A0A024E3A5_DROME Loading...

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 9, mitochondrial

AlphaFold DB , UniProt , Accession A0A024E3A5, Species DROME (Drosophila melanogaster, Fruit fly), Gene CG6020-RA, Length 416 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.1	Very low	30.5	Very low	250 Å²	250	159.4 Å²	159.4	100%	1.232	86%	0.858	S	S	*	*				0	110.8	0	-71	-164.3	-157.1	0	0	107.9
2	A	25.7	Very low	30.3	Very low	106 Å²	106	159.8 Å²	159.8	88%	0.876	86%	0.858	S	S	*	*			trans	-86	114	178.6	0	0	0	0	0	108.9
3	A	26.7	Very low	30.3	Very low	89 Å²	89	153.9 Å²	153.9	74%	0.736	85%	0.845	S	S	*	*			trans	-93.2	113.6	171.4	0	0	0	0	0	108.6	V5	A3-V5 HydrophobicContact CB-CG2 4.42Å
4	I	29.3	Very low	30.2	Very low	154 Å²	154	158.2 Å²	158.2	79%	0.79	85%	0.852	S	S	*	*			trans	-85.3	107.3	166.3	-64.1	171.9	0	0	0	106.2
5	V	28.1	Very low	30.3	Very low	111 Å²	111	159.3 Å²	159.3	67%	0.673	85%	0.848	S	S	*	*			trans	-103.4	105.3	174.6	178.8	0	0	0	0	108	A3 T7	A3-V5 HydrophobicContact CB-CG2 4.42Å; V5-T7 HydrophobicContact CG1-CG2 3.74Å
6	L	33.8	Very low	30.4	Very low	165 Å²	165	161.6 Å²	161.6	86%	0.864	85%	0.852	S	S	*	*			trans	-93.6	100.4	168.7	-96.3	155.1	0	0	0	108
7	T	31.5	Very low	30.6	Very low	120 Å²	120	156 Å²	156	74%	0.736	84%	0.842	S	S	*	*			trans	-114.9	115.6	172.6	44.3	0	0	0	0	110.7	V5	V5-T7 HydrophobicContact CG1-CG2 3.74Å
8	R	34.1	Very low	31.2	Very low	236 Å²	236	154.6 Å²	154.6	89%	0.891	85%	0.846	S	S	*	*			trans	-71.6	142.7	160.3	-94.1	178	165.6	174.9	-4.9	109
9	N	30.6	Very low	31.5	Very low	158 Å²	158	149.7 Å²	149.7	85%	0.845	84%	0.836	S	S	*	*			trans	87.5	121.9	167.4	-56.6	-21.4	0	0	0	117
10	L	34.2	Very low	31.6	Very low	171 Å²	171	149.8 Å²	149.8	90%	0.895	84%	0.84	S	S	*	*			trans	-63.4	145.6	175.5	-84.7	105.2	0	0	0	112.9
11	Q	29	Very low	31.8	Very low	193 Å²	193	148.4 Å²	148.4	90%	0.902	84%	0.835	S	S	*	*				-159.8	141.9	124.3	-106.8	174.3	10.5	0	0	112.9
12	L	28.8	Very low	31.8	Very low	164 Å²	164	140 Å²	140	86%	0.859	81%	0.811	S	S	*	*			trans	-32.6	127.3	-174.3	-84.6	128.4	0	0	0	121.1
13	A	30.3	Very low	32.3	Very low	84 Å²	84	140.9 Å²	140.9	69%	0.694	81%	0.806	S	S	*	*				23.2	125.4	129.5	0	0	0	0	0	121.6
14	K	28.3	Very low	32.2	Very low	214 Å²	214	143.7 Å²	143.7	93%	0.93	81%	0.808	S	S	*	*				-154.8	106	127.7	-106.7	175.5	-176.3	179.5	0	109.1
15	H	31.4	Very low	32.1	Very low	174 Å²	174	142 Å²	142	81%	0.806	81%	0.808	S	S	*	*			trans	-90.3	134.9	169.1	-97.8	-79.9	0	0	0	109.9
16	H	32.2	Very low	32.2	Very low	197 Å²	197	143.9 Å²	143.9	91%	0.912	81%	0.814	S	S	*	*			trans	-125.8	122.8	148.8	-91.6	44.8	0	0	0	105.8
17	G	34.1	Very low	31.9	Very low	66 Å²	66	146 Å²	146	68%	0.68	81%	0.81	S	S	*	*			trans	142.6	103.3	176.1	0	0	0	0	0	112.4	G19	G17-G19 PolarHBondContact O-N 3.36Å
18	S	41.8	Very low	31.7	Very low	130 Å²	130	143.6 Å²	143.6	91%	0.909	81%	0.809	S	S	*	*			trans	-60.1	114.9	170.5	47.2	0	0	0	0	111.5
19	G	36.5	Very low	31.5	Very low	63 Å²	63	142.1 Å²	142.1	65%	0.649	81%	0.805	S	S	*	*			trans	-158.7	122.9	168.4	0	0	0	0	0	109.2	G17 V21	G17-G19 PolarHBondContact O-N 3.36Å; G19-V21 PolarHBondContact O-N 3.13Å; G19-V21 VanDerWaalsContact O-N 3.13Å
20	V	34.5	Very low	31.5	Very low	151 Å²	151	139.9 Å²	139.9	92%	0.915	80%	0.802	S	S	*	*			trans	-72.9	103.8	176.8	179.5	0	0	0	0	107.9
21	V	35.2	Very low	31.4	Very low	121 Å²	121	136 Å²	136	73%	0.733	79%	0.794	S	S	*	*			trans	-91.5	109.1	171.2	-179.9	0	0	0	0	107.8	G19 V23	G19-V21 PolarHBondContact O-N 3.13Å; G19-V21 VanDerWaalsContact O-N 3.13Å; V21-V23 PolarHBondContact O-N 3.23Å
22	G	32.3	Very low	31.6	Very low	72 Å²	72	131.8 Å²	131.8	74%	0.742	79%	0.792	S	S	*	*			trans	-69.2	110.3	171.5	0	0	0	0	0	110.4
23	V	34.5	Very low	32.1	Very low	125 Å²	125	128.4 Å²	128.4	76%	0.758	79%	0.788	S	S	*	*			trans	-89.4	105.3	173.9	179.5	0	0	0	0	108.5	V21 C25	V21-V23 PolarHBondContact O-N 3.23Å; V23-C25 PolarHBondContact O-N 3.3Å
24	L	26.2	Very low	32.6	Very low	148 Å²	148	128.5 Å²	128.5	78%	0.775	79%	0.789	S	S	*	*			trans	-78.2	103.3	171.4	-165.3	88.2	0	0	0	108.8	L26	L24-L26 HydrophobicContact CD2-CD1 4.18Å; L24-L26 HydrophobicContact CD2-CG 4.16Å; L24-L26 PolarHBondContact O-N 3.24Å
25	C	27.5	Very low	33.1	Very low	118 Å²	118	123.8 Å²	123.8	80%	0.797	78%	0.78	S	S	*	*			trans	-86	91	178.5	-156.3	0	0	0	0	110.1	V23 R27	V23-C25 PolarHBondContact O-N 3.3Å; C25-R27 PolarHBondContact O-N 3.23Å
26	L	28.8	Very low	33.6	Very low	152 Å²	152	121.4 Å²	121.4	80%	0.796	78%	0.781	S	S	*	*			trans	-73.8	105.6	170	-83.5	162.2	0	0	0	109.5	L24 G28	L24-L26 HydrophobicContact CD2-CD1 4.18Å; L24-L26 HydrophobicContact CD2-CG 4.16Å; L24-L26 PolarHBondContact O-N 3.24Å; L26-G28 PolarHBondContact O-N 2.93Å; L26-G28 VanDerWaalsContact O-N 3.12Å
27	R	27.5	Very low	34.3	Very low	208 Å²	208	120.4 Å²	120.4	79%	0.785	78%	0.776	S	S	*	*			trans	-81.9	85.5	174.3	-148.7	176.6	-167	173.8	2.5	108.7	C25 Y29	C25-R27 PolarHBondContact O-N 3.23Å; R27-Y29 PolarHBondContact O-N 3.19Å
28	G	28	Very low	34.8	Very low	70 Å²	70	125.6 Å²	125.6	72%	0.722	79%	0.788	S	S	*	*			trans	-67.9	108.7	169.2	0	0	0	0	0	109.6	L26 S30	L26-G28 PolarHBondContact O-N 2.93Å; L26-G28 VanDerWaalsContact O-N 3.12Å; G28-S30 PolarHBondContact O-N 3.12Å
29	Y	30.1	Very low	35.1	Very low	206 Å²	206	121.2 Å²	121.2	81%	0.808	76%	0.764	S	S	*	*			trans	-70.4	85.8	161.9	-77.2	-83.2	0	0	0	107.7	R27 A31	R27-Y29 PolarHBondContact O-N 3.19Å; Y29-A31 PolarHBondContact O-N 3.1Å
30	S	30.6	Very low	35.3	Very low	111 Å²	111	122.5 Å²	122.5	78%	0.776	76%	0.761	S	S	*	*			trans	-69.3	113.2	156.2	177.8	0	0	0	0	105.8	G28 A32	G28-S30 PolarHBondContact O-N 3.12Å; S30-A32 PolarHBondContact O-N 3.29Å; S30-A32 VanDerWaalsContact O-N 3.1Å
31	A	32.4	Very low	35.4	Very low	88 Å²	88	126.2 Å²	126.2	73%	0.727	76%	0.758	S	S	*	*			trans	-48.7	121.2	167.6	0	0	0	0	0	107.5	Y29 A33	Y29-A31 PolarHBondContact O-N 3.1Å; A31-A33 VanDerWaalsContact C-N 3.3Å; A31-A33 PolarHBondContact O-N 2.77Å
32	A	32.9	Very low	35.6	Very low	105 Å²	105	126.1 Å²	126.1	87%	0.868	76%	0.76	S	S	*	*			trans	-58.5	96.1	177.6	0	0	0	0	0	108.5	S30	S30-A32 PolarHBondContact O-N 3.29Å; S30-A32 VanDerWaalsContact O-N 3.1Å
33	A	38.6	Very low	36	Very low	93 Å²	93	129.2 Å²	129.2	77%	0.769	76%	0.759	S	S	*	*			trans	-62.1	140	160.9	0	0	0	0	0	107.3	A31	A31-A33 VanDerWaalsContact C-N 3.3Å; A31-A33 PolarHBondContact O-N 2.77Å
34	A	40.3	Very low	36.3	Very low	87 Å²	87	132.6 Å²	132.6	72%	0.719	76%	0.763	S	S	*	*			trans	-39.2	155.2	-177.4	0	0	0	0	0	115
35	P	39.1	Very low	37.4	Very low	114 Å²	114	132.4 Å²	132.4	74%	0.74	77%	0.769	S	S	*	*			trans	-52.4	150.7	178.4	22.4	-33.7	0	0	0	112.1	E37	P35-E37 PolarHBondContact O-N 3.32Å
36	P	43.4	Very low	38.8	Very low	125 Å²	125	130.4 Å²	130.4	81%	0.812	75%	0.753	S	S	*	*			trans	-59.5	130.3	-175.1	25.3	-32.9	0	0	0	110.2	D38	P36-D38 PolarHBondContact O-N 2.94Å
37	E	46.9	Very low	40.7	Very low	175 Å²	175	127.4 Å²	127.4	82%	0.818	74%	0.738	S	S	*	*			trans	-56.3	103.2	174	-66.1	-167.7	157.3	0	0	110.4	P35 G39	P35-E37 PolarHBondContact O-N 3.32Å; E37-G39 PolarHBondContact O-N 3.25Å
38	D	42.8	Very low	42.7	Very low	175 Å²	175	118.6 Å²	118.6	94%	0.936	71%	0.707	S	S	*	*			trans	-80	28.2	154.6	-126.6	0	0	0	0	110.2	P36	P36-D38 PolarHBondContact O-N 2.94Å
39	G	49.7	Very low	44.6	Very low	38 Å²	38	118.1 Å²	118.1	39%	0.392	70%	0.697	S	S	.	*	S	Bend	trans	-81.9	142.4	169.4	0	0	0	0	0	109.3	E37 R41	E37-G39 PolarHBondContact O-N 3.25Å; G39-R41 PolarHBondContact O-N 3.02Å
40	P	39.4	Very low	46.6	Very low	90 Å²	90	112.4 Å²	112.4	58%	0.584	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-58.4	118.6	174.1	22	-28.7	0	0	0	108.4	P42 K131	P40-P42 VanDerWaalsContact O-CD 3.29Å; P40-P42 WeakPolarHBondContact O-CD 3.29Å; P40-K131 VanDerWaalsContact CG-NZ 3.27Å
41	R	38.1	Very low	49	Very low	229 Å²	229	110.9 Å²	110.9	86%	0.864	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-51	117.5	169.8	-64.2	-179.5	-170.3	175.1	3.8	106.7	G39 L43	G39-R41 PolarHBondContact O-N 3.02Å; R41-L43 PolarHBondContact O-N 2.83Å
42	P	38.6	Very low	51.5	Low	120 Å²	120	113.7 Å²	113.7	78%	0.779	67%	0.669	S	S	*	*			trans	-61.3	110.9	174	23.1	-29.3	0	0	0	105.8	P40 K44	P40-P42 VanDerWaalsContact O-CD 3.29Å; P40-P42 WeakPolarHBondContact O-CD 3.29Å; P42-K44 PolarHBondContact O-N 2.89Å
43	L	40.3	Very low	54	Low	136 Å²	136	117.9 Å²	117.9	71%	0.712	66%	0.663	S	S	*	*			trans	-50.5	119.6	164.7	-71.3	168.4	0	0	0	104.9	R41 T45 T46	R41-L43 PolarHBondContact O-N 2.83Å; L43-T45 PolarHBondContact O-N 2.79Å; L43-T46 HydrophobicContact CB-CG2 4.22Å
44	K	41	Very low	56.3	Low	196 Å²	196	116.5 Å²	116.5	85%	0.852	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-40	106.3	171.8	-82.8	179.5	172.4	-179.7	0	107.5	P42 T46	P42-K44 PolarHBondContact O-N 2.89Å; K44-T46 VanDerWaalsContact C-N 3.26Å; K44-T46 PolarHBondContact O-N 3.46Å
45	T	49.6	Very low	58.5	Low	145 Å²	145	119.9 Å²	119.9	89%	0.89	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	6.6	70.7	174.3	34.6	0	0	0	0	113.8	L43 N47	L43-T45 PolarHBondContact O-N 2.79Å; T45-N47 PolarHBondContact O-N 3.01Å
46	T	56.9	Low	60.7	Low	76 Å²	76	116.7 Å²	116.7	47%	0.466	66%	0.657	S	S	.	*			trans	-72.7	99.5	175.8	45.3	0	0	0	0	106.3	L43 K44 P48	L43-T46 HydrophobicContact CB-CG2 4.22Å; K44-T46 VanDerWaalsContact C-N 3.26Å; K44-T46 PolarHBondContact O-N 3.46Å; T46-P48 WeakPolarHBondContact O-CD 3.38Å; T46-P48 VanDerWaalsContact O-N 3.11Å
47	N	68.3	Low	62.9	Low	88 Å²	88	112.2 Å²	112.2	47%	0.471	63%	0.634	S	S	.	*			trans	-63.2	110.8	173.9	-175.5	-14.3	0	0	0	107.9	T45 A49 A50	T45-N47 PolarHBondContact O-N 3.01Å; N47-A49 PolarHBondContact O-N 3.33Å; N47-A49 VanDerWaalsContact OD1-CB 3.25Å; N47-A49 WeakPolarHBondContact OD1-CB 3.27Å; N47-A49 PolarHBondContact OD1-N 3.14Å; N47-A49 VanDerWaalsContact OD1-N 3.08Å; N47-A50 HydrophobicContact CB-CB 4.32Å; N47-A50 WeakPolarHBondContact O-CB 3.49Å; N47-A50 PolarHBondContact O-N 3.24Å
48	P	69.3	Low	65	Low	23 Å²	23	109.2 Å²	109.2	15%	0.149	62%	0.615	C	S	.	*	G	3₁₀ helix	trans	-63.4	-25.6	-176	28.2	-34.9	0	0	0	111.7	T46 A50 M51 G63 V65 N134	T46-P48 WeakPolarHBondContact O-CD 3.38Å; T46-P48 VanDerWaalsContact O-N 3.11Å; P48-A50 VanDerWaalsContact C-N 3.26Å; P48-A50 PolarHBondContact O-N 2.95Å; P48-M51 HydrophobicContact CB-CE 4.24Å; P48-M51 PolarHBondContact O-N 3.01Å; P48-G63 CarbonylContact C-O 3.43Å; P48-G63 WeakPolarHBondContact CB-O 3.24Å; P48-G63 WeakPolarHBondContact O-CA 2.87Å; P48-V65 HydrophobicContact CB-CG2 4.47Å; P48-N134 HydrophobicContact CG-CB 4.36Å
49	A	69.3	Low	67.3	Low	61 Å²	61	105.2 Å²	105.2	50%	0.504	60%	0.602	S	S	.	*	G	3₁₀ helix	trans	-61.7	-32.7	172.7	0	0	0	0	0	112.8	N47 M51 K52	N47-A49 PolarHBondContact O-N 3.33Å; N47-A49 VanDerWaalsContact OD1-CB 3.25Å; N47-A49 WeakPolarHBondContact OD1-CB 3.27Å; N47-A49 PolarHBondContact OD1-N 3.14Å; N47-A49 VanDerWaalsContact OD1-N 3.08Å; A49-M51 PolarHBondContact O-N 2.98Å; A49-K52 PolarHBondContact O-N 3.32Å
50	A	70.8	Confident	69.3	Low	85 Å²	85	103.9 Å²	103.9	70%	0.702	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-72.5	-14.2	176.7	0	0	0	0	0	113.1	N47 P48	N47-A50 HydrophobicContact CB-CB 4.32Å; N47-A50 WeakPolarHBondContact O-CB 3.49Å; N47-A50 PolarHBondContact O-N 3.24Å; P48-A50 VanDerWaalsContact C-N 3.26Å; P48-A50 PolarHBondContact O-N 2.95Å
51	M	81.3	Confident	71.8	Confident	79 Å²	79	101.4 Å²	101.4	39%	0.389	57%	0.566	S	S	.	*	G	3₁₀ helix	trans	-95.1	6.1	179.9	-65.6	-170.9	-75.7	0	0	113.2	P48 A49 R53 F61	P48-M51 HydrophobicContact CB-CE 4.24Å; P48-M51 PolarHBondContact O-N 3.01Å; A49-M51 PolarHBondContact O-N 2.98Å; M51-R53 WeakPolarHBondContact O-CG 3.13Å; M51-R53 PolarHBondContact O-N 3.05Å; M51-F61 HydrophobicContact CB-CD1 4.16Å; M51-F61 HydrophobicContact CB-CE1 3.89Å; M51-F61 WeakPolarHBondContact O-CD1 3.46Å
52	K	84.8	Confident	74.2	Confident	147 Å²	147	91.7 Å²	91.7	64%	0.639	53%	0.531	S	S	*	.			trans	-55.9	124.9	178.6	-174.7	175.1	-179.2	-175.2	0	111.2	A49 F61	A49-K52 PolarHBondContact O-N 3.32Å; K52-F61 CarbonylContact C-O 3.6Å; K52-F61 VanDerWaalsContact CA-O 3.29Å; K52-F61 WeakPolarHBondContact CA-O 3.19Å
53	R	86	Confident	76.5	Confident	193 Å²	193	86 Å²	86	73%	0.728	50%	0.495	S	S	*	.	B	Isolated β-bridge	trans	-140.7	145.4	-176.6	-73.1	176.7	-175.7	-176.8	1.8	111.5	M51 S60 F61	M51-R53 WeakPolarHBondContact O-CG 3.13Å; M51-R53 PolarHBondContact O-N 3.05Å; R53-S60 WeakPolarHBondContact O-CB 3.36Å; R53-F61 PolarHBondContact N-O 3.16Å; R53-F61 PolarHBondContact O-N 2.92Å
54	G	86.6	Confident	79	Confident	65 Å²	65	80.6 Å²	80.6	67%	0.67	47%	0.467	S	S	*	.	S	Bend	trans	92.1	172.2	175.4	0	0	0	0	0	114.4	G56	G54-G56 PolarHBondContact O-N 3.26Å
55	T	85.8	Confident	81.5	Confident	157 Å²	157	71.9 Å²	71.9	96%	0.963	43%	0.43	S	S	*	.	S	Bend	trans	-80.3	6.6	-176	52	0	0	0	0	113.9
56	G	85.5	Confident	83.7	Confident	47 Å²	47	65 Å²	65	49%	0.485	39%	0.387	S	S	.	.	S	Bend	trans	87.9	160	-165.4	0	0	0	0	0	112.4	G54 S60	G54-G56 PolarHBondContact O-N 3.26Å; G56-S60 VanDerWaalsContact CA-OG 3.26Å; G56-S60 WeakPolarHBondContact CA-OG 3.23Å
57	G	89.2	Confident	85.7	Confident	32 Å²	32	61.3 Å²	61.3	33%	0.33	37%	0.365	S	S	.	.	S	Bend	trans	109.3	-172.6	-178.6	0	0	0	0	0	113.8	S59 S60 K85 S86 G87	G57-S59 PolarHBondContact O-N 3.22Å; G57-S60 PolarHBondContact N-OG 3.08Å; G57-S60 VanDerWaalsContact N-OG 3.1Å; G57-S60 PolarHBondContact O-N 3.26Å; G57-S60 PolarHBondContact O-OG 3.15Å; G57-K85 CarbonylContact C-O 3.58Å; G57-K85 WeakPolarHBondContact CA-O 3.49Å; G57-S86 CarbonylContact O-C 3.34Å; G57-G87 VanDerWaalsContact O-CA 3.28Å; G57-G87 WeakPolarHBondContact O-CA 3.46Å; G57-G87 PolarHBondContact O-N 2.87Å; G57-G87 VanDerWaalsContact O-N 3.11Å
58	R	91.9	Very high	87.1	Confident	111 Å²	111	57.1 Å²	57.1	42%	0.419	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-43.9	-169.8	-176.6	-175	175.2	98.8	-6.7	114.3	K85 V106 T107 G108 D109	R58-K85 PolarHBondContact N-O 3.32Å; R58-V106 VanDerWaalsContact CZ-O 3.29Å; R58-V106 PolarHBondContact NH1-O 3.37Å; R58-V106 PolarHBondContact NH2-O 3.16Å; R58-T107 PolarHBondContact NH1-O 3.06Å; R58-G108 PolarHBondContact NH2-O 3.28Å; R58-D109 HydrophobicContact CG-CB 4.31Å
59	S	91.6	Very high	88.4	Confident	92 Å²	92	56 Å²	56	64%	0.643	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	5.8	-176	-54.9	0	0	0	0	113.4	G57 D109	G57-S59 PolarHBondContact O-N 3.22Å; S59-D109 WeakPolarHBondContact CA-OD2 3.04Å; S59-D109 WeakPolarHBondContact CB-OD2 3.28Å; S59-D109 PolarHBondContact OG-OD2 3.4Å
60	S	91.9	Very high	89.6	Confident	10 Å²	10	53.8 Å²	53.8	7%	0.07	32%	0.318	C	S	.	.	S	Bend	trans	-83.6	164.9	172.6	71.9	0	0	0	0	110.5	R53 G56 G57 G87	R53-S60 WeakPolarHBondContact O-CB 3.36Å; G56-S60 VanDerWaalsContact CA-OG 3.26Å; G56-S60 WeakPolarHBondContact CA-OG 3.23Å; G57-S60 PolarHBondContact N-OG 3.08Å; G57-S60 VanDerWaalsContact N-OG 3.1Å; G57-S60 PolarHBondContact O-N 3.26Å; G57-S60 PolarHBondContact O-OG 3.15Å; S60-G87 CarbonylContact O-C 3.03Å; S60-G87 WeakPolarHBondContact O-CA 3.4Å; S60-G87 VanDerWaalsContact O-O 3.1Å
61	F	90.6	Very high	90.8	Very high	37 Å²	37	49.8 Å²	49.8	16%	0.162	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-118.5	120.6	168	-176.7	-117.1	0	0	0	109.2	M51 K52 R53 V65 G87 Q89	M51-F61 HydrophobicContact CB-CD1 4.16Å; M51-F61 HydrophobicContact CB-CE1 3.89Å; M51-F61 WeakPolarHBondContact O-CD1 3.46Å; K52-F61 CarbonylContact C-O 3.6Å; K52-F61 VanDerWaalsContact CA-O 3.29Å; K52-F61 WeakPolarHBondContact CA-O 3.19Å; R53-F61 PolarHBondContact N-O 3.16Å; R53-F61 PolarHBondContact O-N 2.92Å; F61-V65 HydrophobicContact CZ-CG2 4.23Å; F61-G87 WeakPolarHBondContact CA-O 3.47Å; F61-Q89 HydrophobicContact CE2-CB 3.97Å
62	N	88.2	Confident	91.4	Very high	25 Å²	25	47.9 Å²	47.9	13%	0.134	28%	0.278	C	S	.	.			trans	-91.7	-0.6	-174.6	63.1	17.9	0	0	0	114.5	I64 S86 G87 T88	N62-I64 VanDerWaalsContact C-N 3.31Å; N62-I64 WeakPolarHBondContact OD1-CA 3.43Å; N62-I64 VanDerWaalsContact OD1-CB 3.27Å; N62-I64 WeakPolarHBondContact OD1-CB 3.48Å; N62-I64 PolarHBondContact OD1-N 3.35Å; N62-S86 PolarHBondContact ND2-O 2.58Å; N62-G87 PolarHBondContact N-O 3.46Å; N62-T88 PolarHBondContact ND2-N 3.33Å; N62-T88 PolarHBondContact ND2-OG1 3.4Å
63	G	88.4	Confident	91.7	Very high	2 Å²	2	42.2 Å²	42.2	2%	0.021	26%	0.261	C	S	.	.	S	Bend	trans	81.2	9.4	-177.1	0	0	0	0	0	114.2	P48 N134	P48-G63 CarbonylContact C-O 3.43Å; P48-G63 WeakPolarHBondContact CB-O 3.24Å; P48-G63 WeakPolarHBondContact O-CA 2.87Å; G63-N134 PolarHBondContact O-ND2 2.77Å
64	I	91.5	Very high	92.1	Very high	22 Å²	22	34.8 Å²	34.8	11%	0.113	24%	0.235	C	C	.	.			trans	-105.2	129.7	175.9	-55	174.2	0	0	0	109.2	N62 A66 T88 Q89 N134 V135 K273	N62-I64 VanDerWaalsContact C-N 3.31Å; N62-I64 WeakPolarHBondContact OD1-CA 3.43Å; N62-I64 VanDerWaalsContact OD1-CB 3.27Å; N62-I64 WeakPolarHBondContact OD1-CB 3.48Å; N62-I64 PolarHBondContact OD1-N 3.35Å; I64-A66 HydrophobicContact CG2-CB 4.29Å; I64-T88 HydrophobicContact CB-CG2 3.83Å; I64-T88 HydrophobicContact CG2-CG2 3.71Å; I64-T88 WeakPolarHBondContact O-CG2 3.29Å; I64-Q89 PolarHBondContact O-N 3.37Å; I64-Q89 VanDerWaalsContact O-N 3.12Å; I64-N134 WeakPolarHBondContact CG2-OD1 3.36Å; I64-V135 HydrophobicContact CG2-CB 4.22Å; I64-V135 HydrophobicContact CG2-CG2 3.72Å; I64-K273 HydrophobicContact CD1-CG 4.03Å
65	V	94.3	Very high	92.6	Very high	12 Å²	12	32.5 Å²	32.5	7%	0.073	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	98.4	170	-173.8	0	0	0	0	107.5	P48 F61 Q89 I91 H132 S133 N134 V135	P48-V65 HydrophobicContact CB-CG2 4.47Å; F61-V65 HydrophobicContact CZ-CG2 4.23Å; V65-Q89 CarbonylContact C-O 3.54Å; V65-Q89 VanDerWaalsContact CA-O 3.31Å; V65-Q89 WeakPolarHBondContact CA-O 3.26Å; V65-Q89 HydrophobicContact CG2-CB 4.36Å; V65-I91 HydrophobicContact CG1-CD1 4.22Å; V65-H132 WeakPolarHBondContact CG1-O 3.39Å; V65-S133 CarbonylContact O-C 3.53Å; V65-S133 VanDerWaalsContact O-CA 3.3Å; V65-S133 WeakPolarHBondContact O-CA 3.48Å; V65-S133 WeakPolarHBondContact O-CB 3.23Å; V65-N134 VanDerWaalsContact C-OD1 3.27Å; V65-N134 WeakPolarHBondContact CA-OD1 3.39Å; V65-N134 PolarHBondContact N-OD1 2.75Å; V65-N134 PolarHBondContact O-N 2.77Å; V65-N134 PolarHBondContact O-OD1 2.95Å; V65-V135 PolarHBondContact O-N 3.05Å
66	A	96.1	Very high	93	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	126.9	-172.7	0	0	0	0	0	111.9	I64 L83 T88 Q89 M90 I91 V135	I64-A66 HydrophobicContact CG2-CB 4.29Å; A66-L83 HydrophobicContact CB-CD1 4.15Å; A66-T88 HydrophobicContact CB-CG2 3.98Å; A66-Q89 PolarHBondContact N-O 2.91Å; A66-M90 CarbonylContact O-C 3.54Å; A66-M90 VanDerWaalsContact O-CA 3.24Å; A66-M90 WeakPolarHBondContact O-CA 3.26Å; A66-I91 PolarHBondContact O-N 3.22Å; A66-V135 CarbonylContact C-O 3.57Å; A66-V135 VanDerWaalsContact CA-O 3.26Å; A66-V135 WeakPolarHBondContact CA-O 3.4Å; A66-V135 HydrophobicContact CB-CB 4.4Å
67	T	97.6	Very high	93.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	121.3	164	-73.9	0	0	0	0	110.1	F69 I91 P93 A129 V130 S133 V135 V136 I137	T67-F69 HydrophobicContact CG2-CD2 3.89Å; T67-F69 HydrophobicContact CG2-CE1 4.47Å; T67-F69 HydrophobicContact CG2-CE2 3.46Å; T67-F69 VanDerWaalsContact CG2-CE2 3.46Å; T67-F69 HydrophobicContact CG2-CZ 3.79Å; T67-I91 WeakPolarHBondContact CA-O 3.31Å; T67-P93 HydrophobicContact CG2-CG 3.75Å; T67-A129 HydrophobicContact CG2-CB 4.45Å; T67-A129 PolarHBondContact OG1-O 3.3Å; T67-A129 VanDerWaalsContact OG1-O 3.09Å; T67-V130 HydrophobicContact CG2-CG1 4.41Å; T67-S133 WeakPolarHBondContact CB-OG 3.19Å; T67-S133 PolarHBondContact OG1-OG 3.09Å; T67-V135 PolarHBondContact N-O 2.88Å; T67-V136 WeakPolarHBondContact O-CA 3.5Å; T67-I137 PolarHBondContact O-N 3.08Å
68	V	97.7	Very high	93.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	96	-177.8	-172.3	0	0	0	0	110.5	A71 L83 I91 L92 P93 I137 L139	V68-A71 HydrophobicContact CB-CB 4.28Å; V68-A71 HydrophobicContact CG1-CB 4.09Å; V68-A71 WeakPolarHBondContact O-CB 3.35Å; V68-L83 HydrophobicContact CG2-CD1 3.88Å; V68-I91 PolarHBondContact N-O 3.1Å; V68-L92 HydrophobicContact CB-CD2 4.01Å; V68-L92 HydrophobicContact CG2-CD2 4.3Å; V68-P93 WeakPolarHBondContact O-CD 3.47Å; V68-I137 HydrophobicContact CG1-CB 4.49Å; V68-I137 HydrophobicContact CG2-CD1 4.28Å; V68-L139 HydrophobicContact CG1-CD1 3.97Å
69	F	97.4	Very high	94.1	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	133	171.3	-66.2	-81.8	0	0	0	110.3	T67 P93 Y118 I126 A129 V130 V136 I137 L139 V140 I162	T67-F69 HydrophobicContact CG2-CD2 3.89Å; T67-F69 HydrophobicContact CG2-CE1 4.47Å; T67-F69 HydrophobicContact CG2-CE2 3.46Å; T67-F69 VanDerWaalsContact CG2-CE2 3.46Å; T67-F69 HydrophobicContact CG2-CZ 3.79Å; F69-P93 HydrophobicContact CB-CG 4.48Å; F69-P93 HydrophobicContact CD1-CB 3.9Å; F69-P93 HydrophobicContact CD1-CG 3.37Å; F69-P93 HydrophobicContact CD2-CG 4.47Å; F69-P93 HydrophobicContact CE1-CB 3.82Å; F69-P93 HydrophobicContact CE1-CG 3.56Å; F69-P93 HydrophobicContact CG-CG 3.87Å; F69-P93 HydrophobicContact CZ-CG 4.19Å; F69-Y118 HydrophobicContact CD1-CD2 4.27Å; F69-Y118 HydrophobicContact CD1-CE1 4.32Å; F69-Y118 AromaticContact CD1-CE2 3.7Å; F69-Y118 HydrophobicContact CD1-CE2 3.7Å; F69-Y118 AromaticContact CD1-CZ 3.71Å; F69-Y118 AromaticContact CE1-CD2 4Å; F69-Y118 HydrophobicContact CE1-CD2 4Å; F69-Y118 AromaticContact CE1-CE2 3.87Å; F69-Y118 HydrophobicContact CE1-CE2 3.87Å; F69-Y118 HydrophobicContact CE1-CG 4.5Å; F69-I126 HydrophobicContact CE1-CG2 4.34Å; F69-I126 HydrophobicContact CZ-CG2 3.87Å; F69-A129 HydrophobicContact CZ-CB 4.35Å; F69-V130 HydrophobicContact CE2-CG1 4.43Å; F69-V136 HydrophobicContact CD2-CG1 3.85Å; F69-V136 HydrophobicContact CE2-CG1 3.77Å; F69-I137 PolarHBondContact N-O 3.11Å; F69-L139 WeakPolarHBondContact O-CA 3.37Å; F69-L139 VanDerWaalsContact O-CB 3.29Å; F69-L139 WeakPolarHBondContact O-CB 3.28Å; F69-L139 PolarHBondContact O-N 3.22Å; F69-V140 HydrophobicContact CB-CG2 3.64Å; F69-I162 HydrophobicContact CB-CD1 4.38Å; F69-I162 HydrophobicContact CD1-CD1 4.18Å; F69-I162 HydrophobicContact CD2-CD1 4.3Å; F69-I162 HydrophobicContact CD2-CG2 3.66Å; F69-I162 HydrophobicContact CE2-CG2 3.51Å; F69-I162 HydrophobicContact CG-CD1 4.04Å; F69-I162 HydrophobicContact CG-CG2 4.44Å; F69-I162 HydrophobicContact CZ-CG2 4.17Å
70	G	94.8	Very high	94.3	Very high	14 Å²	14	16.7 Å²	16.7	14%	0.144	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	19.8	-175.2	0	0	0	0	0	114.3	T72 G73	G70-T72 PolarHBondContact O-N 2.94Å; G70-G73 PolarHBondContact O-N 3Å; G70-G73 VanDerWaalsContact O-N 3.11Å
71	A	94.9	Very high	94.5	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.008	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-30.4	178.3	0	0	0	0	0	114.2	V68 G73 G76 R77 L92 L104	V68-A71 HydrophobicContact CB-CB 4.28Å; V68-A71 HydrophobicContact CG1-CB 4.09Å; V68-A71 WeakPolarHBondContact O-CB 3.35Å; A71-G73 PolarHBondContact O-N 2.95Å; A71-G76 CarbonylContact O-C 3.48Å; A71-R77 PolarHBondContact O-N 3.45Å; A71-L92 HydrophobicContact CB-CB 4.35Å; A71-L92 HydrophobicContact CB-CD2 3.86Å; A71-L104 HydrophobicContact CB-CD1 4.03Å
72	T	94.1	Very high	94.7	Very high	39 Å²	39	20.2 Å²	20.2	24%	0.239	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-22	178.9	50.9	0	0	0	0	113.9	G70 R77 D100 V101 R103	G70-T72 PolarHBondContact O-N 2.94Å; T72-R77 PolarHBondContact O-NE 3.49Å; T72-R77 PolarHBondContact O-NH2 2.71Å; T72-D100 HydrophobicContact CG2-CB 4.5Å; T72-V101 HydrophobicContact CG2-CG1 3.35Å; T72-R103 PolarHBondContact O-NH2 3.25Å; T72-R103 VanDerWaalsContact O-NH2 3.12Å
73	G	92.6	Very high	95.1	Very high	28 Å²	28	19.2 Å²	19.2	29%	0.289	11%	0.105	S	C	.	.	S	Bend	trans	-75.4	-176.4	-175.6	0	0	0	0	0	114.6	G70 A71 R77	G70-G73 PolarHBondContact O-N 3Å; G70-G73 VanDerWaalsContact O-N 3.11Å; A71-G73 PolarHBondContact O-N 2.95Å; G73-R77 WeakPolarHBondContact O-CD 3.44Å; G73-R77 VanDerWaalsContact O-CG 3.24Å; G73-R77 WeakPolarHBondContact O-CG 3.48Å; G73-R77 PolarHBondContact O-N 3.29Å; G73-R77 PolarHBondContact O-NE 3.44Å
74	F	94.4	Very high	95.4	Very high	37 Å²	37	19.1 Å²	19.1	16%	0.162	10%	0.104	C	C	.	.	H	α-helix	trans	-58.8	-63.8	-179.9	168.3	-123.4	0	0	0	111.6	G76 Y78 I223 S226 E227 D228 V261	F74-G76 VanDerWaalsContact C-N 3.34Å; F74-G76 PolarHBondContact O-N 3.11Å; F74-Y78 AromaticContact CD2-CE2 3.85Å; F74-Y78 HydrophobicContact CD2-CE2 3.85Å; F74-Y78 HydrophobicContact CE2-CD2 4.44Å; F74-Y78 AromaticContact CE2-CE2 3.62Å; F74-Y78 HydrophobicContact CE2-CE2 3.62Å; F74-Y78 HydrophobicContact CZ-CE2 4.48Å; F74-Y78 VanDerWaalsContact O-CD2 3.23Å; F74-Y78 WeakPolarHBondContact O-CD2 3.29Å; F74-I223 HydrophobicContact CE1-CB 4.11Å; F74-I223 HydrophobicContact CE1-CG2 3.68Å; F74-I223 HydrophobicContact CZ-CG2 4.26Å; F74-S226 WeakPolarHBondContact CE2-O 3.43Å; F74-E227 HydrophobicContact CD2-CB 4.35Å; F74-D228 HydrophobicContact CE1-CB 4.08Å; F74-D228 HydrophobicContact CE2-CB 4.2Å; F74-D228 HydrophobicContact CZ-CB 3.73Å; F74-V261 HydrophobicContact CD1-CG2 4.41Å; F74-V261 HydrophobicContact CE1-CB 4.06Å; F74-V261 HydrophobicContact CE1-CG2 3.83Å; F74-V261 HydrophobicContact CE2-CB 4.24Å; F74-V261 HydrophobicContact CE2-CG1 4.17Å; F74-V261 HydrophobicContact CE2-CG2 4.06Å; F74-V261 HydrophobicContact CZ-CB 3.58Å; F74-V261 HydrophobicContact CZ-CG1 3.89Å; F74-V261 HydrophobicContact CZ-CG2 3.63Å
75	V	96.1	Very high	95.5	Very high	17 Å²	17	25.5 Å²	25.5	10%	0.103	13%	0.131	C	C	.	.	H	α-helix	trans	-63.9	-38.7	-178.3	-176.5	0	0	0	0	112	R77 Y78 V79 L139 L177 I223 V261 I268	V75-R77 VanDerWaalsContact C-N 3.3Å; V75-R77 PolarHBondContact O-N 3.33Å; V75-Y78 PolarHBondContact O-N 3.42Å; V75-Y78 VanDerWaalsContact O-N 3.14Å; V75-V79 HydrophobicContact CG1-CG2 4.15Å; V75-V79 PolarHBondContact O-N 3.24Å; V75-V79 VanDerWaalsContact O-N 3.11Å; V75-L139 HydrophobicContact CG1-CD1 4.38Å; V75-L139 HydrophobicContact CG1-CD2 4.49Å; V75-L177 HydrophobicContact CG1-CD2 4.21Å; V75-L177 HydrophobicContact CG2-CD2 4.36Å; V75-I223 HydrophobicContact CG2-CD1 3.69Å; V75-V261 HydrophobicContact CG2-CG2 4.45Å; V75-I268 HydrophobicContact CG1-CD1 4.32Å
76	G	95.4	Very high	95.3	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-57	-39.4	-176.6	0	0	0	0	0	113.9	A71 F74 Y78 V79 C80 L139	A71-G76 CarbonylContact O-C 3.48Å; F74-G76 VanDerWaalsContact C-N 3.34Å; F74-G76 PolarHBondContact O-N 3.11Å; G76-Y78 PolarHBondContact O-N 2.61Å; G76-V79 PolarHBondContact O-N 3.01Å; G76-C80 WeakPolarHBondContact O-CB 3.35Å; G76-C80 PolarHBondContact O-N 3.19Å; G76-C80 PolarHBondContact O-SG 3.22Å; G76-L139 VanDerWaalsContact CA-CD1 3.43Å
77	R	94.8	Very high	95.1	Very high	59 Å²	59	26.5 Å²	26.5	22%	0.223	14%	0.138	C	C	.	.	H	α-helix	trans	-63.3	-42.4	177.6	-65.7	165.4	-163.8	-165.9	16	112.6	A71 T72 G73 V75 C80 N81 R103 L104 E227	A71-R77 PolarHBondContact O-N 3.45Å; T72-R77 PolarHBondContact O-NE 3.49Å; T72-R77 PolarHBondContact O-NH2 2.71Å; G73-R77 WeakPolarHBondContact O-CD 3.44Å; G73-R77 VanDerWaalsContact O-CG 3.24Å; G73-R77 WeakPolarHBondContact O-CG 3.48Å; G73-R77 PolarHBondContact O-N 3.29Å; G73-R77 PolarHBondContact O-NE 3.44Å; V75-R77 VanDerWaalsContact C-N 3.3Å; V75-R77 PolarHBondContact O-N 3.33Å; R77-C80 PolarHBondContact O-N 2.99Å; R77-N81 WeakPolarHBondContact O-CB 3.03Å; R77-N81 PolarHBondContact O-N 3.49Å; R77-R103 VanDerWaalsContact NE-CZ 3.32Å; R77-R103 VanDerWaalsContact NE-NH2 3.11Å; R77-L104 HydrophobicContact CB-CD2 4.3Å; R77-L104 HydrophobicContact CG-CD2 4.01Å; R77-E227 IonicContact CZ-OE2 2.89Å; R77-E227 VanDerWaalsContact CZ-OE2 3.31Å; R77-E227 IonicContact NH1-OE1 3.92Å; R77-E227 PolarHBondContact NH1-OE1 3.37Å; R77-E227 IonicContact NH1-OE2 3.91Å; R77-E227 PolarHBondContact NH1-OE2 3.37Å; R77-E227 IonicContact NH2-OE2 3.36Å
78	Y	96.6	Very high	95	Very high	46 Å²	46	26.5 Å²	26.5	18%	0.18	14%	0.138	C	C	.	.	H	α-helix	trans	-67.8	-39	178.6	-68.7	-88.8	0	0	0	111.6	F74 V75 G76 N81 K82 S226 V261	F74-Y78 AromaticContact CD2-CE2 3.85Å; F74-Y78 HydrophobicContact CD2-CE2 3.85Å; F74-Y78 HydrophobicContact CE2-CD2 4.44Å; F74-Y78 AromaticContact CE2-CE2 3.62Å; F74-Y78 HydrophobicContact CE2-CE2 3.62Å; F74-Y78 HydrophobicContact CZ-CE2 4.48Å; F74-Y78 VanDerWaalsContact O-CD2 3.23Å; F74-Y78 WeakPolarHBondContact O-CD2 3.29Å; V75-Y78 PolarHBondContact O-N 3.42Å; V75-Y78 VanDerWaalsContact O-N 3.14Å; G76-Y78 PolarHBondContact O-N 2.61Å; Y78-N81 PolarHBondContact O-N 3.43Å; Y78-K82 WeakPolarHBondContact O-CG 3.24Å; Y78-K82 PolarHBondContact O-N 2.8Å; Y78-K82 VanDerWaalsContact O-N 3.12Å; Y78-S226 VanDerWaalsContact OH-CB 3.24Å; Y78-S226 WeakPolarHBondContact OH-CB 3.34Å; Y78-S226 PolarHBondContact OH-N 3.09Å; Y78-S226 PolarHBondContact OH-O 3.23Å; Y78-S226 PolarHBondContact OH-OG 3Å; Y78-V261 HydrophobicContact CD1-CG1 3.95Å; Y78-V261 HydrophobicContact CD2-CB 4.31Å; Y78-V261 HydrophobicContact CD2-CG1 3.91Å; Y78-V261 HydrophobicContact CD2-CG2 3.4Å; Y78-V261 VanDerWaalsContact CD2-CG2 3.4Å; Y78-V261 HydrophobicContact CE1-CG1 3.7Å; Y78-V261 HydrophobicContact CE2-CB 4.4Å; Y78-V261 HydrophobicContact CE2-CG1 3.68Å; Y78-V261 HydrophobicContact CE2-CG2 3.84Å; Y78-V261 HydrophobicContact CG-CG1 4.05Å; Y78-V261 HydrophobicContact CG-CG2 3.81Å
79	V	96.9	Very high	94.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.1	-49.4	174.2	174.9	0	0	0	0	110.6	V75 G76 N81 K82 L83 I137 L139 A265 I268	V75-V79 HydrophobicContact CG1-CG2 4.15Å; V75-V79 PolarHBondContact O-N 3.24Å; V75-V79 VanDerWaalsContact O-N 3.11Å; G76-V79 PolarHBondContact O-N 3.01Å; V79-N81 VanDerWaalsContact C-N 3.33Å; V79-N81 PolarHBondContact O-N 3.18Å; V79-K82 PolarHBondContact O-N 2.75Å; V79-L83 HydrophobicContact CG1-CD1 3.78Å; V79-L83 HydrophobicContact CG1-CG 4.28Å; V79-L83 WeakPolarHBondContact O-CB 3.49Å; V79-L83 WeakPolarHBondContact O-CG 3.31Å; V79-L83 PolarHBondContact O-N 2.75Å; V79-I137 HydrophobicContact CG1-CD1 3.97Å; V79-L139 HydrophobicContact CB-CD1 4.39Å; V79-L139 HydrophobicContact CG2-CD1 4.14Å; V79-A265 HydrophobicContact CG2-CB 3.87Å; V79-I268 HydrophobicContact CG1-CG2 4.18Å; V79-I268 HydrophobicContact CG2-CB 4.48Å; V79-I268 HydrophobicContact CG2-CD1 3.65Å; V79-I268 HydrophobicContact CG2-CG2 4.4Å
80	C	96.4	Very high	94.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.9	-41.4	178.5	-64.9	0	0	0	0	112	G76 R77 K82 L83 G84 M90 L92 L104	G76-C80 WeakPolarHBondContact O-CB 3.35Å; G76-C80 PolarHBondContact O-N 3.19Å; G76-C80 PolarHBondContact O-SG 3.22Å; R77-C80 PolarHBondContact O-N 2.99Å; C80-K82 PolarHBondContact O-N 3.23Å; C80-L83 PolarHBondContact O-N 3.41Å; C80-G84 PolarHBondContact O-N 3.08Å; C80-M90 HydrophobicContact CB-SD 3.97Å; C80-M90 WeakPolarHBondContact O-CE 3.35Å; C80-L92 VanDerWaalsContact SG-CD2 3.54Å; C80-L104 HydrophobicContact CB-CD2 4.08Å
81	N	95.8	Very high	94.8	Very high	87 Å²	87	29.4 Å²	29.4	47%	0.465	15%	0.149	S	C	.	.	H	α-helix	trans	-59.6	-46.2	176.8	-172.1	22.1	0	0	0	112	R77 Y78 V79 G84 K85 T107	R77-N81 WeakPolarHBondContact O-CB 3.03Å; R77-N81 PolarHBondContact O-N 3.49Å; Y78-N81 PolarHBondContact O-N 3.43Å; V79-N81 VanDerWaalsContact C-N 3.33Å; V79-N81 PolarHBondContact O-N 3.18Å; N81-G84 PolarHBondContact O-N 2.81Å; N81-K85 WeakPolarHBondContact O-CB 3.33Å; N81-K85 PolarHBondContact O-N 3.09Å; N81-T107 HydrophobicContact CB-CG2 4.22Å
82	K	95.5	Very high	94.9	Very high	35 Å²	35	29.4 Å²	29.4	15%	0.152	15%	0.149	C	C	.	.	H	α-helix	trans	-73.4	-34.1	-179.6	-71.1	-173.2	173.5	-154.4	0	113.3	Y78 V79 C80 S86 S262 A265 Q266 I269	Y78-K82 WeakPolarHBondContact O-CG 3.24Å; Y78-K82 PolarHBondContact O-N 2.8Å; Y78-K82 VanDerWaalsContact O-N 3.12Å; V79-K82 PolarHBondContact O-N 2.75Å; C80-K82 PolarHBondContact O-N 3.23Å; K82-S86 PolarHBondContact O-N 2.81Å; K82-S86 PolarHBondContact O-OG 2.85Å; K82-S262 WeakPolarHBondContact CE-O 3.48Å; K82-S262 WeakPolarHBondContact CE-OG 3.3Å; K82-S262 PolarHBondContact NZ-O 2.96Å; K82-S262 PolarHBondContact NZ-OG 3.19Å; K82-S262 VanDerWaalsContact NZ-OG 3.09Å; K82-A265 HydrophobicContact CD-CB 3.95Å; K82-Q266 VanDerWaalsContact NZ-CB 3.35Å; K82-I269 HydrophobicContact CB-CD1 3.06Å; K82-I269 HydrophobicContact CD-CD1 4.11Å; K82-I269 HydrophobicContact CG-CD1 4.22Å
83	L	95.1	Very high	95	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.016	14%	0.138	C	C	.	.	H	α-helix	trans	-63.1	-46.9	170.8	-73.8	173.7	0	0	0	110.9	A66 V68 V79 C80 K85 S86 G87 T88 M90 I137 I269	A66-L83 HydrophobicContact CB-CD1 4.15Å; V68-L83 HydrophobicContact CG2-CD1 3.88Å; V79-L83 HydrophobicContact CG1-CD1 3.78Å; V79-L83 HydrophobicContact CG1-CG 4.28Å; V79-L83 WeakPolarHBondContact O-CB 3.49Å; V79-L83 WeakPolarHBondContact O-CG 3.31Å; V79-L83 PolarHBondContact O-N 2.75Å; C80-L83 PolarHBondContact O-N 3.41Å; L83-K85 PolarHBondContact O-N 3.35Å; L83-S86 CarbonylContact O-C 3.54Å; L83-S86 WeakPolarHBondContact O-CA 3.16Å; L83-S86 WeakPolarHBondContact O-CB 3.35Å; L83-S86 PolarHBondContact O-N 2.97Å; L83-G87 PolarHBondContact O-N 3.08Å; L83-T88 HydrophobicContact CB-CG2 4.38Å; L83-T88 HydrophobicContact CD2-CG2 3.98Å; L83-T88 WeakPolarHBondContact O-CB 3.06Å; L83-T88 PolarHBondContact O-N 3.07Å; L83-T88 VanDerWaalsContact O-N 3.1Å; L83-T88 PolarHBondContact O-OG1 3.45Å; L83-M90 HydrophobicContact CB-CE 4.06Å; L83-I137 HydrophobicContact CD1-CD1 4.05Å; L83-I269 HydrophobicContact CD2-CD1 4.21Å; L83-I269 HydrophobicContact CD2-CG1 3.84Å; L83-I269 HydrophobicContact CG-CD1 4.09Å; L83-I269 HydrophobicContact CG-CG1 4.1Å
84	G	94.6	Very high	95.1	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-64.2	-39.3	178.2	0	0	0	0	0	112.7	C80 N81 S86 G87 M90 T107	C80-G84 PolarHBondContact O-N 3.08Å; N81-G84 PolarHBondContact O-N 2.81Å; G84-S86 PolarHBondContact O-N 2.98Å; G84-G87 PolarHBondContact O-N 2.84Å; G84-G87 VanDerWaalsContact O-N 3.13Å; G84-M90 VanDerWaalsContact N-CE 3.25Å; G84-T107 CarbonylContact C-O 3.59Å; G84-T107 WeakPolarHBondContact CA-O 3.39Å
85	K	94	Very high	95	Very high	155 Å²	155	32.8 Å²	32.8	67%	0.674	15%	0.148	S	C	*	.	H	α-helix	trans	-61.1	-28	171.8	-171.8	174.9	-178.9	-179.7	0	112.8	G57 R58 N81 L83	G57-K85 CarbonylContact C-O 3.58Å; G57-K85 WeakPolarHBondContact CA-O 3.49Å; R58-K85 PolarHBondContact N-O 3.32Å; N81-K85 WeakPolarHBondContact O-CB 3.33Å; N81-K85 PolarHBondContact O-N 3.09Å; L83-K85 PolarHBondContact O-N 3.35Å
86	S	91.7	Very high	94.6	Very high	33 Å²	33	34 Å²	34	23%	0.231	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-0.9	179.2	-57.8	0	0	0	0	113.8	G57 N62 K82 L83 G84	G57-S86 CarbonylContact O-C 3.34Å; N62-S86 PolarHBondContact ND2-O 2.58Å; K82-S86 PolarHBondContact O-N 2.81Å; K82-S86 PolarHBondContact O-OG 2.85Å; L83-S86 CarbonylContact O-C 3.54Å; L83-S86 WeakPolarHBondContact O-CA 3.16Å; L83-S86 WeakPolarHBondContact O-CB 3.35Å; L83-S86 PolarHBondContact O-N 2.97Å; G84-S86 PolarHBondContact O-N 2.98Å
87	G	91.8	Very high	94.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	29	-176.8	0	0	0	0	0	113.6	G57 S60 F61 N62 L83 G84	G57-G87 VanDerWaalsContact O-CA 3.28Å; G57-G87 WeakPolarHBondContact O-CA 3.46Å; G57-G87 PolarHBondContact O-N 2.87Å; G57-G87 VanDerWaalsContact O-N 3.11Å; S60-G87 CarbonylContact O-C 3.03Å; S60-G87 WeakPolarHBondContact O-CA 3.4Å; S60-G87 VanDerWaalsContact O-O 3.1Å; F61-G87 WeakPolarHBondContact CA-O 3.47Å; N62-G87 PolarHBondContact N-O 3.46Å; L83-G87 PolarHBondContact O-N 3.08Å; G84-G87 PolarHBondContact O-N 2.84Å; G84-G87 VanDerWaalsContact O-N 3.13Å
88	T	93.9	Very high	94.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.204	C	C	.	.			trans	-81.6	134.4	174.1	-51.6	0	0	0	0	109.5	N62 I64 A66 L83 Q112	N62-T88 PolarHBondContact ND2-N 3.33Å; N62-T88 PolarHBondContact ND2-OG1 3.4Å; I64-T88 HydrophobicContact CB-CG2 3.83Å; I64-T88 HydrophobicContact CG2-CG2 3.71Å; I64-T88 WeakPolarHBondContact O-CG2 3.29Å; A66-T88 HydrophobicContact CB-CG2 3.98Å; L83-T88 HydrophobicContact CB-CG2 4.38Å; L83-T88 HydrophobicContact CD2-CG2 3.98Å; L83-T88 WeakPolarHBondContact O-CB 3.06Å; L83-T88 PolarHBondContact O-N 3.07Å; L83-T88 VanDerWaalsContact O-N 3.1Å; L83-T88 PolarHBondContact O-OG1 3.45Å; T88-Q112 PolarHBondContact O-OE1 3.21Å
89	Q	94.5	Very high	93.8	Very high	56 Å²	56	41.6 Å²	41.6	26%	0.262	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	131	164.8	-170.2	171.2	41	0	0	108.5	F61 I64 V65 A66 G111 Q112	F61-Q89 HydrophobicContact CE2-CB 3.97Å; I64-Q89 PolarHBondContact O-N 3.37Å; I64-Q89 VanDerWaalsContact O-N 3.12Å; V65-Q89 CarbonylContact C-O 3.54Å; V65-Q89 VanDerWaalsContact CA-O 3.31Å; V65-Q89 WeakPolarHBondContact CA-O 3.26Å; V65-Q89 HydrophobicContact CG2-CB 4.36Å; A66-Q89 PolarHBondContact N-O 2.91Å; Q89-G111 PolarHBondContact NE2-O 2.88Å; Q89-Q112 CarbonylContact C-O 3.55Å; Q89-Q112 WeakPolarHBondContact CA-O 3.44Å; Q89-Q112 VanDerWaalsContact N-OE1 3.09Å
90	M	95.4	Very high	93.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.8	-177.1	67.3	-170.7	79.6	0	0	111.3	A66 C80 L83 G84 L92 Q112 V113 L114	A66-M90 CarbonylContact O-C 3.54Å; A66-M90 VanDerWaalsContact O-CA 3.24Å; A66-M90 WeakPolarHBondContact O-CA 3.26Å; C80-M90 HydrophobicContact CB-SD 3.97Å; C80-M90 WeakPolarHBondContact O-CE 3.35Å; L83-M90 HydrophobicContact CB-CE 4.06Å; G84-M90 VanDerWaalsContact N-CE 3.25Å; M90-L92 HydrophobicContact CB-CD2 4.02Å; M90-L92 HydrophobicContact CG-CD1 4.33Å; M90-L92 HydrophobicContact CG-CD2 3.87Å; M90-L92 HydrophobicContact CG-CG 4.01Å; M90-L92 HydrophobicContact SD-CD1 4.17Å; M90-L92 HydrophobicContact SD-CD2 4.03Å; M90-L92 HydrophobicContact SD-CG 4.37Å; M90-Q112 PolarHBondContact N-O 2.79Å; M90-V113 HydrophobicContact CE-CG2 4.27Å; M90-V113 HydrophobicContact CG-CB 4.32Å; M90-V113 HydrophobicContact CG-CG1 4.21Å; M90-V113 HydrophobicContact CG-CG2 4.05Å; M90-V113 HydrophobicContact SD-CG1 4.44Å; M90-V113 HydrophobicContact SD-CG2 3.98Å; M90-L114 PolarHBondContact O-N 3.34Å
91	I	96.3	Very high	93.2	Very high	20 Å²	20	45.5 Å²	45.5	10%	0.103	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	120.3	168.9	-58	169.8	0	0	0	106.1	V65 A66 T67 V68 P93 L114 H116	V65-I91 HydrophobicContact CG1-CD1 4.22Å; A66-I91 PolarHBondContact O-N 3.22Å; T67-I91 WeakPolarHBondContact CA-O 3.31Å; V68-I91 PolarHBondContact N-O 3.1Å; I91-P93 VanDerWaalsContact C-CD 3.42Å; I91-P93 WeakPolarHBondContact O-CD 3.21Å; I91-L114 CarbonylContact C-O 3.59Å; I91-L114 WeakPolarHBondContact CA-O 3.39Å; I91-L114 HydrophobicContact CG1-CB 4.49Å; I91-L114 HydrophobicContact CG1-CD1 4.4Å; I91-H116 HydrophobicContact CG2-CB 4.32Å
92	L	96.8	Very high	92.9	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	85.9	-174.4	-56.9	-172	0	0	0	108.8	V68 A71 C80 M90 Y94 L104 V113 L114 F115 H116	V68-L92 HydrophobicContact CB-CD2 4.01Å; V68-L92 HydrophobicContact CG2-CD2 4.3Å; A71-L92 HydrophobicContact CB-CB 4.35Å; A71-L92 HydrophobicContact CB-CD2 3.86Å; C80-L92 VanDerWaalsContact SG-CD2 3.54Å; M90-L92 HydrophobicContact CB-CD2 4.02Å; M90-L92 HydrophobicContact CG-CD1 4.33Å; M90-L92 HydrophobicContact CG-CD2 3.87Å; M90-L92 HydrophobicContact CG-CG 4.01Å; M90-L92 HydrophobicContact SD-CD1 4.17Å; M90-L92 HydrophobicContact SD-CD2 4.03Å; M90-L92 HydrophobicContact SD-CG 4.37Å; L92-Y94 PolarHBondContact O-N 3.08Å; L92-L104 HydrophobicContact CD1-CB 3.78Å; L92-L104 HydrophobicContact CD1-CD1 3.92Å; L92-L104 HydrophobicContact CD1-CG 4.41Å; L92-V113 HydrophobicContact CD1-CG1 3.5Å; L92-V113 HydrophobicContact CG-CG1 4.17Å; L92-L114 PolarHBondContact N-O 3.22Å; L92-F115 HydrophobicContact CB-CD1 4Å; L92-F115 HydrophobicContact CB-CE1 4.24Å; L92-F115 HydrophobicContact CD1-CD1 4.35Å; L92-F115 HydrophobicContact CD1-CE1 3.76Å; L92-F115 HydrophobicContact CD1-CZ 4.41Å; L92-H116 PolarHBondContact O-N 3.25Å; L92-H116 VanDerWaalsContact O-N 3.16Å
93	P	96.1	Very high	92.7	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	124.7	171.4	28.3	-35.2	0	0	0	109.1	T67 V68 F69 I91 H116 Y118 A129	T67-P93 HydrophobicContact CG2-CG 3.75Å; V68-P93 WeakPolarHBondContact O-CD 3.47Å; F69-P93 HydrophobicContact CB-CG 4.48Å; F69-P93 HydrophobicContact CD1-CB 3.9Å; F69-P93 HydrophobicContact CD1-CG 3.37Å; F69-P93 HydrophobicContact CD2-CG 4.47Å; F69-P93 HydrophobicContact CE1-CB 3.82Å; F69-P93 HydrophobicContact CE1-CG 3.56Å; F69-P93 HydrophobicContact CG-CG 3.87Å; F69-P93 HydrophobicContact CZ-CG 4.19Å; I91-P93 VanDerWaalsContact C-CD 3.42Å; I91-P93 WeakPolarHBondContact O-CD 3.21Å; P93-H116 CarbonylContact C-O 3.51Å; P93-H116 WeakPolarHBondContact CA-O 3.42Å; P93-Y118 VanDerWaalsContact C-CD1 3.49Å; P93-Y118 VanDerWaalsContact C-CE1 3.47Å; P93-Y118 HydrophobicContact CB-CD1 3.43Å; P93-Y118 VanDerWaalsContact CB-CD1 3.43Å; P93-Y118 HydrophobicContact CB-CE1 3.74Å; P93-Y118 HydrophobicContact CB-CG 3.91Å; P93-Y118 WeakPolarHBondContact O-CE1 3.42Å; P93-A129 HydrophobicContact CB-CB 4.21Å
94	Y	95.2	Very high	92.6	Very high	24 Å²	24	48.7 Å²	48.7	9%	0.094	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	157.2	178.6	73.7	-77.1	0	0	0	111.9	L92 D98 V101 F115 H116 F117 Y118	L92-Y94 PolarHBondContact O-N 3.08Å; Y94-D98 WeakPolarHBondContact CE2-OD1 3.43Å; Y94-D98 PolarHBondContact OH-OD1 3.41Å; Y94-V101 HydrophobicContact CD1-CG1 4.07Å; Y94-V101 HydrophobicContact CD1-CG2 4.31Å; Y94-V101 HydrophobicContact CD2-CG1 3.91Å; Y94-V101 HydrophobicContact CD2-CG2 4.11Å; Y94-V101 HydrophobicContact CE1-CG2 4.47Å; Y94-V101 HydrophobicContact CE2-CG2 4.27Å; Y94-V101 HydrophobicContact CG-CB 4.46Å; Y94-V101 HydrophobicContact CG-CG1 3.5Å; Y94-V101 VanDerWaalsContact CG-CG1 3.5Å; Y94-V101 HydrophobicContact CG-CG2 4.17Å; Y94-F115 HydrophobicContact CD1-CB 4.08Å; Y94-F115 HydrophobicContact CE1-CB 3.75Å; Y94-H116 VanDerWaalsContact CD1-O 3.23Å; Y94-H116 WeakPolarHBondContact CD1-O 3.41Å; Y94-H116 PolarHBondContact N-O 3.13Å; Y94-F117 HydrophobicContact CE2-CD2 4.4Å; Y94-Y118 WeakPolarHBondContact O-CD1 3.4Å; Y94-Y118 PolarHBondContact O-N 2.98Å
95	R	91.4	Very high	92.5	Very high	150 Å²	150	54.7 Å²	54.7	57%	0.566	28%	0.275	S	S	*	.			trans	-128	134.9	175.8	-173.1	-169.5	74.9	84.4	2.4	107.6
96	G	87.8	Confident	92.5	Very high	43 Å²	43	52.2 Å²	52.2	44%	0.443	27%	0.272	S	S	.	.	S	Bend	trans	109.3	-144.6	-177.6	0	0	0	0	0	110.6
97	D	91.4	Very high	92.6	Very high	101 Å²	101	51.4 Å²	51.4	54%	0.54	27%	0.266	S	S	.	.			trans	-92.9	154.2	-173.7	-167.6	19.3	0	0	0	112.3	S99 D100	D97-S99 PolarHBondContact O-N 3.43Å; D97-S99 PolarHBondContact OD2-OG 3.45Å; D97-D100 PolarHBondContact O-N 2.97Å
98	D	89.8	Confident	92.6	Very high	99 Å²	99	51.6 Å²	51.6	53%	0.529	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-65	-27.1	-179	-73.6	19.5	0	0	0	111.6	Y94 D100 V101 I102	Y94-D98 WeakPolarHBondContact CE2-OD1 3.43Å; Y94-D98 PolarHBondContact OH-OD1 3.41Å; D98-D100 PolarHBondContact O-N 3.5Å; D98-V101 WeakPolarHBondContact O-CG2 3.29Å; D98-V101 PolarHBondContact O-N 3.15Å; D98-I102 PolarHBondContact O-N 2.86Å; D98-I102 VanDerWaalsContact O-N 3.15Å
99	S	90.3	Very high	92.6	Very high	65 Å²	65	53.9 Å²	53.9	46%	0.455	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-60	-31.1	176.6	65.7	0	0	0	0	112.7	D97 V101 I102	D97-S99 PolarHBondContact O-N 3.43Å; D97-S99 PolarHBondContact OD2-OG 3.45Å; S99-V101 VanDerWaalsContact C-N 3.29Å; S99-V101 PolarHBondContact O-N 3.41Å; S99-I102 WeakPolarHBondContact O-CG2 3.19Å
100	D	87.5	Confident	92.5	Very high	76 Å²	76	59 Å²	59	41%	0.406	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-72.6	-25.4	-177.6	-77.4	-28	0	0	0	112.6	T72 D97 D98 R103	T72-D100 HydrophobicContact CG2-CB 4.5Å; D97-D100 PolarHBondContact O-N 2.97Å; D98-D100 PolarHBondContact O-N 3.5Å; D100-R103 PolarHBondContact O-NH1 3.43Å; D100-R103 PolarHBondContact O-NH2 3.48Å
101	V	91.3	Very high	92.3	Very high	6 Å²	6	61.3 Å²	61.3	4%	0.036	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-15	-179.3	-72.2	0	0	0	0	113.6	T72 Y94 D98 S99 R103 L104 F115	T72-V101 HydrophobicContact CG2-CG1 3.35Å; Y94-V101 HydrophobicContact CD1-CG1 4.07Å; Y94-V101 HydrophobicContact CD1-CG2 4.31Å; Y94-V101 HydrophobicContact CD2-CG1 3.91Å; Y94-V101 HydrophobicContact CD2-CG2 4.11Å; Y94-V101 HydrophobicContact CE1-CG2 4.47Å; Y94-V101 HydrophobicContact CE2-CG2 4.27Å; Y94-V101 HydrophobicContact CG-CB 4.46Å; Y94-V101 HydrophobicContact CG-CG1 3.5Å; Y94-V101 VanDerWaalsContact CG-CG1 3.5Å; Y94-V101 HydrophobicContact CG-CG2 4.17Å; D98-V101 WeakPolarHBondContact O-CG2 3.29Å; D98-V101 PolarHBondContact O-N 3.15Å; S99-V101 VanDerWaalsContact C-N 3.29Å; S99-V101 PolarHBondContact O-N 3.41Å; V101-R103 PolarHBondContact O-N 3.01Å; V101-R103 VanDerWaalsContact O-N 3.09Å; V101-L104 WeakPolarHBondContact O-CA 3.33Å; V101-L104 VanDerWaalsContact O-CB 3.29Å; V101-L104 WeakPolarHBondContact O-CB 3.42Å; V101-L104 PolarHBondContact O-N 2.96Å; V101-F115 HydrophobicContact CB-CD1 3.71Å; V101-F115 HydrophobicContact CB-CE1 3.64Å; V101-F115 HydrophobicContact CG1-CD1 4.21Å; V101-F115 HydrophobicContact CG1-CE1 4.4Å; V101-F115 HydrophobicContact CG2-CD1 3.83Å; V101-F115 HydrophobicContact CG2-CE1 4.1Å; V101-F115 HydrophobicContact CG2-CG 4.39Å
102	I	90.9	Very high	92.1	Very high	103 Å²	103	61.8 Å²	61.8	53%	0.528	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-56.7	-35.6	-170.7	-155.4	167.7	0	0	0	113.3	D98 S99 L104 K105	D98-I102 PolarHBondContact O-N 2.86Å; D98-I102 VanDerWaalsContact O-N 3.15Å; S99-I102 WeakPolarHBondContact O-CG2 3.19Å; I102-L104 PolarHBondContact O-N 3.22Å; I102-K105 HydrophobicContact CG1-CD 4.31Å; I102-K105 VanDerWaalsContact O-CB 3.28Å; I102-K105 WeakPolarHBondContact O-CB 3.15Å; I102-K105 PolarHBondContact O-N 2.89Å
103	R	91.6	Very high	92.1	Very high	86 Å²	86	62.8 Å²	62.8	33%	0.325	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-64.2	-19.4	175.9	66.1	178.1	170.6	-91.8	-19.5	113.9	T72 R77 D100 V101 K105 V106	T72-R103 PolarHBondContact O-NH2 3.25Å; T72-R103 VanDerWaalsContact O-NH2 3.12Å; R77-R103 VanDerWaalsContact NE-CZ 3.32Å; R77-R103 VanDerWaalsContact NE-NH2 3.11Å; D100-R103 PolarHBondContact O-NH1 3.43Å; D100-R103 PolarHBondContact O-NH2 3.48Å; V101-R103 PolarHBondContact O-N 3.01Å; V101-R103 VanDerWaalsContact O-N 3.09Å; R103-K105 VanDerWaalsContact C-N 3.31Å; R103-V106 WeakPolarHBondContact O-CG2 3.45Å
104	L	93.3	Very high	92	Very high	3 Å²	3	66.3 Å²	66.3	2%	0.016	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-80.8	-14.2	175.7	-61.4	172.3	0	0	0	111.4	A71 R77 C80 L92 V101 I102 V106 T107 F115	A71-L104 HydrophobicContact CB-CD1 4.03Å; R77-L104 HydrophobicContact CB-CD2 4.3Å; R77-L104 HydrophobicContact CG-CD2 4.01Å; C80-L104 HydrophobicContact CB-CD2 4.08Å; L92-L104 HydrophobicContact CD1-CB 3.78Å; L92-L104 HydrophobicContact CD1-CD1 3.92Å; L92-L104 HydrophobicContact CD1-CG 4.41Å; V101-L104 WeakPolarHBondContact O-CA 3.33Å; V101-L104 VanDerWaalsContact O-CB 3.29Å; V101-L104 WeakPolarHBondContact O-CB 3.42Å; V101-L104 PolarHBondContact O-N 2.96Å; I102-L104 PolarHBondContact O-N 3.22Å; L104-V106 PolarHBondContact O-N 3.15Å; L104-T107 HydrophobicContact CD2-CG2 4.35Å; L104-T107 PolarHBondContact O-N 2.83Å; L104-T107 PolarHBondContact O-OG1 2.85Å; L104-F115 HydrophobicContact CB-CE1 4.1Å; L104-F115 HydrophobicContact CB-CZ 4.31Å
105	K	92.5	Very high	92	Very high	127 Å²	127	67.9 Å²	67.9	55%	0.552	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-57.5	-35.8	173.1	-83.4	178.3	170.7	173	0	112	I102 R103 T107 F115	I102-K105 HydrophobicContact CG1-CD 4.31Å; I102-K105 VanDerWaalsContact O-CB 3.28Å; I102-K105 WeakPolarHBondContact O-CB 3.15Å; I102-K105 PolarHBondContact O-N 2.89Å; R103-K105 VanDerWaalsContact C-N 3.31Å; K105-T107 VanDerWaalsContact C-N 3.3Å; K105-T107 PolarHBondContact O-N 3.44Å; K105-F115 HydrophobicContact CB-CE2 4.5Å; K105-F115 HydrophobicContact CB-CZ 4.41Å; K105-F115 HydrophobicContact CD-CE2 4.1Å; K105-F115 HydrophobicContact CG-CD2 4.48Å; K105-F115 HydrophobicContact CG-CE2 3.3Å; K105-F115 HydrophobicContact CG-CZ 3.56Å
106	V	93.2	Very high	92.2	Very high	103 Å²	103	63.5 Å²	63.5	62%	0.624	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-79.2	-10.2	-175.1	-60.9	0	0	0	0	113.5	R58 R103 L104	R58-V106 VanDerWaalsContact CZ-O 3.29Å; R58-V106 PolarHBondContact NH1-O 3.37Å; R58-V106 PolarHBondContact NH2-O 3.16Å; R103-V106 WeakPolarHBondContact O-CG2 3.45Å; L104-V106 PolarHBondContact O-N 3.15Å
107	T	93	Very high	92.5	Very high	16 Å²	16	67.1 Å²	67.1	10%	0.098	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-75.4	-26.5	-175.3	57.1	0	0	0	0	113.6	R58 N81 G84 L104 K105	R58-T107 PolarHBondContact NH1-O 3.06Å; N81-T107 HydrophobicContact CB-CG2 4.22Å; G84-T107 CarbonylContact C-O 3.59Å; G84-T107 WeakPolarHBondContact CA-O 3.39Å; L104-T107 HydrophobicContact CD2-CG2 4.35Å; L104-T107 PolarHBondContact O-N 2.83Å; L104-T107 PolarHBondContact O-OG1 2.85Å; K105-T107 VanDerWaalsContact C-N 3.3Å; K105-T107 PolarHBondContact O-N 3.44Å
108	G	91.8	Very high	92.7	Very high	3 Å²	3	63.1 Å²	63.1	3%	0.031	33%	0.333	C	S	.	.	S	Bend	trans	-122.1	167	179.7	0	0	0	0	0	112.9	R58	R58-G108 PolarHBondContact NH2-O 3.28Å
109	D	94.6	Very high	92.9	Very high	49 Å²	49	61 Å²	61	26%	0.262	32%	0.322	S	S	.	.			trans	-72.1	172.9	172.6	-152.1	-5.6	0	0	0	111.9	R58 S59 G111 Q112	R58-D109 HydrophobicContact CG-CB 4.31Å; S59-D109 WeakPolarHBondContact CA-OD2 3.04Å; S59-D109 WeakPolarHBondContact CB-OD2 3.28Å; S59-D109 PolarHBondContact OG-OD2 3.4Å; D109-G111 PolarHBondContact O-N 2.96Å; D109-Q112 HydrophobicContact CB-CG 4.09Å; D109-Q112 WeakPolarHBondContact O-CB 3.29Å; D109-Q112 PolarHBondContact O-N 2.79Å; D109-Q112 VanDerWaalsContact O-N 3.08Å
110	L	92.9	Very high	93	Very high	162 Å²	162	58.5 Å²	58.5	85%	0.848	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	133.3	177.8	-79.9	75.2	0	0	0	110.8	Q112	L110-Q112 PolarHBondContact O-N 3.29Å
111	G	90.6	Very high	93.2	Very high	50 Å²	50	59.8 Å²	59.8	52%	0.515	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	-7.8	-179	0	0	0	0	0	115.4	Q89 D109	Q89-G111 PolarHBondContact NE2-O 2.88Å; D109-G111 PolarHBondContact O-N 2.96Å
112	Q	92.7	Very high	93.4	Very high	29 Å²	29	62.7 Å²	62.7	14%	0.136	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-30.8	177.7	-62.6	-63.9	-22.3	0	0	112.5	T88 Q89 M90 D109 L110	T88-Q112 PolarHBondContact O-OE1 3.21Å; Q89-Q112 CarbonylContact C-O 3.55Å; Q89-Q112 WeakPolarHBondContact CA-O 3.44Å; Q89-Q112 VanDerWaalsContact N-OE1 3.09Å; M90-Q112 PolarHBondContact N-O 2.79Å; D109-Q112 HydrophobicContact CB-CG 4.09Å; D109-Q112 WeakPolarHBondContact O-CB 3.29Å; D109-Q112 PolarHBondContact O-N 2.79Å; D109-Q112 VanDerWaalsContact O-N 3.08Å; L110-Q112 PolarHBondContact O-N 3.29Å
113	V	95.6	Very high	93.6	Very high	22 Å²	22	60.4 Å²	60.4	13%	0.133	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	114.2	-178.5	-172.3	0	0	0	0	110	M90 L92 F115	M90-V113 HydrophobicContact CE-CG2 4.27Å; M90-V113 HydrophobicContact CG-CB 4.32Å; M90-V113 HydrophobicContact CG-CG1 4.21Å; M90-V113 HydrophobicContact CG-CG2 4.05Å; M90-V113 HydrophobicContact SD-CG1 4.44Å; M90-V113 HydrophobicContact SD-CG2 3.98Å; L92-V113 HydrophobicContact CD1-CG1 3.5Å; L92-V113 HydrophobicContact CG-CG1 4.17Å; V113-F115 HydrophobicContact CG1-CE1 4.06Å; V113-F115 HydrophobicContact CG1-CE2 3.93Å; V113-F115 HydrophobicContact CG1-CZ 3.54Å
114	L	94.9	Very high	93.7	Very high	76 Å²	76	58.8 Å²	58.8	40%	0.398	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.7	178.3	-58.9	176.4	0	0	0	109.4	M90 I91 L92	M90-L114 PolarHBondContact O-N 3.34Å; I91-L114 CarbonylContact C-O 3.59Å; I91-L114 WeakPolarHBondContact CA-O 3.39Å; I91-L114 HydrophobicContact CG1-CB 4.49Å; I91-L114 HydrophobicContact CG1-CD1 4.4Å; L92-L114 PolarHBondContact N-O 3.22Å
115	F	95.4	Very high	93.8	Very high	57 Å²	57	59.2 Å²	59.2	25%	0.25	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	139.2	175.6	-58.5	-77.4	0	0	0	109.9	L92 Y94 V101 L104 K105 V113	L92-F115 HydrophobicContact CB-CD1 4Å; L92-F115 HydrophobicContact CB-CE1 4.24Å; L92-F115 HydrophobicContact CD1-CD1 4.35Å; L92-F115 HydrophobicContact CD1-CE1 3.76Å; L92-F115 HydrophobicContact CD1-CZ 4.41Å; Y94-F115 HydrophobicContact CD1-CB 4.08Å; Y94-F115 HydrophobicContact CE1-CB 3.75Å; V101-F115 HydrophobicContact CB-CD1 3.71Å; V101-F115 HydrophobicContact CB-CE1 3.64Å; V101-F115 HydrophobicContact CG1-CD1 4.21Å; V101-F115 HydrophobicContact CG1-CE1 4.4Å; V101-F115 HydrophobicContact CG2-CD1 3.83Å; V101-F115 HydrophobicContact CG2-CE1 4.1Å; V101-F115 HydrophobicContact CG2-CG 4.39Å; L104-F115 HydrophobicContact CB-CE1 4.1Å; L104-F115 HydrophobicContact CB-CZ 4.31Å; K105-F115 HydrophobicContact CB-CE2 4.5Å; K105-F115 HydrophobicContact CB-CZ 4.41Å; K105-F115 HydrophobicContact CD-CE2 4.1Å; K105-F115 HydrophobicContact CG-CD2 4.48Å; K105-F115 HydrophobicContact CG-CE2 3.3Å; K105-F115 HydrophobicContact CG-CZ 3.56Å; V113-F115 HydrophobicContact CG1-CE1 4.06Å; V113-F115 HydrophobicContact CG1-CE2 3.93Å; V113-F115 HydrophobicContact CG1-CZ 3.54Å
116	H	94.3	Very high	94	Very high	58 Å²	58	53.1 Å²	53.1	27%	0.269	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	128	176.1	-168.7	76.1	0	0	0	109.1	I91 L92 P93 Y94 S125	I91-H116 HydrophobicContact CG2-CB 4.32Å; L92-H116 PolarHBondContact O-N 3.25Å; L92-H116 VanDerWaalsContact O-N 3.16Å; P93-H116 CarbonylContact C-O 3.51Å; P93-H116 WeakPolarHBondContact CA-O 3.42Å; Y94-H116 VanDerWaalsContact CD1-O 3.23Å; Y94-H116 WeakPolarHBondContact CD1-O 3.41Å; Y94-H116 PolarHBondContact N-O 3.13Å; H116-S125 PolarHBondContact NE2-O 3.21Å
117	F	94.7	Very high	94	Very high	119 Å²	119	54.3 Å²	54.3	52%	0.522	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	134.7	173.5	179.1	-93.6	0	0	0	109.1	Y94	Y94-F117 HydrophobicContact CE2-CD2 4.4Å
118	Y	94.9	Very high	94.1	Very high	16 Å²	16	58.1 Å²	58.1	6%	0.063	31%	0.309	C	S	.	.			trans	-145.1	159.8	175.7	87.5	-67.9	0	0	0	112.6	F69 P93 Y94 L120 I126	F69-Y118 HydrophobicContact CD1-CD2 4.27Å; F69-Y118 HydrophobicContact CD1-CE1 4.32Å; F69-Y118 AromaticContact CD1-CE2 3.7Å; F69-Y118 HydrophobicContact CD1-CE2 3.7Å; F69-Y118 AromaticContact CD1-CZ 3.71Å; F69-Y118 AromaticContact CE1-CD2 4Å; F69-Y118 HydrophobicContact CE1-CD2 4Å; F69-Y118 AromaticContact CE1-CE2 3.87Å; F69-Y118 HydrophobicContact CE1-CE2 3.87Å; F69-Y118 HydrophobicContact CE1-CG 4.5Å; P93-Y118 VanDerWaalsContact C-CD1 3.49Å; P93-Y118 VanDerWaalsContact C-CE1 3.47Å; P93-Y118 HydrophobicContact CB-CD1 3.43Å; P93-Y118 VanDerWaalsContact CB-CD1 3.43Å; P93-Y118 HydrophobicContact CB-CE1 3.74Å; P93-Y118 HydrophobicContact CB-CG 3.91Å; P93-Y118 WeakPolarHBondContact O-CE1 3.42Å; Y94-Y118 WeakPolarHBondContact O-CD1 3.4Å; Y94-Y118 PolarHBondContact O-N 2.98Å; Y118-L120 HydrophobicContact CE2-CD1 4.48Å; Y118-I126 HydrophobicContact CD2-CG1 4.09Å
119	N	94.5	Very high	94.2	Very high	54 Å²	54	58 Å²	58	29%	0.289	31%	0.308	S	S	.	.			trans	-120.5	141	168.3	-169.7	8.2	0	0	0	110.1	E121 D122 S125	N119-E121 PolarHBondContact O-N 2.88Å; N119-D122 HydrophobicContact CB-CB 4.23Å; N119-D122 PolarHBondContact O-N 2.93Å; N119-S125 PolarHBondContact N-OG 3.43Å; N119-S125 VanDerWaalsContact N-OG 3.14Å; N119-S125 PolarHBondContact O-OG 2.86Å
120	L	92.8	Very high	94.2	Very high	13 Å²	13	55.8 Å²	55.8	7%	0.068	30%	0.296	C	S	.	.	S	Bend	trans	-69.7	-23.2	-177.8	-169.7	63.7	0	0	0	112.8	Y118 V140 V154 R161 I162	Y118-L120 HydrophobicContact CE2-CD1 4.48Å; L120-V140 HydrophobicContact CD2-CG1 4.45Å; L120-V154 HydrophobicContact CD2-CG1 4.47Å; L120-R161 PolarHBondContact O-NH1 3.26Å; L120-I162 HydrophobicContact CD1-CD1 3.84Å; L120-I162 HydrophobicContact CD1-CG1 4.29Å
121	E	92.5	Very high	94.1	Very high	104 Å²	104	53.1 Å²	53.1	49%	0.486	28%	0.277	S	S	.	.	S	Bend	trans	-84.8	-23.3	177.1	-64.7	-176.7	148.2	0	0	113.3	N119 P123 F149	N119-E121 PolarHBondContact O-N 2.88Å; E121-P123 VanDerWaalsContact O-CD 3.27Å; E121-P123 WeakPolarHBondContact O-CD 3.35Å; E121-F149 HydrophobicContact CG-CE1 3.88Å; E121-F149 HydrophobicContact CG-CZ 4.37Å
122	D	94.8	Very high	94	Very high	67 Å²	67	57 Å²	57	36%	0.358	28%	0.282	S	S	.	.			trans	-94.1	107	-178.2	174.6	31	0	0	0	111.1	N119 A124 S125 I126	N119-D122 HydrophobicContact CB-CB 4.23Å; N119-D122 PolarHBondContact O-N 2.93Å; D122-A124 PolarHBondContact O-N 3.36Å; D122-A124 WeakPolarHBondContact OD1-CB 3.44Å; D122-A124 PolarHBondContact OD1-N 3.43Å; D122-A124 VanDerWaalsContact OD1-N 3.08Å; D122-S125 PolarHBondContact O-OG 3.12Å; D122-S125 VanDerWaalsContact OD2-CB 3.24Å; D122-S125 WeakPolarHBondContact OD2-CB 3.07Å; D122-S125 PolarHBondContact OD2-N 3.33Å; D122-S125 PolarHBondContact OD2-OG 2.76Å; D122-I126 PolarHBondContact O-N 3.14Å
123	P	94.4	Very high	94	Very high	55 Å²	55	56.1 Å²	56.1	36%	0.357	28%	0.279	S	S	.	.	H	α-helix	trans	-67.4	-23.5	179.9	29.6	-35.6	0	0	0	113.1	E121 I126 R127 I165	E121-P123 VanDerWaalsContact O-CD 3.27Å; E121-P123 WeakPolarHBondContact O-CD 3.35Å; P123-I126 PolarHBondContact O-N 3.41Å; P123-R127 WeakPolarHBondContact O-CG 3.49Å; P123-R127 PolarHBondContact O-N 3.1Å; P123-I165 HydrophobicContact CB-CD1 3.86Å
124	A	94.8	Very high	93.9	Very high	51 Å²	51	55.8 Å²	55.8	42%	0.421	28%	0.277	S	S	.	.	H	α-helix	trans	-67.9	-49.8	179.3	0	0	0	0	0	110.7	D122 I126 R127 D128	D122-A124 PolarHBondContact O-N 3.36Å; D122-A124 WeakPolarHBondContact OD1-CB 3.44Å; D122-A124 PolarHBondContact OD1-N 3.43Å; D122-A124 VanDerWaalsContact OD1-N 3.08Å; A124-I126 PolarHBondContact O-N 2.61Å; A124-R127 WeakPolarHBondContact O-CB 3.35Å; A124-R127 PolarHBondContact O-N 3.46Å; A124-D128 PolarHBondContact O-N 2.9Å
125	S	95	Very high	93.9	Very high	12 Å²	12	52.4 Å²	52.4	8%	0.084	26%	0.259	C	S	.	.	H	α-helix	trans	-58.8	-35.4	175.4	70.1	0	0	0	0	113.5	H116 N119 D122 A129	H116-S125 PolarHBondContact NE2-O 3.21Å; N119-S125 PolarHBondContact N-OG 3.43Å; N119-S125 VanDerWaalsContact N-OG 3.14Å; N119-S125 PolarHBondContact O-OG 2.86Å; D122-S125 PolarHBondContact O-OG 3.12Å; D122-S125 VanDerWaalsContact OD2-CB 3.24Å; D122-S125 WeakPolarHBondContact OD2-CB 3.07Å; D122-S125 PolarHBondContact OD2-N 3.33Å; D122-S125 PolarHBondContact OD2-OG 2.76Å; S125-A129 PolarHBondContact O-N 3.05Å
126	I	95.7	Very high	94	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66	-48.8	174.5	-61.5	170.9	0	0	0	109.4	F69 Y118 D122 P123 A124 D128 A129 V130 I162 I165	F69-I126 HydrophobicContact CE1-CG2 4.34Å; F69-I126 HydrophobicContact CZ-CG2 3.87Å; Y118-I126 HydrophobicContact CD2-CG1 4.09Å; D122-I126 PolarHBondContact O-N 3.14Å; P123-I126 PolarHBondContact O-N 3.41Å; A124-I126 PolarHBondContact O-N 2.61Å; I126-D128 VanDerWaalsContact C-N 3.28Å; I126-D128 PolarHBondContact O-N 3.33Å; I126-A129 WeakPolarHBondContact O-CB 3.24Å; I126-A129 PolarHBondContact O-N 3.33Å; I126-A129 VanDerWaalsContact O-N 3.11Å; I126-V130 HydrophobicContact CG2-CG2 4.11Å; I126-V130 WeakPolarHBondContact O-CG2 3.27Å; I126-V130 PolarHBondContact O-N 3.03Å; I126-V130 VanDerWaalsContact O-N 3.11Å; I126-I162 HydrophobicContact CD1-CG1 4.27Å; I126-I162 HydrophobicContact CG2-CG1 4.35Å; I126-I165 HydrophobicContact CB-CD1 3.79Å; I126-I165 HydrophobicContact CD1-CD1 4.29Å; I126-I165 HydrophobicContact CG2-CB 4.19Å; I126-I165 HydrophobicContact CG2-CD1 3.7Å; I126-I165 HydrophobicContact CG2-CG2 4.02Å
127	R	95.1	Very high	94.1	Very high	127 Å²	127	46.9 Å²	46.9	48%	0.479	23%	0.234	S	C	.	.	H	α-helix	trans	-54.5	-43.8	178.2	-80.4	173.8	177.1	-173.9	1.7	112.3	P123 A124 A129 V130 K131 I165 E168	P123-R127 WeakPolarHBondContact O-CG 3.49Å; P123-R127 PolarHBondContact O-N 3.1Å; A124-R127 WeakPolarHBondContact O-CB 3.35Å; A124-R127 PolarHBondContact O-N 3.46Å; R127-A129 VanDerWaalsContact C-N 3.33Å; R127-A129 PolarHBondContact O-N 3.12Å; R127-V130 PolarHBondContact O-N 3.36Å; R127-K131 PolarHBondContact O-N 3.11Å; R127-I165 HydrophobicContact CB-CG2 4.23Å; R127-I165 HydrophobicContact CG-CD1 4.4Å; R127-I165 HydrophobicContact CG-CG1 4.32Å; R127-I165 HydrophobicContact CG-CG2 3.41Å; R127-I165 VanDerWaalsContact CG-CG2 3.41Å; R127-E168 IonicContact CZ-OE2 3.41Å; R127-E168 IonicContact NE-OE2 2.92Å; R127-E168 PolarHBondContact NE-OE2 3.3Å; R127-E168 IonicContact NH2-OE1 2.71Å; R127-E168 IonicContact NH2-OE2 3.99Å; R127-E168 PolarHBondContact NH2-OE2 3.03Å
128	D	93.9	Very high	94.3	Very high	97 Å²	97	41.3 Å²	41.3	52%	0.519	21%	0.21	S	C	.	.	H	α-helix	trans	-63.9	-38.2	179.3	-70.8	-22.7	0	0	0	112.1	A124 I126	A124-D128 PolarHBondContact O-N 2.9Å; I126-D128 VanDerWaalsContact C-N 3.28Å; I126-D128 PolarHBondContact O-N 3.33Å
129	A	94.9	Very high	94.4	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-64.5	-40.9	174.4	0	0	0	0	0	112.6	T67 F69 P93 S125 I126 R127	T67-A129 HydrophobicContact CG2-CB 4.45Å; T67-A129 PolarHBondContact OG1-O 3.3Å; T67-A129 VanDerWaalsContact OG1-O 3.09Å; F69-A129 HydrophobicContact CZ-CB 4.35Å; P93-A129 HydrophobicContact CB-CB 4.21Å; S125-A129 PolarHBondContact O-N 3.05Å; I126-A129 WeakPolarHBondContact O-CB 3.24Å; I126-A129 PolarHBondContact O-N 3.33Å; I126-A129 VanDerWaalsContact O-N 3.11Å; R127-A129 VanDerWaalsContact C-N 3.33Å; R127-A129 PolarHBondContact O-N 3.12Å
130	V	94.6	Very high	94.5	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-87.5	-15.9	-173.7	-111.3	0	0	0	0	115.4	T67 F69 I126 R127 H132 S133 V136 I165 V171	T67-V130 HydrophobicContact CG2-CG1 4.41Å; F69-V130 HydrophobicContact CE2-CG1 4.43Å; I126-V130 HydrophobicContact CG2-CG2 4.11Å; I126-V130 WeakPolarHBondContact O-CG2 3.27Å; I126-V130 PolarHBondContact O-N 3.03Å; I126-V130 VanDerWaalsContact O-N 3.11Å; R127-V130 PolarHBondContact O-N 3.36Å; V130-H132 PolarHBondContact O-N 3.2Å; V130-S133 WeakPolarHBondContact O-CB 3.48Å; V130-S133 PolarHBondContact O-N 3.33Å; V130-V136 HydrophobicContact CG1-CB 4.39Å; V130-V136 HydrophobicContact CG1-CG1 4.32Å; V130-V136 HydrophobicContact CG1-CG2 3.16Å; V130-I165 HydrophobicContact CG2-CG2 3.69Å; V130-V171 HydrophobicContact CG1-CG2 4.24Å
131	K	89.8	Confident	94.5	Very high	106 Å²	106	41.4 Å²	41.4	46%	0.461	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-34.4	-170.3	-175.2	177.6	-179.9	174.7	0	116	P40 R127	P40-K131 VanDerWaalsContact CG-NZ 3.27Å; R127-K131 PolarHBondContact O-N 3.11Å
132	H	89.3	Confident	94.4	Very high	131 Å²	131	40.7 Å²	40.7	61%	0.606	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.7	12.8	-176	-61.6	-60.8	0	0	0	113.8	V65 V130	V65-H132 WeakPolarHBondContact CG1-O 3.39Å; V130-H132 PolarHBondContact O-N 3.2Å
133	S	92.7	Very high	94.2	Very high	11 Å²	11	38.8 Å²	38.8	8%	0.077	20%	0.204	C	C	.	.			trans	-94.9	138.8	-175	-60	0	0	0	0	112.4	V65 T67 V130	V65-S133 CarbonylContact O-C 3.53Å; V65-S133 VanDerWaalsContact O-CA 3.3Å; V65-S133 WeakPolarHBondContact O-CA 3.48Å; V65-S133 WeakPolarHBondContact O-CB 3.23Å; T67-S133 WeakPolarHBondContact CB-OG 3.19Å; T67-S133 PolarHBondContact OG1-OG 3.09Å; V130-S133 WeakPolarHBondContact O-CB 3.48Å; V130-S133 PolarHBondContact O-N 3.33Å
134	N	92.4	Very high	93.9	Very high	16 Å²	16	37.1 Å²	37.1	9%	0.086	19%	0.191	C	C	.	.	S	Bend	trans	-94.2	-26.9	169.1	67.9	-19.6	0	0	0	112.3	P48 G63 I64 V65 V171 E172 R173	P48-N134 HydrophobicContact CG-CB 4.36Å; G63-N134 PolarHBondContact O-ND2 2.77Å; I64-N134 WeakPolarHBondContact CG2-OD1 3.36Å; V65-N134 VanDerWaalsContact C-OD1 3.27Å; V65-N134 WeakPolarHBondContact CA-OD1 3.39Å; V65-N134 PolarHBondContact N-OD1 2.75Å; V65-N134 PolarHBondContact O-N 2.77Å; V65-N134 PolarHBondContact O-OD1 2.95Å; N134-V171 VanDerWaalsContact O-CG1 3.28Å; N134-V171 WeakPolarHBondContact O-CG1 3.26Å; N134-E172 PolarHBondContact O-N 3.36Å; N134-R173 PolarHBondContact O-N 3.1Å; N134-R173 VanDerWaalsContact O-N 3.12Å
135	V	95	Very high	93.7	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.024	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	135.5	177.7	-176.8	0	0	0	0	109.5	I64 V65 A66 T67 I137 R173 A272	I64-V135 HydrophobicContact CG2-CB 4.22Å; I64-V135 HydrophobicContact CG2-CG2 3.72Å; V65-V135 PolarHBondContact O-N 3.05Å; A66-V135 CarbonylContact C-O 3.57Å; A66-V135 VanDerWaalsContact CA-O 3.26Å; A66-V135 WeakPolarHBondContact CA-O 3.4Å; A66-V135 HydrophobicContact CB-CB 4.4Å; T67-V135 PolarHBondContact N-O 2.88Å; V135-I137 HydrophobicContact CG1-CG1 4.09Å; V135-R173 CarbonylContact C-O 3.54Å; V135-R173 WeakPolarHBondContact CA-O 3.46Å; V135-R173 HydrophobicContact CB-CB 4.5Å; V135-R173 HydrophobicContact CG1-CB 4.21Å; V135-R173 HydrophobicContact CG2-CB 4.11Å; V135-A272 HydrophobicContact CG1-CB 4.03Å
136	V	97	Very high	93.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.5	173.2	177.8	0	0	0	0	109.4	T67 F69 V130 I162 A166 V171 R173 F174 I175	T67-V136 WeakPolarHBondContact O-CA 3.5Å; F69-V136 HydrophobicContact CD2-CG1 3.85Å; F69-V136 HydrophobicContact CE2-CG1 3.77Å; V130-V136 HydrophobicContact CG1-CB 4.39Å; V130-V136 HydrophobicContact CG1-CG1 4.32Å; V130-V136 HydrophobicContact CG1-CG2 3.16Å; V136-I162 HydrophobicContact CG1-CG2 4.23Å; V136-A166 HydrophobicContact CG2-CB 4.24Å; V136-V171 HydrophobicContact CB-CG1 4.14Å; V136-V171 HydrophobicContact CG2-CB 4.27Å; V136-V171 HydrophobicContact CG2-CG1 3.62Å; V136-V171 HydrophobicContact CG2-CG2 3.7Å; V136-R173 PolarHBondContact N-O 3.45Å; V136-F174 HydrophobicContact CB-CD2 3.81Å; V136-F174 HydrophobicContact CB-CE2 4.16Å; V136-F174 HydrophobicContact CG1-CD2 3.81Å; V136-F174 HydrophobicContact CG1-CE2 3.61Å; V136-F174 WeakPolarHBondContact O-CA 3.48Å; V136-I175 PolarHBondContact O-N 3.21Å
137	I	98.1	Very high	93	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	116.2	-179.9	-53.8	173.8	0	0	0	107.7	T67 V68 F69 V79 L83 V135 L139 I175 I268	T67-I137 PolarHBondContact O-N 3.08Å; V68-I137 HydrophobicContact CG1-CB 4.49Å; V68-I137 HydrophobicContact CG2-CD1 4.28Å; F69-I137 PolarHBondContact N-O 3.11Å; V79-I137 HydrophobicContact CG1-CD1 3.97Å; L83-I137 HydrophobicContact CD1-CD1 4.05Å; V135-I137 HydrophobicContact CG1-CG1 4.09Å; I137-L139 HydrophobicContact CG2-CD1 4.27Å; I137-L139 HydrophobicContact CG2-CD2 3.75Å; I137-L139 HydrophobicContact CG2-CG 3.86Å; I137-I175 HydrophobicContact CG1-CB 4.41Å; I137-I175 HydrophobicContact CG1-CD1 4.41Å; I137-I268 HydrophobicContact CD1-CG2 3.77Å; I137-I268 HydrophobicContact CG1-CG2 4.35Å; I137-I268 HydrophobicContact CG2-CG2 3.92Å
138	N	97.9	Very high	92.7	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.011	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	105.7	178	-177.3	11.5	0	0	0	111	V140 F174 I175 H176 L177	N138-V140 WeakPolarHBondContact OD1-CB 3.25Å; N138-V140 WeakPolarHBondContact OD1-CG2 3.29Å; N138-V140 PolarHBondContact OD1-N 2.85Å; N138-F174 HydrophobicContact CB-CZ 3.92Å; N138-I175 PolarHBondContact N-O 2.91Å; N138-H176 PolarHBondContact ND2-ND1 2.87Å; N138-L177 PolarHBondContact O-N 3.27Å; N138-L177 VanDerWaalsContact O-N 3.08Å
139	L	97	Very high	92.7	Very high	25 Å²	25	44.1 Å²	44.1	13%	0.131	22%	0.219	C	C	.	.			trans	-111.2	15	175	-47.4	175.4	0	0	0	111.8	V68 F69 V75 G76 V79 I137 G141 L177 I268	V68-L139 HydrophobicContact CG1-CD1 3.97Å; F69-L139 WeakPolarHBondContact O-CA 3.37Å; F69-L139 VanDerWaalsContact O-CB 3.29Å; F69-L139 WeakPolarHBondContact O-CB 3.28Å; F69-L139 PolarHBondContact O-N 3.22Å; V75-L139 HydrophobicContact CG1-CD1 4.38Å; V75-L139 HydrophobicContact CG1-CD2 4.49Å; G76-L139 VanDerWaalsContact CA-CD1 3.43Å; V79-L139 HydrophobicContact CB-CD1 4.39Å; V79-L139 HydrophobicContact CG2-CD1 4.14Å; I137-L139 HydrophobicContact CG2-CD1 4.27Å; I137-L139 HydrophobicContact CG2-CD2 3.75Å; I137-L139 HydrophobicContact CG2-CG 3.86Å; L139-G141 PolarHBondContact O-N 2.83Å; L139-L177 HydrophobicContact CD2-CB 3.75Å; L139-L177 HydrophobicContact CD2-CD2 3.91Å; L139-L177 HydrophobicContact CD2-CG 4.35Å; L139-I268 HydrophobicContact CD2-CD1 4.14Å
140	V	95.9	Very high	92.6	Very high	22 Å²	22	48.4 Å²	48.4	13%	0.133	24%	0.237	C	C	.	.			trans	-70.2	127.7	-179.3	-177.4	0	0	0	0	109.4	F69 L120 N138 V154 I162	F69-V140 HydrophobicContact CB-CG2 3.64Å; L120-V140 HydrophobicContact CD2-CG1 4.45Å; N138-V140 WeakPolarHBondContact OD1-CB 3.25Å; N138-V140 WeakPolarHBondContact OD1-CG2 3.29Å; N138-V140 PolarHBondContact OD1-N 2.85Å; V140-V154 HydrophobicContact CG1-CG1 3.81Å; V140-I162 HydrophobicContact CG2-CD1 4.4Å
141	G	93	Very high	92.5	Very high	38 Å²	38	48.8 Å²	48.8	39%	0.392	24%	0.239	S	C	.	.			trans	-174.4	155.8	176.8	0	0	0	0	0	111.7	L139	L139-G141 PolarHBondContact O-N 2.83Å
142	R	91.7	Very high	92.7	Very high	89 Å²	89	49.3 Å²	49.3	34%	0.336	24%	0.241	S	C	.	.			trans	-136.6	142.6	175	-157.2	68.6	-178.9	177.4	-6.9	110	F144 H155 W197	R142-F144 HydrophobicContact CG-CD2 4.38Å; R142-F144 HydrophobicContact CG-CE2 4.42Å; R142-F144 WeakPolarHBondContact CG-O 3.43Å; R142-F144 VanDerWaalsContact NE-CZ 3.31Å; R142-H155 PolarHBondContact N-NE2 2.87Å; R142-H155 VanDerWaalsContact N-NE2 3.13Å; R142-H155 PolarHBondContact O-CE1 3.12Å; R142-H155 VanDerWaalsContact O-CE1 3.22Å; R142-H155 PolarHBondContact O-NE2 3.03Å; R142-W197 PolarHBondContact O-NE1 2.77Å
143	D	89.5	Confident	93	Very high	27 Å²	27	45.4 Å²	45.4	14%	0.144	23%	0.225	C	C	.	.	S	Bend	trans	-82.8	-22.2	179.6	-67	-58.8	0	0	0	113.1	F151 R229 H343 R349	D143-F151 WeakPolarHBondContact O-CZ 3.38Å; D143-R229 VanDerWaalsContact OD2-CD 3.26Å; D143-R229 WeakPolarHBondContact OD2-CD 3.43Å; D143-R229 IonicContact OD2-CZ 3.72Å; D143-R229 IonicContact OD2-NE 3.85Å; D143-R229 IonicContact OD2-NH1 2.79Å; D143-R229 PolarHBondContact OD2-NH1 3.43Å; D143-H343 PolarHBondContact O-NE2 3.31Å; D143-H343 VanDerWaalsContact O-NE2 3.11Å; D143-R349 IonicContact OD1-CZ 3.34Å; D143-R349 VanDerWaalsContact OD1-CZ 3.29Å; D143-R349 IonicContact OD1-NH1 3.01Å; D143-R349 PolarHBondContact OD1-NH1 3.38Å; D143-R349 IonicContact OD1-NH2 2.69Å; D143-R349 PolarHBondContact OD1-NH2 3.46Å
144	F	89.4	Confident	93.1	Very high	20 Å²	20	45.7 Å²	45.7	9%	0.088	23%	0.226	C	C	.	.	S	Bend	trans	-133.8	153.4	-177.6	54.2	-99	0	0	0	109.7	R142 T146 G336 T337 P338	R142-F144 HydrophobicContact CG-CD2 4.38Å; R142-F144 HydrophobicContact CG-CE2 4.42Å; R142-F144 WeakPolarHBondContact CG-O 3.43Å; R142-F144 VanDerWaalsContact NE-CZ 3.31Å; F144-T146 HydrophobicContact CD2-CG2 4.31Å; F144-T146 HydrophobicContact CE2-CG2 4.07Å; F144-G336 WeakPolarHBondContact CE2-O 3.36Å; F144-T337 HydrophobicContact CZ-CG2 4.32Å; F144-P338 HydrophobicContact CB-CG 4.12Å; F144-P338 HydrophobicContact CD1-CG 3.81Å; F144-P338 HydrophobicContact CE1-CG 4.29Å; F144-P338 HydrophobicContact CG-CG 3.93Å
145	E	89.2	Confident	93.3	Very high	54 Å²	54	45 Å²	45	25%	0.252	22%	0.222	S	C	.	.			trans	-74.5	149.7	174.4	-56.5	-152.8	127.3	0	0	111.3	K150 F151	E145-K150 HydrophobicContact CB-CD 4.48Å; E145-K150 VanDerWaalsContact OE2-CD 3.29Å; E145-K150 WeakPolarHBondContact OE2-CD 3.44Å; E145-K150 IonicContact OE2-NZ 3.42Å; E145-K150 PolarHBondContact OE2-NZ 3.5Å; E145-F151 HydrophobicContact CG-CD1 4.23Å; E145-F151 HydrophobicContact CG-CD2 3.38Å; E145-F151 HydrophobicContact CG-CE1 4.15Å; E145-F151 HydrophobicContact CG-CE2 3.32Å; E145-F151 HydrophobicContact CG-CG 3.87Å; E145-F151 HydrophobicContact CG-CZ 3.74Å; E145-F151 WeakPolarHBondContact OE1-CD2 3.48Å; E145-F151 PolarHBondContact OE1-N 3.13Å
146	T	88.6	Confident	93.4	Very high	36 Å²	36	44.9 Å²	44.9	22%	0.221	22%	0.221	C	C	.	.			trans	-112.5	171.8	169.1	61.5	0	0	0	0	109.4	F144 N148 F149	F144-T146 HydrophobicContact CD2-CG2 4.31Å; F144-T146 HydrophobicContact CE2-CG2 4.07Å; T146-N148 VanDerWaalsContact C-N 3.27Å; T146-N148 PolarHBondContact O-N 2.82Å; T146-F149 PolarHBondContact N-O 3.4Å; T146-F149 PolarHBondContact OG1-N 3.03Å; T146-F149 VanDerWaalsContact OG1-N 3.08Å; T146-F149 PolarHBondContact OG1-O 3.25Å; T146-F149 VanDerWaalsContact OG1-O 3.1Å
147	K	87.8	Confident	93.3	Very high	186 Å²	186	46.7 Å²	46.7	81%	0.809	23%	0.231	S	C	*	.	S	Bend	trans	-58.9	-40.2	176.6	-174.1	178.4	177.3	-177.9	0	112.3
148	N	89.9	Confident	93.2	Very high	123 Å²	123	46.8 Å²	46.8	66%	0.658	23%	0.232	S	C	*	.	S	Bend	trans	-92.4	-33.1	-173.1	-59.4	-6.6	0	0	0	112.5	T146	T146-N148 VanDerWaalsContact C-N 3.27Å; T146-N148 PolarHBondContact O-N 2.82Å
149	F	92	Very high	93.2	Very high	34 Å²	34	46.8 Å²	46.8	15%	0.149	23%	0.232	C	C	.	.			trans	-120.7	117.9	-177.2	-68.6	-75.3	0	0	0	111.2	E121 T146 V154	E121-F149 HydrophobicContact CG-CE1 3.88Å; E121-F149 HydrophobicContact CG-CZ 4.37Å; T146-F149 PolarHBondContact N-O 3.4Å; T146-F149 PolarHBondContact OG1-N 3.03Å; T146-F149 VanDerWaalsContact OG1-N 3.08Å; T146-F149 PolarHBondContact OG1-O 3.25Å; T146-F149 VanDerWaalsContact OG1-O 3.1Å; F149-V154 HydrophobicContact CB-CG2 3.77Å; F149-V154 HydrophobicContact CD1-CG2 4.37Å; F149-V154 HydrophobicContact CG-CG2 4.35Å
150	K	93.4	Very high	93.2	Very high	92 Å²	92	48.3 Å²	48.3	40%	0.4	24%	0.238	S	C	.	.			trans	-86.4	166.3	172.6	-59.2	-56.8	-166.9	172.3	0	111.7	E145 K152 D153 V154	E145-K150 HydrophobicContact CB-CD 4.48Å; E145-K150 VanDerWaalsContact OE2-CD 3.29Å; E145-K150 WeakPolarHBondContact OE2-CD 3.44Å; E145-K150 IonicContact OE2-NZ 3.42Å; E145-K150 PolarHBondContact OE2-NZ 3.5Å; K150-K152 VanDerWaalsContact C-N 3.29Å; K150-K152 PolarHBondContact O-N 3.36Å; K150-D153 WeakPolarHBondContact CB-OD2 3.09Å; K150-D153 PolarHBondContact N-OD2 2.96Å; K150-D153 PolarHBondContact O-N 3.07Å; K150-V154 PolarHBondContact O-N 2.86Å
151	F	93.3	Very high	93.2	Very high	9 Å²	9	50.8 Å²	50.8	4%	0.039	25%	0.246	C	C	.	.	H	α-helix	trans	-58.8	-41.7	179.1	-72.5	-50.3	0	0	0	112.7	D143 E145 D153 V154 H155 E196 W197	D143-F151 WeakPolarHBondContact O-CZ 3.38Å; E145-F151 HydrophobicContact CG-CD1 4.23Å; E145-F151 HydrophobicContact CG-CD2 3.38Å; E145-F151 HydrophobicContact CG-CE1 4.15Å; E145-F151 HydrophobicContact CG-CE2 3.32Å; E145-F151 HydrophobicContact CG-CG 3.87Å; E145-F151 HydrophobicContact CG-CZ 3.74Å; E145-F151 WeakPolarHBondContact OE1-CD2 3.48Å; E145-F151 PolarHBondContact OE1-N 3.13Å; F151-D153 VanDerWaalsContact C-N 3.34Å; F151-D153 PolarHBondContact O-N 2.87Å; F151-V154 PolarHBondContact O-N 3.29Å; F151-H155 AromaticContact CD1-CE1 3.8Å; F151-H155 WeakPolarHBondContact O-CB 3.35Å; F151-H155 PolarHBondContact O-N 3.03Å; F151-E196 HydrophobicContact CD2-CB 4.47Å; F151-E196 HydrophobicContact CD2-CG 4.14Å; F151-W197 AromaticContact CD1-CD1 3.94Å; F151-W197 AromaticContact CE1-CD1 3.56Å; F151-W197 HydrophobicContact CE1-CG 4.47Å; F151-W197 HydrophobicContact CZ-CB 4.41Å
152	K	94.5	Very high	93.4	Very high	117 Å²	117	49 Å²	49	51%	0.509	23%	0.227	S	C	.	.	I	π-helix	trans	-61.9	-40.6	178.1	-169.4	175.2	-177.4	177.1	0	112.4	K150 V154 V156 N157	K150-K152 VanDerWaalsContact C-N 3.29Å; K150-K152 PolarHBondContact O-N 3.36Å; K152-V154 VanDerWaalsContact C-N 3.33Å; K152-V154 PolarHBondContact O-N 3.07Å; K152-V156 HydrophobicContact CG-CB 4.14Å; K152-V156 HydrophobicContact CG-CG2 4.15Å; K152-V156 WeakPolarHBondContact O-CA 3.21Å; K152-V156 VanDerWaalsContact O-CB 3.26Å; K152-V156 WeakPolarHBondContact O-CB 3.28Å; K152-V156 PolarHBondContact O-N 3.24Å; K152-N157 PolarHBondContact O-N 3.08Å
153	D	94.9	Very high	93.6	Very high	49 Å²	49	44.8 Å²	44.8	26%	0.262	21%	0.211	S	C	.	.	I	π-helix	trans	-66.9	-37.1	-178.8	-60	-39.8	0	0	0	112.1	K150 F151 N157 G158	K150-D153 WeakPolarHBondContact CB-OD2 3.09Å; K150-D153 PolarHBondContact N-OD2 2.96Å; K150-D153 PolarHBondContact O-N 3.07Å; F151-D153 VanDerWaalsContact C-N 3.34Å; F151-D153 PolarHBondContact O-N 2.87Å; D153-N157 PolarHBondContact OD1-ND2 3.45Å; D153-N157 VanDerWaalsContact OD1-ND2 3.15Å; D153-G158 WeakPolarHBondContact O-CA 3.48Å; D153-G158 PolarHBondContact O-N 3.36Å
154	V	94.8	Very high	94	Very high	16 Å²	16	48.9 Å²	48.9	10%	0.097	23%	0.225	C	C	.	.	I	π-helix	trans	-82.9	-53	-178.6	-176.8	0	0	0	0	111.7	L120 V140 F149 K150 F151 K152	L120-V154 HydrophobicContact CD2-CG1 4.47Å; V140-V154 HydrophobicContact CG1-CG1 3.81Å; F149-V154 HydrophobicContact CB-CG2 3.77Å; F149-V154 HydrophobicContact CD1-CG2 4.37Å; F149-V154 HydrophobicContact CG-CG2 4.35Å; K150-V154 PolarHBondContact O-N 2.86Å; F151-V154 PolarHBondContact O-N 3.29Å; K152-V154 VanDerWaalsContact C-N 3.33Å; K152-V154 PolarHBondContact O-N 3.07Å
155	H	96.3	Very high	94.3	Very high	3 Å²	3	48 Å²	48	1%	0.014	22%	0.221	C	C	.	.	I	π-helix	trans	-83.8	-32.1	-170.7	-60.2	153.7	0	0	0	113.4	R142 F151 A159 W197 S200 K201 G204	R142-H155 PolarHBondContact N-NE2 2.87Å; R142-H155 VanDerWaalsContact N-NE2 3.13Å; R142-H155 PolarHBondContact O-CE1 3.12Å; R142-H155 VanDerWaalsContact O-CE1 3.22Å; R142-H155 PolarHBondContact O-NE2 3.03Å; F151-H155 AromaticContact CD1-CE1 3.8Å; F151-H155 WeakPolarHBondContact O-CB 3.35Å; F151-H155 PolarHBondContact O-N 3.03Å; H155-A159 WeakPolarHBondContact O-CB 3.17Å; H155-W197 AromaticContact CE1-CD1 3.5Å; H155-W197 VanDerWaalsContact CE1-CD1 3.5Å; H155-W197 AromaticContact CE1-NE1 3.28Å; H155-W197 PolarHBondContact CE1-NE1 3.16Å; H155-W197 VanDerWaalsContact CE1-NE1 3.28Å; H155-W197 AromaticContact NE2-NE1 3.91Å; H155-S200 PolarHBondContact ND1-OG 3.35Å; H155-K201 HydrophobicContact CB-CD 4.38Å; H155-G204 VanDerWaalsContact O-CA 3.28Å; H155-G204 WeakPolarHBondContact O-CA 3.43Å
156	V	96.6	Very high	94.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.209	C	C	.	.	I	π-helix	trans	-98	-70.6	-178.2	-170.5	0	0	0	0	109.8	K152 G158 A159 E160 S200 E203 R207	K152-V156 HydrophobicContact CG-CB 4.14Å; K152-V156 HydrophobicContact CG-CG2 4.15Å; K152-V156 WeakPolarHBondContact O-CA 3.21Å; K152-V156 VanDerWaalsContact O-CB 3.26Å; K152-V156 WeakPolarHBondContact O-CB 3.28Å; K152-V156 PolarHBondContact O-N 3.24Å; V156-G158 PolarHBondContact O-N 3.37Å; V156-A159 PolarHBondContact O-N 2.94Å; V156-E160 VanDerWaalsContact O-CB 3.29Å; V156-E160 WeakPolarHBondContact O-CB 3.47Å; V156-E160 PolarHBondContact O-N 3.23Å; V156-S200 WeakPolarHBondContact CG2-O 3.28Å; V156-E203 HydrophobicContact CG1-CB 4.49Å; V156-E203 HydrophobicContact CG2-CB 3.78Å; V156-R207 HydrophobicContact CG1-CG 3.78Å
157	N	96.1	Very high	94.8	Very high	39 Å²	39	50.6 Å²	50.6	21%	0.209	22%	0.224	C	C	.	.	I	π-helix	trans	-63.2	-43.6	-173.8	-61.9	-27.6	0	0	0	111.5	K152 D153 R161	K152-N157 PolarHBondContact O-N 3.08Å; D153-N157 PolarHBondContact OD1-ND2 3.45Å; D153-N157 VanDerWaalsContact OD1-ND2 3.15Å; N157-R161 WeakPolarHBondContact O-CB 2.98Å; N157-R161 WeakPolarHBondContact O-CG 3.37Å; N157-R161 PolarHBondContact O-N 3.02Å
158	G	95.8	Very high	95	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.01	21%	0.208	C	C	.	.	I	π-helix	trans	-64.6	-45.3	179	0	0	0	0	0	113	D153 V156 R161 I162	D153-G158 WeakPolarHBondContact O-CA 3.48Å; D153-G158 PolarHBondContact O-N 3.36Å; V156-G158 PolarHBondContact O-N 3.37Å; G158-R161 PolarHBondContact O-N 3.45Å; G158-I162 VanDerWaalsContact O-CG1 3.29Å; G158-I162 WeakPolarHBondContact O-CG1 3.4Å; G158-I162 PolarHBondContact O-N 2.97Å; G158-I162 VanDerWaalsContact O-N 3.15Å
159	A	96.8	Very high	95	Very high	3 Å²	3	43 Å²	43	3%	0.025	20%	0.195	C	C	.	.	H	α-helix	trans	-67.1	-41.8	178.4	0	0	0	0	0	112	H155 V156 I162 A163 V208	H155-A159 WeakPolarHBondContact O-CB 3.17Å; V156-A159 PolarHBondContact O-N 2.94Å; A159-I162 PolarHBondContact O-N 2.81Å; A159-A163 WeakPolarHBondContact O-CB 3.26Å; A159-A163 PolarHBondContact O-N 3.23Å; A159-V208 HydrophobicContact CB-CG2 3.64Å
160	E	97	Very high	94.9	Very high	56 Å²	56	44.2 Å²	44.2	26%	0.262	22%	0.218	S	C	.	.	H	α-helix	trans	-59.7	-47.6	175.2	-173.7	-176.5	149.1	0	0	111.6	V156 I162 A163 R164 R207	V156-E160 VanDerWaalsContact O-CB 3.29Å; V156-E160 WeakPolarHBondContact O-CB 3.47Å; V156-E160 PolarHBondContact O-N 3.23Å; E160-I162 PolarHBondContact O-N 2.94Å; E160-A163 PolarHBondContact O-N 3.1Å; E160-R164 WeakPolarHBondContact O-CB 3.37Å; E160-R164 PolarHBondContact O-N 3.27Å; E160-R207 HydrophobicContact CB-CB 3.98Å; E160-R207 HydrophobicContact CG-CB 4.1Å; E160-R207 IonicContact OE2-CZ 2.61Å; E160-R207 IonicContact OE2-NH1 3.31Å; E160-R207 PolarHBondContact OE2-NH1 3.1Å
161	R	96.7	Very high	94.8	Very high	75 Å²	75	40.2 Å²	40.2	28%	0.283	20%	0.201	S	C	.	.	H	α-helix	trans	-58.8	-47.6	178.4	-76	170.3	-170	160.9	1.7	111.7	L120 N157 G158 R164 I165	L120-R161 PolarHBondContact O-NH1 3.26Å; N157-R161 WeakPolarHBondContact O-CB 2.98Å; N157-R161 WeakPolarHBondContact O-CG 3.37Å; N157-R161 PolarHBondContact O-N 3.02Å; G158-R161 PolarHBondContact O-N 3.45Å; R161-R164 PolarHBondContact O-N 3.45Å; R161-I165 WeakPolarHBondContact O-CB 3.29Å; R161-I165 WeakPolarHBondContact O-CD1 3.27Å; R161-I165 VanDerWaalsContact O-CG1 3.23Å; R161-I165 WeakPolarHBondContact O-CG1 3.28Å; R161-I165 PolarHBondContact O-N 2.93Å
162	I	97	Very high	94.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.5	-45.1	179.1	-62.9	168.6	0	0	0	110.2	F69 L120 I126 V136 V140 G158 A159 E160 I165 A166 F174	F69-I162 HydrophobicContact CB-CD1 4.38Å; F69-I162 HydrophobicContact CD1-CD1 4.18Å; F69-I162 HydrophobicContact CD2-CD1 4.3Å; F69-I162 HydrophobicContact CD2-CG2 3.66Å; F69-I162 HydrophobicContact CE2-CG2 3.51Å; F69-I162 HydrophobicContact CG-CD1 4.04Å; F69-I162 HydrophobicContact CG-CG2 4.44Å; F69-I162 HydrophobicContact CZ-CG2 4.17Å; L120-I162 HydrophobicContact CD1-CD1 3.84Å; L120-I162 HydrophobicContact CD1-CG1 4.29Å; I126-I162 HydrophobicContact CD1-CG1 4.27Å; I126-I162 HydrophobicContact CG2-CG1 4.35Å; V136-I162 HydrophobicContact CG1-CG2 4.23Å; V140-I162 HydrophobicContact CG2-CD1 4.4Å; G158-I162 VanDerWaalsContact O-CG1 3.29Å; G158-I162 WeakPolarHBondContact O-CG1 3.4Å; G158-I162 PolarHBondContact O-N 2.97Å; G158-I162 VanDerWaalsContact O-N 3.15Å; A159-I162 PolarHBondContact O-N 2.81Å; E160-I162 PolarHBondContact O-N 2.94Å; I162-I165 PolarHBondContact O-N 3.4Å; I162-A166 VanDerWaalsContact O-CB 3.26Å; I162-A166 WeakPolarHBondContact O-CB 3.18Å; I162-A166 PolarHBondContact O-N 2.79Å; I162-F174 HydrophobicContact CG2-CE2 3.87Å; I162-F174 HydrophobicContact CG2-CZ 4.19Å
163	A	97	Very high	94.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.2	-43.9	179.7	0	0	0	0	0	112.3	A159 E160 A166 R167 F174 V208 A211 F212	A159-A163 WeakPolarHBondContact O-CB 3.26Å; A159-A163 PolarHBondContact O-N 3.23Å; E160-A163 PolarHBondContact O-N 3.1Å; A163-A166 PolarHBondContact O-N 3.01Å; A163-R167 PolarHBondContact O-N 3.18Å; A163-F174 HydrophobicContact CB-CE1 3.97Å; A163-F174 HydrophobicContact CB-CE2 4.43Å; A163-F174 HydrophobicContact CB-CZ 3.91Å; A163-V208 HydrophobicContact CB-CB 4.46Å; A163-V208 HydrophobicContact CB-CG1 4.27Å; A163-V208 HydrophobicContact CB-CG2 4.26Å; A163-A211 HydrophobicContact CB-CB 3.9Å; A163-F212 HydrophobicContact CB-CB 4.28Å
164	R	96.7	Very high	94.7	Very high	114 Å²	114	39.8 Å²	39.8	43%	0.43	20%	0.197	S	C	.	.	H	α-helix	trans	-61.5	-48	176.1	-175.6	-178.5	67.9	-173.6	1	111.5	E160 R161 R167 E168 A211	E160-R164 WeakPolarHBondContact O-CB 3.37Å; E160-R164 PolarHBondContact O-N 3.27Å; R161-R164 PolarHBondContact O-N 3.45Å; R164-R167 WeakPolarHBondContact O-CB 3.41Å; R164-R167 PolarHBondContact O-N 3.46Å; R164-E168 IonicContact NE-OE1 2.94Å; R164-E168 WeakPolarHBondContact O-CG 3.46Å; R164-E168 PolarHBondContact O-N 3.46Å; R164-A211 HydrophobicContact CB-CB 4.42Å
165	I	95.7	Very high	94.8	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-66.3	-39.3	-179.8	-68.5	167.7	0	0	0	111	P123 I126 R127 V130 R161 I162 R167 E168 A169	P123-I165 HydrophobicContact CB-CD1 3.86Å; I126-I165 HydrophobicContact CB-CD1 3.79Å; I126-I165 HydrophobicContact CD1-CD1 4.29Å; I126-I165 HydrophobicContact CG2-CB 4.19Å; I126-I165 HydrophobicContact CG2-CD1 3.7Å; I126-I165 HydrophobicContact CG2-CG2 4.02Å; R127-I165 HydrophobicContact CB-CG2 4.23Å; R127-I165 HydrophobicContact CG-CD1 4.4Å; R127-I165 HydrophobicContact CG-CG1 4.32Å; R127-I165 HydrophobicContact CG-CG2 3.41Å; R127-I165 VanDerWaalsContact CG-CG2 3.41Å; V130-I165 HydrophobicContact CG2-CG2 3.69Å; R161-I165 WeakPolarHBondContact O-CB 3.29Å; R161-I165 WeakPolarHBondContact O-CD1 3.27Å; R161-I165 VanDerWaalsContact O-CG1 3.23Å; R161-I165 WeakPolarHBondContact O-CG1 3.28Å; R161-I165 PolarHBondContact O-N 2.93Å; I162-I165 PolarHBondContact O-N 3.4Å; I165-R167 VanDerWaalsContact C-N 3.28Å; I165-R167 PolarHBondContact O-N 3.11Å; I165-E168 PolarHBondContact O-N 2.92Å; I165-A169 WeakPolarHBondContact O-CB 3.34Å; I165-A169 PolarHBondContact O-N 2.7Å
166	A	94.6	Very high	94.9	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.7	-39.5	174.7	0	0	0	0	0	111.6	V136 I162 A163 A169 G170 V171 F174	V136-A166 HydrophobicContact CG2-CB 4.24Å; I162-A166 VanDerWaalsContact O-CB 3.26Å; I162-A166 WeakPolarHBondContact O-CB 3.18Å; I162-A166 PolarHBondContact O-N 2.79Å; A163-A166 PolarHBondContact O-N 3.01Å; A166-A169 PolarHBondContact O-N 3.14Å; A166-G170 PolarHBondContact O-N 3.12Å; A166-V171 HydrophobicContact CB-CB 4.23Å; A166-V171 HydrophobicContact CB-CG2 4.01Å; A166-V171 VanDerWaalsContact O-CB 3.31Å; A166-V171 WeakPolarHBondContact O-CB 3.26Å; A166-V171 VanDerWaalsContact O-CG2 3.26Å; A166-V171 WeakPolarHBondContact O-CG2 3.48Å; A166-V171 PolarHBondContact O-N 3.4Å; A166-V171 VanDerWaalsContact O-N 3.08Å; A166-F174 HydrophobicContact CB-CD2 3.79Å; A166-F174 HydrophobicContact CB-CE2 4.12Å
167	R	93.3	Very high	94.9	Very high	144 Å²	144	40 Å²	40	54%	0.543	20%	0.198	S	C	.	.	H	α-helix	trans	-64	-47	173.2	-175.8	172.1	171.4	-175.8	-1.3	112.2	A163 R164 I165 A169 G170 A211 F212	A163-R167 PolarHBondContact O-N 3.18Å; R164-R167 WeakPolarHBondContact O-CB 3.41Å; R164-R167 PolarHBondContact O-N 3.46Å; I165-R167 VanDerWaalsContact C-N 3.28Å; I165-R167 PolarHBondContact O-N 3.11Å; R167-A169 PolarHBondContact O-N 3.49Å; R167-G170 PolarHBondContact O-N 3.25Å; R167-A211 WeakPolarHBondContact CD-O 3.37Å; R167-A211 PolarHBondContact NH1-O 3.47Å; R167-F212 HydrophobicContact CB-CD2 3.78Å; R167-F212 HydrophobicContact CB-CE2 4.32Å; R167-F212 HydrophobicContact CG-CD2 4.47Å
168	E	92.5	Very high	94.9	Very high	102 Å²	102	38.4 Å²	38.4	48%	0.477	19%	0.19	S	C	.	.	H	α-helix	trans	-59.7	-36.3	177.7	-71.5	169.6	-170.7	0	0	112.1	R127 R164 I165 G170	R127-E168 IonicContact CZ-OE2 3.41Å; R127-E168 IonicContact NE-OE2 2.92Å; R127-E168 PolarHBondContact NE-OE2 3.3Å; R127-E168 IonicContact NH2-OE1 2.71Å; R127-E168 IonicContact NH2-OE2 3.99Å; R127-E168 PolarHBondContact NH2-OE2 3.03Å; R164-E168 IonicContact NE-OE1 2.94Å; R164-E168 WeakPolarHBondContact O-CG 3.46Å; R164-E168 PolarHBondContact O-N 3.46Å; I165-E168 PolarHBondContact O-N 2.92Å; E168-G170 PolarHBondContact O-N 3.5Å
169	A	90.8	Very high	94.8	Very high	47 Å²	47	39 Å²	39	39%	0.388	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-6.8	177.2	0	0	0	0	0	114	I165 A166 R167 V171	I165-A169 WeakPolarHBondContact O-CB 3.34Å; I165-A169 PolarHBondContact O-N 2.7Å; A166-A169 PolarHBondContact O-N 3.14Å; R167-A169 PolarHBondContact O-N 3.49Å; A169-V171 HydrophobicContact CB-CG2 4.3Å
170	G	89.9	Confident	94.6	Very high	60 Å²	60	39.2 Å²	39.2	62%	0.619	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.5	28.7	-179.9	0	0	0	0	0	114.2	A166 R167 E168 E172	A166-G170 PolarHBondContact O-N 3.12Å; R167-G170 PolarHBondContact O-N 3.25Å; E168-G170 PolarHBondContact O-N 3.5Å; G170-E172 PolarHBondContact O-N 2.92Å
171	V	91.7	Very high	94.3	Very high	8 Å²	8	37.3 Å²	37.3	5%	0.048	19%	0.186	C	C	.	.			trans	-61.9	131.9	177.1	174.1	0	0	0	0	110.1	V130 N134 V136 A166 A169 R173 F212	V130-V171 HydrophobicContact CG1-CG2 4.24Å; N134-V171 VanDerWaalsContact O-CG1 3.28Å; N134-V171 WeakPolarHBondContact O-CG1 3.26Å; V136-V171 HydrophobicContact CB-CG1 4.14Å; V136-V171 HydrophobicContact CG2-CB 4.27Å; V136-V171 HydrophobicContact CG2-CG1 3.62Å; V136-V171 HydrophobicContact CG2-CG2 3.7Å; A166-V171 HydrophobicContact CB-CB 4.23Å; A166-V171 HydrophobicContact CB-CG2 4.01Å; A166-V171 VanDerWaalsContact O-CB 3.31Å; A166-V171 WeakPolarHBondContact O-CB 3.26Å; A166-V171 VanDerWaalsContact O-CG2 3.26Å; A166-V171 WeakPolarHBondContact O-CG2 3.48Å; A166-V171 PolarHBondContact O-N 3.4Å; A166-V171 VanDerWaalsContact O-N 3.08Å; A169-V171 HydrophobicContact CB-CG2 4.3Å; V171-R173 WeakPolarHBondContact CG1-O 3.43Å; V171-F212 WeakPolarHBondContact O-CZ 3.38Å
172	E	90.7	Very high	93.9	Very high	117 Å²	117	34.1 Å²	34.1	55%	0.547	18%	0.175	S	C	.	.	S	Bend	trans	-71.9	-40.6	-178.2	-61.8	176.8	-178	0	0	112.1	N134 G170	N134-E172 PolarHBondContact O-N 3.36Å; G170-E172 PolarHBondContact O-N 2.92Å
173	R	92.6	Very high	93.4	Very high	49 Å²	49	37.2 Å²	37.2	19%	0.185	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	127	-175.5	-61	-69.3	168.9	160.1	-15.7	112.1	N134 V135 V136 V171 D274 P275 S277	N134-R173 PolarHBondContact O-N 3.1Å; N134-R173 VanDerWaalsContact O-N 3.12Å; V135-R173 CarbonylContact C-O 3.54Å; V135-R173 WeakPolarHBondContact CA-O 3.46Å; V135-R173 HydrophobicContact CB-CB 4.5Å; V135-R173 HydrophobicContact CG1-CB 4.21Å; V135-R173 HydrophobicContact CG2-CB 4.11Å; V136-R173 PolarHBondContact N-O 3.45Å; V171-R173 WeakPolarHBondContact CG1-O 3.43Å; R173-D274 PolarHBondContact NH1-O 3.16Å; R173-P275 PolarHBondContact NH1-O 3.48Å; R173-P275 VanDerWaalsContact NH2-CA 3.27Å; R173-P275 PolarHBondContact NH2-O 2.9Å; R173-S277 PolarHBondContact NH1-OG 3Å
174	F	96.6	Very high	92.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	120.1	172.8	-170.5	-97	0	0	0	110	V136 N138 I162 A163 A166 H176 V208 F212 A215 T216	V136-F174 HydrophobicContact CB-CD2 3.81Å; V136-F174 HydrophobicContact CB-CE2 4.16Å; V136-F174 HydrophobicContact CG1-CD2 3.81Å; V136-F174 HydrophobicContact CG1-CE2 3.61Å; V136-F174 WeakPolarHBondContact O-CA 3.48Å; N138-F174 HydrophobicContact CB-CZ 3.92Å; I162-F174 HydrophobicContact CG2-CE2 3.87Å; I162-F174 HydrophobicContact CG2-CZ 4.19Å; A163-F174 HydrophobicContact CB-CE1 3.97Å; A163-F174 HydrophobicContact CB-CE2 4.43Å; A163-F174 HydrophobicContact CB-CZ 3.91Å; A166-F174 HydrophobicContact CB-CD2 3.79Å; A166-F174 HydrophobicContact CB-CE2 4.12Å; F174-H176 HydrophobicContact CD1-CB 4.49Å; F174-H176 HydrophobicContact CE1-CB 3.98Å; F174-V208 HydrophobicContact CD1-CG1 3.99Å; F174-V208 HydrophobicContact CE1-CG1 3.57Å; F174-F212 HydrophobicContact CB-CD1 3.73Å; F174-F212 HydrophobicContact CB-CD2 4.09Å; F174-F212 HydrophobicContact CB-CE1 3.7Å; F174-F212 HydrophobicContact CB-CE2 4.1Å; F174-F212 HydrophobicContact CB-CG 3.95Å; F174-F212 HydrophobicContact CB-CZ 3.91Å; F174-F212 HydrophobicContact CG-CG 4.41Å; F174-A215 HydrophobicContact CB-CB 4.38Å; F174-A215 HydrophobicContact CD1-CB 3.82Å; F174-A215 CarbonylContact O-C 3.5Å; F174-A215 WeakPolarHBondContact O-CA 3.45Å; F174-T216 PolarHBondContact O-N 3.09Å
175	I	97.4	Very high	92.4	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.2	178.3	-56.2	178.4	0	0	0	108.9	V136 I137 N138 T216 I218 I268 A271 A272	V136-I175 PolarHBondContact O-N 3.21Å; I137-I175 HydrophobicContact CG1-CB 4.41Å; I137-I175 HydrophobicContact CG1-CD1 4.41Å; N138-I175 PolarHBondContact N-O 2.91Å; I175-T216 CarbonylContact C-O 3.52Å; I175-T216 WeakPolarHBondContact CA-O 3.34Å; I175-I218 HydrophobicContact CG2-CD1 3.89Å; I175-I218 HydrophobicContact CG2-CG1 4.48Å; I175-I268 HydrophobicContact CD1-CG2 4.23Å; I175-I268 VanDerWaalsContact CD1-O 3.29Å; I175-I268 WeakPolarHBondContact CD1-O 3.23Å; I175-I268 HydrophobicContact CG2-CG2 4.39Å; I175-A271 HydrophobicContact CD1-CB 4.26Å; I175-A272 HydrophobicContact CD1-CB 3.78Å
176	H	97.8	Very high	91.8	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.009	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.9	178.6	-175.2	61.7	0	0	0	111.6	N138 F174 V208 T216 I217 I218	N138-H176 PolarHBondContact ND2-ND1 2.87Å; F174-H176 HydrophobicContact CD1-CB 4.49Å; F174-H176 HydrophobicContact CE1-CB 3.98Å; H176-V208 HydrophobicContact CB-CG1 4.08Å; H176-T216 PolarHBondContact N-O 2.89Å; H176-I217 HydrophobicContact CB-CG1 4.35Å; H176-I217 WeakPolarHBondContact O-CA 3.48Å; H176-I218 PolarHBondContact O-N 2.99Å
177	L	97.1	Very high	91.1	Very high	19 Å²	19	48 Å²	48	10%	0.099	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	106.7	174.5	-162.6	75.3	0	0	0	111.3	V75 N138 L139 K201 I218 P220 V264 I268	V75-L177 HydrophobicContact CG1-CD2 4.21Å; V75-L177 HydrophobicContact CG2-CD2 4.36Å; N138-L177 PolarHBondContact O-N 3.27Å; N138-L177 VanDerWaalsContact O-N 3.08Å; L139-L177 HydrophobicContact CD2-CB 3.75Å; L139-L177 HydrophobicContact CD2-CD2 3.91Å; L139-L177 HydrophobicContact CD2-CG 4.35Å; L177-K201 PolarHBondContact O-NZ 3.41Å; L177-K201 VanDerWaalsContact O-NZ 3.16Å; L177-I218 HydrophobicContact CD1-CB 4Å; L177-I218 HydrophobicContact CD1-CG2 3.92Å; L177-P220 HydrophobicContact CD1-CG 3.8Å; L177-P220 HydrophobicContact CD2-CG 4.39Å; L177-P220 HydrophobicContact CG-CG 4Å; L177-V264 HydrophobicContact CD1-CG1 4.35Å; L177-I268 HydrophobicContact CD1-CD1 4.45Å
178	S	95.4	Very high	90.5	Very high	6 Å²	6	45.5 Å²	45.5	4%	0.042	25%	0.252	C	S	.	.			trans	-94.2	-141.9	175.8	-173.7	0	0	0	0	109.9	E205 I218 P220	S178-E205 PolarHBondContact OG-OE2 3.12Å; S178-I218 PolarHBondContact N-O 3.42Å; S178-P220 WeakPolarHBondContact O-CD 3.19Å
179	S	94.1	Very high	89.9	Confident	15 Å²	15	43 Å²	43	11%	0.105	24%	0.242	C	C	.	.			trans	-145.5	157.8	175	-174	0	0	0	0	109.8	V182 W197 R219 P220	S179-V182 VanDerWaalsContact O-CG1 3.31Å; S179-V182 WeakPolarHBondContact O-CG1 3.48Å; S179-V182 VanDerWaalsContact O-CG2 3.26Å; S179-V182 WeakPolarHBondContact O-CG2 3.37Å; S179-W197 WeakPolarHBondContact OG-CZ3 3.35Å; S179-R219 WeakPolarHBondContact O-CB 3.42Å; S179-R219 WeakPolarHBondContact O-CG 3.26Å; S179-P220 CarbonylContact C-O 3.58Å
180	L	92.2	Very high	89.1	Confident	7 Å²	7	43.1 Å²	43.1	4%	0.037	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-53.6	-177	-172.5	70.2	0	0	0	113.4	V182 P220 A221 Q283 V285 D354	L180-V182 PolarHBondContact O-N 3.38Å; L180-P220 WeakPolarHBondContact CB-O 3.27Å; L180-P220 PolarHBondContact N-O 3.16Å; L180-A221 HydrophobicContact CD2-CB 3.99Å; L180-Q283 HydrophobicContact CD1-CB 3.99Å; L180-Q283 HydrophobicContact CD1-CG 3.85Å; L180-V285 HydrophobicContact CD1-CG1 3.87Å; L180-V285 HydrophobicContact CD2-CG1 3.96Å; L180-D354 HydrophobicContact CD2-CB 3.89Å
181	N	90.2	Very high	88.6	Confident	15 Å²	15	42.4 Å²	42.4	8%	0.08	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	35.5	-171.6	-56.7	-33	0	0	0	113.3	E183 L198 V352 D354 K355	N181-E183 PolarHBondContact O-N 3.11Å; N181-L198 HydrophobicContact CB-CD1 4.37Å; N181-L198 HydrophobicContact CB-CD2 4.27Å; N181-V352 HydrophobicContact CB-CG1 3.99Å; N181-D354 PolarHBondContact ND2-OD1 2.88Å; N181-D354 WeakPolarHBondContact OD1-CA 3.42Å; N181-K355 PolarHBondContact OD1-N 2.87Å; N181-K355 VanDerWaalsContact OD1-N 3.15Å
182	V	89.4	Confident	87.9	Confident	8 Å²	8	51.6 Å²	51.6	5%	0.048	26%	0.256	C	S	.	.			trans	-78.8	119.2	179.3	-68.6	0	0	0	0	110.2	S179 L180 K201 Y202	S179-V182 VanDerWaalsContact O-CG1 3.31Å; S179-V182 WeakPolarHBondContact O-CG1 3.48Å; S179-V182 VanDerWaalsContact O-CG2 3.26Å; S179-V182 WeakPolarHBondContact O-CG2 3.37Å; L180-V182 PolarHBondContact O-N 3.38Å; V182-K201 HydrophobicContact CG1-CB 3.8Å; V182-Y202 HydrophobicContact CB-CD2 4.29Å; V182-Y202 HydrophobicContact CG2-CD2 4.46Å
183	E	86.8	Confident	87.1	Confident	66 Å²	66	48.3 Å²	48.3	31%	0.308	25%	0.254	S	S	.	.			trans	-138.3	150.4	179	-67.3	-180	175.6	0	0	108.8	N181 N185 K355	N181-E183 PolarHBondContact O-N 3.11Å; E183-N185 VanDerWaalsContact C-N 3.29Å; E183-N185 PolarHBondContact O-N 2.88Å; E183-K355 IonicContact OE1-NZ 3.29Å; E183-K355 PolarHBondContact OE1-NZ 3.46Å; E183-K355 IonicContact OE2-NZ 2.84Å
184	A	86.2	Confident	86.7	Confident	43 Å²	43	46.1 Å²	46.1	36%	0.355	25%	0.246	S	C	.	.	S	Bend	trans	-61.5	-40.3	179	0	0	0	0	0	112.2	Y202	A184-Y202 HydrophobicContact CB-CD1 3.92Å; A184-Y202 HydrophobicContact CB-CE1 3.46Å; A184-Y202 VanDerWaalsContact CB-CE1 3.46Å
185	N	84.8	Confident	86.2	Confident	133 Å²	133	46.2 Å²	46.2	71%	0.711	25%	0.247	S	C	*	.	S	Bend	trans	-124.3	87.7	177.4	-67.9	-33.5	0	0	0	108.3	E183	E183-N185 VanDerWaalsContact C-N 3.29Å; E183-N185 PolarHBondContact O-N 2.88Å
186	P	84.1	Confident	85.8	Confident	10 Å²	10	51.6 Å²	51.6	7%	0.065	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-62.3	143.3	176.4	26.4	-32.9	0	0	0	110	D188 K199	P186-D188 PolarHBondContact O-N 3.35Å; P186-K199 HydrophobicContact CG-CB 4.27Å
187	K	79.9	Confident	85.5	Confident	155 Å²	155	52.5 Å²	52.5	67%	0.674	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-64.1	129.4	179.3	-174.9	177.6	-179	178	0	111.1	L189	K187-L189 HydrophobicContact CD-CD2 4.32Å; K187-L189 HydrophobicContact CG-CD2 4.47Å; K187-L189 PolarHBondContact O-N 3.28Å
188	D	79.9	Confident	85.3	Confident	92 Å²	92	51.7 Å²	51.7	49%	0.492	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-68.8	117.7	172.2	-64.6	16	0	0	0	110.6	P186 G193 G194	P186-D188 PolarHBondContact O-N 3.35Å; D188-G193 WeakPolarHBondContact OD1-CA 3.29Å; D188-G193 PolarHBondContact OD1-N 2.99Å; D188-G193 PolarHBondContact OD2-N 3.25Å; D188-G194 PolarHBondContact OD1-N 3.14Å
189	L	79.8	Confident	85.2	Confident	50 Å²	50	55.3 Å²	55.3	26%	0.262	29%	0.286	S	S	.	.	S	Bend	trans	-113	-68.5	172.8	-61.3	171.5	0	0	0	110.8	K187 W248 E348 A351 V352	K187-L189 HydrophobicContact CD-CD2 4.32Å; K187-L189 HydrophobicContact CG-CD2 4.47Å; K187-L189 PolarHBondContact O-N 3.28Å; L189-W248 HydrophobicContact CB-CZ2 4.19Å; L189-W248 VanDerWaalsContact O-CH2 3.28Å; L189-W248 WeakPolarHBondContact O-CH2 3.46Å; L189-W248 WeakPolarHBondContact O-CZ2 3.41Å; L189-E348 WeakPolarHBondContact CA-OE1 3.44Å; L189-E348 WeakPolarHBondContact CB-OE1 3.2Å; L189-E348 PolarHBondContact N-OE1 3.12Å; L189-A351 HydrophobicContact CD1-CB 3.63Å; L189-V352 HydrophobicContact CD1-CG2 4Å
190	Y	74.3	Confident	85.2	Confident	48 Å²	48	54.9 Å²	54.9	19%	0.188	28%	0.283	C	S	.	.	S	Bend	trans	-108.8	-39.9	-179	167.4	-113.1	0	0	0	112	W248 L324 K328 P344 I347 E348	Y190-W248 HydrophobicContact CD2-CZ3 4.21Å; Y190-W248 HydrophobicContact CG-CZ3 4.38Å; Y190-L324 HydrophobicContact CD2-CD2 4.14Å; Y190-L324 HydrophobicContact CE2-CB 4.49Å; Y190-L324 HydrophobicContact CE2-CD1 3.94Å; Y190-L324 HydrophobicContact CE2-CD2 3.47Å; Y190-L324 VanDerWaalsContact CE2-CD2 3.47Å; Y190-L324 HydrophobicContact CE2-CG 4.16Å; Y190-K328 WeakPolarHBondContact OH-CE 3.26Å; Y190-P344 HydrophobicContact CE1-CB 3.82Å; Y190-P344 HydrophobicContact CE1-CG 4.45Å; Y190-I347 HydrophobicContact CD1-CG2 4.32Å; Y190-E348 VanDerWaalsContact CA-OE2 3.24Å; Y190-E348 WeakPolarHBondContact CA-OE2 3.2Å; Y190-E348 WeakPolarHBondContact CB-OE2 3.37Å; Y190-E348 PolarHBondContact N-OE2 3.46Å
191	V	79.7	Confident	85.4	Confident	46 Å²	46	55.2 Å²	55.2	28%	0.279	28%	0.284	S	S	.	.	S	Bend	trans	-94.7	131.5	176.7	-175.8	0	0	0	0	109.9	G193 G194 P344 E348	V191-G193 PolarHBondContact O-N 2.99Å; V191-G194 PolarHBondContact O-N 3.32Å; V191-G194 VanDerWaalsContact O-N 3.11Å; V191-P344 HydrophobicContact CG2-CB 4.11Å; V191-E348 HydrophobicContact CB-CG 4.5Å; V191-E348 HydrophobicContact CG2-CB 4.22Å; V191-E348 PolarHBondContact N-OE2 3.21Å
192	K	76.4	Confident	85.6	Confident	200 Å²	200	57.6 Å²	57.6	87%	0.87	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	128.9	173.8	-66.8	-173	176.8	-174.1	0	109.6
193	G	74.1	Confident	85.9	Confident	49 Å²	49	60.4 Å²	60.4	51%	0.505	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	9.3	-173.1	0	0	0	0	0	115	D188 V191	D188-G193 WeakPolarHBondContact OD1-CA 3.29Å; D188-G193 PolarHBondContact OD1-N 2.99Å; D188-G193 PolarHBondContact OD2-N 3.25Å; V191-G193 PolarHBondContact O-N 2.99Å
194	G	84.5	Confident	86.3	Confident	3 Å²	3	57.2 Å²	57.2	3%	0.031	29%	0.29	C	S	.	.	S	Bend	trans	71.8	-163.7	175.3	0	0	0	0	0	113.5	D188 V191 E196	D188-G194 PolarHBondContact OD1-N 3.14Å; V191-G194 PolarHBondContact O-N 3.32Å; V191-G194 VanDerWaalsContact O-N 3.11Å; G194-E196 PolarHBondContact O-N 2.76Å
195	S	86.4	Confident	86.8	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.014	28%	0.275	C	S	.	.			trans	-78.6	105.6	179.8	-171	0	0	0	0	111.1	W197 L198 K199	S195-W197 PolarHBondContact O-N 2.84Å; S195-W197 VanDerWaalsContact O-N 3.16Å; S195-L198 PolarHBondContact O-N 3.08Å; S195-K199 PolarHBondContact O-N 3.21Å; S195-K199 VanDerWaalsContact O-N 3.14Å
196	E	89.3	Confident	87.3	Confident	115 Å²	115	52.7 Å²	52.7	54%	0.537	26%	0.26	S	S	.	.	H	α-helix	trans	-54.6	-32.7	172.9	-173.8	175.5	-165.1	0	0	112.3	F151 G194 K199 S200	F151-E196 HydrophobicContact CD2-CB 4.47Å; F151-E196 HydrophobicContact CD2-CG 4.14Å; G194-E196 PolarHBondContact O-N 2.76Å; E196-K199 PolarHBondContact O-N 3.21Å; E196-S200 WeakPolarHBondContact O-CB 3.45Å; E196-S200 PolarHBondContact O-N 2.98Å; E196-S200 PolarHBondContact O-OG 2.75Å
197	W	92	Very high	87.9	Confident	20 Å²	20	57.1 Å²	57.1	8%	0.076	28%	0.275	C	S	.	.	H	α-helix	trans	-59.8	-49.1	174.7	-174.1	89.4	0	0	0	112.2	R142 F151 H155 S179 S195 K199 S200 K201	R142-W197 PolarHBondContact O-NE1 2.77Å; F151-W197 AromaticContact CD1-CD1 3.94Å; F151-W197 AromaticContact CE1-CD1 3.56Å; F151-W197 HydrophobicContact CE1-CG 4.47Å; F151-W197 HydrophobicContact CZ-CB 4.41Å; H155-W197 AromaticContact CE1-CD1 3.5Å; H155-W197 VanDerWaalsContact CE1-CD1 3.5Å; H155-W197 AromaticContact CE1-NE1 3.28Å; H155-W197 PolarHBondContact CE1-NE1 3.16Å; H155-W197 VanDerWaalsContact CE1-NE1 3.28Å; H155-W197 AromaticContact NE2-NE1 3.91Å; S179-W197 WeakPolarHBondContact OG-CZ3 3.35Å; S195-W197 PolarHBondContact O-N 2.84Å; S195-W197 VanDerWaalsContact O-N 3.16Å; W197-K199 VanDerWaalsContact C-N 3.34Å; W197-K199 PolarHBondContact O-N 2.85Å; W197-S200 PolarHBondContact O-N 2.92Å; W197-S200 PolarHBondContact O-OG 3.21Å; W197-K201 HydrophobicContact CD2-CG 4.46Å; W197-K201 HydrophobicContact CH2-CG 4.29Å; W197-K201 HydrophobicContact CZ2-CG 4.17Å; W197-K201 HydrophobicContact CZ3-CG 4.49Å; W197-K201 PolarHBondContact O-N 3.44Å; W197-K201 VanDerWaalsContact O-N 3.1Å
198	L	92.5	Very high	88.7	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.016	24%	0.243	C	C	.	.	H	α-helix	trans	-64.2	-41.3	178.6	-69.2	173.7	0	0	0	111.3	N181 S195 K201 Y202 V352	N181-L198 HydrophobicContact CB-CD1 4.37Å; N181-L198 HydrophobicContact CB-CD2 4.27Å; S195-L198 PolarHBondContact O-N 3.08Å; L198-K201 PolarHBondContact O-N 3.11Å; L198-Y202 PolarHBondContact O-N 2.88Å; L198-V352 HydrophobicContact CD1-CG2 4.33Å
199	K	93.3	Very high	89.5	Confident	81 Å²	81	51.3 Å²	51.3	35%	0.352	24%	0.242	S	C	.	.	H	α-helix	trans	-61.8	-47.7	176.7	-174.6	176	179.3	176.9	0	112	P186 S195 E196 W197 K201 Y202 E203	P186-K199 HydrophobicContact CG-CB 4.27Å; S195-K199 PolarHBondContact O-N 3.21Å; S195-K199 VanDerWaalsContact O-N 3.14Å; E196-K199 PolarHBondContact O-N 3.21Å; W197-K199 VanDerWaalsContact C-N 3.34Å; W197-K199 PolarHBondContact O-N 2.85Å; K199-K201 VanDerWaalsContact C-N 3.29Å; K199-K201 PolarHBondContact O-N 3.49Å; K199-Y202 WeakPolarHBondContact O-CB 3.4Å; K199-Y202 PolarHBondContact O-N 3.03Å; K199-Y202 VanDerWaalsContact O-N 3.15Å; K199-E203 VanDerWaalsContact CE-OE1 3.27Å; K199-E203 WeakPolarHBondContact CE-OE1 3.49Å; K199-E203 PolarHBondContact O-N 3.47Å
200	S	94.4	Very high	90.3	Very high	7 Å²	7	54.4 Å²	54.4	5%	0.049	26%	0.259	C	S	.	.	H	α-helix	trans	-62.9	-33.9	178.5	68.8	0	0	0	0	112.9	H155 V156 E196 W197 G204	H155-S200 PolarHBondContact ND1-OG 3.35Å; V156-S200 WeakPolarHBondContact CG2-O 3.28Å; E196-S200 WeakPolarHBondContact O-CB 3.45Å; E196-S200 PolarHBondContact O-N 2.98Å; E196-S200 PolarHBondContact O-OG 2.75Å; W197-S200 PolarHBondContact O-N 2.92Å; W197-S200 PolarHBondContact O-OG 3.21Å; S200-G204 PolarHBondContact O-N 3.31Å
201	K	94.8	Very high	91.3	Very high	13 Å²	13	52.9 Å²	52.9	6%	0.057	26%	0.256	C	S	.	.	H	α-helix	trans	-69.7	-38.8	173.7	-80.7	-71.5	-170.1	174.7	0	112.1	H155 L177 V182 W197 L198 K199 G204 E205	H155-K201 HydrophobicContact CB-CD 4.38Å; L177-K201 PolarHBondContact O-NZ 3.41Å; L177-K201 VanDerWaalsContact O-NZ 3.16Å; V182-K201 HydrophobicContact CG1-CB 3.8Å; W197-K201 HydrophobicContact CD2-CG 4.46Å; W197-K201 HydrophobicContact CH2-CG 4.29Å; W197-K201 HydrophobicContact CZ2-CG 4.17Å; W197-K201 HydrophobicContact CZ3-CG 4.49Å; W197-K201 PolarHBondContact O-N 3.44Å; W197-K201 VanDerWaalsContact O-N 3.1Å; L198-K201 PolarHBondContact O-N 3.11Å; K199-K201 VanDerWaalsContact C-N 3.29Å; K199-K201 PolarHBondContact O-N 3.49Å; K201-G204 PolarHBondContact O-N 3.32Å; K201-E205 WeakPolarHBondContact O-CB 3.43Å; K201-E205 PolarHBondContact O-N 3.31Å
202	Y	95.1	Very high	92.1	Very high	65 Å²	65	51.4 Å²	51.4	26%	0.255	25%	0.246	S	C	.	.	H	α-helix	trans	-62.8	-48.9	173	-179.4	-98.9	0	0	0	111.8	V182 A184 L198 K199 G204 E205 L206	V182-Y202 HydrophobicContact CB-CD2 4.29Å; V182-Y202 HydrophobicContact CG2-CD2 4.46Å; A184-Y202 HydrophobicContact CB-CD1 3.92Å; A184-Y202 HydrophobicContact CB-CE1 3.46Å; A184-Y202 VanDerWaalsContact CB-CE1 3.46Å; L198-Y202 PolarHBondContact O-N 2.88Å; K199-Y202 WeakPolarHBondContact O-CB 3.4Å; K199-Y202 PolarHBondContact O-N 3.03Å; K199-Y202 VanDerWaalsContact O-N 3.15Å; Y202-G204 VanDerWaalsContact C-N 3.32Å; Y202-G204 PolarHBondContact O-N 3.22Å; Y202-E205 WeakPolarHBondContact O-CB 3.32Å; Y202-E205 PolarHBondContact O-N 3.19Å; Y202-L206 HydrophobicContact CD1-CD1 4.1Å; Y202-L206 HydrophobicContact CE1-CD1 3.53Å; Y202-L206 HydrophobicContact CE1-CG 4.23Å; Y202-L206 PolarHBondContact O-N 3.25Å; Y202-L206 VanDerWaalsContact O-N 3.16Å
203	E	95.8	Very high	92.9	Very high	67 Å²	67	45.3 Å²	45.3	31%	0.313	23%	0.227	S	C	.	.	H	α-helix	trans	-60.3	-41.7	176.2	-71.6	178.2	-168.9	0	0	111.8	V156 K199 E205 L206 R207	V156-E203 HydrophobicContact CG1-CB 4.49Å; V156-E203 HydrophobicContact CG2-CB 3.78Å; K199-E203 VanDerWaalsContact CE-OE1 3.27Å; K199-E203 WeakPolarHBondContact CE-OE1 3.49Å; K199-E203 PolarHBondContact O-N 3.47Å; E203-E205 VanDerWaalsContact C-N 3.33Å; E203-E205 PolarHBondContact O-N 2.84Å; E203-L206 PolarHBondContact O-N 2.76Å; E203-R207 WeakPolarHBondContact O-CG 3.32Å; E203-R207 PolarHBondContact O-N 3.28Å; E203-R207 VanDerWaalsContact O-N 3.09Å
204	G	95.8	Very high	93.8	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62	-39.5	175.9	0	0	0	0	0	113.1	H155 S200 K201 Y202 R207 V208	H155-G204 VanDerWaalsContact O-CA 3.28Å; H155-G204 WeakPolarHBondContact O-CA 3.43Å; S200-G204 PolarHBondContact O-N 3.31Å; K201-G204 PolarHBondContact O-N 3.32Å; Y202-G204 VanDerWaalsContact C-N 3.32Å; Y202-G204 PolarHBondContact O-N 3.22Å; G204-R207 PolarHBondContact O-N 2.89Å; G204-V208 WeakPolarHBondContact O-CB 3.45Å; G204-V208 VanDerWaalsContact O-CG2 3.27Å; G204-V208 WeakPolarHBondContact O-CG2 3.14Å; G204-V208 PolarHBondContact O-N 3.09Å
205	E	95.6	Very high	94.4	Very high	8 Å²	8	48 Å²	48	4%	0.037	23%	0.229	C	C	.	.	H	α-helix	trans	-61.3	-44.8	175.9	-170.5	-177.2	136.4	0	0	112	S178 K201 Y202 E203 V208 R209 I217 R219	S178-E205 PolarHBondContact OG-OE2 3.12Å; K201-E205 WeakPolarHBondContact O-CB 3.43Å; K201-E205 PolarHBondContact O-N 3.31Å; Y202-E205 WeakPolarHBondContact O-CB 3.32Å; Y202-E205 PolarHBondContact O-N 3.19Å; E203-E205 VanDerWaalsContact C-N 3.33Å; E203-E205 PolarHBondContact O-N 2.84Å; E205-V208 PolarHBondContact O-N 2.8Å; E205-R209 WeakPolarHBondContact O-CB 3.42Å; E205-R209 PolarHBondContact O-N 3.41Å; E205-I217 HydrophobicContact CG-CD1 3.55Å; E205-I217 HydrophobicContact CG-CG1 4.18Å; E205-I217 HydrophobicContact CG-CG2 3.9Å; E205-R219 VanDerWaalsContact CD-NH2 3.31Å; E205-R219 IonicContact OE1-CZ 3.29Å; E205-R219 IonicContact OE1-NE 2.75Å; E205-R219 PolarHBondContact OE1-NE 2.89Å; E205-R219 IonicContact OE1-NH2 3.74Å; E205-R219 PolarHBondContact OE1-NH2 3.21Å; E205-R219 IonicContact OE2-CZ 3.86Å; E205-R219 IonicContact OE2-NE 3.57Å; E205-R219 PolarHBondContact OE2-NE 3.16Å; E205-R219 IonicContact OE2-NH2 3.05Å; E205-R219 PolarHBondContact OE2-NH2 3.39Å
206	L	96.2	Very high	94.9	Very high	73 Å²	73	47.9 Å²	47.9	38%	0.382	23%	0.229	S	C	.	.	H	α-helix	trans	-60.3	-47.7	176.3	-66.3	176.7	0	0	0	111.1	Y202 E203 V208 R209 D210	Y202-L206 HydrophobicContact CD1-CD1 4.1Å; Y202-L206 HydrophobicContact CE1-CD1 3.53Å; Y202-L206 HydrophobicContact CE1-CG 4.23Å; Y202-L206 PolarHBondContact O-N 3.25Å; Y202-L206 VanDerWaalsContact O-N 3.16Å; E203-L206 PolarHBondContact O-N 2.76Å; L206-V208 PolarHBondContact O-N 2.93Å; L206-R209 WeakPolarHBondContact O-CB 3.4Å; L206-R209 PolarHBondContact O-N 3.15Å; L206-R209 VanDerWaalsContact O-N 3.14Å; L206-D210 VanDerWaalsContact O-CG 3.22Å; L206-D210 PolarHBondContact O-N 2.85Å
207	R	96.9	Very high	95.2	Very high	102 Å²	102	42.5 Å²	42.5	39%	0.385	20%	0.204	S	C	.	.	H	α-helix	trans	-64.3	-38.1	179.4	-65.1	-58.4	-177.3	80.4	0.8	113.5	V156 E160 E203 G204 R209 D210 A211	V156-R207 HydrophobicContact CG1-CG 3.78Å; E160-R207 HydrophobicContact CB-CB 3.98Å; E160-R207 HydrophobicContact CG-CB 4.1Å; E160-R207 IonicContact OE2-CZ 2.61Å; E160-R207 IonicContact OE2-NH1 3.31Å; E160-R207 PolarHBondContact OE2-NH1 3.1Å; E203-R207 WeakPolarHBondContact O-CG 3.32Å; E203-R207 PolarHBondContact O-N 3.28Å; E203-R207 VanDerWaalsContact O-N 3.09Å; G204-R207 PolarHBondContact O-N 2.89Å; R207-R209 VanDerWaalsContact C-N 3.32Å; R207-D210 PolarHBondContact O-N 3.35Å; R207-A211 VanDerWaalsContact O-CB 3.27Å; R207-A211 WeakPolarHBondContact O-CB 3.27Å; R207-A211 PolarHBondContact O-N 3.35Å
208	V	97	Very high	95.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.6	-43.5	174.1	165.2	0	0	0	0	110.4	A159 A163 F174 H176 G204 E205 L206 A211 F212 A215	A159-V208 HydrophobicContact CB-CG2 3.64Å; A163-V208 HydrophobicContact CB-CB 4.46Å; A163-V208 HydrophobicContact CB-CG1 4.27Å; A163-V208 HydrophobicContact CB-CG2 4.26Å; F174-V208 HydrophobicContact CD1-CG1 3.99Å; F174-V208 HydrophobicContact CE1-CG1 3.57Å; H176-V208 HydrophobicContact CB-CG1 4.08Å; G204-V208 WeakPolarHBondContact O-CB 3.45Å; G204-V208 VanDerWaalsContact O-CG2 3.27Å; G204-V208 WeakPolarHBondContact O-CG2 3.14Å; G204-V208 PolarHBondContact O-N 3.09Å; E205-V208 PolarHBondContact O-N 2.8Å; L206-V208 PolarHBondContact O-N 2.93Å; V208-A211 PolarHBondContact O-N 2.92Å; V208-F212 PolarHBondContact O-N 2.97Å; V208-A215 HydrophobicContact CG1-CB 4.01Å
209	R	95.9	Very high	95.6	Very high	125 Å²	125	42.6 Å²	42.6	47%	0.472	20%	0.204	S	C	.	.	H	α-helix	trans	-65.7	-39.1	178.8	-170.1	174.9	-179.3	159.1	1	112.2	E205 L206 R207 F212 P213	E205-R209 WeakPolarHBondContact O-CB 3.42Å; E205-R209 PolarHBondContact O-N 3.41Å; L206-R209 WeakPolarHBondContact O-CB 3.4Å; L206-R209 PolarHBondContact O-N 3.15Å; L206-R209 VanDerWaalsContact O-N 3.14Å; R207-R209 VanDerWaalsContact C-N 3.32Å; R209-F212 CarbonylContact O-C 3.54Å; R209-P213 VanDerWaalsContact O-CA 3.26Å; R209-P213 WeakPolarHBondContact O-CA 3.35Å
210	D	96.4	Very high	95.8	Very high	115 Å²	115	39 Å²	39	62%	0.615	19%	0.189	S	C	*	.	H	α-helix	trans	-67.2	-42.7	176	-64.9	-21.6	0	0	0	111.4	L206 R207	L206-D210 VanDerWaalsContact O-CG 3.22Å; L206-D210 PolarHBondContact O-N 2.85Å; R207-D210 PolarHBondContact O-N 3.35Å
211	A	96.2	Very high	95.8	Very high	17 Å²	17	39.1 Å²	39.1	14%	0.14	19%	0.19	C	C	.	.	H	α-helix	trans	-70	-43.2	179.4	0	0	0	0	0	112.2	A163 R164 R167 R207 V208	A163-A211 HydrophobicContact CB-CB 3.9Å; R164-A211 HydrophobicContact CB-CB 4.42Å; R167-A211 WeakPolarHBondContact CD-O 3.37Å; R167-A211 PolarHBondContact NH1-O 3.47Å; R207-A211 VanDerWaalsContact O-CB 3.27Å; R207-A211 WeakPolarHBondContact O-CB 3.27Å; R207-A211 PolarHBondContact O-N 3.35Å; V208-A211 PolarHBondContact O-N 2.92Å
212	F	95.2	Very high	95.8	Very high	15 Å²	15	39.4 Å²	39.4	7%	0.066	19%	0.192	C	C	.	.			trans	-132.5	90.3	-178	-162.4	-72.1	0	0	0	109.9	A163 R167 V171 F174 V208 R209 N214 A215	A163-F212 HydrophobicContact CB-CB 4.28Å; R167-F212 HydrophobicContact CB-CD2 3.78Å; R167-F212 HydrophobicContact CB-CE2 4.32Å; R167-F212 HydrophobicContact CG-CD2 4.47Å; V171-F212 WeakPolarHBondContact O-CZ 3.38Å; F174-F212 HydrophobicContact CB-CD1 3.73Å; F174-F212 HydrophobicContact CB-CD2 4.09Å; F174-F212 HydrophobicContact CB-CE1 3.7Å; F174-F212 HydrophobicContact CB-CE2 4.1Å; F174-F212 HydrophobicContact CB-CG 3.95Å; F174-F212 HydrophobicContact CB-CZ 3.91Å; F174-F212 HydrophobicContact CG-CG 4.41Å; V208-F212 PolarHBondContact O-N 2.97Å; R209-F212 CarbonylContact O-C 3.54Å; F212-N214 VanDerWaalsContact C-N 3.26Å; F212-N214 HydrophobicContact CD1-CB 4.23Å; F212-N214 HydrophobicContact CE1-CB 3.76Å; F212-N214 PolarHBondContact O-N 3.21Å; F212-A215 HydrophobicContact CB-CB 4.35Å; F212-A215 HydrophobicContact CD1-CB 3.87Å; F212-A215 WeakPolarHBondContact O-CB 3.43Å; F212-A215 PolarHBondContact O-N 3.35Å; F212-A215 VanDerWaalsContact O-N 3.09Å
213	P	93.6	Very high	95.8	Very high	72 Å²	72	37.5 Å²	37.5	47%	0.468	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-29.7	-174.6	-28.3	36.3	0	0	0	115.2	R209 A215	R209-P213 VanDerWaalsContact O-CA 3.26Å; R209-P213 WeakPolarHBondContact O-CA 3.35Å; P213-A215 PolarHBondContact O-N 3.46Å
214	N	93.3	Very high	95.8	Very high	104 Å²	104	34.3 Å²	34.3	56%	0.556	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	13.9	-180	-65.8	-17.9	0	0	0	112.9	F212 A278 G279	F212-N214 VanDerWaalsContact C-N 3.26Å; F212-N214 HydrophobicContact CD1-CB 4.23Å; F212-N214 HydrophobicContact CE1-CB 3.76Å; F212-N214 PolarHBondContact O-N 3.21Å; N214-A278 HydrophobicContact CB-CB 4.42Å; N214-G279 VanDerWaalsContact C-N 3.31Å; N214-G279 PolarHBondContact O-N 2.91Å
215	A	95.9	Very high	95.8	Very high	3 Å²	3	34.3 Å²	34.3	3%	0.025	17%	0.171	C	C	.	.			trans	-71.3	133.5	-175	0	0	0	0	0	110.6	F174 V208 F212 P213 G279	F174-A215 HydrophobicContact CB-CB 4.38Å; F174-A215 HydrophobicContact CD1-CB 3.82Å; F174-A215 CarbonylContact O-C 3.5Å; F174-A215 WeakPolarHBondContact O-CA 3.45Å; V208-A215 HydrophobicContact CG1-CB 4.01Å; F212-A215 HydrophobicContact CB-CB 4.35Å; F212-A215 HydrophobicContact CD1-CB 3.87Å; F212-A215 WeakPolarHBondContact O-CB 3.43Å; F212-A215 PolarHBondContact O-N 3.35Å; F212-A215 VanDerWaalsContact O-N 3.09Å; P213-A215 PolarHBondContact O-N 3.46Å; A215-G279 WeakPolarHBondContact O-CA 3.4Å; A215-G279 PolarHBondContact O-N 3.42Å
216	T	96.9	Very high	95.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	121.3	170.6	-51.5	0	0	0	0	108.7	F174 I175 H176 A271 S277 Y282	F174-T216 PolarHBondContact O-N 3.09Å; I175-T216 CarbonylContact C-O 3.52Å; I175-T216 WeakPolarHBondContact CA-O 3.34Å; H176-T216 PolarHBondContact N-O 2.89Å; T216-A271 HydrophobicContact CG2-CB 4.28Å; T216-S277 WeakPolarHBondContact CB-O 3.33Å; T216-S277 WeakPolarHBondContact CG2-O 3.49Å; T216-S277 PolarHBondContact OG1-O 3.23Å; T216-Y282 HydrophobicContact CG2-CD2 3.73Å; T216-Y282 HydrophobicContact CG2-CE2 3.74Å
217	I	97.1	Very high	95.1	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.015	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	122	-179.6	-64.9	152	0	0	0	108.8	H176 E205 R219 R280 I281 Y282	H176-I217 HydrophobicContact CB-CG1 4.35Å; H176-I217 WeakPolarHBondContact O-CA 3.48Å; E205-I217 HydrophobicContact CG-CD1 3.55Å; E205-I217 HydrophobicContact CG-CG1 4.18Å; E205-I217 HydrophobicContact CG-CG2 3.9Å; I217-R219 HydrophobicContact CG2-CG 4.21Å; I217-R280 PolarHBondContact N-O 3.32Å; I217-I281 HydrophobicContact CB-CG1 4.28Å; I217-I281 HydrophobicContact CD1-CG1 4.37Å; I217-I281 CarbonylContact O-C 3.42Å; I217-I281 VanDerWaalsContact O-CA 3.31Å; I217-I281 WeakPolarHBondContact O-CA 3.46Å; I217-Y282 PolarHBondContact O-N 3.14Å
218	I	96.6	Very high	94.9	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	122.8	175.2	-61	169.4	0	0	0	107.9	I175 H176 L177 S178 P220 I268 A284	I175-I218 HydrophobicContact CG2-CD1 3.89Å; I175-I218 HydrophobicContact CG2-CG1 4.48Å; H176-I218 PolarHBondContact O-N 2.99Å; L177-I218 HydrophobicContact CD1-CB 4Å; L177-I218 HydrophobicContact CD1-CG2 3.92Å; S178-I218 PolarHBondContact N-O 3.42Å; I218-P220 WeakPolarHBondContact O-CD 3.24Å; I218-I268 HydrophobicContact CD1-CB 4.34Å; I218-I268 HydrophobicContact CD1-CG1 3.56Å; I218-A284 HydrophobicContact CG2-CB 3.76Å
219	R	96.4	Very high	94.6	Very high	25 Å²	25	37.6 Å²	37.6	9%	0.094	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	87.3	179.2	-70.7	-172.1	-177.8	172.7	4.7	109.9	S179 E205 I217 I281 Y282 A284	S179-R219 WeakPolarHBondContact O-CB 3.42Å; S179-R219 WeakPolarHBondContact O-CG 3.26Å; E205-R219 VanDerWaalsContact CD-NH2 3.31Å; E205-R219 IonicContact OE1-CZ 3.29Å; E205-R219 IonicContact OE1-NE 2.75Å; E205-R219 PolarHBondContact OE1-NE 2.89Å; E205-R219 IonicContact OE1-NH2 3.74Å; E205-R219 PolarHBondContact OE1-NH2 3.21Å; E205-R219 IonicContact OE2-CZ 3.86Å; E205-R219 IonicContact OE2-NE 3.57Å; E205-R219 PolarHBondContact OE2-NE 3.16Å; E205-R219 IonicContact OE2-NH2 3.05Å; E205-R219 PolarHBondContact OE2-NH2 3.39Å; I217-R219 HydrophobicContact CG2-CG 4.21Å; R219-I281 HydrophobicContact CG-CG2 4.1Å; R219-Y282 PolarHBondContact N-O 3.41Å; R219-A284 PolarHBondContact O-N 3.24Å
220	P	95.9	Very high	94.5	Very high	6 Å²	6	31.8 Å²	31.8	4%	0.039	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	144.2	177.8	32.5	-37.8	0	0	0	112.5	L177 S178 S179 L180 I218 I223 V259 A284	L177-P220 HydrophobicContact CD1-CG 3.8Å; L177-P220 HydrophobicContact CD2-CG 4.39Å; L177-P220 HydrophobicContact CG-CG 4Å; S178-P220 WeakPolarHBondContact O-CD 3.19Å; S179-P220 CarbonylContact C-O 3.58Å; L180-P220 WeakPolarHBondContact CB-O 3.27Å; L180-P220 PolarHBondContact N-O 3.16Å; I218-P220 WeakPolarHBondContact O-CD 3.24Å; P220-I223 HydrophobicContact CB-CD1 3.74Å; P220-I223 HydrophobicContact CB-CG1 3.81Å; P220-I223 HydrophobicContact CG-CD1 3.99Å; P220-I223 HydrophobicContact CG-CG1 4.42Å; P220-V259 HydrophobicContact CB-CG1 4.5Å; P220-A284 WeakPolarHBondContact CA-O 3.45Å; P220-A284 HydrophobicContact CB-CB 4.05Å
221	A	94.9	Very high	94.3	Very high	8 Å²	8	26.5 Å²	26.5	7%	0.066	14%	0.139	C	C	.	.			trans	-68	-171.8	160	0	0	0	0	0	110.6	L180 I223 Q257 V259 A284	L180-A221 HydrophobicContact CD2-CB 3.99Å; A221-I223 WeakPolarHBondContact O-CG1 3.37Å; A221-I223 PolarHBondContact O-N 2.98Å; A221-Q257 WeakPolarHBondContact CB-O 3.41Å; A221-V259 HydrophobicContact CB-CG1 4.43Å; A221-A284 PolarHBondContact N-O 3.32Å
222	D	94.8	Very high	94.1	Very high	19 Å²	19	30.6 Å²	30.6	10%	0.102	15%	0.151	C	C	.	.	S	Bend	trans	-58.9	110.7	173.6	-78.4	-47.5	0	0	0	110.3	F230 K256 P258 V259	D222-F230 HydrophobicContact CB-CD2 3.75Å; D222-F230 HydrophobicContact CB-CE2 3.85Å; D222-F230 HydrophobicContact CB-CG 4.25Å; D222-F230 HydrophobicContact CB-CZ 4.43Å; D222-K256 WeakPolarHBondContact OD2-CE 3.17Å; D222-K256 IonicContact OD2-NZ 3.34Å; D222-K256 PolarHBondContact OD2-NZ 3.22Å; D222-P258 CarbonylContact O-C 3.52Å; D222-P258 WeakPolarHBondContact O-CA 3.34Å; D222-P258 WeakPolarHBondContact O-CB 3.08Å; D222-V259 PolarHBondContact O-N 2.67Å
223	I	96.3	Very high	94	Very high	25 Å²	25	30.2 Å²	30.2	13%	0.128	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	129.1	-176.7	-48.9	178.2	0	0	0	109.4	F74 V75 P220 A221 V259 V261 V264	F74-I223 HydrophobicContact CE1-CB 4.11Å; F74-I223 HydrophobicContact CE1-CG2 3.68Å; F74-I223 HydrophobicContact CZ-CG2 4.26Å; V75-I223 HydrophobicContact CG2-CD1 3.69Å; P220-I223 HydrophobicContact CB-CD1 3.74Å; P220-I223 HydrophobicContact CB-CG1 3.81Å; P220-I223 HydrophobicContact CG-CD1 3.99Å; P220-I223 HydrophobicContact CG-CG1 4.42Å; A221-I223 WeakPolarHBondContact O-CG1 3.37Å; A221-I223 PolarHBondContact O-N 2.98Å; I223-V259 WeakPolarHBondContact CA-O 3.31Å; I223-V259 HydrophobicContact CB-CG1 4.38Å; I223-V259 HydrophobicContact CG1-CG1 3.91Å; I223-V261 HydrophobicContact CG2-CB 3.61Å; I223-V261 HydrophobicContact CG2-CG2 3.97Å; I223-V264 HydrophobicContact CD1-CG1 4.38Å; I223-V264 HydrophobicContact CD1-CG2 4.43Å
224	Y	95.9	Very high	93.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	155.9	174.9	75.2	-85.9	0	0	0	112.4	D228 L231 P258 V259 Y260 V261 T371 M373 Q376 V377	Y224-D228 WeakPolarHBondContact CA-OD2 3.27Å; Y224-L231 HydrophobicContact CD2-CD1 4.25Å; Y224-P258 HydrophobicContact CD1-CB 3.89Å; Y224-P258 HydrophobicContact CE1-CB 4.38Å; Y224-V259 WeakPolarHBondContact CD1-O 3.22Å; Y224-V259 PolarHBondContact N-O 3.29Å; Y224-Y260 HydrophobicContact CD2-CD2 4.13Å; Y224-Y260 VanDerWaalsContact CE1-N 3.32Å; Y224-Y260 AromaticContact CE2-CD2 3.72Å; Y224-Y260 HydrophobicContact CE2-CD2 3.72Å; Y224-Y260 HydrophobicContact CE2-CG 4.35Å; Y224-V261 PolarHBondContact O-N 2.94Å; Y224-T371 PolarHBondContact OH-O 3.01Å; Y224-M373 HydrophobicContact CD1-CG 4.33Å; Y224-M373 HydrophobicContact CD1-SD 3.69Å; Y224-M373 HydrophobicContact CD2-SD 4.26Å; Y224-M373 HydrophobicContact CE1-CG 3.63Å; Y224-M373 HydrophobicContact CE1-SD 3.62Å; Y224-M373 HydrophobicContact CE2-CG 4.33Å; Y224-M373 HydrophobicContact CE2-SD 4.21Å; Y224-M373 HydrophobicContact CG-SD 4.01Å; Y224-M373 WeakPolarHBondContact OH-CA 3.38Å; Y224-M373 PolarHBondContact OH-N 3.28Å; Y224-Q376 HydrophobicContact CE2-CB 4.2Å; Y224-V377 HydrophobicContact CD2-CG2 4.05Å; Y224-V377 HydrophobicContact CE2-CG2 4Å
225	G	94.3	Very high	93.8	Very high	1 Å²	1	22 Å²	22	1%	0.01	10%	0.101	C	C	.	.	S	Bend	trans	154.8	-170.3	-179.8	0	0	0	0	0	112.3	E227 D228	G225-E227 PolarHBondContact O-N 3.04Å; G225-D228 VanDerWaalsContact O-CB 3.27Å; G225-D228 WeakPolarHBondContact O-CB 3.23Å; G225-D228 PolarHBondContact O-N 2.96Å
226	S	89.2	Confident	93.6	Very high	46 Å²	46	24.8 Å²	24.8	32%	0.322	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	119.1	-177.3	-25	0	0	0	0	110.3	F74 Y78 E380	F74-S226 WeakPolarHBondContact CE2-O 3.43Å; Y78-S226 VanDerWaalsContact OH-CB 3.24Å; Y78-S226 WeakPolarHBondContact OH-CB 3.34Å; Y78-S226 PolarHBondContact OH-N 3.09Å; Y78-S226 PolarHBondContact OH-O 3.23Å; Y78-S226 PolarHBondContact OH-OG 3Å; S226-E380 WeakPolarHBondContact CA-OE2 3.26Å; S226-E380 WeakPolarHBondContact CB-OE2 3.23Å; S226-E380 VanDerWaalsContact N-CD 3.28Å; S226-E380 PolarHBondContact N-OE1 2.68Å; S226-E380 PolarHBondContact N-OE2 2.96Å; S226-E380 PolarHBondContact OG-OE1 3.17Å; S226-E380 PolarHBondContact OG-OE2 3.22Å
227	E	88.8	Confident	93.2	Very high	83 Å²	83	31 Å²	31	39%	0.388	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	20.2	-172	-43	177.3	177.4	0	0	116.9	F74 R77 G225	F74-E227 HydrophobicContact CD2-CB 4.35Å; R77-E227 IonicContact CZ-OE2 2.89Å; R77-E227 VanDerWaalsContact CZ-OE2 3.31Å; R77-E227 IonicContact NH1-OE1 3.92Å; R77-E227 PolarHBondContact NH1-OE1 3.37Å; R77-E227 IonicContact NH1-OE2 3.91Å; R77-E227 PolarHBondContact NH1-OE2 3.37Å; R77-E227 IonicContact NH2-OE2 3.36Å; G225-E227 PolarHBondContact O-N 3.04Å
228	D	92.8	Very high	92.7	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.027	17%	0.166	C	C	.	.			trans	-63	165.7	173.2	79.9	-4.8	0	0	0	113.8	F74 Y224 G225 L231 R232	F74-D228 HydrophobicContact CE1-CB 4.08Å; F74-D228 HydrophobicContact CE2-CB 4.2Å; F74-D228 HydrophobicContact CZ-CB 3.73Å; Y224-D228 WeakPolarHBondContact CA-OD2 3.27Å; G225-D228 VanDerWaalsContact O-CB 3.27Å; G225-D228 WeakPolarHBondContact O-CB 3.23Å; G225-D228 PolarHBondContact O-N 2.96Å; D228-L231 VanDerWaalsContact CG-N 3.3Å; D228-L231 WeakPolarHBondContact OD1-CB 3.41Å; D228-L231 PolarHBondContact OD1-N 3.42Å; D228-L231 WeakPolarHBondContact OD2-CB 3.46Å; D228-L231 WeakPolarHBondContact OD2-CG 3.35Å; D228-L231 PolarHBondContact OD2-N 3.26Å; D228-R232 WeakPolarHBondContact O-CB 3.33Å; D228-R232 VanDerWaalsContact O-CD 3.23Å; D228-R232 WeakPolarHBondContact O-CD 3.4Å; D228-R232 VanDerWaalsContact O-CG 3.23Å; D228-R232 WeakPolarHBondContact O-CG 3.46Å; D228-R232 WeakPolarHBondContact OD1-CG 3.48Å; D228-R232 PolarHBondContact OD1-N 3.3Å
229	R	90.9	Very high	92.3	Very high	118 Å²	118	36.5 Å²	36.5	45%	0.445	17%	0.167	S	C	.	.	S	Bend	trans	-106.7	12.8	171	-63.2	-179.5	-177.9	167.7	2.5	112	D143 Y233 R346	D143-R229 VanDerWaalsContact OD2-CD 3.26Å; D143-R229 WeakPolarHBondContact OD2-CD 3.43Å; D143-R229 IonicContact OD2-CZ 3.72Å; D143-R229 IonicContact OD2-NE 3.85Å; D143-R229 IonicContact OD2-NH1 2.79Å; D143-R229 PolarHBondContact OD2-NH1 3.43Å; R229-Y233 WeakPolarHBondContact O-CB 3.39Å; R229-R346 PolarHBondContact O-NH2 3.01Å
230	F	92.9	Very high	91.9	Very high	3 Å²	3	35.8 Å²	35.8	1%	0.013	16%	0.164	C	C	.	.	S	Bend	trans	-105	-67	-179	177.8	-105.1	0	0	0	110.8	D222 Y233 Y234 P258 L295 F299	D222-F230 HydrophobicContact CB-CD2 3.75Å; D222-F230 HydrophobicContact CB-CE2 3.85Å; D222-F230 HydrophobicContact CB-CG 4.25Å; D222-F230 HydrophobicContact CB-CZ 4.43Å; F230-Y233 WeakPolarHBondContact O-CB 3.3Å; F230-Y233 PolarHBondContact O-N 3.42Å; F230-Y234 HydrophobicContact CD2-CE2 4.01Å; F230-Y234 AromaticContact CE2-CE2 3.67Å; F230-Y234 HydrophobicContact CE2-CE2 3.67Å; F230-Y234 HydrophobicContact CZ-CE2 4.04Å; F230-Y234 VanDerWaalsContact O-CD2 3.28Å; F230-Y234 WeakPolarHBondContact O-CD2 3.38Å; F230-Y234 PolarHBondContact O-N 3.37Å; F230-P258 HydrophobicContact CE1-CB 4.17Å; F230-L295 HydrophobicContact CE1-CD2 4.09Å; F230-L295 HydrophobicContact CZ-CD2 3.73Å; F230-F299 HydrophobicContact CE1-CE2 4.23Å; F230-F299 HydrophobicContact CE1-CZ 4.08Å
231	L	93.3	Very high	91.3	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	17%	0.171	C	C	.	.	H	α-helix	trans	-61.4	-46.8	175.5	-62.1	172.6	0	0	0	110.9	Y224 D228 Y233 Y234 A235 F299 V377 E380 L381	Y224-L231 HydrophobicContact CD2-CD1 4.25Å; D228-L231 VanDerWaalsContact CG-N 3.3Å; D228-L231 WeakPolarHBondContact OD1-CB 3.41Å; D228-L231 PolarHBondContact OD1-N 3.42Å; D228-L231 WeakPolarHBondContact OD2-CB 3.46Å; D228-L231 WeakPolarHBondContact OD2-CG 3.35Å; D228-L231 PolarHBondContact OD2-N 3.26Å; L231-Y233 PolarHBondContact O-N 3.47Å; L231-Y234 PolarHBondContact O-N 3.45Å; L231-A235 WeakPolarHBondContact O-CB 3.11Å; L231-A235 PolarHBondContact O-N 3.08Å; L231-F299 HydrophobicContact CD2-CD1 4.14Å; L231-F299 HydrophobicContact CD2-CD2 4.31Å; L231-F299 HydrophobicContact CD2-CE1 3.51Å; L231-F299 HydrophobicContact CD2-CE2 3.7Å; L231-F299 HydrophobicContact CD2-CZ 3.24Å; L231-V377 HydrophobicContact CD1-CG1 4.39Å; L231-V377 HydrophobicContact CD1-CG2 4.2Å; L231-V377 HydrophobicContact CD2-CG1 4.08Å; L231-V377 HydrophobicContact CD2-CG2 4.35Å; L231-E380 HydrophobicContact CD1-CB 3.9Å; L231-E380 HydrophobicContact CD1-CG 4.45Å; L231-L381 HydrophobicContact CB-CD2 4.07Å
232	R	92.2	Very high	90.9	Very high	103 Å²	103	46.1 Å²	46.1	39%	0.389	21%	0.208	S	C	.	.	H	α-helix	trans	-57.8	-35.3	177.2	-66.6	-164.1	171	-179	-4	112.5	D228 A235 H236 Y384	D228-R232 WeakPolarHBondContact O-CB 3.33Å; D228-R232 VanDerWaalsContact O-CD 3.23Å; D228-R232 WeakPolarHBondContact O-CD 3.4Å; D228-R232 VanDerWaalsContact O-CG 3.23Å; D228-R232 WeakPolarHBondContact O-CG 3.46Å; D228-R232 WeakPolarHBondContact OD1-CG 3.48Å; D228-R232 PolarHBondContact OD1-N 3.3Å; R232-A235 PolarHBondContact O-N 3.36Å; R232-H236 VanDerWaalsContact O-CB 3.3Å; R232-H236 WeakPolarHBondContact O-CB 3.35Å; R232-H236 PolarHBondContact O-N 3.34Å; R232-Y384 VanDerWaalsContact CD-OH 3.22Å; R232-Y384 WeakPolarHBondContact CD-OH 3.46Å; R232-Y384 HydrophobicContact CG-CE2 4.14Å; R232-Y384 VanDerWaalsContact CG-OH 3.26Å; R232-Y384 WeakPolarHBondContact CG-OH 3.49Å; R232-Y384 PolarHBondContact NE-OH 2.67Å
233	Y	92.3	Very high	90.4	Very high	8 Å²	8	51.5 Å²	51.5	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-66.9	-43.5	-179.3	173.3	-86.7	0	0	0	111.8	R229 F230 L231 A235 H236 R239 G340 R346 E350	R229-Y233 WeakPolarHBondContact O-CB 3.39Å; F230-Y233 WeakPolarHBondContact O-CB 3.3Å; F230-Y233 PolarHBondContact O-N 3.42Å; L231-Y233 PolarHBondContact O-N 3.47Å; Y233-A235 VanDerWaalsContact C-N 3.34Å; Y233-H236 PolarHBondContact O-N 2.87Å; Y233-R239 HydrophobicContact CD1-CG 4.2Å; Y233-R239 HydrophobicContact CE1-CG 3.76Å; Y233-R239 VanDerWaalsContact O-CB 3.28Å; Y233-R239 WeakPolarHBondContact O-CB 3.43Å; Y233-R239 WeakPolarHBondContact O-CG 3.19Å; Y233-R239 WeakPolarHBondContact OH-CD 3.39Å; Y233-R239 PolarHBondContact OH-NE 3.33Å; Y233-G340 WeakPolarHBondContact CD2-O 3.4Å; Y233-R346 HydrophobicContact CD2-CG 4.38Å; Y233-R346 HydrophobicContact CE2-CG 3.74Å; Y233-E350 WeakPolarHBondContact CD1-OE1 3.4Å; Y233-E350 WeakPolarHBondContact CE1-OE1 3.22Å; Y233-E350 WeakPolarHBondContact CE1-OE2 3.47Å; Y233-E350 PolarHBondContact OH-OE2 3.45Å
234	Y	92.3	Very high	90.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-72.7	-27	173.9	-67.5	-67	0	0	0	113.3	F230 L231 M245 L247 L292 V296 F299	F230-Y234 HydrophobicContact CD2-CE2 4.01Å; F230-Y234 AromaticContact CE2-CE2 3.67Å; F230-Y234 HydrophobicContact CE2-CE2 3.67Å; F230-Y234 HydrophobicContact CZ-CE2 4.04Å; F230-Y234 VanDerWaalsContact O-CD2 3.28Å; F230-Y234 WeakPolarHBondContact O-CD2 3.38Å; F230-Y234 PolarHBondContact O-N 3.37Å; L231-Y234 PolarHBondContact O-N 3.45Å; Y234-M245 VanDerWaalsContact O-CE 3.27Å; Y234-M245 WeakPolarHBondContact O-CE 3.39Å; Y234-L247 HydrophobicContact CE1-CD2 4.02Å; Y234-L292 HydrophobicContact CE2-CD1 4.45Å; Y234-L292 WeakPolarHBondContact OH-CD1 3.43Å; Y234-V296 HydrophobicContact CD1-CG1 4.37Å; Y234-V296 HydrophobicContact CD1-CG2 3.78Å; Y234-V296 HydrophobicContact CE1-CG2 3.8Å; Y234-V296 HydrophobicContact CG-CG2 4.19Å; Y234-F299 HydrophobicContact CD2-CD2 4.32Å; Y234-F299 HydrophobicContact CD2-CE2 4.05Å; Y234-F299 HydrophobicContact CG-CD2 4.44Å
235	A	91.2	Very high	89.9	Confident	2 Å²	2	51.6 Å²	51.6	2%	0.017	23%	0.23	C	C	.	.	H	α-helix	trans	-73.8	-27.7	174.3	0	0	0	0	0	112.8	L231 R232 Y233 M303 L381 Y384	L231-A235 WeakPolarHBondContact O-CB 3.11Å; L231-A235 PolarHBondContact O-N 3.08Å; R232-A235 PolarHBondContact O-N 3.36Å; Y233-A235 VanDerWaalsContact C-N 3.34Å; A235-M303 HydrophobicContact CB-CE 4.36Å; A235-M303 HydrophobicContact CB-SD 3.68Å; A235-L381 HydrophobicContact CB-CD2 4.41Å; A235-Y384 HydrophobicContact CB-CD1 3.74Å; A235-Y384 HydrophobicContact CB-CD2 4.01Å; A235-Y384 HydrophobicContact CB-CE1 4.18Å; A235-Y384 HydrophobicContact CB-CE2 4.43Å; A235-Y384 HydrophobicContact CB-CG 3.64Å
236	H	90.5	Very high	89.8	Confident	63 Å²	63	51.6 Å²	51.6	29%	0.292	23%	0.229	S	C	.	.			trans	-65.3	141.1	-170.8	-159.3	-100.1	0	0	0	113.4	R232 Y233 W238 R239 G340	R232-H236 VanDerWaalsContact O-CB 3.3Å; R232-H236 WeakPolarHBondContact O-CB 3.35Å; R232-H236 PolarHBondContact O-N 3.34Å; Y233-H236 PolarHBondContact O-N 2.87Å; H236-W238 AromaticContact CE1-CD1 3.2Å; H236-W238 AromaticContact CE1-CG 3.7Å; H236-W238 WeakPolarHBondContact ND1-CB 3.45Å; H236-W238 AromaticContact ND1-CD1 3.69Å; H236-W238 AromaticContact ND1-CG 3.88Å; H236-W238 PolarHBondContact ND1-N 3.01Å; H236-W238 PolarHBondContact O-N 2.84Å; H236-R239 PolarHBondContact O-N 3.13Å; H236-G340 WeakPolarHBondContact CE1-CA 3.31Å; H236-G340 WeakPolarHBondContact ND1-CA 3.13Å
237	I	88.3	Confident	90	Very high	131 Å²	131	49.5 Å²	49.5	67%	0.672	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-66.2	-40.7	-176.9	-61.8	166.7	0	0	0	111	R239 R240	I237-R239 PolarHBondContact O-N 2.86Å; I237-R239 VanDerWaalsContact O-N 3.17Å; I237-R240 WeakPolarHBondContact O-CB 3.46Å; I237-R240 PolarHBondContact O-N 3.34Å
238	W	86.3	Confident	90	Very high	114 Å²	114	47.2 Å²	47.2	43%	0.432	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-63.8	-23.6	-179	-73	75.8	0	0	0	114	H236 R240 K326 I339	H236-W238 AromaticContact CE1-CD1 3.2Å; H236-W238 AromaticContact CE1-CG 3.7Å; H236-W238 WeakPolarHBondContact ND1-CB 3.45Å; H236-W238 AromaticContact ND1-CD1 3.69Å; H236-W238 AromaticContact ND1-CG 3.88Å; H236-W238 PolarHBondContact ND1-N 3.01Å; H236-W238 PolarHBondContact O-N 2.84Å; W238-R240 PolarHBondContact O-N 3.34Å; W238-K326 WeakPolarHBondContact O-CE 3.4Å; W238-K326 PolarHBondContact O-NZ 2.67Å; W238-I339 HydrophobicContact CD2-CB 4.42Å; W238-I339 HydrophobicContact CD2-CG2 3.67Å; W238-I339 HydrophobicContact CE3-CG2 4.41Å; W238-I339 HydrophobicContact CG-CG2 3.74Å; W238-I339 HydrophobicContact CH2-CD1 4.36Å; W238-I339 HydrophobicContact CZ2-CD1 4.3Å; W238-I339 HydrophobicContact CZ2-CG2 4.18Å
239	R	89.1	Confident	89.8	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.015	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-72.1	-20.3	177.1	-175.7	53.2	-178.4	83.8	-1.1	112.7	Y233 H236 I237 M245 P246 F323 E350	Y233-R239 HydrophobicContact CD1-CG 4.2Å; Y233-R239 HydrophobicContact CE1-CG 3.76Å; Y233-R239 VanDerWaalsContact O-CB 3.28Å; Y233-R239 WeakPolarHBondContact O-CB 3.43Å; Y233-R239 WeakPolarHBondContact O-CG 3.19Å; Y233-R239 WeakPolarHBondContact OH-CD 3.39Å; Y233-R239 PolarHBondContact OH-NE 3.33Å; H236-R239 PolarHBondContact O-N 3.13Å; I237-R239 PolarHBondContact O-N 2.86Å; I237-R239 VanDerWaalsContact O-N 3.17Å; R239-M245 HydrophobicContact CG-CE 4.34Å; R239-M245 HydrophobicContact CG-SD 3.91Å; R239-P246 VanDerWaalsContact NH1-CG 3.31Å; R239-P246 PolarHBondContact NH1-O 3.31Å; R239-P246 PolarHBondContact NH2-O 3.31Å; R239-P246 WeakPolarHBondContact O-CD 3.5Å; R239-F323 VanDerWaalsContact NH1-CZ 3.33Å; R239-F323 WeakPolarHBondContact O-CE2 3.42Å; R239-E350 IonicContact NH2-OE2 2.86Å
240	R	87.1	Confident	89.7	Confident	10 Å²	10	48 Å²	48	4%	0.038	21%	0.209	C	C	.	.	S	Bend	trans	-87.1	155.8	179.6	-55.1	172.6	-171.3	-131.6	-5.1	110.6	I237 W238 M245 H300 K326	I237-R240 WeakPolarHBondContact O-CB 3.46Å; I237-R240 PolarHBondContact O-N 3.34Å; W238-R240 PolarHBondContact O-N 3.34Å; R240-M245 HydrophobicContact CG-CE 3.88Å; R240-H300 PolarHBondContact NH2-NE2 3.03Å; R240-K326 PolarHBondContact O-NZ 3.11Å
241	Q	83.9	Confident	89.4	Confident	39 Å²	39	47.9 Å²	47.9	18%	0.182	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-112.1	102.2	163.4	-170.6	66.9	-38.4	0	0	107.5	R243 S244 Y315 T322	Q241-R243 PolarHBondContact O-N 3.22Å; Q241-S244 PolarHBondContact N-O 3.17Å; Q241-S244 PolarHBondContact O-N 3.47Å; Q241-Y315 HydrophobicContact CB-CE1 4.29Å; Q241-Y315 WeakPolarHBondContact CB-OH 3.36Å; Q241-T322 PolarHBondContact NE2-OG1 2.96Å
242	F	85.6	Confident	89.2	Confident	192 Å²	192	52 Å²	52	84%	0.842	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	-117.3	-165.5	-58.3	-82.1	0	0	0	111.7
243	R	86.4	Confident	89	Confident	131 Å²	131	52 Å²	52	49%	0.494	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-3	-178.9	-57.2	176.1	82.3	161.7	6.4	112.5	Q241 W310	Q241-R243 PolarHBondContact O-N 3.22Å; R243-W310 PolarHBondContact NE-O 3.28Å; R243-W310 PolarHBondContact NH2-O 3.15Å
244	S	89.1	Confident	88.9	Confident	28 Å²	28	51.8 Å²	51.8	20%	0.196	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	150.1	-173.5	-54.4	0	0	0	0	112.2	Q241 M313	Q241-S244 PolarHBondContact N-O 3.17Å; Q241-S244 PolarHBondContact O-N 3.47Å; S244-M313 CarbonylContact C-O 3.5Å; S244-M313 WeakPolarHBondContact CA-O 3.44Å; S244-M313 WeakPolarHBondContact CB-O 3.31Å
245	M	92.4	Very high	88.9	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	113.4	177.9	-175.2	60.8	77.1	0	0	111.2	Y234 R239 R240 L247 V296 H300 Y312 M313 R314 Y315	Y234-M245 VanDerWaalsContact O-CE 3.27Å; Y234-M245 WeakPolarHBondContact O-CE 3.39Å; R239-M245 HydrophobicContact CG-CE 4.34Å; R239-M245 HydrophobicContact CG-SD 3.91Å; R240-M245 HydrophobicContact CG-CE 3.88Å; M245-L247 HydrophobicContact CG-CD2 4.22Å; M245-L247 HydrophobicContact CG-CG 4.11Å; M245-L247 PolarHBondContact O-N 3.33Å; M245-V296 HydrophobicContact CG-CG1 3.98Å; M245-H300 VanDerWaalsContact CE-CE1 3.43Å; M245-H300 WeakPolarHBondContact CE-CE1 3.17Å; M245-Y312 HydrophobicContact CB-CE2 3.67Å; M245-M313 PolarHBondContact N-O 3.2Å; M245-R314 WeakPolarHBondContact O-CA 3.33Å; M245-Y315 PolarHBondContact O-N 2.89Å
246	P	91.7	Very high	89.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	122.7	174.6	11.3	-7.6	0	0	0	110.3	R239 Y315 M317 F323	R239-P246 VanDerWaalsContact NH1-CG 3.31Å; R239-P246 PolarHBondContact NH1-O 3.31Å; R239-P246 PolarHBondContact NH2-O 3.31Å; R239-P246 WeakPolarHBondContact O-CD 3.5Å; P246-Y315 HydrophobicContact CB-CE1 3.91Å; P246-Y315 HydrophobicContact CB-CE2 4.01Å; P246-Y315 WeakPolarHBondContact CB-OH 3.27Å; P246-Y315 HydrophobicContact CG-CE1 4.08Å; P246-Y315 WeakPolarHBondContact CG-OH 3.25Å; P246-M317 HydrophobicContact CB-CB 3.79Å; P246-M317 HydrophobicContact CB-CG 3.83Å; P246-M317 HydrophobicContact CB-SD 4.35Å; P246-F323 HydrophobicContact CB-CD1 3.98Å; P246-F323 HydrophobicContact CB-CD2 4.26Å; P246-F323 HydrophobicContact CB-CE1 4.14Å; P246-F323 HydrophobicContact CB-CE2 4.42Å; P246-F323 HydrophobicContact CB-CG 4.03Å; P246-F323 HydrophobicContact CB-CZ 4.34Å; P246-F323 HydrophobicContact CG-CD1 3.95Å; P246-F323 HydrophobicContact CG-CD2 3.38Å; P246-F323 HydrophobicContact CG-CE1 3.96Å; P246-F323 HydrophobicContact CG-CE2 3.4Å; P246-F323 HydrophobicContact CG-CG 3.66Å; P246-F323 HydrophobicContact CG-CZ 3.68Å
247	L	92.1	Very high	89.2	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	149.1	172.2	-64	173.6	0	0	0	109.8	Y234 M245 H249 K250 L292 V296 R314 Y315 M317	Y234-L247 HydrophobicContact CE1-CD2 4.02Å; M245-L247 HydrophobicContact CG-CD2 4.22Å; M245-L247 HydrophobicContact CG-CG 4.11Å; M245-L247 PolarHBondContact O-N 3.33Å; L247-H249 PolarHBondContact O-N 2.82Å; L247-K250 WeakPolarHBondContact CD1-O 3.19Å; L247-K250 PolarHBondContact O-N 3.01Å; L247-L292 HydrophobicContact CD2-CD2 4.46Å; L247-V296 HydrophobicContact CD1-CB 4.22Å; L247-V296 HydrophobicContact CD1-CG1 4.3Å; L247-V296 HydrophobicContact CD1-CG2 4.22Å; L247-V296 HydrophobicContact CD2-CG2 4.37Å; L247-R314 HydrophobicContact CD1-CG 4.33Å; L247-Y315 PolarHBondContact N-O 3.19Å; L247-Y315 VanDerWaalsContact N-O 3.1Å; L247-M317 PolarHBondContact O-N 2.72Å
248	W	89.1	Confident	89.5	Confident	36 Å²	36	43.3 Å²	43.3	14%	0.136	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-64.8	122.6	173.3	-169.8	-102.6	0	0	0	109.4	L189 Y190 K250 G251 M317 R318 A351	L189-W248 HydrophobicContact CB-CZ2 4.19Å; L189-W248 VanDerWaalsContact O-CH2 3.28Å; L189-W248 WeakPolarHBondContact O-CH2 3.46Å; L189-W248 WeakPolarHBondContact O-CZ2 3.41Å; Y190-W248 HydrophobicContact CD2-CZ3 4.21Å; Y190-W248 HydrophobicContact CG-CZ3 4.38Å; W248-K250 PolarHBondContact O-N 2.82Å; W248-K250 VanDerWaalsContact O-N 3.16Å; W248-G251 PolarHBondContact O-N 3.37Å; W248-M317 HydrophobicContact CE3-CE 3.67Å; W248-M317 HydrophobicContact CZ3-CE 4.28Å; W248-R318 HydrophobicContact CD2-CG 4.06Å; W248-R318 HydrophobicContact CE3-CG 3.63Å; W248-R318 HydrophobicContact CH2-CG 3.7Å; W248-R318 HydrophobicContact CZ2-CG 4.1Å; W248-R318 HydrophobicContact CZ3-CG 3.45Å; W248-R318 VanDerWaalsContact CZ3-CG 3.45Å; W248-A351 HydrophobicContact CB-CB 3.73Å; W248-A351 HydrophobicContact CD2-CB 4.45Å; W248-A351 HydrophobicContact CG-CB 3.75Å
249	H	89	Confident	90	Very high	48 Å²	48	37.9 Å²	37.9	22%	0.222	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	50.8	36.4	-172.3	-63.5	-72.3	0	0	0	113.4	L247 G251 E252 K253 D316 R318	L247-H249 PolarHBondContact O-N 2.82Å; H249-G251 PolarHBondContact O-N 3.39Å; H249-E252 PolarHBondContact O-N 2.96Å; H249-K253 HydrophobicContact CB-CB 4.21Å; H249-K253 HydrophobicContact CB-CD 4.48Å; H249-K253 HydrophobicContact CB-CG 4.21Å; H249-D316 PolarHBondContact N-OD1 2.87Å; H249-D316 VanDerWaalsContact N-OD1 3.13Å; H249-R318 PolarHBondContact CE1-NH1 2.8Å; H249-R318 PolarHBondContact CE1-NH2 2.63Å; H249-R318 PolarHBondContact ND1-NE 3.43Å; H249-R318 PolarHBondContact ND1-NH2 3.45Å
250	K	88.1	Confident	90.4	Very high	91 Å²	91	39 Å²	39	40%	0.396	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	57.8	10.2	-173.2	-55.7	178.5	-179.3	176.2	0	115	L247 W248 E252 S293 D316	L247-K250 WeakPolarHBondContact CD1-O 3.19Å; L247-K250 PolarHBondContact O-N 3.01Å; W248-K250 PolarHBondContact O-N 2.82Å; W248-K250 VanDerWaalsContact O-N 3.16Å; K250-E252 VanDerWaalsContact C-N 3.28Å; K250-E252 HydrophobicContact CB-CG 4.33Å; K250-S293 WeakPolarHBondContact O-CB 3.42Å; K250-D316 HydrophobicContact CG-CB 4.07Å
251	G	87.2	Confident	90.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	78.2	7.4	-174	0	0	0	0	0	114.1	W248 H249 S293	W248-G251 PolarHBondContact O-N 3.37Å; H249-G251 PolarHBondContact O-N 3.39Å; G251-S293 PolarHBondContact O-N 3.2Å
252	E	88.8	Confident	91.4	Very high	91 Å²	91	38.1 Å²	38.1	43%	0.425	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-27.2	-176.6	-68.6	171.8	-172.6	0	0	112.3	H249 K250 Q291	H249-E252 PolarHBondContact O-N 2.96Å; K250-E252 VanDerWaalsContact C-N 3.28Å; K250-E252 HydrophobicContact CB-CG 4.33Å; E252-Q291 VanDerWaalsContact CA-NE2 3.32Å; E252-Q291 PolarHBondContact O-NE2 3.01Å
253	K	88.1	Confident	91.9	Very high	103 Å²	103	29.5 Å²	29.5	45%	0.448	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	17.6	179.7	-62	-164.9	173.1	-155.7	0	114	H249 F415	H249-K253 HydrophobicContact CB-CB 4.21Å; H249-K253 HydrophobicContact CB-CD 4.48Å; H249-K253 HydrophobicContact CB-CG 4.21Å; K253-F415 VanDerWaalsContact O-CE1 3.3Å; K253-F415 WeakPolarHBondContact O-CE1 3.26Å
254	T	90.7	Very high	92.4	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.012	11%	0.11	C	C	.	.			trans	-128.9	128	-177.7	-55	0	0	0	0	109.9	K256 L292 E350 A351	T254-K256 HydrophobicContact CG2-CG 4.46Å; T254-L292 HydrophobicContact CG2-CB 4.21Å; T254-L292 HydrophobicContact CG2-CD2 4.02Å; T254-L292 WeakPolarHBondContact O-CB 3.43Å; T254-L292 PolarHBondContact O-N 2.97Å; T254-E350 WeakPolarHBondContact CG2-O 3.46Å; T254-A351 PolarHBondContact OG1-O 2.89Å
255	V	93	Very high	92.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	136.1	176.3	-175.1	0	0	0	0	109.5	R289 Y290 T353 D354 I406 E411 L414 F415	V255-R289 HydrophobicContact CG1-CB 4.03Å; V255-Y290 WeakPolarHBondContact CA-O 2.86Å; V255-T353 HydrophobicContact CB-CG2 3.89Å; V255-T353 HydrophobicContact CG2-CG2 4.47Å; V255-T353 WeakPolarHBondContact O-CA 3.34Å; V255-D354 PolarHBondContact O-N 2.99Å; V255-I406 HydrophobicContact CB-CD1 4.46Å; V255-I406 HydrophobicContact CG1-CD1 4.1Å; V255-I406 HydrophobicContact CG2-CD1 3.64Å; V255-E411 HydrophobicContact CG2-CG 4.35Å; V255-L414 HydrophobicContact CG2-CD1 4.07Å; V255-F415 HydrophobicContact CG2-CE2 4.44Å; V255-F415 HydrophobicContact CG2-CZ 4.38Å
256	K	93.8	Very high	92.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	141.1	-179.3	-68.4	-62.2	-172.3	168.3	0	111.4	D222 T254 P258 Y290 L292 R349 E350 V352 D354	D222-K256 WeakPolarHBondContact OD2-CE 3.17Å; D222-K256 IonicContact OD2-NZ 3.34Å; D222-K256 PolarHBondContact OD2-NZ 3.22Å; T254-K256 HydrophobicContact CG2-CG 4.46Å; K256-P258 VanDerWaalsContact C-CD 3.44Å; K256-P258 WeakPolarHBondContact O-CD 3.28Å; K256-Y290 PolarHBondContact N-O 3.17Å; K256-Y290 PolarHBondContact O-N 3.36Å; K256-L292 HydrophobicContact CG-CD1 4.33Å; K256-R349 PolarHBondContact NZ-O 3.25Å; K256-E350 WeakPolarHBondContact CE-O 3.42Å; K256-V352 WeakPolarHBondContact CE-O 3.25Å; K256-V352 PolarHBondContact NZ-O 3.43Å; K256-D354 WeakPolarHBondContact CA-OD2 3.28Å; K256-D354 WeakPolarHBondContact CD-OD1 3.41Å; K256-D354 WeakPolarHBondContact CD-OD2 3.34Å; K256-D354 IonicContact NZ-OD1 3.49Å; K256-D354 PolarHBondContact NZ-OD1 3.5Å
257	Q	94	Very high	93.1	Very high	18 Å²	18	24.9 Å²	24.9	8%	0.084	12%	0.115	C	C	.	.			trans	-124.8	67.2	178.9	-167.8	169.7	-1.1	0	0	110.5	A221 V285 G286 R289 D354	A221-Q257 WeakPolarHBondContact CB-O 3.41Å; Q257-V285 HydrophobicContact CG-CB 4.12Å; Q257-G286 WeakPolarHBondContact CG-O 3.38Å; Q257-G286 PolarHBondContact NE2-O 3.4Å; Q257-G286 PolarHBondContact O-N 3.5Å; Q257-R289 HydrophobicContact CB-CG 4.05Å; Q257-R289 VanDerWaalsContact CD-CG 3.45Å; Q257-R289 HydrophobicContact CG-CG 3.82Å; Q257-D354 PolarHBondContact N-OD2 3.29Å
258	P	94.9	Very high	93.3	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	11%	0.114	C	C	.	.			trans	-65.9	144.9	-171.8	29.9	-36.8	0	0	0	112.1	D222 Y224 F230 K256 G286 Y290 M373	D222-P258 CarbonylContact O-C 3.52Å; D222-P258 WeakPolarHBondContact O-CA 3.34Å; D222-P258 WeakPolarHBondContact O-CB 3.08Å; Y224-P258 HydrophobicContact CD1-CB 3.89Å; Y224-P258 HydrophobicContact CE1-CB 4.38Å; F230-P258 HydrophobicContact CE1-CB 4.17Å; K256-P258 VanDerWaalsContact C-CD 3.44Å; K256-P258 WeakPolarHBondContact O-CD 3.28Å; P258-G286 WeakPolarHBondContact O-CA 3.47Å; P258-Y290 HydrophobicContact CG-CD2 4.17Å; P258-Y290 HydrophobicContact CG-CE2 4.38Å; P258-M373 HydrophobicContact CB-SD 3.89Å; P258-M373 HydrophobicContact CG-CE 3.74Å; P258-M373 HydrophobicContact CG-CG 3.97Å; P258-M373 HydrophobicContact CG-SD 3.34Å; P258-M373 WeakPolarHBondContact CG-SD 3.09Å
259	V	96.1	Very high	93.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	142.1	-174.8	67.8	0	0	0	0	111.6	P220 A221 D222 I223 Y224 V264 L363	P220-V259 HydrophobicContact CB-CG1 4.5Å; A221-V259 HydrophobicContact CB-CG1 4.43Å; D222-V259 PolarHBondContact O-N 2.67Å; I223-V259 WeakPolarHBondContact CA-O 3.31Å; I223-V259 HydrophobicContact CB-CG1 4.38Å; I223-V259 HydrophobicContact CG1-CG1 3.91Å; Y224-V259 WeakPolarHBondContact CD1-O 3.22Å; Y224-V259 PolarHBondContact N-O 3.29Å; V259-V264 HydrophobicContact CB-CG2 4.32Å; V259-V264 HydrophobicContact CG1-CG2 3.59Å; V259-V264 HydrophobicContact CG2-CG2 3.75Å; V259-L363 HydrophobicContact CG2-CD1 3.8Å
260	Y	96.8	Very high	93.8	Very high	28 Å²	28	22.7 Å²	22.7	11%	0.11	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	134.7	-179.3	-175.1	-133.5	0	0	0	111.4	Y224 S262 D263 V264 T371 Q376	Y224-Y260 HydrophobicContact CD2-CD2 4.13Å; Y224-Y260 VanDerWaalsContact CE1-N 3.32Å; Y224-Y260 AromaticContact CE2-CD2 3.72Å; Y224-Y260 HydrophobicContact CE2-CD2 3.72Å; Y224-Y260 HydrophobicContact CE2-CG 4.35Å; Y260-S262 VanDerWaalsContact C-N 3.3Å; Y260-S262 PolarHBondContact O-N 3.27Å; Y260-D263 WeakPolarHBondContact O-CB 3.38Å; Y260-D263 PolarHBondContact O-N 3.17Å; Y260-V264 PolarHBondContact O-N 3.04Å; Y260-T371 HydrophobicContact CD1-CG2 4.21Å; Y260-Q376 HydrophobicContact CE1-CG 4.41Å; Y260-Q376 HydrophobicContact CE2-CB 4.43Å; Y260-Q376 HydrophobicContact CE2-CG 4.17Å
261	V	96.5	Very high	94.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-59.9	-35.6	-175.7	66.3	0	0	0	0	113.9	F74 V75 Y78 I223 Y224 D263 V264 A265	F74-V261 HydrophobicContact CD1-CG2 4.41Å; F74-V261 HydrophobicContact CE1-CB 4.06Å; F74-V261 HydrophobicContact CE1-CG2 3.83Å; F74-V261 HydrophobicContact CE2-CB 4.24Å; F74-V261 HydrophobicContact CE2-CG1 4.17Å; F74-V261 HydrophobicContact CE2-CG2 4.06Å; F74-V261 HydrophobicContact CZ-CB 3.58Å; F74-V261 HydrophobicContact CZ-CG1 3.89Å; F74-V261 HydrophobicContact CZ-CG2 3.63Å; V75-V261 HydrophobicContact CG2-CG2 4.45Å; Y78-V261 HydrophobicContact CD1-CG1 3.95Å; Y78-V261 HydrophobicContact CD2-CB 4.31Å; Y78-V261 HydrophobicContact CD2-CG1 3.91Å; Y78-V261 HydrophobicContact CD2-CG2 3.4Å; Y78-V261 VanDerWaalsContact CD2-CG2 3.4Å; Y78-V261 HydrophobicContact CE1-CG1 3.7Å; Y78-V261 HydrophobicContact CE2-CB 4.4Å; Y78-V261 HydrophobicContact CE2-CG1 3.68Å; Y78-V261 HydrophobicContact CE2-CG2 3.84Å; Y78-V261 HydrophobicContact CG-CG1 4.05Å; Y78-V261 HydrophobicContact CG-CG2 3.81Å; I223-V261 HydrophobicContact CG2-CB 3.61Å; I223-V261 HydrophobicContact CG2-CG2 3.97Å; Y224-V261 PolarHBondContact O-N 2.94Å; V261-D263 VanDerWaalsContact C-N 3.29Å; V261-D263 PolarHBondContact O-N 2.87Å; V261-V264 PolarHBondContact O-N 3.43Å; V261-A265 WeakPolarHBondContact O-CB 3.49Å; V261-A265 PolarHBondContact O-N 3.03Å
262	S	95.5	Very high	94.3	Very high	29 Å²	29	18.9 Å²	18.9	20%	0.203	9%	0.092	C	C	.	.	H	α-helix	trans	-65	-37.4	177.7	-167.9	0	0	0	0	111	K82 Y260 A265 Q266	K82-S262 WeakPolarHBondContact CE-O 3.48Å; K82-S262 WeakPolarHBondContact CE-OG 3.3Å; K82-S262 PolarHBondContact NZ-O 2.96Å; K82-S262 PolarHBondContact NZ-OG 3.19Å; K82-S262 VanDerWaalsContact NZ-OG 3.09Å; Y260-S262 VanDerWaalsContact C-N 3.3Å; Y260-S262 PolarHBondContact O-N 3.27Å; S262-A265 PolarHBondContact O-N 2.71Å; S262-Q266 PolarHBondContact O-N 3.39Å
263	D	96.2	Very high	94.4	Very high	11 Å²	11	19.8 Å²	19.8	6%	0.059	10%	0.095	C	C	.	.	H	α-helix	trans	-69.6	-43	-178.4	-59.1	-10	0	0	0	110	Y260 V261 A265 Q266 A267 V368 T371	Y260-D263 WeakPolarHBondContact O-CB 3.38Å; Y260-D263 PolarHBondContact O-N 3.17Å; V261-D263 VanDerWaalsContact C-N 3.29Å; V261-D263 PolarHBondContact O-N 2.87Å; D263-A265 VanDerWaalsContact C-N 3.33Å; D263-A265 PolarHBondContact O-N 3.28Å; D263-Q266 WeakPolarHBondContact O-CB 3.4Å; D263-Q266 PolarHBondContact O-N 3.32Å; D263-Q266 VanDerWaalsContact O-N 3.13Å; D263-A267 WeakPolarHBondContact O-CB 3.11Å; D263-A267 PolarHBondContact O-N 2.85Å; D263-V368 HydrophobicContact CB-CG1 3.83Å; D263-T371 PolarHBondContact OD1-OG1 2.76Å; D263-T371 WeakPolarHBondContact OD2-CB 3.34Å; D263-T371 PolarHBondContact OD2-N 3.31Å; D263-T371 PolarHBondContact OD2-OG1 3.29Å
264	V	96.7	Very high	94.5	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-59.3	-44.2	172.1	-178.9	0	0	0	0	111.1	L177 I223 V259 Y260 V261 Q266 A267 I268 A284	L177-V264 HydrophobicContact CD1-CG1 4.35Å; I223-V264 HydrophobicContact CD1-CG1 4.38Å; I223-V264 HydrophobicContact CD1-CG2 4.43Å; V259-V264 HydrophobicContact CB-CG2 4.32Å; V259-V264 HydrophobicContact CG1-CG2 3.59Å; V259-V264 HydrophobicContact CG2-CG2 3.75Å; Y260-V264 PolarHBondContact O-N 3.04Å; V261-V264 PolarHBondContact O-N 3.43Å; V264-Q266 VanDerWaalsContact C-N 3.31Å; V264-Q266 PolarHBondContact O-N 2.88Å; V264-A267 WeakPolarHBondContact O-CB 3.21Å; V264-A267 PolarHBondContact O-N 2.9Å; V264-I268 HydrophobicContact CG1-CD1 4.13Å; V264-I268 WeakPolarHBondContact O-CG1 3.43Å; V264-I268 PolarHBondContact O-N 2.84Å; V264-A284 HydrophobicContact CG2-CB 4.42Å
265	A	96.6	Very high	94.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-65.2	-34	176.9	0	0	0	0	0	112.5	V79 K82 V261 S262 D263 I269	V79-A265 HydrophobicContact CG2-CB 3.87Å; K82-A265 HydrophobicContact CD-CB 3.95Å; V261-A265 WeakPolarHBondContact O-CB 3.49Å; V261-A265 PolarHBondContact O-N 3.03Å; S262-A265 PolarHBondContact O-N 2.71Å; D263-A265 VanDerWaalsContact C-N 3.33Å; D263-A265 PolarHBondContact O-N 3.28Å; A265-I269 WeakPolarHBondContact O-CD1 3.27Å; A265-I269 WeakPolarHBondContact O-CG1 3.4Å; A265-I269 PolarHBondContact O-N 2.94Å
266	Q	95.9	Very high	94.1	Very high	63 Å²	63	25.6 Å²	25.6	29%	0.294	14%	0.136	S	C	.	.	H	α-helix	trans	-65.4	-45.9	173.1	-164	57.2	44.7	0	0	110.8	K82 S262 D263 V264 I268 I269 N270 V368	K82-Q266 VanDerWaalsContact NZ-CB 3.35Å; S262-Q266 PolarHBondContact O-N 3.39Å; D263-Q266 WeakPolarHBondContact O-CB 3.4Å; D263-Q266 PolarHBondContact O-N 3.32Å; D263-Q266 VanDerWaalsContact O-N 3.13Å; V264-Q266 VanDerWaalsContact C-N 3.31Å; V264-Q266 PolarHBondContact O-N 2.88Å; Q266-I268 VanDerWaalsContact C-N 3.32Å; Q266-I268 PolarHBondContact O-N 3.5Å; Q266-I269 PolarHBondContact O-N 3.38Å; Q266-I269 VanDerWaalsContact O-N 3.08Å; Q266-N270 PolarHBondContact NE2-OD1 3.27Å; Q266-N270 PolarHBondContact O-N 3.33Å; Q266-N270 PolarHBondContact O-OD1 2.86Å; Q266-V368 HydrophobicContact CB-CG1 4.12Å; Q266-V368 HydrophobicContact CB-CG2 3.97Å; Q266-V368 HydrophobicContact CG-CG1 4.46Å; Q266-V368 HydrophobicContact CG-CG2 3.98Å
267	A	95.9	Very high	93.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.3	-43.5	-179.8	0	0	0	0	0	111.7	D263 V264 I269 N270 A271 L363 L366 V368	D263-A267 WeakPolarHBondContact O-CB 3.11Å; D263-A267 PolarHBondContact O-N 2.85Å; V264-A267 WeakPolarHBondContact O-CB 3.21Å; V264-A267 PolarHBondContact O-N 2.9Å; A267-I269 VanDerWaalsContact C-N 3.27Å; A267-I269 PolarHBondContact O-N 3.38Å; A267-N270 PolarHBondContact O-N 3.29Å; A267-A271 WeakPolarHBondContact O-CB 3.49Å; A267-A271 PolarHBondContact O-N 2.94Å; A267-L363 HydrophobicContact CB-CD2 3.37Å; A267-L363 HydrophobicContact CB-CG 4.41Å; A267-L366 HydrophobicContact CB-CD1 3.94Å; A267-V368 HydrophobicContact CB-CG2 3.99Å
268	I	96.4	Very high	93.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-57.8	-41	175.3	-70.2	163.8	0	0	0	111.2	V75 V79 I137 L139 I175 L177 I218 V264 Q266 A272	V75-I268 HydrophobicContact CG1-CD1 4.32Å; V79-I268 HydrophobicContact CG1-CG2 4.18Å; V79-I268 HydrophobicContact CG2-CB 4.48Å; V79-I268 HydrophobicContact CG2-CD1 3.65Å; V79-I268 HydrophobicContact CG2-CG2 4.4Å; I137-I268 HydrophobicContact CD1-CG2 3.77Å; I137-I268 HydrophobicContact CG1-CG2 4.35Å; I137-I268 HydrophobicContact CG2-CG2 3.92Å; L139-I268 HydrophobicContact CD2-CD1 4.14Å; I175-I268 HydrophobicContact CD1-CG2 4.23Å; I175-I268 VanDerWaalsContact CD1-O 3.29Å; I175-I268 WeakPolarHBondContact CD1-O 3.23Å; I175-I268 HydrophobicContact CG2-CG2 4.39Å; L177-I268 HydrophobicContact CD1-CD1 4.45Å; I218-I268 HydrophobicContact CD1-CB 4.34Å; I218-I268 HydrophobicContact CD1-CG1 3.56Å; V264-I268 HydrophobicContact CG1-CD1 4.13Å; V264-I268 WeakPolarHBondContact O-CG1 3.43Å; V264-I268 PolarHBondContact O-N 2.84Å; Q266-I268 VanDerWaalsContact C-N 3.32Å; Q266-I268 PolarHBondContact O-N 3.5Å; I268-A272 WeakPolarHBondContact O-CB 3.28Å; I268-A272 PolarHBondContact O-N 2.85Å
269	I	94.6	Very high	93.6	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-75.8	-38.2	-177.9	-67	168.4	0	0	0	111.6	K82 L83 A265 Q266 A267 A272 K273	K82-I269 HydrophobicContact CB-CD1 3.06Å; K82-I269 HydrophobicContact CD-CD1 4.11Å; K82-I269 HydrophobicContact CG-CD1 4.22Å; L83-I269 HydrophobicContact CD2-CD1 4.21Å; L83-I269 HydrophobicContact CD2-CG1 3.84Å; L83-I269 HydrophobicContact CG-CD1 4.09Å; L83-I269 HydrophobicContact CG-CG1 4.1Å; A265-I269 WeakPolarHBondContact O-CD1 3.27Å; A265-I269 WeakPolarHBondContact O-CG1 3.4Å; A265-I269 PolarHBondContact O-N 2.94Å; Q266-I269 PolarHBondContact O-N 3.38Å; Q266-I269 VanDerWaalsContact O-N 3.08Å; A267-I269 VanDerWaalsContact C-N 3.27Å; A267-I269 PolarHBondContact O-N 3.38Å; I269-A272 PolarHBondContact O-N 3.19Å; I269-K273 WeakPolarHBondContact O-CG 3.4Å; I269-K273 PolarHBondContact O-N 3.22Å
270	N	94.7	Very high	93.5	Very high	37 Å²	37	33.1 Å²	33.1	20%	0.198	18%	0.18	C	C	.	.	H	α-helix	trans	-65.8	-43.7	175.1	-68	2.4	0	0	0	109.8	Q266 A267 A272 K273 D274 L366	Q266-N270 PolarHBondContact NE2-OD1 3.27Å; Q266-N270 PolarHBondContact O-N 3.33Å; Q266-N270 PolarHBondContact O-OD1 2.86Å; A267-N270 PolarHBondContact O-N 3.29Å; N270-A272 VanDerWaalsContact C-N 3.29Å; N270-A272 PolarHBondContact O-N 3.13Å; N270-K273 PolarHBondContact O-N 3.35Å; N270-D274 WeakPolarHBondContact O-CB 3.49Å; N270-D274 PolarHBondContact O-N 3.16Å; N270-L366 HydrophobicContact CB-CB 4.5Å; N270-L366 WeakPolarHBondContact CB-O 3.44Å; N270-L366 PolarHBondContact ND2-O 3.29Å
271	A	94.3	Very high	93.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.8	-36.8	173.5	0	0	0	0	0	112.6	I175 T216 A267 K273 S277 L366	I175-A271 HydrophobicContact CD1-CB 4.26Å; T216-A271 HydrophobicContact CG2-CB 4.28Å; A267-A271 WeakPolarHBondContact O-CB 3.49Å; A267-A271 PolarHBondContact O-N 2.94Å; A271-K273 PolarHBondContact O-N 3.29Å; A271-S277 PolarHBondContact O-OG 3.15Å; A271-L366 HydrophobicContact CB-CD1 4.39Å; A271-L366 HydrophobicContact CB-CD2 4.22Å
272	A	91.7	Very high	93.4	Very high	11 Å²	11	33.6 Å²	33.6	9%	0.091	18%	0.183	C	C	.	.	H	α-helix	trans	-65.4	-24.4	175.3	0	0	0	0	0	113.6	V135 I175 I268 I269 N270	V135-A272 HydrophobicContact CG1-CB 4.03Å; I175-A272 HydrophobicContact CD1-CB 3.78Å; I268-A272 WeakPolarHBondContact O-CB 3.28Å; I268-A272 PolarHBondContact O-N 2.85Å; I269-A272 PolarHBondContact O-N 3.19Å; N270-A272 VanDerWaalsContact C-N 3.29Å; N270-A272 PolarHBondContact O-N 3.13Å
273	K	89.6	Confident	93.4	Very high	111 Å²	111	32.2 Å²	32.2	48%	0.483	17%	0.174	S	C	.	.	H	α-helix	trans	-97.1	-30.5	-179.7	-67.8	174.1	-177.1	176.4	0	112.8	I64 I269 N270 A271 P275	I64-K273 HydrophobicContact CD1-CG 4.03Å; I269-K273 WeakPolarHBondContact O-CG 3.4Å; I269-K273 PolarHBondContact O-N 3.22Å; N270-K273 PolarHBondContact O-N 3.35Å; A271-K273 PolarHBondContact O-N 3.29Å; K273-P275 WeakPolarHBondContact O-CD 3.28Å
274	D	90.1	Very high	93.3	Very high	44 Å²	44	31.7 Å²	31.7	24%	0.235	17%	0.171	C	C	.	.			trans	-76	120	-176.1	-179.7	9.8	0	0	0	110.7	R173 N270 D276 S277	R173-D274 PolarHBondContact NH1-O 3.16Å; N270-D274 WeakPolarHBondContact O-CB 3.49Å; N270-D274 PolarHBondContact O-N 3.16Å; D274-D276 VanDerWaalsContact C-N 3.26Å; D274-D276 PolarHBondContact O-N 2.92Å; D274-D276 WeakPolarHBondContact OD1-CB 3.41Å; D274-D276 PolarHBondContact OD1-N 3.01Å; D274-S277 PolarHBondContact O-OG 2.65Å
275	P	86.1	Confident	93.2	Very high	84 Å²	84	32.2 Å²	32.2	55%	0.545	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-64.6	-30.4	176.9	26	-34	0	0	0	113.2	R173 K273 S277	R173-P275 PolarHBondContact NH1-O 3.48Å; R173-P275 VanDerWaalsContact NH2-CA 3.27Å; R173-P275 PolarHBondContact NH2-O 2.9Å; K273-P275 WeakPolarHBondContact O-CD 3.28Å; P275-S277 PolarHBondContact O-N 3.05Å
276	D	90.1	Very high	93.1	Very high	99 Å²	99	32.3 Å²	32.3	53%	0.529	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-77.4	-11.4	-173.5	-69.7	-18.3	0	0	0	113.1	D274 A278 R280	D274-D276 VanDerWaalsContact C-N 3.26Å; D274-D276 PolarHBondContact O-N 2.92Å; D274-D276 WeakPolarHBondContact OD1-CB 3.41Å; D274-D276 PolarHBondContact OD1-N 3.01Å; D276-A278 PolarHBondContact O-N 3.11Å; D276-R280 WeakPolarHBondContact O-CD 3.5Å; D276-R280 PolarHBondContact O-NE 3.43Å
277	S	89.3	Confident	92.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-72.2	-12.6	179.8	72.8	0	0	0	0	114.3	R173 T216 A271 D274 P275 G279 R280 Y282	R173-S277 PolarHBondContact NH1-OG 3Å; T216-S277 WeakPolarHBondContact CB-O 3.33Å; T216-S277 WeakPolarHBondContact CG2-O 3.49Å; T216-S277 PolarHBondContact OG1-O 3.23Å; A271-S277 PolarHBondContact O-OG 3.15Å; D274-S277 PolarHBondContact O-OG 2.65Å; P275-S277 PolarHBondContact O-N 3.05Å; S277-G279 PolarHBondContact O-N 3.14Å; S277-R280 PolarHBondContact O-N 3.49Å; S277-Y282 WeakPolarHBondContact CA-OH 3.16Å
278	A	90.9	Very high	92.7	Very high	36 Å²	36	35.4 Å²	35.4	30%	0.298	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	129.2	-176.4	0	0	0	0	0	111.4	N214 D276 R280	N214-A278 HydrophobicContact CB-CB 4.42Å; D276-A278 PolarHBondContact O-N 3.11Å; A278-R280 PolarHBondContact O-N 2.88Å; A278-R280 VanDerWaalsContact O-N 3.16Å
279	G	92.2	Very high	92.5	Very high	28 Å²	28	37.8 Å²	37.8	29%	0.289	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	4.3	178.3	0	0	0	0	0	115.1	N214 A215 S277	N214-G279 VanDerWaalsContact C-N 3.31Å; N214-G279 PolarHBondContact O-N 2.91Å; A215-G279 WeakPolarHBondContact O-CA 3.4Å; A215-G279 PolarHBondContact O-N 3.42Å; S277-G279 PolarHBondContact O-N 3.14Å
280	R	94.3	Very high	92.4	Very high	113 Å²	113	37.8 Å²	37.8	43%	0.426	20%	0.202	S	C	.	.			trans	-91	149.8	179	-65.5	-170.6	-177.5	169.8	7.5	111.8	I217 D276 S277 A278 Y282	I217-R280 PolarHBondContact N-O 3.32Å; D276-R280 WeakPolarHBondContact O-CD 3.5Å; D276-R280 PolarHBondContact O-NE 3.43Å; S277-R280 PolarHBondContact O-N 3.49Å; A278-R280 PolarHBondContact O-N 2.88Å; A278-R280 VanDerWaalsContact O-N 3.16Å; R280-Y282 HydrophobicContact CB-CD2 4.3Å; R280-Y282 HydrophobicContact CB-CE2 3.63Å
281	I	95.3	Very high	92.3	Very high	33 Å²	33	37.3 Å²	37.3	17%	0.169	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	130.3	170.8	-57.5	175.1	0	0	0	107.1	I217 R219 V360	I217-I281 HydrophobicContact CB-CG1 4.28Å; I217-I281 HydrophobicContact CD1-CG1 4.37Å; I217-I281 CarbonylContact O-C 3.42Å; I217-I281 VanDerWaalsContact O-CA 3.31Å; I217-I281 WeakPolarHBondContact O-CA 3.46Å; R219-I281 HydrophobicContact CG-CG2 4.1Å; I281-V360 HydrophobicContact CB-CG1 4.37Å; I281-V360 HydrophobicContact CG2-CG1 4.23Å; I281-V360 WeakPolarHBondContact O-CG1 3.08Å
282	Y	95.6	Very high	92.2	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	132.2	176.2	-68.3	-90.7	0	0	0	110	T216 I217 R219 S277 R280 P361 L366	T216-Y282 HydrophobicContact CG2-CD2 3.73Å; T216-Y282 HydrophobicContact CG2-CE2 3.74Å; I217-Y282 PolarHBondContact O-N 3.14Å; R219-Y282 PolarHBondContact N-O 3.41Å; S277-Y282 WeakPolarHBondContact CA-OH 3.16Å; R280-Y282 HydrophobicContact CB-CD2 4.3Å; R280-Y282 HydrophobicContact CB-CE2 3.63Å; Y282-P361 CarbonylContact C-O 3.58Å; Y282-P361 WeakPolarHBondContact CA-O 3.39Å; Y282-P361 HydrophobicContact CD1-CB 3.56Å; Y282-P361 HydrophobicContact CE1-CB 3.6Å; Y282-P361 HydrophobicContact CE1-CG 4.37Å; Y282-L366 HydrophobicContact CD1-CD1 3.67Å; Y282-L366 HydrophobicContact CD1-CD2 4.2Å; Y282-L366 HydrophobicContact CD1-CG 3.74Å; Y282-L366 HydrophobicContact CD2-CD1 4.35Å; Y282-L366 HydrophobicContact CE1-CD1 3.97Å; Y282-L366 HydrophobicContact CE1-CD2 3.59Å; Y282-L366 HydrophobicContact CE1-CG 3.57Å; Y282-L366 HydrophobicContact CE2-CD2 4.27Å; Y282-L366 HydrophobicContact CG-CD1 3.89Å; Y282-L366 HydrophobicContact CG-CG 4.41Å
283	Q	95.3	Very high	92.3	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	113.6	171.6	-71.4	-168.7	-18.2	0	0	110.1	L180 V285 L357 V360 P361 T362	L180-Q283 HydrophobicContact CD1-CB 3.99Å; L180-Q283 HydrophobicContact CD1-CG 3.85Å; Q283-V285 HydrophobicContact CB-CG1 4.37Å; Q283-V285 PolarHBondContact O-N 3.09Å; Q283-L357 VanDerWaalsContact NE2-CG 3.28Å; Q283-V360 HydrophobicContact CG-CB 4.18Å; Q283-V360 HydrophobicContact CG-CG1 3.81Å; Q283-P361 PolarHBondContact N-O 2.81Å; Q283-T362 WeakPolarHBondContact O-CA 3.39Å
284	A	94.8	Very high	92.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	82.1	179.9	0	0	0	0	0	110.5	I218 R219 P220 A221 V264 L363	I218-A284 HydrophobicContact CG2-CB 3.76Å; R219-A284 PolarHBondContact O-N 3.24Å; P220-A284 WeakPolarHBondContact CA-O 3.45Å; P220-A284 HydrophobicContact CB-CB 4.05Å; A221-A284 PolarHBondContact N-O 3.32Å; V264-A284 HydrophobicContact CG2-CB 4.42Å; A284-L363 HydrophobicContact CB-CD1 3.92Å; A284-L363 HydrophobicContact CB-CD2 3.53Å; A284-L363 HydrophobicContact CB-CG 3.9Å
285	V	94.6	Very high	92.5	Very high	10 Å²	10	32 Å²	32	6%	0.061	17%	0.172	C	C	.	.			trans	-107.4	148.6	-178.2	-63.5	0	0	0	0	111.4	L180 Q257 Q283 V356 T362	L180-V285 HydrophobicContact CD1-CG1 3.87Å; L180-V285 HydrophobicContact CD2-CG1 3.96Å; Q257-V285 HydrophobicContact CG-CB 4.12Å; Q283-V285 HydrophobicContact CB-CG1 4.37Å; Q283-V285 PolarHBondContact O-N 3.09Å; V285-V356 HydrophobicContact CG1-CG2 4.09Å; V285-T362 HydrophobicContact CG2-CG2 4.42Å
286	G	92.6	Very high	92.8	Very high	2 Å²	2	28 Å²	28	2%	0.021	15%	0.146	C	C	.	.			trans	-75.3	171.9	173.7	0	0	0	0	0	113.4	Q257 P258 K288	Q257-G286 WeakPolarHBondContact CG-O 3.38Å; Q257-G286 PolarHBondContact NE2-O 3.4Å; Q257-G286 PolarHBondContact O-N 3.5Å; P258-G286 WeakPolarHBondContact O-CA 3.47Å; G286-K288 VanDerWaalsContact C-N 3.32Å; G286-K288 PolarHBondContact O-N 3.29Å
287	P	91.8	Very high	92.9	Very high	54 Å²	54	24.7 Å²	24.7	35%	0.351	13%	0.129	S	C	.	.	S	Bend	trans	-72.9	-22	-173.2	27.4	-33.6	0	0	0	114.1	L370 T372	P287-L370 HydrophobicContact CB-CB 4.11Å; P287-L370 HydrophobicContact CB-CD1 4.21Å; P287-L370 HydrophobicContact CG-CB 4.25Å; P287-T372 HydrophobicContact CG-CG2 3.87Å
288	K	91.8	Very high	93.1	Very high	75 Å²	75	24.9 Å²	24.9	33%	0.326	13%	0.129	S	C	.	.			trans	-134.5	144.1	-171.4	-72	172.2	167.6	-162.6	0	111.3	G286 Y290 E374 C405	G286-K288 VanDerWaalsContact C-N 3.32Å; G286-K288 PolarHBondContact O-N 3.29Å; K288-Y290 HydrophobicContact CB-CE1 4.08Å; K288-Y290 HydrophobicContact CB-CE2 3.81Å; K288-Y290 VanDerWaalsContact CB-CZ 3.49Å; K288-Y290 WeakPolarHBondContact CB-OH 3.01Å; K288-Y290 HydrophobicContact CD-CE1 4.4Å; K288-Y290 WeakPolarHBondContact CD-OH 3.43Å; K288-Y290 WeakPolarHBondContact O-CE2 2.77Å; K288-E374 WeakPolarHBondContact CD-OE1 3.22Å; K288-E374 IonicContact NZ-OE1 2.7Å; K288-E374 PolarHBondContact NZ-OE1 2.86Å; K288-E374 IonicContact NZ-OE2 2.69Å; K288-C405 VanDerWaalsContact CD-SG 3.54Å
289	R	92.5	Very high	93.2	Very high	49 Å²	49	23.2 Å²	23.2	19%	0.185	12%	0.116	C	C	.	.			trans	-101.7	131.3	176.7	-59.5	-173.8	80.6	-162.2	-8.2	109.9	V255 Q257 D354 C405 I406 E411	V255-R289 HydrophobicContact CG1-CB 4.03Å; Q257-R289 HydrophobicContact CB-CG 4.05Å; Q257-R289 VanDerWaalsContact CD-CG 3.45Å; Q257-R289 HydrophobicContact CG-CG 3.82Å; R289-D354 PolarHBondContact NH2-O 3.46Å; R289-C405 WeakPolarHBondContact O-CA 3.31Å; R289-I406 PolarHBondContact O-N 2.76Å; R289-E411 IonicContact CZ-OE1 3.27Å; R289-E411 IonicContact CZ-OE2 2.77Å; R289-E411 IonicContact NH1-OE1 3.42Å; R289-E411 PolarHBondContact NH1-OE1 3.34Å; R289-E411 IonicContact NH1-OE2 2.64Å; R289-E411 PolarHBondContact NH1-OE2 3.16Å; R289-E411 IonicContact NH2-OE1 2.85Å; R289-E411 PolarHBondContact NH2-OE1 3.15Å; R289-E411 IonicContact NH2-OE2 2.76Å; R289-E411 PolarHBondContact NH2-OE2 3.22Å
290	Y	92.8	Very high	93.2	Very high	2 Å²	2	22 Å²	22	1%	0.008	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	144.3	-175.1	-56	-75.6	0	0	0	111.2	V255 K256 P258 K288 L295 M373 E374 P403	V255-Y290 WeakPolarHBondContact CA-O 2.86Å; K256-Y290 PolarHBondContact N-O 3.17Å; K256-Y290 PolarHBondContact O-N 3.36Å; P258-Y290 HydrophobicContact CG-CD2 4.17Å; P258-Y290 HydrophobicContact CG-CE2 4.38Å; K288-Y290 HydrophobicContact CB-CE1 4.08Å; K288-Y290 HydrophobicContact CB-CE2 3.81Å; K288-Y290 VanDerWaalsContact CB-CZ 3.49Å; K288-Y290 WeakPolarHBondContact CB-OH 3.01Å; K288-Y290 HydrophobicContact CD-CE1 4.4Å; K288-Y290 WeakPolarHBondContact CD-OH 3.43Å; K288-Y290 WeakPolarHBondContact O-CE2 2.77Å; Y290-L295 HydrophobicContact CD1-CD1 4.37Å; Y290-L295 HydrophobicContact CD2-CD1 3.87Å; Y290-L295 HydrophobicContact CG-CD1 3.72Å; Y290-M373 HydrophobicContact CD2-CE 4.45Å; Y290-M373 HydrophobicContact CE2-CB 4.37Å; Y290-M373 HydrophobicContact CE2-CE 4.31Å; Y290-M373 HydrophobicContact CE2-CG 4.03Å; Y290-E374 PolarHBondContact OH-OE1 2.95Å; Y290-E374 PolarHBondContact OH-OE2 3.36Å; Y290-P403 HydrophobicContact CD1-CB 4.04Å; Y290-P403 HydrophobicContact CD1-CG 3.61Å; Y290-P403 HydrophobicContact CE1-CB 4.47Å; Y290-P403 HydrophobicContact CE1-CG 3.64Å; Y290-P403 HydrophobicContact CG-CG 4.47Å
291	Q	92.9	Very high	93	Very high	28 Å²	28	21 Å²	21	13%	0.131	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	134.7	166.2	-151.7	176.5	11.3	0	0	109.1	E252 S293 E294 L295 I406	E252-Q291 VanDerWaalsContact CA-NE2 3.32Å; E252-Q291 PolarHBondContact O-NE2 3.01Å; Q291-S293 VanDerWaalsContact C-N 3.26Å; Q291-S293 VanDerWaalsContact CG-OG 3.31Å; Q291-S293 WeakPolarHBondContact CG-OG 3.39Å; Q291-S293 PolarHBondContact O-N 3.22Å; Q291-S293 PolarHBondContact OE1-OG 2.93Å; Q291-E294 HydrophobicContact CB-CB 4.35Å; Q291-E294 HydrophobicContact CB-CG 4.26Å; Q291-E294 PolarHBondContact O-N 3.21Å; Q291-L295 VanDerWaalsContact O-CB 3.27Å; Q291-L295 WeakPolarHBondContact O-CB 3.37Å; Q291-L295 PolarHBondContact O-N 3.22Å; Q291-I406 HydrophobicContact CB-CD1 3.62Å; Q291-I406 HydrophobicContact CB-CG1 4.36Å; Q291-I406 HydrophobicContact CG-CD1 3.98Å
292	L	92.8	Very high	92.8	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.021	9%	0.094	C	C	.	.	H	α-helix	trans	-61	-38	-178.7	179.6	62.2	0	0	0	111.8	Y234 L247 T254 K256 L295 V296	Y234-L292 HydrophobicContact CE2-CD1 4.45Å; Y234-L292 WeakPolarHBondContact OH-CD1 3.43Å; L247-L292 HydrophobicContact CD2-CD2 4.46Å; T254-L292 HydrophobicContact CG2-CB 4.21Å; T254-L292 HydrophobicContact CG2-CD2 4.02Å; T254-L292 WeakPolarHBondContact O-CB 3.43Å; T254-L292 PolarHBondContact O-N 2.97Å; K256-L292 HydrophobicContact CG-CD1 4.33Å; L292-L295 PolarHBondContact O-N 2.78Å; L292-V296 HydrophobicContact CD1-CG2 3.83Å; L292-V296 HydrophobicContact CG-CG2 4.31Å; L292-V296 WeakPolarHBondContact O-CB 3.25Å; L292-V296 VanDerWaalsContact O-CG2 3.24Å; L292-V296 WeakPolarHBondContact O-CG2 3.31Å; L292-V296 PolarHBondContact O-N 2.95Å
293	S	92.3	Very high	92.6	Very high	3 Å²	3	20 Å²	20	2%	0.021	9%	0.093	C	C	.	.	H	α-helix	trans	-54.4	-59.6	174.7	54	0	0	0	0	111.1	K250 G251 Q291 L295 V296 D297 R314	K250-S293 WeakPolarHBondContact O-CB 3.42Å; G251-S293 PolarHBondContact O-N 3.2Å; Q291-S293 VanDerWaalsContact C-N 3.26Å; Q291-S293 VanDerWaalsContact CG-OG 3.31Å; Q291-S293 WeakPolarHBondContact CG-OG 3.39Å; Q291-S293 PolarHBondContact O-N 3.22Å; Q291-S293 PolarHBondContact OE1-OG 2.93Å; S293-L295 VanDerWaalsContact C-N 3.31Å; S293-L295 PolarHBondContact O-N 3.22Å; S293-V296 PolarHBondContact O-N 3.27Å; S293-D297 PolarHBondContact O-N 3.2Å; S293-R314 PolarHBondContact O-NH1 3.2Å
294	E	92.1	Very high	92.3	Very high	47 Å²	47	22 Å²	22	22%	0.22	10%	0.101	C	C	.	.	H	α-helix	trans	-62.7	-38.1	-178.1	-65.6	-161.1	165.7	0	0	112.6	Q291 D297 W298 P403 K404	Q291-E294 HydrophobicContact CB-CB 4.35Å; Q291-E294 HydrophobicContact CB-CG 4.26Å; Q291-E294 PolarHBondContact O-N 3.21Å; E294-D297 PolarHBondContact O-N 3.07Å; E294-W298 WeakPolarHBondContact O-CB 3.46Å; E294-W298 PolarHBondContact O-N 3.32Å; E294-P403 HydrophobicContact CB-CB 4.34Å; E294-K404 WeakPolarHBondContact OE2-CA 3.43Å; E294-K404 WeakPolarHBondContact OE2-CB 3.17Å; E294-K404 PolarHBondContact OE2-N 3.25Å
295	L	93.1	Very high	91.9	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-59.2	-48.8	177.3	-163.9	76.7	0	0	0	111.3	F230 Y290 Q291 L292 S293 W298 F299 M373 P403	F230-L295 HydrophobicContact CE1-CD2 4.09Å; F230-L295 HydrophobicContact CZ-CD2 3.73Å; Y290-L295 HydrophobicContact CD1-CD1 4.37Å; Y290-L295 HydrophobicContact CD2-CD1 3.87Å; Y290-L295 HydrophobicContact CG-CD1 3.72Å; Q291-L295 VanDerWaalsContact O-CB 3.27Å; Q291-L295 WeakPolarHBondContact O-CB 3.37Å; Q291-L295 PolarHBondContact O-N 3.22Å; L292-L295 PolarHBondContact O-N 2.78Å; S293-L295 VanDerWaalsContact C-N 3.31Å; S293-L295 PolarHBondContact O-N 3.22Å; L295-W298 PolarHBondContact O-N 2.93Å; L295-F299 HydrophobicContact CD1-CE1 4.23Å; L295-F299 HydrophobicContact CD1-CZ 4.04Å; L295-F299 HydrophobicContact CD2-CE2 3.9Å; L295-F299 HydrophobicContact CD2-CZ 3.63Å; L295-F299 HydrophobicContact CG-CE1 3.99Å; L295-F299 HydrophobicContact CG-CE2 3.88Å; L295-F299 HydrophobicContact CG-CZ 3.46Å; L295-F299 VanDerWaalsContact CG-CZ 3.46Å; L295-F299 WeakPolarHBondContact O-CD1 3.14Å; L295-F299 VanDerWaalsContact O-CG 3.27Å; L295-F299 WeakPolarHBondContact O-CG 3.26Å; L295-F299 PolarHBondContact O-N 2.96Å; L295-M373 HydrophobicContact CD1-CE 3.21Å; L295-M373 HydrophobicContact CD2-CE 4.33Å; L295-M373 HydrophobicContact CG-CE 4.13Å; L295-P403 HydrophobicContact CD1-CG 4.36Å
296	V	92.8	Very high	91.4	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-69.3	-37.6	-178.7	176.3	0	0	0	0	111.3	Y234 M245 L247 L292 S293 W298 F299 H300 Y312	Y234-V296 HydrophobicContact CD1-CG1 4.37Å; Y234-V296 HydrophobicContact CD1-CG2 3.78Å; Y234-V296 HydrophobicContact CE1-CG2 3.8Å; Y234-V296 HydrophobicContact CG-CG2 4.19Å; M245-V296 HydrophobicContact CG-CG1 3.98Å; L247-V296 HydrophobicContact CD1-CB 4.22Å; L247-V296 HydrophobicContact CD1-CG1 4.3Å; L247-V296 HydrophobicContact CD1-CG2 4.22Å; L247-V296 HydrophobicContact CD2-CG2 4.37Å; L292-V296 HydrophobicContact CD1-CG2 3.83Å; L292-V296 HydrophobicContact CG-CG2 4.31Å; L292-V296 WeakPolarHBondContact O-CB 3.25Å; L292-V296 VanDerWaalsContact O-CG2 3.24Å; L292-V296 WeakPolarHBondContact O-CG2 3.31Å; L292-V296 PolarHBondContact O-N 2.95Å; S293-V296 PolarHBondContact O-N 3.27Å; V296-W298 VanDerWaalsContact C-N 3.31Å; V296-W298 PolarHBondContact O-N 2.98Å; V296-F299 PolarHBondContact O-N 2.73Å; V296-H300 PolarHBondContact O-N 2.78Å; V296-H300 VanDerWaalsContact O-N 3.08Å; V296-H300 PolarHBondContact O-ND1 2.94Å; V296-Y312 WeakPolarHBondContact CG1-OH 3.28Å
297	D	92.1	Very high	90.9	Very high	29 Å²	29	30.6 Å²	30.6	16%	0.155	14%	0.141	C	C	.	.	H	α-helix	trans	-60	-44.7	172.2	-85	6.1	0	0	0	111.5	S293 E294 F299 H300 R301 Y312 R314	S293-D297 PolarHBondContact O-N 3.2Å; E294-D297 PolarHBondContact O-N 3.07Å; D297-F299 VanDerWaalsContact C-N 3.31Å; D297-F299 PolarHBondContact O-N 2.75Å; D297-H300 PolarHBondContact O-N 3Å; D297-H300 VanDerWaalsContact O-N 3.15Å; D297-R301 WeakPolarHBondContact O-CG 3.24Å; D297-R301 PolarHBondContact O-N 2.88Å; D297-Y312 WeakPolarHBondContact OD1-CE1 3.37Å; D297-R314 VanDerWaalsContact OD1-CD 3.24Å; D297-R314 WeakPolarHBondContact OD1-CD 3.45Å; D297-R314 IonicContact OD1-CZ 3.22Å; D297-R314 IonicContact OD1-NE 2.96Å; D297-R314 PolarHBondContact OD1-NE 2.89Å; D297-R314 IonicContact OD1-NH1 3.19Å; D297-R314 PolarHBondContact OD1-NH1 2.79Å; D297-R314 IonicContact OD1-NH2 2.67Å; D297-R314 IonicContact OD2-CZ 3Å; D297-R314 IonicContact OD2-NE 3.97Å; D297-R314 IonicContact OD2-NH1 2.64Å; D297-R314 PolarHBondContact OD2-NH1 3.32Å; D297-R314 IonicContact OD2-NH2 3.01Å; D297-R314 PolarHBondContact OD2-NH2 3.39Å
298	W	93	Very high	90.4	Very high	5 Å²	5	37.4 Å²	37.4	2%	0.019	17%	0.165	C	C	.	.	H	α-helix	trans	-62	-41.2	179.6	179.1	63.5	0	0	0	111.2	E294 L295 V296 H300 R301 L302 M373 V377 S401 P403	E294-W298 WeakPolarHBondContact O-CB 3.46Å; E294-W298 PolarHBondContact O-N 3.32Å; L295-W298 PolarHBondContact O-N 2.93Å; V296-W298 VanDerWaalsContact C-N 3.31Å; V296-W298 PolarHBondContact O-N 2.98Å; W298-H300 VanDerWaalsContact C-N 3.33Å; W298-H300 PolarHBondContact O-N 2.92Å; W298-R301 PolarHBondContact O-N 2.83Å; W298-L302 HydrophobicContact CD2-CD1 3.84Å; W298-L302 HydrophobicContact CD2-CG 4.47Å; W298-L302 HydrophobicContact CE3-CD1 4.19Å; W298-L302 HydrophobicContact CG-CD1 4.49Å; W298-L302 HydrophobicContact CH2-CD1 4.01Å; W298-L302 HydrophobicContact CZ2-CD1 3.65Å; W298-L302 HydrophobicContact CZ3-CD1 4.26Å; W298-L302 WeakPolarHBondContact O-CG 3.48Å; W298-L302 PolarHBondContact O-N 2.86Å; W298-M373 HydrophobicContact CH2-CB 4.45Å; W298-M373 HydrophobicContact CZ3-CB 4.35Å; W298-M373 HydrophobicContact CZ3-CE 4.02Å; W298-V377 HydrophobicContact CE3-CG1 4.49Å; W298-V377 HydrophobicContact CH2-CB 3.73Å; W298-V377 HydrophobicContact CH2-CG1 3.98Å; W298-V377 HydrophobicContact CH2-CG2 4.29Å; W298-V377 HydrophobicContact CZ3-CB 3.86Å; W298-V377 HydrophobicContact CZ3-CG1 3.75Å; W298-V377 HydrophobicContact CZ3-CG2 4.13Å; W298-S401 PolarHBondContact NE1-O 2.97Å; W298-P403 HydrophobicContact CB-CB 4.27Å; W298-P403 HydrophobicContact CB-CG 4.44Å; W298-P403 VanDerWaalsContact CD2-CD 3.5Å; W298-P403 HydrophobicContact CD2-CG 4.03Å; W298-P403 HydrophobicContact CE3-CG 3.93Å; W298-P403 HydrophobicContact CG-CG 4.26Å; W298-P403 HydrophobicContact CZ3-CG 4.46Å
299	F	93.3	Very high	89.8	Confident	1 Å²	1	40.3 Å²	40.3	0%	0.004	17%	0.174	C	C	.	.	H	α-helix	trans	-59.1	-42.6	172.6	-59.5	-20.7	0	0	0	112.4	F230 L231 Y234 L295 V296 D297 L302 M303 M373 V377 L381	F230-F299 HydrophobicContact CE1-CE2 4.23Å; F230-F299 HydrophobicContact CE1-CZ 4.08Å; L231-F299 HydrophobicContact CD2-CD1 4.14Å; L231-F299 HydrophobicContact CD2-CD2 4.31Å; L231-F299 HydrophobicContact CD2-CE1 3.51Å; L231-F299 HydrophobicContact CD2-CE2 3.7Å; L231-F299 HydrophobicContact CD2-CZ 3.24Å; Y234-F299 HydrophobicContact CD2-CD2 4.32Å; Y234-F299 HydrophobicContact CD2-CE2 4.05Å; Y234-F299 HydrophobicContact CG-CD2 4.44Å; L295-F299 HydrophobicContact CD1-CE1 4.23Å; L295-F299 HydrophobicContact CD1-CZ 4.04Å; L295-F299 HydrophobicContact CD2-CE2 3.9Å; L295-F299 HydrophobicContact CD2-CZ 3.63Å; L295-F299 HydrophobicContact CG-CE1 3.99Å; L295-F299 HydrophobicContact CG-CE2 3.88Å; L295-F299 HydrophobicContact CG-CZ 3.46Å; L295-F299 VanDerWaalsContact CG-CZ 3.46Å; L295-F299 WeakPolarHBondContact O-CD1 3.14Å; L295-F299 VanDerWaalsContact O-CG 3.27Å; L295-F299 WeakPolarHBondContact O-CG 3.26Å; L295-F299 PolarHBondContact O-N 2.96Å; V296-F299 PolarHBondContact O-N 2.73Å; D297-F299 VanDerWaalsContact C-N 3.31Å; D297-F299 PolarHBondContact O-N 2.75Å; F299-L302 PolarHBondContact O-N 2.79Å; F299-M303 HydrophobicContact CB-CE 4.28Å; F299-M303 WeakPolarHBondContact O-CB 3.48Å; F299-M303 WeakPolarHBondContact O-CE 3.28Å; F299-M303 WeakPolarHBondContact O-CG 3.17Å; F299-M303 PolarHBondContact O-N 2.85Å; F299-M373 HydrophobicContact CE1-CE 3.91Å; F299-M373 HydrophobicContact CZ-CE 3.94Å; F299-V377 HydrophobicContact CD1-CG1 4.01Å; F299-V377 HydrophobicContact CE1-CG1 3.88Å; F299-L381 HydrophobicContact CB-CD1 3.84Å; F299-L381 HydrophobicContact CD1-CD1 3.8Å; F299-L381 HydrophobicContact CG-CD1 4.02Å
300	H	91.3	Very high	89.3	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-68.2	-38	178.9	-75.7	76.7	0	0	0	112.5	R240 M245 V296 D297 W298 M303 R304 K305 Y312	R240-H300 PolarHBondContact NH2-NE2 3.03Å; M245-H300 VanDerWaalsContact CE-CE1 3.43Å; M245-H300 WeakPolarHBondContact CE-CE1 3.17Å; V296-H300 PolarHBondContact O-N 2.78Å; V296-H300 VanDerWaalsContact O-N 3.08Å; V296-H300 PolarHBondContact O-ND1 2.94Å; D297-H300 PolarHBondContact O-N 3Å; D297-H300 VanDerWaalsContact O-N 3.15Å; W298-H300 VanDerWaalsContact C-N 3.33Å; W298-H300 PolarHBondContact O-N 2.92Å; H300-M303 PolarHBondContact O-N 2.97Å; H300-R304 PolarHBondContact O-N 2.54Å; H300-K305 CarbonylContact O-C 3.45Å; H300-K305 WeakPolarHBondContact O-CA 3.28Å; H300-K305 PolarHBondContact O-N 2.59Å; H300-Y312 HydrophobicContact CB-CD1 4.27Å; H300-Y312 HydrophobicContact CB-CD2 4.33Å; H300-Y312 HydrophobicContact CB-CE1 4.15Å; H300-Y312 HydrophobicContact CB-CE2 4.18Å; H300-Y312 HydrophobicContact CB-CG 4.35Å; H300-Y312 AromaticContact CD2-CD2 3.37Å; H300-Y312 WeakPolarHBondContact CD2-CD2 3.12Å; H300-Y312 AromaticContact CD2-CE2 3.21Å; H300-Y312 WeakPolarHBondContact CD2-CE2 3.45Å; H300-Y312 AromaticContact CD2-CZ 3.94Å; H300-Y312 AromaticContact CE1-CE2 3.69Å; H300-Y312 AromaticContact CG-CD2 3.81Å; H300-Y312 AromaticContact CG-CE2 3.4Å; H300-Y312 VanDerWaalsContact CG-CE2 3.4Å; H300-Y312 AromaticContact CG-CZ 3.62Å; H300-Y312 AromaticContact ND1-CE2 3.67Å; H300-Y312 AromaticContact ND1-CZ 3.71Å; H300-Y312 AromaticContact NE2-CD2 3.94Å; H300-Y312 AromaticContact NE2-CE2 3.44Å; H300-Y312 WeakPolarHBondContact NE2-CE2 3.21Å
301	R	91.1	Very high	88.9	Confident	93 Å²	93	44.5 Å²	44.5	35%	0.351	20%	0.202	S	C	.	.	H	α-helix	trans	-61.9	-46.9	171.2	-70.5	-177.4	-116.3	156.9	-4.2	111.5	D297 W298 M303 R304 P400	D297-R301 WeakPolarHBondContact O-CG 3.24Å; D297-R301 PolarHBondContact O-N 2.88Å; W298-R301 PolarHBondContact O-N 2.83Å; R301-M303 VanDerWaalsContact C-N 3.28Å; R301-M303 PolarHBondContact O-N 2.85Å; R301-R304 PolarHBondContact O-N 3.23Å; R301-P400 HydrophobicContact CB-CB 3.74Å; R301-P400 HydrophobicContact CB-CG 4.21Å
302	L	91.3	Very high	88.8	Confident	15 Å²	15	43.7 Å²	43.7	8%	0.079	20%	0.198	C	C	.	.	H	α-helix	trans	-61.2	-35.5	176.4	-77.1	174.9	0	0	0	113.1	W298 F299 R304 V377 P378 L381 P400	W298-L302 HydrophobicContact CD2-CD1 3.84Å; W298-L302 HydrophobicContact CD2-CG 4.47Å; W298-L302 HydrophobicContact CE3-CD1 4.19Å; W298-L302 HydrophobicContact CG-CD1 4.49Å; W298-L302 HydrophobicContact CH2-CD1 4.01Å; W298-L302 HydrophobicContact CZ2-CD1 3.65Å; W298-L302 HydrophobicContact CZ3-CD1 4.26Å; W298-L302 WeakPolarHBondContact O-CG 3.48Å; W298-L302 PolarHBondContact O-N 2.86Å; F299-L302 PolarHBondContact O-N 2.79Å; L302-R304 PolarHBondContact O-N 3.45Å; L302-V377 HydrophobicContact CD1-CG1 3.86Å; L302-P378 HydrophobicContact CD1-CG 4.4Å; L302-P378 HydrophobicContact CD2-CB 4.19Å; L302-P378 HydrophobicContact CD2-CG 4.14Å; L302-L381 HydrophobicContact CB-CD1 4.21Å; L302-L381 HydrophobicContact CD1-CD1 4.06Å; L302-P400 HydrophobicContact CD2-CG 3.43Å; L302-P400 VanDerWaalsContact CD2-CG 3.43Å; L302-P400 HydrophobicContact CG-CG 3.81Å
303	M	91.1	Very high	88.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	0.6	174.8	-71	-175.3	-74.6	0	0	113.5	A235 F299 H300 R301 K305 L381 R385 A386	A235-M303 HydrophobicContact CB-CE 4.36Å; A235-M303 HydrophobicContact CB-SD 3.68Å; F299-M303 HydrophobicContact CB-CE 4.28Å; F299-M303 WeakPolarHBondContact O-CB 3.48Å; F299-M303 WeakPolarHBondContact O-CE 3.28Å; F299-M303 WeakPolarHBondContact O-CG 3.17Å; F299-M303 PolarHBondContact O-N 2.85Å; H300-M303 PolarHBondContact O-N 2.97Å; R301-M303 VanDerWaalsContact C-N 3.28Å; R301-M303 PolarHBondContact O-N 2.85Å; M303-K305 HydrophobicContact CB-CB 4.33Å; M303-K305 HydrophobicContact CB-CD 3.89Å; M303-K305 HydrophobicContact CB-CG 4.08Å; M303-K305 WeakPolarHBondContact O-CG 3.28Å; M303-K305 PolarHBondContact O-N 2.97Å; M303-K305 HydrophobicContact SD-CD 4.37Å; M303-L381 HydrophobicContact CG-CB 4.39Å; M303-R385 CarbonylContact O-C 3.58Å; M303-R385 VanDerWaalsContact O-CA 3.28Å; M303-R385 WeakPolarHBondContact O-CA 3.44Å; M303-A386 PolarHBondContact O-N 3.04Å
304	R	89.2	Confident	88.6	Confident	43 Å²	43	51.6 Å²	51.6	16%	0.162	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	30.6	-172.9	-52.3	175.7	178	168	-3.8	113	H300 R301 L302 A386 F397	H300-R304 PolarHBondContact O-N 2.54Å; R301-R304 PolarHBondContact O-N 3.23Å; L302-R304 PolarHBondContact O-N 3.45Å; R304-A386 HydrophobicContact CB-CB 4.28Å; R304-F397 VanDerWaalsContact CZ-CE2 3.42Å
305	K	86.5	Confident	88.6	Confident	21 Å²	21	51.3 Å²	51.3	9%	0.091	23%	0.23	C	C	.	.			trans	-114.9	47.6	-178.8	-66.5	174.2	176.4	172.7	0	109.2	H300 M303 W310 Y312 Y384 A386	H300-K305 CarbonylContact O-C 3.45Å; H300-K305 WeakPolarHBondContact O-CA 3.28Å; H300-K305 PolarHBondContact O-N 2.59Å; M303-K305 HydrophobicContact CB-CB 4.33Å; M303-K305 HydrophobicContact CB-CD 3.89Å; M303-K305 HydrophobicContact CB-CG 4.08Å; M303-K305 WeakPolarHBondContact O-CG 3.28Å; M303-K305 PolarHBondContact O-N 2.97Å; M303-K305 HydrophobicContact SD-CD 4.37Å; K305-W310 HydrophobicContact CB-CB 4.42Å; K305-W310 HydrophobicContact CB-CD2 3.98Å; K305-W310 HydrophobicContact CB-CE3 3.46Å; K305-W310 VanDerWaalsContact CB-CE3 3.46Å; K305-W310 HydrophobicContact CB-CG 4.44Å; K305-W310 HydrophobicContact CB-CZ3 4Å; K305-W310 HydrophobicContact CD-CD2 4.48Å; K305-W310 HydrophobicContact CD-CE3 3.67Å; K305-W310 HydrophobicContact CD-CH2 3.67Å; K305-W310 HydrophobicContact CD-CZ2 4.46Å; K305-W310 HydrophobicContact CD-CZ3 3.22Å; K305-W310 VanDerWaalsContact CE-CZ3 3.45Å; K305-W310 HydrophobicContact CG-CD2 3.74Å; K305-W310 HydrophobicContact CG-CE3 3.31Å; K305-W310 HydrophobicContact CG-CH2 3.9Å; K305-W310 HydrophobicContact CG-CZ2 4.26Å; K305-W310 HydrophobicContact CG-CZ3 3.42Å; K305-W310 VanDerWaalsContact CG-CZ3 3.42Å; K305-Y312 WeakPolarHBondContact O-CB 3.5Å; K305-Y384 VanDerWaalsContact CE-O 3.31Å; K305-Y384 WeakPolarHBondContact CE-O 3.49Å; K305-Y384 PolarHBondContact NZ-O 3.38Å; K305-A386 HydrophobicContact CG-CB 4.21Å
306	D	83.3	Confident	88.4	Confident	32 Å²	32	52.2 Å²	52.2	17%	0.171	24%	0.236	C	C	.	.			trans	-80.5	174.7	-174.2	69.5	-53.7	0	0	0	112.2	K308 R309 W310 G311	D306-K308 PolarHBondContact O-N 3.31Å; D306-K308 WeakPolarHBondContact OD2-CB 3.47Å; D306-K308 PolarHBondContact OD2-N 3.07Å; D306-K308 VanDerWaalsContact OD2-N 3.14Å; D306-R309 WeakPolarHBondContact OD1-CB 3.33Å; D306-R309 WeakPolarHBondContact OD1-CD 3.26Å; D306-R309 VanDerWaalsContact OD1-CG 3.28Å; D306-R309 WeakPolarHBondContact OD1-CG 3.31Å; D306-R309 PolarHBondContact OD1-N 3.26Å; D306-R309 PolarHBondContact OD2-N 3.44Å; D306-W310 CarbonylContact O-C 3.48Å; D306-W310 VanDerWaalsContact O-CA 3.26Å; D306-W310 WeakPolarHBondContact O-CA 3.22Å; D306-W310 VanDerWaalsContact O-CB 3.31Å; D306-W310 WeakPolarHBondContact O-CB 3.36Å; D306-W310 PolarHBondContact O-N 3.49Å; D306-G311 PolarHBondContact O-N 3.34Å
307	Q	81.7	Confident	88.2	Confident	141 Å²	141	52.3 Å²	52.3	66%	0.659	24%	0.236	S	C	*	.	H	α-helix	trans	-64.6	-39.1	-179.9	-172.6	173.6	-1	0	0	112.3	G311 Y312	Q307-G311 VanDerWaalsContact O-CA 3.27Å; Q307-G311 WeakPolarHBondContact O-CA 3.31Å; Q307-G311 PolarHBondContact O-N 3Å; Q307-Y312 WeakPolarHBondContact CG-O 3.47Å
308	K	80.6	Confident	88	Confident	196 Å²	196	55.5 Å²	55.5	85%	0.852	25%	0.246	S	C	*	.	H	α-helix	trans	-70.8	-45.5	-174.4	-60.9	178.5	177.5	177	0	111.7	D306	D306-K308 PolarHBondContact O-N 3.31Å; D306-K308 WeakPolarHBondContact OD2-CB 3.47Å; D306-K308 PolarHBondContact OD2-N 3.07Å; D306-K308 VanDerWaalsContact OD2-N 3.14Å
309	R	80.3	Confident	87.6	Confident	137 Å²	137	65 Å²	65	52%	0.517	28%	0.282	S	S	.	.	H	α-helix	trans	-87.8	-37.3	-177.3	-54.8	173.8	175.7	-176.9	-6.3	112.3	D306	D306-R309 WeakPolarHBondContact OD1-CB 3.33Å; D306-R309 WeakPolarHBondContact OD1-CD 3.26Å; D306-R309 VanDerWaalsContact OD1-CG 3.28Å; D306-R309 WeakPolarHBondContact OD1-CG 3.31Å; D306-R309 PolarHBondContact OD1-N 3.26Å; D306-R309 PolarHBondContact OD2-N 3.44Å
310	W	81.3	Confident	87.4	Confident	97 Å²	97	65.9 Å²	65.9	37%	0.367	29%	0.287	S	S	.	.	H	α-helix	trans	-112.4	4.8	-169.3	-112.5	41.1	0	0	0	115.2	R243 K305 D306 Y312	R243-W310 PolarHBondContact NE-O 3.28Å; R243-W310 PolarHBondContact NH2-O 3.15Å; K305-W310 HydrophobicContact CB-CB 4.42Å; K305-W310 HydrophobicContact CB-CD2 3.98Å; K305-W310 HydrophobicContact CB-CE3 3.46Å; K305-W310 VanDerWaalsContact CB-CE3 3.46Å; K305-W310 HydrophobicContact CB-CG 4.44Å; K305-W310 HydrophobicContact CB-CZ3 4Å; K305-W310 HydrophobicContact CD-CD2 4.48Å; K305-W310 HydrophobicContact CD-CE3 3.67Å; K305-W310 HydrophobicContact CD-CH2 3.67Å; K305-W310 HydrophobicContact CD-CZ2 4.46Å; K305-W310 HydrophobicContact CD-CZ3 3.22Å; K305-W310 VanDerWaalsContact CE-CZ3 3.45Å; K305-W310 HydrophobicContact CG-CD2 3.74Å; K305-W310 HydrophobicContact CG-CE3 3.31Å; K305-W310 HydrophobicContact CG-CH2 3.9Å; K305-W310 HydrophobicContact CG-CZ2 4.26Å; K305-W310 HydrophobicContact CG-CZ3 3.42Å; K305-W310 VanDerWaalsContact CG-CZ3 3.42Å; D306-W310 CarbonylContact O-C 3.48Å; D306-W310 VanDerWaalsContact O-CA 3.26Å; D306-W310 WeakPolarHBondContact O-CA 3.22Å; D306-W310 VanDerWaalsContact O-CB 3.31Å; D306-W310 WeakPolarHBondContact O-CB 3.36Å; D306-W310 PolarHBondContact O-N 3.49Å; W310-Y312 PolarHBondContact O-N 3.48Å; W310-Y312 VanDerWaalsContact O-N 3.11Å
311	G	85.8	Confident	87.1	Confident	41 Å²	41	70.4 Å²	70.4	42%	0.423	32%	0.316	S	S	.	.			trans	57.5	25.8	179	0	0	0	0	0	112.9	D306 Q307 M313	D306-G311 PolarHBondContact O-N 3.34Å; Q307-G311 VanDerWaalsContact O-CA 3.27Å; Q307-G311 WeakPolarHBondContact O-CA 3.31Å; Q307-G311 PolarHBondContact O-N 3Å; G311-M313 PolarHBondContact O-N 3.4Å
312	Y	89.9	Confident	87.1	Confident	12 Å²	12	69.6 Å²	69.6	5%	0.047	32%	0.322	C	S	.	.			trans	-64.9	129.8	-177.8	169.4	-99.3	0	0	0	111.1	M245 V296 D297 H300 K305 Q307 W310 R314	M245-Y312 HydrophobicContact CB-CE2 3.67Å; V296-Y312 WeakPolarHBondContact CG1-OH 3.28Å; D297-Y312 WeakPolarHBondContact OD1-CE1 3.37Å; H300-Y312 HydrophobicContact CB-CD1 4.27Å; H300-Y312 HydrophobicContact CB-CD2 4.33Å; H300-Y312 HydrophobicContact CB-CE1 4.15Å; H300-Y312 HydrophobicContact CB-CE2 4.18Å; H300-Y312 HydrophobicContact CB-CG 4.35Å; H300-Y312 AromaticContact CD2-CD2 3.37Å; H300-Y312 WeakPolarHBondContact CD2-CD2 3.12Å; H300-Y312 AromaticContact CD2-CE2 3.21Å; H300-Y312 WeakPolarHBondContact CD2-CE2 3.45Å; H300-Y312 AromaticContact CD2-CZ 3.94Å; H300-Y312 AromaticContact CE1-CE2 3.69Å; H300-Y312 AromaticContact CG-CD2 3.81Å; H300-Y312 AromaticContact CG-CE2 3.4Å; H300-Y312 VanDerWaalsContact CG-CE2 3.4Å; H300-Y312 AromaticContact CG-CZ 3.62Å; H300-Y312 AromaticContact ND1-CE2 3.67Å; H300-Y312 AromaticContact ND1-CZ 3.71Å; H300-Y312 AromaticContact NE2-CD2 3.94Å; H300-Y312 AromaticContact NE2-CE2 3.44Å; H300-Y312 WeakPolarHBondContact NE2-CE2 3.21Å; K305-Y312 WeakPolarHBondContact O-CB 3.5Å; Q307-Y312 WeakPolarHBondContact CG-O 3.47Å; W310-Y312 PolarHBondContact O-N 3.48Å; W310-Y312 VanDerWaalsContact O-N 3.11Å; Y312-R314 HydrophobicContact CE1-CG 4.14Å; Y312-R314 VanDerWaalsContact OH-CG 3.23Å; Y312-R314 WeakPolarHBondContact OH-CG 3.37Å
313	M	89.6	Confident	87	Confident	111 Å²	111	68.9 Å²	68.9	55%	0.547	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	138.3	175.5	-171.3	169.4	68.7	0	0	110.9	S244 M245 G311	S244-M313 CarbonylContact C-O 3.5Å; S244-M313 WeakPolarHBondContact CA-O 3.44Å; S244-M313 WeakPolarHBondContact CB-O 3.31Å; M245-M313 PolarHBondContact N-O 3.2Å; G311-M313 PolarHBondContact O-N 3.4Å
314	R	91.7	Very high	86.8	Confident	62 Å²	62	70.2 Å²	70.2	23%	0.234	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	140.5	168.2	-63.1	177.1	-58.8	-139.4	-15.4	109.6	M245 L247 S293 D297 Y312	M245-R314 WeakPolarHBondContact O-CA 3.33Å; L247-R314 HydrophobicContact CD1-CG 4.33Å; S293-R314 PolarHBondContact O-NH1 3.2Å; D297-R314 VanDerWaalsContact OD1-CD 3.24Å; D297-R314 WeakPolarHBondContact OD1-CD 3.45Å; D297-R314 IonicContact OD1-CZ 3.22Å; D297-R314 IonicContact OD1-NE 2.96Å; D297-R314 PolarHBondContact OD1-NE 2.89Å; D297-R314 IonicContact OD1-NH1 3.19Å; D297-R314 PolarHBondContact OD1-NH1 2.79Å; D297-R314 IonicContact OD1-NH2 2.67Å; D297-R314 IonicContact OD2-CZ 3Å; D297-R314 IonicContact OD2-NE 3.97Å; D297-R314 IonicContact OD2-NH1 2.64Å; D297-R314 PolarHBondContact OD2-NH1 3.32Å; D297-R314 IonicContact OD2-NH2 3.01Å; D297-R314 PolarHBondContact OD2-NH2 3.39Å; Y312-R314 HydrophobicContact CE1-CG 4.14Å; Y312-R314 VanDerWaalsContact OH-CG 3.23Å; Y312-R314 WeakPolarHBondContact OH-CG 3.37Å
315	Y	91.1	Very high	86.8	Confident	40 Å²	40	73 Å²	73	16%	0.157	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	162.9	173	70.8	-79.6	0	0	0	110.6	Q241 M245 P246 L247 M317 D320	Q241-Y315 HydrophobicContact CB-CE1 4.29Å; Q241-Y315 WeakPolarHBondContact CB-OH 3.36Å; M245-Y315 PolarHBondContact O-N 2.89Å; P246-Y315 HydrophobicContact CB-CE1 3.91Å; P246-Y315 HydrophobicContact CB-CE2 4.01Å; P246-Y315 WeakPolarHBondContact CB-OH 3.27Å; P246-Y315 HydrophobicContact CG-CE1 4.08Å; P246-Y315 WeakPolarHBondContact CG-OH 3.25Å; L247-Y315 PolarHBondContact N-O 3.19Å; L247-Y315 VanDerWaalsContact N-O 3.1Å; Y315-M317 PolarHBondContact O-N 3.48Å; Y315-D320 HydrophobicContact CD2-CB 4.4Å; Y315-D320 HydrophobicContact CE2-CB 3.56Å; Y315-D320 VanDerWaalsContact CE2-OD2 3.28Å; Y315-D320 WeakPolarHBondContact CE2-OD2 3.41Å; Y315-D320 VanDerWaalsContact CZ-OD2 3.32Å; Y315-D320 PolarHBondContact OH-OD2 3.31Å
316	D	89.6	Confident	87	Confident	20 Å²	20	74.2 Å²	74.2	11%	0.107	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	115.2	-178.8	-168.1	-7.9	0	0	0	109.7	H249 K250 R318 W319	H249-D316 PolarHBondContact N-OD1 2.87Å; H249-D316 VanDerWaalsContact N-OD1 3.13Å; K250-D316 HydrophobicContact CG-CB 4.07Å; D316-R318 PolarHBondContact O-N 3.24Å; D316-R318 WeakPolarHBondContact OD1-CG 3.39Å; D316-R318 PolarHBondContact OD1-N 2.79Å; D316-R318 IonicContact OD1-NE 3.39Å; D316-R318 PolarHBondContact OD1-NE 3.39Å; D316-R318 IonicContact OD2-CZ 3.44Å; D316-R318 VanDerWaalsContact OD2-CZ 3.22Å; D316-R318 IonicContact OD2-NE 2.65Å; D316-R318 PolarHBondContact OD2-NE 3.41Å; D316-R318 IonicContact OD2-NH2 3.29Å; D316-R318 PolarHBondContact OD2-NH2 3.05Å; D316-W319 PolarHBondContact O-N 3.09Å
317	M	89.1	Confident	87.3	Confident	1 Å²	1	72.7 Å²	72.7	1%	0.005	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-64.4	-22.6	-176.8	-176.5	-174.3	76.3	0	0	113	P246 L247 W248 Y315 W319 D320 F323 L324 I347	P246-M317 HydrophobicContact CB-CB 3.79Å; P246-M317 HydrophobicContact CB-CG 3.83Å; P246-M317 HydrophobicContact CB-SD 4.35Å; L247-M317 PolarHBondContact O-N 2.72Å; W248-M317 HydrophobicContact CE3-CE 3.67Å; W248-M317 HydrophobicContact CZ3-CE 4.28Å; Y315-M317 PolarHBondContact O-N 3.48Å; M317-W319 PolarHBondContact O-N 3.22Å; M317-D320 PolarHBondContact O-N 3.02Å; M317-D320 VanDerWaalsContact O-N 3.12Å; M317-F323 HydrophobicContact CG-CD1 3.49Å; M317-F323 VanDerWaalsContact CG-CD1 3.49Å; M317-F323 HydrophobicContact CG-CE1 3.93Å; M317-F323 HydrophobicContact CG-CG 4.45Å; M317-F323 HydrophobicContact SD-CD1 3.54Å; M317-F323 VanDerWaalsContact SD-CD1 3.54Å; M317-F323 HydrophobicContact SD-CE1 3.31Å; M317-F323 WeakPolarHBondContact SD-CE1 3.44Å; M317-F323 HydrophobicContact SD-CZ 4.47Å; M317-L324 HydrophobicContact CE-CD2 3.95Å; M317-L324 HydrophobicContact CG-CD2 3.89Å; M317-L324 HydrophobicContact SD-CD2 4.1Å; M317-I347 HydrophobicContact CE-CG2 3.25Å; M317-I347 HydrophobicContact SD-CG2 3.81Å
318	R	87.1	Confident	87.6	Confident	97 Å²	97	72 Å²	72	37%	0.366	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-59.2	-31.9	-178.5	-67.1	-178.5	-60.8	151.2	2.5	113.2	W248 H249 D316	W248-R318 HydrophobicContact CD2-CG 4.06Å; W248-R318 HydrophobicContact CE3-CG 3.63Å; W248-R318 HydrophobicContact CH2-CG 3.7Å; W248-R318 HydrophobicContact CZ2-CG 4.1Å; W248-R318 HydrophobicContact CZ3-CG 3.45Å; W248-R318 VanDerWaalsContact CZ3-CG 3.45Å; H249-R318 PolarHBondContact CE1-NH1 2.8Å; H249-R318 PolarHBondContact CE1-NH2 2.63Å; H249-R318 PolarHBondContact ND1-NE 3.43Å; H249-R318 PolarHBondContact ND1-NH2 3.45Å; D316-R318 PolarHBondContact O-N 3.24Å; D316-R318 WeakPolarHBondContact OD1-CG 3.39Å; D316-R318 PolarHBondContact OD1-N 2.79Å; D316-R318 IonicContact OD1-NE 3.39Å; D316-R318 PolarHBondContact OD1-NE 3.39Å; D316-R318 IonicContact OD2-CZ 3.44Å; D316-R318 VanDerWaalsContact OD2-CZ 3.22Å; D316-R318 IonicContact OD2-NE 2.65Å; D316-R318 PolarHBondContact OD2-NE 3.41Å; D316-R318 IonicContact OD2-NH2 3.29Å; D316-R318 PolarHBondContact OD2-NH2 3.05Å
319	W	85.6	Confident	88	Confident	203 Å²	203	66.5 Å²	66.5	77%	0.769	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-94.5	0.5	-177.3	-53.5	111.9	0	0	0	113.3	D316 M317 P321	D316-W319 PolarHBondContact O-N 3.09Å; M317-W319 PolarHBondContact O-N 3.22Å; W319-P321 WeakPolarHBondContact O-CD 3.1Å
320	D	87.4	Confident	88.3	Confident	21 Å²	21	60.4 Å²	60.4	11%	0.112	29%	0.292	C	S	.	.			trans	-107.4	90.9	-178.8	-178.9	5.8	0	0	0	111.4	Y315 M317 T322 F323 L324	Y315-D320 HydrophobicContact CD2-CB 4.4Å; Y315-D320 HydrophobicContact CE2-CB 3.56Å; Y315-D320 VanDerWaalsContact CE2-OD2 3.28Å; Y315-D320 WeakPolarHBondContact CE2-OD2 3.41Å; Y315-D320 VanDerWaalsContact CZ-OD2 3.32Å; Y315-D320 PolarHBondContact OH-OD2 3.31Å; M317-D320 PolarHBondContact O-N 3.02Å; M317-D320 VanDerWaalsContact O-N 3.12Å; D320-T322 PolarHBondContact O-N 2.86Å; D320-T322 WeakPolarHBondContact OD1-CB 3.45Å; D320-T322 PolarHBondContact OD1-N 2.84Å; D320-T322 PolarHBondContact OD1-OG1 3.32Å; D320-F323 HydrophobicContact CB-CB 4.43Å; D320-F323 PolarHBondContact O-N 3.34Å; D320-F323 PolarHBondContact OD1-N 2.94Å; D320-F323 VanDerWaalsContact OD2-CB 3.25Å; D320-F323 WeakPolarHBondContact OD2-CB 3.44Å; D320-L324 WeakPolarHBondContact O-CG 3.34Å; D320-L324 PolarHBondContact O-N 2.89Å
321	P	86.8	Confident	88.4	Confident	95 Å²	95	58.3 Å²	58.3	62%	0.617	29%	0.291	S	S	*	.	H	α-helix	trans	-64.5	-24.6	178.4	27.6	-35.1	0	0	0	112.1	W319 L325	W319-P321 WeakPolarHBondContact O-CD 3.1Å; P321-L325 VanDerWaalsContact O-CB 3.25Å; P321-L325 WeakPolarHBondContact O-CB 3.43Å; P321-L325 PolarHBondContact O-N 3.24Å
322	T	90.1	Very high	88.3	Confident	77 Å²	77	64.5 Å²	64.5	47%	0.472	31%	0.307	S	S	.	.	H	α-helix	trans	-70.4	-42.1	-177	72.1	0	0	0	0	111.3	Q241 D320 K326	Q241-T322 PolarHBondContact NE2-OG1 2.96Å; D320-T322 PolarHBondContact O-N 2.86Å; D320-T322 WeakPolarHBondContact OD1-CB 3.45Å; D320-T322 PolarHBondContact OD1-N 2.84Å; D320-T322 PolarHBondContact OD1-OG1 3.32Å; T322-K326 WeakPolarHBondContact O-CB 3.24Å; T322-K326 PolarHBondContact O-N 3.25Å
323	F	88.7	Confident	88	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-68	-41.1	176.1	-179.6	-95.6	0	0	0	112.1	R239 P246 M317 D320 L325 K326 A327 L342 I347	R239-F323 VanDerWaalsContact NH1-CZ 3.33Å; R239-F323 WeakPolarHBondContact O-CE2 3.42Å; P246-F323 HydrophobicContact CB-CD1 3.98Å; P246-F323 HydrophobicContact CB-CD2 4.26Å; P246-F323 HydrophobicContact CB-CE1 4.14Å; P246-F323 HydrophobicContact CB-CE2 4.42Å; P246-F323 HydrophobicContact CB-CG 4.03Å; P246-F323 HydrophobicContact CB-CZ 4.34Å; P246-F323 HydrophobicContact CG-CD1 3.95Å; P246-F323 HydrophobicContact CG-CD2 3.38Å; P246-F323 HydrophobicContact CG-CE1 3.96Å; P246-F323 HydrophobicContact CG-CE2 3.4Å; P246-F323 HydrophobicContact CG-CG 3.66Å; P246-F323 HydrophobicContact CG-CZ 3.68Å; M317-F323 HydrophobicContact CG-CD1 3.49Å; M317-F323 VanDerWaalsContact CG-CD1 3.49Å; M317-F323 HydrophobicContact CG-CE1 3.93Å; M317-F323 HydrophobicContact CG-CG 4.45Å; M317-F323 HydrophobicContact SD-CD1 3.54Å; M317-F323 VanDerWaalsContact SD-CD1 3.54Å; M317-F323 HydrophobicContact SD-CE1 3.31Å; M317-F323 WeakPolarHBondContact SD-CE1 3.44Å; M317-F323 HydrophobicContact SD-CZ 4.47Å; D320-F323 HydrophobicContact CB-CB 4.43Å; D320-F323 PolarHBondContact O-N 3.34Å; D320-F323 PolarHBondContact OD1-N 2.94Å; D320-F323 VanDerWaalsContact OD2-CB 3.25Å; D320-F323 WeakPolarHBondContact OD2-CB 3.44Å; F323-L325 VanDerWaalsContact C-N 3.34Å; F323-L325 PolarHBondContact O-N 3.35Å; F323-K326 WeakPolarHBondContact O-CB 3.46Å; F323-K326 PolarHBondContact O-N 3.33Å; F323-A327 PolarHBondContact O-N 3.37Å; F323-L342 HydrophobicContact CE1-CD1 4.26Å; F323-L342 HydrophobicContact CE2-CD1 4.17Å; F323-L342 HydrophobicContact CE2-CD2 4.19Å; F323-L342 HydrophobicContact CZ-CD1 3.52Å; F323-L342 HydrophobicContact CZ-CD2 4.34Å; F323-I347 HydrophobicContact CE1-CD1 3.89Å; F323-I347 HydrophobicContact CZ-CD1 4.47Å
324	L	88	Confident	87.6	Confident	28 Å²	28	66 Å²	66	15%	0.147	32%	0.32	C	S	.	.	H	α-helix	trans	-64.9	-40.9	178	-62.8	178.9	0	0	0	111.5	Y190 M317 D320 A327 K328	Y190-L324 HydrophobicContact CD2-CD2 4.14Å; Y190-L324 HydrophobicContact CE2-CB 4.49Å; Y190-L324 HydrophobicContact CE2-CD1 3.94Å; Y190-L324 HydrophobicContact CE2-CD2 3.47Å; Y190-L324 VanDerWaalsContact CE2-CD2 3.47Å; Y190-L324 HydrophobicContact CE2-CG 4.16Å; M317-L324 HydrophobicContact CE-CD2 3.95Å; M317-L324 HydrophobicContact CG-CD2 3.89Å; M317-L324 HydrophobicContact SD-CD2 4.1Å; D320-L324 WeakPolarHBondContact O-CG 3.34Å; D320-L324 PolarHBondContact O-N 2.89Å; L324-A327 PolarHBondContact O-N 3.4Å; L324-K328 PolarHBondContact O-N 3.08Å; L324-K328 VanDerWaalsContact O-N 3.12Å
325	L	89.6	Confident	86.7	Confident	100 Å²	100	66.6 Å²	66.6	52%	0.524	33%	0.331	S	S	.	.	H	α-helix	trans	-62.8	-44.7	173.5	-178.3	61.2	0	0	0	111	P321 F323 A327 K328 L329	P321-L325 VanDerWaalsContact O-CB 3.25Å; P321-L325 WeakPolarHBondContact O-CB 3.43Å; P321-L325 PolarHBondContact O-N 3.24Å; F323-L325 VanDerWaalsContact C-N 3.34Å; F323-L325 PolarHBondContact O-N 3.35Å; L325-A327 VanDerWaalsContact C-N 3.33Å; L325-A327 PolarHBondContact O-N 3.15Å; L325-K328 PolarHBondContact O-N 3.18Å; L325-L329 HydrophobicContact CD1-CD1 4.15Å; L325-L329 HydrophobicContact CD1-CG 4.09Å; L325-L329 HydrophobicContact CD2-CD1 4.45Å; L325-L329 HydrophobicContact CG-CD1 3.85Å; L325-L329 HydrophobicContact CG-CG 4.24Å; L325-L329 WeakPolarHBondContact O-CB 3.35Å; L325-L329 WeakPolarHBondContact O-CG 3.05Å; L325-L329 PolarHBondContact O-N 3.37Å
326	K	90	Very high	85.7	Confident	48 Å²	48	66.5 Å²	66.5	21%	0.209	34%	0.342	C	S	.	.	H	α-helix	trans	-55.6	-45.3	174.8	178.4	-172.4	-177.5	-177	0	112	W238 R240 T322 F323 L329 N330 L342	W238-K326 WeakPolarHBondContact O-CE 3.4Å; W238-K326 PolarHBondContact O-NZ 2.67Å; R240-K326 PolarHBondContact O-NZ 3.11Å; T322-K326 WeakPolarHBondContact O-CB 3.24Å; T322-K326 PolarHBondContact O-N 3.25Å; F323-K326 WeakPolarHBondContact O-CB 3.46Å; F323-K326 PolarHBondContact O-N 3.33Å; K326-L329 PolarHBondContact O-N 3.22Å; K326-N330 WeakPolarHBondContact O-CB 3.48Å; K326-N330 PolarHBondContact O-N 2.98Å; K326-L342 HydrophobicContact CD-CD2 4.31Å; K326-L342 HydrophobicContact CG-CD2 4.26Å
327	A	88.7	Confident	85.3	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-64.5	-40.3	178.9	0	0	0	0	0	112.5	F323 L324 L325 S331 L342 I347	F323-A327 PolarHBondContact O-N 3.37Å; L324-A327 PolarHBondContact O-N 3.4Å; L325-A327 VanDerWaalsContact C-N 3.33Å; L325-A327 PolarHBondContact O-N 3.15Å; A327-S331 PolarHBondContact O-N 3.25Å; A327-L342 HydrophobicContact CB-CD1 4.16Å; A327-L342 HydrophobicContact CB-CD2 4.35Å; A327-L342 HydrophobicContact CB-CG 4.02Å; A327-I347 HydrophobicContact CB-CD1 3.6Å
328	K	88.3	Confident	84.9	Confident	125 Å²	125	70.2 Å²	70.2	54%	0.543	37%	0.366	S	S	.	.	H	α-helix	trans	-67.1	-46.8	175.5	-72.8	-177.8	178.7	-178.5	0	112.1	Y190 L324 L325 N330 S331 F332 P344	Y190-K328 WeakPolarHBondContact OH-CE 3.26Å; L324-K328 PolarHBondContact O-N 3.08Å; L324-K328 VanDerWaalsContact O-N 3.12Å; L325-K328 PolarHBondContact O-N 3.18Å; K328-N330 VanDerWaalsContact C-N 3.33Å; K328-N330 PolarHBondContact O-N 3.48Å; K328-S331 WeakPolarHBondContact O-CB 3.33Å; K328-S331 PolarHBondContact O-N 3.17Å; K328-F332 PolarHBondContact O-N 2.97Å; K328-P344 HydrophobicContact CG-CG 4.05Å
329	L	88.6	Confident	84.6	Confident	82 Å²	82	68.6 Å²	68.6	43%	0.429	36%	0.364	S	S	.	.	H	α-helix	trans	-61.5	-41.1	177.8	-72.6	174.8	0	0	0	111.6	L325 K326 S331 F332 I333	L325-L329 HydrophobicContact CD1-CD1 4.15Å; L325-L329 HydrophobicContact CD1-CG 4.09Å; L325-L329 HydrophobicContact CD2-CD1 4.45Å; L325-L329 HydrophobicContact CG-CD1 3.85Å; L325-L329 HydrophobicContact CG-CG 4.24Å; L325-L329 WeakPolarHBondContact O-CB 3.35Å; L325-L329 WeakPolarHBondContact O-CG 3.05Å; L325-L329 PolarHBondContact O-N 3.37Å; K326-L329 PolarHBondContact O-N 3.22Å; L329-S331 VanDerWaalsContact C-N 3.29Å; L329-S331 PolarHBondContact O-N 3.41Å; L329-F332 PolarHBondContact O-N 2.77Å; L329-F332 VanDerWaalsContact O-N 3.08Å; L329-I333 HydrophobicContact CB-CD1 4.38Å; L329-I333 WeakPolarHBondContact O-CB 3.15Å; L329-I333 VanDerWaalsContact O-CG1 3.28Å; L329-I333 WeakPolarHBondContact O-CG1 3.49Å; L329-I333 PolarHBondContact O-N 2.78Å
330	N	86.7	Confident	84.3	Confident	9 Å²	9	60 Å²	60	5%	0.048	34%	0.339	C	S	.	.	H	α-helix	trans	-59.7	-40.8	176.9	-169.1	41.6	0	0	0	112	K326 K328 F332 C334 I339 L342	K326-N330 WeakPolarHBondContact O-CB 3.48Å; K326-N330 PolarHBondContact O-N 2.98Å; K328-N330 VanDerWaalsContact C-N 3.33Å; K328-N330 PolarHBondContact O-N 3.48Å; N330-F332 VanDerWaalsContact C-N 3.32Å; N330-F332 PolarHBondContact O-N 3.26Å; N330-C334 PolarHBondContact O-N 3.44Å; N330-I339 PolarHBondContact ND2-N 3.47Å; N330-I339 PolarHBondContact ND2-O 2.89Å; N330-I339 WeakPolarHBondContact OD1-CB 3.33Å; N330-I339 PolarHBondContact OD1-N 3.48Å; N330-L342 PolarHBondContact ND2-O 2.89Å
331	S	83.6	Confident	84	Confident	52 Å²	52	60.3 Å²	60.3	36%	0.364	35%	0.346	S	S	.	.	H	α-helix	trans	-67.6	-32	175.5	-169.3	0	0	0	0	112.9	A327 K328 L329	A327-S331 PolarHBondContact O-N 3.25Å; K328-S331 WeakPolarHBondContact O-CB 3.33Å; K328-S331 PolarHBondContact O-N 3.17Å; L329-S331 VanDerWaalsContact C-N 3.29Å; L329-S331 PolarHBondContact O-N 3.41Å
332	F	83.8	Confident	84.1	Confident	171 Å²	171	55.8 Å²	55.8	75%	0.75	32%	0.317	S	S	*	.	H	α-helix	trans	-77.1	-44.2	179.9	-177.3	-99.3	0	0	0	112.3	K328 L329 N330	K328-F332 PolarHBondContact O-N 2.97Å; L329-F332 PolarHBondContact O-N 2.77Å; L329-F332 VanDerWaalsContact O-N 3.08Å; N330-F332 VanDerWaalsContact C-N 3.32Å; N330-F332 PolarHBondContact O-N 3.26Å
333	I	84.8	Confident	84.1	Confident	120 Å²	120	52.6 Å²	52.6	62%	0.615	30%	0.296	S	S	*	.	H	α-helix	trans	-71.9	-41.8	-178.1	-63.3	165.6	0	0	0	110.7	L329 P335	L329-I333 HydrophobicContact CB-CD1 4.38Å; L329-I333 WeakPolarHBondContact O-CB 3.15Å; L329-I333 VanDerWaalsContact O-CG1 3.28Å; L329-I333 WeakPolarHBondContact O-CG1 3.49Å; L329-I333 PolarHBondContact O-N 2.78Å; I333-P335 VanDerWaalsContact C-CD 3.41Å; I333-P335 WeakPolarHBondContact O-CD 3.42Å
334	C	80.3	Confident	84.1	Confident	36 Å²	36	53.8 Å²	53.8	24%	0.243	30%	0.304	C	S	.	.			trans	-119.2	68.9	-175.1	-67.4	0	0	0	0	111.6	N330 G336 T337	N330-C334 PolarHBondContact O-N 3.44Å; C334-G336 PolarHBondContact O-N 3.22Å; C334-T337 CarbonylContact O-C 3.59Å; C334-T337 PolarHBondContact O-N 3.47Å
335	P	72.9	Confident	84.1	Confident	74 Å²	74	53.4 Å²	53.4	48%	0.481	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-20.6	-176.3	28.6	-35.5	0	0	0	112.8	I333	I333-P335 VanDerWaalsContact C-CD 3.41Å; I333-P335 WeakPolarHBondContact O-CD 3.42Å
336	G	70.5	Confident	84.1	Confident	37 Å²	37	49.3 Å²	49.3	38%	0.381	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-24.1	-177.9	0	0	0	0	0	114.9	F144 C334	F144-G336 WeakPolarHBondContact CE2-O 3.36Å; C334-G336 PolarHBondContact O-N 3.22Å
337	T	80.7	Confident	84.1	Confident	92 Å²	92	47.2 Å²	47.2	56%	0.564	27%	0.274	S	S	*	.	S	Bend	trans	-162.9	95.4	176.9	-60.7	0	0	0	0	108.3	F144 C334 I339	F144-T337 HydrophobicContact CZ-CG2 4.32Å; C334-T337 CarbonylContact O-C 3.59Å; C334-T337 PolarHBondContact O-N 3.47Å; T337-I339 PolarHBondContact O-N 3.13Å
338	P	80.7	Confident	84.2	Confident	7 Å²	7	47.2 Å²	47.2	5%	0.045	27%	0.274	C	S	.	.			trans	-63.2	132.6	-179.4	23.6	-31.8	0	0	0	110.3	F144 G340 G341 H343	F144-P338 HydrophobicContact CB-CG 4.12Å; F144-P338 HydrophobicContact CD1-CG 3.81Å; F144-P338 HydrophobicContact CE1-CG 4.29Å; F144-P338 HydrophobicContact CG-CG 3.93Å; P338-G340 PolarHBondContact O-N 2.83Å; P338-G341 PolarHBondContact O-N 2.79Å; P338-H343 HydrophobicContact CB-CB 4.39Å
339	I	81.3	Confident	84.3	Confident	64 Å²	64	42.2 Å²	42.2	33%	0.328	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-61.7	128	-176.2	-57.1	172.9	0	0	0	109.2	W238 N330 T337 G341 L342	W238-I339 HydrophobicContact CD2-CB 4.42Å; W238-I339 HydrophobicContact CD2-CG2 3.67Å; W238-I339 HydrophobicContact CE3-CG2 4.41Å; W238-I339 HydrophobicContact CG-CG2 3.74Å; W238-I339 HydrophobicContact CH2-CD1 4.36Å; W238-I339 HydrophobicContact CZ2-CD1 4.3Å; W238-I339 HydrophobicContact CZ2-CG2 4.18Å; N330-I339 PolarHBondContact ND2-N 3.47Å; N330-I339 PolarHBondContact ND2-O 2.89Å; N330-I339 WeakPolarHBondContact OD1-CB 3.33Å; N330-I339 PolarHBondContact OD1-N 3.48Å; T337-I339 PolarHBondContact O-N 3.13Å; I339-G341 PolarHBondContact O-N 3.19Å; I339-G341 VanDerWaalsContact O-N 3.14Å; I339-L342 PolarHBondContact O-N 3.46Å
340	G	78.7	Confident	84.3	Confident	23 Å²	23	38.6 Å²	38.6	24%	0.237	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	63.6	15	-177.5	0	0	0	0	0	115	Y233 H236 P338 L342	Y233-G340 WeakPolarHBondContact CD2-O 3.4Å; H236-G340 WeakPolarHBondContact CE1-CA 3.31Å; H236-G340 WeakPolarHBondContact ND1-CA 3.13Å; P338-G340 PolarHBondContact O-N 2.83Å; G340-L342 PolarHBondContact O-N 3.2Å
341	G	82.2	Confident	84.5	Confident	26 Å²	26	38.5 Å²	38.5	27%	0.268	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	68.3	9.6	-175.4	0	0	0	0	0	114.2	P338 I339 H343	P338-G341 PolarHBondContact O-N 2.79Å; I339-G341 PolarHBondContact O-N 3.19Å; I339-G341 VanDerWaalsContact O-N 3.14Å; G341-H343 PolarHBondContact O-N 3.02Å; G341-H343 PolarHBondContact O-ND1 3.37Å
342	L	89	Confident	84.8	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.223	C	C	.	.			trans	-77.6	109	-175.9	179.5	67.6	0	0	0	110.9	F323 K326 A327 N330 I339 G340 I347	F323-L342 HydrophobicContact CE1-CD1 4.26Å; F323-L342 HydrophobicContact CE2-CD1 4.17Å; F323-L342 HydrophobicContact CE2-CD2 4.19Å; F323-L342 HydrophobicContact CZ-CD1 3.52Å; F323-L342 HydrophobicContact CZ-CD2 4.34Å; K326-L342 HydrophobicContact CD-CD2 4.31Å; K326-L342 HydrophobicContact CG-CD2 4.26Å; A327-L342 HydrophobicContact CB-CD1 4.16Å; A327-L342 HydrophobicContact CB-CD2 4.35Å; A327-L342 HydrophobicContact CB-CG 4.02Å; N330-L342 PolarHBondContact ND2-O 2.89Å; I339-L342 PolarHBondContact O-N 3.46Å; G340-L342 PolarHBondContact O-N 3.2Å; L342-I347 HydrophobicContact CD1-CD1 3.92Å; L342-I347 HydrophobicContact CD1-CG1 4.23Å
343	H	88.9	Confident	85.2	Confident	10 Å²	10	30.2 Å²	30.2	5%	0.046	19%	0.194	C	C	.	.			trans	-155.7	159.8	173.5	60.3	-76	0	0	0	110.4	D143 P338 G341 A345 R346 I347	D143-H343 PolarHBondContact O-NE2 3.31Å; D143-H343 VanDerWaalsContact O-NE2 3.11Å; P338-H343 HydrophobicContact CB-CB 4.39Å; G341-H343 PolarHBondContact O-N 3.02Å; G341-H343 PolarHBondContact O-ND1 3.37Å; H343-A345 PolarHBondContact O-N 3.31Å; H343-R346 WeakPolarHBondContact CE1-CB 3.4Å; H343-R346 PolarHBondContact NE2-N 3.15Å; H343-R346 PolarHBondContact O-N 3.1Å; H343-R346 VanDerWaalsContact O-N 3.13Å; H343-I347 PolarHBondContact O-N 2.95Å
344	P	88.2	Confident	85.6	Confident	25 Å²	25	24.6 Å²	24.6	16%	0.162	17%	0.166	C	C	.	.	H	α-helix	trans	-52.3	-46.5	-175.2	-33	39.6	0	0	0	115	Y190 V191 K328 R346 I347 E348	Y190-P344 HydrophobicContact CE1-CB 3.82Å; Y190-P344 HydrophobicContact CE1-CG 4.45Å; V191-P344 HydrophobicContact CG2-CB 4.11Å; K328-P344 HydrophobicContact CG-CG 4.05Å; P344-R346 VanDerWaalsContact C-N 3.3Å; P344-R346 PolarHBondContact O-N 2.82Å; P344-I347 PolarHBondContact O-N 3.15Å; P344-E348 PolarHBondContact O-N 3.1Å
345	A	88	Confident	86	Confident	21 Å²	21	27.9 Å²	27.9	17%	0.174	18%	0.176	C	C	.	.	H	α-helix	trans	-65	-31.8	-178.3	0	0	0	0	0	113.3	H343 R349	H343-A345 PolarHBondContact O-N 3.31Å; A345-R349 PolarHBondContact O-N 3.01Å; A345-R349 VanDerWaalsContact O-N 3.16Å
346	R	90.2	Very high	86.7	Confident	14 Å²	14	27.1 Å²	27.1	5%	0.053	17%	0.169	C	C	.	.	H	α-helix	trans	-70.3	-42.5	174.1	177.3	69.7	-170.4	-176.7	9.9	112	R229 Y233 H343 P344 E348 R349 E350	R229-R346 PolarHBondContact O-NH2 3.01Å; Y233-R346 HydrophobicContact CD2-CG 4.38Å; Y233-R346 HydrophobicContact CE2-CG 3.74Å; H343-R346 WeakPolarHBondContact CE1-CB 3.4Å; H343-R346 PolarHBondContact NE2-N 3.15Å; H343-R346 PolarHBondContact O-N 3.1Å; H343-R346 VanDerWaalsContact O-N 3.13Å; P344-R346 VanDerWaalsContact C-N 3.3Å; P344-R346 PolarHBondContact O-N 2.82Å; R346-E348 VanDerWaalsContact C-N 3.3Å; R346-E348 PolarHBondContact O-N 2.93Å; R346-R349 PolarHBondContact O-N 3.23Å; R346-E350 IonicContact CZ-OE1 3.73Å; R346-E350 VanDerWaalsContact CZ-OE1 3.27Å; R346-E350 IonicContact NE-OE1 3.93Å; R346-E350 PolarHBondContact NE-OE1 3.45Å; R346-E350 IonicContact NH2-OE1 3.33Å; R346-E350 PolarHBondContact NH2-OE1 3.28Å; R346-E350 WeakPolarHBondContact O-CG 3.49Å; R346-E350 PolarHBondContact O-N 3.13Å; R346-E350 VanDerWaalsContact O-N 3.07Å
347	I	90.8	Very high	87.5	Confident	4 Å²	4	29.4 Å²	29.4	2%	0.021	17%	0.172	C	C	.	.	H	α-helix	trans	-60.2	-44	176.6	-66.5	168.7	0	0	0	110.2	Y190 M317 F323 A327 L342 H343 P344 E350 A351	Y190-I347 HydrophobicContact CD1-CG2 4.32Å; M317-I347 HydrophobicContact CE-CG2 3.25Å; M317-I347 HydrophobicContact SD-CG2 3.81Å; F323-I347 HydrophobicContact CE1-CD1 3.89Å; F323-I347 HydrophobicContact CZ-CD1 4.47Å; A327-I347 HydrophobicContact CB-CD1 3.6Å; L342-I347 HydrophobicContact CD1-CD1 3.92Å; L342-I347 HydrophobicContact CD1-CG1 4.23Å; H343-I347 PolarHBondContact O-N 2.95Å; P344-I347 PolarHBondContact O-N 3.15Å; I347-E350 PolarHBondContact O-N 3.09Å; I347-A351 PolarHBondContact O-N 3.46Å; I347-A351 VanDerWaalsContact O-N 3.15Å
348	E	90	Very high	87.6	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-55.7	-52.4	175	-171.6	70.1	-170.4	0	0	111.1	L189 Y190 V191 P344 R346 E350 A351 V352	L189-E348 WeakPolarHBondContact CA-OE1 3.44Å; L189-E348 WeakPolarHBondContact CB-OE1 3.2Å; L189-E348 PolarHBondContact N-OE1 3.12Å; Y190-E348 VanDerWaalsContact CA-OE2 3.24Å; Y190-E348 WeakPolarHBondContact CA-OE2 3.2Å; Y190-E348 WeakPolarHBondContact CB-OE2 3.37Å; Y190-E348 PolarHBondContact N-OE2 3.46Å; V191-E348 HydrophobicContact CB-CG 4.5Å; V191-E348 HydrophobicContact CG2-CB 4.22Å; V191-E348 PolarHBondContact N-OE2 3.21Å; P344-E348 PolarHBondContact O-N 3.1Å; R346-E348 VanDerWaalsContact C-N 3.3Å; R346-E348 PolarHBondContact O-N 2.93Å; E348-E350 VanDerWaalsContact C-N 3.25Å; E348-E350 PolarHBondContact O-N 2.97Å; E348-A351 PolarHBondContact O-N 3.44Å; E348-A351 VanDerWaalsContact O-N 3.1Å; E348-V352 WeakPolarHBondContact O-CG2 3.42Å; E348-V352 PolarHBondContact O-N 3.37Å
349	R	90.1	Very high	87.7	Confident	19 Å²	19	35.8 Å²	35.8	7%	0.072	23%	0.229	C	C	.	.	H	α-helix	trans	-58.9	-36.4	-179.2	178.5	174.6	59.5	178.5	-14.4	112.8	D143 K256 A345 R346 A351 V352	D143-R349 IonicContact OD1-CZ 3.34Å; D143-R349 VanDerWaalsContact OD1-CZ 3.29Å; D143-R349 IonicContact OD1-NH1 3.01Å; D143-R349 PolarHBondContact OD1-NH1 3.38Å; D143-R349 IonicContact OD1-NH2 2.69Å; D143-R349 PolarHBondContact OD1-NH2 3.46Å; K256-R349 PolarHBondContact NZ-O 3.25Å; A345-R349 PolarHBondContact O-N 3.01Å; A345-R349 VanDerWaalsContact O-N 3.16Å; R346-R349 PolarHBondContact O-N 3.23Å; R349-A351 VanDerWaalsContact C-N 3.35Å; R349-V352 PolarHBondContact O-N 2.69Å
350	E	89.4	Confident	88.2	Confident	6 Å²	6	34.5 Å²	34.5	3%	0.028	22%	0.224	C	C	.	.	H	α-helix	trans	-72.3	-30.7	179.3	-75.5	171.8	176.1	0	0	113.1	Y233 R239 T254 K256 R346 I347 E348 V352	Y233-E350 WeakPolarHBondContact CD1-OE1 3.4Å; Y233-E350 WeakPolarHBondContact CE1-OE1 3.22Å; Y233-E350 WeakPolarHBondContact CE1-OE2 3.47Å; Y233-E350 PolarHBondContact OH-OE2 3.45Å; R239-E350 IonicContact NH2-OE2 2.86Å; T254-E350 WeakPolarHBondContact CG2-O 3.46Å; K256-E350 WeakPolarHBondContact CE-O 3.42Å; R346-E350 IonicContact CZ-OE1 3.73Å; R346-E350 VanDerWaalsContact CZ-OE1 3.27Å; R346-E350 IonicContact NE-OE1 3.93Å; R346-E350 PolarHBondContact NE-OE1 3.45Å; R346-E350 IonicContact NH2-OE1 3.33Å; R346-E350 PolarHBondContact NH2-OE1 3.28Å; R346-E350 WeakPolarHBondContact O-CG 3.49Å; R346-E350 PolarHBondContact O-N 3.13Å; R346-E350 VanDerWaalsContact O-N 3.07Å; I347-E350 PolarHBondContact O-N 3.09Å; E348-E350 VanDerWaalsContact C-N 3.25Å; E348-E350 PolarHBondContact O-N 2.97Å; E350-V352 VanDerWaalsContact C-N 3.27Å
351	A	89.8	Confident	88.9	Confident	8 Å²	8	35.3 Å²	35.3	7%	0.066	23%	0.225	C	C	.	.	H	α-helix	trans	-74.3	-19.9	176.9	0	0	0	0	0	112.6	L189 W248 T254 I347 E348 R349	L189-A351 HydrophobicContact CD1-CB 3.63Å; W248-A351 HydrophobicContact CB-CB 3.73Å; W248-A351 HydrophobicContact CD2-CB 4.45Å; W248-A351 HydrophobicContact CG-CB 3.75Å; T254-A351 PolarHBondContact OG1-O 2.89Å; I347-A351 PolarHBondContact O-N 3.46Å; I347-A351 VanDerWaalsContact O-N 3.15Å; E348-A351 PolarHBondContact O-N 3.44Å; E348-A351 VanDerWaalsContact O-N 3.1Å; R349-A351 VanDerWaalsContact C-N 3.35Å
352	V	91.1	Very high	89.4	Confident	25 Å²	25	35.7 Å²	35.7	15%	0.152	22%	0.222	C	C	.	.	S	Bend	trans	-72.5	127.5	176.9	176.9	0	0	0	0	110.8	N181 L189 L198 K256 E348 R349 E350	N181-V352 HydrophobicContact CB-CG1 3.99Å; L189-V352 HydrophobicContact CD1-CG2 4Å; L198-V352 HydrophobicContact CD1-CG2 4.33Å; K256-V352 WeakPolarHBondContact CE-O 3.25Å; K256-V352 PolarHBondContact NZ-O 3.43Å; E348-V352 WeakPolarHBondContact O-CG2 3.42Å; E348-V352 PolarHBondContact O-N 3.37Å; R349-V352 PolarHBondContact O-N 2.69Å; E350-V352 VanDerWaalsContact C-N 3.27Å
353	T	91.8	Very high	89.4	Confident	24 Å²	24	35.7 Å²	35.7	15%	0.147	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-71	138.2	172.5	-62.2	0	0	0	0	111.4	V255 K355 F415	V255-T353 HydrophobicContact CB-CG2 3.89Å; V255-T353 HydrophobicContact CG2-CG2 4.47Å; V255-T353 WeakPolarHBondContact O-CA 3.34Å; T353-K355 PolarHBondContact O-N 2.96Å; T353-F415 HydrophobicContact CG2-CE2 4.26Å; T353-F415 HydrophobicContact CG2-CZ 3.7Å; T353-F415 WeakPolarHBondContact OG1-CZ 3.41Å
354	D	92.3	Very high	89.6	Confident	2 Å²	2	41 Å²	41	1%	0.011	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-73.1	122.2	176.9	-68.1	-8.9	0	0	0	111.3	L180 N181 V255 K256 Q257 R289	L180-D354 HydrophobicContact CD2-CB 3.89Å; N181-D354 PolarHBondContact ND2-OD1 2.88Å; N181-D354 WeakPolarHBondContact OD1-CA 3.42Å; V255-D354 PolarHBondContact O-N 2.99Å; K256-D354 WeakPolarHBondContact CA-OD2 3.28Å; K256-D354 WeakPolarHBondContact CD-OD1 3.41Å; K256-D354 WeakPolarHBondContact CD-OD2 3.34Å; K256-D354 IonicContact NZ-OD1 3.49Å; K256-D354 PolarHBondContact NZ-OD1 3.5Å; Q257-D354 PolarHBondContact N-OD2 3.29Å; R289-D354 PolarHBondContact NH2-O 3.46Å
355	K	89.1	Confident	89.7	Confident	105 Å²	105	44.9 Å²	44.9	46%	0.457	27%	0.266	S	S	.	.			trans	-106.7	123.1	179.5	-62.6	180	-171.1	170	0	110.8	N181 E183 T353	N181-K355 PolarHBondContact OD1-N 2.87Å; N181-K355 VanDerWaalsContact OD1-N 3.15Å; E183-K355 IonicContact OE1-NZ 3.29Å; E183-K355 PolarHBondContact OE1-NZ 3.46Å; E183-K355 IonicContact OE2-NZ 2.84Å; T353-K355 PolarHBondContact O-N 2.96Å
356	V	88.6	Confident	89.9	Confident	57 Å²	57	44.4 Å²	44.4	35%	0.345	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-95.6	126.8	172	-171.2	0	0	0	0	108.4	V285	V285-V356 HydrophobicContact CG1-CG2 4.09Å
357	L	86.9	Confident	89.9	Confident	85 Å²	85	46.7 Å²	46.7	45%	0.445	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-87.9	127.1	-179.2	-65	174.6	0	0	0	109.5	Q283 G359 V360	Q283-L357 VanDerWaalsContact NE2-CG 3.28Å; L357-G359 PolarHBondContact O-N 3.34Å; L357-V360 HydrophobicContact CB-CB 4.47Å; L357-V360 HydrophobicContact CB-CG2 3.75Å; L357-V360 HydrophobicContact CD1-CG2 4.28Å; L357-V360 PolarHBondContact O-N 3.03Å
358	T	82.9	Confident	90.1	Very high	148 Å²	148	46.9 Å²	46.9	91%	0.908	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	124.7	175.5	52	0	0	0	0	110.2
359	G	83.4	Confident	90.2	Very high	86 Å²	86	52.9 Å²	52.9	89%	0.887	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.8	0.6	178	0	0	0	0	0	115.3	L357	L357-G359 PolarHBondContact O-N 3.34Å
360	V	90.5	Very high	90.4	Very high	37 Å²	37	53.8 Å²	53.8	22%	0.224	33%	0.333	C	S	.	.	S	Bend	trans	-93.6	131.1	170.3	-173.5	0	0	0	0	109.3	I281 Q283 L357	I281-V360 HydrophobicContact CB-CG1 4.37Å; I281-V360 HydrophobicContact CG2-CG1 4.23Å; I281-V360 WeakPolarHBondContact O-CG1 3.08Å; Q283-V360 HydrophobicContact CG-CB 4.18Å; Q283-V360 HydrophobicContact CG-CG1 3.81Å; L357-V360 HydrophobicContact CB-CB 4.47Å; L357-V360 HydrophobicContact CB-CG2 3.75Å; L357-V360 HydrophobicContact CD1-CG2 4.28Å; L357-V360 PolarHBondContact O-N 3.03Å
361	P	92.9	Very high	90.6	Very high	39 Å²	39	54.8 Å²	54.8	25%	0.253	34%	0.339	S	S	.	.			trans	-56.8	149	176.8	-27.1	34.9	0	0	0	113.4	Y282 Q283 D365	Y282-P361 CarbonylContact C-O 3.58Å; Y282-P361 WeakPolarHBondContact CA-O 3.39Å; Y282-P361 HydrophobicContact CD1-CB 3.56Å; Y282-P361 HydrophobicContact CE1-CB 3.6Å; Y282-P361 HydrophobicContact CE1-CG 4.37Å; Q283-P361 PolarHBondContact N-O 2.81Å; P361-D365 WeakPolarHBondContact CA-OD2 3.37Å; P361-D365 HydrophobicContact CB-CB 4.29Å; P361-D365 WeakPolarHBondContact CB-OD2 3.28Å
362	T	92.9	Very high	90.8	Very high	34 Å²	34	55.9 Å²	55.9	21%	0.209	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-108.3	-175.3	179.6	67.5	0	0	0	0	111.8	Q283 V285 E364 D365	Q283-T362 WeakPolarHBondContact O-CA 3.39Å; V285-T362 HydrophobicContact CG2-CG2 4.42Å; T362-E364 VanDerWaalsContact C-N 3.27Å; T362-E364 PolarHBondContact O-N 3.16Å; T362-D365 PolarHBondContact N-OD2 3.49Å; T362-D365 PolarHBondContact O-N 3.28Å
363	L	90.2	Very high	90.8	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	34%	0.338	C	S	.	.	S	Bend	trans	-69	-25.9	176.5	-61.6	-173.4	0	0	0	113.5	V259 A267 A284 D365 L366 V368 L370	V259-L363 HydrophobicContact CG2-CD1 3.8Å; A267-L363 HydrophobicContact CB-CD2 3.37Å; A267-L363 HydrophobicContact CB-CG 4.41Å; A284-L363 HydrophobicContact CB-CD1 3.92Å; A284-L363 HydrophobicContact CB-CD2 3.53Å; A284-L363 HydrophobicContact CB-CG 3.9Å; L363-D365 VanDerWaalsContact C-N 3.26Å; L363-D365 PolarHBondContact O-N 2.92Å; L363-L366 WeakPolarHBondContact O-CB 3.21Å; L363-L366 PolarHBondContact O-N 3.36Å; L363-L366 VanDerWaalsContact O-N 3.13Å; L363-V368 HydrophobicContact CB-CB 4.32Å; L363-V368 WeakPolarHBondContact O-CB 3.27Å; L363-V368 PolarHBondContact O-N 3.41Å; L363-L370 HydrophobicContact CB-CD2 3.96Å; L363-L370 HydrophobicContact CD1-CD2 3.92Å; L363-L370 HydrophobicContact CG-CD2 4.47Å
364	E	91.9	Very high	90.8	Very high	120 Å²	120	55.4 Å²	55.4	56%	0.561	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-66	-35.6	179.3	-61.5	-176.3	159.2	0	0	110.4	T362 L366 G367 L370	T362-E364 VanDerWaalsContact C-N 3.27Å; T362-E364 PolarHBondContact O-N 3.16Å; E364-L366 PolarHBondContact O-N 3.47Å; E364-G367 WeakPolarHBondContact O-CA 3.37Å; E364-G367 PolarHBondContact O-N 2.86Å; E364-L370 HydrophobicContact CG-CD1 3.91Å; E364-L370 HydrophobicContact CG-CG 4.1Å; E364-L370 WeakPolarHBondContact OE1-CD1 3.26Å
365	D	91.4	Very high	90.8	Very high	107 Å²	107	61 Å²	61	57%	0.572	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-65	-23.4	174.9	-58.1	-43.7	0	0	0	112.7	P361 T362 L363	P361-D365 WeakPolarHBondContact CA-OD2 3.37Å; P361-D365 HydrophobicContact CB-CB 4.29Å; P361-D365 WeakPolarHBondContact CB-OD2 3.28Å; T362-D365 PolarHBondContact N-OD2 3.49Å; T362-D365 PolarHBondContact O-N 3.28Å; L363-D365 VanDerWaalsContact C-N 3.26Å; L363-D365 PolarHBondContact O-N 2.92Å
366	L	91.1	Very high	90.9	Very high	12 Å²	12	58.7 Å²	58.7	6%	0.063	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-86.8	8.4	172.6	-69.4	171.8	0	0	0	112.5	A267 N270 A271 Y282 L363 E364 V368	A267-L366 HydrophobicContact CB-CD1 3.94Å; N270-L366 HydrophobicContact CB-CB 4.5Å; N270-L366 WeakPolarHBondContact CB-O 3.44Å; N270-L366 PolarHBondContact ND2-O 3.29Å; A271-L366 HydrophobicContact CB-CD1 4.39Å; A271-L366 HydrophobicContact CB-CD2 4.22Å; Y282-L366 HydrophobicContact CD1-CD1 3.67Å; Y282-L366 HydrophobicContact CD1-CD2 4.2Å; Y282-L366 HydrophobicContact CD1-CG 3.74Å; Y282-L366 HydrophobicContact CD2-CD1 4.35Å; Y282-L366 HydrophobicContact CE1-CD1 3.97Å; Y282-L366 HydrophobicContact CE1-CD2 3.59Å; Y282-L366 HydrophobicContact CE1-CG 3.57Å; Y282-L366 HydrophobicContact CE2-CD2 4.27Å; Y282-L366 HydrophobicContact CG-CD1 3.89Å; Y282-L366 HydrophobicContact CG-CG 4.41Å; L363-L366 WeakPolarHBondContact O-CB 3.21Å; L363-L366 PolarHBondContact O-N 3.36Å; L363-L366 VanDerWaalsContact O-N 3.13Å; E364-L366 PolarHBondContact O-N 3.47Å; L366-V368 HydrophobicContact CB-CG2 4.44Å
367	G	91.2	Very high	91.1	Very high	61 Å²	61	56 Å²	56	63%	0.629	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	29.4	178.8	0	0	0	0	0	113.9	E364	E364-G367 WeakPolarHBondContact O-CA 3.37Å; E364-G367 PolarHBondContact O-N 2.86Å
368	V	93.6	Very high	91.3	Very high	9 Å²	9	53.5 Å²	53.5	6%	0.055	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-99.6	126.5	178.1	-176.1	0	0	0	0	110.1	D263 Q266 A267 L363 L366 L370	D263-V368 HydrophobicContact CB-CG1 3.83Å; Q266-V368 HydrophobicContact CB-CG1 4.12Å; Q266-V368 HydrophobicContact CB-CG2 3.97Å; Q266-V368 HydrophobicContact CG-CG1 4.46Å; Q266-V368 HydrophobicContact CG-CG2 3.98Å; A267-V368 HydrophobicContact CB-CG2 3.99Å; L363-V368 HydrophobicContact CB-CB 4.32Å; L363-V368 WeakPolarHBondContact O-CB 3.27Å; L363-V368 PolarHBondContact O-N 3.41Å; L366-V368 HydrophobicContact CB-CG2 4.44Å; V368-L370 PolarHBondContact O-N 3.06Å
369	T	93.5	Very high	91.7	Very high	126 Å²	126	54.3 Å²	54.3	77%	0.773	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-80	117	170.5	53.6	0	0	0	0	109.8
370	L	94.3	Very high	92.1	Very high	38 Å²	38	51.8 Å²	51.8	20%	0.199	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-73.2	132.5	-176.3	-66.3	-177.9	0	0	0	112.6	P287 L363 E364 V368	P287-L370 HydrophobicContact CB-CB 4.11Å; P287-L370 HydrophobicContact CB-CD1 4.21Å; P287-L370 HydrophobicContact CG-CB 4.25Å; L363-L370 HydrophobicContact CB-CD2 3.96Å; L363-L370 HydrophobicContact CD1-CD2 3.92Å; L363-L370 HydrophobicContact CG-CD2 4.47Å; E364-L370 HydrophobicContact CG-CD1 3.91Å; E364-L370 HydrophobicContact CG-CG 4.1Å; E364-L370 WeakPolarHBondContact OE1-CD1 3.26Å; V368-L370 PolarHBondContact O-N 3.06Å
371	T	94.1	Very high	92.2	Very high	26 Å²	26	50 Å²	50	16%	0.16	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-89.9	133.6	175.3	-51.9	0	0	0	0	110.3	Y224 Y260 D263 Q376	Y224-T371 PolarHBondContact OH-O 3.01Å; Y260-T371 HydrophobicContact CD1-CG2 4.21Å; D263-T371 PolarHBondContact OD1-OG1 2.76Å; D263-T371 WeakPolarHBondContact OD2-CB 3.34Å; D263-T371 PolarHBondContact OD2-N 3.31Å; D263-T371 PolarHBondContact OD2-OG1 3.29Å; T371-Q376 HydrophobicContact CG2-CG 3.81Å
372	T	92.9	Very high	92	Very high	31 Å²	31	54.8 Å²	54.8	19%	0.19	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-84.1	150.2	178.7	80.1	0	0	0	0	111.8	P287 E374 Q375	P287-T372 HydrophobicContact CG-CG2 3.87Å; T372-E374 VanDerWaalsContact C-N 3.27Å; T372-E374 WeakPolarHBondContact CB-OE2 3.36Å; T372-E374 PolarHBondContact O-N 2.71Å; T372-E374 PolarHBondContact OG1-OE2 2.93Å; T372-Q375 PolarHBondContact O-N 3.4Å
373	M	91.7	Very high	91.9	Very high	2 Å²	2	57 Å²	57	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-61.5	-36.8	-178.8	-75	-117.4	-57.9	0	0	112.5	Y224 P258 Y290 L295 W298 F299 Q375 Q376 V377	Y224-M373 HydrophobicContact CD1-CG 4.33Å; Y224-M373 HydrophobicContact CD1-SD 3.69Å; Y224-M373 HydrophobicContact CD2-SD 4.26Å; Y224-M373 HydrophobicContact CE1-CG 3.63Å; Y224-M373 HydrophobicContact CE1-SD 3.62Å; Y224-M373 HydrophobicContact CE2-CG 4.33Å; Y224-M373 HydrophobicContact CE2-SD 4.21Å; Y224-M373 HydrophobicContact CG-SD 4.01Å; Y224-M373 WeakPolarHBondContact OH-CA 3.38Å; Y224-M373 PolarHBondContact OH-N 3.28Å; P258-M373 HydrophobicContact CB-SD 3.89Å; P258-M373 HydrophobicContact CG-CE 3.74Å; P258-M373 HydrophobicContact CG-CG 3.97Å; P258-M373 HydrophobicContact CG-SD 3.34Å; P258-M373 WeakPolarHBondContact CG-SD 3.09Å; Y290-M373 HydrophobicContact CD2-CE 4.45Å; Y290-M373 HydrophobicContact CE2-CB 4.37Å; Y290-M373 HydrophobicContact CE2-CE 4.31Å; Y290-M373 HydrophobicContact CE2-CG 4.03Å; L295-M373 HydrophobicContact CD1-CE 3.21Å; L295-M373 HydrophobicContact CD2-CE 4.33Å; L295-M373 HydrophobicContact CG-CE 4.13Å; W298-M373 HydrophobicContact CH2-CB 4.45Å; W298-M373 HydrophobicContact CZ3-CB 4.35Å; W298-M373 HydrophobicContact CZ3-CE 4.02Å; F299-M373 HydrophobicContact CE1-CE 3.91Å; F299-M373 HydrophobicContact CZ-CE 3.94Å; M373-Q375 PolarHBondContact O-N 3.46Å; M373-Q376 PolarHBondContact O-N 2.73Å; M373-V377 HydrophobicContact CB-CG2 3.9Å; M373-V377 HydrophobicContact CE-CG2 4.17Å; M373-V377 HydrophobicContact CG-CG2 4.32Å; M373-V377 VanDerWaalsContact O-CB 3.26Å; M373-V377 WeakPolarHBondContact O-CB 3.46Å; M373-V377 VanDerWaalsContact O-CG2 3.22Å; M373-V377 WeakPolarHBondContact O-CG2 3.36Å; M373-V377 PolarHBondContact O-N 2.97Å; M373-V377 HydrophobicContact SD-CG2 3.73Å
374	E	91.1	Very high	91.9	Very high	37 Å²	37	60 Å²	60	17%	0.173	31%	0.309	C	S	.	.	H	α-helix	trans	-59	-29.4	-178.7	-57.6	89.2	155.2	0	0	112.6	K288 Y290 T372 P378 P402	K288-E374 WeakPolarHBondContact CD-OE1 3.22Å; K288-E374 IonicContact NZ-OE1 2.7Å; K288-E374 PolarHBondContact NZ-OE1 2.86Å; K288-E374 IonicContact NZ-OE2 2.69Å; Y290-E374 PolarHBondContact OH-OE1 2.95Å; Y290-E374 PolarHBondContact OH-OE2 3.36Å; T372-E374 VanDerWaalsContact C-N 3.27Å; T372-E374 WeakPolarHBondContact CB-OE2 3.36Å; T372-E374 PolarHBondContact O-N 2.71Å; T372-E374 PolarHBondContact OG1-OE2 2.93Å; E374-P378 VanDerWaalsContact O-CD 3.31Å; E374-P378 WeakPolarHBondContact O-CD 3.23Å; E374-P378 WeakPolarHBondContact O-CG 3.41Å; E374-P402 HydrophobicContact CG-CB 3.49Å; E374-P402 VanDerWaalsContact CG-CB 3.49Å
375	Q	91.6	Very high	91.8	Very high	119 Å²	119	57.3 Å²	57.3	56%	0.556	29%	0.294	S	S	*	.	H	α-helix	trans	-77.6	-39.9	-179.6	-67.3	172.5	-8.8	0	0	112.3	T372 M373	T372-Q375 PolarHBondContact O-N 3.4Å; M373-Q375 PolarHBondContact O-N 3.46Å
376	Q	92.6	Very high	91.5	Very high	57 Å²	57	53.2 Å²	53.2	27%	0.266	28%	0.275	S	S	.	.	H	α-helix	trans	-103.2	-38.5	-171	-74.9	-61.8	-10.2	0	0	114.9	Y224 Y260 T371 M373 P378 W379 E380	Y224-Q376 HydrophobicContact CE2-CB 4.2Å; Y260-Q376 HydrophobicContact CE1-CG 4.41Å; Y260-Q376 HydrophobicContact CE2-CB 4.43Å; Y260-Q376 HydrophobicContact CE2-CG 4.17Å; T371-Q376 HydrophobicContact CG2-CG 3.81Å; M373-Q376 PolarHBondContact O-N 2.73Å; Q376-P378 VanDerWaalsContact C-CD 3.41Å; Q376-P378 VanDerWaalsContact C-N 3.35Å; Q376-W379 WeakPolarHBondContact O-CB 3.35Å; Q376-W379 PolarHBondContact O-N 3.3Å; Q376-E380 PolarHBondContact O-N 3.05Å
377	V	91.8	Very high	91.2	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-57.9	-36.6	-174.7	175.4	0	0	0	0	113.9	Y224 L231 W298 F299 L302 M373 W379 E380 L381	Y224-V377 HydrophobicContact CD2-CG2 4.05Å; Y224-V377 HydrophobicContact CE2-CG2 4Å; L231-V377 HydrophobicContact CD1-CG1 4.39Å; L231-V377 HydrophobicContact CD1-CG2 4.2Å; L231-V377 HydrophobicContact CD2-CG1 4.08Å; L231-V377 HydrophobicContact CD2-CG2 4.35Å; W298-V377 HydrophobicContact CE3-CG1 4.49Å; W298-V377 HydrophobicContact CH2-CB 3.73Å; W298-V377 HydrophobicContact CH2-CG1 3.98Å; W298-V377 HydrophobicContact CH2-CG2 4.29Å; W298-V377 HydrophobicContact CZ3-CB 3.86Å; W298-V377 HydrophobicContact CZ3-CG1 3.75Å; W298-V377 HydrophobicContact CZ3-CG2 4.13Å; F299-V377 HydrophobicContact CD1-CG1 4.01Å; F299-V377 HydrophobicContact CE1-CG1 3.88Å; L302-V377 HydrophobicContact CD1-CG1 3.86Å; M373-V377 HydrophobicContact CB-CG2 3.9Å; M373-V377 HydrophobicContact CE-CG2 4.17Å; M373-V377 HydrophobicContact CG-CG2 4.32Å; M373-V377 VanDerWaalsContact O-CB 3.26Å; M373-V377 WeakPolarHBondContact O-CB 3.46Å; M373-V377 VanDerWaalsContact O-CG2 3.22Å; M373-V377 WeakPolarHBondContact O-CG2 3.36Å; M373-V377 PolarHBondContact O-N 2.97Å; M373-V377 HydrophobicContact SD-CG2 3.73Å; V377-W379 PolarHBondContact O-N 2.9Å; V377-E380 PolarHBondContact O-N 2.97Å; V377-L381 HydrophobicContact CG1-CD1 3.57Å; V377-L381 HydrophobicContact CG1-CG 3.95Å; V377-L381 PolarHBondContact O-N 2.87Å
378	P	91.6	Very high	90.8	Very high	33 Å²	33	56.8 Å²	56.8	21%	0.214	29%	0.289	C	S	.	.	H	α-helix	trans	-58.3	-30.9	175.9	-27.5	36.8	0	0	0	114.3	L302 E374 Q376 R385	L302-P378 HydrophobicContact CD1-CG 4.4Å; L302-P378 HydrophobicContact CD2-CB 4.19Å; L302-P378 HydrophobicContact CD2-CG 4.14Å; E374-P378 VanDerWaalsContact O-CD 3.31Å; E374-P378 WeakPolarHBondContact O-CD 3.23Å; E374-P378 WeakPolarHBondContact O-CG 3.41Å; Q376-P378 VanDerWaalsContact C-CD 3.41Å; Q376-P378 VanDerWaalsContact C-N 3.35Å; P378-R385 PolarHBondContact O-NH2 3.45Å; P378-R385 VanDerWaalsContact O-NH2 3.09Å
379	W	91.1	Very high	90.4	Very high	166 Å²	166	66.4 Å²	66.4	63%	0.629	33%	0.326	S	S	*	.	H	α-helix	trans	-77	-45.8	175.5	-65	101.6	0	0	0	111.2	Q376 V377 L381 R382	Q376-W379 WeakPolarHBondContact O-CB 3.35Å; Q376-W379 PolarHBondContact O-N 3.3Å; V377-W379 PolarHBondContact O-N 2.9Å; W379-L381 VanDerWaalsContact C-N 3.31Å; W379-L381 PolarHBondContact O-N 2.86Å; W379-R382 VanDerWaalsContact O-CB 3.25Å; W379-R382 WeakPolarHBondContact O-CB 3.24Å; W379-R382 PolarHBondContact O-N 3.16Å
380	E	92.3	Very high	90	Very high	32 Å²	32	65.8 Å²	65.8	15%	0.15	31%	0.31	C	S	.	.	H	α-helix	trans	-65	-33.1	-178.2	-63.3	-64.5	-178.1	0	0	113.4	S226 L231 Q376 V377 P383	S226-E380 WeakPolarHBondContact CA-OE2 3.26Å; S226-E380 WeakPolarHBondContact CB-OE2 3.23Å; S226-E380 VanDerWaalsContact N-CD 3.28Å; S226-E380 PolarHBondContact N-OE1 2.68Å; S226-E380 PolarHBondContact N-OE2 2.96Å; S226-E380 PolarHBondContact OG-OE1 3.17Å; S226-E380 PolarHBondContact OG-OE2 3.22Å; L231-E380 HydrophobicContact CD1-CB 3.9Å; L231-E380 HydrophobicContact CD1-CG 4.45Å; Q376-E380 PolarHBondContact O-N 3.05Å; V377-E380 PolarHBondContact O-N 2.97Å; E380-P383 WeakPolarHBondContact O-CD 3.4Å
381	L	92	Very high	89.3	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.005	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-4.3	178.2	-69.6	-179.3	0	0	0	113.9	L231 A235 F299 L302 M303 V377 W379 P383 Y384	L231-L381 HydrophobicContact CB-CD2 4.07Å; A235-L381 HydrophobicContact CB-CD2 4.41Å; F299-L381 HydrophobicContact CB-CD1 3.84Å; F299-L381 HydrophobicContact CD1-CD1 3.8Å; F299-L381 HydrophobicContact CG-CD1 4.02Å; L302-L381 HydrophobicContact CB-CD1 4.21Å; L302-L381 HydrophobicContact CD1-CD1 4.06Å; M303-L381 HydrophobicContact CG-CB 4.39Å; V377-L381 HydrophobicContact CG1-CD1 3.57Å; V377-L381 HydrophobicContact CG1-CG 3.95Å; V377-L381 PolarHBondContact O-N 2.87Å; W379-L381 VanDerWaalsContact C-N 3.31Å; W379-L381 PolarHBondContact O-N 2.86Å; L381-P383 VanDerWaalsContact C-CD 3.45Å; L381-Y384 HydrophobicContact CD2-CD2 4.27Å; L381-Y384 PolarHBondContact O-N 2.69Å
382	R	89.5	Confident	88.6	Confident	139 Å²	139	72 Å²	72	53%	0.525	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-53.3	-44.5	179.8	-174.3	179.3	179.2	174.7	0.3	113	W379 Y384 R385 L388	W379-R382 VanDerWaalsContact O-CB 3.25Å; W379-R382 WeakPolarHBondContact O-CB 3.24Å; W379-R382 PolarHBondContact O-N 3.16Å; R382-Y384 PolarHBondContact O-N 2.83Å; R382-Y384 VanDerWaalsContact O-N 3.15Å; R382-R385 WeakPolarHBondContact O-CB 3.27Å; R382-R385 WeakPolarHBondContact O-CG 3.44Å; R382-R385 PolarHBondContact O-N 3.49Å; R382-L388 VanDerWaalsContact O-CD1 3.26Å; R382-L388 WeakPolarHBondContact O-CD1 3.3Å
383	P	90.4	Very high	88.1	Confident	81 Å²	81	78.1 Å²	78.1	53%	0.526	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-62.4	-21.6	178.8	-23.2	35.6	0	0	0	114.2	E380 L381	E380-P383 WeakPolarHBondContact O-CD 3.4Å; L381-P383 VanDerWaalsContact C-CD 3.45Å
384	Y	89.8	Confident	87.5	Confident	62 Å²	62	86.9 Å²	86.9	24%	0.243	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-96.6	3.4	-176.3	-60.6	-77.2	0	0	0	113.6	R232 A235 K305 L381 R382	R232-Y384 VanDerWaalsContact CD-OH 3.22Å; R232-Y384 WeakPolarHBondContact CD-OH 3.46Å; R232-Y384 HydrophobicContact CG-CE2 4.14Å; R232-Y384 VanDerWaalsContact CG-OH 3.26Å; R232-Y384 WeakPolarHBondContact CG-OH 3.49Å; R232-Y384 PolarHBondContact NE-OH 2.67Å; A235-Y384 HydrophobicContact CB-CD1 3.74Å; A235-Y384 HydrophobicContact CB-CD2 4.01Å; A235-Y384 HydrophobicContact CB-CE1 4.18Å; A235-Y384 HydrophobicContact CB-CE2 4.43Å; A235-Y384 HydrophobicContact CB-CG 3.64Å; K305-Y384 VanDerWaalsContact CE-O 3.31Å; K305-Y384 WeakPolarHBondContact CE-O 3.49Å; K305-Y384 PolarHBondContact NZ-O 3.38Å; L381-Y384 HydrophobicContact CD2-CD2 4.27Å; L381-Y384 PolarHBondContact O-N 2.69Å; R382-Y384 PolarHBondContact O-N 2.83Å; R382-Y384 VanDerWaalsContact O-N 3.15Å
385	R	89.3	Confident	86.8	Confident	65 Å²	65	88.6 Å²	88.6	25%	0.245	45%	0.449	C	S	.	.	S	Bend	trans	-63.5	140.4	177.8	-72.1	-179.8	-175.1	175.9	7.2	111.2	M303 P378 R382	M303-R385 CarbonylContact O-C 3.58Å; M303-R385 VanDerWaalsContact O-CA 3.28Å; M303-R385 WeakPolarHBondContact O-CA 3.44Å; P378-R385 PolarHBondContact O-NH2 3.45Å; P378-R385 VanDerWaalsContact O-NH2 3.09Å; R382-R385 WeakPolarHBondContact O-CB 3.27Å; R382-R385 WeakPolarHBondContact O-CG 3.44Å; R382-R385 PolarHBondContact O-N 3.49Å
386	A	86	Confident	86.4	Confident	21 Å²	21	86.4 Å²	86.4	17%	0.174	44%	0.438	C	S	.	.	S	Bend	trans	-62.5	138.9	166.5	0	0	0	0	0	109.3	M303 R304 K305	M303-A386 PolarHBondContact O-N 3.04Å; R304-A386 HydrophobicContact CB-CB 4.28Å; K305-A386 HydrophobicContact CG-CB 4.21Å
387	A	85.1	Confident	85.8	Confident	68 Å²	68	85.8 Å²	85.8	56%	0.562	44%	0.435	S	S	*	.	S	Bend	trans	54.5	61.8	-171.8	0	0	0	0	0	112.4	Y389 Y390	A387-Y389 VanDerWaalsContact C-N 3.29Å; A387-Y389 PolarHBondContact O-N 2.96Å; A387-Y390 VanDerWaalsContact O-CB 3.28Å; A387-Y390 WeakPolarHBondContact O-CB 3.42Å; A387-Y390 PolarHBondContact O-N 3.43Å; A387-Y390 VanDerWaalsContact O-N 3.09Å
388	L	82.6	Confident	85.1	Confident	80 Å²	80	94.5 Å²	94.5	42%	0.419	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-40.2	-174.8	178.9	62.7	0	0	0	113.6	R382 Y390	R382-L388 VanDerWaalsContact O-CD1 3.26Å; R382-L388 WeakPolarHBondContact O-CD1 3.3Å; L388-Y390 VanDerWaalsContact C-N 3.27Å; L388-Y390 PolarHBondContact O-N 3.13Å
389	Y	84.6	Confident	84.6	Confident	211 Å²	211	99.2 Å²	99.2	83%	0.827	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	6.6	-178.3	-56.3	-69.2	0	0	0	113.5	A387 D391	A387-Y389 VanDerWaalsContact C-N 3.29Å; A387-Y389 PolarHBondContact O-N 2.96Å; Y389-D391 PolarHBondContact O-N 3.19Å
390	Y	85.5	Confident	84.3	Confident	113 Å²	113	93.1 Å²	93.1	44%	0.443	49%	0.486	S	S	.	.			trans	-82.1	113.5	177.5	-177.7	-101.3	0	0	0	109.7	A387 L388 A392 E396 F397	A387-Y390 VanDerWaalsContact O-CB 3.28Å; A387-Y390 WeakPolarHBondContact O-CB 3.42Å; A387-Y390 PolarHBondContact O-N 3.43Å; A387-Y390 VanDerWaalsContact O-N 3.09Å; L388-Y390 VanDerWaalsContact C-N 3.27Å; L388-Y390 PolarHBondContact O-N 3.13Å; Y390-A392 HydrophobicContact CD1-CB 4.32Å; Y390-A392 HydrophobicContact CE1-CB 4.36Å; Y390-A392 PolarHBondContact O-N 3.36Å; Y390-E396 WeakPolarHBondContact CE1-OE1 3.39Å; Y390-E396 VanDerWaalsContact CE1-OE2 3.28Å; Y390-E396 WeakPolarHBondContact CE1-OE2 3.33Å; Y390-E396 VanDerWaalsContact CZ-OE1 3.29Å; Y390-E396 PolarHBondContact OH-OE1 3.03Å; Y390-E396 PolarHBondContact OH-OE2 3.44Å; Y390-F397 AromaticContact CD1-CE2 3.89Å; Y390-F397 HydrophobicContact CD1-CE2 3.89Å; Y390-F397 HydrophobicContact CD1-CZ 4.06Å; Y390-F397 AromaticContact CE1-CE2 3.73Å; Y390-F397 HydrophobicContact CE1-CE2 3.73Å; Y390-F397 AromaticContact CE1-CZ 3.82Å; Y390-F397 HydrophobicContact CE1-CZ 3.82Å
391	D	80.8	Confident	84	Confident	153 Å²	153	95.3 Å²	95.3	82%	0.818	51%	0.505	S	S	*	.			trans	-73.2	94.9	174	-74.6	-29.6	0	0	0	109.1	Y389	Y389-D391 PolarHBondContact O-N 3.19Å
392	A	79.1	Confident	83.8	Confident	42 Å²	42	98.9 Å²	98.9	35%	0.347	53%	0.528	S	S	.	.			trans	-72.6	137.4	-179.6	0	0	0	0	0	111.3	Y390 E396 F397	Y390-A392 HydrophobicContact CD1-CB 4.32Å; Y390-A392 HydrophobicContact CE1-CB 4.36Å; Y390-A392 PolarHBondContact O-N 3.36Å; A392-E396 VanDerWaalsContact CA-OE2 3.28Å; A392-E396 WeakPolarHBondContact CA-OE2 3.44Å; A392-F397 HydrophobicContact CB-CD2 3.53Å; A392-F397 HydrophobicContact CB-CE2 3.45Å; A392-F397 VanDerWaalsContact CB-CE2 3.45Å
393	E	82.1	Confident	83.7	Confident	158 Å²	158	92.5 Å²	92.5	74%	0.738	50%	0.504	S	S	*	.			trans	-68.7	154.5	168.8	-66.2	-176.5	178.2	0	0	110.7	G395 E396	E393-G395 PolarHBondContact O-N 3.48Å; E393-G395 VanDerWaalsContact O-N 3.09Å; E393-E396 HydrophobicContact CB-CB 4.27Å; E393-E396 PolarHBondContact N-OE2 3.14Å; E393-E396 WeakPolarHBondContact O-CB 3.38Å; E393-E396 PolarHBondContact O-N 2.7Å; E393-E396 VanDerWaalsContact O-N 3.13Å
394	L	78.3	Confident	83.3	Confident	187 Å²	187	96 Å²	96	98%	0.979	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	115.9	175.7	-81.6	156.3	0	0	0	109.6
395	G	77.7	Confident	83.1	Confident	73 Å²	73	95.3 Å²	95.3	75%	0.753	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.1	-2.6	178.6	0	0	0	0	0	115.4	E393 F397	E393-G395 PolarHBondContact O-N 3.48Å; E393-G395 VanDerWaalsContact O-N 3.09Å; G395-F397 PolarHBondContact O-N 3.01Å
396	E	81.6	Confident	82.8	Confident	72 Å²	72	93.4 Å²	93.4	34%	0.336	51%	0.509	S	S	.	.	S	Bend	trans	-62	-32	177.1	-170.3	-171.2	165.6	0	0	112.6	Y390 A392 E393	Y390-E396 WeakPolarHBondContact CE1-OE1 3.39Å; Y390-E396 VanDerWaalsContact CE1-OE2 3.28Å; Y390-E396 WeakPolarHBondContact CE1-OE2 3.33Å; Y390-E396 VanDerWaalsContact CZ-OE1 3.29Å; Y390-E396 PolarHBondContact OH-OE1 3.03Å; Y390-E396 PolarHBondContact OH-OE2 3.44Å; A392-E396 VanDerWaalsContact CA-OE2 3.28Å; A392-E396 WeakPolarHBondContact CA-OE2 3.44Å; E393-E396 HydrophobicContact CB-CB 4.27Å; E393-E396 PolarHBondContact N-OE2 3.14Å; E393-E396 WeakPolarHBondContact O-CB 3.38Å; E393-E396 PolarHBondContact O-N 2.7Å; E393-E396 VanDerWaalsContact O-N 3.13Å
397	F	80.3	Confident	82.4	Confident	45 Å²	45	98.4 Å²	98.4	20%	0.197	53%	0.529	C	S	.	.	S	Bend	trans	-115.9	124.2	175.2	-59.6	-69.9	0	0	0	110.2	R304 Y390 A392 G395 T399	R304-F397 VanDerWaalsContact CZ-CE2 3.42Å; Y390-F397 AromaticContact CD1-CE2 3.89Å; Y390-F397 HydrophobicContact CD1-CE2 3.89Å; Y390-F397 HydrophobicContact CD1-CZ 4.06Å; Y390-F397 AromaticContact CE1-CE2 3.73Å; Y390-F397 HydrophobicContact CE1-CE2 3.73Å; Y390-F397 AromaticContact CE1-CZ 3.82Å; Y390-F397 HydrophobicContact CE1-CZ 3.82Å; A392-F397 HydrophobicContact CB-CD2 3.53Å; A392-F397 HydrophobicContact CB-CE2 3.45Å; A392-F397 VanDerWaalsContact CB-CE2 3.45Å; G395-F397 PolarHBondContact O-N 3.01Å; F397-T399 PolarHBondContact O-N 2.64Å
398	E	78.7	Confident	81.8	Confident	182 Å²	182	98.6 Å²	98.6	85%	0.85	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-56.8	130.1	172.4	-65.9	175.5	-174.8	0	0	110.5	P400	E398-P400 WeakPolarHBondContact O-CD 3.17Å
399	T	80.8	Confident	81.1	Confident	133 Å²	133	104.8 Å²	104.8	82%	0.816	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-71	116.9	169	49.1	0	0	0	0	108.3	F397 S401	F397-T399 PolarHBondContact O-N 2.64Å; T399-S401 PolarHBondContact O-N 2.84Å
400	P	83.7	Confident	80.5	Confident	38 Å²	38	98 Å²	98	25%	0.247	53%	0.526	C	S	.	.	P	Polyproline II helix	trans	-66.6	137.4	-175.7	27.8	-34.2	0	0	0	110.4	R301 L302 E398	R301-P400 HydrophobicContact CB-CB 3.74Å; R301-P400 HydrophobicContact CB-CG 4.21Å; L302-P400 HydrophobicContact CD2-CG 3.43Å; L302-P400 VanDerWaalsContact CD2-CG 3.43Å; L302-P400 HydrophobicContact CG-CG 3.81Å; E398-P400 WeakPolarHBondContact O-CD 3.17Å
401	S	86.7	Confident	79.8	Confident	78 Å²	78	94 Å²	94	55%	0.545	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-56.8	142.9	173.7	52.6	0	0	0	0	110.9	W298 T399	W298-S401 PolarHBondContact NE1-O 2.97Å; T399-S401 PolarHBondContact O-N 2.84Å
402	P	86.9	Confident	79.3	Confident	75 Å²	75	93.2 Å²	93.2	49%	0.487	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-62.9	154.7	178.6	28.5	-35.4	0	0	0	111.1	E374	E374-P402 HydrophobicContact CG-CB 3.49Å; E374-P402 VanDerWaalsContact CG-CB 3.49Å
403	P	87.3	Confident	78.8	Confident	6 Å²	6	100 Å²	100	4%	0.039	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-64.3	148	178.7	28	-31.9	0	0	0	109.6	Y290 E294 L295 W298 C405	Y290-P403 HydrophobicContact CD1-CB 4.04Å; Y290-P403 HydrophobicContact CD1-CG 3.61Å; Y290-P403 HydrophobicContact CE1-CB 4.47Å; Y290-P403 HydrophobicContact CE1-CG 3.64Å; Y290-P403 HydrophobicContact CG-CG 4.47Å; E294-P403 HydrophobicContact CB-CB 4.34Å; L295-P403 HydrophobicContact CD1-CG 4.36Å; W298-P403 HydrophobicContact CB-CB 4.27Å; W298-P403 HydrophobicContact CB-CG 4.44Å; W298-P403 VanDerWaalsContact CD2-CD 3.5Å; W298-P403 HydrophobicContact CD2-CG 4.03Å; W298-P403 HydrophobicContact CE3-CG 3.93Å; W298-P403 HydrophobicContact CG-CG 4.26Å; W298-P403 HydrophobicContact CZ3-CG 4.46Å; P403-C405 PolarHBondContact O-N 2.99Å
404	K	83.6	Confident	78.2	Confident	155 Å²	155	94.5 Å²	94.5	67%	0.674	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-71.4	137.2	178.5	-58.2	177.3	177.8	176.6	0	108.1	E294	E294-K404 WeakPolarHBondContact OE2-CA 3.43Å; E294-K404 WeakPolarHBondContact OE2-CB 3.17Å; E294-K404 PolarHBondContact OE2-N 3.25Å
405	C	84.6	Confident	77.7	Confident	46 Å²	46	90.6 Å²	90.6	31%	0.311	47%	0.474	S	S	.	.	B	Isolated β-bridge	trans	-78.6	140.2	173.2	-60.7	0	0	0	0	108.2	K288 R289 P403	K288-C405 VanDerWaalsContact CD-SG 3.54Å; R289-C405 WeakPolarHBondContact O-CA 3.31Å; P403-C405 PolarHBondContact O-N 2.99Å
406	I	82.7	Confident	76.7	Confident	26 Å²	26	93.2 Å²	93.2	13%	0.133	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-85.3	122.6	171.6	-66.6	169.1	0	0	0	107.7	V255 R289 Q291 D410 E411 L414	V255-I406 HydrophobicContact CB-CD1 4.46Å; V255-I406 HydrophobicContact CG1-CD1 4.1Å; V255-I406 HydrophobicContact CG2-CD1 3.64Å; R289-I406 PolarHBondContact O-N 2.76Å; Q291-I406 HydrophobicContact CB-CD1 3.62Å; Q291-I406 HydrophobicContact CB-CG1 4.36Å; Q291-I406 HydrophobicContact CG-CD1 3.98Å; I406-D410 HydrophobicContact CG2-CB 4.29Å; I406-E411 HydrophobicContact CG2-CB 3.86Å; I406-L414 HydrophobicContact CD1-CD1 3.64Å
407	E	78.8	Confident	76.5	Confident	126 Å²	126	94.3 Å²	94.3	59%	0.589	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-75	149.4	166.6	-66.5	-60.2	150	0	0	110.1	R409 D410 E411	E407-R409 PolarHBondContact O-N 3.04Å; E407-D410 PolarHBondContact O-N 3.24Å; E407-E411 PolarHBondContact O-N 2.64Å
408	A	71.7	Confident	76.3	Confident	71 Å²	71	96.9 Å²	96.9	59%	0.587	51%	0.512	S	S	*	.	H	α-helix	trans	-54.9	-27.7	-177.4	0	0	0	0	0	113.7
409	R	67.4	Low	76.1	Confident	210 Å²	210	92.2 Å²	92.2	79%	0.792	49%	0.494	S	S	*	.	H	α-helix	trans	-70.9	-37.6	176.3	-67	-178.8	178.1	179.7	-0.4	113.2	E407	E407-R409 PolarHBondContact O-N 3.04Å
410	D	71.8	Confident	75.9	Confident	69 Å²	69	89.8 Å²	89.8	37%	0.369	48%	0.475	S	S	.	.	H	α-helix	trans	-79.5	-24.9	-178.8	-68.3	-41.6	0	0	0	111.5	I406 E407 L412 R413 L414	I406-D410 HydrophobicContact CG2-CB 4.29Å; E407-D410 PolarHBondContact O-N 3.24Å; D410-L412 VanDerWaalsContact C-N 3.33Å; D410-L412 PolarHBondContact O-N 3.21Å; D410-R413 WeakPolarHBondContact O-CB 3.24Å; D410-R413 PolarHBondContact O-N 3.42Å; D410-R413 VanDerWaalsContact O-N 3.16Å; D410-R413 IonicContact OD1-CZ 3.88Å; D410-R413 IonicContact OD1-NH1 2.93Å; D410-R413 PolarHBondContact OD1-NH1 3.19Å; D410-L414 PolarHBondContact O-N 2.98Å
411	E	72.1	Confident	75.4	Confident	30 Å²	30	93 Å²	93	14%	0.14	49%	0.489	C	S	.	.	H	α-helix	trans	-60.2	-42.1	172.7	-170.9	176.9	-164.9	0	0	112.3	V255 R289 I406 E407 R413 L414 F415	V255-E411 HydrophobicContact CG2-CG 4.35Å; R289-E411 IonicContact CZ-OE1 3.27Å; R289-E411 IonicContact CZ-OE2 2.77Å; R289-E411 IonicContact NH1-OE1 3.42Å; R289-E411 PolarHBondContact NH1-OE1 3.34Å; R289-E411 IonicContact NH1-OE2 2.64Å; R289-E411 PolarHBondContact NH1-OE2 3.16Å; R289-E411 IonicContact NH2-OE1 2.85Å; R289-E411 PolarHBondContact NH2-OE1 3.15Å; R289-E411 IonicContact NH2-OE2 2.76Å; R289-E411 PolarHBondContact NH2-OE2 3.22Å; I406-E411 HydrophobicContact CG2-CB 3.86Å; E407-E411 PolarHBondContact O-N 2.64Å; E411-R413 PolarHBondContact O-N 2.92Å; E411-L414 WeakPolarHBondContact O-CB 3.43Å; E411-L414 PolarHBondContact O-N 3.44Å; E411-F415 HydrophobicContact CG-CD2 4.06Å; E411-F415 HydrophobicContact CG-CE2 3.65Å; E411-F415 VanDerWaalsContact O-CD2 3.24Å; E411-F415 WeakPolarHBondContact O-CD2 3.44Å
412	L	69.2	Low	74.6	Confident	136 Å²	136	94 Å²	94	71%	0.712	49%	0.485	S	S	*	.	H	α-helix	trans	-61	-30.9	177.5	-68.8	171.6	0	0	0	112.3	D410 L414 A416	D410-L412 VanDerWaalsContact C-N 3.33Å; D410-L412 PolarHBondContact O-N 3.21Å; L412-L414 VanDerWaalsContact C-N 3.35Å; L412-A416 PolarHBondContact O-N 2.93Å
413	R	69.6	Low	73.7	Confident	184 Å²	184	95.4 Å²	95.4	69%	0.694	49%	0.485	S	S	*	.	H	α-helix	trans	-74	-24.1	176.7	-65	175.3	171.2	163.7	-9.8	113.1	D410 E411 F415	D410-R413 WeakPolarHBondContact O-CB 3.24Å; D410-R413 PolarHBondContact O-N 3.42Å; D410-R413 VanDerWaalsContact O-N 3.16Å; D410-R413 IonicContact OD1-CZ 3.88Å; D410-R413 IonicContact OD1-NH1 2.93Å; D410-R413 PolarHBondContact OD1-NH1 3.19Å; E411-R413 PolarHBondContact O-N 2.92Å; R413-F415 VanDerWaalsContact C-N 3.32Å
414	L	69.8	Low	72.7	Confident	43 Å²	43	102.2 Å²	102.2	23%	0.225	52%	0.519	C	S	.	.	H	α-helix	trans	-75.3	-24.5	178.3	-66.3	173.4	0	0	0	112.6	V255 I406 D410 E411 L412	V255-L414 HydrophobicContact CG2-CD1 4.07Å; I406-L414 HydrophobicContact CD1-CD1 3.64Å; D410-L414 PolarHBondContact O-N 2.98Å; E411-L414 WeakPolarHBondContact O-CB 3.43Å; E411-L414 PolarHBondContact O-N 3.44Å; L412-L414 VanDerWaalsContact C-N 3.35Å
415	F	67.9	Low	71.8	Confident	104 Å²	104	97.8 Å²	97.8	46%	0.456	51%	0.506	S	S	.	.	H	α-helix	trans	-106.9	-7.2	-177.7	-61.3	-66.1	0	0	0	114.5	K253 V255 T353 E411 R413	K253-F415 VanDerWaalsContact O-CE1 3.3Å; K253-F415 WeakPolarHBondContact O-CE1 3.26Å; V255-F415 HydrophobicContact CG2-CE2 4.44Å; V255-F415 HydrophobicContact CG2-CZ 4.38Å; T353-F415 HydrophobicContact CG2-CE2 4.26Å; T353-F415 HydrophobicContact CG2-CZ 3.7Å; T353-F415 WeakPolarHBondContact OG1-CZ 3.41Å; E411-F415 HydrophobicContact CG-CD2 4.06Å; E411-F415 HydrophobicContact CG-CE2 3.65Å; E411-F415 VanDerWaalsContact O-CD2 3.24Å; E411-F415 WeakPolarHBondContact O-CD2 3.44Å; R413-F415 VanDerWaalsContact C-N 3.32Å
416	A	55.8	Low	70.6	Confident	129 Å²	129	102.5 Å²	102.5	100%	1.066	52%	0.524	S	S	*	.			trans	-71.2	0	163.4	0	0	0	0	0	110.3	L412	L412-A416 PolarHBondContact O-N 2.93Å

Retrieved 416 of 416 residues in 2122.8 ms (Link to these results)

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