A0A087YLW8_POEFO Loading...

glutaminase

AlphaFold DB , UniProt , Accession A0A087YLW8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 593 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	33.5	Very low	32.8	Very low	237 Å²	237	125 Å²	125	100%	1.167	84%	0.835	S	S	*	*				0	123	0	-68.1	-178.6	-163.4	0	0	106.9
2	I	34.8	Very low	32.2	Very low	164 Å²	164	123.7 Å²	123.7	84%	0.841	83%	0.829	S	S	*	*			cis	-150.3	150.8	1.6	-85.9	156.7	0	0	0	105.6
3	A	33.9	Very low	31.6	Very low	85 Å²	85	128.6 Å²	128.6	70%	0.702	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-61.4	168.4	-174.4	0	0	0	0	0	116.4
4	P	38.9	Very low	31.3	Very low	119 Å²	119	125.9 Å²	125.9	77%	0.773	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-86.4	155.9	172.9	36.1	-32.1	0	0	0	111.8
5	P	45	Very low	31	Very low	121 Å²	121	125.3 Å²	125.3	79%	0.786	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-98.8	122.3	160	32.9	-21.8	0	0	0	109
6	A	31.8	Very low	30.9	Very low	98 Å²	98	124.7 Å²	124.7	81%	0.81	82%	0.816	S	S	*	*				97	122.1	67.9	0	0	0	0	0	111.6
7	A	31	Very low	30.8	Very low	107 Å²	107	127.9 Å²	127.9	88%	0.884	82%	0.824	S	S	*	*			trans	-72.6	149.9	-179.6	0	0	0	0	0	113
8	A	29.6	Very low	30.6	Very low	103 Å²	103	127.3 Å²	127.3	85%	0.851	82%	0.823	S	S	*	*			trans	-162.6	142.8	160.6	0	0	0	0	0	108.1
9	A	28.8	Very low	30.6	Very low	89 Å²	89	124 Å²	124	74%	0.736	82%	0.815	S	S	*	*			cis	-164.1	123.8	-20.8	0	0	0	0	0	103.8	L11	A9-L11 PolarHBondContact O-N 3.22Å
10	A	28	Very low	30.3	Very low	104 Å²	104	131.1 Å²	131.1	86%	0.86	82%	0.824	S	S	*	*			trans	-79.1	110	172.4	0	0	0	0	0	108.4	S12	A10-S12 PolarHBondContact O-N 3.45Å
11	L	25.1	Very low	30.2	Very low	148 Å²	148	136.7 Å²	136.7	78%	0.775	83%	0.83	S	S	*	*			trans	-82.9	89.6	170.5	-84.9	160.1	0	0	0	109.3	A9 F13	A9-L11 PolarHBondContact O-N 3.22Å; L11-F13 HydrophobicContact CD2-CD2 4.42Å; L11-F13 HydrophobicContact CD2-CE2 3.98Å; L11-F13 PolarHBondContact O-N 3.5Å
12	S	25.6	Very low	29.9	Very low	109 Å²	109	129.9 Å²	129.9	76%	0.762	81%	0.811	S	S	*	*			trans	-76.7	105.5	157.7	60.5	0	0	0	0	108.9	A10 A14	A10-S12 PolarHBondContact O-N 3.45Å; S12-A14 PolarHBondContact O-N 3.29Å
13	F	25	Very low	29.6	Very low	188 Å²	188	128.1 Å²	128.1	83%	0.825	81%	0.811	S	S	*	*			trans	-86.9	101.4	163.1	-96.1	-82.9	0	0	0	109	L11	L11-F13 HydrophobicContact CD2-CD2 4.42Å; L11-F13 HydrophobicContact CD2-CE2 3.98Å; L11-F13 PolarHBondContact O-N 3.5Å
14	A	26.8	Very low	29.4	Very low	90 Å²	90	132.9 Å²	132.9	74%	0.744	82%	0.818	S	S	*	*			trans	-65.7	124.8	164.9	0	0	0	0	0	109.4	S12	S12-A14 PolarHBondContact O-N 3.29Å
15	C	27.3	Very low	29.3	Very low	117 Å²	117	133 Å²	133	79%	0.791	82%	0.819	S	S	*	*			trans	-84.9	128.6	171.2	-158.6	0	0	0	0	108.8	L17	C15-L17 PolarHBondContact O-N 3.24Å
16	P	29.8	Very low	28.3	Very low	116 Å²	116	130.6 Å²	130.6	75%	0.753	82%	0.817	S	S	*	*			trans	-80.7	107.9	179.1	29.8	-27.3	0	0	0	109.6	S18	P16-S18 PolarHBondContact O-N 3.49Å
17	L	28.3	Very low	28.1	Very low	180 Å²	180	137.9 Å²	137.9	94%	0.942	82%	0.823	S	S	*	*			trans	-80.4	101.2	163.9	-83.2	160.4	0	0	0	108.6	C15	C15-L17 PolarHBondContact O-N 3.24Å
18	S	27.7	Very low	28.2	Very low	116 Å²	116	143 Å²	143	81%	0.811	83%	0.826	S	S	*	*			trans	-137.7	127.1	160.7	61.1	0	0	0	0	109.3	P16	P16-S18 PolarHBondContact O-N 3.49Å
19	G	30.3	Very low	28.1	Very low	65 Å²	65	142.8 Å²	142.8	67%	0.67	82%	0.824	S	S	*	*			trans	144.2	16.9	159.8	0	0	0	0	0	119.9
20	W	25	Very low	27.9	Very low	265 Å²	265	142 Å²	142	100%	1.004	83%	0.825	S	S	*	*			trans	-133.4	94.6	168.6	-78.2	66.9	0	0	0	111
21	R	27.9	Very low	27.7	Very low	249 Å²	249	147.4 Å²	147.4	94%	0.94	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-80.7	125.5	166	-85.4	-175.5	176.5	-163.6	-0.6	108.9
22	A	27.4	Very low	27.8	Very low	94 Å²	94	151.6 Å²	151.6	78%	0.777	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-69.1	138.2	167.4	0	0	0	0	0	110.9
23	P	29.2	Very low	27.7	Very low	128 Å²	128	150 Å²	150	83%	0.831	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-89.8	127.7	167.9	30	-22.8	0	0	0	110.9
24	Q	29.3	Very low	27.8	Very low	185 Å²	185	151 Å²	151	86%	0.864	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-80.4	160.9	166.4	-88.4	-127.2	1.9	0	0	111.6
25	P	35.9	Very low	27.6	Very low	120 Å²	120	152.9 Å²	152.9	78%	0.779	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-87.1	139.6	-161	34.3	-31.9	0	0	0	112.4
26	G	25.5	Very low	27.6	Very low	72 Å²	72	153.8 Å²	153.8	74%	0.742	85%	0.848	S	S	*	*			trans	-178.1	127.6	172.4	0	0	0	0	0	115.2
27	R	25.6	Very low	27.5	Very low	250 Å²	250	154.3 Å²	154.3	94%	0.943	85%	0.851	S	S	*	*			trans	89.8	105	158.6	-63.1	-174.1	175.3	-168.9	-1.4	118.5
28	K	33.2	Very low	27.4	Very low	216 Å²	216	150.7 Å²	150.7	94%	0.939	85%	0.847	S	S	*	*			trans	-43	128.5	154	-64.5	174.7	175.3	178.8	0	111.3
29	A	27.5	Very low	27.4	Very low	98 Å²	98	155.5 Å²	155.5	81%	0.81	85%	0.853	S	S	*	*			trans	-128.8	109.1	156.4	0	0	0	0	0	107.5
30	G	25.9	Very low	27.2	Very low	73 Å²	73	155.6 Å²	155.6	75%	0.753	86%	0.855	S	S	*	*			trans	-75.1	138.3	174.1	0	0	0	0	0	110.3
31	F	24.3	Very low	27.3	Very low	217 Å²	217	152.1 Å²	152.1	95%	0.952	85%	0.849	S	S	*	*			trans	-110.4	127.6	163.2	-117.6	-94.8	0	0	0	109.4
32	R	25.6	Very low	27.4	Very low	236 Å²	236	145.4 Å²	145.4	89%	0.891	84%	0.841	S	S	*	*			trans	-70.4	130.2	-166	-70.8	170.5	167.7	-172.7	-5.2	111.6
33	G	24.5	Very low	27.4	Very low	76 Å²	76	150.2 Å²	150.2	78%	0.784	85%	0.847	S	S	*	*			trans	-72.2	134.1	159.5	0	0	0	0	0	110.5
34	F	26.1	Very low	27.5	Very low	208 Å²	208	149.3 Å²	149.3	91%	0.912	85%	0.851	S	S	*	*			trans	-76.3	114.4	166	-87.9	-95.7	0	0	0	109
35	C	23.8	Very low	27.4	Very low	129 Å²	129	146 Å²	146	87%	0.872	85%	0.848	S	S	*	*			trans	-144.8	114.2	158.1	-90.8	0	0	0	0	108.7
36	T	27.7	Very low	27.4	Very low	136 Å²	136	146.9 Å²	146.9	83%	0.834	85%	0.851	S	S	*	*			trans	-80.3	143.6	163.2	37.8	0	0	0	0	109.5
37	P	26.6	Very low	27.5	Very low	128 Å²	128	150.8 Å²	150.8	83%	0.831	86%	0.855	S	S	*	*			trans	-95.9	128	174.3	34	-26.2	0	0	0	110.4
38	A	27.3	Very low	28	Very low	103 Å²	103	145.1 Å²	145.1	85%	0.851	85%	0.848	S	S	*	*			trans	-110.1	127.2	163	0	0	0	0	0	109.2
39	K	27.3	Very low	27.8	Very low	217 Å²	217	140.5 Å²	140.5	94%	0.943	84%	0.843	S	S	*	*			trans	-64.1	150.5	174.6	-69.9	172.7	172.1	177.8	0	111
40	G	25.8	Very low	28.2	Very low	68 Å²	68	140.1 Å²	140.1	70%	0.701	84%	0.84	S	S	*	*			trans	169.7	93.4	160.9	0	0	0	0	0	115.3
41	H	27.5	Very low	28.8	Very low	191 Å²	191	144 Å²	144	88%	0.884	84%	0.843	S	S	*	*			trans	49.2	126.6	146.7	-69.2	-69	0	0	0	123
42	S	29.1	Very low	29.4	Very low	109 Å²	109	143 Å²	143	76%	0.762	84%	0.839	S	S	*	*			trans	-62.4	137.1	159.5	54.8	0	0	0	0	112.5
43	E	27.8	Very low	29.8	Very low	195 Å²	195	143.6 Å²	143.6	91%	0.911	84%	0.841	S	S	*	*			trans	-150.4	125.2	145.6	-111.9	172.6	-161.5	0	0	108.9
44	A	32.1	Very low	30.3	Very low	109 Å²	109	151.6 Å²	151.6	90%	0.901	85%	0.847	S	S	*	*			trans	-89.3	122.7	170.8	0	0	0	0	0	107.9
45	S	26.2	Very low	30.9	Very low	115 Å²	115	151 Å²	151	80%	0.804	84%	0.844	S	S	*	*			trans	-137	127.5	158.9	52.9	0	0	0	0	109.4
46	T	36.8	Very low	31.6	Very low	138 Å²	138	149.2 Å²	149.2	85%	0.847	84%	0.839	S	S	*	*			trans	-69.5	126.5	171.6	41.7	0	0	0	0	109.5
47	D	26.4	Very low	32.3	Very low	155 Å²	155	146.5 Å²	146.5	83%	0.829	84%	0.838	S	S	*	*			trans	-153.3	135.3	148.2	-132.3	-15.3	0	0	0	113.6
48	T	37.4	Very low	33.8	Very low	131 Å²	131	147.4 Å²	147.4	80%	0.804	84%	0.835	S	S	*	*			trans	-80.6	118.5	-180	39.4	0	0	0	0	110.5
49	S	27.7	Very low	35.2	Very low	118 Å²	118	150 Å²	150	83%	0.825	83%	0.833	S	S	*	*			trans	-156.6	137.8	153.7	56.7	0	0	0	0	112.2
50	A	36.4	Very low	37.3	Very low	90 Å²	90	143 Å²	143	74%	0.744	81%	0.81	S	S	*	*			trans	-67.5	172.1	177.7	0	0	0	0	0	112.6
51	D	39.4	Very low	40.1	Very low	155 Å²	155	141.1 Å²	141.1	83%	0.829	79%	0.786	S	S	*	*			trans	78.9	109	164.5	-81.3	-20.6	0	0	0	119.8
52	K	35.5	Very low	42.9	Very low	196 Å²	196	136.3 Å²	136.3	85%	0.852	77%	0.766	S	S	*	*			trans	123.5	55.8	149.5	-67.9	172.3	-179.6	171.2	0	114.2	R54	K52-R54 VanDerWaalsContact C-N 3.32Å; K52-R54 PolarHBondContact O-N 3.21Å; K52-R54 VanDerWaalsContact O-N 3.11Å
53	R	33.6	Very low	45.8	Very low	249 Å²	249	132.7 Å²	132.7	94%	0.94	74%	0.737	S	S	*	*			trans	-73.9	93.7	147.2	-88.3	-178	174.4	172.4	-0.8	108.4	K55	R53-K55 PolarHBondContact O-N 2.84Å
54	R	36.4	Very low	48.6	Very low	243 Å²	243	124.7 Å²	124.7	92%	0.917	70%	0.701	S	S	*	*			trans	-46.8	110.1	160.7	-77.1	177.5	170.6	177.1	-3.2	107.6	K52 A56	K52-R54 VanDerWaalsContact C-N 3.32Å; K52-R54 PolarHBondContact O-N 3.21Å; K52-R54 VanDerWaalsContact O-N 3.11Å; R54-A56 PolarHBondContact O-N 3.05Å
55	K	39.1	Very low	51.3	Low	195 Å²	195	122.3 Å²	122.3	85%	0.848	67%	0.673	S	S	*	*			trans	-57.9	120.8	169.9	-80.8	-178.3	176.7	177.2	0	107	R53 G57	R53-K55 PolarHBondContact O-N 2.84Å; K55-G57 PolarHBondContact O-N 3.32Å
56	A	37.5	Very low	54.3	Low	92 Å²	92	117.3 Å²	117.3	76%	0.76	64%	0.637	S	S	*	*			trans	-49.2	128.5	168.7	0	0	0	0	0	108.4	R54 I58	R54-A56 PolarHBondContact O-N 3.05Å; A56-I58 PolarHBondContact O-N 2.95Å
57	G	42.5	Very low	56.9	Low	79 Å²	79	111 Å²	111	81%	0.814	60%	0.598	S	S	*	*			trans	-55.5	103.7	-173.7	0	0	0	0	0	111.2	K55 L59	K55-G57 PolarHBondContact O-N 3.32Å; G57-L59 PolarHBondContact O-N 3.3Å
58	I	58.5	Low	59.9	Low	148 Å²	148	109.1 Å²	109.1	76%	0.759	58%	0.58	S	S	*	*			trans	-67.9	113	165.3	-61.1	169	0	0	0	104.6	A56	A56-I58 PolarHBondContact O-N 2.95Å
59	L	56.1	Low	62.3	Low	157 Å²	157	107 Å²	107	82%	0.822	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-48.6	125.3	167.5	-80.5	156.2	0	0	0	107.5	G57 S61	G57-L59 PolarHBondContact O-N 3.3Å; L59-S61 PolarHBondContact O-N 3.05Å
60	P	72.8	Confident	65.3	Low	70 Å²	70	101.8 Å²	101.8	46%	0.455	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-57.6	134.6	-177.5	19.6	-28.2	0	0	0	109.4	D64 L65	P60-D64 HydrophobicContact CB-CB 4.18Å; P60-L65 HydrophobicContact CB-CD1 3.83Å; P60-L65 HydrophobicContact CB-CG 4.35Å; P60-L65 HydrophobicContact CG-CD1 3.87Å; P60-L65 HydrophobicContact CG-CG 4.3Å; P60-L65 WeakPolarHBondContact O-CD1 3.48Å
61	S	84.7	Confident	67.7	Low	29 Å²	29	97.5 Å²	97.5	20%	0.203	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-68.3	156.4	177.6	64.2	0	0	0	0	110.3	L59 E63 D64 L65 K123	L59-S61 PolarHBondContact O-N 3.05Å; S61-E63 VanDerWaalsContact CB-OE2 3.22Å; S61-E63 WeakPolarHBondContact CB-OE2 3.24Å; S61-E63 PolarHBondContact O-N 3.36Å; S61-E63 VanDerWaalsContact O-N 3.12Å; S61-E63 PolarHBondContact OG-OE2 3.35Å; S61-D64 WeakPolarHBondContact CB-OD2 3.32Å; S61-D64 PolarHBondContact N-OD2 2.99Å; S61-D64 VanDerWaalsContact N-OD2 3.09Å; S61-D64 WeakPolarHBondContact O-CA 3.33Å; S61-D64 WeakPolarHBondContact O-CB 3.18Å; S61-D64 PolarHBondContact O-N 3.36Å; S61-D64 PolarHBondContact OG-OD2 3.23Å; S61-L65 VanDerWaalsContact O-CD1 3.22Å; S61-L65 WeakPolarHBondContact O-CD1 3.36Å; S61-L65 PolarHBondContact O-N 3.5Å; S61-K123 PolarHBondContact OG-NZ 2.88Å
62	L	85.2	Confident	70	Confident	89 Å²	89	97.2 Å²	97.2	47%	0.466	49%	0.488	S	S	.	.	H	α-helix	trans	-55.4	-34.8	-177.1	-73.3	173.2	0	0	0	112	L65 L66 I130	L62-L65 PolarHBondContact O-N 3.18Å; L62-L66 WeakPolarHBondContact O-CB 3.41Å; L62-L66 PolarHBondContact O-N 3.16Å; L62-I130 HydrophobicContact CB-CG1 4.19Å
63	E	89.3	Confident	72.2	Confident	33 Å²	33	91.6 Å²	91.6	15%	0.154	49%	0.485	C	S	.	.	H	α-helix	trans	-64.7	-39.5	174.4	-54.1	87.8	160.8	0	0	112.1	S61 L66 F67 K123 V126 I130	S61-E63 VanDerWaalsContact CB-OE2 3.22Å; S61-E63 WeakPolarHBondContact CB-OE2 3.24Å; S61-E63 PolarHBondContact O-N 3.36Å; S61-E63 VanDerWaalsContact O-N 3.12Å; S61-E63 PolarHBondContact OG-OE2 3.35Å; E63-L66 PolarHBondContact O-N 3.19Å; E63-F67 WeakPolarHBondContact O-CB 3.26Å; E63-F67 PolarHBondContact O-N 3.24Å; E63-K123 HydrophobicContact CB-CB 4.25Å; E63-K123 HydrophobicContact CB-CD 4.2Å; E63-K123 HydrophobicContact CB-CG 3.85Å; E63-K123 HydrophobicContact CG-CG 4.05Å; E63-K123 IonicContact OE2-NZ 3.05Å; E63-V126 HydrophobicContact CB-CG2 4.09Å; E63-V126 HydrophobicContact CG-CG2 4.01Å; E63-I130 HydrophobicContact CB-CD1 4.43Å; E63-I130 HydrophobicContact CG-CB 4.45Å; E63-I130 HydrophobicContact CG-CD1 3.95Å; E63-I130 HydrophobicContact CG-CG1 3.93Å
64	D	87.9	Confident	74.8	Confident	27 Å²	27	84.8 Å²	84.8	14%	0.144	46%	0.464	C	S	.	.	H	α-helix	trans	-68.5	-42.4	176.6	-60.1	-46.7	0	0	0	110.9	P60 S61 L66 F67 Y68 R119	P60-D64 HydrophobicContact CB-CB 4.18Å; S61-D64 WeakPolarHBondContact CB-OD2 3.32Å; S61-D64 PolarHBondContact N-OD2 2.99Å; S61-D64 VanDerWaalsContact N-OD2 3.09Å; S61-D64 WeakPolarHBondContact O-CA 3.33Å; S61-D64 WeakPolarHBondContact O-CB 3.18Å; S61-D64 PolarHBondContact O-N 3.36Å; S61-D64 PolarHBondContact OG-OD2 3.23Å; D64-L66 VanDerWaalsContact C-N 3.29Å; D64-L66 PolarHBondContact O-N 3.19Å; D64-F67 WeakPolarHBondContact O-CB 3.26Å; D64-F67 PolarHBondContact O-N 3.27Å; D64-Y68 HydrophobicContact CB-CE2 4.16Å; D64-Y68 WeakPolarHBondContact O-CD2 3.32Å; D64-Y68 PolarHBondContact O-N 2.96Å; D64-R119 WeakPolarHBondContact OD1-CD 3.5Å; D64-R119 IonicContact OD1-NE 2.72Å
65	L	87.2	Confident	77.2	Confident	60 Å²	60	81.6 Å²	81.6	31%	0.314	46%	0.46	S	S	.	.	H	α-helix	trans	-59.8	-42.7	174.4	-80	104	0	0	0	111.2	P60 S61 L62 Y68 T69	P60-L65 HydrophobicContact CB-CD1 3.83Å; P60-L65 HydrophobicContact CB-CG 4.35Å; P60-L65 HydrophobicContact CG-CD1 3.87Å; P60-L65 HydrophobicContact CG-CG 4.3Å; P60-L65 WeakPolarHBondContact O-CD1 3.48Å; S61-L65 VanDerWaalsContact O-CD1 3.22Å; S61-L65 WeakPolarHBondContact O-CD1 3.36Å; S61-L65 PolarHBondContact O-N 3.5Å; L62-L65 PolarHBondContact O-N 3.18Å; L65-Y68 PolarHBondContact O-N 3.25Å; L65-T69 PolarHBondContact O-N 2.87Å; L65-T69 PolarHBondContact O-OG1 2.93Å
66	L	89.9	Confident	79.7	Confident	9 Å²	9	76.6 Å²	76.6	5%	0.047	44%	0.438	C	S	.	.	H	α-helix	trans	-64.2	-41.8	177.4	-177.4	61.5	0	0	0	111.6	L62 E63 D64 Y68 T69 I70 F122 I130 L133 F137	L62-L66 WeakPolarHBondContact O-CB 3.41Å; L62-L66 PolarHBondContact O-N 3.16Å; E63-L66 PolarHBondContact O-N 3.19Å; D64-L66 VanDerWaalsContact C-N 3.29Å; D64-L66 PolarHBondContact O-N 3.19Å; L66-Y68 PolarHBondContact O-N 3.11Å; L66-T69 WeakPolarHBondContact O-CB 3.23Å; L66-T69 PolarHBondContact O-N 3.31Å; L66-I70 HydrophobicContact CD1-CD1 4.01Å; L66-I70 HydrophobicContact CD1-CG1 4.39Å; L66-I70 HydrophobicContact CG-CD1 4.14Å; L66-I70 WeakPolarHBondContact O-CG1 3.37Å; L66-I70 PolarHBondContact O-N 3.3Å; L66-F122 HydrophobicContact CB-CE1 4.31Å; L66-F122 HydrophobicContact CD2-CE1 4.19Å; L66-F122 HydrophobicContact CD2-CZ 4.04Å; L66-F122 HydrophobicContact CG-CE1 4.1Å; L66-F122 HydrophobicContact CG-CZ 3.98Å; L66-I130 HydrophobicContact CB-CD1 4.45Å; L66-I130 HydrophobicContact CD2-CD1 3.81Å; L66-L133 HydrophobicContact CD2-CB 3.93Å; L66-F137 HydrophobicContact CD1-CB 3.57Å; L66-F137 HydrophobicContact CD1-CD1 4.45Å; L66-F137 HydrophobicContact CD1-CD2 3.51Å; L66-F137 HydrophobicContact CD1-CE2 4.31Å; L66-F137 HydrophobicContact CD1-CG 3.6Å; L66-F137 HydrophobicContact CD2-CD2 4.37Å; L66-F137 HydrophobicContact CG-CD2 4.5Å
67	F	91.5	Very high	82.3	Confident	5 Å²	5	72.2 Å²	72.2	2%	0.022	40%	0.402	C	S	.	.	H	α-helix	trans	-55.3	-52.7	173.9	179.1	-91	0	0	0	111.1	E63 D64 T69 I70 A71 E75 I77 R119 F122	E63-F67 WeakPolarHBondContact O-CB 3.26Å; E63-F67 PolarHBondContact O-N 3.24Å; D64-F67 WeakPolarHBondContact O-CB 3.26Å; D64-F67 PolarHBondContact O-N 3.27Å; F67-T69 VanDerWaalsContact C-N 3.26Å; F67-T69 PolarHBondContact O-N 2.83Å; F67-I70 PolarHBondContact O-N 3.4Å; F67-I70 VanDerWaalsContact O-N 3.14Å; F67-A71 HydrophobicContact CD1-CB 4.26Å; F67-A71 HydrophobicContact CE1-CB 3.94Å; F67-A71 HydrophobicContact CZ-CB 4.25Å; F67-A71 WeakPolarHBondContact O-CB 3.45Å; F67-A71 PolarHBondContact O-N 3.42Å; F67-E75 WeakPolarHBondContact CZ-O 3.17Å; F67-I77 HydrophobicContact CD2-CD1 3.31Å; F67-I77 HydrophobicContact CD2-CG1 4.05Å; F67-I77 HydrophobicContact CE2-CB 4.49Å; F67-I77 HydrophobicContact CE2-CD1 3.48Å; F67-I77 VanDerWaalsContact CE2-CD1 3.48Å; F67-I77 HydrophobicContact CE2-CG1 3.67Å; F67-I77 HydrophobicContact CG-CD1 3.98Å; F67-I77 HydrophobicContact CZ-CD1 4.25Å; F67-I77 HydrophobicContact CZ-CG1 4.13Å; F67-R119 HydrophobicContact CD1-CB 4.3Å; F67-R119 HydrophobicContact CD1-CG 4.18Å; F67-R119 HydrophobicContact CD2-CB 4.39Å; F67-R119 HydrophobicContact CE1-CB 4.2Å; F67-R119 HydrophobicContact CE2-CB 4.27Å; F67-R119 HydrophobicContact CG-CB 4.41Å; F67-R119 HydrophobicContact CG-CG 4.19Å; F67-R119 HydrophobicContact CZ-CB 4.18Å; F67-F122 HydrophobicContact CB-CD1 3.8Å; F67-F122 HydrophobicContact CB-CE1 4.03Å; F67-F122 HydrophobicContact CB-CG 4.5Å; F67-F122 HydrophobicContact CD2-CB 3.68Å; F67-F122 AromaticContact CD2-CD1 3.86Å; F67-F122 HydrophobicContact CD2-CD1 3.86Å; F67-F122 HydrophobicContact CD2-CD2 4.34Å; F67-F122 AromaticContact CD2-CG 3.7Å; F67-F122 HydrophobicContact CD2-CG 3.7Å; F67-F122 HydrophobicContact CE2-CB 4.17Å; F67-F122 HydrophobicContact CG-CD1 4.35Å
68	Y	89.4	Confident	84.6	Confident	117 Å²	117	70.2 Å²	70.2	46%	0.459	37%	0.374	S	S	.	.	H	α-helix	trans	-63.6	-32.7	-179.6	-63.7	-57.5	0	0	0	113	D64 L65 L66 I70 E72 R119	D64-Y68 HydrophobicContact CB-CE2 4.16Å; D64-Y68 WeakPolarHBondContact O-CD2 3.32Å; D64-Y68 PolarHBondContact O-N 2.96Å; L65-Y68 PolarHBondContact O-N 3.25Å; L66-Y68 PolarHBondContact O-N 3.11Å; Y68-I70 VanDerWaalsContact C-N 3.3Å; Y68-I70 PolarHBondContact O-N 3.43Å; Y68-E72 PolarHBondContact O-N 3.13Å; Y68-R119 PolarHBondContact OH-NH1 3.46Å
69	T	88.4	Confident	86	Confident	86 Å²	86	63.5 Å²	63.5	53%	0.528	34%	0.341	S	S	.	.	H	α-helix	trans	-62	-38.4	176.3	-54.1	0	0	0	0	111.6	L65 L66 F67	L65-T69 PolarHBondContact O-N 2.87Å; L65-T69 PolarHBondContact O-OG1 2.93Å; L66-T69 WeakPolarHBondContact O-CB 3.23Å; L66-T69 PolarHBondContact O-N 3.31Å; F67-T69 VanDerWaalsContact C-N 3.26Å; F67-T69 PolarHBondContact O-N 2.83Å
70	I	89.4	Confident	87.6	Confident	8 Å²	8	62.2 Å²	62.2	4%	0.041	33%	0.331	C	S	.	.	H	α-helix	trans	-90.8	-32.8	-176.5	-58.9	175.7	0	0	0	111.8	L66 F67 Y68 E72 I77 K81 F82 F122 F137	L66-I70 HydrophobicContact CD1-CD1 4.01Å; L66-I70 HydrophobicContact CD1-CG1 4.39Å; L66-I70 HydrophobicContact CG-CD1 4.14Å; L66-I70 WeakPolarHBondContact O-CG1 3.37Å; L66-I70 PolarHBondContact O-N 3.3Å; F67-I70 PolarHBondContact O-N 3.4Å; F67-I70 VanDerWaalsContact O-N 3.14Å; Y68-I70 VanDerWaalsContact C-N 3.3Å; Y68-I70 PolarHBondContact O-N 3.43Å; I70-E72 VanDerWaalsContact C-N 3.3Å; I70-E72 PolarHBondContact O-N 3.01Å; I70-I77 HydrophobicContact CB-CD1 3.94Å; I70-I77 HydrophobicContact CG2-CD1 4.01Å; I70-I77 HydrophobicContact CG2-CG1 4.45Å; I70-I77 HydrophobicContact CG2-CG2 3.82Å; I70-K81 WeakPolarHBondContact O-CE 3.47Å; I70-K81 PolarHBondContact O-NZ 2.95Å; I70-F82 HydrophobicContact CD1-CD2 3.7Å; I70-F82 HydrophobicContact CD1-CE2 4Å; I70-F122 HydrophobicContact CD1-CE2 4.33Å; I70-F122 HydrophobicContact CD1-CZ 4.03Å; I70-F137 HydrophobicContact CD1-CD1 4.17Å; I70-F137 HydrophobicContact CD1-CD2 4.39Å; I70-F137 HydrophobicContact CD1-CE1 3.72Å; I70-F137 HydrophobicContact CD1-CE2 3.97Å; I70-F137 HydrophobicContact CD1-CG 4.49Å; I70-F137 HydrophobicContact CD1-CZ 3.61Å; I70-F137 HydrophobicContact CG1-CD1 4.24Å; I70-F137 HydrophobicContact CG1-CE1 4.04Å; I70-F137 HydrophobicContact CG1-CZ 4.43Å
71	A	88.3	Confident	88.5	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-70.4	-25.5	-179.3	0	0	0	0	0	112.8	F67 G73 Q74 I77	F67-A71 HydrophobicContact CD1-CB 4.26Å; F67-A71 HydrophobicContact CE1-CB 3.94Å; F67-A71 HydrophobicContact CZ-CB 4.25Å; F67-A71 WeakPolarHBondContact O-CB 3.45Å; F67-A71 PolarHBondContact O-N 3.42Å; A71-G73 PolarHBondContact O-N 3.28Å; A71-Q74 WeakPolarHBondContact CB-O 3.47Å; A71-Q74 VanDerWaalsContact O-CB 3.29Å; A71-Q74 WeakPolarHBondContact O-CB 3.38Å; A71-Q74 WeakPolarHBondContact O-CG 3.31Å; A71-Q74 PolarHBondContact O-N 3.41Å; A71-I77 HydrophobicContact CB-CD1 4.11Å; A71-I77 HydrophobicContact CB-CG1 3.73Å
72	E	86.7	Confident	88.8	Confident	149 Å²	149	59.9 Å²	59.9	70%	0.696	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	39.1	179.2	-62.9	169.8	168.5	0	0	112.3	Y68 I70 K81	Y68-E72 PolarHBondContact O-N 3.13Å; I70-E72 VanDerWaalsContact C-N 3.3Å; I70-E72 PolarHBondContact O-N 3.01Å; E72-K81 IonicContact OE2-NZ 3.88Å; E72-K81 PolarHBondContact OE2-NZ 3.29Å
73	G	82.9	Confident	89.2	Confident	78 Å²	78	57.2 Å²	57.2	80%	0.804	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.5	-2.2	-178.9	0	0	0	0	0	115.7	A71	A71-G73 PolarHBondContact O-N 3.28Å
74	Q	87.6	Confident	89.3	Confident	106 Å²	106	59.9 Å²	59.9	50%	0.495	32%	0.316	S	S	.	.			trans	-78.6	152.9	173.5	-61	-178.3	-16.3	0	0	112.2	A71	A71-Q74 WeakPolarHBondContact CB-O 3.47Å; A71-Q74 VanDerWaalsContact O-CB 3.29Å; A71-Q74 WeakPolarHBondContact O-CB 3.38Å; A71-Q74 WeakPolarHBondContact O-CG 3.31Å; A71-Q74 PolarHBondContact O-N 3.41Å
75	E	87.4	Confident	89.6	Confident	177 Å²	177	59.9 Å²	59.9	83%	0.827	32%	0.32	S	S	*	.	S	Bend	trans	-75.6	-23.2	178.9	-66.1	-167.6	158.7	0	0	113.9	F67	F67-E75 WeakPolarHBondContact CZ-O 3.17Å
76	K	90.6	Very high	89.9	Confident	90 Å²	90	57 Å²	57	39%	0.391	31%	0.305	S	S	.	.	S	Bend	trans	-136.2	152.6	179.6	-57.9	-171	-172.9	-174.6	0	110.8	D114 A116 L117	K76-D114 IonicContact NZ-OD2 2.8Å; K76-D114 PolarHBondContact NZ-OD2 3.39Å; K76-A116 HydrophobicContact CB-CB 3.96Å; K76-A116 HydrophobicContact CD-CB 3.89Å; K76-L117 CarbonylContact C-O 3.59Å; K76-L117 WeakPolarHBondContact CA-O 3.31Å
77	I	91.2	Very high	90.1	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	118.7	176.3	-60	169.2	0	0	0	109.3	F67 I70 A71 A79 F82 L117 F122	F67-I77 HydrophobicContact CD2-CD1 3.31Å; F67-I77 HydrophobicContact CD2-CG1 4.05Å; F67-I77 HydrophobicContact CE2-CB 4.49Å; F67-I77 HydrophobicContact CE2-CD1 3.48Å; F67-I77 VanDerWaalsContact CE2-CD1 3.48Å; F67-I77 HydrophobicContact CE2-CG1 3.67Å; F67-I77 HydrophobicContact CG-CD1 3.98Å; F67-I77 HydrophobicContact CZ-CD1 4.25Å; F67-I77 HydrophobicContact CZ-CG1 4.13Å; I70-I77 HydrophobicContact CB-CD1 3.94Å; I70-I77 HydrophobicContact CG2-CD1 4.01Å; I70-I77 HydrophobicContact CG2-CG1 4.45Å; I70-I77 HydrophobicContact CG2-CG2 3.82Å; A71-I77 HydrophobicContact CB-CD1 4.11Å; A71-I77 HydrophobicContact CB-CG1 3.73Å; I77-A79 PolarHBondContact O-N 2.98Å; I77-F82 HydrophobicContact CG2-CB 4.18Å; I77-L117 PolarHBondContact N-O 3.45Å; I77-L117 PolarHBondContact O-N 3.04Å; I77-F122 HydrophobicContact CD1-CD2 4.02Å; I77-F122 HydrophobicContact CD1-CE2 4.1Å; I77-F122 HydrophobicContact CD1-CG 4.48Å
78	P	91.4	Very high	90.2	Very high	36 Å²	36	65 Å²	65	23%	0.234	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	132.3	168.3	-21.9	33.3	0	0	0	110.8	H80 K81 F82	P78-H80 WeakPolarHBondContact CB-CE1 3.02Å; P78-H80 WeakPolarHBondContact CB-ND1 3.47Å; P78-H80 PolarHBondContact O-N 2.87Å; P78-H80 VanDerWaalsContact O-N 3.15Å; P78-K81 HydrophobicContact CB-CB 4.31Å; P78-K81 WeakPolarHBondContact O-CA 3.32Å; P78-K81 WeakPolarHBondContact O-CB 3.44Å; P78-K81 PolarHBondContact O-N 3.4Å; P78-F82 PolarHBondContact O-N 3.45Å
79	A	88.4	Confident	90.5	Very high	8 Å²	8	60.2 Å²	60.2	7%	0.066	33%	0.33	C	S	.	.	H	α-helix	trans	-62.1	-27.8	-176.5	0	0	0	0	0	113.8	I77 K81 F82 T83 L105 L109 G115	I77-A79 PolarHBondContact O-N 2.98Å; A79-K81 VanDerWaalsContact C-N 3.32Å; A79-F82 PolarHBondContact O-N 2.84Å; A79-T83 WeakPolarHBondContact O-CG2 3.23Å; A79-T83 PolarHBondContact O-N 3.04Å; A79-T83 PolarHBondContact O-OG1 3.04Å; A79-L105 HydrophobicContact CB-CD1 4.12Å; A79-L109 HydrophobicContact CB-CD1 3.88Å; A79-L109 HydrophobicContact CB-CD2 3.65Å; A79-L109 HydrophobicContact CB-CG 4.19Å; A79-G115 PolarHBondContact N-O 3.21Å
80	H	89.1	Confident	90.9	Very high	130 Å²	130	56.3 Å²	56.3	60%	0.602	31%	0.307	S	S	*	.	H	α-helix	trans	-65.8	-34.8	173.1	75.5	-92.9	0	0	0	111.9	P78 T83 T84	P78-H80 WeakPolarHBondContact CB-CE1 3.02Å; P78-H80 WeakPolarHBondContact CB-ND1 3.47Å; P78-H80 PolarHBondContact O-N 2.87Å; P78-H80 VanDerWaalsContact O-N 3.15Å; H80-T83 WeakPolarHBondContact CA-OG1 3.41Å; H80-T83 PolarHBondContact O-OG1 2.94Å; H80-T83 VanDerWaalsContact O-OG1 3.11Å; H80-T84 VanDerWaalsContact O-CB 3.27Å; H80-T84 WeakPolarHBondContact O-CB 3.38Å; H80-T84 PolarHBondContact O-N 3.26Å; H80-T84 PolarHBondContact O-OG1 3.02Å
81	K	91.9	Very high	91.2	Very high	47 Å²	47	56 Å²	56	20%	0.204	31%	0.305	C	S	.	.	H	α-helix	trans	-66.4	-45.4	176	-170.2	-178.9	-176.2	-172.4	0	110	I70 E72 P78 A79 T84 A85	I70-K81 WeakPolarHBondContact O-CE 3.47Å; I70-K81 PolarHBondContact O-NZ 2.95Å; E72-K81 IonicContact OE2-NZ 3.88Å; E72-K81 PolarHBondContact OE2-NZ 3.29Å; P78-K81 HydrophobicContact CB-CB 4.31Å; P78-K81 WeakPolarHBondContact O-CA 3.32Å; P78-K81 WeakPolarHBondContact O-CB 3.44Å; P78-K81 PolarHBondContact O-N 3.4Å; A79-K81 VanDerWaalsContact C-N 3.32Å; K81-T84 PolarHBondContact O-N 3.15Å; K81-A85 VanDerWaalsContact O-CB 3.29Å; K81-A85 WeakPolarHBondContact O-CB 3.48Å; K81-A85 PolarHBondContact O-N 3.41Å
82	F	92	Very high	91.6	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.009	32%	0.317	C	S	.	.	H	α-helix	trans	-58.9	-49.7	174.8	174.2	-106.7	0	0	0	112.4	I70 I77 P78 A79 T84 A85 L86 M102 L105 F122 V126 L133 F137	I70-F82 HydrophobicContact CD1-CD2 3.7Å; I70-F82 HydrophobicContact CD1-CE2 4Å; I77-F82 HydrophobicContact CG2-CB 4.18Å; P78-F82 PolarHBondContact O-N 3.45Å; A79-F82 PolarHBondContact O-N 2.84Å; F82-T84 VanDerWaalsContact C-N 3.34Å; F82-T84 PolarHBondContact O-N 3.47Å; F82-A85 PolarHBondContact O-N 3.36Å; F82-L86 WeakPolarHBondContact O-CB 3.41Å; F82-L86 PolarHBondContact O-N 3.27Å; F82-M102 HydrophobicContact CE1-CE 4.47Å; F82-L105 HydrophobicContact CD1-CD2 4.15Å; F82-L105 HydrophobicContact CE1-CD2 4.4Å; F82-F122 AromaticContact CD2-CE2 3.66Å; F82-F122 HydrophobicContact CD2-CE2 3.66Å; F82-F122 HydrophobicContact CD2-CZ 4.29Å; F82-F122 AromaticContact CE2-CE2 3.79Å; F82-F122 HydrophobicContact CE2-CE2 3.79Å; F82-F122 HydrophobicContact CE2-CZ 4.09Å; F82-F122 HydrophobicContact CG-CE2 4.39Å; F82-V126 HydrophobicContact CE2-CG1 4.47Å; F82-V126 HydrophobicContact CZ-CG1 4.3Å; F82-L133 HydrophobicContact CZ-CD2 4.27Å; F82-F137 HydrophobicContact CD2-CZ 4.4Å; F82-F137 HydrophobicContact CE2-CE2 4.09Å; F82-F137 HydrophobicContact CE2-CZ 4.14Å
83	T	91.9	Very high	91.9	Very high	33 Å²	33	55 Å²	55	20%	0.202	30%	0.302	C	S	.	.	H	α-helix	trans	-68	-33	-178.8	50.7	0	0	0	0	112.7	A79 H80 K87 L105	A79-T83 WeakPolarHBondContact O-CG2 3.23Å; A79-T83 PolarHBondContact O-N 3.04Å; A79-T83 PolarHBondContact O-OG1 3.04Å; H80-T83 WeakPolarHBondContact CA-OG1 3.41Å; H80-T83 PolarHBondContact O-OG1 2.94Å; H80-T83 VanDerWaalsContact O-OG1 3.11Å; T83-K87 VanDerWaalsContact O-CG 3.32Å; T83-K87 WeakPolarHBondContact O-CG 3.46Å; T83-K87 PolarHBondContact O-N 2.76Å; T83-L105 HydrophobicContact CG2-CD2 4.02Å
84	T	93	Very high	92.3	Very high	89 Å²	89	54.4 Å²	54.4	55%	0.546	30%	0.296	S	S	.	.	H	α-helix	trans	-68.3	-46.2	173.6	-57.5	0	0	0	0	111.1	H80 K81 F82 L86 K87 S88	H80-T84 VanDerWaalsContact O-CB 3.27Å; H80-T84 WeakPolarHBondContact O-CB 3.38Å; H80-T84 PolarHBondContact O-N 3.26Å; H80-T84 PolarHBondContact O-OG1 3.02Å; K81-T84 PolarHBondContact O-N 3.15Å; F82-T84 VanDerWaalsContact C-N 3.34Å; F82-T84 PolarHBondContact O-N 3.47Å; T84-L86 VanDerWaalsContact C-N 3.3Å; T84-L86 PolarHBondContact O-N 2.81Å; T84-K87 PolarHBondContact O-N 3.5Å; T84-K87 VanDerWaalsContact O-N 3.17Å; T84-S88 PolarHBondContact O-N 3.3Å
85	A	92.8	Very high	92.7	Very high	27 Å²	27	49.8 Å²	49.8	22%	0.223	28%	0.275	C	S	.	.	H	α-helix	trans	-64.7	-35	177.1	0	0	0	0	0	112	K81 F82 S88 T89 F137	K81-A85 VanDerWaalsContact O-CB 3.29Å; K81-A85 WeakPolarHBondContact O-CB 3.48Å; K81-A85 PolarHBondContact O-N 3.41Å; F82-A85 PolarHBondContact O-N 3.36Å; A85-S88 WeakPolarHBondContact CA-OG 3.42Å; A85-S88 PolarHBondContact O-N 2.71Å; A85-S88 PolarHBondContact O-OG 2.92Å; A85-T89 WeakPolarHBondContact O-CG2 3.47Å; A85-T89 PolarHBondContact O-N 3.19Å; A85-F137 HydrophobicContact CB-CE1 3.77Å; A85-F137 HydrophobicContact CB-CZ 4.33Å
86	L	94.4	Very high	93.1	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.4	-46.8	171.6	-179.2	68.8	0	0	0	111.2	F82 T84 S88 T89 L91 L98 M102 L133 F137	F82-L86 WeakPolarHBondContact O-CB 3.41Å; F82-L86 PolarHBondContact O-N 3.27Å; T84-L86 VanDerWaalsContact C-N 3.3Å; T84-L86 PolarHBondContact O-N 2.81Å; L86-S88 VanDerWaalsContact C-N 3.29Å; L86-S88 PolarHBondContact O-N 2.9Å; L86-T89 WeakPolarHBondContact O-CB 3.36Å; L86-T89 PolarHBondContact O-N 2.93Å; L86-T89 VanDerWaalsContact O-N 3.09Å; L86-T89 PolarHBondContact O-OG1 2.95Å; L86-L91 HydrophobicContact CD1-CB 4.11Å; L86-L91 HydrophobicContact CD1-CD1 3.94Å; L86-L91 HydrophobicContact CG-CB 4.35Å; L86-L98 HydrophobicContact CD1-CD1 4.17Å; L86-L98 HydrophobicContact CD2-CD1 3.82Å; L86-L98 HydrophobicContact CG-CD1 4.48Å; L86-M102 HydrophobicContact CD2-CE 3.16Å; L86-L133 HydrophobicContact CD1-CD2 3.69Å; L86-F137 HydrophobicContact CB-CZ 4.34Å; L86-F137 HydrophobicContact CD1-CE2 4.34Å
87	K	94.1	Very high	93.4	Very high	121 Å²	121	42.3 Å²	42.3	53%	0.526	24%	0.244	S	C	.	.	H	α-helix	trans	-61.8	-34.9	177.7	-74.6	175.6	-176.9	-179.4	0	112.5	T83 T84 T89 G90	T83-K87 VanDerWaalsContact O-CG 3.32Å; T83-K87 WeakPolarHBondContact O-CG 3.46Å; T83-K87 PolarHBondContact O-N 2.76Å; T84-K87 PolarHBondContact O-N 3.5Å; T84-K87 VanDerWaalsContact O-N 3.17Å; K87-T89 PolarHBondContact O-N 2.9Å; K87-G90 WeakPolarHBondContact O-CA 3.48Å; K87-G90 PolarHBondContact O-N 3.34Å
88	S	93.8	Very high	93.6	Very high	62 Å²	62	42.3 Å²	42.3	43%	0.434	24%	0.244	S	C	.	.	H	α-helix	trans	-66.1	-19.8	176.2	58.1	0	0	0	0	113.8	T84 A85 L86 G90	T84-S88 PolarHBondContact O-N 3.3Å; A85-S88 WeakPolarHBondContact CA-OG 3.42Å; A85-S88 PolarHBondContact O-N 2.71Å; A85-S88 PolarHBondContact O-OG 2.92Å; L86-S88 VanDerWaalsContact C-N 3.29Å; L86-S88 PolarHBondContact O-N 2.9Å; S88-G90 PolarHBondContact O-N 3.36Å
89	T	95.4	Very high	93.8	Very high	15 Å²	15	46.1 Å²	46.1	9%	0.092	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-10.7	170.2	72.5	0	0	0	0	112.8	A85 L86 K87 L91 A136 F137 Q193	A85-T89 WeakPolarHBondContact O-CG2 3.47Å; A85-T89 PolarHBondContact O-N 3.19Å; L86-T89 WeakPolarHBondContact O-CB 3.36Å; L86-T89 PolarHBondContact O-N 2.93Å; L86-T89 VanDerWaalsContact O-N 3.09Å; L86-T89 PolarHBondContact O-OG1 2.95Å; K87-T89 PolarHBondContact O-N 2.9Å; T89-L91 PolarHBondContact OG1-N 3.41Å; T89-A136 HydrophobicContact CG2-CB 4Å; T89-F137 HydrophobicContact CG2-CD1 4.5Å; T89-Q193 WeakPolarHBondContact O-CG 3.38Å; T89-Q193 PolarHBondContact O-NE2 3.26Å
90	G	96.2	Very high	94.1	Very high	5 Å²	5	49.9 Å²	49.9	5%	0.052	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	92	-9.7	-174.4	0	0	0	0	0	114.6	K87 S88 F146 Q193 R194	K87-G90 WeakPolarHBondContact O-CA 3.48Å; K87-G90 PolarHBondContact O-N 3.34Å; S88-G90 PolarHBondContact O-N 3.36Å; G90-F146 VanDerWaalsContact CA-CE1 3.49Å; G90-Q193 CarbonylContact O-C 3.51Å; G90-Q193 WeakPolarHBondContact O-CA 3.12Å; G90-R194 PolarHBondContact O-N 3.1Å
91	L	96.9	Very high	94.3	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	24%	0.244	C	C	.	.			trans	-71.3	142.4	173.4	-68.2	178.5	0	0	0	111.4	L86 T89 L98 L132 A136 F141	L86-L91 HydrophobicContact CD1-CB 4.11Å; L86-L91 HydrophobicContact CD1-CD1 3.94Å; L86-L91 HydrophobicContact CG-CB 4.35Å; T89-L91 PolarHBondContact OG1-N 3.41Å; L91-L98 HydrophobicContact CB-CD1 4.45Å; L91-L98 HydrophobicContact CD1-CD1 4.23Å; L91-L132 HydrophobicContact CD1-CG 4.36Å; L91-A136 HydrophobicContact CD1-CB 3.95Å; L91-F141 HydrophobicContact CD1-CE2 3.89Å; L91-F141 HydrophobicContact CD1-CZ 3.87Å; L91-F141 HydrophobicContact CD2-CE2 4.15Å; L91-F141 HydrophobicContact CD2-CZ 4.25Å; L91-F141 HydrophobicContact CG-CE2 3.83Å; L91-F141 HydrophobicContact CG-CZ 4.18Å
92	R	94.9	Very high	94.4	Very high	64 Å²	64	42.4 Å²	42.4	24%	0.242	24%	0.239	C	C	.	.			trans	-94	148.2	174.4	-66.7	-178.4	174.5	-168.1	-7.6	110.3	G94 D95 R194 T196 E348	R92-G94 PolarHBondContact O-N 2.88Å; R92-D95 VanDerWaalsContact O-CB 3.31Å; R92-D95 WeakPolarHBondContact O-CB 3.45Å; R92-D95 PolarHBondContact O-N 3.24Å; R92-D95 VanDerWaalsContact O-N 3.09Å; R92-R194 HydrophobicContact CG-CB 4.35Å; R92-R194 VanDerWaalsContact NH1-CZ 3.3Å; R92-T196 PolarHBondContact NH2-OG1 3.35Å; R92-T196 VanDerWaalsContact NH2-OG1 3.12Å; R92-E348 IonicContact CZ-OE2 3.04Å; R92-E348 IonicContact NH1-OE2 3.96Å; R92-E348 PolarHBondContact NH1-OE2 3.3Å; R92-E348 IonicContact NH2-OE2 2.73Å
93	T	93	Very high	94.5	Very high	63 Å²	63	46.9 Å²	46.9	39%	0.387	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-16	175.6	52.2	0	0	0	0	113.5	M102	T93-M102 HydrophobicContact CG2-CE 4.14Å; T93-M102 HydrophobicContact CG2-SD 4.33Å
94	G	92.6	Very high	94.5	Very high	66 Å²	66	48 Å²	48	68%	0.68	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	7.4	174.4	0	0	0	0	0	114.3	R92 P96	R92-G94 PolarHBondContact O-N 2.88Å; G94-P96 WeakPolarHBondContact O-CD 3.48Å
95	D	95.3	Very high	94.4	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.043	24%	0.24	C	C	.	.			trans	-61	123.2	177.1	-168.7	-52.8	0	0	0	110.2	R92 R97 L98	R92-D95 VanDerWaalsContact O-CB 3.31Å; R92-D95 WeakPolarHBondContact O-CB 3.45Å; R92-D95 PolarHBondContact O-N 3.24Å; R92-D95 VanDerWaalsContact O-N 3.09Å; D95-R97 PolarHBondContact O-N 3.1Å; D95-R97 VanDerWaalsContact O-N 3.15Å; D95-R97 VanDerWaalsContact OD1-CB 3.26Å; D95-R97 WeakPolarHBondContact OD1-CB 3.46Å; D95-R97 IonicContact OD1-CZ 2.79Å; D95-R97 PolarHBondContact OD1-N 2.82Å; D95-R97 IonicContact OD1-NE 3.19Å; D95-R97 PolarHBondContact OD1-NE 3.05Å; D95-R97 IonicContact OD1-NH2 2.75Å; D95-R97 IonicContact OD2-CZ 3.26Å; D95-R97 IonicContact OD2-NE 2.77Å; D95-R97 PolarHBondContact OD2-NE 2.9Å; D95-R97 IonicContact OD2-NH2 3.2Å; D95-R97 PolarHBondContact OD2-NH2 3.42Å; D95-L98 HydrophobicContact CB-CB 4.35Å; D95-L98 HydrophobicContact CB-CD1 4.13Å; D95-L98 HydrophobicContact CB-CG 4.14Å; D95-L98 PolarHBondContact O-N 3.44Å
96	P	96	Very high	94.3	Very high	56 Å²	56	49.5 Å²	49.5	36%	0.364	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-54	-32.5	178.8	-28	35.1	0	0	0	113.9	G94 L98 K99 I365 T366	G94-P96 WeakPolarHBondContact O-CD 3.48Å; P96-L98 PolarHBondContact O-N 3.5Å; P96-K99 VanDerWaalsContact O-CB 3.32Å; P96-K99 WeakPolarHBondContact O-CB 3.24Å; P96-K99 PolarHBondContact O-N 3.06Å; P96-I365 WeakPolarHBondContact CD-O 3.46Å; P96-T366 HydrophobicContact CB-CG2 4.43Å; P96-T366 HydrophobicContact CG-CG2 4.29Å
97	R	96.4	Very high	94.1	Very high	55 Å²	55	53.6 Å²	53.6	21%	0.208	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-74.5	-6.3	178.5	-58	165.3	-57.7	162.1	6.6	113.5	D95 N129 L132 D191 P364 I365	D95-R97 PolarHBondContact O-N 3.1Å; D95-R97 VanDerWaalsContact O-N 3.15Å; D95-R97 VanDerWaalsContact OD1-CB 3.26Å; D95-R97 WeakPolarHBondContact OD1-CB 3.46Å; D95-R97 IonicContact OD1-CZ 2.79Å; D95-R97 PolarHBondContact OD1-N 2.82Å; D95-R97 IonicContact OD1-NE 3.19Å; D95-R97 PolarHBondContact OD1-NE 3.05Å; D95-R97 IonicContact OD1-NH2 2.75Å; D95-R97 IonicContact OD2-CZ 3.26Å; D95-R97 IonicContact OD2-NE 2.77Å; D95-R97 PolarHBondContact OD2-NE 2.9Å; D95-R97 IonicContact OD2-NH2 3.2Å; D95-R97 PolarHBondContact OD2-NH2 3.42Å; R97-N129 PolarHBondContact O-ND2 3.18Å; R97-L132 HydrophobicContact CB-CD2 3.72Å; R97-D191 PolarHBondContact NH1-O 3.37Å; R97-D191 PolarHBondContact NH2-O 3.38Å; R97-P364 PolarHBondContact NE-O 3.33Å; R97-P364 PolarHBondContact NH1-O 3.45Å; R97-P364 PolarHBondContact NH2-O 2.97Å; R97-I365 WeakPolarHBondContact CG-O 3.49Å
98	L	96.2	Very high	93.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-111.1	6.9	176	-63	-178.2	0	0	0	112.5	L86 L91 D95 P96 E100 C101 M102 N129 L132 L133	L86-L98 HydrophobicContact CD1-CD1 4.17Å; L86-L98 HydrophobicContact CD2-CD1 3.82Å; L86-L98 HydrophobicContact CG-CD1 4.48Å; L91-L98 HydrophobicContact CB-CD1 4.45Å; L91-L98 HydrophobicContact CD1-CD1 4.23Å; D95-L98 HydrophobicContact CB-CB 4.35Å; D95-L98 HydrophobicContact CB-CD1 4.13Å; D95-L98 HydrophobicContact CB-CG 4.14Å; D95-L98 PolarHBondContact O-N 3.44Å; P96-L98 PolarHBondContact O-N 3.5Å; L98-E100 PolarHBondContact O-N 3.14Å; L98-C101 PolarHBondContact O-N 2.98Å; L98-M102 HydrophobicContact CB-CG 4.38Å; L98-M102 HydrophobicContact CD1-CE 4.4Å; L98-M102 WeakPolarHBondContact O-CG 3.32Å; L98-M102 PolarHBondContact O-N 3.47Å; L98-N129 HydrophobicContact CD2-CB 4.15Å; L98-L132 HydrophobicContact CD2-CD2 3.82Å; L98-L132 HydrophobicContact CD2-CG 4.5Å; L98-L132 HydrophobicContact CG-CD2 4.22Å; L98-L133 HydrophobicContact CD2-CD2 4.01Å; L98-L133 HydrophobicContact CD2-CG 4.2Å
99	K	94.9	Very high	93.3	Very high	116 Å²	116	48.2 Å²	48.2	50%	0.504	26%	0.255	S	S	.	.	H	α-helix	trans	-55.5	-50.5	-173.7	-177.9	-179.6	174.4	-175.2	0	112.1	P96 C101 M102 E103	P96-K99 VanDerWaalsContact O-CB 3.32Å; P96-K99 WeakPolarHBondContact O-CB 3.24Å; P96-K99 PolarHBondContact O-N 3.06Å; K99-C101 PolarHBondContact O-N 2.94Å; K99-M102 PolarHBondContact O-N 3.45Å; K99-E103 WeakPolarHBondContact CE-OE1 3.31Å; K99-E103 HydrophobicContact CG-CG 4.4Å; K99-E103 WeakPolarHBondContact O-CB 3.34Å; K99-E103 WeakPolarHBondContact O-CG 3.02Å; K99-E103 PolarHBondContact O-N 3.06Å
100	E	94.6	Very high	92.9	Very high	87 Å²	87	56.3 Å²	56.3	41%	0.407	29%	0.289	S	S	.	.	H	α-helix	trans	-62.3	-45.5	-178.6	-60.4	75.8	-164.2	0	0	111	L98 M102 E103 M104 N129	L98-E100 PolarHBondContact O-N 3.14Å; E100-M102 VanDerWaalsContact C-N 3.33Å; E100-M102 PolarHBondContact O-N 3.36Å; E100-E103 PolarHBondContact O-N 3.19Å; E100-M104 VanDerWaalsContact O-CB 3.31Å; E100-M104 WeakPolarHBondContact O-CB 3.18Å; E100-M104 VanDerWaalsContact O-CG 3.26Å; E100-M104 WeakPolarHBondContact O-CG 3.49Å; E100-M104 PolarHBondContact O-N 3.41Å; E100-N129 PolarHBondContact OE2-ND2 3.04Å
101	C	94.1	Very high	92.2	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-58.1	-44.2	176	179.5	0	0	0	0	112	L98 K99 L105 C125 N129	L98-C101 PolarHBondContact O-N 2.98Å; K99-C101 PolarHBondContact O-N 2.94Å; C101-L105 WeakPolarHBondContact O-CB 3.48Å; C101-L105 PolarHBondContact O-N 2.82Å; C101-C125 WeakPolarHBondContact CA-O 3.33Å; C101-N129 HydrophobicContact CB-CB 4.35Å; C101-N129 VanDerWaalsContact CB-OD1 3.23Å; C101-N129 WeakPolarHBondContact CB-OD1 3.41Å; C101-N129 PolarHBondContact N-OD1 2.91Å
102	M	94.1	Very high	91.4	Very high	19 Å²	19	62.8 Å²	62.8	9%	0.094	33%	0.327	C	S	.	.	H	α-helix	trans	-73.3	-36	-178	-68.2	-64.5	161.6	0	0	112.6	F82 L86 T93 L98 K99 E100 L105 K106	F82-M102 HydrophobicContact CE1-CE 4.47Å; L86-M102 HydrophobicContact CD2-CE 3.16Å; T93-M102 HydrophobicContact CG2-CE 4.14Å; T93-M102 HydrophobicContact CG2-SD 4.33Å; L98-M102 HydrophobicContact CB-CG 4.38Å; L98-M102 HydrophobicContact CD1-CE 4.4Å; L98-M102 WeakPolarHBondContact O-CG 3.32Å; L98-M102 PolarHBondContact O-N 3.47Å; K99-M102 PolarHBondContact O-N 3.45Å; E100-M102 VanDerWaalsContact C-N 3.33Å; E100-M102 PolarHBondContact O-N 3.36Å; M102-L105 HydrophobicContact SD-CD2 4.3Å; M102-K106 VanDerWaalsContact O-CG 3.28Å; M102-K106 WeakPolarHBondContact O-CG 3.46Å; M102-K106 PolarHBondContact O-N 3.49Å
103	E	93.7	Very high	90.4	Very high	97 Å²	97	65.9 Å²	65.9	45%	0.453	36%	0.359	S	S	.	.	H	α-helix	trans	-66.2	-46.5	173.6	-74.3	177.1	175.3	0	0	111.1	K99 E100 L105 K106 V107	K99-E103 WeakPolarHBondContact CE-OE1 3.31Å; K99-E103 HydrophobicContact CG-CG 4.4Å; K99-E103 WeakPolarHBondContact O-CB 3.34Å; K99-E103 WeakPolarHBondContact O-CG 3.02Å; K99-E103 PolarHBondContact O-N 3.06Å; E100-E103 PolarHBondContact O-N 3.19Å; E103-L105 VanDerWaalsContact C-N 3.32Å; E103-L105 PolarHBondContact O-N 3.01Å; E103-K106 WeakPolarHBondContact O-CB 3.2Å; E103-K106 PolarHBondContact O-N 3.25Å; E103-V107 WeakPolarHBondContact O-CG2 3.37Å; E103-V107 PolarHBondContact O-N 2.94Å
104	M	91.6	Very high	89.7	Confident	57 Å²	57	66.8 Å²	66.8	28%	0.281	36%	0.362	S	S	.	.	H	α-helix	trans	-63.5	-37.9	176.2	-72.5	-55.6	-56.2	0	0	112.4	E100 V107 T108 K124	E100-M104 VanDerWaalsContact O-CB 3.31Å; E100-M104 WeakPolarHBondContact O-CB 3.18Å; E100-M104 VanDerWaalsContact O-CG 3.26Å; E100-M104 WeakPolarHBondContact O-CG 3.49Å; E100-M104 PolarHBondContact O-N 3.41Å; M104-V107 PolarHBondContact O-N 3.28Å; M104-T108 WeakPolarHBondContact O-CB 3.5Å; M104-T108 PolarHBondContact O-N 3.5Å; M104-T108 PolarHBondContact O-OG1 2.92Å; M104-K124 HydrophobicContact CE-CD 4.24Å; M104-K124 HydrophobicContact CE-CG 4.18Å
105	L	90.8	Very high	89.1	Confident	8 Å²	8	65 Å²	65	4%	0.042	34%	0.343	C	S	.	.	H	α-helix	trans	-61.8	-45.4	173.8	-176.9	65	0	0	0	111.2	A79 F82 T83 C101 M102 E103 V107 T108 L109 L117	A79-L105 HydrophobicContact CB-CD1 4.12Å; F82-L105 HydrophobicContact CD1-CD2 4.15Å; F82-L105 HydrophobicContact CE1-CD2 4.4Å; T83-L105 HydrophobicContact CG2-CD2 4.02Å; C101-L105 WeakPolarHBondContact O-CB 3.48Å; C101-L105 PolarHBondContact O-N 2.82Å; M102-L105 HydrophobicContact SD-CD2 4.3Å; E103-L105 VanDerWaalsContact C-N 3.32Å; E103-L105 PolarHBondContact O-N 3.01Å; L105-V107 PolarHBondContact O-N 3.35Å; L105-T108 PolarHBondContact O-N 3.11Å; L105-L109 HydrophobicContact CD1-CD1 4.34Å; L105-L109 HydrophobicContact CD1-CG 4.46Å; L105-L109 HydrophobicContact CG-CD1 4.04Å; L105-L109 WeakPolarHBondContact O-CB 3.34Å; L105-L109 VanDerWaalsContact O-CG 3.27Å; L105-L109 WeakPolarHBondContact O-CG 3.37Å; L105-L109 PolarHBondContact O-N 3.5Å; L105-L117 HydrophobicContact CD1-CD1 3.6Å; L105-L117 HydrophobicContact CD1-CD2 4.05Å; L105-L117 HydrophobicContact CD1-CG 4.34Å
106	K	90.6	Very high	88.7	Confident	139 Å²	139	65.2 Å²	65.2	60%	0.604	35%	0.346	S	S	*	.	H	α-helix	trans	-62.2	-41.9	176.6	-74.3	170.8	-175.9	176.4	0	112.5	M102 E103 K110	M102-K106 VanDerWaalsContact O-CG 3.28Å; M102-K106 WeakPolarHBondContact O-CG 3.46Å; M102-K106 PolarHBondContact O-N 3.49Å; E103-K106 WeakPolarHBondContact O-CB 3.2Å; E103-K106 PolarHBondContact O-N 3.25Å; K106-K110 WeakPolarHBondContact O-CG 3.44Å; K106-K110 PolarHBondContact O-N 2.81Å
107	V	90.2	Very high	88.4	Confident	85 Å²	85	62.6 Å²	62.6	52%	0.515	33%	0.329	S	S	.	.	H	α-helix	trans	-63.3	-46.3	176.8	171.8	0	0	0	0	110.3	E103 M104 L105 L109 K110 T111	E103-V107 WeakPolarHBondContact O-CG2 3.37Å; E103-V107 PolarHBondContact O-N 2.94Å; M104-V107 PolarHBondContact O-N 3.28Å; L105-V107 PolarHBondContact O-N 3.35Å; V107-L109 PolarHBondContact O-N 3.06Å; V107-K110 PolarHBondContact O-N 3.09Å; V107-T111 PolarHBondContact O-N 3.02Å
108	T	86.3	Confident	88.1	Confident	7 Å²	7	63 Å²	63	4%	0.043	34%	0.335	C	S	.	.	H	α-helix	trans	-64	-40.4	-179.4	-55.2	0	0	0	0	111.8	M104 L105 K110 T111 T112 L117 L121	M104-T108 WeakPolarHBondContact O-CB 3.5Å; M104-T108 PolarHBondContact O-N 3.5Å; M104-T108 PolarHBondContact O-OG1 2.92Å; L105-T108 PolarHBondContact O-N 3.11Å; T108-K110 VanDerWaalsContact C-N 3.25Å; T108-K110 PolarHBondContact O-N 2.71Å; T108-T111 WeakPolarHBondContact CA-OG1 3.32Å; T108-T111 PolarHBondContact O-N 3.29Å; T108-T111 PolarHBondContact O-OG1 2.98Å; T108-T112 PolarHBondContact O-N 3.41Å; T108-T112 VanDerWaalsContact O-N 3.11Å; T108-T112 PolarHBondContact O-OG1 3.1Å; T108-L117 HydrophobicContact CG2-CD2 3.78Å; T108-L121 HydrophobicContact CG2-CB 4.12Å; T108-L121 HydrophobicContact CG2-CD1 4Å; T108-L121 HydrophobicContact CG2-CD2 3.97Å; T108-L121 HydrophobicContact CG2-CG 4.25Å
109	L	86	Confident	87.8	Confident	63 Å²	63	69.1 Å²	69.1	33%	0.33	36%	0.358	S	S	.	.	H	α-helix	trans	-65.8	-24.3	177.6	-75.8	171.1	0	0	0	114.1	A79 L105 V107 T111	A79-L109 HydrophobicContact CB-CD1 3.88Å; A79-L109 HydrophobicContact CB-CD2 3.65Å; A79-L109 HydrophobicContact CB-CG 4.19Å; L105-L109 HydrophobicContact CD1-CD1 4.34Å; L105-L109 HydrophobicContact CD1-CG 4.46Å; L105-L109 HydrophobicContact CG-CD1 4.04Å; L105-L109 WeakPolarHBondContact O-CB 3.34Å; L105-L109 VanDerWaalsContact O-CG 3.27Å; L105-L109 WeakPolarHBondContact O-CG 3.37Å; L105-L109 PolarHBondContact O-N 3.5Å; V107-L109 PolarHBondContact O-N 3.06Å; L109-T111 VanDerWaalsContact C-N 3.34Å
110	K	86.3	Confident	87.5	Confident	185 Å²	185	70.3 Å²	70.3	80%	0.804	37%	0.365	S	S	*	.	H	α-helix	trans	-75.2	-26	172.4	-70.6	177.5	179.4	-175.6	0	112.5	K106 V107 T108	K106-K110 WeakPolarHBondContact O-CG 3.44Å; K106-K110 PolarHBondContact O-N 2.81Å; V107-K110 PolarHBondContact O-N 3.09Å; T108-K110 VanDerWaalsContact C-N 3.25Å; T108-K110 PolarHBondContact O-N 2.71Å
111	T	82.3	Confident	87.3	Confident	109 Å²	109	68 Å²	68	67%	0.669	36%	0.356	S	S	*	.	H	α-helix	trans	-91.4	-19.4	-177.7	50.3	0	0	0	0	113.6	V107 T108 L109	V107-T111 PolarHBondContact O-N 3.02Å; T108-T111 WeakPolarHBondContact CA-OG1 3.32Å; T108-T111 PolarHBondContact O-N 3.29Å; T108-T111 PolarHBondContact O-OG1 2.98Å; L109-T111 VanDerWaalsContact C-N 3.34Å
112	T	80.2	Confident	87.2	Confident	34 Å²	34	68.1 Å²	68.1	21%	0.209	36%	0.356	C	S	.	.			trans	-102.7	127.7	-177	-41.8	0	0	0	0	111.3	T108 D114	T108-T112 PolarHBondContact O-N 3.41Å; T108-T112 VanDerWaalsContact O-N 3.11Å; T108-T112 PolarHBondContact O-OG1 3.1Å; T112-D114 WeakPolarHBondContact CG2-OD1 3.45Å
113	S	73.3	Confident	87.1	Confident	130 Å²	130	70.5 Å²	70.5	91%	0.909	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-25.9	-178.4	52	0	0	0	0	114.5
114	D	78.4	Confident	87	Confident	82 Å²	82	70.7 Å²	70.7	44%	0.439	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-2.9	-176.6	66.3	4	0	0	0	113.8	K76 T112 A116	K76-D114 IonicContact NZ-OD2 2.8Å; K76-D114 PolarHBondContact NZ-OD2 3.39Å; T112-D114 WeakPolarHBondContact CG2-OD1 3.45Å; D114-A116 PolarHBondContact O-N 2.82Å; D114-A116 VanDerWaalsContact O-N 3.14Å; D114-A116 PolarHBondContact OD1-N 3.4Å
115	G	79.8	Confident	87	Confident	28 Å²	28	68.1 Å²	68.1	29%	0.289	35%	0.353	S	S	.	.			trans	63.1	14.2	-178	0	0	0	0	0	114.7	A79	A79-G115 PolarHBondContact N-O 3.21Å
116	A	87.5	Confident	87.1	Confident	13 Å²	13	67.8 Å²	67.8	11%	0.107	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	146.7	-178	0	0	0	0	0	111.6	K76 D114	K76-A116 HydrophobicContact CB-CB 3.96Å; K76-A116 HydrophobicContact CD-CB 3.89Å; D114-A116 PolarHBondContact O-N 2.82Å; D114-A116 VanDerWaalsContact O-N 3.14Å; D114-A116 PolarHBondContact OD1-N 3.4Å
117	L	88.9	Confident	87.2	Confident	1 Å²	1	66 Å²	66	1%	0.005	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	118.7	179.8	-57.3	169.8	0	0	0	108.8	K76 I77 L105 T108 L121 F122	K76-L117 CarbonylContact C-O 3.59Å; K76-L117 WeakPolarHBondContact CA-O 3.31Å; I77-L117 PolarHBondContact N-O 3.45Å; I77-L117 PolarHBondContact O-N 3.04Å; L105-L117 HydrophobicContact CD1-CD1 3.6Å; L105-L117 HydrophobicContact CD1-CD2 4.05Å; L105-L117 HydrophobicContact CD1-CG 4.34Å; T108-L117 HydrophobicContact CG2-CD2 3.78Å; L117-L121 HydrophobicContact CD2-CB 4.46Å; L117-F122 HydrophobicContact CB-CB 4.32Å; L117-F122 HydrophobicContact CD1-CD2 4.14Å
118	D	90.1	Very high	87.3	Confident	62 Å²	62	65.6 Å²	65.6	33%	0.332	35%	0.346	S	S	.	.			trans	-73	172	163.7	70.8	31.1	0	0	0	110.8	H120 L121 F122	D118-H120 VanDerWaalsContact C-N 3.27Å; D118-H120 PolarHBondContact O-N 3.15Å; D118-H120 PolarHBondContact OD1-N 3.41Å; D118-L121 PolarHBondContact O-N 3.03Å; D118-L121 WeakPolarHBondContact OD1-CB 3.38Å; D118-L121 WeakPolarHBondContact OD1-CG 2.99Å; D118-L121 PolarHBondContact OD1-N 2.93Å; D118-F122 VanDerWaalsContact O-CB 3.28Å; D118-F122 WeakPolarHBondContact O-CB 3.31Å; D118-F122 PolarHBondContact O-N 3.2Å
119	R	89.6	Confident	87.6	Confident	129 Å²	129	66 Å²	66	49%	0.487	35%	0.348	S	S	.	.	H	α-helix	trans	-56.9	-38.3	-178.4	-171.7	178.4	68.4	-165	-0.1	113.2	D64 F67 Y68 K123	D64-R119 WeakPolarHBondContact OD1-CD 3.5Å; D64-R119 IonicContact OD1-NE 2.72Å; F67-R119 HydrophobicContact CD1-CB 4.3Å; F67-R119 HydrophobicContact CD1-CG 4.18Å; F67-R119 HydrophobicContact CD2-CB 4.39Å; F67-R119 HydrophobicContact CE1-CB 4.2Å; F67-R119 HydrophobicContact CE2-CB 4.27Å; F67-R119 HydrophobicContact CG-CB 4.41Å; F67-R119 HydrophobicContact CG-CG 4.19Å; F67-R119 HydrophobicContact CZ-CB 4.18Å; Y68-R119 PolarHBondContact OH-NH1 3.46Å; R119-K123 WeakPolarHBondContact O-CB 3.28Å; R119-K123 PolarHBondContact O-N 3.29Å
120	H	89.3	Confident	88	Confident	142 Å²	142	63.9 Å²	63.9	66%	0.657	34%	0.337	S	S	*	.	H	α-helix	trans	-75.2	-44.3	-175.9	-179.6	-87.7	0	0	0	111.5	D118 K123 K124	D118-H120 VanDerWaalsContact C-N 3.27Å; D118-H120 PolarHBondContact O-N 3.15Å; D118-H120 PolarHBondContact OD1-N 3.41Å; H120-K123 PolarHBondContact O-N 3.49Å; H120-K124 PolarHBondContact O-N 2.84Å
121	L	90.1	Very high	88.4	Confident	39 Å²	39	60 Å²	60	20%	0.204	33%	0.328	C	S	.	.	H	α-helix	trans	-63	-42.7	174.6	-69.4	178.2	0	0	0	111.3	T108 L117 D118 K124 C125	T108-L121 HydrophobicContact CG2-CB 4.12Å; T108-L121 HydrophobicContact CG2-CD1 4Å; T108-L121 HydrophobicContact CG2-CD2 3.97Å; T108-L121 HydrophobicContact CG2-CG 4.25Å; L117-L121 HydrophobicContact CD2-CB 4.46Å; D118-L121 PolarHBondContact O-N 3.03Å; D118-L121 WeakPolarHBondContact OD1-CB 3.38Å; D118-L121 WeakPolarHBondContact OD1-CG 2.99Å; D118-L121 PolarHBondContact OD1-N 2.93Å; L121-K124 PolarHBondContact O-N 3.41Å; L121-C125 PolarHBondContact O-N 3.32Å; L121-C125 PolarHBondContact O-SG 3.17Å
122	F	92	Very high	89	Confident	1 Å²	1	55.7 Å²	55.7	0%	0.004	30%	0.301	C	S	.	.	H	α-helix	trans	-58.8	-50.5	174.8	-178.2	-94.5	0	0	0	111.2	L66 F67 I70 I77 F82 L117 D118 K124 C125 V126	L66-F122 HydrophobicContact CB-CE1 4.31Å; L66-F122 HydrophobicContact CD2-CE1 4.19Å; L66-F122 HydrophobicContact CD2-CZ 4.04Å; L66-F122 HydrophobicContact CG-CE1 4.1Å; L66-F122 HydrophobicContact CG-CZ 3.98Å; F67-F122 HydrophobicContact CB-CD1 3.8Å; F67-F122 HydrophobicContact CB-CE1 4.03Å; F67-F122 HydrophobicContact CB-CG 4.5Å; F67-F122 HydrophobicContact CD2-CB 3.68Å; F67-F122 AromaticContact CD2-CD1 3.86Å; F67-F122 HydrophobicContact CD2-CD1 3.86Å; F67-F122 HydrophobicContact CD2-CD2 4.34Å; F67-F122 AromaticContact CD2-CG 3.7Å; F67-F122 HydrophobicContact CD2-CG 3.7Å; F67-F122 HydrophobicContact CE2-CB 4.17Å; F67-F122 HydrophobicContact CG-CD1 4.35Å; I70-F122 HydrophobicContact CD1-CE2 4.33Å; I70-F122 HydrophobicContact CD1-CZ 4.03Å; I77-F122 HydrophobicContact CD1-CD2 4.02Å; I77-F122 HydrophobicContact CD1-CE2 4.1Å; I77-F122 HydrophobicContact CD1-CG 4.48Å; F82-F122 AromaticContact CD2-CE2 3.66Å; F82-F122 HydrophobicContact CD2-CE2 3.66Å; F82-F122 HydrophobicContact CD2-CZ 4.29Å; F82-F122 AromaticContact CE2-CE2 3.79Å; F82-F122 HydrophobicContact CE2-CE2 3.79Å; F82-F122 HydrophobicContact CE2-CZ 4.09Å; F82-F122 HydrophobicContact CG-CE2 4.39Å; L117-F122 HydrophobicContact CB-CB 4.32Å; L117-F122 HydrophobicContact CD1-CD2 4.14Å; D118-F122 VanDerWaalsContact O-CB 3.28Å; D118-F122 WeakPolarHBondContact O-CB 3.31Å; D118-F122 PolarHBondContact O-N 3.2Å; F122-K124 VanDerWaalsContact C-N 3.3Å; F122-K124 PolarHBondContact O-N 3.24Å; F122-C125 WeakPolarHBondContact O-CB 3.27Å; F122-C125 PolarHBondContact O-N 3.14Å; F122-V126 HydrophobicContact CD1-CG1 4.34Å; F122-V126 HydrophobicContact CD1-CG2 4.05Å; F122-V126 HydrophobicContact CD2-CG1 4.42Å; F122-V126 HydrophobicContact CE1-CB 4.47Å; F122-V126 HydrophobicContact CE1-CG1 3.88Å; F122-V126 HydrophobicContact CE1-CG2 3.8Å; F122-V126 HydrophobicContact CE2-CG1 3.97Å; F122-V126 HydrophobicContact CZ-CG1 3.68Å; F122-V126 HydrophobicContact CZ-CG2 4.43Å; F122-V126 WeakPolarHBondContact O-CG2 3.41Å; F122-V126 PolarHBondContact O-N 2.96Å
123	K	92.3	Very high	89.7	Confident	69 Å²	69	54.1 Å²	54.1	30%	0.3	29%	0.291	S	S	.	.	H	α-helix	trans	-55.2	-45.3	177	179.3	165	-176.2	159.3	0	112	S61 E63 R119 H120 C125 V126 Q127	S61-K123 PolarHBondContact OG-NZ 2.88Å; E63-K123 HydrophobicContact CB-CB 4.25Å; E63-K123 HydrophobicContact CB-CD 4.2Å; E63-K123 HydrophobicContact CB-CG 3.85Å; E63-K123 HydrophobicContact CG-CG 4.05Å; E63-K123 IonicContact OE2-NZ 3.05Å; R119-K123 WeakPolarHBondContact O-CB 3.28Å; R119-K123 PolarHBondContact O-N 3.29Å; H120-K123 PolarHBondContact O-N 3.49Å; K123-C125 VanDerWaalsContact C-N 3.26Å; K123-C125 PolarHBondContact O-N 3.44Å; K123-V126 PolarHBondContact O-N 3.33Å; K123-Q127 WeakPolarHBondContact O-CB 3.49Å; K123-Q127 PolarHBondContact O-N 2.91Å
124	K	90.8	Very high	90.6	Very high	101 Å²	101	48.9 Å²	48.9	44%	0.439	25%	0.254	S	S	.	.	H	α-helix	trans	-60.9	-34	177	-169.2	-179.2	-178.9	-176.3	0	112.7	M104 H120 L121 F122	M104-K124 HydrophobicContact CE-CD 4.24Å; M104-K124 HydrophobicContact CE-CG 4.18Å; H120-K124 PolarHBondContact O-N 2.84Å; L121-K124 PolarHBondContact O-N 3.41Å; F122-K124 VanDerWaalsContact C-N 3.3Å; F122-K124 PolarHBondContact O-N 3.24Å
125	C	91.8	Very high	91.3	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.02	25%	0.25	C	S	.	.	H	α-helix	trans	-73.7	-43.7	177.2	-63.9	0	0	0	0	112.1	C101 L121 F122 K123	C101-C125 WeakPolarHBondContact CA-O 3.33Å; L121-C125 PolarHBondContact O-N 3.32Å; L121-C125 PolarHBondContact O-SG 3.17Å; F122-C125 WeakPolarHBondContact O-CB 3.27Å; F122-C125 PolarHBondContact O-N 3.14Å; K123-C125 VanDerWaalsContact C-N 3.26Å; K123-C125 PolarHBondContact O-N 3.44Å
126	V	93.6	Very high	92	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-90.6	-15.7	-170	-57	0	0	0	0	114.7	E63 F82 F122 K123 S128 N129 I130 L133	E63-V126 HydrophobicContact CB-CG2 4.09Å; E63-V126 HydrophobicContact CG-CG2 4.01Å; F82-V126 HydrophobicContact CE2-CG1 4.47Å; F82-V126 HydrophobicContact CZ-CG1 4.3Å; F122-V126 HydrophobicContact CD1-CG1 4.34Å; F122-V126 HydrophobicContact CD1-CG2 4.05Å; F122-V126 HydrophobicContact CD2-CG1 4.42Å; F122-V126 HydrophobicContact CE1-CB 4.47Å; F122-V126 HydrophobicContact CE1-CG1 3.88Å; F122-V126 HydrophobicContact CE1-CG2 3.8Å; F122-V126 HydrophobicContact CE2-CG1 3.97Å; F122-V126 HydrophobicContact CZ-CG1 3.68Å; F122-V126 HydrophobicContact CZ-CG2 4.43Å; F122-V126 WeakPolarHBondContact O-CG2 3.41Å; F122-V126 PolarHBondContact O-N 2.96Å; K123-V126 PolarHBondContact O-N 3.33Å; V126-S128 VanDerWaalsContact C-N 3.27Å; V126-S128 PolarHBondContact O-N 3.49Å; V126-S128 VanDerWaalsContact O-N 3.12Å; V126-N129 CarbonylContact O-C 3.47Å; V126-N129 PolarHBondContact O-N 3.17Å; V126-I130 HydrophobicContact CG2-CD1 4.21Å; V126-I130 WeakPolarHBondContact O-CA 3.4Å; V126-I130 PolarHBondContact O-N 3.49Å; V126-L133 HydrophobicContact CB-CD1 3.75Å; V126-L133 HydrophobicContact CG1-CD1 3.79Å
127	Q	91.9	Very high	92.3	Very high	102 Å²	102	48.8 Å²	48.8	48%	0.477	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-51.3	-40	-171.6	62.7	-176.3	0.7	0	0	114.4	K123 N129 I130	K123-Q127 WeakPolarHBondContact O-CB 3.49Å; K123-Q127 PolarHBondContact O-N 2.91Å; Q127-N129 VanDerWaalsContact C-N 3.32Å; Q127-N129 PolarHBondContact O-N 3.06Å; Q127-I130 WeakPolarHBondContact O-CG2 3.3Å
128	S	92.3	Very high	92.3	Very high	77 Å²	77	54.8 Å²	54.8	54%	0.538	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-73.9	-24.5	-176.5	-56	0	0	0	0	113.1	V126	V126-S128 VanDerWaalsContact C-N 3.27Å; V126-S128 PolarHBondContact O-N 3.49Å; V126-S128 VanDerWaalsContact O-N 3.12Å
129	N	94.4	Very high	92.4	Very high	15 Å²	15	56.2 Å²	56.2	8%	0.08	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-123.5	17.7	-172.6	-43.4	96.7	0	0	0	111.6	R97 L98 E100 C101 V126 Q127 V131 L132 L133	R97-N129 PolarHBondContact O-ND2 3.18Å; L98-N129 HydrophobicContact CD2-CB 4.15Å; E100-N129 PolarHBondContact OE2-ND2 3.04Å; C101-N129 HydrophobicContact CB-CB 4.35Å; C101-N129 VanDerWaalsContact CB-OD1 3.23Å; C101-N129 WeakPolarHBondContact CB-OD1 3.41Å; C101-N129 PolarHBondContact N-OD1 2.91Å; V126-N129 CarbonylContact O-C 3.47Å; V126-N129 PolarHBondContact O-N 3.17Å; Q127-N129 VanDerWaalsContact C-N 3.32Å; Q127-N129 PolarHBondContact O-N 3.06Å; N129-V131 VanDerWaalsContact C-N 3.29Å; N129-V131 PolarHBondContact O-N 3.02Å; N129-L132 PolarHBondContact O-N 3.2Å; N129-L133 HydrophobicContact CB-CD1 4.41Å; N129-L133 WeakPolarHBondContact O-CG 3.31Å; N129-L133 PolarHBondContact O-N 3.25Å; N129-L133 VanDerWaalsContact O-N 3.13Å
130	I	93.7	Very high	92.5	Very high	18 Å²	18	56.9 Å²	56.9	9%	0.092	27%	0.274	C	S	.	.	H	α-helix	trans	-61.4	-33.3	-171.3	-175.5	57.7	0	0	0	113	L62 E63 L66 V126 Q127 L133 T134	L62-I130 HydrophobicContact CB-CG1 4.19Å; E63-I130 HydrophobicContact CB-CD1 4.43Å; E63-I130 HydrophobicContact CG-CB 4.45Å; E63-I130 HydrophobicContact CG-CD1 3.95Å; E63-I130 HydrophobicContact CG-CG1 3.93Å; L66-I130 HydrophobicContact CB-CD1 4.45Å; L66-I130 HydrophobicContact CD2-CD1 3.81Å; V126-I130 HydrophobicContact CG2-CD1 4.21Å; V126-I130 WeakPolarHBondContact O-CA 3.4Å; V126-I130 PolarHBondContact O-N 3.49Å; Q127-I130 WeakPolarHBondContact O-CG2 3.3Å; I130-L133 PolarHBondContact O-N 3.37Å; I130-T134 WeakPolarHBondContact O-CB 3.17Å; I130-T134 PolarHBondContact O-N 3.44Å; I130-T134 PolarHBondContact O-OG1 3.03Å
131	V	93.6	Very high	92.9	Very high	104 Å²	104	50.5 Å²	50.5	63%	0.63	24%	0.244	S	C	*	.	H	α-helix	trans	-63.9	-49.1	-178.9	179.5	0	0	0	0	110.6	N129 T134 Q135	N129-V131 VanDerWaalsContact C-N 3.29Å; N129-V131 PolarHBondContact O-N 3.02Å; V131-T134 PolarHBondContact O-N 2.96Å; V131-Q135 WeakPolarHBondContact O-CG 3.49Å; V131-Q135 PolarHBondContact O-N 2.97Å; V131-Q135 VanDerWaalsContact O-N 3.08Å
132	L	94.9	Very high	93.2	Very high	19 Å²	19	50 Å²	50	10%	0.099	24%	0.243	C	C	.	.	H	α-helix	trans	-65	-45.3	177.9	178.1	61.8	0	0	0	111.2	L91 R97 L98 N129 T134 Q135 A136 F141	L91-L132 HydrophobicContact CD1-CG 4.36Å; R97-L132 HydrophobicContact CB-CD2 3.72Å; L98-L132 HydrophobicContact CD2-CD2 3.82Å; L98-L132 HydrophobicContact CD2-CG 4.5Å; L98-L132 HydrophobicContact CG-CD2 4.22Å; N129-L132 PolarHBondContact O-N 3.2Å; L132-T134 VanDerWaalsContact C-N 3.31Å; L132-T134 PolarHBondContact O-N 2.91Å; L132-Q135 WeakPolarHBondContact O-CB 3.45Å; L132-Q135 PolarHBondContact O-N 3.34Å; L132-A136 PolarHBondContact O-N 2.89Å; L132-F141 HydrophobicContact CD1-CE1 3.88Å; L132-F141 HydrophobicContact CD1-CZ 3.77Å
133	L	94.7	Very high	93.4	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.6	-40.3	177.9	-68	167	0	0	0	111.3	L66 F82 L86 L98 V126 N129 I130 Q135 A136 F137	L66-L133 HydrophobicContact CD2-CB 3.93Å; F82-L133 HydrophobicContact CZ-CD2 4.27Å; L86-L133 HydrophobicContact CD1-CD2 3.69Å; L98-L133 HydrophobicContact CD2-CD2 4.01Å; L98-L133 HydrophobicContact CD2-CG 4.2Å; V126-L133 HydrophobicContact CB-CD1 3.75Å; V126-L133 HydrophobicContact CG1-CD1 3.79Å; N129-L133 HydrophobicContact CB-CD1 4.41Å; N129-L133 WeakPolarHBondContact O-CG 3.31Å; N129-L133 PolarHBondContact O-N 3.25Å; N129-L133 VanDerWaalsContact O-N 3.13Å; I130-L133 PolarHBondContact O-N 3.37Å; L133-Q135 VanDerWaalsContact C-N 3.31Å; L133-Q135 PolarHBondContact O-N 2.9Å; L133-A136 PolarHBondContact O-N 3.02Å; L133-F137 HydrophobicContact CB-CD2 4.42Å; L133-F137 HydrophobicContact CD2-CE2 4.05Å; L133-F137 VanDerWaalsContact O-CD2 3.25Å; L133-F137 WeakPolarHBondContact O-CD2 3.41Å; L133-F137 PolarHBondContact O-N 3.11Å
134	T	93.1	Very high	93.5	Very high	20 Å²	20	47.7 Å²	47.7	12%	0.123	24%	0.235	C	C	.	.	H	α-helix	trans	-62.3	-39.7	176.3	-61.1	0	0	0	0	111.4	I130 V131 L132 R138	I130-T134 WeakPolarHBondContact O-CB 3.17Å; I130-T134 PolarHBondContact O-N 3.44Å; I130-T134 PolarHBondContact O-OG1 3.03Å; V131-T134 PolarHBondContact O-N 2.96Å; L132-T134 VanDerWaalsContact C-N 3.31Å; L132-T134 PolarHBondContact O-N 2.91Å; T134-R138 HydrophobicContact CG2-CG 4.36Å; T134-R138 WeakPolarHBondContact O-CB 3.1Å; T134-R138 VanDerWaalsContact O-CG 3.27Å; T134-R138 WeakPolarHBondContact O-CG 3.43Å; T134-R138 PolarHBondContact O-N 2.74Å; T134-R138 VanDerWaalsContact O-N 3.13Å
135	Q	93.5	Very high	93.6	Very high	79 Å²	79	45.2 Å²	45.2	37%	0.369	23%	0.226	S	C	.	.	H	α-helix	trans	-64.3	-45.4	174.2	-71.8	172.8	-27.3	0	0	111.5	V131 L132 L133 K139 K140 F141	V131-Q135 WeakPolarHBondContact O-CG 3.49Å; V131-Q135 PolarHBondContact O-N 2.97Å; V131-Q135 VanDerWaalsContact O-N 3.08Å; L132-Q135 WeakPolarHBondContact O-CB 3.45Å; L132-Q135 PolarHBondContact O-N 3.34Å; L133-Q135 VanDerWaalsContact C-N 3.31Å; L133-Q135 PolarHBondContact O-N 2.9Å; Q135-K139 PolarHBondContact O-N 3.21Å; Q135-K140 HydrophobicContact CB-CB 4.31Å; Q135-K140 PolarHBondContact O-N 3.45Å; Q135-F141 HydrophobicContact CB-CD1 4.19Å; Q135-F141 HydrophobicContact CB-CE1 3.77Å
136	A	94.3	Very high	93.8	Very high	5 Å²	5	45.4 Å²	45.4	4%	0.041	23%	0.227	C	C	.	.	H	α-helix	trans	-59.8	-54.3	-179.9	0	0	0	0	0	112.4	T89 L91 L132 L133 R138 K139 F141	T89-A136 HydrophobicContact CG2-CB 4Å; L91-A136 HydrophobicContact CD1-CB 3.95Å; L132-A136 PolarHBondContact O-N 2.89Å; L133-A136 PolarHBondContact O-N 3.02Å; A136-R138 PolarHBondContact O-N 3.3Å; A136-K139 PolarHBondContact O-N 3.33Å; A136-F141 VanDerWaalsContact CA-CE2 3.41Å; A136-F141 HydrophobicContact CB-CD2 4.25Å; A136-F141 HydrophobicContact CB-CE1 4.43Å; A136-F141 HydrophobicContact CB-CE2 3.34Å; A136-F141 HydrophobicContact CB-CZ 3.46Å; A136-F141 VanDerWaalsContact CB-CZ 3.46Å
137	F	92.6	Very high	93.8	Very high	37 Å²	37	50.9 Å²	50.9	16%	0.162	25%	0.252	C	S	.	.	H	α-helix	trans	-76.4	-20.8	-174.9	-75	-77.3	0	0	0	113.8	L66 I70 F82 A85 L86 T89 L133 K139	L66-F137 HydrophobicContact CD1-CB 3.57Å; L66-F137 HydrophobicContact CD1-CD1 4.45Å; L66-F137 HydrophobicContact CD1-CD2 3.51Å; L66-F137 HydrophobicContact CD1-CE2 4.31Å; L66-F137 HydrophobicContact CD1-CG 3.6Å; L66-F137 HydrophobicContact CD2-CD2 4.37Å; L66-F137 HydrophobicContact CG-CD2 4.5Å; I70-F137 HydrophobicContact CD1-CD1 4.17Å; I70-F137 HydrophobicContact CD1-CD2 4.39Å; I70-F137 HydrophobicContact CD1-CE1 3.72Å; I70-F137 HydrophobicContact CD1-CE2 3.97Å; I70-F137 HydrophobicContact CD1-CG 4.49Å; I70-F137 HydrophobicContact CD1-CZ 3.61Å; I70-F137 HydrophobicContact CG1-CD1 4.24Å; I70-F137 HydrophobicContact CG1-CE1 4.04Å; I70-F137 HydrophobicContact CG1-CZ 4.43Å; F82-F137 HydrophobicContact CD2-CZ 4.4Å; F82-F137 HydrophobicContact CE2-CE2 4.09Å; F82-F137 HydrophobicContact CE2-CZ 4.14Å; A85-F137 HydrophobicContact CB-CE1 3.77Å; A85-F137 HydrophobicContact CB-CZ 4.33Å; L86-F137 HydrophobicContact CB-CZ 4.34Å; L86-F137 HydrophobicContact CD1-CE2 4.34Å; T89-F137 HydrophobicContact CG2-CD1 4.5Å; L133-F137 HydrophobicContact CB-CD2 4.42Å; L133-F137 HydrophobicContact CD2-CE2 4.05Å; L133-F137 VanDerWaalsContact O-CD2 3.25Å; L133-F137 WeakPolarHBondContact O-CD2 3.41Å; L133-F137 PolarHBondContact O-N 3.11Å; F137-K139 VanDerWaalsContact C-N 3.26Å
138	R	90.2	Very high	93.8	Very high	127 Å²	127	49.2 Å²	49.2	48%	0.479	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	14.6	172.1	-66.4	-173.7	165.9	-173.9	-6.4	113.3	T134 A136 K140	T134-R138 HydrophobicContact CG2-CG 4.36Å; T134-R138 WeakPolarHBondContact O-CB 3.1Å; T134-R138 VanDerWaalsContact O-CG 3.27Å; T134-R138 WeakPolarHBondContact O-CG 3.43Å; T134-R138 PolarHBondContact O-N 2.74Å; T134-R138 VanDerWaalsContact O-N 3.13Å; A136-R138 PolarHBondContact O-N 3.3Å; R138-K140 HydrophobicContact CB-CG 4.07Å; R138-K140 PolarHBondContact O-N 3.46Å; R138-K140 VanDerWaalsContact O-N 3.13Å
139	K	91.5	Very high	94	Very high	93 Å²	93	45.9 Å²	45.9	40%	0.404	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	33.4	179.5	-61.7	-170.2	174.3	-163.8	0	113.6	Q135 A136 F137 F141 P144 D145 E468	Q135-K139 PolarHBondContact O-N 3.21Å; A136-K139 PolarHBondContact O-N 3.33Å; F137-K139 VanDerWaalsContact C-N 3.26Å; K139-F141 VanDerWaalsContact C-N 3.33Å; K139-P144 HydrophobicContact CB-CB 4.09Å; K139-D145 IonicContact NZ-OD1 2.75Å; K139-D145 PolarHBondContact NZ-OD1 2.87Å; K139-E468 WeakPolarHBondContact CB-OE1 3.08Å; K139-E468 HydrophobicContact CD-CG 4.49Å; K139-E468 WeakPolarHBondContact CD-OE1 3.36Å
140	K	93	Very high	94.1	Very high	143 Å²	143	45.3 Å²	45.3	62%	0.622	23%	0.225	S	C	*	.			trans	-88.8	-0.1	-179.4	-67.6	-166.4	172	-165.9	0	113.8	Q135 R138	Q135-K140 HydrophobicContact CB-CB 4.31Å; Q135-K140 PolarHBondContact O-N 3.45Å; R138-K140 HydrophobicContact CB-CG 4.07Å; R138-K140 PolarHBondContact O-N 3.46Å; R138-K140 VanDerWaalsContact O-N 3.13Å
141	F	96.4	Very high	94.2	Very high	7 Å²	7	47.5 Å²	47.5	3%	0.031	24%	0.239	C	C	.	.	S	Bend	trans	-68.5	156.9	171.2	-67.6	-26.4	0	0	0	111.3	L91 L132 Q135 A136 K139 I143 P144 D191 Q193	L91-F141 HydrophobicContact CD1-CE2 3.89Å; L91-F141 HydrophobicContact CD1-CZ 3.87Å; L91-F141 HydrophobicContact CD2-CE2 4.15Å; L91-F141 HydrophobicContact CD2-CZ 4.25Å; L91-F141 HydrophobicContact CG-CE2 3.83Å; L91-F141 HydrophobicContact CG-CZ 4.18Å; L132-F141 HydrophobicContact CD1-CE1 3.88Å; L132-F141 HydrophobicContact CD1-CZ 3.77Å; Q135-F141 HydrophobicContact CB-CD1 4.19Å; Q135-F141 HydrophobicContact CB-CE1 3.77Å; A136-F141 VanDerWaalsContact CA-CE2 3.41Å; A136-F141 HydrophobicContact CB-CD2 4.25Å; A136-F141 HydrophobicContact CB-CE1 4.43Å; A136-F141 HydrophobicContact CB-CE2 3.34Å; A136-F141 HydrophobicContact CB-CZ 3.46Å; A136-F141 VanDerWaalsContact CB-CZ 3.46Å; K139-F141 VanDerWaalsContact C-N 3.33Å; F141-I143 PolarHBondContact O-N 2.97Å; F141-I143 VanDerWaalsContact O-N 3.11Å; F141-P144 WeakPolarHBondContact O-CD 3.1Å; F141-D191 VanDerWaalsContact CA-OD2 3.26Å; F141-D191 WeakPolarHBondContact CA-OD2 3.44Å; F141-D191 HydrophobicContact CB-CB 4.16Å; F141-D191 WeakPolarHBondContact CB-OD2 2.89Å; F141-D191 HydrophobicContact CD1-CB 3.45Å; F141-D191 VanDerWaalsContact CD1-CB 3.45Å; F141-D191 HydrophobicContact CE1-CB 3.86Å; F141-D191 HydrophobicContact CG-CB 3.81Å; F141-Q193 HydrophobicContact CB-CG 4.41Å; F141-Q193 HydrophobicContact CD2-CG 3.6Å; F141-Q193 HydrophobicContact CE2-CG 4.12Å; F141-Q193 HydrophobicContact CG-CG 4.24Å
142	V	96.6	Very high	94.4	Very high	29 Å²	29	45.3 Å²	45.3	18%	0.176	22%	0.222	C	C	.	.	S	Bend	trans	-56.6	-26.7	-179	69.6	0	0	0	0	112.3	T189 V190 D191 V418 R466	V142-T189 HydrophobicContact CG1-CG2 4.37Å; V142-V190 HydrophobicContact CB-CG2 4.26Å; V142-V190 HydrophobicContact CG1-CG2 3.98Å; V142-D191 WeakPolarHBondContact CB-OD2 3.4Å; V142-D191 WeakPolarHBondContact CG1-OD2 3.32Å; V142-D191 PolarHBondContact N-OD2 2.94Å; V142-V418 HydrophobicContact CG2-CB 4.47Å; V142-V418 HydrophobicContact CG2-CG1 4.31Å; V142-V418 HydrophobicContact CG2-CG2 4.41Å; V142-R466 HydrophobicContact CG2-CG 4.25Å; V142-R466 VanDerWaalsContact O-CA 3.24Å; V142-R466 WeakPolarHBondContact O-CA 3.47Å
143	I	96.3	Very high	94.5	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	22%	0.217	C	C	.	.	S	Bend	trans	-119.8	96.7	167.3	-60.4	178.7	0	0	0	108.2	F141 F146 F149 T189 Q193 V418 M419 P465	F141-I143 PolarHBondContact O-N 2.97Å; F141-I143 VanDerWaalsContact O-N 3.11Å; I143-F146 HydrophobicContact CB-CD2 4.26Å; I143-F146 HydrophobicContact CG2-CB 4.44Å; I143-F146 HydrophobicContact CG2-CD2 4.1Å; I143-F149 HydrophobicContact CD1-CD1 3.71Å; I143-F149 HydrophobicContact CD1-CE1 3.62Å; I143-F149 HydrophobicContact CD1-CG 4.29Å; I143-F149 HydrophobicContact CD1-CZ 4.14Å; I143-F149 HydrophobicContact CG2-CB 3.94Å; I143-F149 HydrophobicContact CG2-CD1 4.16Å; I143-F149 HydrophobicContact CG2-CG 4.1Å; I143-T189 HydrophobicContact CD1-CG2 3.93Å; I143-T189 HydrophobicContact CG1-CG2 4.44Å; I143-Q193 PolarHBondContact O-NE2 3.4Å; I143-Q193 PolarHBondContact O-OE1 3.43Å; I143-V418 HydrophobicContact CD1-CG1 4.31Å; I143-V418 HydrophobicContact CG1-CG1 4.46Å; I143-M419 HydrophobicContact CD1-SD 4.41Å; I143-P465 HydrophobicContact CD1-CB 4.37Å; I143-P465 HydrophobicContact CG1-CB 4.26Å; I143-P465 HydrophobicContact CG2-CB 4.17Å
144	P	93.8	Very high	94.7	Very high	20 Å²	20	46.7 Å²	46.7	13%	0.13	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-52.2	-179.8	-31.2	39.7	0	0	0	113.8	K139 F141 F146 P465 E468	K139-P144 HydrophobicContact CB-CB 4.09Å; F141-P144 WeakPolarHBondContact O-CD 3.1Å; P144-F146 PolarHBondContact O-N 3.32Å; P144-P465 WeakPolarHBondContact CD-O 3.38Å; P144-E468 HydrophobicContact CB-CG 3.58Å; P144-E468 HydrophobicContact CG-CG 4.09Å
145	D	93.3	Very high	94.9	Very high	50 Å²	50	49.8 Å²	49.8	27%	0.267	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	60.9	-174.6	-64.4	-41.3	0	0	0	111.2	K139 Q147 S148 F149 E468 G469	K139-D145 IonicContact NZ-OD1 2.75Å; K139-D145 PolarHBondContact NZ-OD1 2.87Å; D145-Q147 VanDerWaalsContact C-N 3.33Å; D145-Q147 PolarHBondContact O-N 3.38Å; D145-S148 PolarHBondContact O-N 2.91Å; D145-F149 PolarHBondContact O-N 2.91Å; D145-F149 VanDerWaalsContact O-N 3.16Å; D145-E468 WeakPolarHBondContact OD2-CA 3.04Å; D145-G469 PolarHBondContact OD2-N 3.24Å
146	F	95.7	Very high	95.2	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-61	-34	-170.5	-168.3	-102.7	0	0	0	114.8	G90 I143 P144 F149 S150 L187 T189 Q193 H195	G90-F146 VanDerWaalsContact CA-CE1 3.49Å; I143-F146 HydrophobicContact CB-CD2 4.26Å; I143-F146 HydrophobicContact CG2-CB 4.44Å; I143-F146 HydrophobicContact CG2-CD2 4.1Å; P144-F146 PolarHBondContact O-N 3.32Å; F146-F149 HydrophobicContact CD2-CD1 4.4Å; F146-F149 HydrophobicContact CE2-CD1 4.41Å; F146-F149 PolarHBondContact O-N 3.11Å; F146-S150 WeakPolarHBondContact CE1-OG 3.23Å; F146-S150 WeakPolarHBondContact O-CB 3.23Å; F146-S150 PolarHBondContact O-N 3.14Å; F146-S150 PolarHBondContact O-OG 3.14Å; F146-L187 HydrophobicContact CE2-CD1 3.71Å; F146-L187 HydrophobicContact CZ-CD1 3.62Å; F146-T189 HydrophobicContact CD2-CG2 4.48Å; F146-T189 HydrophobicContact CE2-CG2 3.9Å; F146-Q193 HydrophobicContact CD1-CB 4.45Å; F146-Q193 HydrophobicContact CD2-CB 3.72Å; F146-Q193 HydrophobicContact CD2-CG 4.35Å; F146-Q193 HydrophobicContact CE1-CB 4.25Å; F146-Q193 HydrophobicContact CE2-CB 3.5Å; F146-Q193 HydrophobicContact CG-CB 4.19Å; F146-Q193 HydrophobicContact CZ-CB 3.77Å; F146-H195 HydrophobicContact CE1-CB 3.94Å; F146-H195 HydrophobicContact CZ-CB 3.83Å
147	Q	93.8	Very high	95.4	Very high	117 Å²	117	46.9 Å²	46.9	55%	0.547	23%	0.23	S	C	.	.	H	α-helix	trans	-66	-41	179.2	-170.2	64.5	43.9	0	0	112.1	D145 S150 T151	D145-Q147 VanDerWaalsContact C-N 3.33Å; D145-Q147 PolarHBondContact O-N 3.38Å; Q147-S150 PolarHBondContact O-N 3.26Å; Q147-T151 PolarHBondContact O-N 3.26Å; Q147-T151 PolarHBondContact O-OG1 2.88Å
148	S	93.1	Very high	95.6	Very high	67 Å²	67	48.7 Å²	48.7	47%	0.469	24%	0.242	S	C	.	.	H	α-helix	trans	-65.5	-48.2	175.8	178.5	0	0	0	0	110.1	D145 S150 T151 H152	D145-S148 PolarHBondContact O-N 2.91Å; S148-S150 VanDerWaalsContact C-N 3.31Å; S148-S150 PolarHBondContact O-N 3.18Å; S148-T151 WeakPolarHBondContact O-CB 3.35Å; S148-T151 PolarHBondContact O-N 2.76Å; S148-H152 PolarHBondContact O-N 2.83Å
149	F	95.5	Very high	95.9	Very high	7 Å²	7	46.2 Å²	46.2	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-56.5	-43.3	175.1	177.1	-110.6	0	0	0	112.7	I143 D145 F146 T151 H152 I153 L187 M419 F450 P465	I143-F149 HydrophobicContact CD1-CD1 3.71Å; I143-F149 HydrophobicContact CD1-CE1 3.62Å; I143-F149 HydrophobicContact CD1-CG 4.29Å; I143-F149 HydrophobicContact CD1-CZ 4.14Å; I143-F149 HydrophobicContact CG2-CB 3.94Å; I143-F149 HydrophobicContact CG2-CD1 4.16Å; I143-F149 HydrophobicContact CG2-CG 4.1Å; D145-F149 PolarHBondContact O-N 2.91Å; D145-F149 VanDerWaalsContact O-N 3.16Å; F146-F149 HydrophobicContact CD2-CD1 4.4Å; F146-F149 HydrophobicContact CE2-CD1 4.41Å; F146-F149 PolarHBondContact O-N 3.11Å; F149-T151 PolarHBondContact O-N 2.89Å; F149-H152 WeakPolarHBondContact O-CB 3.47Å; F149-H152 PolarHBondContact O-N 2.96Å; F149-I153 HydrophobicContact CD1-CG1 4.4Å; F149-I153 HydrophobicContact CE1-CD1 4.24Å; F149-I153 HydrophobicContact CE1-CG1 3.93Å; F149-I153 HydrophobicContact CE2-CD1 4.05Å; F149-I153 HydrophobicContact CE2-CG1 4.24Å; F149-I153 HydrophobicContact CZ-CD1 3.67Å; F149-I153 HydrophobicContact CZ-CG1 3.83Å; F149-I153 WeakPolarHBondContact O-CG1 3.35Å; F149-I153 PolarHBondContact O-N 2.77Å; F149-I153 VanDerWaalsContact O-N 3.1Å; F149-L187 HydrophobicContact CE1-CD1 4.43Å; F149-L187 HydrophobicContact CE1-CD2 4.39Å; F149-M419 HydrophobicContact CE1-CE 4.34Å; F149-M419 HydrophobicContact CE1-SD 4.07Å; F149-M419 HydrophobicContact CZ-CE 3.68Å; F149-M419 HydrophobicContact CZ-SD 3.97Å; F149-F450 HydrophobicContact CE2-CE2 4.16Å; F149-F450 HydrophobicContact CE2-CZ 4.36Å; F149-F450 HydrophobicContact CZ-CE2 4.37Å; F149-P465 HydrophobicContact CD2-CB 3.77Å; F149-P465 HydrophobicContact CD2-CG 3.6Å; F149-P465 HydrophobicContact CE2-CB 4.19Å; F149-P465 HydrophobicContact CE2-CG 3.75Å; F149-P465 HydrophobicContact CG-CB 4.29Å
150	S	96.7	Very high	96.1	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.014	22%	0.219	C	C	.	.	H	α-helix	trans	-61.9	-30.3	177.6	-61.1	0	0	0	0	112.8	F146 Q147 S148 I153 N154 H195	F146-S150 WeakPolarHBondContact CE1-OG 3.23Å; F146-S150 WeakPolarHBondContact O-CB 3.23Å; F146-S150 PolarHBondContact O-N 3.14Å; F146-S150 PolarHBondContact O-OG 3.14Å; Q147-S150 PolarHBondContact O-N 3.26Å; S148-S150 VanDerWaalsContact C-N 3.31Å; S148-S150 PolarHBondContact O-N 3.18Å; S150-I153 PolarHBondContact O-N 3.32Å; S150-N154 VanDerWaalsContact O-CG 3.26Å; S150-N154 PolarHBondContact O-N 3.46Å; S150-N154 VanDerWaalsContact O-N 3.12Å; S150-N154 PolarHBondContact O-ND2 2.8Å; S150-N154 PolarHBondContact O-OD1 3.31Å; S150-H195 PolarHBondContact O-NE2 3.17Å
151	T	96.6	Very high	96.2	Very high	64 Å²	64	40.6 Å²	40.6	39%	0.393	21%	0.214	S	C	.	.	H	α-helix	trans	-68.2	-46	175.8	-52.5	0	0	0	0	110.6	Q147 S148 F149 I153 N154 D155	Q147-T151 PolarHBondContact O-N 3.26Å; Q147-T151 PolarHBondContact O-OG1 2.88Å; S148-T151 WeakPolarHBondContact O-CB 3.35Å; S148-T151 PolarHBondContact O-N 2.76Å; F149-T151 PolarHBondContact O-N 2.89Å; T151-I153 PolarHBondContact O-N 2.98Å; T151-N154 WeakPolarHBondContact O-CA 3.37Å; T151-N154 VanDerWaalsContact O-CB 3.31Å; T151-N154 WeakPolarHBondContact O-CB 3.49Å; T151-N154 PolarHBondContact O-N 2.89Å; T151-D155 PolarHBondContact O-N 3.06Å; T151-D155 VanDerWaalsContact O-N 3.07Å
152	H	96.6	Very high	96.2	Very high	59 Å²	59	47.7 Å²	47.7	27%	0.273	24%	0.244	S	C	.	.	H	α-helix	trans	-59.6	-35.8	173.6	-62.2	147.7	0	0	0	112.8	S148 F149 N154 D155 I156 L447 L463	S148-H152 PolarHBondContact O-N 2.83Å; F149-H152 WeakPolarHBondContact O-CB 3.47Å; F149-H152 PolarHBondContact O-N 2.96Å; H152-N154 VanDerWaalsContact C-N 3.32Å; H152-N154 PolarHBondContact O-N 3.06Å; H152-D155 PolarHBondContact O-N 2.74Å; H152-I156 WeakPolarHBondContact O-CG1 3.42Å; H152-I156 PolarHBondContact O-N 3.02Å; H152-L447 HydrophobicContact CB-CD2 3.81Å; H152-L463 VanDerWaalsContact CE1-CD1 3.45Å; H152-L463 WeakPolarHBondContact CE1-CD1 3.29Å
153	I	98.2	Very high	96.1	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-64.7	-36.9	174.7	-63.2	-61.4	0	0	0	111.6	F149 S150 T151 I156 Y157 L187 F440 L444	F149-I153 HydrophobicContact CD1-CG1 4.4Å; F149-I153 HydrophobicContact CE1-CD1 4.24Å; F149-I153 HydrophobicContact CE1-CG1 3.93Å; F149-I153 HydrophobicContact CE2-CD1 4.05Å; F149-I153 HydrophobicContact CE2-CG1 4.24Å; F149-I153 HydrophobicContact CZ-CD1 3.67Å; F149-I153 HydrophobicContact CZ-CG1 3.83Å; F149-I153 WeakPolarHBondContact O-CG1 3.35Å; F149-I153 PolarHBondContact O-N 2.77Å; F149-I153 VanDerWaalsContact O-N 3.1Å; S150-I153 PolarHBondContact O-N 3.32Å; T151-I153 PolarHBondContact O-N 2.98Å; I153-I156 HydrophobicContact CD1-CD1 4.46Å; I153-I156 PolarHBondContact O-N 3.42Å; I153-Y157 WeakPolarHBondContact O-CB 3.26Å; I153-Y157 PolarHBondContact O-N 3.03Å; I153-L187 HydrophobicContact CB-CD2 4.31Å; I153-L187 HydrophobicContact CD1-CD2 4.49Å; I153-L187 HydrophobicContact CG1-CD2 3.88Å; I153-L187 HydrophobicContact CG2-CD2 3.89Å; I153-F440 HydrophobicContact CD1-CZ 4.2Å; I153-F440 HydrophobicContact CG2-CE2 4.23Å; I153-F440 HydrophobicContact CG2-CZ 4.14Å; I153-L444 HydrophobicContact CD1-CD1 3.9Å
154	N	98.3	Very high	95.9	Very high	47 Å²	47	54.7 Å²	54.7	25%	0.251	29%	0.29	S	S	.	.	H	α-helix	trans	-63.2	-43.3	173.5	-60	-23.8	0	0	0	111	S150 T151 H152 I156 Y157 D158 H195 V197	S150-N154 VanDerWaalsContact O-CG 3.26Å; S150-N154 PolarHBondContact O-N 3.46Å; S150-N154 VanDerWaalsContact O-N 3.12Å; S150-N154 PolarHBondContact O-ND2 2.8Å; S150-N154 PolarHBondContact O-OD1 3.31Å; T151-N154 WeakPolarHBondContact O-CA 3.37Å; T151-N154 VanDerWaalsContact O-CB 3.31Å; T151-N154 WeakPolarHBondContact O-CB 3.49Å; T151-N154 PolarHBondContact O-N 2.89Å; H152-N154 VanDerWaalsContact C-N 3.32Å; H152-N154 PolarHBondContact O-N 3.06Å; N154-I156 VanDerWaalsContact C-N 3.34Å; N154-I156 PolarHBondContact O-N 2.7Å; N154-Y157 WeakPolarHBondContact O-CB 3.44Å; N154-Y157 PolarHBondContact O-N 3.13Å; N154-Y157 VanDerWaalsContact O-N 3.17Å; N154-D158 PolarHBondContact O-N 2.89Å; N154-H195 PolarHBondContact OD1-CE1 2.97Å; N154-H195 PolarHBondContact OD1-NE2 2.98Å; N154-V197 WeakPolarHBondContact OD1-CG2 3.15Å
155	D	97.9	Very high	95.9	Very high	84 Å²	84	55.7 Å²	55.7	45%	0.449	30%	0.303	S	S	.	.	H	α-helix	trans	-62.1	-42.6	179.5	-60	-30.1	0	0	0	111.6	T151 H152 D158 N159	T151-D155 PolarHBondContact O-N 3.06Å; T151-D155 VanDerWaalsContact O-N 3.07Å; H152-D155 PolarHBondContact O-N 2.74Å; D155-D158 PolarHBondContact O-N 3.31Å; D155-N159 PolarHBondContact O-N 3.08Å; D155-N159 PolarHBondContact O-ND2 3.25Å
156	I	98.1	Very high	96	Very high	9 Å²	9	55.3 Å²	55.3	5%	0.046	31%	0.311	C	S	.	.	H	α-helix	trans	-65.1	-42.5	175.1	-62	164.8	0	0	0	110.7	H152 I153 N154 D158 N159 G160 F440 D443 L444 L447	H152-I156 WeakPolarHBondContact O-CG1 3.42Å; H152-I156 PolarHBondContact O-N 3.02Å; I153-I156 HydrophobicContact CD1-CD1 4.46Å; I153-I156 PolarHBondContact O-N 3.42Å; N154-I156 VanDerWaalsContact C-N 3.34Å; N154-I156 PolarHBondContact O-N 2.7Å; I156-D158 VanDerWaalsContact C-N 3.32Å; I156-D158 PolarHBondContact O-N 2.9Å; I156-N159 PolarHBondContact O-N 3.36Å; I156-G160 PolarHBondContact O-N 3.37Å; I156-F440 HydrophobicContact CB-CD2 4.25Å; I156-F440 HydrophobicContact CB-CE2 4.08Å; I156-F440 HydrophobicContact CG2-CB 4.46Å; I156-F440 HydrophobicContact CG2-CD2 3.43Å; I156-F440 VanDerWaalsContact CG2-CD2 3.43Å; I156-F440 HydrophobicContact CG2-CE2 3.69Å; I156-F440 HydrophobicContact CG2-CG 4.03Å; I156-F440 HydrophobicContact CG2-CZ 4.49Å; I156-D443 HydrophobicContact CG1-CB 4.32Å; I156-D443 HydrophobicContact CG2-CB 3.58Å; I156-L444 HydrophobicContact CD1-CD1 4.3Å; I156-L447 HydrophobicContact CD1-CD2 4.03Å
157	Y	98.4	Very high	96.1	Very high	14 Å²	14	62.6 Å²	62.6	6%	0.055	35%	0.345	C	S	.	.	H	α-helix	trans	-57.4	-45.9	175.5	169.8	-86.2	0	0	0	111.5	I153 N154 N159 G160 K161 W183 V185 V197 G198	I153-Y157 WeakPolarHBondContact O-CB 3.26Å; I153-Y157 PolarHBondContact O-N 3.03Å; N154-Y157 WeakPolarHBondContact O-CB 3.44Å; N154-Y157 PolarHBondContact O-N 3.13Å; N154-Y157 VanDerWaalsContact O-N 3.17Å; Y157-N159 VanDerWaalsContact C-N 3.32Å; Y157-N159 PolarHBondContact O-N 3.47Å; Y157-G160 PolarHBondContact O-N 3.49Å; Y157-K161 HydrophobicContact CE1-CD 4.08Å; Y157-K161 PolarHBondContact O-N 2.72Å; Y157-W183 AromaticContact CD2-CD1 3.6Å; Y157-W183 AromaticContact CD2-CE2 3.91Å; Y157-W183 HydrophobicContact CD2-CG 4.35Å; Y157-W183 AromaticContact CD2-NE1 3.26Å; Y157-W183 VanDerWaalsContact CD2-NE1 3.26Å; Y157-W183 HydrophobicContact CE2-CB 4.36Å; Y157-W183 AromaticContact CE2-CD1 3.09Å; Y157-W183 HydrophobicContact CE2-CD2 4.17Å; Y157-W183 AromaticContact CE2-CE2 4Å; Y157-W183 AromaticContact CE2-CG 3.64Å; Y157-W183 HydrophobicContact CE2-CG 3.64Å; Y157-W183 AromaticContact CE2-NE1 3.31Å; Y157-W183 VanDerWaalsContact CE2-NE1 3.31Å; Y157-W183 WeakPolarHBondContact CE2-O 3.22Å; Y157-W183 AromaticContact CG-NE1 3.85Å; Y157-W183 AromaticContact CZ-CD1 3.34Å; Y157-W183 AromaticContact CZ-NE1 3.91Å; Y157-W183 PolarHBondContact O-NE1 3.44Å; Y157-W183 PolarHBondContact OH-O 3.12Å; Y157-V185 HydrophobicContact CD2-CB 4.17Å; Y157-V185 HydrophobicContact CD2-CG2 3.84Å; Y157-V197 HydrophobicContact CD1-CB 4.33Å; Y157-V197 HydrophobicContact CD1-CG1 3.43Å; Y157-V197 VanDerWaalsContact CD1-CG1 3.43Å; Y157-V197 HydrophobicContact CD2-CB 3.92Å; Y157-V197 HydrophobicContact CD2-CG1 3.91Å; Y157-V197 HydrophobicContact CE1-CG1 3.76Å; Y157-V197 HydrophobicContact CE2-CB 4.32Å; Y157-V197 HydrophobicContact CE2-CG1 4.2Å; Y157-V197 WeakPolarHBondContact CE2-O 3.47Å; Y157-V197 HydrophobicContact CG-CB 3.94Å; Y157-V197 HydrophobicContact CG-CG1 3.54Å; Y157-G198 VanDerWaalsContact OH-CA 3.23Å; Y157-G198 WeakPolarHBondContact OH-CA 3.37Å
158	D	98.1	Very high	96.2	Very high	75 Å²	75	58.5 Å²	58.5	40%	0.401	33%	0.329	S	S	.	.	H	α-helix	trans	-67.4	-31.8	-179.2	-76.8	-28	0	0	0	112.4	N154 D155 I156 K161 K162	N154-D158 PolarHBondContact O-N 2.89Å; D155-D158 PolarHBondContact O-N 3.31Å; I156-D158 VanDerWaalsContact C-N 3.32Å; I156-D158 PolarHBondContact O-N 2.9Å; D158-K161 PolarHBondContact O-N 3.49Å; D158-K162 WeakPolarHBondContact O-CG 3.44Å
159	N	96.3	Very high	96.3	Very high	75 Å²	75	55.9 Å²	55.9	40%	0.401	31%	0.311	S	S	.	.	H	α-helix	trans	-66.1	-46.6	170.6	-72	-21.7	0	0	0	111.8	D155 I156 Y157 K161 K162	D155-N159 PolarHBondContact O-N 3.08Å; D155-N159 PolarHBondContact O-ND2 3.25Å; I156-N159 PolarHBondContact O-N 3.36Å; Y157-N159 VanDerWaalsContact C-N 3.32Å; Y157-N159 PolarHBondContact O-N 3.47Å; N159-K161 VanDerWaalsContact C-N 3.28Å; N159-K161 PolarHBondContact O-N 3.12Å; N159-K162 WeakPolarHBondContact O-CB 3.48Å; N159-K162 PolarHBondContact O-N 3.09Å; N159-K162 PolarHBondContact OD1-NZ 3.28Å
160	G	94.5	Very high	96.2	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-61.4	-35.8	175	0	0	0	0	0	113	I156 Y157 K162 L163 R436	I156-G160 PolarHBondContact O-N 3.37Å; Y157-G160 PolarHBondContact O-N 3.49Å; G160-K162 PolarHBondContact O-N 2.86Å; G160-L163 WeakPolarHBondContact O-CB 3.38Å; G160-L163 PolarHBondContact O-N 3.23Å; G160-L163 VanDerWaalsContact O-N 3.11Å; G160-R436 WeakPolarHBondContact O-CG 3.38Å
161	K	95.8	Very high	96	Very high	119 Å²	119	66.7 Å²	66.7	52%	0.517	36%	0.362	S	S	.	.	H	α-helix	trans	-60.9	-29.5	178.7	-171.2	176.4	-179.8	177.8	0	113.3	Y157 D158 N159 L163	Y157-K161 HydrophobicContact CE1-CD 4.08Å; Y157-K161 PolarHBondContact O-N 2.72Å; D158-K161 PolarHBondContact O-N 3.49Å; N159-K161 VanDerWaalsContact C-N 3.28Å; N159-K161 PolarHBondContact O-N 3.12Å; K161-L163 PolarHBondContact O-N 2.97Å
162	K	95.7	Very high	95.9	Very high	155 Å²	155	63.9 Å²	63.9	67%	0.674	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-17.1	178.3	-64.8	164.3	-168.9	164.3	0	113	D158 N159 G160	D158-K162 WeakPolarHBondContact O-CG 3.44Å; N159-K162 WeakPolarHBondContact O-CB 3.48Å; N159-K162 PolarHBondContact O-N 3.09Å; N159-K162 PolarHBondContact OD1-NZ 3.28Å; G160-K162 PolarHBondContact O-N 2.86Å
163	L	95	Very high	95.8	Very high	61 Å²	61	65 Å²	65	32%	0.319	36%	0.356	S	S	.	.			trans	-80	127.6	178.3	-59.3	177.1	0	0	0	110.8	G160 K161 V435 R436 Q439	G160-L163 WeakPolarHBondContact O-CB 3.38Å; G160-L163 PolarHBondContact O-N 3.23Å; G160-L163 VanDerWaalsContact O-N 3.11Å; K161-L163 PolarHBondContact O-N 2.97Å; L163-V435 HydrophobicContact CD1-CG1 4.4Å; L163-R436 HydrophobicContact CB-CG 4.35Å; L163-R436 PolarHBondContact O-NE 3.5Å; L163-R436 PolarHBondContact O-NH2 2.77Å; L163-Q439 HydrophobicContact CD1-CB 3.61Å; L163-Q439 HydrophobicContact CD1-CG 3.72Å
164	S	93.1	Very high	95.6	Very high	116 Å²	116	66.7 Å²	66.7	81%	0.811	36%	0.364	S	S	*	.			trans	-116.6	11.1	177.2	62.3	0	0	0	0	113.4
165	G	92.7	Very high	95.4	Very high	41 Å²	41	64.5 Å²	64.5	42%	0.423	35%	0.353	S	S	.	.			trans	-80.7	168.2	179.5	0	0	0	0	0	113.7
166	G	95.7	Very high	95.3	Very high	42 Å²	42	62.9 Å²	62.9	43%	0.433	35%	0.351	S	S	.	.	S	Bend	trans	98.7	177	179.3	0	0	0	0	0	113.6	L428	G166-L428 CarbonylContact C-O 3.53Å; G166-L428 WeakPolarHBondContact CA-O 3.39Å
167	Q	97.2	Very high	95.1	Very high	159 Å²	159	72.6 Å²	72.6	74%	0.743	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.7	135.4	177.7	-69.3	-175.3	-11.5	0	0	110.4	L428	Q167-L428 PolarHBondContact N-O 3.29Å; Q167-L428 PolarHBondContact O-N 3.4Å
168	V	96.9	Very high	95	Very high	32 Å²	32	74 Å²	74	19%	0.194	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	137.8	173.9	-179.7	0	0	0	0	108.5	D170 L175 P180 P426 P427	V168-D170 PolarHBondContact O-N 2.89Å; V168-L175 WeakPolarHBondContact CG1-O 3.47Å; V168-P180 HydrophobicContact CG2-CB 3.97Å; V168-P426 HydrophobicContact CG1-CB 4.24Å; V168-P426 HydrophobicContact CG2-CB 4.22Å; V168-P427 HydrophobicContact CG2-CG 4.13Å
169	A	94.6	Very high	95	Very high	12 Å²	12	72.8 Å²	72.8	10%	0.099	39%	0.391	C	S	.	.			trans	-62.2	118.5	174.7	0	0	0	0	0	110.3	Y171 L175 A176 V407 L428	A169-Y171 HydrophobicContact CB-CD1 4.21Å; A169-Y171 HydrophobicContact CB-CE1 4.04Å; A169-L175 HydrophobicContact CB-CB 4.21Å; A169-L175 HydrophobicContact CB-CD1 4.01Å; A169-L175 CarbonylContact O-C 3.27Å; A169-L175 VanDerWaalsContact O-C 3.27Å; A169-L175 WeakPolarHBondContact O-CB 3.3Å; A169-A176 PolarHBondContact O-N 2.95Å; A169-A176 VanDerWaalsContact O-N 3.16Å; A169-V407 WeakPolarHBondContact CB-O 3.43Å; A169-L428 HydrophobicContact CB-CD1 4.17Å
170	D	94.4	Very high	95	Very high	125 Å²	125	72.4 Å²	72.4	67%	0.668	39%	0.392	S	S	*	.			trans	-118.9	1.7	-171	64.5	-11.5	0	0	0	114	V168 I172 A176	V168-D170 PolarHBondContact O-N 2.89Å; D170-I172 PolarHBondContact O-N 2.71Å; D170-A176 HydrophobicContact CB-CB 4.23Å
171	Y	92.4	Very high	95.1	Very high	111 Å²	111	78.1 Å²	78.1	44%	0.435	42%	0.423	S	S	.	.	S	Bend	trans	-64.8	-19.8	178.7	71.9	-90.1	0	0	0	113.5	A169 L175 E304 V407	A169-Y171 HydrophobicContact CB-CD1 4.21Å; A169-Y171 HydrophobicContact CB-CE1 4.04Å; Y171-L175 HydrophobicContact CE1-CD1 3.82Å; Y171-L175 WeakPolarHBondContact OH-CD1 3.39Å; Y171-E304 PolarHBondContact OH-OE1 2.91Å; Y171-V407 HydrophobicContact CE1-CG2 4.4Å; Y171-V407 WeakPolarHBondContact OH-CG2 3.19Å
172	I	93.4	Very high	95.2	Very high	4 Å²	4	74 Å²	74	2%	0.021	41%	0.407	C	S	.	.	S	Bend	trans	-129.4	144.3	167	54.1	167.5	0	0	0	110.9	D170 Q174 L175 A176 T300 E304 S307	D170-I172 PolarHBondContact O-N 2.71Å; I172-Q174 VanDerWaalsContact C-N 3.26Å; I172-Q174 PolarHBondContact O-N 2.81Å; I172-L175 HydrophobicContact CD1-CD1 3.83Å; I172-L175 HydrophobicContact CD1-CG 3.73Å; I172-L175 HydrophobicContact CG1-CB 4.08Å; I172-L175 HydrophobicContact CG1-CD1 3.77Å; I172-L175 HydrophobicContact CG1-CG 3.72Å; I172-L175 PolarHBondContact O-N 3.4Å; I172-A176 PolarHBondContact O-N 3.44Å; I172-T300 HydrophobicContact CD1-CG2 3.97Å; I172-E304 HydrophobicContact CD1-CG 3.9Å; I172-E304 VanDerWaalsContact CD1-OE1 3.26Å; I172-E304 WeakPolarHBondContact CD1-OE1 3.28Å; I172-S307 WeakPolarHBondContact CG2-OG 3.39Å
173	P	94.1	Very high	95.4	Very high	82 Å²	82	66.7 Å²	66.7	53%	0.532	38%	0.375	S	S	.	.	H	α-helix	trans	-64.6	-27.9	-174.4	23.7	-32.6	0	0	0	113.2	L175 A176 R177	P173-L175 PolarHBondContact O-N 2.93Å; P173-A176 PolarHBondContact O-N 3.11Å; P173-R177 VanDerWaalsContact O-CG 3.24Å; P173-R177 WeakPolarHBondContact O-CG 3.27Å; P173-R177 PolarHBondContact O-N 3.01Å
174	Q	95.3	Very high	95.5	Very high	37 Å²	37	63.8 Å²	63.8	17%	0.173	36%	0.36	C	S	.	.	H	α-helix	trans	-67.9	-35.4	-179.1	-64.5	75.5	12.1	0	0	112.2	I172 A299 S303	I172-Q174 VanDerWaalsContact C-N 3.26Å; I172-Q174 PolarHBondContact O-N 2.81Å; Q174-A299 HydrophobicContact CG-CB 4.03Å; Q174-A299 PolarHBondContact NE2-O 2.96Å; Q174-S303 PolarHBondContact NE2-OG 2.61Å; Q174-S303 PolarHBondContact OE1-OG 2.82Å; Q174-S303 VanDerWaalsContact OE1-OG 3.05Å
175	L	94.3	Very high	95.8	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-78.8	-37.2	175.7	-63.9	180	0	0	0	111.5	V168 A169 Y171 I172 P173 R177 F178 V407 A408	V168-L175 WeakPolarHBondContact CG1-O 3.47Å; A169-L175 HydrophobicContact CB-CB 4.21Å; A169-L175 HydrophobicContact CB-CD1 4.01Å; A169-L175 CarbonylContact O-C 3.27Å; A169-L175 VanDerWaalsContact O-C 3.27Å; A169-L175 WeakPolarHBondContact O-CB 3.3Å; Y171-L175 HydrophobicContact CE1-CD1 3.82Å; Y171-L175 WeakPolarHBondContact OH-CD1 3.39Å; I172-L175 HydrophobicContact CD1-CD1 3.83Å; I172-L175 HydrophobicContact CD1-CG 3.73Å; I172-L175 HydrophobicContact CG1-CB 4.08Å; I172-L175 HydrophobicContact CG1-CD1 3.77Å; I172-L175 HydrophobicContact CG1-CG 3.72Å; I172-L175 PolarHBondContact O-N 3.4Å; P173-L175 PolarHBondContact O-N 2.93Å; L175-R177 PolarHBondContact O-N 3.23Å; L175-R177 VanDerWaalsContact O-N 3.11Å; L175-F178 HydrophobicContact CD2-CE2 4.4Å; L175-F178 PolarHBondContact O-N 2.95Å; L175-V407 HydrophobicContact CD1-CG2 4.21Å; L175-A408 HydrophobicContact CD2-CB 3.98Å
176	A	95.3	Very high	96.1	Very high	50 Å²	50	56.4 Å²	56.4	41%	0.413	30%	0.301	S	S	.	.	H	α-helix	trans	-60.3	-23.3	178.1	0	0	0	0	0	113.6	A169 D170 I172 P173 F178	A169-A176 PolarHBondContact O-N 2.95Å; A169-A176 VanDerWaalsContact O-N 3.16Å; D170-A176 HydrophobicContact CB-CB 4.23Å; I172-A176 PolarHBondContact O-N 3.44Å; P173-A176 PolarHBondContact O-N 3.11Å; A176-F178 VanDerWaalsContact C-N 3.32Å; A176-F178 PolarHBondContact O-N 3.15Å
177	R	94.5	Very high	96.2	Very high	213 Å²	213	54.5 Å²	54.5	80%	0.804	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-18.6	-179.4	-77.8	173	70.1	-174.8	1.7	114.3	P173 L175	P173-R177 VanDerWaalsContact O-CG 3.24Å; P173-R177 WeakPolarHBondContact O-CG 3.27Å; P173-R177 PolarHBondContact O-N 3.01Å; L175-R177 PolarHBondContact O-N 3.23Å; L175-R177 VanDerWaalsContact O-N 3.11Å
178	F	95.8	Very high	96.3	Very high	43 Å²	43	46.9 Å²	46.9	19%	0.189	25%	0.246	C	C	.	.	S	Bend	trans	-72.7	133	179.6	-72.6	-70.3	0	0	0	110.7	L175 A176 L182 V202 F204 W424 P426	L175-F178 HydrophobicContact CD2-CE2 4.4Å; L175-F178 PolarHBondContact O-N 2.95Å; A176-F178 VanDerWaalsContact C-N 3.32Å; A176-F178 PolarHBondContact O-N 3.15Å; F178-L182 HydrophobicContact CB-CD1 4.39Å; F178-L182 HydrophobicContact CD1-CD1 4.06Å; F178-V202 HydrophobicContact CE1-CG1 4.49Å; F178-F204 HydrophobicContact CZ-CB 4.12Å; F178-W424 AromaticContact CD1-CH2 3.9Å; F178-W424 HydrophobicContact CD1-CH2 3.9Å; F178-W424 AromaticContact CD1-CZ2 3.74Å; F178-W424 HydrophobicContact CD1-CZ2 3.74Å; F178-W424 HydrophobicContact CE1-CH2 4.03Å; F178-W424 AromaticContact CE1-CZ2 3.85Å; F178-W424 HydrophobicContact CE1-CZ2 3.85Å; F178-W424 HydrophobicContact CG-CZ2 4.24Å; F178-W424 HydrophobicContact CZ-CZ2 4.43Å; F178-P426 HydrophobicContact CB-CB 3.99Å; F178-P426 HydrophobicContact CB-CG 3.71Å; F178-P426 HydrophobicContact CG-CG 4.39Å
179	S	97.3	Very high	96.4	Very high	50 Å²	50	45.4 Å²	45.4	35%	0.35	24%	0.236	S	C	.	.			trans	-65.8	136.6	175.9	171.8	0	0	0	0	110.3	D181 L182	S179-D181 PolarHBondContact O-N 2.77Å; S179-D181 PolarHBondContact OG-N 3.08Å; S179-L182 PolarHBondContact O-N 3.23Å
180	P	97.1	Very high	96.6	Very high	66 Å²	66	45.6 Å²	45.6	43%	0.429	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-18.6	175.1	27.7	-35.7	0	0	0	113.1	V168 L182 P427	V168-P180 HydrophobicContact CG2-CB 3.97Å; P180-L182 VanDerWaalsContact C-N 3.31Å; P180-L182 PolarHBondContact O-N 3.2Å; P180-P427 HydrophobicContact CB-CG 3.72Å; P180-P427 WeakPolarHBondContact O-CG 3.48Å
181	D	96.9	Very high	96.7	Very high	120 Å²	120	41.5 Å²	41.5	64%	0.642	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-15.8	-178.1	-65.1	-38.5	0	0	0	113.4	S179 W183 R436	S179-D181 PolarHBondContact O-N 2.77Å; S179-D181 PolarHBondContact OG-N 3.08Å; D181-W183 PolarHBondContact O-N 3.18Å; D181-R436 PolarHBondContact O-NH1 3.42Å
182	L	98	Very high	97	Very high	34 Å²	34	36.2 Å²	36.2	18%	0.178	19%	0.194	C	C	.	.			trans	-62.7	127.9	-178.2	-66.1	168.7	0	0	0	110.9	F178 S179 P180 D199 W424 P426	F178-L182 HydrophobicContact CB-CD1 4.39Å; F178-L182 HydrophobicContact CD1-CD1 4.06Å; S179-L182 PolarHBondContact O-N 3.23Å; P180-L182 VanDerWaalsContact C-N 3.31Å; P180-L182 PolarHBondContact O-N 3.2Å; L182-D199 WeakPolarHBondContact CA-OD2 3.36Å; L182-D199 HydrophobicContact CD2-CB 4.15Å; L182-W424 HydrophobicContact CB-CH2 4.18Å; L182-W424 HydrophobicContact CB-CZ3 4.01Å; L182-W424 HydrophobicContact CD1-CH2 3.71Å; L182-W424 HydrophobicContact CD1-CZ3 4.24Å; L182-W424 HydrophobicContact CG-CH2 4.47Å; L182-P426 HydrophobicContact CB-CG 4.3Å; L182-P426 WeakPolarHBondContact O-CD 3.36Å
183	W	98.4	Very high	97.2	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	19%	0.193	C	C	.	.			trans	-149.4	114.2	178.8	179.8	-138.6	0	0	0	111.1	Y157 D181 V185 G198 D199 C423 W424 R436 F440	Y157-W183 AromaticContact CD2-CD1 3.6Å; Y157-W183 AromaticContact CD2-CE2 3.91Å; Y157-W183 HydrophobicContact CD2-CG 4.35Å; Y157-W183 AromaticContact CD2-NE1 3.26Å; Y157-W183 VanDerWaalsContact CD2-NE1 3.26Å; Y157-W183 HydrophobicContact CE2-CB 4.36Å; Y157-W183 AromaticContact CE2-CD1 3.09Å; Y157-W183 HydrophobicContact CE2-CD2 4.17Å; Y157-W183 AromaticContact CE2-CE2 4Å; Y157-W183 AromaticContact CE2-CG 3.64Å; Y157-W183 HydrophobicContact CE2-CG 3.64Å; Y157-W183 AromaticContact CE2-NE1 3.31Å; Y157-W183 VanDerWaalsContact CE2-NE1 3.31Å; Y157-W183 WeakPolarHBondContact CE2-O 3.22Å; Y157-W183 AromaticContact CG-NE1 3.85Å; Y157-W183 AromaticContact CZ-CD1 3.34Å; Y157-W183 AromaticContact CZ-NE1 3.91Å; Y157-W183 PolarHBondContact O-NE1 3.44Å; Y157-W183 PolarHBondContact OH-O 3.12Å; D181-W183 PolarHBondContact O-N 3.18Å; W183-V185 HydrophobicContact CH2-CG2 3.74Å; W183-V185 HydrophobicContact CZ2-CG2 3.56Å; W183-V185 HydrophobicContact CZ3-CG2 4.34Å; W183-G198 WeakPolarHBondContact O-CA 3.36Å; W183-D199 PolarHBondContact N-OD2 3.34Å; W183-D199 PolarHBondContact O-N 3.44Å; W183-C423 HydrophobicContact CH2-CB 3.88Å; W183-C423 HydrophobicContact CZ3-CB 3.98Å; W183-W424 WeakPolarHBondContact CA-O 3.24Å; W183-W424 VanDerWaalsContact CE3-O 3.25Å; W183-R436 HydrophobicContact CD2-CB 3.89Å; W183-R436 HydrophobicContact CE3-CB 3.75Å; W183-R436 VanDerWaalsContact CH2-C 3.44Å; W183-R436 HydrophobicContact CH2-CB 3.75Å; W183-R436 WeakPolarHBondContact CH2-O 3.42Å; W183-R436 HydrophobicContact CZ2-CB 3.88Å; W183-R436 HydrophobicContact CZ3-CB 3.67Å; W183-F440 HydrophobicContact CH2-CB 4.04Å; W183-F440 HydrophobicContact CZ2-CB 4.04Å; W183-F440 HydrophobicContact CZ2-CD2 4.28Å; W183-F440 HydrophobicContact CZ2-CG 4.44Å
184	G	98.6	Very high	97.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	139.7	178.8	0	0	0	0	0	112.6	C423 W424	G184-C423 CarbonylContact O-C 3.49Å; G184-C423 WeakPolarHBondContact O-CA 3.29Å; G184-W424 PolarHBondContact N-O 3.15Å; G184-W424 PolarHBondContact O-N 3.42Å
185	V	98.8	Very high	97.6	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	127.9	171.6	175.9	0	0	0	0	109.2	Y157 W183 T196 V197 T200 I421 M422 C423 F440	Y157-V185 HydrophobicContact CD2-CB 4.17Å; Y157-V185 HydrophobicContact CD2-CG2 3.84Å; W183-V185 HydrophobicContact CH2-CG2 3.74Å; W183-V185 HydrophobicContact CZ2-CG2 3.56Å; W183-V185 HydrophobicContact CZ3-CG2 4.34Å; V185-T196 CarbonylContact O-C 3.55Å; V185-T196 WeakPolarHBondContact O-CA 3.41Å; V185-V197 PolarHBondContact N-O 3.46Å; V185-V197 PolarHBondContact O-N 3.49Å; V185-T200 WeakPolarHBondContact O-CG2 3.31Å; V185-I421 HydrophobicContact CG1-CG2 4.37Å; V185-M422 WeakPolarHBondContact CA-O 3.32Å; V185-C423 HydrophobicContact CG2-CB 4.45Å; V185-F440 HydrophobicContact CB-CE2 4.41Å; V185-F440 HydrophobicContact CG1-CD2 4.42Å; V185-F440 HydrophobicContact CG1-CE1 4.14Å; V185-F440 HydrophobicContact CG1-CE2 3.75Å; V185-F440 HydrophobicContact CG1-CZ 3.59Å; V185-F440 HydrophobicContact CG2-CD2 3.94Å; V185-F440 HydrophobicContact CG2-CE2 4.03Å; V185-F440 HydrophobicContact CG2-CG 4.43Å
186	A	98.8	Very high	97.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	140.1	174.8	0	0	0	0	0	110.7	T196 T200 C347 S351 I421 M422	A186-T196 HydrophobicContact CB-CG2 3.77Å; A186-T200 HydrophobicContact CB-CG2 4.4Å; A186-C347 HydrophobicContact CB-CB 3.6Å; A186-C347 VanDerWaalsContact CB-O 3.27Å; A186-C347 WeakPolarHBondContact CB-O 3.43Å; A186-S351 WeakPolarHBondContact O-CB 3.46Å; A186-I421 CarbonylContact O-C 3.58Å; A186-I421 WeakPolarHBondContact O-CA 3.4Å; A186-M422 PolarHBondContact N-O 3.27Å; A186-M422 PolarHBondContact O-N 3.17Å
187	L	98.1	Very high	97.9	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	145.8	176.6	70.4	97.7	0	0	0	111.9	F146 F149 I153 R194 H195 G420 I421	F146-L187 HydrophobicContact CE2-CD1 3.71Å; F146-L187 HydrophobicContact CZ-CD1 3.62Å; F149-L187 HydrophobicContact CE1-CD1 4.43Å; F149-L187 HydrophobicContact CE1-CD2 4.39Å; I153-L187 HydrophobicContact CB-CD2 4.31Å; I153-L187 HydrophobicContact CD1-CD2 4.49Å; I153-L187 HydrophobicContact CG1-CD2 3.88Å; I153-L187 HydrophobicContact CG2-CD2 3.89Å; L187-R194 VanDerWaalsContact O-CA 3.32Å; L187-R194 WeakPolarHBondContact O-CA 3.47Å; L187-H195 HydrophobicContact CD1-CB 4.05Å; L187-H195 HydrophobicContact CD2-CB 3.83Å; L187-H195 HydrophobicContact CG-CB 3.84Å; L187-H195 PolarHBondContact N-O 2.95Å; L187-H195 PolarHBondContact O-N 3.21Å; L187-G420 WeakPolarHBondContact CA-O 3.43Å; L187-I421 HydrophobicContact CB-CG1 4Å
188	C	98.8	Very high	98.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	121.2	173.8	-177.1	0	0	0	0	109.2	Q193 R194 V352 A355 M419 G420	C188-Q193 CarbonylContact C-O 3.58Å; C188-Q193 WeakPolarHBondContact CA-O 3.44Å; C188-R194 HydrophobicContact CB-CG 4.06Å; C188-V352 HydrophobicContact CB-CG2 4.3Å; C188-A355 HydrophobicContact CB-CB 3.79Å; C188-A355 WeakPolarHBondContact O-CB 3.29Å; C188-M419 CarbonylContact O-C 2.89Å; C188-M419 VanDerWaalsContact O-CA 3.25Å; C188-M419 WeakPolarHBondContact O-CA 3.34Å; C188-M419 VanDerWaalsContact O-CB 3.28Å; C188-M419 WeakPolarHBondContact O-CB 3.33Å; C188-G420 PolarHBondContact N-O 2.98Å; C188-G420 PolarHBondContact O-N 3.39Å
189	T	98.8	Very high	98.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	163.4	175.3	72.1	0	0	0	0	111.2	V142 I143 F146 D191 G192 Q193 P364 V418 M419	V142-T189 HydrophobicContact CG1-CG2 4.37Å; I143-T189 HydrophobicContact CD1-CG2 3.93Å; I143-T189 HydrophobicContact CG1-CG2 4.44Å; F146-T189 HydrophobicContact CD2-CG2 4.48Å; F146-T189 HydrophobicContact CE2-CG2 3.9Å; T189-D191 PolarHBondContact O-N 3.42Å; T189-D191 VanDerWaalsContact O-N 3.16Å; T189-D191 PolarHBondContact OG1-N 3.24Å; T189-G192 PolarHBondContact O-N 3.26Å; T189-Q193 HydrophobicContact CG2-CB 3.89Å; T189-Q193 PolarHBondContact N-O 2.81Å; T189-Q193 VanDerWaalsContact OG1-CB 3.25Å; T189-Q193 WeakPolarHBondContact OG1-CB 3.34Å; T189-Q193 WeakPolarHBondContact OG1-CG 3.41Å; T189-Q193 PolarHBondContact OG1-N 3.45Å; T189-Q193 PolarHBondContact OG1-OE1 3.09Å; T189-P364 WeakPolarHBondContact O-CB 3.4Å; T189-V418 WeakPolarHBondContact CA-O 3.22Å; T189-V418 WeakPolarHBondContact CB-O 3.28Å; T189-M419 HydrophobicContact CG2-CB 4.21Å
190	V	98.5	Very high	98.3	Very high	16 Å²	16	24.4 Å²	24.4	10%	0.097	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.4	175.8	-62.5	0	0	0	0	113.2	V142 A358 N359 P364 V418	V142-V190 HydrophobicContact CB-CG2 4.26Å; V142-V190 HydrophobicContact CG1-CG2 3.98Å; V190-A358 HydrophobicContact CG1-CB 3.77Å; V190-N359 HydrophobicContact CB-CB 3.93Å; V190-N359 HydrophobicContact CG1-CB 3.73Å; V190-P364 VanDerWaalsContact O-CB 3.27Å; V190-P364 WeakPolarHBondContact O-CB 3.27Å; V190-V418 PolarHBondContact N-O 3.17Å
191	D	98.3	Very high	98.3	Very high	39 Å²	39	28.7 Å²	28.7	21%	0.209	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-6.2	174.3	-65.4	-52.4	0	0	0	113.8	R97 F141 V142 T189	R97-D191 PolarHBondContact NH1-O 3.37Å; R97-D191 PolarHBondContact NH2-O 3.38Å; F141-D191 VanDerWaalsContact CA-OD2 3.26Å; F141-D191 WeakPolarHBondContact CA-OD2 3.44Å; F141-D191 HydrophobicContact CB-CB 4.16Å; F141-D191 WeakPolarHBondContact CB-OD2 2.89Å; F141-D191 HydrophobicContact CD1-CB 3.45Å; F141-D191 VanDerWaalsContact CD1-CB 3.45Å; F141-D191 HydrophobicContact CE1-CB 3.86Å; F141-D191 HydrophobicContact CG-CB 3.81Å; V142-D191 WeakPolarHBondContact CB-OD2 3.4Å; V142-D191 WeakPolarHBondContact CG1-OD2 3.32Å; V142-D191 PolarHBondContact N-OD2 2.94Å; T189-D191 PolarHBondContact O-N 3.42Å; T189-D191 VanDerWaalsContact O-N 3.16Å; T189-D191 PolarHBondContact OG1-N 3.24Å
192	G	97.9	Very high	98.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.138	C	C	.	.			trans	90.3	13.8	-179.6	0	0	0	0	0	115	T189	T189-G192 PolarHBondContact O-N 3.26Å
193	Q	98.5	Very high	98.4	Very high	2 Å²	2	26 Å²	26	1%	0.009	15%	0.146	C	C	.	.			trans	-70.1	136.4	169.7	-51.6	167.8	-76	0	0	109.1	T89 G90 F141 I143 F146 C188 T189	T89-Q193 WeakPolarHBondContact O-CG 3.38Å; T89-Q193 PolarHBondContact O-NE2 3.26Å; G90-Q193 CarbonylContact O-C 3.51Å; G90-Q193 WeakPolarHBondContact O-CA 3.12Å; F141-Q193 HydrophobicContact CB-CG 4.41Å; F141-Q193 HydrophobicContact CD2-CG 3.6Å; F141-Q193 HydrophobicContact CE2-CG 4.12Å; F141-Q193 HydrophobicContact CG-CG 4.24Å; I143-Q193 PolarHBondContact O-NE2 3.4Å; I143-Q193 PolarHBondContact O-OE1 3.43Å; F146-Q193 HydrophobicContact CD1-CB 4.45Å; F146-Q193 HydrophobicContact CD2-CB 3.72Å; F146-Q193 HydrophobicContact CD2-CG 4.35Å; F146-Q193 HydrophobicContact CE1-CB 4.25Å; F146-Q193 HydrophobicContact CE2-CB 3.5Å; F146-Q193 HydrophobicContact CG-CB 4.19Å; F146-Q193 HydrophobicContact CZ-CB 3.77Å; C188-Q193 CarbonylContact C-O 3.58Å; C188-Q193 WeakPolarHBondContact CA-O 3.44Å; T189-Q193 HydrophobicContact CG2-CB 3.89Å; T189-Q193 PolarHBondContact N-O 2.81Å; T189-Q193 VanDerWaalsContact OG1-CB 3.25Å; T189-Q193 WeakPolarHBondContact OG1-CB 3.34Å; T189-Q193 WeakPolarHBondContact OG1-CG 3.41Å; T189-Q193 PolarHBondContact OG1-N 3.45Å; T189-Q193 PolarHBondContact OG1-OE1 3.09Å
194	R	98.4	Very high	98.4	Very high	23 Å²	23	26 Å²	26	9%	0.087	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	137	-171.3	-66.8	176	70.2	-167.2	12.6	112.6	G90 R92 L187 C188 E292 E348	G90-R194 PolarHBondContact O-N 3.1Å; R92-R194 HydrophobicContact CG-CB 4.35Å; R92-R194 VanDerWaalsContact NH1-CZ 3.3Å; L187-R194 VanDerWaalsContact O-CA 3.32Å; L187-R194 WeakPolarHBondContact O-CA 3.47Å; C188-R194 HydrophobicContact CB-CG 4.06Å; R194-E292 IonicContact CZ-OE1 3.96Å; R194-E292 IonicContact CZ-OE2 3.67Å; R194-E292 IonicContact NH1-OE1 3.28Å; R194-E292 PolarHBondContact NH1-OE1 3.34Å; R194-E292 IonicContact NH2-OE1 2.77Å; R194-E292 PolarHBondContact NH2-OE1 2.84Å; R194-E292 IonicContact NH2-OE2 3.7Å; R194-E292 PolarHBondContact NH2-OE2 3.02Å; R194-E348 IonicContact NH2-OE2 2.72Å
195	H	98.4	Very high	98.4	Very high	37 Å²	37	26.1 Å²	26.1	17%	0.171	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	148.3	174.7	-178	57.4	0	0	0	110.2	F146 S150 N154 L187 V197	F146-H195 HydrophobicContact CE1-CB 3.94Å; F146-H195 HydrophobicContact CZ-CB 3.83Å; S150-H195 PolarHBondContact O-NE2 3.17Å; N154-H195 PolarHBondContact OD1-CE1 2.97Å; N154-H195 PolarHBondContact OD1-NE2 2.98Å; L187-H195 HydrophobicContact CD1-CB 4.05Å; L187-H195 HydrophobicContact CD2-CB 3.83Å; L187-H195 HydrophobicContact CG-CB 3.84Å; L187-H195 PolarHBondContact N-O 2.95Å; L187-H195 PolarHBondContact O-N 3.21Å; H195-V197 VanDerWaalsContact NE2-CG2 3.32Å; H195-V197 WeakPolarHBondContact NE2-CG2 3.31Å
196	T	98.4	Very high	98.3	Very high	38 Å²	38	26.1 Å²	26.1	23%	0.233	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	137.7	-171.1	46.1	0	0	0	0	110.1	R92 V185 A186 T200 E348	R92-T196 PolarHBondContact NH2-OG1 3.35Å; R92-T196 VanDerWaalsContact NH2-OG1 3.12Å; V185-T196 CarbonylContact O-C 3.55Å; V185-T196 WeakPolarHBondContact O-CA 3.41Å; A186-T196 HydrophobicContact CB-CG2 3.77Å; T196-T200 HydrophobicContact CG2-CG2 4.22Å; T196-E348 HydrophobicContact CG2-CG 3.78Å
197	V	98.5	Very high	98.2	Very high	23 Å²	23	26.4 Å²	26.4	14%	0.139	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	134.8	-178.8	-163.3	0	0	0	0	109.6	N154 Y157 V185 H195 T200	N154-V197 WeakPolarHBondContact OD1-CG2 3.15Å; Y157-V197 HydrophobicContact CD1-CB 4.33Å; Y157-V197 HydrophobicContact CD1-CG1 3.43Å; Y157-V197 VanDerWaalsContact CD1-CG1 3.43Å; Y157-V197 HydrophobicContact CD2-CB 3.92Å; Y157-V197 HydrophobicContact CD2-CG1 3.91Å; Y157-V197 HydrophobicContact CE1-CG1 3.76Å; Y157-V197 HydrophobicContact CE2-CB 4.32Å; Y157-V197 HydrophobicContact CE2-CG1 4.2Å; Y157-V197 WeakPolarHBondContact CE2-O 3.47Å; Y157-V197 HydrophobicContact CG-CB 3.94Å; Y157-V197 HydrophobicContact CG-CG1 3.54Å; V185-V197 PolarHBondContact N-O 3.46Å; V185-V197 PolarHBondContact O-N 3.49Å; H195-V197 VanDerWaalsContact NE2-CG2 3.32Å; H195-V197 WeakPolarHBondContact NE2-CG2 3.31Å; V197-T200 VanDerWaalsContact O-CG2 3.29Å; V197-T200 WeakPolarHBondContact O-CG2 3.4Å
198	G	98.3	Very high	98.1	Very high	41 Å²	41	26.7 Å²	26.7	42%	0.423	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	82.2	-148.7	178.8	0	0	0	0	0	114.6	Y157 W183 T200	Y157-G198 VanDerWaalsContact OH-CA 3.23Å; Y157-G198 WeakPolarHBondContact OH-CA 3.37Å; W183-G198 WeakPolarHBondContact O-CA 3.36Å; G198-T200 PolarHBondContact O-N 3.5Å
199	D	98.3	Very high	98.1	Very high	61 Å²	61	26.7 Å²	26.7	33%	0.326	15%	0.15	S	C	.	.	S	Bend	trans	-80.4	51.4	-170.9	-56.8	-56	0	0	0	113.1	L182 W183 K201 V202	L182-D199 WeakPolarHBondContact CA-OD2 3.36Å; L182-D199 HydrophobicContact CD2-CB 4.15Å; W183-D199 PolarHBondContact N-OD2 3.34Å; W183-D199 PolarHBondContact O-N 3.44Å; D199-K201 VanDerWaalsContact C-N 3.34Å; D199-K201 PolarHBondContact O-N 3.22Å; D199-V202 HydrophobicContact CB-CG2 4.13Å
200	T	98.5	Very high	98.1	Very high	9 Å²	9	26.7 Å²	26.7	6%	0.055	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-20.7	-167.7	58.1	0	0	0	0	115.2	V185 A186 T196 V197 G198 T346 C347 E348	V185-T200 WeakPolarHBondContact O-CG2 3.31Å; A186-T200 HydrophobicContact CB-CG2 4.4Å; T196-T200 HydrophobicContact CG2-CG2 4.22Å; V197-T200 VanDerWaalsContact O-CG2 3.29Å; V197-T200 WeakPolarHBondContact O-CG2 3.4Å; G198-T200 PolarHBondContact O-N 3.5Å; T200-T346 WeakPolarHBondContact O-CB 3.25Å; T200-C347 HydrophobicContact CG2-CB 4.2Å; T200-C347 WeakPolarHBondContact O-CB 3.4Å; T200-C347 PolarHBondContact O-N 2.85Å; T200-E348 PolarHBondContact OG1-OE1 2.87Å; T200-E348 VanDerWaalsContact OG1-OE1 3.13Å
201	K	98.3	Very high	98.1	Very high	155 Å²	155	26 Å²	26	67%	0.674	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-5.7	-174.6	-64.6	-177.6	-179.6	176.7	0	113.8	D199 P203 T346 E348	D199-K201 VanDerWaalsContact C-N 3.34Å; D199-K201 PolarHBondContact O-N 3.22Å; K201-P203 WeakPolarHBondContact O-CD 3.44Å; K201-T346 WeakPolarHBondContact O-CG2 3.25Å; K201-E348 VanDerWaalsContact CE-OE1 3.24Å; K201-E348 WeakPolarHBondContact CE-OE1 3.18Å; K201-E348 WeakPolarHBondContact CG-OE1 3.41Å
202	V	98.4	Very high	98.1	Very high	47 Å²	47	24.2 Å²	24.2	29%	0.285	14%	0.136	S	C	.	.	S	Bend	trans	-70.9	125.4	177.2	-177.4	0	0	0	0	108	F178 D199 W424	F178-V202 HydrophobicContact CE1-CG1 4.49Å; D199-V202 HydrophobicContact CB-CG2 4.13Å; V202-W424 HydrophobicContact CB-CH2 3.95Å; V202-W424 HydrophobicContact CB-CZ3 3.66Å; V202-W424 HydrophobicContact CG1-CH2 3.59Å; V202-W424 HydrophobicContact CG1-CZ3 3.86Å; V202-W424 HydrophobicContact CG2-CZ3 4.35Å
203	P	98.3	Very high	98.1	Very high	51 Å²	51	24.2 Å²	24.2	33%	0.331	14%	0.136	S	C	.	.			trans	-74.1	141.2	176	30.2	-33.8	0	0	0	110.8	K201 Y293 V345	K201-P203 WeakPolarHBondContact O-CD 3.44Å; P203-Y293 HydrophobicContact CB-CD1 4.49Å; P203-Y293 HydrophobicContact CB-CE1 3.58Å; P203-V345 CarbonylContact C-O 3.53Å; P203-V345 VanDerWaalsContact CA-O 3.31Å; P203-V345 WeakPolarHBondContact CA-O 3.46Å
204	F	98.3	Very high	98.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	156.3	174.8	63.6	-89.6	0	0	0	110.7	F178 E344 V345 A408 M422 W424	F178-F204 HydrophobicContact CZ-CB 4.12Å; F204-E344 VanDerWaalsContact O-CA 3.32Å; F204-E344 WeakPolarHBondContact O-CA 3.45Å; F204-V345 HydrophobicContact CE2-CG2 4.1Å; F204-V345 HydrophobicContact CZ-CG2 4.04Å; F204-V345 PolarHBondContact N-O 3.08Å; F204-V345 PolarHBondContact O-N 3.35Å; F204-A408 HydrophobicContact CD2-CB 4.35Å; F204-M422 HydrophobicContact CZ-CG 4.18Å; F204-M422 HydrophobicContact CZ-SD 4.12Å; F204-W424 HydrophobicContact CB-CH2 4.49Å; F204-W424 HydrophobicContact CB-CZ2 3.67Å; F204-W424 HydrophobicContact CD1-CB 4.41Å; F204-W424 AromaticContact CD1-CD1 3.77Å; F204-W424 AromaticContact CD1-CD2 3.52Å; F204-W424 HydrophobicContact CD1-CD2 3.52Å; F204-W424 AromaticContact CD1-CE2 3.57Å; F204-W424 HydrophobicContact CD1-CE3 4.09Å; F204-W424 AromaticContact CD1-CG 3.65Å; F204-W424 HydrophobicContact CD1-CG 3.65Å; F204-W424 HydrophobicContact CD1-CZ2 4.13Å; F204-W424 AromaticContact CD1-NE1 3.76Å; F204-W424 AromaticContact CD2-CD1 3.62Å; F204-W424 HydrophobicContact CD2-CG 4.28Å; F204-W424 AromaticContact CD2-NE1 3.64Å; F204-W424 HydrophobicContact CE1-CB 3.78Å; F204-W424 AromaticContact CE1-CD1 3.81Å; F204-W424 AromaticContact CE1-CD2 3.81Å; F204-W424 HydrophobicContact CE1-CD2 3.81Å; F204-W424 HydrophobicContact CE1-CE3 4.4Å; F204-W424 AromaticContact CE1-CG 3.5Å; F204-W424 HydrophobicContact CE1-CG 3.5Å; F204-W424 AromaticContact CE2-CD1 3.67Å; F204-W424 HydrophobicContact CE2-CG 4.16Å; F204-W424 AromaticContact CG-CD1 3.68Å; F204-W424 HydrophobicContact CG-CD2 4Å; F204-W424 AromaticContact CG-CE2 3.57Å; F204-W424 HydrophobicContact CG-CG 4.05Å; F204-W424 HydrophobicContact CG-CZ2 4.08Å; F204-W424 AromaticContact CG-NE1 3.41Å; F204-W424 HydrophobicContact CZ-CB 3.89Å; F204-W424 AromaticContact CZ-CD1 3.77Å; F204-W424 AromaticContact CZ-CG 3.78Å; F204-W424 HydrophobicContact CZ-CG 3.78Å
205	C	97.8	Very high	98.1	Very high	3 Å²	3	23 Å²	23	2%	0.02	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	131.9	178.8	-58.7	0	0	0	0	111.3	Q207 T300 I343 A408	C205-Q207 HydrophobicContact CB-CG 4.07Å; C205-Q207 PolarHBondContact O-N 3.36Å; C205-T300 HydrophobicContact CB-CG2 4.43Å; C205-T300 PolarHBondContact SG-OG1 3.39Å; C205-I343 CarbonylContact C-O 3.59Å; C205-I343 WeakPolarHBondContact CA-O 3.49Å; C205-A408 WeakPolarHBondContact O-CB 3.5Å
206	L	96.8	Very high	98.1	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	12%	0.124	C	C	.	.			trans	-58.7	-34.1	177.2	-84.8	174.3	0	0	0	112.7	S208 C209 V210 L213 I343 V345 M422	L206-S208 PolarHBondContact O-N 2.68Å; L206-C209 HydrophobicContact CB-CB 4.43Å; L206-C209 HydrophobicContact CD2-CB 3.89Å; L206-C209 WeakPolarHBondContact O-CB 3.44Å; L206-C209 PolarHBondContact O-N 3.35Å; L206-V210 HydrophobicContact CB-CB 4.29Å; L206-V210 HydrophobicContact CD1-CB 4.39Å; L206-V210 HydrophobicContact CD1-CG2 4.32Å; L206-L213 HydrophobicContact CD1-CD1 4.41Å; L206-I343 HydrophobicContact CD1-CB 4.42Å; L206-I343 HydrophobicContact CD1-CG2 4.01Å; L206-I343 PolarHBondContact N-O 3.49Å; L206-V345 HydrophobicContact CD1-CG1 3.76Å; L206-V345 HydrophobicContact CD2-CB 4.38Å; L206-V345 HydrophobicContact CD2-CG1 4.06Å; L206-V345 HydrophobicContact CD2-CG2 3.45Å; L206-V345 VanDerWaalsContact CD2-CG2 3.45Å; L206-V345 HydrophobicContact CG-CB 4.34Å; L206-V345 HydrophobicContact CG-CG1 3.74Å; L206-V345 HydrophobicContact CG-CG2 3.68Å; L206-M422 HydrophobicContact CD2-CE 4.46Å
207	Q	96.8	Very high	98.1	Very high	6 Å²	6	19.5 Å²	19.5	3%	0.028	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	51.8	-131.9	-177.1	-67.7	-68.6	-3.3	0	0	110.7	C205 C209 V210 E304 C341 V407 A408	C205-Q207 HydrophobicContact CB-CG 4.07Å; C205-Q207 PolarHBondContact O-N 3.36Å; Q207-C209 PolarHBondContact O-N 2.8Å; Q207-C209 VanDerWaalsContact O-N 3.09Å; Q207-V210 VanDerWaalsContact O-CG1 3.24Å; Q207-V210 WeakPolarHBondContact O-CG1 3.34Å; Q207-V210 PolarHBondContact O-N 2.94Å; Q207-V210 VanDerWaalsContact O-N 3.12Å; Q207-E304 PolarHBondContact NE2-OE1 3.41Å; Q207-E304 PolarHBondContact OE1-OE1 3.3Å; Q207-C341 VanDerWaalsContact CA-O 3.3Å; Q207-C341 WeakPolarHBondContact CA-O 3.25Å; Q207-C341 PolarHBondContact N-O 3.48Å; Q207-V407 HydrophobicContact CB-CG2 3.89Å; Q207-V407 HydrophobicContact CG-CG2 3.83Å; Q207-A408 HydrophobicContact CB-CB 4.49Å; Q207-A408 HydrophobicContact CG-CB 3.84Å
208	S	97	Very high	98.1	Very high	9 Å²	9	18.4 Å²	18.4	6%	0.063	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-63.6	-13.2	179.9	-76.2	0	0	0	0	114.8	L206 V210 K211 Y389 K404 S405	L206-S208 PolarHBondContact O-N 2.68Å; S208-V210 PolarHBondContact O-N 3.4Å; S208-K211 WeakPolarHBondContact O-CB 3.33Å; S208-K211 WeakPolarHBondContact O-CG 3.32Å; S208-K211 PolarHBondContact O-N 3.23Å; S208-K211 WeakPolarHBondContact OG-CE 3.36Å; S208-K211 PolarHBondContact OG-NZ 2.73Å; S208-Y389 WeakPolarHBondContact CB-OH 3.35Å; S208-Y389 PolarHBondContact OG-OH 3.37Å; S208-K404 WeakPolarHBondContact O-CE 3.5Å; S208-K404 WeakPolarHBondContact O-CG 3.1Å; S208-S405 WeakPolarHBondContact CB-O 3.21Å
209	C	98.2	Very high	98.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-65.9	-15.7	172.7	-61.8	0	0	0	0	113	L206 Q207 K211 P212 K404 S405 G406 G410 L412	L206-C209 HydrophobicContact CB-CB 4.43Å; L206-C209 HydrophobicContact CD2-CB 3.89Å; L206-C209 WeakPolarHBondContact O-CB 3.44Å; L206-C209 PolarHBondContact O-N 3.35Å; Q207-C209 PolarHBondContact O-N 2.8Å; Q207-C209 VanDerWaalsContact O-N 3.09Å; C209-K211 VanDerWaalsContact C-N 3.32Å; C209-P212 WeakPolarHBondContact O-CD 3.36Å; C209-K404 PolarHBondContact SG-O 2.7Å; C209-S405 VanDerWaalsContact SG-C 3.57Å; C209-G406 PolarHBondContact SG-N 2.92Å; C209-G406 VanDerWaalsContact SG-N 3.36Å; C209-G410 PolarHBondContact SG-O 3.46Å; C209-L412 HydrophobicContact CB-CB 4.46Å
210	V	98.3	Very high	98.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-74.8	-20.9	175.3	81.8	0	0	0	0	113	L206 Q207 S208 L213 K214 M285 L340 I343	L206-V210 HydrophobicContact CB-CB 4.29Å; L206-V210 HydrophobicContact CD1-CB 4.39Å; L206-V210 HydrophobicContact CD1-CG2 4.32Å; Q207-V210 VanDerWaalsContact O-CG1 3.24Å; Q207-V210 WeakPolarHBondContact O-CG1 3.34Å; Q207-V210 PolarHBondContact O-N 2.94Å; Q207-V210 VanDerWaalsContact O-N 3.12Å; S208-V210 PolarHBondContact O-N 3.4Å; V210-L213 WeakPolarHBondContact O-CB 3.37Å; V210-L213 PolarHBondContact O-N 3.3Å; V210-L213 VanDerWaalsContact O-N 3.13Å; V210-K214 PolarHBondContact O-N 3.15Å; V210-M285 HydrophobicContact CG2-CE 3.51Å; V210-L340 HydrophobicContact CG1-CB 4.47Å; V210-I343 HydrophobicContact CG2-CD1 4.4Å
211	K	98.4	Very high	98	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.009	10%	0.096	C	C	.	.	H	α-helix	trans	-60.7	-45.1	-172.5	-63.3	175.2	175.1	163.3	0	114.3	S208 C209 L213 K214 Y215 M256 N258 A261	S208-K211 WeakPolarHBondContact O-CB 3.33Å; S208-K211 WeakPolarHBondContact O-CG 3.32Å; S208-K211 PolarHBondContact O-N 3.23Å; S208-K211 WeakPolarHBondContact OG-CE 3.36Å; S208-K211 PolarHBondContact OG-NZ 2.73Å; C209-K211 VanDerWaalsContact C-N 3.32Å; K211-L213 VanDerWaalsContact C-N 3.3Å; K211-L213 PolarHBondContact O-N 3.28Å; K211-K214 VanDerWaalsContact O-CG 3.23Å; K211-K214 WeakPolarHBondContact O-CG 3.28Å; K211-Y215 WeakPolarHBondContact O-CB 3.39Å; K211-Y215 PolarHBondContact O-N 3.27Å; K211-Y215 VanDerWaalsContact O-N 3.13Å; K211-M256 HydrophobicContact CB-SD 4.47Å; K211-M256 WeakPolarHBondContact CD-O 3.32Å; K211-M256 PolarHBondContact NZ-O 2.91Å; K211-N258 PolarHBondContact NZ-OD1 2.91Å; K211-A261 HydrophobicContact CB-CB 4.5Å; K211-A261 HydrophobicContact CD-CB 3.78Å; K211-A261 HydrophobicContact CG-CB 3.78Å
212	P	98.6	Very high	98	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-60.8	-40.5	173.4	-17.7	28.6	0	0	0	112.3	C209 Y215 A216 M256 T379 M383 K404	C209-P212 WeakPolarHBondContact O-CD 3.36Å; P212-Y215 PolarHBondContact O-N 3.18Å; P212-A216 WeakPolarHBondContact O-CB 3.34Å; P212-A216 PolarHBondContact O-N 3.39Å; P212-M256 HydrophobicContact CB-CE 3.85Å; P212-M256 HydrophobicContact CB-SD 4.25Å; P212-M256 HydrophobicContact CG-CE 3.98Å; P212-M256 HydrophobicContact CG-SD 3.71Å; P212-T379 HydrophobicContact CB-CG2 3.56Å; P212-T379 WeakPolarHBondContact O-CG2 3.33Å; P212-M383 HydrophobicContact CB-CG 3.82Å; P212-M383 HydrophobicContact CB-SD 3.64Å; P212-M383 HydrophobicContact CG-CG 3.83Å; P212-M383 HydrophobicContact CG-SD 3.97Å; P212-K404 HydrophobicContact CG-CB 3.59Å; P212-K404 HydrophobicContact CG-CD 3.97Å; P212-K404 HydrophobicContact CG-CG 3.64Å
213	L	98.3	Very high	97.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-66.1	-45.6	-176.2	-55.2	-178.8	0	0	0	111.4	L206 V210 K211 Y215 A216 I217 M285 L288 M353 L357 L412	L206-L213 HydrophobicContact CD1-CD1 4.41Å; V210-L213 WeakPolarHBondContact O-CB 3.37Å; V210-L213 PolarHBondContact O-N 3.3Å; V210-L213 VanDerWaalsContact O-N 3.13Å; K211-L213 VanDerWaalsContact C-N 3.3Å; K211-L213 PolarHBondContact O-N 3.28Å; L213-Y215 PolarHBondContact O-N 3.42Å; L213-A216 WeakPolarHBondContact O-CB 3.26Å; L213-A216 PolarHBondContact O-N 2.94Å; L213-I217 WeakPolarHBondContact O-CG1 3.46Å; L213-I217 PolarHBondContact O-N 3.41Å; L213-M285 HydrophobicContact CB-CE 3.75Å; L213-M285 HydrophobicContact CB-SD 4.12Å; L213-M285 HydrophobicContact CD1-CE 4.06Å; L213-M285 HydrophobicContact CD1-SD 3.62Å; L213-M285 HydrophobicContact CG-SD 4.5Å; L213-L288 HydrophobicContact CD2-CD1 4.28Å; L213-M353 HydrophobicContact CD1-SD 3.88Å; L213-L357 HydrophobicContact CD2-CD1 4.11Å; L213-L412 HydrophobicContact CD2-CD2 4.32Å
214	K	97.1	Very high	97.9	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-67.6	-34.5	176.5	69.1	179.6	-177.1	175.6	0	113.2	V210 K211 I217 A218 A261 T265 I268 Y337 L340	V210-K214 PolarHBondContact O-N 3.15Å; K211-K214 VanDerWaalsContact O-CG 3.23Å; K211-K214 WeakPolarHBondContact O-CG 3.28Å; K214-I217 PolarHBondContact O-N 2.76Å; K214-A218 PolarHBondContact O-N 2.88Å; K214-A261 VanDerWaalsContact CE-O 3.27Å; K214-A261 WeakPolarHBondContact CE-O 3.31Å; K214-A261 VanDerWaalsContact NZ-C 3.34Å; K214-A261 PolarHBondContact NZ-O 3.1Å; K214-T265 PolarHBondContact NZ-OG1 3.42Å; K214-I268 HydrophobicContact CB-CD1 4.03Å; K214-Y337 VanDerWaalsContact NZ-CD2 3.31Å; K214-L340 HydrophobicContact CD-CD1 4.21Å
215	Y	98.6	Very high	97.9	Very high	1 Å²	1	17.8 Å²	17.8	0%	0.004	9%	0.093	C	C	.	.	H	α-helix	trans	-64.3	-42.6	172.4	169.5	-102.1	0	0	0	111.4	K211 P212 L213 I217 A218 V219 V227 H228 P255 C264 N378 T379 L382	K211-Y215 WeakPolarHBondContact O-CB 3.39Å; K211-Y215 PolarHBondContact O-N 3.27Å; K211-Y215 VanDerWaalsContact O-N 3.13Å; P212-Y215 PolarHBondContact O-N 3.18Å; L213-Y215 PolarHBondContact O-N 3.42Å; Y215-I217 VanDerWaalsContact C-N 3.32Å; Y215-I217 PolarHBondContact O-N 3.18Å; Y215-A218 PolarHBondContact O-N 3.47Å; Y215-V219 HydrophobicContact CD2-CG2 4.05Å; Y215-V219 HydrophobicContact CE1-CG2 4.02Å; Y215-V219 HydrophobicContact CE2-CG2 3.51Å; Y215-V219 VanDerWaalsContact CZ-CG2 3.49Å; Y215-V219 WeakPolarHBondContact O-CG2 3.4Å; Y215-V219 PolarHBondContact O-N 3.01Å; Y215-V227 HydrophobicContact CD2-CG1 4.14Å; Y215-V227 HydrophobicContact CE2-CG1 3.83Å; Y215-H228 AromaticContact CE2-CE1 3.95Å; Y215-H228 AromaticContact CE2-NE2 3.69Å; Y215-H228 AromaticContact CZ-NE2 3.59Å; Y215-H228 PolarHBondContact OH-NE2 3.39Å; Y215-P255 HydrophobicContact CD1-CG 4.24Å; Y215-P255 HydrophobicContact CD2-CB 3.73Å; Y215-P255 HydrophobicContact CD2-CG 3.56Å; Y215-P255 HydrophobicContact CE2-CG 3.94Å; Y215-P255 HydrophobicContact CG-CB 3.92Å; Y215-P255 HydrophobicContact CG-CG 3.7Å; Y215-C264 VanDerWaalsContact CA-SG 3.53Å; Y215-N378 HydrophobicContact CE1-CB 3.97Å; Y215-N378 WeakPolarHBondContact OH-CB 3.49Å; Y215-T379 HydrophobicContact CD1-CG2 4.42Å; Y215-T379 VanDerWaalsContact CD1-OG1 3.31Å; Y215-T379 WeakPolarHBondContact CD1-OG1 3.19Å; Y215-L382 HydrophobicContact CD1-CD1 4.25Å; Y215-L382 HydrophobicContact CE1-CD1 3.59Å; Y215-L382 HydrophobicContact CE2-CD1 4.13Å
216	A	98.6	Very high	97.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60	-42.2	174.8	0	0	0	0	0	111.8	P212 L213 V219 H220 L371 A375 T379	P212-A216 WeakPolarHBondContact O-CB 3.34Å; P212-A216 PolarHBondContact O-N 3.39Å; L213-A216 WeakPolarHBondContact O-CB 3.26Å; L213-A216 PolarHBondContact O-N 2.94Å; A216-V219 PolarHBondContact O-N 3.36Å; A216-H220 WeakPolarHBondContact O-CB 3.33Å; A216-H220 PolarHBondContact O-N 3.22Å; A216-L371 HydrophobicContact CB-CD1 3.79Å; A216-L371 HydrophobicContact CB-CD2 4.1Å; A216-A375 WeakPolarHBondContact O-CB 3.48Å; A216-T379 HydrophobicContact CB-CG2 4.42Å; A216-T379 WeakPolarHBondContact CB-OG1 3.47Å
217	I	98.4	Very high	97.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.9	-47.3	175.1	-64.7	165.1	0	0	0	110.6	L213 K214 Y215 V219 H220 D221 Y280 V281 F284	L213-I217 WeakPolarHBondContact O-CG1 3.46Å; L213-I217 PolarHBondContact O-N 3.41Å; K214-I217 PolarHBondContact O-N 2.76Å; Y215-I217 VanDerWaalsContact C-N 3.32Å; Y215-I217 PolarHBondContact O-N 3.18Å; I217-V219 PolarHBondContact O-N 3.02Å; I217-H220 WeakPolarHBondContact O-CB 3.24Å; I217-H220 PolarHBondContact O-N 2.9Å; I217-H220 VanDerWaalsContact O-N 3.16Å; I217-D221 PolarHBondContact O-N 3.4Å; I217-Y280 HydrophobicContact CG2-CE1 3.92Å; I217-V281 HydrophobicContact CD1-CG1 4.2Å; I217-F284 HydrophobicContact CD1-CB 3.66Å; I217-F284 HydrophobicContact CD1-CD1 4.41Å; I217-F284 HydrophobicContact CD1-CG 4.08Å; I217-F284 HydrophobicContact CG1-CB 4.08Å; I217-F284 HydrophobicContact CG1-CD1 3.87Å; I217-F284 HydrophobicContact CG1-CG 4Å
218	A	98.3	Very high	97.8	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.4	-42.3	179.7	0	0	0	0	0	112.6	K214 Y215 D221 H222 V227 L267	K214-A218 PolarHBondContact O-N 2.88Å; Y215-A218 PolarHBondContact O-N 3.47Å; A218-D221 PolarHBondContact O-N 3.37Å; A218-H222 WeakPolarHBondContact O-CB 3.49Å; A218-H222 PolarHBondContact O-CD2 2.87Å; A218-H222 PolarHBondContact O-N 3.43Å; A218-V227 HydrophobicContact CB-CG2 4.12Å; A218-V227 WeakPolarHBondContact O-CG2 3.46Å; A218-L267 HydrophobicContact CB-CB 4.48Å
219	V	98.5	Very high	97.7	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-70.9	-33.3	176	177	0	0	0	0	111.5	Y215 A216 I217 D221 G223 V227 A375	Y215-V219 HydrophobicContact CD2-CG2 4.05Å; Y215-V219 HydrophobicContact CE1-CG2 4.02Å; Y215-V219 HydrophobicContact CE2-CG2 3.51Å; Y215-V219 VanDerWaalsContact CZ-CG2 3.49Å; Y215-V219 WeakPolarHBondContact O-CG2 3.4Å; Y215-V219 PolarHBondContact O-N 3.01Å; A216-V219 PolarHBondContact O-N 3.36Å; I217-V219 PolarHBondContact O-N 3.02Å; V219-D221 VanDerWaalsContact C-N 3.33Å; V219-G223 WeakPolarHBondContact O-CA 3.41Å; V219-G223 PolarHBondContact O-N 3.49Å; V219-V227 HydrophobicContact CG2-CB 4.17Å; V219-V227 HydrophobicContact CG2-CG1 4.14Å; V219-V227 HydrophobicContact CG2-CG2 4.02Å; V219-A375 HydrophobicContact CB-CB 3.88Å; V219-A375 HydrophobicContact CG1-CB 3.81Å
220	H	98.1	Very high	97.6	Very high	68 Å²	68	29.6 Å²	29.6	32%	0.315	14%	0.138	S	C	.	.	H	α-helix	trans	-61.8	-42.8	174.9	177.2	71.8	0	0	0	111.7	A216 I217 F284 L371 S372 A375	A216-H220 WeakPolarHBondContact O-CB 3.33Å; A216-H220 PolarHBondContact O-N 3.22Å; I217-H220 WeakPolarHBondContact O-CB 3.24Å; I217-H220 PolarHBondContact O-N 2.9Å; I217-H220 VanDerWaalsContact O-N 3.16Å; H220-F284 AromaticContact CD2-CE1 3.81Å; H220-F284 AromaticContact CD2-CZ 3.75Å; H220-L371 HydrophobicContact CB-CD2 4.04Å; H220-S372 PolarHBondContact ND1-N 3.46Å; H220-A375 HydrophobicContact CB-CB 4.28Å
221	D	97.2	Very high	97.4	Very high	53 Å²	53	29.6 Å²	29.6	28%	0.283	14%	0.138	S	C	.	.	H	α-helix	trans	-78.7	-39.5	-176.8	-71.3	-9	0	0	0	113	I217 A218 V219 Y280	I217-D221 PolarHBondContact O-N 3.4Å; A218-D221 PolarHBondContact O-N 3.37Å; V219-D221 VanDerWaalsContact C-N 3.33Å; D221-Y280 PolarHBondContact OD1-OH 3.33Å; D221-Y280 VanDerWaalsContact OD2-CE1 3.28Å; D221-Y280 WeakPolarHBondContact OD2-CE1 3.27Å; D221-Y280 PolarHBondContact OD2-OH 3.02Å
222	H	97.1	Very high	97.2	Very high	70 Å²	70	30.1 Å²	30.1	32%	0.324	14%	0.144	S	C	.	.	H	α-helix	trans	-115.1	-10	-169	-60.1	-72.1	0	0	0	115	A218 Y226 V227 L267	A218-H222 WeakPolarHBondContact O-CB 3.49Å; A218-H222 PolarHBondContact O-CD2 2.87Å; A218-H222 PolarHBondContact O-N 3.43Å; H222-Y226 HydrophobicContact CB-CD1 3.52Å; H222-Y226 HydrophobicContact CB-CE1 4.26Å; H222-Y226 HydrophobicContact CB-CG 4.12Å; H222-Y226 AromaticContact CG-CD1 3.85Å; H222-V227 HydrophobicContact CB-CG2 4.25Å; H222-L267 PolarHBondContact NE2-O 3.17Å
223	G	97.8	Very high	96.9	Very high	21 Å²	21	35.8 Å²	35.8	22%	0.216	17%	0.169	C	C	.	.	H	α-helix	trans	77.9	164.1	-172.8	0	0	0	0	0	113.7	V219 E225 V227	V219-G223 WeakPolarHBondContact O-CA 3.41Å; V219-G223 PolarHBondContact O-N 3.49Å; G223-E225 PolarHBondContact O-N 3.17Å; G223-V227 WeakPolarHBondContact O-CG2 3.29Å; G223-V227 PolarHBondContact O-N 2.92Å
224	T	97.8	Very high	96.4	Very high	23 Å²	23	42.6 Å²	42.6	14%	0.141	20%	0.201	C	C	.	.	H	α-helix	trans	-62.8	-41.4	-175.7	-59.6	0	0	0	0	112.7	H228 E374 N378	T224-H228 WeakPolarHBondContact O-CB 3.48Å; T224-H228 PolarHBondContact O-CD2 3.45Å; T224-H228 VanDerWaalsContact O-CD2 3.25Å; T224-H228 PolarHBondContact O-N 2.95Å; T224-H228 VanDerWaalsContact O-N 3.09Å; T224-E374 WeakPolarHBondContact CB-OE1 3.36Å; T224-E374 PolarHBondContact N-OE1 3.46Å; T224-E374 VanDerWaalsContact OG1-CD 3.3Å; T224-E374 WeakPolarHBondContact OG1-CG 3.41Å; T224-E374 PolarHBondContact OG1-OE1 3.29Å; T224-N378 WeakPolarHBondContact CG2-ND2 3.46Å; T224-N378 PolarHBondContact OG1-ND2 3.28Å
225	E	97.3	Very high	95.9	Very high	116 Å²	116	46 Å²	46	54%	0.542	22%	0.223	S	C	.	.	H	α-helix	trans	-63.9	-49.6	-171.2	-169.7	-82.2	157.3	0	0	110.9	G223 H228 R229	G223-E225 PolarHBondContact O-N 3.17Å; E225-H228 PolarHBondContact O-N 3.42Å; E225-R229 WeakPolarHBondContact O-CG 3.4Å; E225-R229 PolarHBondContact O-N 3.06Å; E225-R229 IonicContact OE1-CZ 2.81Å; E225-R229 IonicContact OE1-NE 3.76Å; E225-R229 PolarHBondContact OE1-NE 3.39Å; E225-R229 IonicContact OE1-NH2 2.61Å; E225-R229 PolarHBondContact OE1-NH2 2.95Å; E225-R229 IonicContact OE2-CZ 3.32Å; E225-R229 VanDerWaalsContact OE2-CZ 3.28Å; E225-R229 IonicContact OE2-NE 3.57Å; E225-R229 PolarHBondContact OE2-NE 3.44Å; E225-R229 IonicContact OE2-NH2 3.78Å; E225-R229 PolarHBondContact OE2-NH2 3.38Å
226	Y	97.3	Very high	94.9	Very high	54 Å²	54	47.6 Å²	47.6	21%	0.212	23%	0.234	C	C	.	.	H	α-helix	trans	-61.7	-49.4	178.4	-179.5	-94.9	0	0	0	112.6	H222 H228 R229 F230 L267 Q270	H222-Y226 HydrophobicContact CB-CD1 3.52Å; H222-Y226 HydrophobicContact CB-CE1 4.26Å; H222-Y226 HydrophobicContact CB-CG 4.12Å; H222-Y226 AromaticContact CG-CD1 3.85Å; Y226-H228 VanDerWaalsContact C-N 3.26Å; Y226-H228 PolarHBondContact O-N 2.9Å; Y226-R229 WeakPolarHBondContact O-CB 3.47Å; Y226-R229 PolarHBondContact O-N 3.23Å; Y226-R229 VanDerWaalsContact O-N 3.15Å; Y226-F230 HydrophobicContact CD1-CE2 4.46Å; Y226-F230 AromaticContact CE1-CE2 3.98Å; Y226-F230 HydrophobicContact CE1-CE2 3.98Å; Y226-F230 HydrophobicContact CE2-CE2 4.02Å; Y226-F230 AromaticContact CZ-CE2 3.73Å; Y226-F230 WeakPolarHBondContact O-CD2 3.49Å; Y226-L267 HydrophobicContact CE1-CD2 4.17Å; Y226-Q270 PolarHBondContact OH-NE2 3.43Å; Y226-Q270 PolarHBondContact OH-OE1 2.91Å
227	V	97.5	Very high	93.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-59.5	-40.2	-178.1	173.7	0	0	0	0	111.3	Y215 A218 V219 H222 G223 R229 F230 I231 L267	Y215-V227 HydrophobicContact CD2-CG1 4.14Å; Y215-V227 HydrophobicContact CE2-CG1 3.83Å; A218-V227 HydrophobicContact CB-CG2 4.12Å; A218-V227 WeakPolarHBondContact O-CG2 3.46Å; V219-V227 HydrophobicContact CG2-CB 4.17Å; V219-V227 HydrophobicContact CG2-CG1 4.14Å; V219-V227 HydrophobicContact CG2-CG2 4.02Å; H222-V227 HydrophobicContact CB-CG2 4.25Å; G223-V227 WeakPolarHBondContact O-CG2 3.29Å; G223-V227 PolarHBondContact O-N 2.92Å; V227-R229 VanDerWaalsContact C-N 3.29Å; V227-R229 PolarHBondContact O-N 3.05Å; V227-F230 PolarHBondContact O-N 3.4Å; V227-I231 HydrophobicContact CG1-CD1 4.34Å; V227-I231 PolarHBondContact O-N 3.19Å; V227-L267 HydrophobicContact CB-CD1 4.29Å; V227-L267 HydrophobicContact CG1-CD1 3.97Å; V227-L267 HydrophobicContact CG2-CD1 4.2Å
228	H	96.4	Very high	91.6	Very high	22 Å²	22	55.3 Å²	55.3	10%	0.102	29%	0.294	C	S	.	.	H	α-helix	trans	-82.8	0.8	-177.8	-75.9	-68.8	0	0	0	115.4	Y215 T224 E225 Y226 I231 G232 K233	Y215-H228 AromaticContact CE2-CE1 3.95Å; Y215-H228 AromaticContact CE2-NE2 3.69Å; Y215-H228 AromaticContact CZ-NE2 3.59Å; Y215-H228 PolarHBondContact OH-NE2 3.39Å; T224-H228 WeakPolarHBondContact O-CB 3.48Å; T224-H228 PolarHBondContact O-CD2 3.45Å; T224-H228 VanDerWaalsContact O-CD2 3.25Å; T224-H228 PolarHBondContact O-N 2.95Å; T224-H228 VanDerWaalsContact O-N 3.09Å; E225-H228 PolarHBondContact O-N 3.42Å; Y226-H228 VanDerWaalsContact C-N 3.26Å; Y226-H228 PolarHBondContact O-N 2.9Å; H228-I231 VanDerWaalsContact CA-O 3.27Å; H228-I231 WeakPolarHBondContact CA-O 2.99Å; H228-I231 PolarHBondContact ND1-O 3.33Å; H228-G232 PolarHBondContact CE1-O 2.87Å; H228-G232 PolarHBondContact ND1-O 2.84Å; H228-K233 WeakPolarHBondContact CD2-CE 3.32Å; H228-K233 WeakPolarHBondContact CE1-CG 3.48Å; H228-K233 VanDerWaalsContact ND1-CG 3.31Å; H228-K233 WeakPolarHBondContact ND1-CG 3.31Å
229	R	94.9	Very high	89.8	Confident	149 Å²	149	64.1 Å²	64.1	56%	0.562	33%	0.327	S	S	*	.	H	α-helix	trans	-66.5	-29.5	161.4	-66.5	175.5	-175	-179.5	3.5	111.5	E225 Y226 V227	E225-R229 WeakPolarHBondContact O-CG 3.4Å; E225-R229 PolarHBondContact O-N 3.06Å; E225-R229 IonicContact OE1-CZ 2.81Å; E225-R229 IonicContact OE1-NE 3.76Å; E225-R229 PolarHBondContact OE1-NE 3.39Å; E225-R229 IonicContact OE1-NH2 2.61Å; E225-R229 PolarHBondContact OE1-NH2 2.95Å; E225-R229 IonicContact OE2-CZ 3.32Å; E225-R229 VanDerWaalsContact OE2-CZ 3.28Å; E225-R229 IonicContact OE2-NE 3.57Å; E225-R229 PolarHBondContact OE2-NE 3.44Å; E225-R229 IonicContact OE2-NH2 3.78Å; E225-R229 PolarHBondContact OE2-NH2 3.38Å; Y226-R229 WeakPolarHBondContact O-CB 3.47Å; Y226-R229 PolarHBondContact O-N 3.23Å; Y226-R229 VanDerWaalsContact O-N 3.15Å; V227-R229 VanDerWaalsContact C-N 3.29Å; V227-R229 PolarHBondContact O-N 3.05Å
230	F	95	Very high	87.7	Confident	41 Å²	41	67.1 Å²	67.1	18%	0.18	34%	0.34	C	S	.	.	H	α-helix	trans	-104.2	-19.2	-175.6	-58.7	-85.3	0	0	0	114	Y226 V227 K251 P252 V263 L267 P325	Y226-F230 HydrophobicContact CD1-CE2 4.46Å; Y226-F230 AromaticContact CE1-CE2 3.98Å; Y226-F230 HydrophobicContact CE1-CE2 3.98Å; Y226-F230 HydrophobicContact CE2-CE2 4.02Å; Y226-F230 AromaticContact CZ-CE2 3.73Å; Y226-F230 WeakPolarHBondContact O-CD2 3.49Å; V227-F230 PolarHBondContact O-N 3.4Å; F230-K251 WeakPolarHBondContact O-CB 3.35Å; F230-P252 WeakPolarHBondContact O-CD 3.47Å; F230-V263 HydrophobicContact CB-CG1 3.67Å; F230-L267 HydrophobicContact CD2-CD1 4.48Å; F230-L267 HydrophobicContact CD2-CD2 3.81Å; F230-L267 HydrophobicContact CE2-CD2 4.1Å; F230-L267 HydrophobicContact CG-CD2 4.17Å; F230-P325 HydrophobicContact CE1-CB 4.42Å; F230-P325 HydrophobicContact CE1-CG 4.09Å; F230-P325 HydrophobicContact CZ-CB 4.4Å; F230-P325 HydrophobicContact CZ-CG 4.14Å
231	I	94.9	Very high	85.4	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.347	C	S	.	.	S	Bend	trans	-137.7	134.4	-173.1	-48.7	170.5	0	0	0	109.5	V227 H228 P255 G260 V263 C264 L267	V227-I231 HydrophobicContact CG1-CD1 4.34Å; V227-I231 PolarHBondContact O-N 3.19Å; H228-I231 VanDerWaalsContact CA-O 3.27Å; H228-I231 WeakPolarHBondContact CA-O 2.99Å; H228-I231 PolarHBondContact ND1-O 3.33Å; I231-P255 HydrophobicContact CG2-CB 4.47Å; I231-G260 WeakPolarHBondContact CD1-O 3.4Å; I231-V263 HydrophobicContact CD1-CB 4.32Å; I231-V263 HydrophobicContact CD1-CG1 4.1Å; I231-V263 HydrophobicContact CG1-CB 4.08Å; I231-V263 HydrophobicContact CG1-CG1 3.65Å; I231-C264 HydrophobicContact CD1-CB 3.64Å; I231-L267 HydrophobicContact CD1-CD1 4.35Å
232	G	93.4	Very high	83.6	Confident	13 Å²	13	71.4 Å²	71.4	13%	0.134	36%	0.36	C	S	.	.			trans	-68.4	-177.5	173.8	0	0	0	0	0	114.1	H228 P252 H253	H228-G232 PolarHBondContact CE1-O 2.87Å; H228-G232 PolarHBondContact ND1-O 2.84Å; G232-P252 WeakPolarHBondContact CA-O 3.42Å; G232-P252 PolarHBondContact N-O 3.45Å; G232-H253 CarbonylContact C-O 3.41Å; G232-H253 WeakPolarHBondContact CA-O 3.25Å
233	K	93.2	Very high	81.8	Confident	119 Å²	119	72.3 Å²	72.3	52%	0.517	37%	0.366	S	S	.	.			trans	-123.1	-3.5	-177.3	-66.4	172.8	-175.5	174.6	0	113.4	H228 H253 L382	H228-K233 WeakPolarHBondContact CD2-CE 3.32Å; H228-K233 WeakPolarHBondContact CE1-CG 3.48Å; H228-K233 VanDerWaalsContact ND1-CG 3.31Å; H228-K233 WeakPolarHBondContact ND1-CG 3.31Å; K233-H253 PolarHBondContact N-O 2.86Å; K233-H253 VanDerWaalsContact N-O 3.1Å; K233-L382 WeakPolarHBondContact O-CD2 3.44Å
234	E	87.9	Confident	80.1	Confident	144 Å²	144	76.7 Å²	76.7	67%	0.673	38%	0.379	S	S	*	.	S	Bend	trans	-109.2	151.2	-164.8	-67.4	-168.3	178.5	0	0	111.6	H253 N254	E234-H253 PolarHBondContact N-O 3.36Å; E234-H253 CarbonylContact O-C 3.58Å; E234-N254 PolarHBondContact O-ND2 3.36Å
235	P	86	Confident	79	Confident	72 Å²	72	76.1 Å²	76.1	47%	0.468	38%	0.376	S	S	.	.			trans	-61.6	150.2	168.2	28.8	-34.4	0	0	0	110	G237	P235-G237 VanDerWaalsContact C-N 3.28Å; P235-G237 PolarHBondContact O-N 2.82Å
236	S	76.6	Confident	77.8	Confident	33 Å²	33	71.7 Å²	71.7	23%	0.231	36%	0.355	C	S	.	.			trans	-71.4	-21.7	-179.9	50.4	0	0	0	0	113.5	L238	S236-L238 PolarHBondContact O-N 3.31Å; S236-L238 PolarHBondContact OG-O 2.8Å
237	G	67.7	Low	76.4	Confident	81 Å²	81	78.6 Å²	78.6	84%	0.835	39%	0.39	S	S	*	.	S	Bend	trans	62.5	-3	-171.2	0	0	0	0	0	114.8	P235	P235-G237 VanDerWaalsContact C-N 3.28Å; P235-G237 PolarHBondContact O-N 2.82Å
238	L	61.7	Low	75	Confident	82 Å²	82	84.6 Å²	84.6	43%	0.429	42%	0.422	S	S	.	.	S	Bend	trans	-121.2	153.6	-176.3	-64.2	172.5	0	0	0	109.7	S236 F240 F244	S236-L238 PolarHBondContact O-N 3.31Å; S236-L238 PolarHBondContact OG-O 2.8Å; L238-F240 PolarHBondContact O-N 3.48Å; L238-F244 HydrophobicContact CD1-CD2 3.76Å; L238-F244 HydrophobicContact CD1-CE2 4.16Å
239	R	60.3	Low	73.8	Confident	185 Å²	185	84.8 Å²	84.8	70%	0.698	43%	0.43	S	S	*	.			trans	-48.7	132.9	176.5	-67.5	-171.4	-177.6	175.4	-0.4	111	N241 K242 D390	R239-N241 PolarHBondContact O-N 3.45Å; R239-K242 PolarHBondContact O-N 3.49Å; R239-D390 WeakPolarHBondContact CA-OD1 3.35Å; R239-D390 WeakPolarHBondContact CA-OD2 3.33Å
240	F	53.8	Low	73.1	Confident	64 Å²	64	81.5 Å²	81.5	28%	0.281	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-14.8	-178.7	78.8	-84.1	0	0	0	113.9	L238 R310 Y389 D390	L238-F240 PolarHBondContact O-N 3.48Å; F240-R310 PolarHBondContact O-NH2 3.05Å; F240-Y389 HydrophobicContact CD2-CD1 4.15Å; F240-Y389 HydrophobicContact CE2-CD1 4.45Å; F240-Y389 HydrophobicContact CG-CD1 4.28Å; F240-D390 WeakPolarHBondContact CD1-OD1 3.41Å; F240-D390 PolarHBondContact N-OD1 3.21Å
241	N	50.5	Low	72.8	Confident	87 Å²	87	82 Å²	82	47%	0.465	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-10	179.2	-75.8	-20.5	0	0	0	115.7	R239 R310	R239-N241 PolarHBondContact O-N 3.45Å; N241-R310 VanDerWaalsContact CA-NH2 3.25Å; N241-R310 PolarHBondContact O-NH2 3.35Å; N241-R310 PolarHBondContact OD1-NH1 3.49Å
242	K	59	Low	72.7	Confident	124 Å²	124	82 Å²	82	54%	0.539	43%	0.425	S	S	.	.	S	Bend	trans	-90.2	137.8	-179.2	-62.5	-165.9	-179.4	-178.7	0	112.4	R239 F244	R239-K242 PolarHBondContact O-N 3.49Å; K242-F244 HydrophobicContact CB-CD2 3.64Å; K242-F244 HydrophobicContact CB-CE2 3.58Å; K242-F244 HydrophobicContact CD-CD2 4.44Å; K242-F244 HydrophobicContact CD-CE2 3.68Å; K242-F244 HydrophobicContact CG-CE2 4.25Å; K242-F244 PolarHBondContact O-N 3Å; K242-F244 VanDerWaalsContact O-N 3.14Å
243	L	58.4	Low	72.5	Confident	89 Å²	89	82.9 Å²	82.9	47%	0.466	43%	0.426	S	S	.	.			trans	-79.1	81.6	179.1	-71.1	161	0	0	0	109.8	I314	L243-I314 HydrophobicContact CD2-CD1 4.22Å; L243-I314 HydrophobicContact CD2-CG1 3.35Å
244	F	62.9	Low	72.5	Confident	112 Å²	112	77.3 Å²	77.3	49%	0.491	40%	0.402	S	S	.	.			trans	-130.7	142.5	174.8	-61.3	-58.7	0	0	0	113	L238 K242	L238-F244 HydrophobicContact CD1-CD2 3.76Å; L238-F244 HydrophobicContact CD1-CE2 4.16Å; K242-F244 HydrophobicContact CB-CD2 3.64Å; K242-F244 HydrophobicContact CB-CE2 3.58Å; K242-F244 HydrophobicContact CD-CD2 4.44Å; K242-F244 HydrophobicContact CD-CE2 3.68Å; K242-F244 HydrophobicContact CG-CE2 4.25Å; K242-F244 PolarHBondContact O-N 3Å; K242-F244 VanDerWaalsContact O-N 3.14Å
245	L	73.4	Confident	72.9	Confident	12 Å²	12	70.4 Å²	70.4	6%	0.063	37%	0.37	C	S	.	.			trans	-83.6	173.3	158.3	-62.3	170.1	0	0	0	107.7	G249 K251 P252 H253 Y317 L318 K321	L245-G249 WeakPolarHBondContact CD1-O 3.34Å; L245-K251 CarbonylContact C-O 3.51Å; L245-K251 WeakPolarHBondContact CA-O 3.01Å; L245-K251 WeakPolarHBondContact CB-O 3.41Å; L245-K251 VanDerWaalsContact CD2-C 3.44Å; L245-P252 HydrophobicContact CD2-CG 4.09Å; L245-H253 PolarHBondContact O-NE2 3.12Å; L245-Y317 HydrophobicContact CD1-CD1 4.46Å; L245-Y317 HydrophobicContact CD1-CE1 3.78Å; L245-Y317 HydrophobicContact CG-CE1 3.89Å; L245-L318 HydrophobicContact CD2-CD2 3.72Å; L245-K321 HydrophobicContact CD1-CB 3.97Å; L245-K321 HydrophobicContact CD1-CG 3.8Å
246	N	72.9	Confident	73.4	Confident	22 Å²	22	67.2 Å²	67.2	12%	0.118	35%	0.349	C	S	.	.			trans	-54.9	174	170.1	66	-33	0	0	0	112.8	D248 G249 D250 K251	N246-D248 WeakPolarHBondContact ND2-CB 3.45Å; N246-D248 PolarHBondContact ND2-OD2 2.8Å; N246-D248 PolarHBondContact O-N 3.08Å; N246-G249 WeakPolarHBondContact O-CA 3.3Å; N246-G249 PolarHBondContact O-N 3.45Å; N246-G249 PolarHBondContact OD1-N 3.04Å; N246-D250 PolarHBondContact ND2-OD1 3.42Å; N246-D250 PolarHBondContact OD1-N 2.92Å; N246-D250 VanDerWaalsContact OD1-N 3.16Å; N246-D250 PolarHBondContact OD1-OD1 2.85Å; N246-K251 HydrophobicContact CB-CG 4.4Å; N246-K251 PolarHBondContact N-O 3.47Å; N246-K251 WeakPolarHBondContact ND2-CE 3.4Å; N246-K251 WeakPolarHBondContact ND2-CG 3.34Å; N246-K251 PolarHBondContact OD1-N 3.14Å; N246-K251 PolarHBondContact OD1-O 2.92Å
247	E	68.4	Low	74.1	Confident	200 Å²	200	67.3 Å²	67.3	94%	0.935	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-34.2	179.9	-63.7	-172.8	161.7	0	0	113.3	G249	E247-G249 PolarHBondContact O-N 3.14Å
248	D	67.6	Low	75.3	Confident	125 Å²	125	65.1 Å²	65.1	67%	0.668	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-11.7	175.7	-47.8	-53.9	0	0	0	113	N246 D250	N246-D248 WeakPolarHBondContact ND2-CB 3.45Å; N246-D248 PolarHBondContact ND2-OD2 2.8Å; N246-D248 PolarHBondContact O-N 3.08Å; D248-D250 VanDerWaalsContact C-N 3.27Å; D248-D250 WeakPolarHBondContact CB-OD1 3.47Å; D248-D250 PolarHBondContact O-N 2.88Å
249	G	71.1	Confident	76.8	Confident	27 Å²	27	62 Å²	62	28%	0.278	30%	0.303	S	S	.	.	S	Bend	trans	70.2	17.9	175.1	0	0	0	0	0	114.9	L245 N246 E247	L245-G249 WeakPolarHBondContact CD1-O 3.34Å; N246-G249 WeakPolarHBondContact O-CA 3.3Å; N246-G249 PolarHBondContact O-N 3.45Å; N246-G249 PolarHBondContact OD1-N 3.04Å; E247-G249 PolarHBondContact O-N 3.14Å
250	D	79.9	Confident	78.5	Confident	79 Å²	79	53.1 Å²	53.1	42%	0.422	27%	0.269	S	S	.	.	S	Bend	trans	-116.3	-17.9	-169.1	70.1	-21.4	0	0	0	114.1	N246 D248 C323	N246-D250 PolarHBondContact ND2-OD1 3.42Å; N246-D250 PolarHBondContact OD1-N 2.92Å; N246-D250 VanDerWaalsContact OD1-N 3.16Å; N246-D250 PolarHBondContact OD1-OD1 2.85Å; D248-D250 VanDerWaalsContact C-N 3.27Å; D248-D250 WeakPolarHBondContact CB-OD1 3.47Å; D248-D250 PolarHBondContact O-N 2.88Å; D250-C323 PolarHBondContact O-SG 3.24Å
251	K	89.3	Confident	80.5	Confident	51 Å²	51	50.1 Å²	50.1	22%	0.222	26%	0.256	C	S	.	.	S	Bend	trans	-147.4	151	-178.8	60.9	-159.5	157.2	-166.1	0	113.4	F230 L245 N246	F230-K251 WeakPolarHBondContact O-CB 3.35Å; L245-K251 CarbonylContact C-O 3.51Å; L245-K251 WeakPolarHBondContact CA-O 3.01Å; L245-K251 WeakPolarHBondContact CB-O 3.41Å; L245-K251 VanDerWaalsContact CD2-C 3.44Å; N246-K251 HydrophobicContact CB-CG 4.4Å; N246-K251 PolarHBondContact N-O 3.47Å; N246-K251 WeakPolarHBondContact ND2-CE 3.4Å; N246-K251 WeakPolarHBondContact ND2-CG 3.34Å; N246-K251 PolarHBondContact OD1-N 3.14Å; N246-K251 PolarHBondContact OD1-O 2.92Å
252	P	91.7	Very high	82.7	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.234	C	C	.	.			trans	-62.5	150.8	171.5	-21.7	34.1	0	0	0	112	F230 G232 L245 N254 A259 G260 V263 L318	F230-P252 WeakPolarHBondContact O-CD 3.47Å; G232-P252 WeakPolarHBondContact CA-O 3.42Å; G232-P252 PolarHBondContact N-O 3.45Å; L245-P252 HydrophobicContact CD2-CG 4.09Å; P252-N254 PolarHBondContact O-N 3.18Å; P252-A259 HydrophobicContact CB-CB 3.96Å; P252-A259 HydrophobicContact CG-CB 4.06Å; P252-G260 VanDerWaalsContact CB-CA 3.44Å; P252-G260 VanDerWaalsContact CB-N 3.3Å; P252-V263 HydrophobicContact CG-CB 4.4Å; P252-V263 HydrophobicContact CG-CG2 3.72Å; P252-L318 HydrophobicContact CG-CD2 3.83Å
253	H	90.7	Very high	84.5	Confident	32 Å²	32	40 Å²	40	15%	0.148	21%	0.208	C	C	.	.	S	Bend	trans	-57.9	-44	-177	-70.3	-79.2	0	0	0	114.8	G232 K233 E234 L245	G232-H253 CarbonylContact C-O 3.41Å; G232-H253 WeakPolarHBondContact CA-O 3.25Å; K233-H253 PolarHBondContact N-O 2.86Å; K233-H253 VanDerWaalsContact N-O 3.1Å; E234-H253 PolarHBondContact N-O 3.36Å; E234-H253 CarbonylContact O-C 3.58Å; L245-H253 PolarHBondContact O-NE2 3.12Å
254	N	93.7	Very high	86.4	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.011	19%	0.186	C	C	.	.			trans	-163.5	163.7	-176.4	61.3	72.4	0	0	0	110.7	E234 P252 M256 V257 G260 L382	E234-N254 PolarHBondContact O-ND2 3.36Å; P252-N254 PolarHBondContact O-N 3.18Å; N254-M256 PolarHBondContact O-N 2.8Å; N254-M256 WeakPolarHBondContact OD1-CA 3.41Å; N254-M256 WeakPolarHBondContact OD1-CB 3.19Å; N254-M256 PolarHBondContact OD1-N 3.18Å; N254-V257 WeakPolarHBondContact O-CG2 3.42Å; N254-V257 PolarHBondContact OD1-N 3.23Å; N254-G260 WeakPolarHBondContact O-CA 3.34Å; N254-L382 HydrophobicContact CB-CD2 4.47Å
255	P	95.9	Very high	88	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-8.4	179.7	29.2	-38.1	0	0	0	115	Y215 I231 L382	Y215-P255 HydrophobicContact CD1-CG 4.24Å; Y215-P255 HydrophobicContact CD2-CB 3.73Å; Y215-P255 HydrophobicContact CD2-CG 3.56Å; Y215-P255 HydrophobicContact CE2-CG 3.94Å; Y215-P255 HydrophobicContact CG-CB 3.92Å; Y215-P255 HydrophobicContact CG-CG 3.7Å; I231-P255 HydrophobicContact CG2-CB 4.47Å; P255-L382 HydrophobicContact CG-CD1 3.6Å
256	M	95.3	Very high	89.2	Confident	4 Å²	4	30 Å²	30	2%	0.02	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-20.7	-176.8	-56.8	-59.3	157.5	0	0	112.7	K211 P212 N254 L382 M383 C386 K404	K211-M256 HydrophobicContact CB-SD 4.47Å; K211-M256 WeakPolarHBondContact CD-O 3.32Å; K211-M256 PolarHBondContact NZ-O 2.91Å; P212-M256 HydrophobicContact CB-CE 3.85Å; P212-M256 HydrophobicContact CB-SD 4.25Å; P212-M256 HydrophobicContact CG-CE 3.98Å; P212-M256 HydrophobicContact CG-SD 3.71Å; N254-M256 PolarHBondContact O-N 2.8Å; N254-M256 WeakPolarHBondContact OD1-CA 3.41Å; N254-M256 WeakPolarHBondContact OD1-CB 3.19Å; N254-M256 PolarHBondContact OD1-N 3.18Å; M256-L382 HydrophobicContact CE-CB 3.88Å; M256-L382 HydrophobicContact CG-CB 4.47Å; M256-M383 HydrophobicContact CE-CG 4.08Å; M256-C386 HydrophobicContact CB-CB 3.86Å; M256-C386 WeakPolarHBondContact CB-O 3.45Å; M256-C386 HydrophobicContact CG-CB 3.9Å; M256-K404 HydrophobicContact SD-CD 3.83Å
257	V	92.4	Very high	90.3	Very high	35 Å²	35	29 Å²	29	21%	0.212	16%	0.155	C	C	.	.	S	Bend	trans	-83.9	158.7	169.7	-62.1	0	0	0	0	112	N254 A259 G260 A261	N254-V257 WeakPolarHBondContact O-CG2 3.42Å; N254-V257 PolarHBondContact OD1-N 3.23Å; V257-A259 PolarHBondContact O-N 2.68Å; V257-G260 PolarHBondContact O-N 3.49Å; V257-A261 WeakPolarHBondContact O-CB 3.45Å; V257-A261 PolarHBondContact O-N 3.22Å
258	N	93.4	Very high	91.7	Very high	35 Å²	35	19.5 Å²	19.5	19%	0.187	11%	0.111	C	C	.	.	H	α-helix	trans	-58.3	-44.7	-175.5	-69.2	12.9	0	0	0	112.7	K211 G260 A261 I262 N311 I314	K211-N258 PolarHBondContact NZ-OD1 2.91Å; N258-G260 PolarHBondContact O-N 2.94Å; N258-A261 WeakPolarHBondContact O-CB 3.44Å; N258-A261 PolarHBondContact O-N 3.43Å; N258-I262 VanDerWaalsContact O-CG1 3.29Å; N258-I262 WeakPolarHBondContact O-CG1 3.2Å; N258-I262 PolarHBondContact O-N 3.26Å; N258-N311 PolarHBondContact ND2-OD1 3.32Å; N258-I314 HydrophobicContact CB-CD1 4.1Å
259	A	93.1	Very high	93	Very high	16 Å²	16	17.7 Å²	17.7	13%	0.132	10%	0.097	C	C	.	.	H	α-helix	trans	-59.8	-49.5	-179.8	0	0	0	0	0	112.4	P252 V257 A261 I262 V263 I314 L318	P252-A259 HydrophobicContact CB-CB 3.96Å; P252-A259 HydrophobicContact CG-CB 4.06Å; V257-A259 PolarHBondContact O-N 2.68Å; A259-A261 VanDerWaalsContact C-N 3.29Å; A259-A261 PolarHBondContact O-N 3.22Å; A259-I262 PolarHBondContact O-N 2.86Å; A259-V263 WeakPolarHBondContact O-CG2 3.46Å; A259-V263 PolarHBondContact O-N 3.4Å; A259-I314 HydrophobicContact CB-CG2 3.72Å; A259-L318 HydrophobicContact CB-CD1 4.44Å
260	G	94.7	Very high	94	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-67	-33.3	177	0	0	0	0	0	112.5	I231 P252 N254 V257 N258 V263 C264	I231-G260 WeakPolarHBondContact CD1-O 3.4Å; P252-G260 VanDerWaalsContact CB-CA 3.44Å; P252-G260 VanDerWaalsContact CB-N 3.3Å; N254-G260 WeakPolarHBondContact O-CA 3.34Å; V257-G260 PolarHBondContact O-N 3.49Å; N258-G260 PolarHBondContact O-N 2.94Å; G260-V263 PolarHBondContact O-N 3.5Å; G260-C264 WeakPolarHBondContact O-CB 3.48Å; G260-C264 PolarHBondContact O-N 3.37Å
261	A	96.1	Very high	94.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.7	-38.8	174.4	0	0	0	0	0	112.3	K211 K214 V257 N258 A259 C264 T265 Y337	K211-A261 HydrophobicContact CB-CB 4.5Å; K211-A261 HydrophobicContact CD-CB 3.78Å; K211-A261 HydrophobicContact CG-CB 3.78Å; K214-A261 VanDerWaalsContact CE-O 3.27Å; K214-A261 WeakPolarHBondContact CE-O 3.31Å; K214-A261 VanDerWaalsContact NZ-C 3.34Å; K214-A261 PolarHBondContact NZ-O 3.1Å; V257-A261 WeakPolarHBondContact O-CB 3.45Å; V257-A261 PolarHBondContact O-N 3.22Å; N258-A261 WeakPolarHBondContact O-CB 3.44Å; N258-A261 PolarHBondContact O-N 3.43Å; A259-A261 VanDerWaalsContact C-N 3.29Å; A259-A261 PolarHBondContact O-N 3.22Å; A261-C264 PolarHBondContact O-N 3.44Å; A261-T265 PolarHBondContact O-N 3.11Å; A261-T265 PolarHBondContact O-OG1 2.85Å; A261-T265 VanDerWaalsContact O-OG1 3.08Å; A261-Y337 HydrophobicContact CB-CE2 3.82Å
262	I	96.8	Very high	94.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-66.8	-46.9	175.6	-69.7	160.9	0	0	0	110.2	N258 A259 C264 T265 S266 N311 I314 L318 F324 I333 L334 Y337	N258-I262 VanDerWaalsContact O-CG1 3.29Å; N258-I262 WeakPolarHBondContact O-CG1 3.2Å; N258-I262 PolarHBondContact O-N 3.26Å; A259-I262 PolarHBondContact O-N 2.86Å; I262-C264 VanDerWaalsContact C-N 3.31Å; I262-C264 PolarHBondContact O-N 3.43Å; I262-T265 WeakPolarHBondContact O-CB 3.47Å; I262-T265 PolarHBondContact O-N 3.22Å; I262-S266 PolarHBondContact O-N 2.92Å; I262-N311 HydrophobicContact CD1-CB 4.28Å; I262-I314 HydrophobicContact CD1-CB 4.3Å; I262-I314 HydrophobicContact CD1-CG2 3.8Å; I262-L318 HydrophobicContact CB-CD1 4.36Å; I262-L318 HydrophobicContact CG2-CD1 4.16Å; I262-F324 HydrophobicContact CG2-CE1 3.95Å; I262-F324 HydrophobicContact CG2-CZ 3.94Å; I262-I333 HydrophobicContact CG2-CG2 4.37Å; I262-L334 HydrophobicContact CD1-CD2 3.76Å; I262-L334 HydrophobicContact CG1-CD2 3.99Å; I262-L334 HydrophobicContact CG2-CD2 3.9Å; I262-Y337 HydrophobicContact CB-CD2 4.44Å; I262-Y337 HydrophobicContact CG1-CD1 4.24Å; I262-Y337 HydrophobicContact CG1-CD2 3.62Å; I262-Y337 HydrophobicContact CG1-CE1 4.43Å; I262-Y337 HydrophobicContact CG1-CE2 3.83Å; I262-Y337 HydrophobicContact CG1-CG 3.86Å
263	V	96.8	Very high	95	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.6	-43.6	174.2	176	0	0	0	0	110.8	F230 I231 P252 A259 G260 T265 S266 L318 C323 F324	F230-V263 HydrophobicContact CB-CG1 3.67Å; I231-V263 HydrophobicContact CD1-CB 4.32Å; I231-V263 HydrophobicContact CD1-CG1 4.1Å; I231-V263 HydrophobicContact CG1-CB 4.08Å; I231-V263 HydrophobicContact CG1-CG1 3.65Å; P252-V263 HydrophobicContact CG-CB 4.4Å; P252-V263 HydrophobicContact CG-CG2 3.72Å; A259-V263 WeakPolarHBondContact O-CG2 3.46Å; A259-V263 PolarHBondContact O-N 3.4Å; G260-V263 PolarHBondContact O-N 3.5Å; V263-T265 VanDerWaalsContact C-N 3.29Å; V263-T265 PolarHBondContact O-N 3.38Å; V263-S266 WeakPolarHBondContact O-CB 3.4Å; V263-S266 PolarHBondContact O-N 3.39Å; V263-S266 PolarHBondContact O-OG 3.05Å; V263-L318 HydrophobicContact CG2-CD1 3.83Å; V263-L318 HydrophobicContact CG2-CD2 3.96Å; V263-L318 HydrophobicContact CG2-CG 4.44Å; V263-C323 HydrophobicContact CG2-CB 4.25Å; V263-F324 HydrophobicContact CG2-CD1 4.49Å; V263-F324 HydrophobicContact CG2-CE1 4.2Å
264	C	97.3	Very high	95.2	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.007	15%	0.147	C	C	.	.	H	α-helix	trans	-59.3	-39.9	177	-178.8	0	0	0	0	112.2	Y215 I231 G260 A261 I262 S266 L267	Y215-C264 VanDerWaalsContact CA-SG 3.53Å; I231-C264 HydrophobicContact CD1-CB 3.64Å; G260-C264 WeakPolarHBondContact O-CB 3.48Å; G260-C264 PolarHBondContact O-N 3.37Å; A261-C264 PolarHBondContact O-N 3.44Å; I262-C264 VanDerWaalsContact C-N 3.31Å; I262-C264 PolarHBondContact O-N 3.43Å; C264-S266 VanDerWaalsContact C-N 3.26Å; C264-S266 PolarHBondContact O-N 3.36Å; C264-L267 WeakPolarHBondContact O-CB 3.29Å; C264-L267 PolarHBondContact O-N 2.97Å; C264-L267 VanDerWaalsContact O-N 3.1Å
265	T	97.9	Very high	95.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.1	-34.1	175.2	-66.7	0	0	0	0	112.2	K214 A261 I262 V263 L267 I268 I333 F336 L340	K214-T265 PolarHBondContact NZ-OG1 3.42Å; A261-T265 PolarHBondContact O-N 3.11Å; A261-T265 PolarHBondContact O-OG1 2.85Å; A261-T265 VanDerWaalsContact O-OG1 3.08Å; I262-T265 WeakPolarHBondContact O-CB 3.47Å; I262-T265 PolarHBondContact O-N 3.22Å; V263-T265 VanDerWaalsContact C-N 3.29Å; V263-T265 PolarHBondContact O-N 3.38Å; T265-L267 PolarHBondContact O-N 2.89Å; T265-I268 PolarHBondContact O-N 3.4Å; T265-I333 HydrophobicContact CG2-CG2 4.13Å; T265-F336 HydrophobicContact CG2-CB 4.16Å; T265-F336 HydrophobicContact CG2-CD1 3.27Å; T265-F336 HydrophobicContact CG2-CE1 3.84Å; T265-F336 HydrophobicContact CG2-CG 3.94Å; T265-L340 HydrophobicContact CG2-CD1 4.26Å
266	S	97.4	Very high	95.4	Very high	2 Å²	2	31 Å²	31	1%	0.014	20%	0.198	C	C	.	.	H	α-helix	trans	-66.3	-22	176	79	0	0	0	0	114	I262 V263 C264 P325	I262-S266 PolarHBondContact O-N 2.92Å; V263-S266 WeakPolarHBondContact O-CB 3.4Å; V263-S266 PolarHBondContact O-N 3.39Å; V263-S266 PolarHBondContact O-OG 3.05Å; C264-S266 VanDerWaalsContact C-N 3.26Å; C264-S266 PolarHBondContact O-N 3.36Å; S266-P325 VanDerWaalsContact OG-CD 3.23Å; S266-P325 WeakPolarHBondContact OG-CD 3.16Å
267	L	97.6	Very high	95.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-81.6	-19.6	-177.2	-55.1	179.5	0	0	0	112.5	A218 H222 Y226 V227 F230 I231 C264 T265 K269 P325	A218-L267 HydrophobicContact CB-CB 4.48Å; H222-L267 PolarHBondContact NE2-O 3.17Å; Y226-L267 HydrophobicContact CE1-CD2 4.17Å; V227-L267 HydrophobicContact CB-CD1 4.29Å; V227-L267 HydrophobicContact CG1-CD1 3.97Å; V227-L267 HydrophobicContact CG2-CD1 4.2Å; F230-L267 HydrophobicContact CD2-CD1 4.48Å; F230-L267 HydrophobicContact CD2-CD2 3.81Å; F230-L267 HydrophobicContact CE2-CD2 4.1Å; F230-L267 HydrophobicContact CG-CD2 4.17Å; I231-L267 HydrophobicContact CD1-CD1 4.35Å; C264-L267 WeakPolarHBondContact O-CB 3.29Å; C264-L267 PolarHBondContact O-N 2.97Å; C264-L267 VanDerWaalsContact O-N 3.1Å; T265-L267 PolarHBondContact O-N 2.89Å; L267-K269 PolarHBondContact O-N 3.45Å; L267-P325 HydrophobicContact CD2-CG 3.54Å
268	I	97.2	Very high	95.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	122	-174	-60.9	172.3	0	0	0	110	K214 T265 Q270 K277 Y280 V281 F336	K214-I268 HydrophobicContact CB-CD1 4.03Å; T265-I268 PolarHBondContact O-N 3.4Å; I268-Q270 PolarHBondContact O-N 3.36Å; I268-K277 WeakPolarHBondContact O-CE 3.3Å; I268-Y280 HydrophobicContact CG2-CD1 4.03Å; I268-Y280 HydrophobicContact CG2-CE1 4.38Å; I268-V281 HydrophobicContact CD1-CG2 4.2Å; I268-V281 HydrophobicContact CG2-CG2 3.97Å; I268-F336 HydrophobicContact CB-CE1 4.43Å
269	K	94.9	Very high	96	Very high	87 Å²	87	34.4 Å²	34.4	38%	0.378	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.2	59.7	175.1	-72.3	-69.8	-177.9	-174.4	0	112.5	L267 A272 K277 Y280	L267-K269 PolarHBondContact O-N 3.45Å; K269-A272 HydrophobicContact CB-CB 4.26Å; K269-A272 WeakPolarHBondContact O-CB 3.33Å; K269-A272 PolarHBondContact O-N 3.03Å; K269-K277 HydrophobicContact CB-CG 3.99Å; K269-K277 WeakPolarHBondContact O-CE 3.46Å; K269-Y280 HydrophobicContact CD-CD1 4.35Å; K269-Y280 HydrophobicContact CD-CD2 4.4Å; K269-Y280 HydrophobicContact CD-CE1 4.34Å; K269-Y280 HydrophobicContact CD-CE2 4.41Å; K269-Y280 HydrophobicContact CD-CG 4.35Å; K269-Y280 HydrophobicContact CG-CD1 3.5Å; K269-Y280 HydrophobicContact CG-CD2 4.27Å; K269-Y280 HydrophobicContact CG-CE1 3.8Å; K269-Y280 HydrophobicContact CG-CG 3.74Å
270	Q	92.9	Very high	96.2	Very high	84 Å²	84	35.6 Å²	35.6	39%	0.393	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	140.1	176.8	-63.3	176.7	15.9	0	0	111.2	Y226 I268 A272	Y226-Q270 PolarHBondContact OH-NE2 3.43Å; Y226-Q270 PolarHBondContact OH-OE1 2.91Å; I268-Q270 PolarHBondContact O-N 3.36Å; Q270-A272 VanDerWaalsContact C-N 3.28Å; Q270-A272 PolarHBondContact O-N 3.26Å
271	G	90.3	Very high	96.4	Very high	89 Å²	89	35.6 Å²	35.6	92%	0.918	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	83	-14.3	-177.1	0	0	0	0	0	115.9
272	A	94.5	Very high	96.5	Very high	31 Å²	31	36.7 Å²	36.7	26%	0.256	22%	0.219	S	C	.	.	S	Bend	trans	-84.6	159.8	175.4	0	0	0	0	0	112.6	K269 Q270 E276 K277	K269-A272 HydrophobicContact CB-CB 4.26Å; K269-A272 WeakPolarHBondContact O-CB 3.33Å; K269-A272 PolarHBondContact O-N 3.03Å; Q270-A272 VanDerWaalsContact C-N 3.28Å; Q270-A272 PolarHBondContact O-N 3.26Å; A272-E276 HydrophobicContact CB-CB 4.18Å; A272-K277 HydrophobicContact CB-CG 4.22Å; A272-K277 WeakPolarHBondContact O-CE 3.37Å; A272-K277 PolarHBondContact O-NZ 3.46Å
273	S	96.1	Very high	96.5	Very high	57 Å²	57	41.2 Å²	41.2	40%	0.399	24%	0.243	S	C	.	.			trans	-69.7	158.9	172.3	68	0	0	0	0	111.8	A275 E276 K277	S273-A275 PolarHBondContact O-N 3.29Å; S273-E276 WeakPolarHBondContact CB-OE2 3.49Å; S273-E276 PolarHBondContact N-OE2 2.61Å; S273-E276 PolarHBondContact O-N 2.84Å; S273-E276 VanDerWaalsContact OG-CD 3.31Å; S273-E276 WeakPolarHBondContact OG-CG 3.41Å; S273-E276 PolarHBondContact OG-N 3.13Å; S273-E276 PolarHBondContact OG-OE2 3.09Å; S273-K277 VanDerWaalsContact O-CG 3.3Å; S273-K277 WeakPolarHBondContact O-CG 3.38Å; S273-K277 PolarHBondContact O-N 3.04Å
274	N	94.6	Very high	96.6	Very high	32 Å²	32	42.2 Å²	42.2	17%	0.171	25%	0.248	C	C	.	.	H	α-helix	trans	-62.5	-31	178.4	-76.4	0.2	0	0	0	113.2	K277 F278 S332	N274-K277 PolarHBondContact O-N 2.86Å; N274-F278 VanDerWaalsContact O-CB 3.31Å; N274-F278 WeakPolarHBondContact O-CB 3.48Å; N274-F278 PolarHBondContact O-N 3.49Å; N274-S332 PolarHBondContact ND2-O 2.94Å; N274-S332 PolarHBondContact ND2-OG 3.47Å; N274-S332 PolarHBondContact OD1-OG 3.44Å
275	A	96	Very high	96.6	Very high	65 Å²	65	42.2 Å²	42.2	54%	0.537	25%	0.248	S	C	.	.	H	α-helix	trans	-63.7	-49.6	175.1	0	0	0	0	0	111.1	S273 K277 F278 D279	S273-A275 PolarHBondContact O-N 3.29Å; A275-K277 VanDerWaalsContact C-N 3.33Å; A275-K277 PolarHBondContact O-N 3.32Å; A275-F278 WeakPolarHBondContact O-CB 3.45Å; A275-F278 PolarHBondContact O-N 3.46Å; A275-F278 VanDerWaalsContact O-N 3.15Å; A275-D279 PolarHBondContact O-N 3.44Å
276	E	97.3	Very high	96.6	Very high	114 Å²	114	44.4 Å²	44.4	53%	0.533	26%	0.259	S	S	.	.	H	α-helix	trans	-64	-38.2	177.7	-67.5	164.2	136.2	0	0	112.1	A272 S273 F278 Y280	A272-E276 HydrophobicContact CB-CB 4.18Å; S273-E276 WeakPolarHBondContact CB-OE2 3.49Å; S273-E276 PolarHBondContact N-OE2 2.61Å; S273-E276 PolarHBondContact O-N 2.84Å; S273-E276 VanDerWaalsContact OG-CD 3.31Å; S273-E276 WeakPolarHBondContact OG-CG 3.41Å; S273-E276 PolarHBondContact OG-N 3.13Å; S273-E276 PolarHBondContact OG-OE2 3.09Å; E276-F278 VanDerWaalsContact C-N 3.33Å; E276-Y280 VanDerWaalsContact O-CB 3.31Å; E276-Y280 WeakPolarHBondContact O-CB 3.47Å; E276-Y280 PolarHBondContact O-N 3.35Å
277	K	97.9	Very high	96.7	Very high	16 Å²	16	48 Å²	48	7%	0.07	28%	0.275	C	S	.	.	H	α-helix	trans	-62.4	-41.5	173.9	-70.2	174.7	178.6	167.4	0	111.6	I268 K269 A272 S273 N274 A275 Y280 V281 F336	I268-K277 WeakPolarHBondContact O-CE 3.3Å; K269-K277 HydrophobicContact CB-CG 3.99Å; K269-K277 WeakPolarHBondContact O-CE 3.46Å; A272-K277 HydrophobicContact CB-CG 4.22Å; A272-K277 WeakPolarHBondContact O-CE 3.37Å; A272-K277 PolarHBondContact O-NZ 3.46Å; S273-K277 VanDerWaalsContact O-CG 3.3Å; S273-K277 WeakPolarHBondContact O-CG 3.38Å; S273-K277 PolarHBondContact O-N 3.04Å; N274-K277 PolarHBondContact O-N 2.86Å; A275-K277 VanDerWaalsContact C-N 3.33Å; A275-K277 PolarHBondContact O-N 3.32Å; K277-Y280 WeakPolarHBondContact O-CB 3.44Å; K277-Y280 PolarHBondContact O-N 3.49Å; K277-V281 WeakPolarHBondContact O-CG2 3.36Å; K277-V281 PolarHBondContact O-N 3.01Å; K277-F336 HydrophobicContact CB-CD1 4.26Å; K277-F336 HydrophobicContact CB-CE1 3.68Å; K277-F336 HydrophobicContact CB-CE2 4Å; K277-F336 HydrophobicContact CB-CZ 3.53Å; K277-F336 HydrophobicContact CD-CD1 4.06Å; K277-F336 HydrophobicContact CD-CE1 4.04Å; K277-F336 HydrophobicContact CG-CE1 4.36Å
278	F	97.8	Very high	96.7	Very high	31 Å²	31	48 Å²	48	14%	0.136	28%	0.275	C	S	.	.	H	α-helix	trans	-65.7	-48.1	178.3	-174.1	-98.3	0	0	0	111.5	N274 A275 E276 Y280 V281 M282 F296 F336 Q339 L340 I343	N274-F278 VanDerWaalsContact O-CB 3.31Å; N274-F278 WeakPolarHBondContact O-CB 3.48Å; N274-F278 PolarHBondContact O-N 3.49Å; A275-F278 WeakPolarHBondContact O-CB 3.45Å; A275-F278 PolarHBondContact O-N 3.46Å; A275-F278 VanDerWaalsContact O-N 3.15Å; E276-F278 VanDerWaalsContact C-N 3.33Å; F278-Y280 VanDerWaalsContact C-N 3.26Å; F278-Y280 PolarHBondContact O-N 3.13Å; F278-V281 PolarHBondContact O-N 3.13Å; F278-V281 VanDerWaalsContact O-N 3.17Å; F278-M282 HydrophobicContact CD1-CG 3.88Å; F278-M282 HydrophobicContact CE1-CG 3.5Å; F278-M282 HydrophobicContact CE1-SD 4.19Å; F278-M282 HydrophobicContact CE2-CG 4.25Å; F278-M282 HydrophobicContact CE2-SD 4.38Å; F278-M282 HydrophobicContact CG-CG 4.4Å; F278-M282 HydrophobicContact CZ-CG 3.71Å; F278-M282 HydrophobicContact CZ-SD 3.83Å; F278-M282 WeakPolarHBondContact O-CB 3.46Å; F278-M282 WeakPolarHBondContact O-CG 3.37Å; F278-M282 PolarHBondContact O-N 3.02Å; F278-F296 AromaticContact CE2-CD2 3.86Å; F278-F296 HydrophobicContact CE2-CD2 3.86Å; F278-F296 HydrophobicContact CE2-CE2 4.09Å; F278-F296 HydrophobicContact CZ-CB 4.09Å; F278-F296 AromaticContact CZ-CD2 3.59Å; F278-F296 HydrophobicContact CZ-CD2 3.59Å; F278-F296 HydrophobicContact CZ-CE2 4.16Å; F278-F296 AromaticContact CZ-CG 3.83Å; F278-F296 HydrophobicContact CZ-CG 3.83Å; F278-F336 HydrophobicContact CB-CE2 4.06Å; F278-F336 HydrophobicContact CD2-CE2 4.29Å; F278-Q339 HydrophobicContact CD2-CB 4.1Å; F278-Q339 HydrophobicContact CE2-CB 4.18Å; F278-L340 HydrophobicContact CD2-CD2 4.4Å; F278-I343 HydrophobicContact CE2-CG1 4.31Å
279	D	97.9	Very high	96.8	Very high	98 Å²	98	48 Å²	48	52%	0.524	28%	0.275	S	S	.	.	H	α-helix	trans	-59	-40	175.7	-71.3	-16.8	0	0	0	111.7	A275 M282 N283	A275-D279 PolarHBondContact O-N 3.44Å; D279-M282 PolarHBondContact O-N 2.61Å; D279-N283 WeakPolarHBondContact O-CB 3.23Å; D279-N283 PolarHBondContact O-N 2.96Å; D279-N283 PolarHBondContact O-ND2 3.16Å
280	Y	98.2	Very high	96.9	Very high	41 Å²	41	44.1 Å²	44.1	16%	0.161	26%	0.26	C	S	.	.	H	α-helix	trans	-60.2	-49.1	175.3	-177.8	-107.4	0	0	0	112.2	I217 D221 I268 K269 E276 K277 F278 N283 F284	I217-Y280 HydrophobicContact CG2-CE1 3.92Å; D221-Y280 PolarHBondContact OD1-OH 3.33Å; D221-Y280 VanDerWaalsContact OD2-CE1 3.28Å; D221-Y280 WeakPolarHBondContact OD2-CE1 3.27Å; D221-Y280 PolarHBondContact OD2-OH 3.02Å; I268-Y280 HydrophobicContact CG2-CD1 4.03Å; I268-Y280 HydrophobicContact CG2-CE1 4.38Å; K269-Y280 HydrophobicContact CD-CD1 4.35Å; K269-Y280 HydrophobicContact CD-CD2 4.4Å; K269-Y280 HydrophobicContact CD-CE1 4.34Å; K269-Y280 HydrophobicContact CD-CE2 4.41Å; K269-Y280 HydrophobicContact CD-CG 4.35Å; K269-Y280 HydrophobicContact CG-CD1 3.5Å; K269-Y280 HydrophobicContact CG-CD2 4.27Å; K269-Y280 HydrophobicContact CG-CE1 3.8Å; K269-Y280 HydrophobicContact CG-CG 3.74Å; E276-Y280 VanDerWaalsContact O-CB 3.31Å; E276-Y280 WeakPolarHBondContact O-CB 3.47Å; E276-Y280 PolarHBondContact O-N 3.35Å; K277-Y280 WeakPolarHBondContact O-CB 3.44Å; K277-Y280 PolarHBondContact O-N 3.49Å; F278-Y280 VanDerWaalsContact C-N 3.26Å; F278-Y280 PolarHBondContact O-N 3.13Å; Y280-N283 PolarHBondContact O-N 3.33Å; Y280-F284 HydrophobicContact CD1-CD2 4.46Å; Y280-F284 HydrophobicContact CD2-CD2 4.49Å; Y280-F284 HydrophobicContact CD2-CE2 4.35Å; Y280-F284 HydrophobicContact CE1-CD2 4.07Å; Y280-F284 AromaticContact CE1-CE2 3.86Å; Y280-F284 HydrophobicContact CE1-CE2 3.86Å; Y280-F284 HydrophobicContact CE2-CD2 4.09Å; Y280-F284 AromaticContact CE2-CE2 3.54Å; Y280-F284 HydrophobicContact CE2-CE2 3.54Å; Y280-F284 AromaticContact CZ-CD2 3.88Å; Y280-F284 AromaticContact CZ-CE2 3.26Å; Y280-F284 PolarHBondContact O-N 3.48Å; Y280-F284 VanDerWaalsContact OH-CE2 3.29Å; Y280-F284 WeakPolarHBondContact OH-CE2 3.41Å
281	V	98.2	Very high	97.1	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.9	-42.8	178.3	175	0	0	0	0	111	I217 I268 K277 F278 N283 F284 M285 F336 L340 I343	I217-V281 HydrophobicContact CD1-CG1 4.2Å; I268-V281 HydrophobicContact CD1-CG2 4.2Å; I268-V281 HydrophobicContact CG2-CG2 3.97Å; K277-V281 WeakPolarHBondContact O-CG2 3.36Å; K277-V281 PolarHBondContact O-N 3.01Å; F278-V281 PolarHBondContact O-N 3.13Å; F278-V281 VanDerWaalsContact O-N 3.17Å; V281-N283 VanDerWaalsContact C-N 3.29Å; V281-N283 PolarHBondContact O-N 3.47Å; V281-F284 WeakPolarHBondContact O-CB 3.18Å; V281-F284 PolarHBondContact O-N 2.82Å; V281-F284 VanDerWaalsContact O-N 3.08Å; V281-M285 HydrophobicContact CG1-CE 3.7Å; V281-M285 HydrophobicContact CG1-CG 4.1Å; V281-M285 VanDerWaalsContact O-CG 3.31Å; V281-M285 WeakPolarHBondContact O-CG 3.33Å; V281-M285 PolarHBondContact O-N 3.49Å; V281-F336 HydrophobicContact CG2-CZ 3.93Å; V281-L340 HydrophobicContact CB-CD2 3.97Å; V281-L340 HydrophobicContact CG1-CD2 3.64Å; V281-L340 HydrophobicContact CG2-CD2 4.2Å; V281-I343 HydrophobicContact CG1-CD1 4.41Å
282	M	98.1	Very high	97.4	Very high	23 Å²	23	44 Å²	44	11%	0.113	24%	0.239	C	C	.	.	H	α-helix	trans	-60.4	-38.4	177.2	-72.3	-61.7	-68.8	0	0	112	F278 D279 F284 M285 N286 V294 I343	F278-M282 HydrophobicContact CD1-CG 3.88Å; F278-M282 HydrophobicContact CE1-CG 3.5Å; F278-M282 HydrophobicContact CE1-SD 4.19Å; F278-M282 HydrophobicContact CE2-CG 4.25Å; F278-M282 HydrophobicContact CE2-SD 4.38Å; F278-M282 HydrophobicContact CG-CG 4.4Å; F278-M282 HydrophobicContact CZ-CG 3.71Å; F278-M282 HydrophobicContact CZ-SD 3.83Å; F278-M282 WeakPolarHBondContact O-CB 3.46Å; F278-M282 WeakPolarHBondContact O-CG 3.37Å; F278-M282 PolarHBondContact O-N 3.02Å; D279-M282 PolarHBondContact O-N 2.61Å; M282-F284 PolarHBondContact O-N 3.49Å; M282-M285 PolarHBondContact O-N 3.35Å; M282-N286 WeakPolarHBondContact O-CB 3.45Å; M282-N286 PolarHBondContact O-N 3.13Å; M282-N286 PolarHBondContact O-ND2 3.42Å; M282-V294 HydrophobicContact CE-CB 4.26Å; M282-V294 HydrophobicContact CE-CG1 3.6Å; M282-V294 HydrophobicContact SD-CG1 4.06Å; M282-I343 HydrophobicContact SD-CD1 3.98Å; M282-I343 HydrophobicContact SD-CG1 4.05Å; M282-I343 HydrophobicContact SD-CG2 4.36Å
283	N	98	Very high	97.6	Very high	94 Å²	94	47.1 Å²	47.1	50%	0.503	25%	0.245	S	C	.	.	H	α-helix	trans	-61.4	-42.5	173	-76.3	-26.1	0	0	0	112.1	D279 Y280 V281 K287	D279-N283 WeakPolarHBondContact O-CB 3.23Å; D279-N283 PolarHBondContact O-N 2.96Å; D279-N283 PolarHBondContact O-ND2 3.16Å; Y280-N283 PolarHBondContact O-N 3.33Å; V281-N283 VanDerWaalsContact C-N 3.29Å; V281-N283 PolarHBondContact O-N 3.47Å; N283-K287 WeakPolarHBondContact O-CG 3.45Å; N283-K287 PolarHBondContact O-N 3.35Å; N283-K287 VanDerWaalsContact O-N 3.1Å
284	F	97.9	Very high	97.7	Very high	22 Å²	22	45.2 Å²	45.2	10%	0.096	23%	0.231	C	C	.	.	H	α-helix	trans	-63.9	-44.9	173.3	-93.3	-94.5	0	0	0	112.2	I217 H220 Y280 V281 M282 N286 K287 L288 V370 L371	I217-F284 HydrophobicContact CD1-CB 3.66Å; I217-F284 HydrophobicContact CD1-CD1 4.41Å; I217-F284 HydrophobicContact CD1-CG 4.08Å; I217-F284 HydrophobicContact CG1-CB 4.08Å; I217-F284 HydrophobicContact CG1-CD1 3.87Å; I217-F284 HydrophobicContact CG1-CG 4Å; H220-F284 AromaticContact CD2-CE1 3.81Å; H220-F284 AromaticContact CD2-CZ 3.75Å; Y280-F284 HydrophobicContact CD1-CD2 4.46Å; Y280-F284 HydrophobicContact CD2-CD2 4.49Å; Y280-F284 HydrophobicContact CD2-CE2 4.35Å; Y280-F284 HydrophobicContact CE1-CD2 4.07Å; Y280-F284 AromaticContact CE1-CE2 3.86Å; Y280-F284 HydrophobicContact CE1-CE2 3.86Å; Y280-F284 HydrophobicContact CE2-CD2 4.09Å; Y280-F284 AromaticContact CE2-CE2 3.54Å; Y280-F284 HydrophobicContact CE2-CE2 3.54Å; Y280-F284 AromaticContact CZ-CD2 3.88Å; Y280-F284 AromaticContact CZ-CE2 3.26Å; Y280-F284 PolarHBondContact O-N 3.48Å; Y280-F284 VanDerWaalsContact OH-CE2 3.29Å; Y280-F284 WeakPolarHBondContact OH-CE2 3.41Å; V281-F284 WeakPolarHBondContact O-CB 3.18Å; V281-F284 PolarHBondContact O-N 2.82Å; V281-F284 VanDerWaalsContact O-N 3.08Å; M282-F284 PolarHBondContact O-N 3.49Å; F284-N286 VanDerWaalsContact C-N 3.34Å; F284-N286 PolarHBondContact O-N 3.26Å; F284-K287 PolarHBondContact O-N 3.35Å; F284-L288 WeakPolarHBondContact O-CB 3.26Å; F284-L288 VanDerWaalsContact O-CG 3.25Å; F284-L288 WeakPolarHBondContact O-CG 3.31Å; F284-L288 PolarHBondContact O-N 2.74Å; F284-V370 HydrophobicContact CD1-CG1 4.14Å; F284-V370 WeakPolarHBondContact CE1-O 3.4Å; F284-L371 HydrophobicContact CD1-CD2 4.37Å; F284-L371 HydrophobicContact CE1-CD2 4.3Å
285	M	98.2	Very high	97.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.7	-42.8	178.3	-64.6	-61.8	178.7	0	0	111.6	V210 L213 V281 M282 K287 L288 A289 V294 I343 M353	V210-M285 HydrophobicContact CG2-CE 3.51Å; L213-M285 HydrophobicContact CB-CE 3.75Å; L213-M285 HydrophobicContact CB-SD 4.12Å; L213-M285 HydrophobicContact CD1-CE 4.06Å; L213-M285 HydrophobicContact CD1-SD 3.62Å; L213-M285 HydrophobicContact CG-SD 4.5Å; V281-M285 HydrophobicContact CG1-CE 3.7Å; V281-M285 HydrophobicContact CG1-CG 4.1Å; V281-M285 VanDerWaalsContact O-CG 3.31Å; V281-M285 WeakPolarHBondContact O-CG 3.33Å; V281-M285 PolarHBondContact O-N 3.49Å; M282-M285 PolarHBondContact O-N 3.35Å; M285-K287 PolarHBondContact O-N 3.04Å; M285-L288 PolarHBondContact O-N 2.86Å; M285-L288 HydrophobicContact SD-CD1 4.28Å; M285-A289 WeakPolarHBondContact O-CB 3.44Å; M285-A289 PolarHBondContact O-N 3.27Å; M285-V294 HydrophobicContact CB-CG1 3.73Å; M285-V294 HydrophobicContact CB-CG2 4.36Å; M285-I343 HydrophobicContact CE-CD1 4.43Å; M285-I343 HydrophobicContact CG-CD1 4.47Å; M285-M353 HydrophobicContact CB-CE 4.2Å
286	N	98.3	Very high	98	Very high	46 Å²	46	44.2 Å²	44.2	25%	0.246	22%	0.217	C	C	.	.	H	α-helix	trans	-59.1	-47.3	174.7	-80.8	-53.1	0	0	0	111.5	M282 F284 L288 A289 G290 N291	M282-N286 WeakPolarHBondContact O-CB 3.45Å; M282-N286 PolarHBondContact O-N 3.13Å; M282-N286 PolarHBondContact O-ND2 3.42Å; F284-N286 VanDerWaalsContact C-N 3.34Å; F284-N286 PolarHBondContact O-N 3.26Å; N286-L288 PolarHBondContact O-N 2.84Å; N286-A289 CarbonylContact O-C 3.47Å; N286-A289 PolarHBondContact O-N 2.95Å; N286-G290 PolarHBondContact O-N 3.1Å; N286-N291 PolarHBondContact O-N 2.87Å; N286-N291 PolarHBondContact O-OD1 3.02Å
287	K	98.4	Very high	98	Very high	78 Å²	78	39.6 Å²	39.6	34%	0.339	20%	0.197	S	C	.	.	H	α-helix	trans	-62.3	-43.9	177	-71	177.9	175.6	-148	0	112.5	N283 F284 M285 A289 G290 E368 V370	N283-K287 WeakPolarHBondContact O-CG 3.45Å; N283-K287 PolarHBondContact O-N 3.35Å; N283-K287 VanDerWaalsContact O-N 3.1Å; F284-K287 PolarHBondContact O-N 3.35Å; M285-K287 PolarHBondContact O-N 3.04Å; K287-A289 PolarHBondContact O-N 3.24Å; K287-G290 PolarHBondContact O-N 3.26Å; K287-G290 VanDerWaalsContact O-N 3.1Å; K287-E368 WeakPolarHBondContact CD-OE1 3.23Å; K287-E368 VanDerWaalsContact CE-OE1 3.24Å; K287-E368 WeakPolarHBondContact CE-OE1 3.33Å; K287-E368 IonicContact NZ-OE1 3.41Å; K287-E368 PolarHBondContact NZ-OE1 2.87Å; K287-V370 HydrophobicContact CB-CB 4.43Å; K287-V370 HydrophobicContact CB-CG1 3.66Å; K287-V370 HydrophobicContact CB-CG2 3.9Å
288	L	98.3	Very high	98	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.9	-35.7	176.3	-72.3	172	0	0	0	112	L213 F284 M285 N286 V352 M353 T356 V370 L371	L213-L288 HydrophobicContact CD2-CD1 4.28Å; F284-L288 WeakPolarHBondContact O-CB 3.26Å; F284-L288 VanDerWaalsContact O-CG 3.25Å; F284-L288 WeakPolarHBondContact O-CG 3.31Å; F284-L288 PolarHBondContact O-N 2.74Å; M285-L288 PolarHBondContact O-N 2.86Å; M285-L288 HydrophobicContact SD-CD1 4.28Å; N286-L288 PolarHBondContact O-N 2.84Å; L288-V352 CarbonylContact O-C 3.59Å; L288-M353 HydrophobicContact CB-CB 4.34Å; L288-M353 HydrophobicContact CB-CG 3.97Å; L288-M353 WeakPolarHBondContact O-CA 3.47Å; L288-M353 PolarHBondContact O-N 2.91Å; L288-T356 HydrophobicContact CD2-CG2 3.56Å; L288-T356 PolarHBondContact O-OG1 2.8Å; L288-V370 HydrophobicContact CD2-CB 4.09Å; L288-V370 HydrophobicContact CD2-CG1 3.66Å; L288-V370 HydrophobicContact CG-CG1 3.8Å; L288-L371 HydrophobicContact CD2-CD1 3.69Å; L288-L371 HydrophobicContact CD2-CG 4.05Å
289	A	98.3	Very high	97.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-0.3	178.1	0	0	0	0	0	114	M285 N286 K287 N291 E292 V294 M353	M285-A289 WeakPolarHBondContact O-CB 3.44Å; M285-A289 PolarHBondContact O-N 3.27Å; N286-A289 CarbonylContact O-C 3.47Å; N286-A289 PolarHBondContact O-N 2.95Å; K287-A289 PolarHBondContact O-N 3.24Å; A289-N291 VanDerWaalsContact C-N 3.31Å; A289-N291 PolarHBondContact O-N 2.71Å; A289-E292 HydrophobicContact CB-CB 4.45Å; A289-E292 WeakPolarHBondContact O-CG 3.23Å; A289-E292 PolarHBondContact O-N 3.23Å; A289-V294 HydrophobicContact CB-CG2 3.95Å; A289-M353 HydrophobicContact CB-CE 3.73Å; A289-M353 HydrophobicContact CB-CG 3.93Å
290	G	97.6	Very high	97.8	Very high	6 Å²	6	39.7 Å²	39.7	6%	0.062	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	39	-174.7	0	0	0	0	0	113.6	N286 K287 E292 C363	N286-G290 PolarHBondContact O-N 3.1Å; K287-G290 PolarHBondContact O-N 3.26Å; K287-G290 VanDerWaalsContact O-N 3.1Å; G290-E292 VanDerWaalsContact C-N 3.25Å; G290-E292 PolarHBondContact O-N 3.45Å; G290-C363 VanDerWaalsContact CA-SG 3.59Å
291	N	97.8	Very high	97.8	Very high	123 Å²	123	38.4 Å²	38.4	66%	0.658	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.6	24.3	-179.7	-54.6	-5.3	0	0	0	114.4	N286 A289	N286-N291 PolarHBondContact O-N 2.87Å; N286-N291 PolarHBondContact O-OD1 3.02Å; A289-N291 VanDerWaalsContact C-N 3.31Å; A289-N291 PolarHBondContact O-N 2.71Å
292	E	97.1	Very high	97.7	Very high	46 Å²	46	41 Å²	41	22%	0.215	21%	0.214	C	C	.	.			trans	-77	-176.2	167.2	-64	-162.7	162	0	0	112	R194 A289 G290 V294 S349 I365	R194-E292 IonicContact CZ-OE1 3.96Å; R194-E292 IonicContact CZ-OE2 3.67Å; R194-E292 IonicContact NH1-OE1 3.28Å; R194-E292 PolarHBondContact NH1-OE1 3.34Å; R194-E292 IonicContact NH2-OE1 2.77Å; R194-E292 PolarHBondContact NH2-OE1 2.84Å; R194-E292 IonicContact NH2-OE2 3.7Å; R194-E292 PolarHBondContact NH2-OE2 3.02Å; A289-E292 HydrophobicContact CB-CB 4.45Å; A289-E292 WeakPolarHBondContact O-CG 3.23Å; A289-E292 PolarHBondContact O-N 3.23Å; G290-E292 VanDerWaalsContact C-N 3.25Å; G290-E292 PolarHBondContact O-N 3.45Å; E292-V294 PolarHBondContact O-N 3.16Å; E292-V294 VanDerWaalsContact O-N 3.09Å; E292-S349 WeakPolarHBondContact OE2-CA 3.42Å; E292-S349 PolarHBondContact OE2-N 2.79Å; E292-I365 HydrophobicContact CG-CD1 4.47Å
293	Y	98.3	Very high	97.6	Very high	97 Å²	97	40.7 Å²	40.7	38%	0.38	22%	0.215	S	C	.	.			trans	-59.7	115.8	-175.2	178.6	-94.9	0	0	0	112.4	P203 E344 T346 S349	P203-Y293 HydrophobicContact CB-CD1 4.49Å; P203-Y293 HydrophobicContact CB-CE1 3.58Å; Y293-E344 HydrophobicContact CE1-CB 4.04Å; Y293-T346 HydrophobicContact CD1-CG2 3.78Å; Y293-T346 HydrophobicContact CE1-CG2 4.44Å; Y293-T346 HydrophobicContact CG-CG2 4.29Å; Y293-S349 WeakPolarHBondContact O-CB 3.35Å; Y293-S349 PolarHBondContact O-OG 2.76Å
294	V	98.4	Very high	97.4	Very high	18 Å²	18	37 Å²	37	11%	0.109	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	109.4	165.7	-172.2	0	0	0	0	106.9	M282 M285 A289 E292 I343 E344 M353	M282-V294 HydrophobicContact CE-CB 4.26Å; M282-V294 HydrophobicContact CE-CG1 3.6Å; M282-V294 HydrophobicContact SD-CG1 4.06Å; M285-V294 HydrophobicContact CB-CG1 3.73Å; M285-V294 HydrophobicContact CB-CG2 4.36Å; A289-V294 HydrophobicContact CB-CG2 3.95Å; E292-V294 PolarHBondContact O-N 3.16Å; E292-V294 VanDerWaalsContact O-N 3.09Å; V294-I343 HydrophobicContact CG1-CG2 3.82Å; V294-E344 WeakPolarHBondContact CA-O 3.41Å; V294-M353 HydrophobicContact CG1-CE 4.48Å; V294-M353 HydrophobicContact CG2-CE 3.62Å
295	G	97.9	Very high	97.2	Very high	12 Å²	12	39.7 Å²	39.7	12%	0.124	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-169.3	-176.6	0	0	0	0	0	113	E344	G295-E344 PolarHBondContact N-O 2.99Å; G295-E344 PolarHBondContact O-N 2.91Å
296	F	98.1	Very high	97	Very high	64 Å²	64	46.5 Å²	46.5	28%	0.281	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	126	178.3	174.9	-104.4	0	0	0	110.8	F278 N298 F301 Q339 E344	F278-F296 AromaticContact CE2-CD2 3.86Å; F278-F296 HydrophobicContact CE2-CD2 3.86Å; F278-F296 HydrophobicContact CE2-CE2 4.09Å; F278-F296 HydrophobicContact CZ-CB 4.09Å; F278-F296 AromaticContact CZ-CD2 3.59Å; F278-F296 HydrophobicContact CZ-CD2 3.59Å; F278-F296 HydrophobicContact CZ-CE2 4.16Å; F278-F296 AromaticContact CZ-CG 3.83Å; F278-F296 HydrophobicContact CZ-CG 3.83Å; F296-N298 HydrophobicContact CD1-CB 4.45Å; F296-N298 HydrophobicContact CE1-CB 3.89Å; F296-F301 HydrophobicContact CE2-CB 4.27Å; F296-F301 HydrophobicContact CZ-CB 3.78Å; F296-F301 HydrophobicContact CZ-CD1 4.29Å; F296-F301 HydrophobicContact CZ-CG 4.04Å; F296-Q339 HydrophobicContact CE2-CB 4.15Å; F296-Q339 HydrophobicContact CE2-CG 4.44Å; F296-Q339 WeakPolarHBondContact CE2-O 3.29Å; F296-Q339 HydrophobicContact CZ-CG 4.35Å; F296-E344 VanDerWaalsContact C-OE2 3.24Å; F296-E344 PolarHBondContact N-OE2 2.65Å
297	S	97.9	Very high	96.6	Very high	17 Å²	17	46.9 Å²	46.9	12%	0.119	24%	0.242	C	C	.	.			trans	-96.9	100.4	175.5	177.2	0	0	0	0	110.7	A299 T300 F301 S342 E344	S297-A299 PolarHBondContact O-N 2.93Å; S297-T300 WeakPolarHBondContact CB-OG1 3.47Å; S297-T300 PolarHBondContact O-N 2.88Å; S297-T300 WeakPolarHBondContact OG-CB 3.28Å; S297-T300 PolarHBondContact OG-N 3.42Å; S297-T300 PolarHBondContact OG-OG1 3.33Å; S297-F301 PolarHBondContact O-N 3Å; S297-S342 PolarHBondContact N-O 3.03Å; S297-E344 PolarHBondContact N-OE2 2.89Å
298	N	97.2	Very high	96.2	Very high	90 Å²	90	43.3 Å²	43.3	48%	0.481	23%	0.227	S	C	.	.	H	α-helix	trans	-62	-32.8	171.9	-173.8	57.5	0	0	0	111.7	F296 F301 Q302	F296-N298 HydrophobicContact CD1-CB 4.45Å; F296-N298 HydrophobicContact CE1-CB 3.89Å; N298-F301 PolarHBondContact O-N 3.45Å; N298-Q302 WeakPolarHBondContact O-CG 3.41Å; N298-Q302 PolarHBondContact O-N 3.48Å
299	A	96.8	Very high	95.8	Very high	52 Å²	52	49.3 Å²	49.3	43%	0.43	26%	0.259	S	S	.	.	H	α-helix	trans	-64.2	-45.4	178.5	0	0	0	0	0	111.8	Q174 S297 F301 Q302 S303	Q174-A299 HydrophobicContact CG-CB 4.03Å; Q174-A299 PolarHBondContact NE2-O 2.96Å; S297-A299 PolarHBondContact O-N 2.93Å; A299-F301 VanDerWaalsContact C-N 3.34Å; A299-Q302 PolarHBondContact O-N 3.26Å; A299-S303 PolarHBondContact O-N 2.76Å
300	T	96.1	Very high	95.4	Very high	4 Å²	4	53.5 Å²	53.5	3%	0.025	28%	0.275	C	S	.	.	H	α-helix	trans	-65.4	-41.4	175.8	-54.4	0	0	0	0	110.4	I172 C205 S297 Q302 S303 E304	I172-T300 HydrophobicContact CD1-CG2 3.97Å; C205-T300 HydrophobicContact CB-CG2 4.43Å; C205-T300 PolarHBondContact SG-OG1 3.39Å; S297-T300 WeakPolarHBondContact CB-OG1 3.47Å; S297-T300 PolarHBondContact O-N 2.88Å; S297-T300 WeakPolarHBondContact OG-CB 3.28Å; S297-T300 PolarHBondContact OG-N 3.42Å; S297-T300 PolarHBondContact OG-OG1 3.33Å; T300-Q302 PolarHBondContact O-N 3.07Å; T300-S303 PolarHBondContact O-N 3.05Å; T300-E304 HydrophobicContact CG2-CG 3.92Å; T300-E304 VanDerWaalsContact O-CB 3.32Å; T300-E304 WeakPolarHBondContact O-CB 3.32Å; T300-E304 VanDerWaalsContact O-CG 3.26Å; T300-E304 WeakPolarHBondContact O-CG 3.4Å; T300-E304 PolarHBondContact O-N 3.12Å
301	F	97.3	Very high	95.2	Very high	14 Å²	14	54 Å²	54	6%	0.061	28%	0.276	C	S	.	.	H	α-helix	trans	-56.6	-48.4	176.7	163.1	-113.6	0	0	0	112.6	F296 S297 N298 A299 R305 F338 Q339 S342	F296-F301 HydrophobicContact CE2-CB 4.27Å; F296-F301 HydrophobicContact CZ-CB 3.78Å; F296-F301 HydrophobicContact CZ-CD1 4.29Å; F296-F301 HydrophobicContact CZ-CG 4.04Å; S297-F301 PolarHBondContact O-N 3Å; N298-F301 PolarHBondContact O-N 3.45Å; A299-F301 VanDerWaalsContact C-N 3.34Å; F301-R305 VanDerWaalsContact O-CB 3.31Å; F301-R305 WeakPolarHBondContact O-CB 3.43Å; F301-R305 PolarHBondContact O-N 3.01Å; F301-F338 HydrophobicContact CD2-CB 3.71Å; F301-F338 HydrophobicContact CE2-CB 3.79Å; F301-Q339 HydrophobicContact CD2-CB 4.43Å; F301-Q339 HydrophobicContact CD2-CG 3.75Å; F301-Q339 HydrophobicContact CE2-CG 3.54Å; F301-Q339 HydrophobicContact CG-CG 4.34Å; F301-Q339 HydrophobicContact CZ-CG 3.95Å; F301-S342 WeakPolarHBondContact CA-OG 3.46Å; F301-S342 PolarHBondContact N-OG 2.85Å
302	Q	96.4	Very high	95	Very high	55 Å²	55	50.3 Å²	50.3	26%	0.257	25%	0.254	S	S	.	.	H	α-helix	trans	-61.8	-47.2	179.2	-67.1	-60	-28.5	0	0	111.4	N298 A299 T300 R305 E306	N298-Q302 WeakPolarHBondContact O-CG 3.41Å; N298-Q302 PolarHBondContact O-N 3.48Å; A299-Q302 PolarHBondContact O-N 3.26Å; T300-Q302 PolarHBondContact O-N 3.07Å; Q302-R305 PolarHBondContact O-N 3.01Å; Q302-E306 WeakPolarHBondContact O-CG 3.36Å; Q302-E306 PolarHBondContact O-N 3.31Å
303	S	95.5	Very high	94.9	Very high	17 Å²	17	50.5 Å²	50.5	12%	0.119	26%	0.264	C	S	.	.	H	α-helix	trans	-68.4	-40.2	-179.3	-66.8	0	0	0	0	113.2	Q174 A299 T300 R305 E306 S307	Q174-S303 PolarHBondContact NE2-OG 2.61Å; Q174-S303 PolarHBondContact OE1-OG 2.82Å; Q174-S303 VanDerWaalsContact OE1-OG 3.05Å; A299-S303 PolarHBondContact O-N 2.76Å; T300-S303 PolarHBondContact O-N 3.05Å; S303-R305 VanDerWaalsContact C-N 3.28Å; S303-R305 PolarHBondContact O-N 3.01Å; S303-E306 PolarHBondContact O-N 3.31Å; S303-S307 PolarHBondContact O-N 3.32Å; S303-S307 PolarHBondContact O-OG 3.01Å
304	E	93.7	Very high	94.6	Very high	15 Å²	15	46.4 Å²	46.4	7%	0.07	25%	0.248	C	C	.	.	H	α-helix	trans	-61	-37.9	173.8	-75.4	-71.7	176	0	0	112	Y171 I172 Q207 T300 G308 F338	Y171-E304 PolarHBondContact OH-OE1 2.91Å; I172-E304 HydrophobicContact CD1-CG 3.9Å; I172-E304 VanDerWaalsContact CD1-OE1 3.26Å; I172-E304 WeakPolarHBondContact CD1-OE1 3.28Å; Q207-E304 PolarHBondContact NE2-OE1 3.41Å; Q207-E304 PolarHBondContact OE1-OE1 3.3Å; T300-E304 HydrophobicContact CG2-CG 3.92Å; T300-E304 VanDerWaalsContact O-CB 3.32Å; T300-E304 WeakPolarHBondContact O-CB 3.32Å; T300-E304 VanDerWaalsContact O-CG 3.26Å; T300-E304 WeakPolarHBondContact O-CG 3.4Å; T300-E304 PolarHBondContact O-N 3.12Å; E304-G308 VanDerWaalsContact O-CA 3.23Å; E304-G308 WeakPolarHBondContact O-CA 3.26Å; E304-G308 PolarHBondContact O-N 3.47Å; E304-G308 VanDerWaalsContact O-N 3.13Å; E304-F338 HydrophobicContact CB-CD1 4.01Å; E304-F338 WeakPolarHBondContact O-CE1 3.5Å
305	R	93.9	Very high	94.4	Very high	80 Å²	80	45.5 Å²	45.5	30%	0.302	24%	0.243	S	C	.	.	H	α-helix	trans	-68.1	-44.8	176.5	-173.3	179.5	66.6	161.8	3.4	111.5	F301 Q302 S303 G308 D335 F338	F301-R305 VanDerWaalsContact O-CB 3.31Å; F301-R305 WeakPolarHBondContact O-CB 3.43Å; F301-R305 PolarHBondContact O-N 3.01Å; Q302-R305 PolarHBondContact O-N 3.01Å; S303-R305 VanDerWaalsContact C-N 3.28Å; S303-R305 PolarHBondContact O-N 3.01Å; R305-G308 PolarHBondContact O-N 2.77Å; R305-D335 VanDerWaalsContact CD-OD1 3.23Å; R305-D335 WeakPolarHBondContact CD-OD1 3.48Å; R305-D335 IonicContact NH1-OD2 3.94Å; R305-F338 HydrophobicContact CB-CD2 4.16Å; R305-F338 HydrophobicContact CB-CG 4.44Å; R305-F338 HydrophobicContact CG-CD2 4.14Å; R305-F338 HydrophobicContact CG-CE2 4.34Å
306	E	93.3	Very high	94.2	Very high	143 Å²	143	51.5 Å²	51.5	67%	0.668	26%	0.263	S	S	*	.	H	α-helix	trans	-65.7	-40.8	179.1	-74.7	171.5	-173.2	0	0	112.6	Q302 S303 G308	Q302-E306 WeakPolarHBondContact O-CG 3.36Å; Q302-E306 PolarHBondContact O-N 3.31Å; S303-E306 PolarHBondContact O-N 3.31Å; E306-G308 PolarHBondContact O-N 3.35Å
307	S	90.6	Very high	93.9	Very high	54 Å²	54	52.3 Å²	52.3	38%	0.378	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	11.3	176.1	66.4	0	0	0	0	113.5	I172 S303 D309	I172-S307 WeakPolarHBondContact CG2-OG 3.39Å; S303-S307 PolarHBondContact O-N 3.32Å; S303-S307 PolarHBondContact O-OG 3.01Å; S307-D309 VanDerWaalsContact C-N 3.31Å; S307-D309 PolarHBondContact O-N 2.73Å
308	G	89.6	Confident	93.7	Very high	3 Å²	3	51.6 Å²	51.6	3%	0.031	26%	0.259	C	S	.	.			trans	-82.7	11.8	-165	0	0	0	0	0	116.2	E304 R305 E306 R310 N311 F312	E304-G308 VanDerWaalsContact O-CA 3.23Å; E304-G308 WeakPolarHBondContact O-CA 3.26Å; E304-G308 PolarHBondContact O-N 3.47Å; E304-G308 VanDerWaalsContact O-N 3.13Å; R305-G308 PolarHBondContact O-N 2.77Å; E306-G308 PolarHBondContact O-N 3.35Å; G308-R310 PolarHBondContact O-N 3.07Å; G308-N311 WeakPolarHBondContact O-CA 3.43Å; G308-N311 WeakPolarHBondContact O-CB 3.4Å; G308-N311 PolarHBondContact O-N 2.89Å; G308-F312 WeakPolarHBondContact O-CD2 3.48Å; G308-F312 PolarHBondContact O-N 3.21Å; G308-F312 VanDerWaalsContact O-N 3.1Å
309	D	90.9	Very high	93.5	Very high	126 Å²	126	52.7 Å²	52.7	67%	0.674	26%	0.26	S	S	*	.	H	α-helix	trans	-47.7	-42.2	-169.4	-68.5	-32.2	0	0	0	113.9	S307 N311 F312 A313	S307-D309 VanDerWaalsContact C-N 3.31Å; S307-D309 PolarHBondContact O-N 2.73Å; D309-N311 VanDerWaalsContact C-N 3.34Å; D309-N311 PolarHBondContact O-N 3.15Å; D309-F312 WeakPolarHBondContact O-CB 3.34Å; D309-F312 PolarHBondContact O-N 2.99Å; D309-A313 PolarHBondContact O-N 3.28Å
310	R	89.6	Confident	93.2	Very high	87 Å²	87	57.1 Å²	57.1	33%	0.328	27%	0.272	S	S	.	.	H	α-helix	trans	-62.9	-40.5	178.4	-177.4	176.9	172.7	-158.4	-9.6	112.4	F240 N241 G308 F312 A313 I314	F240-R310 PolarHBondContact O-NH2 3.05Å; N241-R310 VanDerWaalsContact CA-NH2 3.25Å; N241-R310 PolarHBondContact O-NH2 3.35Å; N241-R310 PolarHBondContact OD1-NH1 3.49Å; G308-R310 PolarHBondContact O-N 3.07Å; R310-F312 VanDerWaalsContact C-N 3.35Å; R310-A313 PolarHBondContact O-N 3.03Å; R310-I314 HydrophobicContact CG-CD1 4.24Å; R310-I314 VanDerWaalsContact O-CG1 3.28Å; R310-I314 WeakPolarHBondContact O-CG1 3.33Å; R310-I314 PolarHBondContact O-N 3.28Å
311	N	93.3	Very high	93	Very high	16 Å²	16	61.5 Å²	61.5	9%	0.086	29%	0.29	C	S	.	.	H	α-helix	trans	-71.9	-32.7	178.1	-64.9	-42.6	0	0	0	111	N258 I262 G308 D309 I314 G315 L334 F338	N258-N311 PolarHBondContact ND2-OD1 3.32Å; I262-N311 HydrophobicContact CD1-CB 4.28Å; G308-N311 WeakPolarHBondContact O-CA 3.43Å; G308-N311 WeakPolarHBondContact O-CB 3.4Å; G308-N311 PolarHBondContact O-N 2.89Å; D309-N311 VanDerWaalsContact C-N 3.34Å; D309-N311 PolarHBondContact O-N 3.15Å; N311-I314 PolarHBondContact O-N 3.4Å; N311-G315 PolarHBondContact O-N 3.28Å; N311-L334 HydrophobicContact CB-CD2 4.47Å; N311-F338 HydrophobicContact CB-CE1 4.22Å; N311-F338 HydrophobicContact CB-CZ 3.85Å; N311-F338 WeakPolarHBondContact ND2-CE1 3.35Å
312	F	94.3	Very high	92.8	Very high	47 Å²	47	69.5 Å²	69.5	21%	0.206	33%	0.325	C	S	.	.	H	α-helix	trans	-61.3	-48.1	169	-77.5	-73.5	0	0	0	111.9	G308 D309 R310 I314 G315 Y316 L334 F338	G308-F312 WeakPolarHBondContact O-CD2 3.48Å; G308-F312 PolarHBondContact O-N 3.21Å; G308-F312 VanDerWaalsContact O-N 3.1Å; D309-F312 WeakPolarHBondContact O-CB 3.34Å; D309-F312 PolarHBondContact O-N 2.99Å; R310-F312 VanDerWaalsContact C-N 3.35Å; F312-I314 VanDerWaalsContact C-N 3.31Å; F312-I314 PolarHBondContact O-N 3.1Å; F312-G315 WeakPolarHBondContact O-CA 3.24Å; F312-G315 PolarHBondContact O-N 3.05Å; F312-Y316 WeakPolarHBondContact O-CD2 3.23Å; F312-Y316 PolarHBondContact O-N 3.35Å; F312-L334 HydrophobicContact CB-CD1 4.46Å; F312-L334 HydrophobicContact CD1-CD1 3.42Å; F312-L334 VanDerWaalsContact CD1-CD1 3.42Å; F312-L334 HydrophobicContact CE1-CD1 3.8Å; F312-L334 HydrophobicContact CG-CD1 4.06Å; F312-F338 HydrophobicContact CE2-CE2 4.17Å; F312-F338 HydrophobicContact CE2-CZ 4.47Å; F312-F338 HydrophobicContact CZ-CE2 4.3Å
313	A	93.8	Very high	92.7	Very high	50 Å²	50	67.1 Å²	67.1	41%	0.413	31%	0.314	S	S	.	.	H	α-helix	trans	-58.1	-43.2	176.4	0	0	0	0	0	112.1	D309 R310 Y316 Y317	D309-A313 PolarHBondContact O-N 3.28Å; R310-A313 PolarHBondContact O-N 3.03Å; A313-Y316 PolarHBondContact O-N 3.2Å; A313-Y317 WeakPolarHBondContact O-CB 3.35Å; A313-Y317 PolarHBondContact O-N 2.98Å
314	I	92	Very high	92.6	Very high	10 Å²	10	67.3 Å²	67.3	5%	0.051	31%	0.313	C	S	.	.	H	α-helix	trans	-59.7	-46.7	172.9	-69.5	165.2	0	0	0	110.7	L243 N258 A259 I262 R310 N311 F312 Y316 Y317 L318	L243-I314 HydrophobicContact CD2-CD1 4.22Å; L243-I314 HydrophobicContact CD2-CG1 3.35Å; N258-I314 HydrophobicContact CB-CD1 4.1Å; A259-I314 HydrophobicContact CB-CG2 3.72Å; I262-I314 HydrophobicContact CD1-CB 4.3Å; I262-I314 HydrophobicContact CD1-CG2 3.8Å; R310-I314 HydrophobicContact CG-CD1 4.24Å; R310-I314 VanDerWaalsContact O-CG1 3.28Å; R310-I314 WeakPolarHBondContact O-CG1 3.33Å; R310-I314 PolarHBondContact O-N 3.28Å; N311-I314 PolarHBondContact O-N 3.4Å; F312-I314 VanDerWaalsContact C-N 3.31Å; F312-I314 PolarHBondContact O-N 3.1Å; I314-Y316 PolarHBondContact O-N 3.12Å; I314-Y317 PolarHBondContact O-N 3.39Å; I314-L318 HydrophobicContact CG2-CD1 3.64Å; I314-L318 HydrophobicContact CG2-CG 4.15Å; I314-L318 WeakPolarHBondContact O-CB 3.4Å; I314-L318 WeakPolarHBondContact O-CG 3.42Å; I314-L318 PolarHBondContact O-N 3.19Å
315	G	94	Very high	92.7	Very high	0 Å²	0	67 Å²	67	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-59.4	-46.7	179.8	0	0	0	0	0	112.9	N311 F312 L318 K319 M330	N311-G315 PolarHBondContact O-N 3.28Å; F312-G315 WeakPolarHBondContact O-CA 3.24Å; F312-G315 PolarHBondContact O-N 3.05Å; G315-L318 PolarHBondContact O-N 3.33Å; G315-K319 WeakPolarHBondContact O-CB 3.45Å; G315-K319 PolarHBondContact O-N 2.96Å; G315-M330 WeakPolarHBondContact O-CG 3.18Å
316	Y	93.9	Very high	92.6	Very high	138 Å²	138	72.9 Å²	72.9	54%	0.541	34%	0.343	S	S	.	.	H	α-helix	trans	-63	-42.1	175.7	-76.5	-69.5	0	0	0	112.4	F312 A313 I314 K319 E320 M330	F312-Y316 WeakPolarHBondContact O-CD2 3.23Å; F312-Y316 PolarHBondContact O-N 3.35Å; A313-Y316 PolarHBondContact O-N 3.2Å; I314-Y316 PolarHBondContact O-N 3.12Å; Y316-K319 WeakPolarHBondContact O-CB 3.5Å; Y316-K319 PolarHBondContact O-N 3.17Å; Y316-E320 PolarHBondContact O-N 3.48Å; Y316-M330 HydrophobicContact CD1-CE 3.55Å; Y316-M330 HydrophobicContact CD2-CE 3.98Å; Y316-M330 HydrophobicContact CE1-CE 3.46Å; Y316-M330 VanDerWaalsContact CE1-CE 3.46Å; Y316-M330 HydrophobicContact CE2-CE 3.89Å; Y316-M330 HydrophobicContact CG-CE 3.81Å
317	Y	91.7	Very high	92.6	Very high	81 Å²	81	70.2 Å²	70.2	32%	0.318	36%	0.355	S	S	.	.	H	α-helix	trans	-63.3	-43.2	177.3	-173.2	-115.5	0	0	0	112.4	L245 A313 I314 K319 E320 K321	L245-Y317 HydrophobicContact CD1-CD1 4.46Å; L245-Y317 HydrophobicContact CD1-CE1 3.78Å; L245-Y317 HydrophobicContact CG-CE1 3.89Å; A313-Y317 WeakPolarHBondContact O-CB 3.35Å; A313-Y317 PolarHBondContact O-N 2.98Å; I314-Y317 PolarHBondContact O-N 3.39Å; Y317-K319 VanDerWaalsContact C-N 3.31Å; Y317-K319 PolarHBondContact O-N 2.85Å; Y317-E320 PolarHBondContact O-N 3.32Å; Y317-K321 HydrophobicContact CE2-CG 4.4Å; Y317-K321 WeakPolarHBondContact O-CG 3.18Å; Y317-K321 PolarHBondContact O-N 2.66Å; Y317-K321 VanDerWaalsContact O-N 3.11Å
318	L	92.9	Very high	92.8	Very high	1 Å²	1	69.5 Å²	69.5	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-63.6	-36.3	174.5	-69.8	170.1	0	0	0	112.4	L245 P252 A259 I262 V263 I314 G315 K321 K322 C323 F324	L245-L318 HydrophobicContact CD2-CD2 3.72Å; P252-L318 HydrophobicContact CG-CD2 3.83Å; A259-L318 HydrophobicContact CB-CD1 4.44Å; I262-L318 HydrophobicContact CB-CD1 4.36Å; I262-L318 HydrophobicContact CG2-CD1 4.16Å; V263-L318 HydrophobicContact CG2-CD1 3.83Å; V263-L318 HydrophobicContact CG2-CD2 3.96Å; V263-L318 HydrophobicContact CG2-CG 4.44Å; I314-L318 HydrophobicContact CG2-CD1 3.64Å; I314-L318 HydrophobicContact CG2-CG 4.15Å; I314-L318 WeakPolarHBondContact O-CB 3.4Å; I314-L318 WeakPolarHBondContact O-CG 3.42Å; I314-L318 PolarHBondContact O-N 3.19Å; G315-L318 PolarHBondContact O-N 3.33Å; L318-K321 PolarHBondContact O-N 3.4Å; L318-K322 PolarHBondContact O-N 2.76Å; L318-K322 VanDerWaalsContact O-N 3.16Å; L318-C323 HydrophobicContact CB-CB 4.16Å; L318-C323 HydrophobicContact CD2-CB 3.72Å; L318-C323 PolarHBondContact O-N 3.03Å; L318-F324 HydrophobicContact CB-CD2 4.32Å; L318-F324 HydrophobicContact CB-CE2 3.52Å; L318-F324 HydrophobicContact CB-CZ 3.7Å; L318-F324 HydrophobicContact CD1-CE1 4.45Å; L318-F324 HydrophobicContact CD1-CZ 3.91Å; L318-F324 HydrophobicContact CG-CZ 4.47Å
319	K	93.2	Very high	93	Very high	114 Å²	114	73.6 Å²	73.6	50%	0.496	37%	0.369	S	S	.	.	H	α-helix	trans	-66	-45.6	176.9	-175.4	179.8	-178.6	176.4	0	111.3	G315 Y316 Y317 K321 K322 F324 M330	G315-K319 WeakPolarHBondContact O-CB 3.45Å; G315-K319 PolarHBondContact O-N 2.96Å; Y316-K319 WeakPolarHBondContact O-CB 3.5Å; Y316-K319 PolarHBondContact O-N 3.17Å; Y317-K319 VanDerWaalsContact C-N 3.31Å; Y317-K319 PolarHBondContact O-N 2.85Å; K319-K321 VanDerWaalsContact C-N 3.3Å; K319-K321 PolarHBondContact O-N 3.13Å; K319-K322 PolarHBondContact O-N 3.36Å; K319-F324 HydrophobicContact CB-CD2 4.43Å; K319-F324 HydrophobicContact CB-CE2 4.26Å; K319-M330 HydrophobicContact CB-CG 4.38Å; K319-M330 HydrophobicContact CD-CB 4.1Å
320	E	92.2	Very high	93.2	Very high	144 Å²	144	67.6 Å²	67.6	67%	0.673	34%	0.337	S	S	*	.	H	α-helix	trans	-59.1	-42.7	176.4	-175.2	-174.4	-169	0	0	111.5	Y316 Y317 K322	Y316-E320 PolarHBondContact O-N 3.48Å; Y317-E320 PolarHBondContact O-N 3.32Å; E320-K322 VanDerWaalsContact C-N 3.25Å; E320-K322 PolarHBondContact O-N 2.99Å
321	K	91.1	Very high	93.5	Very high	96 Å²	96	66.2 Å²	66.2	42%	0.417	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	3.6	-180	-65.7	-69.3	-177.2	177.4	0	114.7	L245 Y317 L318 K319 C323	L245-K321 HydrophobicContact CD1-CB 3.97Å; L245-K321 HydrophobicContact CD1-CG 3.8Å; Y317-K321 HydrophobicContact CE2-CG 4.4Å; Y317-K321 WeakPolarHBondContact O-CG 3.18Å; Y317-K321 PolarHBondContact O-N 2.66Å; Y317-K321 VanDerWaalsContact O-N 3.11Å; L318-K321 PolarHBondContact O-N 3.4Å; K319-K321 VanDerWaalsContact C-N 3.3Å; K319-K321 PolarHBondContact O-N 3.13Å; K321-C323 VanDerWaalsContact C-N 3.26Å; K321-C323 PolarHBondContact O-N 3.32Å
322	K	93	Very high	93.6	Very high	183 Å²	183	67.1 Å²	67.1	80%	0.796	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	36.8	-179.8	-55.4	-179.6	178.7	-179.9	0	113.5	L318 K319 E320 F324	L318-K322 PolarHBondContact O-N 2.76Å; L318-K322 VanDerWaalsContact O-N 3.16Å; K319-K322 PolarHBondContact O-N 3.36Å; E320-K322 VanDerWaalsContact C-N 3.25Å; E320-K322 PolarHBondContact O-N 2.99Å; K322-F324 PolarHBondContact O-N 3.21Å
323	C	93.4	Very high	93.7	Very high	4 Å²	4	65 Å²	65	3%	0.027	34%	0.337	C	S	.	.			trans	-76.5	-7.7	179.4	-58.1	0	0	0	0	113.7	D250 V263 L318 K321	D250-C323 PolarHBondContact O-SG 3.24Å; V263-C323 HydrophobicContact CG2-CB 4.25Å; L318-C323 HydrophobicContact CB-CB 4.16Å; L318-C323 HydrophobicContact CD2-CB 3.72Å; L318-C323 PolarHBondContact O-N 3.03Å; K321-C323 VanDerWaalsContact C-N 3.26Å; K321-C323 PolarHBondContact O-N 3.32Å
324	F	94.9	Very high	93.9	Very high	21 Å²	21	62.7 Å²	62.7	9%	0.092	32%	0.317	C	S	.	.	S	Bend	trans	-96.1	153.4	178.9	-63.2	-66.2	0	0	0	111.6	I262 V263 L318 K319 K322 T328 M330	I262-F324 HydrophobicContact CG2-CE1 3.95Å; I262-F324 HydrophobicContact CG2-CZ 3.94Å; V263-F324 HydrophobicContact CG2-CD1 4.49Å; V263-F324 HydrophobicContact CG2-CE1 4.2Å; L318-F324 HydrophobicContact CB-CD2 4.32Å; L318-F324 HydrophobicContact CB-CE2 3.52Å; L318-F324 HydrophobicContact CB-CZ 3.7Å; L318-F324 HydrophobicContact CD1-CE1 4.45Å; L318-F324 HydrophobicContact CD1-CZ 3.91Å; L318-F324 HydrophobicContact CG-CZ 4.47Å; K319-F324 HydrophobicContact CB-CD2 4.43Å; K319-F324 HydrophobicContact CB-CE2 4.26Å; K322-F324 PolarHBondContact O-N 3.21Å; F324-T328 HydrophobicContact CB-CG2 4.05Å; F324-T328 HydrophobicContact CD1-CG2 4.29Å; F324-T328 HydrophobicContact CG-CG2 4.23Å; F324-M330 HydrophobicContact CE2-CB 4.25Å; F324-M330 HydrophobicContact CE2-CG 3.81Å; F324-M330 HydrophobicContact CZ-CG 4.14Å
325	P	94.6	Very high	94.1	Very high	10 Å²	10	64.2 Å²	64.2	7%	0.065	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-54.8	151.8	167.3	-22	32.1	0	0	0	112.1	F230 S266 L267 T328	F230-P325 HydrophobicContact CE1-CB 4.42Å; F230-P325 HydrophobicContact CE1-CG 4.09Å; F230-P325 HydrophobicContact CZ-CB 4.4Å; F230-P325 HydrophobicContact CZ-CG 4.14Å; S266-P325 VanDerWaalsContact OG-CD 3.23Å; S266-P325 WeakPolarHBondContact OG-CD 3.16Å; L267-P325 HydrophobicContact CD2-CG 3.54Å; P325-T328 VanDerWaalsContact O-CB 3.25Å; P325-T328 WeakPolarHBondContact O-CB 3.42Å; P325-T328 PolarHBondContact O-N 3.45Å; P325-T328 PolarHBondContact O-OG1 2.75Å
326	E	93.2	Very high	94.3	Very high	202 Å²	202	64.2 Å²	64.2	94%	0.944	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	141.2	177.6	-66	-171.5	167.9	0	0	111.8	T328	E326-T328 VanDerWaalsContact C-N 3.28Å; E326-T328 PolarHBondContact O-N 3.28Å
327	G	91.4	Very high	94.5	Very high	88 Å²	88	58 Å²	58	91%	0.907	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	7.6	-178.6	0	0	0	0	0	115.3
328	T	94.8	Very high	94.7	Very high	39 Å²	39	54.2 Å²	54.2	24%	0.239	29%	0.287	C	S	.	.			trans	-76.2	126.9	178.4	-58.8	0	0	0	0	112.3	F324 P325 E326 I333	F324-T328 HydrophobicContact CB-CG2 4.05Å; F324-T328 HydrophobicContact CD1-CG2 4.29Å; F324-T328 HydrophobicContact CG-CG2 4.23Å; P325-T328 VanDerWaalsContact O-CB 3.25Å; P325-T328 WeakPolarHBondContact O-CB 3.42Å; P325-T328 PolarHBondContact O-N 3.45Å; P325-T328 PolarHBondContact O-OG1 2.75Å; E326-T328 VanDerWaalsContact C-N 3.28Å; E326-T328 PolarHBondContact O-N 3.28Å; T328-I333 HydrophobicContact CG2-CD1 4.44Å; T328-I333 HydrophobicContact CG2-CG1 3.52Å
329	D	95.7	Very high	94.9	Very high	88 Å²	88	56.2 Å²	56.2	47%	0.471	30%	0.296	S	S	.	.			trans	-84.8	110.6	165.7	176.4	30.2	0	0	0	111.3	T331 S332 I333	D329-T331 PolarHBondContact O-N 3.44Å; D329-T331 PolarHBondContact OD1-N 2.87Å; D329-S332 PolarHBondContact O-N 3.3Å; D329-S332 WeakPolarHBondContact OD2-CB 3.28Å; D329-S332 PolarHBondContact OD2-N 3.15Å; D329-S332 VanDerWaalsContact OD2-N 3.15Å; D329-I333 WeakPolarHBondContact O-CG1 3.34Å; D329-I333 PolarHBondContact O-N 3.19Å
330	M	94.9	Very high	95.2	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-59.2	-42.9	-177.6	-177.5	-80.3	-68.7	0	0	112.6	G315 Y316 K319 F324 I333 L334	G315-M330 WeakPolarHBondContact O-CG 3.18Å; Y316-M330 HydrophobicContact CD1-CE 3.55Å; Y316-M330 HydrophobicContact CD2-CE 3.98Å; Y316-M330 HydrophobicContact CE1-CE 3.46Å; Y316-M330 VanDerWaalsContact CE1-CE 3.46Å; Y316-M330 HydrophobicContact CE2-CE 3.89Å; Y316-M330 HydrophobicContact CG-CE 3.81Å; K319-M330 HydrophobicContact CB-CG 4.38Å; K319-M330 HydrophobicContact CD-CB 4.1Å; F324-M330 HydrophobicContact CE2-CB 4.25Å; F324-M330 HydrophobicContact CE2-CG 3.81Å; F324-M330 HydrophobicContact CZ-CG 4.14Å; M330-I333 PolarHBondContact O-N 2.84Å; M330-L334 PolarHBondContact O-N 2.92Å; M330-L334 HydrophobicContact SD-CD1 3.31Å; M330-L334 WeakPolarHBondContact SD-CD1 3.27Å; M330-L334 HydrophobicContact SD-CG 3.79Å
331	T	94.8	Very high	95.4	Very high	57 Å²	57	44.1 Å²	44.1	35%	0.35	24%	0.241	S	C	.	.	H	α-helix	trans	-67	-45.1	-176.1	-52.6	0	0	0	0	110.6	D329 I333 L334 D335	D329-T331 PolarHBondContact O-N 3.44Å; D329-T331 PolarHBondContact OD1-N 2.87Å; T331-I333 VanDerWaalsContact C-N 3.32Å; T331-I333 PolarHBondContact O-N 2.83Å; T331-L334 PolarHBondContact O-N 3.27Å; T331-D335 PolarHBondContact O-N 3.42Å
332	S	96.3	Very high	95.7	Very high	35 Å²	35	39.5 Å²	39.5	25%	0.245	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-39.6	173.3	176.5	0	0	0	0	112.8	N274 D329 D335 F336	N274-S332 PolarHBondContact ND2-O 2.94Å; N274-S332 PolarHBondContact ND2-OG 3.47Å; N274-S332 PolarHBondContact OD1-OG 3.44Å; D329-S332 PolarHBondContact O-N 3.3Å; D329-S332 WeakPolarHBondContact OD2-CB 3.28Å; D329-S332 PolarHBondContact OD2-N 3.15Å; D329-S332 VanDerWaalsContact OD2-N 3.15Å; S332-D335 PolarHBondContact O-N 2.86Å; S332-F336 PolarHBondContact O-N 2.81Å
333	I	97	Very high	96	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-68.3	-35.7	175.9	-68.7	-50.3	0	0	0	112.4	I262 T265 T328 D329 M330 T331 F336 Y337	I262-I333 HydrophobicContact CG2-CG2 4.37Å; T265-I333 HydrophobicContact CG2-CG2 4.13Å; T328-I333 HydrophobicContact CG2-CD1 4.44Å; T328-I333 HydrophobicContact CG2-CG1 3.52Å; D329-I333 WeakPolarHBondContact O-CG1 3.34Å; D329-I333 PolarHBondContact O-N 3.19Å; M330-I333 PolarHBondContact O-N 2.84Å; T331-I333 VanDerWaalsContact C-N 3.32Å; T331-I333 PolarHBondContact O-N 2.83Å; I333-F336 PolarHBondContact O-N 2.97Å; I333-Y337 WeakPolarHBondContact O-CB 3.36Å; I333-Y337 PolarHBondContact O-N 3.36Å
334	L	96.3	Very high	96.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.9	-44.2	174.4	-77	-177.9	0	0	0	111.6	I262 N311 F312 M330 T331 F336 Y337 F338	I262-L334 HydrophobicContact CD1-CD2 3.76Å; I262-L334 HydrophobicContact CG1-CD2 3.99Å; I262-L334 HydrophobicContact CG2-CD2 3.9Å; N311-L334 HydrophobicContact CB-CD2 4.47Å; F312-L334 HydrophobicContact CB-CD1 4.46Å; F312-L334 HydrophobicContact CD1-CD1 3.42Å; F312-L334 VanDerWaalsContact CD1-CD1 3.42Å; F312-L334 HydrophobicContact CE1-CD1 3.8Å; F312-L334 HydrophobicContact CG-CD1 4.06Å; M330-L334 PolarHBondContact O-N 2.92Å; M330-L334 HydrophobicContact SD-CD1 3.31Å; M330-L334 WeakPolarHBondContact SD-CD1 3.27Å; M330-L334 HydrophobicContact SD-CG 3.79Å; T331-L334 PolarHBondContact O-N 3.27Å; L334-F336 VanDerWaalsContact C-N 3.3Å; L334-F336 PolarHBondContact O-N 3.28Å; L334-Y337 WeakPolarHBondContact O-CA 3.43Å; L334-Y337 WeakPolarHBondContact O-CB 3.45Å; L334-Y337 PolarHBondContact O-N 2.79Å; L334-Y337 VanDerWaalsContact O-N 3.1Å; L334-F338 HydrophobicContact CB-CE2 4.3Å; L334-F338 WeakPolarHBondContact O-CD2 3.34Å; L334-F338 PolarHBondContact O-N 3.16Å
335	D	96.6	Very high	96.4	Very high	43 Å²	43	31.4 Å²	31.4	23%	0.23	19%	0.186	C	C	.	.	H	α-helix	trans	-57.5	-46	173.9	-85.7	0.7	0	0	0	110.9	R305 T331 S332 Y337 F338 Q339	R305-D335 VanDerWaalsContact CD-OD1 3.23Å; R305-D335 WeakPolarHBondContact CD-OD1 3.48Å; R305-D335 IonicContact NH1-OD2 3.94Å; T331-D335 PolarHBondContact O-N 3.42Å; S332-D335 PolarHBondContact O-N 2.86Å; D335-Y337 VanDerWaalsContact C-N 3.32Å; D335-Y337 PolarHBondContact O-N 2.86Å; D335-F338 PolarHBondContact O-N 3.33Å; D335-Q339 WeakPolarHBondContact O-CG 3.43Å; D335-Q339 PolarHBondContact O-N 2.73Å
336	F	97.9	Very high	96.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.6	-37.6	176	-174.9	-140.2	0	0	0	112.4	T265 I268 K277 F278 V281 S332 I333 L334 F338 Q339 L340	T265-F336 HydrophobicContact CG2-CB 4.16Å; T265-F336 HydrophobicContact CG2-CD1 3.27Å; T265-F336 HydrophobicContact CG2-CE1 3.84Å; T265-F336 HydrophobicContact CG2-CG 3.94Å; I268-F336 HydrophobicContact CB-CE1 4.43Å; K277-F336 HydrophobicContact CB-CD1 4.26Å; K277-F336 HydrophobicContact CB-CE1 3.68Å; K277-F336 HydrophobicContact CB-CE2 4Å; K277-F336 HydrophobicContact CB-CZ 3.53Å; K277-F336 HydrophobicContact CD-CD1 4.06Å; K277-F336 HydrophobicContact CD-CE1 4.04Å; K277-F336 HydrophobicContact CG-CE1 4.36Å; F278-F336 HydrophobicContact CB-CE2 4.06Å; F278-F336 HydrophobicContact CD2-CE2 4.29Å; V281-F336 HydrophobicContact CG2-CZ 3.93Å; S332-F336 PolarHBondContact O-N 2.81Å; I333-F336 PolarHBondContact O-N 2.97Å; L334-F336 VanDerWaalsContact C-N 3.3Å; L334-F336 PolarHBondContact O-N 3.28Å; F336-F338 PolarHBondContact O-N 2.72Å; F336-Q339 WeakPolarHBondContact O-CB 3.5Å; F336-Q339 PolarHBondContact O-N 3.49Å; F336-L340 HydrophobicContact CD2-CD2 4.4Å; F336-L340 HydrophobicContact CD2-CG 4.2Å; F336-L340 HydrophobicContact CE1-CD1 4.11Å; F336-L340 HydrophobicContact CE2-CD1 4.19Å; F336-L340 HydrophobicContact CE2-CD2 3.62Å; F336-L340 HydrophobicContact CE2-CG 3.81Å; F336-L340 HydrophobicContact CZ-CD1 3.88Å; F336-L340 HydrophobicContact CZ-CD2 3.89Å; F336-L340 HydrophobicContact CZ-CG 4.03Å; F336-L340 WeakPolarHBondContact O-CG 3.11Å; F336-L340 PolarHBondContact O-N 2.82Å
337	Y	97.9	Very high	96.9	Very high	7 Å²	7	22 Å²	22	3%	0.027	14%	0.142	C	C	.	.	H	α-helix	trans	-59.3	-46.4	174.2	167.9	-88.4	0	0	0	111.8	K214 A261 I262 I333 L334 D335 Q339 L340 C341	K214-Y337 VanDerWaalsContact NZ-CD2 3.31Å; A261-Y337 HydrophobicContact CB-CE2 3.82Å; I262-Y337 HydrophobicContact CB-CD2 4.44Å; I262-Y337 HydrophobicContact CG1-CD1 4.24Å; I262-Y337 HydrophobicContact CG1-CD2 3.62Å; I262-Y337 HydrophobicContact CG1-CE1 4.43Å; I262-Y337 HydrophobicContact CG1-CE2 3.83Å; I262-Y337 HydrophobicContact CG1-CG 3.86Å; I333-Y337 WeakPolarHBondContact O-CB 3.36Å; I333-Y337 PolarHBondContact O-N 3.36Å; L334-Y337 WeakPolarHBondContact O-CA 3.43Å; L334-Y337 WeakPolarHBondContact O-CB 3.45Å; L334-Y337 PolarHBondContact O-N 2.79Å; L334-Y337 VanDerWaalsContact O-N 3.1Å; D335-Y337 VanDerWaalsContact C-N 3.32Å; D335-Y337 PolarHBondContact O-N 2.86Å; Y337-Q339 VanDerWaalsContact C-N 3.34Å; Y337-Q339 PolarHBondContact O-N 2.92Å; Y337-L340 PolarHBondContact O-N 3.05Å; Y337-C341 PolarHBondContact O-N 2.83Å; Y337-C341 VanDerWaalsContact O-N 3.11Å
338	F	97.1	Very high	97.2	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.009	10%	0.104	C	C	.	.	H	α-helix	trans	-64.8	-37.5	177.2	-68	-60.4	0	0	0	112.1	F301 E304 R305 N311 F312 L334 D335 F336 L340 C341 S342	F301-F338 HydrophobicContact CD2-CB 3.71Å; F301-F338 HydrophobicContact CE2-CB 3.79Å; E304-F338 HydrophobicContact CB-CD1 4.01Å; E304-F338 WeakPolarHBondContact O-CE1 3.5Å; R305-F338 HydrophobicContact CB-CD2 4.16Å; R305-F338 HydrophobicContact CB-CG 4.44Å; R305-F338 HydrophobicContact CG-CD2 4.14Å; R305-F338 HydrophobicContact CG-CE2 4.34Å; N311-F338 HydrophobicContact CB-CE1 4.22Å; N311-F338 HydrophobicContact CB-CZ 3.85Å; N311-F338 WeakPolarHBondContact ND2-CE1 3.35Å; F312-F338 HydrophobicContact CE2-CE2 4.17Å; F312-F338 HydrophobicContact CE2-CZ 4.47Å; F312-F338 HydrophobicContact CZ-CE2 4.3Å; L334-F338 HydrophobicContact CB-CE2 4.3Å; L334-F338 WeakPolarHBondContact O-CD2 3.34Å; L334-F338 PolarHBondContact O-N 3.16Å; D335-F338 PolarHBondContact O-N 3.33Å; F336-F338 PolarHBondContact O-N 2.72Å; F338-L340 PolarHBondContact O-N 3.18Å; F338-C341 PolarHBondContact O-N 3.01Å; F338-S342 PolarHBondContact O-N 3.21Å; F338-S342 PolarHBondContact O-OG 3.16Å
339	Q	97.6	Very high	97.4	Very high	42 Å²	42	16.9 Å²	16.9	20%	0.196	9%	0.092	C	C	.	.	H	α-helix	trans	-59	-47.4	173.6	-71.4	177.8	-45.1	0	0	111.1	F278 F296 F301 D335 F336 Y337 C341 S342 I343	F278-Q339 HydrophobicContact CD2-CB 4.1Å; F278-Q339 HydrophobicContact CE2-CB 4.18Å; F296-Q339 HydrophobicContact CE2-CB 4.15Å; F296-Q339 HydrophobicContact CE2-CG 4.44Å; F296-Q339 WeakPolarHBondContact CE2-O 3.29Å; F296-Q339 HydrophobicContact CZ-CG 4.35Å; F301-Q339 HydrophobicContact CD2-CB 4.43Å; F301-Q339 HydrophobicContact CD2-CG 3.75Å; F301-Q339 HydrophobicContact CE2-CG 3.54Å; F301-Q339 HydrophobicContact CG-CG 4.34Å; F301-Q339 HydrophobicContact CZ-CG 3.95Å; D335-Q339 WeakPolarHBondContact O-CG 3.43Å; D335-Q339 PolarHBondContact O-N 2.73Å; F336-Q339 WeakPolarHBondContact O-CB 3.5Å; F336-Q339 PolarHBondContact O-N 3.49Å; Y337-Q339 VanDerWaalsContact C-N 3.34Å; Y337-Q339 PolarHBondContact O-N 2.92Å; Q339-C341 VanDerWaalsContact C-N 3.34Å; Q339-C341 PolarHBondContact O-N 2.97Å; Q339-S342 PolarHBondContact O-N 3.16Å; Q339-I343 PolarHBondContact O-N 3.46Å
340	L	98	Very high	97.5	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-64.1	-36.2	179.6	-65.1	-174.6	0	0	0	113	V210 K214 T265 F278 V281 F336 Y337 F338 S342 I343	V210-L340 HydrophobicContact CG1-CB 4.47Å; K214-L340 HydrophobicContact CD-CD1 4.21Å; T265-L340 HydrophobicContact CG2-CD1 4.26Å; F278-L340 HydrophobicContact CD2-CD2 4.4Å; V281-L340 HydrophobicContact CB-CD2 3.97Å; V281-L340 HydrophobicContact CG1-CD2 3.64Å; V281-L340 HydrophobicContact CG2-CD2 4.2Å; F336-L340 HydrophobicContact CD2-CD2 4.4Å; F336-L340 HydrophobicContact CD2-CG 4.2Å; F336-L340 HydrophobicContact CE1-CD1 4.11Å; F336-L340 HydrophobicContact CE2-CD1 4.19Å; F336-L340 HydrophobicContact CE2-CD2 3.62Å; F336-L340 HydrophobicContact CE2-CG 3.81Å; F336-L340 HydrophobicContact CZ-CD1 3.88Å; F336-L340 HydrophobicContact CZ-CD2 3.89Å; F336-L340 HydrophobicContact CZ-CG 4.03Å; F336-L340 WeakPolarHBondContact O-CG 3.11Å; F336-L340 PolarHBondContact O-N 2.82Å; Y337-L340 PolarHBondContact O-N 3.05Å; F338-L340 PolarHBondContact O-N 3.18Å; L340-S342 PolarHBondContact O-N 2.94Å; L340-I343 HydrophobicContact CD2-CD1 3.86Å; L340-I343 WeakPolarHBondContact O-CG1 3.42Å; L340-I343 PolarHBondContact O-N 3.17Å
341	C	96.7	Very high	97.7	Very high	4 Å²	4	12.7 Å²	12.7	3%	0.027	7%	0.07	C	C	.	.	H	α-helix	trans	-67.5	-22.1	174.8	-73.7	0	0	0	0	113.2	Q207 Y337 F338 Q339	Q207-C341 VanDerWaalsContact CA-O 3.3Å; Q207-C341 WeakPolarHBondContact CA-O 3.25Å; Q207-C341 PolarHBondContact N-O 3.48Å; Y337-C341 PolarHBondContact O-N 2.83Å; Y337-C341 VanDerWaalsContact O-N 3.11Å; F338-C341 PolarHBondContact O-N 3.01Å; Q339-C341 VanDerWaalsContact C-N 3.34Å; Q339-C341 PolarHBondContact O-N 2.97Å
342	S	98.1	Very high	97.9	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	7.7	-177.4	-52.4	0	0	0	0	113.9	S297 F301 F338 Q339 L340	S297-S342 PolarHBondContact N-O 3.03Å; F301-S342 WeakPolarHBondContact CA-OG 3.46Å; F301-S342 PolarHBondContact N-OG 2.85Å; F338-S342 PolarHBondContact O-N 3.21Å; F338-S342 PolarHBondContact O-OG 3.16Å; Q339-S342 PolarHBondContact O-N 3.16Å; L340-S342 PolarHBondContact O-N 2.94Å
343	I	98.5	Very high	98	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	134.4	170.2	-67.1	173.3	0	0	0	109.2	C205 L206 V210 F278 V281 M282 M285 V294 Q339 L340	C205-I343 CarbonylContact C-O 3.59Å; C205-I343 WeakPolarHBondContact CA-O 3.49Å; L206-I343 HydrophobicContact CD1-CB 4.42Å; L206-I343 HydrophobicContact CD1-CG2 4.01Å; L206-I343 PolarHBondContact N-O 3.49Å; V210-I343 HydrophobicContact CG2-CD1 4.4Å; F278-I343 HydrophobicContact CE2-CG1 4.31Å; V281-I343 HydrophobicContact CG1-CD1 4.41Å; M282-I343 HydrophobicContact SD-CD1 3.98Å; M282-I343 HydrophobicContact SD-CG1 4.05Å; M282-I343 HydrophobicContact SD-CG2 4.36Å; M285-I343 HydrophobicContact CE-CD1 4.43Å; M285-I343 HydrophobicContact CG-CD1 4.47Å; V294-I343 HydrophobicContact CG1-CG2 3.82Å; Q339-I343 PolarHBondContact O-N 3.46Å; L340-I343 HydrophobicContact CD2-CD1 3.86Å; L340-I343 WeakPolarHBondContact O-CG1 3.42Å; L340-I343 PolarHBondContact O-N 3.17Å
344	E	98.4	Very high	98.1	Very high	38 Å²	38	8.1 Å²	8.1	18%	0.178	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	141.9	-179.3	-64.2	178.2	118.1	0	0	111.5	F204 Y293 V294 G295 F296 S297	F204-E344 VanDerWaalsContact O-CA 3.32Å; F204-E344 WeakPolarHBondContact O-CA 3.45Å; Y293-E344 HydrophobicContact CE1-CB 4.04Å; V294-E344 WeakPolarHBondContact CA-O 3.41Å; G295-E344 PolarHBondContact N-O 2.99Å; G295-E344 PolarHBondContact O-N 2.91Å; F296-E344 VanDerWaalsContact C-OE2 3.24Å; F296-E344 PolarHBondContact N-OE2 2.65Å; S297-E344 PolarHBondContact N-OE2 2.89Å
345	V	98.6	Very high	98.2	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	168.3	174.1	-64.1	0	0	0	0	109.6	P203 F204 L206 A350 M353	P203-V345 CarbonylContact C-O 3.53Å; P203-V345 VanDerWaalsContact CA-O 3.31Å; P203-V345 WeakPolarHBondContact CA-O 3.46Å; F204-V345 HydrophobicContact CE2-CG2 4.1Å; F204-V345 HydrophobicContact CZ-CG2 4.04Å; F204-V345 PolarHBondContact N-O 3.08Å; F204-V345 PolarHBondContact O-N 3.35Å; L206-V345 HydrophobicContact CD1-CG1 3.76Å; L206-V345 HydrophobicContact CD2-CB 4.38Å; L206-V345 HydrophobicContact CD2-CG1 4.06Å; L206-V345 HydrophobicContact CD2-CG2 3.45Å; L206-V345 VanDerWaalsContact CD2-CG2 3.45Å; L206-V345 HydrophobicContact CG-CB 4.34Å; L206-V345 HydrophobicContact CG-CG1 3.74Å; L206-V345 HydrophobicContact CG-CG2 3.68Å; V345-A350 HydrophobicContact CB-CB 4.23Å; V345-A350 HydrophobicContact CG2-CB 3.88Å; V345-M353 HydrophobicContact CG1-CE 3.76Å; V345-M353 HydrophobicContact CG1-SD 4.35Å
346	T	98.8	Very high	98.3	Very high	14 Å²	14	6 Å²	6	9%	0.086	3%	0.029	C	C	.	.			trans	-103.3	168.5	163.6	61.6	0	0	0	0	108.9	T200 K201 Y293 E348 S349 A350	T200-T346 WeakPolarHBondContact O-CB 3.25Å; K201-T346 WeakPolarHBondContact O-CG2 3.25Å; Y293-T346 HydrophobicContact CD1-CG2 3.78Å; Y293-T346 HydrophobicContact CE1-CG2 4.44Å; Y293-T346 HydrophobicContact CG-CG2 4.29Å; T346-E348 PolarHBondContact O-N 3.5Å; T346-E348 PolarHBondContact OG1-N 3.19Å; T346-S349 PolarHBondContact N-OG 2.98Å; T346-S349 PolarHBondContact O-N 3.46Å; T346-S349 PolarHBondContact O-OG 3.26Å; T346-S349 PolarHBondContact OG1-N 2.83Å; T346-S349 PolarHBondContact OG1-OG 3.18Å; T346-S349 VanDerWaalsContact OG1-OG 3.14Å; T346-A350 WeakPolarHBondContact O-CB 3.31Å; T346-A350 PolarHBondContact O-N 3.26Å; T346-A350 VanDerWaalsContact O-N 3.08Å
347	C	98.7	Very high	98.4	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-58.2	-39.7	171.5	-62.3	0	0	0	0	110.5	A186 T200 A350 S351 M422 W424	A186-C347 HydrophobicContact CB-CB 3.6Å; A186-C347 VanDerWaalsContact CB-O 3.27Å; A186-C347 WeakPolarHBondContact CB-O 3.43Å; T200-C347 HydrophobicContact CG2-CB 4.2Å; T200-C347 WeakPolarHBondContact O-CB 3.4Å; T200-C347 PolarHBondContact O-N 2.85Å; C347-A350 PolarHBondContact O-N 3.44Å; C347-S351 WeakPolarHBondContact O-CB 3.32Å; C347-S351 PolarHBondContact O-N 3.14Å; C347-M422 HydrophobicContact CB-CB 4.46Å; C347-M422 HydrophobicContact CB-CG 4.17Å; C347-W424 WeakPolarHBondContact SG-CB 3.25Å
348	E	98.6	Very high	98.4	Very high	20 Å²	20	5.9 Å²	5.9	9%	0.093	3%	0.029	C	C	.	.	H	α-helix	trans	-60.7	-52.1	-178.1	-56.1	-158.9	-167.9	0	0	112	R92 R194 T196 T200 K201 T346 S351 V352	R92-E348 IonicContact CZ-OE2 3.04Å; R92-E348 IonicContact NH1-OE2 3.96Å; R92-E348 PolarHBondContact NH1-OE2 3.3Å; R92-E348 IonicContact NH2-OE2 2.73Å; R194-E348 IonicContact NH2-OE2 2.72Å; T196-E348 HydrophobicContact CG2-CG 3.78Å; T200-E348 PolarHBondContact OG1-OE1 2.87Å; T200-E348 VanDerWaalsContact OG1-OE1 3.13Å; K201-E348 VanDerWaalsContact CE-OE1 3.24Å; K201-E348 WeakPolarHBondContact CE-OE1 3.18Å; K201-E348 WeakPolarHBondContact CG-OE1 3.41Å; T346-E348 PolarHBondContact O-N 3.5Å; T346-E348 PolarHBondContact OG1-N 3.19Å; E348-S351 PolarHBondContact O-N 2.95Å; E348-S351 PolarHBondContact O-OG 3.46Å; E348-V352 PolarHBondContact O-N 2.84Å
349	S	98.5	Very high	98.5	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-68.3	-38.7	-178.9	55.9	0	0	0	0	112.3	E292 Y293 T346 S351 V352 M353	E292-S349 WeakPolarHBondContact OE2-CA 3.42Å; E292-S349 PolarHBondContact OE2-N 2.79Å; Y293-S349 WeakPolarHBondContact O-CB 3.35Å; Y293-S349 PolarHBondContact O-OG 2.76Å; T346-S349 PolarHBondContact N-OG 2.98Å; T346-S349 PolarHBondContact O-N 3.46Å; T346-S349 PolarHBondContact O-OG 3.26Å; T346-S349 PolarHBondContact OG1-N 2.83Å; T346-S349 PolarHBondContact OG1-OG 3.18Å; T346-S349 VanDerWaalsContact OG1-OG 3.14Å; S349-S351 PolarHBondContact O-N 3.41Å; S349-V352 WeakPolarHBondContact O-CB 3.4Å; S349-V352 PolarHBondContact O-N 3.02Å; S349-M353 PolarHBondContact O-N 2.97Å; S349-M353 VanDerWaalsContact O-N 3.15Å
350	A	98.7	Very high	98.5	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-71.7	-29	178.7	0	0	0	0	0	113.4	V345 T346 C347 V352 M353 A354 M422	V345-A350 HydrophobicContact CB-CB 4.23Å; V345-A350 HydrophobicContact CG2-CB 3.88Å; T346-A350 WeakPolarHBondContact O-CB 3.31Å; T346-A350 PolarHBondContact O-N 3.26Å; T346-A350 VanDerWaalsContact O-N 3.08Å; C347-A350 PolarHBondContact O-N 3.44Å; A350-V352 VanDerWaalsContact C-N 3.26Å; A350-V352 PolarHBondContact O-N 2.9Å; A350-M353 WeakPolarHBondContact O-CB 3.42Å; A350-M353 PolarHBondContact O-N 2.86Å; A350-A354 PolarHBondContact O-N 3.48Å; A350-M422 HydrophobicContact CB-CB 4.02Å; A350-M422 HydrophobicContact CB-CE 3.33Å; A350-M422 HydrophobicContact CB-CG 3.88Å; A350-M422 HydrophobicContact CB-SD 4.45Å
351	S	98.8	Very high	98.5	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-62.7	-35.3	171.5	74.4	0	0	0	0	111.7	A186 C347 E348 S349 A354 A355	A186-S351 WeakPolarHBondContact O-CB 3.46Å; C347-S351 WeakPolarHBondContact O-CB 3.32Å; C347-S351 PolarHBondContact O-N 3.14Å; E348-S351 PolarHBondContact O-N 2.95Å; E348-S351 PolarHBondContact O-OG 3.46Å; S349-S351 PolarHBondContact O-N 3.41Å; S351-A354 PolarHBondContact O-N 3.4Å; S351-A355 VanDerWaalsContact O-CB 3.3Å; S351-A355 WeakPolarHBondContact O-CB 3.28Å; S351-A355 PolarHBondContact O-N 3.22Å
352	V	98.8	Very high	98.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-68.8	-41.2	173.7	-176.7	0	0	0	0	110.6	C188 L288 E348 S349 A350 A354 A355 T356 P364 I365	C188-V352 HydrophobicContact CB-CG2 4.3Å; L288-V352 CarbonylContact O-C 3.59Å; E348-V352 PolarHBondContact O-N 2.84Å; S349-V352 WeakPolarHBondContact O-CB 3.4Å; S349-V352 PolarHBondContact O-N 3.02Å; A350-V352 VanDerWaalsContact C-N 3.26Å; A350-V352 PolarHBondContact O-N 2.9Å; V352-A354 PolarHBondContact O-N 3.19Å; V352-A355 CarbonylContact O-C 3.5Å; V352-A355 PolarHBondContact O-N 3.29Å; V352-A355 VanDerWaalsContact O-N 3.13Å; V352-T356 PolarHBondContact O-N 3.15Å; V352-T356 PolarHBondContact O-OG1 3.25Å; V352-P364 HydrophobicContact CG1-CG 4.26Å; V352-I365 HydrophobicContact CG1-CD1 4.01Å; V352-I365 HydrophobicContact CG1-CG1 3.93Å; V352-I365 HydrophobicContact CG2-CD1 4.29Å
353	M	98.8	Very high	98.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-58.9	-45.6	173.9	-61.5	179.2	-179.1	0	0	111.9	L213 M285 L288 A289 V294 V345 S349 A350 A355 T356 L357	L213-M353 HydrophobicContact CD1-SD 3.88Å; M285-M353 HydrophobicContact CB-CE 4.2Å; L288-M353 HydrophobicContact CB-CB 4.34Å; L288-M353 HydrophobicContact CB-CG 3.97Å; L288-M353 WeakPolarHBondContact O-CA 3.47Å; L288-M353 PolarHBondContact O-N 2.91Å; A289-M353 HydrophobicContact CB-CE 3.73Å; A289-M353 HydrophobicContact CB-CG 3.93Å; V294-M353 HydrophobicContact CG1-CE 4.48Å; V294-M353 HydrophobicContact CG2-CE 3.62Å; V345-M353 HydrophobicContact CG1-CE 3.76Å; V345-M353 HydrophobicContact CG1-SD 4.35Å; S349-M353 PolarHBondContact O-N 2.97Å; S349-M353 VanDerWaalsContact O-N 3.15Å; A350-M353 WeakPolarHBondContact O-CB 3.42Å; A350-M353 PolarHBondContact O-N 2.86Å; M353-A355 VanDerWaalsContact C-N 3.31Å; M353-A355 PolarHBondContact O-N 3.48Å; M353-T356 WeakPolarHBondContact O-CB 3.35Å; M353-T356 PolarHBondContact O-N 3.13Å; M353-L357 PolarHBondContact O-N 3.49Å
354	A	98.8	Very high	98.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61.5	-40.3	174.5	0	0	0	0	0	111.8	A350 S351 V352 T356 L357 A358 L412 V414 G420	A350-A354 PolarHBondContact O-N 3.48Å; S351-A354 PolarHBondContact O-N 3.4Å; V352-A354 PolarHBondContact O-N 3.19Å; A354-T356 VanDerWaalsContact C-N 3.33Å; A354-T356 PolarHBondContact O-N 2.86Å; A354-L357 WeakPolarHBondContact O-CB 3.39Å; A354-L357 PolarHBondContact O-N 3.16Å; A354-L357 VanDerWaalsContact O-N 3.17Å; A354-A358 PolarHBondContact O-N 3.42Å; A354-L412 HydrophobicContact CB-CD1 3.7Å; A354-L412 HydrophobicContact CB-CG 4.17Å; A354-V414 HydrophobicContact CB-CG2 4.18Å; A354-G420 VanDerWaalsContact CB-CA 3.47Å
355	A	98.8	Very high	98.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-70.1	-30.9	-180	0	0	0	0	0	112.1	C188 S351 V352 M353 L357 A358 N359 P364	C188-A355 HydrophobicContact CB-CB 3.79Å; C188-A355 WeakPolarHBondContact O-CB 3.29Å; S351-A355 VanDerWaalsContact O-CB 3.3Å; S351-A355 WeakPolarHBondContact O-CB 3.28Å; S351-A355 PolarHBondContact O-N 3.22Å; V352-A355 CarbonylContact O-C 3.5Å; V352-A355 PolarHBondContact O-N 3.29Å; V352-A355 VanDerWaalsContact O-N 3.13Å; M353-A355 VanDerWaalsContact C-N 3.31Å; M353-A355 PolarHBondContact O-N 3.48Å; A355-L357 VanDerWaalsContact C-N 3.3Å; A355-L357 PolarHBondContact O-N 3.24Å; A355-A358 CarbonylContact O-C 3.59Å; A355-A358 WeakPolarHBondContact O-CB 3.2Å; A355-A358 PolarHBondContact O-N 3.32Å; A355-A358 VanDerWaalsContact O-N 3.16Å; A355-N359 VanDerWaalsContact O-CB 3.25Å; A355-N359 WeakPolarHBondContact O-CB 3.43Å; A355-N359 PolarHBondContact O-N 2.82Å; A355-P364 HydrophobicContact CB-CG 3.75Å
356	T	98.8	Very high	98.5	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.8	-38.3	170.2	-59.8	0	0	0	0	111.5	L288 V352 M353 A354 N359 G361 C363 P364 V370	L288-T356 HydrophobicContact CD2-CG2 3.56Å; L288-T356 PolarHBondContact O-OG1 2.8Å; V352-T356 PolarHBondContact O-N 3.15Å; V352-T356 PolarHBondContact O-OG1 3.25Å; M353-T356 WeakPolarHBondContact O-CB 3.35Å; M353-T356 PolarHBondContact O-N 3.13Å; A354-T356 VanDerWaalsContact C-N 3.33Å; A354-T356 PolarHBondContact O-N 2.86Å; T356-N359 PolarHBondContact O-N 3.48Å; T356-G361 VanDerWaalsContact O-CA 3.31Å; T356-G361 WeakPolarHBondContact O-CA 3.31Å; T356-G361 PolarHBondContact O-N 3.3Å; T356-C363 HydrophobicContact CG2-CB 4.42Å; T356-C363 WeakPolarHBondContact OG1-CA 3.45Å; T356-P364 WeakPolarHBondContact OG1-CD 3.25Å; T356-V370 HydrophobicContact CG2-CB 4.33Å; T356-V370 HydrophobicContact CG2-CG2 4.32Å
357	L	98.8	Very high	98.4	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-69.1	-40.8	170.9	-60.8	176.5	0	0	0	111.7	L213 M353 A354 A355 N359 G360 L371 V376 L380 M383 V414	L213-L357 HydrophobicContact CD2-CD1 4.11Å; M353-L357 PolarHBondContact O-N 3.49Å; A354-L357 WeakPolarHBondContact O-CB 3.39Å; A354-L357 PolarHBondContact O-N 3.16Å; A354-L357 VanDerWaalsContact O-N 3.17Å; A355-L357 VanDerWaalsContact C-N 3.3Å; A355-L357 PolarHBondContact O-N 3.24Å; L357-N359 PolarHBondContact O-N 2.86Å; L357-G360 PolarHBondContact O-N 3.04Å; L357-L371 HydrophobicContact CD2-CD1 3.77Å; L357-V376 HydrophobicContact CB-CG1 4.48Å; L357-V376 HydrophobicContact CD2-CG1 4.47Å; L357-V376 HydrophobicContact CD2-CG2 4.22Å; L357-V376 WeakPolarHBondContact O-CG1 3.27Å; L357-L380 HydrophobicContact CB-CD2 4.22Å; L357-M383 HydrophobicContact CD1-SD 4.24Å; L357-V414 HydrophobicContact CB-CG1 4.42Å; L357-V414 HydrophobicContact CB-CG2 4.24Å; L357-V414 HydrophobicContact CD1-CG2 4.28Å
358	A	98.7	Very high	98.3	Very high	2 Å²	2	17.2 Å²	17.2	2%	0.017	11%	0.105	C	C	.	.	H	α-helix	trans	-59.8	-32.9	175.7	0	0	0	0	0	112.4	V190 A354 A355 G360 V414 N417	V190-A358 HydrophobicContact CG1-CB 3.77Å; A354-A358 PolarHBondContact O-N 3.42Å; A355-A358 CarbonylContact O-C 3.59Å; A355-A358 WeakPolarHBondContact O-CB 3.2Å; A355-A358 PolarHBondContact O-N 3.32Å; A355-A358 VanDerWaalsContact O-N 3.16Å; A358-G360 VanDerWaalsContact C-N 3.33Å; A358-G360 PolarHBondContact O-N 3.01Å; A358-V414 HydrophobicContact CB-CG1 3.74Å; A358-N417 WeakPolarHBondContact O-CA 3.35Å; A358-N417 PolarHBondContact O-N 3.35Å
359	N	98.6	Very high	98.3	Very high	51 Å²	51	23.2 Å²	23.2	27%	0.273	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	26.9	-176.4	-162.4	29.1	0	0	0	113.4	V190 A355 T356 L357 G361 F362	V190-N359 HydrophobicContact CB-CB 3.93Å; V190-N359 HydrophobicContact CG1-CB 3.73Å; A355-N359 VanDerWaalsContact O-CB 3.25Å; A355-N359 WeakPolarHBondContact O-CB 3.43Å; A355-N359 PolarHBondContact O-N 2.82Å; T356-N359 PolarHBondContact O-N 3.48Å; L357-N359 PolarHBondContact O-N 2.86Å; N359-G361 PolarHBondContact O-N 2.93Å; N359-G361 VanDerWaalsContact O-N 3.12Å; N359-F362 WeakPolarHBondContact CB-O 3.33Å; N359-F362 PolarHBondContact ND2-O 2.91Å; N359-F362 PolarHBondContact O-N 3.45Å
360	G	98.1	Very high	98.3	Very high	26 Å²	26	23.4 Å²	23.4	27%	0.268	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	20.9	174.6	0	0	0	0	0	114.9	L357 A358	L357-G360 PolarHBondContact O-N 3.04Å; A358-G360 VanDerWaalsContact C-N 3.33Å; A358-G360 PolarHBondContact O-N 3.01Å
361	G	97.9	Very high	98.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.7	3	177.6	0	0	0	0	0	114.7	T356 N359 V370 L371	T356-G361 VanDerWaalsContact O-CA 3.31Å; T356-G361 WeakPolarHBondContact O-CA 3.31Å; T356-G361 PolarHBondContact O-N 3.3Å; N359-G361 PolarHBondContact O-N 2.93Å; N359-G361 VanDerWaalsContact O-N 3.12Å; G361-V370 PolarHBondContact O-N 3.23Å; G361-L371 PolarHBondContact O-N 3.02Å; G361-L371 VanDerWaalsContact O-N 3.16Å
362	F	98.6	Very high	98.2	Very high	86 Å²	86	24.2 Å²	24.2	38%	0.377	13%	0.134	S	C	.	.	B	Isolated β-bridge	trans	-93.8	126.2	172.3	-66.7	-96.1	0	0	0	110.4	N359 E368 R369	N359-F362 WeakPolarHBondContact CB-O 3.33Å; N359-F362 PolarHBondContact ND2-O 2.91Å; N359-F362 PolarHBondContact O-N 3.45Å; F362-E368 CarbonylContact C-O 3.57Å; F362-E368 WeakPolarHBondContact CA-O 3.44Å; F362-R369 HydrophobicContact CD1-CB 3.83Å; F362-R369 HydrophobicContact CD1-CG 4.32Å; F362-R369 HydrophobicContact CE1-CB 3.6Å; F362-R369 HydrophobicContact CE1-CG 3.94Å; F362-R369 HydrophobicContact CE2-CG 4.45Å; F362-R369 HydrophobicContact CZ-CB 4.19Å; F362-R369 HydrophobicContact CZ-CG 4.01Å
363	C	98.6	Very high	98.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.155	C	C	.	.			trans	-67.5	122.1	178.3	177	0	0	0	0	110	G290 T356 I365 T366 G367 E368 V370	G290-C363 VanDerWaalsContact CA-SG 3.59Å; T356-C363 HydrophobicContact CG2-CB 4.42Å; T356-C363 WeakPolarHBondContact OG1-CA 3.45Å; C363-I365 VanDerWaalsContact C-N 3.28Å; C363-I365 PolarHBondContact O-N 3.02Å; C363-T366 VanDerWaalsContact CB-OG1 3.31Å; C363-T366 WeakPolarHBondContact CB-OG1 3.28Å; C363-T366 PolarHBondContact O-N 3.4Å; C363-G367 WeakPolarHBondContact O-CA 3.22Å; C363-G367 PolarHBondContact O-N 3.2Å; C363-E368 PolarHBondContact N-O 2.82Å; C363-V370 HydrophobicContact CB-CG2 3.95Å
364	P	98.2	Very high	98.2	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.013	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-28.8	-169	26.7	-36.5	0	0	0	113	R97 T189 V190 V352 A355 T356	R97-P364 PolarHBondContact NE-O 3.33Å; R97-P364 PolarHBondContact NH1-O 3.45Å; R97-P364 PolarHBondContact NH2-O 2.97Å; T189-P364 WeakPolarHBondContact O-CB 3.4Å; V190-P364 VanDerWaalsContact O-CB 3.27Å; V190-P364 WeakPolarHBondContact O-CB 3.27Å; V352-P364 HydrophobicContact CG1-CG 4.26Å; A355-P364 HydrophobicContact CB-CG 3.75Å; T356-P364 WeakPolarHBondContact OG1-CD 3.25Å
365	I	97.9	Very high	98.2	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.021	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-6.1	-176.8	63.4	166.3	0	0	0	114	P96 R97 E292 V352 C363	P96-I365 WeakPolarHBondContact CD-O 3.46Å; R97-I365 WeakPolarHBondContact CG-O 3.49Å; E292-I365 HydrophobicContact CG-CD1 4.47Å; V352-I365 HydrophobicContact CG1-CD1 4.01Å; V352-I365 HydrophobicContact CG1-CG1 3.93Å; V352-I365 HydrophobicContact CG2-CD1 4.29Å; C363-I365 VanDerWaalsContact C-N 3.28Å; C363-I365 PolarHBondContact O-N 3.02Å
366	T	97.6	Very high	98.2	Very high	45 Å²	45	31.3 Å²	31.3	28%	0.276	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-25.4	176.3	67.4	0	0	0	0	113.1	P96 C363 E368	P96-T366 HydrophobicContact CB-CG2 4.43Å; P96-T366 HydrophobicContact CG-CG2 4.29Å; C363-T366 VanDerWaalsContact CB-OG1 3.31Å; C363-T366 WeakPolarHBondContact CB-OG1 3.28Å; C363-T366 PolarHBondContact O-N 3.4Å; T366-E368 PolarHBondContact O-N 3.48Å; T366-E368 PolarHBondContact OG1-N 3.5Å
367	G	95.8	Very high	98.1	Very high	51 Å²	51	39 Å²	39	53%	0.526	20%	0.202	S	C	.	.			trans	76.3	2.8	-171.9	0	0	0	0	0	114.2	C363	C363-G367 WeakPolarHBondContact O-CA 3.22Å; C363-G367 PolarHBondContact O-N 3.2Å
368	E	97.6	Very high	98.1	Very high	74 Å²	74	40 Å²	40	35%	0.346	21%	0.208	S	C	.	.			trans	-72.1	136	178.4	-172.5	-178.9	173.5	0	0	110.8	K287 F362 C363 T366 V370	K287-E368 WeakPolarHBondContact CD-OE1 3.23Å; K287-E368 VanDerWaalsContact CE-OE1 3.24Å; K287-E368 WeakPolarHBondContact CE-OE1 3.33Å; K287-E368 IonicContact NZ-OE1 3.41Å; K287-E368 PolarHBondContact NZ-OE1 2.87Å; F362-E368 CarbonylContact C-O 3.57Å; F362-E368 WeakPolarHBondContact CA-O 3.44Å; C363-E368 PolarHBondContact N-O 2.82Å; T366-E368 PolarHBondContact O-N 3.48Å; T366-E368 PolarHBondContact OG1-N 3.5Å; E368-V370 PolarHBondContact O-N 3.16Å
369	R	97.9	Very high	98.1	Very high	146 Å²	146	40 Å²	40	55%	0.551	21%	0.207	S	C	*	.	B	Isolated β-bridge	trans	-78.1	106.3	168.8	-173.6	178.6	174.4	-175.8	-3.8	109.5	F362	F362-R369 HydrophobicContact CD1-CB 3.83Å; F362-R369 HydrophobicContact CD1-CG 4.32Å; F362-R369 HydrophobicContact CE1-CB 3.6Å; F362-R369 HydrophobicContact CE1-CG 3.94Å; F362-R369 HydrophobicContact CE2-CG 4.45Å; F362-R369 HydrophobicContact CZ-CB 4.19Å; F362-R369 HydrophobicContact CZ-CG 4.01Å
370	V	98.1	Very high	98.1	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.024	20%	0.199	C	C	.	.			trans	-94.3	-38.3	-176.7	-169.8	0	0	0	0	111.9	F284 K287 L288 T356 G361 C363 E368	F284-V370 HydrophobicContact CD1-CG1 4.14Å; F284-V370 WeakPolarHBondContact CE1-O 3.4Å; K287-V370 HydrophobicContact CB-CB 4.43Å; K287-V370 HydrophobicContact CB-CG1 3.66Å; K287-V370 HydrophobicContact CB-CG2 3.9Å; L288-V370 HydrophobicContact CD2-CB 4.09Å; L288-V370 HydrophobicContact CD2-CG1 3.66Å; L288-V370 HydrophobicContact CG-CG1 3.8Å; T356-V370 HydrophobicContact CG2-CB 4.33Å; T356-V370 HydrophobicContact CG2-CG2 4.32Å; G361-V370 PolarHBondContact O-N 3.23Å; C363-V370 HydrophobicContact CB-CG2 3.95Å; E368-V370 PolarHBondContact O-N 3.16Å
371	L	98.3	Very high	98.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-125.7	161.9	-177.1	-68.4	170.1	0	0	0	111.8	A216 H220 F284 L288 L357 G361 V376	A216-L371 HydrophobicContact CB-CD1 3.79Å; A216-L371 HydrophobicContact CB-CD2 4.1Å; H220-L371 HydrophobicContact CB-CD2 4.04Å; F284-L371 HydrophobicContact CD1-CD2 4.37Å; F284-L371 HydrophobicContact CE1-CD2 4.3Å; L288-L371 HydrophobicContact CD2-CD1 3.69Å; L288-L371 HydrophobicContact CD2-CG 4.05Å; L357-L371 HydrophobicContact CD2-CD1 3.77Å; G361-L371 PolarHBondContact O-N 3.02Å; G361-L371 VanDerWaalsContact O-N 3.16Å; L371-V376 HydrophobicContact CB-CG2 3.78Å; L371-V376 HydrophobicContact CD1-CG2 4.06Å
372	S	98.4	Very high	98.1	Very high	17 Å²	17	41 Å²	41	12%	0.119	21%	0.212	C	C	.	.			trans	-77.5	142.5	169.7	63.5	0	0	0	0	109.4	H220 E374 A375 V376	H220-S372 PolarHBondContact ND1-N 3.46Å; S372-E374 PolarHBondContact O-N 3.32Å; S372-E374 VanDerWaalsContact O-N 3.17Å; S372-A375 WeakPolarHBondContact O-CB 3.38Å; S372-A375 PolarHBondContact O-N 2.85Å; S372-A375 VanDerWaalsContact OG-CB 3.28Å; S372-A375 WeakPolarHBondContact OG-CB 3.43Å; S372-A375 PolarHBondContact OG-N 2.9Å; S372-V376 WeakPolarHBondContact O-CG2 3.4Å; S372-V376 PolarHBondContact O-N 2.92Å; S372-V376 VanDerWaalsContact O-N 3.09Å
373	P	98.1	Very high	98.1	Very high	67 Å²	67	37 Å²	37	44%	0.435	19%	0.194	S	C	.	.	H	α-helix	trans	-57.8	-30.3	176.3	-27.8	35.5	0	0	0	113.2	V376 R377	P373-V376 PolarHBondContact O-N 2.84Å; P373-R377 WeakPolarHBondContact O-CB 3.44Å; P373-R377 PolarHBondContact O-N 3.41Å
374	E	98.2	Very high	98	Very high	78 Å²	78	38.7 Å²	38.7	36%	0.364	20%	0.202	S	C	.	.	H	α-helix	trans	-61.1	-51.2	172.8	-179.2	-174	177.1	0	0	111.9	T224 S372 V376 R377 N378	T224-E374 WeakPolarHBondContact CB-OE1 3.36Å; T224-E374 PolarHBondContact N-OE1 3.46Å; T224-E374 VanDerWaalsContact OG1-CD 3.3Å; T224-E374 WeakPolarHBondContact OG1-CG 3.41Å; T224-E374 PolarHBondContact OG1-OE1 3.29Å; S372-E374 PolarHBondContact O-N 3.32Å; S372-E374 VanDerWaalsContact O-N 3.17Å; E374-V376 VanDerWaalsContact C-N 3.29Å; E374-V376 PolarHBondContact O-N 3.34Å; E374-R377 PolarHBondContact O-N 3.27Å; E374-N378 VanDerWaalsContact O-CG 3.24Å; E374-N378 PolarHBondContact O-N 2.91Å; E374-N378 PolarHBondContact O-OD1 3.48Å
375	A	98.6	Very high	97.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.1	-42.9	177.6	0	0	0	0	0	111.5	A216 V219 H220 S372 T379	A216-A375 WeakPolarHBondContact O-CB 3.48Å; V219-A375 HydrophobicContact CB-CB 3.88Å; V219-A375 HydrophobicContact CG1-CB 3.81Å; H220-A375 HydrophobicContact CB-CB 4.28Å; S372-A375 WeakPolarHBondContact O-CB 3.38Å; S372-A375 PolarHBondContact O-N 2.85Å; S372-A375 VanDerWaalsContact OG-CB 3.28Å; S372-A375 WeakPolarHBondContact OG-CB 3.43Å; S372-A375 PolarHBondContact OG-N 2.9Å; A375-T379 VanDerWaalsContact O-CB 3.28Å; A375-T379 WeakPolarHBondContact O-CB 3.42Å; A375-T379 PolarHBondContact O-N 3.42Å; A375-T379 PolarHBondContact O-OG1 2.87Å
376	V	98.7	Very high	97.7	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.024	22%	0.217	C	C	.	.	H	α-helix	trans	-63.3	-50.9	178.5	174.9	0	0	0	0	111.1	L357 L371 S372 P373 E374 N378 T379 L380	L357-V376 HydrophobicContact CB-CG1 4.48Å; L357-V376 HydrophobicContact CD2-CG1 4.47Å; L357-V376 HydrophobicContact CD2-CG2 4.22Å; L357-V376 WeakPolarHBondContact O-CG1 3.27Å; L371-V376 HydrophobicContact CB-CG2 3.78Å; L371-V376 HydrophobicContact CD1-CG2 4.06Å; S372-V376 WeakPolarHBondContact O-CG2 3.4Å; S372-V376 PolarHBondContact O-N 2.92Å; S372-V376 VanDerWaalsContact O-N 3.09Å; P373-V376 PolarHBondContact O-N 2.84Å; E374-V376 VanDerWaalsContact C-N 3.29Å; E374-V376 PolarHBondContact O-N 3.34Å; V376-N378 VanDerWaalsContact C-N 3.34Å; V376-N378 PolarHBondContact O-N 2.82Å; V376-T379 PolarHBondContact O-N 3.21Å; V376-L380 HydrophobicContact CG1-CD1 3.93Å; V376-L380 HydrophobicContact CG1-CG 4.35Å; V376-L380 WeakPolarHBondContact O-CG 3.46Å; V376-L380 PolarHBondContact O-N 2.89Å
377	R	98.5	Very high	97.4	Very high	160 Å²	160	38.6 Å²	38.6	60%	0.604	20%	0.204	S	C	*	.	H	α-helix	trans	-55.2	-49.5	179	179.5	-178.6	63.7	-167.7	-3.6	111.4	P373 E374 T379 L380 S381	P373-R377 WeakPolarHBondContact O-CB 3.44Å; P373-R377 PolarHBondContact O-N 3.41Å; E374-R377 PolarHBondContact O-N 3.27Å; R377-T379 VanDerWaalsContact C-N 3.32Å; R377-T379 PolarHBondContact O-N 2.94Å; R377-L380 PolarHBondContact O-N 3.33Å; R377-S381 PolarHBondContact O-N 3.32Å; R377-S381 PolarHBondContact O-OG 3.16Å; R377-S381 VanDerWaalsContact O-OG 3.1Å
378	N	98.4	Very high	97.3	Very high	24 Å²	24	36.3 Å²	36.3	13%	0.128	18%	0.179	C	C	.	.	H	α-helix	trans	-65.7	-39	-178.4	-61.6	-5.4	0	0	0	111.9	Y215 T224 E374 V376 S381 L382	Y215-N378 HydrophobicContact CE1-CB 3.97Å; Y215-N378 WeakPolarHBondContact OH-CB 3.49Å; T224-N378 WeakPolarHBondContact CG2-ND2 3.46Å; T224-N378 PolarHBondContact OG1-ND2 3.28Å; E374-N378 VanDerWaalsContact O-CG 3.24Å; E374-N378 PolarHBondContact O-N 2.91Å; E374-N378 PolarHBondContact O-OD1 3.48Å; V376-N378 VanDerWaalsContact C-N 3.34Å; V376-N378 PolarHBondContact O-N 2.82Å; N378-S381 PolarHBondContact O-N 2.82Å; N378-L382 WeakPolarHBondContact O-CG 3.38Å; N378-L382 PolarHBondContact O-N 3.3Å
379	T	98.7	Very high	97	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.5	-46.7	177.8	-59.3	0	0	0	0	110.6	P212 Y215 A216 A375 V376 R377 S381 L382 M383	P212-T379 HydrophobicContact CB-CG2 3.56Å; P212-T379 WeakPolarHBondContact O-CG2 3.33Å; Y215-T379 HydrophobicContact CD1-CG2 4.42Å; Y215-T379 VanDerWaalsContact CD1-OG1 3.31Å; Y215-T379 WeakPolarHBondContact CD1-OG1 3.19Å; A216-T379 HydrophobicContact CB-CG2 4.42Å; A216-T379 WeakPolarHBondContact CB-OG1 3.47Å; A375-T379 VanDerWaalsContact O-CB 3.28Å; A375-T379 WeakPolarHBondContact O-CB 3.42Å; A375-T379 PolarHBondContact O-N 3.42Å; A375-T379 PolarHBondContact O-OG1 2.87Å; V376-T379 PolarHBondContact O-N 3.21Å; R377-T379 VanDerWaalsContact C-N 3.32Å; R377-T379 PolarHBondContact O-N 2.94Å; T379-S381 PolarHBondContact O-N 3.2Å; T379-L382 PolarHBondContact O-N 2.77Å; T379-M383 HydrophobicContact CG2-CG 4.38Å; T379-M383 HydrophobicContact CG2-SD 3.96Å; T379-M383 WeakPolarHBondContact O-CB 3.45Å; T379-M383 VanDerWaalsContact O-CG 3.27Å; T379-M383 WeakPolarHBondContact O-CG 3.45Å; T379-M383 PolarHBondContact O-N 2.86Å
380	L	98.6	Very high	96.4	Very high	21 Å²	21	30.1 Å²	30.1	11%	0.11	16%	0.158	C	C	.	.	H	α-helix	trans	-63.7	-41	177.9	-66.1	176.3	0	0	0	112.2	L357 V376 R377 L382 M383 H384 P402 V414 P416	L357-L380 HydrophobicContact CB-CD2 4.22Å; V376-L380 HydrophobicContact CG1-CD1 3.93Å; V376-L380 HydrophobicContact CG1-CG 4.35Å; V376-L380 WeakPolarHBondContact O-CG 3.46Å; V376-L380 PolarHBondContact O-N 2.89Å; R377-L380 PolarHBondContact O-N 3.33Å; L380-L382 VanDerWaalsContact C-N 3.33Å; L380-L382 PolarHBondContact O-N 3.47Å; L380-M383 HydrophobicContact CD2-SD 4.36Å; L380-M383 PolarHBondContact O-N 2.83Å; L380-H384 WeakPolarHBondContact O-CB 3.38Å; L380-H384 PolarHBondContact O-N 3.04Å; L380-P402 HydrophobicContact CB-CB 4.39Å; L380-P402 HydrophobicContact CB-CG 4.26Å; L380-P402 HydrophobicContact CD2-CB 3.95Å; L380-P402 HydrophobicContact CD2-CG 4.27Å; L380-V414 HydrophobicContact CD2-CB 3.78Å; L380-V414 HydrophobicContact CD2-CG1 3.66Å; L380-V414 HydrophobicContact CD2-CG2 3.91Å; L380-P416 HydrophobicContact CD1-CG 4.31Å
381	S	97.9	Very high	96	Very high	70 Å²	70	31.4 Å²	31.4	49%	0.49	16%	0.163	S	C	.	.	H	α-helix	trans	-59.7	-43	175.3	-61.9	0	0	0	0	112.3	R377 N378 T379 H384 S385	R377-S381 PolarHBondContact O-N 3.32Å; R377-S381 PolarHBondContact O-OG 3.16Å; R377-S381 VanDerWaalsContact O-OG 3.1Å; N378-S381 PolarHBondContact O-N 2.82Å; T379-S381 PolarHBondContact O-N 3.2Å; S381-H384 PolarHBondContact O-N 3Å; S381-S385 PolarHBondContact O-N 3.41Å; S381-S385 PolarHBondContact O-OG 3.35Å
382	L	97.7	Very high	95.7	Very high	8 Å²	8	31.8 Å²	31.8	4%	0.042	17%	0.165	C	C	.	.	H	α-helix	trans	-75.8	-32.2	179.4	-67.8	169.3	0	0	0	112.7	Y215 K233 N254 P255 M256 N378 T379 L380 H384 C386	Y215-L382 HydrophobicContact CD1-CD1 4.25Å; Y215-L382 HydrophobicContact CE1-CD1 3.59Å; Y215-L382 HydrophobicContact CE2-CD1 4.13Å; K233-L382 WeakPolarHBondContact O-CD2 3.44Å; N254-L382 HydrophobicContact CB-CD2 4.47Å; P255-L382 HydrophobicContact CG-CD1 3.6Å; M256-L382 HydrophobicContact CE-CB 3.88Å; M256-L382 HydrophobicContact CG-CB 4.47Å; N378-L382 WeakPolarHBondContact O-CG 3.38Å; N378-L382 PolarHBondContact O-N 3.3Å; T379-L382 PolarHBondContact O-N 2.77Å; L380-L382 VanDerWaalsContact C-N 3.33Å; L380-L382 PolarHBondContact O-N 3.47Å; L382-H384 VanDerWaalsContact C-N 3.3Å; L382-C386 WeakPolarHBondContact O-CA 3.32Å; L382-C386 VanDerWaalsContact O-CB 3.27Å; L382-C386 WeakPolarHBondContact O-CB 3.47Å; L382-C386 PolarHBondContact O-N 2.84Å
383	M	98	Very high	95.3	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-62.9	-39.4	170.3	-76.7	175.7	68.5	0	0	111.2	P212 M256 L357 T379 L380 G387 P402 K404 L412 V414	P212-M383 HydrophobicContact CB-CG 3.82Å; P212-M383 HydrophobicContact CB-SD 3.64Å; P212-M383 HydrophobicContact CG-CG 3.83Å; P212-M383 HydrophobicContact CG-SD 3.97Å; M256-M383 HydrophobicContact CE-CG 4.08Å; L357-M383 HydrophobicContact CD1-SD 4.24Å; T379-M383 HydrophobicContact CG2-CG 4.38Å; T379-M383 HydrophobicContact CG2-SD 3.96Å; T379-M383 WeakPolarHBondContact O-CB 3.45Å; T379-M383 VanDerWaalsContact O-CG 3.27Å; T379-M383 WeakPolarHBondContact O-CG 3.45Å; T379-M383 PolarHBondContact O-N 2.86Å; L380-M383 HydrophobicContact CD2-SD 4.36Å; L380-M383 PolarHBondContact O-N 2.83Å; M383-G387 WeakPolarHBondContact O-CA 3.5Å; M383-G387 PolarHBondContact O-N 3.43Å; M383-G387 VanDerWaalsContact O-N 3.15Å; M383-P402 HydrophobicContact CB-CB 3.86Å; M383-K404 HydrophobicContact CE-CB 4.25Å; M383-L412 HydrophobicContact CE-CD2 4.34Å; M383-V414 HydrophobicContact CE-CG2 3.98Å
384	H	97.1	Very high	95	Very high	35 Å²	35	35.6 Å²	35.6	16%	0.162	19%	0.19	C	C	.	.	H	α-helix	trans	-62.8	-47.5	178.1	-179	67.6	0	0	0	112.2	L380 S381 L382 P402	L380-H384 WeakPolarHBondContact O-CB 3.38Å; L380-H384 PolarHBondContact O-N 3.04Å; S381-H384 PolarHBondContact O-N 3Å; L382-H384 VanDerWaalsContact C-N 3.3Å; H384-P402 HydrophobicContact CB-CG 4.39Å
385	S	94.8	Very high	94.9	Very high	39 Å²	39	32 Å²	32	27%	0.273	17%	0.173	S	C	.	.	H	α-helix	trans	-90.2	-24.8	-174.7	61.3	0	0	0	0	115.2	S381 S392	S381-S385 PolarHBondContact O-N 3.41Å; S381-S385 PolarHBondContact O-OG 3.35Å; S385-S392 VanDerWaalsContact O-CB 3.22Å; S385-S392 WeakPolarHBondContact O-CB 3.35Å
386	C	94	Very high	94.7	Very high	11 Å²	11	32.8 Å²	32.8	7%	0.074	18%	0.18	C	C	.	.	H	α-helix	trans	-129.4	6.4	-168.4	-53.3	0	0	0	0	114.2	M256 L382 S392	M256-C386 HydrophobicContact CB-CB 3.86Å; M256-C386 WeakPolarHBondContact CB-O 3.45Å; M256-C386 HydrophobicContact CG-CB 3.9Å; L382-C386 WeakPolarHBondContact O-CA 3.32Å; L382-C386 VanDerWaalsContact O-CB 3.27Å; L382-C386 WeakPolarHBondContact O-CB 3.47Å; L382-C386 PolarHBondContact O-N 2.84Å; C386-S392 VanDerWaalsContact C-OG 3.24Å
387	G	92.6	Very high	94.5	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	-83.4	-24.9	-165	0	0	0	0	0	117.3	M383 S392 A403 K404 S405	M383-G387 WeakPolarHBondContact O-CA 3.5Å; M383-G387 PolarHBondContact O-N 3.43Å; M383-G387 VanDerWaalsContact O-N 3.15Å; G387-S392 PolarHBondContact N-OG 3.04Å; G387-A403 VanDerWaalsContact CA-O 3.23Å; G387-A403 WeakPolarHBondContact CA-O 3.16Å; G387-K404 WeakPolarHBondContact O-CA 3.4Å; G387-K404 VanDerWaalsContact O-CD 3.25Å; G387-K404 WeakPolarHBondContact O-CD 3.48Å; G387-K404 WeakPolarHBondContact O-CE 3Å; G387-K404 PolarHBondContact O-NZ 3.33Å; G387-S405 PolarHBondContact O-N 3.25Å
388	M	93.7	Very high	94.3	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	21%	0.207	C	C	.	.	S	Bend	trans	-112.5	39.7	-169	-58.3	-60.5	-72.1	0	0	112.9	F391 S392 F395 A403 S405 I411 N433 I438	M388-F391 HydrophobicContact CB-CB 4.42Å; M388-F391 WeakPolarHBondContact O-CA 3.35Å; M388-F391 VanDerWaalsContact O-CB 3.26Å; M388-F391 WeakPolarHBondContact O-CB 3.31Å; M388-F391 PolarHBondContact O-N 3.1Å; M388-S392 WeakPolarHBondContact CA-OG 3.22Å; M388-S392 PolarHBondContact N-OG 3.04Å; M388-S392 PolarHBondContact O-N 3.29Å; M388-F395 HydrophobicContact CB-CB 4.23Å; M388-F395 HydrophobicContact CB-CG 4.4Å; M388-F395 HydrophobicContact CE-CD2 4.27Å; M388-F395 HydrophobicContact CE-CE2 4.19Å; M388-F395 HydrophobicContact CG-CB 4.07Å; M388-F395 HydrophobicContact CG-CD1 3.79Å; M388-F395 HydrophobicContact CG-CD2 4.19Å; M388-F395 HydrophobicContact CG-CE1 4.25Å; M388-F395 HydrophobicContact CG-CG 3.74Å; M388-A403 HydrophobicContact CG-CB 4.15Å; M388-A403 HydrophobicContact SD-CB 3.63Å; M388-S405 PolarHBondContact SD-N 3.05Å; M388-I411 HydrophobicContact CE-CD1 3.96Å; M388-I411 HydrophobicContact CE-CG1 4.38Å; M388-I411 HydrophobicContact CE-CG2 4.18Å; M388-I411 HydrophobicContact SD-CG2 4.38Å; M388-N433 HydrophobicContact CE-CB 4.46Å; M388-N433 PolarHBondContact O-ND2 2.67Å; M388-I438 HydrophobicContact CE-CG1 4.38Å
389	Y	89.9	Confident	94.2	Very high	30 Å²	30	36.7 Å²	36.7	12%	0.118	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	53.5	-139.2	-176.1	-54.5	-76.3	0	0	0	111.1	S208 F240 F391 S392 G432 N433	S208-Y389 WeakPolarHBondContact CB-OH 3.35Å; S208-Y389 PolarHBondContact OG-OH 3.37Å; F240-Y389 HydrophobicContact CD2-CD1 4.15Å; F240-Y389 HydrophobicContact CE2-CD1 4.45Å; F240-Y389 HydrophobicContact CG-CD1 4.28Å; Y389-F391 PolarHBondContact O-N 3.3Å; Y389-S392 PolarHBondContact N-OG 2.9Å; Y389-S392 WeakPolarHBondContact O-CB 3.5Å; Y389-S392 PolarHBondContact O-N 3.5Å; Y389-S392 VanDerWaalsContact O-N 3.13Å; Y389-S392 PolarHBondContact O-OG 3.24Å; Y389-G432 WeakPolarHBondContact CE2-O 3.48Å; Y389-N433 VanDerWaalsContact CD2-OD1 3.3Å; Y389-N433 WeakPolarHBondContact CD2-OD1 3.18Å
390	D	86.7	Confident	94.1	Very high	60 Å²	60	36.7 Å²	36.7	32%	0.321	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-65.5	-17.7	177.8	-68.4	-3.5	0	0	0	112.5	R239 F240 S392 L431	R239-D390 WeakPolarHBondContact CA-OD1 3.35Å; R239-D390 WeakPolarHBondContact CA-OD2 3.33Å; F240-D390 WeakPolarHBondContact CD1-OD1 3.41Å; F240-D390 PolarHBondContact N-OD1 3.21Å; D390-S392 VanDerWaalsContact C-N 3.28Å; D390-S392 PolarHBondContact O-N 3.03Å; D390-L431 HydrophobicContact CB-CD2 4.38Å
391	F	89.4	Confident	94.1	Very high	31 Å²	31	35.8 Å²	35.8	14%	0.136	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-80.1	-5.3	176.3	-166.7	-123	0	0	0	113.2	M388 Y389 G393 Q394 F395 L431 N433 I438	M388-F391 HydrophobicContact CB-CB 4.42Å; M388-F391 WeakPolarHBondContact O-CA 3.35Å; M388-F391 VanDerWaalsContact O-CB 3.26Å; M388-F391 WeakPolarHBondContact O-CB 3.31Å; M388-F391 PolarHBondContact O-N 3.1Å; Y389-F391 PolarHBondContact O-N 3.3Å; F391-G393 VanDerWaalsContact C-N 3.31Å; F391-G393 PolarHBondContact O-N 3.41Å; F391-Q394 HydrophobicContact CD2-CB 3.7Å; F391-Q394 HydrophobicContact CD2-CG 4.45Å; F391-Q394 VanDerWaalsContact CD2-OE1 3.3Å; F391-Q394 HydrophobicContact CE2-CB 3.54Å; F391-Q394 HydrophobicContact CE2-CG 4.43Å; F391-Q394 HydrophobicContact CZ-CB 4.27Å; F391-Q394 PolarHBondContact O-N 3.11Å; F391-Q394 VanDerWaalsContact O-N 3.16Å; F391-F395 HydrophobicContact CD1-CB 3.81Å; F391-F395 HydrophobicContact CD1-CD2 4.09Å; F391-F395 HydrophobicContact CD1-CG 4.42Å; F391-F395 HydrophobicContact CE1-CB 3.94Å; F391-F395 AromaticContact CE1-CD2 3.76Å; F391-F395 HydrophobicContact CE1-CD2 3.76Å; F391-F395 HydrophobicContact CE1-CG 4.36Å; F391-F395 WeakPolarHBondContact O-CB 3.45Å; F391-F395 PolarHBondContact O-N 3.48Å; F391-L431 HydrophobicContact CB-CD1 3.86Å; F391-L431 HydrophobicContact CD2-CD1 4.1Å; F391-L431 HydrophobicContact CG-CD1 4.33Å; F391-N433 WeakPolarHBondContact CB-ND2 3.47Å; F391-I438 HydrophobicContact CD1-CD1 4.05Å; F391-I438 HydrophobicContact CE1-CD1 3.99Å; F391-I438 HydrophobicContact CE1-CG1 4.31Å; F391-I438 HydrophobicContact CE1-CG2 3.95Å; F391-I438 HydrophobicContact CZ-CG2 4.36Å
392	S	90.9	Very high	94.1	Very high	8 Å²	8	32.8 Å²	32.8	6%	0.056	18%	0.176	C	C	.	.	H	α-helix	trans	-54.6	-42	-174.1	-55.6	0	0	0	0	113.7	S385 C386 G387 M388 Y389 D390 A396	S385-S392 VanDerWaalsContact O-CB 3.22Å; S385-S392 WeakPolarHBondContact O-CB 3.35Å; C386-S392 VanDerWaalsContact C-OG 3.24Å; G387-S392 PolarHBondContact N-OG 3.04Å; M388-S392 WeakPolarHBondContact CA-OG 3.22Å; M388-S392 PolarHBondContact N-OG 3.04Å; M388-S392 PolarHBondContact O-N 3.29Å; Y389-S392 PolarHBondContact N-OG 2.9Å; Y389-S392 WeakPolarHBondContact O-CB 3.5Å; Y389-S392 PolarHBondContact O-N 3.5Å; Y389-S392 VanDerWaalsContact O-N 3.13Å; Y389-S392 PolarHBondContact O-OG 3.24Å; D390-S392 VanDerWaalsContact C-N 3.28Å; D390-S392 PolarHBondContact O-N 3.03Å; S392-A396 VanDerWaalsContact O-CB 3.24Å; S392-A396 WeakPolarHBondContact O-CB 3.24Å; S392-A396 PolarHBondContact O-N 3.19Å
393	G	90.9	Very high	94.1	Very high	53 Å²	53	32.4 Å²	32.4	55%	0.546	17%	0.174	S	C	.	.	H	α-helix	trans	-66.7	-44.3	178.8	0	0	0	0	0	113.2	F391 A396 F397	F391-G393 VanDerWaalsContact C-N 3.31Å; F391-G393 PolarHBondContact O-N 3.41Å; G393-A396 PolarHBondContact O-N 3.36Å; G393-F397 WeakPolarHBondContact O-CB 3.4Å; G393-F397 PolarHBondContact O-N 3.37Å; G393-F397 VanDerWaalsContact O-N 3.08Å
394	Q	92.3	Very high	94.2	Very high	112 Å²	112	32.4 Å²	32.4	52%	0.523	17%	0.174	S	C	.	.	H	α-helix	trans	-68.9	-39.7	177.5	-69.8	-179.2	-0	0	0	111.4	F391 F397 H398	F391-Q394 HydrophobicContact CD2-CB 3.7Å; F391-Q394 HydrophobicContact CD2-CG 4.45Å; F391-Q394 VanDerWaalsContact CD2-OE1 3.3Å; F391-Q394 HydrophobicContact CE2-CB 3.54Å; F391-Q394 HydrophobicContact CE2-CG 4.43Å; F391-Q394 HydrophobicContact CZ-CB 4.27Å; F391-Q394 PolarHBondContact O-N 3.11Å; F391-Q394 VanDerWaalsContact O-N 3.16Å; Q394-F397 PolarHBondContact O-N 2.7Å; Q394-H398 WeakPolarHBondContact O-CB 3.17Å; Q394-H398 PolarHBondContact O-CD2 3.28Å; Q394-H398 PolarHBondContact O-N 2.9Å
395	F	95.3	Very high	94.2	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.009	17%	0.166	C	C	.	.	H	α-helix	trans	-63.4	-44.5	175.3	-168.5	-93.1	0	0	0	111.6	M388 F391 F397 V399 G400 L401 A403 L413 C441	M388-F395 HydrophobicContact CB-CB 4.23Å; M388-F395 HydrophobicContact CB-CG 4.4Å; M388-F395 HydrophobicContact CE-CD2 4.27Å; M388-F395 HydrophobicContact CE-CE2 4.19Å; M388-F395 HydrophobicContact CG-CB 4.07Å; M388-F395 HydrophobicContact CG-CD1 3.79Å; M388-F395 HydrophobicContact CG-CD2 4.19Å; M388-F395 HydrophobicContact CG-CE1 4.25Å; M388-F395 HydrophobicContact CG-CG 3.74Å; F391-F395 HydrophobicContact CD1-CB 3.81Å; F391-F395 HydrophobicContact CD1-CD2 4.09Å; F391-F395 HydrophobicContact CD1-CG 4.42Å; F391-F395 HydrophobicContact CE1-CB 3.94Å; F391-F395 AromaticContact CE1-CD2 3.76Å; F391-F395 HydrophobicContact CE1-CD2 3.76Å; F391-F395 HydrophobicContact CE1-CG 4.36Å; F391-F395 WeakPolarHBondContact O-CB 3.45Å; F391-F395 PolarHBondContact O-N 3.48Å; F395-F397 PolarHBondContact O-N 3.47Å; F395-V399 HydrophobicContact CD1-CB 4.19Å; F395-V399 HydrophobicContact CD2-CB 4.1Å; F395-V399 HydrophobicContact CD2-CG2 3.77Å; F395-V399 HydrophobicContact CE1-CB 3.99Å; F395-V399 HydrophobicContact CE1-CG1 3.93Å; F395-V399 HydrophobicContact CE2-CB 3.92Å; F395-V399 HydrophobicContact CE2-CG1 4.05Å; F395-V399 HydrophobicContact CE2-CG2 3.65Å; F395-V399 HydrophobicContact CG-CB 4.25Å; F395-V399 HydrophobicContact CG-CG2 4.35Å; F395-V399 HydrophobicContact CZ-CB 3.86Å; F395-V399 HydrophobicContact CZ-CG1 3.62Å; F395-V399 HydrophobicContact CZ-CG2 4.11Å; F395-V399 CarbonylContact O-C 3.49Å; F395-V399 WeakPolarHBondContact O-CA 3.36Å; F395-V399 WeakPolarHBondContact O-CB 3.25Å; F395-V399 PolarHBondContact O-N 3.34Å; F395-G400 PolarHBondContact O-N 2.93Å; F395-L401 VanDerWaalsContact CE1-O 3.31Å; F395-L401 WeakPolarHBondContact CE1-O 3.27Å; F395-A403 HydrophobicContact CD1-CB 4.31Å; F395-A403 HydrophobicContact CE1-CB 3.45Å; F395-A403 VanDerWaalsContact CE1-CB 3.45Å; F395-A403 HydrophobicContact CZ-CB 3.77Å; F395-L413 HydrophobicContact CE1-CD1 4.37Å; F395-L413 HydrophobicContact CZ-CD1 4.09Å; F395-C441 HydrophobicContact CE2-CB 3.86Å; F395-C441 HydrophobicContact CZ-CB 3.98Å
396	A	95.3	Very high	94.3	Very high	17 Å²	17	28.9 Å²	28.9	14%	0.14	15%	0.153	C	C	.	.	H	α-helix	trans	-62.9	-30.8	175.6	0	0	0	0	0	112.8	S392 G393 G400	S392-A396 VanDerWaalsContact O-CB 3.24Å; S392-A396 WeakPolarHBondContact O-CB 3.24Å; S392-A396 PolarHBondContact O-N 3.19Å; G393-A396 PolarHBondContact O-N 3.36Å; A396-G400 WeakPolarHBondContact O-CA 3.48Å; A396-G400 PolarHBondContact O-N 2.98Å
397	F	93.7	Very high	94.4	Very high	154 Å²	154	29.8 Å²	29.8	68%	0.675	16%	0.158	S	C	*	.	H	α-helix	trans	-81.1	-43.6	178.7	-177.9	-95.5	0	0	0	113.4	G393 Q394 F395 H451	G393-F397 WeakPolarHBondContact O-CB 3.4Å; G393-F397 PolarHBondContact O-N 3.37Å; G393-F397 VanDerWaalsContact O-N 3.08Å; Q394-F397 PolarHBondContact O-N 2.7Å; F395-F397 PolarHBondContact O-N 3.47Å; F397-H451 PolarHBondContact O-NE2 3.47Å
398	H	93.4	Very high	94.6	Very high	115 Å²	115	30 Å²	30	53%	0.532	16%	0.16	S	C	.	.	H	α-helix	trans	-89.5	-41.5	-175.6	-67.1	-62.7	0	0	0	113.1	Q394	Q394-H398 WeakPolarHBondContact O-CB 3.17Å; Q394-H398 PolarHBondContact O-CD2 3.28Å; Q394-H398 PolarHBondContact O-N 2.9Å
399	V	97.3	Very high	94.8	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.006	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-41.9	-179.1	-176.1	0	0	0	0	111.1	F395 L401 C441 V445 H451	F395-V399 HydrophobicContact CD1-CB 4.19Å; F395-V399 HydrophobicContact CD2-CB 4.1Å; F395-V399 HydrophobicContact CD2-CG2 3.77Å; F395-V399 HydrophobicContact CE1-CB 3.99Å; F395-V399 HydrophobicContact CE1-CG1 3.93Å; F395-V399 HydrophobicContact CE2-CB 3.92Å; F395-V399 HydrophobicContact CE2-CG1 4.05Å; F395-V399 HydrophobicContact CE2-CG2 3.65Å; F395-V399 HydrophobicContact CG-CB 4.25Å; F395-V399 HydrophobicContact CG-CG2 4.35Å; F395-V399 HydrophobicContact CZ-CB 3.86Å; F395-V399 HydrophobicContact CZ-CG1 3.62Å; F395-V399 HydrophobicContact CZ-CG2 4.11Å; F395-V399 CarbonylContact O-C 3.49Å; F395-V399 WeakPolarHBondContact O-CA 3.36Å; F395-V399 WeakPolarHBondContact O-CB 3.25Å; F395-V399 PolarHBondContact O-N 3.34Å; V399-L401 HydrophobicContact CG1-CB 4.1Å; V399-L401 HydrophobicContact CG1-CD1 4.06Å; V399-L401 HydrophobicContact CG1-CG 4.14Å; V399-L401 PolarHBondContact O-N 3.45Å; V399-C441 HydrophobicContact CG1-CB 4.06Å; V399-C441 HydrophobicContact CG2-CB 4.36Å; V399-V445 HydrophobicContact CG1-CG1 3.83Å; V399-V445 HydrophobicContact CG1-CG2 4.32Å; V399-H451 PolarHBondContact O-CD2 3.25Å
400	G	96.9	Very high	95.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.154	C	C	.	.			trans	67.4	18.9	174.5	0	0	0	0	0	115	F395 A396 N452	F395-G400 PolarHBondContact O-N 2.93Å; A396-G400 WeakPolarHBondContact O-CA 3.48Å; A396-G400 PolarHBondContact O-N 2.98Å; G400-N452 WeakPolarHBondContact O-CB 3.39Å; G400-N452 PolarHBondContact O-N 3.31Å
401	L	98.1	Very high	95.7	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	14%	0.139	C	C	.	.	S	Bend	trans	-109.6	145	178.5	-68.8	174.9	0	0	0	111.2	F395 V399 A403 L413 V415 V445 F450	F395-L401 VanDerWaalsContact CE1-O 3.31Å; F395-L401 WeakPolarHBondContact CE1-O 3.27Å; V399-L401 HydrophobicContact CG1-CB 4.1Å; V399-L401 HydrophobicContact CG1-CD1 4.06Å; V399-L401 HydrophobicContact CG1-CG 4.14Å; V399-L401 PolarHBondContact O-N 3.45Å; L401-A403 PolarHBondContact O-N 3.1Å; L401-L413 HydrophobicContact CB-CD1 3.65Å; L401-L413 HydrophobicContact CD1-CD1 4.01Å; L401-L413 HydrophobicContact CD1-CD2 4.16Å; L401-L413 HydrophobicContact CD1-CG 4.33Å; L401-V415 HydrophobicContact CD1-CG2 4Å; L401-V415 HydrophobicContact CD2-CB 4.5Å; L401-V415 HydrophobicContact CD2-CG1 4.35Å; L401-V415 HydrophobicContact CD2-CG2 4.07Å; L401-V445 HydrophobicContact CD1-CG1 3.8Å; L401-V445 HydrophobicContact CG-CG1 4.29Å; L401-F450 HydrophobicContact CD2-CB 4.47Å; L401-F450 WeakPolarHBondContact CD2-O 3.41Å
402	P	98.4	Very high	96.2	Very high	8 Å²	8	24.2 Å²	24.2	5%	0.052	13%	0.133	C	C	.	.			trans	-62.2	121.7	167.7	-21	31.1	0	0	0	111.2	L380 M383 H384 V414 P416	L380-P402 HydrophobicContact CB-CB 4.39Å; L380-P402 HydrophobicContact CB-CG 4.26Å; L380-P402 HydrophobicContact CD2-CB 3.95Å; L380-P402 HydrophobicContact CD2-CG 4.27Å; M383-P402 HydrophobicContact CB-CB 3.86Å; H384-P402 HydrophobicContact CB-CG 4.39Å; P402-V414 HydrophobicContact CB-CB 4.44Å; P402-V414 WeakPolarHBondContact CD-O 3.44Å; P402-V414 PolarHBondContact O-N 3.05Å; P402-P416 HydrophobicContact CG-CG 4.27Å
403	A	98.4	Very high	96.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	160.6	178.4	0	0	0	0	0	112.2	G387 M388 F395 L401 I411 L412 L413	G387-A403 VanDerWaalsContact CA-O 3.23Å; G387-A403 WeakPolarHBondContact CA-O 3.16Å; M388-A403 HydrophobicContact CG-CB 4.15Å; M388-A403 HydrophobicContact SD-CB 3.63Å; F395-A403 HydrophobicContact CD1-CB 4.31Å; F395-A403 HydrophobicContact CE1-CB 3.45Å; F395-A403 VanDerWaalsContact CE1-CB 3.45Å; F395-A403 HydrophobicContact CZ-CB 3.77Å; L401-A403 PolarHBondContact O-N 3.1Å; A403-I411 HydrophobicContact CB-CG2 4.26Å; A403-L412 CarbonylContact C-O 3.54Å; A403-L412 WeakPolarHBondContact CA-O 3.43Å; A403-L413 HydrophobicContact CB-CD1 3.79Å
404	K	98.3	Very high	96.9	Very high	1 Å²	1	21.3 Å²	21.3	0%	0.004	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	121.4	166.1	-175.1	79.2	-155.3	71.7	0	110.5	S208 C209 P212 M256 M383 G387 L412	S208-K404 WeakPolarHBondContact O-CE 3.5Å; S208-K404 WeakPolarHBondContact O-CG 3.1Å; C209-K404 PolarHBondContact SG-O 2.7Å; P212-K404 HydrophobicContact CG-CB 3.59Å; P212-K404 HydrophobicContact CG-CD 3.97Å; P212-K404 HydrophobicContact CG-CG 3.64Å; M256-K404 HydrophobicContact SD-CD 3.83Å; M383-K404 HydrophobicContact CE-CB 4.25Å; G387-K404 WeakPolarHBondContact O-CA 3.4Å; G387-K404 VanDerWaalsContact O-CD 3.25Å; G387-K404 WeakPolarHBondContact O-CD 3.48Å; G387-K404 WeakPolarHBondContact O-CE 3Å; G387-K404 PolarHBondContact O-NZ 3.33Å; K404-L412 PolarHBondContact N-O 2.95Å; K404-L412 PolarHBondContact O-N 3.22Å
405	S	97.6	Very high	97.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	152.1	173	-176.2	0	0	0	0	112.7	S208 C209 G387 M388 G410 N433	S208-S405 WeakPolarHBondContact CB-O 3.21Å; C209-S405 VanDerWaalsContact SG-C 3.57Å; G387-S405 PolarHBondContact O-N 3.25Å; M388-S405 PolarHBondContact SD-N 3.05Å; S405-G410 CarbonylContact C-O 3.6Å; S405-G410 WeakPolarHBondContact CA-O 3.42Å; S405-N433 WeakPolarHBondContact CB-OD1 3.45Å; S405-N433 WeakPolarHBondContact OG-CA 2.94Å; S405-N433 PolarHBondContact OG-OD1 2.81Å; S405-N433 VanDerWaalsContact OG-OD1 3.08Å
406	G	96.4	Very high	97.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.			trans	-133.3	146.1	172.9	0	0	0	0	0	111.4	C209 A408 G409 G410	C209-G406 PolarHBondContact SG-N 2.92Å; C209-G406 VanDerWaalsContact SG-N 3.36Å; G406-A408 PolarHBondContact O-N 2.73Å; G406-G409 PolarHBondContact O-N 3.24Å; G406-G410 PolarHBondContact N-O 3.13Å; G406-G410 PolarHBondContact O-N 3.3Å
407	V	96.3	Very high	97.5	Very high	30 Å²	30	23.1 Å²	23.1	18%	0.182	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-11.3	-177.3	-62.8	0	0	0	0	114.4	A169 Y171 L175 Q207 G409 L428	A169-V407 WeakPolarHBondContact CB-O 3.43Å; Y171-V407 HydrophobicContact CE1-CG2 4.4Å; Y171-V407 WeakPolarHBondContact OH-CG2 3.19Å; L175-V407 HydrophobicContact CD1-CG2 4.21Å; Q207-V407 HydrophobicContact CB-CG2 3.89Å; Q207-V407 HydrophobicContact CG-CG2 3.83Å; V407-G409 PolarHBondContact O-N 3.01Å; V407-L428 HydrophobicContact CB-CD1 4.25Å
408	A	97.1	Very high	97.7	Very high	5 Å²	5	16 Å²	16	4%	0.041	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-0.5	168	0	0	0	0	0	113.5	L175 F204 C205 Q207 G406 W424	L175-A408 HydrophobicContact CD2-CB 3.98Å; F204-A408 HydrophobicContact CD2-CB 4.35Å; C205-A408 WeakPolarHBondContact O-CB 3.5Å; Q207-A408 HydrophobicContact CB-CB 4.49Å; Q207-A408 HydrophobicContact CG-CB 3.84Å; G406-A408 PolarHBondContact O-N 2.73Å; A408-W424 PolarHBondContact O-NE1 2.48Å
409	G	97.3	Very high	97.9	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	91.3	8.3	-178	0	0	0	0	0	114.8	G406 V407 W424 S425 S434	G406-G409 PolarHBondContact O-N 3.24Å; V407-G409 PolarHBondContact O-N 3.01Å; G409-W424 WeakPolarHBondContact O-CA 3.43Å; G409-S425 WeakPolarHBondContact CA-O 3.27Å; G409-S425 PolarHBondContact O-N 3.25Å; G409-S434 VanDerWaalsContact O-CB 3.26Å; G409-S434 WeakPolarHBondContact O-CB 3.26Å; G409-S434 PolarHBondContact O-OG 3.39Å
410	G	98.2	Very high	98	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.01	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	142.1	178.8	0	0	0	0	0	112.5	C209 S405 G406 C423	C209-G410 PolarHBondContact SG-O 3.46Å; S405-G410 CarbonylContact C-O 3.6Å; S405-G410 WeakPolarHBondContact CA-O 3.42Å; G406-G410 PolarHBondContact N-O 3.13Å; G406-G410 PolarHBondContact O-N 3.3Å; G410-C423 CarbonylContact C-O 3.46Å; G410-C423 WeakPolarHBondContact CA-O 3.31Å
411	I	98.7	Very high	98.1	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	111.4	168.9	-57.2	-178.4	0	0	0	108.6	M388 A403 L413 M422 C423 G437 I438	M388-I411 HydrophobicContact CE-CD1 3.96Å; M388-I411 HydrophobicContact CE-CG1 4.38Å; M388-I411 HydrophobicContact CE-CG2 4.18Å; M388-I411 HydrophobicContact SD-CG2 4.38Å; A403-I411 HydrophobicContact CB-CG2 4.26Å; I411-L413 PolarHBondContact O-N 2.93Å; I411-M422 VanDerWaalsContact C-SD 3.55Å; I411-C423 PolarHBondContact N-O 2.71Å; I411-C423 PolarHBondContact O-N 3.33Å; I411-C423 VanDerWaalsContact O-N 3.14Å; I411-G437 VanDerWaalsContact CD1-C 3.45Å; I411-I438 HydrophobicContact CD1-CG1 4.18Å
412	L	98.8	Very high	98.1	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	107.8	171.3	-171	77.1	0	0	0	108.5	C209 L213 A354 M383 A403 K404 M422	C209-L412 HydrophobicContact CB-CB 4.46Å; L213-L412 HydrophobicContact CD2-CD2 4.32Å; A354-L412 HydrophobicContact CB-CD1 3.7Å; A354-L412 HydrophobicContact CB-CG 4.17Å; M383-L412 HydrophobicContact CE-CD2 4.34Å; A403-L412 CarbonylContact C-O 3.54Å; A403-L412 WeakPolarHBondContact CA-O 3.43Å; K404-L412 PolarHBondContact N-O 2.95Å; K404-L412 PolarHBondContact O-N 3.22Å; L412-M422 HydrophobicContact CB-CE 3.96Å; L412-M422 HydrophobicContact CD1-CE 3.62Å; L412-M422 HydrophobicContact CG-CE 4.44Å
413	L	98.8	Very high	98.1	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	135.7	-176	-178.4	72.8	0	0	0	110.3	F395 L401 A403 I411 I421 L444	F395-L413 HydrophobicContact CE1-CD1 4.37Å; F395-L413 HydrophobicContact CZ-CD1 4.09Å; L401-L413 HydrophobicContact CB-CD1 3.65Å; L401-L413 HydrophobicContact CD1-CD1 4.01Å; L401-L413 HydrophobicContact CD1-CD2 4.16Å; L401-L413 HydrophobicContact CD1-CG 4.33Å; A403-L413 HydrophobicContact CB-CD1 3.79Å; I411-L413 PolarHBondContact O-N 2.93Å; L413-I421 HydrophobicContact CB-CB 4.17Å; L413-I421 HydrophobicContact CD2-CB 4.28Å; L413-I421 HydrophobicContact CD2-CD1 4.05Å; L413-I421 PolarHBondContact N-O 2.91Å; L413-I421 PolarHBondContact O-N 3.07Å; L413-I421 VanDerWaalsContact O-O 3.11Å; L413-L444 HydrophobicContact CD2-CD2 4.14Å
414	V	98.8	Very high	98.1	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.4	179.3	-172.8	0	0	0	0	109.8	A354 L357 A358 L380 M383 P402 P416	A354-V414 HydrophobicContact CB-CG2 4.18Å; L357-V414 HydrophobicContact CB-CG1 4.42Å; L357-V414 HydrophobicContact CB-CG2 4.24Å; L357-V414 HydrophobicContact CD1-CG2 4.28Å; A358-V414 HydrophobicContact CB-CG1 3.74Å; L380-V414 HydrophobicContact CD2-CB 3.78Å; L380-V414 HydrophobicContact CD2-CG1 3.66Å; L380-V414 HydrophobicContact CD2-CG2 3.91Å; M383-V414 HydrophobicContact CE-CG2 3.98Å; P402-V414 HydrophobicContact CB-CB 4.44Å; P402-V414 WeakPolarHBondContact CD-O 3.44Å; P402-V414 PolarHBondContact O-N 3.05Å; V414-P416 WeakPolarHBondContact O-CD 3.08Å
415	V	98.6	Very high	98.1	Very high	5 Å²	5	10 Å²	10	3%	0.03	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	98.2	166.1	-172.4	0	0	0	0	107.2	L401 N417 V418 M419 F450	L401-V415 HydrophobicContact CD1-CG2 4Å; L401-V415 HydrophobicContact CD2-CB 4.5Å; L401-V415 HydrophobicContact CD2-CG1 4.35Å; L401-V415 HydrophobicContact CD2-CG2 4.07Å; V415-N417 PolarHBondContact O-N 3.41Å; V415-V418 HydrophobicContact CB-CB 4.17Å; V415-V418 HydrophobicContact CG1-CB 3.75Å; V415-V418 HydrophobicContact CG1-CG1 4.44Å; V415-V418 HydrophobicContact CG1-CG2 3.94Å; V415-V418 PolarHBondContact O-N 3.12Å; V415-M419 HydrophobicContact CB-CG 4.06Å; V415-M419 HydrophobicContact CG2-CE 4.21Å; V415-M419 HydrophobicContact CG2-CG 4.15Å; V415-M419 PolarHBondContact N-O 3.09Å; V415-M419 PolarHBondContact O-N 3.49Å; V415-M419 VanDerWaalsContact O-O 3.13Å; V415-F450 HydrophobicContact CG1-CB 4.16Å; V415-F450 HydrophobicContact CG1-CD1 3.84Å; V415-F450 HydrophobicContact CG1-CE1 4.47Å; V415-F450 HydrophobicContact CG1-CG 4.07Å
416	P	98.1	Very high	98.2	Very high	41 Å²	41	10.1 Å²	10.1	27%	0.266	6%	0.059	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	136	-172.2	-26.9	35.2	0	0	0	112.6	L380 P402 V414 V418	L380-P416 HydrophobicContact CD1-CG 4.31Å; P402-P416 HydrophobicContact CG-CG 4.27Å; V414-P416 WeakPolarHBondContact O-CD 3.08Å; P416-V418 PolarHBondContact O-N 2.92Å
417	N	97.7	Very high	98.2	Very high	123 Å²	123	10.6 Å²	10.6	66%	0.658	6%	0.062	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	9.6	-176.4	-48	-60.8	0	0	0	115.8	A358 V415	A358-N417 WeakPolarHBondContact O-CA 3.35Å; A358-N417 PolarHBondContact O-N 3.35Å; V415-N417 PolarHBondContact O-N 3.41Å
418	V	98.3	Very high	98.3	Very high	4 Å²	4	10 Å²	10	2%	0.024	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-63.6	179.3	-175.1	0	0	0	0	111.2	V142 I143 T189 V190 V415 P416 F450	V142-V418 HydrophobicContact CG2-CB 4.47Å; V142-V418 HydrophobicContact CG2-CG1 4.31Å; V142-V418 HydrophobicContact CG2-CG2 4.41Å; I143-V418 HydrophobicContact CD1-CG1 4.31Å; I143-V418 HydrophobicContact CG1-CG1 4.46Å; T189-V418 WeakPolarHBondContact CA-O 3.22Å; T189-V418 WeakPolarHBondContact CB-O 3.28Å; V190-V418 PolarHBondContact N-O 3.17Å; V415-V418 HydrophobicContact CB-CB 4.17Å; V415-V418 HydrophobicContact CG1-CB 3.75Å; V415-V418 HydrophobicContact CG1-CG1 4.44Å; V415-V418 HydrophobicContact CG1-CG2 3.94Å; V415-V418 PolarHBondContact O-N 3.12Å; P416-V418 PolarHBondContact O-N 2.92Å; V418-F450 HydrophobicContact CG1-CE1 4.04Å; V418-F450 HydrophobicContact CG1-CZ 4.4Å
419	M	98.6	Very high	98.3	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	161	-173.3	59.9	-176.3	153.3	0	0	113.5	I143 F149 C188 T189 V415 I421 F450	I143-M419 HydrophobicContact CD1-SD 4.41Å; F149-M419 HydrophobicContact CE1-CE 4.34Å; F149-M419 HydrophobicContact CE1-SD 4.07Å; F149-M419 HydrophobicContact CZ-CE 3.68Å; F149-M419 HydrophobicContact CZ-SD 3.97Å; C188-M419 CarbonylContact O-C 2.89Å; C188-M419 VanDerWaalsContact O-CA 3.25Å; C188-M419 WeakPolarHBondContact O-CA 3.34Å; C188-M419 VanDerWaalsContact O-CB 3.28Å; C188-M419 WeakPolarHBondContact O-CB 3.33Å; T189-M419 HydrophobicContact CG2-CB 4.21Å; V415-M419 HydrophobicContact CB-CG 4.06Å; V415-M419 HydrophobicContact CG2-CE 4.21Å; V415-M419 HydrophobicContact CG2-CG 4.15Å; V415-M419 PolarHBondContact N-O 3.09Å; V415-M419 PolarHBondContact O-N 3.49Å; V415-M419 VanDerWaalsContact O-O 3.13Å; M419-I421 HydrophobicContact CE-CD1 4.18Å; M419-I421 HydrophobicContact CG-CD1 4.33Å; M419-I421 HydrophobicContact CG-CG1 4.33Å; M419-I421 HydrophobicContact SD-CD1 3.97Å; M419-I421 HydrophobicContact SD-CG1 4.22Å; M419-F450 HydrophobicContact CE-CD2 3.96Å; M419-F450 HydrophobicContact CE-CE1 4.2Å; M419-F450 HydrophobicContact CE-CE2 3.29Å; M419-F450 HydrophobicContact CE-CZ 3.42Å; M419-F450 VanDerWaalsContact CE-CZ 3.42Å
420	G	98.8	Very high	98.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	144.9	162.8	0	0	0	0	0	111.2	L187 C188 A354	L187-G420 WeakPolarHBondContact CA-O 3.43Å; C188-G420 PolarHBondContact N-O 2.98Å; C188-G420 PolarHBondContact O-N 3.39Å; A354-G420 VanDerWaalsContact CB-CA 3.47Å
421	I	98.8	Very high	97.7	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	139.2	-179.2	-61.6	165.2	0	0	0	108.5	V185 A186 L187 L413 M419 F440 L444	V185-I421 HydrophobicContact CG1-CG2 4.37Å; A186-I421 CarbonylContact O-C 3.58Å; A186-I421 WeakPolarHBondContact O-CA 3.4Å; L187-I421 HydrophobicContact CB-CG1 4Å; L413-I421 HydrophobicContact CB-CB 4.17Å; L413-I421 HydrophobicContact CD2-CB 4.28Å; L413-I421 HydrophobicContact CD2-CD1 4.05Å; L413-I421 PolarHBondContact N-O 2.91Å; L413-I421 PolarHBondContact O-N 3.07Å; L413-I421 VanDerWaalsContact O-O 3.11Å; M419-I421 HydrophobicContact CE-CD1 4.18Å; M419-I421 HydrophobicContact CG-CD1 4.33Å; M419-I421 HydrophobicContact CG-CG1 4.33Å; M419-I421 HydrophobicContact SD-CD1 3.97Å; M419-I421 HydrophobicContact SD-CG1 4.22Å; I421-F440 HydrophobicContact CG2-CE1 4.11Å; I421-L444 HydrophobicContact CD1-CD2 3.66Å
422	M	98.8	Very high	97.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.7	165.8	175.8	59	78.4	0	0	108.9	V185 A186 F204 L206 C347 A350 I411 L412	V185-M422 WeakPolarHBondContact CA-O 3.32Å; A186-M422 PolarHBondContact N-O 3.27Å; A186-M422 PolarHBondContact O-N 3.17Å; F204-M422 HydrophobicContact CZ-CG 4.18Å; F204-M422 HydrophobicContact CZ-SD 4.12Å; L206-M422 HydrophobicContact CD2-CE 4.46Å; C347-M422 HydrophobicContact CB-CB 4.46Å; C347-M422 HydrophobicContact CB-CG 4.17Å; A350-M422 HydrophobicContact CB-CB 4.02Å; A350-M422 HydrophobicContact CB-CE 3.33Å; A350-M422 HydrophobicContact CB-CG 3.88Å; A350-M422 HydrophobicContact CB-SD 4.45Å; I411-M422 VanDerWaalsContact C-SD 3.55Å; L412-M422 HydrophobicContact CB-CE 3.96Å; L412-M422 HydrophobicContact CD1-CE 3.62Å; L412-M422 HydrophobicContact CG-CE 4.44Å
423	C	98.6	Very high	97.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	137.9	170	-58	0	0	0	0	108.9	W183 G184 V185 G410 I411 F440	W183-C423 HydrophobicContact CH2-CB 3.88Å; W183-C423 HydrophobicContact CZ3-CB 3.98Å; G184-C423 CarbonylContact O-C 3.49Å; G184-C423 WeakPolarHBondContact O-CA 3.29Å; V185-C423 HydrophobicContact CG2-CB 4.45Å; G410-C423 CarbonylContact C-O 3.46Å; G410-C423 WeakPolarHBondContact CA-O 3.31Å; I411-C423 PolarHBondContact N-O 2.71Å; I411-C423 PolarHBondContact O-N 3.33Å; I411-C423 VanDerWaalsContact O-N 3.14Å; C423-F440 WeakPolarHBondContact SG-CD1 3.27Å
424	W	98.6	Very high	97.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	115	179.8	179	62.3	0	0	0	112.3	F178 L182 W183 G184 V202 F204 C347 A408 G409 P426	F178-W424 AromaticContact CD1-CH2 3.9Å; F178-W424 HydrophobicContact CD1-CH2 3.9Å; F178-W424 AromaticContact CD1-CZ2 3.74Å; F178-W424 HydrophobicContact CD1-CZ2 3.74Å; F178-W424 HydrophobicContact CE1-CH2 4.03Å; F178-W424 AromaticContact CE1-CZ2 3.85Å; F178-W424 HydrophobicContact CE1-CZ2 3.85Å; F178-W424 HydrophobicContact CG-CZ2 4.24Å; F178-W424 HydrophobicContact CZ-CZ2 4.43Å; L182-W424 HydrophobicContact CB-CH2 4.18Å; L182-W424 HydrophobicContact CB-CZ3 4.01Å; L182-W424 HydrophobicContact CD1-CH2 3.71Å; L182-W424 HydrophobicContact CD1-CZ3 4.24Å; L182-W424 HydrophobicContact CG-CH2 4.47Å; W183-W424 WeakPolarHBondContact CA-O 3.24Å; W183-W424 VanDerWaalsContact CE3-O 3.25Å; G184-W424 PolarHBondContact N-O 3.15Å; G184-W424 PolarHBondContact O-N 3.42Å; V202-W424 HydrophobicContact CB-CH2 3.95Å; V202-W424 HydrophobicContact CB-CZ3 3.66Å; V202-W424 HydrophobicContact CG1-CH2 3.59Å; V202-W424 HydrophobicContact CG1-CZ3 3.86Å; V202-W424 HydrophobicContact CG2-CZ3 4.35Å; F204-W424 HydrophobicContact CB-CH2 4.49Å; F204-W424 HydrophobicContact CB-CZ2 3.67Å; F204-W424 HydrophobicContact CD1-CB 4.41Å; F204-W424 AromaticContact CD1-CD1 3.77Å; F204-W424 AromaticContact CD1-CD2 3.52Å; F204-W424 HydrophobicContact CD1-CD2 3.52Å; F204-W424 AromaticContact CD1-CE2 3.57Å; F204-W424 HydrophobicContact CD1-CE3 4.09Å; F204-W424 AromaticContact CD1-CG 3.65Å; F204-W424 HydrophobicContact CD1-CG 3.65Å; F204-W424 HydrophobicContact CD1-CZ2 4.13Å; F204-W424 AromaticContact CD1-NE1 3.76Å; F204-W424 AromaticContact CD2-CD1 3.62Å; F204-W424 HydrophobicContact CD2-CG 4.28Å; F204-W424 AromaticContact CD2-NE1 3.64Å; F204-W424 HydrophobicContact CE1-CB 3.78Å; F204-W424 AromaticContact CE1-CD1 3.81Å; F204-W424 AromaticContact CE1-CD2 3.81Å; F204-W424 HydrophobicContact CE1-CD2 3.81Å; F204-W424 HydrophobicContact CE1-CE3 4.4Å; F204-W424 AromaticContact CE1-CG 3.5Å; F204-W424 HydrophobicContact CE1-CG 3.5Å; F204-W424 AromaticContact CE2-CD1 3.67Å; F204-W424 HydrophobicContact CE2-CG 4.16Å; F204-W424 AromaticContact CG-CD1 3.68Å; F204-W424 HydrophobicContact CG-CD2 4Å; F204-W424 AromaticContact CG-CE2 3.57Å; F204-W424 HydrophobicContact CG-CG 4.05Å; F204-W424 HydrophobicContact CG-CZ2 4.08Å; F204-W424 AromaticContact CG-NE1 3.41Å; F204-W424 HydrophobicContact CZ-CB 3.89Å; F204-W424 AromaticContact CZ-CD1 3.77Å; F204-W424 AromaticContact CZ-CG 3.78Å; F204-W424 HydrophobicContact CZ-CG 3.78Å; C347-W424 WeakPolarHBondContact SG-CB 3.25Å; A408-W424 PolarHBondContact O-NE1 2.48Å; G409-W424 WeakPolarHBondContact O-CA 3.43Å; W424-P426 HydrophobicContact CZ2-CG 3.94Å
425	S	98.4	Very high	97.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.144	C	C	.	.			trans	-144.2	115.2	171.9	149.1	0	0	0	0	108.3	G409 P427 S434	G409-S425 WeakPolarHBondContact CA-O 3.27Å; G409-S425 PolarHBondContact O-N 3.25Å; S425-P427 VanDerWaalsContact C-CD 3.49Å; S425-P427 WeakPolarHBondContact OG-CD 3.49Å; S425-S434 WeakPolarHBondContact CB-OG 3.19Å; S425-S434 PolarHBondContact O-OG 2.8Å
426	P	98.1	Very high	97.2	Very high	3 Å²	3	28 Å²	28	2%	0.019	15%	0.146	C	C	.	.	S	Bend	trans	-54.4	-37.5	-175.9	-25.1	32.6	0	0	0	116	V168 F178 L182 W424 L428	V168-P426 HydrophobicContact CG1-CB 4.24Å; V168-P426 HydrophobicContact CG2-CB 4.22Å; F178-P426 HydrophobicContact CB-CB 3.99Å; F178-P426 HydrophobicContact CB-CG 3.71Å; F178-P426 HydrophobicContact CG-CG 4.39Å; L182-P426 HydrophobicContact CB-CG 4.3Å; L182-P426 WeakPolarHBondContact O-CD 3.36Å; W424-P426 HydrophobicContact CZ2-CG 3.94Å; P426-L428 PolarHBondContact O-N 3.41Å
427	P	98.2	Very high	97.2	Very high	9 Å²	9	26.1 Å²	26.1	6%	0.058	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	122.8	177.1	-27.6	36.2	0	0	0	113.8	V168 P180 S425 V435	V168-P427 HydrophobicContact CG2-CG 4.13Å; P180-P427 HydrophobicContact CB-CG 3.72Å; P180-P427 WeakPolarHBondContact O-CG 3.48Å; S425-P427 VanDerWaalsContact C-CD 3.49Å; S425-P427 WeakPolarHBondContact OG-CD 3.49Å; P427-V435 PolarHBondContact O-N 3.09Å; P427-V435 VanDerWaalsContact O-N 3.14Å
428	L	97.7	Very high	97.2	Very high	17 Å²	17	21.3 Å²	21.3	9%	0.089	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	151.8	179.3	-53.2	-179.6	0	0	0	112	G166 Q167 A169 V407 P426 N433	G166-L428 CarbonylContact C-O 3.53Å; G166-L428 WeakPolarHBondContact CA-O 3.39Å; Q167-L428 PolarHBondContact N-O 3.29Å; Q167-L428 PolarHBondContact O-N 3.4Å; A169-L428 HydrophobicContact CB-CD1 4.17Å; V407-L428 HydrophobicContact CB-CD1 4.25Å; P426-L428 PolarHBondContact O-N 3.41Å; L428-N433 CarbonylContact C-O 3.59Å; L428-N433 VanDerWaalsContact CA-O 3.23Å; L428-N433 WeakPolarHBondContact CA-O 3.36Å
429	D	95.9	Very high	97.2	Very high	48 Å²	48	24.4 Å²	24.4	26%	0.257	12%	0.121	S	C	.	.			trans	-75.7	179.8	166.3	72.8	8.9	0	0	0	111.7	L431 G432 N433 V435 I438	D429-L431 PolarHBondContact O-N 3.01Å; D429-L431 VanDerWaalsContact O-N 3.14Å; D429-L431 VanDerWaalsContact OD1-C 3.28Å; D429-L431 VanDerWaalsContact OD1-CA 3.29Å; D429-L431 WeakPolarHBondContact OD1-CA 3.17Å; D429-L431 WeakPolarHBondContact OD1-CB 3.41Å; D429-L431 PolarHBondContact OD1-N 3.41Å; D429-G432 PolarHBondContact O-N 3.42Å; D429-G432 PolarHBondContact OD1-N 3Å; D429-N433 PolarHBondContact N-O 3.38Å; D429-N433 PolarHBondContact OD1-N 3.08Å; D429-V435 HydrophobicContact CB-CG2 4.13Å; D429-I438 WeakPolarHBondContact OD2-CD1 3.42Å
430	K	93.9	Very high	97.2	Very high	216 Å²	216	24.4 Å²	24.4	94%	0.939	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-14.6	178.7	-62.2	-179	-178.3	176.5	0	113.9
431	L	90.9	Very high	97.1	Very high	60 Å²	60	24.4 Å²	24.4	31%	0.314	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-1.1	-179.3	-57.9	-179.9	0	0	0	112.3	D390 F391 D429	D390-L431 HydrophobicContact CB-CD2 4.38Å; F391-L431 HydrophobicContact CB-CD1 3.86Å; F391-L431 HydrophobicContact CD2-CD1 4.1Å; F391-L431 HydrophobicContact CG-CD1 4.33Å; D429-L431 PolarHBondContact O-N 3.01Å; D429-L431 VanDerWaalsContact O-N 3.14Å; D429-L431 VanDerWaalsContact OD1-C 3.28Å; D429-L431 VanDerWaalsContact OD1-CA 3.29Å; D429-L431 WeakPolarHBondContact OD1-CA 3.17Å; D429-L431 WeakPolarHBondContact OD1-CB 3.41Å; D429-L431 PolarHBondContact OD1-N 3.41Å
432	G	92	Very high	97.1	Very high	16 Å²	16	26.6 Å²	26.6	17%	0.165	14%	0.135	C	C	.	.	S	Bend	trans	87.5	17.7	178.2	0	0	0	0	0	114.6	Y389 D429	Y389-G432 WeakPolarHBondContact CE2-O 3.48Å; D429-G432 PolarHBondContact O-N 3.42Å; D429-G432 PolarHBondContact OD1-N 3Å
433	N	96.4	Very high	97	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-105.3	148.8	177.8	-61	-61.9	0	0	0	112.2	M388 Y389 F391 S405 L428 D429 V435 I438	M388-N433 HydrophobicContact CE-CB 4.46Å; M388-N433 PolarHBondContact O-ND2 2.67Å; Y389-N433 VanDerWaalsContact CD2-OD1 3.3Å; Y389-N433 WeakPolarHBondContact CD2-OD1 3.18Å; F391-N433 WeakPolarHBondContact CB-ND2 3.47Å; S405-N433 WeakPolarHBondContact CB-OD1 3.45Å; S405-N433 WeakPolarHBondContact OG-CA 2.94Å; S405-N433 PolarHBondContact OG-OD1 2.81Å; S405-N433 VanDerWaalsContact OG-OD1 3.08Å; L428-N433 CarbonylContact C-O 3.59Å; L428-N433 VanDerWaalsContact CA-O 3.23Å; L428-N433 WeakPolarHBondContact CA-O 3.36Å; D429-N433 PolarHBondContact N-O 3.38Å; D429-N433 PolarHBondContact OD1-N 3.08Å; N433-V435 PolarHBondContact O-N 3.26Å; N433-I438 HydrophobicContact CB-CD1 3.27Å; N433-I438 HydrophobicContact CB-CG1 4.07Å
434	S	97.7	Very high	97	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-62.5	126.5	176.6	-175.6	0	0	0	0	111.8	G409 S425 G437 I438	G409-S434 VanDerWaalsContact O-CB 3.26Å; G409-S434 WeakPolarHBondContact O-CB 3.26Å; G409-S434 PolarHBondContact O-OG 3.39Å; S425-S434 WeakPolarHBondContact CB-OG 3.19Å; S425-S434 PolarHBondContact O-OG 2.8Å; S434-G437 PolarHBondContact O-N 2.79Å; S434-G437 PolarHBondContact OG-N 3.03Å; S434-I438 WeakPolarHBondContact O-CG1 3.38Å; S434-I438 PolarHBondContact O-N 3.44Å
435	V	97.7	Very high	96.9	Very high	32 Å²	32	28.4 Å²	28.4	19%	0.194	15%	0.145	C	C	.	.	H	α-helix	trans	-62.3	-55.7	-177.6	176	0	0	0	0	111.1	L163 P427 D429 N433 G437 I438 Q439	L163-V435 HydrophobicContact CD1-CG1 4.4Å; P427-V435 PolarHBondContact O-N 3.09Å; P427-V435 VanDerWaalsContact O-N 3.14Å; D429-V435 HydrophobicContact CB-CG2 4.13Å; N433-V435 PolarHBondContact O-N 3.26Å; V435-G437 VanDerWaalsContact C-N 3.28Å; V435-G437 PolarHBondContact O-N 2.98Å; V435-I438 PolarHBondContact O-N 2.86Å; V435-Q439 PolarHBondContact O-N 3.43Å
436	R	98.3	Very high	96.7	Very high	19 Å²	19	32 Å²	32	7%	0.072	17%	0.17	C	C	.	.	H	α-helix	trans	-65.2	-35.9	178.7	-59.9	-177.3	176.5	159.4	-3.8	111.3	G160 L163 D181 W183 Q439 F440	G160-R436 WeakPolarHBondContact O-CG 3.38Å; L163-R436 HydrophobicContact CB-CG 4.35Å; L163-R436 PolarHBondContact O-NE 3.5Å; L163-R436 PolarHBondContact O-NH2 2.77Å; D181-R436 PolarHBondContact O-NH1 3.42Å; W183-R436 HydrophobicContact CD2-CB 3.89Å; W183-R436 HydrophobicContact CE3-CB 3.75Å; W183-R436 VanDerWaalsContact CH2-C 3.44Å; W183-R436 HydrophobicContact CH2-CB 3.75Å; W183-R436 WeakPolarHBondContact CH2-O 3.42Å; W183-R436 HydrophobicContact CZ2-CB 3.88Å; W183-R436 HydrophobicContact CZ3-CB 3.67Å; R436-Q439 PolarHBondContact O-N 2.8Å; R436-F440 WeakPolarHBondContact O-CB 3.22Å; R436-F440 PolarHBondContact O-N 3.26Å
437	G	97.9	Very high	96.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.7	-47.4	176.6	0	0	0	0	0	113.2	I411 S434 V435 C441	I411-G437 VanDerWaalsContact CD1-C 3.45Å; S434-G437 PolarHBondContact O-N 2.79Å; S434-G437 PolarHBondContact OG-N 3.03Å; V435-G437 VanDerWaalsContact C-N 3.28Å; V435-G437 PolarHBondContact O-N 2.98Å; G437-C441 PolarHBondContact O-N 2.85Å; G437-C441 PolarHBondContact O-SG 2.75Å
438	I	97.6	Very high	96.3	Very high	22 Å²	22	34.2 Å²	34.2	11%	0.113	18%	0.181	C	C	.	.	H	α-helix	trans	-64	-46.9	176.6	-71.8	167.8	0	0	0	110.7	M388 F391 I411 D429 N433 S434 V435 F440 C441 T442	M388-I438 HydrophobicContact CE-CG1 4.38Å; F391-I438 HydrophobicContact CD1-CD1 4.05Å; F391-I438 HydrophobicContact CE1-CD1 3.99Å; F391-I438 HydrophobicContact CE1-CG1 4.31Å; F391-I438 HydrophobicContact CE1-CG2 3.95Å; F391-I438 HydrophobicContact CZ-CG2 4.36Å; I411-I438 HydrophobicContact CD1-CG1 4.18Å; D429-I438 WeakPolarHBondContact OD2-CD1 3.42Å; N433-I438 HydrophobicContact CB-CD1 3.27Å; N433-I438 HydrophobicContact CB-CG1 4.07Å; S434-I438 WeakPolarHBondContact O-CG1 3.38Å; S434-I438 PolarHBondContact O-N 3.44Å; V435-I438 PolarHBondContact O-N 2.86Å; I438-F440 VanDerWaalsContact C-N 3.29Å; I438-F440 PolarHBondContact O-N 2.82Å; I438-C441 WeakPolarHBondContact O-CB 3.45Å; I438-C441 PolarHBondContact O-N 3.12Å; I438-T442 PolarHBondContact O-N 2.57Å; I438-T442 PolarHBondContact O-OG1 3.09Å
439	Q	97.9	Very high	96.1	Very high	69 Å²	69	33.6 Å²	33.6	32%	0.322	18%	0.177	S	C	.	.	H	α-helix	trans	-57	-46.3	180	-174.1	63.8	40	0	0	111.3	L163 V435 R436 C441 T442 D443	L163-Q439 HydrophobicContact CD1-CB 3.61Å; L163-Q439 HydrophobicContact CD1-CG 3.72Å; V435-Q439 PolarHBondContact O-N 3.43Å; R436-Q439 PolarHBondContact O-N 2.8Å; Q439-C441 VanDerWaalsContact C-N 3.28Å; Q439-C441 PolarHBondContact O-N 3.17Å; Q439-T442 PolarHBondContact O-N 3.32Å; Q439-T442 VanDerWaalsContact O-N 3.15Å; Q439-D443 VanDerWaalsContact NE2-CG 3.35Å; Q439-D443 PolarHBondContact NE2-OD1 3.43Å; Q439-D443 PolarHBondContact NE2-OD2 3.3Å; Q439-D443 WeakPolarHBondContact O-CB 3.43Å; Q439-D443 PolarHBondContact O-N 3.18Å
440	F	98.4	Very high	96.1	Very high	1 Å²	1	31.7 Å²	31.7	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-55.6	-44.1	176	-179.2	-83.4	0	0	0	111.9	I153 I156 W183 V185 I421 C423 R436 I438 T442 L444	I153-F440 HydrophobicContact CD1-CZ 4.2Å; I153-F440 HydrophobicContact CG2-CE2 4.23Å; I153-F440 HydrophobicContact CG2-CZ 4.14Å; I156-F440 HydrophobicContact CB-CD2 4.25Å; I156-F440 HydrophobicContact CB-CE2 4.08Å; I156-F440 HydrophobicContact CG2-CB 4.46Å; I156-F440 HydrophobicContact CG2-CD2 3.43Å; I156-F440 VanDerWaalsContact CG2-CD2 3.43Å; I156-F440 HydrophobicContact CG2-CE2 3.69Å; I156-F440 HydrophobicContact CG2-CG 4.03Å; I156-F440 HydrophobicContact CG2-CZ 4.49Å; W183-F440 HydrophobicContact CH2-CB 4.04Å; W183-F440 HydrophobicContact CZ2-CB 4.04Å; W183-F440 HydrophobicContact CZ2-CD2 4.28Å; W183-F440 HydrophobicContact CZ2-CG 4.44Å; V185-F440 HydrophobicContact CB-CE2 4.41Å; V185-F440 HydrophobicContact CG1-CD2 4.42Å; V185-F440 HydrophobicContact CG1-CE1 4.14Å; V185-F440 HydrophobicContact CG1-CE2 3.75Å; V185-F440 HydrophobicContact CG1-CZ 3.59Å; V185-F440 HydrophobicContact CG2-CD2 3.94Å; V185-F440 HydrophobicContact CG2-CE2 4.03Å; V185-F440 HydrophobicContact CG2-CG 4.43Å; I421-F440 HydrophobicContact CG2-CE1 4.11Å; C423-F440 WeakPolarHBondContact SG-CD1 3.27Å; R436-F440 WeakPolarHBondContact O-CB 3.22Å; R436-F440 PolarHBondContact O-N 3.26Å; I438-F440 VanDerWaalsContact C-N 3.29Å; I438-F440 PolarHBondContact O-N 2.82Å; F440-T442 PolarHBondContact O-N 2.87Å; F440-L444 HydrophobicContact CE1-CD2 4.33Å; F440-L444 VanDerWaalsContact O-CB 3.24Å; F440-L444 WeakPolarHBondContact O-CB 3.22Å; F440-L444 PolarHBondContact O-N 2.97Å
441	C	98.2	Very high	96.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.7	-40.9	178.7	-63.7	0	0	0	0	112.1	F395 V399 G437 I438 Q439 V445	F395-C441 HydrophobicContact CE2-CB 3.86Å; F395-C441 HydrophobicContact CZ-CB 3.98Å; V399-C441 HydrophobicContact CG1-CB 4.06Å; V399-C441 HydrophobicContact CG2-CB 4.36Å; G437-C441 PolarHBondContact O-N 2.85Å; G437-C441 PolarHBondContact O-SG 2.75Å; I438-C441 WeakPolarHBondContact O-CB 3.45Å; I438-C441 PolarHBondContact O-N 3.12Å; Q439-C441 VanDerWaalsContact C-N 3.28Å; Q439-C441 PolarHBondContact O-N 3.17Å; C441-V445 PolarHBondContact O-N 3.11Å
442	T	97.6	Very high	96.3	Very high	46 Å²	46	24.6 Å²	24.6	28%	0.282	14%	0.138	S	C	.	.	H	α-helix	trans	-67.4	-44.5	178.1	-57.8	0	0	0	0	112.1	I438 Q439 F440 L444 V445 S446	I438-T442 PolarHBondContact O-N 2.57Å; I438-T442 PolarHBondContact O-OG1 3.09Å; Q439-T442 PolarHBondContact O-N 3.32Å; Q439-T442 VanDerWaalsContact O-N 3.15Å; F440-T442 PolarHBondContact O-N 2.87Å; T442-L444 VanDerWaalsContact C-N 3.32Å; T442-L444 PolarHBondContact O-N 3.3Å; T442-V445 VanDerWaalsContact O-CG2 3.32Å; T442-V445 WeakPolarHBondContact O-CG2 3.45Å; T442-V445 PolarHBondContact O-N 3.12Å; T442-S446 WeakPolarHBondContact O-CB 3.46Å; T442-S446 PolarHBondContact O-N 3.23Å; T442-S446 PolarHBondContact O-OG 3.01Å
443	D	97.6	Very high	96.4	Very high	35 Å²	35	32 Å²	32	19%	0.187	16%	0.162	C	C	.	.	H	α-helix	trans	-65.9	-38	178.7	-70.7	-12.7	0	0	0	111	I156 Q439 V445 S446 L447	I156-D443 HydrophobicContact CG1-CB 4.32Å; I156-D443 HydrophobicContact CG2-CB 3.58Å; Q439-D443 VanDerWaalsContact NE2-CG 3.35Å; Q439-D443 PolarHBondContact NE2-OD1 3.43Å; Q439-D443 PolarHBondContact NE2-OD2 3.3Å; Q439-D443 WeakPolarHBondContact O-CB 3.43Å; Q439-D443 PolarHBondContact O-N 3.18Å; D443-V445 PolarHBondContact O-N 3.41Å; D443-S446 PolarHBondContact O-N 3.08Å; D443-L447 WeakPolarHBondContact O-CB 3.24Å; D443-L447 PolarHBondContact O-N 3.29Å
444	L	97.6	Very high	96.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.5	-46.2	176.2	-179.9	66.4	0	0	0	112.3	I153 I156 L413 I421 F440 T442 C448 F450	I153-L444 HydrophobicContact CD1-CD1 3.9Å; I156-L444 HydrophobicContact CD1-CD1 4.3Å; L413-L444 HydrophobicContact CD2-CD2 4.14Å; I421-L444 HydrophobicContact CD1-CD2 3.66Å; F440-L444 HydrophobicContact CE1-CD2 4.33Å; F440-L444 VanDerWaalsContact O-CB 3.24Å; F440-L444 WeakPolarHBondContact O-CB 3.22Å; F440-L444 PolarHBondContact O-N 2.97Å; T442-L444 VanDerWaalsContact C-N 3.32Å; T442-L444 PolarHBondContact O-N 3.3Å; L444-C448 WeakPolarHBondContact O-CB 3.4Å; L444-C448 PolarHBondContact O-N 3.31Å; L444-F450 HydrophobicContact CD1-CD2 4.1Å; L444-F450 HydrophobicContact CD1-CE2 4.11Å; L444-F450 HydrophobicContact CD2-CD2 4.48Å; L444-F450 HydrophobicContact CG-CD2 4.11Å
445	V	96.2	Very high	95.6	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.024	19%	0.193	C	C	.	.	H	α-helix	trans	-82.2	-18.8	-179	-60.5	0	0	0	0	113.6	V399 L401 C441 T442 D443 C448 K462	V399-V445 HydrophobicContact CG1-CG1 3.83Å; V399-V445 HydrophobicContact CG1-CG2 4.32Å; L401-V445 HydrophobicContact CD1-CG1 3.8Å; L401-V445 HydrophobicContact CG-CG1 4.29Å; C441-V445 PolarHBondContact O-N 3.11Å; T442-V445 VanDerWaalsContact O-CG2 3.32Å; T442-V445 WeakPolarHBondContact O-CG2 3.45Å; T442-V445 PolarHBondContact O-N 3.12Å; D443-V445 PolarHBondContact O-N 3.41Å; V445-C448 CarbonylContact C-O 3.52Å; V445-C448 WeakPolarHBondContact CA-O 3.35Å; V445-K462 WeakPolarHBondContact O-CE 3.16Å; V445-K462 PolarHBondContact O-NZ 3Å
446	S	94.8	Very high	94.8	Very high	75 Å²	75	40.1 Å²	40.1	52%	0.524	21%	0.205	S	C	.	.	H	α-helix	trans	-70.9	-41.1	170.4	-64.1	0	0	0	0	110.3	T442 D443	T442-S446 WeakPolarHBondContact O-CB 3.46Å; T442-S446 PolarHBondContact O-N 3.23Å; T442-S446 PolarHBondContact O-OG 3.01Å; D443-S446 PolarHBondContact O-N 3.08Å
447	L	94.2	Very high	93.7	Very high	58 Å²	58	49 Å²	49	30%	0.304	24%	0.238	S	C	.	.	H	α-helix	trans	-78.6	-44.7	177.2	-176.5	64	0	0	0	112.7	H152 I156 D443 K462 L463	H152-L447 HydrophobicContact CB-CD2 3.81Å; I156-L447 HydrophobicContact CD1-CD2 4.03Å; D443-L447 WeakPolarHBondContact O-CB 3.24Å; D443-L447 PolarHBondContact O-N 3.29Å; L447-K462 CarbonylContact O-C 3.59Å; L447-K462 WeakPolarHBondContact O-CA 3.47Å; L447-L463 HydrophobicContact CD1-CD1 3.81Å; L447-L463 HydrophobicContact CD1-CG 4.3Å; L447-L463 HydrophobicContact CD2-CD1 4.41Å; L447-L463 HydrophobicContact CG-CD1 4.04Å; L447-L463 PolarHBondContact O-N 2.78Å
448	C	94	Very high	92.4	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.007	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-112.1	148.9	-172.1	-62.2	0	0	0	0	113.1	L444 V445 F450 L463	L444-C448 WeakPolarHBondContact O-CB 3.4Å; L444-C448 PolarHBondContact O-N 3.31Å; V445-C448 CarbonylContact C-O 3.52Å; V445-C448 WeakPolarHBondContact CA-O 3.35Å; C448-F450 HydrophobicContact CB-CD2 3.35Å; C448-F450 HydrophobicContact CB-CE2 3.41Å; C448-F450 VanDerWaalsContact CB-CE2 3.41Å; C448-F450 HydrophobicContact CB-CG 4.02Å; C448-F450 HydrophobicContact CB-CZ 4.15Å; C448-F450 PolarHBondContact O-N 3.42Å; C448-L463 CarbonylContact C-O 3.58Å; C448-L463 VanDerWaalsContact CA-O 3.24Å; C448-L463 WeakPolarHBondContact CA-O 3.29Å
449	N	93.8	Very high	91	Very high	3 Å²	3	57 Å²	57	2%	0.016	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	47.4	177.4	72.3	-19.1	0	0	0	113.5	D454 K462 L463 D464 R466	N449-D454 HydrophobicContact CB-CB 4.43Å; N449-K462 HydrophobicContact CB-CB 4.32Å; N449-K462 HydrophobicContact CB-CD 4.44Å; N449-L463 PolarHBondContact N-O 3.19Å; N449-L463 PolarHBondContact OD1-O 3.15Å; N449-D464 PolarHBondContact ND2-OD2 3.41Å; N449-D464 WeakPolarHBondContact OD1-CA 3.14Å; N449-D464 WeakPolarHBondContact OD1-CB 3.32Å; N449-D464 VanDerWaalsContact OD1-CG 3.3Å; N449-D464 PolarHBondContact OD1-OD1 3.21Å; N449-R466 VanDerWaalsContact CG-NH2 3.34Å; N449-R466 PolarHBondContact ND2-NH2 3.49Å; N449-R466 PolarHBondContact O-NH2 2.75Å; N449-R466 PolarHBondContact OD1-NH2 3.07Å
450	F	95.9	Very high	89.3	Confident	9 Å²	9	58.4 Å²	58.4	4%	0.039	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-13.8	-178.7	-66.8	-41.6	0	0	0	114.4	F149 L401 V415 V418 M419 L444 C448 N452 P465	F149-F450 HydrophobicContact CE2-CE2 4.16Å; F149-F450 HydrophobicContact CE2-CZ 4.36Å; F149-F450 HydrophobicContact CZ-CE2 4.37Å; L401-F450 HydrophobicContact CD2-CB 4.47Å; L401-F450 WeakPolarHBondContact CD2-O 3.41Å; V415-F450 HydrophobicContact CG1-CB 4.16Å; V415-F450 HydrophobicContact CG1-CD1 3.84Å; V415-F450 HydrophobicContact CG1-CE1 4.47Å; V415-F450 HydrophobicContact CG1-CG 4.07Å; V418-F450 HydrophobicContact CG1-CE1 4.04Å; V418-F450 HydrophobicContact CG1-CZ 4.4Å; M419-F450 HydrophobicContact CE-CD2 3.96Å; M419-F450 HydrophobicContact CE-CE1 4.2Å; M419-F450 HydrophobicContact CE-CE2 3.29Å; M419-F450 HydrophobicContact CE-CZ 3.42Å; M419-F450 VanDerWaalsContact CE-CZ 3.42Å; L444-F450 HydrophobicContact CD1-CD2 4.1Å; L444-F450 HydrophobicContact CD1-CE2 4.11Å; L444-F450 HydrophobicContact CD2-CD2 4.48Å; L444-F450 HydrophobicContact CG-CD2 4.11Å; C448-F450 HydrophobicContact CB-CD2 3.35Å; C448-F450 HydrophobicContact CB-CE2 3.41Å; C448-F450 VanDerWaalsContact CB-CE2 3.41Å; C448-F450 HydrophobicContact CB-CG 4.02Å; C448-F450 HydrophobicContact CB-CZ 4.15Å; C448-F450 PolarHBondContact O-N 3.42Å; F450-N452 PolarHBondContact O-N 3.32Å; F450-P465 HydrophobicContact CE1-CG 4.42Å; F450-P465 HydrophobicContact CE2-CG 4.22Å; F450-P465 HydrophobicContact CZ-CB 4.24Å; F450-P465 HydrophobicContact CZ-CG 3.63Å
451	H	96	Very high	88.4	Confident	35 Å²	35	67.6 Å²	67.6	16%	0.162	34%	0.337	C	S	.	.	S	Bend	trans	-54.8	132.7	175.5	-178.1	-76.4	0	0	0	109.8	F397 V399 Y453 D454	F397-H451 PolarHBondContact O-NE2 3.47Å; V399-H451 PolarHBondContact O-CD2 3.25Å; H451-Y453 AromaticContact CE1-CD2 3.78Å; H451-Y453 PolarHBondContact ND1-N 2.92Å; H451-Y453 VanDerWaalsContact ND1-N 3.14Å; H451-Y453 PolarHBondContact O-N 3.46Å; H451-D454 HydrophobicContact CB-CB 4.09Å; H451-D454 VanDerWaalsContact O-CB 3.28Å; H451-D454 WeakPolarHBondContact O-CB 3.03Å; H451-D454 PolarHBondContact O-N 3.17Å
452	N	93.1	Very high	87.9	Confident	91 Å²	91	70.5 Å²	70.5	49%	0.487	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.1	-169.8	-174.1	52.6	0	0	0	113.9	G400 F450	G400-N452 WeakPolarHBondContact O-CB 3.39Å; G400-N452 PolarHBondContact O-N 3.31Å; F450-N452 PolarHBondContact O-N 3.32Å
453	Y	93.3	Very high	87.5	Confident	171 Å²	171	71.6 Å²	71.6	67%	0.671	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	14.6	175.8	-56.8	-72.9	0	0	0	114.2	H451	H451-Y453 AromaticContact CE1-CD2 3.78Å; H451-Y453 PolarHBondContact ND1-N 2.92Å; H451-Y453 VanDerWaalsContact ND1-N 3.14Å; H451-Y453 PolarHBondContact O-N 3.46Å
454	D	91.3	Very high	87.2	Confident	45 Å²	45	70.8 Å²	70.8	24%	0.241	35%	0.349	C	S	.	.			trans	-76.2	158.2	175.3	-140.8	-28.2	0	0	0	112.1	N449 H451 K462	N449-D454 HydrophobicContact CB-CB 4.43Å; H451-D454 HydrophobicContact CB-CB 4.09Å; H451-D454 VanDerWaalsContact O-CB 3.28Å; H451-D454 WeakPolarHBondContact O-CB 3.03Å; H451-D454 PolarHBondContact O-N 3.17Å; D454-K462 VanDerWaalsContact OD2-CD 3.3Å; D454-K462 WeakPolarHBondContact OD2-CD 3.46Å; D454-K462 WeakPolarHBondContact OD2-CE 3.4Å; D454-K462 IonicContact OD2-NZ 2.82Å; D454-K462 PolarHBondContact OD2-NZ 3.28Å
455	N	86.1	Confident	86.9	Confident	74 Å²	74	71.6 Å²	71.6	40%	0.396	35%	0.354	S	S	.	.			trans	-89.8	131	-178.9	-164.6	-59	0	0	0	111.1	R457 H458 F459	N455-R457 WeakPolarHBondContact OD1-CA 3.48Å; N455-R457 PolarHBondContact OD1-N 3.21Å; N455-H458 WeakPolarHBondContact CB-O 3.24Å; N455-H458 PolarHBondContact OD1-N 2.91Å; N455-F459 VanDerWaalsContact O-CD1 3.3Å; N455-F459 WeakPolarHBondContact O-CD1 3.36Å
456	L	82.3	Confident	86.6	Confident	85 Å²	85	75.1 Å²	75.1	45%	0.445	37%	0.367	S	S	.	.	S	Bend	trans	-82.9	-13.5	178.6	-57.6	-177.4	0	0	0	114	R467	L456-R467 PolarHBondContact O-NH2 3.13Å
457	R	73.8	Confident	86.1	Confident	206 Å²	206	75.8 Å²	75.8	78%	0.777	36%	0.358	S	S	*	.	S	Bend	trans	-110.1	-41.5	-174.6	-67	-174.5	178	-174.1	-0.1	113.2	N455	N455-R457 WeakPolarHBondContact OD1-CA 3.48Å; N455-R457 PolarHBondContact OD1-N 3.21Å
458	H	71.1	Confident	85.2	Confident	132 Å²	132	76.1 Å²	76.1	61%	0.611	36%	0.358	S	S	*	.			trans	-124.9	91.3	-172.7	-56.5	-64.2	0	0	0	109.3	N455	N455-H458 WeakPolarHBondContact CB-O 3.24Å; N455-H458 PolarHBondContact OD1-N 2.91Å
459	F	68.8	Low	83.8	Confident	58 Å²	58	78.6 Å²	78.6	25%	0.254	38%	0.384	S	S	.	.			trans	-130.3	128.6	174.8	49.9	-92.6	0	0	0	108.7	N455 K462 D464	N455-F459 VanDerWaalsContact O-CD1 3.3Å; N455-F459 WeakPolarHBondContact O-CD1 3.36Å; F459-K462 HydrophobicContact CD2-CB 4.29Å; F459-K462 WeakPolarHBondContact CD2-O 3.43Å; F459-K462 WeakPolarHBondContact CE2-O 3.34Å; F459-D464 HydrophobicContact CE1-CB 4.26Å; F459-D464 HydrophobicContact CE2-CB 4.5Å; F459-D464 HydrophobicContact CZ-CB 3.77Å
460	A	61.3	Low	82.5	Confident	97 Å²	97	80.9 Å²	80.9	80%	0.802	41%	0.408	S	S	*	.	S	Bend	trans	-75.8	-31.2	-164.9	0	0	0	0	0	113.7
461	K	79.3	Confident	81.1	Confident	194 Å²	194	83.3 Å²	83.3	84%	0.843	42%	0.422	S	S	*	.	S	Bend	trans	-148.6	-4.3	-173.6	-62.4	-173	-179.4	-179.5	0	116
462	K	88.6	Confident	79.7	Confident	62 Å²	62	84.6 Å²	84.6	27%	0.27	43%	0.428	S	S	.	.			trans	-79.4	159.1	-178.5	-63.5	-169.6	-178.8	-171.8	0	111.6	V445 L447 N449 D454 F459	V445-K462 WeakPolarHBondContact O-CE 3.16Å; V445-K462 PolarHBondContact O-NZ 3Å; L447-K462 CarbonylContact O-C 3.59Å; L447-K462 WeakPolarHBondContact O-CA 3.47Å; N449-K462 HydrophobicContact CB-CB 4.32Å; N449-K462 HydrophobicContact CB-CD 4.44Å; D454-K462 VanDerWaalsContact OD2-CD 3.3Å; D454-K462 WeakPolarHBondContact OD2-CD 3.46Å; D454-K462 WeakPolarHBondContact OD2-CE 3.4Å; D454-K462 IonicContact OD2-NZ 2.82Å; D454-K462 PolarHBondContact OD2-NZ 3.28Å; F459-K462 HydrophobicContact CD2-CB 4.29Å; F459-K462 WeakPolarHBondContact CD2-O 3.43Å; F459-K462 WeakPolarHBondContact CE2-O 3.34Å
463	L	88.6	Confident	78.8	Confident	68 Å²	68	88.5 Å²	88.5	36%	0.356	44%	0.436	S	S	.	.	B	Isolated β-bridge	trans	-92.4	141.8	172.7	-61.1	176.5	0	0	0	110.3	H152 L447 C448 N449 P465	H152-L463 VanDerWaalsContact CE1-CD1 3.45Å; H152-L463 WeakPolarHBondContact CE1-CD1 3.29Å; L447-L463 HydrophobicContact CD1-CD1 3.81Å; L447-L463 HydrophobicContact CD1-CG 4.3Å; L447-L463 HydrophobicContact CD2-CD1 4.41Å; L447-L463 HydrophobicContact CG-CD1 4.04Å; L447-L463 PolarHBondContact O-N 2.78Å; C448-L463 CarbonylContact C-O 3.58Å; C448-L463 VanDerWaalsContact CA-O 3.24Å; C448-L463 WeakPolarHBondContact CA-O 3.29Å; N449-L463 PolarHBondContact N-O 3.19Å; N449-L463 PolarHBondContact OD1-O 3.15Å; L463-P465 WeakPolarHBondContact O-CD 3.45Å
464	D	90.6	Very high	78.2	Confident	18 Å²	18	84 Å²	84	10%	0.096	43%	0.426	C	S	.	.			trans	-113.5	95.9	167	-169.9	-12.3	0	0	0	109.7	N449 F459 R466 R467	N449-D464 PolarHBondContact ND2-OD2 3.41Å; N449-D464 WeakPolarHBondContact OD1-CA 3.14Å; N449-D464 WeakPolarHBondContact OD1-CB 3.32Å; N449-D464 VanDerWaalsContact OD1-CG 3.3Å; N449-D464 PolarHBondContact OD1-OD1 3.21Å; F459-D464 HydrophobicContact CE1-CB 4.26Å; F459-D464 HydrophobicContact CE2-CB 4.5Å; F459-D464 HydrophobicContact CZ-CB 3.77Å; D464-R466 PolarHBondContact O-N 3.41Å; D464-R466 VanDerWaalsContact OD1-CB 3.29Å; D464-R466 WeakPolarHBondContact OD1-CB 3.49Å; D464-R466 IonicContact OD1-CZ 2.62Å; D464-R466 PolarHBondContact OD1-N 3.01Å; D464-R466 IonicContact OD1-NE 3.65Å; D464-R466 PolarHBondContact OD1-NE 3.09Å; D464-R466 IonicContact OD1-NH2 3.96Å; D464-R466 PolarHBondContact OD1-NH2 3.34Å; D464-R466 IonicContact OD2-CZ 3.27Å; D464-R466 IonicContact OD2-NE 2.73Å; D464-R466 IonicContact OD2-NH2 2.73Å; D464-R466 PolarHBondContact OD2-NH2 3.27Å; D464-R467 PolarHBondContact O-N 3.15Å; D464-R467 VanDerWaalsContact O-N 3.11Å; D464-R467 IonicContact OD2-NE 3.71Å
465	P	91.6	Very high	77.7	Confident	17 Å²	17	86.7 Å²	86.7	11%	0.11	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-9.8	-178.8	-25.2	37.4	0	0	0	114.3	I143 P144 F149 F450 L463 R467	I143-P465 HydrophobicContact CD1-CB 4.37Å; I143-P465 HydrophobicContact CG1-CB 4.26Å; I143-P465 HydrophobicContact CG2-CB 4.17Å; P144-P465 WeakPolarHBondContact CD-O 3.38Å; F149-P465 HydrophobicContact CD2-CB 3.77Å; F149-P465 HydrophobicContact CD2-CG 3.6Å; F149-P465 HydrophobicContact CE2-CB 4.19Å; F149-P465 HydrophobicContact CE2-CG 3.75Å; F149-P465 HydrophobicContact CG-CB 4.29Å; F450-P465 HydrophobicContact CE1-CG 4.42Å; F450-P465 HydrophobicContact CE2-CG 4.22Å; F450-P465 HydrophobicContact CZ-CB 4.24Å; F450-P465 HydrophobicContact CZ-CG 3.63Å; L463-P465 WeakPolarHBondContact O-CD 3.45Å; P465-R467 PolarHBondContact O-N 3.14Å
466	R	90.3	Very high	77.5	Confident	78 Å²	78	84.2 Å²	84.2	29%	0.294	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-12.1	175.9	-61.1	164.7	-71	-153.1	-14.3	113.5	V142 N449 D464	V142-R466 HydrophobicContact CG2-CG 4.25Å; V142-R466 VanDerWaalsContact O-CA 3.24Å; V142-R466 WeakPolarHBondContact O-CA 3.47Å; N449-R466 VanDerWaalsContact CG-NH2 3.34Å; N449-R466 PolarHBondContact ND2-NH2 3.49Å; N449-R466 PolarHBondContact O-NH2 2.75Å; N449-R466 PolarHBondContact OD1-NH2 3.07Å; D464-R466 PolarHBondContact O-N 3.41Å; D464-R466 VanDerWaalsContact OD1-CB 3.29Å; D464-R466 WeakPolarHBondContact OD1-CB 3.49Å; D464-R466 IonicContact OD1-CZ 2.62Å; D464-R466 PolarHBondContact OD1-N 3.01Å; D464-R466 IonicContact OD1-NE 3.65Å; D464-R466 PolarHBondContact OD1-NE 3.09Å; D464-R466 IonicContact OD1-NH2 3.96Å; D464-R466 PolarHBondContact OD1-NH2 3.34Å; D464-R466 IonicContact OD2-CZ 3.27Å; D464-R466 IonicContact OD2-NE 2.73Å; D464-R466 IonicContact OD2-NH2 2.73Å; D464-R466 PolarHBondContact OD2-NH2 3.27Å
467	R	84.2	Confident	77.7	Confident	89 Å²	89	80.5 Å²	80.5	34%	0.336	41%	0.405	S	S	.	.	S	Bend	trans	-112.2	146	178.5	-57.2	-169.5	-175.3	175.9	6.7	109.9	L456 D464 P465 G469	L456-R467 PolarHBondContact O-NH2 3.13Å; D464-R467 PolarHBondContact O-N 3.15Å; D464-R467 VanDerWaalsContact O-N 3.11Å; D464-R467 IonicContact OD2-NE 3.71Å; P465-R467 PolarHBondContact O-N 3.14Å; R467-G469 PolarHBondContact O-N 3.08Å
468	E	76.4	Confident	78.3	Confident	65 Å²	65	75.2 Å²	75.2	30%	0.304	39%	0.391	S	S	.	.			trans	-66	122.7	171.5	-69.6	-174.8	-166.3	0	0	109.4	K139 P144 D145 G470 D471 Q472	K139-E468 WeakPolarHBondContact CB-OE1 3.08Å; K139-E468 HydrophobicContact CD-CG 4.49Å; K139-E468 WeakPolarHBondContact CD-OE1 3.36Å; P144-E468 HydrophobicContact CB-CG 3.58Å; P144-E468 HydrophobicContact CG-CG 4.09Å; D145-E468 WeakPolarHBondContact OD2-CA 3.04Å; E468-G470 VanDerWaalsContact C-N 3.35Å; E468-G470 PolarHBondContact O-N 3.41Å; E468-D471 HydrophobicContact CB-CB 3.77Å; E468-D471 PolarHBondContact O-N 3.32Å; E468-Q472 PolarHBondContact O-N 3.18Å; E468-Q472 VanDerWaalsContact O-N 3.08Å
469	G	64.5	Low	79.2	Confident	54 Å²	54	73.1 Å²	73.1	56%	0.557	38%	0.384	S	S	*	.	H	α-helix	trans	-62.5	-39.8	-169.1	0	0	0	0	0	113.2	D145 R467	D145-G469 PolarHBondContact OD2-N 3.24Å; R467-G469 PolarHBondContact O-N 3.08Å
470	G	64.9	Low	80.2	Confident	51 Å²	51	70.4 Å²	70.4	53%	0.526	37%	0.372	S	S	.	.	H	α-helix	trans	-71.3	-39.8	176.3	0	0	0	0	0	113.2	E468 Q472 R473 V474	E468-G470 VanDerWaalsContact C-N 3.35Å; E468-G470 PolarHBondContact O-N 3.41Å; G470-Q472 PolarHBondContact O-N 3.5Å; G470-R473 PolarHBondContact O-N 3.08Å; G470-V474 VanDerWaalsContact O-CG2 3.29Å; G470-V474 WeakPolarHBondContact O-CG2 3.47Å; G470-V474 PolarHBondContact O-N 3.35Å; G470-V474 VanDerWaalsContact O-N 3.08Å
471	D	66.8	Low	81.6	Confident	59 Å²	59	66.5 Å²	66.5	32%	0.316	34%	0.338	S	S	.	.	H	α-helix	trans	-68.4	-35.9	-177.2	-175.6	45.5	0	0	0	111.9	E468 V474 K475	E468-D471 HydrophobicContact CB-CB 3.77Å; E468-D471 PolarHBondContact O-N 3.32Å; D471-V474 PolarHBondContact O-N 2.62Å; D471-K475 VanDerWaalsContact CG-CE 3.5Å; D471-K475 VanDerWaalsContact O-CB 3.23Å; D471-K475 WeakPolarHBondContact O-CB 3.47Å; D471-K475 VanDerWaalsContact O-CG 3.27Å; D471-K475 WeakPolarHBondContact O-CG 3.45Å; D471-K475 PolarHBondContact O-N 3.26Å; D471-K475 VanDerWaalsContact OD1-CE 3.23Å; D471-K475 WeakPolarHBondContact OD1-CE 3.3Å; D471-K475 IonicContact OD1-NZ 2.93Å; D471-K475 WeakPolarHBondContact OD2-CD 3.29Å; D471-K475 WeakPolarHBondContact OD2-CE 3.3Å; D471-K475 IonicContact OD2-NZ 3.57Å; D471-K475 PolarHBondContact OD2-NZ 3.3Å
472	Q	68.1	Low	82.3	Confident	62 Å²	62	63.2 Å²	63.2	29%	0.29	32%	0.324	S	S	.	.	H	α-helix	trans	-64.4	-43.5	176.7	-176.1	59.5	59.6	0	0	112.1	E468 G470 S476	E468-Q472 PolarHBondContact O-N 3.18Å; E468-Q472 VanDerWaalsContact O-N 3.08Å; G470-Q472 PolarHBondContact O-N 3.5Å; Q472-S476 PolarHBondContact NE2-OG 3.1Å; Q472-S476 WeakPolarHBondContact O-CB 3.41Å; Q472-S476 PolarHBondContact O-N 3.48Å; Q472-S476 PolarHBondContact O-OG 2.95Å; Q472-S476 VanDerWaalsContact O-OG 3.04Å
473	R	73.9	Confident	82.5	Confident	173 Å²	173	60.5 Å²	60.5	65%	0.653	31%	0.313	S	S	*	.	H	α-helix	trans	-62.4	-49.7	176.1	-174.2	179.1	-179	-176.1	1.7	110.1	G470 K475 S476 V477	G470-R473 PolarHBondContact O-N 3.08Å; R473-K475 PolarHBondContact O-N 3.05Å; R473-S476 PolarHBondContact O-N 2.87Å; R473-V477 HydrophobicContact CG-CG2 4.4Å; R473-V477 WeakPolarHBondContact O-CG2 3.03Å; R473-V477 PolarHBondContact O-N 3.02Å
474	V	79.6	Confident	82.8	Confident	77 Å²	77	57.3 Å²	57.3	47%	0.467	30%	0.296	S	S	.	.	H	α-helix	trans	-61.9	-44	-179.5	173.6	0	0	0	0	111.7	G470 D471 S476 V477 I478	G470-V474 VanDerWaalsContact O-CG2 3.29Å; G470-V474 WeakPolarHBondContact O-CG2 3.47Å; G470-V474 PolarHBondContact O-N 3.35Å; G470-V474 VanDerWaalsContact O-N 3.08Å; D471-V474 PolarHBondContact O-N 2.62Å; V474-S476 PolarHBondContact O-N 3.11Å; V474-V477 PolarHBondContact O-N 3.17Å; V474-I478 HydrophobicContact CG1-CD1 3.64Å; V474-I478 HydrophobicContact CG1-CG1 4.28Å; V474-I478 WeakPolarHBondContact O-CB 3.28Å; V474-I478 VanDerWaalsContact O-CG1 3.25Å; V474-I478 WeakPolarHBondContact O-CG1 3.06Å; V474-I478 PolarHBondContact O-N 3.22Å
475	K	81.1	Confident	82.9	Confident	102 Å²	102	62 Å²	62	44%	0.443	31%	0.313	S	S	.	.	H	α-helix	trans	-62.5	-42.5	175.8	-78.8	173.7	173	166.8	0	112.6	D471 R473 I478 N479	D471-K475 VanDerWaalsContact CG-CE 3.5Å; D471-K475 VanDerWaalsContact O-CB 3.23Å; D471-K475 WeakPolarHBondContact O-CB 3.47Å; D471-K475 VanDerWaalsContact O-CG 3.27Å; D471-K475 WeakPolarHBondContact O-CG 3.45Å; D471-K475 PolarHBondContact O-N 3.26Å; D471-K475 VanDerWaalsContact OD1-CE 3.23Å; D471-K475 WeakPolarHBondContact OD1-CE 3.3Å; D471-K475 IonicContact OD1-NZ 2.93Å; D471-K475 WeakPolarHBondContact OD2-CD 3.29Å; D471-K475 WeakPolarHBondContact OD2-CE 3.3Å; D471-K475 IonicContact OD2-NZ 3.57Å; D471-K475 PolarHBondContact OD2-NZ 3.3Å; R473-K475 PolarHBondContact O-N 3.05Å; K475-I478 PolarHBondContact O-N 3.33Å; K475-N479 WeakPolarHBondContact O-CB 3.25Å; K475-N479 PolarHBondContact O-N 3.41Å; K475-N479 PolarHBondContact O-ND2 3.39Å
476	S	81.9	Confident	83	Confident	22 Å²	22	64.5 Å²	64.5	15%	0.154	33%	0.329	C	S	.	.	H	α-helix	trans	-60.9	-45.5	175	-67.4	0	0	0	0	111.2	Q472 R473 V474 N479 L480	Q472-S476 PolarHBondContact NE2-OG 3.1Å; Q472-S476 WeakPolarHBondContact O-CB 3.41Å; Q472-S476 PolarHBondContact O-N 3.48Å; Q472-S476 PolarHBondContact O-OG 2.95Å; Q472-S476 VanDerWaalsContact O-OG 3.04Å; R473-S476 PolarHBondContact O-N 2.87Å; V474-S476 PolarHBondContact O-N 3.11Å; S476-N479 PolarHBondContact O-N 2.66Å; S476-L480 WeakPolarHBondContact O-CB 3.47Å; S476-L480 PolarHBondContact O-N 3.29Å
477	V	85.7	Confident	83.1	Confident	6 Å²	6	61.9 Å²	61.9	4%	0.036	33%	0.326	C	S	.	.	H	α-helix	trans	-59.8	-49.9	175.9	-178.2	0	0	0	0	110.7	R473 V474 N479 L480 L481 Q504 D506	R473-V477 HydrophobicContact CG-CG2 4.4Å; R473-V477 WeakPolarHBondContact O-CG2 3.03Å; R473-V477 PolarHBondContact O-N 3.02Å; V474-V477 PolarHBondContact O-N 3.17Å; V477-N479 VanDerWaalsContact C-N 3.32Å; V477-N479 PolarHBondContact O-N 2.98Å; V477-L480 WeakPolarHBondContact O-CB 3.41Å; V477-L480 PolarHBondContact O-N 3.3Å; V477-L481 HydrophobicContact CG1-CD1 4.12Å; V477-L481 HydrophobicContact CG1-CG 4.28Å; V477-L481 WeakPolarHBondContact O-CG 3.25Å; V477-L481 PolarHBondContact O-N 3.32Å; V477-Q504 HydrophobicContact CG2-CB 3.96Å; V477-D506 HydrophobicContact CG1-CB 4.37Å
478	I	87.7	Confident	83.5	Confident	95 Å²	95	60.6 Å²	60.6	49%	0.487	33%	0.325	S	S	.	.	H	α-helix	trans	-60	-44.1	-179.2	-70.5	168.7	0	0	0	110.7	V474 K475 L480 L481 F482	V474-I478 HydrophobicContact CG1-CD1 3.64Å; V474-I478 HydrophobicContact CG1-CG1 4.28Å; V474-I478 WeakPolarHBondContact O-CB 3.28Å; V474-I478 VanDerWaalsContact O-CG1 3.25Å; V474-I478 WeakPolarHBondContact O-CG1 3.06Å; V474-I478 PolarHBondContact O-N 3.22Å; K475-I478 PolarHBondContact O-N 3.33Å; I478-L480 VanDerWaalsContact C-N 3.32Å; I478-L480 PolarHBondContact O-N 2.91Å; I478-L481 PolarHBondContact O-N 2.79Å; I478-F482 VanDerWaalsContact O-CB 3.24Å; I478-F482 WeakPolarHBondContact O-CB 3.48Å; I478-F482 PolarHBondContact O-N 3.42Å
479	N	89.2	Confident	84.2	Confident	89 Å²	89	58.4 Å²	58.4	48%	0.476	32%	0.316	S	S	.	.	H	α-helix	trans	-64.6	-38.1	178.6	-69.2	-21.4	0	0	0	112.1	K475 S476 V477 A483 F495	K475-N479 WeakPolarHBondContact O-CB 3.25Å; K475-N479 PolarHBondContact O-N 3.41Å; K475-N479 PolarHBondContact O-ND2 3.39Å; S476-N479 PolarHBondContact O-N 2.66Å; V477-N479 VanDerWaalsContact C-N 3.32Å; V477-N479 PolarHBondContact O-N 2.98Å; N479-A483 PolarHBondContact O-N 3.29Å; N479-A483 VanDerWaalsContact O-N 3.14Å; N479-F495 HydrophobicContact CB-CZ 4.07Å
480	L	90.9	Very high	85.5	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63	-49.9	174.7	175.8	66.7	0	0	0	111.1	S476 V477 I478 A483 A484 L492 F495 M500 M502 A512	S476-L480 WeakPolarHBondContact O-CB 3.47Å; S476-L480 PolarHBondContact O-N 3.29Å; V477-L480 WeakPolarHBondContact O-CB 3.41Å; V477-L480 PolarHBondContact O-N 3.3Å; I478-L480 VanDerWaalsContact C-N 3.32Å; I478-L480 PolarHBondContact O-N 2.91Å; L480-A483 PolarHBondContact O-N 2.73Å; L480-A484 PolarHBondContact O-N 3.47Å; L480-L492 HydrophobicContact CD1-CD2 3.55Å; L480-F495 HydrophobicContact CD1-CB 4.36Å; L480-F495 HydrophobicContact CD1-CD2 4Å; L480-M500 HydrophobicContact CB-SD 4.3Å; L480-M502 HydrophobicContact CD1-CE 3.64Å; L480-M502 HydrophobicContact CD1-SD 3.7Å; L480-A512 HydrophobicContact CD2-CB 4.49Å; L480-A512 HydrophobicContact CG-CB 4.25Å
481	L	91.1	Very high	86.8	Confident	15 Å²	15	57.1 Å²	57.1	8%	0.079	29%	0.292	C	S	.	.	H	α-helix	trans	-67.6	-36	-180	-64.8	-172.9	0	0	0	112.6	V477 I478 A483 A484 Y485 D506 A512 V515	V477-L481 HydrophobicContact CG1-CD1 4.12Å; V477-L481 HydrophobicContact CG1-CG 4.28Å; V477-L481 WeakPolarHBondContact O-CG 3.25Å; V477-L481 PolarHBondContact O-N 3.32Å; I478-L481 PolarHBondContact O-N 2.79Å; L481-A483 VanDerWaalsContact C-N 3.33Å; L481-A483 PolarHBondContact O-N 2.85Å; L481-A484 WeakPolarHBondContact O-CB 3.41Å; L481-A484 PolarHBondContact O-N 3.29Å; L481-Y485 PolarHBondContact O-N 3.5Å; L481-D506 HydrophobicContact CD1-CB 3.52Å; L481-A512 HydrophobicContact CD2-CB 4.01Å; L481-V515 HydrophobicContact CB-CG2 4.46Å; L481-V515 HydrophobicContact CD1-CG2 4.46Å; L481-V515 HydrophobicContact CD2-CG2 4.07Å
482	F	93.1	Very high	87.9	Confident	126 Å²	126	54.3 Å²	54.3	55%	0.553	28%	0.277	S	S	*	.	H	α-helix	trans	-64.7	-38.7	176.2	-175.3	-102.1	0	0	0	111.6	I478 A484 Y485 T486	I478-F482 VanDerWaalsContact O-CB 3.24Å; I478-F482 WeakPolarHBondContact O-CB 3.48Å; I478-F482 PolarHBondContact O-N 3.42Å; F482-A484 VanDerWaalsContact C-N 3.29Å; F482-A484 PolarHBondContact O-N 3.04Å; F482-Y485 HydrophobicContact CD2-CD1 4.35Å; F482-Y485 HydrophobicContact CE2-CD1 4.27Å; F482-Y485 WeakPolarHBondContact O-CB 3.23Å; F482-Y485 PolarHBondContact O-N 2.88Å; F482-T486 HydrophobicContact CD1-CG2 4.28Å; F482-T486 HydrophobicContact CE1-CG2 3.78Å; F482-T486 HydrophobicContact CE2-CG2 4.15Å; F482-T486 HydrophobicContact CZ-CG2 3.71Å; F482-T486 PolarHBondContact O-N 2.7Å; F482-T486 PolarHBondContact O-OG1 3.09Å
483	A	93.3	Very high	88.9	Confident	5 Å²	5	58.4 Å²	58.4	4%	0.041	29%	0.289	C	S	.	.	H	α-helix	trans	-63.9	-35.6	173.2	0	0	0	0	0	112.3	N479 L480 L481 T486 G487 D488 A491 L492 F495	N479-A483 PolarHBondContact O-N 3.29Å; N479-A483 VanDerWaalsContact O-N 3.14Å; L480-A483 PolarHBondContact O-N 2.73Å; L481-A483 VanDerWaalsContact C-N 3.33Å; L481-A483 PolarHBondContact O-N 2.85Å; A483-T486 PolarHBondContact O-OG1 3.24Å; A483-G487 PolarHBondContact O-N 2.95Å; A483-D488 PolarHBondContact O-N 3.28Å; A483-A491 HydrophobicContact CB-CB 3.8Å; A483-L492 HydrophobicContact CB-CD2 3.89Å; A483-L492 HydrophobicContact CB-CG 4.09Å; A483-F495 HydrophobicContact CB-CE2 4.1Å
484	A	93.3	Very high	89.6	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-68.1	-38.4	173	0	0	0	0	0	112.3	L480 L481 F482 G487 A512 V515 A516 H521 V524	L480-A484 PolarHBondContact O-N 3.47Å; L481-A484 WeakPolarHBondContact O-CB 3.41Å; L481-A484 PolarHBondContact O-N 3.29Å; F482-A484 VanDerWaalsContact C-N 3.29Å; F482-A484 PolarHBondContact O-N 3.04Å; A484-G487 PolarHBondContact O-N 3.28Å; A484-A512 HydrophobicContact CB-CB 4.14Å; A484-V515 HydrophobicContact CB-CB 4.46Å; A484-V515 HydrophobicContact CB-CG1 4.45Å; A484-A516 HydrophobicContact CB-CB 4.36Å; A484-H521 PolarHBondContact O-CD2 3Å; A484-H521 VanDerWaalsContact O-CD2 3.26Å; A484-V524 HydrophobicContact CB-CG1 4.31Å
485	Y	93.4	Very high	90	Very high	117 Å²	117	56 Å²	56	46%	0.459	27%	0.273	S	S	.	.	H	α-helix	trans	-64.5	-43.9	176.1	172.5	-101.3	0	0	0	112.9	L481 F482 G487 E519 H521	L481-Y485 PolarHBondContact O-N 3.5Å; F482-Y485 HydrophobicContact CD2-CD1 4.35Å; F482-Y485 HydrophobicContact CE2-CD1 4.27Å; F482-Y485 WeakPolarHBondContact O-CB 3.23Å; F482-Y485 PolarHBondContact O-N 2.88Å; Y485-G487 VanDerWaalsContact C-N 3.28Å; Y485-G487 PolarHBondContact O-N 2.75Å; Y485-E519 VanDerWaalsContact CD2-CD 3.49Å; Y485-E519 HydrophobicContact CD2-CG 3.68Å; Y485-E519 WeakPolarHBondContact CD2-OE1 3.37Å; Y485-E519 VanDerWaalsContact CE2-CD 3.4Å; Y485-E519 HydrophobicContact CE2-CG 4.13Å; Y485-E519 WeakPolarHBondContact CE2-OE1 3.4Å; Y485-H521 PolarHBondContact O-CD2 2.83Å; Y485-H521 PolarHBondContact O-NE2 2.87Å
486	T	93.6	Very high	90.3	Very high	70 Å²	70	52.7 Å²	52.7	43%	0.429	27%	0.265	S	S	.	.	H	α-helix	trans	-79.1	-9.7	179.9	59.8	0	0	0	0	114	F482 A483	F482-T486 HydrophobicContact CD1-CG2 4.28Å; F482-T486 HydrophobicContact CE1-CG2 3.78Å; F482-T486 HydrophobicContact CE2-CG2 4.15Å; F482-T486 HydrophobicContact CZ-CG2 3.71Å; F482-T486 PolarHBondContact O-N 2.7Å; F482-T486 PolarHBondContact O-OG1 3.09Å; A483-T486 PolarHBondContact O-OG1 3.24Å
487	G	92.1	Very high	90.5	Very high	23 Å²	23	58.7 Å²	58.7	24%	0.237	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	18.8	-173.9	0	0	0	0	0	114.3	A483 A484 Y485 V489	A483-G487 PolarHBondContact O-N 2.95Å; A484-G487 PolarHBondContact O-N 3.28Å; Y485-G487 VanDerWaalsContact C-N 3.28Å; Y485-G487 PolarHBondContact O-N 2.75Å; G487-V489 PolarHBondContact O-N 3.17Å
488	D	93.3	Very high	90.3	Very high	61 Å²	61	61 Å²	61	33%	0.326	31%	0.311	S	S	.	.			trans	-80.3	85	-178.2	-174	-2.9	0	0	0	111.9	A483 S490 A491 L492 R494	A483-D488 PolarHBondContact O-N 3.28Å; D488-S490 PolarHBondContact O-N 3.24Å; D488-S490 WeakPolarHBondContact OD1-CA 3.23Å; D488-S490 VanDerWaalsContact OD1-CB 3.24Å; D488-S490 WeakPolarHBondContact OD1-CB 3.27Å; D488-S490 PolarHBondContact OD1-N 2.84Å; D488-A491 HydrophobicContact CB-CB 4.09Å; D488-A491 PolarHBondContact O-N 2.71Å; D488-A491 PolarHBondContact OD1-N 2.77Å; D488-A491 VanDerWaalsContact OD2-CB 3.31Å; D488-A491 WeakPolarHBondContact OD2-CB 3.39Å; D488-L492 PolarHBondContact O-N 3.28Å; D488-R494 IonicContact OD2-NH2 3.91Å
489	V	91.9	Very high	89.9	Confident	19 Å²	19	61.6 Å²	61.6	12%	0.115	32%	0.324	C	S	.	.	H	α-helix	trans	-59.3	-29.6	173.9	-177.5	0	0	0	0	111.8	G487 L492 R493 E523 V524 F527	G487-V489 PolarHBondContact O-N 3.17Å; V489-L492 PolarHBondContact O-N 2.78Å; V489-R493 HydrophobicContact CG1-CG 4.28Å; V489-R493 WeakPolarHBondContact O-CB 3.23Å; V489-R493 VanDerWaalsContact O-CG 3.27Å; V489-R493 WeakPolarHBondContact O-CG 3.32Å; V489-R493 PolarHBondContact O-N 2.83Å; V489-E523 HydrophobicContact CG2-CB 3.96Å; V489-V524 HydrophobicContact CG2-CG2 3.78Å; V489-F527 HydrophobicContact CG1-CB 4.38Å; V489-F527 HydrophobicContact CG1-CG 4.32Å
490	S	91.8	Very high	89.6	Confident	71 Å²	71	59.3 Å²	59.3	50%	0.497	31%	0.311	S	S	.	.	H	α-helix	trans	-69	-40.1	179.6	-63	0	0	0	0	111.5	D488 R494	D488-S490 PolarHBondContact O-N 3.24Å; D488-S490 WeakPolarHBondContact OD1-CA 3.23Å; D488-S490 VanDerWaalsContact OD1-CB 3.24Å; D488-S490 WeakPolarHBondContact OD1-CB 3.27Å; D488-S490 PolarHBondContact OD1-N 2.84Å; S490-R494 WeakPolarHBondContact O-CG 3.43Å; S490-R494 PolarHBondContact O-N 3.45Å; S490-R494 VanDerWaalsContact O-N 3.12Å
491	A	90.4	Very high	89.4	Confident	8 Å²	8	63.4 Å²	63.4	7%	0.066	33%	0.332	C	S	.	.	H	α-helix	trans	-63.5	-44.7	171.6	0	0	0	0	0	112	A483 D488 R493 R494 F495	A483-A491 HydrophobicContact CB-CB 3.8Å; D488-A491 HydrophobicContact CB-CB 4.09Å; D488-A491 PolarHBondContact O-N 2.71Å; D488-A491 PolarHBondContact OD1-N 2.77Å; D488-A491 VanDerWaalsContact OD2-CB 3.31Å; D488-A491 WeakPolarHBondContact OD2-CB 3.39Å; A491-R493 PolarHBondContact O-N 3.33Å; A491-R494 VanDerWaalsContact CA-NH2 3.34Å; A491-R494 WeakPolarHBondContact O-CB 3.49Å; A491-R494 PolarHBondContact O-N 3.07Å; A491-R494 VanDerWaalsContact O-N 3.12Å; A491-F495 HydrophobicContact CB-CE2 4.28Å; A491-F495 VanDerWaalsContact O-CD2 3.26Å; A491-F495 WeakPolarHBondContact O-CD2 3.24Å; A491-F495 WeakPolarHBondContact O-CG 3.47Å; A491-F495 PolarHBondContact O-N 2.93Å
492	L	90.3	Very high	89.2	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-63	-39.8	177.7	-66	176.2	0	0	0	112.7	L480 A483 D488 V489 R494 F495 A496 M502 V524 F527	L480-L492 HydrophobicContact CD1-CD2 3.55Å; A483-L492 HydrophobicContact CB-CD2 3.89Å; A483-L492 HydrophobicContact CB-CG 4.09Å; D488-L492 PolarHBondContact O-N 3.28Å; V489-L492 PolarHBondContact O-N 2.78Å; L492-R494 VanDerWaalsContact C-N 3.33Å; L492-R494 PolarHBondContact O-N 3.38Å; L492-F495 HydrophobicContact CD2-CD2 4.42Å; L492-F495 PolarHBondContact O-N 3.5Å; L492-A496 WeakPolarHBondContact O-CB 3.4Å; L492-A496 PolarHBondContact O-N 3.19Å; L492-M502 HydrophobicContact CB-CE 4.43Å; L492-M502 HydrophobicContact CD2-CE 4.13Å; L492-V524 HydrophobicContact CD1-CB 4.17Å; L492-V524 HydrophobicContact CD1-CG1 3.35Å; L492-V524 HydrophobicContact CD1-CG2 3.91Å; L492-F527 HydrophobicContact CB-CD1 3.89Å; L492-F527 HydrophobicContact CB-CE1 3.68Å; L492-F527 HydrophobicContact CD1-CD1 4.48Å
493	R	90.5	Very high	89	Confident	148 Å²	148	61.5 Å²	61.5	56%	0.558	33%	0.325	S	S	*	.	H	α-helix	trans	-59.1	-43.1	171.6	-76.2	175.8	-174.4	-151.4	5	111.8	V489 A491 A496 L497 F527	V489-R493 HydrophobicContact CG1-CG 4.28Å; V489-R493 WeakPolarHBondContact O-CB 3.23Å; V489-R493 VanDerWaalsContact O-CG 3.27Å; V489-R493 WeakPolarHBondContact O-CG 3.32Å; V489-R493 PolarHBondContact O-N 2.83Å; A491-R493 PolarHBondContact O-N 3.33Å; R493-A496 PolarHBondContact O-N 3.34Å; R493-L497 WeakPolarHBondContact O-CB 3.46Å; R493-L497 WeakPolarHBondContact O-CD1 3.34Å; R493-L497 WeakPolarHBondContact O-CG 3.28Å; R493-L497 PolarHBondContact O-N 3.06Å; R493-F527 HydrophobicContact CB-CE2 4.46Å; R493-F527 HydrophobicContact CB-CZ 4.32Å; R493-F527 HydrophobicContact CG-CD2 4.09Å; R493-F527 HydrophobicContact CG-CE2 3.47Å; R493-F527 VanDerWaalsContact CG-CE2 3.47Å; R493-F527 HydrophobicContact CG-CZ 3.75Å
494	R	87.9	Confident	88.7	Confident	152 Å²	152	62.8 Å²	62.8	57%	0.574	33%	0.33	S	S	*	.	H	α-helix	trans	-63.5	-41	175.6	-71	-175.4	-62.5	-104.7	1.2	112	D488 S490 A491 L492 L497 S498	D488-R494 IonicContact OD2-NH2 3.91Å; S490-R494 WeakPolarHBondContact O-CG 3.43Å; S490-R494 PolarHBondContact O-N 3.45Å; S490-R494 VanDerWaalsContact O-N 3.12Å; A491-R494 VanDerWaalsContact CA-NH2 3.34Å; A491-R494 WeakPolarHBondContact O-CB 3.49Å; A491-R494 PolarHBondContact O-N 3.07Å; A491-R494 VanDerWaalsContact O-N 3.12Å; L492-R494 VanDerWaalsContact C-N 3.33Å; L492-R494 PolarHBondContact O-N 3.38Å; R494-L497 PolarHBondContact O-N 3.29Å; R494-S498 PolarHBondContact O-N 3.24Å; R494-S498 PolarHBondContact O-OG 3.14Å
495	F	87.9	Confident	88.6	Confident	46 Å²	46	68.8 Å²	68.8	20%	0.202	35%	0.353	C	S	.	.	H	α-helix	trans	-65.6	-45.9	177	-65.8	-44.4	0	0	0	112.1	N479 L480 A483 A491 L492 L497 S498 M500 M502	N479-F495 HydrophobicContact CB-CZ 4.07Å; L480-F495 HydrophobicContact CD1-CB 4.36Å; L480-F495 HydrophobicContact CD1-CD2 4Å; A483-F495 HydrophobicContact CB-CE2 4.1Å; A491-F495 HydrophobicContact CB-CE2 4.28Å; A491-F495 VanDerWaalsContact O-CD2 3.26Å; A491-F495 WeakPolarHBondContact O-CD2 3.24Å; A491-F495 WeakPolarHBondContact O-CG 3.47Å; A491-F495 PolarHBondContact O-N 2.93Å; L492-F495 HydrophobicContact CD2-CD2 4.42Å; L492-F495 PolarHBondContact O-N 3.5Å; F495-L497 PolarHBondContact O-N 2.96Å; F495-S498 WeakPolarHBondContact CA-OG 3.48Å; F495-S498 PolarHBondContact O-N 2.85Å; F495-S498 PolarHBondContact O-OG 2.99Å; F495-M500 HydrophobicContact CB-CB 4.35Å; F495-M500 HydrophobicContact CB-SD 4.11Å; F495-M500 HydrophobicContact CD1-CE 3.99Å; F495-M500 HydrophobicContact CD1-SD 4.12Å; F495-M500 HydrophobicContact CE1-CE 4.47Å; F495-M500 HydrophobicContact CG-SD 4.14Å; F495-M500 WeakPolarHBondContact O-CB 3.35Å; F495-M500 PolarHBondContact O-N 3.47Å; F495-M502 HydrophobicContact CB-SD 4.29Å
496	A	86.5	Confident	88.4	Confident	34 Å²	34	64.5 Å²	64.5	28%	0.281	34%	0.338	S	S	.	.	H	α-helix	trans	-60.1	-44.3	175.3	0	0	0	0	0	111.9	L492 R493 S498 S499 M502 F527	L492-A496 WeakPolarHBondContact O-CB 3.4Å; L492-A496 PolarHBondContact O-N 3.19Å; R493-A496 PolarHBondContact O-N 3.34Å; A496-S498 PolarHBondContact O-N 3.24Å; A496-S499 PolarHBondContact O-N 3.06Å; A496-M502 HydrophobicContact CB-SD 4.37Å; A496-F527 HydrophobicContact CB-CE1 4.3Å; A496-F527 HydrophobicContact CB-CZ 3.82Å
497	L	86.6	Confident	88	Confident	148 Å²	148	69 Å²	69	78%	0.775	35%	0.348	S	S	*	.	H	α-helix	trans	-62.7	-28.2	175	-73.6	168.8	0	0	0	113	R493 R494 F495 S499	R493-L497 WeakPolarHBondContact O-CB 3.46Å; R493-L497 WeakPolarHBondContact O-CD1 3.34Å; R493-L497 WeakPolarHBondContact O-CG 3.28Å; R493-L497 PolarHBondContact O-N 3.06Å; R494-L497 PolarHBondContact O-N 3.29Å; F495-L497 PolarHBondContact O-N 2.96Å; L497-S499 PolarHBondContact O-N 2.68Å
498	S	81.8	Confident	87.9	Confident	53 Å²	53	68.2 Å²	68.2	37%	0.371	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	8.1	175.6	71.9	0	0	0	0	114.2	R494 F495 A496 M500	R494-S498 PolarHBondContact O-N 3.24Å; R494-S498 PolarHBondContact O-OG 3.14Å; F495-S498 WeakPolarHBondContact CA-OG 3.48Å; F495-S498 PolarHBondContact O-N 2.85Å; F495-S498 PolarHBondContact O-OG 2.99Å; A496-S498 PolarHBondContact O-N 3.24Å; S498-M500 PolarHBondContact O-N 2.93Å
499	S	80.1	Confident	87.8	Confident	109 Å²	109	67.5 Å²	67.5	76%	0.762	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	31.5	-174.8	-52.4	0	0	0	0	113.1	A496 L497	A496-S499 PolarHBondContact O-N 3.06Å; L497-S499 PolarHBondContact O-N 2.68Å
500	M	82.8	Confident	87.7	Confident	40 Å²	40	69.9 Å²	69.9	20%	0.197	35%	0.345	C	S	.	.			trans	-71.6	134.5	171.7	-175.3	172.6	-74.2	0	0	109.2	L480 F495 S498 M502	L480-M500 HydrophobicContact CB-SD 4.3Å; F495-M500 HydrophobicContact CB-CB 4.35Å; F495-M500 HydrophobicContact CB-SD 4.11Å; F495-M500 HydrophobicContact CD1-CE 3.99Å; F495-M500 HydrophobicContact CD1-SD 4.12Å; F495-M500 HydrophobicContact CE1-CE 4.47Å; F495-M500 HydrophobicContact CG-SD 4.14Å; F495-M500 WeakPolarHBondContact O-CB 3.35Å; F495-M500 PolarHBondContact O-N 3.47Å; S498-M500 PolarHBondContact O-N 2.93Å; M500-M502 PolarHBondContact O-N 3.32Å
501	D	85.6	Confident	87.8	Confident	86 Å²	86	66.7 Å²	66.7	46%	0.46	32%	0.322	S	S	.	.			trans	-66.2	113.7	171	171.6	18.9	0	0	0	109.7	E503 Q504	D501-E503 VanDerWaalsContact C-N 3.27Å; D501-E503 PolarHBondContact O-N 3.39Å; D501-E503 WeakPolarHBondContact OD1-CB 3.38Å; D501-E503 PolarHBondContact OD1-N 3.39Å; D501-Q504 HydrophobicContact CB-CG 4.06Å; D501-Q504 VanDerWaalsContact O-CG 3.25Å; D501-Q504 WeakPolarHBondContact O-CG 3.22Å
502	M	87	Confident	87.9	Confident	12 Å²	12	66.3 Å²	66.3	6%	0.059	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-7.2	-176.8	-57.2	-65.3	-77.6	0	0	112.4	L480 L492 F495 A496 M500 Q504 F527 L528 C532 V534	L480-M502 HydrophobicContact CD1-CE 3.64Å; L480-M502 HydrophobicContact CD1-SD 3.7Å; L492-M502 HydrophobicContact CB-CE 4.43Å; L492-M502 HydrophobicContact CD2-CE 4.13Å; F495-M502 HydrophobicContact CB-SD 4.29Å; A496-M502 HydrophobicContact CB-SD 4.37Å; M500-M502 PolarHBondContact O-N 3.32Å; M502-Q504 VanDerWaalsContact C-N 3.34Å; M502-F527 HydrophobicContact CE-CE1 4.16Å; M502-L528 HydrophobicContact CE-CD2 3.62Å; M502-C532 HydrophobicContact CB-CB 4.33Å; M502-C532 HydrophobicContact CG-CB 4.12Å; M502-V534 HydrophobicContact CB-CG2 3.86Å
503	E	89.2	Confident	88.1	Confident	89 Å²	89	66.3 Å²	66.3	42%	0.416	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	6.5	177.2	-55.2	-152.3	117.1	0	0	113.3	D501 V534 N535	D501-E503 VanDerWaalsContact C-N 3.27Å; D501-E503 PolarHBondContact O-N 3.39Å; D501-E503 WeakPolarHBondContact OD1-CB 3.38Å; D501-E503 PolarHBondContact OD1-N 3.39Å; E503-V534 HydrophobicContact CG-CG1 4.15Å; E503-V534 HydrophobicContact CG-CG2 4.38Å; E503-N535 VanDerWaalsContact OE1-CB 3.23Å; E503-N535 WeakPolarHBondContact OE1-CB 3.36Å; E503-N535 PolarHBondContact OE1-N 2.94Å
504	Q	87.8	Confident	88.2	Confident	32 Å²	32	59.3 Å²	59.3	15%	0.15	29%	0.293	C	S	.	.			trans	-59.3	143	176.3	-73	-179.3	19.5	0	0	112	V477 D501 M502	V477-Q504 HydrophobicContact CG2-CB 3.96Å; D501-Q504 HydrophobicContact CB-CG 4.06Å; D501-Q504 VanDerWaalsContact O-CG 3.25Å; D501-Q504 WeakPolarHBondContact O-CG 3.22Å; M502-Q504 VanDerWaalsContact C-N 3.34Å
505	R	89.7	Confident	88.5	Confident	126 Å²	126	52.6 Å²	52.6	48%	0.475	27%	0.269	S	S	.	.			trans	-116.9	143.8	-173	-58	-177.4	-173.9	-156.3	4	112.2	R510 T511 K539	R505-R510 VanDerWaalsContact CA-O 3.28Å; R505-R510 WeakPolarHBondContact CA-O 3.33Å; R505-T511 HydrophobicContact CG-CG2 3.84Å; R505-K539 PolarHBondContact NH1-O 2.87Å
506	D	89.5	Confident	88.8	Confident	28 Å²	28	50.4 Å²	50.4	15%	0.15	26%	0.26	C	S	.	.			trans	-79.7	-172.7	171.2	70.7	-1	0	0	0	113.1	V477 L481 D508 S509 R510	V477-D506 HydrophobicContact CG1-CB 4.37Å; L481-D506 HydrophobicContact CD1-CB 3.52Å; D506-D508 PolarHBondContact O-N 3.43Å; D506-D508 WeakPolarHBondContact OD1-CA 3.4Å; D506-D508 PolarHBondContact OD1-N 3.18Å; D506-S509 PolarHBondContact O-N 2.9Å; D506-S509 PolarHBondContact OD1-N 3.39Å; D506-S509 VanDerWaalsContact OD1-N 3.14Å; D506-R510 PolarHBondContact N-O 3.12Å; D506-R510 WeakPolarHBondContact OD1-CB 3.1Å; D506-R510 PolarHBondContact OD1-N 3.13Å; D506-R510 IonicContact OD2-CZ 3.32Å; D506-R510 IonicContact OD2-NE 3.8Å; D506-R510 PolarHBondContact OD2-NE 2.98Å; D506-R510 IonicContact OD2-NH2 3.26Å; D506-R510 PolarHBondContact OD2-NH2 3.19Å
507	Y	85.8	Confident	89.1	Confident	165 Å²	165	48.8 Å²	48.8	65%	0.647	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-30.9	177.7	87.1	-76.1	0	0	0	112.4	S509 R541	Y507-S509 PolarHBondContact O-N 3.48Å; Y507-R541 VanDerWaalsContact O-CZ 3.25Å; Y507-R541 PolarHBondContact O-NH2 2.88Å
508	D	90.3	Very high	89.4	Confident	6 Å²	6	42.3 Å²	42.3	3%	0.032	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	10.8	175.9	-76.5	-27.3	0	0	0	113	D506 R510 R541 W542	D506-D508 PolarHBondContact O-N 3.43Å; D506-D508 WeakPolarHBondContact OD1-CA 3.4Å; D506-D508 PolarHBondContact OD1-N 3.18Å; D508-R510 HydrophobicContact CB-CG 4.19Å; D508-R510 PolarHBondContact O-N 3.23Å; D508-R541 VanDerWaalsContact O-CB 3.24Å; D508-R541 WeakPolarHBondContact O-CB 3.49Å; D508-R541 PolarHBondContact O-N 3.33Å; D508-R541 IonicContact OD1-CZ 2.74Å; D508-R541 VanDerWaalsContact OD1-CZ 3.27Å; D508-R541 IonicContact OD1-NE 3.53Å; D508-R541 IonicContact OD1-NH1 3.49Å; D508-R541 PolarHBondContact OD1-NH1 3.5Å; D508-W542 HydrophobicContact CB-CH2 3.93Å; D508-W542 HydrophobicContact CB-CZ3 3.75Å; D508-W542 WeakPolarHBondContact OD2-CH2 3.27Å
509	S	89.9	Confident	90	Very high	45 Å²	45	43.8 Å²	43.8	32%	0.315	22%	0.215	S	C	.	.			trans	61.2	20.2	-177.6	-56.5	0	0	0	0	114.3	D506 Y507	D506-S509 PolarHBondContact O-N 2.9Å; D506-S509 PolarHBondContact OD1-N 3.39Å; D506-S509 VanDerWaalsContact OD1-N 3.14Å; Y507-S509 PolarHBondContact O-N 3.48Å
510	R	91.1	Very high	90.6	Very high	70 Å²	70	39.3 Å²	39.3	26%	0.264	19%	0.186	S	C	.	.			trans	-86.5	140.1	178	-65.2	-179.9	-58.1	164.8	5.2	110.8	R505 D506 D508 H514 D540	R505-R510 VanDerWaalsContact CA-O 3.28Å; R505-R510 WeakPolarHBondContact CA-O 3.33Å; D506-R510 PolarHBondContact N-O 3.12Å; D506-R510 WeakPolarHBondContact OD1-CB 3.1Å; D506-R510 PolarHBondContact OD1-N 3.13Å; D506-R510 IonicContact OD2-CZ 3.32Å; D506-R510 IonicContact OD2-NE 3.8Å; D506-R510 PolarHBondContact OD2-NE 2.98Å; D506-R510 IonicContact OD2-NH2 3.26Å; D506-R510 PolarHBondContact OD2-NH2 3.19Å; D508-R510 HydrophobicContact CB-CG 4.19Å; D508-R510 PolarHBondContact O-N 3.23Å; R510-H514 HydrophobicContact CB-CB 4Å; R510-H514 HydrophobicContact CG-CB 4.24Å; R510-D540 HydrophobicContact CG-CB 3.88Å
511	T	92.6	Very high	91.2	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.018	19%	0.189	C	C	.	.			trans	-95.5	171.4	173	61	0	0	0	0	110.8	R505 L513 H514 V515 P538	R505-T511 HydrophobicContact CG-CG2 3.84Å; T511-L513 PolarHBondContact O-N 3.26Å; T511-L513 VanDerWaalsContact O-N 3.13Å; T511-L513 PolarHBondContact OG1-N 3.09Å; T511-H514 PolarHBondContact N-ND1 3.28Å; T511-H514 VanDerWaalsContact N-ND1 3.12Å; T511-H514 PolarHBondContact O-N 3.13Å; T511-H514 VanDerWaalsContact O-N 3.09Å; T511-H514 PolarHBondContact OG1-ND1 3.5Å; T511-V515 PolarHBondContact O-N 2.9Å; T511-P538 HydrophobicContact CG2-CB 4.35Å
512	A	93.3	Very high	91.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-56	-29.3	173.5	0	0	0	0	0	112.6	L480 L481 A484 A516 L528	L480-A512 HydrophobicContact CD2-CB 4.49Å; L480-A512 HydrophobicContact CG-CB 4.25Å; L481-A512 HydrophobicContact CD2-CB 4.01Å; A484-A512 HydrophobicContact CB-CB 4.14Å; A512-A516 VanDerWaalsContact O-CB 3.27Å; A512-A516 WeakPolarHBondContact O-CB 3.21Å; A512-A516 PolarHBondContact O-N 3.07Å; A512-L528 HydrophobicContact CB-CD1 3.88Å; A512-L528 HydrophobicContact CB-CD2 4.27Å
513	L	93.6	Very high	91.7	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-69.5	-39.3	177.9	-171.6	62	0	0	0	112.7	T511 A517 V525 L528 L529 N535 P546 L562	T511-L513 PolarHBondContact O-N 3.26Å; T511-L513 VanDerWaalsContact O-N 3.13Å; T511-L513 PolarHBondContact OG1-N 3.09Å; L513-A517 WeakPolarHBondContact O-CB 3.49Å; L513-A517 PolarHBondContact O-N 3.48Å; L513-V525 HydrophobicContact CD1-CB 4.47Å; L513-V525 HydrophobicContact CD1-CG1 4Å; L513-V525 HydrophobicContact CD1-CG2 4.34Å; L513-L528 HydrophobicContact CB-CD1 4.36Å; L513-L528 HydrophobicContact CD1-CB 4.43Å; L513-L528 HydrophobicContact CD1-CD1 4.36Å; L513-L529 HydrophobicContact CD1-CD2 4.4Å; L513-L529 HydrophobicContact CD1-CG 4.26Å; L513-L529 HydrophobicContact CD2-CD2 3.95Å; L513-N535 WeakPolarHBondContact CD2-O 3.37Å; L513-P546 HydrophobicContact CB-CG 4.39Å; L513-P546 HydrophobicContact CD2-CB 4.29Å; L513-P546 HydrophobicContact CD2-CG 3.96Å; L513-P546 HydrophobicContact CG-CB 3.96Å; L513-P546 HydrophobicContact CG-CG 3.94Å; L513-L562 HydrophobicContact CD1-CD2 4.22Å; L513-L562 HydrophobicContact CD2-CD2 4.27Å; L513-L562 HydrophobicContact CG-CD2 4.45Å
514	H	93.3	Very high	91.9	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.2	-52.5	174.7	-68.2	90.5	0	0	0	110.1	R510 T511 A516 A517 A518 P538 D540 E549	R510-H514 HydrophobicContact CB-CB 4Å; R510-H514 HydrophobicContact CG-CB 4.24Å; T511-H514 PolarHBondContact N-ND1 3.28Å; T511-H514 VanDerWaalsContact N-ND1 3.12Å; T511-H514 PolarHBondContact O-N 3.13Å; T511-H514 VanDerWaalsContact O-N 3.09Å; T511-H514 PolarHBondContact OG1-ND1 3.5Å; H514-A516 PolarHBondContact O-N 2.93Å; H514-A517 PolarHBondContact O-N 3.45Å; H514-A518 PolarHBondContact O-N 3.46Å; H514-P538 WeakPolarHBondContact CE1-CG 3.46Å; H514-P538 PolarHBondContact NE2-O 3.37Å; H514-D540 PolarHBondContact NE2-N 2.96Å; H514-E549 IonicContact CD2-OE1 3.85Å; H514-E549 PolarHBondContact CD2-OE1 3.5Å; H514-E549 VanDerWaalsContact CD2-OE1 3.26Å; H514-E549 IonicContact CG-OE1 3.78Å
515	V	93.6	Very high	92.1	Very high	12 Å²	12	37.5 Å²	37.5	7%	0.073	18%	0.177	C	C	.	.	H	α-helix	trans	-61	-44	-178.6	-179.2	0	0	0	0	111.7	L481 A484 T511 A517 A518 E519	L481-V515 HydrophobicContact CB-CG2 4.46Å; L481-V515 HydrophobicContact CD1-CG2 4.46Å; L481-V515 HydrophobicContact CD2-CG2 4.07Å; A484-V515 HydrophobicContact CB-CB 4.46Å; A484-V515 HydrophobicContact CB-CG1 4.45Å; T511-V515 PolarHBondContact O-N 2.9Å; V515-A517 VanDerWaalsContact C-N 3.29Å; V515-A517 PolarHBondContact O-N 3.04Å; V515-A518 PolarHBondContact O-N 3.34Å; V515-E519 WeakPolarHBondContact O-CG 3.49Å; V515-E519 PolarHBondContact O-N 2.89Å
516	A	94.6	Very high	92.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.4	-33.4	176.9	0	0	0	0	0	112.9	A484 A512 H514 G520 H521 V524 V525 L528	A484-A516 HydrophobicContact CB-CB 4.36Å; A512-A516 VanDerWaalsContact O-CB 3.27Å; A512-A516 WeakPolarHBondContact O-CB 3.21Å; A512-A516 PolarHBondContact O-N 3.07Å; H514-A516 PolarHBondContact O-N 2.93Å; A516-G520 PolarHBondContact O-N 3.22Å; A516-G520 VanDerWaalsContact O-N 3.14Å; A516-H521 PolarHBondContact O-N 2.94Å; A516-V524 HydrophobicContact CB-CB 4.08Å; A516-V524 HydrophobicContact CB-CG1 3.48Å; A516-V524 VanDerWaalsContact CB-CG1 3.48Å; A516-V525 HydrophobicContact CB-CG2 3.88Å; A516-L528 HydrophobicContact CB-CD1 4.47Å
517	A	93.6	Very high	92.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-75.2	-35.7	179.3	0	0	0	0	0	112.9	L513 H514 V515 P546 A550 V558 L562	L513-A517 WeakPolarHBondContact O-CB 3.49Å; L513-A517 PolarHBondContact O-N 3.48Å; H514-A517 PolarHBondContact O-N 3.45Å; V515-A517 VanDerWaalsContact C-N 3.29Å; V515-A517 PolarHBondContact O-N 3.04Å; A517-P546 HydrophobicContact CB-CB 4.02Å; A517-P546 WeakPolarHBondContact CB-O 3.19Å; A517-A550 HydrophobicContact CB-CB 4.26Å; A517-V558 HydrophobicContact CB-CG1 3.99Å; A517-L562 HydrophobicContact CB-CD1 4.16Å
518	A	93.1	Very high	92.5	Very high	12 Å²	12	28.9 Å²	28.9	10%	0.099	14%	0.142	C	C	.	.	H	α-helix	trans	-67.1	-36.5	174	0	0	0	0	0	113.3	H514 V515 E549 F553 H555	H514-A518 PolarHBondContact O-N 3.46Å; V515-A518 PolarHBondContact O-N 3.34Å; A518-E549 HydrophobicContact CB-CB 4.47Å; A518-F553 HydrophobicContact CB-CD2 3.7Å; A518-F553 HydrophobicContact CB-CE2 3.65Å; A518-H555 PolarHBondContact O-CD2 3.45Å; A518-H555 VanDerWaalsContact O-CD2 3.26Å; A518-H555 PolarHBondContact O-NE2 3.25Å
519	E	93.6	Very high	92.5	Very high	83 Å²	83	29 Å²	29	39%	0.388	14%	0.143	S	C	.	.	H	α-helix	trans	-85.5	-14.9	179.2	-63.4	-61.9	144.1	0	0	113.5	Y485 V515	Y485-E519 VanDerWaalsContact CD2-CD 3.49Å; Y485-E519 HydrophobicContact CD2-CG 3.68Å; Y485-E519 WeakPolarHBondContact CD2-OE1 3.37Å; Y485-E519 VanDerWaalsContact CE2-CD 3.4Å; Y485-E519 HydrophobicContact CE2-CG 4.13Å; Y485-E519 WeakPolarHBondContact CE2-OE1 3.4Å; V515-E519 WeakPolarHBondContact O-CG 3.49Å; V515-E519 PolarHBondContact O-N 2.89Å
520	G	93.3	Very high	92.4	Very high	15 Å²	15	32 Å²	32	16%	0.155	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	22.3	179	0	0	0	0	0	115.3	A516 A522	A516-G520 PolarHBondContact O-N 3.22Å; A516-G520 VanDerWaalsContact O-N 3.14Å; G520-A522 PolarHBondContact O-N 3.17Å
521	H	94.6	Very high	92.2	Very high	59 Å²	59	31.9 Å²	31.9	27%	0.273	17%	0.166	S	C	.	.			trans	-81.2	82.6	-178.5	-67.1	-52.2	0	0	0	112.2	A484 Y485 A516 E523 V524 V525	A484-H521 PolarHBondContact O-CD2 3Å; A484-H521 VanDerWaalsContact O-CD2 3.26Å; Y485-H521 PolarHBondContact O-CD2 2.83Å; Y485-H521 PolarHBondContact O-NE2 2.87Å; A516-H521 PolarHBondContact O-N 2.94Å; H521-E523 VanDerWaalsContact C-N 3.27Å; H521-E523 PolarHBondContact O-N 3.49Å; H521-V524 HydrophobicContact CB-CB 3.99Å; H521-V524 HydrophobicContact CB-CG2 3.98Å; H521-V524 PolarHBondContact O-N 3.18Å; H521-V524 VanDerWaalsContact O-N 3.07Å; H521-V525 WeakPolarHBondContact O-CG2 3.37Å; H521-V525 PolarHBondContact O-N 3.14Å
522	A	91.6	Very high	91.8	Very high	16 Å²	16	33.4 Å²	33.4	13%	0.132	18%	0.176	C	C	.	.	H	α-helix	trans	-55.6	-34.9	-176.9	0	0	0	0	0	114.5	G520 V525 R526 V558 I561	G520-A522 PolarHBondContact O-N 3.17Å; A522-V525 PolarHBondContact O-N 3.44Å; A522-R526 WeakPolarHBondContact O-CG 3.34Å; A522-R526 PolarHBondContact O-N 3.04Å; A522-V558 HydrophobicContact CB-CG2 4.37Å; A522-I561 HydrophobicContact CB-CD1 3.92Å
523	E	91.6	Very high	91.5	Very high	145 Å²	145	41.9 Å²	41.9	68%	0.678	21%	0.213	S	C	*	.	H	α-helix	trans	-68	-38.6	177.5	-64.1	-168.4	168.9	0	0	112.7	V489 H521 F527	V489-E523 HydrophobicContact CG2-CB 3.96Å; H521-E523 VanDerWaalsContact C-N 3.27Å; H521-E523 PolarHBondContact O-N 3.49Å; E523-F527 WeakPolarHBondContact O-CB 3.44Å; E523-F527 PolarHBondContact O-N 3.37Å
524	V	93.3	Very high	91.2	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-67.4	-43.9	175.9	171.3	0	0	0	0	110.2	A484 V489 L492 A516 H521 R526 F527 L528	A484-V524 HydrophobicContact CB-CG1 4.31Å; V489-V524 HydrophobicContact CG2-CG2 3.78Å; L492-V524 HydrophobicContact CD1-CB 4.17Å; L492-V524 HydrophobicContact CD1-CG1 3.35Å; L492-V524 HydrophobicContact CD1-CG2 3.91Å; A516-V524 HydrophobicContact CB-CB 4.08Å; A516-V524 HydrophobicContact CB-CG1 3.48Å; A516-V524 VanDerWaalsContact CB-CG1 3.48Å; H521-V524 HydrophobicContact CB-CB 3.99Å; H521-V524 HydrophobicContact CB-CG2 3.98Å; H521-V524 PolarHBondContact O-N 3.18Å; H521-V524 VanDerWaalsContact O-N 3.07Å; V524-R526 PolarHBondContact O-N 3.34Å; V524-F527 PolarHBondContact O-N 3.46Å; V524-L528 HydrophobicContact CG1-CD1 3.82Å; V524-L528 HydrophobicContact CG1-CG 4.28Å; V524-L528 WeakPolarHBondContact O-CG 3.26Å; V524-L528 PolarHBondContact O-N 2.83Å
525	V	92.2	Very high	90.9	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.8	-46.1	177.9	173.9	0	0	0	0	110.8	L513 A516 H521 A522 F527 L528 L529 V558 I561 L562	L513-V525 HydrophobicContact CD1-CB 4.47Å; L513-V525 HydrophobicContact CD1-CG1 4Å; L513-V525 HydrophobicContact CD1-CG2 4.34Å; A516-V525 HydrophobicContact CB-CG2 3.88Å; H521-V525 WeakPolarHBondContact O-CG2 3.37Å; H521-V525 PolarHBondContact O-N 3.14Å; A522-V525 PolarHBondContact O-N 3.44Å; V525-F527 PolarHBondContact O-N 3.41Å; V525-L528 PolarHBondContact O-N 2.66Å; V525-L529 HydrophobicContact CG1-CD1 3.69Å; V525-L529 HydrophobicContact CG1-CG 4.46Å; V525-L529 WeakPolarHBondContact O-CB 3.43Å; V525-L529 WeakPolarHBondContact O-CG 3.42Å; V525-L529 PolarHBondContact O-N 3.27Å; V525-V558 HydrophobicContact CG1-CG1 4.31Å; V525-V558 HydrophobicContact CG2-CG1 3.95Å; V525-V558 HydrophobicContact CG2-CG2 4.35Å; V525-I561 HydrophobicContact CG1-CG2 4Å; V525-L562 HydrophobicContact CG1-CD2 4.26Å; V525-L562 HydrophobicContact CG1-CG 4.41Å
526	R	91.1	Very high	90.6	Very high	110 Å²	110	44 Å²	44	42%	0.415	22%	0.224	S	C	.	.	H	α-helix	trans	-59	-47	173.3	-74.7	-177.2	-128.9	-84.7	-1	111.6	A522 V524 L528 L529 E530 I561	A522-R526 WeakPolarHBondContact O-CG 3.34Å; A522-R526 PolarHBondContact O-N 3.04Å; V524-R526 PolarHBondContact O-N 3.34Å; R526-L528 VanDerWaalsContact C-N 3.33Å; R526-L528 PolarHBondContact O-N 3.42Å; R526-L529 PolarHBondContact O-N 2.81Å; R526-E530 WeakPolarHBondContact O-CB 3.45Å; R526-E530 PolarHBondContact O-N 3.34Å; R526-I561 HydrophobicContact CG-CD1 4.18Å; R526-I561 HydrophobicContact CG-CG2 4.38Å; R526-I561 VanDerWaalsContact CZ-CD1 3.44Å
527	F	92.3	Very high	90.3	Very high	27 Å²	27	46.4 Å²	46.4	12%	0.118	24%	0.239	C	C	.	.	I	π-helix	trans	-59	-42.6	178.9	176.4	-102	0	0	0	112.7	V489 L492 R493 A496 M502 E523 V524 V525 A531 C532	V489-F527 HydrophobicContact CG1-CB 4.38Å; V489-F527 HydrophobicContact CG1-CG 4.32Å; L492-F527 HydrophobicContact CB-CD1 3.89Å; L492-F527 HydrophobicContact CB-CE1 3.68Å; L492-F527 HydrophobicContact CD1-CD1 4.48Å; R493-F527 HydrophobicContact CB-CE2 4.46Å; R493-F527 HydrophobicContact CB-CZ 4.32Å; R493-F527 HydrophobicContact CG-CD2 4.09Å; R493-F527 HydrophobicContact CG-CE2 3.47Å; R493-F527 VanDerWaalsContact CG-CE2 3.47Å; R493-F527 HydrophobicContact CG-CZ 3.75Å; A496-F527 HydrophobicContact CB-CE1 4.3Å; A496-F527 HydrophobicContact CB-CZ 3.82Å; M502-F527 HydrophobicContact CE-CE1 4.16Å; E523-F527 WeakPolarHBondContact O-CB 3.44Å; E523-F527 PolarHBondContact O-N 3.37Å; V524-F527 PolarHBondContact O-N 3.46Å; V525-F527 PolarHBondContact O-N 3.41Å; F527-A531 HydrophobicContact CD2-CB 3.79Å; F527-A531 HydrophobicContact CE2-CB 3.76Å; F527-A531 WeakPolarHBondContact O-CA 3.47Å; F527-A531 VanDerWaalsContact O-CB 3.27Å; F527-A531 WeakPolarHBondContact O-CB 3.43Å; F527-A531 PolarHBondContact O-N 3.03Å; F527-A531 VanDerWaalsContact O-N 3.07Å; F527-C532 WeakPolarHBondContact CE1-SG 3.2Å; F527-C532 PolarHBondContact O-N 3.12Å
528	L	90.9	Very high	90.1	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	24%	0.24	C	C	.	.	I	π-helix	trans	-69	-39.4	179.8	-69.1	171.4	0	0	0	112.7	M502 A512 L513 A516 V524 V525 R526 C532 K533 V534	M502-L528 HydrophobicContact CE-CD2 3.62Å; A512-L528 HydrophobicContact CB-CD1 3.88Å; A512-L528 HydrophobicContact CB-CD2 4.27Å; L513-L528 HydrophobicContact CB-CD1 4.36Å; L513-L528 HydrophobicContact CD1-CB 4.43Å; L513-L528 HydrophobicContact CD1-CD1 4.36Å; A516-L528 HydrophobicContact CB-CD1 4.47Å; V524-L528 HydrophobicContact CG1-CD1 3.82Å; V524-L528 HydrophobicContact CG1-CG 4.28Å; V524-L528 WeakPolarHBondContact O-CG 3.26Å; V524-L528 PolarHBondContact O-N 2.83Å; V525-L528 PolarHBondContact O-N 2.66Å; R526-L528 VanDerWaalsContact C-N 3.33Å; R526-L528 PolarHBondContact O-N 3.42Å; L528-C532 CarbonylContact O-C 3.45Å; L528-C532 WeakPolarHBondContact O-CB 3.24Å; L528-K533 PolarHBondContact O-N 2.86Å; L528-K533 VanDerWaalsContact O-N 3.12Å; L528-V534 HydrophobicContact CB-CG2 4.46Å; L528-V534 HydrophobicContact CD2-CG2 4.44Å; L528-V534 PolarHBondContact O-N 3.18Å; L528-V534 VanDerWaalsContact O-N 3.13Å
529	L	89.6	Confident	90	Very high	10 Å²	10	52.3 Å²	52.3	5%	0.052	26%	0.263	C	S	.	.	I	π-helix	trans	-80.9	-45	-178.5	-66.4	171.1	0	0	0	112.8	L513 V525 R526 K533 P536 I561 L562 Y565	L513-L529 HydrophobicContact CD1-CD2 4.4Å; L513-L529 HydrophobicContact CD1-CG 4.26Å; L513-L529 HydrophobicContact CD2-CD2 3.95Å; V525-L529 HydrophobicContact CG1-CD1 3.69Å; V525-L529 HydrophobicContact CG1-CG 4.46Å; V525-L529 WeakPolarHBondContact O-CB 3.43Å; V525-L529 WeakPolarHBondContact O-CG 3.42Å; V525-L529 PolarHBondContact O-N 3.27Å; R526-L529 PolarHBondContact O-N 2.81Å; L529-K533 WeakPolarHBondContact O-CA 3.34Å; L529-P536 HydrophobicContact CD2-CB 3.95Å; L529-I561 HydrophobicContact CD1-CG2 4.04Å; L529-L562 HydrophobicContact CD1-CD2 3.96Å; L529-Y565 HydrophobicContact CB-CD1 4.1Å; L529-Y565 HydrophobicContact CB-CD2 4.32Å; L529-Y565 HydrophobicContact CB-CE1 4.22Å; L529-Y565 HydrophobicContact CB-CE2 4.44Å; L529-Y565 HydrophobicContact CB-CG 4.18Å; L529-Y565 HydrophobicContact CD1-CD2 3.84Å; L529-Y565 HydrophobicContact CD1-CG 3.95Å; L529-Y565 HydrophobicContact CG-CG 4.5Å
530	E	87.6	Confident	89.9	Confident	108 Å²	108	49 Å²	49	51%	0.505	25%	0.248	S	C	.	.	I	π-helix	trans	-79	-52.1	-177.1	-71.4	171.2	-158.4	0	0	112.3	R526 Y565	R526-E530 WeakPolarHBondContact O-CB 3.45Å; R526-E530 PolarHBondContact O-N 3.34Å; E530-Y565 HydrophobicContact CG-CE1 4.46Å; E530-Y565 HydrophobicContact CG-CE2 4.5Å; E530-Y565 WeakPolarHBondContact CG-OH 3.36Å; E530-Y565 PolarHBondContact OE1-OH 2.88Å
531	A	86.1	Confident	89.8	Confident	67 Å²	67	54.8 Å²	54.8	55%	0.554	27%	0.265	S	S	*	.	I	π-helix	trans	-89	-39.2	-171.1	0	0	0	0	0	112.4	F527	F527-A531 HydrophobicContact CD2-CB 3.79Å; F527-A531 HydrophobicContact CE2-CB 3.76Å; F527-A531 WeakPolarHBondContact O-CA 3.47Å; F527-A531 VanDerWaalsContact O-CB 3.27Å; F527-A531 WeakPolarHBondContact O-CB 3.43Å; F527-A531 PolarHBondContact O-N 3.03Å; F527-A531 VanDerWaalsContact O-N 3.07Å
532	C	84.4	Confident	89.6	Confident	34 Å²	34	59.3 Å²	59.3	23%	0.23	28%	0.28	C	S	.	.	S	Bend	trans	-95.4	-11.1	-178	-55.8	0	0	0	0	113.8	M502 F527 L528 V534	M502-C532 HydrophobicContact CB-CB 4.33Å; M502-C532 HydrophobicContact CG-CB 4.12Å; F527-C532 WeakPolarHBondContact CE1-SG 3.2Å; F527-C532 PolarHBondContact O-N 3.12Å; L528-C532 CarbonylContact O-C 3.45Å; L528-C532 WeakPolarHBondContact O-CB 3.24Å; C532-V534 HydrophobicContact CB-CG2 3.92Å; C532-V534 PolarHBondContact O-N 3.07Å
533	K	87.1	Confident	89.4	Confident	179 Å²	179	60.4 Å²	60.4	78%	0.778	29%	0.293	S	S	*	.			trans	50.5	39.5	-179	-59.9	-173.4	177.6	-176.4	0	114	L528 L529	L528-K533 PolarHBondContact O-N 2.86Å; L528-K533 VanDerWaalsContact O-N 3.12Å; L529-K533 WeakPolarHBondContact O-CA 3.34Å
534	V	88.3	Confident	89.4	Confident	7 Å²	7	56.8 Å²	56.8	4%	0.042	28%	0.278	C	S	.	.			trans	-66.6	146.2	177.4	174.4	0	0	0	0	110.2	M502 E503 L528 C532	M502-V534 HydrophobicContact CB-CG2 3.86Å; E503-V534 HydrophobicContact CG-CG1 4.15Å; E503-V534 HydrophobicContact CG-CG2 4.38Å; L528-V534 HydrophobicContact CB-CG2 4.46Å; L528-V534 HydrophobicContact CD2-CG2 4.44Å; L528-V534 PolarHBondContact O-N 3.18Å; L528-V534 VanDerWaalsContact O-N 3.13Å; C532-V534 HydrophobicContact CB-CG2 3.92Å; C532-V534 PolarHBondContact O-N 3.07Å
535	N	86.8	Confident	89.4	Confident	38 Å²	38	58 Å²	58	20%	0.203	29%	0.285	C	S	.	.			trans	-53.7	127	173.9	-177.3	-8.5	0	0	0	110.6	E503 L513 V537 P538	E503-N535 VanDerWaalsContact OE1-CB 3.23Å; E503-N535 WeakPolarHBondContact OE1-CB 3.36Å; E503-N535 PolarHBondContact OE1-N 2.94Å; L513-N535 WeakPolarHBondContact CD2-O 3.37Å; N535-V537 WeakPolarHBondContact OD1-CG2 3.27Å; N535-V537 PolarHBondContact OD1-N 3Å; N535-P538 WeakPolarHBondContact O-CD 3.35Å
536	P	86.1	Confident	89.4	Confident	11 Å²	11	58 Å²	58	7%	0.071	29%	0.285	C	S	.	.	S	Bend	trans	-80.6	-14.4	179.4	30.9	-34.2	0	0	0	113.8	L529 P538 Y569	L529-P536 HydrophobicContact CD2-CB 3.95Å; P536-P538 WeakPolarHBondContact O-CD 3.47Å; P536-Y569 VanDerWaalsContact CD-CD2 3.45Å; P536-Y569 HydrophobicContact CG-CD1 3.94Å; P536-Y569 HydrophobicContact CG-CD2 3.72Å; P536-Y569 HydrophobicContact CG-CE1 4.49Å; P536-Y569 HydrophobicContact CG-CE2 4.3Å; P536-Y569 HydrophobicContact CG-CG 3.51Å
537	V	88.3	Confident	89.4	Confident	51 Å²	51	55 Å²	55	31%	0.309	28%	0.277	S	S	.	.			trans	-120.2	43.1	-177.5	-64.8	0	0	0	0	114.9	N535 H566 Y569	N535-V537 WeakPolarHBondContact OD1-CG2 3.27Å; N535-V537 PolarHBondContact OD1-N 3Å; V537-H566 WeakPolarHBondContact CG1-ND1 3.49Å; V537-Y569 HydrophobicContact CG2-CD1 4.33Å; V537-Y569 HydrophobicContact CG2-CE1 4.08Å
538	P	89.8	Confident	89.4	Confident	5 Å²	5	57.3 Å²	57.3	3%	0.032	29%	0.29	C	S	.	.			trans	-68.9	153	171	34.3	-35.2	0	0	0	108.9	T511 H514 N535 P536 T545 P546	T511-P538 HydrophobicContact CG2-CB 4.35Å; H514-P538 WeakPolarHBondContact CE1-CG 3.46Å; H514-P538 PolarHBondContact NE2-O 3.37Å; N535-P538 WeakPolarHBondContact O-CD 3.35Å; P536-P538 WeakPolarHBondContact O-CD 3.47Å; P538-T545 WeakPolarHBondContact O-CA 3.5Å; P538-P546 HydrophobicContact CG-CG 3.7Å; P538-P546 WeakPolarHBondContact O-CD 3.32Å
539	K	90.7	Very high	89.4	Confident	132 Å²	132	58 Å²	58	57%	0.574	29%	0.294	S	S	*	.			trans	-110.4	134.9	173.4	-67.1	-175.1	176.5	-173.9	0	109.6	R505 N544 T545	R505-K539 PolarHBondContact NH1-O 2.87Å; K539-N544 WeakPolarHBondContact CA-O 3.14Å; K539-T545 HydrophobicContact CG-CG2 4.45Å
540	D	91.4	Very high	89.6	Confident	12 Å²	12	57.5 Å²	57.5	6%	0.064	29%	0.291	C	S	.	.			trans	-77	-175.6	169.9	73.5	2.2	0	0	0	111.7	R510 H514 W542 G543 N544	R510-D540 HydrophobicContact CG-CB 3.88Å; H514-D540 PolarHBondContact NE2-N 2.96Å; D540-W542 HydrophobicContact CB-CE3 4.49Å; D540-W542 PolarHBondContact O-N 3Å; D540-W542 VanDerWaalsContact OD1-C 3.26Å; D540-W542 WeakPolarHBondContact OD1-CA 3.33Å; D540-W542 PolarHBondContact OD1-N 2.98Å; D540-G543 PolarHBondContact O-N 3.21Å; D540-G543 PolarHBondContact OD1-N 2.89Å; D540-N544 PolarHBondContact N-O 3.11Å; D540-N544 VanDerWaalsContact N-O 3.07Å; D540-N544 PolarHBondContact OD1-N 2.91Å; D540-N544 PolarHBondContact OD2-ND2 3.46Å
541	R	91.9	Very high	89.8	Confident	138 Å²	138	56.7 Å²	56.7	52%	0.521	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-27	175.1	177.1	-176.4	-74.3	-179.3	-13.2	113.6	Y507 D508	Y507-R541 VanDerWaalsContact O-CZ 3.25Å; Y507-R541 PolarHBondContact O-NH2 2.88Å; D508-R541 VanDerWaalsContact O-CB 3.24Å; D508-R541 WeakPolarHBondContact O-CB 3.49Å; D508-R541 PolarHBondContact O-N 3.33Å; D508-R541 IonicContact OD1-CZ 2.74Å; D508-R541 VanDerWaalsContact OD1-CZ 3.27Å; D508-R541 IonicContact OD1-NE 3.53Å; D508-R541 IonicContact OD1-NH1 3.49Å; D508-R541 PolarHBondContact OD1-NH1 3.5Å
542	W	89.9	Confident	90	Very high	153 Å²	153	60.8 Å²	60.8	58%	0.58	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-1.3	-178.3	-63.2	-82.3	0	0	0	113	D508 D540 N544	D508-W542 HydrophobicContact CB-CH2 3.93Å; D508-W542 HydrophobicContact CB-CZ3 3.75Å; D508-W542 WeakPolarHBondContact OD2-CH2 3.27Å; D540-W542 HydrophobicContact CB-CE3 4.49Å; D540-W542 PolarHBondContact O-N 3Å; D540-W542 VanDerWaalsContact OD1-C 3.26Å; D540-W542 WeakPolarHBondContact OD1-CA 3.33Å; D540-W542 PolarHBondContact OD1-N 2.98Å; W542-N544 VanDerWaalsContact C-N 3.3Å
543	G	88.9	Confident	90.3	Very high	40 Å²	40	64.9 Å²	64.9	41%	0.412	31%	0.314	S	S	.	.	S	Bend	trans	81.8	7.3	-178.7	0	0	0	0	0	114	D540	D540-G543 PolarHBondContact O-N 3.21Å; D540-G543 PolarHBondContact OD1-N 2.89Å
544	N	91.6	Very high	90.6	Very high	68 Å²	68	58.1 Å²	58.1	36%	0.364	30%	0.296	S	S	.	.			trans	-80.3	144.8	176.9	-55.7	-44.7	0	0	0	110.1	K539 D540 W542 D548 E549	K539-N544 WeakPolarHBondContact CA-O 3.14Å; D540-N544 PolarHBondContact N-O 3.11Å; D540-N544 VanDerWaalsContact N-O 3.07Å; D540-N544 PolarHBondContact OD1-N 2.91Å; D540-N544 PolarHBondContact OD2-ND2 3.46Å; W542-N544 VanDerWaalsContact C-N 3.3Å; N544-D548 HydrophobicContact CB-CB 4.15Å; N544-E549 HydrophobicContact CB-CG 4.44Å
545	T	92.3	Very high	90.8	Very high	26 Å²	26	60.3 Å²	60.3	16%	0.16	31%	0.305	C	S	.	.			trans	-93.2	164.2	169.7	66.2	0	0	0	0	110.7	P538 K539 M547 D548 E549	P538-T545 WeakPolarHBondContact O-CA 3.5Å; K539-T545 HydrophobicContact CG-CG2 4.45Å; T545-M547 PolarHBondContact O-N 3.07Å; T545-M547 VanDerWaalsContact O-N 3.11Å; T545-D548 WeakPolarHBondContact CB-OD2 3.49Å; T545-D548 PolarHBondContact N-OD2 3.45Å; T545-D548 WeakPolarHBondContact O-CB 3.47Å; T545-D548 PolarHBondContact O-N 3.19Å; T545-D548 PolarHBondContact OG1-N 3.37Å; T545-D548 PolarHBondContact OG1-OD2 3.12Å; T545-E549 PolarHBondContact O-N 3.12Å
546	P	92.8	Very high	90.9	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-55.1	-30.1	172.7	-26.3	34.2	0	0	0	113.1	L513 A517 P538 A550 L562	L513-P546 HydrophobicContact CB-CG 4.39Å; L513-P546 HydrophobicContact CD2-CB 4.29Å; L513-P546 HydrophobicContact CD2-CG 3.96Å; L513-P546 HydrophobicContact CG-CB 3.96Å; L513-P546 HydrophobicContact CG-CG 3.94Å; A517-P546 HydrophobicContact CB-CB 4.02Å; A517-P546 WeakPolarHBondContact CB-O 3.19Å; P538-P546 HydrophobicContact CG-CG 3.7Å; P538-P546 WeakPolarHBondContact O-CD 3.32Å; P546-A550 WeakPolarHBondContact O-CB 3.16Å; P546-A550 PolarHBondContact O-N 3.42Å; P546-L562 HydrophobicContact CB-CD1 4.15Å; P546-L562 HydrophobicContact CB-CD2 4.45Å
547	M	91.1	Very high	91.1	Very high	48 Å²	48	68.9 Å²	68.9	24%	0.236	35%	0.346	C	S	.	.	H	α-helix	trans	-70.1	-40.9	175.7	-174.6	175.3	176.8	0	0	111.5	T545 E549 A550 V551 V559 L562 R563	T545-M547 PolarHBondContact O-N 3.07Å; T545-M547 VanDerWaalsContact O-N 3.11Å; M547-E549 VanDerWaalsContact C-N 3.34Å; M547-A550 PolarHBondContact O-N 2.96Å; M547-V551 VanDerWaalsContact O-CG2 3.3Å; M547-V551 WeakPolarHBondContact O-CG2 3.44Å; M547-V551 PolarHBondContact O-N 3.44Å; M547-V559 HydrophobicContact CE-CG1 4.03Å; M547-L562 HydrophobicContact CB-CB 4.42Å; M547-L562 HydrophobicContact CB-CD1 4.25Å; M547-R563 HydrophobicContact CE-CB 4.3Å
548	D	91.6	Very high	91.2	Very high	76 Å²	76	66.5 Å²	66.5	41%	0.406	33%	0.331	S	S	.	.	H	α-helix	trans	-64.7	-40.1	175.9	-57.6	-46.9	0	0	0	111	N544 T545 V551 H552	N544-D548 HydrophobicContact CB-CB 4.15Å; T545-D548 WeakPolarHBondContact CB-OD2 3.49Å; T545-D548 PolarHBondContact N-OD2 3.45Å; T545-D548 WeakPolarHBondContact O-CB 3.47Å; T545-D548 PolarHBondContact O-N 3.19Å; T545-D548 PolarHBondContact OG1-N 3.37Å; T545-D548 PolarHBondContact OG1-OD2 3.12Å; D548-V551 PolarHBondContact O-N 3.18Å; D548-H552 WeakPolarHBondContact O-CB 3.27Å; D548-H552 PolarHBondContact O-N 3.37Å
549	E	91.1	Very high	91.2	Very high	15 Å²	15	66.8 Å²	66.8	7%	0.07	33%	0.333	C	S	.	.	H	α-helix	trans	-62	-47.9	173.7	-70	-169.3	-158.3	0	0	111.4	H514 A518 N544 T545 M547 V551 H552 F553	H514-E549 IonicContact CD2-OE1 3.85Å; H514-E549 PolarHBondContact CD2-OE1 3.5Å; H514-E549 VanDerWaalsContact CD2-OE1 3.26Å; H514-E549 IonicContact CG-OE1 3.78Å; A518-E549 HydrophobicContact CB-CB 4.47Å; N544-E549 HydrophobicContact CB-CG 4.44Å; T545-E549 PolarHBondContact O-N 3.12Å; M547-E549 VanDerWaalsContact C-N 3.34Å; E549-V551 VanDerWaalsContact C-N 3.29Å; E549-V551 PolarHBondContact O-N 3.28Å; E549-H552 WeakPolarHBondContact O-CB 3.42Å; E549-H552 PolarHBondContact O-N 2.97Å; E549-H552 VanDerWaalsContact O-N 3.11Å; E549-F553 WeakPolarHBondContact O-CD2 3.42Å; E549-F553 PolarHBondContact O-N 3.23Å
550	A	92.8	Very high	91.2	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-61.2	-36.5	177.6	0	0	0	0	0	112.7	A517 P546 M547 G554 H555 V558 V559 L562	A517-A550 HydrophobicContact CB-CB 4.26Å; P546-A550 WeakPolarHBondContact O-CB 3.16Å; P546-A550 PolarHBondContact O-N 3.42Å; M547-A550 PolarHBondContact O-N 2.96Å; A550-G554 PolarHBondContact O-N 3.45Å; A550-H555 PolarHBondContact O-N 2.86Å; A550-V558 HydrophobicContact CB-CB 4.31Å; A550-V558 HydrophobicContact CB-CG1 3.96Å; A550-V559 HydrophobicContact CB-CG2 3.62Å; A550-L562 HydrophobicContact CB-CD1 4.33Å
551	V	92.1	Very high	91.1	Very high	90 Å²	90	64 Å²	64	55%	0.545	33%	0.326	S	S	.	.	H	α-helix	trans	-68.3	-42	173.7	171.7	0	0	0	0	111	M547 D548 E549 F553 G554 V559	M547-V551 VanDerWaalsContact O-CG2 3.3Å; M547-V551 WeakPolarHBondContact O-CG2 3.44Å; M547-V551 PolarHBondContact O-N 3.44Å; D548-V551 PolarHBondContact O-N 3.18Å; E549-V551 VanDerWaalsContact C-N 3.29Å; E549-V551 PolarHBondContact O-N 3.28Å; V551-F553 VanDerWaalsContact C-N 3.34Å; V551-F553 PolarHBondContact O-N 3.44Å; V551-G554 PolarHBondContact O-N 3.26Å; V551-V559 HydrophobicContact CG2-CG1 4.24Å; V551-V559 HydrophobicContact CG2-CG2 3.68Å
552	H	91.2	Very high	90.9	Very high	154 Å²	154	57.5 Å²	57.5	71%	0.713	30%	0.302	S	S	*	.	H	α-helix	trans	-62	-41.1	-179.3	-170.2	71.8	0	0	0	112.4	D548 E549	D548-H552 WeakPolarHBondContact O-CB 3.27Å; D548-H552 PolarHBondContact O-N 3.37Å; E549-H552 WeakPolarHBondContact O-CB 3.42Å; E549-H552 PolarHBondContact O-N 2.97Å; E549-H552 VanDerWaalsContact O-N 3.11Å
553	F	91.4	Very high	90.7	Very high	119 Å²	119	56.6 Å²	56.6	52%	0.522	30%	0.299	S	S	.	.	H	α-helix	trans	-89	-6.5	178.2	-63.5	-69.6	0	0	0	113.9	A518 E549 V551	A518-F553 HydrophobicContact CB-CD2 3.7Å; A518-F553 HydrophobicContact CB-CE2 3.65Å; E549-F553 WeakPolarHBondContact O-CD2 3.42Å; E549-F553 PolarHBondContact O-N 3.23Å; V551-F553 VanDerWaalsContact C-N 3.34Å; V551-F553 PolarHBondContact O-N 3.44Å
554	G	91.8	Very high	90.5	Very high	37 Å²	37	58.9 Å²	58.9	38%	0.381	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	22.4	171.4	0	0	0	0	0	115.9	A550 V551 H556	A550-G554 PolarHBondContact O-N 3.45Å; V551-G554 PolarHBondContact O-N 3.26Å; G554-H556 PolarHBondContact O-N 2.95Å; G554-H556 PolarHBondContact O-ND1 3.24Å
555	H	93.4	Very high	90.1	Very high	53 Å²	53	58.5 Å²	58.5	25%	0.245	30%	0.295	C	S	.	.			trans	-87.3	81.9	-178	-60.8	-59.7	0	0	0	112.4	A518 A550 D557 V558 V559	A518-H555 PolarHBondContact O-CD2 3.45Å; A518-H555 VanDerWaalsContact O-CD2 3.26Å; A518-H555 PolarHBondContact O-NE2 3.25Å; A550-H555 PolarHBondContact O-N 2.86Å; H555-D557 VanDerWaalsContact C-N 3.31Å; H555-D557 PolarHBondContact O-N 2.94Å; H555-V558 HydrophobicContact CB-CB 4.27Å; H555-V558 HydrophobicContact CB-CG2 4.41Å; H555-V558 PolarHBondContact O-N 2.84Å; H555-V559 VanDerWaalsContact O-CG2 3.31Å; H555-V559 WeakPolarHBondContact O-CG2 3.17Å; H555-V559 PolarHBondContact O-N 3.46Å
556	H	89.6	Confident	89.4	Confident	152 Å²	152	62.1 Å²	62.1	70%	0.704	31%	0.31	S	S	*	.	H	α-helix	trans	-63.9	-30.9	-173.3	-66.7	74.5	0	0	0	114.2	G554 T560	G554-H556 PolarHBondContact O-N 2.95Å; G554-H556 PolarHBondContact O-ND1 3.24Å; H556-T560 PolarHBondContact O-N 3.39Å; H556-T560 VanDerWaalsContact O-N 3.12Å; H556-T560 PolarHBondContact O-OG1 3.06Å
557	D	89.6	Confident	88.6	Confident	78 Å²	78	67.6 Å²	67.6	42%	0.417	34%	0.344	S	S	.	.	H	α-helix	trans	-66.2	-46.1	176.5	59	-29.1	0	0	0	111.6	H555 T560 I561	H555-D557 VanDerWaalsContact C-N 3.31Å; H555-D557 PolarHBondContact O-N 2.94Å; D557-T560 PolarHBondContact O-N 3.22Å; D557-I561 WeakPolarHBondContact O-CG1 3.37Å; D557-I561 PolarHBondContact O-N 3.26Å
558	V	90.8	Very high	87.5	Confident	0 Å²	0	72 Å²	72	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-67	-40.4	175	174.8	0	0	0	0	111.7	A517 A522 V525 A550 H555 T560 I561 L562	A517-V558 HydrophobicContact CB-CG1 3.99Å; A522-V558 HydrophobicContact CB-CG2 4.37Å; V525-V558 HydrophobicContact CG1-CG1 4.31Å; V525-V558 HydrophobicContact CG2-CG1 3.95Å; V525-V558 HydrophobicContact CG2-CG2 4.35Å; A550-V558 HydrophobicContact CB-CB 4.31Å; A550-V558 HydrophobicContact CB-CG1 3.96Å; H555-V558 HydrophobicContact CB-CB 4.27Å; H555-V558 HydrophobicContact CB-CG2 4.41Å; H555-V558 PolarHBondContact O-N 2.84Å; V558-T560 PolarHBondContact O-N 3.15Å; V558-I561 PolarHBondContact O-N 3.48Å; V558-L562 HydrophobicContact CG1-CD1 3.67Å; V558-L562 HydrophobicContact CG1-CG 4.12Å; V558-L562 WeakPolarHBondContact O-CG 3.39Å; V558-L562 PolarHBondContact O-N 3.42Å
559	V	89.8	Confident	86.3	Confident	12 Å²	12	72 Å²	72	7%	0.073	36%	0.359	C	S	.	.	H	α-helix	trans	-59	-38.2	176.5	171.9	0	0	0	0	111.6	M547 A550 V551 H555 R563	M547-V559 HydrophobicContact CE-CG1 4.03Å; A550-V559 HydrophobicContact CB-CG2 3.62Å; V551-V559 HydrophobicContact CG2-CG1 4.24Å; V551-V559 HydrophobicContact CG2-CG2 3.68Å; H555-V559 VanDerWaalsContact O-CG2 3.31Å; H555-V559 WeakPolarHBondContact O-CG2 3.17Å; H555-V559 PolarHBondContact O-N 3.46Å; V559-R563 VanDerWaalsContact O-CB 3.27Å; V559-R563 WeakPolarHBondContact O-CB 3.46Å; V559-R563 PolarHBondContact O-N 3.45Å
560	T	89.8	Confident	84.8	Confident	75 Å²	75	74.4 Å²	74.4	46%	0.46	38%	0.377	S	S	.	.	H	α-helix	trans	-64.6	-48.2	177.7	-53.7	0	0	0	0	110.5	H556 D557 V558 L562 R563 D564	H556-T560 PolarHBondContact O-N 3.39Å; H556-T560 VanDerWaalsContact O-N 3.12Å; H556-T560 PolarHBondContact O-OG1 3.06Å; D557-T560 PolarHBondContact O-N 3.22Å; V558-T560 PolarHBondContact O-N 3.15Å; T560-L562 PolarHBondContact O-N 3.49Å; T560-R563 PolarHBondContact O-N 2.97Å; T560-D564 VanDerWaalsContact O-CG 3.27Å; T560-D564 PolarHBondContact O-N 3.36Å
561	I	88.9	Confident	82.9	Confident	9 Å²	9	79.3 Å²	79.3	5%	0.046	41%	0.409	C	S	.	.	H	α-helix	trans	-59.2	-49.9	177.4	-59.9	162.7	0	0	0	110.4	A522 V525 R526 L529 D557 V558 R563 D564 Y565	A522-I561 HydrophobicContact CB-CD1 3.92Å; V525-I561 HydrophobicContact CG1-CG2 4Å; R526-I561 HydrophobicContact CG-CD1 4.18Å; R526-I561 HydrophobicContact CG-CG2 4.38Å; R526-I561 VanDerWaalsContact CZ-CD1 3.44Å; L529-I561 HydrophobicContact CD1-CG2 4.04Å; D557-I561 WeakPolarHBondContact O-CG1 3.37Å; D557-I561 PolarHBondContact O-N 3.26Å; V558-I561 PolarHBondContact O-N 3.48Å; I561-R563 VanDerWaalsContact C-N 3.31Å; I561-R563 PolarHBondContact O-N 3.28Å; I561-D564 PolarHBondContact O-N 3.32Å; I561-Y565 HydrophobicContact CG2-CD2 4.02Å; I561-Y565 HydrophobicContact CG2-CE2 4.2Å; I561-Y565 WeakPolarHBondContact O-CD2 3.31Å; I561-Y565 PolarHBondContact O-N 3.21Å; I561-Y565 VanDerWaalsContact O-N 3.12Å
562	L	87.4	Confident	80.8	Confident	3 Å²	3	83 Å²	83	2%	0.016	42%	0.421	C	S	.	.	H	α-helix	trans	-62.6	-36.8	-179.2	-72	170.7	0	0	0	112.5	L513 A517 V525 L529 P546 M547 A550 V558 T560 Y565 H566	L513-L562 HydrophobicContact CD1-CD2 4.22Å; L513-L562 HydrophobicContact CD2-CD2 4.27Å; L513-L562 HydrophobicContact CG-CD2 4.45Å; A517-L562 HydrophobicContact CB-CD1 4.16Å; V525-L562 HydrophobicContact CG1-CD2 4.26Å; V525-L562 HydrophobicContact CG1-CG 4.41Å; L529-L562 HydrophobicContact CD1-CD2 3.96Å; P546-L562 HydrophobicContact CB-CD1 4.15Å; P546-L562 HydrophobicContact CB-CD2 4.45Å; M547-L562 HydrophobicContact CB-CB 4.42Å; M547-L562 HydrophobicContact CB-CD1 4.25Å; A550-L562 HydrophobicContact CB-CD1 4.33Å; V558-L562 HydrophobicContact CG1-CD1 3.67Å; V558-L562 HydrophobicContact CG1-CG 4.12Å; V558-L562 WeakPolarHBondContact O-CG 3.39Å; V558-L562 PolarHBondContact O-N 3.42Å; T560-L562 PolarHBondContact O-N 3.49Å; L562-Y565 PolarHBondContact O-N 3.12Å; L562-H566 WeakPolarHBondContact O-CB 3.27Å; L562-H566 PolarHBondContact O-N 3.47Å
563	R	86.4	Confident	78.7	Confident	134 Å²	134	81 Å²	81	51%	0.506	42%	0.415	S	S	.	.	H	α-helix	trans	-66.3	-40.6	176.8	-173.6	-179.3	-61.9	165.7	2.5	112.3	M547 V559 T560 I561 H566 T567	M547-R563 HydrophobicContact CE-CB 4.3Å; V559-R563 VanDerWaalsContact O-CB 3.27Å; V559-R563 WeakPolarHBondContact O-CB 3.46Å; V559-R563 PolarHBondContact O-N 3.45Å; T560-R563 PolarHBondContact O-N 2.97Å; I561-R563 VanDerWaalsContact C-N 3.31Å; I561-R563 PolarHBondContact O-N 3.28Å; R563-H566 PolarHBondContact O-N 3.37Å; R563-T567 PolarHBondContact O-N 2.89Å; R563-T567 VanDerWaalsContact O-N 3.15Å; R563-T567 PolarHBondContact O-OG1 3Å
564	D	86	Confident	76.6	Confident	87 Å²	87	77.2 Å²	77.2	47%	0.465	41%	0.406	S	S	.	.	H	α-helix	trans	-63.1	-45.1	177.7	-67.5	-16.6	0	0	0	110.6	T560 I561 T567 Q568	T560-D564 VanDerWaalsContact O-CG 3.27Å; T560-D564 PolarHBondContact O-N 3.36Å; I561-D564 PolarHBondContact O-N 3.32Å; D564-T567 PolarHBondContact O-N 3.02Å; D564-Q568 WeakPolarHBondContact O-CG 3.32Å; D564-Q568 PolarHBondContact O-N 3.48Å; D564-Q568 PolarHBondContact O-NE2 3.07Å
565	Y	82.1	Confident	74.1	Confident	61 Å²	61	78.7 Å²	78.7	24%	0.239	41%	0.414	C	S	.	.	H	α-helix	trans	-72.6	-33.1	177.3	-82.6	-85	0	0	0	113.4	L529 E530 I561 L562 T567 Q568 Y569	L529-Y565 HydrophobicContact CB-CD1 4.1Å; L529-Y565 HydrophobicContact CB-CD2 4.32Å; L529-Y565 HydrophobicContact CB-CE1 4.22Å; L529-Y565 HydrophobicContact CB-CE2 4.44Å; L529-Y565 HydrophobicContact CB-CG 4.18Å; L529-Y565 HydrophobicContact CD1-CD2 3.84Å; L529-Y565 HydrophobicContact CD1-CG 3.95Å; L529-Y565 HydrophobicContact CG-CG 4.5Å; E530-Y565 HydrophobicContact CG-CE1 4.46Å; E530-Y565 HydrophobicContact CG-CE2 4.5Å; E530-Y565 WeakPolarHBondContact CG-OH 3.36Å; E530-Y565 PolarHBondContact OE1-OH 2.88Å; I561-Y565 HydrophobicContact CG2-CD2 4.02Å; I561-Y565 HydrophobicContact CG2-CE2 4.2Å; I561-Y565 WeakPolarHBondContact O-CD2 3.31Å; I561-Y565 PolarHBondContact O-N 3.21Å; I561-Y565 VanDerWaalsContact O-N 3.12Å; L562-Y565 PolarHBondContact O-N 3.12Å; Y565-T567 VanDerWaalsContact C-N 3.29Å; Y565-T567 PolarHBondContact O-N 3.37Å; Y565-Q568 PolarHBondContact O-N 3.5Å; Y565-Y569 WeakPolarHBondContact O-CB 2.96Å; Y565-Y569 PolarHBondContact O-N 2.98Å
566	H	78	Confident	71.6	Confident	101 Å²	101	79 Å²	79	47%	0.468	43%	0.426	S	S	.	.	H	α-helix	trans	-61	-39.9	174.5	-176	72.1	0	0	0	111.7	V537 L562 R563 Q568 Y569	V537-H566 WeakPolarHBondContact CG1-ND1 3.49Å; L562-H566 WeakPolarHBondContact O-CB 3.27Å; L562-H566 PolarHBondContact O-N 3.47Å; R563-H566 PolarHBondContact O-N 3.37Å; H566-Q568 VanDerWaalsContact C-N 3.28Å; H566-Q568 PolarHBondContact O-N 2.97Å; H566-Y569 PolarHBondContact O-N 3.33Å
567	T	75.1	Confident	69.5	Low	116 Å²	116	76 Å²	76	71%	0.712	42%	0.419	S	S	*	.	H	α-helix	trans	-71	-26.3	179.2	-47.5	0	0	0	0	112.2	R563 D564 Y565	R563-T567 PolarHBondContact O-N 2.89Å; R563-T567 VanDerWaalsContact O-N 3.15Å; R563-T567 PolarHBondContact O-OG1 3Å; D564-T567 PolarHBondContact O-N 3.02Å; Y565-T567 VanDerWaalsContact C-N 3.29Å; Y565-T567 PolarHBondContact O-N 3.37Å
568	Q	68.7	Low	67.2	Low	140 Å²	140	75.4 Å²	75.4	65%	0.654	43%	0.425	S	S	*	.	H	α-helix	trans	-88.4	-14.9	178.7	-67.2	173.5	33.6	0	0	113.4	D564 Y565 H566 S570	D564-Q568 WeakPolarHBondContact O-CG 3.32Å; D564-Q568 PolarHBondContact O-N 3.48Å; D564-Q568 PolarHBondContact O-NE2 3.07Å; Y565-Q568 PolarHBondContact O-N 3.5Å; H566-Q568 VanDerWaalsContact C-N 3.28Å; H566-Q568 PolarHBondContact O-N 2.97Å; Q568-S570 PolarHBondContact O-N 3.25Å
569	Y	67.4	Low	64.6	Low	76 Å²	76	77.7 Å²	77.7	30%	0.298	44%	0.443	S	S	.	.			trans	-87.4	110	-174.2	-174.4	-100.7	0	0	0	111.8	P536 V537 Y565 H566	P536-Y569 VanDerWaalsContact CD-CD2 3.45Å; P536-Y569 HydrophobicContact CG-CD1 3.94Å; P536-Y569 HydrophobicContact CG-CD2 3.72Å; P536-Y569 HydrophobicContact CG-CE1 4.49Å; P536-Y569 HydrophobicContact CG-CE2 4.3Å; P536-Y569 HydrophobicContact CG-CG 3.51Å; V537-Y569 HydrophobicContact CG2-CD1 4.33Å; V537-Y569 HydrophobicContact CG2-CE1 4.08Å; Y565-Y569 WeakPolarHBondContact O-CB 2.96Å; Y565-Y569 PolarHBondContact O-N 2.98Å; H566-Y569 PolarHBondContact O-N 3.33Å
570	S	57.6	Low	62.1	Low	65 Å²	65	79.6 Å²	79.6	46%	0.455	46%	0.46	S	S	.	.			trans	-98.3	127.7	169.5	-84.5	0	0	0	0	111.3	Q568 Q572 D573	Q568-S570 PolarHBondContact O-N 3.25Å; S570-Q572 PolarHBondContact O-N 3.45Å; S570-Q572 VanDerWaalsContact O-N 3.09Å; S570-D573 PolarHBondContact O-N 3.01Å
571	P	54.4	Low	59.9	Low	103 Å²	103	81.8 Å²	81.8	67%	0.669	47%	0.469	S	S	*	.	H	α-helix	trans	-66.5	-13.1	-176.3	23	-30.9	0	0	0	114.5
572	Q	46.8	Very low	57.6	Low	169 Å²	169	84.4 Å²	84.4	79%	0.79	49%	0.488	S	S	*	.	H	α-helix	trans	-76.5	-25.4	176.6	-77.7	178.6	-21.3	0	0	113.6	S570	S570-Q572 PolarHBondContact O-N 3.45Å; S570-Q572 VanDerWaalsContact O-N 3.09Å
573	D	48.4	Very low	55.1	Low	110 Å²	110	90 Å²	90	59%	0.588	52%	0.515	S	S	*	.	H	α-helix	trans	-78.7	-25.3	-177.8	-70.6	-37.8	0	0	0	113.3	S570 T577	S570-D573 PolarHBondContact O-N 3.01Å; D573-T577 PolarHBondContact O-N 3.11Å; D573-T577 VanDerWaalsContact O-N 3.17Å; D573-T577 PolarHBondContact O-OG1 3.05Å
574	A	46.1	Very low	52.6	Low	40 Å²	40	86.3 Å²	86.3	33%	0.331	51%	0.509	S	S	.	.	H	α-helix	trans	-73.1	-32.8	177.4	0	0	0	0	0	112.9	T577 A578	A574-T577 WeakPolarHBondContact CA-OG1 3.44Å; A574-T577 PolarHBondContact O-OG1 3.26Å; A574-A578 PolarHBondContact O-N 3.14Å
575	A	40.3	Very low	50.4	Low	68 Å²	68	84.3 Å²	84.3	56%	0.562	51%	0.505	S	S	*	.	H	α-helix	trans	-75	-33	175.2	0	0	0	0	0	112.2	A579	A575-A579 WeakPolarHBondContact O-CB 3.21Å; A575-A579 PolarHBondContact O-N 3.06Å
576	A	39.5	Very low	48.2	Very low	60 Å²	60	87.7 Å²	87.7	50%	0.496	52%	0.522	S	S	.	.	H	α-helix	trans	-73	-35.3	177.8	0	0	0	0	0	112.8	A580	A576-A580 WeakPolarHBondContact O-CB 3.3Å; A576-A580 PolarHBondContact O-N 2.91Å
577	T	46	Very low	46.1	Very low	89 Å²	89	90.4 Å²	90.4	55%	0.546	53%	0.533	S	S	.	.	H	α-helix	trans	-72.1	-41	175.5	32.4	0	0	0	0	112.4	D573 A574 A579 A580 D581	D573-T577 PolarHBondContact O-N 3.11Å; D573-T577 VanDerWaalsContact O-N 3.17Å; D573-T577 PolarHBondContact O-OG1 3.05Å; A574-T577 WeakPolarHBondContact CA-OG1 3.44Å; A574-T577 PolarHBondContact O-OG1 3.26Å; T577-A579 VanDerWaalsContact C-N 3.3Å; T577-A579 PolarHBondContact O-N 3.01Å; T577-A580 PolarHBondContact O-N 3.25Å; T577-D581 PolarHBondContact O-N 3.45Å; T577-D581 VanDerWaalsContact O-N 3.1Å
578	A	42.4	Very low	44.4	Very low	66 Å²	66	90.4 Å²	90.4	55%	0.545	53%	0.529	S	S	.	.	H	α-helix	trans	-61.4	-36.3	172.6	0	0	0	0	0	112.8	A574 S582	A574-A578 PolarHBondContact O-N 3.14Å; A578-S582 PolarHBondContact O-N 3.07Å; A578-S582 PolarHBondContact O-OG 3.49Å
579	A	36	Very low	42.9	Very low	47 Å²	47	89.7 Å²	89.7	39%	0.388	53%	0.529	S	S	.	.	H	α-helix	trans	-73.3	-33.9	176	0	0	0	0	0	113.4	A575 T577 S582 Q583	A575-A579 WeakPolarHBondContact O-CB 3.21Å; A575-A579 PolarHBondContact O-N 3.06Å; T577-A579 VanDerWaalsContact C-N 3.3Å; T577-A579 PolarHBondContact O-N 3.01Å; A579-S582 VanDerWaalsContact C-OG 3.32Å; A579-S582 WeakPolarHBondContact CA-OG 3.49Å; A579-S582 PolarHBondContact O-OG 3.21Å; A579-Q583 PolarHBondContact O-N 3.38Å; A579-Q583 VanDerWaalsContact O-N 3.15Å
580	A	36.7	Very low	41.4	Very low	52 Å²	52	92 Å²	92	43%	0.43	55%	0.546	S	S	.	.	H	α-helix	trans	-72.5	-35.5	178.5	0	0	0	0	0	113.1	A576 T577 Q583 S584	A576-A580 WeakPolarHBondContact O-CB 3.3Å; A576-A580 PolarHBondContact O-N 2.91Å; T577-A580 PolarHBondContact O-N 3.25Å; A580-Q583 PolarHBondContact O-N 3.26Å; A580-S584 WeakPolarHBondContact O-CB 3.31Å; A580-S584 PolarHBondContact O-N 3.41Å; A580-S584 PolarHBondContact O-OG 2.89Å
581	D	43	Very low	40.3	Very low	122 Å²	122	92 Å²	92	65%	0.652	56%	0.556	S	S	*	*	H	α-helix	trans	-70	-32.2	174.9	-82.7	-14.6	0	0	0	112.4	T577 S584 A585	T577-D581 PolarHBondContact O-N 3.45Å; T577-D581 VanDerWaalsContact O-N 3.1Å; D581-S584 PolarHBondContact O-OG 3.12Å; D581-A585 WeakPolarHBondContact O-CB 3.4Å; D581-A585 PolarHBondContact O-N 3.39Å
582	S	41.1	Very low	39.6	Very low	64 Å²	64	94.4 Å²	94.4	45%	0.448	56%	0.563	S	S	.	*	H	α-helix	trans	-69.5	-40.4	170.6	42.8	0	0	0	0	113.3	A578 A579 E586	A578-S582 PolarHBondContact O-N 3.07Å; A578-S582 PolarHBondContact O-OG 3.49Å; A579-S582 VanDerWaalsContact C-OG 3.32Å; A579-S582 WeakPolarHBondContact CA-OG 3.49Å; A579-S582 PolarHBondContact O-OG 3.21Å; S582-E586 PolarHBondContact O-N 3.44Å
583	Q	35.3	Very low	39	Very low	121 Å²	121	96.1 Å²	96.1	57%	0.565	58%	0.576	S	S	*	*	H	α-helix	trans	-76.5	-29.4	-179.6	-77.2	-176.1	-2.5	0	0	113.8	A579 A580 K587	A579-Q583 PolarHBondContact O-N 3.38Å; A579-Q583 VanDerWaalsContact O-N 3.15Å; A580-Q583 PolarHBondContact O-N 3.26Å; Q583-K587 WeakPolarHBondContact O-CB 3.36Å; Q583-K587 PolarHBondContact O-N 3.06Å
584	S	34.8	Very low	38.5	Very low	56 Å²	56	95.4 Å²	95.4	39%	0.392	58%	0.576	S	S	.	*	H	α-helix	trans	-73.8	-29.6	173.9	72.6	0	0	0	0	112.1	A580 D581 N588	A580-S584 WeakPolarHBondContact O-CB 3.31Å; A580-S584 PolarHBondContact O-N 3.41Å; A580-S584 PolarHBondContact O-OG 2.89Å; D581-S584 PolarHBondContact O-OG 3.12Å; S584-N588 WeakPolarHBondContact O-CB 3.24Å; S584-N588 PolarHBondContact O-N 3.31Å; S584-N588 PolarHBondContact O-ND2 2.83Å
585	A	38.6	Very low	38.1	Very low	45 Å²	45	98.3 Å²	98.3	37%	0.372	59%	0.589	S	S	.	*	H	α-helix	trans	-67.8	-41.7	170.4	0	0	0	0	0	111.9	D581 L589	D581-A585 WeakPolarHBondContact O-CB 3.4Å; D581-A585 PolarHBondContact O-N 3.39Å; A585-L589 WeakPolarHBondContact O-CD1 3.41Å; A585-L589 PolarHBondContact O-N 3.33Å
586	E	36.6	Very low	38	Very low	131 Å²	131	100 Å²	100	61%	0.612	59%	0.59	S	S	*	*	H	α-helix	trans	-69	-43.8	176.8	-76.1	180	160.9	0	0	112.8	S582 N588 L589 D590	S582-E586 PolarHBondContact O-N 3.44Å; E586-N588 VanDerWaalsContact C-N 3.31Å; E586-N588 PolarHBondContact O-N 3.29Å; E586-L589 WeakPolarHBondContact O-CB 3.38Å; E586-L589 PolarHBondContact O-N 2.9Å; E586-L589 VanDerWaalsContact O-N 3.09Å; E586-D590 PolarHBondContact O-N 3.02Å
587	K	34.5	Very low	37.9	Very low	158 Å²	158	102.4 Å²	102.4	69%	0.687	60%	0.596	S	S	*	*	H	α-helix	trans	-67.1	-27.3	179	-82.2	-177.8	175.7	175.8	0	114.5	Q583 L589 G591	Q583-K587 WeakPolarHBondContact O-CB 3.36Å; Q583-K587 PolarHBondContact O-N 3.06Å; K587-L589 VanDerWaalsContact C-N 3.31Å; K587-G591 PolarHBondContact O-N 3.39Å
588	N	38.9	Very low	37.4	Very low	116 Å²	116	103.2 Å²	103.2	62%	0.62	60%	0.599	S	S	*	*	H	α-helix	trans	-78.3	-16.4	174.4	-76.6	-40.9	0	0	0	112.9	S584 E586	S584-N588 WeakPolarHBondContact O-CB 3.24Å; S584-N588 PolarHBondContact O-N 3.31Å; S584-N588 PolarHBondContact O-ND2 2.83Å; E586-N588 VanDerWaalsContact C-N 3.31Å; E586-N588 PolarHBondContact O-N 3.29Å
589	L	36.2	Very low	37	Very low	126 Å²	126	105.7 Å²	105.7	66%	0.66	60%	0.602	S	S	*	*	H	α-helix	trans	-83.2	-38	172	-99.4	134.1	0	0	0	111.8	A585 E586 K587 G591 L592	A585-L589 WeakPolarHBondContact O-CD1 3.41Å; A585-L589 PolarHBondContact O-N 3.33Å; E586-L589 WeakPolarHBondContact O-CB 3.38Å; E586-L589 PolarHBondContact O-N 2.9Å; E586-L589 VanDerWaalsContact O-N 3.09Å; K587-L589 VanDerWaalsContact C-N 3.31Å; L589-G591 VanDerWaalsContact C-N 3.31Å; L589-G591 PolarHBondContact O-N 3.21Å; L589-L592 PolarHBondContact O-N 3.18Å
590	D	35.5	Very low	37.1	Very low	123 Å²	123	109.9 Å²	109.9	66%	0.658	62%	0.618	S	S	*	*	H	α-helix	trans	-73.6	-18.8	177.5	-78	-20.2	0	0	0	114.1	E586 L592	E586-D590 PolarHBondContact O-N 3.02Å; D590-L592 VanDerWaalsContact C-N 3.32Å
591	G	34.5	Very low	37.1	Very low	65 Å²	65	114.3 Å²	114.3	67%	0.67	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	0.2	173.1	0	0	0	0	0	114.9	K587 L589	K587-G591 PolarHBondContact O-N 3.39Å; L589-G591 VanDerWaalsContact C-N 3.31Å; L589-G591 PolarHBondContact O-N 3.21Å
592	L	40.9	Very low	36.7	Very low	155 Å²	155	113.7 Å²	113.7	81%	0.812	63%	0.63	S	S	*	*			trans	-126.2	4.1	-176.2	-107.2	136.2	0	0	0	113.7	L589 D590	L589-L592 PolarHBondContact O-N 3.18Å; D590-L592 VanDerWaalsContact C-N 3.32Å
593	L	33.2	Very low	36.3	Very low	204 Å²	204	118.2 Å²	118.2	100%	1.068	65%	0.647	S	S	*	*			trans	-82.6	0	154.4	-73	169.3	0	0	0	109.5

Retrieved 593 of 593 residues in 329.8 ms (Link to these results)

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