakPolarHBondContact O-CG 3.27Å; H57-Q99 PolarHBondContact O-NE2 3.41Å; H57-Q99 PolarHBondContact O-OE1 3.26Å; H57-E460 IonicContact ND1-OE2 2.71Å
58	G	62.3	Low	59.6	Low	4 Å²	4	67.4 Å²	67.4	4%	0.041	35%	0.349	C	S	.	.			trans	-78.4	-172.4	-178.4	0	0	0	0	0	114.1	P60 W100 E460 L461 H462	G58-P60 WeakPolarHBondContact O-CD 3.49Å; G58-W100 VanDerWaalsContact C-NE1 3.31Å; G58-E460 PolarHBondContact N-OE2 3.42Å; G58-L461 CarbonylContact C-O 3.52Å; G58-L461 WeakPolarHBondContact CA-O 3.45Å; G58-H462 PolarHBondContact N-CE1 2.85Å
59	R	73.8	Confident	60.7	Low	6 Å²	6	60.2 Å²	60.2	2%	0.023	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-75.6	112.7	-178.2	-159.9	174.7	168.4	-155.3	-4.6	109.9	W62 W100 G173 E460 L461 E497	R59-W62 HydrophobicContact CB-CE3 4.46Å; R59-W62 HydrophobicContact CB-CZ3 4.15Å; R59-W62 HydrophobicContact CG-CE3 3.76Å; R59-W62 HydrophobicContact CG-CZ3 3.88Å; R59-W62 VanDerWaalsContact CZ-CE3 3.47Å; R59-W62 VanDerWaalsContact NE-CE3 3.35Å; R59-W100 VanDerWaalsContact CA-NE1 3.34Å; R59-W100 HydrophobicContact CB-CD2 3.62Å; R59-W100 HydrophobicContact CB-CE3 4.3Å; R59-W100 HydrophobicContact CB-CG 3.7Å; R59-W100 HydrophobicContact CB-CZ2 4.12Å; R59-W100 HydrophobicContact CG-CB 3.98Å; R59-W100 HydrophobicContact CG-CD2 3.7Å; R59-W100 HydrophobicContact CG-CE3 4.18Å; R59-W100 HydrophobicContact CG-CG 3.52Å; R59-G173 PolarHBondContact NE-O 3.44Å; R59-G173 PolarHBondContact NH1-O 3.49Å; R59-G173 VanDerWaalsContact NH1-O 3.17Å; R59-G173 PolarHBondContact NH2-O 2.88Å; R59-G173 VanDerWaalsContact NH2-O 3.09Å; R59-E460 WeakPolarHBondContact O-CA 3.44Å; R59-L461 HydrophobicContact CB-CB 3.76Å; R59-L461 HydrophobicContact CB-CD2 4.3Å; R59-L461 PolarHBondContact N-O 3.37Å; R59-L461 PolarHBondContact O-N 3.5Å; R59-L461 VanDerWaalsContact O-N 3.1Å; R59-E497 IonicContact NH1-OE2 2.9Å
60	P	70.9	Confident	61.8	Low	53 Å²	53	57.8 Å²	57.8	34%	0.344	31%	0.31	S	S	.	.			trans	-65.7	160.7	171.6	30.9	-36.6	0	0	0	109.9	G58 W62	G58-P60 WeakPolarHBondContact O-CD 3.49Å; P60-W62 PolarHBondContact O-N 2.87Å
61	P	70	Confident	62.8	Low	16 Å²	16	60.5 Å²	60.5	10%	0.104	30%	0.304	C	S	.	.			trans	-54.9	132	-178.4	-25.4	36	0	0	0	112.2	Y63 T281 E458 P459 M490	P61-Y63 HydrophobicContact CB-CD1 4.42Å; P61-Y63 HydrophobicContact CB-CE1 4.03Å; P61-Y63 HydrophobicContact CB-CE2 4.4Å; P61-T281 HydrophobicContact CB-CG2 3.77Å; P61-T281 HydrophobicContact CG-CG2 4.22Å; P61-E458 HydrophobicContact CG-CB 4.24Å; P61-P459 WeakPolarHBondContact CD-O 3.49Å; P61-P459 HydrophobicContact CG-CG 4.06Å; P61-M490 HydrophobicContact CB-CE 4.33Å; P61-M490 HydrophobicContact CG-CE 3.99Å
62	W	74.9	Confident	64.9	Low	4 Å²	4	52.6 Å²	52.6	2%	0.015	26%	0.262	C	S	.	.			trans	-109.9	18.2	179.4	61.8	95.2	0	0	0	112	R59 P60 Q70 N175 L461 M490 R493 I494 E497	R59-W62 HydrophobicContact CB-CE3 4.46Å; R59-W62 HydrophobicContact CB-CZ3 4.15Å; R59-W62 HydrophobicContact CG-CE3 3.76Å; R59-W62 HydrophobicContact CG-CZ3 3.88Å; R59-W62 VanDerWaalsContact CZ-CE3 3.47Å; R59-W62 VanDerWaalsContact NE-CE3 3.35Å; P60-W62 PolarHBondContact O-N 2.87Å; W62-Q70 PolarHBondContact O-N 2.96Å; W62-N175 VanDerWaalsContact CB-OD1 3.26Å; W62-N175 WeakPolarHBondContact CB-OD1 3.36Å; W62-L461 HydrophobicContact CH2-CD2 4.4Å; W62-M490 HydrophobicContact CE3-CE 4.27Å; W62-M490 HydrophobicContact CH2-CG 3.95Å; W62-M490 HydrophobicContact CZ3-CE 3.73Å; W62-M490 HydrophobicContact CZ3-CG 4.08Å; W62-M490 HydrophobicContact CZ3-SD 4.12Å; W62-R493 HydrophobicContact CZ2-CB 4.44Å; W62-R493 HydrophobicContact CZ2-CG 3.83Å; W62-I494 HydrophobicContact CH2-CD1 4.15Å; W62-I494 HydrophobicContact CH2-CG1 3.75Å; W62-I494 HydrophobicContact CZ2-CG1 3.98Å; W62-E497 WeakPolarHBondContact CZ2-OE2 3.47Å; W62-E497 PolarHBondContact NE1-OE1 3.49Å; W62-E497 PolarHBondContact NE1-OE2 2.96Å
63	Y	72.6	Confident	67.5	Low	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-131.2	155.1	179.6	53	-88.1	0	0	0	108.6	P61 Q68 F285 A486 I489 M490 R493	P61-Y63 HydrophobicContact CB-CD1 4.42Å; P61-Y63 HydrophobicContact CB-CE1 4.03Å; P61-Y63 HydrophobicContact CB-CE2 4.4Å; Y63-Q68 CarbonylContact C-O 3.59Å; Y63-Q68 WeakPolarHBondContact CA-O 3.41Å; Y63-Q68 WeakPolarHBondContact CB-O 3.5Å; Y63-F285 HydrophobicContact CE2-CE2 4.24Å; Y63-F285 HydrophobicContact CE2-CZ 4.21Å; Y63-A486 PolarHBondContact OH-O 3.15Å; Y63-I489 HydrophobicContact CD2-CG2 4.22Å; Y63-I489 HydrophobicContact CE2-CG2 3.56Å; Y63-M490 HydrophobicContact CE1-CB 4.35Å; Y63-M490 HydrophobicContact CE1-CE 4.22Å; Y63-M490 WeakPolarHBondContact OH-CA 3.21Å; Y63-M490 WeakPolarHBondContact OH-CB 3.3Å; Y63-M490 PolarHBondContact OH-N 2.96Å; Y63-R493 HydrophobicContact CD1-CB 4.47Å; Y63-R493 HydrophobicContact CD1-CG 3.99Å; Y63-R493 HydrophobicContact CE1-CB 4.47Å; Y63-R493 HydrophobicContact CE1-CG 4.42Å
64	N	71	Confident	69.7	Low	30 Å²	30	41.1 Å²	41.1	16%	0.16	21%	0.211	C	C	.	.			trans	-79.7	177.4	175	66.1	4.7	0	0	0	111.1	E66 G67 Q68	N64-E66 WeakPolarHBondContact CB-OE2 3.48Å; N64-E66 PolarHBondContact ND2-OE2 3.15Å; N64-E66 PolarHBondContact O-N 3.19Å; N64-E66 VanDerWaalsContact O-N 3.11Å; N64-E66 VanDerWaalsContact OD1-C 3.25Å; N64-E66 WeakPolarHBondContact OD1-CA 3.07Å; N64-E66 WeakPolarHBondContact OD1-CB 3.24Å; N64-E66 PolarHBondContact OD1-N 3.47Å; N64-E66 PolarHBondContact OD1-OE2 3.09Å; N64-G67 PolarHBondContact O-N 2.82Å; N64-G67 PolarHBondContact OD1-N 3.42Å; N64-G67 VanDerWaalsContact OD1-N 3.09Å; N64-Q68 PolarHBondContact N-O 2.91Å; N64-Q68 PolarHBondContact ND2-OE1 3.16Å; N64-Q68 WeakPolarHBondContact OD1-CA 3.41Å; N64-Q68 WeakPolarHBondContact OD1-CB 3.35Å; N64-Q68 PolarHBondContact OD1-N 2.83Å; N64-Q68 PolarHBondContact OD1-O 2.72Å
65	A	64.8	Low	71.9	Confident	10 Å²	10	37 Å²	37	8%	0.083	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-7.9	179	0	0	0	0	0	112.9	G67 K284 F285	A65-G67 VanDerWaalsContact C-N 3.33Å; A65-K284 HydrophobicContact CB-CB 3.57Å; A65-K284 HydrophobicContact CB-CD 3.28Å; A65-K284 HydrophobicContact CB-CG 4.11Å; A65-F285 HydrophobicContact CB-CE1 4.42Å; A65-F285 HydrophobicContact CB-CZ 4.42Å; A65-F285 WeakPolarHBondContact O-CE1 3.39Å
66	E	66	Low	74	Confident	84 Å²	84	33.9 Å²	33.9	39%	0.393	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	5.7	176.1	-51.2	72.1	-162.5	0	0	110.7	N64 Q68 K284	N64-E66 WeakPolarHBondContact CB-OE2 3.48Å; N64-E66 PolarHBondContact ND2-OE2 3.15Å; N64-E66 PolarHBondContact O-N 3.19Å; N64-E66 VanDerWaalsContact O-N 3.11Å; N64-E66 VanDerWaalsContact OD1-C 3.25Å; N64-E66 WeakPolarHBondContact OD1-CA 3.07Å; N64-E66 WeakPolarHBondContact OD1-CB 3.24Å; N64-E66 PolarHBondContact OD1-N 3.47Å; N64-E66 PolarHBondContact OD1-OE2 3.09Å; E66-Q68 PolarHBondContact O-N 2.64Å; E66-K284 IonicContact OE1-NZ 3.41Å; E66-K284 PolarHBondContact OE1-NZ 3.5Å; E66-K284 IonicContact OE2-NZ 2.72Å
67	G	65.6	Low	76	Confident	9 Å²	9	32.2 Å²	32.2	9%	0.093	17%	0.166	C	C	.	.	S	Bend	trans	77.1	-4.2	175.3	0	0	0	0	0	116.4	N64 A65	N64-G67 PolarHBondContact O-N 2.82Å; N64-G67 PolarHBondContact OD1-N 3.42Å; N64-G67 VanDerWaalsContact OD1-N 3.09Å; A65-G67 VanDerWaalsContact C-N 3.33Å
68	Q	70.7	Confident	77.7	Confident	124 Å²	124	28.5 Å²	28.5	58%	0.579	15%	0.149	S	C	*	.	P	Polyproline II helix	trans	-76.1	138.7	-176.7	-54.2	167	-20.1	0	0	110	Y63 N64 E66	Y63-Q68 CarbonylContact C-O 3.59Å; Y63-Q68 WeakPolarHBondContact CA-O 3.41Å; Y63-Q68 WeakPolarHBondContact CB-O 3.5Å; N64-Q68 PolarHBondContact N-O 2.91Å; N64-Q68 PolarHBondContact ND2-OE1 3.16Å; N64-Q68 WeakPolarHBondContact OD1-CA 3.41Å; N64-Q68 WeakPolarHBondContact OD1-CB 3.35Å; N64-Q68 PolarHBondContact OD1-N 2.83Å; N64-Q68 PolarHBondContact OD1-O 2.72Å; E66-Q68 PolarHBondContact O-N 2.64Å
69	T	70.9	Confident	79.2	Confident	50 Å²	50	28.3 Å²	28.3	31%	0.307	15%	0.147	S	C	.	.	B	Isolated β-bridge	trans	-63.3	135.8	177.8	-6.2	0	0	0	0	111.4	R493	T69-R493 VanDerWaalsContact CG2-NH2 3.29Å; T69-R493 PolarHBondContact OG1-NH1 3.46Å; T69-R493 PolarHBondContact OG1-NH2 2.83Å
70	Q	73.1	Confident	80	Confident	41 Å²	41	28 Å²	28	19%	0.192	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-76.1	139.6	159.6	-57.9	-174.9	1.1	0	0	108.5	W62 C277	W62-Q70 PolarHBondContact O-N 2.96Å; Q70-C277 PolarHBondContact NE2-O 3.23Å; Q70-C277 VanDerWaalsContact OE1-CB 3.26Å; Q70-C277 PolarHBondContact OE1-O 3.32Å; Q70-C277 VanDerWaalsContact OE1-O 3.1Å
71	Q	78.7	Confident	81	Confident	129 Å²	129	26.1 Å²	26.1	60%	0.603	13%	0.134	S	C	*	.	P	Polyproline II helix	trans	-70	134.5	175.5	-68.6	-166.7	20.6	0	0	110
72	P	85.4	Confident	81.9	Confident	11 Å²	11	26.4 Å²	26.4	7%	0.071	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-74	147.6	179.1	33.5	-37.9	0	0	0	111	V74 R147 A174 I177	P72-V74 PolarHBondContact O-N 3.4Å; P72-R147 WeakPolarHBondContact CD-O 3.43Å; P72-R147 HydrophobicContact CG-CB 4.49Å; P72-R147 HydrophobicContact CG-CG 4.48Å; P72-A174 WeakPolarHBondContact CB-O 3.17Å; P72-I177 HydrophobicContact CB-CD1 3.69Å; P72-I177 HydrophobicContact CB-CG1 4.23Å; P72-I177 HydrophobicContact CG-CD1 3.53Å
73	F	87.7	Confident	82.7	Confident	27 Å²	27	26.2 Å²	26.2	12%	0.118	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	113	178.4	-170.2	-108.2	0	0	0	110.5	I75 N175 I176 I177 D195 L196 I270 R273	F73-I75 HydrophobicContact CD1-CD1 4.04Å; F73-I75 HydrophobicContact CD1-CG1 3.75Å; F73-I75 HydrophobicContact CE1-CD1 4.13Å; F73-I75 HydrophobicContact CE1-CG1 3.74Å; F73-N175 PolarHBondContact N-O 2.79Å; F73-I176 WeakPolarHBondContact O-CA 3.46Å; F73-I177 PolarHBondContact O-N 3.38Å; F73-D195 HydrophobicContact CD2-CB 3.72Å; F73-D195 HydrophobicContact CE2-CB 3.53Å; F73-D195 HydrophobicContact CZ-CB 4.26Å; F73-L196 HydrophobicContact CE1-CB 4.13Å; F73-L196 HydrophobicContact CE1-CD2 4.37Å; F73-L196 HydrophobicContact CZ-CB 3.94Å; F73-I270 HydrophobicContact CE1-CG1 4.18Å; F73-R273 HydrophobicContact CD2-CG 4.49Å; F73-R273 HydrophobicContact CE2-CG 4.2Å; F73-R273 HydrophobicContact CZ-CG 4.38Å
74	V	92	Very high	83.5	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	120.4	-173.5	-179.1	0	0	0	0	111.1	P72 L143 I177 I179 L193 M194 D195 L196	P72-V74 PolarHBondContact O-N 3.4Å; V74-L143 HydrophobicContact CG1-CD1 3.88Å; V74-L143 HydrophobicContact CG1-CD2 4.25Å; V74-L143 HydrophobicContact CG2-CD1 4.19Å; V74-I177 WeakPolarHBondContact CA-O 3.48Å; V74-I177 HydrophobicContact CG2-CB 4.39Å; V74-I177 HydrophobicContact CG2-CD1 4.18Å; V74-I179 HydrophobicContact CG1-CG2 4.39Å; V74-L193 WeakPolarHBondContact CB-O 3.34Å; V74-M194 HydrophobicContact CG1-CB 4.26Å; V74-M194 HydrophobicContact CG1-CG 3.96Å; V74-D195 PolarHBondContact N-OD2 3.07Å; V74-D195 PolarHBondContact O-N 3.21Å; V74-L196 PolarHBondContact O-N 3.24Å; V74-L196 VanDerWaalsContact O-N 3.1Å
75	I	93.5	Very high	84.5	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	113.2	-179.6	-53.3	166	0	0	0	109.6	F73 I77 I176 I177 I178 I179 L196 V198 I270	F73-I75 HydrophobicContact CD1-CD1 4.04Å; F73-I75 HydrophobicContact CD1-CG1 3.75Å; F73-I75 HydrophobicContact CE1-CD1 4.13Å; F73-I75 HydrophobicContact CE1-CG1 3.74Å; I75-I77 HydrophobicContact CG2-CG1 4.28Å; I75-I176 HydrophobicContact CD1-CG2 3.57Å; I75-I176 HydrophobicContact CG1-CG2 4.29Å; I75-I177 PolarHBondContact N-O 3.4Å; I75-I178 HydrophobicContact CB-CG1 4.33Å; I75-I178 HydrophobicContact CD1-CG1 4.23Å; I75-I178 CarbonylContact O-C 3.58Å; I75-I178 WeakPolarHBondContact O-CA 3.46Å; I75-I179 PolarHBondContact O-N 2.99Å; I75-L196 CarbonylContact C-O 3.53Å; I75-L196 WeakPolarHBondContact CA-O 3.41Å; I75-L196 HydrophobicContact CG1-CB 4.37Å; I75-L196 HydrophobicContact CG1-CD2 4.45Å; I75-L196 HydrophobicContact CG2-CB 4.46Å; I75-L196 HydrophobicContact CG2-CD2 4.22Å; I75-L196 HydrophobicContact CG2-CG 4.43Å; I75-V198 HydrophobicContact CG2-CG2 4.21Å; I75-I270 HydrophobicContact CD1-CD1 3.42Å; I75-I270 VanDerWaalsContact CD1-CD1 3.42Å; I75-I270 HydrophobicContact CD1-CG1 3.83Å
76	G	95.5	Very high	85.7	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	132.7	171.3	0	0	0	0	0	112.5	I179 L196 V198	G76-I179 CarbonylContact C-O 3.57Å; G76-I179 WeakPolarHBondContact CA-O 3.39Å; G76-L196 PolarHBondContact N-O 3.22Å; G76-V198 PolarHBondContact O-N 3.02Å
77	I	95.7	Very high	86.8	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	97.6	177.9	-56.1	178.4	0	0	0	108.9	I75 K85 V88 A89 I92 I178 I179 E180 G181 V198 V200	I75-I77 HydrophobicContact CG2-CG1 4.28Å; I77-K85 HydrophobicContact CG2-CB 3.95Å; I77-K85 HydrophobicContact CG2-CG 4.2Å; I77-K85 WeakPolarHBondContact O-CD 3.23Å; I77-V88 HydrophobicContact CD1-CG1 4.2Å; I77-V88 HydrophobicContact CG2-CG1 4.39Å; I77-A89 HydrophobicContact CD1-CB 3.85Å; I77-I92 HydrophobicContact CD1-CD1 4.2Å; I77-I178 HydrophobicContact CD1-CG2 3.46Å; I77-I178 VanDerWaalsContact CD1-CG2 3.46Å; I77-I178 HydrophobicContact CG1-CG2 4.07Å; I77-I179 PolarHBondContact N-O 3.09Å; I77-E180 HydrophobicContact CB-CB 3.98Å; I77-E180 HydrophobicContact CG2-CB 4.5Å; I77-E180 WeakPolarHBondContact O-CA 3.48Å; I77-G181 PolarHBondContact O-N 3.26Å; I77-G181 VanDerWaalsContact O-N 3.09Å; I77-V198 CarbonylContact C-O 3.39Å; I77-V198 WeakPolarHBondContact CA-O 3.39Å; I77-V198 HydrophobicContact CG1-CB 4.42Å; I77-V200 HydrophobicContact CG2-CG2 3.67Å
78	C	95.7	Very high	88	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	173.3	177.6	-157.1	0	0	0	0	111.9	G181 I182 F185 V198 F199 V200	C78-G181 WeakPolarHBondContact CA-O 3.3Å; C78-I182 PolarHBondContact SG-O 3.4Å; C78-I182 VanDerWaalsContact SG-O 3.39Å; C78-F185 HydrophobicContact CB-CD1 3.98Å; C78-F185 HydrophobicContact CB-CD2 3.37Å; C78-F185 HydrophobicContact CB-CE1 3.89Å; C78-F185 HydrophobicContact CB-CE2 3.29Å; C78-F185 HydrophobicContact CB-CG 3.7Å; C78-F185 HydrophobicContact CB-CZ 3.53Å; C78-V198 PolarHBondContact N-O 3.42Å; C78-F199 HydrophobicContact CB-CD2 4.17Å; C78-V200 PolarHBondContact O-N 2.89Å
79	G	93.7	Very high	89	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.119	C	C	.	.			trans	138.7	165.5	178	0	0	0	0	0	113.5	K85	G79-K85 PolarHBondContact O-NZ 3.28Å
80	G	91.8	Very high	89.8	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.01	13%	0.131	C	C	.	.	S	Bend	trans	-59	163.9	-171.9	0	0	0	0	0	115.3	A82 S83 K85	G80-A82 PolarHBondContact O-N 3.31Å; G80-S83 PolarHBondContact O-N 3.3Å; G80-S83 VanDerWaalsContact O-N 3.14Å; G80-S83 PolarHBondContact O-OG 3.24Å; G80-K85 PolarHBondContact O-NZ 2.75Å
81	S	91.2	Very high	90.4	Very high	13 Å²	13	25.4 Å²	25.4	9%	0.091	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	131.9	171	-152.5	0	0	0	0	109.7	S83 R207 R211	S81-S83 VanDerWaalsContact C-N 3.25Å; S81-S83 PolarHBondContact O-N 3.48Å; S81-S83 VanDerWaalsContact O-N 3.16Å; S81-R207 WeakPolarHBondContact O-CB 3.49Å; S81-R207 WeakPolarHBondContact O-CD 3.42Å; S81-R207 WeakPolarHBondContact O-CG 3.46Å; S81-R211 PolarHBondContact OG-NH1 3.22Å
82	A	89.2	Confident	90.8	Very high	21 Å²	21	19.3 Å²	19.3	17%	0.174	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	15.5	-175.4	0	0	0	0	0	118	G80 G84 R207 R210 R211	G80-A82 PolarHBondContact O-N 3.31Å; A82-G84 PolarHBondContact O-N 2.88Å; A82-R207 WeakPolarHBondContact CB-O 3.37Å; A82-R210 HydrophobicContact CB-CB 3.78Å; A82-R210 WeakPolarHBondContact O-CD 3.43Å; A82-R210 PolarHBondContact O-NH1 3.49Å; A82-R211 HydrophobicContact CB-CB 4.04Å
83	S	91.5	Very high	90.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-64.2	-20.8	173.4	71.6	0	0	0	0	114	G80 S81 V200 T202 R210	G80-S83 PolarHBondContact O-N 3.3Å; G80-S83 VanDerWaalsContact O-N 3.14Å; G80-S83 PolarHBondContact O-OG 3.24Å; S81-S83 VanDerWaalsContact C-N 3.25Å; S81-S83 PolarHBondContact O-N 3.48Å; S81-S83 VanDerWaalsContact O-N 3.16Å; S83-V200 VanDerWaalsContact CB-O 3.28Å; S83-V200 WeakPolarHBondContact CB-O 3.14Å; S83-V200 PolarHBondContact OG-O 2.95Å; S83-V200 VanDerWaalsContact OG-O 3.12Å; S83-T202 PolarHBondContact O-OG1 3.2Å; S83-T202 VanDerWaalsContact O-OG1 3.05Å; S83-R210 PolarHBondContact O-NH1 2.95Å
84	G	89.9	Confident	90.6	Very high	12 Å²	12	25.2 Å²	25.2	12%	0.124	13%	0.134	C	C	.	.	S	Bend	trans	105.7	17.7	178.3	0	0	0	0	0	114.6	A82 T86 S87 V88	A82-G84 PolarHBondContact O-N 2.88Å; G84-T86 VanDerWaalsContact C-N 3.33Å; G84-T86 PolarHBondContact O-N 3.06Å; G84-S87 CarbonylContact O-C 3.55Å; G84-S87 WeakPolarHBondContact O-CA 3.41Å; G84-S87 VanDerWaalsContact O-CB 3.27Å; G84-S87 WeakPolarHBondContact O-CB 3.41Å; G84-S87 PolarHBondContact O-N 2.61Å; G84-V88 PolarHBondContact O-N 3.38Å
85	K	92.6	Very high	90.2	Very high	14 Å²	14	28.1 Å²	28.1	6%	0.061	15%	0.154	C	C	.	.	H	α-helix	trans	-39.7	-56.3	170.8	-63.3	-175.8	-68.7	-77.5	0	113.6	I77 G79 G80 S87 V88 A89 E180 G181 I182 V200	I77-K85 HydrophobicContact CG2-CB 3.95Å; I77-K85 HydrophobicContact CG2-CG 4.2Å; I77-K85 WeakPolarHBondContact O-CD 3.23Å; G79-K85 PolarHBondContact O-NZ 3.28Å; G80-K85 PolarHBondContact O-NZ 2.75Å; K85-S87 PolarHBondContact O-N 2.94Å; K85-V88 WeakPolarHBondContact O-CB 3.34Å; K85-V88 PolarHBondContact O-N 3.33Å; K85-V88 VanDerWaalsContact O-N 3.11Å; K85-A89 PolarHBondContact O-N 3.46Å; K85-E180 HydrophobicContact CB-CB 4.45Å; K85-E180 WeakPolarHBondContact CB-OE2 3.34Å; K85-E180 WeakPolarHBondContact CE-OE2 3.47Å; K85-G181 WeakPolarHBondContact CD-O 3.44Å; K85-I182 VanDerWaalsContact NZ-CG2 3.34Å; K85-V200 HydrophobicContact CG-CB 4.33Å; K85-V200 HydrophobicContact CG-CG2 4.44Å
86	T	88.7	Confident	89.4	Confident	53 Å²	53	28.5 Å²	28.5	33%	0.325	16%	0.156	S	C	.	.	H	α-helix	trans	-63.8	-28.2	-179.5	-29.5	0	0	0	0	112.5	G84 R90 E180	G84-T86 VanDerWaalsContact C-N 3.33Å; G84-T86 PolarHBondContact O-N 3.06Å; T86-R90 WeakPolarHBondContact O-CB 2.98Å; T86-R90 VanDerWaalsContact O-CG 3.26Å; T86-R90 WeakPolarHBondContact O-CG 3.29Å; T86-R90 PolarHBondContact O-N 2.8Å; T86-E180 PolarHBondContact OG1-OE1 3.06Å; T86-E180 PolarHBondContact OG1-OE2 2.81Å
87	S	89.2	Confident	88.1	Confident	62 Å²	62	32.4 Å²	32.4	43%	0.434	18%	0.177	S	C	.	.	H	α-helix	trans	-74.3	-41.5	172.7	-47.1	0	0	0	0	111.8	G84 K85 R90 V91	G84-S87 CarbonylContact O-C 3.55Å; G84-S87 WeakPolarHBondContact O-CA 3.41Å; G84-S87 VanDerWaalsContact O-CB 3.27Å; G84-S87 WeakPolarHBondContact O-CB 3.41Å; G84-S87 PolarHBondContact O-N 2.61Å; K85-S87 PolarHBondContact O-N 2.94Å; S87-R90 PolarHBondContact O-N 3.38Å; S87-V91 WeakPolarHBondContact O-CG2 3.5Å; S87-V91 PolarHBondContact O-N 2.78Å
88	V	91.5	Very high	86.5	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.3	-46.3	172.6	169.5	0	0	0	0	110.1	I77 G84 K85 V91 I92 V200 L263	I77-V88 HydrophobicContact CD1-CG1 4.2Å; I77-V88 HydrophobicContact CG2-CG1 4.39Å; G84-V88 PolarHBondContact O-N 3.38Å; K85-V88 WeakPolarHBondContact O-CB 3.34Å; K85-V88 PolarHBondContact O-N 3.33Å; K85-V88 VanDerWaalsContact O-N 3.11Å; V88-V91 PolarHBondContact O-N 2.9Å; V88-I92 HydrophobicContact CG1-CD1 3.78Å; V88-I92 WeakPolarHBondContact O-CB 3.35Å; V88-I92 WeakPolarHBondContact O-CD1 3.21Å; V88-I92 VanDerWaalsContact O-CG1 3.25Å; V88-I92 WeakPolarHBondContact O-CG1 3.41Å; V88-I92 PolarHBondContact O-N 3.49Å; V88-V200 HydrophobicContact CB-CG2 4.14Å; V88-V200 HydrophobicContact CG1-CG2 4.24Å; V88-V200 HydrophobicContact CG2-CG1 4.2Å; V88-V200 HydrophobicContact CG2-CG2 3.8Å; V88-L263 HydrophobicContact CB-CD2 4.25Å; V88-L263 HydrophobicContact CG1-CD2 3.76Å; V88-L263 HydrophobicContact CG2-CD2 4.26Å
89	A	90.6	Very high	84.7	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-57.3	-49.6	175.2	0	0	0	0	0	112.3	I77 K85 I92 I93 L103 I178	I77-A89 HydrophobicContact CD1-CB 3.85Å; K85-A89 PolarHBondContact O-N 3.46Å; A89-I92 PolarHBondContact O-N 2.78Å; A89-I93 WeakPolarHBondContact O-CD1 3.35Å; A89-I93 VanDerWaalsContact O-CG1 3.28Å; A89-I93 WeakPolarHBondContact O-CG1 3.37Å; A89-I93 PolarHBondContact O-N 3.42Å; A89-L103 HydrophobicContact CB-CD1 3.9Å; A89-L103 HydrophobicContact CB-CD2 4.41Å; A89-I178 HydrophobicContact CB-CG2 4.1Å
90	R	87.9	Confident	83.5	Confident	148 Å²	148	39.8 Å²	39.8	56%	0.558	21%	0.213	S	C	*	.	H	α-helix	trans	-60.8	-49	178.1	-76.3	174.3	-170.1	177.7	3.9	112.5	T86 S87 I92 I93 E94	T86-R90 WeakPolarHBondContact O-CB 2.98Å; T86-R90 VanDerWaalsContact O-CG 3.26Å; T86-R90 WeakPolarHBondContact O-CG 3.29Å; T86-R90 PolarHBondContact O-N 2.8Å; S87-R90 PolarHBondContact O-N 3.38Å; R90-I92 VanDerWaalsContact C-N 3.28Å; R90-I92 PolarHBondContact O-N 3.3Å; R90-I93 PolarHBondContact O-N 2.98Å; R90-I93 VanDerWaalsContact O-N 3.13Å; R90-E94 WeakPolarHBondContact O-CB 3.35Å; R90-E94 VanDerWaalsContact O-CG 3.29Å; R90-E94 WeakPolarHBondContact O-CG 3.43Å; R90-E94 PolarHBondContact O-N 3.05Å
91	V	87.1	Confident	82.8	Confident	43 Å²	43	40.5 Å²	40.5	26%	0.261	22%	0.217	S	C	.	.	H	α-helix	trans	-63.9	-34.6	179.4	177.5	0	0	0	0	111.5	S87 V88 S95 L263	S87-V91 WeakPolarHBondContact O-CG2 3.5Å; S87-V91 PolarHBondContact O-N 2.78Å; V88-V91 PolarHBondContact O-N 2.9Å; V91-S95 WeakPolarHBondContact O-CB 3.2Å; V91-S95 PolarHBondContact O-N 3.39Å; V91-S95 PolarHBondContact O-OG 2.95Å; V91-L263 HydrophobicContact CB-CD1 4.26Å; V91-L263 HydrophobicContact CG1-CB 4.48Å; V91-L263 HydrophobicContact CG1-CD1 3.87Å
92	I	86.9	Confident	82.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.5	-49.8	172.3	-70	164.1	0	0	0	110.4	I77 V88 A89 R90 E94 S95 L96 I178 L263 I266 V267 I270	I77-I92 HydrophobicContact CD1-CD1 4.2Å; V88-I92 HydrophobicContact CG1-CD1 3.78Å; V88-I92 WeakPolarHBondContact O-CB 3.35Å; V88-I92 WeakPolarHBondContact O-CD1 3.21Å; V88-I92 VanDerWaalsContact O-CG1 3.25Å; V88-I92 WeakPolarHBondContact O-CG1 3.41Å; V88-I92 PolarHBondContact O-N 3.49Å; A89-I92 PolarHBondContact O-N 2.78Å; R90-I92 VanDerWaalsContact C-N 3.28Å; R90-I92 PolarHBondContact O-N 3.3Å; I92-E94 PolarHBondContact O-N 3.23Å; I92-S95 PolarHBondContact O-N 2.95Å; I92-L96 HydrophobicContact CG2-CD1 3.63Å; I92-L96 HydrophobicContact CG2-CG 4.29Å; I92-L96 WeakPolarHBondContact O-CB 3.22Å; I92-L96 WeakPolarHBondContact O-CD1 3.41Å; I92-L96 WeakPolarHBondContact O-CG 3.29Å; I92-L96 PolarHBondContact O-N 2.92Å; I92-L96 VanDerWaalsContact O-N 3.07Å; I92-I178 HydrophobicContact CB-CD1 4.35Å; I92-I178 HydrophobicContact CG2-CD1 3.84Å; I92-L263 HydrophobicContact CG1-CD2 4.21Å; I92-I266 HydrophobicContact CD1-CG2 3.78Å; I92-I266 HydrophobicContact CG1-CG2 4.16Å; I92-V267 HydrophobicContact CG1-CG2 4.39Å; I92-V267 HydrophobicContact CG2-CG2 4.48Å; I92-I270 HydrophobicContact CG2-CD1 3.86Å
93	I	85	Confident	82.4	Confident	32 Å²	32	42.8 Å²	42.8	16%	0.164	23%	0.226	C	C	.	.	H	α-helix	trans	-59.3	-48.8	178.5	-64.6	161.1	0	0	0	111	A89 R90 S95 L96 V101 L103 I178	A89-I93 WeakPolarHBondContact O-CD1 3.35Å; A89-I93 VanDerWaalsContact O-CG1 3.28Å; A89-I93 WeakPolarHBondContact O-CG1 3.37Å; A89-I93 PolarHBondContact O-N 3.42Å; R90-I93 PolarHBondContact O-N 2.98Å; R90-I93 VanDerWaalsContact O-N 3.13Å; I93-S95 VanDerWaalsContact C-N 3.28Å; I93-S95 PolarHBondContact O-N 2.77Å; I93-L96 PolarHBondContact O-N 3.2Å; I93-V101 HydrophobicContact CD1-CG1 4.48Å; I93-V101 HydrophobicContact CG1-CB 4.1Å; I93-V101 HydrophobicContact CG1-CG1 3.82Å; I93-L103 HydrophobicContact CD1-CB 4.12Å; I93-L103 HydrophobicContact CD1-CD2 4.1Å; I93-I178 HydrophobicContact CD1-CD1 4.33Å; I93-I178 HydrophobicContact CG1-CD1 3.86Å
94	E	83.1	Confident	82.4	Confident	131 Å²	131	42.9 Å²	42.9	61%	0.612	23%	0.227	S	C	*	.	H	α-helix	trans	-64.1	-28.3	179.5	-70.1	165.5	-155	0	0	113.1	R90 I92	R90-E94 WeakPolarHBondContact O-CB 3.35Å; R90-E94 VanDerWaalsContact O-CG 3.29Å; R90-E94 WeakPolarHBondContact O-CG 3.43Å; R90-E94 PolarHBondContact O-N 3.05Å; I92-E94 PolarHBondContact O-N 3.23Å
95	S	83	Confident	82.5	Confident	60 Å²	60	43.8 Å²	43.8	42%	0.42	23%	0.231	S	C	.	.	H	α-helix	trans	-92.2	-10.3	-179.9	-55.9	0	0	0	0	114.2	V91 I92 I93 V267	V91-S95 WeakPolarHBondContact O-CB 3.2Å; V91-S95 PolarHBondContact O-N 3.39Å; V91-S95 PolarHBondContact O-OG 2.95Å; I92-S95 PolarHBondContact O-N 2.95Å; I93-S95 VanDerWaalsContact C-N 3.28Å; I93-S95 PolarHBondContact O-N 2.77Å; S95-V267 WeakPolarHBondContact O-CG1 3.33Å
96	L	77.3	Confident	82.5	Confident	8 Å²	8	43.1 Å²	43.1	4%	0.042	23%	0.228	C	C	.	.	H	α-helix	trans	-86.6	-20.9	178.5	-78.4	167.4	0	0	0	113.2	I92 I93 V98 V101 I176 V267 I270 N271	I92-L96 HydrophobicContact CG2-CD1 3.63Å; I92-L96 HydrophobicContact CG2-CG 4.29Å; I92-L96 WeakPolarHBondContact O-CB 3.22Å; I92-L96 WeakPolarHBondContact O-CD1 3.41Å; I92-L96 WeakPolarHBondContact O-CG 3.29Å; I92-L96 PolarHBondContact O-N 2.92Å; I92-L96 VanDerWaalsContact O-N 3.07Å; I93-L96 PolarHBondContact O-N 3.2Å; L96-V98 HydrophobicContact CB-CG2 4.07Å; L96-V98 PolarHBondContact O-N 3.33Å; L96-V98 VanDerWaalsContact O-N 3.15Å; L96-V101 HydrophobicContact CD1-CG2 4.09Å; L96-I176 HydrophobicContact CD1-CD1 3.9Å; L96-V267 HydrophobicContact CD2-CG1 4.15Å; L96-V267 HydrophobicContact CG-CG1 4.48Å; L96-I270 HydrophobicContact CD1-CD1 4.41Å; L96-I270 HydrophobicContact CD1-CG2 4.1Å; L96-I270 HydrophobicContact CD2-CB 3.86Å; L96-I270 HydrophobicContact CD2-CG2 3.48Å; L96-I270 VanDerWaalsContact CD2-CG2 3.48Å; L96-I270 HydrophobicContact CG-CG2 4.46Å; L96-N271 WeakPolarHBondContact CD2-OD1 3.42Å
97	D	67.7	Low	82.5	Confident	82 Å²	82	42.4 Å²	42.4	44%	0.439	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	31.1	-179.6	-155.2	32.9	0	0	0	114.5	P45 V46	P45-D97 WeakPolarHBondContact CG-OD2 3.08Å; V46-D97 WeakPolarHBondContact CG2-OD1 3.1Å
98	V	63.5	Low	82.5	Confident	51 Å²	51	40.8 Å²	40.8	31%	0.309	21%	0.211	S	C	.	.			trans	-120.4	130.3	172.1	-66.4	0	0	0	0	110.4	L96 W100 V101 L274	L96-V98 HydrophobicContact CB-CG2 4.07Å; L96-V98 PolarHBondContact O-N 3.33Å; L96-V98 VanDerWaalsContact O-N 3.15Å; V98-W100 PolarHBondContact O-N 3.02Å; V98-W100 VanDerWaalsContact O-N 3.16Å; V98-V101 HydrophobicContact CG2-CG2 3.87Å; V98-L274 HydrophobicContact CG1-CD1 4.44Å; V98-L274 HydrophobicContact CG2-CD1 4.3Å
99	Q	57.2	Low	82.5	Confident	57 Å²	57	40.8 Å²	40.8	27%	0.266	21%	0.211	S	C	.	.	S	Bend	trans	-57	-29.8	179.1	-89	-169.5	15.8	0	0	113.8	F55 H57 V101	F55-Q99 HydrophobicContact CB-CG 3.23Å; F55-Q99 VanDerWaalsContact CB-NE2 3.31Å; F55-Q99 HydrophobicContact CD1-CG 4.19Å; F55-Q99 HydrophobicContact CD2-CG 4.34Å; F55-Q99 HydrophobicContact CG-CG 3.72Å; F55-Q99 PolarHBondContact O-NE2 3.13Å; H57-Q99 WeakPolarHBondContact O-CG 3.27Å; H57-Q99 PolarHBondContact O-NE2 3.41Å; H57-Q99 PolarHBondContact O-OE1 3.26Å; Q99-V101 PolarHBondContact O-N 3.08Å
100	W	67.9	Low	82.4	Confident	48 Å²	48	41.7 Å²	41.7	18%	0.182	22%	0.215	C	C	.	.			trans	-107.4	65	-160.3	-59.1	87.3	0	0	0	112	G58 R59 V98 L461	G58-W100 VanDerWaalsContact C-NE1 3.31Å; R59-W100 VanDerWaalsContact CA-NE1 3.34Å; R59-W100 HydrophobicContact CB-CD2 3.62Å; R59-W100 HydrophobicContact CB-CE3 4.3Å; R59-W100 HydrophobicContact CB-CG 3.7Å; R59-W100 HydrophobicContact CB-CZ2 4.12Å; R59-W100 HydrophobicContact CG-CB 3.98Å; R59-W100 HydrophobicContact CG-CD2 3.7Å; R59-W100 HydrophobicContact CG-CE3 4.18Å; R59-W100 HydrophobicContact CG-CG 3.52Å; V98-W100 PolarHBondContact O-N 3.02Å; V98-W100 VanDerWaalsContact O-N 3.16Å; W100-L461 HydrophobicContact CH2-CD2 4.05Å; W100-L461 HydrophobicContact CZ2-CD2 4.46Å; W100-L461 WeakPolarHBondContact CZ2-O 3.22Å; W100-L461 HydrophobicContact CZ3-CD2 4.48Å
101	V	78.2	Confident	82.4	Confident	16 Å²	16	38.3 Å²	38.3	10%	0.097	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	107.8	166.3	-173.2	0	0	0	0	108.7	I93 L96 V98 Q99 L103 I176 I178	I93-V101 HydrophobicContact CD1-CG1 4.48Å; I93-V101 HydrophobicContact CG1-CB 4.1Å; I93-V101 HydrophobicContact CG1-CG1 3.82Å; L96-V101 HydrophobicContact CD1-CG2 4.09Å; V98-V101 HydrophobicContact CG2-CG2 3.87Å; Q99-V101 PolarHBondContact O-N 3.08Å; V101-L103 PolarHBondContact O-N 3.2Å; V101-I176 WeakPolarHBondContact CA-O 3.42Å; V101-I176 HydrophobicContact CG1-CB 4.13Å; V101-I176 HydrophobicContact CG1-CG2 3.91Å; V101-I176 HydrophobicContact CG2-CB 4.34Å; V101-I176 HydrophobicContact CG2-CD1 4.2Å; V101-I178 HydrophobicContact CG1-CD1 3.6Å; V101-I178 HydrophobicContact CG1-CG1 3.71Å
102	S	83.5	Confident	82.3	Confident	17 Å²	17	40.2 Å²	40.2	12%	0.119	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	111.9	179	-78.2	0	0	0	0	110.4	V171 Y172 A174 I176 I177 I178	S102-V171 WeakPolarHBondContact OG-CG1 3.49Å; S102-Y172 PolarHBondContact OG-O 3.07Å; S102-A174 VanDerWaalsContact OG-CB 3.28Å; S102-A174 WeakPolarHBondContact OG-CB 3.37Å; S102-I176 PolarHBondContact N-O 2.91Å; S102-I177 CarbonylContact O-C 3.57Å; S102-I177 WeakPolarHBondContact O-CA 3.36Å; S102-I178 PolarHBondContact O-N 2.83Å
103	L	88.9	Confident	82.2	Confident	64 Å²	64	40.6 Å²	40.6	34%	0.335	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	114.4	175.1	-179.7	59.9	0	0	0	111.3	A89 I93 V101 I178 E180	A89-L103 HydrophobicContact CB-CD1 3.9Å; A89-L103 HydrophobicContact CB-CD2 4.41Å; I93-L103 HydrophobicContact CD1-CB 4.12Å; I93-L103 HydrophobicContact CD1-CD2 4.1Å; V101-L103 PolarHBondContact O-N 3.2Å; L103-I178 CarbonylContact C-O 3.59Å; L103-I178 WeakPolarHBondContact CA-O 3.31Å; L103-I178 HydrophobicContact CD1-CB 3.93Å; L103-I178 HydrophobicContact CD1-CG2 3.64Å; L103-E180 HydrophobicContact CD1-CG 4.07Å
104	L	91.5	Very high	82.3	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	125.1	168.7	-58.8	-175.9	0	0	0	109.8	L146 I152 V154 V171 I177 I178 I179 E180	L104-L146 HydrophobicContact CD1-CD1 3.83Å; L104-L146 HydrophobicContact CG-CD1 4.5Å; L104-I152 HydrophobicContact CD1-CD1 4.33Å; L104-I152 HydrophobicContact CD2-CD1 4.09Å; L104-V154 HydrophobicContact CD2-CG2 3.82Å; L104-V171 HydrophobicContact CD2-CG1 4.23Å; L104-V171 HydrophobicContact CD2-CG2 4.21Å; L104-I177 HydrophobicContact CD1-CG2 4.37Å; L104-I178 PolarHBondContact N-O 3.09Å; L104-I179 HydrophobicContact CB-CB 4.43Å; L104-I179 HydrophobicContact CB-CG1 4.45Å; L104-I179 CarbonylContact O-C 3.56Å; L104-I179 WeakPolarHBondContact O-CA 3.48Å; L104-E180 PolarHBondContact O-N 3.34Å
105	S	92.2	Very high	82.4	Confident	31 Å²	31	39.9 Å²	39.9	22%	0.217	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	133.4	166.8	-171.8	0	0	0	0	110.1	D107 S108 Y109 E180	S105-D107 PolarHBondContact O-N 3.06Å; S105-D107 PolarHBondContact OG-N 3.32Å; S105-S108 PolarHBondContact O-N 2.88Å; S105-S108 VanDerWaalsContact O-N 3.13Å; S105-Y109 WeakPolarHBondContact O-CD2 3.47Å; S105-E180 WeakPolarHBondContact CA-O 3.18Å; S105-E180 WeakPolarHBondContact CB-OE1 3.16Å; S105-E180 PolarHBondContact OG-OE1 3.07Å
106	L	92.5	Very high	82.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-59.2	-25.6	172.7	-175.4	65.7	0	0	0	112	S108 Y109 F134 L136 L139 E180 I182 L183 V184	L106-S108 PolarHBondContact O-N 3.44Å; L106-Y109 WeakPolarHBondContact O-CB 3.11Å; L106-Y109 PolarHBondContact O-N 3.27Å; L106-F134 HydrophobicContact CD1-CD1 3.86Å; L106-F134 HydrophobicContact CD1-CE1 4.4Å; L106-F134 HydrophobicContact CD1-CG 4.37Å; L106-F134 HydrophobicContact CD2-CD1 4.11Å; L106-F134 HydrophobicContact CD2-CE1 3.96Å; L106-F134 HydrophobicContact CD2-CZ 4.26Å; L106-F134 HydrophobicContact CG-CD1 3.61Å; L106-F134 HydrophobicContact CG-CE1 3.63Å; L106-F134 HydrophobicContact CG-CG 4.37Å; L106-F134 HydrophobicContact CG-CZ 4.42Å; L106-L136 HydrophobicContact CD1-CD2 4.27Å; L106-L139 HydrophobicContact CD1-CD2 3.53Å; L106-E180 WeakPolarHBondContact CB-O 3.2Å; L106-E180 PolarHBondContact N-O 2.97Å; L106-I182 HydrophobicContact CD2-CG1 4.37Å; L106-L183 HydrophobicContact CD2-CB 4.01Å; L106-V184 HydrophobicContact CB-CG2 4.2Å; L106-V184 HydrophobicContact CD2-CG2 4.21Å
107	D	88.6	Confident	83	Confident	38 Å²	38	44.9 Å²	44.9	20%	0.203	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-65.2	-16.6	176.8	-85.1	-2.1	0	0	0	113	S105 Y109 Y110 F159	S105-D107 PolarHBondContact O-N 3.06Å; S105-D107 PolarHBondContact OG-N 3.32Å; D107-Y109 VanDerWaalsContact C-N 3.27Å; D107-Y110 HydrophobicContact CB-CE2 3.88Å; D107-Y110 WeakPolarHBondContact O-CD2 3.44Å; D107-Y110 VanDerWaalsContact OD1-CE2 3.28Å; D107-Y110 WeakPolarHBondContact OD1-CE2 3.36Å; D107-Y110 PolarHBondContact OD1-OH 2.99Å; D107-F159 HydrophobicContact CB-CE1 4.14Å; D107-F159 HydrophobicContact CB-CZ 3.9Å
108	S	87.8	Confident	83.7	Confident	28 Å²	28	45.1 Å²	45.1	20%	0.196	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-71.1	-22.7	167.5	-80.8	0	0	0	0	113	S105 L106 P155	S105-S108 PolarHBondContact O-N 2.88Å; S105-S108 VanDerWaalsContact O-N 3.13Å; L106-S108 PolarHBondContact O-N 3.44Å; S108-P155 WeakPolarHBondContact CB-O 3.34Å; S108-P155 PolarHBondContact OG-O 3.3Å
109	Y	91.8	Very high	84.6	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-98	14.5	-168.6	-65.6	-99	0	0	0	113.4	S105 L106 D107 K111 D135 L138 L139 H142 V154 R164	S105-Y109 WeakPolarHBondContact O-CD2 3.47Å; L106-Y109 WeakPolarHBondContact O-CB 3.11Å; L106-Y109 PolarHBondContact O-N 3.27Å; D107-Y109 VanDerWaalsContact C-N 3.27Å; Y109-K111 PolarHBondContact O-N 2.97Å; Y109-D135 WeakPolarHBondContact O-CB 3.3Å; Y109-D135 PolarHBondContact O-N 3.24Å; Y109-L138 HydrophobicContact CD1-CB 4.45Å; Y109-L138 HydrophobicContact CD1-CD2 4.21Å; Y109-L138 HydrophobicContact CD1-CG 4.26Å; Y109-L138 HydrophobicContact CE1-CD2 4.34Å; Y109-L138 HydrophobicContact CE1-CG 4.15Å; Y109-L139 HydrophobicContact CD1-CB 3.79Å; Y109-L139 HydrophobicContact CD1-CD1 3.99Å; Y109-L139 HydrophobicContact CD2-CD1 3.81Å; Y109-L139 HydrophobicContact CE1-CB 4.04Å; Y109-L139 HydrophobicContact CE1-CD1 3.83Å; Y109-L139 HydrophobicContact CE2-CD1 3.65Å; Y109-L139 HydrophobicContact CG-CB 4.28Å; Y109-L139 HydrophobicContact CG-CD1 3.98Å; Y109-H142 HydrophobicContact CE1-CB 4.45Å; Y109-H142 AromaticContact CE1-ND1 3.51Å; Y109-H142 AromaticContact CZ-ND1 3.67Å; Y109-H142 PolarHBondContact OH-ND1 2.91Å; Y109-V154 HydrophobicContact CE2-CG1 4.15Å; Y109-R164 PolarHBondContact O-NH2 3.25Å
110	Y	89.6	Confident	85.9	Confident	20 Å²	20	50.5 Å²	50.5	8%	0.078	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-56.5	140.1	166.2	-70.5	-69.4	0	0	0	110.6	D107 F128 A133 F134 Y157 F159 R164	D107-Y110 HydrophobicContact CB-CE2 3.88Å; D107-Y110 WeakPolarHBondContact O-CD2 3.44Å; D107-Y110 VanDerWaalsContact OD1-CE2 3.28Å; D107-Y110 WeakPolarHBondContact OD1-CE2 3.36Å; D107-Y110 PolarHBondContact OD1-OH 2.99Å; Y110-F128 HydrophobicContact CD1-CD1 4.1Å; Y110-F128 HydrophobicContact CE1-CB 4.09Å; Y110-F128 HydrophobicContact CE1-CD1 4.13Å; Y110-A133 WeakPolarHBondContact CA-O 3.25Å; Y110-A133 HydrophobicContact CD1-CB 4.37Å; Y110-F134 HydrophobicContact CD1-CD1 4.15Å; Y110-F134 AromaticContact CD1-CE1 3.74Å; Y110-F134 HydrophobicContact CD1-CE1 3.74Å; Y110-F134 HydrophobicContact CD1-CZ 4.03Å; Y110-F134 HydrophobicContact CE1-CD1 4.14Å; Y110-F134 AromaticContact CE1-CE1 3.3Å; Y110-F134 HydrophobicContact CE1-CE1 3.3Å; Y110-F134 HydrophobicContact CE1-CE2 4.02Å; Y110-F134 AromaticContact CE1-CZ 3.23Å; Y110-F134 HydrophobicContact CE1-CZ 3.23Å; Y110-F134 HydrophobicContact CE2-CE1 4.19Å; Y110-F134 HydrophobicContact CG-CE1 4.34Å; Y110-F134 AromaticContact CZ-CE1 3.51Å; Y110-F134 AromaticContact CZ-CZ 3.57Å; Y110-F134 WeakPolarHBondContact OH-CZ 3.13Å; Y110-Y157 AromaticContact CD2-CD1 3.64Å; Y110-Y157 HydrophobicContact CD2-CD1 3.64Å; Y110-Y157 AromaticContact CD2-CE1 3.38Å; Y110-Y157 HydrophobicContact CD2-CE1 3.38Å; Y110-Y157 HydrophobicContact CD2-CE2 4.49Å; Y110-Y157 HydrophobicContact CD2-CG 4.28Å; Y110-Y157 AromaticContact CD2-CZ 3.85Å; Y110-Y157 HydrophobicContact CE2-CD1 4.47Å; Y110-Y157 HydrophobicContact CE2-CE1 4.18Å; Y110-Y157 HydrophobicContact CG-CD1 4.43Å; Y110-Y157 AromaticContact CG-CE1 3.94Å; Y110-Y157 HydrophobicContact CG-CE1 3.94Å; Y110-Y157 HydrophobicContact CG-CE2 4.38Å; Y110-Y157 AromaticContact CG-CZ 3.91Å; Y110-F159 HydrophobicContact CE2-CE1 4.26Å; Y110-R164 VanDerWaalsContact O-CZ 3.27Å; Y110-R164 PolarHBondContact O-NE 3.12Å; Y110-R164 PolarHBondContact O-NH2 3.3Å
111	K	88	Confident	86.4	Confident	76 Å²	76	48.3 Å²	48.3	33%	0.33	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-70.9	155	173.8	-75.6	173.7	169.1	132.4	0	110.8	Y109 L113 S132 A133 F134 D135	Y109-K111 PolarHBondContact O-N 2.97Å; K111-L113 PolarHBondContact O-N 2.83Å; K111-S132 PolarHBondContact NZ-O 3.34Å; K111-A133 PolarHBondContact N-O 3.49Å; K111-F134 VanDerWaalsContact CE-O 3.31Å; K111-F134 WeakPolarHBondContact CE-O 3.18Å; K111-F134 PolarHBondContact NZ-O 3.12Å; K111-D135 HydrophobicContact CG-CB 3.95Å
112	V	84.3	Confident	86.4	Confident	84 Å²	84	53.3 Å²	53.3	51%	0.509	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-72.6	120.4	170.8	-178.4	0	0	0	0	108.3	R164	V112-R164 HydrophobicContact CG2-CB 4.13Å; V112-R164 HydrophobicContact CG2-CG 4.01Å
113	L	85	Confident	86.2	Confident	8 Å²	8	55.1 Å²	55.1	4%	0.042	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-69.9	139.5	-178.1	-59.4	-172.4	0	0	0	112	K111 Q117 K118 A121 Y126 F128 H162	K111-L113 PolarHBondContact O-N 2.83Å; L113-Q117 HydrophobicContact CB-CB 3.89Å; L113-Q117 HydrophobicContact CD2-CB 4.24Å; L113-Q117 HydrophobicContact CG-CB 4.46Å; L113-K118 HydrophobicContact CB-CG 3.68Å; L113-K118 HydrophobicContact CD1-CG 4.42Å; L113-K118 VanDerWaalsContact O-CE 3.32Å; L113-K118 WeakPolarHBondContact O-CE 3.42Å; L113-A121 HydrophobicContact CD1-CB 3.73Å; L113-Y126 HydrophobicContact CD2-CD1 4.3Å; L113-Y126 HydrophobicContact CD2-CE1 3.68Å; L113-Y126 HydrophobicContact CD2-CE2 3.91Å; L113-Y126 VanDerWaalsContact CD2-CZ 3.44Å; L113-F128 HydrophobicContact CD1-CE1 4.11Å; L113-F128 HydrophobicContact CD1-CZ 4.01Å; L113-H162 HydrophobicContact CD1-CB 3.82Å
114	T	86.4	Confident	85.6	Confident	56 Å²	56	53.6 Å²	53.6	34%	0.344	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-65.7	164.3	168.3	77	0	0	0	0	111	E116 Q117 K118	T114-E116 WeakPolarHBondContact CB-OE2 3.46Å; T114-E116 PolarHBondContact O-N 3.31Å; T114-E116 PolarHBondContact OG1-OE2 3.06Å; T114-Q117 CarbonylContact O-C 3.58Å; T114-Q117 PolarHBondContact O-N 2.94Å; T114-Q117 VanDerWaalsContact O-N 3.13Å; T114-Q117 WeakPolarHBondContact OG1-CG 3.43Å; T114-Q117 PolarHBondContact OG1-N 2.31Å; T114-K118 WeakPolarHBondContact O-CG 3.27Å; T114-K118 PolarHBondContact O-N 3.49Å
115	P	85.4	Confident	85.2	Confident	91 Å²	91	58 Å²	58	59%	0.591	32%	0.318	S	S	*	.	H	α-helix	trans	-54.5	-39.8	178.2	-25.7	35.9	0	0	0	113.3	K118 L119	P115-K118 PolarHBondContact O-N 3.32Å; P115-L119 WeakPolarHBondContact O-CG 3.49Å; P115-L119 PolarHBondContact O-N 3.29Å
116	E	86.2	Confident	84.8	Confident	114 Å²	114	57.6 Å²	57.6	53%	0.533	31%	0.311	S	S	.	.	H	α-helix	trans	-69.1	-41.6	179	-47.2	68.5	-142	0	0	110.6	T114 K118 L119 Q120	T114-E116 WeakPolarHBondContact CB-OE2 3.46Å; T114-E116 PolarHBondContact O-N 3.31Å; T114-E116 PolarHBondContact OG1-OE2 3.06Å; E116-K118 VanDerWaalsContact C-N 3.32Å; E116-K118 PolarHBondContact O-N 2.92Å; E116-L119 PolarHBondContact O-N 2.97Å; E116-Q120 WeakPolarHBondContact O-CG 3.14Å; E116-Q120 PolarHBondContact O-N 3.38Å
117	Q	87	Confident	84.6	Confident	60 Å²	60	59 Å²	59	28%	0.28	32%	0.319	S	S	.	.	H	α-helix	trans	-67.8	-31.3	175.1	-68.5	173.8	-4.6	0	0	112.3	L113 T114 Q120 A121 Y126	L113-Q117 HydrophobicContact CB-CB 3.89Å; L113-Q117 HydrophobicContact CD2-CB 4.24Å; L113-Q117 HydrophobicContact CG-CB 4.46Å; T114-Q117 CarbonylContact O-C 3.58Å; T114-Q117 PolarHBondContact O-N 2.94Å; T114-Q117 VanDerWaalsContact O-N 3.13Å; T114-Q117 WeakPolarHBondContact OG1-CG 3.43Å; T114-Q117 PolarHBondContact OG1-N 2.31Å; Q117-Q120 PolarHBondContact O-N 3.03Å; Q117-A121 WeakPolarHBondContact O-CB 3.41Å; Q117-A121 PolarHBondContact O-N 3.2Å; Q117-Y126 HydrophobicContact CB-CD2 4.01Å; Q117-Y126 HydrophobicContact CB-CE2 3.91Å; Q117-Y126 HydrophobicContact CG-CD2 4.14Å; Q117-Y126 HydrophobicContact CG-CE2 3.77Å
118	K	82.4	Confident	84.5	Confident	87 Å²	87	58.1 Å²	58.1	38%	0.378	31%	0.313	S	S	.	.	H	α-helix	trans	-66.7	-43.7	171.7	-72.7	-179.8	178.8	179.8	0	111.4	L113 T114 P115 E116 Q120 A121 V122	L113-K118 HydrophobicContact CB-CG 3.68Å; L113-K118 HydrophobicContact CD1-CG 4.42Å; L113-K118 VanDerWaalsContact O-CE 3.32Å; L113-K118 WeakPolarHBondContact O-CE 3.42Å; T114-K118 WeakPolarHBondContact O-CG 3.27Å; T114-K118 PolarHBondContact O-N 3.49Å; P115-K118 PolarHBondContact O-N 3.32Å; E116-K118 VanDerWaalsContact C-N 3.32Å; E116-K118 PolarHBondContact O-N 2.92Å; K118-Q120 VanDerWaalsContact C-N 3.32Å; K118-Q120 PolarHBondContact O-N 3.27Å; K118-A121 PolarHBondContact O-N 2.96Å; K118-A121 VanDerWaalsContact O-N 3.15Å; K118-V122 WeakPolarHBondContact O-CG2 3.45Å; K118-V122 PolarHBondContact O-N 3.41Å
119	L	83.1	Confident	84.6	Confident	129 Å²	129	57 Å²	57	68%	0.675	31%	0.305	S	S	*	.	H	α-helix	trans	-59.8	-43.4	172.4	-68.1	171.6	0	0	0	111.2	P115 E116 A121 V122 A123	P115-L119 WeakPolarHBondContact O-CG 3.49Å; P115-L119 PolarHBondContact O-N 3.29Å; E116-L119 PolarHBondContact O-N 2.97Å; L119-A121 PolarHBondContact O-N 3.01Å; L119-V122 PolarHBondContact O-N 3.1Å; L119-A123 VanDerWaalsContact O-CB 3.3Å; L119-A123 WeakPolarHBondContact O-CB 3.27Å; L119-A123 PolarHBondContact O-N 3.37Å
120	Q	83	Confident	84.5	Confident	92 Å²	92	60.2 Å²	60.2	43%	0.43	32%	0.32	S	S	.	.	H	α-helix	trans	-62.5	-38.2	172.9	-70.6	174.4	-2.4	0	0	112.8	E116 Q117 K118 A123 C124 H125 Y126	E116-Q120 WeakPolarHBondContact O-CG 3.14Å; E116-Q120 PolarHBondContact O-N 3.38Å; Q117-Q120 PolarHBondContact O-N 3.03Å; K118-Q120 VanDerWaalsContact C-N 3.32Å; K118-Q120 PolarHBondContact O-N 3.27Å; Q120-A123 CarbonylContact O-C 3.53Å; Q120-A123 PolarHBondContact O-N 3.41Å; Q120-C124 PolarHBondContact O-N 3.1Å; Q120-H125 HydrophobicContact CB-CB 4.4Å; Q120-H125 WeakPolarHBondContact O-CA 2.91Å; Q120-H125 PolarHBondContact O-N 3.01Å; Q120-Y126 PolarHBondContact O-N 3.44Å
121	A	79.6	Confident	84.6	Confident	2 Å²	2	59.6 Å²	59.6	2%	0.017	32%	0.319	C	S	.	.	H	α-helix	trans	-67.7	-43.9	178.5	0	0	0	0	0	112.1	L113 Q117 K118 L119 A123 C124 F128	L113-A121 HydrophobicContact CD1-CB 3.73Å; Q117-A121 WeakPolarHBondContact O-CB 3.41Å; Q117-A121 PolarHBondContact O-N 3.2Å; K118-A121 PolarHBondContact O-N 2.96Å; K118-A121 VanDerWaalsContact O-N 3.15Å; L119-A121 PolarHBondContact O-N 3.01Å; A121-A123 VanDerWaalsContact C-N 3.34Å; A121-C124 PolarHBondContact O-N 2.97Å; A121-F128 HydrophobicContact CB-CE2 4.06Å; A121-F128 HydrophobicContact CB-CZ 3.79Å
122	V	77.1	Confident	84.7	Confident	120 Å²	120	59.3 Å²	59.3	73%	0.727	33%	0.326	S	S	*	.	H	α-helix	trans	-61.4	-43	173.2	174.6	0	0	0	0	110.7	K118 L119 C124	K118-V122 WeakPolarHBondContact O-CG2 3.45Å; K118-V122 PolarHBondContact O-N 3.41Å; L119-V122 PolarHBondContact O-N 3.1Å; V122-C124 PolarHBondContact O-N 2.95Å; V122-C124 VanDerWaalsContact O-N 3.1Å
123	A	79.9	Confident	85	Confident	56 Å²	56	55.4 Å²	55.4	46%	0.463	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	5.2	174.2	0	0	0	0	0	114.3	L119 Q120 A121 H125	L119-A123 VanDerWaalsContact O-CB 3.3Å; L119-A123 WeakPolarHBondContact O-CB 3.27Å; L119-A123 PolarHBondContact O-N 3.37Å; Q120-A123 CarbonylContact O-C 3.53Å; Q120-A123 PolarHBondContact O-N 3.41Å; A121-A123 VanDerWaalsContact C-N 3.34Å; A123-H125 HydrophobicContact CB-CB 4.5Å; A123-H125 PolarHBondContact O-CE1 3.04Å; A123-H125 PolarHBondContact O-N 2.87Å; A123-H125 PolarHBondContact O-ND1 2.87Å
124	C	75.6	Confident	85.3	Confident	32 Å²	32	55 Å²	55	22%	0.216	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	31.2	-176.4	-62.3	0	0	0	0	114.1	Q120 A121 V122 S225 F233	Q120-C124 PolarHBondContact O-N 3.1Å; A121-C124 PolarHBondContact O-N 2.97Å; V122-C124 PolarHBondContact O-N 2.95Å; V122-C124 VanDerWaalsContact O-N 3.1Å; C124-S225 PolarHBondContact SG-OG 2.83Å; C124-S225 VanDerWaalsContact SG-OG 3.33Å; C124-F233 WeakPolarHBondContact O-CE2 3.49Å
125	H	83.3	Confident	85.6	Confident	95 Å²	95	53.8 Å²	53.8	44%	0.44	29%	0.292	S	S	.	.			trans	-110.8	-3.1	-178.2	-77.6	36.2	0	0	0	113.7	Q120 A123 R232 F233	Q120-H125 HydrophobicContact CB-CB 4.4Å; Q120-H125 WeakPolarHBondContact O-CA 2.91Å; Q120-H125 PolarHBondContact O-N 3.01Å; A123-H125 HydrophobicContact CB-CB 4.5Å; A123-H125 PolarHBondContact O-CE1 3.04Å; A123-H125 PolarHBondContact O-N 2.87Å; A123-H125 PolarHBondContact O-ND1 2.87Å; H125-R232 PolarHBondContact CD2-NH1 3.43Å; H125-R232 PolarHBondContact CD2-NH2 3.39Å; H125-R232 PolarHBondContact CE1-NH1 3.35Å; H125-R232 PolarHBondContact ND1-NH1 2.98Å; H125-R232 PolarHBondContact NE2-NH1 3.49Å; H125-F233 WeakPolarHBondContact O-CZ 3.35Å
126	Y	83.5	Confident	85.9	Confident	21 Å²	21	50.7 Å²	50.7	8%	0.082	27%	0.27	C	S	.	.	S	Bend	trans	-90.9	130.7	173.7	-170.3	-92.2	0	0	0	111.9	L113 Q117 Q120 F128 A133	L113-Y126 HydrophobicContact CD2-CD1 4.3Å; L113-Y126 HydrophobicContact CD2-CE1 3.68Å; L113-Y126 HydrophobicContact CD2-CE2 3.91Å; L113-Y126 VanDerWaalsContact CD2-CZ 3.44Å; Q117-Y126 HydrophobicContact CB-CD2 4.01Å; Q117-Y126 HydrophobicContact CB-CE2 3.91Å; Q117-Y126 HydrophobicContact CG-CD2 4.14Å; Q117-Y126 HydrophobicContact CG-CE2 3.77Å; Q120-Y126 PolarHBondContact O-N 3.44Å; Y126-F128 AromaticContact CD1-CD1 3.89Å; Y126-F128 HydrophobicContact CD1-CD1 3.89Å; Y126-F128 AromaticContact CD1-CD2 3.88Å; Y126-F128 HydrophobicContact CD1-CD2 3.88Å; Y126-F128 AromaticContact CD1-CE1 3.83Å; Y126-F128 HydrophobicContact CD1-CE1 3.83Å; Y126-F128 AromaticContact CD1-CE2 3.84Å; Y126-F128 HydrophobicContact CD1-CE2 3.84Å; Y126-F128 AromaticContact CD1-CG 3.92Å; Y126-F128 HydrophobicContact CD1-CG 3.92Å; Y126-F128 AromaticContact CD1-CZ 3.82Å; Y126-F128 HydrophobicContact CD1-CZ 3.82Å; Y126-F128 AromaticContact CE1-CD1 3.96Å; Y126-F128 HydrophobicContact CE1-CD1 3.96Å; Y126-F128 HydrophobicContact CE1-CE1 4.05Å; Y126-F128 HydrophobicContact CE1-CG 4.3Å; Y126-F128 HydrophobicContact CE1-CZ 4.48Å; Y126-F128 PolarHBondContact O-N 3.48Å; Y126-A133 HydrophobicContact CE1-CB 3.98Å
127	N	88.9	Confident	86.2	Confident	31 Å²	31	50.9 Å²	50.9	17%	0.166	28%	0.275	C	S	.	.			trans	-89.4	91.4	179.4	-169.1	-3.5	0	0	0	112	D129 H130 F233 S237	N127-D129 VanDerWaalsContact C-N 3.27Å; N127-D129 PolarHBondContact O-N 2.76Å; N127-D129 WeakPolarHBondContact OD1-CA 3.13Å; N127-D129 PolarHBondContact OD1-N 3Å; N127-H130 HydrophobicContact CB-CB 4.07Å; N127-H130 WeakPolarHBondContact O-CB 3.24Å; N127-H130 PolarHBondContact O-N 2.81Å; N127-H130 PolarHBondContact OD1-N 3.4Å; N127-F233 HydrophobicContact CB-CB 4.37Å; N127-F233 HydrophobicContact CB-CD1 3.55Å; N127-F233 HydrophobicContact CB-CE1 3.9Å; N127-F233 HydrophobicContact CB-CG 3.95Å; N127-S237 PolarHBondContact ND2-OG 2.82Å; N127-S237 PolarHBondContact OD1-OG 3.4Å
128	F	86.2	Confident	86.5	Confident	18 Å²	18	50 Å²	50	8%	0.079	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-23.3	172.5	-67	-82.9	0	0	0	113.8	Y110 L113 A121 Y126 H130 F134 H162	Y110-F128 HydrophobicContact CD1-CD1 4.1Å; Y110-F128 HydrophobicContact CE1-CB 4.09Å; Y110-F128 HydrophobicContact CE1-CD1 4.13Å; L113-F128 HydrophobicContact CD1-CE1 4.11Å; L113-F128 HydrophobicContact CD1-CZ 4.01Å; A121-F128 HydrophobicContact CB-CE2 4.06Å; A121-F128 HydrophobicContact CB-CZ 3.79Å; Y126-F128 AromaticContact CD1-CD1 3.89Å; Y126-F128 HydrophobicContact CD1-CD1 3.89Å; Y126-F128 AromaticContact CD1-CD2 3.88Å; Y126-F128 HydrophobicContact CD1-CD2 3.88Å; Y126-F128 AromaticContact CD1-CE1 3.83Å; Y126-F128 HydrophobicContact CD1-CE1 3.83Å; Y126-F128 AromaticContact CD1-CE2 3.84Å; Y126-F128 HydrophobicContact CD1-CE2 3.84Å; Y126-F128 AromaticContact CD1-CG 3.92Å; Y126-F128 HydrophobicContact CD1-CG 3.92Å; Y126-F128 AromaticContact CD1-CZ 3.82Å; Y126-F128 HydrophobicContact CD1-CZ 3.82Å; Y126-F128 AromaticContact CE1-CD1 3.96Å; Y126-F128 HydrophobicContact CE1-CD1 3.96Å; Y126-F128 HydrophobicContact CE1-CE1 4.05Å; Y126-F128 HydrophobicContact CE1-CG 4.3Å; Y126-F128 HydrophobicContact CE1-CZ 4.48Å; Y126-F128 PolarHBondContact O-N 3.48Å; F128-H130 VanDerWaalsContact C-N 3.26Å; F128-H130 PolarHBondContact O-N 3.28Å; F128-F134 VanDerWaalsContact O-CE2 3.29Å; F128-F134 WeakPolarHBondContact O-CE2 3.35Å; F128-H162 HydrophobicContact CZ-CB 4.38Å; F128-H162 AromaticContact CZ-CD2 3.97Å; F128-H162 AromaticContact CZ-CE1 3.78Å; F128-H162 AromaticContact CZ-CG 3.76Å; F128-H162 AromaticContact CZ-ND1 3.64Å; F128-H162 AromaticContact CZ-NE2 3.96Å
129	D	89.4	Confident	87	Confident	6 Å²	6	46 Å²	46	3%	0.032	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	5	179.3	-63.6	-106	0	0	0	111.9	N127 I182 R211 S237	N127-D129 VanDerWaalsContact C-N 3.27Å; N127-D129 PolarHBondContact O-N 2.76Å; N127-D129 WeakPolarHBondContact OD1-CA 3.13Å; N127-D129 PolarHBondContact OD1-N 3Å; D129-I182 HydrophobicContact CB-CD1 4.06Å; D129-R211 IonicContact OD1-NH1 3.83Å; D129-R211 PolarHBondContact OD1-NH1 2.86Å; D129-R211 IonicContact OD2-NH1 2.84Å; D129-R211 PolarHBondContact OD2-NH1 3.11Å; D129-R211 IonicContact OD2-NH2 3.71Å; D129-S237 WeakPolarHBondContact O-CB 3.17Å
130	H	91.6	Very high	87.6	Confident	66 Å²	66	41.6 Å²	41.6	31%	0.306	23%	0.23	S	C	.	.	S	Bend	trans	-92.1	142.7	175.9	-172.5	-104.9	0	0	0	113	N127 F128 S132 A133 F241	N127-H130 HydrophobicContact CB-CB 4.07Å; N127-H130 WeakPolarHBondContact O-CB 3.24Å; N127-H130 PolarHBondContact O-N 2.81Å; N127-H130 PolarHBondContact OD1-N 3.4Å; F128-H130 VanDerWaalsContact C-N 3.26Å; F128-H130 PolarHBondContact O-N 3.28Å; H130-S132 VanDerWaalsContact C-N 3.25Å; H130-S132 WeakPolarHBondContact ND1-CB 3.48Å; H130-S132 PolarHBondContact ND1-N 3.24Å; H130-S132 PolarHBondContact ND1-OG 3.11Å; H130-S132 PolarHBondContact O-N 3.47Å; H130-S132 VanDerWaalsContact O-N 3.08Å; H130-A133 WeakPolarHBondContact O-CB 3.46Å; H130-A133 PolarHBondContact O-N 2.71Å; H130-F241 AromaticContact CD2-CE2 3.48Å; H130-F241 VanDerWaalsContact CD2-CE2 3.48Å; H130-F241 WeakPolarHBondContact CD2-CE2 3.34Å; H130-F241 AromaticContact CD2-CZ 3.45Å; H130-F241 VanDerWaalsContact CD2-CZ 3.45Å; H130-F241 WeakPolarHBondContact CD2-CZ 3.38Å; H130-F241 AromaticContact NE2-CZ 3.6Å
131	P	90.7	Very high	88.1	Confident	8 Å²	8	41.2 Å²	41.2	5%	0.052	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-53.7	-32.8	-178.8	-27.7	33.1	0	0	0	116.1	A133 F134 L183 Y186 F241	P131-A133 PolarHBondContact O-N 3.01Å; P131-F134 PolarHBondContact O-N 3.34Å; P131-L183 HydrophobicContact CB-CD1 4.29Å; P131-L183 HydrophobicContact CG-CD1 3.89Å; P131-Y186 HydrophobicContact CB-CD1 3.72Å; P131-Y186 HydrophobicContact CB-CE1 3.43Å; P131-Y186 VanDerWaalsContact CB-CE1 3.43Å; P131-Y186 HydrophobicContact CB-CE2 4.27Å; P131-Y186 HydrophobicContact CB-CG 4.27Å; P131-Y186 HydrophobicContact CG-CD1 3.95Å; P131-Y186 HydrophobicContact CG-CD2 3.83Å; P131-Y186 HydrophobicContact CG-CE1 3.72Å; P131-Y186 HydrophobicContact CG-CE2 3.59Å; P131-Y186 HydrophobicContact CG-CG 4.01Å; P131-F241 HydrophobicContact CG-CB 4.49Å; P131-F241 HydrophobicContact CG-CD1 3.86Å; P131-F241 HydrophobicContact CG-CD2 4.42Å; P131-F241 HydrophobicContact CG-CE1 4.12Å; P131-F241 HydrophobicContact CG-CG 4Å
132	S	90.3	Very high	88.8	Confident	70 Å²	70	41.8 Å²	41.8	49%	0.49	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-66.1	-20.9	-179.5	68.6	0	0	0	0	114.2	K111 H130 F134	K111-S132 PolarHBondContact NZ-O 3.34Å; H130-S132 VanDerWaalsContact C-N 3.25Å; H130-S132 WeakPolarHBondContact ND1-CB 3.48Å; H130-S132 PolarHBondContact ND1-N 3.24Å; H130-S132 PolarHBondContact ND1-OG 3.11Å; H130-S132 PolarHBondContact O-N 3.47Å; H130-S132 VanDerWaalsContact O-N 3.08Å; S132-F134 PolarHBondContact O-N 2.71Å
133	A	90.1	Very high	89.5	Confident	1 Å²	1	36 Å²	36	1%	0.008	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-71.3	-17.8	177.7	0	0	0	0	0	112.8	Y110 K111 Y126 H130 P131	Y110-A133 WeakPolarHBondContact CA-O 3.25Å; Y110-A133 HydrophobicContact CD1-CB 4.37Å; K111-A133 PolarHBondContact N-O 3.49Å; Y126-A133 HydrophobicContact CE1-CB 3.98Å; H130-A133 WeakPolarHBondContact O-CB 3.46Å; H130-A133 PolarHBondContact O-N 2.71Å; P131-A133 PolarHBondContact O-N 3.01Å
134	F	92	Very high	90.1	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-99.7	146.9	-177	-63.7	-82.6	0	0	0	112.6	L106 Y110 K111 F128 P131 S132 L136 I182 L183	L106-F134 HydrophobicContact CD1-CD1 3.86Å; L106-F134 HydrophobicContact CD1-CE1 4.4Å; L106-F134 HydrophobicContact CD1-CG 4.37Å; L106-F134 HydrophobicContact CD2-CD1 4.11Å; L106-F134 HydrophobicContact CD2-CE1 3.96Å; L106-F134 HydrophobicContact CD2-CZ 4.26Å; L106-F134 HydrophobicContact CG-CD1 3.61Å; L106-F134 HydrophobicContact CG-CE1 3.63Å; L106-F134 HydrophobicContact CG-CG 4.37Å; L106-F134 HydrophobicContact CG-CZ 4.42Å; Y110-F134 HydrophobicContact CD1-CD1 4.15Å; Y110-F134 AromaticContact CD1-CE1 3.74Å; Y110-F134 HydrophobicContact CD1-CE1 3.74Å; Y110-F134 HydrophobicContact CD1-CZ 4.03Å; Y110-F134 HydrophobicContact CE1-CD1 4.14Å; Y110-F134 AromaticContact CE1-CE1 3.3Å; Y110-F134 HydrophobicContact CE1-CE1 3.3Å; Y110-F134 HydrophobicContact CE1-CE2 4.02Å; Y110-F134 AromaticContact CE1-CZ 3.23Å; Y110-F134 HydrophobicContact CE1-CZ 3.23Å; Y110-F134 HydrophobicContact CE2-CE1 4.19Å; Y110-F134 HydrophobicContact CG-CE1 4.34Å; Y110-F134 AromaticContact CZ-CE1 3.51Å; Y110-F134 AromaticContact CZ-CZ 3.57Å; Y110-F134 WeakPolarHBondContact OH-CZ 3.13Å; K111-F134 VanDerWaalsContact CE-O 3.31Å; K111-F134 WeakPolarHBondContact CE-O 3.18Å; K111-F134 PolarHBondContact NZ-O 3.12Å; F128-F134 VanDerWaalsContact O-CE2 3.29Å; F128-F134 WeakPolarHBondContact O-CE2 3.35Å; P131-F134 PolarHBondContact O-N 3.34Å; S132-F134 PolarHBondContact O-N 2.71Å; F134-L136 VanDerWaalsContact C-N 3.33Å; F134-L136 HydrophobicContact CB-CD2 3.8Å; F134-L136 HydrophobicContact CB-CG 4.01Å; F134-L136 PolarHBondContact O-N 3.31Å; F134-I182 HydrophobicContact CE2-CD1 4.11Å; F134-I182 HydrophobicContact CE2-CG1 4.37Å; F134-I182 HydrophobicContact CZ-CD1 3.89Å; F134-I182 HydrophobicContact CZ-CG1 3.98Å; F134-L183 HydrophobicContact CD2-CD1 3.99Å; F134-L183 HydrophobicContact CE2-CD1 3.83Å
135	D	92	Very high	90.9	Very high	30 Å²	30	40.5 Å²	40.5	16%	0.16	20%	0.199	C	C	.	.			trans	-91.8	67.9	176.1	-163.8	-3.4	0	0	0	109.5	Y109 K111 D137 L138 L139 R164	Y109-D135 WeakPolarHBondContact O-CB 3.3Å; Y109-D135 PolarHBondContact O-N 3.24Å; K111-D135 HydrophobicContact CG-CB 3.95Å; D135-D137 PolarHBondContact O-N 2.92Å; D135-L138 HydrophobicContact CB-CB 4.21Å; D135-L138 PolarHBondContact O-N 3.07Å; D135-L138 WeakPolarHBondContact OD1-CB 3.45Å; D135-L138 PolarHBondContact OD1-N 3.07Å; D135-L138 WeakPolarHBondContact OD2-CB 3.47Å; D135-L138 WeakPolarHBondContact OD2-CD2 3.26Å; D135-L139 PolarHBondContact O-N 3.04Å; D135-R164 IonicContact OD2-CZ 2.82Å; D135-R164 VanDerWaalsContact OD2-CZ 3.25Å; D135-R164 IonicContact OD2-NH1 2.75Å; D135-R164 PolarHBondContact OD2-NH1 3.49Å; D135-R164 IonicContact OD2-NH2 3.22Å; D135-R164 PolarHBondContact OD2-NH2 3.05Å
136	L	91.6	Very high	91.1	Very high	26 Å²	26	36 Å²	36	14%	0.136	18%	0.178	C	C	.	.	H	α-helix	trans	-66.8	-26.3	-173.6	-60.5	177	0	0	0	112.3	L106 F134 L139 E140 Y186	L106-L136 HydrophobicContact CD1-CD2 4.27Å; F134-L136 VanDerWaalsContact C-N 3.33Å; F134-L136 HydrophobicContact CB-CD2 3.8Å; F134-L136 HydrophobicContact CB-CG 4.01Å; F134-L136 PolarHBondContact O-N 3.31Å; L136-L139 HydrophobicContact CD2-CD2 4.14Å; L136-L139 WeakPolarHBondContact O-CB 3.4Å; L136-L139 PolarHBondContact O-N 3.05Å; L136-E140 WeakPolarHBondContact O-CB 3.24Å; L136-E140 PolarHBondContact O-N 3.46Å; L136-Y186 HydrophobicContact CD1-CD1 4.02Å; L136-Y186 HydrophobicContact CD1-CE1 4.48Å
137	D	92.7	Very high	91.4	Very high	117 Å²	117	37.8 Å²	37.8	63%	0.626	19%	0.185	S	C	*	.	H	α-helix	trans	-72.1	-43.8	177.3	-47	-67.2	0	0	0	111	D135 L139 E140 N141	D135-D137 PolarHBondContact O-N 2.92Å; D137-L139 VanDerWaalsContact C-N 3.32Å; D137-L139 PolarHBondContact O-N 3.18Å; D137-E140 PolarHBondContact O-N 2.9Å; D137-N141 WeakPolarHBondContact O-CB 3.35Å; D137-N141 PolarHBondContact O-N 3.45Å
138	L	93.3	Very high	91.2	Very high	42 Å²	42	41.1 Å²	41.1	22%	0.22	20%	0.203	C	C	.	.	H	α-helix	trans	-61.6	-41.4	171	-177.2	65.6	0	0	0	111.4	Y109 D135 N141 H142 P155	Y109-L138 HydrophobicContact CD1-CB 4.45Å; Y109-L138 HydrophobicContact CD1-CD2 4.21Å; Y109-L138 HydrophobicContact CD1-CG 4.26Å; Y109-L138 HydrophobicContact CE1-CD2 4.34Å; Y109-L138 HydrophobicContact CE1-CG 4.15Å; D135-L138 HydrophobicContact CB-CB 4.21Å; D135-L138 PolarHBondContact O-N 3.07Å; D135-L138 WeakPolarHBondContact OD1-CB 3.45Å; D135-L138 PolarHBondContact OD1-N 3.07Å; D135-L138 WeakPolarHBondContact OD2-CB 3.47Å; D135-L138 WeakPolarHBondContact OD2-CD2 3.26Å; L138-N141 PolarHBondContact O-N 3.01Å; L138-H142 WeakPolarHBondContact CD1-NE2 3.27Å; L138-H142 VanDerWaalsContact O-CB 3.29Å; L138-H142 WeakPolarHBondContact O-CB 3.4Å; L138-H142 PolarHBondContact O-CD2 3.48Å; L138-H142 VanDerWaalsContact O-CG 3.28Å; L138-H142 PolarHBondContact O-N 3.32Å; L138-P155 HydrophobicContact CD2-CG 4.41Å
139	L	93.7	Very high	90.9	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-62.6	-43.8	177.3	-177.9	67.4	0	0	0	112.4	L106 Y109 D135 L136 D137 H142 L143 I179 V190	L106-L139 HydrophobicContact CD1-CD2 3.53Å; Y109-L139 HydrophobicContact CD1-CB 3.79Å; Y109-L139 HydrophobicContact CD1-CD1 3.99Å; Y109-L139 HydrophobicContact CD2-CD1 3.81Å; Y109-L139 HydrophobicContact CE1-CB 4.04Å; Y109-L139 HydrophobicContact CE1-CD1 3.83Å; Y109-L139 HydrophobicContact CE2-CD1 3.65Å; Y109-L139 HydrophobicContact CG-CB 4.28Å; Y109-L139 HydrophobicContact CG-CD1 3.98Å; D135-L139 PolarHBondContact O-N 3.04Å; L136-L139 HydrophobicContact CD2-CD2 4.14Å; L136-L139 WeakPolarHBondContact O-CB 3.4Å; L136-L139 PolarHBondContact O-N 3.05Å; D137-L139 VanDerWaalsContact C-N 3.32Å; D137-L139 PolarHBondContact O-N 3.18Å; L139-H142 PolarHBondContact O-N 3.41Å; L139-L143 WeakPolarHBondContact O-CB 3.18Å; L139-L143 PolarHBondContact O-N 3.39Å; L139-I179 HydrophobicContact CD1-CD1 3.79Å; L139-I179 HydrophobicContact CD2-CD1 4.1Å; L139-I179 HydrophobicContact CG-CD1 4.15Å; L139-V190 HydrophobicContact CD2-CG1 4.34Å; L139-V190 HydrophobicContact CD2-CG2 4.43Å; L139-V190 HydrophobicContact CG-CG1 4.45Å
140	E	94.4	Very high	90.8	Very high	37 Å²	37	43.6 Å²	43.6	17%	0.173	22%	0.215	C	C	.	.	H	α-helix	trans	-64.6	-47.4	176.1	-168.1	-171.8	144.4	0	0	111.2	L136 D137 H142 L143 R144 A189 V190 L193	L136-E140 WeakPolarHBondContact O-CB 3.24Å; L136-E140 PolarHBondContact O-N 3.46Å; D137-E140 PolarHBondContact O-N 2.9Å; E140-H142 VanDerWaalsContact C-N 3.3Å; E140-H142 PolarHBondContact O-N 3.15Å; E140-L143 PolarHBondContact O-N 2.69Å; E140-R144 WeakPolarHBondContact O-CB 3.49Å; E140-R144 VanDerWaalsContact O-CG 3.31Å; E140-R144 WeakPolarHBondContact O-CG 3.39Å; E140-R144 PolarHBondContact O-N 3.42Å; E140-R144 IonicContact OE1-CZ 2.69Å; E140-R144 IonicContact OE1-NE 3.51Å; E140-R144 PolarHBondContact OE1-NE 3.31Å; E140-R144 IonicContact OE1-NH2 2.97Å; E140-R144 PolarHBondContact OE1-NH2 2.9Å; E140-A189 HydrophobicContact CG-CB 4.47Å; E140-A189 WeakPolarHBondContact OE2-CB 3.28Å; E140-V190 HydrophobicContact CB-CG2 3.89Å; E140-V190 HydrophobicContact CG-CG2 4.27Å; E140-L193 HydrophobicContact CG-CD1 4.02Å
141	N	94.4	Very high	90.5	Very high	84 Å²	84	41 Å²	41	45%	0.449	20%	0.203	S	C	.	.	H	α-helix	trans	-57.5	-42.9	175.9	176.9	47.1	0	0	0	111.9	D137 L138 R144 R145	D137-N141 WeakPolarHBondContact O-CB 3.35Å; D137-N141 PolarHBondContact O-N 3.45Å; L138-N141 PolarHBondContact O-N 3.01Å; N141-R144 PolarHBondContact O-N 2.88Å; N141-R145 PolarHBondContact O-N 2.87Å
142	H	94	Very high	90.5	Very high	14 Å²	14	40.8 Å²	40.8	7%	0.065	20%	0.202	C	C	.	.	H	α-helix	trans	-64.7	-43.7	175.9	-80.8	-166.4	0	0	0	112.6	Y109 L138 L139 E140 R145 L146 I152 E153	Y109-H142 HydrophobicContact CE1-CB 4.45Å; Y109-H142 AromaticContact CE1-ND1 3.51Å; Y109-H142 AromaticContact CZ-ND1 3.67Å; Y109-H142 PolarHBondContact OH-ND1 2.91Å; L138-H142 WeakPolarHBondContact CD1-NE2 3.27Å; L138-H142 VanDerWaalsContact O-CB 3.29Å; L138-H142 WeakPolarHBondContact O-CB 3.4Å; L138-H142 PolarHBondContact O-CD2 3.48Å; L138-H142 VanDerWaalsContact O-CG 3.28Å; L138-H142 PolarHBondContact O-N 3.32Å; L139-H142 PolarHBondContact O-N 3.41Å; E140-H142 VanDerWaalsContact C-N 3.3Å; E140-H142 PolarHBondContact O-N 3.15Å; H142-R145 PolarHBondContact O-N 3.25Å; H142-L146 PolarHBondContact O-N 2.89Å; H142-I152 HydrophobicContact CB-CB 4.46Å; H142-I152 HydrophobicContact CB-CD1 3.7Å; H142-I152 HydrophobicContact CB-CG2 4.17Å; H142-E153 PolarHBondContact CE1-O 3.2Å; H142-E153 VanDerWaalsContact CE1-O 3.28Å
143	L	92.2	Very high	90.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-68.6	-34.3	178.6	-171.3	57.4	0	0	0	112.2	V74 L139 E140 R147 I177 V190 L193	V74-L143 HydrophobicContact CG1-CD1 3.88Å; V74-L143 HydrophobicContact CG1-CD2 4.25Å; V74-L143 HydrophobicContact CG2-CD1 4.19Å; L139-L143 WeakPolarHBondContact O-CB 3.18Å; L139-L143 PolarHBondContact O-N 3.39Å; E140-L143 PolarHBondContact O-N 2.69Å; L143-R147 WeakPolarHBondContact O-CB 3.3Å; L143-R147 PolarHBondContact O-N 3.08Å; L143-I177 HydrophobicContact CD1-CG2 4.14Å; L143-V190 HydrophobicContact CD2-CG1 3.67Å; L143-L193 HydrophobicContact CB-CD1 4.14Å; L143-L193 HydrophobicContact CD2-CB 3.67Å; L143-L193 HydrophobicContact CD2-CD1 4.06Å; L143-L193 HydrophobicContact CG-CB 4.04Å; L143-L193 HydrophobicContact CG-CD1 4.05Å
144	R	93	Very high	90.4	Very high	123 Å²	123	41.5 Å²	41.5	46%	0.464	20%	0.198	S	C	.	.	H	α-helix	trans	-62.5	-52.9	170	-72.4	173.8	179.2	-85.1	3.7	111.5	E140 N141 L146 R147 D148 L193	E140-R144 WeakPolarHBondContact O-CB 3.49Å; E140-R144 VanDerWaalsContact O-CG 3.31Å; E140-R144 WeakPolarHBondContact O-CG 3.39Å; E140-R144 PolarHBondContact O-N 3.42Å; E140-R144 IonicContact OE1-CZ 2.69Å; E140-R144 IonicContact OE1-NE 3.51Å; E140-R144 PolarHBondContact OE1-NE 3.31Å; E140-R144 IonicContact OE1-NH2 2.97Å; E140-R144 PolarHBondContact OE1-NH2 2.9Å; N141-R144 PolarHBondContact O-N 2.88Å; R144-L146 VanDerWaalsContact C-N 3.32Å; R144-L146 PolarHBondContact O-N 2.9Å; R144-R147 WeakPolarHBondContact O-CA 3.36Å; R144-R147 WeakPolarHBondContact O-CB 3.47Å; R144-R147 PolarHBondContact O-N 3.42Å; R144-D148 PolarHBondContact O-N 3.11Å; R144-L193 HydrophobicContact CG-CD1 3.77Å; R144-L193 HydrophobicContact CG-CD2 4.34Å
145	R	91.5	Very high	90.2	Very high	59 Å²	59	42 Å²	42	22%	0.223	20%	0.201	C	C	.	.	H	α-helix	trans	-53.9	-46.3	177.5	-81.9	-175.4	62.8	97	0.9	112.3	N141 H142 R147 D148 G149 K150 T151 I152 D499	N141-R145 PolarHBondContact O-N 2.87Å; H142-R145 PolarHBondContact O-N 3.25Å; R145-R147 VanDerWaalsContact C-N 3.34Å; R145-R147 PolarHBondContact O-N 3.29Å; R145-D148 PolarHBondContact O-N 3.14Å; R145-G149 PolarHBondContact O-N 2.93Å; R145-K150 HydrophobicContact CB-CB 4.29Å; R145-K150 WeakPolarHBondContact O-CB 3.44Å; R145-K150 PolarHBondContact O-N 3.44Å; R145-T151 VanDerWaalsContact CZ-O 3.28Å; R145-T151 PolarHBondContact NE-O 3.45Å; R145-T151 PolarHBondContact NH2-O 2.89Å; R145-I152 HydrophobicContact CB-CG2 3.61Å; R145-D499 IonicContact CZ-OD2 2.99Å; R145-D499 IonicContact NH1-OD1 3.3Å; R145-D499 IonicContact NH1-OD2 3.25Å; R145-D499 PolarHBondContact NH1-OD2 2.93Å; R145-D499 IonicContact NH2-OD2 2.75Å; R145-D499 PolarHBondContact NH2-OD2 2.77Å
146	L	88.7	Confident	89.9	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64	-36	175.9	-74.5	174.6	0	0	0	112.7	L104 H142 R144 D148 G149 I152 V171 Y172 I177	L104-L146 HydrophobicContact CD1-CD1 3.83Å; L104-L146 HydrophobicContact CG-CD1 4.5Å; H142-L146 PolarHBondContact O-N 2.89Å; R144-L146 VanDerWaalsContact C-N 3.32Å; R144-L146 PolarHBondContact O-N 2.9Å; L146-D148 VanDerWaalsContact C-N 3.32Å; L146-G149 WeakPolarHBondContact O-CA 3.39Å; L146-G149 PolarHBondContact O-N 2.84Å; L146-I152 HydrophobicContact CD1-CD1 3.58Å; L146-I152 HydrophobicContact CD1-CG1 4.23Å; L146-I152 HydrophobicContact CD2-CD1 4.4Å; L146-I152 HydrophobicContact CD2-CG1 4.15Å; L146-I152 HydrophobicContact CG-CD1 3.89Å; L146-I152 HydrophobicContact CG-CG1 4.09Å; L146-I152 HydrophobicContact CG-CG2 4.09Å; L146-V171 HydrophobicContact CD1-CG1 4.48Å; L146-V171 HydrophobicContact CD2-CG1 4.27Å; L146-Y172 WeakPolarHBondContact CD2-O 3.42Å; L146-I177 HydrophobicContact CB-CD1 3.64Å; L146-I177 HydrophobicContact CD1-CD1 4.23Å; L146-I177 HydrophobicContact CD1-CG2 4.24Å; L146-I177 HydrophobicContact CG-CD1 4.5Å
147	R	88	Confident	89.4	Confident	58 Å²	58	43.3 Å²	43.3	22%	0.219	21%	0.205	C	C	.	.	H	α-helix	trans	-67.1	-31.6	175.4	-166.4	174.3	-176.3	128.4	6.8	112.7	P72 L143 R144 R145 G149 L193 D195	P72-R147 WeakPolarHBondContact CD-O 3.43Å; P72-R147 HydrophobicContact CG-CB 4.49Å; P72-R147 HydrophobicContact CG-CG 4.48Å; L143-R147 WeakPolarHBondContact O-CB 3.3Å; L143-R147 PolarHBondContact O-N 3.08Å; R144-R147 WeakPolarHBondContact O-CA 3.36Å; R144-R147 WeakPolarHBondContact O-CB 3.47Å; R144-R147 PolarHBondContact O-N 3.42Å; R145-R147 VanDerWaalsContact C-N 3.34Å; R145-R147 PolarHBondContact O-N 3.29Å; R147-G149 PolarHBondContact O-N 3.31Å; R147-L193 PolarHBondContact NH1-O 2.94Å; R147-D195 IonicContact NH1-OD1 2.76Å; R147-D195 IonicContact NH2-OD1 2.73Å
148	D	85.2	Confident	88.8	Confident	101 Å²	101	40 Å²	40	54%	0.54	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-5.4	169.6	-57.2	-30	0	0	0	112.7	R144 R145 L146 K150	R144-D148 PolarHBondContact O-N 3.11Å; R145-D148 PolarHBondContact O-N 3.14Å; L146-D148 VanDerWaalsContact C-N 3.32Å; D148-K150 HydrophobicContact CB-CG 4.45Å
149	G	80.9	Confident	87.9	Confident	5 Å²	5	42 Å²	42	5%	0.052	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	-5.6	-177.5	0	0	0	0	0	115	R145 L146 R147 E497	R145-G149 PolarHBondContact O-N 2.93Å; L146-G149 WeakPolarHBondContact O-CA 3.39Å; L146-G149 PolarHBondContact O-N 2.84Å; R147-G149 PolarHBondContact O-N 3.31Å; G149-E497 WeakPolarHBondContact O-CG 3.07Å
150	K	85.9	Confident	86.9	Confident	72 Å²	72	51 Å²	51	31%	0.313	23%	0.233	S	C	.	.			trans	-72.7	152.8	-175.6	-60.8	-170.8	170.9	-160.7	0	112.5	R145 D148 D499	R145-K150 HydrophobicContact CB-CB 4.29Å; R145-K150 WeakPolarHBondContact O-CB 3.44Å; R145-K150 PolarHBondContact O-N 3.44Å; D148-K150 HydrophobicContact CB-CG 4.45Å; K150-D499 WeakPolarHBondContact CD-OD1 3.39Å; K150-D499 WeakPolarHBondContact CE-OD1 3.42Å; K150-D499 IonicContact NZ-OD1 3.49Å; K150-D499 PolarHBondContact NZ-OD1 3.08Å
151	T	86.3	Confident	85.9	Confident	11 Å²	11	53 Å²	53	7%	0.067	25%	0.249	C	C	.	.			trans	-69.5	158.7	172.4	64.8	0	0	0	0	111.8	R145 V171 Y172 E497	R145-T151 VanDerWaalsContact CZ-O 3.28Å; R145-T151 PolarHBondContact NE-O 3.45Å; R145-T151 PolarHBondContact NH2-O 2.89Å; T151-V171 WeakPolarHBondContact CA-O 3.39Å; T151-Y172 HydrophobicContact CG2-CD1 3.75Å; T151-Y172 HydrophobicContact CG2-CE1 4.36Å; T151-E497 HydrophobicContact CG2-CB 4.46Å; T151-E497 PolarHBondContact N-O 2.92Å; T151-E497 PolarHBondContact OG1-O 3.35Å
152	I	90.7	Very high	84.8	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	155.8	172.9	62.8	168.8	0	0	0	110.7	L104 H142 R145 L146 V154 T170 V171	L104-I152 HydrophobicContact CD1-CD1 4.33Å; L104-I152 HydrophobicContact CD2-CD1 4.09Å; H142-I152 HydrophobicContact CB-CB 4.46Å; H142-I152 HydrophobicContact CB-CD1 3.7Å; H142-I152 HydrophobicContact CB-CG2 4.17Å; R145-I152 HydrophobicContact CB-CG2 3.61Å; L146-I152 HydrophobicContact CD1-CD1 3.58Å; L146-I152 HydrophobicContact CD1-CG1 4.23Å; L146-I152 HydrophobicContact CD2-CD1 4.4Å; L146-I152 HydrophobicContact CD2-CG1 4.15Å; L146-I152 HydrophobicContact CG-CD1 3.89Å; L146-I152 HydrophobicContact CG-CG1 4.09Å; L146-I152 HydrophobicContact CG-CG2 4.09Å; I152-V154 HydrophobicContact CD1-CG2 3.65Å; I152-V154 HydrophobicContact CG1-CG2 4Å; I152-T170 CarbonylContact O-C 3.52Å; I152-T170 WeakPolarHBondContact O-CA 3.46Å; I152-V171 HydrophobicContact CD1-CB 4.29Å; I152-V171 HydrophobicContact CG1-CB 3.83Å; I152-V171 HydrophobicContact CG1-CG1 4.48Å; I152-V171 PolarHBondContact N-O 3.36Å; I152-V171 PolarHBondContact O-N 3.48Å
153	E	89	Confident	84	Confident	77 Å²	77	51 Å²	51	36%	0.36	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	94.7	177.3	-73.9	-59.8	146.6	0	0	109.5	H142 T168 T170	H142-E153 PolarHBondContact CE1-O 3.2Å; H142-E153 VanDerWaalsContact CE1-O 3.28Å; E153-T168 HydrophobicContact CB-CG2 4.05Å; E153-T168 WeakPolarHBondContact OE2-CB 3.41Å; E153-T168 PolarHBondContact OE2-OG1 2.89Å; E153-T170 VanDerWaalsContact OE1-CB 3.27Å; E153-T170 WeakPolarHBondContact OE1-CB 3.37Å; E153-T170 WeakPolarHBondContact OE1-CG2 3.3Å; E153-T170 PolarHBondContact OE1-OG1 2.81Å; E153-T170 PolarHBondContact OE2-N 2.97Å; E153-T170 PolarHBondContact OE2-OG1 2.81Å
154	V	89.3	Confident	83.5	Confident	8 Å²	8	53.8 Å²	53.8	5%	0.048	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	124.5	-176.7	-177.2	0	0	0	0	109.5	L104 Y109 I152 T168 N169 V171	L104-V154 HydrophobicContact CD2-CG2 3.82Å; Y109-V154 HydrophobicContact CE2-CG1 4.15Å; I152-V154 HydrophobicContact CD1-CG2 3.65Å; I152-V154 HydrophobicContact CG1-CG2 4Å; V154-T168 CarbonylContact O-C 3.54Å; V154-T168 VanDerWaalsContact O-CA 3.27Å; V154-T168 WeakPolarHBondContact O-CA 3.35Å; V154-N169 PolarHBondContact N-O 2.92Å; V154-N169 PolarHBondContact O-N 2.84Å; V154-V171 HydrophobicContact CB-CG2 4.4Å; V154-V171 HydrophobicContact CG2-CB 4.14Å; V154-V171 HydrophobicContact CG2-CG2 3.57Å
155	P	87.9	Confident	82.9	Confident	12 Å²	12	50.2 Å²	50.2	8%	0.078	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	139.4	179.2	24.9	-33.1	0	0	0	112.5	S108 L138 R164	S108-P155 WeakPolarHBondContact CB-O 3.34Å; S108-P155 PolarHBondContact OG-O 3.3Å; L138-P155 HydrophobicContact CD2-CG 4.41Å; P155-R164 HydrophobicContact CB-CG 4.2Å
156	E	85.4	Confident	82.4	Confident	67 Å²	67	53.7 Å²	53.7	31%	0.313	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	125.6	165.6	-178.4	-176.3	-123.7	0	0	108.8	R164 T165 K167	E156-R164 CarbonylContact O-C 3.59Å; E156-R164 WeakPolarHBondContact O-CA 3.46Å; E156-T165 HydrophobicContact CB-CG2 4.32Å; E156-T165 HydrophobicContact CG-CG2 3.94Å; E156-T165 PolarHBondContact O-N 3.24Å; E156-T165 WeakPolarHBondContact OE2-CB 3.44Å; E156-T165 VanDerWaalsContact OE2-CG2 3.26Å; E156-T165 WeakPolarHBondContact OE2-CG2 3.48Å; E156-T165 PolarHBondContact OE2-OG1 2.99Å; E156-K167 HydrophobicContact CB-CB 4.48Å; E156-K167 PolarHBondContact N-O 3.2Å; E156-K167 VanDerWaalsContact N-O 3.17Å
157	Y	82.1	Confident	82.1	Confident	17 Å²	17	60 Å²	60	7%	0.067	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.1	179.1	-178.5	-103	0	0	0	110.7	Y110 F159 H162 S163 R164	Y110-Y157 AromaticContact CD2-CD1 3.64Å; Y110-Y157 HydrophobicContact CD2-CD1 3.64Å; Y110-Y157 AromaticContact CD2-CE1 3.38Å; Y110-Y157 HydrophobicContact CD2-CE1 3.38Å; Y110-Y157 HydrophobicContact CD2-CE2 4.49Å; Y110-Y157 HydrophobicContact CD2-CG 4.28Å; Y110-Y157 AromaticContact CD2-CZ 3.85Å; Y110-Y157 HydrophobicContact CE2-CD1 4.47Å; Y110-Y157 HydrophobicContact CE2-CE1 4.18Å; Y110-Y157 HydrophobicContact CG-CD1 4.43Å; Y110-Y157 AromaticContact CG-CE1 3.94Å; Y110-Y157 HydrophobicContact CG-CE1 3.94Å; Y110-Y157 HydrophobicContact CG-CE2 4.38Å; Y110-Y157 AromaticContact CG-CZ 3.91Å; Y157-F159 HydrophobicContact CD1-CD1 4.13Å; Y157-F159 HydrophobicContact CD1-CE1 4.19Å; Y157-F159 HydrophobicContact CD1-CG 4.44Å; Y157-F159 HydrophobicContact CE1-CD1 4.02Å; Y157-F159 HydrophobicContact CE1-CE1 4.35Å; Y157-H162 WeakPolarHBondContact OH-CA 3.44Å; Y157-S163 WeakPolarHBondContact CD2-O 3.49Å; Y157-R164 HydrophobicContact CD2-CG 4.21Å
158	D	79.3	Confident	81.9	Confident	48 Å²	48	60.4 Å²	60.4	26%	0.257	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	114.6	175.7	172.1	35	0	0	0	111.2	K160 T161 H162 S163 T165	D158-K160 PolarHBondContact O-N 2.83Å; D158-K160 WeakPolarHBondContact OD1-CB 3.25Å; D158-K160 PolarHBondContact OD1-N 2.68Å; D158-T161 VanDerWaalsContact OD2-CB 3.27Å; D158-T161 WeakPolarHBondContact OD2-CB 3.48Å; D158-T161 VanDerWaalsContact OD2-CG2 3.25Å; D158-T161 WeakPolarHBondContact OD2-CG2 3.41Å; D158-T161 PolarHBondContact OD2-N 3.49Å; D158-T161 PolarHBondContact OD2-OG1 3Å; D158-H162 WeakPolarHBondContact O-CA 3.34Å; D158-H162 PolarHBondContact O-N 2.97Å; D158-S163 PolarHBondContact N-O 3.11Å; D158-S163 PolarHBondContact O-N 3.37Å; D158-T165 HydrophobicContact CB-CG2 4.39Å
159	F	74.6	Confident	81.7	Confident	82 Å²	82	60.1 Å²	60.1	36%	0.36	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-14.7	176.2	-59.3	-84.8	0	0	0	114.2	D107 Y110 Y157 H162	D107-F159 HydrophobicContact CB-CE1 4.14Å; D107-F159 HydrophobicContact CB-CZ 3.9Å; Y110-F159 HydrophobicContact CE2-CE1 4.26Å; Y157-F159 HydrophobicContact CD1-CD1 4.13Å; Y157-F159 HydrophobicContact CD1-CE1 4.19Å; Y157-F159 HydrophobicContact CD1-CG 4.44Å; Y157-F159 HydrophobicContact CE1-CD1 4.02Å; Y157-F159 HydrophobicContact CE1-CE1 4.35Å; F159-H162 PolarHBondContact O-CE1 3.06Å; F159-H162 PolarHBondContact O-ND1 2.85Å
160	K	73.1	Confident	81.7	Confident	191 Å²	191	62.5 Å²	62.5	83%	0.83	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-48.1	177.8	-62.3	-177.5	177	-176.3	0	112.3	D158	D158-K160 PolarHBondContact O-N 2.83Å; D158-K160 WeakPolarHBondContact OD1-CB 3.25Å; D158-K160 PolarHBondContact OD1-N 2.68Å
161	T	72.9	Confident	81.5	Confident	81 Å²	81	60.2 Å²	60.2	50%	0.497	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-6.4	178.7	58	0	0	0	0	114	D158 S163	D158-T161 VanDerWaalsContact OD2-CB 3.27Å; D158-T161 WeakPolarHBondContact OD2-CB 3.48Å; D158-T161 VanDerWaalsContact OD2-CG2 3.25Å; D158-T161 WeakPolarHBondContact OD2-CG2 3.41Å; D158-T161 PolarHBondContact OD2-N 3.49Å; D158-T161 PolarHBondContact OD2-OG1 3Å; T161-S163 VanDerWaalsContact C-N 3.31Å; T161-S163 PolarHBondContact O-N 3.38Å; T161-S163 PolarHBondContact OG1-OG 2.8Å
162	H	70.3	Confident	80.8	Confident	27 Å²	27	62.5 Å²	62.5	13%	0.125	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	52	49	-173.4	-61.9	-46.8	0	0	0	112.1	L113 F128 Y157 D158 F159	L113-H162 HydrophobicContact CD1-CB 3.82Å; F128-H162 HydrophobicContact CZ-CB 4.38Å; F128-H162 AromaticContact CZ-CD2 3.97Å; F128-H162 AromaticContact CZ-CE1 3.78Å; F128-H162 AromaticContact CZ-CG 3.76Å; F128-H162 AromaticContact CZ-ND1 3.64Å; F128-H162 AromaticContact CZ-NE2 3.96Å; Y157-H162 WeakPolarHBondContact OH-CA 3.44Å; D158-H162 WeakPolarHBondContact O-CA 3.34Å; D158-H162 PolarHBondContact O-N 2.97Å; F159-H162 PolarHBondContact O-CE1 3.06Å; F159-H162 PolarHBondContact O-ND1 2.85Å
163	S	77.4	Confident	79.8	Confident	27 Å²	27	62.4 Å²	62.4	19%	0.189	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	154.3	-175.7	76.8	0	0	0	0	112.7	Y157 D158 T161	Y157-S163 WeakPolarHBondContact CD2-O 3.49Å; D158-S163 PolarHBondContact N-O 3.11Å; D158-S163 PolarHBondContact O-N 3.37Å; T161-S163 VanDerWaalsContact C-N 3.31Å; T161-S163 PolarHBondContact O-N 3.38Å; T161-S163 PolarHBondContact OG1-OG 2.8Å
164	R	82.3	Confident	79	Confident	59 Å²	59	58.9 Å²	58.9	22%	0.223	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	136.4	166.8	-65.5	179.3	-176.9	174.4	1.1	108.7	Y109 Y110 V112 D135 P155 E156 Y157	Y109-R164 PolarHBondContact O-NH2 3.25Å; Y110-R164 VanDerWaalsContact O-CZ 3.27Å; Y110-R164 PolarHBondContact O-NE 3.12Å; Y110-R164 PolarHBondContact O-NH2 3.3Å; V112-R164 HydrophobicContact CG2-CB 4.13Å; V112-R164 HydrophobicContact CG2-CG 4.01Å; D135-R164 IonicContact OD2-CZ 2.82Å; D135-R164 VanDerWaalsContact OD2-CZ 3.25Å; D135-R164 IonicContact OD2-NH1 2.75Å; D135-R164 PolarHBondContact OD2-NH1 3.49Å; D135-R164 IonicContact OD2-NH2 3.22Å; D135-R164 PolarHBondContact OD2-NH2 3.05Å; P155-R164 HydrophobicContact CB-CG 4.2Å; E156-R164 CarbonylContact O-C 3.59Å; E156-R164 WeakPolarHBondContact O-CA 3.46Å; Y157-R164 HydrophobicContact CD2-CG 4.21Å
165	T	80.4	Confident	78.4	Confident	48 Å²	48	60.2 Å²	60.2	29%	0.294	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	172.6	173.3	87.8	0	0	0	0	110.1	E156 D158 K167	E156-T165 HydrophobicContact CB-CG2 4.32Å; E156-T165 HydrophobicContact CG-CG2 3.94Å; E156-T165 PolarHBondContact O-N 3.24Å; E156-T165 WeakPolarHBondContact OE2-CB 3.44Å; E156-T165 VanDerWaalsContact OE2-CG2 3.26Å; E156-T165 WeakPolarHBondContact OE2-CG2 3.48Å; E156-T165 PolarHBondContact OE2-OG1 2.99Å; D158-T165 HydrophobicContact CB-CG2 4.39Å; T165-K167 PolarHBondContact O-N 3.26Å; T165-K167 WeakPolarHBondContact OG1-CB 3.17Å; T165-K167 PolarHBondContact OG1-N 3.17Å
166	S	80.4	Confident	78.2	Confident	132 Å²	132	59.8 Å²	59.8	92%	0.923	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	7.1	171.6	55.2	0	0	0	0	113.8
167	K	82.2	Confident	78.4	Confident	132 Å²	132	56.6 Å²	56.6	57%	0.574	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	146.8	177.6	-57	179.4	-167.1	158.1	0	111.3	E156 T165	E156-K167 HydrophobicContact CB-CB 4.48Å; E156-K167 PolarHBondContact N-O 3.2Å; E156-K167 VanDerWaalsContact N-O 3.17Å; T165-K167 PolarHBondContact O-N 3.26Å; T165-K167 WeakPolarHBondContact OG1-CB 3.17Å; T165-K167 PolarHBondContact OG1-N 3.17Å
168	T	83.9	Confident	78.8	Confident	68 Å²	68	55.8 Å²	55.8	42%	0.417	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	153.4	169.6	51.9	0	0	0	0	109.2	E153 V154	E153-T168 HydrophobicContact CB-CG2 4.05Å; E153-T168 WeakPolarHBondContact OE2-CB 3.41Å; E153-T168 PolarHBondContact OE2-OG1 2.89Å; V154-T168 CarbonylContact O-C 3.54Å; V154-T168 VanDerWaalsContact O-CA 3.27Å; V154-T168 WeakPolarHBondContact O-CA 3.35Å
169	N	81.3	Confident	79.5	Confident	94 Å²	94	53.5 Å²	53.5	50%	0.503	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	114	170.6	-66.7	-60.4	0	0	0	108.1	V154 V171	V154-N169 PolarHBondContact N-O 2.92Å; V154-N169 PolarHBondContact O-N 2.84Å; N169-V171 PolarHBondContact O-N 3.16Å
170	T	80.9	Confident	80.5	Confident	56 Å²	56	50 Å²	50	34%	0.344	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	114.5	173	-46.2	0	0	0	0	109.4	I152 E153 Y172	I152-T170 CarbonylContact O-C 3.52Å; I152-T170 WeakPolarHBondContact O-CA 3.46Å; E153-T170 VanDerWaalsContact OE1-CB 3.27Å; E153-T170 WeakPolarHBondContact OE1-CB 3.37Å; E153-T170 WeakPolarHBondContact OE1-CG2 3.3Å; E153-T170 PolarHBondContact OE1-OG1 2.81Å; E153-T170 PolarHBondContact OE2-N 2.97Å; E153-T170 PolarHBondContact OE2-OG1 2.81Å; T170-Y172 HydrophobicContact CG2-CE1 4.13Å; T170-Y172 HydrophobicContact CG2-CE2 4.45Å
171	V	81.7	Confident	81.4	Confident	24 Å²	24	41 Å²	41	15%	0.145	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	119.8	170.5	177	0	0	0	0	107.9	S102 L104 L146 T151 I152 V154 N169	S102-V171 WeakPolarHBondContact OG-CG1 3.49Å; L104-V171 HydrophobicContact CD2-CG1 4.23Å; L104-V171 HydrophobicContact CD2-CG2 4.21Å; L146-V171 HydrophobicContact CD1-CG1 4.48Å; L146-V171 HydrophobicContact CD2-CG1 4.27Å; T151-V171 WeakPolarHBondContact CA-O 3.39Å; I152-V171 HydrophobicContact CD1-CB 4.29Å; I152-V171 HydrophobicContact CG1-CB 3.83Å; I152-V171 HydrophobicContact CG1-CG1 4.48Å; I152-V171 PolarHBondContact N-O 3.36Å; I152-V171 PolarHBondContact O-N 3.48Å; V154-V171 HydrophobicContact CB-CG2 4.4Å; V154-V171 HydrophobicContact CG2-CB 4.14Å; V154-V171 HydrophobicContact CG2-CG2 3.57Å; N169-V171 PolarHBondContact O-N 3.16Å
172	Y	72.9	Confident	82.4	Confident	58 Å²	58	37.5 Å²	37.5	23%	0.227	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-77.5	159.9	176.5	-55.4	-85.7	0	0	0	110.7	S102 L146 T151 T170 I464 H498	S102-Y172 PolarHBondContact OG-O 3.07Å; L146-Y172 WeakPolarHBondContact CD2-O 3.42Å; T151-Y172 HydrophobicContact CG2-CD1 3.75Å; T151-Y172 HydrophobicContact CG2-CE1 4.36Å; T170-Y172 HydrophobicContact CG2-CE1 4.13Å; T170-Y172 HydrophobicContact CG2-CE2 4.45Å; Y172-I464 HydrophobicContact CD1-CD1 3.93Å; Y172-I464 HydrophobicContact CE1-CB 4.4Å; Y172-I464 HydrophobicContact CE1-CD1 3.65Å; Y172-I464 HydrophobicContact CE1-CG2 4.2Å; Y172-H498 AromaticContact CD1-CE1 3.98Å; Y172-H498 AromaticContact CE1-CE1 3.63Å; Y172-H498 AromaticContact CE1-NE2 3.55Å
173	G	69.7	Low	83.5	Confident	2 Å²	2	36.3 Å²	36.3	2%	0.021	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-52	146.6	161.5	0	0	0	0	0	110.5	R59	R59-G173 PolarHBondContact NE-O 3.44Å; R59-G173 PolarHBondContact NH1-O 3.49Å; R59-G173 VanDerWaalsContact NH1-O 3.17Å; R59-G173 PolarHBondContact NH2-O 2.88Å; R59-G173 VanDerWaalsContact NH2-O 3.09Å
174	A	71.9	Confident	84.2	Confident	3 Å²	3	35.1 Å²	35.1	3%	0.025	19%	0.192	C	C	.	.			trans	-150	146.8	-176.7	0	0	0	0	0	109.3	P72 S102 I176	P72-A174 WeakPolarHBondContact CB-O 3.17Å; S102-A174 VanDerWaalsContact OG-CB 3.28Å; S102-A174 WeakPolarHBondContact OG-CB 3.37Å; A174-I176 WeakPolarHBondContact CB-O 3.35Å; A174-I176 PolarHBondContact O-N 3.35Å; A174-I176 VanDerWaalsContact O-N 3.15Å
175	N	75.2	Confident	84.7	Confident	37 Å²	37	32.3 Å²	32.3	20%	0.198	18%	0.182	C	C	.	.	S	Bend	trans	-66.3	-22.2	-174.7	-61.5	11.8	0	0	0	111.6	W62 F73 L274	W62-N175 VanDerWaalsContact CB-OD1 3.26Å; W62-N175 WeakPolarHBondContact CB-OD1 3.36Å; F73-N175 PolarHBondContact N-O 2.79Å; N175-L274 HydrophobicContact CB-CD2 4.1Å
176	I	84	Confident	85.3	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	135.7	169.1	-59.2	154.3	0	0	0	108.4	F73 I75 L96 V101 S102 A174 I178 I270 L274	F73-I176 WeakPolarHBondContact O-CA 3.46Å; I75-I176 HydrophobicContact CD1-CG2 3.57Å; I75-I176 HydrophobicContact CG1-CG2 4.29Å; L96-I176 HydrophobicContact CD1-CD1 3.9Å; V101-I176 WeakPolarHBondContact CA-O 3.42Å; V101-I176 HydrophobicContact CG1-CB 4.13Å; V101-I176 HydrophobicContact CG1-CG2 3.91Å; V101-I176 HydrophobicContact CG2-CB 4.34Å; V101-I176 HydrophobicContact CG2-CD1 4.2Å; S102-I176 PolarHBondContact N-O 2.91Å; A174-I176 WeakPolarHBondContact CB-O 3.35Å; A174-I176 PolarHBondContact O-N 3.35Å; A174-I176 VanDerWaalsContact O-N 3.15Å; I176-I178 HydrophobicContact CG2-CG1 4.15Å; I176-I270 HydrophobicContact CD1-CG2 3.31Å; I176-I270 HydrophobicContact CG1-CG2 3.99Å; I176-L274 HydrophobicContact CD1-CD1 3.83Å; I176-L274 HydrophobicContact CD1-CD2 3.89Å; I176-L274 HydrophobicContact CD1-CG 4.01Å; I176-L274 HydrophobicContact CG1-CD2 4.06Å
177	I	89.2	Confident	85.8	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	118.4	172.1	-60.4	157.4	0	0	0	107.2	P72 F73 V74 I75 S102 L104 L143 L146	P72-I177 HydrophobicContact CB-CD1 3.69Å; P72-I177 HydrophobicContact CB-CG1 4.23Å; P72-I177 HydrophobicContact CG-CD1 3.53Å; F73-I177 PolarHBondContact O-N 3.38Å; V74-I177 WeakPolarHBondContact CA-O 3.48Å; V74-I177 HydrophobicContact CG2-CB 4.39Å; V74-I177 HydrophobicContact CG2-CD1 4.18Å; I75-I177 PolarHBondContact N-O 3.4Å; S102-I177 CarbonylContact O-C 3.57Å; S102-I177 WeakPolarHBondContact O-CA 3.36Å; L104-I177 HydrophobicContact CD1-CG2 4.37Å; L143-I177 HydrophobicContact CD1-CG2 4.14Å; L146-I177 HydrophobicContact CB-CD1 3.64Å; L146-I177 HydrophobicContact CD1-CD1 4.23Å; L146-I177 HydrophobicContact CD1-CG2 4.24Å; L146-I177 HydrophobicContact CG-CD1 4.5Å
178	I	92.1	Very high	86.2	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	125.1	172.5	-61.7	179.2	0	0	0	108	I75 I77 A89 I92 I93 V101 S102 L103 L104 I176	I75-I178 HydrophobicContact CB-CG1 4.33Å; I75-I178 HydrophobicContact CD1-CG1 4.23Å; I75-I178 CarbonylContact O-C 3.58Å; I75-I178 WeakPolarHBondContact O-CA 3.46Å; I77-I178 HydrophobicContact CD1-CG2 3.46Å; I77-I178 VanDerWaalsContact CD1-CG2 3.46Å; I77-I178 HydrophobicContact CG1-CG2 4.07Å; A89-I178 HydrophobicContact CB-CG2 4.1Å; I92-I178 HydrophobicContact CB-CD1 4.35Å; I92-I178 HydrophobicContact CG2-CD1 3.84Å; I93-I178 HydrophobicContact CD1-CD1 4.33Å; I93-I178 HydrophobicContact CG1-CD1 3.86Å; V101-I178 HydrophobicContact CG1-CD1 3.6Å; V101-I178 HydrophobicContact CG1-CG1 3.71Å; S102-I178 PolarHBondContact O-N 2.83Å; L103-I178 CarbonylContact C-O 3.59Å; L103-I178 WeakPolarHBondContact CA-O 3.31Å; L103-I178 HydrophobicContact CD1-CB 3.93Å; L103-I178 HydrophobicContact CD1-CG2 3.64Å; L104-I178 PolarHBondContact N-O 3.09Å; I176-I178 HydrophobicContact CG2-CG1 4.15Å
179	I	93.9	Very high	86.6	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	115.6	173.1	177.6	177.7	0	0	0	109.5	V74 I75 G76 I77 L104 L139 V184 V190 M194	V74-I179 HydrophobicContact CG1-CG2 4.39Å; I75-I179 PolarHBondContact O-N 2.99Å; G76-I179 CarbonylContact C-O 3.57Å; G76-I179 WeakPolarHBondContact CA-O 3.39Å; I77-I179 PolarHBondContact N-O 3.09Å; L104-I179 HydrophobicContact CB-CB 4.43Å; L104-I179 HydrophobicContact CB-CG1 4.45Å; L104-I179 CarbonylContact O-C 3.56Å; L104-I179 WeakPolarHBondContact O-CA 3.48Å; L139-I179 HydrophobicContact CD1-CD1 3.79Å; L139-I179 HydrophobicContact CD2-CD1 4.1Å; L139-I179 HydrophobicContact CG-CD1 4.15Å; I179-V184 HydrophobicContact CD1-CG1 4.18Å; I179-V184 HydrophobicContact CD1-CG2 4.41Å; I179-V184 HydrophobicContact CG1-CG1 4.06Å; I179-V184 HydrophobicContact CG1-CG2 4.01Å; I179-V184 HydrophobicContact CG2-CG1 4.1Å; I179-V190 HydrophobicContact CD1-CG1 4.09Å; I179-M194 HydrophobicContact CG2-CE 4.19Å
180	E	94	Very high	87.2	Confident	8 Å²	8	22.5 Å²	22.5	4%	0.037	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	143.2	-177.9	79.4	83.7	-156.3	0	0	112.9	I77 K85 T86 L103 L104 S105 L106	I77-E180 HydrophobicContact CB-CB 3.98Å; I77-E180 HydrophobicContact CG2-CB 4.5Å; I77-E180 WeakPolarHBondContact O-CA 3.48Å; K85-E180 HydrophobicContact CB-CB 4.45Å; K85-E180 WeakPolarHBondContact CB-OE2 3.34Å; K85-E180 WeakPolarHBondContact CE-OE2 3.47Å; T86-E180 PolarHBondContact OG1-OE1 3.06Å; T86-E180 PolarHBondContact OG1-OE2 2.81Å; L103-E180 HydrophobicContact CD1-CG 4.07Å; L104-E180 PolarHBondContact O-N 3.34Å; S105-E180 WeakPolarHBondContact CA-O 3.18Å; S105-E180 WeakPolarHBondContact CB-OE1 3.16Å; S105-E180 PolarHBondContact OG-OE1 3.07Å; L106-E180 WeakPolarHBondContact CB-O 3.2Å; L106-E180 PolarHBondContact N-O 2.97Å
181	G	93.3	Very high	87.8	Confident	3 Å²	3	20 Å²	20	3%	0.031	10%	0.101	C	C	.	.			trans	165.7	168	-179.9	0	0	0	0	0	115.1	I77 C78 K85 L183 V184	I77-G181 PolarHBondContact O-N 3.26Å; I77-G181 VanDerWaalsContact O-N 3.09Å; C78-G181 WeakPolarHBondContact CA-O 3.3Å; K85-G181 WeakPolarHBondContact CD-O 3.44Å; G181-L183 PolarHBondContact O-N 2.95Å; G181-V184 VanDerWaalsContact N-CG2 3.34Å
182	I	93.5	Very high	88.4	Confident	8 Å²	8	26.5 Å²	26.5	4%	0.041	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-29.5	-175.6	53.2	165.7	0	0	0	114.1	C78 K85 L106 D129 F134 I242	C78-I182 PolarHBondContact SG-O 3.4Å; C78-I182 VanDerWaalsContact SG-O 3.39Å; K85-I182 VanDerWaalsContact NZ-CG2 3.34Å; L106-I182 HydrophobicContact CD2-CG1 4.37Å; D129-I182 HydrophobicContact CB-CD1 4.06Å; F134-I182 HydrophobicContact CE2-CD1 4.11Å; F134-I182 HydrophobicContact CE2-CG1 4.37Å; F134-I182 HydrophobicContact CZ-CD1 3.89Å; F134-I182 HydrophobicContact CZ-CG1 3.98Å; I182-I242 HydrophobicContact CB-CD1 3.85Å; I182-I242 HydrophobicContact CG2-CD1 4.37Å; I182-I242 WeakPolarHBondContact O-CG1 3.48Å; I182-I242 WeakPolarHBondContact O-CG2 3.18Å
183	L	92.7	Very high	89.3	Confident	2 Å²	2	24.7 Å²	24.7	1%	0.01	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.9	25.4	-174.6	-68.8	171.6	0	0	0	112.9	L106 P131 F134 G181 F185 Y186 F241 I242	L106-L183 HydrophobicContact CD2-CB 4.01Å; P131-L183 HydrophobicContact CB-CD1 4.29Å; P131-L183 HydrophobicContact CG-CD1 3.89Å; F134-L183 HydrophobicContact CD2-CD1 3.99Å; F134-L183 HydrophobicContact CE2-CD1 3.83Å; G181-L183 PolarHBondContact O-N 2.95Å; L183-F185 PolarHBondContact O-N 3.38Å; L183-Y186 VanDerWaalsContact O-CB 3.26Å; L183-Y186 WeakPolarHBondContact O-CB 3.4Å; L183-Y186 PolarHBondContact O-N 3.05Å; L183-F241 HydrophobicContact CD2-CB 3.55Å; L183-I242 HydrophobicContact CD2-CG1 3.76Å; L183-I242 HydrophobicContact CG-CG1 4.46Å
184	V	91.9	Very high	90.5	Very high	2 Å²	2	25 Å²	25	1%	0.012	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-36.5	-177.6	166.4	0	0	0	0	112.5	L106 I179 G181 M194	L106-V184 HydrophobicContact CB-CG2 4.2Å; L106-V184 HydrophobicContact CD2-CG2 4.21Å; I179-V184 HydrophobicContact CD1-CG1 4.18Å; I179-V184 HydrophobicContact CD1-CG2 4.41Å; I179-V184 HydrophobicContact CG1-CG1 4.06Å; I179-V184 HydrophobicContact CG1-CG2 4.01Å; I179-V184 HydrophobicContact CG2-CG1 4.1Å; G181-V184 VanDerWaalsContact N-CG2 3.34Å; V184-M194 HydrophobicContact CG1-CE 3.33Å; V184-M194 HydrophobicContact CG1-SD 4.06Å; V184-M194 WeakPolarHBondContact O-CE 3.48Å
185	F	93.6	Very high	91.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-4.7	177.2	-57.9	-17.1	0	0	0	114.1	C78 L183 M194 K197 V198 F199 Q248 A249	C78-F185 HydrophobicContact CB-CD1 3.98Å; C78-F185 HydrophobicContact CB-CD2 3.37Å; C78-F185 HydrophobicContact CB-CE1 3.89Å; C78-F185 HydrophobicContact CB-CE2 3.29Å; C78-F185 HydrophobicContact CB-CG 3.7Å; C78-F185 HydrophobicContact CB-CZ 3.53Å; L183-F185 PolarHBondContact O-N 3.38Å; F185-M194 HydrophobicContact CD1-CE 4.3Å; F185-M194 HydrophobicContact CD1-SD 3.83Å; F185-M194 HydrophobicContact CE1-SD 3.78Å; F185-K197 HydrophobicContact CD1-CG 4.26Å; F185-K197 HydrophobicContact CE1-CB 3.79Å; F185-K197 HydrophobicContact CE1-CG 3.78Å; F185-K197 HydrophobicContact CE2-CB 4.13Å; F185-K197 HydrophobicContact CZ-CB 3.56Å; F185-K197 HydrophobicContact CZ-CG 4.1Å; F185-V198 WeakPolarHBondContact CZ-O 3.47Å; F185-F199 HydrophobicContact CE2-CB 4.4Å; F185-F199 HydrophobicContact CE2-CD2 4.36Å; F185-Q248 PolarHBondContact O-OE1 3.21Å; F185-A249 HydrophobicContact CE2-CB 4.2Å
186	Y	92.3	Very high	92.3	Very high	113 Å²	113	26.8 Å²	26.8	44%	0.443	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-41.5	-176.4	179.2	-91.5	0	0	0	112.6	P131 L136 L183 Q188 F241	P131-Y186 HydrophobicContact CB-CD1 3.72Å; P131-Y186 HydrophobicContact CB-CE1 3.43Å; P131-Y186 VanDerWaalsContact CB-CE1 3.43Å; P131-Y186 HydrophobicContact CB-CE2 4.27Å; P131-Y186 HydrophobicContact CB-CG 4.27Å; P131-Y186 HydrophobicContact CG-CD1 3.95Å; P131-Y186 HydrophobicContact CG-CD2 3.83Å; P131-Y186 HydrophobicContact CG-CE1 3.72Å; P131-Y186 HydrophobicContact CG-CE2 3.59Å; P131-Y186 HydrophobicContact CG-CG 4.01Å; L136-Y186 HydrophobicContact CD1-CD1 4.02Å; L136-Y186 HydrophobicContact CD1-CE1 4.48Å; L183-Y186 VanDerWaalsContact O-CB 3.26Å; L183-Y186 WeakPolarHBondContact O-CB 3.4Å; L183-Y186 PolarHBondContact O-N 3.05Å; Y186-Q188 PolarHBondContact O-N 3.33Å; Y186-F241 HydrophobicContact CD2-CB 4.38Å; Y186-F241 HydrophobicContact CD2-CD1 4.32Å; Y186-F241 AromaticContact CE2-CD1 3.78Å; Y186-F241 HydrophobicContact CE2-CD1 3.78Å; Y186-F241 HydrophobicContact CE2-CE1 4.45Å
187	S	91.3	Very high	92.9	Very high	21 Å²	21	28.2 Å²	28.2	15%	0.147	14%	0.137	C	C	.	.	S	Bend	trans	-78.9	110.1	173.4	177.5	0	0	0	0	109.9	A189 V190 A191	S187-A189 PolarHBondContact O-N 2.85Å; S187-A189 VanDerWaalsContact O-N 3.13Å; S187-A189 PolarHBondContact OG-N 3.1Å; S187-V190 PolarHBondContact O-N 2.62Å; S187-V190 VanDerWaalsContact O-N 3.14Å; S187-V190 PolarHBondContact OG-N 3.41Å; S187-A191 WeakPolarHBondContact O-CB 3.36Å; S187-A191 PolarHBondContact O-N 3.45Å
188	Q	91.7	Very high	93.2	Very high	102 Å²	102	28.2 Å²	28.2	48%	0.477	14%	0.137	S	C	.	.	H	α-helix	trans	-58.5	-25.2	176.1	-174.1	58.6	84.2	0	0	113	Y186 K192	Y186-Q188 PolarHBondContact O-N 3.33Å; Q188-K192 WeakPolarHBondContact O-CB 3.37Å; Q188-K192 VanDerWaalsContact O-CG 3.24Å; Q188-K192 WeakPolarHBondContact O-CG 3.49Å; Q188-K192 PolarHBondContact O-N 3.15Å; Q188-K192 VanDerWaalsContact O-N 3.13Å
189	A	92.7	Very high	93.4	Very high	31 Å²	31	28.2 Å²	28.2	26%	0.256	14%	0.137	S	C	.	.	H	α-helix	trans	-76.7	-43.2	176.7	0	0	0	0	0	112	E140 S187 K192	E140-A189 HydrophobicContact CG-CB 4.47Å; E140-A189 WeakPolarHBondContact OE2-CB 3.28Å; S187-A189 PolarHBondContact O-N 2.85Å; S187-A189 VanDerWaalsContact O-N 3.13Å; S187-A189 PolarHBondContact OG-N 3.1Å; A189-K192 PolarHBondContact O-N 2.8Å
190	V	93.3	Very high	93.5	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	14%	0.137	C	C	.	.	H	α-helix	trans	-65.1	-41.9	171.8	-171.3	0	0	0	0	110.2	L139 E140 L143 I179 S187 K192 L193 M194	L139-V190 HydrophobicContact CD2-CG1 4.34Å; L139-V190 HydrophobicContact CD2-CG2 4.43Å; L139-V190 HydrophobicContact CG-CG1 4.45Å; E140-V190 HydrophobicContact CB-CG2 3.89Å; E140-V190 HydrophobicContact CG-CG2 4.27Å; L143-V190 HydrophobicContact CD2-CG1 3.67Å; I179-V190 HydrophobicContact CD1-CG1 4.09Å; S187-V190 PolarHBondContact O-N 2.62Å; S187-V190 VanDerWaalsContact O-N 3.14Å; S187-V190 PolarHBondContact OG-N 3.41Å; V190-K192 VanDerWaalsContact C-N 3.28Å; V190-K192 PolarHBondContact O-N 3.49Å; V190-L193 WeakPolarHBondContact O-CB 3.46Å; V190-L193 PolarHBondContact O-N 2.85Å; V190-M194 HydrophobicContact CB-CE 4.38Å; V190-M194 HydrophobicContact CG1-CE 3.7Å
191	A	93	Very high	93.5	Very high	3 Å²	3	30.4 Å²	30.4	3%	0.025	15%	0.149	C	C	.	.	H	α-helix	trans	-62.6	-30.2	177.4	0	0	0	0	0	113.7	S187 L193 M194	S187-A191 WeakPolarHBondContact O-CB 3.36Å; S187-A191 PolarHBondContact O-N 3.45Å; A191-L193 PolarHBondContact O-N 3.06Å; A191-M194 PolarHBondContact O-N 3.28Å
192	K	93.4	Very high	93.4	Very high	160 Å²	160	30.4 Å²	30.4	70%	0.696	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-16.1	172.3	-82.5	170.8	178.4	-179.8	0	113.8	Q188 A189 V190	Q188-K192 WeakPolarHBondContact O-CB 3.37Å; Q188-K192 VanDerWaalsContact O-CG 3.24Å; Q188-K192 WeakPolarHBondContact O-CG 3.49Å; Q188-K192 PolarHBondContact O-N 3.15Å; Q188-K192 VanDerWaalsContact O-N 3.13Å; A189-K192 PolarHBondContact O-N 2.8Å; V190-K192 VanDerWaalsContact C-N 3.28Å; V190-K192 PolarHBondContact O-N 3.49Å
193	L	92.8	Very high	93.4	Very high	20 Å²	20	34.7 Å²	34.7	11%	0.105	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-4	176	-62.4	169	0	0	0	112.6	V74 E140 L143 R144 R147 V190 A191	V74-L193 WeakPolarHBondContact CB-O 3.34Å; E140-L193 HydrophobicContact CG-CD1 4.02Å; L143-L193 HydrophobicContact CB-CD1 4.14Å; L143-L193 HydrophobicContact CD2-CB 3.67Å; L143-L193 HydrophobicContact CD2-CD1 4.06Å; L143-L193 HydrophobicContact CG-CB 4.04Å; L143-L193 HydrophobicContact CG-CD1 4.05Å; R144-L193 HydrophobicContact CG-CD1 3.77Å; R144-L193 HydrophobicContact CG-CD2 4.34Å; R147-L193 PolarHBondContact NH1-O 2.94Å; V190-L193 WeakPolarHBondContact O-CB 3.46Å; V190-L193 PolarHBondContact O-N 2.85Å; A191-L193 PolarHBondContact O-N 3.06Å
194	M	93.9	Very high	93.3	Very high	10 Å²	10	37 Å²	37	5%	0.049	19%	0.19	C	C	.	.			trans	-97.4	126.6	-178.6	-57.5	172	-159.2	0	0	112.5	V74 I179 V184 F185 V190 A191 K197	V74-M194 HydrophobicContact CG1-CB 4.26Å; V74-M194 HydrophobicContact CG1-CG 3.96Å; I179-M194 HydrophobicContact CG2-CE 4.19Å; V184-M194 HydrophobicContact CG1-CE 3.33Å; V184-M194 HydrophobicContact CG1-SD 4.06Å; V184-M194 WeakPolarHBondContact O-CE 3.48Å; F185-M194 HydrophobicContact CD1-CE 4.3Å; F185-M194 HydrophobicContact CD1-SD 3.83Å; F185-M194 HydrophobicContact CE1-SD 3.78Å; V190-M194 HydrophobicContact CB-CE 4.38Å; V190-M194 HydrophobicContact CG1-CE 3.7Å; A191-M194 PolarHBondContact O-N 3.28Å; M194-K197 HydrophobicContact CB-CG 4.03Å; M194-K197 HydrophobicContact SD-CG 3.98Å
195	D	93	Very high	93.3	Very high	65 Å²	65	42.3 Å²	42.3	35%	0.348	22%	0.219	S	C	.	.	S	Bend	trans	-85.4	-19.8	177.1	-47.1	-68.6	0	0	0	112.4	F73 V74 R147	F73-D195 HydrophobicContact CD2-CB 3.72Å; F73-D195 HydrophobicContact CE2-CB 3.53Å; F73-D195 HydrophobicContact CZ-CB 4.26Å; V74-D195 PolarHBondContact N-OD2 3.07Å; V74-D195 PolarHBondContact O-N 3.21Å; R147-D195 IonicContact NH1-OD1 2.76Å; R147-D195 IonicContact NH2-OD1 2.73Å
196	L	93.7	Very high	93.2	Very high	11 Å²	11	44.4 Å²	44.4	6%	0.058	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	129.9	173.6	-178.8	65.2	0	0	0	111.6	F73 V74 I75 G76 V198 D250 I251 I266	F73-L196 HydrophobicContact CE1-CB 4.13Å; F73-L196 HydrophobicContact CE1-CD2 4.37Å; F73-L196 HydrophobicContact CZ-CB 3.94Å; V74-L196 PolarHBondContact O-N 3.24Å; V74-L196 VanDerWaalsContact O-N 3.1Å; I75-L196 CarbonylContact C-O 3.53Å; I75-L196 WeakPolarHBondContact CA-O 3.41Å; I75-L196 HydrophobicContact CG1-CB 4.37Å; I75-L196 HydrophobicContact CG1-CD2 4.45Å; I75-L196 HydrophobicContact CG2-CB 4.46Å; I75-L196 HydrophobicContact CG2-CD2 4.22Å; I75-L196 HydrophobicContact CG2-CG 4.43Å; G76-L196 PolarHBondContact N-O 3.22Å; L196-V198 HydrophobicContact CD2-CG2 4.25Å; L196-V198 HydrophobicContact CG-CG2 4.13Å; L196-D250 HydrophobicContact CD1-CB 4.03Å; L196-I251 HydrophobicContact CD1-CD1 3.98Å; L196-I251 HydrophobicContact CD1-CG1 4.27Å; L196-I266 HydrophobicContact CD2-CG2 4.45Å
197	K	95.8	Very high	93.2	Very high	33 Å²	33	39.9 Å²	39.9	14%	0.143	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	107.1	-178	-69.4	161.1	-118.4	70	0	109.9	F185 M194 A249 D250 I251	F185-K197 HydrophobicContact CD1-CG 4.26Å; F185-K197 HydrophobicContact CE1-CB 3.79Å; F185-K197 HydrophobicContact CE1-CG 3.78Å; F185-K197 HydrophobicContact CE2-CB 4.13Å; F185-K197 HydrophobicContact CZ-CB 3.56Å; F185-K197 HydrophobicContact CZ-CG 4.1Å; M194-K197 HydrophobicContact CB-CG 4.03Å; M194-K197 HydrophobicContact SD-CG 3.98Å; K197-A249 CarbonylContact O-C 3.57Å; K197-D250 VanDerWaalsContact CB-OD2 3.31Å; K197-D250 WeakPolarHBondContact CB-OD2 3.31Å; K197-D250 PolarHBondContact N-OD2 2.7Å; K197-D250 IonicContact NZ-OD1 3.75Å; K197-D250 PolarHBondContact NZ-OD1 3.22Å; K197-D250 IonicContact NZ-OD2 2.83Å; K197-D250 PolarHBondContact NZ-OD2 3.05Å; K197-D250 PolarHBondContact O-N 2.9Å; K197-I251 PolarHBondContact O-N 2.72Å; K197-I251 VanDerWaalsContact O-N 3.11Å
198	V	95.4	Very high	93.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	123	178.6	-173.6	0	0	0	0	109.8	I75 G76 I77 C78 F185 L196 I251 V253 I266	I75-V198 HydrophobicContact CG2-CG2 4.21Å; G76-V198 PolarHBondContact O-N 3.02Å; I77-V198 CarbonylContact C-O 3.39Å; I77-V198 WeakPolarHBondContact CA-O 3.39Å; I77-V198 HydrophobicContact CG1-CB 4.42Å; C78-V198 PolarHBondContact N-O 3.42Å; F185-V198 WeakPolarHBondContact CZ-O 3.47Å; L196-V198 HydrophobicContact CD2-CG2 4.25Å; L196-V198 HydrophobicContact CG-CG2 4.13Å; V198-I251 CarbonylContact C-O 3.55Å; V198-I251 WeakPolarHBondContact CA-O 3.21Å; V198-V253 HydrophobicContact CG1-CB 4.4Å; V198-V253 HydrophobicContact CG1-CG2 3.5Å; V198-I266 HydrophobicContact CG1-CD1 4.05Å; V198-I266 HydrophobicContact CG2-CD1 4.17Å
199	F	96.3	Very high	93.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124	170.7	-167.2	-82.7	0	0	0	110.6	C78 F185 D201 I242 M246 A249 I251 I252 V253	C78-F199 HydrophobicContact CB-CD2 4.17Å; F185-F199 HydrophobicContact CE2-CB 4.4Å; F185-F199 HydrophobicContact CE2-CD2 4.36Å; F199-D201 HydrophobicContact CD1-CB 4.14Å; F199-D201 HydrophobicContact CE1-CB 4.25Å; F199-D201 PolarHBondContact O-N 3.19Å; F199-I242 HydrophobicContact CE2-CG2 4.16Å; F199-I242 HydrophobicContact CZ-CG2 4.23Å; F199-M246 HydrophobicContact CB-CG 4.47Å; F199-M246 HydrophobicContact CD1-CB 4.29Å; F199-M246 HydrophobicContact CD1-CE 3.76Å; F199-M246 HydrophobicContact CD1-CG 3.96Å; F199-M246 HydrophobicContact CD2-CB 3.99Å; F199-M246 HydrophobicContact CD2-CG 4.4Å; F199-M246 HydrophobicContact CE1-CB 4.29Å; F199-M246 HydrophobicContact CE1-CE 3.39Å; F199-M246 HydrophobicContact CE1-CG 4.27Å; F199-M246 HydrophobicContact CE2-CB 3.99Å; F199-M246 HydrophobicContact CG-CB 4.14Å; F199-M246 HydrophobicContact CG-CG 4.03Å; F199-M246 HydrophobicContact CZ-CB 4.13Å; F199-M246 HydrophobicContact CZ-CE 4.08Å; F199-A249 HydrophobicContact CB-CB 3.65Å; F199-I251 PolarHBondContact N-O 2.93Å; F199-I252 HydrophobicContact CB-CG1 4.5Å; F199-I252 CarbonylContact O-C 3.52Å; F199-I252 WeakPolarHBondContact O-CA 3.5Å; F199-V253 PolarHBondContact O-N 3.29Å
200	V	95.4	Very high	93.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	97.7	178.5	-178.6	0	0	0	0	109.7	I77 C78 S83 K85 V88 G256	I77-V200 HydrophobicContact CG2-CG2 3.67Å; C78-V200 PolarHBondContact O-N 2.89Å; S83-V200 VanDerWaalsContact CB-O 3.28Å; S83-V200 WeakPolarHBondContact CB-O 3.14Å; S83-V200 PolarHBondContact OG-O 2.95Å; S83-V200 VanDerWaalsContact OG-O 3.12Å; K85-V200 HydrophobicContact CG-CB 4.33Å; K85-V200 HydrophobicContact CG-CG2 4.44Å; V88-V200 HydrophobicContact CB-CG2 4.14Å; V88-V200 HydrophobicContact CG1-CG2 4.24Å; V88-V200 HydrophobicContact CG2-CG1 4.2Å; V88-V200 HydrophobicContact CG2-CG2 3.8Å; V200-G256 VanDerWaalsContact CG1-CA 3.5Å
201	D	94	Very high	93.1	Very high	53 Å²	53	40.9 Å²	40.9	28%	0.283	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	141	178.7	-168	26.8	0	0	0	111.9	F199 M246 I252 V253 P254 R255	F199-D201 HydrophobicContact CD1-CB 4.14Å; F199-D201 HydrophobicContact CE1-CB 4.25Å; F199-D201 PolarHBondContact O-N 3.19Å; D201-M246 HydrophobicContact CB-CE 4.16Å; D201-I252 HydrophobicContact CB-CG2 3.85Å; D201-V253 PolarHBondContact N-O 2.8Å; D201-P254 CarbonylContact O-C 3.6Å; D201-P254 WeakPolarHBondContact O-CA 3.43Å; D201-R255 PolarHBondContact O-N 2.97Å
202	T	92.5	Very high	93.1	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.018	22%	0.219	C	C	.	.			trans	-166.3	139.7	-173.9	-61.5	0	0	0	0	108.8	S83 E206 R207	S83-T202 PolarHBondContact O-OG1 3.2Å; S83-T202 VanDerWaalsContact O-OG1 3.05Å; T202-E206 HydrophobicContact CG2-CB 3.97Å; T202-R207 HydrophobicContact CG2-CG 3.97Å; T202-R207 PolarHBondContact O-NE 3.1Å
203	D	91.9	Very high	92.9	Very high	99 Å²	99	43.8 Å²	43.8	53%	0.529	22%	0.221	S	C	.	.			trans	-57.5	149.2	-176.5	-51.1	-73.5	0	0	0	112.8	D205 E206 R207	D203-D205 VanDerWaalsContact C-N 3.3Å; D203-D205 WeakPolarHBondContact CB-OD1 3.44Å; D203-D205 PolarHBondContact O-N 3.48Å; D203-E206 PolarHBondContact O-N 3.32Å; D203-R207 WeakPolarHBondContact O-CB 3.33Å; D203-R207 WeakPolarHBondContact O-CG 3.21Å; D203-R207 PolarHBondContact O-N 2.94Å
204	A	91	Very high	92.7	Very high	49 Å²	49	45.3 Å²	45.3	41%	0.405	23%	0.225	S	C	.	.	H	α-helix	trans	-68.2	-29.8	-169.1	0	0	0	0	0	113.3	L208	A204-L208 VanDerWaalsContact O-CB 3.26Å; A204-L208 WeakPolarHBondContact O-CB 3.49Å; A204-L208 PolarHBondContact O-N 3.03Å
205	D	92	Very high	92.3	Very high	114 Å²	114	44.8 Å²	44.8	61%	0.61	22%	0.223	S	C	*	.	H	α-helix	trans	-76.3	-40.9	174.7	63.9	-33.5	0	0	0	112.4	D203 R207 L208 S209	D203-D205 VanDerWaalsContact C-N 3.3Å; D203-D205 WeakPolarHBondContact CB-OD1 3.44Å; D203-D205 PolarHBondContact O-N 3.48Å; D205-R207 VanDerWaalsContact C-N 3.32Å; D205-R207 PolarHBondContact O-N 2.9Å; D205-L208 PolarHBondContact O-N 2.77Å; D205-S209 WeakPolarHBondContact O-CB 3.29Å; D205-S209 PolarHBondContact O-N 2.87Å; D205-S209 PolarHBondContact O-OG 2.73Å
206	E	91.5	Very high	92.1	Very high	44 Å²	44	45 Å²	45	21%	0.206	22%	0.223	C	C	.	.	H	α-helix	trans	-65.6	-38.1	171.9	-148.8	-160	166	0	0	110.5	T202 D203 S209 R210 K258	T202-E206 HydrophobicContact CG2-CB 3.97Å; D203-E206 PolarHBondContact O-N 3.32Å; E206-S209 WeakPolarHBondContact CA-OG 3.45Å; E206-S209 PolarHBondContact O-OG 3Å; E206-S209 VanDerWaalsContact O-OG 3.14Å; E206-R210 VanDerWaalsContact CD-CZ 3.48Å; E206-R210 VanDerWaalsContact CD-NE 3.29Å; E206-R210 VanDerWaalsContact O-CB 3.27Å; E206-R210 WeakPolarHBondContact O-CB 3.28Å; E206-R210 VanDerWaalsContact O-CD 3.26Å; E206-R210 WeakPolarHBondContact O-CD 3.42Å; E206-R210 WeakPolarHBondContact O-CG 3.21Å; E206-R210 PolarHBondContact O-N 3.49Å; E206-R210 VanDerWaalsContact O-N 3.08Å; E206-R210 IonicContact OE1-CZ 3.29Å; E206-R210 VanDerWaalsContact OE1-CZ 3.3Å; E206-R210 IonicContact OE1-NE 3.57Å; E206-R210 PolarHBondContact OE1-NE 2.99Å; E206-R210 IonicContact OE1-NH2 3.05Å; E206-R210 PolarHBondContact OE1-NH2 3.34Å; E206-R210 IonicContact OE2-CZ 3.77Å; E206-R210 IonicContact OE2-NE 2.72Å; E206-R210 IonicContact OE2-NH2 2.7Å; E206-R210 PolarHBondContact OE2-NH2 2.97Å; E206-K258 IonicContact OE1-NZ 2.75Å; E206-K258 PolarHBondContact OE1-NZ 3.48Å; E206-K258 IonicContact OE2-NZ 3.4Å
207	R	92.8	Very high	91.7	Very high	18 Å²	18	48.6 Å²	48.6	7%	0.068	25%	0.249	C	C	.	.	H	α-helix	trans	-62.4	-47.1	171.1	-77	-172.7	-75	120.3	-12.7	112.5	S81 A82 T202 D203 D205 R211	S81-R207 WeakPolarHBondContact O-CB 3.49Å; S81-R207 WeakPolarHBondContact O-CD 3.42Å; S81-R207 WeakPolarHBondContact O-CG 3.46Å; A82-R207 WeakPolarHBondContact CB-O 3.37Å; T202-R207 HydrophobicContact CG2-CG 3.97Å; T202-R207 PolarHBondContact O-NE 3.1Å; D203-R207 WeakPolarHBondContact O-CB 3.33Å; D203-R207 WeakPolarHBondContact O-CG 3.21Å; D203-R207 PolarHBondContact O-N 2.94Å; D205-R207 VanDerWaalsContact C-N 3.32Å; D205-R207 PolarHBondContact O-N 2.9Å; R207-R211 WeakPolarHBondContact O-CB 3.41Å; R207-R211 PolarHBondContact O-N 3.21Å
208	L	92.9	Very high	91	Very high	35 Å²	35	53.9 Å²	53.9	18%	0.183	28%	0.275	C	S	.	.	H	α-helix	trans	-63.3	-51.2	-179.8	176.2	56.4	0	0	0	111.5	A204 D205 R210 R211 L212 L227 Y230	A204-L208 VanDerWaalsContact O-CB 3.26Å; A204-L208 WeakPolarHBondContact O-CB 3.49Å; A204-L208 PolarHBondContact O-N 3.03Å; D205-L208 PolarHBondContact O-N 2.77Å; L208-R210 PolarHBondContact O-N 2.65Å; L208-R211 PolarHBondContact O-N 2.69Å; L208-R211 VanDerWaalsContact O-N 3.11Å; L208-L212 HydrophobicContact CD1-CD1 3.87Å; L208-L212 HydrophobicContact CD1-CD2 4.46Å; L208-L212 HydrophobicContact CD1-CG 3.9Å; L208-L212 HydrophobicContact CG-CD1 3.85Å; L208-L212 HydrophobicContact CG-CG 4.35Å; L208-L212 WeakPolarHBondContact O-CB 3.26Å; L208-L212 VanDerWaalsContact O-CG 3.31Å; L208-L212 WeakPolarHBondContact O-CG 3.44Å; L208-L212 PolarHBondContact O-N 3.23Å; L208-L227 HydrophobicContact CD1-CD2 4.38Å; L208-Y230 HydrophobicContact CB-CE2 4.42Å; L208-Y230 HydrophobicContact CD1-CD1 3.76Å; L208-Y230 HydrophobicContact CD1-CD2 3.82Å; L208-Y230 HydrophobicContact CD1-CE1 3.98Å; L208-Y230 HydrophobicContact CD1-CE2 4.05Å; L208-Y230 HydrophobicContact CD1-CG 3.66Å; L208-Y230 HydrophobicContact CD2-CD1 4.32Å; L208-Y230 HydrophobicContact CD2-CE1 4.04Å; L208-Y230 HydrophobicContact CG-CE1 4.41Å
209	S	92.5	Very high	90.3	Very high	66 Å²	66	58.1 Å²	58.1	46%	0.462	29%	0.291	S	S	.	.	H	α-helix	trans	-60.6	-41.4	179.5	55.2	0	0	0	0	112.8	D205 E206 R213	D205-S209 WeakPolarHBondContact O-CB 3.29Å; D205-S209 PolarHBondContact O-N 2.87Å; D205-S209 PolarHBondContact O-OG 2.73Å; E206-S209 WeakPolarHBondContact CA-OG 3.45Å; E206-S209 PolarHBondContact O-OG 3Å; E206-S209 VanDerWaalsContact O-OG 3.14Å; S209-R213 WeakPolarHBondContact O-CB 3.34Å; S209-R213 PolarHBondContact O-N 3.37Å
210	R	91.4	Very high	89.5	Confident	60 Å²	60	61.5 Å²	61.5	23%	0.226	33%	0.325	C	S	.	.	H	α-helix	trans	-63.3	-42.6	171.6	-69.2	168.3	-177.5	-173	6.1	112.3	A82 S83 E206 L208 R214	A82-R210 HydrophobicContact CB-CB 3.78Å; A82-R210 WeakPolarHBondContact O-CD 3.43Å; A82-R210 PolarHBondContact O-NH1 3.49Å; S83-R210 PolarHBondContact O-NH1 2.95Å; E206-R210 VanDerWaalsContact CD-CZ 3.48Å; E206-R210 VanDerWaalsContact CD-NE 3.29Å; E206-R210 VanDerWaalsContact O-CB 3.27Å; E206-R210 WeakPolarHBondContact O-CB 3.28Å; E206-R210 VanDerWaalsContact O-CD 3.26Å; E206-R210 WeakPolarHBondContact O-CD 3.42Å; E206-R210 WeakPolarHBondContact O-CG 3.21Å; E206-R210 PolarHBondContact O-N 3.49Å; E206-R210 VanDerWaalsContact O-N 3.08Å; E206-R210 IonicContact OE1-CZ 3.29Å; E206-R210 VanDerWaalsContact OE1-CZ 3.3Å; E206-R210 IonicContact OE1-NE 3.57Å; E206-R210 PolarHBondContact OE1-NE 2.99Å; E206-R210 IonicContact OE1-NH2 3.05Å; E206-R210 PolarHBondContact OE1-NH2 3.34Å; E206-R210 IonicContact OE2-CZ 3.77Å; E206-R210 IonicContact OE2-NE 2.72Å; E206-R210 IonicContact OE2-NH2 2.7Å; E206-R210 PolarHBondContact OE2-NH2 2.97Å; L208-R210 PolarHBondContact O-N 2.65Å; R210-R214 WeakPolarHBondContact O-CB 3.46Å; R210-R214 PolarHBondContact O-N 3Å
211	R	90.2	Very high	88.9	Confident	15 Å²	15	64.3 Å²	64.3	6%	0.057	34%	0.336	C	S	.	.	H	α-helix	trans	-65.9	-43	177.9	-176.9	164.9	-178.1	163.4	-14.4	111.7	S81 A82 D129 R207 L208 R214 D215 V234	S81-R211 PolarHBondContact OG-NH1 3.22Å; A82-R211 HydrophobicContact CB-CB 4.04Å; D129-R211 IonicContact OD1-NH1 3.83Å; D129-R211 PolarHBondContact OD1-NH1 2.86Å; D129-R211 IonicContact OD2-NH1 2.84Å; D129-R211 PolarHBondContact OD2-NH1 3.11Å; D129-R211 IonicContact OD2-NH2 3.71Å; R207-R211 WeakPolarHBondContact O-CB 3.41Å; R207-R211 PolarHBondContact O-N 3.21Å; L208-R211 PolarHBondContact O-N 2.69Å; L208-R211 VanDerWaalsContact O-N 3.11Å; R211-R214 PolarHBondContact O-N 3.04Å; R211-D215 WeakPolarHBondContact CG-OD2 3.42Å; R211-D215 IonicContact CZ-OD2 3.55Å; R211-D215 IonicContact NE-OD2 2.68Å; R211-D215 PolarHBondContact NE-OD2 2.72Å; R211-D215 WeakPolarHBondContact O-CB 3.41Å; R211-D215 PolarHBondContact O-N 2.85Å; R211-V234 VanDerWaalsContact CZ-CG2 3.41Å; R211-V234 VanDerWaalsContact NH1-CG1 3.3Å
212	L	91.7	Very high	88.5	Confident	30 Å²	30	69 Å²	69	16%	0.157	36%	0.356	C	S	.	.	H	α-helix	trans	-58.2	-52.8	175.1	-72.4	168.1	0	0	0	110.9	L208 R214 D215 I216 L223 V226 L227	L208-L212 HydrophobicContact CD1-CD1 3.87Å; L208-L212 HydrophobicContact CD1-CD2 4.46Å; L208-L212 HydrophobicContact CD1-CG 3.9Å; L208-L212 HydrophobicContact CG-CD1 3.85Å; L208-L212 HydrophobicContact CG-CG 4.35Å; L208-L212 WeakPolarHBondContact O-CB 3.26Å; L208-L212 VanDerWaalsContact O-CG 3.31Å; L208-L212 WeakPolarHBondContact O-CG 3.44Å; L208-L212 PolarHBondContact O-N 3.23Å; L212-R214 PolarHBondContact O-N 3.16Å; L212-D215 PolarHBondContact O-N 3.26Å; L212-I216 HydrophobicContact CB-CD1 4.44Å; L212-I216 VanDerWaalsContact O-CB 3.29Å; L212-I216 WeakPolarHBondContact O-CB 3.42Å; L212-I216 WeakPolarHBondContact O-CD1 3.32Å; L212-I216 WeakPolarHBondContact O-CG1 3.47Å; L212-I216 PolarHBondContact O-N 3.44Å; L212-L223 HydrophobicContact CD2-CD1 3.83Å; L212-V226 HydrophobicContact CD2-CB 4.09Å; L212-V226 HydrophobicContact CD2-CG1 3.74Å; L212-L227 HydrophobicContact CD1-CD2 4.16Å; L212-L227 HydrophobicContact CD2-CD2 3.9Å; L212-L227 HydrophobicContact CD2-CG 4.04Å
213	R	90.9	Very high	88.3	Confident	194 Å²	194	72.7 Å²	72.7	73%	0.732	38%	0.375	S	S	*	.	H	α-helix	trans	-54.4	-52.1	177.2	-177.2	175.6	176.9	170.7	0	111.4	S209 S217	S209-R213 WeakPolarHBondContact O-CB 3.34Å; S209-R213 PolarHBondContact O-N 3.37Å; R213-S217 WeakPolarHBondContact O-CB 3.28Å; R213-S217 PolarHBondContact O-N 3.13Å; R213-S217 PolarHBondContact O-OG 3.08Å
214	R	87.2	Confident	88.3	Confident	52 Å²	52	73.1 Å²	73.1	20%	0.196	38%	0.378	C	S	.	.	H	α-helix	trans	-59.4	-55.6	179.7	-173.8	-160.9	65.7	-167.8	-6.8	112.3	R210 R211 L212 I216 E218 R219	R210-R214 WeakPolarHBondContact O-CB 3.46Å; R210-R214 PolarHBondContact O-N 3Å; R211-R214 PolarHBondContact O-N 3.04Å; L212-R214 PolarHBondContact O-N 3.16Å; R214-I216 VanDerWaalsContact C-N 3.29Å; R214-I216 PolarHBondContact O-N 3.46Å; R214-E218 HydrophobicContact CG-CG 4.48Å; R214-E218 WeakPolarHBondContact CG-OE2 3.39Å; R214-E218 WeakPolarHBondContact O-CA 3.37Å; R214-E218 VanDerWaalsContact O-CB 3.28Å; R214-E218 WeakPolarHBondContact O-CB 3.37Å; R214-E218 PolarHBondContact O-N 3.23Å; R214-R219 VanDerWaalsContact NH2-NH1 3.19Å; R214-R219 PolarHBondContact O-N 3.36Å
215	D	85.6	Confident	88	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-70.2	-27	-171.8	-69.1	-18.8	0	0	0	111.9	R211 L212 R219 G220 R221 V226	R211-D215 WeakPolarHBondContact CG-OD2 3.42Å; R211-D215 IonicContact CZ-OD2 3.55Å; R211-D215 IonicContact NE-OD2 2.68Å; R211-D215 PolarHBondContact NE-OD2 2.72Å; R211-D215 WeakPolarHBondContact O-CB 3.41Å; R211-D215 PolarHBondContact O-N 2.85Å; L212-D215 PolarHBondContact O-N 3.26Å; D215-R219 CarbonylContact O-C 3.52Å; D215-R219 WeakPolarHBondContact O-CB 3.46Å; D215-R219 VanDerWaalsContact OD1-CD 3.26Å; D215-R219 WeakPolarHBondContact OD1-CD 3.33Å; D215-R219 IonicContact OD1-CZ 2.67Å; D215-R219 IonicContact OD1-NE 2.68Å; D215-R219 IonicContact OD1-NH1 2.65Å; D215-R219 PolarHBondContact OD1-NH1 3.03Å; D215-G220 PolarHBondContact O-N 2.94Å; D215-R221 WeakPolarHBondContact O-CB 3.04Å; D215-R221 PolarHBondContact O-N 3.2Å; D215-R221 VanDerWaalsContact O-N 3.1Å; D215-V226 HydrophobicContact CB-CG1 4.14Å; D215-V226 HydrophobicContact CB-CG2 3.88Å
216	I	89	Confident	87.7	Confident	68 Å²	68	66.9 Å²	66.9	35%	0.349	34%	0.34	S	S	.	.	H	α-helix	trans	-77.2	-62.6	170.5	-60.7	166	0	0	0	110.6	L212 R214 G220 R221 L223	L212-I216 HydrophobicContact CB-CD1 4.44Å; L212-I216 VanDerWaalsContact O-CB 3.29Å; L212-I216 WeakPolarHBondContact O-CB 3.42Å; L212-I216 WeakPolarHBondContact O-CD1 3.32Å; L212-I216 WeakPolarHBondContact O-CG1 3.47Å; L212-I216 PolarHBondContact O-N 3.44Å; R214-I216 VanDerWaalsContact C-N 3.29Å; R214-I216 PolarHBondContact O-N 3.46Å; I216-G220 VanDerWaalsContact O-CA 3.3Å; I216-G220 WeakPolarHBondContact O-CA 3.2Å; I216-G220 PolarHBondContact O-N 3.27Å; I216-R221 WeakPolarHBondContact CG1-O 3.39Å; I216-L223 HydrophobicContact CD1-CB 4.31Å; I216-L223 HydrophobicContact CD1-CD1 3.98Å
217	S	86.7	Confident	87.7	Confident	87 Å²	87	67.3 Å²	67.3	61%	0.608	34%	0.344	S	S	*	.	H	α-helix	trans	-80.4	-27.3	-167.5	70.5	0	0	0	0	115.5	R213	R213-S217 WeakPolarHBondContact O-CB 3.28Å; R213-S217 PolarHBondContact O-N 3.13Å; R213-S217 PolarHBondContact O-OG 3.08Å
218	E	80.5	Confident	87.5	Confident	145 Å²	145	72.8 Å²	72.8	68%	0.678	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-23.2	-179	-56.7	169.9	-149	0	0	112.6	R214	R214-E218 HydrophobicContact CG-CG 4.48Å; R214-E218 WeakPolarHBondContact CG-OE2 3.39Å; R214-E218 WeakPolarHBondContact O-CA 3.37Å; R214-E218 VanDerWaalsContact O-CB 3.28Å; R214-E218 WeakPolarHBondContact O-CB 3.37Å; R214-E218 PolarHBondContact O-N 3.23Å
219	R	79.4	Confident	87.2	Confident	89 Å²	89	71.3 Å²	71.3	34%	0.336	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-5.3	-173.9	-67	168.8	165.5	-174.9	-10.8	114.5	R214 D215	R214-R219 VanDerWaalsContact NH2-NH1 3.19Å; R214-R219 PolarHBondContact O-N 3.36Å; D215-R219 CarbonylContact O-C 3.52Å; D215-R219 WeakPolarHBondContact O-CB 3.46Å; D215-R219 VanDerWaalsContact OD1-CD 3.26Å; D215-R219 WeakPolarHBondContact OD1-CD 3.33Å; D215-R219 IonicContact OD1-CZ 2.67Å; D215-R219 IonicContact OD1-NE 2.68Å; D215-R219 IonicContact OD1-NH1 2.65Å; D215-R219 PolarHBondContact OD1-NH1 3.03Å
220	G	81.1	Confident	87.1	Confident	71 Å²	71	69 Å²	69	73%	0.732	34%	0.343	S	S	*	.			trans	67.7	36.7	172.7	0	0	0	0	0	114.3	D215 I216	D215-G220 PolarHBondContact O-N 2.94Å; I216-G220 VanDerWaalsContact O-CA 3.3Å; I216-G220 WeakPolarHBondContact O-CA 3.2Å; I216-G220 PolarHBondContact O-N 3.27Å
221	R	81.3	Confident	87.1	Confident	58 Å²	58	71.6 Å²	71.6	22%	0.219	36%	0.359	C	S	.	.			trans	-99.8	147.8	179.3	-65.9	178.3	149.7	-142.8	-7	112.5	D215 I216 V226	D215-R221 WeakPolarHBondContact O-CB 3.04Å; D215-R221 PolarHBondContact O-N 3.2Å; D215-R221 VanDerWaalsContact O-N 3.1Å; I216-R221 WeakPolarHBondContact CG1-O 3.39Å; R221-V226 HydrophobicContact CB-CG2 3.73Å
222	E	86.6	Confident	87.2	Confident	151 Å²	151	77.2 Å²	77.2	71%	0.706	38%	0.38	S	S	*	.			trans	-69.5	142.7	176.2	-75.1	-57.5	150.6	0	0	113.4	N224 S225 V226	E222-N224 PolarHBondContact O-N 3.45Å; E222-S225 WeakPolarHBondContact O-CB 3.33Å; E222-S225 PolarHBondContact O-N 2.84Å; E222-V226 WeakPolarHBondContact O-CG2 3.26Å; E222-V226 PolarHBondContact O-N 3.41Å; E222-V226 VanDerWaalsContact O-N 3.09Å
223	L	89.3	Confident	87.2	Confident	81 Å²	81	77 Å²	77	42%	0.424	38%	0.379	S	S	.	.	H	α-helix	trans	-54.4	-49.7	-177	173.3	59	0	0	0	112.2	L212 I216 S225 V226 L227	L212-L223 HydrophobicContact CD2-CD1 3.83Å; I216-L223 HydrophobicContact CD1-CB 4.31Å; I216-L223 HydrophobicContact CD1-CD1 3.98Å; L223-S225 PolarHBondContact O-N 3.5Å; L223-V226 PolarHBondContact O-N 2.88Å; L223-L227 HydrophobicContact CD1-CD1 3.83Å; L223-L227 HydrophobicContact CD1-CG 4.14Å; L223-L227 HydrophobicContact CG-CD1 4.01Å; L223-L227 WeakPolarHBondContact O-CG 3.26Å; L223-L227 PolarHBondContact O-N 3.4Å
224	N	89.8	Confident	87.2	Confident	109 Å²	109	68 Å²	68	58%	0.583	35%	0.345	S	S	*	.	H	α-helix	trans	-64.5	-42.2	-177.7	-64.9	-10.3	0	0	0	111.4	E222 V226 L227 E228	E222-N224 PolarHBondContact O-N 3.45Å; N224-V226 VanDerWaalsContact C-N 3.34Å; N224-V226 PolarHBondContact O-N 3.35Å; N224-L227 PolarHBondContact O-N 2.75Å; N224-E228 WeakPolarHBondContact O-CB 3.36Å; N224-E228 WeakPolarHBondContact O-CG 3.31Å; N224-E228 PolarHBondContact O-N 3.47Å
225	S	85.6	Confident	87.4	Confident	30 Å²	30	69.9 Å²	69.9	21%	0.21	36%	0.355	C	S	.	.	H	α-helix	trans	-58.9	-42.7	175.8	171.1	0	0	0	0	112.2	C124 E222 L223 Q229	C124-S225 PolarHBondContact SG-OG 2.83Å; C124-S225 VanDerWaalsContact SG-OG 3.33Å; E222-S225 WeakPolarHBondContact O-CB 3.33Å; E222-S225 PolarHBondContact O-N 2.84Å; L223-S225 PolarHBondContact O-N 3.5Å; S225-Q229 WeakPolarHBondContact O-CB 3.47Å; S225-Q229 PolarHBondContact O-N 3.33Å
226	V	86.8	Confident	87.8	Confident	1 Å²	1	72.3 Å²	72.3	1%	0.006	37%	0.37	C	S	.	.	H	α-helix	trans	-69.4	-38.1	177.6	-177.5	0	0	0	0	111.5	L212 D215 R221 E222 L223 N224 Y230	L212-V226 HydrophobicContact CD2-CB 4.09Å; L212-V226 HydrophobicContact CD2-CG1 3.74Å; D215-V226 HydrophobicContact CB-CG1 4.14Å; D215-V226 HydrophobicContact CB-CG2 3.88Å; R221-V226 HydrophobicContact CB-CG2 3.73Å; E222-V226 WeakPolarHBondContact O-CG2 3.26Å; E222-V226 PolarHBondContact O-N 3.41Å; E222-V226 VanDerWaalsContact O-N 3.09Å; L223-V226 PolarHBondContact O-N 2.88Å; N224-V226 VanDerWaalsContact C-N 3.34Å; N224-V226 PolarHBondContact O-N 3.35Å; V226-Y230 VanDerWaalsContact O-CB 3.26Å; V226-Y230 WeakPolarHBondContact O-CB 3.4Å; V226-Y230 PolarHBondContact O-N 3.24Å
227	L	90.7	Very high	88	Confident	54 Å²	54	69.2 Å²	69.2	28%	0.283	36%	0.355	S	S	.	.	H	α-helix	trans	-67.8	-45	176.4	-72.8	172.1	0	0	0	112.6	L208 L212 L223 N224 Y230 M231	L208-L227 HydrophobicContact CD1-CD2 4.38Å; L212-L227 HydrophobicContact CD1-CD2 4.16Å; L212-L227 HydrophobicContact CD2-CD2 3.9Å; L212-L227 HydrophobicContact CD2-CG 4.04Å; L223-L227 HydrophobicContact CD1-CD1 3.83Å; L223-L227 HydrophobicContact CD1-CG 4.14Å; L223-L227 HydrophobicContact CG-CD1 4.01Å; L223-L227 WeakPolarHBondContact O-CG 3.26Å; L223-L227 PolarHBondContact O-N 3.4Å; N224-L227 PolarHBondContact O-N 2.75Å; L227-Y230 WeakPolarHBondContact O-CB 3.37Å; L227-Y230 PolarHBondContact O-N 3.07Å; L227-M231 WeakPolarHBondContact O-CG 3.43Å; L227-M231 PolarHBondContact O-N 3.45Å
228	E	89.2	Confident	88.4	Confident	132 Å²	132	66.3 Å²	66.3	62%	0.617	33%	0.331	S	S	*	.	H	α-helix	trans	-61.2	-47.8	175.3	-75	173.3	-151.5	0	0	111.2	N224 Y230 M231 R232	N224-E228 WeakPolarHBondContact O-CB 3.36Å; N224-E228 WeakPolarHBondContact O-CG 3.31Å; N224-E228 PolarHBondContact O-N 3.47Å; E228-Y230 VanDerWaalsContact C-N 3.26Å; E228-Y230 PolarHBondContact O-N 3.03Å; E228-M231 PolarHBondContact O-N 2.92Å; E228-R232 WeakPolarHBondContact O-CB 3.43Å; E228-R232 PolarHBondContact O-N 2.8Å
229	Q	86.8	Confident	89	Confident	5 Å²	5	64.5 Å²	64.5	2%	0.023	32%	0.322	C	S	.	.	H	α-helix	trans	-61.1	-38.2	175.2	-162.6	-173.4	13.8	0	0	111.2	S225 F233 V234	S225-Q229 WeakPolarHBondContact O-CB 3.47Å; S225-Q229 PolarHBondContact O-N 3.33Å; Q229-F233 HydrophobicContact CG-CD2 4.13Å; Q229-F233 PolarHBondContact O-N 3.45Å; Q229-V234 PolarHBondContact O-N 2.84Å
230	Y	90.6	Very high	89.7	Confident	16 Å²	16	66.5 Å²	66.5	6%	0.063	34%	0.335	C	S	.	.	I	π-helix	trans	-62.4	-50.4	178.1	-178.5	-97	0	0	0	112.5	L208 V226 L227 E228 V234 K235	L208-Y230 HydrophobicContact CB-CE2 4.42Å; L208-Y230 HydrophobicContact CD1-CD1 3.76Å; L208-Y230 HydrophobicContact CD1-CD2 3.82Å; L208-Y230 HydrophobicContact CD1-CE1 3.98Å; L208-Y230 HydrophobicContact CD1-CE2 4.05Å; L208-Y230 HydrophobicContact CD1-CG 3.66Å; L208-Y230 HydrophobicContact CD2-CD1 4.32Å; L208-Y230 HydrophobicContact CD2-CE1 4.04Å; L208-Y230 HydrophobicContact CG-CE1 4.41Å; V226-Y230 VanDerWaalsContact O-CB 3.26Å; V226-Y230 WeakPolarHBondContact O-CB 3.4Å; V226-Y230 PolarHBondContact O-N 3.24Å; L227-Y230 WeakPolarHBondContact O-CB 3.37Å; L227-Y230 PolarHBondContact O-N 3.07Å; E228-Y230 VanDerWaalsContact C-N 3.26Å; E228-Y230 PolarHBondContact O-N 3.03Å; Y230-V234 HydrophobicContact CD2-CB 3.68Å; Y230-V234 HydrophobicContact CD2-CG1 3.77Å; Y230-V234 HydrophobicContact CD2-CG2 4.26Å; Y230-V234 HydrophobicContact CE2-CB 4.23Å; Y230-V234 HydrophobicContact CE2-CG1 3.96Å; Y230-V234 HydrophobicContact CG-CB 4.33Å; Y230-V234 PolarHBondContact O-N 3.04Å; Y230-K235 HydrophobicContact CE1-CB 4.11Å; Y230-K235 PolarHBondContact O-N 3.03Å
231	M	91.3	Very high	90.3	Very high	115 Å²	115	64.2 Å²	64.2	57%	0.567	31%	0.305	S	S	*	.	I	π-helix	trans	-69.1	-40	-179.5	-64.4	-59.8	-174.5	0	0	112.2	L227 E228 P236	L227-M231 WeakPolarHBondContact O-CG 3.43Å; L227-M231 PolarHBondContact O-N 3.45Å; E228-M231 PolarHBondContact O-N 2.92Å; M231-P236 WeakPolarHBondContact O-CD 3.35Å
232	R	91.2	Very high	90.9	Very high	133 Å²	133	61.5 Å²	61.5	50%	0.502	30%	0.295	S	S	.	.	I	π-helix	trans	-76	-34.3	-175.6	-173.6	174.5	177	165.5	-3.8	113.7	H125 E228	H125-R232 PolarHBondContact CD2-NH1 3.43Å; H125-R232 PolarHBondContact CD2-NH2 3.39Å; H125-R232 PolarHBondContact CE1-NH1 3.35Å; H125-R232 PolarHBondContact ND1-NH1 2.98Å; H125-R232 PolarHBondContact NE2-NH1 3.49Å; E228-R232 WeakPolarHBondContact O-CB 3.43Å; E228-R232 PolarHBondContact O-N 2.8Å
233	F	91.7	Very high	91.2	Very high	27 Å²	27	56 Å²	56	12%	0.118	28%	0.275	C	S	.	.	I	π-helix	trans	-130.9	-48.1	-170.3	-64.2	-53.3	0	0	0	114.4	C124 H125 N127 Q229 S237	C124-F233 WeakPolarHBondContact O-CE2 3.49Å; H125-F233 WeakPolarHBondContact O-CZ 3.35Å; N127-F233 HydrophobicContact CB-CB 4.37Å; N127-F233 HydrophobicContact CB-CD1 3.55Å; N127-F233 HydrophobicContact CB-CE1 3.9Å; N127-F233 HydrophobicContact CB-CG 3.95Å; Q229-F233 HydrophobicContact CG-CD2 4.13Å; Q229-F233 PolarHBondContact O-N 3.45Å; F233-S237 WeakPolarHBondContact O-CB 3.49Å; F233-S237 PolarHBondContact O-N 2.85Å; F233-S237 PolarHBondContact O-OG 3.18Å
234	V	90.7	Very high	91.4	Very high	5 Å²	5	55.8 Å²	55.8	3%	0.03	28%	0.279	C	S	.	.	I	π-helix	trans	-69	-47.8	-169.6	-173	0	0	0	0	111.9	R211 Q229 Y230 Y238	R211-V234 VanDerWaalsContact CZ-CG2 3.41Å; R211-V234 VanDerWaalsContact NH1-CG1 3.3Å; Q229-V234 PolarHBondContact O-N 2.84Å; Y230-V234 HydrophobicContact CD2-CB 3.68Å; Y230-V234 HydrophobicContact CD2-CG1 3.77Å; Y230-V234 HydrophobicContact CD2-CG2 4.26Å; Y230-V234 HydrophobicContact CE2-CB 4.23Å; Y230-V234 HydrophobicContact CE2-CG1 3.96Å; Y230-V234 HydrophobicContact CG-CB 4.33Å; Y230-V234 PolarHBondContact O-N 3.04Å; V234-Y238 WeakPolarHBondContact O-CB 3.44Å; V234-Y238 PolarHBondContact O-N 2.79Å
235	K	92.4	Very high	91.6	Very high	91 Å²	91	51 Å²	51	40%	0.396	25%	0.254	S	S	.	.	H	α-helix	trans	-65.6	-52	178.3	174.1	-175	174.8	-170.7	0	111.4	Y230 S237 Y238 E239	Y230-K235 HydrophobicContact CE1-CB 4.11Å; Y230-K235 PolarHBondContact O-N 3.03Å; K235-S237 VanDerWaalsContact C-N 3.34Å; K235-S237 PolarHBondContact O-N 3.1Å; K235-Y238 WeakPolarHBondContact O-CB 3.39Å; K235-Y238 PolarHBondContact O-N 3.27Å; K235-Y238 VanDerWaalsContact O-N 3.15Å; K235-E239 WeakPolarHBondContact CE-OE1 3.04Å; K235-E239 IonicContact NZ-OE1 3.01Å; K235-E239 WeakPolarHBondContact O-CG 3.43Å; K235-E239 PolarHBondContact O-N 3.49Å
236	P	94.1	Very high	92	Very high	51 Å²	51	52 Å²	52	33%	0.331	26%	0.256	S	S	.	.	H	α-helix	trans	-57.1	-42.3	175.9	-27.9	36.1	0	0	0	113.6	M231 Y238 E239 Q240	M231-P236 WeakPolarHBondContact O-CD 3.35Å; P236-Y238 VanDerWaalsContact C-N 3.33Å; P236-Y238 PolarHBondContact O-N 3.24Å; P236-E239 PolarHBondContact O-N 3.2Å; P236-Q240 VanDerWaalsContact O-CB 3.24Å; P236-Q240 WeakPolarHBondContact O-CB 3.41Å; P236-Q240 PolarHBondContact O-N 3.09Å
237	S	93.4	Very high	92.3	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.014	30%	0.295	C	S	.	.	H	α-helix	trans	-70	-31.2	179.6	-49.7	0	0	0	0	112.3	N127 D129 F233 K235 F241 I242	N127-S237 PolarHBondContact ND2-OG 2.82Å; N127-S237 PolarHBondContact OD1-OG 3.4Å; D129-S237 WeakPolarHBondContact O-CB 3.17Å; F233-S237 WeakPolarHBondContact O-CB 3.49Å; F233-S237 PolarHBondContact O-N 2.85Å; F233-S237 PolarHBondContact O-OG 3.18Å; K235-S237 VanDerWaalsContact C-N 3.34Å; K235-S237 PolarHBondContact O-N 3.1Å; S237-F241 WeakPolarHBondContact O-CB 3.44Å; S237-F241 WeakPolarHBondContact O-CD2 3.23Å; S237-F241 PolarHBondContact O-N 3.16Å; S237-I242 PolarHBondContact O-N 3.25Å
238	Y	94.2	Very high	92.3	Very high	27 Å²	27	57.7 Å²	57.7	11%	0.106	30%	0.298	C	S	.	.	I	π-helix	trans	-62.7	-48.3	169.9	-180	-97.3	0	0	0	111.6	V234 K235 P236 I242 A243	V234-Y238 WeakPolarHBondContact O-CB 3.44Å; V234-Y238 PolarHBondContact O-N 2.79Å; K235-Y238 WeakPolarHBondContact O-CB 3.39Å; K235-Y238 PolarHBondContact O-N 3.27Å; K235-Y238 VanDerWaalsContact O-N 3.15Å; P236-Y238 VanDerWaalsContact C-N 3.33Å; P236-Y238 PolarHBondContact O-N 3.24Å; Y238-I242 HydrophobicContact CD2-CB 3.67Å; Y238-I242 HydrophobicContact CD2-CD1 4.01Å; Y238-I242 HydrophobicContact CD2-CG1 4.36Å; Y238-I242 HydrophobicContact CD2-CG2 3.76Å; Y238-I242 HydrophobicContact CE2-CB 4.13Å; Y238-I242 HydrophobicContact CE2-CG2 3.8Å; Y238-I242 HydrophobicContact CG-CB 4.37Å; Y238-I242 PolarHBondContact O-N 3.33Å; Y238-I242 VanDerWaalsContact O-N 3.15Å; Y238-A243 HydrophobicContact CD1-CB 4.3Å; Y238-A243 HydrophobicContact CE1-CB 3.87Å; Y238-A243 WeakPolarHBondContact O-CB 3.36Å; Y238-A243 PolarHBondContact O-N 3.22Å
239	E	93.6	Very high	92.5	Very high	107 Å²	107	52.5 Å²	52.5	50%	0.5	28%	0.278	S	S	.	.	I	π-helix	trans	-68.6	-36.9	-177.9	-69.3	166.7	167.6	0	0	112.1	K235 P236	K235-E239 WeakPolarHBondContact CE-OE1 3.04Å; K235-E239 IonicContact NZ-OE1 3.01Å; K235-E239 WeakPolarHBondContact O-CG 3.43Å; K235-E239 PolarHBondContact O-N 3.49Å; P236-E239 PolarHBondContact O-N 3.2Å
240	Q	93.7	Very high	92.9	Very high	130 Å²	130	56.4 Å²	56.4	61%	0.607	30%	0.299	S	S	*	.	I	π-helix	trans	-82.8	-37.4	-177.3	-171.6	177	6.2	0	0	114.3	P236	P236-Q240 VanDerWaalsContact O-CB 3.24Å; P236-Q240 WeakPolarHBondContact O-CB 3.41Å; P236-Q240 PolarHBondContact O-N 3.09Å
241	F	92.9	Very high	93	Very high	23 Å²	23	58.5 Å²	58.5	10%	0.101	31%	0.31	C	S	.	.	I	π-helix	trans	-122.7	-34.3	-169.4	-52.3	-70.3	0	0	0	114.6	H130 P131 L183 Y186 S237	H130-F241 AromaticContact CD2-CE2 3.48Å; H130-F241 VanDerWaalsContact CD2-CE2 3.48Å; H130-F241 WeakPolarHBondContact CD2-CE2 3.34Å; H130-F241 AromaticContact CD2-CZ 3.45Å; H130-F241 VanDerWaalsContact CD2-CZ 3.45Å; H130-F241 WeakPolarHBondContact CD2-CZ 3.38Å; H130-F241 AromaticContact NE2-CZ 3.6Å; P131-F241 HydrophobicContact CG-CB 4.49Å; P131-F241 HydrophobicContact CG-CD1 3.86Å; P131-F241 HydrophobicContact CG-CD2 4.42Å; P131-F241 HydrophobicContact CG-CE1 4.12Å; P131-F241 HydrophobicContact CG-CG 4Å; L183-F241 HydrophobicContact CD2-CB 3.55Å; Y186-F241 HydrophobicContact CD2-CB 4.38Å; Y186-F241 HydrophobicContact CD2-CD1 4.32Å; Y186-F241 AromaticContact CE2-CD1 3.78Å; Y186-F241 HydrophobicContact CE2-CD1 3.78Å; Y186-F241 HydrophobicContact CE2-CE1 4.45Å; S237-F241 WeakPolarHBondContact O-CB 3.44Å; S237-F241 WeakPolarHBondContact O-CD2 3.23Å; S237-F241 PolarHBondContact O-N 3.16Å
242	I	94	Very high	93.2	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.01	30%	0.303	C	S	.	.	I	π-helix	trans	-88.7	-53.2	-172.1	-51.6	177.7	0	0	0	110.9	I182 L183 F199 S237 Y238 S245	I182-I242 HydrophobicContact CB-CD1 3.85Å; I182-I242 HydrophobicContact CG2-CD1 4.37Å; I182-I242 WeakPolarHBondContact O-CG1 3.48Å; I182-I242 WeakPolarHBondContact O-CG2 3.18Å; L183-I242 HydrophobicContact CD2-CG1 3.76Å; L183-I242 HydrophobicContact CG-CG1 4.46Å; F199-I242 HydrophobicContact CE2-CG2 4.16Å; F199-I242 HydrophobicContact CZ-CG2 4.23Å; S237-I242 PolarHBondContact O-N 3.25Å; Y238-I242 HydrophobicContact CD2-CB 3.67Å; Y238-I242 HydrophobicContact CD2-CD1 4.01Å; Y238-I242 HydrophobicContact CD2-CG1 4.36Å; Y238-I242 HydrophobicContact CD2-CG2 3.76Å; Y238-I242 HydrophobicContact CE2-CB 4.13Å; Y238-I242 HydrophobicContact CE2-CG2 3.8Å; Y238-I242 HydrophobicContact CG-CB 4.37Å; Y238-I242 PolarHBondContact O-N 3.33Å; Y238-I242 VanDerWaalsContact O-N 3.15Å; I242-S245 WeakPolarHBondContact O-CB 3.45Å; I242-S245 PolarHBondContact O-N 2.98Å; I242-S245 VanDerWaalsContact O-N 3.08Å; I242-S245 PolarHBondContact O-OG 2.88Å
243	A	93.4	Very high	93.3	Very high	35 Å²	35	50.5 Å²	50.5	29%	0.289	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-60.1	-41.3	-177.6	0	0	0	0	0	113.4	Y238 S245 M246	Y238-A243 HydrophobicContact CD1-CB 4.3Å; Y238-A243 HydrophobicContact CE1-CB 3.87Å; Y238-A243 WeakPolarHBondContact O-CB 3.36Å; Y238-A243 PolarHBondContact O-N 3.22Å; A243-S245 PolarHBondContact O-N 2.71Å; A243-M246 WeakPolarHBondContact O-CB 3.21Å; A243-M246 PolarHBondContact O-N 3.24Å; A243-M246 VanDerWaalsContact O-N 3.08Å
244	P	94	Very high	93.3	Very high	77 Å²	77	52.1 Å²	52.1	50%	0.5	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-60.5	-28.8	174.8	-25.4	36.6	0	0	0	113.5	M246 A247	P244-M246 PolarHBondContact O-N 3.2Å; P244-A247 PolarHBondContact O-N 2.89Å
245	S	93	Very high	92.9	Very high	8 Å²	8	58.9 Å²	58.9	6%	0.056	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-70.9	-12.8	178	80.8	0	0	0	0	114	I242 A243 A247 Q248	I242-S245 WeakPolarHBondContact O-CB 3.45Å; I242-S245 PolarHBondContact O-N 2.98Å; I242-S245 VanDerWaalsContact O-N 3.08Å; I242-S245 PolarHBondContact O-OG 2.88Å; A243-S245 PolarHBondContact O-N 2.71Å; S245-A247 PolarHBondContact O-N 3.48Å; S245-Q248 WeakPolarHBondContact O-CB 3.45Å; S245-Q248 PolarHBondContact O-N 2.87Å
246	M	93.6	Very high	92.4	Very high	52 Å²	52	54.5 Å²	54.5	26%	0.256	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-57.3	-32.7	171	-173.1	-168.9	-75.6	0	0	111.6	F199 D201 A243 P244 Q248 A249 I252	F199-M246 HydrophobicContact CB-CG 4.47Å; F199-M246 HydrophobicContact CD1-CB 4.29Å; F199-M246 HydrophobicContact CD1-CE 3.76Å; F199-M246 HydrophobicContact CD1-CG 3.96Å; F199-M246 HydrophobicContact CD2-CB 3.99Å; F199-M246 HydrophobicContact CD2-CG 4.4Å; F199-M246 HydrophobicContact CE1-CB 4.29Å; F199-M246 HydrophobicContact CE1-CE 3.39Å; F199-M246 HydrophobicContact CE1-CG 4.27Å; F199-M246 HydrophobicContact CE2-CB 3.99Å; F199-M246 HydrophobicContact CG-CB 4.14Å; F199-M246 HydrophobicContact CG-CG 4.03Å; F199-M246 HydrophobicContact CZ-CB 4.13Å; F199-M246 HydrophobicContact CZ-CE 4.08Å; D201-M246 HydrophobicContact CB-CE 4.16Å; A243-M246 WeakPolarHBondContact O-CB 3.21Å; A243-M246 PolarHBondContact O-N 3.24Å; A243-M246 VanDerWaalsContact O-N 3.08Å; P244-M246 PolarHBondContact O-N 3.2Å; M246-Q248 PolarHBondContact O-N 3.17Å; M246-Q248 VanDerWaalsContact O-N 3.17Å; M246-A249 VanDerWaalsContact O-CB 3.31Å; M246-A249 WeakPolarHBondContact O-CB 3.41Å; M246-A249 PolarHBondContact O-N 3Å; M246-A249 VanDerWaalsContact O-N 3.09Å; M246-I252 HydrophobicContact CG-CD1 3.72Å; M246-I252 HydrophobicContact CG-CG1 4.2Å; M246-I252 HydrophobicContact SD-CD1 3.89Å
247	A	93.2	Very high	91.6	Very high	99 Å²	99	53.2 Å²	53.2	82%	0.818	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-68.1	-9.3	177.1	0	0	0	0	0	114.2	P244 S245	P244-A247 PolarHBondContact O-N 2.89Å; S245-A247 PolarHBondContact O-N 3.48Å
248	Q	91.9	Very high	91.2	Very high	75 Å²	75	59.6 Å²	59.6	35%	0.35	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-98.2	-1.1	173.9	-57.1	-174.5	-2.3	0	0	113.1	F185 S245 M246	F185-Q248 PolarHBondContact O-OE1 3.21Å; S245-Q248 WeakPolarHBondContact O-CB 3.45Å; S245-Q248 PolarHBondContact O-N 2.87Å; M246-Q248 PolarHBondContact O-N 3.17Å; M246-Q248 VanDerWaalsContact O-N 3.17Å
249	A	93.8	Very high	90.8	Very high	23 Å²	23	59.3 Å²	59.3	19%	0.19	32%	0.322	C	S	.	.			trans	-82	133.2	-174.6	0	0	0	0	0	112.1	F185 K197 F199 M246 I251 I252	F185-A249 HydrophobicContact CE2-CB 4.2Å; K197-A249 CarbonylContact O-C 3.57Å; F199-A249 HydrophobicContact CB-CB 3.65Å; M246-A249 VanDerWaalsContact O-CB 3.31Å; M246-A249 WeakPolarHBondContact O-CB 3.41Å; M246-A249 PolarHBondContact O-N 3Å; M246-A249 VanDerWaalsContact O-N 3.09Å; A249-I251 VanDerWaalsContact C-N 3.34Å; A249-I252 HydrophobicContact CB-CG1 4.46Å
250	D	94.2	Very high	90.6	Very high	87 Å²	87	58.4 Å²	58.4	47%	0.465	32%	0.323	S	S	.	.	S	Bend	trans	-75.6	-26.7	172.8	-50	-58.2	0	0	0	111	L196 K197	L196-D250 HydrophobicContact CD1-CB 4.03Å; K197-D250 VanDerWaalsContact CB-OD2 3.31Å; K197-D250 WeakPolarHBondContact CB-OD2 3.31Å; K197-D250 PolarHBondContact N-OD2 2.7Å; K197-D250 IonicContact NZ-OD1 3.75Å; K197-D250 PolarHBondContact NZ-OD1 3.22Å; K197-D250 IonicContact NZ-OD2 2.83Å; K197-D250 PolarHBondContact NZ-OD2 3.05Å; K197-D250 PolarHBondContact O-N 2.9Å
251	I	93.5	Very high	90.4	Very high	59 Å²	59	56.8 Å²	56.8	30%	0.303	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	135.3	177.4	-58.6	179.3	0	0	0	110.3	L196 K197 V198 F199 A249 V253 I266	L196-I251 HydrophobicContact CD1-CD1 3.98Å; L196-I251 HydrophobicContact CD1-CG1 4.27Å; K197-I251 PolarHBondContact O-N 2.72Å; K197-I251 VanDerWaalsContact O-N 3.11Å; V198-I251 CarbonylContact C-O 3.55Å; V198-I251 WeakPolarHBondContact CA-O 3.21Å; F199-I251 PolarHBondContact N-O 2.93Å; A249-I251 VanDerWaalsContact C-N 3.34Å; I251-V253 HydrophobicContact CG2-CG2 4.11Å; I251-I266 HydrophobicContact CD1-CG1 3.9Å; I251-I266 HydrophobicContact CG2-CD1 4.39Å
252	I	93.9	Very high	90.3	Very high	80 Å²	80	56.4 Å²	56.4	41%	0.41	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	129.1	169	-58	172.2	0	0	0	109.4	F199 D201 M246 A249 P254	F199-I252 HydrophobicContact CB-CG1 4.5Å; F199-I252 CarbonylContact O-C 3.52Å; F199-I252 WeakPolarHBondContact O-CA 3.5Å; D201-I252 HydrophobicContact CB-CG2 3.85Å; M246-I252 HydrophobicContact CG-CD1 3.72Å; M246-I252 HydrophobicContact CG-CG1 4.2Å; M246-I252 HydrophobicContact SD-CD1 3.89Å; A249-I252 HydrophobicContact CB-CG1 4.46Å; I252-P254 WeakPolarHBondContact O-CD 3.25Å
253	V	93.4	Very high	90.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	92.6	-179.9	-179	0	0	0	0	109.6	V198 F199 D201 I251 G256 N259 A262 I266	V198-V253 HydrophobicContact CG1-CB 4.4Å; V198-V253 HydrophobicContact CG1-CG2 3.5Å; F199-V253 PolarHBondContact O-N 3.29Å; D201-V253 PolarHBondContact N-O 2.8Å; I251-V253 HydrophobicContact CG2-CG2 4.11Å; V253-G256 PolarHBondContact O-N 3.25Å; V253-N259 HydrophobicContact CG1-CB 4.16Å; V253-A262 HydrophobicContact CG1-CB 4.09Å; V253-A262 HydrophobicContact CG2-CB 4.25Å; V253-I266 HydrophobicContact CG2-CD1 3.78Å
254	P	91.5	Very high	89.9	Confident	61 Å²	61	60 Å²	60	40%	0.396	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	141.1	177.5	27.9	-33.8	0	0	0	110.9	D201 I252 G256 N259	D201-P254 CarbonylContact O-C 3.6Å; D201-P254 WeakPolarHBondContact O-CA 3.43Å; I252-P254 WeakPolarHBondContact O-CD 3.25Å; P254-G256 PolarHBondContact O-N 2.86Å; P254-N259 WeakPolarHBondContact O-CB 3.17Å; P254-N259 PolarHBondContact O-ND2 2.89Å
255	R	84	Confident	89.7	Confident	147 Å²	147	61.4 Å²	61.4	56%	0.555	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	8.8	-176.5	-50.6	173	-66.4	-173.8	-0.2	114.7	D201 G257 K258	D201-R255 PolarHBondContact O-N 2.97Å; R255-G257 PolarHBondContact O-N 2.95Å; R255-K258 PolarHBondContact O-N 3.41Å
256	G	81.1	Confident	89.6	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	53	-132	175.6	0	0	0	0	0	114.5	V200 V253 P254 K258 N259	V200-G256 VanDerWaalsContact CG1-CA 3.5Å; V253-G256 PolarHBondContact O-N 3.25Å; P254-G256 PolarHBondContact O-N 2.86Å; G256-K258 PolarHBondContact O-N 2.85Å; G256-N259 WeakPolarHBondContact O-CB 3.47Å; G256-N259 PolarHBondContact O-N 2.81Å
257	G	77.5	Confident	89.4	Confident	24 Å²	24	59.1 Å²	59.1	25%	0.247	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-59	-10.8	-172.9	0	0	0	0	0	116	R255 N259	R255-G257 PolarHBondContact O-N 2.95Å; G257-N259 VanDerWaalsContact C-N 3.34Å
258	K	83.8	Confident	89.1	Confident	136 Å²	136	60.5 Å²	60.5	59%	0.591	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-78.8	-15.5	173.5	-60.8	177.2	-175.6	171.2	0	113.1	E206 R255 G256 V260	E206-K258 IonicContact OE1-NZ 2.75Å; E206-K258 PolarHBondContact OE1-NZ 3.48Å; E206-K258 IonicContact OE2-NZ 3.4Å; R255-K258 PolarHBondContact O-N 3.41Å; G256-K258 PolarHBondContact O-N 2.85Å; K258-V260 PolarHBondContact O-N 3.39Å; K258-V260 VanDerWaalsContact O-N 3.16Å
259	N	87.4	Confident	88.9	Confident	21 Å²	21	60.9 Å²	60.9	11%	0.112	32%	0.317	C	S	.	.			trans	-90.7	74.4	-172	-168.1	-14	0	0	0	112.1	V253 P254 G256 G257 V261 A262 L263	V253-N259 HydrophobicContact CG1-CB 4.16Å; P254-N259 WeakPolarHBondContact O-CB 3.17Å; P254-N259 PolarHBondContact O-ND2 2.89Å; G256-N259 WeakPolarHBondContact O-CB 3.47Å; G256-N259 PolarHBondContact O-N 2.81Å; G257-N259 VanDerWaalsContact C-N 3.34Å; N259-V261 PolarHBondContact O-N 2.92Å; N259-A262 HydrophobicContact CB-CB 4.28Å; N259-A262 PolarHBondContact O-N 3.4Å; N259-A262 PolarHBondContact OD1-N 2.82Å; N259-L263 WeakPolarHBondContact O-CD1 3.42Å; N259-L263 VanDerWaalsContact O-CG 3.3Å; N259-L263 WeakPolarHBondContact O-CG 3.46Å; N259-L263 PolarHBondContact O-N 2.75Å; N259-L263 VanDerWaalsContact O-N 3.09Å
260	V	88.2	Confident	88.5	Confident	87 Å²	87	59.8 Å²	59.8	53%	0.527	31%	0.308	S	S	.	.	H	α-helix	trans	-52.8	-39.3	-176.3	-176.5	0	0	0	0	112.7	K258 L263 Q264	K258-V260 PolarHBondContact O-N 3.39Å; K258-V260 VanDerWaalsContact O-N 3.16Å; V260-L263 PolarHBondContact O-N 2.72Å; V260-Q264 HydrophobicContact CG1-CG 4.25Å; V260-Q264 WeakPolarHBondContact O-CB 3.26Å; V260-Q264 VanDerWaalsContact O-CG 3.29Å; V260-Q264 WeakPolarHBondContact O-CG 3.36Å; V260-Q264 PolarHBondContact O-N 3.29Å
261	V	90.1	Very high	87.9	Confident	96 Å²	96	58.1 Å²	58.1	58%	0.582	30%	0.299	S	S	*	.	H	α-helix	trans	-65.1	-47.1	-179.2	-178.1	0	0	0	0	111.6	N259 L263 Q264 L265	N259-V261 PolarHBondContact O-N 2.92Å; V261-L263 VanDerWaalsContact C-N 3.31Å; V261-L263 PolarHBondContact O-N 3Å; V261-Q264 PolarHBondContact O-N 3.3Å; V261-L265 HydrophobicContact CG1-CD1 4.48Å; V261-L265 WeakPolarHBondContact O-CG 3.41Å; V261-L265 PolarHBondContact O-N 3.33Å
262	A	90.2	Very high	87.3	Confident	15 Å²	15	62.3 Å²	62.3	12%	0.124	31%	0.314	C	S	.	.	H	α-helix	trans	-64.6	-37.9	177.4	0	0	0	0	0	111.9	V253 N259 L265 I266	V253-A262 HydrophobicContact CG1-CB 4.09Å; V253-A262 HydrophobicContact CG2-CB 4.25Å; N259-A262 HydrophobicContact CB-CB 4.28Å; N259-A262 PolarHBondContact O-N 3.4Å; N259-A262 PolarHBondContact OD1-N 2.82Å; A262-L265 PolarHBondContact O-N 3.44Å; A262-I266 WeakPolarHBondContact O-CG1 3.44Å; A262-I266 PolarHBondContact O-N 3.05Å; A262-I266 VanDerWaalsContact O-N 3.11Å
263	L	89.7	Confident	86.6	Confident	4 Å²	4	64 Å²	64	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-65.5	-43.3	176.4	-64.8	164.1	0	0	0	111.5	V88 V91 I92 N259 V260 V261 L265 I266 V267	V88-L263 HydrophobicContact CB-CD2 4.25Å; V88-L263 HydrophobicContact CG1-CD2 3.76Å; V88-L263 HydrophobicContact CG2-CD2 4.26Å; V91-L263 HydrophobicContact CB-CD1 4.26Å; V91-L263 HydrophobicContact CG1-CB 4.48Å; V91-L263 HydrophobicContact CG1-CD1 3.87Å; I92-L263 HydrophobicContact CG1-CD2 4.21Å; N259-L263 WeakPolarHBondContact O-CD1 3.42Å; N259-L263 VanDerWaalsContact O-CG 3.3Å; N259-L263 WeakPolarHBondContact O-CG 3.46Å; N259-L263 PolarHBondContact O-N 2.75Å; N259-L263 VanDerWaalsContact O-N 3.09Å; V260-L263 PolarHBondContact O-N 2.72Å; V261-L263 VanDerWaalsContact C-N 3.31Å; V261-L263 PolarHBondContact O-N 3Å; L263-L265 PolarHBondContact O-N 3.04Å; L263-I266 PolarHBondContact O-N 3.25Å; L263-V267 WeakPolarHBondContact O-CB 3.14Å; L263-V267 VanDerWaalsContact O-CG2 3.23Å; L263-V267 WeakPolarHBondContact O-CG2 3.29Å; L263-V267 PolarHBondContact O-N 2.76Å
264	Q	89.1	Confident	85.5	Confident	108 Å²	108	65.7 Å²	65.7	51%	0.505	33%	0.325	S	S	.	.	H	α-helix	trans	-61	-41.9	175	-77.7	174.4	-14.1	0	0	112.3	V260 V261 V267 Q268	V260-Q264 HydrophobicContact CG1-CG 4.25Å; V260-Q264 WeakPolarHBondContact O-CB 3.26Å; V260-Q264 VanDerWaalsContact O-CG 3.29Å; V260-Q264 WeakPolarHBondContact O-CG 3.36Å; V260-Q264 PolarHBondContact O-N 3.29Å; V261-Q264 PolarHBondContact O-N 3.3Å; Q264-V267 PolarHBondContact O-N 3.49Å; Q264-Q268 WeakPolarHBondContact O-CB 3.46Å; Q264-Q268 VanDerWaalsContact O-CG 3.26Å; Q264-Q268 WeakPolarHBondContact O-CG 3.23Å; Q264-Q268 PolarHBondContact O-N 2.88Å
265	L	90.3	Very high	84.5	Confident	107 Å²	107	71.4 Å²	71.4	56%	0.56	34%	0.343	S	S	*	.	H	α-helix	trans	-63.3	-42.1	176.3	-70.7	170.9	0	0	0	112.2	V261 A262 L263 Q268 H269	V261-L265 HydrophobicContact CG1-CD1 4.48Å; V261-L265 WeakPolarHBondContact O-CG 3.41Å; V261-L265 PolarHBondContact O-N 3.33Å; A262-L265 PolarHBondContact O-N 3.44Å; L263-L265 PolarHBondContact O-N 3.04Å; L265-Q268 PolarHBondContact O-N 3.01Å; L265-H269 PolarHBondContact O-N 3.24Å
266	I	90.7	Very high	83.6	Confident	1 Å²	1	70.3 Å²	70.3	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-61.8	-50.2	174.9	-69.8	164.3	0	0	0	110.3	I92 L196 V198 I251 V253 A262 L263 Q268 H269 I270	I92-I266 HydrophobicContact CD1-CG2 3.78Å; I92-I266 HydrophobicContact CG1-CG2 4.16Å; L196-I266 HydrophobicContact CD2-CG2 4.45Å; V198-I266 HydrophobicContact CG1-CD1 4.05Å; V198-I266 HydrophobicContact CG2-CD1 4.17Å; I251-I266 HydrophobicContact CD1-CG1 3.9Å; I251-I266 HydrophobicContact CG2-CD1 4.39Å; V253-I266 HydrophobicContact CG2-CD1 3.78Å; A262-I266 WeakPolarHBondContact O-CG1 3.44Å; A262-I266 PolarHBondContact O-N 3.05Å; A262-I266 VanDerWaalsContact O-N 3.11Å; L263-I266 PolarHBondContact O-N 3.25Å; I266-Q268 PolarHBondContact O-N 2.91Å; I266-H269 WeakPolarHBondContact O-CB 3.15Å; I266-H269 PolarHBondContact O-N 2.83Å; I266-I270 HydrophobicContact CG2-CD1 3.61Å; I266-I270 HydrophobicContact CG2-CG1 4.46Å; I266-I270 WeakPolarHBondContact O-CD1 3.41Å; I266-I270 VanDerWaalsContact O-CG1 3.25Å; I266-I270 WeakPolarHBondContact O-CG1 3.49Å; I266-I270 PolarHBondContact O-N 3.38Å
267	V	88.9	Confident	82.5	Confident	12 Å²	12	72.8 Å²	72.8	7%	0.073	36%	0.361	C	S	.	.	H	α-helix	trans	-61.4	-40.4	179.4	169.9	0	0	0	0	111.8	I92 S95 L96 L263 Q264 I270 N271	I92-V267 HydrophobicContact CG1-CG2 4.39Å; I92-V267 HydrophobicContact CG2-CG2 4.48Å; S95-V267 WeakPolarHBondContact O-CG1 3.33Å; L96-V267 HydrophobicContact CD2-CG1 4.15Å; L96-V267 HydrophobicContact CG-CG1 4.48Å; L263-V267 WeakPolarHBondContact O-CB 3.14Å; L263-V267 VanDerWaalsContact O-CG2 3.23Å; L263-V267 WeakPolarHBondContact O-CG2 3.29Å; L263-V267 PolarHBondContact O-N 2.76Å; Q264-V267 PolarHBondContact O-N 3.49Å; V267-I270 PolarHBondContact O-N 3.07Å; V267-N271 WeakPolarHBondContact O-CB 3.5Å; V267-N271 PolarHBondContact O-N 2.95Å; V267-N271 PolarHBondContact O-ND2 2.83Å
268	Q	87.6	Confident	81.3	Confident	127 Å²	127	74.7 Å²	74.7	59%	0.593	38%	0.381	S	S	*	.	H	α-helix	trans	-64.5	-40.4	174.8	-75.9	177.5	8.8	0	0	112.5	Q264 L265 I266 K272	Q264-Q268 WeakPolarHBondContact O-CB 3.46Å; Q264-Q268 VanDerWaalsContact O-CG 3.26Å; Q264-Q268 WeakPolarHBondContact O-CG 3.23Å; Q264-Q268 PolarHBondContact O-N 2.88Å; L265-Q268 PolarHBondContact O-N 3.01Å; I266-Q268 PolarHBondContact O-N 2.91Å; Q268-K272 WeakPolarHBondContact O-CB 3.35Å; Q268-K272 PolarHBondContact O-N 3.47Å
269	H	87.4	Confident	79.9	Confident	84 Å²	84	72.3 Å²	72.3	39%	0.389	37%	0.374	S	S	.	.	H	α-helix	trans	-61.4	-47.6	174.5	-172.2	106.9	0	0	0	111.2	L265 I266 K272 R273	L265-H269 PolarHBondContact O-N 3.24Å; I266-H269 WeakPolarHBondContact O-CB 3.15Å; I266-H269 PolarHBondContact O-N 2.83Å; H269-K272 WeakPolarHBondContact O-CB 3.36Å; H269-K272 PolarHBondContact O-N 3.43Å; H269-R273 PolarHBondContact NE2-NE 3.09Å; H269-R273 PolarHBondContact O-N 3.15Å
270	I	85.1	Confident	78.3	Confident	0 Å²	0	80.8 Å²	80.8	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-63.2	-46	-180	-62.4	160.6	0	0	0	110.7	F73 I75 I92 L96 I176 I266 V267 K272 R273 L274	F73-I270 HydrophobicContact CE1-CG1 4.18Å; I75-I270 HydrophobicContact CD1-CD1 3.42Å; I75-I270 VanDerWaalsContact CD1-CD1 3.42Å; I75-I270 HydrophobicContact CD1-CG1 3.83Å; I92-I270 HydrophobicContact CG2-CD1 3.86Å; L96-I270 HydrophobicContact CD1-CD1 4.41Å; L96-I270 HydrophobicContact CD1-CG2 4.1Å; L96-I270 HydrophobicContact CD2-CB 3.86Å; L96-I270 HydrophobicContact CD2-CG2 3.48Å; L96-I270 VanDerWaalsContact CD2-CG2 3.48Å; L96-I270 HydrophobicContact CG-CG2 4.46Å; I176-I270 HydrophobicContact CD1-CG2 3.31Å; I176-I270 HydrophobicContact CG1-CG2 3.99Å; I266-I270 HydrophobicContact CG2-CD1 3.61Å; I266-I270 HydrophobicContact CG2-CG1 4.46Å; I266-I270 WeakPolarHBondContact O-CD1 3.41Å; I266-I270 VanDerWaalsContact O-CG1 3.25Å; I266-I270 WeakPolarHBondContact O-CG1 3.49Å; I266-I270 PolarHBondContact O-N 3.38Å; V267-I270 PolarHBondContact O-N 3.07Å; I270-K272 VanDerWaalsContact C-N 3.27Å; I270-K272 PolarHBondContact O-N 3.34Å; I270-R273 WeakPolarHBondContact O-CA 3.39Å; I270-R273 WeakPolarHBondContact O-CB 3.4Å; I270-R273 PolarHBondContact O-N 3.26Å; I270-L274 HydrophobicContact CG2-CG 4.48Å; I270-L274 PolarHBondContact O-N 3.17Å
271	N	81.7	Confident	76.9	Confident	52 Å²	52	76.7 Å²	76.7	28%	0.278	38%	0.38	S	S	.	.	H	α-helix	trans	-62.8	-31.7	176.5	-82.7	-28.1	0	0	0	112.9	L96 V267 K275	L96-N271 WeakPolarHBondContact CD2-OD1 3.42Å; V267-N271 WeakPolarHBondContact O-CB 3.5Å; V267-N271 PolarHBondContact O-N 2.95Å; V267-N271 PolarHBondContact O-ND2 2.83Å; N271-K275 WeakPolarHBondContact O-CG 3.35Å; N271-K275 PolarHBondContact O-N 3.2Å
272	K	82.1	Confident	75.5	Confident	146 Å²	146	73.8 Å²	73.8	64%	0.635	36%	0.358	S	S	*	.	H	α-helix	trans	-67.2	-38.9	171.1	-174.8	175.5	178.7	177.8	0	111.8	Q268 H269 I270 Q276	Q268-K272 WeakPolarHBondContact O-CB 3.35Å; Q268-K272 PolarHBondContact O-N 3.47Å; H269-K272 WeakPolarHBondContact O-CB 3.36Å; H269-K272 PolarHBondContact O-N 3.43Å; I270-K272 VanDerWaalsContact C-N 3.27Å; I270-K272 PolarHBondContact O-N 3.34Å; K272-Q276 WeakPolarHBondContact O-CG 3.21Å; K272-Q276 PolarHBondContact O-N 2.82Å
273	R	78.1	Confident	74.1	Confident	116 Å²	116	77.6 Å²	77.6	44%	0.438	37%	0.373	S	S	.	.	H	α-helix	trans	-66.9	-49.1	174.1	-67.9	-62.6	-165.2	161.1	10.1	112.1	F73 H269 I270 K275 Q276 C277	F73-R273 HydrophobicContact CD2-CG 4.49Å; F73-R273 HydrophobicContact CE2-CG 4.2Å; F73-R273 HydrophobicContact CZ-CG 4.38Å; H269-R273 PolarHBondContact NE2-NE 3.09Å; H269-R273 PolarHBondContact O-N 3.15Å; I270-R273 WeakPolarHBondContact O-CA 3.39Å; I270-R273 WeakPolarHBondContact O-CB 3.4Å; I270-R273 PolarHBondContact O-N 3.26Å; R273-K275 VanDerWaalsContact C-N 3.26Å; R273-K275 PolarHBondContact O-N 2.97Å; R273-Q276 WeakPolarHBondContact O-CB 3.15Å; R273-Q276 PolarHBondContact O-N 3.28Å; R273-C277 PolarHBondContact O-N 3.37Å
274	L	71.9	Confident	72.7	Confident	36 Å²	36	81.6 Å²	81.6	19%	0.188	39%	0.391	C	S	.	.	H	α-helix	trans	-53.4	-42.8	177.1	-75.4	179.9	0	0	0	112.3	V98 N175 I176 I270 Q276 C277 G278	V98-L274 HydrophobicContact CG1-CD1 4.44Å; V98-L274 HydrophobicContact CG2-CD1 4.3Å; N175-L274 HydrophobicContact CB-CD2 4.1Å; I176-L274 HydrophobicContact CD1-CD1 3.83Å; I176-L274 HydrophobicContact CD1-CD2 3.89Å; I176-L274 HydrophobicContact CD1-CG 4.01Å; I176-L274 HydrophobicContact CG1-CD2 4.06Å; I270-L274 HydrophobicContact CG2-CG 4.48Å; I270-L274 PolarHBondContact O-N 3.17Å; L274-Q276 VanDerWaalsContact C-N 3.26Å; L274-Q276 PolarHBondContact O-N 2.91Å; L274-C277 WeakPolarHBondContact O-CB 3.43Å; L274-C277 PolarHBondContact O-N 2.94Å; L274-C277 VanDerWaalsContact O-N 3.1Å; L274-G278 PolarHBondContact O-N 2.9Å
275	K	68.8	Low	71.3	Confident	180 Å²	180	76.5 Å²	76.5	78%	0.783	37%	0.367	S	S	*	.	H	α-helix	trans	-68.1	-19.3	177.8	-72.9	178.9	179.8	-175.4	0	114.4	N271 R273	N271-K275 WeakPolarHBondContact O-CG 3.35Å; N271-K275 PolarHBondContact O-N 3.2Å; R273-K275 VanDerWaalsContact C-N 3.26Å; R273-K275 PolarHBondContact O-N 2.97Å
276	Q	65.1	Low	69.7	Low	125 Å²	125	72.4 Å²	72.4	58%	0.584	35%	0.348	S	S	*	.	H	α-helix	trans	-82.2	-27.9	171	-67.3	175.6	-40.2	0	0	111.9	K272 R273 L274	K272-Q276 WeakPolarHBondContact O-CG 3.21Å; K272-Q276 PolarHBondContact O-N 2.82Å; R273-Q276 WeakPolarHBondContact O-CB 3.15Å; R273-Q276 PolarHBondContact O-N 3.28Å; L274-Q276 VanDerWaalsContact C-N 3.26Å; L274-Q276 PolarHBondContact O-N 2.91Å
277	C	59	Low	68.1	Low	51 Å²	51	79.4 Å²	79.4	35%	0.345	38%	0.379	S	S	.	.	H	α-helix	trans	-81.2	-28.5	177.2	-65.5	0	0	0	0	113.4	Q70 R273 L274 L279	Q70-C277 PolarHBondContact NE2-O 3.23Å; Q70-C277 VanDerWaalsContact OE1-CB 3.26Å; Q70-C277 PolarHBondContact OE1-O 3.32Å; Q70-C277 VanDerWaalsContact OE1-O 3.1Å; R273-C277 PolarHBondContact O-N 3.37Å; L274-C277 WeakPolarHBondContact O-CB 3.43Å; L274-C277 PolarHBondContact O-N 2.94Å; L274-C277 VanDerWaalsContact O-N 3.1Å; C277-L279 VanDerWaalsContact C-N 3.31Å; C277-L279 PolarHBondContact O-N 2.91Å
278	G	52.8	Low	66.4	Low	64 Å²	64	81.6 Å²	81.6	66%	0.66	39%	0.387	S	S	*	.			trans	-68.8	70.1	-176.6	0	0	0	0	0	115.8	L274	L274-G278 PolarHBondContact O-N 2.9Å
279	L	53.1	Low	64.3	Low	87 Å²	87	78.8 Å²	78.8	46%	0.455	38%	0.38	S	S	.	.			trans	-76.2	138.1	170.8	-77.8	121.2	0	0	0	111.6	C277 T281	C277-L279 VanDerWaalsContact C-N 3.31Å; C277-L279 PolarHBondContact O-N 2.91Å; L279-T281 PolarHBondContact O-N 2.9Å
280	R	54	Low	62.3	Low	198 Å²	198	78.4 Å²	78.4	75%	0.747	38%	0.377	S	S	*	.			trans	-69.1	105	169.6	-65.3	176.9	178	174.3	-2.8	109.6	E458	R280-E458 VanDerWaalsContact CA-OE1 3.27Å; R280-E458 WeakPolarHBondContact CA-OE1 3.27Å
281	T	59.3	Low	59.8	Low	1 Å²	1	84.6 Å²	84.6	1%	0.006	41%	0.409	C	S	.	.			trans	-87.3	-45.8	-178.2	78.9	0	0	0	0	111.5	P61 L279 H283 K284 F285 E458	P61-T281 HydrophobicContact CB-CG2 3.77Å; P61-T281 HydrophobicContact CG-CG2 4.22Å; L279-T281 PolarHBondContact O-N 2.9Å; T281-H283 VanDerWaalsContact C-N 3.34Å; T281-H283 PolarHBondContact O-N 2.65Å; T281-K284 WeakPolarHBondContact O-CB 3.34Å; T281-K284 PolarHBondContact O-N 3.41Å; T281-F285 WeakPolarHBondContact O-CD2 3.42Å; T281-F285 PolarHBondContact O-N 2.91Å; T281-E458 WeakPolarHBondContact CA-OE2 3.44Å; T281-E458 WeakPolarHBondContact CB-OE2 3.39Å; T281-E458 VanDerWaalsContact N-CD 3.26Å; T281-E458 PolarHBondContact N-OE1 2.54Å; T281-E458 PolarHBondContact N-OE2 2.68Å; T281-E458 PolarHBondContact OG1-OE2 3.04Å
282	R	59.6	Low	57.4	Low	36 Å²	36	84.3 Å²	84.3	14%	0.136	41%	0.407	C	S	.	.	H	α-helix	trans	-62.2	-39.6	-174.5	-173.6	-179	-172.7	150.8	1.5	112.7	K284 F285 A286 T452 S457 E458 T484 A486	R282-K284 VanDerWaalsContact C-N 3.29Å; R282-K284 PolarHBondContact O-N 2.85Å; R282-F285 PolarHBondContact O-N 3.39Å; R282-A286 WeakPolarHBondContact O-CB 3.26Å; R282-A286 PolarHBondContact O-N 3.16Å; R282-T452 PolarHBondContact NH1-OG1 3.28Å; R282-S457 WeakPolarHBondContact CD-O 3.38Å; R282-S457 PolarHBondContact NH1-O 3.46Å; R282-E458 PolarHBondContact N-OE1 3.5Å; R282-E458 PolarHBondContact N-OE2 2.87Å; R282-T484 HydrophobicContact CG-CG2 4.24Å; R282-A486 HydrophobicContact CG-CB 4.4Å
283	H	61.7	Low	54.9	Low	94 Å²	94	82.5 Å²	82.5	44%	0.435	41%	0.41	S	S	.	.	H	α-helix	trans	-64.6	-35.5	177.8	-168.4	73.6	0	0	0	112	T281 K287 Y542	T281-H283 VanDerWaalsContact C-N 3.34Å; T281-H283 PolarHBondContact O-N 2.65Å; H283-K287 WeakPolarHBondContact NE2-CE 3.35Å; H283-K287 WeakPolarHBondContact O-CB 3.43Å; H283-K287 PolarHBondContact O-N 3.39Å; H283-Y542 AromaticContact CE1-CZ 3.53Å; H283-Y542 PolarHBondContact CE1-OH 3.18Å; H283-Y542 PolarHBondContact ND1-OH 3.01Å
284	K	60.3	Low	53	Low	89 Å²	89	84 Å²	84	39%	0.387	43%	0.427	S	S	.	.	H	α-helix	trans	-69.1	-42.4	172.7	-78.2	-173.9	162.4	-164.4	0	112.1	A65 E66 T281 R282 K287 F288	A65-K284 HydrophobicContact CB-CB 3.57Å; A65-K284 HydrophobicContact CB-CD 3.28Å; A65-K284 HydrophobicContact CB-CG 4.11Å; E66-K284 IonicContact OE1-NZ 3.41Å; E66-K284 PolarHBondContact OE1-NZ 3.5Å; E66-K284 IonicContact OE2-NZ 2.72Å; T281-K284 WeakPolarHBondContact O-CB 3.34Å; T281-K284 PolarHBondContact O-N 3.41Å; R282-K284 VanDerWaalsContact C-N 3.29Å; R282-K284 PolarHBondContact O-N 2.85Å; K284-K287 CarbonylContact O-C 3.54Å; K284-K287 VanDerWaalsContact O-C 3.23Å; K284-K287 PolarHBondContact O-N 2.83Å; K284-F288 PolarHBondContact O-N 3.21Å
285	F	59.5	Low	51.1	Low	1 Å²	1	85 Å²	85	0%	0.004	45%	0.446	C	S	.	.	H	α-helix	trans	-63.7	-40.3	175.6	-66.6	-57.1	0	0	0	112.5	Y63 A65 T281 R282 K287 F288 A486 I489 S519	Y63-F285 HydrophobicContact CE2-CE2 4.24Å; Y63-F285 HydrophobicContact CE2-CZ 4.21Å; A65-F285 HydrophobicContact CB-CE1 4.42Å; A65-F285 HydrophobicContact CB-CZ 4.42Å; A65-F285 WeakPolarHBondContact O-CE1 3.39Å; T281-F285 WeakPolarHBondContact O-CD2 3.42Å; T281-F285 PolarHBondContact O-N 2.91Å; R282-F285 PolarHBondContact O-N 3.39Å; F285-K287 VanDerWaalsContact C-N 3.35Å; F285-F288 WeakPolarHBondContact O-CB 3.42Å; F285-F288 PolarHBondContact O-N 2.67Å; F285-A486 HydrophobicContact CD2-CB 3.98Å; F285-A486 HydrophobicContact CE2-CB 4.49Å; F285-I489 HydrophobicContact CD1-CD1 3.88Å; F285-I489 HydrophobicContact CE1-CD1 3.45Å; F285-I489 VanDerWaalsContact CE1-CD1 3.45Å; F285-I489 HydrophobicContact CE2-CD1 4.28Å; F285-I489 HydrophobicContact CG-CD1 4.47Å; F285-I489 HydrophobicContact CZ-CD1 3.69Å; F285-I489 HydrophobicContact CZ-CG2 4.27Å; F285-S519 PolarHBondContact O-OG 2.84Å
286	A	56.4	Low	49.2	Very low	21 Å²	21	79.1 Å²	79.1	17%	0.174	43%	0.431	C	S	.	.	H	α-helix	trans	-67.5	-34.5	175.8	0	0	0	0	0	112.8	R282 T484 Y542	R282-A286 WeakPolarHBondContact O-CB 3.26Å; R282-A286 PolarHBondContact O-N 3.16Å; A286-T484 HydrophobicContact CB-CG2 3.96Å; A286-Y542 HydrophobicContact CB-CD1 3.57Å; A286-Y542 HydrophobicContact CB-CE1 3.34Å
287	K	58	Low	47.5	Very low	147 Å²	147	79.1 Å²	79.1	64%	0.639	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	26.4	173.3	-65.8	-160.3	169.8	-160.9	0	113.3	H283 K284 F285 P289	H283-K287 WeakPolarHBondContact NE2-CE 3.35Å; H283-K287 WeakPolarHBondContact O-CB 3.43Å; H283-K287 PolarHBondContact O-N 3.39Å; K284-K287 CarbonylContact O-C 3.54Å; K284-K287 VanDerWaalsContact O-C 3.23Å; K284-K287 PolarHBondContact O-N 2.83Å; F285-K287 VanDerWaalsContact C-N 3.35Å; K287-P289 WeakPolarHBondContact O-CD 3.44Å; K287-P289 VanDerWaalsContact O-N 3.15Å
288	F	53.7	Low	46.1	Very low	59 Å²	59	81.2 Å²	81.2	26%	0.259	45%	0.447	S	S	.	.			trans	-60.7	120.4	177.1	-165.5	-81	0	0	0	108.4	K284 F285 F290 Y522	K284-F288 PolarHBondContact O-N 3.21Å; F285-F288 WeakPolarHBondContact O-CB 3.42Å; F285-F288 PolarHBondContact O-N 2.67Å; F288-F290 PolarHBondContact O-N 3.43Å; F288-Y522 HydrophobicContact CE2-CD1 4.02Å; F288-Y522 HydrophobicContact CE2-CG 4.29Å; F288-Y522 AromaticContact CZ-CD1 3.98Å; F288-Y522 HydrophobicContact CZ-CD1 3.98Å; F288-Y522 HydrophobicContact CZ-CD2 4.23Å; F288-Y522 HydrophobicContact CZ-CE1 4.47Å; F288-Y522 AromaticContact CZ-CG 3.85Å; F288-Y522 HydrophobicContact CZ-CG 3.85Å
289	P	41.7	Very low	45.1	Very low	67 Å²	67	83.8 Å²	83.8	44%	0.435	45%	0.45	S	S	.	.			trans	-66.7	126.8	-166.2	24.4	-33.4	0	0	0	110.7	K287 I291 L297	K287-P289 WeakPolarHBondContact O-CD 3.44Å; K287-P289 VanDerWaalsContact O-N 3.15Å; P289-I291 HydrophobicContact CB-CG1 4.48Å; P289-I291 PolarHBondContact O-N 3.07Å; P289-L297 HydrophobicContact CB-CD2 4.36Å
290	F	45.5	Very low	43.9	Very low	76 Å²	76	88 Å²	88	33%	0.333	47%	0.473	S	S	.	.			trans	-67.3	82.5	165.1	-87.9	-100.1	0	0	0	109	F288 L292 Q515	F288-F290 PolarHBondContact O-N 3.43Å; F290-L292 PolarHBondContact O-N 3.48Å; F290-Q515 HydrophobicContact CE2-CG 4.09Å
291	I	33	Very low	42.8	Very low	131 Å²	131	82.9 Å²	82.9	67%	0.672	47%	0.468	S	S	*	.			trans	-73.7	89.1	160.5	-56.9	179.9	0	0	0	105.9	P289	P289-I291 HydrophobicContact CB-CG1 4.48Å; P289-I291 PolarHBondContact O-N 3.07Å
292	L	31.7	Very low	41.4	Very low	46 Å²	46	91.1 Å²	91.1	24%	0.241	51%	0.512	C	S	.	.			trans	-53.1	151.1	161.8	-69.8	170.8	0	0	0	108.5	F290 N294 G295	F290-L292 PolarHBondContact O-N 3.48Å; L292-N294 PolarHBondContact O-N 3.15Å; L292-G295 PolarHBondContact O-N 3.07Å
293	P	29.9	Very low	40	Very low	107 Å²	107	97.2 Å²	97.2	70%	0.695	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-16.6	179.2	-27.7	35.8	0	0	0	114.9
294	N	38	Very low	38.4	Very low	148 Å²	148	96.7 Å²	96.7	79%	0.791	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	0.5	-179.1	-53.1	0.6	0	0	0	113.4	L292 A296	L292-N294 PolarHBondContact O-N 3.15Å; N294-A296 VanDerWaalsContact C-N 3.29Å; N294-A296 PolarHBondContact O-N 3.31Å
295	G	31.3	Very low	36.9	Very low	57 Å²	57	99.4 Å²	99.4	59%	0.588	58%	0.583	S	S	*	*			trans	77.2	-0.3	174.7	0	0	0	0	0	116.7	L292	L292-G295 PolarHBondContact O-N 3.07Å
296	A	29.7	Very low	35.3	Very low	56 Å²	56	110.7 Å²	110.7	46%	0.463	63%	0.626	S	S	.	*	P	Polyproline II helix	trans	-77.8	131.2	178.3	0	0	0	0	0	112.1	N294	N294-A296 VanDerWaalsContact C-N 3.29Å; N294-A296 PolarHBondContact O-N 3.31Å
297	L	28.9	Very low	34	Very low	126 Å²	126	119 Å²	119	66%	0.66	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-79.9	139.7	161.5	-80.1	144.2	0	0	0	109.1	P289 T299	P289-L297 HydrophobicContact CB-CD2 4.36Å; L297-T299 PolarHBondContact O-N 2.97Å
298	P	30.6	Very low	32.5	Very low	95 Å²	95	118.1 Å²	118.1	62%	0.617	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-61.4	124.3	165.2	-19.5	32.3	0	0	0	109.9
299	T	30.5	Very low	31.5	Very low	117 Å²	117	123 Å²	123	72%	0.718	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-91	124.1	171.6	48.2	0	0	0	0	109.8	L297 S301	L297-T299 PolarHBondContact O-N 2.97Å; T299-S301 PolarHBondContact O-N 3.18Å
300	D	28	Very low	30.7	Very low	175 Å²	175	127.2 Å²	127.2	94%	0.936	71%	0.711	S	S	*	*			trans	-67.1	91.9	170.1	-69.8	-41.7	0	0	0	109.7
301	S	32.1	Very low	30.1	Very low	92 Å²	92	129.3 Å²	129.3	64%	0.643	74%	0.735	S	S	*	*			trans	-123.1	73.4	176.5	63.9	0	0	0	0	111.3	T299 D303	T299-S301 PolarHBondContact O-N 3.18Å; S301-D303 PolarHBondContact O-N 2.91Å; S301-D303 VanDerWaalsContact O-N 3.07Å
302	N	29	Very low	29.9	Very low	174 Å²	174	129.8 Å²	129.8	93%	0.93	75%	0.745	S	S	*	*			trans	-72.6	84.2	156.3	-84.7	-27	0	0	0	108.4
303	D	31.3	Very low	29.8	Very low	163 Å²	163	131.4 Å²	131.4	87%	0.872	77%	0.773	S	S	*	*			trans	-143.2	142.7	160.2	-118.2	-35.4	0	0	0	109.5	S301	S301-D303 PolarHBondContact O-N 2.91Å; S301-D303 VanDerWaalsContact O-N 3.07Å
304	A	27.5	Very low	29.7	Very low	84 Å²	84	132 Å²	132	69%	0.694	77%	0.774	S	S	*	*			trans	-99	149.8	-162.5	0	0	0	0	0	113.6
305	T	29.7	Very low	29.4	Very low	145 Å²	145	131.9 Å²	131.9	89%	0.89	77%	0.773	S	S	*	*			trans	-165.3	156	130.3	9.3	0	0	0	0	110.2
306	W	24.6	Very low	29.2	Very low	238 Å²	238	136 Å²	136	90%	0.902	78%	0.782	S	S	*	*			trans	-95.5	148.1	177	-65.6	14.2	0	0	0	110.3
307	E	28.9	Very low	29.3	Very low	196 Å²	196	140 Å²	140	92%	0.916	80%	0.801	S	S	*	*			trans	-155.3	126.4	144.3	-121.7	169.4	-146.4	0	0	110.6
308	D	26.7	Very low	29.3	Very low	129 Å²	129	140 Å²	140	69%	0.69	81%	0.806	S	S	*	*			trans	-77	149.2	178	-76.6	-64.7	0	0	0	111.7
309	N	32.4	Very low	29.1	Very low	162 Å²	162	142.5 Å²	142.5	87%	0.866	81%	0.814	S	S	*	*			trans	-156	115.6	149.5	-104	-62.2	0	0	0	112.4
310	N	26.1	Very low	29.1	Very low	154 Å²	154	144 Å²	144	82%	0.824	82%	0.818	S	S	*	*			trans	-84.7	135.7	171.5	-85.8	-68.2	0	0	0	110.9
311	S	32.7	Very low	29.2	Very low	120 Å²	120	141.8 Å²	141.8	84%	0.839	81%	0.81	S	S	*	*			trans	-148.8	137.4	154.7	55.8	0	0	0	0	110.7
312	T	27.5	Very low	28.8	Very low	142 Å²	142	146.2 Å²	146.2	87%	0.871	82%	0.818	S	S	*	*			trans	-99	145.7	-175	43.8	0	0	0	0	111.6
313	G	30.9	Very low	28.9	Very low	80 Å²	80	144.1 Å²	144.1	83%	0.825	81%	0.812	S	S	*	*			trans	-149.1	132.3	174.5	0	0	0	0	0	110.1
314	V	28.4	Very low	28.5	Very low	118 Å²	118	144.3 Å²	144.3	72%	0.715	81%	0.809	S	S	*	*			trans	-129.3	136.5	-169.1	-166.3	0	0	0	0	109
315	N	30.8	Very low	28.6	Very low	147 Å²	147	146.8 Å²	146.8	79%	0.786	81%	0.811	S	S	*	*				166.2	153.8	123.1	-88.3	-59.1	0	0	0	114.3
316	N	27.3	Very low	28.5	Very low	142 Å²	142	147.2 Å²	147.2	76%	0.759	81%	0.808	S	S	*	*			trans	-75.6	159.1	-180	-39.1	-59.1	0	0	0	112.3
317	T	31.9	Very low	28.7	Very low	141 Å²	141	144 Å²	144	87%	0.865	80%	0.802	S	S	*	*				-162.9	163.4	107.6	27.5	0	0	0	0	111
318	V	27.8	Very low	28.6	Very low	126 Å²	126	142.7 Å²	142.7	76%	0.764	80%	0.801	S	S	*	*			trans	-130.6	143.5	173.6	-178.5	0	0	0	0	106.7
319	D	26.8	Very low	28.7	Very low	147 Å²	147	147.8 Å²	147.8	79%	0.786	81%	0.812	S	S	*	*			trans	170.7	-179.3	139.1	-85.7	-21.2	0	0	0	111.4
320	D	31.8	Very low	28.4	Very low	150 Å²	150	146.5 Å²	146.5	80%	0.802	81%	0.805	S	S	*	*			trans	63.6	104.9	-179.3	-62.5	-26.3	0	0	0	117.1
321	V	29.3	Very low	28.4	Very low	127 Å²	127	145.9 Å²	145.9	77%	0.77	80%	0.802	S	S	*	*			cis	91.3	112.3	40.6	-178.5	0	0	0	0	114.3
322	F	24.1	Very low	28.4	Very low	185 Å²	185	147.1 Å²	147.1	81%	0.811	79%	0.792	S	S	*	*			trans	33.2	108.5	157.5	-100.1	-99.7	0	0	0	120.1
323	T	29.8	Very low	28.5	Very low	130 Å²	130	146.8 Å²	146.8	80%	0.798	78%	0.781	S	S	*	*			trans	-150.6	126.1	135.7	-69.7	0	0	0	0	109.8
324	M	24.7	Very low	28.9	Very low	167 Å²	167	146.9 Å²	146.9	82%	0.823	76%	0.757	S	S	*	*			trans	-78.2	123.6	167.1	-78.7	-175.4	165.7	0	0	109.9
325	N	28.7	Very low	29.2	Very low	137 Å²	137	147.4 Å²	147.4	73%	0.733	76%	0.76	S	S	*	*			trans	-161.6	93	152.6	-106.7	-34.2	0	0	0	114.9	H327	N325-H327 PolarHBondContact O-N 2.79Å
326	N	28.2	Very low	29.4	Very low	154 Å²	154	143.6 Å²	143.6	82%	0.824	74%	0.743	S	S	*	*				48.5	29.3	124.8	-138	14.4	0	0	0	121.8
327	H	28.6	Very low	29.9	Very low	169 Å²	169	144.4 Å²	144.4	78%	0.782	75%	0.747	S	S	*	*			trans	-134.3	66.8	170.8	-79.1	-65	0	0	0	113.1	N325	N325-H327 PolarHBondContact O-N 2.79Å
328	L	25.8	Very low	29.9	Very low	169 Å²	169	141.3 Å²	141.3	89%	0.885	74%	0.743	S	S	*	*			trans	-121.6	38.1	-175.4	-136.6	82.1	0	0	0	116.1
329	Y	28.8	Very low	30.1	Very low	236 Å²	236	139.8 Å²	139.8	93%	0.925	73%	0.734	S	S	*	*	S	Bend	trans	-124.3	38.9	167.5	-86.4	-80	0	0	0	112.6
330	N	26.8	Very low	30.2	Very low	135 Å²	135	138.2 Å²	138.2	72%	0.722	74%	0.735	S	S	*	*	S	Bend	trans	-121.9	137.3	170	-85.3	-31	0	0	0	110.2	K332	N330-K332 PolarHBondContact O-N 3.3Å
331	N	26.3	Very low	30.5	Very low	142 Å²	142	135.4 Å²	135.4	76%	0.759	72%	0.72	S	S	*	*			trans	37.4	76.4	164	-63.4	-9.3	0	0	0	116.6	Q333	N331-Q333 VanDerWaalsContact C-N 3.27Å; N331-Q333 PolarHBondContact O-N 3.38Å
332	K	33.3	Very low	31.1	Very low	145 Å²	145	136.3 Å²	136.3	63%	0.63	71%	0.713	S	S	*	*			trans	-66.3	87.5	161.9	-78.1	-175	170	-178.1	0	110.4	N330 Y334	N330-K332 PolarHBondContact O-N 3.3Å; K332-Y334 HydrophobicContact CB-CD2 4.48Å; K332-Y334 HydrophobicContact CB-CE2 3.77Å; K332-Y334 HydrophobicContact CD-CE2 4.34Å; K332-Y334 WeakPolarHBondContact O-CD2 3.44Å
333	Q	29.5	Very low	32.5	Very low	136 Å²	136	129.5 Å²	129.5	64%	0.636	69%	0.692	S	S	*	*			trans	-67.4	127.8	166	-66.2	175.2	67.9	0	0	108.6	N331	N331-Q333 VanDerWaalsContact C-N 3.27Å; N331-Q333 PolarHBondContact O-N 3.38Å
334	Y	39.2	Very low	34.4	Very low	81 Å²	81	128.2 Å²	128.2	32%	0.318	69%	0.687	S	S	.	*			trans	-101.2	129.5	169.5	-75.5	-94.4	0	0	0	109.1	K332 T336 L345 V351	K332-Y334 HydrophobicContact CB-CD2 4.48Å; K332-Y334 HydrophobicContact CB-CE2 3.77Å; K332-Y334 HydrophobicContact CD-CE2 4.34Å; K332-Y334 WeakPolarHBondContact O-CD2 3.44Å; Y334-T336 PolarHBondContact O-N 3.47Å; Y334-L345 HydrophobicContact CD2-CD1 3.66Å; Y334-L345 HydrophobicContact CE2-CD1 3.97Å; Y334-L345 HydrophobicContact CG-CD1 4.35Å; Y334-V351 HydrophobicContact CD1-CG1 4.36Å; Y334-V351 HydrophobicContact CE1-CB 3.74Å; Y334-V351 HydrophobicContact CE1-CG1 3.72Å; Y334-V351 HydrophobicContact CE2-CB 4.27Å; Y334-V351 PolarHBondContact OH-O 2.91Å
335	T	33.4	Very low	37	Very low	129 Å²	129	122.1 Å²	122.1	79%	0.791	66%	0.657	S	S	*	*			trans	-80.1	108.2	169.7	48.5	0	0	0	0	108.8
336	T	36	Very low	39.7	Very low	68 Å²	68	117.1 Å²	117.1	42%	0.417	63%	0.632	S	S	.	*			trans	-61.4	128.1	161.6	33.3	0	0	0	0	109.4	Y334 G338 T339	Y334-T336 PolarHBondContact O-N 3.47Å; T336-G338 PolarHBondContact O-N 2.8Å; T336-T339 PolarHBondContact OG1-O 2.93Å
337	N	36.2	Very low	42.5	Very low	159 Å²	159	116 Å²	116	85%	0.85	63%	0.633	S	S	*	*	S	Bend	trans	-73.3	97	172.9	-75.1	-6.4	0	0	0	109.4
338	G	33.5	Very low	45.6	Very low	76 Å²	76	112.4 Å²	112.4	78%	0.784	61%	0.613	S	S	*	*	S	Bend	trans	136.7	-36	163.4	0	0	0	0	0	116.3	T336	T336-G338 PolarHBondContact O-N 2.8Å
339	T	31.7	Very low	48.8	Very low	94 Å²	94	105.1 Å²	105.1	58%	0.577	58%	0.575	S	S	*	*			trans	-137.2	151.4	-179.4	51.7	0	0	0	0	112.5	T336 D341	T336-T339 PolarHBondContact OG1-O 2.93Å; T339-D341 VanDerWaalsContact C-N 3.28Å; T339-D341 PolarHBondContact O-N 3.26Å
340	S	29.2	Very low	52	Low	114 Å²	114	97 Å²	97	80%	0.797	55%	0.546	S	S	*	.			trans	-81.6	12.3	-166.1	48.5	0	0	0	0	116	K342	S340-K342 PolarHBondContact O-N 2.73Å; S340-K342 VanDerWaalsContact O-N 3.1Å
341	D	38.4	Very low	55.3	Low	91 Å²	91	91 Å²	91	49%	0.487	51%	0.514	S	S	.	.			trans	-79.8	93.2	-175.9	-68.2	-52.4	0	0	0	112.4	T339 A343	T339-D341 VanDerWaalsContact C-N 3.28Å; T339-D341 PolarHBondContact O-N 3.26Å; D341-A343 VanDerWaalsContact C-N 3.27Å; D341-A343 PolarHBondContact O-N 2.94Å
342	K	40.9	Very low	58.6	Low	145 Å²	145	84.9 Å²	84.9	63%	0.63	48%	0.481	S	S	*	.			trans	-70.9	74.5	177.1	-65.6	-171	178.7	-172	0	112.4	S340 C344	S340-K342 PolarHBondContact O-N 2.73Å; S340-K342 VanDerWaalsContact O-N 3.1Å; K342-C344 PolarHBondContact O-N 3.43Å
343	A	53.9	Low	61.5	Low	43 Å²	43	81.8 Å²	81.8	36%	0.355	48%	0.476	S	S	.	.			trans	-61	124.6	168.8	0	0	0	0	0	110.7	D341 L345	D341-A343 VanDerWaalsContact C-N 3.27Å; D341-A343 PolarHBondContact O-N 2.94Å; A343-L345 PolarHBondContact O-N 2.83Å
344	C	69.7	Low	64.4	Low	103 Å²	103	79 Å²	79	70%	0.696	47%	0.471	S	S	*	.			trans	-82.3	110.1	177.7	-168.8	0	0	0	0	109.7	K342	K342-C344 PolarHBondContact O-N 3.43Å
345	L	80	Confident	67	Low	39 Å²	39	78 Å²	78	20%	0.204	47%	0.474	C	S	.	.			trans	-64.2	137.3	179.3	-68.7	177.4	0	0	0	111.3	Y334 A343 V349 V351 V517	Y334-L345 HydrophobicContact CD2-CD1 3.66Å; Y334-L345 HydrophobicContact CE2-CD1 3.97Å; Y334-L345 HydrophobicContact CG-CD1 4.35Å; A343-L345 PolarHBondContact O-N 2.83Å; L345-V349 HydrophobicContact CB-CB 4.5Å; L345-V349 HydrophobicContact CD1-CG1 4.47Å; L345-V351 HydrophobicContact CD1-CG2 3.72Å; L345-V517 HydrophobicContact CD2-CG1 4.22Å
346	P	84.1	Confident	70	Confident	31 Å²	31	77.3 Å²	77.3	20%	0.201	47%	0.472	C	S	.	.			trans	-57	147.1	176.5	-26.9	34.9	0	0	0	113.2	R348 V349 A521	P346-R348 PolarHBondContact O-N 2.68Å; P346-V349 HydrophobicContact CB-CG2 4.03Å; P346-V349 HydrophobicContact CG-CG2 4.34Å; P346-V349 WeakPolarHBondContact O-CB 3.36Å; P346-V349 WeakPolarHBondContact O-CG2 3.34Å; P346-V349 PolarHBondContact O-N 2.77Å; P346-A521 HydrophobicContact CB-CB 3.8Å; P346-A521 HydrophobicContact CG-CB 3.76Å
347	P	87.1	Confident	72.9	Confident	131 Å²	131	79.6 Å²	79.6	85%	0.851	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-8.3	-162.9	26.4	-36.5	0	0	0	116.1
348	R	92.9	Very high	75.7	Confident	93 Å²	93	73.5 Å²	73.5	35%	0.351	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	9.5	173.6	-66.1	-165	-178.5	-132.7	-7.6	113.8	P346 H350 P525 K526 A527 H528 I529	P346-R348 PolarHBondContact O-N 2.68Å; R348-H350 PolarHBondContact O-CD2 2.68Å; R348-H350 VanDerWaalsContact O-CD2 3.3Å; R348-P525 WeakPolarHBondContact CD-O 3.5Å; R348-K526 WeakPolarHBondContact CD-O 3.27Å; R348-K526 PolarHBondContact NE-O 3.26Å; R348-K526 PolarHBondContact NH1-O 2.86Å; R348-A527 VanDerWaalsContact CB-O 3.27Å; R348-A527 WeakPolarHBondContact CB-O 3.42Å; R348-A527 WeakPolarHBondContact CD-O 3.13Å; R348-H528 PolarHBondContact NH1-NE2 2.95Å; R348-I529 PolarHBondContact O-N 2.97Å
349	V	94.9	Very high	78.6	Confident	17 Å²	17	73.5 Å²	73.5	10%	0.103	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	115.9	176.2	-176.1	0	0	0	0	110.5	L345 P346 V351 V517 A521 I529	L345-V349 HydrophobicContact CB-CB 4.5Å; L345-V349 HydrophobicContact CD1-CG1 4.47Å; P346-V349 HydrophobicContact CB-CG2 4.03Å; P346-V349 HydrophobicContact CG-CG2 4.34Å; P346-V349 WeakPolarHBondContact O-CB 3.36Å; P346-V349 WeakPolarHBondContact O-CG2 3.34Å; P346-V349 PolarHBondContact O-N 2.77Å; V349-V351 HydrophobicContact CG1-CG2 4.17Å; V349-V517 HydrophobicContact CB-CG1 4.45Å; V349-V517 HydrophobicContact CG1-CG1 3.85Å; V349-V517 HydrophobicContact CG2-CG1 3.78Å; V349-A521 HydrophobicContact CG2-CB 4.3Å; V349-I529 HydrophobicContact CG1-CG2 4.47Å; V349-I529 HydrophobicContact CG2-CB 4.24Å; V349-I529 HydrophobicContact CG2-CD1 4.26Å
350	H	96	Very high	81.7	Confident	64 Å²	64	70.4 Å²	70.4	30%	0.296	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	86.2	-175.2	-58.9	-78.4	0	0	0	110.7	R348 L393 H528 I529 V530 T531	R348-H350 PolarHBondContact O-CD2 2.68Å; R348-H350 VanDerWaalsContact O-CD2 3.3Å; H350-L393 WeakPolarHBondContact NE2-CD2 3.3Å; H350-H528 AromaticContact CD2-ND1 3.86Å; H350-H528 AromaticContact NE2-CE1 3.85Å; H350-H528 AromaticContact NE2-ND1 3.25Å; H350-H528 PolarHBondContact NE2-ND1 2.88Å; H350-I529 PolarHBondContact N-O 2.96Å; H350-V530 HydrophobicContact CB-CG1 4.32Å; H350-V530 HydrophobicContact CB-CG2 4.34Å; H350-V530 WeakPolarHBondContact O-CA 3.49Å; H350-T531 PolarHBondContact O-N 3.31Å; H350-T531 VanDerWaalsContact O-N 3.11Å
351	V	95.9	Very high	84.9	Confident	9 Å²	9	65.5 Å²	65.5	6%	0.055	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	128.6	172	-171.3	0	0	0	0	109.4	Y334 L345 V349 T531 V534	Y334-V351 HydrophobicContact CD1-CG1 4.36Å; Y334-V351 HydrophobicContact CE1-CB 3.74Å; Y334-V351 HydrophobicContact CE1-CG1 3.72Å; Y334-V351 HydrophobicContact CE2-CB 4.27Å; Y334-V351 PolarHBondContact OH-O 2.91Å; L345-V351 HydrophobicContact CD1-CG2 3.72Å; V349-V351 HydrophobicContact CG1-CG2 4.17Å; V351-T531 CarbonylContact C-O 3.57Å; V351-T531 VanDerWaalsContact CA-O 3.29Å; V351-T531 WeakPolarHBondContact CA-O 3.31Å; V351-T531 HydrophobicContact CB-CG2 4.49Å; V351-T531 HydrophobicContact CG1-CG2 4.43Å; V351-T531 HydrophobicContact CG2-CG2 3.91Å; V351-V534 HydrophobicContact CG2-CG2 3.64Å
352	L	95.5	Very high	87.7	Confident	15 Å²	15	61.7 Å²	61.7	8%	0.079	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-66	151.9	-180	-79.2	77.7	0	0	0	111.1	S354 P385 L386 A389 V530 T531 T532	L352-S354 PolarHBondContact O-N 3.17Å; L352-P385 HydrophobicContact CD2-CB 4.28Å; L352-L386 HydrophobicContact CD1-CD1 4.01Å; L352-A389 HydrophobicContact CD1-CB 3.84Å; L352-A389 HydrophobicContact CD2-CB 3.84Å; L352-A389 HydrophobicContact CG-CB 3.92Å; L352-V530 HydrophobicContact CD1-CG1 3.65Å; L352-T531 WeakPolarHBondContact CD1-O 3.44Å; L352-T531 PolarHBondContact N-O 3.42Å; L352-T532 HydrophobicContact CD1-CG2 4.29Å; L352-T532 HydrophobicContact CD2-CG2 4.23Å
353	P	93.4	Very high	90.4	Very high	79 Å²	79	59.2 Å²	59.2	51%	0.513	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-60	132.6	-178.1	-24.5	34.6	0	0	0	112.6	T355 R358	P353-T355 VanDerWaalsContact C-N 3.32Å; P353-T355 PolarHBondContact O-N 3.1Å; P353-R358 PolarHBondContact O-NH1 3.25Å
354	S	89.6	Confident	92.4	Very high	77 Å²	77	60 Å²	60	54%	0.538	35%	0.35	S	S	.	.			trans	-78.6	78.3	179.9	-160.3	0	0	0	0	110.9	L352 L359	L352-S354 PolarHBondContact O-N 3.17Å; S354-L359 WeakPolarHBondContact OG-CD2 3.44Å; S354-L359 WeakPolarHBondContact OG-CG 3.45Å
355	T	95.2	Very high	93.7	Very high	61 Å²	61	55.1 Å²	55.1	37%	0.374	32%	0.317	S	S	.	.			trans	-79.7	155	175.9	65.4	0	0	0	0	110.7	P353 Q357 R358 L359	P353-T355 VanDerWaalsContact C-N 3.32Å; P353-T355 PolarHBondContact O-N 3.1Å; T355-Q357 PolarHBondContact O-N 3.2Å; T355-Q357 VanDerWaalsContact O-N 3.15Å; T355-R358 PolarHBondContact O-N 3.09Å; T355-R358 WeakPolarHBondContact OG1-CB 3.35Å; T355-R358 PolarHBondContact OG1-N 3.49Å; T355-L359 PolarHBondContact O-N 2.85Å
356	P	95.9	Very high	94.4	Very high	115 Å²	115	56 Å²	56	75%	0.747	32%	0.318	S	S	*	.	H	α-helix	trans	-53.3	-36.2	175.2	-28.7	36.2	0	0	0	113.4	L359 G360	P356-L359 PolarHBondContact O-N 3.5Å; P356-G360 PolarHBondContact O-N 3.17Å
357	Q	96	Very high	95	Very high	115 Å²	115	57.1 Å²	57.1	54%	0.537	32%	0.322	S	S	.	.	H	α-helix	trans	-67.6	-39.8	175	-175.2	60.3	56.7	0	0	113	T355 L361	T355-Q357 PolarHBondContact O-N 3.2Å; T355-Q357 VanDerWaalsContact O-N 3.15Å; Q357-L361 HydrophobicContact CG-CD1 4.45Å; Q357-L361 VanDerWaalsContact O-CG 3.29Å; Q357-L361 WeakPolarHBondContact O-CG 3.33Å; Q357-L361 PolarHBondContact O-N 3.04Å
358	R	95.7	Very high	95.3	Very high	31 Å²	31	59.7 Å²	59.7	12%	0.117	32%	0.322	C	S	.	.	H	α-helix	trans	-69.4	-39	175.8	175.1	165.4	-71.4	109.8	5.8	111.2	P353 T355 H362 L382	P353-R358 PolarHBondContact O-NH1 3.25Å; T355-R358 PolarHBondContact O-N 3.09Å; T355-R358 WeakPolarHBondContact OG1-CB 3.35Å; T355-R358 PolarHBondContact OG1-N 3.49Å; R358-H362 WeakPolarHBondContact O-CB 3.34Å; R358-H362 PolarHBondContact O-CD2 2.85Å; R358-H362 VanDerWaalsContact O-CD2 3.31Å; R358-H362 PolarHBondContact O-N 3.47Å; R358-L382 HydrophobicContact CG-CD2 4Å
359	L	95.1	Very high	95.4	Very high	76 Å²	76	60 Å²	60	40%	0.398	34%	0.339	S	S	.	.	H	α-helix	trans	-61.3	-49.5	172.6	-75.3	168.6	0	0	0	111.4	S354 T355 P356 L361 H362 T363	S354-L359 WeakPolarHBondContact OG-CD2 3.44Å; S354-L359 WeakPolarHBondContact OG-CG 3.45Å; T355-L359 PolarHBondContact O-N 2.85Å; P356-L359 PolarHBondContact O-N 3.5Å; L359-L361 PolarHBondContact O-N 3.35Å; L359-H362 CarbonylContact O-C 3.23Å; L359-H362 WeakPolarHBondContact O-CA 3.42Å; L359-H362 WeakPolarHBondContact O-CB 3.15Å; L359-H362 PolarHBondContact O-N 2.99Å; L359-H362 VanDerWaalsContact O-N 3.09Å; L359-T363 PolarHBondContact O-N 3.25Å; L359-T363 PolarHBondContact O-OG1 3.28Å
360	G	96.6	Very high	95.4	Very high	29 Å²	29	60 Å²	60	30%	0.299	34%	0.339	S	S	.	.	H	α-helix	trans	-59	-44	177.3	0	0	0	0	0	113.3	P356 H362 T363 L364	P356-G360 PolarHBondContact O-N 3.17Å; G360-H362 VanDerWaalsContact C-N 3.34Å; G360-H362 PolarHBondContact O-N 2.98Å; G360-T363 PolarHBondContact O-N 3.28Å; G360-L364 WeakPolarHBondContact O-CD1 3.28Å; G360-L364 WeakPolarHBondContact O-CG 3.37Å; G360-L364 PolarHBondContact O-N 3.41Å; G360-L364 VanDerWaalsContact O-N 3.09Å
361	L	97	Very high	95.3	Very high	11 Å²	11	61.5 Å²	61.5	6%	0.058	35%	0.349	C	S	.	.	H	α-helix	trans	-61.9	-40.5	173.2	-71	170.3	0	0	0	112.1	Q357 L359 L364 I365 Y378 R381 L382	Q357-L361 HydrophobicContact CG-CD1 4.45Å; Q357-L361 VanDerWaalsContact O-CG 3.29Å; Q357-L361 WeakPolarHBondContact O-CG 3.33Å; Q357-L361 PolarHBondContact O-N 3.04Å; L359-L361 PolarHBondContact O-N 3.35Å; L361-L364 PolarHBondContact O-N 2.69Å; L361-I365 PolarHBondContact O-N 3.1Å; L361-I365 VanDerWaalsContact O-N 3.1Å; L361-Y378 HydrophobicContact CD2-CD1 3.54Å; L361-Y378 HydrophobicContact CD2-CE1 4.45Å; L361-Y378 HydrophobicContact CD2-CG 4.17Å; L361-R381 HydrophobicContact CD1-CB 4.2Å; L361-R381 HydrophobicContact CD2-CB 4.28Å; L361-L382 HydrophobicContact CB-CD1 3.97Å; L361-L382 HydrophobicContact CB-CD2 3.78Å; L361-L382 HydrophobicContact CB-CG 3.79Å; L361-L382 HydrophobicContact CD1-CD2 3.99Å; L361-L382 HydrophobicContact CD1-CG 4.17Å
362	H	96.4	Very high	95.2	Very high	11 Å²	11	65.2 Å²	65.2	5%	0.051	37%	0.366	C	S	.	.	H	α-helix	trans	-64.5	-42	173.8	-89.5	-64	0	0	0	112.4	R358 L359 G360 L364 I365 R366 T532	R358-H362 WeakPolarHBondContact O-CB 3.34Å; R358-H362 PolarHBondContact O-CD2 2.85Å; R358-H362 VanDerWaalsContact O-CD2 3.31Å; R358-H362 PolarHBondContact O-N 3.47Å; L359-H362 CarbonylContact O-C 3.23Å; L359-H362 WeakPolarHBondContact O-CA 3.42Å; L359-H362 WeakPolarHBondContact O-CB 3.15Å; L359-H362 PolarHBondContact O-N 2.99Å; L359-H362 VanDerWaalsContact O-N 3.09Å; G360-H362 VanDerWaalsContact C-N 3.34Å; G360-H362 PolarHBondContact O-N 2.98Å; H362-L364 VanDerWaalsContact C-N 3.28Å; H362-L364 PolarHBondContact O-N 2.7Å; H362-I365 PolarHBondContact O-N 2.87Å; H362-R366 VanDerWaalsContact O-CB 3.24Å; H362-R366 WeakPolarHBondContact O-CB 3.5Å; H362-R366 WeakPolarHBondContact O-CG 3.23Å; H362-R366 PolarHBondContact O-N 2.83Å; H362-T532 PolarHBondContact CE1-OG1 3.23Å; H362-T532 WeakPolarHBondContact NE2-CB 3.26Å; H362-T532 PolarHBondContact NE2-OG1 2.94Å
363	T	96.9	Very high	95.1	Very high	93 Å²	93	71 Å²	71	57%	0.571	40%	0.397	S	S	*	.	H	α-helix	trans	-56.6	-44.7	175	-58.5	0	0	0	0	111.1	L359 G360 R366 D367	L359-T363 PolarHBondContact O-N 3.25Å; L359-T363 PolarHBondContact O-OG1 3.28Å; G360-T363 PolarHBondContact O-N 3.28Å; T363-R366 PolarHBondContact O-N 3.14Å; T363-D367 WeakPolarHBondContact O-CB 3.25Å; T363-D367 PolarHBondContact O-N 3.35Å
364	L	96.7	Very high	95.2	Very high	60 Å²	60	68.1 Å²	68.1	31%	0.314	38%	0.38	S	S	.	.	H	α-helix	trans	-66.3	-44.5	-179.2	-68.1	158.9	0	0	0	112.6	G360 L361 H362 R366 T370 Y378	G360-L364 WeakPolarHBondContact O-CD1 3.28Å; G360-L364 WeakPolarHBondContact O-CG 3.37Å; G360-L364 PolarHBondContact O-N 3.41Å; G360-L364 VanDerWaalsContact O-N 3.09Å; L361-L364 PolarHBondContact O-N 2.69Å; H362-L364 VanDerWaalsContact C-N 3.28Å; H362-L364 PolarHBondContact O-N 2.7Å; L364-R366 VanDerWaalsContact C-N 3.26Å; L364-R366 PolarHBondContact O-N 2.82Å; L364-T370 WeakPolarHBondContact O-CB 3.45Å; L364-T370 PolarHBondContact O-OG1 3.23Å; L364-Y378 HydrophobicContact CB-CD2 3.63Å; L364-Y378 HydrophobicContact CB-CE2 4.08Å; L364-Y378 HydrophobicContact CB-CG 4.03Å; L364-Y378 HydrophobicContact CD1-CD1 3.97Å; L364-Y378 HydrophobicContact CD1-CD2 3.95Å; L364-Y378 HydrophobicContact CD1-CE1 3.82Å; L364-Y378 HydrophobicContact CD1-CE2 3.82Å; L364-Y378 HydrophobicContact CD1-CG 4.04Å; L364-Y378 HydrophobicContact CD2-CD2 4.43Å; L364-Y378 HydrophobicContact CD2-CE2 4.01Å; L364-Y378 HydrophobicContact CG-CD2 4.2Å; L364-Y378 HydrophobicContact CG-CE2 4.19Å
365	I	96.1	Very high	95.5	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-73.6	-16.7	175.4	67	159.2	0	0	0	113.5	L361 H362 F375 A379 L382 I511 V548 R554	L361-I365 PolarHBondContact O-N 3.1Å; L361-I365 VanDerWaalsContact O-N 3.1Å; H362-I365 PolarHBondContact O-N 2.87Å; I365-F375 HydrophobicContact CB-CD2 4.06Å; I365-F375 HydrophobicContact CB-CE2 3.94Å; I365-F375 HydrophobicContact CG2-CD2 4.31Å; I365-F375 HydrophobicContact CG2-CE2 4.49Å; I365-F375 WeakPolarHBondContact O-CE2 3.42Å; I365-A379 HydrophobicContact CG2-CB 4.09Å; I365-L382 HydrophobicContact CD1-CD1 3.68Å; I365-L382 HydrophobicContact CG1-CD1 4.15Å; I365-I511 HydrophobicContact CD1-CD1 4.3Å; I365-V548 HydrophobicContact CD1-CG1 4.27Å; I365-V548 HydrophobicContact CG1-CG1 4.32Å; I365-V548 WeakPolarHBondContact O-CG1 3.5Å; I365-R554 PolarHBondContact O-NH1 3.04Å; I365-R554 VanDerWaalsContact O-NH1 3.1Å
366	R	96.2	Very high	95.5	Very high	59 Å²	59	63 Å²	63	22%	0.223	35%	0.345	C	S	.	.	H	α-helix	trans	-86.8	-33.2	176.4	-72.2	177.6	-177.9	-78.6	7.1	112.9	H362 T363 L364 Q368 D535 G547 V548	H362-R366 VanDerWaalsContact O-CB 3.24Å; H362-R366 WeakPolarHBondContact O-CB 3.5Å; H362-R366 WeakPolarHBondContact O-CG 3.23Å; H362-R366 PolarHBondContact O-N 2.83Å; T363-R366 PolarHBondContact O-N 3.14Å; L364-R366 VanDerWaalsContact C-N 3.26Å; L364-R366 PolarHBondContact O-N 2.82Å; R366-Q368 PolarHBondContact O-N 2.97Å; R366-D535 IonicContact CZ-OD1 2.69Å; R366-D535 IonicContact CZ-OD2 3.69Å; R366-D535 IonicContact NH1-OD1 3.23Å; R366-D535 PolarHBondContact NH1-OD1 3.39Å; R366-D535 IonicContact NH1-OD2 3.83Å; R366-D535 PolarHBondContact NH1-OD2 2.92Å; R366-D535 VanDerWaalsContact NH2-CG 3.28Å; R366-D535 IonicContact NH2-OD1 3.16Å; R366-D535 PolarHBondContact NH2-OD1 3.21Å; R366-D535 IonicContact NH2-OD2 2.69Å; R366-D535 PolarHBondContact NH2-OD2 3.36Å; R366-G547 WeakPolarHBondContact CG-O 3.42Å; R366-G547 PolarHBondContact NH1-O 3.15Å; R366-V548 HydrophobicContact CB-CG1 4.44Å; R366-V548 HydrophobicContact CG-CG1 3.68Å
367	D	96	Very high	95.5	Very high	54 Å²	54	62.5 Å²	62.5	29%	0.289	33%	0.332	S	S	.	.			trans	-58.3	136.3	176.4	170.2	41.6	0	0	0	111.3	T363 S369 T370 R554	T363-D367 WeakPolarHBondContact O-CB 3.25Å; T363-D367 PolarHBondContact O-N 3.35Å; D367-S369 VanDerWaalsContact CG-N 3.28Å; D367-S369 PolarHBondContact OD1-N 3.03Å; D367-S369 PolarHBondContact OD1-OG 2.85Å; D367-S369 WeakPolarHBondContact OD2-CA 3.15Å; D367-S369 WeakPolarHBondContact OD2-CB 3.41Å; D367-S369 PolarHBondContact OD2-N 3.11Å; D367-S369 PolarHBondContact OD2-OG 3.31Å; D367-T370 PolarHBondContact OD2-N 3.37Å; D367-T370 PolarHBondContact OD2-OG1 3.36Å; D367-R554 PolarHBondContact O-NH1 3.4Å; D367-R554 PolarHBondContact O-NH2 3.03Å
368	Q	94.1	Very high	95.5	Very high	184 Å²	184	60 Å²	60	86%	0.86	32%	0.317	S	S	*	.	S	Bend	trans	-78.1	-22.2	177.2	67.7	-177.9	15.1	0	0	112.7	R366	R366-Q368 PolarHBondContact O-N 2.97Å
369	S	94.4	Very high	95.5	Very high	99 Å²	99	58.5 Å²	58.5	69%	0.692	31%	0.312	S	S	*	.	S	Bend	trans	-83.8	-13	-179.3	83.1	0	0	0	0	114	D367 D371	D367-S369 VanDerWaalsContact CG-N 3.28Å; D367-S369 PolarHBondContact OD1-N 3.03Å; D367-S369 PolarHBondContact OD1-OG 2.85Å; D367-S369 WeakPolarHBondContact OD2-CA 3.15Å; D367-S369 WeakPolarHBondContact OD2-CB 3.41Å; D367-S369 PolarHBondContact OD2-N 3.11Å; D367-S369 PolarHBondContact OD2-OG 3.31Å; S369-D371 PolarHBondContact O-N 2.86Å
370	T	94.5	Very high	95.5	Very high	19 Å²	19	59 Å²	59	12%	0.117	31%	0.312	C	S	.	.			trans	-72	118.7	177.3	-65.9	0	0	0	0	110.8	L364 D367 A374 F375 R554	L364-T370 WeakPolarHBondContact O-CB 3.45Å; L364-T370 PolarHBondContact O-OG1 3.23Å; D367-T370 PolarHBondContact OD2-N 3.37Å; D367-T370 PolarHBondContact OD2-OG1 3.36Å; T370-A374 HydrophobicContact CG2-CB 3.74Å; T370-F375 HydrophobicContact CG2-CB 4.34Å; T370-R554 PolarHBondContact O-NH2 2.72Å
371	D	93.9	Very high	95.5	Very high	95 Å²	95	62.7 Å²	62.7	51%	0.508	32%	0.317	S	S	.	.			trans	-64.1	171.6	-179.3	66.3	75.8	0	0	0	113.8	S369 D373 A374 F375	S369-D371 PolarHBondContact O-N 2.86Å; D371-D373 PolarHBondContact OD1-N 3.45Å; D371-A374 WeakPolarHBondContact OD1-CB 3.24Å; D371-A374 PolarHBondContact OD1-N 3.09Å; D371-F375 WeakPolarHBondContact O-CB 3.47Å; D371-F375 PolarHBondContact O-N 3.36Å
372	Q	93.1	Very high	95.5	Very high	87 Å²	87	62.2 Å²	62.2	41%	0.407	32%	0.315	S	S	.	.	H	α-helix	trans	-64	-45.1	-175.4	-178.8	174.3	-0.4	0	0	113.1	F375 V376 Y555 F556 G557	Q372-F375 PolarHBondContact O-N 3.18Å; Q372-V376 HydrophobicContact CG-CG2 4.38Å; Q372-V376 WeakPolarHBondContact O-CB 3.31Å; Q372-V376 VanDerWaalsContact O-CG2 3.31Å; Q372-V376 WeakPolarHBondContact O-CG2 3.47Å; Q372-V376 PolarHBondContact O-N 3.3Å; Q372-Y555 PolarHBondContact NE2-O 3.33Å; Q372-F556 VanDerWaalsContact NE2-C 3.33Å; Q372-G557 VanDerWaalsContact NE2-N 3.11Å
373	D	94.3	Very high	95.5	Very high	135 Å²	135	61.8 Å²	61.8	72%	0.722	31%	0.313	S	S	*	.	H	α-helix	trans	-67.7	-42.5	-175.8	-72.2	-22.4	0	0	0	110.5	D371 F377	D371-D373 PolarHBondContact OD1-N 3.45Å; D373-F377 VanDerWaalsContact O-CB 3.3Å; D373-F377 WeakPolarHBondContact O-CB 3.32Å; D373-F377 PolarHBondContact O-N 3.25Å
374	A	95.7	Very high	95.4	Very high	19 Å²	19	62 Å²	62	16%	0.157	30%	0.303	C	S	.	.	H	α-helix	trans	-63.2	-44.9	172.2	0	0	0	0	0	111.9	T370 D371 F377 Y378	T370-A374 HydrophobicContact CG2-CB 3.74Å; D371-A374 WeakPolarHBondContact OD1-CB 3.24Å; D371-A374 PolarHBondContact OD1-N 3.09Å; A374-F377 PolarHBondContact O-N 2.95Å; A374-Y378 HydrophobicContact CB-CD2 4.26Å; A374-Y378 HydrophobicContact CB-CE2 3.97Å; A374-Y378 WeakPolarHBondContact O-CB 3.41Å; A374-Y378 WeakPolarHBondContact O-CD2 3.44Å; A374-Y378 PolarHBondContact O-N 3.49Å
375	F	96.2	Very high	95.4	Very high	1 Å²	1	61 Å²	61	0%	0.004	30%	0.3	C	S	.	.	H	α-helix	trans	-59.3	-47.8	177.5	177.8	-90.6	0	0	0	111.6	I365 T370 D371 Q372 A379 F551 R554 Y555	I365-F375 HydrophobicContact CB-CD2 4.06Å; I365-F375 HydrophobicContact CB-CE2 3.94Å; I365-F375 HydrophobicContact CG2-CD2 4.31Å; I365-F375 HydrophobicContact CG2-CE2 4.49Å; I365-F375 WeakPolarHBondContact O-CE2 3.42Å; T370-F375 HydrophobicContact CG2-CB 4.34Å; D371-F375 WeakPolarHBondContact O-CB 3.47Å; D371-F375 PolarHBondContact O-N 3.36Å; Q372-F375 PolarHBondContact O-N 3.18Å; F375-A379 WeakPolarHBondContact O-CB 3.34Å; F375-A379 PolarHBondContact O-N 3.13Å; F375-F551 HydrophobicContact CE1-CD2 4.46Å; F375-F551 HydrophobicContact CE1-CE1 4.32Å; F375-F551 HydrophobicContact CE1-CE2 4.19Å; F375-F551 HydrophobicContact CE1-CZ 4.11Å; F375-F551 AromaticContact CZ-CD2 3.78Å; F375-F551 HydrophobicContact CZ-CD2 3.78Å; F375-F551 AromaticContact CZ-CE2 3.75Å; F375-F551 HydrophobicContact CZ-CE2 3.75Å; F375-F551 HydrophobicContact CZ-CG 4.22Å; F375-F551 HydrophobicContact CZ-CZ 4.14Å; F375-R554 HydrophobicContact CD1-CB 4.01Å; F375-R554 HydrophobicContact CD2-CB 4.41Å; F375-R554 HydrophobicContact CE1-CB 3.67Å; F375-R554 HydrophobicContact CE2-CB 4.09Å; F375-R554 HydrophobicContact CG-CB 4.38Å; F375-R554 HydrophobicContact CZ-CB 3.71Å; F375-Y555 HydrophobicContact CD1-CD2 4.4Å; F375-Y555 HydrophobicContact CE1-CD2 4.12Å
376	V	95.2	Very high	95.4	Very high	30 Å²	30	61 Å²	61	18%	0.182	30%	0.3	C	S	.	.	H	α-helix	trans	-59.7	-51.8	175.8	169.3	0	0	0	0	110.4	Q372 Y378 A379 E380 Y555	Q372-V376 HydrophobicContact CG-CG2 4.38Å; Q372-V376 WeakPolarHBondContact O-CB 3.31Å; Q372-V376 VanDerWaalsContact O-CG2 3.31Å; Q372-V376 WeakPolarHBondContact O-CG2 3.47Å; Q372-V376 PolarHBondContact O-N 3.3Å; V376-Y378 PolarHBondContact O-N 2.83Å; V376-A379 PolarHBondContact O-N 2.66Å; V376-E380 HydrophobicContact CG1-CG 4.43Å; V376-E380 PolarHBondContact O-N 2.89Å; V376-Y555 HydrophobicContact CB-CE2 4.23Å; V376-Y555 HydrophobicContact CG1-CE2 4.04Å; V376-Y555 HydrophobicContact CG2-CD1 4.36Å; V376-Y555 HydrophobicContact CG2-CD2 3.91Å; V376-Y555 HydrophobicContact CG2-CE1 4.4Å; V376-Y555 HydrophobicContact CG2-CE2 3.96Å; V376-Y555 HydrophobicContact CG2-CG 4.13Å
377	F	95.7	Very high	95.5	Very high	105 Å²	105	58.2 Å²	58.2	46%	0.461	29%	0.29	S	S	.	.	H	α-helix	trans	-58.5	-44.2	-179.7	172.4	-109.4	0	0	0	113.4	D373 A374 R381	D373-F377 VanDerWaalsContact O-CB 3.3Å; D373-F377 WeakPolarHBondContact O-CB 3.32Å; D373-F377 PolarHBondContact O-N 3.25Å; A374-F377 PolarHBondContact O-N 2.95Å; F377-R381 WeakPolarHBondContact O-CD 3.4Å; F377-R381 VanDerWaalsContact O-CG 3.24Å; F377-R381 WeakPolarHBondContact O-CG 3.34Å; F377-R381 PolarHBondContact O-N 3.34Å
378	Y	96.3	Very high	95.5	Very high	61 Å²	61	59.5 Å²	59.5	24%	0.239	29%	0.294	C	S	.	.	H	α-helix	trans	-74.3	-31.4	178.3	-63.7	-50.4	0	0	0	112.6	L361 L364 A374 V376 L382	L361-Y378 HydrophobicContact CD2-CD1 3.54Å; L361-Y378 HydrophobicContact CD2-CE1 4.45Å; L361-Y378 HydrophobicContact CD2-CG 4.17Å; L364-Y378 HydrophobicContact CB-CD2 3.63Å; L364-Y378 HydrophobicContact CB-CE2 4.08Å; L364-Y378 HydrophobicContact CB-CG 4.03Å; L364-Y378 HydrophobicContact CD1-CD1 3.97Å; L364-Y378 HydrophobicContact CD1-CD2 3.95Å; L364-Y378 HydrophobicContact CD1-CE1 3.82Å; L364-Y378 HydrophobicContact CD1-CE2 3.82Å; L364-Y378 HydrophobicContact CD1-CG 4.04Å; L364-Y378 HydrophobicContact CD2-CD2 4.43Å; L364-Y378 HydrophobicContact CD2-CE2 4.01Å; L364-Y378 HydrophobicContact CG-CD2 4.2Å; L364-Y378 HydrophobicContact CG-CE2 4.19Å; A374-Y378 HydrophobicContact CB-CD2 4.26Å; A374-Y378 HydrophobicContact CB-CE2 3.97Å; A374-Y378 WeakPolarHBondContact O-CB 3.41Å; A374-Y378 WeakPolarHBondContact O-CD2 3.44Å; A374-Y378 PolarHBondContact O-N 3.49Å; V376-Y378 PolarHBondContact O-N 2.83Å; Y378-L382 PolarHBondContact O-N 3.25Å
379	A	95.7	Very high	95.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-69.3	-48.9	175.5	0	0	0	0	0	112.3	I365 F375 V376 R381 L382 M383 F551 Y555	I365-A379 HydrophobicContact CG2-CB 4.09Å; F375-A379 WeakPolarHBondContact O-CB 3.34Å; F375-A379 PolarHBondContact O-N 3.13Å; V376-A379 PolarHBondContact O-N 2.66Å; A379-R381 PolarHBondContact O-N 2.82Å; A379-L382 WeakPolarHBondContact O-CA 3.27Å; A379-L382 WeakPolarHBondContact O-CB 3.4Å; A379-L382 PolarHBondContact O-N 3.5Å; A379-M383 HydrophobicContact CB-CE 3.83Å; A379-M383 WeakPolarHBondContact O-CG 3.34Å; A379-M383 PolarHBondContact O-N 3.05Å; A379-F551 HydrophobicContact CB-CE2 4.32Å; A379-F551 HydrophobicContact CB-CZ 3.87Å; A379-Y555 HydrophobicContact CB-CE2 4.33Å
380	E	95	Very high	95.7	Very high	86 Å²	86	47.1 Å²	47.1	40%	0.402	23%	0.229	S	C	.	.	H	α-helix	trans	-55.8	-37.7	176.8	-73	-170	159.4	0	0	111.8	V376 L382 M383 R384 Y555	V376-E380 HydrophobicContact CG1-CG 4.43Å; V376-E380 PolarHBondContact O-N 2.89Å; E380-L382 VanDerWaalsContact C-N 3.25Å; E380-L382 PolarHBondContact O-N 2.69Å; E380-M383 PolarHBondContact O-N 3.35Å; E380-R384 PolarHBondContact O-N 3.39Å; E380-Y555 WeakPolarHBondContact CG-OH 3.38Å; E380-Y555 PolarHBondContact OE1-OH 3.33Å
381	R	95.8	Very high	95.7	Very high	107 Å²	107	47.3 Å²	47.3	40%	0.404	23%	0.229	S	C	.	.	H	α-helix	trans	-67	-19.1	175.2	-70.8	176.3	68.9	-170.7	1	114.4	L361 F377 A379 P385	L361-R381 HydrophobicContact CD1-CB 4.2Å; L361-R381 HydrophobicContact CD2-CB 4.28Å; F377-R381 WeakPolarHBondContact O-CD 3.4Å; F377-R381 VanDerWaalsContact O-CG 3.24Å; F377-R381 WeakPolarHBondContact O-CG 3.34Å; F377-R381 PolarHBondContact O-N 3.34Å; A379-R381 PolarHBondContact O-N 2.82Å; R381-P385 VanDerWaalsContact O-CD 3.25Å; R381-P385 WeakPolarHBondContact O-CD 3.4Å
382	L	96.3	Very high	95.8	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-88.9	-36.7	168.3	-72.2	168.5	0	0	0	112.2	R358 L361 I365 Y378 A379 E380 P385 L386 L510	R358-L382 HydrophobicContact CG-CD2 4Å; L361-L382 HydrophobicContact CB-CD1 3.97Å; L361-L382 HydrophobicContact CB-CD2 3.78Å; L361-L382 HydrophobicContact CB-CG 3.79Å; L361-L382 HydrophobicContact CD1-CD2 3.99Å; L361-L382 HydrophobicContact CD1-CG 4.17Å; I365-L382 HydrophobicContact CD1-CD1 3.68Å; I365-L382 HydrophobicContact CG1-CD1 4.15Å; Y378-L382 PolarHBondContact O-N 3.25Å; A379-L382 WeakPolarHBondContact O-CA 3.27Å; A379-L382 WeakPolarHBondContact O-CB 3.4Å; A379-L382 PolarHBondContact O-N 3.5Å; E380-L382 VanDerWaalsContact C-N 3.25Å; E380-L382 PolarHBondContact O-N 2.69Å; L382-P385 WeakPolarHBondContact O-CD 3.35Å; L382-L386 PolarHBondContact O-N 3.22Å; L382-L510 HydrophobicContact CB-CD2 3.71Å
383	M	96.6	Very high	95.9	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-62.7	-42.3	179.1	-64.1	179	-155	0	0	112.4	A379 E380 L386 C387 V431 L432 A435 L510 F551 Y555	A379-M383 HydrophobicContact CB-CE 3.83Å; A379-M383 WeakPolarHBondContact O-CG 3.34Å; A379-M383 PolarHBondContact O-N 3.05Å; E380-M383 PolarHBondContact O-N 3.35Å; M383-L386 WeakPolarHBondContact O-CA 3.33Å; M383-L386 WeakPolarHBondContact O-CB 3.44Å; M383-L386 PolarHBondContact O-N 3.47Å; M383-C387 PolarHBondContact O-N 2.73Å; M383-C387 PolarHBondContact O-SG 2.78Å; M383-V431 HydrophobicContact CE-CB 3.94Å; M383-V431 HydrophobicContact CE-CG2 3.6Å; M383-V431 HydrophobicContact SD-CB 4.45Å; M383-V431 HydrophobicContact SD-CG2 4.09Å; M383-L432 HydrophobicContact CB-CD2 3.87Å; M383-L432 HydrophobicContact CG-CD2 3.59Å; M383-L432 HydrophobicContact SD-CD2 4Å; M383-L432 HydrophobicContact SD-CG 4.37Å; M383-A435 HydrophobicContact CB-CB 3.62Å; M383-L510 HydrophobicContact CE-CD1 4.16Å; M383-L510 HydrophobicContact CG-CD1 4Å; M383-L510 HydrophobicContact CG-CD2 4.01Å; M383-L510 HydrophobicContact CG-CG 4.37Å; M383-F551 HydrophobicContact CE-CE1 4.2Å; M383-F551 HydrophobicContact CE-CZ 3.82Å; M383-Y555 HydrophobicContact CE-CD2 4.22Å; M383-Y555 HydrophobicContact CE-CE2 3.56Å
384	R	95.2	Very high	95.9	Very high	98 Å²	98	40.6 Å²	40.6	37%	0.37	20%	0.196	S	C	.	.	H	α-helix	trans	-57.9	-52.3	-176.9	175.9	68.2	-176.6	-140.1	18.9	112.7	E380 L386 C387 E388 A438	E380-R384 PolarHBondContact O-N 3.39Å; R384-L386 VanDerWaalsContact C-N 3.3Å; R384-L386 PolarHBondContact O-N 2.75Å; R384-C387 PolarHBondContact O-N 3.02Å; R384-E388 IonicContact CZ-OE1 2.73Å; R384-E388 IonicContact NE-OE1 2.77Å; R384-E388 PolarHBondContact NE-OE1 3.35Å; R384-E388 IonicContact NH2-OE1 3.19Å; R384-E388 PolarHBondContact NH2-OE1 3.43Å; R384-E388 WeakPolarHBondContact O-CG 3.37Å; R384-E388 PolarHBondContact O-N 2.94Å; R384-E388 VanDerWaalsContact O-N 3.15Å; R384-A438 VanDerWaalsContact CZ-O 3.28Å; R384-A438 VanDerWaalsContact NH1-C 3.27Å; R384-A438 PolarHBondContact NH1-O 3.38Å; R384-A438 PolarHBondContact NH2-O 2.87Å; R384-A438 VanDerWaalsContact NH2-O 3.07Å
385	P	96.4	Very high	95.9	Very high	40 Å²	40	42.1 Å²	42.1	26%	0.26	20%	0.204	S	C	.	.	H	α-helix	trans	-63.7	-27.5	171.3	-25.5	35.1	0	0	0	115.2	L352 R381 L382 A389	L352-P385 HydrophobicContact CD2-CB 4.28Å; R381-P385 VanDerWaalsContact O-CD 3.25Å; R381-P385 WeakPolarHBondContact O-CD 3.4Å; L382-P385 WeakPolarHBondContact O-CD 3.35Å; P385-A389 VanDerWaalsContact O-CB 3.3Å; P385-A389 WeakPolarHBondContact O-CB 3.46Å; P385-A389 PolarHBondContact O-N 2.98Å
386	L	97.3	Very high	95.8	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-67.1	-45.4	176.4	173.6	62.9	0	0	0	111	L352 L382 M383 R384 A389 A390 L432 I508 S509 L510 V530 T532	L352-L386 HydrophobicContact CD1-CD1 4.01Å; L382-L386 PolarHBondContact O-N 3.22Å; M383-L386 WeakPolarHBondContact O-CA 3.33Å; M383-L386 WeakPolarHBondContact O-CB 3.44Å; M383-L386 PolarHBondContact O-N 3.47Å; R384-L386 VanDerWaalsContact C-N 3.3Å; R384-L386 PolarHBondContact O-N 2.75Å; L386-A389 PolarHBondContact O-N 3.32Å; L386-A390 PolarHBondContact O-N 3.01Å; L386-L432 HydrophobicContact CD2-CD2 4.16Å; L386-I508 HydrophobicContact CD1-CB 4.26Å; L386-I508 HydrophobicContact CD2-CB 4.29Å; L386-I508 HydrophobicContact CG-CB 4.17Å; L386-I508 HydrophobicContact CG-CD1 4.49Å; L386-S509 WeakPolarHBondContact CD2-O 2.79Å; L386-L510 HydrophobicContact CD2-CD2 3.96Å; L386-L510 HydrophobicContact CD2-CG 4.32Å; L386-V530 HydrophobicContact CD1-CB 4.18Å; L386-V530 HydrophobicContact CD1-CG1 3.8Å; L386-T532 HydrophobicContact CB-CG2 3.93Å; L386-T532 HydrophobicContact CD1-CG2 4.19Å; L386-T532 HydrophobicContact CG-CG2 4.44Å
387	C	96.9	Very high	95.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-44.4	173.7	-63.5	0	0	0	0	111.4	M383 R384 A389 A390 M391 L436 V439	M383-C387 PolarHBondContact O-N 2.73Å; M383-C387 PolarHBondContact O-SG 2.78Å; R384-C387 PolarHBondContact O-N 3.02Å; C387-A389 VanDerWaalsContact C-N 3.34Å; C387-A389 PolarHBondContact O-N 2.93Å; C387-A390 WeakPolarHBondContact O-CB 3.43Å; C387-A390 PolarHBondContact O-N 2.97Å; C387-A390 VanDerWaalsContact O-N 3.16Å; C387-M391 WeakPolarHBondContact O-CG 3.28Å; C387-M391 PolarHBondContact O-N 3.24Å; C387-L436 HydrophobicContact CB-CD1 4.19Å; C387-V439 HydrophobicContact CB-CG2 4.08Å
388	E	96.2	Very high	95.8	Very high	80 Å²	80	45.7 Å²	45.7	37%	0.374	22%	0.223	S	C	.	.	H	α-helix	trans	-62.7	-38.3	176.7	-70	168.4	180	0	0	112.3	R384 A390 M391 N392 V439	R384-E388 IonicContact CZ-OE1 2.73Å; R384-E388 IonicContact NE-OE1 2.77Å; R384-E388 PolarHBondContact NE-OE1 3.35Å; R384-E388 IonicContact NH2-OE1 3.19Å; R384-E388 PolarHBondContact NH2-OE1 3.43Å; R384-E388 WeakPolarHBondContact O-CG 3.37Å; R384-E388 PolarHBondContact O-N 2.94Å; R384-E388 VanDerWaalsContact O-N 3.15Å; E388-A390 VanDerWaalsContact C-N 3.34Å; E388-A390 PolarHBondContact O-N 2.78Å; E388-M391 PolarHBondContact O-N 3.27Å; E388-N392 PolarHBondContact O-N 2.71Å; E388-N392 PolarHBondContact O-ND2 3.38Å; E388-V439 HydrophobicContact CG-CG1 4.17Å; E388-V439 HydrophobicContact CG-CG2 3.74Å
389	A	96.7	Very high	95.7	Very high	23 Å²	23	45.4 Å²	45.4	19%	0.19	23%	0.225	C	C	.	.	H	α-helix	trans	-64.8	-35.1	173.6	0	0	0	0	0	113	L352 P385 L386 C387 V530	L352-A389 HydrophobicContact CD1-CB 3.84Å; L352-A389 HydrophobicContact CD2-CB 3.84Å; L352-A389 HydrophobicContact CG-CB 3.92Å; P385-A389 VanDerWaalsContact O-CB 3.3Å; P385-A389 WeakPolarHBondContact O-CB 3.46Å; P385-A389 PolarHBondContact O-N 2.98Å; L386-A389 PolarHBondContact O-N 3.32Å; C387-A389 VanDerWaalsContact C-N 3.34Å; C387-A389 PolarHBondContact O-N 2.93Å; A389-V530 HydrophobicContact CB-CG1 4.04Å
390	A	96.5	Very high	95.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-70.1	-37.3	174.9	0	0	0	0	0	112.7	L386 C387 E388 N392 L393 I506 I508 V530	L386-A390 PolarHBondContact O-N 3.01Å; C387-A390 WeakPolarHBondContact O-CB 3.43Å; C387-A390 PolarHBondContact O-N 2.97Å; C387-A390 VanDerWaalsContact O-N 3.16Å; E388-A390 VanDerWaalsContact C-N 3.34Å; E388-A390 PolarHBondContact O-N 2.78Å; A390-N392 PolarHBondContact O-N 2.95Å; A390-L393 WeakPolarHBondContact O-CB 3.49Å; A390-L393 PolarHBondContact O-N 2.9Å; A390-L393 VanDerWaalsContact O-N 3.08Å; A390-I506 HydrophobicContact CB-CG2 4.09Å; A390-I508 HydrophobicContact CB-CG2 3.61Å; A390-V530 HydrophobicContact CB-CG2 4.39Å
391	M	94.8	Very high	95.7	Very high	23 Å²	23	50 Å²	50	11%	0.113	25%	0.251	C	S	.	.	H	α-helix	trans	-60.2	-31.2	176.2	-66	-61	-74.1	0	0	112.5	C387 E388 L393 L394 H396 L414 V439 C440 I476	C387-M391 WeakPolarHBondContact O-CG 3.28Å; C387-M391 PolarHBondContact O-N 3.24Å; E388-M391 PolarHBondContact O-N 3.27Å; M391-L393 PolarHBondContact O-N 2.81Å; M391-L393 VanDerWaalsContact O-N 3.16Å; M391-L394 HydrophobicContact CE-CD1 3.6Å; M391-L394 WeakPolarHBondContact O-CB 3.46Å; M391-L394 PolarHBondContact O-N 3.09Å; M391-L394 VanDerWaalsContact O-N 3.13Å; M391-L394 HydrophobicContact SD-CD1 3.63Å; M391-H396 PolarHBondContact O-CE1 2.77Å; M391-L414 HydrophobicContact CE-CD1 4.08Å; M391-V439 HydrophobicContact CG-CG1 3.76Å; M391-C440 HydrophobicContact CE-CB 4.39Å; M391-I476 HydrophobicContact SD-CD1 4Å
392	N	95.1	Very high	95.7	Very high	124 Å²	124	52.2 Å²	52.2	66%	0.663	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-16.5	176.4	-67.1	-44.3	0	0	0	114.2	E388 A390	E388-N392 PolarHBondContact O-N 2.71Å; E388-N392 PolarHBondContact O-ND2 3.38Å; A390-N392 PolarHBondContact O-N 2.95Å
393	L	95.4	Very high	95.7	Very high	47 Å²	47	54 Å²	54	25%	0.246	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-8.5	178.2	-56.3	178.9	0	0	0	113.1	H350 A390 M391 I506 H528 V530	H350-L393 WeakPolarHBondContact NE2-CD2 3.3Å; A390-L393 WeakPolarHBondContact O-CB 3.49Å; A390-L393 PolarHBondContact O-N 2.9Å; A390-L393 VanDerWaalsContact O-N 3.08Å; M391-L393 PolarHBondContact O-N 2.81Å; M391-L393 VanDerWaalsContact O-N 3.16Å; L393-I506 HydrophobicContact CB-CD1 4.07Å; L393-I506 HydrophobicContact CD1-CG2 4.08Å; L393-H528 HydrophobicContact CD1-CB 3.77Å; L393-V530 HydrophobicContact CD1-CG2 3.56Å
394	L	95.6	Very high	95.7	Very high	6 Å²	6	60.9 Å²	60.9	3%	0.031	32%	0.322	C	S	.	.	S	Bend	trans	-73.5	152.3	175.4	-61.7	175.5	0	0	0	111	M391 H396 L414 V420 F474 I506	M391-L394 HydrophobicContact CE-CD1 3.6Å; M391-L394 WeakPolarHBondContact O-CB 3.46Å; M391-L394 PolarHBondContact O-N 3.09Å; M391-L394 VanDerWaalsContact O-N 3.13Å; M391-L394 HydrophobicContact SD-CD1 3.63Å; L394-H396 PolarHBondContact O-N 3.17Å; L394-H396 PolarHBondContact O-ND1 2.81Å; L394-L414 HydrophobicContact CB-CD2 3.56Å; L394-L414 HydrophobicContact CD1-CD2 3.83Å; L394-L414 HydrophobicContact CG-CD2 4.37Å; L394-V420 HydrophobicContact CD1-CG1 4.45Å; L394-V420 HydrophobicContact CD1-CG2 3.74Å; L394-V420 HydrophobicContact CD2-CG2 4.28Å; L394-F474 HydrophobicContact CD2-CB 3.57Å; L394-F474 HydrophobicContact CD2-CD1 3.87Å; L394-F474 HydrophobicContact CD2-CD2 4.42Å; L394-F474 HydrophobicContact CD2-CG 3.69Å; L394-I506 HydrophobicContact CD2-CD1 4Å
395	P	95.1	Very high	95.7	Very high	50 Å²	50	64 Å²	64	33%	0.325	34%	0.34	S	S	.	.			trans	-63.8	124	177	26.6	-35.2	0	0	0	110.9	A415 T418 F474	P395-A415 HydrophobicContact CB-CB 4.06Å; P395-A415 HydrophobicContact CG-CB 4.35Å; P395-A415 WeakPolarHBondContact O-CB 3.5Å; P395-A415 PolarHBondContact O-N 2.86Å; P395-T418 HydrophobicContact CG-CG2 3.89Å; P395-F474 VanDerWaalsContact CD-CZ 3.44Å; P395-F474 HydrophobicContact CG-CE2 3.71Å; P395-F474 HydrophobicContact CG-CZ 3.68Å
396	H	94.1	Very high	95.5	Very high	82 Å²	82	64.3 Å²	64.3	38%	0.38	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	149.6	174.2	-73.2	76	0	0	0	110.3	M391 L394 K413	M391-H396 PolarHBondContact O-CE1 2.77Å; L394-H396 PolarHBondContact O-N 3.17Å; L394-H396 PolarHBondContact O-ND1 2.81Å; H396-K413 CarbonylContact C-O 3.59Å; H396-K413 VanDerWaalsContact CA-O 3.26Å; H396-K413 WeakPolarHBondContact CA-O 3.3Å
397	M	94.6	Very high	95.4	Very high	68 Å²	68	69.2 Å²	69.2	34%	0.335	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	143.9	169.4	58.3	179.9	42.6	0	0	110.2	R412 K413 A415	M397-R412 WeakPolarHBondContact O-CA 3.42Å; M397-K413 HydrophobicContact CG-CD 4.43Å; M397-K413 HydrophobicContact CG-CG 3.79Å; M397-K413 PolarHBondContact N-O 3.44Å; M397-K413 PolarHBondContact O-N 3.34Å; M397-K413 WeakPolarHBondContact SD-CE 3.43Å; M397-K413 HydrophobicContact SD-CG 4.48Å; M397-A415 HydrophobicContact CE-CB 3.94Å
398	D	95.3	Very high	95.4	Very high	62 Å²	62	74 Å²	74	33%	0.332	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	145.9	166.8	-70.9	11.4	0	0	0	109.4	R410 G411 R412	D398-R410 IonicContact OD2-CZ 2.64Å; D398-R410 VanDerWaalsContact OD2-CZ 3.29Å; D398-R410 IonicContact OD2-NE 2.81Å; D398-R410 PolarHBondContact OD2-NE 3.34Å; D398-R410 IonicContact OD2-NH2 3.9Å; D398-R410 PolarHBondContact OD2-NH2 3.01Å; D398-G411 WeakPolarHBondContact CA-O 3.39Å; D398-R412 IonicContact OD1-CZ 3.19Å; D398-R412 VanDerWaalsContact OD1-CZ 3.3Å; D398-R412 IonicContact OD1-NE 3.69Å; D398-R412 PolarHBondContact OD1-NE 2.99Å; D398-R412 IonicContact OD1-NH2 3.47Å; D398-R412 PolarHBondContact OD1-NH2 3.45Å
399	I	95.5	Very high	95.4	Very high	54 Å²	54	76.9 Å²	76.9	28%	0.277	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	127.3	173.6	-179.8	171	0	0	0	109.6	I401 G411 K413	I399-I401 HydrophobicContact CD1-CG2 4.07Å; I399-I401 HydrophobicContact CG1-CG2 3.96Å; I399-G411 PolarHBondContact N-O 3.19Å; I399-G411 CarbonylContact O-C 3.56Å; I399-G411 WeakPolarHBondContact O-CA 3.36Å; I399-G411 PolarHBondContact O-N 2.85Å; I399-K413 HydrophobicContact CB-CD 4.37Å; I399-K413 HydrophobicContact CB-CG 4.33Å; I399-K413 HydrophobicContact CD1-CD 3.88Å; I399-K413 HydrophobicContact CG2-CB 4.21Å; I399-K413 HydrophobicContact CG2-CD 4.19Å; I399-K413 HydrophobicContact CG2-CG 3.88Å
400	D	95.5	Very high	95.3	Very high	100 Å²	100	83.8 Å²	83.8	54%	0.535	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	127.4	168.4	-62	-41.6	0	0	0	109	T408 R410	D400-T408 HydrophobicContact CB-CG2 3.83Å; D400-R410 WeakPolarHBondContact OD1-CA 3.38Å; D400-R410 WeakPolarHBondContact OD1-CB 3.29Å; D400-R410 VanDerWaalsContact OD1-CG 3.23Å; D400-R410 WeakPolarHBondContact OD1-CG 3.47Å
401	I	94.5	Very high	95.3	Very high	83 Å²	83	84.4 Å²	84.4	43%	0.426	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	151.2	176.7	63	172	0	0	0	110.2	I399 T408 Y409	I399-I401 HydrophobicContact CD1-CG2 4.07Å; I399-I401 HydrophobicContact CG1-CG2 3.96Å; I401-T408 CarbonylContact O-C 3.56Å; I401-T408 WeakPolarHBondContact O-CA 3.04Å; I401-Y409 HydrophobicContact CD1-CD1 4.1Å; I401-Y409 HydrophobicContact CG1-CD1 4.01Å; I401-Y409 WeakPolarHBondContact CG1-O 3.48Å; I401-Y409 PolarHBondContact N-O 2.83Å; I401-Y409 PolarHBondContact O-N 2.8Å
402	E	96.1	Very high	95.2	Very high	154 Å²	154	92 Å²	92	72%	0.72	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	128.4	171.2	-164.1	176.9	169.7	0	0	109.8
403	T	95.5	Very high	95.1	Very high	39 Å²	39	90.2 Å²	90.2	24%	0.239	46%	0.456	C	S	.	.			trans	-79.4	161.7	172.3	60.2	0	0	0	0	110.8	Q405 G406 I407	T403-Q405 PolarHBondContact O-N 2.61Å; T403-G406 PolarHBondContact O-N 3.11Å; T403-I407 WeakPolarHBondContact CB-O 3.38Å; T403-I407 WeakPolarHBondContact CG2-O 3.46Å; T403-I407 PolarHBondContact N-O 2.86Å; T403-I407 PolarHBondContact OG1-N 2.86Å; T403-I407 PolarHBondContact OG1-O 2.87Å
404	P	96.6	Very high	94.9	Very high	146 Å²	146	91.1 Å²	91.1	95%	0.948	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-0.3	173.4	-25.1	35.6	0	0	0	116
405	Q	95.6	Very high	94.8	Very high	162 Å²	162	91.9 Å²	91.9	76%	0.757	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	3.9	175.2	-63.3	179.5	-9.4	0	0	112.8	T403 I407	T403-Q405 PolarHBondContact O-N 2.61Å; Q405-I407 HydrophobicContact CB-CD1 4.18Å; Q405-I407 HydrophobicContact CB-CG1 4.25Å; Q405-I407 PolarHBondContact O-N 2.78Å
406	G	92.7	Very high	94.4	Very high	48 Å²	48	94.8 Å²	94.8	50%	0.495	48%	0.484	S	S	.	.	S	Bend	trans	74.5	11.1	-174.3	0	0	0	0	0	114.2	T403	T403-G406 PolarHBondContact O-N 3.11Å
407	I	95.7	Very high	94.1	Very high	102 Å²	102	94.3 Å²	94.3	52%	0.523	50%	0.502	S	S	.	.			trans	-96.2	127.6	179.8	-57.6	171.4	0	0	0	108.9	T403 Q405 Y409	T403-I407 WeakPolarHBondContact CB-O 3.38Å; T403-I407 WeakPolarHBondContact CG2-O 3.46Å; T403-I407 PolarHBondContact N-O 2.86Å; T403-I407 PolarHBondContact OG1-N 2.86Å; T403-I407 PolarHBondContact OG1-O 2.87Å; Q405-I407 HydrophobicContact CB-CD1 4.18Å; Q405-I407 HydrophobicContact CB-CG1 4.25Å; Q405-I407 PolarHBondContact O-N 2.78Å; I407-Y409 PolarHBondContact O-N 3.33Å
408	T	95.6	Very high	94	Very high	101 Å²	101	92.8 Å²	92.8	62%	0.62	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	126	173.6	-48.3	0	0	0	0	111.1	D400 I401	D400-T408 HydrophobicContact CB-CG2 3.83Å; I401-T408 CarbonylContact O-C 3.56Å; I401-T408 WeakPolarHBondContact O-CA 3.04Å
409	Y	96.9	Very high	93.9	Very high	140 Å²	140	93.8 Å²	93.8	55%	0.549	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	124.2	174.5	173.6	-96.2	0	0	0	110.5	I401 I407 G411	I401-Y409 HydrophobicContact CD1-CD1 4.1Å; I401-Y409 HydrophobicContact CG1-CD1 4.01Å; I401-Y409 WeakPolarHBondContact CG1-O 3.48Å; I401-Y409 PolarHBondContact N-O 2.83Å; I401-Y409 PolarHBondContact O-N 2.8Å; I407-Y409 PolarHBondContact O-N 3.33Å; Y409-G411 PolarHBondContact O-N 3.02Å
410	R	95.5	Very high	93.9	Very high	169 Å²	169	92 Å²	92	64%	0.638	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	96.9	175.6	-175.1	160	170.9	168.5	-2.5	110.7	D398 D400	D398-R410 IonicContact OD2-CZ 2.64Å; D398-R410 VanDerWaalsContact OD2-CZ 3.29Å; D398-R410 IonicContact OD2-NE 2.81Å; D398-R410 PolarHBondContact OD2-NE 3.34Å; D398-R410 IonicContact OD2-NH2 3.9Å; D398-R410 PolarHBondContact OD2-NH2 3.01Å; D400-R410 WeakPolarHBondContact OD1-CA 3.38Å; D400-R410 WeakPolarHBondContact OD1-CB 3.29Å; D400-R410 VanDerWaalsContact OD1-CG 3.23Å; D400-R410 WeakPolarHBondContact OD1-CG 3.47Å
411	G	94.8	Very high	93.9	Very high	12 Å²	12	87.3 Å²	87.3	12%	0.124	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-166.9	176.1	0	0	0	0	0	113.5	D398 I399 Y409	D398-G411 WeakPolarHBondContact CA-O 3.39Å; I399-G411 PolarHBondContact N-O 3.19Å; I399-G411 CarbonylContact O-C 3.56Å; I399-G411 WeakPolarHBondContact O-CA 3.36Å; I399-G411 PolarHBondContact O-N 2.85Å; Y409-G411 PolarHBondContact O-N 3.02Å
412	R	93.7	Very high	94.1	Very high	184 Å²	184	83.3 Å²	83.3	69%	0.694	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.5	151.8	171.3	-77.9	-174.8	167.5	172.6	0	110.8	M397 D398	M397-R412 WeakPolarHBondContact O-CA 3.42Å; D398-R412 IonicContact OD1-CZ 3.19Å; D398-R412 VanDerWaalsContact OD1-CZ 3.3Å; D398-R412 IonicContact OD1-NE 3.69Å; D398-R412 PolarHBondContact OD1-NE 2.99Å; D398-R412 IonicContact OD1-NH2 3.47Å; D398-R412 PolarHBondContact OD1-NH2 3.45Å
413	K	92.2	Very high	94.2	Very high	86 Å²	86	76 Å²	76	37%	0.374	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	162.3	170.2	61.4	174.4	-176	178.8	0	110.2	H396 M397 I399	H396-K413 CarbonylContact C-O 3.59Å; H396-K413 VanDerWaalsContact CA-O 3.26Å; H396-K413 WeakPolarHBondContact CA-O 3.3Å; M397-K413 HydrophobicContact CG-CD 4.43Å; M397-K413 HydrophobicContact CG-CG 3.79Å; M397-K413 PolarHBondContact N-O 3.44Å; M397-K413 PolarHBondContact O-N 3.34Å; M397-K413 WeakPolarHBondContact SD-CE 3.43Å; M397-K413 HydrophobicContact SD-CG 4.48Å; I399-K413 HydrophobicContact CB-CD 4.37Å; I399-K413 HydrophobicContact CB-CG 4.33Å; I399-K413 HydrophobicContact CD1-CD 3.88Å; I399-K413 HydrophobicContact CG2-CB 4.21Å; I399-K413 HydrophobicContact CG2-CD 4.19Å; I399-K413 HydrophobicContact CG2-CG 3.88Å
414	L	92.2	Very high	94.3	Very high	65 Å²	65	74.1 Å²	74.1	34%	0.34	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	141.8	165	-73	168.6	0	0	0	109.8	M391 L394 T416	M391-L414 HydrophobicContact CE-CD1 4.08Å; L394-L414 HydrophobicContact CB-CD2 3.56Å; L394-L414 HydrophobicContact CD1-CD2 3.83Å; L394-L414 HydrophobicContact CG-CD2 4.37Å; L414-T416 PolarHBondContact O-N 3.06Å
415	A	92.8	Very high	94.3	Very high	22 Å²	22	67.5 Å²	67.5	18%	0.182	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-64.1	136	-175.4	0	0	0	0	0	111.6	P395 M397 G417 T418	P395-A415 HydrophobicContact CB-CB 4.06Å; P395-A415 HydrophobicContact CG-CB 4.35Å; P395-A415 WeakPolarHBondContact O-CB 3.5Å; P395-A415 PolarHBondContact O-N 2.86Å; M397-A415 HydrophobicContact CE-CB 3.94Å; A415-G417 PolarHBondContact O-N 2.96Å; A415-T418 WeakPolarHBondContact O-CB 3.29Å; A415-T418 PolarHBondContact O-N 3.39Å; A415-T418 PolarHBondContact O-OG1 3.45Å
416	T	87.8	Confident	94.2	Very high	111 Å²	111	61.1 Å²	61.1	68%	0.681	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	126.6	179.5	-50.9	0	0	0	0	111	L414	L414-T416 PolarHBondContact O-N 3.06Å
417	G	87.5	Confident	94.1	Very high	73 Å²	73	64.2 Å²	64.2	75%	0.753	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.7	-3.2	-176.9	0	0	0	0	0	115.4	A415 Q419	A415-G417 PolarHBondContact O-N 2.96Å; G417-Q419 PolarHBondContact O-N 3.16Å
418	T	91.7	Very high	93.8	Very high	35 Å²	35	60.2 Å²	60.2	22%	0.215	31%	0.306	C	S	.	.			trans	-67.8	103.9	174.5	-54.2	0	0	0	0	110.5	P395 A415 V420 F474	P395-T418 HydrophobicContact CG-CG2 3.89Å; A415-T418 WeakPolarHBondContact O-CB 3.29Å; A415-T418 PolarHBondContact O-N 3.39Å; A415-T418 PolarHBondContact O-OG1 3.45Å; T418-V420 HydrophobicContact CG2-CG2 4.27Å; T418-F474 HydrophobicContact CG2-CD2 3.76Å; T418-F474 HydrophobicContact CG2-CE2 4.01Å
419	Q	93.6	Very high	93.7	Very high	83 Å²	83	55.4 Å²	55.4	39%	0.388	28%	0.276	S	S	.	.			trans	-88.3	141.8	169.1	-65.1	-176.7	-23.7	0	0	110.2	G417 C473 F474	G417-Q419 PolarHBondContact O-N 3.16Å; Q419-C473 HydrophobicContact CB-CB 4.28Å; Q419-C473 WeakPolarHBondContact O-CA 3.31Å; Q419-C473 PolarHBondContact OE1-SG 3.27Å; Q419-F474 PolarHBondContact O-N 3.13Å
420	V	95.1	Very high	93.6	Very high	18 Å²	18	52.1 Å²	52.1	11%	0.109	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	138.3	179.8	-169	0	0	0	0	109.4	L394 T418 I443 F474 I476	L394-V420 HydrophobicContact CD1-CG1 4.45Å; L394-V420 HydrophobicContact CD1-CG2 3.74Å; L394-V420 HydrophobicContact CD2-CG2 4.28Å; T418-V420 HydrophobicContact CG2-CG2 4.27Å; V420-I443 HydrophobicContact CG1-CD1 4.03Å; V420-F474 WeakPolarHBondContact CA-O 3.22Å; V420-I476 HydrophobicContact CG1-CD1 3.83Å; V420-I476 HydrophobicContact CG1-CG1 4.23Å
421	C	96.7	Very high	93.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.8	173.8	-68.9	0	0	0	0	110	R444 P467 C473 F474 V475 I476	C421-R444 CarbonylContact C-O 3.55Å; C421-R444 VanDerWaalsContact CA-O 3.27Å; C421-R444 WeakPolarHBondContact CA-O 3.43Å; C421-P467 HydrophobicContact CB-CG 4.44Å; C421-C473 HydrophobicContact CB-CB 4.38Å; C421-C473 PolarHBondContact SG-SG 3.04Å; C421-F474 PolarHBondContact N-O 3.43Å; C421-V475 WeakPolarHBondContact O-CA 3.48Å; C421-I476 PolarHBondContact O-N 3.22Å
422	G	97.4	Very high	93.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	144.4	165.6	0	0	0	0	0	109.9	R444 L445 G446 I476	G422-R444 PolarHBondContact N-O 3.17Å; G422-L445 CarbonylContact O-C 3.56Å; G422-L445 WeakPolarHBondContact O-CA 3.31Å; G422-G446 PolarHBondContact O-N 3.12Å; G422-I476 CarbonylContact C-O 3.56Å; G422-I476 WeakPolarHBondContact CA-O 3.49Å
423	V	98.1	Very high	93.8	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	119.5	172.3	175.9	0	0	0	0	109.6	G446 I448 L466 I470 V475 I476 L477 M478 L495	V423-G446 WeakPolarHBondContact CA-O 3.47Å; V423-I448 HydrophobicContact CG1-CD1 3.7Å; V423-I448 HydrophobicContact CG1-CG1 3.86Å; V423-L466 HydrophobicContact CG1-CD2 3.86Å; V423-L466 HydrophobicContact CG2-CD2 3.87Å; V423-I470 HydrophobicContact CG2-CD1 3.85Å; V423-V475 HydrophobicContact CB-CG1 4.04Å; V423-V475 HydrophobicContact CG2-CG1 3.62Å; V423-I476 PolarHBondContact N-O 2.66Å; V423-L477 HydrophobicContact CB-CD1 4.18Å; V423-L477 HydrophobicContact CG1-CD1 3.92Å; V423-L477 CarbonylContact O-C 3.57Å; V423-L477 WeakPolarHBondContact O-CA 3.47Å; V423-M478 PolarHBondContact O-N 2.79Å; V423-L495 HydrophobicContact CG2-CD2 4.3Å
424	S	97.8	Very high	93.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	129.1	-174.6	-48.4	0	0	0	0	111.9	L426 E433 G446 I448 M478	S424-L426 PolarHBondContact O-N 3.14Å; S424-E433 WeakPolarHBondContact CB-OE1 3.41Å; S424-E433 VanDerWaalsContact OG-CD 3.31Å; S424-E433 VanDerWaalsContact OG-CG 3.31Å; S424-E433 WeakPolarHBondContact OG-CG 3.4Å; S424-E433 PolarHBondContact OG-OE1 3.29Å; S424-G446 PolarHBondContact N-O 3.18Å; S424-I448 PolarHBondContact O-N 2.88Å; S424-M478 WeakPolarHBondContact OG-CE 3.36Å
425	I	96.8	Very high	94.1	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.031	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	104	167	-53.6	-173.2	0	0	0	107.9	A428 G429 I448 I450 L477 M478 D479 A488 A491	I425-A428 PolarHBondContact O-N 3.44Å; I425-G429 WeakPolarHBondContact O-CA 3.49Å; I425-G429 PolarHBondContact O-N 3.13Å; I425-I448 CarbonylContact C-O 3.59Å; I425-I448 WeakPolarHBondContact CA-O 3.37Å; I425-I450 HydrophobicContact CG2-CD1 4.42Å; I425-L477 HydrophobicContact CD1-CD1 4.11Å; I425-L477 HydrophobicContact CD1-CD2 4.47Å; I425-L477 HydrophobicContact CD1-CG 4.34Å; I425-L477 HydrophobicContact CG1-CD1 3.83Å; I425-L477 HydrophobicContact CG1-CG 4.48Å; I425-M478 PolarHBondContact N-O 3.12Å; I425-D479 HydrophobicContact CB-CB 4.2Å; I425-D479 HydrophobicContact CD1-CB 4.11Å; I425-D479 HydrophobicContact CG1-CB 4.38Å; I425-A488 HydrophobicContact CD1-CB 4.45Å; I425-A491 HydrophobicContact CD1-CB 3.52Å; I425-A491 HydrophobicContact CG1-CB 3.89Å
426	L	94.1	Very high	94.3	Very high	29 Å²	29	31.7 Å²	31.7	15%	0.152	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	143.6	-176	-58	-174.6	0	0	0	111.5	S424 E430 K447 I448 L449	S424-L426 PolarHBondContact O-N 3.14Å; L426-E430 HydrophobicContact CD2-CB 3.84Å; L426-E430 HydrophobicContact CD2-CG 4.33Å; L426-K447 HydrophobicContact CD1-CB 4.02Å; L426-K447 HydrophobicContact CD1-CD 4.31Å; L426-K447 HydrophobicContact CD2-CB 4.34Å; L426-K447 HydrophobicContact CD2-CD 4.24Å; L426-K447 HydrophobicContact CD2-CG 4.24Å; L426-K447 HydrophobicContact CG-CB 4.19Å; L426-I448 PolarHBondContact N-O 3.18Å; L426-L449 HydrophobicContact CB-CB 4.35Å; L426-L449 HydrophobicContact CB-CD1 3.77Å
427	R	89.5	Confident	94.6	Very high	112 Å²	112	28.2 Å²	28.2	42%	0.423	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	cis	-84.4	-32.1	-0.1	-64.9	-169.9	-68.7	143.3	1.4	113.9	G429 E430 D553 F556 T558	R427-G429 VanDerWaalsContact C-N 3.34Å; R427-G429 PolarHBondContact O-N 3.13Å; R427-E430 WeakPolarHBondContact O-CB 3.11Å; R427-E430 PolarHBondContact O-N 3.28Å; R427-D553 IonicContact CZ-OD1 2.78Å; R427-D553 IonicContact NH1-OD1 2.75Å; R427-D553 IonicContact NH2-OD1 3.21Å; R427-D553 PolarHBondContact NH2-OD1 3.19Å; R427-F556 HydrophobicContact CB-CE2 4.42Å; R427-T558 PolarHBondContact NH1-OG1 3.35Å
428	A	90.4	Very high	95	Very high	18 Å²	18	27.4 Å²	27.4	15%	0.149	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-66.9	-28.9	-163.8	0	0	0	0	0	114.5	I425 E430 V431 A480	I425-A428 PolarHBondContact O-N 3.44Å; A428-E430 VanDerWaalsContact C-N 3.34Å; A428-E430 PolarHBondContact O-N 3.46Å; A428-V431 WeakPolarHBondContact O-CG2 3.33Å; A428-A480 HydrophobicContact CB-CB 4.22Å; A428-A480 WeakPolarHBondContact O-CB 3.48Å
429	G	92.7	Very high	95.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-73.6	-17	176.6	0	0	0	0	0	115.6	I425 R427 V431 L432 M478	I425-G429 WeakPolarHBondContact O-CA 3.49Å; I425-G429 PolarHBondContact O-N 3.13Å; R427-G429 VanDerWaalsContact C-N 3.34Å; R427-G429 PolarHBondContact O-N 3.13Å; G429-V431 PolarHBondContact O-N 3Å; G429-L432 PolarHBondContact O-N 3.45Å; G429-M478 WeakPolarHBondContact CA-O 3.29Å
430	E	95.1	Very high	95	Very high	71 Å²	71	25.3 Å²	25.3	33%	0.332	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-66.1	-27.7	-178.9	-172.6	156.6	-142.6	0	0	112.4	L426 R427 A428 L432 E433 K447 F556	L426-E430 HydrophobicContact CD2-CB 3.84Å; L426-E430 HydrophobicContact CD2-CG 4.33Å; R427-E430 WeakPolarHBondContact O-CB 3.11Å; R427-E430 PolarHBondContact O-N 3.28Å; A428-E430 VanDerWaalsContact C-N 3.34Å; A428-E430 PolarHBondContact O-N 3.46Å; E430-L432 PolarHBondContact O-N 3.49Å; E430-L432 VanDerWaalsContact O-N 3.16Å; E430-E433 WeakPolarHBondContact O-CB 3.35Å; E430-E433 PolarHBondContact O-N 3.4Å; E430-E433 VanDerWaalsContact O-N 3.09Å; E430-K447 IonicContact OE1-NZ 3.3Å; E430-K447 PolarHBondContact OE1-NZ 2.83Å; E430-F556 HydrophobicContact CB-CZ 4.47Å
431	V	95.5	Very high	94.5	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.018	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-61	-23.2	177.1	-48.7	0	0	0	0	113.2	M383 A428 G429 P434 A480 F551 Y555 F556	M383-V431 HydrophobicContact CE-CB 3.94Å; M383-V431 HydrophobicContact CE-CG2 3.6Å; M383-V431 HydrophobicContact SD-CB 4.45Å; M383-V431 HydrophobicContact SD-CG2 4.09Å; A428-V431 WeakPolarHBondContact O-CG2 3.33Å; G429-V431 PolarHBondContact O-N 3Å; V431-P434 WeakPolarHBondContact O-CD 3.19Å; V431-A480 HydrophobicContact CG2-CB 4.01Å; V431-F551 HydrophobicContact CB-CE1 4.3Å; V431-F551 HydrophobicContact CG1-CE1 4.15Å; V431-F551 HydrophobicContact CG2-CD1 4.46Å; V431-F551 HydrophobicContact CG2-CE1 3.75Å; V431-F551 HydrophobicContact CG2-CZ 4.46Å; V431-Y555 HydrophobicContact CB-CD1 4.13Å; V431-Y555 HydrophobicContact CB-CD2 4.34Å; V431-Y555 HydrophobicContact CB-CE1 3.99Å; V431-Y555 HydrophobicContact CB-CE2 4.2Å; V431-Y555 HydrophobicContact CB-CG 4.3Å; V431-Y555 HydrophobicContact CG1-CD1 3.5Å; V431-Y555 HydrophobicContact CG1-CD2 4.19Å; V431-Y555 HydrophobicContact CG1-CE1 3.85Å; V431-Y555 HydrophobicContact CG1-CE2 4.47Å; V431-Y555 HydrophobicContact CG1-CG 3.69Å; V431-F556 HydrophobicContact CG1-CE1 4.42Å; V431-F556 HydrophobicContact CG1-CE2 3.92Å; V431-F556 HydrophobicContact CG1-CZ 3.69Å
432	L	96.8	Very high	94	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-84.6	-13.6	-179.7	-71.8	156.9	0	0	0	112.5	M383 L386 G429 E430 A435 L436 M478 I508	M383-L432 HydrophobicContact CB-CD2 3.87Å; M383-L432 HydrophobicContact CG-CD2 3.59Å; M383-L432 HydrophobicContact SD-CD2 4Å; M383-L432 HydrophobicContact SD-CG 4.37Å; L386-L432 HydrophobicContact CD2-CD2 4.16Å; G429-L432 PolarHBondContact O-N 3.45Å; E430-L432 PolarHBondContact O-N 3.49Å; E430-L432 VanDerWaalsContact O-N 3.16Å; L432-A435 PolarHBondContact O-N 2.88Å; L432-L436 WeakPolarHBondContact O-CB 3.45Å; L432-L436 PolarHBondContact O-N 3.28Å; L432-M478 HydrophobicContact CB-CB 4.07Å; L432-M478 HydrophobicContact CB-CE 4.27Å; L432-M478 HydrophobicContact CB-CG 4.32Å; L432-M478 HydrophobicContact CB-SD 3.59Å; L432-M478 VanDerWaalsContact CB-SD 3.59Å; L432-M478 HydrophobicContact CD1-CB 3.8Å; L432-I508 HydrophobicContact CD1-CD1 4.44Å; L432-I508 HydrophobicContact CD1-CG1 4.31Å; L432-I508 HydrophobicContact CD2-CD1 4.3Å
433	E	95.8	Very high	93.8	Very high	23 Å²	23	41.3 Å²	41.3	11%	0.107	22%	0.222	C	C	.	.	H	α-helix	trans	-60.2	-47	-179.7	-67.7	175.7	-157.4	0	0	113.3	S424 E430 A435 L436 C437 L445 K447 M478	S424-E433 WeakPolarHBondContact CB-OE1 3.41Å; S424-E433 VanDerWaalsContact OG-CD 3.31Å; S424-E433 VanDerWaalsContact OG-CG 3.31Å; S424-E433 WeakPolarHBondContact OG-CG 3.4Å; S424-E433 PolarHBondContact OG-OE1 3.29Å; E430-E433 WeakPolarHBondContact O-CB 3.35Å; E430-E433 PolarHBondContact O-N 3.4Å; E430-E433 VanDerWaalsContact O-N 3.09Å; E433-A435 PolarHBondContact O-N 2.91Å; E433-L436 PolarHBondContact O-N 2.96Å; E433-C437 WeakPolarHBondContact O-CB 3.45Å; E433-C437 PolarHBondContact O-N 3.02Å; E433-C437 PolarHBondContact O-SG 3.26Å; E433-L445 HydrophobicContact CB-CD1 4.06Å; E433-L445 HydrophobicContact CG-CD1 3.95Å; E433-L445 HydrophobicContact CG-CD2 4.3Å; E433-K447 IonicContact OE1-NZ 2.63Å; E433-K447 PolarHBondContact OE1-NZ 3.22Å; E433-K447 IonicContact OE2-NZ 3.8Å; E433-K447 PolarHBondContact OE2-NZ 2.86Å; E433-M478 HydrophobicContact CB-CE 4.44Å; E433-M478 HydrophobicContact CG-CE 3.56Å
434	P	94.8	Very high	93.7	Very high	72 Å²	72	45.6 Å²	45.6	47%	0.468	24%	0.238	S	C	.	.	H	α-helix	trans	-62.2	-42.4	177.9	-21.8	34.4	0	0	0	112.4	V431 A438	V431-P434 WeakPolarHBondContact O-CD 3.19Å; P434-A438 WeakPolarHBondContact O-CB 3.36Å; P434-A438 PolarHBondContact O-N 3.44Å
435	A	96.1	Very high	93.6	Very high	11 Å²	11	48.6 Å²	48.6	9%	0.091	25%	0.254	C	S	.	.	H	α-helix	trans	-63.5	-42.2	178.6	0	0	0	0	0	111.8	M383 L432 E433 A438 V439	M383-A435 HydrophobicContact CB-CB 3.62Å; L432-A435 PolarHBondContact O-N 2.88Å; E433-A435 PolarHBondContact O-N 2.91Å; A435-A438 PolarHBondContact O-N 3.47Å; A435-V439 WeakPolarHBondContact O-CG2 3.39Å; A435-V439 PolarHBondContact O-N 3.29Å
436	L	96.3	Very high	93.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-70.7	-44.3	178.7	-175.7	55.2	0	0	0	112.2	C387 L432 E433 A438 V439 C440 I443 I476 M478	C387-L436 HydrophobicContact CB-CD1 4.19Å; L432-L436 WeakPolarHBondContact O-CB 3.45Å; L432-L436 PolarHBondContact O-N 3.28Å; E433-L436 PolarHBondContact O-N 2.96Å; L436-A438 VanDerWaalsContact C-N 3.27Å; L436-A438 PolarHBondContact O-N 3.17Å; L436-V439 PolarHBondContact O-N 3.22Å; L436-C440 PolarHBondContact O-N 2.57Å; L436-I443 HydrophobicContact CD1-CD1 4.07Å; L436-I443 HydrophobicContact CD2-CD1 3.55Å; L436-I443 HydrophobicContact CG-CD1 3.67Å; L436-I476 HydrophobicContact CD1-CD1 3.87Å; L436-I476 HydrophobicContact CD2-CB 4.15Å; L436-I476 HydrophobicContact CD2-CD1 4.36Å; L436-I476 HydrophobicContact CD2-CG2 3.89Å; L436-M478 HydrophobicContact CB-SD 4.15Å; L436-M478 HydrophobicContact CD2-CE 4.23Å; L436-M478 HydrophobicContact CD2-SD 3.45Å; L436-M478 WeakPolarHBondContact CD2-SD 3.47Å; L436-M478 HydrophobicContact CG-SD 4.45Å
437	C	95.6	Very high	93.7	Very high	39 Å²	39	49.4 Å²	49.4	26%	0.264	26%	0.257	S	S	.	.	H	α-helix	trans	-62.5	-33.5	174.8	-70.1	0	0	0	0	112.6	E433 V439 C440 K441	E433-C437 WeakPolarHBondContact O-CB 3.45Å; E433-C437 PolarHBondContact O-N 3.02Å; E433-C437 PolarHBondContact O-SG 3.26Å; C437-V439 PolarHBondContact O-N 2.95Å; C437-C440 CarbonylContact O-C 3.6Å; C437-C440 VanDerWaalsContact O-C 3.25Å; C437-C440 PolarHBondContact O-N 3.49Å; C437-K441 WeakPolarHBondContact O-CA 3.27Å; C437-K441 PolarHBondContact O-N 2.9Å
438	A	94.7	Very high	94	Very high	56 Å²	56	44.1 Å²	44.1	46%	0.463	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-12.9	175.9	0	0	0	0	0	113.6	R384 P434 A435 L436	R384-A438 VanDerWaalsContact CZ-O 3.28Å; R384-A438 VanDerWaalsContact NH1-C 3.27Å; R384-A438 PolarHBondContact NH1-O 3.38Å; R384-A438 PolarHBondContact NH2-O 2.87Å; R384-A438 VanDerWaalsContact NH2-O 3.07Å; P434-A438 WeakPolarHBondContact O-CB 3.36Å; P434-A438 PolarHBondContact O-N 3.44Å; A435-A438 PolarHBondContact O-N 3.47Å; L436-A438 VanDerWaalsContact C-N 3.27Å; L436-A438 PolarHBondContact O-N 3.17Å
439	V	93.8	Very high	94.2	Very high	42 Å²	42	45.1 Å²	45.1	26%	0.255	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-38.4	169.3	175.1	0	0	0	0	111.1	C387 E388 M391 A435 L436 C437	C387-V439 HydrophobicContact CB-CG2 4.08Å; E388-V439 HydrophobicContact CG-CG1 4.17Å; E388-V439 HydrophobicContact CG-CG2 3.74Å; M391-V439 HydrophobicContact CG-CG1 3.76Å; A435-V439 WeakPolarHBondContact O-CG2 3.39Å; A435-V439 PolarHBondContact O-N 3.29Å; L436-V439 PolarHBondContact O-N 3.22Å; C437-V439 PolarHBondContact O-N 2.95Å
440	C	91.5	Very high	94.1	Very high	32 Å²	32	45.8 Å²	45.8	22%	0.216	24%	0.243	C	C	.	.	S	Bend	trans	-131.2	96.8	-178.1	-168.4	0	0	0	0	110.6	M391 L436 C437 D442 I443	M391-C440 HydrophobicContact CE-CB 4.39Å; L436-C440 PolarHBondContact O-N 2.57Å; C437-C440 CarbonylContact O-C 3.6Å; C437-C440 VanDerWaalsContact O-C 3.25Å; C437-C440 PolarHBondContact O-N 3.49Å; C440-D442 PolarHBondContact O-N 2.84Å; C440-I443 HydrophobicContact CB-CB 4.16Å; C440-I443 WeakPolarHBondContact O-CB 3.26Å; C440-I443 VanDerWaalsContact O-CG2 3.3Å; C440-I443 WeakPolarHBondContact O-CG2 3.26Å; C440-I443 PolarHBondContact O-N 3.09Å
441	K	86	Confident	93.7	Very high	185 Å²	185	47 Å²	47	80%	0.804	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-39.4	-167.7	-68	-174	176.9	-177	0	114.9	C437	C437-K441 WeakPolarHBondContact O-CA 3.27Å; C437-K441 PolarHBondContact O-N 2.9Å
442	D	85.8	Confident	93.1	Very high	151 Å²	151	50.2 Å²	50.2	81%	0.807	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	21	-171.2	-51.9	-73.4	0	0	0	112.5	C440	C440-D442 PolarHBondContact O-N 2.84Å
443	I	93.1	Very high	92.3	Very high	17 Å²	17	50.7 Å²	50.7	9%	0.087	27%	0.271	C	S	.	.			trans	-69.1	136.9	-178.5	-160.7	177.1	0	0	0	111.6	V420 L436 C440 L445	V420-I443 HydrophobicContact CG1-CD1 4.03Å; L436-I443 HydrophobicContact CD1-CD1 4.07Å; L436-I443 HydrophobicContact CD2-CD1 3.55Å; L436-I443 HydrophobicContact CG-CD1 3.67Å; C440-I443 HydrophobicContact CB-CB 4.16Å; C440-I443 WeakPolarHBondContact O-CB 3.26Å; C440-I443 VanDerWaalsContact O-CG2 3.3Å; C440-I443 WeakPolarHBondContact O-CG2 3.26Å; C440-I443 PolarHBondContact O-N 3.09Å; I443-L445 HydrophobicContact CG2-CD2 4.21Å
444	R	95.1	Very high	91.4	Very high	90 Å²	90	55 Å²	55	34%	0.34	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	133.6	177.6	-59.8	178.6	-63	179	-1.2	110	C421 G422 P467 D469 C473	C421-R444 CarbonylContact C-O 3.55Å; C421-R444 VanDerWaalsContact CA-O 3.27Å; C421-R444 WeakPolarHBondContact CA-O 3.43Å; G422-R444 PolarHBondContact N-O 3.17Å; R444-P467 HydrophobicContact CB-CG 4.24Å; R444-D469 IonicContact CZ-OD1 3.67Å; R444-D469 IonicContact CZ-OD2 2.83Å; R444-D469 IonicContact NH1-OD1 3.92Å; R444-D469 PolarHBondContact NH1-OD1 3.08Å; R444-D469 IonicContact NH1-OD2 3.35Å; R444-D469 PolarHBondContact NH1-OD2 3.08Å; R444-D469 VanDerWaalsContact NH2-CG 3.33Å; R444-D469 IonicContact NH2-OD1 3.3Å; R444-D469 PolarHBondContact NH2-OD1 3.21Å; R444-D469 IonicContact NH2-OD2 3.81Å; R444-D469 PolarHBondContact NH2-OD2 2.65Å; R444-C473 PolarHBondContact NH2-SG 3.39Å
445	L	96.6	Very high	90.5	Very high	64 Å²	64	56.9 Å²	56.9	34%	0.335	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.9	-175.4	-59.5	175.9	0	0	0	111.5	G422 E433 I443	G422-L445 CarbonylContact O-C 3.56Å; G422-L445 WeakPolarHBondContact O-CA 3.31Å; E433-L445 HydrophobicContact CB-CD1 4.06Å; E433-L445 HydrophobicContact CG-CD1 3.95Å; E433-L445 HydrophobicContact CG-CD2 4.3Å; I443-L445 HydrophobicContact CG2-CD2 4.21Å
446	G	96.6	Very high	89.5	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.01	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	158.4	162.1	0	0	0	0	0	111.2	G422 V423 S424 R465	G422-G446 PolarHBondContact O-N 3.12Å; V423-G446 WeakPolarHBondContact CA-O 3.47Å; S424-G446 PolarHBondContact N-O 3.18Å; G446-R465 CarbonylContact C-O 3.53Å; G446-R465 WeakPolarHBondContact CA-O 3.34Å
447	K	96.8	Very high	88.5	Confident	51 Å²	51	62.2 Å²	62.2	22%	0.222	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	136.1	177.9	-64.6	178.5	-171.5	-86.7	0	110.2	L426 E430 E433 R465	L426-K447 HydrophobicContact CD1-CB 4.02Å; L426-K447 HydrophobicContact CD1-CD 4.31Å; L426-K447 HydrophobicContact CD2-CB 4.34Å; L426-K447 HydrophobicContact CD2-CD 4.24Å; L426-K447 HydrophobicContact CD2-CG 4.24Å; L426-K447 HydrophobicContact CG-CB 4.19Å; E430-K447 IonicContact OE1-NZ 3.3Å; E430-K447 PolarHBondContact OE1-NZ 2.83Å; E433-K447 IonicContact OE1-NZ 2.63Å; E433-K447 PolarHBondContact OE1-NZ 3.22Å; E433-K447 IonicContact OE2-NZ 3.8Å; E433-K447 PolarHBondContact OE2-NZ 2.86Å; K447-R465 PolarHBondContact N-O 3.27Å; K447-R465 PolarHBondContact O-N 2.78Å
448	I	95.2	Very high	87.6	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	122.4	177	-56.6	178.8	0	0	0	107.5	V423 S424 I425 L426 I450 L461 Y463 L466 A491 I494	V423-I448 HydrophobicContact CG1-CD1 3.7Å; V423-I448 HydrophobicContact CG1-CG1 3.86Å; S424-I448 PolarHBondContact O-N 2.88Å; I425-I448 CarbonylContact C-O 3.59Å; I425-I448 WeakPolarHBondContact CA-O 3.37Å; L426-I448 PolarHBondContact N-O 3.18Å; I448-I450 HydrophobicContact CG2-CD1 3.86Å; I448-I450 HydrophobicContact CG2-CG1 3.96Å; I448-L461 HydrophobicContact CG2-CD1 3.59Å; I448-Y463 WeakPolarHBondContact CA-O 3.38Å; I448-L466 HydrophobicContact CD1-CD2 4.29Å; I448-L466 HydrophobicContact CG1-CD2 4.15Å; I448-A491 HydrophobicContact CD1-CB 4.19Å; I448-I494 HydrophobicContact CD1-CB 4.36Å; I448-I494 HydrophobicContact CD1-CD1 4.44Å; I448-I494 HydrophobicContact CD1-CG2 4.07Å; I448-I494 HydrophobicContact CG2-CD1 3.85Å
449	L	94	Very high	87.2	Confident	39 Å²	39	58.6 Å²	58.6	20%	0.204	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	112.7	174.3	-179.3	60.9	0	0	0	109.6	L426 Q451 H462 Y463	L426-L449 HydrophobicContact CB-CB 4.35Å; L426-L449 HydrophobicContact CB-CD1 3.77Å; L449-Q451 HydrophobicContact CD1-CG 3.91Å; L449-Q451 HydrophobicContact CG-CG 4.04Å; L449-H462 HydrophobicContact CD2-CB 3.93Å; L449-H462 HydrophobicContact CG-CB 4.15Å; L449-H462 PolarHBondContact O-N 3.46Å; L449-Y463 PolarHBondContact N-O 3.05Å; L449-Y463 PolarHBondContact O-N 3.41Å
450	I	91.3	Very high	86.7	Confident	15 Å²	15	57.2 Å²	57.2	8%	0.077	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126.7	172	-67.1	156.4	0	0	0	107.5	I425 I448 P459 E460 L461 A487 M490 A491	I425-I450 HydrophobicContact CG2-CD1 4.42Å; I448-I450 HydrophobicContact CG2-CD1 3.86Å; I448-I450 HydrophobicContact CG2-CG1 3.96Å; I450-P459 HydrophobicContact CG2-CB 3.65Å; I450-E460 CarbonylContact C-O 3.58Å; I450-E460 VanDerWaalsContact CA-O 3.28Å; I450-E460 WeakPolarHBondContact CA-O 3.49Å; I450-L461 HydrophobicContact CG1-CD1 4.15Å; I450-A487 WeakPolarHBondContact CD1-O 3.42Å; I450-A487 HydrophobicContact CG2-CB 4Å; I450-M490 HydrophobicContact CD1-CB 3.89Å; I450-M490 HydrophobicContact CD1-CG 3.86Å; I450-M490 HydrophobicContact CD1-SD 4.2Å; I450-M490 HydrophobicContact CG1-CG 4.25Å; I450-M490 HydrophobicContact CG1-SD 3.94Å; I450-M490 HydrophobicContact CG2-SD 4.15Å; I450-A491 HydrophobicContact CD1-CB 3.98Å
451	Q	87.2	Confident	86.4	Confident	96 Å²	96	55.7 Å²	55.7	45%	0.449	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	158.4	177.6	-52.5	-168.8	-72.2	0	0	109.5	L449 P459 E460	L449-Q451 HydrophobicContact CD1-CG 3.91Å; L449-Q451 HydrophobicContact CG-CG 4.04Å; Q451-P459 CarbonylContact O-C 3.6Å; Q451-P459 WeakPolarHBondContact O-CA 3.45Å; Q451-E460 PolarHBondContact N-O 2.92Å; Q451-E460 PolarHBondContact O-N 3.11Å
452	T	83	Confident	86.4	Confident	70 Å²	70	49.3 Å²	49.3	43%	0.429	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	124.1	171.1	-65.2	0	0	0	0	108.5	R282	R282-T452 PolarHBondContact NH1-OG1 3.28Å
453	N	79.6	Confident	86.4	Confident	10 Å²	10	47.1 Å²	47.1	5%	0.053	25%	0.249	C	C	.	.			trans	-67.2	123.1	169.4	174.4	-38.5	0	0	0	108.7	V455 T456 S457 E458 E460	N453-V455 PolarHBondContact O-N 3.3Å; N453-V455 WeakPolarHBondContact OD1-CA 3.41Å; N453-V455 WeakPolarHBondContact OD1-CB 3.5Å; N453-V455 PolarHBondContact OD1-N 2.93Å; N453-T456 WeakPolarHBondContact CB-OG1 3.43Å; N453-T456 PolarHBondContact OD1-N 3.33Å; N453-T456 VanDerWaalsContact OD1-N 3.11Å; N453-S457 VanDerWaalsContact O-CA 3.25Å; N453-S457 WeakPolarHBondContact O-CA 3.48Å; N453-S457 PolarHBondContact O-N 2.95Å; N453-E458 PolarHBondContact N-O 2.89Å; N453-E460 HydrophobicContact CB-CG 4.16Å; N453-E460 WeakPolarHBondContact CB-OE1 3.18Å; N453-E460 PolarHBondContact ND2-OE1 3.19Å
454	P	76.9	Confident	86.3	Confident	113 Å²	113	47.4 Å²	47.4	73%	0.734	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-17.4	-173	28.6	-35.6	0	0	0	113.9
455	V	74.7	Confident	86.1	Confident	112 Å²	112	51.5 Å²	51.5	68%	0.679	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-40.5	179.9	-175.4	0	0	0	0	111.4	N453	N453-V455 PolarHBondContact O-N 3.3Å; N453-V455 WeakPolarHBondContact OD1-CA 3.41Å; N453-V455 WeakPolarHBondContact OD1-CB 3.5Å; N453-V455 PolarHBondContact OD1-N 2.93Å
456	T	75.2	Confident	85.9	Confident	72 Å²	72	49.9 Å²	49.9	44%	0.442	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-17.2	-177.6	68.2	0	0	0	0	113.5	N453 E458	N453-T456 WeakPolarHBondContact CB-OG1 3.43Å; N453-T456 PolarHBondContact OD1-N 3.33Å; N453-T456 VanDerWaalsContact OD1-N 3.11Å; T456-E458 PolarHBondContact O-N 2.92Å; T456-E458 VanDerWaalsContact O-N 3.11Å; T456-E458 PolarHBondContact OG1-N 3.48Å
457	S	75.8	Confident	85.7	Confident	51 Å²	51	50.8 Å²	50.8	36%	0.357	26%	0.263	S	S	.	.			trans	60.5	-4.7	-166.6	-63.2	0	0	0	0	115.9	R282 N453	R282-S457 WeakPolarHBondContact CD-O 3.38Å; R282-S457 PolarHBondContact NH1-O 3.46Å; N453-S457 VanDerWaalsContact O-CA 3.25Å; N453-S457 WeakPolarHBondContact O-CA 3.48Å; N453-S457 PolarHBondContact O-N 2.95Å
458	E	77.8	Confident	85.3	Confident	16 Å²	16	60.1 Å²	60.1	8%	0.075	30%	0.297	C	S	.	.	S	Bend	trans	-74.6	153.3	178.8	-62.9	-63.4	144.5	0	0	111.3	P61 R280 T281 R282 N453 T456	P61-E458 HydrophobicContact CG-CB 4.24Å; R280-E458 VanDerWaalsContact CA-OE1 3.27Å; R280-E458 WeakPolarHBondContact CA-OE1 3.27Å; T281-E458 WeakPolarHBondContact CA-OE2 3.44Å; T281-E458 WeakPolarHBondContact CB-OE2 3.39Å; T281-E458 VanDerWaalsContact N-CD 3.26Å; T281-E458 PolarHBondContact N-OE1 2.54Å; T281-E458 PolarHBondContact N-OE2 2.68Å; T281-E458 PolarHBondContact OG1-OE2 3.04Å; R282-E458 PolarHBondContact N-OE1 3.5Å; R282-E458 PolarHBondContact N-OE2 2.87Å; N453-E458 PolarHBondContact N-O 2.89Å; T456-E458 PolarHBondContact O-N 2.92Å; T456-E458 VanDerWaalsContact O-N 3.11Å; T456-E458 PolarHBondContact OG1-N 3.48Å
459	P	84.4	Confident	85.1	Confident	4 Å²	4	62.1 Å²	62.1	3%	0.026	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	136.6	170.9	29.5	-32.6	0	0	0	110.7	P61 I450 Q451 A486 M490	P61-P459 WeakPolarHBondContact CD-O 3.49Å; P61-P459 HydrophobicContact CG-CG 4.06Å; I450-P459 HydrophobicContact CG2-CB 3.65Å; Q451-P459 CarbonylContact O-C 3.6Å; Q451-P459 WeakPolarHBondContact O-CA 3.45Å; P459-A486 HydrophobicContact CG-CB 4.12Å; P459-M490 HydrophobicContact CB-CE 4.34Å; P459-M490 HydrophobicContact CB-SD 4.37Å; P459-M490 HydrophobicContact CG-CE 4.14Å; P459-M490 VanDerWaalsContact O-CE 3.3Å; P459-M490 WeakPolarHBondContact O-CE 3.4Å
460	E	83.9	Confident	85.2	Confident	12 Å²	12	60.4 Å²	60.4	6%	0.056	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	135.8	175.3	-86.5	-177.8	-166.9	0	0	110.7	H57 G58 R59 I450 Q451 N453 H462	H57-E460 IonicContact ND1-OE2 2.71Å; G58-E460 PolarHBondContact N-OE2 3.42Å; R59-E460 WeakPolarHBondContact O-CA 3.44Å; I450-E460 CarbonylContact C-O 3.58Å; I450-E460 VanDerWaalsContact CA-O 3.28Å; I450-E460 WeakPolarHBondContact CA-O 3.49Å; Q451-E460 PolarHBondContact N-O 2.92Å; Q451-E460 PolarHBondContact O-N 3.11Å; N453-E460 HydrophobicContact CB-CG 4.16Å; N453-E460 WeakPolarHBondContact CB-OE1 3.18Å; N453-E460 PolarHBondContact ND2-OE1 3.19Å; E460-H462 PolarHBondContact O-CD2 3.37Å
461	L	85.9	Confident	85.3	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	120	176.2	175.2	69.9	0	0	0	111.4	G58 R59 W62 W100 I448 I450 I464 M490 I494	G58-L461 CarbonylContact C-O 3.52Å; G58-L461 WeakPolarHBondContact CA-O 3.45Å; R59-L461 HydrophobicContact CB-CB 3.76Å; R59-L461 HydrophobicContact CB-CD2 4.3Å; R59-L461 PolarHBondContact N-O 3.37Å; R59-L461 PolarHBondContact O-N 3.5Å; R59-L461 VanDerWaalsContact O-N 3.1Å; W62-L461 HydrophobicContact CH2-CD2 4.4Å; W100-L461 HydrophobicContact CH2-CD2 4.05Å; W100-L461 HydrophobicContact CZ2-CD2 4.46Å; W100-L461 WeakPolarHBondContact CZ2-O 3.22Å; W100-L461 HydrophobicContact CZ3-CD2 4.48Å; I448-L461 HydrophobicContact CG2-CD1 3.59Å; I450-L461 HydrophobicContact CG1-CD1 4.15Å; L461-I464 HydrophobicContact CD1-CD1 4.3Å; L461-I464 HydrophobicContact CD1-CG1 3.8Å; L461-I464 HydrophobicContact CD2-CD1 3.62Å; L461-I464 HydrophobicContact CD2-CG1 3.97Å; L461-I464 HydrophobicContact CG-CD1 4.47Å; L461-I464 HydrophobicContact CG-CG1 4.29Å; L461-M490 HydrophobicContact CB-SD 3.99Å; L461-I494 HydrophobicContact CD1-CD1 3.57Å; L461-I494 HydrophobicContact CD2-CD1 3.9Å; L461-I494 HydrophobicContact CG-CD1 4.28Å
462	H	85.1	Confident	85.6	Confident	51 Å²	51	63.8 Å²	63.8	24%	0.236	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-20.9	179.6	-61.6	-103	0	0	0	113.9	T56 G58 L449 E460	T56-H462 PolarHBondContact O-CE1 3.47Å; T56-H462 PolarHBondContact O-ND1 2.95Å; G58-H462 PolarHBondContact N-CE1 2.85Å; L449-H462 HydrophobicContact CD2-CB 3.93Å; L449-H462 HydrophobicContact CG-CB 4.15Å; L449-H462 PolarHBondContact O-N 3.46Å; E460-H462 PolarHBondContact O-CD2 3.37Å
463	Y	86.9	Confident	86.2	Confident	105 Å²	105	60.5 Å²	60.5	41%	0.412	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	142.3	-179.3	-175	-101.8	0	0	0	112.4	I448 L449 R465	I448-Y463 WeakPolarHBondContact CA-O 3.38Å; L449-Y463 PolarHBondContact N-O 3.05Å; L449-Y463 PolarHBondContact O-N 3.41Å; Y463-R465 HydrophobicContact CE1-CB 3.59Å; Y463-R465 WeakPolarHBondContact OH-CD 3.46Å
464	I	89.5	Confident	87	Confident	23 Å²	23	61.8 Å²	61.8	12%	0.118	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	135	167.1	-62.9	176.9	0	0	0	108.5	Y172 L461 L466 I494	Y172-I464 HydrophobicContact CD1-CD1 3.93Å; Y172-I464 HydrophobicContact CE1-CB 4.4Å; Y172-I464 HydrophobicContact CE1-CD1 3.65Å; Y172-I464 HydrophobicContact CE1-CG2 4.2Å; L461-I464 HydrophobicContact CD1-CD1 4.3Å; L461-I464 HydrophobicContact CD1-CG1 3.8Å; L461-I464 HydrophobicContact CD2-CD1 3.62Å; L461-I464 HydrophobicContact CD2-CG1 3.97Å; L461-I464 HydrophobicContact CG-CD1 4.47Å; L461-I464 HydrophobicContact CG-CG1 4.29Å; I464-L466 HydrophobicContact CG2-CD1 3.95Å; I464-L466 HydrophobicContact CG2-CG 3.76Å; I464-I494 HydrophobicContact CD1-CD1 4.14Å; I464-I494 HydrophobicContact CD1-CG1 4.25Å; I464-I494 HydrophobicContact CD1-CG2 3.61Å; I464-I494 HydrophobicContact CG1-CD1 4.5Å; I464-I494 HydrophobicContact CG1-CG2 4.34Å
465	R	91.5	Very high	88	Confident	175 Å²	175	56.4 Å²	56.4	66%	0.66	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.7	112.1	158.3	-177.9	173.2	178.3	177.8	-0.1	109.8	G446 K447 Y463	G446-R465 CarbonylContact C-O 3.53Å; G446-R465 WeakPolarHBondContact CA-O 3.34Å; K447-R465 PolarHBondContact N-O 3.27Å; K447-R465 PolarHBondContact O-N 2.78Å; Y463-R465 HydrophobicContact CE1-CB 3.59Å; Y463-R465 WeakPolarHBondContact OH-CD 3.46Å
466	L	93.3	Very high	89.1	Confident	30 Å²	30	51 Å²	51	16%	0.157	23%	0.233	C	C	.	.			trans	-122.3	156.8	-177.7	-60	175	0	0	0	111.3	V423 I448 I464 I470 I494 L495	V423-L466 HydrophobicContact CG1-CD2 3.86Å; V423-L466 HydrophobicContact CG2-CD2 3.87Å; I448-L466 HydrophobicContact CD1-CD2 4.29Å; I448-L466 HydrophobicContact CG1-CD2 4.15Å; I464-L466 HydrophobicContact CG2-CD1 3.95Å; I464-L466 HydrophobicContact CG2-CG 3.76Å; L466-I470 HydrophobicContact CB-CD1 4.16Å; L466-I470 HydrophobicContact CD1-CD1 4.17Å; L466-I470 HydrophobicContact CD2-CD1 3.97Å; L466-I470 HydrophobicContact CG-CD1 4.31Å; L466-I494 HydrophobicContact CD1-CG2 4.18Å; L466-L495 HydrophobicContact CD1-CD2 4.39Å
467	P	92.5	Very high	90.2	Very high	20 Å²	20	47.6 Å²	47.6	13%	0.13	21%	0.212	C	C	.	.			trans	-58.1	142.3	165.9	-24.2	35.5	0	0	0	111.9	C421 R444 D469 I470	C421-P467 HydrophobicContact CB-CG 4.44Å; R444-P467 HydrophobicContact CB-CG 4.24Å; P467-D469 PolarHBondContact O-N 3.28Å; P467-I470 HydrophobicContact CB-CB 4.44Å; P467-I470 WeakPolarHBondContact O-CB 3.47Å; P467-I470 WeakPolarHBondContact O-CG2 3.5Å; P467-I470 PolarHBondContact O-N 3.46Å
468	R	88.2	Confident	91.3	Very high	247 Å²	247	45.2 Å²	45.2	93%	0.932	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-23.2	-175.8	-69.6	-178.8	172	-178.2	-5.2	114.1
469	D	91.5	Very high	92.2	Very high	42 Å²	42	45.1 Å²	45.1	23%	0.225	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	20.1	-178.5	58	-32.8	0	0	0	112	R444 P467 K471 D472 C473	R444-D469 IonicContact CZ-OD1 3.67Å; R444-D469 IonicContact CZ-OD2 2.83Å; R444-D469 IonicContact NH1-OD1 3.92Å; R444-D469 PolarHBondContact NH1-OD1 3.08Å; R444-D469 IonicContact NH1-OD2 3.35Å; R444-D469 PolarHBondContact NH1-OD2 3.08Å; R444-D469 VanDerWaalsContact NH2-CG 3.33Å; R444-D469 IonicContact NH2-OD1 3.3Å; R444-D469 PolarHBondContact NH2-OD1 3.21Å; R444-D469 IonicContact NH2-OD2 3.81Å; R444-D469 PolarHBondContact NH2-OD2 2.65Å; P467-D469 PolarHBondContact O-N 3.28Å; D469-K471 PolarHBondContact O-N 3.17Å; D469-K471 VanDerWaalsContact O-N 3.14Å; D469-D472 PolarHBondContact O-N 2.82Å; D469-C473 PolarHBondContact O-SG 2.77Å; D469-C473 VanDerWaalsContact O-SG 3.35Å
470	I	94.3	Very high	92.7	Very high	3 Å²	3	45 Å²	45	2%	0.015	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-56.2	-32.2	-179.3	-167.8	171.8	0	0	0	113.2	V423 L466 P467 D472 C473 V475 L495 H498 V500	V423-I470 HydrophobicContact CG2-CD1 3.85Å; L466-I470 HydrophobicContact CB-CD1 4.16Å; L466-I470 HydrophobicContact CD1-CD1 4.17Å; L466-I470 HydrophobicContact CD2-CD1 3.97Å; L466-I470 HydrophobicContact CG-CD1 4.31Å; P467-I470 HydrophobicContact CB-CB 4.44Å; P467-I470 WeakPolarHBondContact O-CB 3.47Å; P467-I470 WeakPolarHBondContact O-CG2 3.5Å; P467-I470 PolarHBondContact O-N 3.46Å; I470-D472 PolarHBondContact O-N 2.89Å; I470-C473 WeakPolarHBondContact O-CB 3.28Å; I470-C473 PolarHBondContact O-N 3.22Å; I470-C473 VanDerWaalsContact O-N 3.09Å; I470-V475 HydrophobicContact CD1-CG1 4.47Å; I470-V475 HydrophobicContact CD1-CG2 3.96Å; I470-V475 HydrophobicContact CG1-CG2 3.6Å; I470-L495 HydrophobicContact CD1-CD2 3.51Å; I470-H498 HydrophobicContact CG2-CB 4.02Å; I470-V500 HydrophobicContact CB-CG2 4.43Å; I470-V500 HydrophobicContact CD1-CG2 4.45Å; I470-V500 HydrophobicContact CG1-CG2 3.94Å; I470-V500 HydrophobicContact CG2-CG2 4.04Å
471	K	93.4	Very high	93.2	Very high	99 Å²	99	45.8 Å²	45.8	43%	0.43	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-53.7	-33.7	175	74.3	-172.1	-175.7	177	0	113.7	D469 H498 D499 P501	D469-K471 PolarHBondContact O-N 3.17Å; D469-K471 VanDerWaalsContact O-N 3.14Å; K471-H498 WeakPolarHBondContact CB-O 3.17Å; K471-D499 HydrophobicContact CB-CB 4.18Å; K471-P501 WeakPolarHBondContact O-CD 3.45Å
472	D	93.9	Very high	93.7	Very high	84 Å²	84	46 Å²	46	45%	0.449	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-87.1	-20.4	-175.3	-58.7	-58.1	0	0	0	111	D469 I470 K504	D469-D472 PolarHBondContact O-N 2.82Å; I470-D472 PolarHBondContact O-N 2.89Å; D472-K504 PolarHBondContact O-NZ 2.94Å
473	C	95.1	Very high	94	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-83.9	159.9	-176.2	-58.2	0	0	0	0	114.1	Q419 C421 R444 D469 I470 K504	Q419-C473 HydrophobicContact CB-CB 4.28Å; Q419-C473 WeakPolarHBondContact O-CA 3.31Å; Q419-C473 PolarHBondContact OE1-SG 3.27Å; C421-C473 HydrophobicContact CB-CB 4.38Å; C421-C473 PolarHBondContact SG-SG 3.04Å; R444-C473 PolarHBondContact NH2-SG 3.39Å; D469-C473 PolarHBondContact O-SG 2.77Å; D469-C473 VanDerWaalsContact O-SG 3.35Å; I470-C473 WeakPolarHBondContact O-CB 3.28Å; I470-C473 PolarHBondContact O-N 3.22Å; I470-C473 VanDerWaalsContact O-N 3.09Å; C473-K504 WeakPolarHBondContact O-CD 3.2Å
474	F	97.1	Very high	94.1	Very high	37 Å²	37	39.9 Å²	39.9	16%	0.162	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	138.1	153.1	-72.9	-97.8	0	0	0	109.6	L394 P395 T418 Q419 V420 C421 K504	L394-F474 HydrophobicContact CD2-CB 3.57Å; L394-F474 HydrophobicContact CD2-CD1 3.87Å; L394-F474 HydrophobicContact CD2-CD2 4.42Å; L394-F474 HydrophobicContact CD2-CG 3.69Å; P395-F474 VanDerWaalsContact CD-CZ 3.44Å; P395-F474 HydrophobicContact CG-CE2 3.71Å; P395-F474 HydrophobicContact CG-CZ 3.68Å; T418-F474 HydrophobicContact CG2-CD2 3.76Å; T418-F474 HydrophobicContact CG2-CE2 4.01Å; Q419-F474 PolarHBondContact O-N 3.13Å; V420-F474 WeakPolarHBondContact CA-O 3.22Å; C421-F474 PolarHBondContact N-O 3.43Å; F474-K504 HydrophobicContact CD1-CB 3.99Å; F474-K504 HydrophobicContact CD1-CG 3.99Å; F474-K504 HydrophobicContact CD2-CD 4.32Å; F474-K504 HydrophobicContact CE1-CB 4.27Å; F474-K504 HydrophobicContact CE1-CG 3.83Å; F474-K504 HydrophobicContact CE2-CD 4.3Å; F474-K504 HydrophobicContact CE2-CG 4.42Å; F474-K504 HydrophobicContact CG-CB 4.39Å; F474-K504 HydrophobicContact CG-CD 4.44Å; F474-K504 HydrophobicContact CG-CG 4.36Å; F474-K504 HydrophobicContact CZ-CD 4.4Å; F474-K504 HydrophobicContact CZ-CG 4.05Å
475	V	98	Very high	94.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	112.7	-174.3	-177.2	0	0	0	0	110.6	C421 V423 I470 L477 L495 V500 K504 I506	C421-V475 WeakPolarHBondContact O-CA 3.48Å; V423-V475 HydrophobicContact CB-CG1 4.04Å; V423-V475 HydrophobicContact CG2-CG1 3.62Å; I470-V475 HydrophobicContact CD1-CG1 4.47Å; I470-V475 HydrophobicContact CD1-CG2 3.96Å; I470-V475 HydrophobicContact CG1-CG2 3.6Å; V475-L477 PolarHBondContact O-N 3.3Å; V475-L495 HydrophobicContact CB-CD1 4.29Å; V475-L495 HydrophobicContact CG1-CD1 3.65Å; V475-L495 HydrophobicContact CG1-CD2 3.98Å; V475-L495 HydrophobicContact CG1-CG 4.48Å; V475-V500 HydrophobicContact CG2-CG1 3.84Å; V475-V500 HydrophobicContact CG2-CG2 4.39Å; V475-K504 PolarHBondContact N-O 3.35Å; V475-I506 PolarHBondContact O-N 3.45Å
476	I	98	Very high	94.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	99.2	170.3	-61.6	173.4	0	0	0	107.1	M391 V420 C421 G422 V423 L436 M478 I506 I508	M391-I476 HydrophobicContact SD-CD1 4Å; V420-I476 HydrophobicContact CG1-CD1 3.83Å; V420-I476 HydrophobicContact CG1-CG1 4.23Å; C421-I476 PolarHBondContact O-N 3.22Å; G422-I476 CarbonylContact C-O 3.56Å; G422-I476 WeakPolarHBondContact CA-O 3.49Å; V423-I476 PolarHBondContact N-O 2.66Å; L436-I476 HydrophobicContact CD1-CD1 3.87Å; L436-I476 HydrophobicContact CD2-CB 4.15Å; L436-I476 HydrophobicContact CD2-CD1 4.36Å; L436-I476 HydrophobicContact CD2-CG2 3.89Å; I476-M478 HydrophobicContact CG2-CG 4.09Å; I476-M478 HydrophobicContact CG2-SD 4.5Å; I476-I506 CarbonylContact C-O 3.54Å; I476-I506 WeakPolarHBondContact CA-O 3.33Å; I476-I508 HydrophobicContact CG2-CD1 3.77Å; I476-I508 HydrophobicContact CG2-CG1 4.05Å; I476-I508 HydrophobicContact CG2-CG2 3.96Å
477	L	98.3	Very high	94	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	128.8	178.1	178.6	65.4	0	0	0	109.3	V423 I425 V475 A491 M492 L495 I505 I506 L507 I508	V423-L477 HydrophobicContact CB-CD1 4.18Å; V423-L477 HydrophobicContact CG1-CD1 3.92Å; V423-L477 CarbonylContact O-C 3.57Å; V423-L477 WeakPolarHBondContact O-CA 3.47Å; I425-L477 HydrophobicContact CD1-CD1 4.11Å; I425-L477 HydrophobicContact CD1-CD2 4.47Å; I425-L477 HydrophobicContact CD1-CG 4.34Å; I425-L477 HydrophobicContact CG1-CD1 3.83Å; I425-L477 HydrophobicContact CG1-CG 4.48Å; V475-L477 PolarHBondContact O-N 3.3Å; L477-A491 HydrophobicContact CD1-CB 3.88Å; L477-A491 HydrophobicContact CD2-CB 4.01Å; L477-M492 HydrophobicContact CD2-CG 3.33Å; L477-M492 HydrophobicContact CD2-SD 4.29Å; L477-L495 HydrophobicContact CB-CD1 4.47Å; L477-L495 HydrophobicContact CD1-CD1 4.5Å; L477-L495 HydrophobicContact CD2-CD1 4.39Å; L477-I505 HydrophobicContact CB-CG2 4.5Å; L477-I506 PolarHBondContact N-O 3.25Å; L477-L507 HydrophobicContact CB-CD1 4.4Å; L477-L507 HydrophobicContact CD2-CD1 4.04Å; L477-L507 HydrophobicContact CG-CD1 4Å; L477-L507 CarbonylContact O-C 3.25Å; L477-L507 WeakPolarHBondContact O-CA 3.48Å; L477-I508 PolarHBondContact O-N 3.48Å
478	M	98	Very high	94.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.1	-165.9	-54.4	-165.7	-63.5	0	0	112	V423 S424 I425 G429 L432 E433 L436 I476 I508	V423-M478 PolarHBondContact O-N 2.79Å; S424-M478 WeakPolarHBondContact OG-CE 3.36Å; I425-M478 PolarHBondContact N-O 3.12Å; G429-M478 WeakPolarHBondContact CA-O 3.29Å; L432-M478 HydrophobicContact CB-CB 4.07Å; L432-M478 HydrophobicContact CB-CE 4.27Å; L432-M478 HydrophobicContact CB-CG 4.32Å; L432-M478 HydrophobicContact CB-SD 3.59Å; L432-M478 VanDerWaalsContact CB-SD 3.59Å; L432-M478 HydrophobicContact CD1-CB 3.8Å; E433-M478 HydrophobicContact CB-CE 4.44Å; E433-M478 HydrophobicContact CG-CE 3.56Å; L436-M478 HydrophobicContact CB-SD 4.15Å; L436-M478 HydrophobicContact CD2-CE 4.23Å; L436-M478 HydrophobicContact CD2-SD 3.45Å; L436-M478 WeakPolarHBondContact CD2-SD 3.47Å; L436-M478 HydrophobicContact CG-SD 4.45Å; I476-M478 HydrophobicContact CG2-CG 4.09Å; I476-M478 HydrophobicContact CG2-SD 4.5Å; M478-I508 HydrophobicContact CB-CG1 4.26Å; M478-I508 HydrophobicContact CG-CD1 3.88Å; M478-I508 HydrophobicContact CG-CG1 3.85Å; M478-I508 HydrophobicContact SD-CD1 4.1Å
479	D	96.5	Very high	94.3	Very high	15 Å²	15	18 Å²	18	8%	0.08	10%	0.1	C	C	.	.			trans	-150	125.6	170.4	-170.9	-4.3	0	0	0	109.5	I425 T481 V482 I508 S509	I425-D479 HydrophobicContact CB-CB 4.2Å; I425-D479 HydrophobicContact CD1-CB 4.11Å; I425-D479 HydrophobicContact CG1-CB 4.38Å; D479-T481 VanDerWaalsContact C-N 3.26Å; D479-T481 PolarHBondContact O-N 3.21Å; D479-V482 HydrophobicContact CB-CG2 4.18Å; D479-I508 PolarHBondContact N-O 2.94Å; D479-S509 WeakPolarHBondContact O-CA 3.48Å; D479-S509 WeakPolarHBondContact O-CB 3.39Å; D479-S509 PolarHBondContact O-OG 2.65Å
480	A	95.5	Very high	94.3	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-61.1	-33.4	-172.9	0	0	0	0	0	113.3	A428 V431 S509 L510 I511 F551	A428-A480 HydrophobicContact CB-CB 4.22Å; A428-A480 WeakPolarHBondContact O-CB 3.48Å; V431-A480 HydrophobicContact CG2-CB 4.01Å; A480-S509 PolarHBondContact O-OG 3.3Å; A480-L510 WeakPolarHBondContact O-CB 3.33Å; A480-L510 PolarHBondContact O-N 2.89Å; A480-I511 PolarHBondContact O-N 3.14Å; A480-F551 HydrophobicContact CB-CB 4.33Å; A480-F551 HydrophobicContact CB-CD1 3.45Å; A480-F551 VanDerWaalsContact CB-CD1 3.45Å; A480-F551 HydrophobicContact CB-CD2 4.2Å; A480-F551 HydrophobicContact CB-CE1 3.79Å; A480-F551 HydrophobicContact CB-CE2 4.46Å; A480-F551 HydrophobicContact CB-CG 3.71Å; A480-F551 HydrophobicContact CB-CZ 4.27Å
481	T	95.3	Very high	94.3	Very high	30 Å²	30	15.9 Å²	15.9	18%	0.184	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	119.1	-178.5	55.2	0	0	0	0	112.9	D479 S509 I511 V548 F551	D479-T481 VanDerWaalsContact C-N 3.26Å; D479-T481 PolarHBondContact O-N 3.21Å; T481-S509 WeakPolarHBondContact CA-OG 3.47Å; T481-S509 PolarHBondContact N-OG 3.44Å; T481-I511 CarbonylContact C-O 3.55Å; T481-I511 VanDerWaalsContact CA-O 3.27Å; T481-I511 WeakPolarHBondContact CA-O 3.49Å; T481-I511 HydrophobicContact CG2-CB 4.47Å; T481-V548 HydrophobicContact CG2-CG2 3.86Å; T481-F551 HydrophobicContact CG2-CB 3.89Å; T481-F551 HydrophobicContact CG2-CD2 4.2Å; T481-F551 HydrophobicContact CG2-CG 4.32Å
482	V	94.6	Very high	94.4	Very high	4 Å²	4	11.1 Å²	11.1	2%	0.024	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	104.7	179.9	-178.9	0	0	0	0	111.4	D479 A488 S509 I511 M512 A513	D479-V482 HydrophobicContact CB-CG2 4.18Å; V482-A488 HydrophobicContact CG1-CB 4.31Å; V482-S509 PolarHBondContact N-OG 3.39Å; V482-I511 PolarHBondContact N-O 2.98Å; V482-M512 HydrophobicContact CB-CB 4.45Å; V482-M512 HydrophobicContact CB-CE 3.75Å; V482-M512 HydrophobicContact CB-CG 4.05Å; V482-M512 HydrophobicContact CG1-CE 3.81Å; V482-M512 HydrophobicContact CG2-CE 4.15Å; V482-M512 WeakPolarHBondContact O-CA 3.42Å; V482-A513 PolarHBondContact O-N 3.46Å
483	A	92.5	Very high	94.2	Very high	23 Å²	23	8.3 Å²	8.3	19%	0.19	5%	0.051	C	C	.	.	S	Bend	trans	-81.1	-90.2	-179.9	0	0	0	0	0	113	G485 G516 L538 Y542 I544	A483-G485 PolarHBondContact O-N 3.16Å; A483-G516 WeakPolarHBondContact O-CA 3.16Å; A483-G516 PolarHBondContact O-N 3.35Å; A483-L538 HydrophobicContact CB-CD2 3.79Å; A483-Y542 WeakPolarHBondContact CB-O 3.42Å; A483-I544 HydrophobicContact CB-CD1 4.4Å; A483-I544 HydrophobicContact CB-CG1 3.85Å
484	T	89.7	Confident	94	Very high	6 Å²	6	8.5 Å²	8.5	4%	0.037	5%	0.051	C	C	.	.	S	Bend	trans	-78.5	-1.7	179.3	56.4	0	0	0	0	114.1	R282 A286 A486 L538 Y542	R282-T484 HydrophobicContact CG-CG2 4.24Å; A286-T484 HydrophobicContact CB-CG2 3.96Å; T484-A486 PolarHBondContact O-N 3.31Å; T484-A486 VanDerWaalsContact O-N 3.07Å; T484-A486 PolarHBondContact OG1-N 3.25Å; T484-L538 HydrophobicContact CG2-CD1 3.54Å; T484-Y542 HydrophobicContact CG2-CD1 3.93Å; T484-Y542 HydrophobicContact CG2-CG 4.19Å
485	G	90.9	Very high	93.9	Very high	2 Å²	2	6.7 Å²	6.7	2%	0.021	4%	0.044	C	C	.	.	S	Bend	trans	73.3	-16.7	-170.3	0	0	0	0	0	115.1	A483 A487 A488 I489	A483-G485 PolarHBondContact O-N 3.16Å; G485-A487 PolarHBondContact O-N 3.05Å; G485-A488 WeakPolarHBondContact O-CB 3.44Å; G485-A488 PolarHBondContact O-N 3.22Å; G485-I489 WeakPolarHBondContact O-CG1 3.38Å; G485-I489 PolarHBondContact O-N 2.63Å
486	A	89.3	Confident	93.6	Very high	2 Å²	2	8.7 Å²	8.7	2%	0.017	6%	0.056	C	C	.	.	H	α-helix	trans	-58.7	-38.8	-167.5	0	0	0	0	0	114.8	Y63 R282 F285 P459 T484 M490	Y63-A486 PolarHBondContact OH-O 3.15Å; R282-A486 HydrophobicContact CG-CB 4.4Å; F285-A486 HydrophobicContact CD2-CB 3.98Å; F285-A486 HydrophobicContact CE2-CB 4.49Å; P459-A486 HydrophobicContact CG-CB 4.12Å; T484-A486 PolarHBondContact O-N 3.31Å; T484-A486 VanDerWaalsContact O-N 3.07Å; T484-A486 PolarHBondContact OG1-N 3.25Å; A486-M490 PolarHBondContact O-N 3.5Å; A486-M490 VanDerWaalsContact O-N 3.07Å
487	A	91.8	Very high	93.2	Very high	30 Å²	30	8.8 Å²	8.8	25%	0.248	6%	0.056	C	C	.	.	H	α-helix	trans	-71.3	-41.1	175.6	0	0	0	0	0	112.4	I450 G485 I489 M490 A491	I450-A487 WeakPolarHBondContact CD1-O 3.42Å; I450-A487 HydrophobicContact CG2-CB 4Å; G485-A487 PolarHBondContact O-N 3.05Å; A487-I489 VanDerWaalsContact C-N 3.34Å; A487-I489 PolarHBondContact O-N 2.76Å; A487-M490 PolarHBondContact O-N 2.79Å; A487-A491 PolarHBondContact O-N 2.92Å
488	A	94.1	Very high	92.9	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.008	6%	0.062	C	C	.	.	H	α-helix	trans	-62	-42.1	173.3	0	0	0	0	0	111.4	I425 V482 G485 M490 A491 M492 L507 V520	I425-A488 HydrophobicContact CD1-CB 4.45Å; V482-A488 HydrophobicContact CG1-CB 4.31Å; G485-A488 WeakPolarHBondContact O-CB 3.44Å; G485-A488 PolarHBondContact O-N 3.22Å; A488-M490 PolarHBondContact O-N 2.83Å; A488-A491 PolarHBondContact O-N 3.4Å; A488-M492 WeakPolarHBondContact O-CB 3.26Å; A488-M492 WeakPolarHBondContact O-CG 3.43Å; A488-M492 PolarHBondContact O-N 2.75Å; A488-L507 HydrophobicContact CB-CD1 4.28Å; A488-L507 HydrophobicContact CB-CD2 3.96Å; A488-V520 HydrophobicContact CB-CG2 4.03Å
489	I	92.7	Very high	92.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-61	-42.9	175.4	-67.8	170.1	0	0	0	111.2	Y63 F285 G485 A487 R493 V520 T523 Y524	Y63-I489 HydrophobicContact CD2-CG2 4.22Å; Y63-I489 HydrophobicContact CE2-CG2 3.56Å; F285-I489 HydrophobicContact CD1-CD1 3.88Å; F285-I489 HydrophobicContact CE1-CD1 3.45Å; F285-I489 VanDerWaalsContact CE1-CD1 3.45Å; F285-I489 HydrophobicContact CE2-CD1 4.28Å; F285-I489 HydrophobicContact CG-CD1 4.47Å; F285-I489 HydrophobicContact CZ-CD1 3.69Å; F285-I489 HydrophobicContact CZ-CG2 4.27Å; G485-I489 WeakPolarHBondContact O-CG1 3.38Å; G485-I489 PolarHBondContact O-N 2.63Å; A487-I489 VanDerWaalsContact C-N 3.34Å; A487-I489 PolarHBondContact O-N 2.76Å; I489-R493 VanDerWaalsContact O-CB 3.28Å; I489-R493 WeakPolarHBondContact O-CB 3.46Å; I489-R493 PolarHBondContact O-N 3.41Å; I489-V520 HydrophobicContact CG1-CG2 4.02Å; I489-T523 HydrophobicContact CG2-CG2 4.06Å; I489-Y524 HydrophobicContact CB-CE2 4.49Å; I489-Y524 HydrophobicContact CG2-CE2 4.14Å; I489-Y524 PolarHBondContact O-OH 3.41Å
490	M	90.9	Very high	92.6	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.8	-43.9	174.8	-177.1	168.4	-80.3	0	0	112	P61 W62 Y63 I450 P459 L461 A486 A487 A488 R493 I494	P61-M490 HydrophobicContact CB-CE 4.33Å; P61-M490 HydrophobicContact CG-CE 3.99Å; W62-M490 HydrophobicContact CE3-CE 4.27Å; W62-M490 HydrophobicContact CH2-CG 3.95Å; W62-M490 HydrophobicContact CZ3-CE 3.73Å; W62-M490 HydrophobicContact CZ3-CG 4.08Å; W62-M490 HydrophobicContact CZ3-SD 4.12Å; Y63-M490 HydrophobicContact CE1-CB 4.35Å; Y63-M490 HydrophobicContact CE1-CE 4.22Å; Y63-M490 WeakPolarHBondContact OH-CA 3.21Å; Y63-M490 WeakPolarHBondContact OH-CB 3.3Å; Y63-M490 PolarHBondContact OH-N 2.96Å; I450-M490 HydrophobicContact CD1-CB 3.89Å; I450-M490 HydrophobicContact CD1-CG 3.86Å; I450-M490 HydrophobicContact CD1-SD 4.2Å; I450-M490 HydrophobicContact CG1-CG 4.25Å; I450-M490 HydrophobicContact CG1-SD 3.94Å; I450-M490 HydrophobicContact CG2-SD 4.15Å; P459-M490 HydrophobicContact CB-CE 4.34Å; P459-M490 HydrophobicContact CB-SD 4.37Å; P459-M490 HydrophobicContact CG-CE 4.14Å; P459-M490 VanDerWaalsContact O-CE 3.3Å; P459-M490 WeakPolarHBondContact O-CE 3.4Å; L461-M490 HydrophobicContact CB-SD 3.99Å; A486-M490 PolarHBondContact O-N 3.5Å; A486-M490 VanDerWaalsContact O-N 3.07Å; A487-M490 PolarHBondContact O-N 2.79Å; A488-M490 PolarHBondContact O-N 2.83Å; M490-R493 WeakPolarHBondContact O-CB 3.43Å; M490-R493 PolarHBondContact O-N 3.24Å; M490-I494 HydrophobicContact CG-CD1 4.17Å; M490-I494 WeakPolarHBondContact O-CD1 3.1Å; M490-I494 VanDerWaalsContact O-CG1 3.29Å; M490-I494 WeakPolarHBondContact O-CG1 3.28Å; M490-I494 PolarHBondContact O-N 2.99Å
491	A	94.7	Very high	92.6	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-65.7	-43.7	178.2	0	0	0	0	0	112.3	I425 I448 I450 L477 A487 A488 R493 I494 L495	I425-A491 HydrophobicContact CD1-CB 3.52Å; I425-A491 HydrophobicContact CG1-CB 3.89Å; I448-A491 HydrophobicContact CD1-CB 4.19Å; I450-A491 HydrophobicContact CD1-CB 3.98Å; L477-A491 HydrophobicContact CD1-CB 3.88Å; L477-A491 HydrophobicContact CD2-CB 4.01Å; A487-A491 PolarHBondContact O-N 2.92Å; A488-A491 PolarHBondContact O-N 3.4Å; A491-R493 VanDerWaalsContact C-N 3.31Å; A491-R493 PolarHBondContact O-N 2.79Å; A491-I494 WeakPolarHBondContact O-CB 3.47Å; A491-I494 PolarHBondContact O-N 3.43Å; A491-L495 WeakPolarHBondContact O-CG 3.47Å; A491-L495 PolarHBondContact O-N 2.88Å
492	M	94.7	Very high	92.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-64.2	-36.2	174.9	-66.6	173.1	76.4	0	0	111.8	L477 A488 I494 L495 V496 I505 V520 Y524 A527	L477-M492 HydrophobicContact CD2-CG 3.33Å; L477-M492 HydrophobicContact CD2-SD 4.29Å; A488-M492 WeakPolarHBondContact O-CB 3.26Å; A488-M492 WeakPolarHBondContact O-CG 3.43Å; A488-M492 PolarHBondContact O-N 2.75Å; M492-I494 PolarHBondContact O-N 3.2Å; M492-L495 PolarHBondContact O-N 3.46Å; M492-V496 WeakPolarHBondContact O-CG2 3.26Å; M492-V496 PolarHBondContact O-N 2.87Å; M492-I505 HydrophobicContact CE-CG2 3.98Å; M492-I505 HydrophobicContact CG-CG2 4.21Å; M492-V520 HydrophobicContact CE-CG1 4.16Å; M492-V520 HydrophobicContact SD-CG1 3.56Å; M492-V520 VanDerWaalsContact SD-CG1 3.56Å; M492-Y524 HydrophobicContact CB-CD2 3.74Å; M492-Y524 HydrophobicContact CB-CE2 3.43Å; M492-Y524 VanDerWaalsContact CB-CE2 3.43Å; M492-Y524 HydrophobicContact CB-CG 4.44Å; M492-Y524 HydrophobicContact CE-CD2 3.55Å; M492-Y524 HydrophobicContact CE-CE2 4.46Å; M492-Y524 HydrophobicContact CE-CG 3.67Å; M492-Y524 HydrophobicContact CG-CD2 4.36Å; M492-Y524 HydrophobicContact CG-CE2 4.43Å; M492-Y524 HydrophobicContact SD-CD2 3.77Å; M492-Y524 HydrophobicContact SD-CE2 4.32Å; M492-Y524 HydrophobicContact SD-CG 4.49Å; M492-A527 HydrophobicContact CE-CB 3.27Å
493	R	90.4	Very high	92.7	Very high	25 Å²	25	18.1 Å²	18.1	9%	0.094	11%	0.105	C	C	.	.	H	α-helix	trans	-59.8	-45.8	172.5	-176.2	67.2	-146.3	-179.8	8	111.1	W62 Y63 T69 I489 M490 A491 L495 V496 E497 Y524	W62-R493 HydrophobicContact CZ2-CB 4.44Å; W62-R493 HydrophobicContact CZ2-CG 3.83Å; Y63-R493 HydrophobicContact CD1-CB 4.47Å; Y63-R493 HydrophobicContact CD1-CG 3.99Å; Y63-R493 HydrophobicContact CE1-CB 4.47Å; Y63-R493 HydrophobicContact CE1-CG 4.42Å; T69-R493 VanDerWaalsContact CG2-NH2 3.29Å; T69-R493 PolarHBondContact OG1-NH1 3.46Å; T69-R493 PolarHBondContact OG1-NH2 2.83Å; I489-R493 VanDerWaalsContact O-CB 3.28Å; I489-R493 WeakPolarHBondContact O-CB 3.46Å; I489-R493 PolarHBondContact O-N 3.41Å; M490-R493 WeakPolarHBondContact O-CB 3.43Å; M490-R493 PolarHBondContact O-N 3.24Å; A491-R493 VanDerWaalsContact C-N 3.31Å; A491-R493 PolarHBondContact O-N 2.79Å; R493-L495 VanDerWaalsContact C-N 3.33Å; R493-L495 PolarHBondContact O-N 2.75Å; R493-V496 PolarHBondContact O-N 2.83Å; R493-E497 IonicContact CZ-OE1 3.41Å; R493-E497 VanDerWaalsContact CZ-OE1 3.22Å; R493-E497 IonicContact NE-OE1 3.38Å; R493-E497 PolarHBondContact NE-OE1 3.14Å; R493-E497 IonicContact NH2-OE1 3.78Å; R493-E497 PolarHBondContact NH2-OE1 2.81Å; R493-E497 WeakPolarHBondContact O-CG 3.27Å; R493-E497 PolarHBondContact O-N 2.63Å; R493-Y524 WeakPolarHBondContact CA-OH 3.28Å; R493-Y524 WeakPolarHBondContact CB-OH 3.36Å; R493-Y524 PolarHBondContact N-OH 3.47Å
494	I	91.3	Very high	92.9	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.015	11%	0.105	C	C	.	.	H	α-helix	trans	-60.2	-41.7	176.3	-67.9	159.7	0	0	0	111.1	W62 I448 L461 I464 L466 M490 A491 M492 E497 H498	W62-I494 HydrophobicContact CH2-CD1 4.15Å; W62-I494 HydrophobicContact CH2-CG1 3.75Å; W62-I494 HydrophobicContact CZ2-CG1 3.98Å; I448-I494 HydrophobicContact CD1-CB 4.36Å; I448-I494 HydrophobicContact CD1-CD1 4.44Å; I448-I494 HydrophobicContact CD1-CG2 4.07Å; I448-I494 HydrophobicContact CG2-CD1 3.85Å; L461-I494 HydrophobicContact CD1-CD1 3.57Å; L461-I494 HydrophobicContact CD2-CD1 3.9Å; L461-I494 HydrophobicContact CG-CD1 4.28Å; I464-I494 HydrophobicContact CD1-CD1 4.14Å; I464-I494 HydrophobicContact CD1-CG1 4.25Å; I464-I494 HydrophobicContact CD1-CG2 3.61Å; I464-I494 HydrophobicContact CG1-CD1 4.5Å; I464-I494 HydrophobicContact CG1-CG2 4.34Å; L466-I494 HydrophobicContact CD1-CG2 4.18Å; M490-I494 HydrophobicContact CG-CD1 4.17Å; M490-I494 WeakPolarHBondContact O-CD1 3.1Å; M490-I494 VanDerWaalsContact O-CG1 3.29Å; M490-I494 WeakPolarHBondContact O-CG1 3.28Å; M490-I494 PolarHBondContact O-N 2.99Å; A491-I494 WeakPolarHBondContact O-CB 3.47Å; A491-I494 PolarHBondContact O-N 3.43Å; M492-I494 PolarHBondContact O-N 3.2Å; I494-E497 PolarHBondContact O-N 2.93Å; I494-H498 PolarHBondContact O-N 3.15Å; I494-H498 PolarHBondContact O-ND1 2.99Å
495	L	94.5	Very high	93.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.2	-49.2	176.5	-64.8	176	0	0	0	111.7	V423 L466 I470 V475 L477 A491 M492 R493 E497 H498 V500 I505	V423-L495 HydrophobicContact CG2-CD2 4.3Å; L466-L495 HydrophobicContact CD1-CD2 4.39Å; I470-L495 HydrophobicContact CD1-CD2 3.51Å; V475-L495 HydrophobicContact CB-CD1 4.29Å; V475-L495 HydrophobicContact CG1-CD1 3.65Å; V475-L495 HydrophobicContact CG1-CD2 3.98Å; V475-L495 HydrophobicContact CG1-CG 4.48Å; L477-L495 HydrophobicContact CB-CD1 4.47Å; L477-L495 HydrophobicContact CD1-CD1 4.5Å; L477-L495 HydrophobicContact CD2-CD1 4.39Å; A491-L495 WeakPolarHBondContact O-CG 3.47Å; A491-L495 PolarHBondContact O-N 2.88Å; M492-L495 PolarHBondContact O-N 3.46Å; R493-L495 VanDerWaalsContact C-N 3.33Å; R493-L495 PolarHBondContact O-N 2.75Å; L495-E497 PolarHBondContact O-N 3.37Å; L495-H498 CarbonylContact O-C 3.52Å; L495-H498 WeakPolarHBondContact O-CA 3.22Å; L495-H498 PolarHBondContact O-N 2.91Å; L495-V500 HydrophobicContact CB-CB 4.1Å; L495-V500 HydrophobicContact CB-CG1 4.49Å; L495-V500 HydrophobicContact CB-CG2 4.14Å; L495-V500 HydrophobicContact CD2-CG2 4.47Å; L495-V500 VanDerWaalsContact O-CB 3.26Å; L495-V500 WeakPolarHBondContact O-CB 3.45Å; L495-V500 VanDerWaalsContact O-CG2 3.23Å; L495-V500 WeakPolarHBondContact O-CG2 3.43Å; L495-V500 PolarHBondContact O-N 3.05Å; L495-I505 HydrophobicContact CB-CD1 3.88Å; L495-I505 HydrophobicContact CD1-CD1 4.05Å; L495-I505 HydrophobicContact CD1-CG1 4.21Å; L495-I505 HydrophobicContact CD1-CG2 4.02Å
496	V	92.6	Very high	93.6	Very high	41 Å²	41	18.8 Å²	18.8	25%	0.248	10%	0.103	C	C	.	.	H	α-helix	trans	-61.7	-32	177.8	173.8	0	0	0	0	112	M492 R493 H498 D499 I505 Y524	M492-V496 WeakPolarHBondContact O-CG2 3.26Å; M492-V496 PolarHBondContact O-N 2.87Å; R493-V496 PolarHBondContact O-N 2.83Å; V496-H498 VanDerWaalsContact C-N 3.28Å; V496-H498 PolarHBondContact O-N 2.68Å; V496-D499 PolarHBondContact O-N 2.87Å; V496-D499 VanDerWaalsContact O-N 3.1Å; V496-I505 HydrophobicContact CG2-CD1 4.1Å; V496-Y524 HydrophobicContact CG2-CE1 4.27Å
497	E	88.7	Confident	94.1	Very high	3 Å²	3	18.7 Å²	18.7	1%	0.014	10%	0.102	C	C	.	.	H	α-helix	trans	-70.7	-20.7	174.9	-72.6	180	175	0	0	113.9	R59 W62 G149 T151 R493 I494 L495 D499	R59-E497 IonicContact NH1-OE2 2.9Å; W62-E497 WeakPolarHBondContact CZ2-OE2 3.47Å; W62-E497 PolarHBondContact NE1-OE1 3.49Å; W62-E497 PolarHBondContact NE1-OE2 2.96Å; G149-E497 WeakPolarHBondContact O-CG 3.07Å; T151-E497 HydrophobicContact CG2-CB 4.46Å; T151-E497 PolarHBondContact N-O 2.92Å; T151-E497 PolarHBondContact OG1-O 3.35Å; R493-E497 IonicContact CZ-OE1 3.41Å; R493-E497 VanDerWaalsContact CZ-OE1 3.22Å; R493-E497 IonicContact NE-OE1 3.38Å; R493-E497 PolarHBondContact NE-OE1 3.14Å; R493-E497 IonicContact NH2-OE1 3.78Å; R493-E497 PolarHBondContact NH2-OE1 2.81Å; R493-E497 WeakPolarHBondContact O-CG 3.27Å; R493-E497 PolarHBondContact O-N 2.63Å; I494-E497 PolarHBondContact O-N 2.93Å; L495-E497 PolarHBondContact O-N 3.37Å; E497-D499 VanDerWaalsContact C-N 3.26Å
498	H	91.1	Very high	94.4	Very high	27 Å²	27	17.3 Å²	17.3	13%	0.125	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	21.6	168.9	-66.9	73.9	0	0	0	112.6	Y172 I470 K471 I494 L495 V496 V500	Y172-H498 AromaticContact CD1-CE1 3.98Å; Y172-H498 AromaticContact CE1-CE1 3.63Å; Y172-H498 AromaticContact CE1-NE2 3.55Å; I470-H498 HydrophobicContact CG2-CB 4.02Å; K471-H498 WeakPolarHBondContact CB-O 3.17Å; I494-H498 PolarHBondContact O-N 3.15Å; I494-H498 PolarHBondContact O-ND1 2.99Å; L495-H498 CarbonylContact O-C 3.52Å; L495-H498 WeakPolarHBondContact O-CA 3.22Å; L495-H498 PolarHBondContact O-N 2.91Å; V496-H498 VanDerWaalsContact C-N 3.28Å; V496-H498 PolarHBondContact O-N 2.68Å; H498-V500 PolarHBondContact O-N 2.82Å
499	D	93.3	Very high	94.5	Very high	52 Å²	52	17.2 Å²	17.2	28%	0.278	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	21.2	-177	-68.6	-56.1	0	0	0	114.9	R145 K150 K471 V496 E497 P501	R145-D499 IonicContact CZ-OD2 2.99Å; R145-D499 IonicContact NH1-OD1 3.3Å; R145-D499 IonicContact NH1-OD2 3.25Å; R145-D499 PolarHBondContact NH1-OD2 2.93Å; R145-D499 IonicContact NH2-OD2 2.75Å; R145-D499 PolarHBondContact NH2-OD2 2.77Å; K150-D499 WeakPolarHBondContact CD-OD1 3.39Å; K150-D499 WeakPolarHBondContact CE-OD1 3.42Å; K150-D499 IonicContact NZ-OD1 3.49Å; K150-D499 PolarHBondContact NZ-OD1 3.08Å; K471-D499 HydrophobicContact CB-CB 4.18Å; V496-D499 PolarHBondContact O-N 2.87Å; V496-D499 VanDerWaalsContact O-N 3.1Å; E497-D499 VanDerWaalsContact C-N 3.26Å; D499-P501 WeakPolarHBondContact O-CD 3.42Å
500	V	96	Very high	94.7	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.024	9%	0.09	C	C	.	.			trans	-69	124.5	170.8	-176.7	0	0	0	0	109.7	I470 V475 L495 H498 E502 I505	I470-V500 HydrophobicContact CB-CG2 4.43Å; I470-V500 HydrophobicContact CD1-CG2 4.45Å; I470-V500 HydrophobicContact CG1-CG2 3.94Å; I470-V500 HydrophobicContact CG2-CG2 4.04Å; V475-V500 HydrophobicContact CG2-CG1 3.84Å; V475-V500 HydrophobicContact CG2-CG2 4.39Å; L495-V500 HydrophobicContact CB-CB 4.1Å; L495-V500 HydrophobicContact CB-CG1 4.49Å; L495-V500 HydrophobicContact CB-CG2 4.14Å; L495-V500 HydrophobicContact CD2-CG2 4.47Å; L495-V500 VanDerWaalsContact O-CB 3.26Å; L495-V500 WeakPolarHBondContact O-CB 3.45Å; L495-V500 VanDerWaalsContact O-CG2 3.23Å; L495-V500 WeakPolarHBondContact O-CG2 3.43Å; L495-V500 PolarHBondContact O-N 3.05Å; H498-V500 PolarHBondContact O-N 2.82Å; V500-E502 PolarHBondContact O-N 3.3Å; V500-I505 HydrophobicContact CG1-CD1 4.32Å; V500-I505 HydrophobicContact CG1-CG1 3.87Å
501	P	95.7	Very high	95	Very high	43 Å²	43	17.2 Å²	17.2	28%	0.279	9%	0.09	S	C	.	.			trans	-62.7	134.2	174.5	-21.7	33.1	0	0	0	111.7	K471 D499 D503 K504	K471-P501 WeakPolarHBondContact O-CD 3.45Å; D499-P501 WeakPolarHBondContact O-CD 3.42Å; P501-D503 VanDerWaalsContact CB-OD1 3.31Å; P501-D503 WeakPolarHBondContact CB-OD1 3.45Å; P501-D503 PolarHBondContact O-N 3.08Å; P501-K504 HydrophobicContact CB-CB 4.35Å; P501-K504 HydrophobicContact CB-CD 4.45Å; P501-K504 HydrophobicContact CB-CG 4.09Å; P501-K504 HydrophobicContact CG-CD 4.05Å; P501-K504 HydrophobicContact CG-CG 4.25Å; P501-K504 WeakPolarHBondContact O-CB 3.24Å; P501-K504 PolarHBondContact O-N 3.37Å
502	E	95.3	Very high	95	Very high	33 Å²	33	17.2 Å²	17.2	15%	0.154	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-55.1	-38.8	-177.9	-169.8	-163	154.6	0	0	113	V500 K504 I505 Y524 P525 K526 A527	V500-E502 PolarHBondContact O-N 3.3Å; E502-K504 VanDerWaalsContact C-N 3.27Å; E502-K504 PolarHBondContact O-N 2.85Å; E502-I505 PolarHBondContact O-N 3.06Å; E502-Y524 HydrophobicContact CG-CD1 4.08Å; E502-Y524 VanDerWaalsContact OE1-CA 3.28Å; E502-Y524 WeakPolarHBondContact OE1-CA 3.48Å; E502-P525 VanDerWaalsContact OE1-CD 3.26Å; E502-P525 WeakPolarHBondContact OE1-CD 3.43Å; E502-P525 VanDerWaalsContact OE1-N 3.1Å; E502-K526 HydrophobicContact CB-CB 4.26Å; E502-K526 HydrophobicContact CG-CB 3.94Å; E502-K526 HydrophobicContact CG-CG 4.5Å; E502-K526 WeakPolarHBondContact OE1-CB 3.18Å; E502-K526 WeakPolarHBondContact OE1-CG 3.29Å; E502-K526 PolarHBondContact OE1-N 2.93Å; E502-K526 IonicContact OE2-NZ 3.39Å; E502-K526 PolarHBondContact OE2-NZ 3.02Å; E502-A527 WeakPolarHBondContact O-CA 3.33Å
503	D	96.2	Very high	95	Very high	85 Å²	85	17.2 Å²	17.2	46%	0.455	9%	0.09	S	C	.	.	G	3₁₀ helix	trans	-74	-11.6	178.3	59.8	-53.9	0	0	0	114.3	P501 K526	P501-D503 VanDerWaalsContact CB-OD1 3.31Å; P501-D503 WeakPolarHBondContact CB-OD1 3.45Å; P501-D503 PolarHBondContact O-N 3.08Å; D503-K526 HydrophobicContact CB-CB 4.08Å
504	K	97.1	Very high	95.1	Very high	44 Å²	44	16.6 Å²	16.6	19%	0.191	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-90.4	-3	170.2	-70.7	-163.8	-166.7	168.1	0	113.6	D472 C473 F474 V475 P501 E502	D472-K504 PolarHBondContact O-NZ 2.94Å; C473-K504 WeakPolarHBondContact O-CD 3.2Å; F474-K504 HydrophobicContact CD1-CB 3.99Å; F474-K504 HydrophobicContact CD1-CG 3.99Å; F474-K504 HydrophobicContact CD2-CD 4.32Å; F474-K504 HydrophobicContact CE1-CB 4.27Å; F474-K504 HydrophobicContact CE1-CG 3.83Å; F474-K504 HydrophobicContact CE2-CD 4.3Å; F474-K504 HydrophobicContact CE2-CG 4.42Å; F474-K504 HydrophobicContact CG-CB 4.39Å; F474-K504 HydrophobicContact CG-CD 4.44Å; F474-K504 HydrophobicContact CG-CG 4.36Å; F474-K504 HydrophobicContact CZ-CD 4.4Å; F474-K504 HydrophobicContact CZ-CG 4.05Å; V475-K504 PolarHBondContact N-O 3.35Å; P501-K504 HydrophobicContact CB-CB 4.35Å; P501-K504 HydrophobicContact CB-CD 4.45Å; P501-K504 HydrophobicContact CB-CG 4.09Å; P501-K504 HydrophobicContact CG-CD 4.05Å; P501-K504 HydrophobicContact CG-CG 4.25Å; P501-K504 WeakPolarHBondContact O-CB 3.24Å; P501-K504 PolarHBondContact O-N 3.37Å; E502-K504 VanDerWaalsContact C-N 3.27Å; E502-K504 PolarHBondContact O-N 2.85Å
505	I	98	Very high	94.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	126.3	-179.8	-55.1	175.1	0	0	0	110	L477 M492 L495 V496 V500 E502 A527 H528	L477-I505 HydrophobicContact CB-CG2 4.5Å; M492-I505 HydrophobicContact CE-CG2 3.98Å; M492-I505 HydrophobicContact CG-CG2 4.21Å; L495-I505 HydrophobicContact CB-CD1 3.88Å; L495-I505 HydrophobicContact CD1-CD1 4.05Å; L495-I505 HydrophobicContact CD1-CG1 4.21Å; L495-I505 HydrophobicContact CD1-CG2 4.02Å; V496-I505 HydrophobicContact CG2-CD1 4.1Å; V500-I505 HydrophobicContact CG1-CD1 4.32Å; V500-I505 HydrophobicContact CG1-CG1 3.87Å; E502-I505 PolarHBondContact O-N 3.06Å; I505-A527 HydrophobicContact CB-CB 4.29Å; I505-H528 PolarHBondContact O-N 3.39Å
506	I	98.2	Very high	94.8	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.01	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	102.6	175.9	-52.8	168.3	0	0	0	107.8	A390 L393 L394 V475 I476 L477 I508 H528 V530	A390-I506 HydrophobicContact CB-CG2 4.09Å; L393-I506 HydrophobicContact CB-CD1 4.07Å; L393-I506 HydrophobicContact CD1-CG2 4.08Å; L394-I506 HydrophobicContact CD2-CD1 4Å; V475-I506 PolarHBondContact O-N 3.45Å; I476-I506 CarbonylContact C-O 3.54Å; I476-I506 WeakPolarHBondContact CA-O 3.33Å; L477-I506 PolarHBondContact N-O 3.25Å; I506-I508 HydrophobicContact CG2-CG2 4.1Å; I506-H528 CarbonylContact C-O 3.54Å; I506-H528 WeakPolarHBondContact CA-O 3.32Å; I506-H528 HydrophobicContact CG1-CB 4.28Å; I506-H528 HydrophobicContact CG2-CB 4.26Å; I506-V530 HydrophobicContact CG2-CG2 3.77Å
507	L	98.3	Very high	94.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	126.3	171.2	174.4	65.2	0	0	0	109.6	L477 A488 M512 V520 H528 I529 V530	L477-L507 HydrophobicContact CB-CD1 4.4Å; L477-L507 HydrophobicContact CD2-CD1 4.04Å; L477-L507 HydrophobicContact CG-CD1 4Å; L477-L507 CarbonylContact O-C 3.25Å; L477-L507 WeakPolarHBondContact O-CA 3.48Å; A488-L507 HydrophobicContact CB-CD1 4.28Å; A488-L507 HydrophobicContact CB-CD2 3.96Å; L507-M512 HydrophobicContact CD2-CE 3.98Å; L507-V520 HydrophobicContact CD2-CG1 3.93Å; L507-V520 HydrophobicContact CD2-CG2 4.36Å; L507-H528 PolarHBondContact N-O 2.91Å; L507-I529 HydrophobicContact CD2-CG1 4.49Å; L507-I529 CarbonylContact O-C 3.57Å; L507-I529 WeakPolarHBondContact O-CA 3.35Å; L507-V530 PolarHBondContact O-N 2.58Å
508	I	98.1	Very high	94.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	137.4	173.9	73.4	169.1	0	0	0	110.7	L386 A390 L432 I476 L477 M478 D479 I506 V530	L386-I508 HydrophobicContact CD1-CB 4.26Å; L386-I508 HydrophobicContact CD2-CB 4.29Å; L386-I508 HydrophobicContact CG-CB 4.17Å; L386-I508 HydrophobicContact CG-CD1 4.49Å; A390-I508 HydrophobicContact CB-CG2 3.61Å; L432-I508 HydrophobicContact CD1-CD1 4.44Å; L432-I508 HydrophobicContact CD1-CG1 4.31Å; L432-I508 HydrophobicContact CD2-CD1 4.3Å; I476-I508 HydrophobicContact CG2-CD1 3.77Å; I476-I508 HydrophobicContact CG2-CG1 4.05Å; I476-I508 HydrophobicContact CG2-CG2 3.96Å; L477-I508 PolarHBondContact O-N 3.48Å; M478-I508 HydrophobicContact CB-CG1 4.26Å; M478-I508 HydrophobicContact CG-CD1 3.88Å; M478-I508 HydrophobicContact CG-CG1 3.85Å; M478-I508 HydrophobicContact SD-CD1 4.1Å; D479-I508 PolarHBondContact N-O 2.94Å; I506-I508 HydrophobicContact CG2-CG2 4.1Å; I508-V530 WeakPolarHBondContact CA-O 3.27Å; I508-V530 HydrophobicContact CG2-CB 4.21Å; I508-V530 HydrophobicContact CG2-CG2 4.46Å
509	S	97.7	Very high	94.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	148.4	177.1	-165.5	0	0	0	0	112.3	L386 D479 A480 T481 V482 V530 T531	L386-S509 WeakPolarHBondContact CD2-O 2.79Å; D479-S509 WeakPolarHBondContact O-CA 3.48Å; D479-S509 WeakPolarHBondContact O-CB 3.39Å; D479-S509 PolarHBondContact O-OG 2.65Å; A480-S509 PolarHBondContact O-OG 3.3Å; T481-S509 WeakPolarHBondContact CA-OG 3.47Å; T481-S509 PolarHBondContact N-OG 3.44Å; V482-S509 PolarHBondContact N-OG 3.39Å; S509-V530 PolarHBondContact N-O 3.28Å; S509-T531 WeakPolarHBondContact O-CA 3.43Å; S509-T531 WeakPolarHBondContact O-CB 3.46Å; S509-T531 PolarHBondContact O-OG1 3.24Å
510	L	96.3	Very high	94.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	-44.7	177.6	-67.9	169.1	0	0	0	111.1	L382 M383 L386 A480 T531 T532 A533 F551	L382-L510 HydrophobicContact CB-CD2 3.71Å; M383-L510 HydrophobicContact CE-CD1 4.16Å; M383-L510 HydrophobicContact CG-CD1 4Å; M383-L510 HydrophobicContact CG-CD2 4.01Å; M383-L510 HydrophobicContact CG-CG 4.37Å; L386-L510 HydrophobicContact CD2-CD2 3.96Å; L386-L510 HydrophobicContact CD2-CG 4.32Å; A480-L510 WeakPolarHBondContact O-CB 3.33Å; A480-L510 PolarHBondContact O-N 2.89Å; L510-T531 PolarHBondContact O-OG1 2.84Å; L510-T532 HydrophobicContact CD2-CG2 4.39Å; L510-T532 PolarHBondContact O-N 3.13Å; L510-T532 PolarHBondContact O-OG1 2.99Å; L510-A533 PolarHBondContact O-N 2.91Å; L510-A533 VanDerWaalsContact O-N 3.08Å; L510-F551 HydrophobicContact CD1-CD2 4.49Å; L510-F551 HydrophobicContact CD1-CE2 3.52Å; L510-F551 HydrophobicContact CD1-CZ 3.62Å
511	I	96.1	Very high	94.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	126.7	-177.4	-56.2	170	0	0	0	109.6	I365 A480 T481 V482 A533 D535 I544 V548	I365-I511 HydrophobicContact CD1-CD1 4.3Å; A480-I511 PolarHBondContact O-N 3.14Å; T481-I511 CarbonylContact C-O 3.55Å; T481-I511 VanDerWaalsContact CA-O 3.27Å; T481-I511 WeakPolarHBondContact CA-O 3.49Å; T481-I511 HydrophobicContact CG2-CB 4.47Å; V482-I511 PolarHBondContact N-O 2.98Å; I511-A533 WeakPolarHBondContact CA-O 3.34Å; I511-A533 HydrophobicContact CG1-CB 4.41Å; I511-D535 HydrophobicContact CG2-CB 4.35Å; I511-D535 WeakPolarHBondContact CG2-OD2 3.33Å; I511-I544 HydrophobicContact CG2-CD1 4.31Å; I511-I544 HydrophobicContact CG2-CG2 4.22Å; I511-V548 HydrophobicContact CD1-CB 4.38Å; I511-V548 HydrophobicContact CD1-CG1 3.3Å; I511-V548 HydrophobicContact CD1-CG2 4.17Å
512	M	96.4	Very high	94.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.6	174.2	-53.5	-175.7	70.4	0	0	110.6	V482 L507 V517 I529 T531 A533 V534 D535	V482-M512 HydrophobicContact CB-CB 4.45Å; V482-M512 HydrophobicContact CB-CE 3.75Å; V482-M512 HydrophobicContact CB-CG 4.05Å; V482-M512 HydrophobicContact CG1-CE 3.81Å; V482-M512 HydrophobicContact CG2-CE 4.15Å; V482-M512 WeakPolarHBondContact O-CA 3.42Å; L507-M512 HydrophobicContact CD2-CE 3.98Å; M512-V517 HydrophobicContact CB-CG2 3.51Å; M512-V517 HydrophobicContact CE-CG2 4.02Å; M512-V517 HydrophobicContact CG-CG2 4.34Å; M512-V517 HydrophobicContact SD-CG2 4Å; M512-I529 HydrophobicContact CE-CG2 3.74Å; M512-I529 HydrophobicContact SD-CG2 3.36Å; M512-I529 WeakPolarHBondContact SD-CG2 3.25Å; M512-T531 HydrophobicContact CG-CG2 4.23Å; M512-T531 HydrophobicContact SD-CG2 4.05Å; M512-A533 PolarHBondContact N-O 3.26Å; M512-A533 VanDerWaalsContact N-O 3.13Å; M512-V534 CarbonylContact O-C 3.57Å; M512-V534 VanDerWaalsContact O-CA 3.3Å; M512-V534 WeakPolarHBondContact O-CA 3.48Å; M512-D535 PolarHBondContact O-N 3.22Å
513	A	94.1	Very high	93.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	148.2	165.9	0	0	0	0	0	110.3	V482 Q515 G516 V517 L538 I544	V482-A513 PolarHBondContact O-N 3.46Å; A513-Q515 VanDerWaalsContact C-N 3.26Å; A513-Q515 PolarHBondContact O-N 3.15Å; A513-G516 WeakPolarHBondContact O-CA 3.39Å; A513-G516 PolarHBondContact O-N 3.3Å; A513-V517 PolarHBondContact O-N 3.32Å; A513-L538 HydrophobicContact CB-CD2 3.44Å; A513-L538 VanDerWaalsContact CB-CD2 3.44Å; A513-L538 HydrophobicContact CB-CG 4.02Å; A513-I544 HydrophobicContact CB-CG1 4.19Å; A513-I544 HydrophobicContact CB-CG2 4.18Å
514	S	91.3	Very high	93.8	Very high	12 Å²	12	15.6 Å²	15.6	8%	0.084	7%	0.071	C	C	.	.	H	α-helix	trans	-50.9	-42.7	178.5	-174.4	0	0	0	0	113.1	G516 V517 H518 D535	S514-G516 VanDerWaalsContact C-N 3.33Å; S514-G516 PolarHBondContact O-N 3.39Å; S514-V517 PolarHBondContact O-N 3.01Å; S514-H518 PolarHBondContact O-N 3.42Å; S514-H518 PolarHBondContact O-ND1 3Å; S514-H518 PolarHBondContact OG-CE1 2.82Å; S514-H518 PolarHBondContact OG-ND1 3.27Å; S514-D535 PolarHBondContact N-O 2.84Å
515	Q	88.5	Confident	93.6	Very high	28 Å²	28	17.5 Å²	17.5	13%	0.131	9%	0.088	C	C	.	.	H	α-helix	trans	-60	-40.6	176.8	-63.4	77.8	1.3	0	0	112	F290 A513 S519 L538	F290-Q515 HydrophobicContact CE2-CG 4.09Å; A513-Q515 VanDerWaalsContact C-N 3.26Å; A513-Q515 PolarHBondContact O-N 3.15Å; Q515-S519 VanDerWaalsContact O-CB 3.23Å; Q515-S519 WeakPolarHBondContact O-CB 3.26Å; Q515-S519 PolarHBondContact O-N 2.98Å; Q515-S519 PolarHBondContact O-OG 2.92Å; Q515-L538 HydrophobicContact CB-CD1 4.33Å
516	G	91.4	Very high	93.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-69.5	-41.9	178.1	0	0	0	0	0	112.8	A483 A513 S514 S519 V520	A483-G516 WeakPolarHBondContact O-CA 3.16Å; A483-G516 PolarHBondContact O-N 3.35Å; A513-G516 WeakPolarHBondContact O-CA 3.39Å; A513-G516 PolarHBondContact O-N 3.3Å; S514-G516 VanDerWaalsContact C-N 3.33Å; S514-G516 PolarHBondContact O-N 3.39Å; G516-S519 PolarHBondContact O-N 2.62Å; G516-V520 WeakPolarHBondContact O-CB 3.31Å; G516-V520 VanDerWaalsContact O-CG2 3.27Å; G516-V520 WeakPolarHBondContact O-CG2 3.48Å; G516-V520 PolarHBondContact O-N 2.89Å
517	V	92.8	Very high	93.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-57.8	-51.6	174.3	177.3	0	0	0	0	110.5	L345 V349 M512 A513 S514 A521 V534	L345-V517 HydrophobicContact CD2-CG1 4.22Å; V349-V517 HydrophobicContact CB-CG1 4.45Å; V349-V517 HydrophobicContact CG1-CG1 3.85Å; V349-V517 HydrophobicContact CG2-CG1 3.78Å; M512-V517 HydrophobicContact CB-CG2 3.51Å; M512-V517 HydrophobicContact CE-CG2 4.02Å; M512-V517 HydrophobicContact CG-CG2 4.34Å; M512-V517 HydrophobicContact SD-CG2 4Å; A513-V517 PolarHBondContact O-N 3.32Å; S514-V517 PolarHBondContact O-N 3.01Å; V517-A521 WeakPolarHBondContact O-CB 3.26Å; V517-A521 PolarHBondContact O-N 2.92Å; V517-V534 HydrophobicContact CG2-CG1 4.11Å; V517-V534 HydrophobicContact CG2-CG2 4.14Å
518	H	90.3	Very high	93.3	Very high	41 Å²	41	24.4 Å²	24.4	19%	0.19	12%	0.119	C	C	.	.	H	α-helix	trans	-66.9	-42.6	-179.1	-68.7	92.3	0	0	0	112.2	S514 V520 A521 Y522	S514-H518 PolarHBondContact O-N 3.42Å; S514-H518 PolarHBondContact O-ND1 3Å; S514-H518 PolarHBondContact OG-CE1 2.82Å; S514-H518 PolarHBondContact OG-ND1 3.27Å; H518-V520 PolarHBondContact O-N 3.43Å; H518-A521 PolarHBondContact O-N 3.32Å; H518-Y522 WeakPolarHBondContact O-CB 3.35Å; H518-Y522 PolarHBondContact O-N 2.83Å
519	S	89	Confident	93.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.3	-45.7	178.7	-63.9	0	0	0	0	112.3	F285 Q515 G516 T523	F285-S519 PolarHBondContact O-OG 2.84Å; Q515-S519 VanDerWaalsContact O-CB 3.23Å; Q515-S519 WeakPolarHBondContact O-CB 3.26Å; Q515-S519 PolarHBondContact O-N 2.98Å; Q515-S519 PolarHBondContact O-OG 2.92Å; G516-S519 PolarHBondContact O-N 2.62Å; S519-T523 WeakPolarHBondContact O-CB 3.41Å; S519-T523 PolarHBondContact O-N 3.41Å; S519-T523 PolarHBondContact O-OG1 3.01Å
520	V	92.9	Very high	93.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-67.5	-47.9	178	177.9	0	0	0	0	110.7	A488 I489 M492 L507 G516 H518 Y522 T523 Y524 I529	A488-V520 HydrophobicContact CB-CG2 4.03Å; I489-V520 HydrophobicContact CG1-CG2 4.02Å; M492-V520 HydrophobicContact CE-CG1 4.16Å; M492-V520 HydrophobicContact SD-CG1 3.56Å; M492-V520 VanDerWaalsContact SD-CG1 3.56Å; L507-V520 HydrophobicContact CD2-CG1 3.93Å; L507-V520 HydrophobicContact CD2-CG2 4.36Å; G516-V520 WeakPolarHBondContact O-CB 3.31Å; G516-V520 VanDerWaalsContact O-CG2 3.27Å; G516-V520 WeakPolarHBondContact O-CG2 3.48Å; G516-V520 PolarHBondContact O-N 2.89Å; H518-V520 PolarHBondContact O-N 3.43Å; V520-Y522 VanDerWaalsContact C-N 3.35Å; V520-Y522 PolarHBondContact O-N 3.11Å; V520-T523 PolarHBondContact O-N 2.84Å; V520-Y524 PolarHBondContact O-N 3.44Å; V520-I529 HydrophobicContact CB-CD1 3.87Å; V520-I529 HydrophobicContact CG1-CD1 3.67Å; V520-I529 HydrophobicContact CG1-CG1 4.32Å
521	A	92.6	Very high	93.3	Very high	12 Å²	12	24.6 Å²	24.6	10%	0.099	12%	0.12	C	C	.	.	H	α-helix	trans	-68.9	-29.1	-176.6	0	0	0	0	0	113.7	P346 V349 V517 H518 P525 I529	P346-A521 HydrophobicContact CB-CB 3.8Å; P346-A521 HydrophobicContact CG-CB 3.76Å; V349-A521 HydrophobicContact CG2-CB 4.3Å; V517-A521 WeakPolarHBondContact O-CB 3.26Å; V517-A521 PolarHBondContact O-N 2.92Å; H518-A521 PolarHBondContact O-N 3.32Å; A521-P525 VanDerWaalsContact O-CA 3.24Å; A521-P525 WeakPolarHBondContact O-CA 3.48Å; A521-I529 HydrophobicContact CB-CD1 3.98Å
522	Y	89.1	Confident	93.4	Very high	153 Å²	153	24.9 Å²	24.9	60%	0.6	12%	0.122	S	C	*	.	H	α-helix	trans	-72.9	-37.7	171.8	-175.6	-95.4	0	0	0	111.7	F288 H518 V520	F288-Y522 HydrophobicContact CE2-CD1 4.02Å; F288-Y522 HydrophobicContact CE2-CG 4.29Å; F288-Y522 AromaticContact CZ-CD1 3.98Å; F288-Y522 HydrophobicContact CZ-CD1 3.98Å; F288-Y522 HydrophobicContact CZ-CD2 4.23Å; F288-Y522 HydrophobicContact CZ-CE1 4.47Å; F288-Y522 AromaticContact CZ-CG 3.85Å; F288-Y522 HydrophobicContact CZ-CG 3.85Å; H518-Y522 WeakPolarHBondContact O-CB 3.35Å; H518-Y522 PolarHBondContact O-N 2.83Å; V520-Y522 VanDerWaalsContact C-N 3.35Å; V520-Y522 PolarHBondContact O-N 3.11Å
523	T	88.7	Confident	93.3	Very high	20 Å²	20	25.6 Å²	25.6	12%	0.123	13%	0.128	C	C	.	.	H	α-helix	trans	-73.9	-36.5	-179.7	-54.5	0	0	0	0	112.7	I489 S519 V520	I489-T523 HydrophobicContact CG2-CG2 4.06Å; S519-T523 WeakPolarHBondContact O-CB 3.41Å; S519-T523 PolarHBondContact O-N 3.41Å; S519-T523 PolarHBondContact O-OG1 3.01Å; V520-T523 PolarHBondContact O-N 2.84Å
524	Y	92.6	Very high	93.4	Very high	16 Å²	16	27.9 Å²	27.9	6%	0.063	14%	0.141	C	C	.	.			trans	-129.8	69.6	-179	-62	-67.4	0	0	0	111.3	I489 M492 R493 V496 E502 V520 K526 A527	I489-Y524 HydrophobicContact CB-CE2 4.49Å; I489-Y524 HydrophobicContact CG2-CE2 4.14Å; I489-Y524 PolarHBondContact O-OH 3.41Å; M492-Y524 HydrophobicContact CB-CD2 3.74Å; M492-Y524 HydrophobicContact CB-CE2 3.43Å; M492-Y524 VanDerWaalsContact CB-CE2 3.43Å; M492-Y524 HydrophobicContact CB-CG 4.44Å; M492-Y524 HydrophobicContact CE-CD2 3.55Å; M492-Y524 HydrophobicContact CE-CE2 4.46Å; M492-Y524 HydrophobicContact CE-CG 3.67Å; M492-Y524 HydrophobicContact CG-CD2 4.36Å; M492-Y524 HydrophobicContact CG-CE2 4.43Å; M492-Y524 HydrophobicContact SD-CD2 3.77Å; M492-Y524 HydrophobicContact SD-CE2 4.32Å; M492-Y524 HydrophobicContact SD-CG 4.49Å; R493-Y524 WeakPolarHBondContact CA-OH 3.28Å; R493-Y524 WeakPolarHBondContact CB-OH 3.36Å; R493-Y524 PolarHBondContact N-OH 3.47Å; V496-Y524 HydrophobicContact CG2-CE1 4.27Å; E502-Y524 HydrophobicContact CG-CD1 4.08Å; E502-Y524 VanDerWaalsContact OE1-CA 3.28Å; E502-Y524 WeakPolarHBondContact OE1-CA 3.48Å; V520-Y524 PolarHBondContact O-N 3.44Å; Y524-K526 PolarHBondContact O-N 3.37Å; Y524-K526 VanDerWaalsContact O-N 3.12Å; Y524-A527 WeakPolarHBondContact O-CB 3.49Å; Y524-A527 PolarHBondContact O-N 2.96Å
525	P	92.6	Very high	93.5	Very high	84 Å²	84	28 Å²	28	55%	0.545	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-10.5	-173.1	28.7	-37.3	0	0	0	115.1	R348 E502 A521	R348-P525 WeakPolarHBondContact CD-O 3.5Å; E502-P525 VanDerWaalsContact OE1-CD 3.26Å; E502-P525 WeakPolarHBondContact OE1-CD 3.43Å; E502-P525 VanDerWaalsContact OE1-N 3.1Å; A521-P525 VanDerWaalsContact O-CA 3.24Å; A521-P525 WeakPolarHBondContact O-CA 3.48Å
526	K	94.6	Very high	93.4	Very high	108 Å²	108	30.3 Å²	30.3	47%	0.47	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-20.7	170.9	-46.3	-170.7	-160.4	92.1	0	113.3	R348 E502 D503 Y524	R348-K526 WeakPolarHBondContact CD-O 3.27Å; R348-K526 PolarHBondContact NE-O 3.26Å; R348-K526 PolarHBondContact NH1-O 2.86Å; E502-K526 HydrophobicContact CB-CB 4.26Å; E502-K526 HydrophobicContact CG-CB 3.94Å; E502-K526 HydrophobicContact CG-CG 4.5Å; E502-K526 WeakPolarHBondContact OE1-CB 3.18Å; E502-K526 WeakPolarHBondContact OE1-CG 3.29Å; E502-K526 PolarHBondContact OE1-N 2.93Å; E502-K526 IonicContact OE2-NZ 3.39Å; E502-K526 PolarHBondContact OE2-NZ 3.02Å; D503-K526 HydrophobicContact CB-CB 4.08Å; Y524-K526 PolarHBondContact O-N 3.37Å; Y524-K526 VanDerWaalsContact O-N 3.12Å
527	A	96.5	Very high	93.2	Very high	4 Å²	4	30.9 Å²	30.9	3%	0.033	17%	0.167	C	C	.	.	S	Bend	trans	-65.8	155.6	175.8	0	0	0	0	0	110.8	R348 M492 E502 I505 Y524	R348-A527 VanDerWaalsContact CB-O 3.27Å; R348-A527 WeakPolarHBondContact CB-O 3.42Å; R348-A527 WeakPolarHBondContact CD-O 3.13Å; M492-A527 HydrophobicContact CE-CB 3.27Å; E502-A527 WeakPolarHBondContact O-CA 3.33Å; I505-A527 HydrophobicContact CB-CB 4.29Å; Y524-A527 WeakPolarHBondContact O-CB 3.49Å; Y524-A527 PolarHBondContact O-N 2.96Å
528	H	97.6	Very high	93	Very high	35 Å²	35	32.6 Å²	32.6	16%	0.162	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	143.8	170.9	-74.2	-64.8	0	0	0	110.9	R348 H350 L393 I505 I506 L507	R348-H528 PolarHBondContact NH1-NE2 2.95Å; H350-H528 AromaticContact CD2-ND1 3.86Å; H350-H528 AromaticContact NE2-CE1 3.85Å; H350-H528 AromaticContact NE2-ND1 3.25Å; H350-H528 PolarHBondContact NE2-ND1 2.88Å; L393-H528 HydrophobicContact CD1-CB 3.77Å; I505-H528 PolarHBondContact O-N 3.39Å; I506-H528 CarbonylContact C-O 3.54Å; I506-H528 WeakPolarHBondContact CA-O 3.32Å; I506-H528 HydrophobicContact CG1-CB 4.28Å; I506-H528 HydrophobicContact CG2-CB 4.26Å; L507-H528 PolarHBondContact N-O 2.91Å
529	I	97.8	Very high	92.8	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.6	172.8	-56.8	-176.9	0	0	0	107.2	R348 V349 H350 L507 M512 V520 A521	R348-I529 PolarHBondContact O-N 2.97Å; V349-I529 HydrophobicContact CG1-CG2 4.47Å; V349-I529 HydrophobicContact CG2-CB 4.24Å; V349-I529 HydrophobicContact CG2-CD1 4.26Å; H350-I529 PolarHBondContact N-O 2.96Å; L507-I529 HydrophobicContact CD2-CG1 4.49Å; L507-I529 CarbonylContact O-C 3.57Å; L507-I529 WeakPolarHBondContact O-CA 3.35Å; M512-I529 HydrophobicContact CE-CG2 3.74Å; M512-I529 HydrophobicContact SD-CG2 3.36Å; M512-I529 WeakPolarHBondContact SD-CG2 3.25Å; V520-I529 HydrophobicContact CB-CD1 3.87Å; V520-I529 HydrophobicContact CG1-CD1 3.67Å; V520-I529 HydrophobicContact CG1-CG1 4.32Å; A521-I529 HydrophobicContact CB-CD1 3.98Å
530	V	97.6	Very high	92.6	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	129.5	178.6	-165.8	0	0	0	0	108.9	H350 L352 L386 A389 A390 L393 I506 L507 I508 S509	H350-V530 HydrophobicContact CB-CG1 4.32Å; H350-V530 HydrophobicContact CB-CG2 4.34Å; H350-V530 WeakPolarHBondContact O-CA 3.49Å; L352-V530 HydrophobicContact CD1-CG1 3.65Å; L386-V530 HydrophobicContact CD1-CB 4.18Å; L386-V530 HydrophobicContact CD1-CG1 3.8Å; A389-V530 HydrophobicContact CB-CG1 4.04Å; A390-V530 HydrophobicContact CB-CG2 4.39Å; L393-V530 HydrophobicContact CD1-CG2 3.56Å; I506-V530 HydrophobicContact CG2-CG2 3.77Å; L507-V530 PolarHBondContact O-N 2.58Å; I508-V530 WeakPolarHBondContact CA-O 3.27Å; I508-V530 HydrophobicContact CG2-CB 4.21Å; I508-V530 HydrophobicContact CG2-CG2 4.46Å; S509-V530 PolarHBondContact N-O 3.28Å
531	T	97.6	Very high	92	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	155.8	-179.7	-170.5	0	0	0	0	114.5	H350 V351 L352 S509 L510 M512 A533 V534	H350-T531 PolarHBondContact O-N 3.31Å; H350-T531 VanDerWaalsContact O-N 3.11Å; V351-T531 CarbonylContact C-O 3.57Å; V351-T531 VanDerWaalsContact CA-O 3.29Å; V351-T531 WeakPolarHBondContact CA-O 3.31Å; V351-T531 HydrophobicContact CB-CG2 4.49Å; V351-T531 HydrophobicContact CG1-CG2 4.43Å; V351-T531 HydrophobicContact CG2-CG2 3.91Å; L352-T531 WeakPolarHBondContact CD1-O 3.44Å; L352-T531 PolarHBondContact N-O 3.42Å; S509-T531 WeakPolarHBondContact O-CA 3.43Å; S509-T531 WeakPolarHBondContact O-CB 3.46Å; S509-T531 PolarHBondContact O-OG1 3.24Å; L510-T531 PolarHBondContact O-OG1 2.84Å; M512-T531 HydrophobicContact CG-CG2 4.23Å; M512-T531 HydrophobicContact SD-CG2 4.05Å; T531-A533 PolarHBondContact OG1-O 3.19Å; T531-V534 HydrophobicContact CG2-CG2 3.77Å
532	T	96.7	Very high	91.5	Very high	6 Å²	6	47.1 Å²	47.1	4%	0.037	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-21.7	-179.7	68.9	0	0	0	0	113.4	L352 H362 L386 L510	L352-T532 HydrophobicContact CD1-CG2 4.29Å; L352-T532 HydrophobicContact CD2-CG2 4.23Å; H362-T532 PolarHBondContact CE1-OG1 3.23Å; H362-T532 WeakPolarHBondContact NE2-CB 3.26Å; H362-T532 PolarHBondContact NE2-OG1 2.94Å; L386-T532 HydrophobicContact CB-CG2 3.93Å; L386-T532 HydrophobicContact CD1-CG2 4.19Å; L386-T532 HydrophobicContact CG-CG2 4.44Å; L510-T532 HydrophobicContact CD2-CG2 4.39Å; L510-T532 PolarHBondContact O-N 3.13Å; L510-T532 PolarHBondContact O-OG1 2.99Å
533	A	95.4	Very high	91.4	Very high	16 Å²	16	44.7 Å²	44.7	13%	0.132	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	149.9	170.2	0	0	0	0	0	112.9	L510 I511 M512 T531	L510-A533 PolarHBondContact O-N 2.91Å; L510-A533 VanDerWaalsContact O-N 3.08Å; I511-A533 WeakPolarHBondContact CA-O 3.34Å; I511-A533 HydrophobicContact CG1-CB 4.41Å; M512-A533 PolarHBondContact N-O 3.26Å; M512-A533 VanDerWaalsContact N-O 3.13Å; T531-A533 PolarHBondContact OG1-O 3.19Å
534	V	95.2	Very high	91.5	Very high	47 Å²	47	44.7 Å²	44.7	29%	0.285	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.1	168.4	-179	0	0	0	0	108.8	V351 M512 V517 T531	V351-V534 HydrophobicContact CG2-CG2 3.64Å; M512-V534 CarbonylContact O-C 3.57Å; M512-V534 VanDerWaalsContact O-CA 3.3Å; M512-V534 WeakPolarHBondContact O-CA 3.48Å; V517-V534 HydrophobicContact CG2-CG1 4.11Å; V517-V534 HydrophobicContact CG2-CG2 4.14Å; T531-V534 HydrophobicContact CG2-CG2 3.77Å
535	D	93.8	Very high	91.4	Very high	15 Å²	15	47 Å²	47	8%	0.08	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	155.2	-178.9	-83.7	0.8	0	0	0	111.6	R366 I511 M512 S514 G537 I544 G547	R366-D535 IonicContact CZ-OD1 2.69Å; R366-D535 IonicContact CZ-OD2 3.69Å; R366-D535 IonicContact NH1-OD1 3.23Å; R366-D535 PolarHBondContact NH1-OD1 3.39Å; R366-D535 IonicContact NH1-OD2 3.83Å; R366-D535 PolarHBondContact NH1-OD2 2.92Å; R366-D535 VanDerWaalsContact NH2-CG 3.28Å; R366-D535 IonicContact NH2-OD1 3.16Å; R366-D535 PolarHBondContact NH2-OD1 3.21Å; R366-D535 IonicContact NH2-OD2 2.69Å; R366-D535 PolarHBondContact NH2-OD2 3.36Å; I511-D535 HydrophobicContact CG2-CB 4.35Å; I511-D535 WeakPolarHBondContact CG2-OD2 3.33Å; M512-D535 PolarHBondContact O-N 3.22Å; S514-D535 PolarHBondContact N-O 2.84Å; D535-G537 PolarHBondContact O-N 2.96Å; D535-I544 HydrophobicContact CB-CG2 3.43Å; D535-I544 VanDerWaalsContact CB-CG2 3.43Å; D535-I544 VanDerWaalsContact OD2-CG2 3.31Å; D535-I544 WeakPolarHBondContact OD2-CG2 3.45Å; D535-G547 WeakPolarHBondContact OD2-CA 3.3Å; D535-G547 PolarHBondContact OD2-N 3.21Å
536	S	87.8	Confident	91.5	Very high	77 Å²	77	47.5 Å²	47.5	54%	0.538	27%	0.268	S	S	.	.	S	Bend	trans	-66.3	-35.8	-167.9	52.8	0	0	0	0	113.8	V545	S536-V545 PolarHBondContact OG-O 3.01Å
537	G	86.6	Confident	91.3	Very high	12 Å²	12	42.6 Å²	42.6	12%	0.124	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165	-167.9	-172.9	0	0	0	0	0	116.8	D535 V545	D535-G537 PolarHBondContact O-N 2.96Å; G537-V545 PolarHBondContact O-N 3.1Å
538	L	88.4	Confident	91.1	Very high	35 Å²	35	42.8 Å²	42.8	18%	0.183	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	150.3	173.4	-58.9	177.9	0	0	0	109.5	A483 T484 A513 Q515 H543 I544	A483-L538 HydrophobicContact CB-CD2 3.79Å; T484-L538 HydrophobicContact CG2-CD1 3.54Å; A513-L538 HydrophobicContact CB-CD2 3.44Å; A513-L538 VanDerWaalsContact CB-CD2 3.44Å; A513-L538 HydrophobicContact CB-CG 4.02Å; Q515-L538 HydrophobicContact CB-CD1 4.33Å; L538-H543 CarbonylContact C-O 3.46Å; L538-H543 WeakPolarHBondContact CA-O 3.3Å; L538-I544 HydrophobicContact CD2-CG1 4.17Å
539	N	86.8	Confident	90.8	Very high	69 Å²	69	43.9 Å²	43.9	37%	0.369	27%	0.269	S	S	.	.			trans	-84.3	174.2	163.5	67.7	16.8	0	0	0	111.8	S541 Y542 H543 V545	N539-S541 PolarHBondContact O-N 2.96Å; N539-S541 VanDerWaalsContact O-N 3.16Å; N539-S541 WeakPolarHBondContact OD1-CA 3.46Å; N539-S541 PolarHBondContact OD1-N 3.06Å; N539-Y542 WeakPolarHBondContact O-CA 3.39Å; N539-Y542 PolarHBondContact O-N 2.94Å; N539-Y542 PolarHBondContact OD1-N 3.32Å; N539-H543 PolarHBondContact N-O 3.44Å; N539-H543 PolarHBondContact OD1-N 3.21Å; N539-V545 HydrophobicContact CB-CG2 3.94Å
540	D	83	Confident	90.4	Very high	159 Å²	159	47.5 Å²	47.5	85%	0.85	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-28.8	-179.6	-59.1	-63.2	0	0	0	113.6	Y542	D540-Y542 PolarHBondContact O-N 3.5Å
541	S	80.8	Confident	90.2	Very high	82 Å²	82	47.4 Å²	47.4	57%	0.573	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	11.1	173.8	-58.1	0	0	0	0	113.3	N539 H543	N539-S541 PolarHBondContact O-N 2.96Å; N539-S541 VanDerWaalsContact O-N 3.16Å; N539-S541 WeakPolarHBondContact OD1-CA 3.46Å; N539-S541 PolarHBondContact OD1-N 3.06Å; S541-H543 VanDerWaalsContact C-N 3.28Å; S541-H543 WeakPolarHBondContact CB-ND1 3.22Å; S541-H543 PolarHBondContact O-CE1 3.38Å; S541-H543 PolarHBondContact O-N 3.48Å; S541-H543 PolarHBondContact O-ND1 3.33Å
542	Y	81.9	Confident	89.8	Confident	48 Å²	48	47.5 Å²	47.5	19%	0.188	29%	0.289	C	S	.	.			trans	59.9	23.6	-179.1	-48	-67.8	0	0	0	115.9	H283 A286 A483 T484 N539 D540	H283-Y542 AromaticContact CE1-CZ 3.53Å; H283-Y542 PolarHBondContact CE1-OH 3.18Å; H283-Y542 PolarHBondContact ND1-OH 3.01Å; A286-Y542 HydrophobicContact CB-CD1 3.57Å; A286-Y542 HydrophobicContact CB-CE1 3.34Å; A483-Y542 WeakPolarHBondContact CB-O 3.42Å; T484-Y542 HydrophobicContact CG2-CD1 3.93Å; T484-Y542 HydrophobicContact CG2-CG 4.19Å; N539-Y542 WeakPolarHBondContact O-CA 3.39Å; N539-Y542 PolarHBondContact O-N 2.94Å; N539-Y542 PolarHBondContact OD1-N 3.32Å; D540-Y542 PolarHBondContact O-N 3.5Å
543	H	86.6	Confident	89.5	Confident	102 Å²	102	48.9 Å²	48.9	47%	0.472	30%	0.296	S	S	.	.			trans	-87.9	146.4	172.5	-60.5	78.7	0	0	0	110.6	L538 N539 S541	L538-H543 CarbonylContact C-O 3.46Å; L538-H543 WeakPolarHBondContact CA-O 3.3Å; N539-H543 PolarHBondContact N-O 3.44Å; N539-H543 PolarHBondContact OD1-N 3.21Å; S541-H543 VanDerWaalsContact C-N 3.28Å; S541-H543 WeakPolarHBondContact CB-ND1 3.22Å; S541-H543 PolarHBondContact O-CE1 3.38Å; S541-H543 PolarHBondContact O-N 3.48Å; S541-H543 PolarHBondContact O-ND1 3.33Å
544	I	91.8	Very high	89.3	Confident	21 Å²	21	50.1 Å²	50.1	11%	0.108	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	137.4	176.9	-51.4	-176.1	0	0	0	110.1	A483 I511 A513 D535 L538 P546 G547	A483-I544 HydrophobicContact CB-CD1 4.4Å; A483-I544 HydrophobicContact CB-CG1 3.85Å; I511-I544 HydrophobicContact CG2-CD1 4.31Å; I511-I544 HydrophobicContact CG2-CG2 4.22Å; A513-I544 HydrophobicContact CB-CG1 4.19Å; A513-I544 HydrophobicContact CB-CG2 4.18Å; D535-I544 HydrophobicContact CB-CG2 3.43Å; D535-I544 VanDerWaalsContact CB-CG2 3.43Å; D535-I544 VanDerWaalsContact OD2-CG2 3.31Å; D535-I544 WeakPolarHBondContact OD2-CG2 3.45Å; L538-I544 HydrophobicContact CD2-CG1 4.17Å; I544-P546 CarbonylContact O-C 3.57Å; I544-G547 VanDerWaalsContact O-CA 3.3Å; I544-G547 WeakPolarHBondContact O-CA 3.35Å; I544-G547 PolarHBondContact O-N 2.81Å
545	V	91.3	Very high	89.2	Confident	63 Å²	63	49 Å²	49	38%	0.382	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.4	175.4	-177.7	0	0	0	0	109.2	S536 G537 N539	S536-V545 PolarHBondContact OG-O 3.01Å; G537-V545 PolarHBondContact O-N 3.1Å; N539-V545 HydrophobicContact CB-CG2 3.94Å
546	P	93.3	Very high	89.1	Confident	95 Å²	95	52.1 Å²	52.1	62%	0.617	30%	0.301	S	S	*	.	S	Bend	cis	-69.6	-22.1	1.3	26.6	-34.3	0	0	0	115	I544	I544-P546 CarbonylContact O-C 3.57Å
547	G	91.3	Very high	89.2	Confident	5 Å²	5	50.3 Å²	50.3	5%	0.052	30%	0.295	C	S	.	.			trans	61.7	-159.5	173.8	0	0	0	0	0	115.1	R366 D535 I544	R366-G547 WeakPolarHBondContact CG-O 3.42Å; R366-G547 PolarHBondContact NH1-O 3.15Å; D535-G547 WeakPolarHBondContact OD2-CA 3.3Å; D535-G547 PolarHBondContact OD2-N 3.21Å; I544-G547 VanDerWaalsContact O-CA 3.3Å; I544-G547 WeakPolarHBondContact O-CA 3.35Å; I544-G547 PolarHBondContact O-N 2.81Å
548	V	92.8	Very high	89.2	Confident	8 Å²	8	52.8 Å²	52.8	5%	0.048	31%	0.308	C	S	.	.			trans	-141.5	8.3	-176	-75.9	0	0	0	0	113.1	I365 R366 T481 I511 F551 R554	I365-V548 HydrophobicContact CD1-CG1 4.27Å; I365-V548 HydrophobicContact CG1-CG1 4.32Å; I365-V548 WeakPolarHBondContact O-CG1 3.5Å; R366-V548 HydrophobicContact CB-CG1 4.44Å; R366-V548 HydrophobicContact CG-CG1 3.68Å; T481-V548 HydrophobicContact CG2-CG2 3.86Å; I511-V548 HydrophobicContact CD1-CB 4.38Å; I511-V548 HydrophobicContact CD1-CG1 3.3Å; I511-V548 HydrophobicContact CD1-CG2 4.17Å; V548-F551 HydrophobicContact CG2-CB 4.38Å; V548-F551 HydrophobicContact CG2-CD2 4.22Å; V548-R554 WeakPolarHBondContact O-CD 3.41Å; V548-R554 PolarHBondContact O-NH1 3.43Å
549	G	90.1	Very high	88.5	Confident	58 Å²	58	54.9 Å²	54.9	60%	0.598	32%	0.322	S	S	*	.	S	Bend	trans	74.1	-157.2	-162	0	0	0	0	0	112.1	F551	G549-F551 PolarHBondContact O-N 3.44Å
550	N	90	Very high	87.1	Confident	78 Å²	78	57.1 Å²	57.1	42%	0.417	33%	0.333	S	S	.	.			trans	-78.1	104.9	170.3	-175.1	-6.5	0	0	0	109.9	G552 D553 R554	N550-G552 VanDerWaalsContact C-N 3.28Å; N550-G552 PolarHBondContact O-N 3.47Å; N550-G552 PolarHBondContact OD1-N 2.95Å; N550-G552 VanDerWaalsContact OD1-N 3.08Å; N550-D553 HydrophobicContact CB-CB 4.2Å; N550-D553 PolarHBondContact ND2-OD2 3.1Å; N550-D553 PolarHBondContact O-N 2.74Å; N550-R554 PolarHBondContact O-N 3.19Å; N550-R554 VanDerWaalsContact O-N 3.14Å
551	F	92.7	Very high	85.3	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-54.7	-42.8	179.8	-169.7	-75	0	0	0	112.5	F375 A379 M383 V431 A480 T481 L510 V548 G549 R554 Y555	F375-F551 HydrophobicContact CE1-CD2 4.46Å; F375-F551 HydrophobicContact CE1-CE1 4.32Å; F375-F551 HydrophobicContact CE1-CE2 4.19Å; F375-F551 HydrophobicContact CE1-CZ 4.11Å; F375-F551 AromaticContact CZ-CD2 3.78Å; F375-F551 HydrophobicContact CZ-CD2 3.78Å; F375-F551 AromaticContact CZ-CE2 3.75Å; F375-F551 HydrophobicContact CZ-CE2 3.75Å; F375-F551 HydrophobicContact CZ-CG 4.22Å; F375-F551 HydrophobicContact CZ-CZ 4.14Å; A379-F551 HydrophobicContact CB-CE2 4.32Å; A379-F551 HydrophobicContact CB-CZ 3.87Å; M383-F551 HydrophobicContact CE-CE1 4.2Å; M383-F551 HydrophobicContact CE-CZ 3.82Å; V431-F551 HydrophobicContact CB-CE1 4.3Å; V431-F551 HydrophobicContact CG1-CE1 4.15Å; V431-F551 HydrophobicContact CG2-CD1 4.46Å; V431-F551 HydrophobicContact CG2-CE1 3.75Å; V431-F551 HydrophobicContact CG2-CZ 4.46Å; A480-F551 HydrophobicContact CB-CB 4.33Å; A480-F551 HydrophobicContact CB-CD1 3.45Å; A480-F551 VanDerWaalsContact CB-CD1 3.45Å; A480-F551 HydrophobicContact CB-CD2 4.2Å; A480-F551 HydrophobicContact CB-CE1 3.79Å; A480-F551 HydrophobicContact CB-CE2 4.46Å; A480-F551 HydrophobicContact CB-CG 3.71Å; A480-F551 HydrophobicContact CB-CZ 4.27Å; T481-F551 HydrophobicContact CG2-CB 3.89Å; T481-F551 HydrophobicContact CG2-CD2 4.2Å; T481-F551 HydrophobicContact CG2-CG 4.32Å; L510-F551 HydrophobicContact CD1-CD2 4.49Å; L510-F551 HydrophobicContact CD1-CE2 3.52Å; L510-F551 HydrophobicContact CD1-CZ 3.62Å; V548-F551 HydrophobicContact CG2-CB 4.38Å; V548-F551 HydrophobicContact CG2-CD2 4.22Å; G549-F551 PolarHBondContact O-N 3.44Å; F551-R554 PolarHBondContact O-N 3.41Å; F551-Y555 AromaticContact CE1-CD2 3.68Å; F551-Y555 HydrophobicContact CE1-CD2 3.68Å; F551-Y555 HydrophobicContact CE1-CE2 4.49Å; F551-Y555 HydrophobicContact CE1-CG 4.11Å; F551-Y555 HydrophobicContact CZ-CD2 4.04Å; F551-Y555 WeakPolarHBondContact O-CB 3.17Å; F551-Y555 PolarHBondContact O-N 3Å
552	G	89.2	Confident	83.5	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.01	33%	0.334	C	S	.	.	H	α-helix	trans	-65.7	-42.1	-176.7	0	0	0	0	0	112.7	N550 Y555 F556	N550-G552 VanDerWaalsContact C-N 3.28Å; N550-G552 PolarHBondContact O-N 3.47Å; N550-G552 PolarHBondContact OD1-N 2.95Å; N550-G552 VanDerWaalsContact OD1-N 3.08Å; G552-Y555 PolarHBondContact O-N 2.83Å; G552-F556 WeakPolarHBondContact O-CB 3.42Å; G552-F556 WeakPolarHBondContact O-CD2 3.48Å; G552-F556 PolarHBondContact O-N 3.4Å
553	D	90.1	Very high	81.3	Confident	36 Å²	36	65.6 Å²	65.6	19%	0.193	37%	0.368	C	S	.	.	H	α-helix	trans	-70.2	-37.6	179.5	-70.7	-22.8	0	0	0	111.8	R427 N550 G557 T558 T559	R427-D553 IonicContact CZ-OD1 2.78Å; R427-D553 IonicContact NH1-OD1 2.75Å; R427-D553 IonicContact NH2-OD1 3.21Å; R427-D553 PolarHBondContact NH2-OD1 3.19Å; N550-D553 HydrophobicContact CB-CB 4.2Å; N550-D553 PolarHBondContact ND2-OD2 3.1Å; N550-D553 PolarHBondContact O-N 2.74Å; D553-G557 CarbonylContact O-C 3.56Å; D553-G557 WeakPolarHBondContact O-CA 3.37Å; D553-G557 PolarHBondContact O-N 3.48Å; D553-T558 PolarHBondContact O-N 2.93Å; D553-T558 PolarHBondContact OD1-OG1 3.29Å; D553-T559 PolarHBondContact O-OG1 3.09Å
554	R	92.4	Very high	78.9	Confident	42 Å²	42	66 Å²	66	16%	0.158	38%	0.378	C	S	.	.	H	α-helix	trans	-67	-37.1	173	-69	-169.6	71.2	178.6	3.7	113.6	I365 D367 T370 F375 V548 N550 F551	I365-R554 PolarHBondContact O-NH1 3.04Å; I365-R554 VanDerWaalsContact O-NH1 3.1Å; D367-R554 PolarHBondContact O-NH1 3.4Å; D367-R554 PolarHBondContact O-NH2 3.03Å; T370-R554 PolarHBondContact O-NH2 2.72Å; F375-R554 HydrophobicContact CD1-CB 4.01Å; F375-R554 HydrophobicContact CD2-CB 4.41Å; F375-R554 HydrophobicContact CE1-CB 3.67Å; F375-R554 HydrophobicContact CE2-CB 4.09Å; F375-R554 HydrophobicContact CG-CB 4.38Å; F375-R554 HydrophobicContact CZ-CB 3.71Å; V548-R554 WeakPolarHBondContact O-CD 3.41Å; V548-R554 PolarHBondContact O-NH1 3.43Å; N550-R554 PolarHBondContact O-N 3.19Å; N550-R554 VanDerWaalsContact O-N 3.14Å; F551-R554 PolarHBondContact O-N 3.41Å
555	Y	93.1	Very high	76	Confident	24 Å²	24	76.1 Å²	76.1	9%	0.094	42%	0.415	C	S	.	.	H	α-helix	trans	-73.5	-46.4	179.8	-161.8	-87.3	0	0	0	112.1	Q372 F375 V376 A379 E380 M383 V431 F551 G552	Q372-Y555 PolarHBondContact NE2-O 3.33Å; F375-Y555 HydrophobicContact CD1-CD2 4.4Å; F375-Y555 HydrophobicContact CE1-CD2 4.12Å; V376-Y555 HydrophobicContact CB-CE2 4.23Å; V376-Y555 HydrophobicContact CG1-CE2 4.04Å; V376-Y555 HydrophobicContact CG2-CD1 4.36Å; V376-Y555 HydrophobicContact CG2-CD2 3.91Å; V376-Y555 HydrophobicContact CG2-CE1 4.4Å; V376-Y555 HydrophobicContact CG2-CE2 3.96Å; V376-Y555 HydrophobicContact CG2-CG 4.13Å; A379-Y555 HydrophobicContact CB-CE2 4.33Å; E380-Y555 WeakPolarHBondContact CG-OH 3.38Å; E380-Y555 PolarHBondContact OE1-OH 3.33Å; M383-Y555 HydrophobicContact CE-CD2 4.22Å; M383-Y555 HydrophobicContact CE-CE2 3.56Å; V431-Y555 HydrophobicContact CB-CD1 4.13Å; V431-Y555 HydrophobicContact CB-CD2 4.34Å; V431-Y555 HydrophobicContact CB-CE1 3.99Å; V431-Y555 HydrophobicContact CB-CE2 4.2Å; V431-Y555 HydrophobicContact CB-CG 4.3Å; V431-Y555 HydrophobicContact CG1-CD1 3.5Å; V431-Y555 HydrophobicContact CG1-CD2 4.19Å; V431-Y555 HydrophobicContact CG1-CE1 3.85Å; V431-Y555 HydrophobicContact CG1-CE2 4.47Å; V431-Y555 HydrophobicContact CG1-CG 3.69Å; F551-Y555 AromaticContact CE1-CD2 3.68Å; F551-Y555 HydrophobicContact CE1-CD2 3.68Å; F551-Y555 HydrophobicContact CE1-CE2 4.49Å; F551-Y555 HydrophobicContact CE1-CG 4.11Å; F551-Y555 HydrophobicContact CZ-CD2 4.04Å; F551-Y555 WeakPolarHBondContact O-CB 3.17Å; F551-Y555 PolarHBondContact O-N 3Å; G552-Y555 PolarHBondContact O-N 2.83Å
556	F	92	Very high	75.2	Confident	79 Å²	79	76.8 Å²	76.8	35%	0.346	42%	0.417	S	S	.	.	H	α-helix	trans	-89.3	-4.1	-175.2	-64.4	-60.3	0	0	0	114.2	Q372 R427 E430 V431 G552 T558	Q372-F556 VanDerWaalsContact NE2-C 3.33Å; R427-F556 HydrophobicContact CB-CE2 4.42Å; E430-F556 HydrophobicContact CB-CZ 4.47Å; V431-F556 HydrophobicContact CG1-CE1 4.42Å; V431-F556 HydrophobicContact CG1-CE2 3.92Å; V431-F556 HydrophobicContact CG1-CZ 3.69Å; G552-F556 WeakPolarHBondContact O-CB 3.42Å; G552-F556 WeakPolarHBondContact O-CD2 3.48Å; G552-F556 PolarHBondContact O-N 3.4Å; F556-T558 VanDerWaalsContact C-N 3.31Å; F556-T558 HydrophobicContact CB-CG2 4.22Å
557	G	89.1	Confident	74.3	Confident	40 Å²	40	75.8 Å²	75.8	41%	0.412	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	30.9	-176.2	0	0	0	0	0	112.7	Q372 D553	Q372-G557 VanDerWaalsContact NE2-N 3.11Å; D553-G557 CarbonylContact O-C 3.56Å; D553-G557 WeakPolarHBondContact O-CA 3.37Å; D553-G557 PolarHBondContact O-N 3.48Å
558	T	87.1	Confident	73.3	Confident	63 Å²	63	79.8 Å²	79.8	39%	0.387	43%	0.426	S	S	.	.			trans	-103.1	17.7	178.6	62.1	0	0	0	0	113.3	R427 D553 F556 L560	R427-T558 PolarHBondContact NH1-OG1 3.35Å; D553-T558 PolarHBondContact O-N 2.93Å; D553-T558 PolarHBondContact OD1-OG1 3.29Å; F556-T558 VanDerWaalsContact C-N 3.31Å; F556-T558 HydrophobicContact CB-CG2 4.22Å; T558-L560 PolarHBondContact O-N 3.22Å
559	T	74.3	Confident	72.2	Confident	79 Å²	79	84 Å²	84	49%	0.485	45%	0.448	S	S	.	.			trans	-59.4	125.6	164.9	-51.6	0	0	0	0	108.5	D553 D561	D553-T559 PolarHBondContact O-OG1 3.09Å; T559-D561 PolarHBondContact O-N 3.49Å
560	L	56	Low	71.1	Confident	116 Å²	116	85.6 Å²	85.6	61%	0.607	44%	0.439	S	S	*	.			trans	-77.5	113.2	169	-76.7	168	0	0	0	108.4	T558 L562	T558-L560 PolarHBondContact O-N 3.22Å; L560-L562 PolarHBondContact O-N 3.49Å
561	D	45.7	Very low	69.8	Low	113 Å²	113	86.1 Å²	86.1	60%	0.604	44%	0.44	S	S	*	.			trans	-60.7	104	168.9	-67.7	-35.5	0	0	0	109.2	T559 E563 T564	T559-D561 PolarHBondContact O-N 3.49Å; D561-E563 PolarHBondContact O-N 3.36Å; D561-T564 HydrophobicContact CB-CG2 4.39Å; D561-T564 PolarHBondContact O-N 3.05Å; D561-T564 PolarHBondContact O-OG1 3.04Å
562	L	43.6	Very low	68.2	Low	159 Å²	159	92.3 Å²	92.3	83%	0.832	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-11.5	-176.6	-76.1	165.4	0	0	0	113.3	L560	L560-L562 PolarHBondContact O-N 3.49Å
563	E	35.8	Very low	66.6	Low	195 Å²	195	99.3 Å²	99.3	91%	0.911	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	0.4	176.6	-54.7	-169.7	152	0	0	113.6	D561	D561-E563 PolarHBondContact O-N 3.36Å
564	T	35	Very low	64.6	Low	110 Å²	110	104.6 Å²	104.6	68%	0.675	53%	0.533	S	S	*	.			trans	-112.8	37.6	-180	59.9	0	0	0	0	114.1	D561	D561-T564 HydrophobicContact CB-CG2 4.39Å; D561-T564 PolarHBondContact O-N 3.05Å; D561-T564 PolarHBondContact O-OG1 3.04Å
565	R	31.3	Very low	62.1	Low	235 Å²	235	110.3 Å²	110.3	89%	0.887	57%	0.567	S	S	*	*			trans	-132.8	0	174.1	-77.8	-168.9	173.7	-162.6	0.2	113

Retrieved 565 of 565 residues in 147.6 ms (Link to these results)

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