A0A087XHR9_POEFO Loading...

tRNA methyltransferase 10 homolog B

S-adenosyl-L-methionine-dependent guanine N(1)-methyltransferase that catalyzes the formation of N(1)-methylguanine at position 9 (m1G9) in tRNAs. Probably not able to catalyze formation of N(1)-methyladenine at position 9 (m1A9) in tRNAs.

AlphaFold DB , UniProt , Accession A0A087XHR9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 315 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	39.5	Very low	30.4	Very low	242 Å²	242	159.4 Å²	159.4	100%	1.192	84%	0.844	S	S	*	*				0	153.5	0	-70.1	-163.5	-166.8	0	0	108.4
2	S	34.7	Very low	30.2	Very low	114 Å²	114	161.8 Å²	161.8	80%	0.797	85%	0.847	S	S	*	*			trans	73.7	93.1	-165.1	84.2	0	0	0	0	113.8
3	L	28.7	Very low	30.2	Very low	174 Å²	174	158.7 Å²	158.7	91%	0.911	84%	0.84	S	S	*	*				64.7	121.1	52.8	-76.8	163	0	0	0	115.8
4	S	29	Very low	29.9	Very low	115 Å²	115	156.7 Å²	156.7	80%	0.804	84%	0.843	S	S	*	*			trans	74.9	138.2	157.2	-111.1	0	0	0	0	117.6
5	E	29.3	Very low	29.9	Very low	145 Å²	145	156.9 Å²	156.9	68%	0.678	84%	0.836	S	S	*	*			cis	-144.6	141.6	22.5	-68.8	178.7	120.4	0	0	112.2	R7	E5-R7 IonicContact OE2-NH2 3.22Å
6	K	31.8	Very low	30.1	Very low	212 Å²	212	155.3 Å²	155.3	92%	0.922	84%	0.835	S	S	*	*			trans	-80.6	131.7	159.7	-74.1	175	175.1	177.2	0	108.2
7	R	26.8	Very low	30.1	Very low	211 Å²	211	155.2 Å²	155.2	80%	0.796	83%	0.834	S	S	*	*			trans	-114.1	119.8	161.7	-72	-172.3	-164.3	-176	5.7	110.6	E5	E5-R7 IonicContact OE2-NH2 3.22Å
8	H	27.8	Very low	30.5	Very low	194 Å²	194	155.4 Å²	155.4	90%	0.898	83%	0.834	S	S	*	*			trans	-72.8	128.5	166.7	-139.3	49.2	0	0	0	107.3
9	V	28.8	Very low	31	Very low	139 Å²	139	152.8 Å²	152.8	84%	0.842	82%	0.82	S	S	*	*			trans	-123.9	122.7	165	170.9	0	0	0	0	107.7
10	S	27.1	Very low	31.4	Very low	97 Å²	97	148.6 Å²	148.6	68%	0.678	81%	0.814	S	S	*	*			trans	-73.4	150	-174	37.5	0	0	0	0	113.1	E12	S10-E12 PolarHBondContact O-N 3.48Å
11	S	31.3	Very low	31.7	Very low	110 Å²	110	146.8 Å²	146.8	77%	0.769	81%	0.807	S	S	*	*			trans	-37.2	118.8	160.1	145	0	0	0	0	113.4
12	E	28	Very low	31.8	Very low	188 Å²	188	138 Å²	138	88%	0.879	77%	0.769	S	S	*	*			trans	-119.5	113.2	157.4	-78.2	-174.7	153.2	0	0	109.6	S10 C14	S10-E12 PolarHBondContact O-N 3.48Å; E12-C14 PolarHBondContact O-N 3.33Å
13	T	30.3	Very low	32	Very low	122 Å²	122	139.4 Å²	139.4	75%	0.748	76%	0.763	S	S	*	*			trans	-71.4	112.4	165.5	42.8	0	0	0	0	108.7	E15	T13-E15 PolarHBondContact O-N 2.97Å
14	C	26.1	Very low	32.6	Very low	131 Å²	131	137.3 Å²	137.3	89%	0.885	75%	0.752	S	S	*	*			trans	-84.8	96.5	171	-163.9	0	0	0	0	108.9	E12	E12-C14 PolarHBondContact O-N 3.33Å
15	E	29.9	Very low	33.3	Very low	159 Å²	159	138.2 Å²	138.2	74%	0.743	75%	0.746	S	S	*	*			trans	-76.6	160.6	158.9	-70.2	-169.5	132.6	0	0	110.1	T13	T13-E15 PolarHBondContact O-N 2.97Å
16	T	32.9	Very low	33.9	Very low	132 Å²	132	136 Å²	136	81%	0.81	74%	0.739	S	S	*	*			trans	77.4	106	165	59.7	0	0	0	0	118.5
17	D	29.3	Very low	34.4	Very low	153 Å²	153	133.4 Å²	133.4	82%	0.818	73%	0.734	S	S	*	*			trans	-150.7	88.5	132.2	-121.6	-10.2	0	0	0	108.9
18	L	37.5	Very low	34.9	Very low	159 Å²	159	129.9 Å²	129.9	83%	0.832	73%	0.73	S	S	*	*			trans	-114.7	42.8	172.5	-79.2	172.1	0	0	0	108.8
19	D	40.9	Very low	35.4	Very low	107 Å²	107	130 Å²	130	57%	0.572	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-87.3	-20.6	-169.6	-143.9	18.4	0	0	0	113.6	V21 S22	D19-V21 VanDerWaalsContact C-N 3.25Å; D19-V21 PolarHBondContact O-N 2.82Å; D19-V21 VanDerWaalsContact O-N 3.13Å; D19-S22 PolarHBondContact O-N 3.47Å
20	G	38.5	Very low	35.9	Very low	68 Å²	68	131.6 Å²	131.6	70%	0.701	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-74	-5	-177.2	0	0	0	0	0	116.4
21	V	38.3	Very low	36.3	Very low	110 Å²	110	133.9 Å²	133.9	67%	0.667	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-105.3	-17.7	177	-168.7	0	0	0	0	111.5	D19	D19-V21 VanDerWaalsContact C-N 3.25Å; D19-V21 PolarHBondContact O-N 2.82Å; D19-V21 VanDerWaalsContact O-N 3.13Å
22	S	40.1	Very low	36.6	Very low	58 Å²	58	136 Å²	136	41%	0.406	73%	0.73	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.3	-41.6	178.9	-159.7	0	0	0	0	111.6	D19 L24 M25 D26	D19-S22 PolarHBondContact O-N 3.47Å; S22-L24 VanDerWaalsContact C-N 3.27Å; S22-L24 PolarHBondContact O-N 3.22Å; S22-M25 WeakPolarHBondContact O-CB 3.21Å; S22-M25 PolarHBondContact O-N 3.15Å; S22-D26 PolarHBondContact O-N 3.14Å
23	E	38.8	Very low	37	Very low	143 Å²	143	134.5 Å²	134.5	67%	0.668	73%	0.727	S	S	*	*	H	α-helix	trans	-63.3	-28.8	-178.9	-72.7	-172.7	141.9	0	0	113.9	M25	E23-M25 VanDerWaalsContact C-N 3.32Å
24	L	42.3	Very low	37.4	Very low	130 Å²	130	134 Å²	134	68%	0.681	73%	0.726	S	S	*	*	H	α-helix	trans	-77.8	-18.7	176.6	-170.4	61.8	0	0	0	112.8	S22	S22-L24 VanDerWaalsContact C-N 3.27Å; S22-L24 PolarHBondContact O-N 3.22Å
25	M	43.3	Very low	37.8	Very low	135 Å²	135	136.2 Å²	136.2	67%	0.665	73%	0.729	S	S	*	*	H	α-helix	trans	-87.5	-26.2	176.4	-81.7	-72.1	-75	0	0	112.7	S22 E23	S22-M25 WeakPolarHBondContact O-CB 3.21Å; S22-M25 PolarHBondContact O-N 3.15Å; E23-M25 VanDerWaalsContact C-N 3.32Å
26	D	41.5	Very low	38	Very low	99 Å²	99	132.2 Å²	132.2	53%	0.529	73%	0.73	S	S	.	*	H	α-helix	trans	-78.3	-25.7	177.3	-75.6	-26.4	0	0	0	113	S22 L28 R29	S22-D26 PolarHBondContact O-N 3.14Å; D26-L28 PolarHBondContact O-N 3.21Å; D26-L28 VanDerWaalsContact O-N 3.13Å; D26-R29 PolarHBondContact O-N 3.05Å
27	L	42.9	Very low	38	Very low	156 Å²	156	135.4 Å²	135.4	82%	0.817	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-1	178.4	-123.4	95.7	0	0	0	115.3
28	L	37.4	Very low	38.5	Very low	137 Å²	137	137.4 Å²	137.4	72%	0.717	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.1	6.3	-179.2	-82.5	159.9	0	0	0	113.9	D26 M30	D26-L28 PolarHBondContact O-N 3.21Å; D26-L28 VanDerWaalsContact O-N 3.13Å; L28-M30 PolarHBondContact O-N 3.31Å
29	R	38.4	Very low	38.2	Very low	198 Å²	198	141.7 Å²	141.7	75%	0.747	75%	0.746	S	S	*	*			trans	-89.3	101.3	165.7	-72.3	-175.7	-169.4	-163.1	5.2	108.9	D26 D31	D26-R29 PolarHBondContact O-N 3.05Å; R29-D31 PolarHBondContact O-N 3.05Å
30	M	39	Very low	38.1	Very low	171 Å²	171	147 Å²	147	84%	0.842	76%	0.763	S	S	*	*			trans	-73.7	117.7	160.2	-78.7	170.4	39.8	0	0	108.1	L28	L28-M30 PolarHBondContact O-N 3.31Å
31	D	35.9	Very low	37.8	Very low	145 Å²	145	148.6 Å²	148.6	78%	0.775	77%	0.771	S	S	*	*			trans	-62.9	128.1	168.5	-66.3	-50.1	0	0	0	110.3	R29	R29-D31 PolarHBondContact O-N 3.05Å
32	L	37.5	Very low	37.9	Very low	156 Å²	156	153.2 Å²	153.2	82%	0.817	79%	0.785	S	S	*	*			trans	-109.4	101.8	161.7	-71.1	174.8	0	0	0	106.3
33	D	35.7	Very low	37.5	Very low	155 Å²	155	154 Å²	154	83%	0.829	80%	0.803	S	S	*	*			trans	-59.3	137	171.1	-79.1	-47.7	0	0	0	110.8
34	P	38.8	Very low	37.7	Very low	113 Å²	113	151.2 Å²	151.2	73%	0.734	81%	0.812	S	S	*	*			trans	-102.7	103.5	170.1	34.5	-22.3	0	0	0	109.8
35	D	34.3	Very low	37.4	Very low	177 Å²	177	153 Å²	153	95%	0.947	82%	0.822	S	S	*	*			trans	-155.9	121.2	152.4	-109.7	-17.6	0	0	0	111.2
36	G	34.2	Very low	37.4	Very low	74 Å²	74	150.8 Å²	150.8	76%	0.763	83%	0.825	S	S	*	*			trans	152.2	74.4	176.6	0	0	0	0	0	115.5
37	E	34.2	Very low	37.6	Very low	200 Å²	200	152.1 Å²	152.1	94%	0.935	84%	0.839	S	S	*	*			trans	46.9	133.6	149.7	-65.7	-174.9	156.3	0	0	122.7	R39	E37-R39 PolarHBondContact O-N 3.46Å
38	Q	38.2	Very low	37.8	Very low	195 Å²	195	150.3 Å²	150.3	91%	0.911	84%	0.838	S	S	*	*			trans	-58.8	123.7	-179.2	-73.6	151.9	-23.7	0	0	114.8
39	R	31.9	Very low	38.8	Very low	249 Å²	249	147 Å²	147	94%	0.94	83%	0.826	S	S	*	*			trans	-139.3	125.8	138.4	-70.1	-167.6	-177.7	-177.6	1.4	110.7	E37	E37-R39 PolarHBondContact O-N 3.46Å
40	K	39.4	Very low	40.5	Very low	217 Å²	217	140.7 Å²	140.7	94%	0.943	81%	0.813	S	S	*	*			trans	-63	129.9	176.9	-72.7	179.1	171.5	-178.6	0	111.7
41	A	31.8	Very low	41.8	Very low	103 Å²	103	140.9 Å²	140.9	85%	0.851	81%	0.809	S	S	*	*			trans	-160.5	130.2	142.3	0	0	0	0	0	109.3
42	E	39.6	Very low	43.5	Very low	206 Å²	206	138.2 Å²	138.2	96%	0.963	80%	0.795	S	S	*	*			trans	-74.9	144.8	-179.4	-63.6	170.8	148.8	0	0	111.8
43	G	33.5	Very low	45.2	Very low	76 Å²	76	134.5 Å²	134.5	78%	0.784	78%	0.778	S	S	*	*			trans	142.6	97.7	168.6	0	0	0	0	0	112.3
44	G	42	Very low	47.4	Very low	83 Å²	83	129.6 Å²	129.6	86%	0.856	75%	0.752	S	S	*	*			trans	-71	132.4	-173.1	0	0	0	0	0	114.3
45	D	36.9	Very low	49.2	Very low	168 Å²	168	132.1 Å²	132.1	90%	0.898	75%	0.747	S	S	*	*			trans	-129	124.9	165.4	-96	-31.1	0	0	0	109.6
46	A	42.5	Very low	51.3	Low	88 Å²	88	131.4 Å²	131.4	73%	0.727	74%	0.735	S	S	*	*			trans	-69	152.8	177.1	0	0	0	0	0	111.4	C48	A46-C48 PolarHBondContact O-N 3.47Å
47	P	46.5	Very low	53.5	Low	127 Å²	127	133 Å²	133	83%	0.825	72%	0.723	S	S	*	*			trans	-62.1	113.1	179.3	-17.9	30.1	0	0	0	111	S49	P47-S49 PolarHBondContact O-N 3.46Å
48	C	46	Very low	55.9	Low	118 Å²	118	129.3 Å²	129.3	80%	0.797	70%	0.7	S	S	*	*			trans	-70.7	89.9	178.7	-171.6	0	0	0	0	109.6	A46 S50	A46-C48 PolarHBondContact O-N 3.47Å; C48-S50 PolarHBondContact O-N 3.39Å
49	S	59	Low	58.1	Low	67 Å²	67	125.1 Å²	125.1	47%	0.469	68%	0.681	S	S	.	*			trans	-56.6	129.5	165.4	42.9	0	0	0	0	108.6	P47 K51 L54	P47-S49 PolarHBondContact O-N 3.46Å; S49-K51 PolarHBondContact O-N 3.07Å; S49-L54 WeakPolarHBondContact O-CD1 3.47Å; S49-L54 WeakPolarHBondContact OG-CD1 3.44Å
50	S	73.3	Confident	60.4	Low	67 Å²	67	121.1 Å²	121.1	47%	0.469	67%	0.666	S	S	.	*			trans	-50.9	130.3	-175.5	169.3	0	0	0	0	110.2	C48 N52 V53 L54	C48-S50 PolarHBondContact O-N 3.39Å; S50-N52 PolarHBondContact O-N 2.72Å; S50-V53 WeakPolarHBondContact O-CB 3.38Å; S50-V53 PolarHBondContact O-N 3.06Å; S50-L54 VanDerWaalsContact O-CD1 3.31Å; S50-L54 WeakPolarHBondContact O-CD1 3.3Å; S50-L54 PolarHBondContact O-N 2.81Å
51	K	67.7	Low	62.7	Low	175 Å²	175	115.1 Å²	115.1	76%	0.761	64%	0.641	S	S	*	*	H	α-helix	trans	-45.9	-28.5	-178.2	-72.2	178.5	176.9	173.1	0	113.3	S49 R55	S49-K51 PolarHBondContact O-N 3.07Å; K51-R55 WeakPolarHBondContact O-CB 3.38Å; K51-R55 PolarHBondContact O-N 2.87Å
52	N	70.7	Confident	65.3	Low	89 Å²	89	118.7 Å²	118.7	48%	0.476	63%	0.632	S	S	.	*	H	α-helix	trans	-72.2	-36.1	177.4	-70.3	-26.7	0	0	0	114	S50 R55 K56	S50-N52 PolarHBondContact O-N 2.72Å; N52-R55 PolarHBondContact O-N 3.11Å; N52-K56 PolarHBondContact O-N 3.08Å
53	V	74.1	Confident	67.1	Low	78 Å²	78	113.3 Å²	113.3	47%	0.473	61%	0.607	S	S	.	*	H	α-helix	trans	-69.1	-49	178.1	179.5	0	0	0	0	110	S50 R55 K56 Q57	S50-V53 WeakPolarHBondContact O-CB 3.38Å; S50-V53 PolarHBondContact O-N 3.06Å; V53-R55 PolarHBondContact O-N 3.45Å; V53-K56 PolarHBondContact O-N 3.48Å; V53-K56 VanDerWaalsContact O-N 3.11Å; V53-Q57 PolarHBondContact O-N 3.32Å
54	L	80.1	Confident	69.3	Low	51 Å²	51	113.7 Å²	113.7	27%	0.267	59%	0.591	S	S	.	*	H	α-helix	trans	-63	-28.7	174.7	-63.3	83.7	0	0	0	112.3	S49 S50 R58	S49-L54 WeakPolarHBondContact O-CD1 3.47Å; S49-L54 WeakPolarHBondContact OG-CD1 3.44Å; S50-L54 VanDerWaalsContact O-CD1 3.31Å; S50-L54 WeakPolarHBondContact O-CD1 3.3Å; S50-L54 PolarHBondContact O-N 2.81Å; L54-R58 VanDerWaalsContact O-CB 3.31Å; L54-R58 WeakPolarHBondContact O-CB 3.44Å; L54-R58 VanDerWaalsContact O-CG 3.28Å; L54-R58 WeakPolarHBondContact O-CG 3.47Å; L54-R58 PolarHBondContact O-N 3.13Å; L54-R58 PolarHBondContact O-NE 3.3Å; L54-R58 VanDerWaalsContact O-NE 3.07Å
55	R	76.8	Confident	71.4	Confident	166 Å²	166	112.6 Å²	112.6	63%	0.626	57%	0.574	S	S	*	*	H	α-helix	trans	-68.6	-43.8	175.3	-168.2	178.3	75.7	-170.3	3.5	111.1	K51 N52 V53 H59	K51-R55 WeakPolarHBondContact O-CB 3.38Å; K51-R55 PolarHBondContact O-N 2.87Å; N52-R55 PolarHBondContact O-N 3.11Å; V53-R55 PolarHBondContact O-N 3.45Å; R55-H59 VanDerWaalsContact O-CB 3.3Å; R55-H59 WeakPolarHBondContact O-CB 3.3Å; R55-H59 PolarHBondContact O-N 3.31Å
56	K	79.6	Confident	73.8	Confident	163 Å²	163	106.9 Å²	106.9	71%	0.709	55%	0.55	S	S	*	.	H	α-helix	trans	-64.7	-43.5	175.5	-75.6	-176.9	177.6	-178.3	0	111.6	N52 V53 H59 W60	N52-K56 PolarHBondContact O-N 3.08Å; V53-K56 PolarHBondContact O-N 3.48Å; V53-K56 VanDerWaalsContact O-N 3.11Å; K56-H59 PolarHBondContact O-N 3.16Å; K56-W60 WeakPolarHBondContact O-CB 3.41Å; K56-W60 PolarHBondContact O-N 2.88Å
57	Q	79.4	Confident	75.5	Confident	106 Å²	106	109.3 Å²	109.3	50%	0.495	54%	0.544	S	S	.	.	H	α-helix	trans	-61.1	-51.6	177	-174.8	177	4.6	0	0	111.9	V53 H59 W60 E61	V53-Q57 PolarHBondContact O-N 3.32Å; Q57-H59 VanDerWaalsContact C-N 3.25Å; Q57-H59 PolarHBondContact O-N 2.83Å; Q57-W60 WeakPolarHBondContact O-CB 3.29Å; Q57-W60 PolarHBondContact O-N 2.82Å; Q57-W60 VanDerWaalsContact O-N 3.1Å; Q57-E61 WeakPolarHBondContact O-CG 3.46Å; Q57-E61 PolarHBondContact O-N 2.8Å
58	R	84.9	Confident	77.3	Confident	124 Å²	124	111.1 Å²	111.1	47%	0.468	54%	0.539	S	S	.	.	H	α-helix	trans	-61	-34.4	176.5	-74.8	-178.8	-74.7	-149.6	0.9	112.7	L54 R62	L54-R58 VanDerWaalsContact O-CB 3.31Å; L54-R58 WeakPolarHBondContact O-CB 3.44Å; L54-R58 VanDerWaalsContact O-CG 3.28Å; L54-R58 WeakPolarHBondContact O-CG 3.47Å; L54-R58 PolarHBondContact O-N 3.13Å; L54-R58 PolarHBondContact O-NE 3.3Å; L54-R58 VanDerWaalsContact O-NE 3.07Å; R58-R62 WeakPolarHBondContact O-CB 3.47Å; R58-R62 WeakPolarHBondContact O-CD 3.32Å; R58-R62 WeakPolarHBondContact O-CG 3.43Å; R58-R62 PolarHBondContact O-N 3Å
59	H	84	Confident	79	Confident	107 Å²	107	108.9 Å²	108.9	50%	0.495	53%	0.525	S	S	.	.	H	α-helix	trans	-67.9	-42.6	175	-178.1	66.5	0	0	0	112	R55 K56 Q57 R62 Q63	R55-H59 VanDerWaalsContact O-CB 3.3Å; R55-H59 WeakPolarHBondContact O-CB 3.3Å; R55-H59 PolarHBondContact O-N 3.31Å; K56-H59 PolarHBondContact O-N 3.16Å; Q57-H59 VanDerWaalsContact C-N 3.25Å; Q57-H59 PolarHBondContact O-N 2.83Å; H59-R62 PolarHBondContact O-N 3.43Å; H59-Q63 PolarHBondContact CD2-NE2 3.16Å; H59-Q63 VanDerWaalsContact CD2-NE2 3.31Å; H59-Q63 PolarHBondContact NE2-NE2 3Å; H59-Q63 WeakPolarHBondContact O-CG 3.24Å; H59-Q63 PolarHBondContact O-N 2.89Å
60	W	80.1	Confident	80.2	Confident	165 Å²	165	112.9 Å²	112.9	63%	0.625	53%	0.533	S	S	*	.	H	α-helix	trans	-62.7	-46.7	175.7	-178.7	82.1	0	0	0	111.9	K56 Q57 R62 Q63 L64	K56-W60 WeakPolarHBondContact O-CB 3.41Å; K56-W60 PolarHBondContact O-N 2.88Å; Q57-W60 WeakPolarHBondContact O-CB 3.29Å; Q57-W60 PolarHBondContact O-N 2.82Å; Q57-W60 VanDerWaalsContact O-N 3.1Å; W60-R62 VanDerWaalsContact C-N 3.34Å; W60-R62 PolarHBondContact O-N 3.26Å; W60-Q63 WeakPolarHBondContact O-CB 3.47Å; W60-Q63 PolarHBondContact O-N 3.38Å; W60-Q63 VanDerWaalsContact O-N 3.11Å; W60-L64 HydrophobicContact CD2-CD1 3.38Å; W60-L64 HydrophobicContact CE3-CD1 3.58Å; W60-L64 HydrophobicContact CG-CD1 4.11Å; W60-L64 HydrophobicContact CH2-CD1 3.52Å; W60-L64 HydrophobicContact CZ2-CD1 3.32Å; W60-L64 HydrophobicContact CZ3-CD1 3.64Å; W60-L64 PolarHBondContact O-N 3.3Å
61	E	87.6	Confident	80.5	Confident	91 Å²	91	118.7 Å²	118.7	43%	0.425	55%	0.545	S	S	.	.	H	α-helix	trans	-59.2	-43	174.8	-71.3	169.9	178.6	0	0	112	Q57 Q63 L64 A65	Q57-E61 WeakPolarHBondContact O-CG 3.46Å; Q57-E61 PolarHBondContact O-N 2.8Å; E61-Q63 VanDerWaalsContact C-N 3.34Å; E61-Q63 PolarHBondContact O-N 2.92Å; E61-L64 PolarHBondContact O-N 3.47Å; E61-A65 VanDerWaalsContact O-CB 3.29Å; E61-A65 WeakPolarHBondContact O-CB 3.44Å; E61-A65 PolarHBondContact O-N 3.24Å
62	R	87	Confident	81.2	Confident	177 Å²	177	117.4 Å²	117.4	67%	0.668	54%	0.539	S	S	*	.	H	α-helix	trans	-61.3	-40.8	174	-76.7	170.2	-173.7	-178.3	1.5	112	R58 H59 W60 A66	R58-R62 WeakPolarHBondContact O-CB 3.47Å; R58-R62 WeakPolarHBondContact O-CD 3.32Å; R58-R62 WeakPolarHBondContact O-CG 3.43Å; R58-R62 PolarHBondContact O-N 3Å; H59-R62 PolarHBondContact O-N 3.43Å; W60-R62 VanDerWaalsContact C-N 3.34Å; W60-R62 PolarHBondContact O-N 3.26Å; R62-A66 WeakPolarHBondContact O-CB 3.33Å; R62-A66 PolarHBondContact O-N 2.97Å
63	Q	78.4	Confident	81.7	Confident	94 Å²	94	119.4 Å²	119.4	44%	0.439	55%	0.546	S	S	.	.	H	α-helix	trans	-66.4	-41.3	177.2	-75.3	-165.6	66.1	0	0	112.3	H59 W60 E61 A66 K67	H59-Q63 PolarHBondContact CD2-NE2 3.16Å; H59-Q63 VanDerWaalsContact CD2-NE2 3.31Å; H59-Q63 PolarHBondContact NE2-NE2 3Å; H59-Q63 WeakPolarHBondContact O-CG 3.24Å; H59-Q63 PolarHBondContact O-N 2.89Å; W60-Q63 WeakPolarHBondContact O-CB 3.47Å; W60-Q63 PolarHBondContact O-N 3.38Å; W60-Q63 VanDerWaalsContact O-N 3.11Å; E61-Q63 VanDerWaalsContact C-N 3.34Å; E61-Q63 PolarHBondContact O-N 2.92Å; Q63-A66 PolarHBondContact O-N 3.36Å; Q63-K67 WeakPolarHBondContact O-CB 3.29Å; Q63-K67 WeakPolarHBondContact O-CG 3.5Å; Q63-K67 PolarHBondContact O-N 3.1Å
64	L	79.5	Confident	81.8	Confident	84 Å²	84	119.4 Å²	119.4	44%	0.44	54%	0.541	S	S	.	.	H	α-helix	trans	-64	-46.3	174.2	-90.1	140.4	0	0	0	112.1	W60 E61 A66 K67 K68	W60-L64 HydrophobicContact CD2-CD1 3.38Å; W60-L64 HydrophobicContact CE3-CD1 3.58Å; W60-L64 HydrophobicContact CG-CD1 4.11Å; W60-L64 HydrophobicContact CH2-CD1 3.52Å; W60-L64 HydrophobicContact CZ2-CD1 3.32Å; W60-L64 HydrophobicContact CZ3-CD1 3.64Å; W60-L64 PolarHBondContact O-N 3.3Å; E61-L64 PolarHBondContact O-N 3.47Å; L64-A66 VanDerWaalsContact C-N 3.35Å; L64-A66 PolarHBondContact O-N 2.88Å; L64-K67 PolarHBondContact O-N 2.81Å; L64-K68 WeakPolarHBondContact O-CB 3.42Å; L64-K68 PolarHBondContact O-N 2.68Å
65	A	85.3	Confident	81.8	Confident	60 Å²	60	124.6 Å²	124.6	50%	0.496	56%	0.561	S	S	.	*	H	α-helix	trans	-61.7	-42.5	175.7	0	0	0	0	0	111.5	E61 K68 S69	E61-A65 VanDerWaalsContact O-CB 3.29Å; E61-A65 WeakPolarHBondContact O-CB 3.44Å; E61-A65 PolarHBondContact O-N 3.24Å; A65-K68 PolarHBondContact O-N 3.03Å; A65-S69 WeakPolarHBondContact O-CB 3.46Å; A65-S69 PolarHBondContact O-N 3.27Å
66	A	86.9	Confident	81.7	Confident	48 Å²	48	121 Å²	121	40%	0.397	55%	0.551	S	S	.	*	H	α-helix	trans	-63.5	-42.3	175.4	0	0	0	0	0	112.1	R62 Q63 L64 S69 K70	R62-A66 WeakPolarHBondContact O-CB 3.33Å; R62-A66 PolarHBondContact O-N 2.97Å; Q63-A66 PolarHBondContact O-N 3.36Å; L64-A66 VanDerWaalsContact C-N 3.35Å; L64-A66 PolarHBondContact O-N 2.88Å; A66-S69 PolarHBondContact O-N 3.34Å; A66-K70 WeakPolarHBondContact O-CB 3.44Å; A66-K70 WeakPolarHBondContact O-CG 3.01Å; A66-K70 PolarHBondContact O-N 2.78Å
67	K	78.9	Confident	81.8	Confident	138 Å²	138	119.4 Å²	119.4	60%	0.6	54%	0.541	S	S	*	.	H	α-helix	trans	-61.7	-42.8	172.9	-81.4	179.2	177.2	174.5	0	111.8	Q63 L64 R71	Q63-K67 WeakPolarHBondContact O-CB 3.29Å; Q63-K67 WeakPolarHBondContact O-CG 3.5Å; Q63-K67 PolarHBondContact O-N 3.1Å; L64-K67 PolarHBondContact O-N 2.81Å; K67-R71 WeakPolarHBondContact O-CB 3.49Å; K67-R71 VanDerWaalsContact O-CG 3.3Å; K67-R71 WeakPolarHBondContact O-CG 3.36Å; K67-R71 PolarHBondContact O-N 2.75Å
68	K	84.8	Confident	81.6	Confident	166 Å²	166	121.7 Å²	121.7	72%	0.722	55%	0.545	S	S	*	.	H	α-helix	trans	-66.1	-42.2	177.8	-169.3	176.3	-178.4	177.9	0	111.8	L64 A65 R71 K72	L64-K68 WeakPolarHBondContact O-CB 3.42Å; L64-K68 PolarHBondContact O-N 2.68Å; A65-K68 PolarHBondContact O-N 3.03Å; K68-R71 PolarHBondContact O-N 3.14Å; K68-K72 PolarHBondContact O-N 2.93Å; K68-K72 VanDerWaalsContact O-N 3.07Å
69	S	81.5	Confident	81.3	Confident	71 Å²	71	124.3 Å²	124.3	50%	0.497	56%	0.555	S	S	.	*	H	α-helix	trans	-64.1	-49.6	176.5	-168.5	0	0	0	0	111.3	A65 A66 R71 K72 E73	A65-S69 WeakPolarHBondContact O-CB 3.46Å; A65-S69 PolarHBondContact O-N 3.27Å; A66-S69 PolarHBondContact O-N 3.34Å; S69-R71 VanDerWaalsContact C-N 3.31Å; S69-R71 PolarHBondContact O-N 3.23Å; S69-K72 WeakPolarHBondContact O-CA 3.42Å; S69-K72 WeakPolarHBondContact O-CB 3.48Å; S69-K72 PolarHBondContact O-N 2.64Å; S69-E73 WeakPolarHBondContact O-CB 3.41Å; S69-E73 PolarHBondContact O-N 2.89Å
70	K	84.3	Confident	80.7	Confident	151 Å²	151	124.5 Å²	124.5	66%	0.657	56%	0.559	S	S	*	*	H	α-helix	trans	-57.3	-41.1	175.6	-77.8	-173.1	174.9	-172.3	0	112.6	A66 K72 E73 E74	A66-K70 WeakPolarHBondContact O-CB 3.44Å; A66-K70 WeakPolarHBondContact O-CG 3.01Å; A66-K70 PolarHBondContact O-N 2.78Å; K70-K72 VanDerWaalsContact C-N 3.34Å; K70-K72 PolarHBondContact O-N 2.85Å; K70-E73 PolarHBondContact O-N 2.82Å; K70-E74 VanDerWaalsContact O-CB 3.22Å; K70-E74 WeakPolarHBondContact O-CB 3.3Å; K70-E74 PolarHBondContact O-N 3.48Å
71	R	79.2	Confident	80.3	Confident	188 Å²	188	119.5 Å²	119.5	71%	0.709	54%	0.544	S	S	*	.	H	α-helix	trans	-62.7	-38.9	174.2	-75.9	176.3	-179.5	-172	0	112.4	K67 K68 S69 K75	K67-R71 WeakPolarHBondContact O-CB 3.49Å; K67-R71 VanDerWaalsContact O-CG 3.3Å; K67-R71 WeakPolarHBondContact O-CG 3.36Å; K67-R71 PolarHBondContact O-N 2.75Å; K68-R71 PolarHBondContact O-N 3.14Å; S69-R71 VanDerWaalsContact C-N 3.31Å; S69-R71 PolarHBondContact O-N 3.23Å; R71-K75 VanDerWaalsContact O-CB 3.27Å; R71-K75 WeakPolarHBondContact O-CB 3.28Å; R71-K75 PolarHBondContact O-N 3.39Å
72	K	82.4	Confident	79.4	Confident	148 Å²	148	122.5 Å²	122.5	64%	0.643	55%	0.552	S	S	*	*	H	α-helix	trans	-69.8	-45.2	178.2	-170	-179.1	179.6	-175.4	0	111.1	K68 S69 K70 K75 Q76	K68-K72 PolarHBondContact O-N 2.93Å; K68-K72 VanDerWaalsContact O-N 3.07Å; S69-K72 WeakPolarHBondContact O-CA 3.42Å; S69-K72 WeakPolarHBondContact O-CB 3.48Å; S69-K72 PolarHBondContact O-N 2.64Å; K70-K72 VanDerWaalsContact C-N 3.34Å; K70-K72 PolarHBondContact O-N 2.85Å; K72-K75 PolarHBondContact O-N 3.34Å; K72-Q76 WeakPolarHBondContact O-CG 3.48Å; K72-Q76 PolarHBondContact O-N 3.31Å
73	E	81.1	Confident	78.5	Confident	131 Å²	131	117 Å²	117	61%	0.612	55%	0.545	S	S	*	.	H	α-helix	trans	-63.3	-44.7	177.1	-171.3	178.4	-172.8	0	0	111.4	S69 K70 K75 Q76 R77	S69-E73 WeakPolarHBondContact O-CB 3.41Å; S69-E73 PolarHBondContact O-N 2.89Å; K70-E73 PolarHBondContact O-N 2.82Å; E73-K75 VanDerWaalsContact C-N 3.33Å; E73-K75 PolarHBondContact O-N 2.82Å; E73-Q76 PolarHBondContact O-N 3.18Å; E73-R77 WeakPolarHBondContact O-CB 3.28Å; E73-R77 PolarHBondContact O-N 3.03Å
74	E	76.1	Confident	77.6	Confident	79 Å²	79	119.8 Å²	119.8	37%	0.369	56%	0.558	S	S	.	*	H	α-helix	trans	-63.9	-38.4	175	-170.5	-179.1	-178.5	0	0	112	K70 R77 R78	K70-E74 VanDerWaalsContact O-CB 3.22Å; K70-E74 WeakPolarHBondContact O-CB 3.3Å; K70-E74 PolarHBondContact O-N 3.48Å; E74-R77 PolarHBondContact O-N 2.82Å; E74-R78 WeakPolarHBondContact O-CB 3.4Å; E74-R78 VanDerWaalsContact O-CG 3.25Å; E74-R78 WeakPolarHBondContact O-CG 3.45Å; E74-R78 PolarHBondContact O-N 3.29Å; E74-R78 IonicContact OE1-CZ 3.94Å; E74-R78 IonicContact OE1-NE 3.66Å; E74-R78 PolarHBondContact OE1-NE 2.87Å; E74-R78 IonicContact OE1-NH2 3.4Å; E74-R78 PolarHBondContact OE1-NH2 3.4Å
75	K	79.9	Confident	76.4	Confident	160 Å²	160	122.6 Å²	122.6	70%	0.696	57%	0.569	S	S	*	*	H	α-helix	trans	-64.2	-39.9	174.2	-175.4	176.1	-178.7	-179.9	0	111.9	R71 K72 E73 R79	R71-K75 VanDerWaalsContact O-CB 3.27Å; R71-K75 WeakPolarHBondContact O-CB 3.28Å; R71-K75 PolarHBondContact O-N 3.39Å; K72-K75 PolarHBondContact O-N 3.34Å; E73-K75 VanDerWaalsContact C-N 3.33Å; E73-K75 PolarHBondContact O-N 2.82Å; K75-R79 WeakPolarHBondContact O-CB 3.44Å; K75-R79 PolarHBondContact O-N 2.95Å
76	Q	75.7	Confident	74.9	Confident	89 Å²	89	123.8 Å²	123.8	42%	0.416	57%	0.573	S	S	.	*	H	α-helix	trans	-68.2	-43.9	175.1	-70.2	-67.2	-9.6	0	0	111.3	K72 E73 R78 R79 L80	K72-Q76 WeakPolarHBondContact O-CG 3.48Å; K72-Q76 PolarHBondContact O-N 3.31Å; E73-Q76 PolarHBondContact O-N 3.18Å; Q76-R78 VanDerWaalsContact C-N 3.35Å; Q76-R78 PolarHBondContact O-N 3.19Å; Q76-R79 WeakPolarHBondContact O-CA 3.26Å; Q76-R79 WeakPolarHBondContact O-CB 3.39Å; Q76-R79 PolarHBondContact O-N 3.15Å; Q76-L80 PolarHBondContact O-N 3.27Å
77	R	80.1	Confident	72.9	Confident	130 Å²	130	125 Å²	125	49%	0.491	59%	0.59	S	S	.	*	H	α-helix	trans	-57.8	-45.9	174.1	-170.6	-176.2	69.6	82.9	-3.4	111.6	E73 E74 R79 L80 N81	E73-R77 WeakPolarHBondContact O-CB 3.28Å; E73-R77 PolarHBondContact O-N 3.03Å; E74-R77 PolarHBondContact O-N 2.82Å; R77-R79 VanDerWaalsContact C-N 3.29Å; R77-R79 PolarHBondContact O-N 2.73Å; R77-L80 PolarHBondContact O-N 3.4Å; R77-N81 WeakPolarHBondContact O-CB 3.31Å; R77-N81 PolarHBondContact O-N 3.15Å; R77-N81 PolarHBondContact O-OD1 2.86Å
78	R	76.4	Confident	71.2	Confident	154 Å²	154	121.8 Å²	121.8	58%	0.581	60%	0.597	S	S	*	*	H	α-helix	trans	-63.1	-34.3	175	-72.2	175.6	-172.9	-155.6	4.9	112.3	E74 Q76 R82	E74-R78 WeakPolarHBondContact O-CB 3.4Å; E74-R78 VanDerWaalsContact O-CG 3.25Å; E74-R78 WeakPolarHBondContact O-CG 3.45Å; E74-R78 PolarHBondContact O-N 3.29Å; E74-R78 IonicContact OE1-CZ 3.94Å; E74-R78 IonicContact OE1-NE 3.66Å; E74-R78 PolarHBondContact OE1-NE 2.87Å; E74-R78 IonicContact OE1-NH2 3.4Å; E74-R78 PolarHBondContact OE1-NH2 3.4Å; Q76-R78 VanDerWaalsContact C-N 3.35Å; Q76-R78 PolarHBondContact O-N 3.19Å; R78-R82 VanDerWaalsContact O-CB 3.26Å; R78-R82 WeakPolarHBondContact O-CB 3.28Å; R78-R82 PolarHBondContact O-N 3.19Å; R78-R82 VanDerWaalsContact O-N 3.09Å
79	R	78.9	Confident	69	Low	180 Å²	180	120 Å²	120	68%	0.679	60%	0.595	S	S	*	*	H	α-helix	trans	-70.6	-40.5	176.4	-171.2	-179.6	175.7	-170.5	-1.1	111.8	K75 Q76 R77 A83	K75-R79 WeakPolarHBondContact O-CB 3.44Å; K75-R79 PolarHBondContact O-N 2.95Å; Q76-R79 WeakPolarHBondContact O-CA 3.26Å; Q76-R79 WeakPolarHBondContact O-CB 3.39Å; Q76-R79 PolarHBondContact O-N 3.15Å; R77-R79 VanDerWaalsContact C-N 3.29Å; R77-R79 PolarHBondContact O-N 2.73Å; R79-A83 WeakPolarHBondContact O-CB 3.48Å; R79-A83 PolarHBondContact O-N 3.29Å; R79-A83 VanDerWaalsContact O-N 3.11Å
80	L	71.1	Confident	67.3	Low	110 Å²	110	126 Å²	126	58%	0.576	62%	0.617	S	S	*	*	H	α-helix	trans	-66.1	-48.1	174.9	-82.1	155.7	0	0	0	111.6	Q76 R77 R82 A83 Q84	Q76-L80 PolarHBondContact O-N 3.27Å; R77-L80 PolarHBondContact O-N 3.4Å; L80-R82 VanDerWaalsContact C-N 3.3Å; L80-R82 PolarHBondContact O-N 2.76Å; L80-A83 WeakPolarHBondContact O-CB 3.26Å; L80-A83 PolarHBondContact O-N 3.08Å; L80-Q84 PolarHBondContact O-N 3.43Å
81	N	71.4	Confident	65.2	Low	60 Å²	60	126 Å²	126	32%	0.321	63%	0.625	S	S	.	*	H	α-helix	trans	-57.2	-44.1	175	-80.2	31.3	0	0	0	111.6	R77 A83 Q84 E85	R77-N81 WeakPolarHBondContact O-CB 3.31Å; R77-N81 PolarHBondContact O-N 3.15Å; R77-N81 PolarHBondContact O-OD1 2.86Å; N81-A83 PolarHBondContact O-N 2.82Å; N81-Q84 PolarHBondContact O-N 2.71Å; N81-E85 WeakPolarHBondContact O-CB 3.49Å; N81-E85 VanDerWaalsContact O-CG 3.31Å; N81-E85 WeakPolarHBondContact O-CG 3.19Å; N81-E85 PolarHBondContact O-N 2.54Å
82	R	69.3	Low	63.7	Low	154 Å²	154	120.4 Å²	120.4	58%	0.581	62%	0.618	S	S	*	*	H	α-helix	trans	-67.1	-25.8	178.6	-155.4	178.6	-154	-156.3	0.6	113.5	R78 L80 S86	R78-R82 VanDerWaalsContact O-CB 3.26Å; R78-R82 WeakPolarHBondContact O-CB 3.28Å; R78-R82 PolarHBondContact O-N 3.19Å; R78-R82 VanDerWaalsContact O-N 3.09Å; L80-R82 VanDerWaalsContact C-N 3.3Å; L80-R82 PolarHBondContact O-N 2.76Å; R82-S86 PolarHBondContact O-N 3.44Å; R82-S86 PolarHBondContact O-OG 2.8Å
83	A	66.6	Low	62.2	Low	63 Å²	63	117.6 Å²	117.6	52%	0.521	62%	0.623	S	S	.	*	H	α-helix	trans	-82.2	-29.7	174.3	0	0	0	0	0	112.3	R79 L80 N81 S86	R79-A83 WeakPolarHBondContact O-CB 3.48Å; R79-A83 PolarHBondContact O-N 3.29Å; R79-A83 VanDerWaalsContact O-N 3.11Å; L80-A83 WeakPolarHBondContact O-CB 3.26Å; L80-A83 PolarHBondContact O-N 3.08Å; N81-A83 PolarHBondContact O-N 2.82Å; A83-S86 WeakPolarHBondContact CA-OG 3.38Å; A83-S86 PolarHBondContact O-OG 3.2Å
84	Q	60.1	Low	61.5	Low	152 Å²	152	119.4 Å²	119.4	71%	0.71	63%	0.631	S	S	*	*	H	α-helix	trans	-73.7	-40.6	171.7	-83.2	178.8	-36.7	0	0	111.9	L80 N81 S86 G87	L80-Q84 PolarHBondContact O-N 3.43Å; N81-Q84 PolarHBondContact O-N 2.71Å; Q84-S86 PolarHBondContact O-N 3.44Å; Q84-G87 PolarHBondContact O-N 2.9Å
85	E	54.5	Low	61.4	Low	143 Å²	143	121.7 Å²	121.7	67%	0.668	64%	0.64	S	S	*	*	H	α-helix	trans	-65.3	-26.3	175.6	-73.1	165.6	-168.6	0	0	112.4	N81 G87	N81-E85 WeakPolarHBondContact O-CB 3.49Å; N81-E85 VanDerWaalsContact O-CG 3.31Å; N81-E85 WeakPolarHBondContact O-CG 3.19Å; N81-E85 PolarHBondContact O-N 2.54Å; E85-G87 PolarHBondContact O-N 3.13Å
86	S	53.2	Low	61.9	Low	85 Å²	85	117.3 Å²	117.3	59%	0.594	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-3.1	176.1	55.7	0	0	0	0	115	R82 A83 Q84	R82-S86 PolarHBondContact O-N 3.44Å; R82-S86 PolarHBondContact O-OG 2.8Å; A83-S86 WeakPolarHBondContact CA-OG 3.38Å; A83-S86 PolarHBondContact O-OG 3.2Å; Q84-S86 PolarHBondContact O-N 3.44Å
87	G	45.3	Very low	62.5	Low	73 Å²	73	121.1 Å²	121.1	75%	0.753	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-3.4	179.8	0	0	0	0	0	115.3	Q84 E85	Q84-G87 PolarHBondContact O-N 2.9Å; E85-G87 PolarHBondContact O-N 3.13Å
88	G	43.1	Very low	63	Low	71 Å²	71	125.3 Å²	125.3	73%	0.732	66%	0.661	S	S	*	*	S	Bend	trans	-121.5	-3.6	-165.6	0	0	0	0	0	117.7
89	D	38.8	Very low	63.8	Low	127 Å²	127	120.7 Å²	120.7	68%	0.679	65%	0.649	S	S	*	*			trans	-148.1	109.5	-175.9	-155.3	4.5	0	0	0	111.8
90	M	45.3	Very low	64.4	Low	197 Å²	197	116.7 Å²	116.7	97%	0.97	64%	0.639	S	S	*	*	S	Bend	trans	-93.8	19.8	-173	-86.8	-82.6	-89.2	0	0	113.2
91	D	41.5	Very low	65.4	Low	153 Å²	153	118.9 Å²	118.9	82%	0.818	65%	0.645	S	S	*	*			trans	-130.1	1.8	-175.9	-133.5	4.8	0	0	0	116.6	A93	D91-A93 PolarHBondContact O-N 2.93Å
92	A	47.3	Very low	66.5	Low	69 Å²	69	118.8 Å²	118.8	57%	0.57	65%	0.652	S	S	*	*			trans	-99.3	86.9	171.5	0	0	0	0	0	110.6	Q94	A92-Q94 VanDerWaalsContact C-N 3.32Å; A92-Q94 PolarHBondContact O-N 3.43Å
93	A	51.1	Low	67.7	Low	89 Å²	89	113.5 Å²	113.5	74%	0.736	64%	0.635	S	S	*	*			trans	-55.2	94.4	169.1	0	0	0	0	0	110.2	D91 F95	D91-A93 PolarHBondContact O-N 2.93Å; A93-F95 PolarHBondContact O-N 3.25Å
94	Q	65.9	Low	69.1	Low	170 Å²	170	111.9 Å²	111.9	79%	0.794	62%	0.618	S	S	*	*			trans	-67.4	98.8	-175.5	-85.7	-179.4	2.8	0	0	109.9	A92	A92-Q94 VanDerWaalsContact C-N 3.32Å; A92-Q94 PolarHBondContact O-N 3.43Å
95	F	74.8	Confident	70.7	Confident	127 Å²	127	112.1 Å²	112.1	56%	0.557	62%	0.617	S	S	*	*			trans	-48.1	144.5	167.8	-68.5	-70.9	0	0	0	111	A93 V99 M100 I103	A93-F95 PolarHBondContact O-N 3.25Å; F95-V99 HydrophobicContact CB-CB 3.95Å; F95-V99 HydrophobicContact CB-CG1 3.69Å; F95-V99 HydrophobicContact CD1-CG1 3.66Å; F95-V99 HydrophobicContact CE1-CG1 4.49Å; F95-V99 HydrophobicContact CG-CG1 3.8Å; F95-M100 HydrophobicContact CB-CG 3.99Å; F95-M100 HydrophobicContact CB-SD 3.97Å; F95-M100 HydrophobicContact CD2-SD 4.23Å; F95-I103 HydrophobicContact CD2-CD1 4.29Å
96	S	88.8	Confident	72.7	Confident	68 Å²	68	111.7 Å²	111.7	48%	0.476	62%	0.615	S	S	.	*			trans	-54.5	152.2	176.5	78.2	0	0	0	0	111	R98 V99 M100	S96-R98 PolarHBondContact O-N 3.1Å; S96-V99 WeakPolarHBondContact O-CA 3.24Å; S96-V99 WeakPolarHBondContact O-CB 3.37Å; S96-V99 PolarHBondContact O-N 3.28Å; S96-V99 WeakPolarHBondContact OG-CG2 3.45Å; S96-V99 PolarHBondContact OG-N 2.99Å; S96-M100 PolarHBondContact O-N 2.8Å
97	K	88.8	Confident	74.8	Confident	169 Å²	169	112.2 Å²	112.2	74%	0.735	60%	0.604	S	S	*	*	H	α-helix	trans	-52.4	-32.9	177.7	-69.1	-178.5	-177.9	173.1	0	113	K101	K97-K101 WeakPolarHBondContact O-CB 3.47Å; K97-K101 PolarHBondContact O-N 2.76Å
98	R	91.1	Very high	77.2	Confident	217 Å²	217	109.2 Å²	109.2	82%	0.819	57%	0.57	S	S	*	*	H	α-helix	trans	-66.6	-44.4	177.3	-174.1	176.5	-178.8	164.7	0.9	111.2	S96 K101 A102	S96-R98 PolarHBondContact O-N 3.1Å; R98-K101 PolarHBondContact O-N 3.5Å; R98-A102 PolarHBondContact O-N 2.87Å
99	V	93.3	Very high	79.7	Confident	57 Å²	57	108.5 Å²	108.5	35%	0.345	56%	0.558	S	S	.	*	H	α-helix	trans	-66.3	-47.7	177.6	173.9	0	0	0	0	110.4	F95 S96 K101 A102 I103	F95-V99 HydrophobicContact CB-CB 3.95Å; F95-V99 HydrophobicContact CB-CG1 3.69Å; F95-V99 HydrophobicContact CD1-CG1 3.66Å; F95-V99 HydrophobicContact CE1-CG1 4.49Å; F95-V99 HydrophobicContact CG-CG1 3.8Å; S96-V99 WeakPolarHBondContact O-CA 3.24Å; S96-V99 WeakPolarHBondContact O-CB 3.37Å; S96-V99 PolarHBondContact O-N 3.28Å; S96-V99 WeakPolarHBondContact OG-CG2 3.45Å; S96-V99 PolarHBondContact OG-N 2.99Å; V99-K101 VanDerWaalsContact C-N 3.26Å; V99-K101 PolarHBondContact O-N 3.45Å; V99-A102 WeakPolarHBondContact O-CA 3.24Å; V99-A102 WeakPolarHBondContact O-CB 3.38Å; V99-A102 PolarHBondContact O-N 3.09Å; V99-I103 HydrophobicContact CG1-CD1 3.8Å; V99-I103 HydrophobicContact CG1-CG1 4.31Å; V99-I103 WeakPolarHBondContact O-CG1 3.36Å; V99-I103 PolarHBondContact O-N 3.12Å
100	M	90.5	Very high	82.5	Confident	96 Å²	96	108 Å²	108	47%	0.473	55%	0.551	S	S	.	*	H	α-helix	trans	-57.4	-39.6	175.9	-68.9	-64.3	-76.5	0	0	112.4	F95 S96 T104	F95-M100 HydrophobicContact CB-CG 3.99Å; F95-M100 HydrophobicContact CB-SD 3.97Å; F95-M100 HydrophobicContact CD2-SD 4.23Å; S96-M100 PolarHBondContact O-N 2.8Å; M100-T104 WeakPolarHBondContact O-CB 3.11Å; M100-T104 PolarHBondContact O-N 3.2Å; M100-T104 PolarHBondContact O-OG1 3.35Å
101	K	91.8	Very high	84.9	Confident	157 Å²	157	98.9 Å²	98.9	68%	0.683	51%	0.507	S	S	*	.	H	α-helix	trans	-65.7	-38.7	175.6	-173.8	-179.8	178.5	-176.1	0	112	K97 R98 V99 K105	K97-K101 WeakPolarHBondContact O-CB 3.47Å; K97-K101 PolarHBondContact O-N 2.76Å; R98-K101 PolarHBondContact O-N 3.5Å; V99-K101 VanDerWaalsContact C-N 3.26Å; V99-K101 PolarHBondContact O-N 3.45Å; K101-K105 WeakPolarHBondContact O-CB 3.36Å; K101-K105 PolarHBondContact O-N 3.18Å
102	A	94.9	Very high	87.4	Confident	57 Å²	57	98.1 Å²	98.1	47%	0.471	49%	0.493	S	S	.	.	H	α-helix	trans	-65.3	-49.5	176	0	0	0	0	0	111.1	R98 V99 T104 K105 E106	R98-A102 PolarHBondContact O-N 2.87Å; V99-A102 WeakPolarHBondContact O-CA 3.24Å; V99-A102 WeakPolarHBondContact O-CB 3.38Å; V99-A102 PolarHBondContact O-N 3.09Å; A102-T104 VanDerWaalsContact C-N 3.28Å; A102-T104 PolarHBondContact O-N 2.9Å; A102-K105 WeakPolarHBondContact O-CB 3.35Å; A102-K105 PolarHBondContact O-N 2.94Å; A102-E106 PolarHBondContact O-N 2.76Å
103	I	94.7	Very high	89.4	Confident	43 Å²	43	99.4 Å²	99.4	22%	0.221	50%	0.498	C	S	.	.	H	α-helix	trans	-55.4	-45.7	175.2	-66.2	168.5	0	0	0	110.6	F95 V99 K105 E106 R107	F95-I103 HydrophobicContact CD2-CD1 4.29Å; V99-I103 HydrophobicContact CG1-CD1 3.8Å; V99-I103 HydrophobicContact CG1-CG1 4.31Å; V99-I103 WeakPolarHBondContact O-CG1 3.36Å; V99-I103 PolarHBondContact O-N 3.12Å; I103-K105 VanDerWaalsContact C-N 3.34Å; I103-K105 PolarHBondContact O-N 2.91Å; I103-E106 PolarHBondContact O-N 3.14Å; I103-R107 WeakPolarHBondContact O-CG 3.4Å; I103-R107 PolarHBondContact O-N 2.96Å
104	T	95.5	Very high	91.4	Very high	29 Å²	29	98.8 Å²	98.8	18%	0.178	49%	0.485	C	S	.	.	H	α-helix	trans	-62.2	-41.9	178.3	-56.4	0	0	0	0	111.9	M100 A102 E106 L108 K148	M100-T104 WeakPolarHBondContact O-CB 3.11Å; M100-T104 PolarHBondContact O-N 3.2Å; M100-T104 PolarHBondContact O-OG1 3.35Å; A102-T104 VanDerWaalsContact C-N 3.28Å; A102-T104 PolarHBondContact O-N 2.9Å; T104-E106 VanDerWaalsContact C-N 3.33Å; T104-L108 HydrophobicContact CG2-CD1 4.12Å; T104-L108 WeakPolarHBondContact O-CG 3.44Å; T104-L108 PolarHBondContact O-N 3.48Å; T104-L108 VanDerWaalsContact O-N 3.12Å; T104-K148 HydrophobicContact CG2-CD 4.17Å; T104-K148 HydrophobicContact CG2-CG 3.39Å; T104-K148 WeakPolarHBondContact CG2-O 3.34Å
105	K	95.1	Very high	92.7	Very high	158 Å²	158	91.3 Å²	91.3	69%	0.687	45%	0.453	S	S	*	.	H	α-helix	trans	-64.6	-40.6	178.5	-175.4	-178.5	177.9	-174.6	0	111	K101 A102 I103 A109	K101-K105 WeakPolarHBondContact O-CB 3.36Å; K101-K105 PolarHBondContact O-N 3.18Å; A102-K105 WeakPolarHBondContact O-CB 3.35Å; A102-K105 PolarHBondContact O-N 2.94Å; I103-K105 VanDerWaalsContact C-N 3.34Å; I103-K105 PolarHBondContact O-N 2.91Å; K105-A109 WeakPolarHBondContact O-CB 3.35Å; K105-A109 PolarHBondContact O-N 3.2Å
106	E	96	Very high	93.7	Very high	134 Å²	134	87.6 Å²	87.6	63%	0.626	44%	0.436	S	S	*	.	H	α-helix	trans	-64.4	-49.4	177.6	-175.1	171.9	-163.5	0	0	111.7	A102 I103 T104 L108 A109 E110	A102-E106 PolarHBondContact O-N 2.76Å; I103-E106 PolarHBondContact O-N 3.14Å; T104-E106 VanDerWaalsContact C-N 3.33Å; E106-L108 VanDerWaalsContact C-N 3.3Å; E106-L108 PolarHBondContact O-N 3.28Å; E106-A109 WeakPolarHBondContact O-CB 3.17Å; E106-A109 PolarHBondContact O-N 3.02Å; E106-E110 PolarHBondContact O-N 2.94Å
107	R	96.8	Very high	94.2	Very high	96 Å²	96	87.9 Å²	87.9	36%	0.362	43%	0.428	S	S	.	.	H	α-helix	trans	-56.5	-42.7	175.8	-70	177.2	-170.6	-179.1	-0.2	112.8	I103 A111 P153	I103-R107 WeakPolarHBondContact O-CG 3.4Å; I103-R107 PolarHBondContact O-N 2.96Å; R107-A111 WeakPolarHBondContact O-CB 3.48Å; R107-A111 PolarHBondContact O-N 3.49Å; R107-P153 HydrophobicContact CB-CG 4.16Å
108	L	96.9	Very high	94.6	Very high	9 Å²	9	79.9 Å²	79.9	5%	0.047	39%	0.393	C	S	.	.	H	α-helix	trans	-67.9	-36.1	176.9	-74.2	168.4	0	0	0	112.1	T104 E106 R112 K148 P153 A182	T104-L108 HydrophobicContact CG2-CD1 4.12Å; T104-L108 WeakPolarHBondContact O-CG 3.44Å; T104-L108 PolarHBondContact O-N 3.48Å; T104-L108 VanDerWaalsContact O-N 3.12Å; E106-L108 VanDerWaalsContact C-N 3.3Å; E106-L108 PolarHBondContact O-N 3.28Å; L108-R112 PolarHBondContact O-N 3.16Å; L108-K148 HydrophobicContact CD1-CB 4.45Å; L108-K148 HydrophobicContact CD1-CG 4.13Å; L108-P153 HydrophobicContact CD2-CB 3.85Å; L108-P153 HydrophobicContact CD2-CG 4.11Å; L108-A182 HydrophobicContact CB-CB 3.94Å; L108-A182 HydrophobicContact CD1-CB 4.13Å; L108-A182 HydrophobicContact CG-CB 4.46Å
109	A	96	Very high	95	Very high	56 Å²	56	69.5 Å²	69.5	46%	0.463	35%	0.354	S	S	.	.	H	α-helix	trans	-68.5	-42.8	176.1	0	0	0	0	0	111.6	K105 E106 A111 R112	K105-A109 WeakPolarHBondContact O-CB 3.35Å; K105-A109 PolarHBondContact O-N 3.2Å; E106-A109 WeakPolarHBondContact O-CB 3.17Å; E106-A109 PolarHBondContact O-N 3.02Å; A109-A111 VanDerWaalsContact C-N 3.34Å; A109-A111 PolarHBondContact O-N 3.19Å; A109-R112 WeakPolarHBondContact O-CB 3.39Å; A109-R112 PolarHBondContact O-N 2.82Å
110	E	95.9	Very high	95.2	Very high	117 Å²	117	66.9 Å²	66.9	55%	0.547	34%	0.338	S	S	.	.	H	α-helix	trans	-59.8	-45.7	174.6	-173	-173.7	173.5	0	0	111	E106 R112 S113 T114	E106-E110 PolarHBondContact O-N 2.94Å; E110-R112 PolarHBondContact O-N 2.81Å; E110-R112 VanDerWaalsContact O-N 3.1Å; E110-S113 PolarHBondContact O-N 2.93Å; E110-S113 PolarHBondContact O-OG 2.99Å; E110-T114 PolarHBondContact O-N 3.43Å; E110-T114 VanDerWaalsContact O-N 3.1Å; E110-T114 PolarHBondContact O-OG1 3.34Å
111	A	95.6	Very high	95.5	Very high	5 Å²	5	62.4 Å²	62.4	4%	0.041	32%	0.316	C	S	.	.	H	α-helix	trans	-56.7	-28	178.7	0	0	0	0	0	113.4	R107 A109 S113 G115 P153 H155	R107-A111 WeakPolarHBondContact O-CB 3.48Å; R107-A111 PolarHBondContact O-N 3.49Å; A109-A111 VanDerWaalsContact C-N 3.34Å; A109-A111 PolarHBondContact O-N 3.19Å; A111-S113 PolarHBondContact O-N 3.33Å; A111-G115 WeakPolarHBondContact O-CA 3.37Å; A111-G115 PolarHBondContact O-N 3.49Å; A111-P153 HydrophobicContact CB-CB 3.94Å; A111-P153 WeakPolarHBondContact CB-O 3.39Å; A111-H155 WeakPolarHBondContact O-CB 3.45Å
112	R	94.2	Very high	95.7	Very high	137 Å²	137	55 Å²	55	52%	0.517	28%	0.284	S	S	.	.	H	α-helix	trans	-60.7	-27	174.5	-67.1	177.9	75.8	-162.7	6	113.1	L108 A109 E110 H155 E184	L108-R112 PolarHBondContact O-N 3.16Å; A109-R112 WeakPolarHBondContact O-CB 3.39Å; A109-R112 PolarHBondContact O-N 2.82Å; E110-R112 PolarHBondContact O-N 2.81Å; E110-R112 VanDerWaalsContact O-N 3.1Å; R112-H155 PolarHBondContact O-CE1 3.39Å; R112-H155 PolarHBondContact O-ND1 2.82Å; R112-E184 IonicContact CZ-OE1 3.24Å; R112-E184 IonicContact NE-OE1 3.94Å; R112-E184 PolarHBondContact NE-OE1 3.17Å; R112-E184 IonicContact NH2-OE1 3.87Å; R112-E184 PolarHBondContact NH2-OE1 2.98Å; R112-E184 IonicContact NH2-OE2 3.82Å
113	S	90.6	Very high	95.6	Very high	97 Å²	97	54 Å²	54	68%	0.678	27%	0.274	S	S	*	.	H	α-helix	trans	-102	-40.2	-178	61.7	0	0	0	0	113.7	E110 A111	E110-S113 PolarHBondContact O-N 2.93Å; E110-S113 PolarHBondContact O-OG 2.99Å; A111-S113 PolarHBondContact O-N 3.33Å
114	T	92.7	Very high	95.4	Very high	76 Å²	76	52.9 Å²	52.9	47%	0.466	27%	0.268	S	S	.	.	H	α-helix	trans	-118.5	-7	-171.4	61.1	0	0	0	0	113.6	E110	E110-T114 PolarHBondContact O-N 3.43Å; E110-T114 VanDerWaalsContact O-N 3.1Å; E110-T114 PolarHBondContact O-OG1 3.34Å
115	G	93.1	Very high	95.2	Very high	12 Å²	12	51.9 Å²	51.9	12%	0.124	26%	0.262	C	S	.	.	S	Bend	trans	-72.8	151.6	-178.4	0	0	0	0	0	111.9	A111	A111-G115 WeakPolarHBondContact O-CA 3.37Å; A111-G115 PolarHBondContact O-N 3.49Å
116	R	96.4	Very high	94.8	Very high	50 Å²	50	49.8 Å²	49.8	19%	0.189	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-60.7	139.3	168.9	-62.6	-172.6	171.7	82.6	-2.9	109.2	F154 H155 V213 V215	R116-F154 HydrophobicContact CB-CD1 3.65Å; R116-F154 HydrophobicContact CB-CE1 3.55Å; R116-F154 HydrophobicContact CB-CG 4.29Å; R116-F154 HydrophobicContact CB-CZ 4.09Å; R116-F154 CarbonylContact O-C 3.47Å; R116-F154 VanDerWaalsContact O-CA 3.28Å; R116-F154 WeakPolarHBondContact O-CA 3.46Å; R116-F154 WeakPolarHBondContact O-CB 3.34Å; R116-F154 VanDerWaalsContact O-CD1 3.3Å; R116-F154 WeakPolarHBondContact O-CD1 3.38Å; R116-H155 PolarHBondContact O-N 3.03Å; R116-V213 PolarHBondContact NE-O 2.97Å; R116-V215 HydrophobicContact CG-CG2 4.12Å
117	K	98	Very high	94.3	Very high	74 Å²	74	47.4 Å²	47.4	32%	0.322	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	131.9	-174.7	-64.2	166.5	-173	158.6	0	110.3	H155 F157 F194 V218 Y219	K117-H155 WeakPolarHBondContact CA-O 3.4Å; K117-H155 HydrophobicContact CG-CB 4.35Å; K117-F157 HydrophobicContact CB-CE2 4.3Å; K117-F157 HydrophobicContact CG-CE2 4.21Å; K117-F194 HydrophobicContact CD-CD1 4.49Å; K117-F194 HydrophobicContact CD-CE1 3.83Å; K117-F194 HydrophobicContact CD-CZ 4.25Å; K117-V218 HydrophobicContact CB-CB 4.4Å; K117-V218 HydrophobicContact CB-CG1 4.18Å; K117-V218 HydrophobicContact CB-CG2 4Å; K117-V218 HydrophobicContact CD-CG2 3.88Å; K117-Y219 PolarHBondContact O-N 3.27Å; K117-Y219 VanDerWaalsContact O-N 3.14Å
118	L	98.4	Very high	94	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	125.7	173.6	-178.2	143	0	0	0	110.2	V120 F154 H155 L156 F157 Y219 L221 F274 L277	L118-V120 HydrophobicContact CD2-CG2 4.19Å; L118-F154 HydrophobicContact CB-CD1 3.73Å; L118-F154 HydrophobicContact CB-CE1 4.36Å; L118-F154 HydrophobicContact CD1-CD1 4.44Å; L118-F154 HydrophobicContact CD1-CE1 4.46Å; L118-H155 PolarHBondContact N-O 3.42Å; L118-L156 HydrophobicContact CB-CD2 4.17Å; L118-L156 HydrophobicContact CD2-CD2 3.8Å; L118-L156 WeakPolarHBondContact O-CA 3.43Å; L118-F157 PolarHBondContact O-N 3.33Å; L118-Y219 CarbonylContact C-O 3.57Å; L118-Y219 VanDerWaalsContact CA-O 3.26Å; L118-Y219 WeakPolarHBondContact CA-O 3.42Å; L118-L221 HydrophobicContact CD1-CD1 4.15Å; L118-L221 HydrophobicContact CD1-CG 4.23Å; L118-L221 HydrophobicContact CD2-CD1 4.07Å; L118-L221 HydrophobicContact CD2-CG 4.25Å; L118-L221 HydrophobicContact CG-CG 4.37Å; L118-F274 HydrophobicContact CD1-CD2 3.92Å; L118-F274 HydrophobicContact CD1-CE2 4.5Å; L118-F274 HydrophobicContact CD2-CD2 4.16Å; L118-L277 HydrophobicContact CD1-CD1 3.68Å
119	C	98.3	Very high	93.9	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	143.3	175.4	-57.3	0	0	0	0	110	F157 T159 C190 V218 Y219 V220 L221	C119-F157 CarbonylContact C-O 3.57Å; C119-F157 WeakPolarHBondContact CA-O 3.31Å; C119-F157 HydrophobicContact CB-CB 4.23Å; C119-T159 HydrophobicContact CB-CG2 4.18Å; C119-C190 VanDerWaalsContact SG-SG 3.62Å; C119-V218 VanDerWaalsContact SG-CG1 3.53Å; C119-Y219 PolarHBondContact N-O 3.04Å; C119-V220 HydrophobicContact CB-CG1 4.41Å; C119-V220 HydrophobicContact CB-CG2 4.2Å; C119-V220 CarbonylContact O-C 3.52Å; C119-V220 WeakPolarHBondContact O-CA 3.3Å; C119-L221 PolarHBondContact O-N 3.44Å
120	V	98.3	Very high	93.8	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	113	161.4	-172.1	0	0	0	0	107.3	L118 L122 L140 L143 F157 L158 T159 L221 V270	L118-V120 HydrophobicContact CD2-CG2 4.19Å; V120-L122 HydrophobicContact CG1-CD2 3.83Å; V120-L122 HydrophobicContact CG1-CG 4.38Å; V120-L122 PolarHBondContact O-N 3.45Å; V120-L140 HydrophobicContact CB-CD2 4.36Å; V120-L140 HydrophobicContact CG1-CD2 4.06Å; V120-L140 HydrophobicContact CG2-CD2 4.17Å; V120-L143 HydrophobicContact CG2-CD1 4.24Å; V120-F157 PolarHBondContact N-O 2.85Å; V120-L158 HydrophobicContact CB-CD2 3.91Å; V120-L158 HydrophobicContact CG2-CD2 4.09Å; V120-T159 PolarHBondContact O-N 3.4Å; V120-T159 VanDerWaalsContact O-N 3.16Å; V120-T159 PolarHBondContact O-OG1 3.2Å; V120-L221 CarbonylContact C-O 3.58Å; V120-L221 WeakPolarHBondContact CA-O 3.42Å; V120-V270 HydrophobicContact CG1-CG1 4.13Å; V120-V270 HydrophobicContact CG2-CG1 4.14Å
121	D	97	Very high	93.7	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.016	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	114.3	177.3	174	1.8	0	0	0	109.5	S123 Y201 V220 L221 G223 R237	D121-S123 WeakPolarHBondContact OD1-CB 3.28Å; D121-S123 PolarHBondContact OD1-N 2.58Å; D121-S123 PolarHBondContact OD1-OG 3.41Å; D121-S123 PolarHBondContact OD2-OG 2.92Å; D121-Y201 HydrophobicContact CB-CE2 4.31Å; D121-Y201 PolarHBondContact OD2-OH 3.18Å; D121-V220 HydrophobicContact CB-CG1 3.8Å; D121-L221 PolarHBondContact N-O 3.16Å; D121-G223 VanDerWaalsContact O-CA 3.31Å; D121-G223 WeakPolarHBondContact O-CA 3.43Å; D121-G223 PolarHBondContact O-N 3.16Å; D121-R237 IonicContact OD2-NE 2.7Å
122	L	96.5	Very high	93.7	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	26%	0.264	C	S	.	.			trans	-105.6	11.1	-177.1	-58.3	173	0	0	0	113.2	V120 M124 T125 L136 L158 T159 L161 L167	V120-L122 HydrophobicContact CG1-CD2 3.83Å; V120-L122 HydrophobicContact CG1-CG 4.38Å; V120-L122 PolarHBondContact O-N 3.45Å; L122-M124 PolarHBondContact O-N 2.77Å; L122-T125 HydrophobicContact CB-CG2 3.9Å; L122-T125 HydrophobicContact CD2-CG2 4.04Å; L122-T125 WeakPolarHBondContact O-CB 3.45Å; L122-T125 WeakPolarHBondContact O-CG2 3.25Å; L122-T125 PolarHBondContact O-N 2.86Å; L122-T125 PolarHBondContact O-OG1 2.89Å; L122-L136 HydrophobicContact CD2-CD2 3.97Å; L122-L158 HydrophobicContact CD1-CB 3.91Å; L122-L158 HydrophobicContact CD1-CD2 4.35Å; L122-L158 HydrophobicContact CD1-CG 4.49Å; L122-T159 VanDerWaalsContact CB-O 3.27Å; L122-T159 WeakPolarHBondContact CB-O 3.37Å; L122-T159 PolarHBondContact N-O 3.22Å; L122-L161 HydrophobicContact CD1-CB 3.81Å; L122-L161 HydrophobicContact CD1-CD1 4.05Å; L122-L161 HydrophobicContact CD1-CD2 3.81Å; L122-L161 HydrophobicContact CD1-CG 4.09Å; L122-L167 HydrophobicContact CB-CD2 4.28Å; L122-L167 HydrophobicContact CD1-CD2 3.84Å; L122-L167 HydrophobicContact CD2-CD2 3.59Å; L122-L167 HydrophobicContact CG-CD2 4.11Å
123	S	92.7	Very high	93.7	Very high	36 Å²	36	42.9 Å²	42.9	25%	0.252	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-24.9	-179.7	62.6	0	0	0	0	113.8	D121 T125	D121-S123 WeakPolarHBondContact OD1-CB 3.28Å; D121-S123 PolarHBondContact OD1-N 2.58Å; D121-S123 PolarHBondContact OD1-OG 3.41Å; D121-S123 PolarHBondContact OD2-OG 2.92Å; S123-T125 VanDerWaalsContact C-N 3.34Å
124	M	88.8	Confident	94	Very high	19 Å²	19	40 Å²	40	9%	0.094	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	9.9	-178.9	-62.2	175.6	-75.7	0	0	113.4	L122 D126 C127 Y201 L224 L233 R237	L122-M124 PolarHBondContact O-N 2.77Å; M124-D126 VanDerWaalsContact C-N 3.27Å; M124-D126 PolarHBondContact O-N 3Å; M124-C127 PolarHBondContact O-SG 3.22Å; M124-Y201 WeakPolarHBondContact CE-OH 3.42Å; M124-L224 HydrophobicContact CB-CD1 4.48Å; M124-L233 HydrophobicContact SD-CD1 4.49Å; M124-L233 HydrophobicContact SD-CD2 4.13Å; M124-L233 HydrophobicContact SD-CG 3.84Å; M124-R237 HydrophobicContact SD-CB 4.27Å; M124-R237 HydrophobicContact SD-CG 4.41Å
125	T	91.8	Very high	94.1	Very high	9 Å²	9	41.6 Å²	41.6	6%	0.055	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-73.7	-18.9	-171.8	57	0	0	0	0	113.9	L122 S123 C127 M128 L136 L167	L122-T125 HydrophobicContact CB-CG2 3.9Å; L122-T125 HydrophobicContact CD2-CG2 4.04Å; L122-T125 WeakPolarHBondContact O-CB 3.45Å; L122-T125 WeakPolarHBondContact O-CG2 3.25Å; L122-T125 PolarHBondContact O-N 2.86Å; L122-T125 PolarHBondContact O-OG1 2.89Å; S123-T125 VanDerWaalsContact C-N 3.34Å; T125-C127 VanDerWaalsContact C-N 3.33Å; T125-C127 PolarHBondContact O-N 3.22Å; T125-M128 HydrophobicContact CG2-CE 3.5Å; T125-M128 WeakPolarHBondContact O-CB 3.31Å; T125-M128 PolarHBondContact O-N 2.87Å; T125-L136 HydrophobicContact CG2-CD2 3.92Å; T125-L167 HydrophobicContact CG2-CD2 3.58Å
126	D	87.6	Confident	94.3	Very high	114 Å²	114	41 Å²	41	61%	0.61	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-70.8	-24.5	-177.9	-74.8	-32.7	0	0	0	114.2	M124 M128 R166	M124-D126 VanDerWaalsContact C-N 3.27Å; M124-D126 PolarHBondContact O-N 3Å; D126-M128 VanDerWaalsContact C-N 3.27Å; D126-M128 PolarHBondContact O-N 2.92Å; D126-R166 PolarHBondContact O-NH2 3.25Å
127	C	85.2	Confident	94.3	Very high	84 Å²	84	38.6 Å²	38.6	57%	0.568	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-81.8	-3.5	175.7	69.2	0	0	0	0	113.6	M124 T125	M124-C127 PolarHBondContact O-SG 3.22Å; T125-C127 VanDerWaalsContact C-N 3.33Å; T125-C127 PolarHBondContact O-N 3.22Å
128	M	90.9	Very high	94.3	Very high	7 Å²	7	35.3 Å²	35.3	3%	0.034	19%	0.189	C	C	.	.	S	Bend	trans	-86.6	147.9	-178.7	-69.4	-167.5	-71.4	0	0	113	T125 D126 E132 I133 L136 R166 L224 V225	T125-M128 HydrophobicContact CG2-CE 3.5Å; T125-M128 WeakPolarHBondContact O-CB 3.31Å; T125-M128 PolarHBondContact O-N 2.87Å; D126-M128 VanDerWaalsContact C-N 3.27Å; D126-M128 PolarHBondContact O-N 2.92Å; M128-E132 HydrophobicContact CB-CB 3.91Å; M128-E132 HydrophobicContact CG-CB 4.18Å; M128-E132 HydrophobicContact SD-CB 4.01Å; M128-I133 HydrophobicContact CB-CG1 3.9Å; M128-I133 HydrophobicContact CE-CG1 4.31Å; M128-L136 HydrophobicContact CE-CD2 3.43Å; M128-L136 VanDerWaalsContact CE-CD2 3.43Å; M128-L136 HydrophobicContact SD-CD2 4.4Å; M128-R166 PolarHBondContact O-NH1 3.41Å; M128-L224 HydrophobicContact CG-CD1 4.06Å; M128-L224 HydrophobicContact SD-CD1 4.23Å; M128-V225 HydrophobicContact SD-CB 4.19Å; M128-V225 PolarHBondContact SD-N 2.89Å; M128-V225 VanDerWaalsContact SD-N 3.35Å
129	S	93.4	Very high	94.2	Very high	48 Å²	48	36.1 Å²	36.1	34%	0.336	19%	0.193	S	C	.	.			trans	-72	160	167.4	68.5	0	0	0	0	111.8	K131 E132 I133	S129-K131 PolarHBondContact O-N 3.44Å; S129-K131 VanDerWaalsContact O-N 3.13Å; S129-E132 VanDerWaalsContact CB-OE2 3.29Å; S129-E132 WeakPolarHBondContact CB-OE2 3.42Å; S129-E132 PolarHBondContact N-OE2 3.1Å; S129-E132 WeakPolarHBondContact O-CB 3.48Å; S129-E132 PolarHBondContact O-N 2.8Å; S129-E132 VanDerWaalsContact OG-CD 3.28Å; S129-E132 WeakPolarHBondContact OG-CG 3.39Å; S129-E132 PolarHBondContact OG-N 3.4Å; S129-E132 PolarHBondContact OG-OE2 2.86Å; S129-I133 WeakPolarHBondContact O-CG1 3.35Å; S129-I133 PolarHBondContact O-N 3Å
130	D	93.9	Very high	94.2	Very high	109 Å²	109	36.2 Å²	36.2	58%	0.583	19%	0.193	S	C	*	.	H	α-helix	trans	-59.9	-29.6	179.1	-59.7	-26.5	0	0	0	113	S134 R166	D130-S134 WeakPolarHBondContact O-CB 3.42Å; D130-S134 PolarHBondContact O-N 2.97Å; D130-S134 PolarHBondContact O-OG 2.85Å; D130-R166 IonicContact OD1-NH1 3.69Å
131	K	94.2	Very high	94.2	Very high	138 Å²	138	41 Å²	41	60%	0.6	21%	0.211	S	C	*	.	H	α-helix	trans	-67	-42.3	174.3	-68.7	178.3	-175.1	167.4	0	111.3	S129 S134 R135	S129-K131 PolarHBondContact O-N 3.44Å; S129-K131 VanDerWaalsContact O-N 3.13Å; K131-S134 PolarHBondContact O-N 3.04Å; K131-R135 WeakPolarHBondContact O-CG 3.19Å; K131-R135 PolarHBondContact O-N 3.31Å
132	E	94.9	Very high	94.2	Very high	19 Å²	19	46.5 Å²	46.5	9%	0.089	23%	0.232	C	C	.	.	H	α-helix	trans	-69.2	-42.5	177.9	-72.8	160.5	148.6	0	0	111.1	M128 S129 S134 R135 L136 V225 D226 E227	M128-E132 HydrophobicContact CB-CB 3.91Å; M128-E132 HydrophobicContact CG-CB 4.18Å; M128-E132 HydrophobicContact SD-CB 4.01Å; S129-E132 VanDerWaalsContact CB-OE2 3.29Å; S129-E132 WeakPolarHBondContact CB-OE2 3.42Å; S129-E132 PolarHBondContact N-OE2 3.1Å; S129-E132 WeakPolarHBondContact O-CB 3.48Å; S129-E132 PolarHBondContact O-N 2.8Å; S129-E132 VanDerWaalsContact OG-CD 3.28Å; S129-E132 WeakPolarHBondContact OG-CG 3.39Å; S129-E132 PolarHBondContact OG-N 3.4Å; S129-E132 PolarHBondContact OG-OE2 2.86Å; E132-S134 VanDerWaalsContact C-N 3.34Å; E132-S134 PolarHBondContact O-N 2.97Å; E132-R135 CarbonylContact O-C 3.58Å; E132-R135 WeakPolarHBondContact O-CB 3.32Å; E132-R135 PolarHBondContact O-N 3.29Å; E132-R135 VanDerWaalsContact O-N 3.09Å; E132-L136 PolarHBondContact O-N 2.98Å; E132-V225 HydrophobicContact CB-CB 4.23Å; E132-V225 HydrophobicContact CB-CG1 4.38Å; E132-V225 WeakPolarHBondContact CB-O 3.5Å; E132-V225 HydrophobicContact CG-CG1 4.3Å; E132-V225 VanDerWaalsContact CG-O 3.29Å; E132-V225 WeakPolarHBondContact CG-O 3.48Å; E132-D226 WeakPolarHBondContact OE1-CA 3.35Å; E132-E227 HydrophobicContact CG-CG 4.22Å; E132-E227 PolarHBondContact OE1-N 3.25Å
133	I	95.8	Very high	94.3	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-56.8	-48	171.8	-65.3	176.6	0	0	0	110.4	M128 S129 R135 L136 A137 R166 L167 E170	M128-I133 HydrophobicContact CB-CG1 3.9Å; M128-I133 HydrophobicContact CE-CG1 4.31Å; S129-I133 WeakPolarHBondContact O-CG1 3.35Å; S129-I133 PolarHBondContact O-N 3Å; I133-R135 VanDerWaalsContact C-N 3.28Å; I133-R135 PolarHBondContact O-N 2.64Å; I133-L136 PolarHBondContact O-N 2.85Å; I133-L136 VanDerWaalsContact O-N 3.17Å; I133-A137 WeakPolarHBondContact O-CB 3.5Å; I133-A137 PolarHBondContact O-N 3.47Å; I133-R166 HydrophobicContact CD1-CB 3.76Å; I133-L167 HydrophobicContact CG2-CB 4.14Å; I133-L167 HydrophobicContact CG2-CD1 3.83Å; I133-E170 HydrophobicContact CG2-CB 3.86Å; I133-E170 HydrophobicContact CG2-CG 4.03Å
134	S	95.8	Very high	94.5	Very high	35 Å²	35	45.5 Å²	45.5	25%	0.245	22%	0.223	C	C	.	.	H	α-helix	trans	-59.5	-38.8	176.4	-58.6	0	0	0	0	112.1	D130 K131 E132 G138 E170 M174	D130-S134 WeakPolarHBondContact O-CB 3.42Å; D130-S134 PolarHBondContact O-N 2.97Å; D130-S134 PolarHBondContact O-OG 2.85Å; K131-S134 PolarHBondContact O-N 3.04Å; E132-S134 VanDerWaalsContact C-N 3.34Å; E132-S134 PolarHBondContact O-N 2.97Å; S134-G138 PolarHBondContact O-N 3.38Å; S134-G138 VanDerWaalsContact O-N 3.13Å; S134-E170 PolarHBondContact OG-OE1 3.31Å; S134-M174 VanDerWaalsContact O-SD 3.34Å
135	R	95.9	Very high	94.9	Very high	110 Å²	110	45.9 Å²	45.9	42%	0.415	23%	0.232	S	C	.	.	H	α-helix	trans	-67.7	-43.9	176.1	-74.5	177	-168	133.4	0.9	111	K131 E132 I133 G138 Q139 V225 E227	K131-R135 WeakPolarHBondContact O-CG 3.19Å; K131-R135 PolarHBondContact O-N 3.31Å; E132-R135 CarbonylContact O-C 3.58Å; E132-R135 WeakPolarHBondContact O-CB 3.32Å; E132-R135 PolarHBondContact O-N 3.29Å; E132-R135 VanDerWaalsContact O-N 3.09Å; I133-R135 VanDerWaalsContact C-N 3.28Å; I133-R135 PolarHBondContact O-N 2.64Å; R135-G138 CarbonylContact O-C 3.56Å; R135-G138 WeakPolarHBondContact O-CA 3.25Å; R135-G138 PolarHBondContact O-N 3.03Å; R135-Q139 WeakPolarHBondContact O-CG 3.27Å; R135-Q139 PolarHBondContact O-N 2.79Å; R135-V225 HydrophobicContact CB-CG1 3.98Å; R135-E227 IonicContact CZ-OE1 2.64Å; R135-E227 VanDerWaalsContact CZ-OE1 3.25Å; R135-E227 IonicContact NH1-OE1 3.59Å; R135-E227 PolarHBondContact NH1-OE1 3.12Å; R135-E227 IonicContact NH2-OE1 2.85Å; R135-E227 PolarHBondContact NH2-OE1 2.96Å
136	L	96.8	Very high	95.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.7	-48.6	177.8	-178.2	57.8	0	0	0	111.3	L122 T125 M128 E132 I133 G138 Q139 L140 L167 G223 V225 V270	L122-L136 HydrophobicContact CD2-CD2 3.97Å; T125-L136 HydrophobicContact CG2-CD2 3.92Å; M128-L136 HydrophobicContact CE-CD2 3.43Å; M128-L136 VanDerWaalsContact CE-CD2 3.43Å; M128-L136 HydrophobicContact SD-CD2 4.4Å; E132-L136 PolarHBondContact O-N 2.98Å; I133-L136 PolarHBondContact O-N 2.85Å; I133-L136 VanDerWaalsContact O-N 3.17Å; L136-G138 PolarHBondContact O-N 2.89Å; L136-Q139 CarbonylContact O-C 3.54Å; L136-Q139 WeakPolarHBondContact O-CA 3.31Å; L136-Q139 WeakPolarHBondContact O-CB 3.32Å; L136-Q139 PolarHBondContact O-N 2.9Å; L136-L140 HydrophobicContact CD1-CG 4.43Å; L136-L140 WeakPolarHBondContact O-CG 3.25Å; L136-L140 PolarHBondContact O-N 3.19Å; L136-L167 HydrophobicContact CB-CD1 4.29Å; L136-L167 HydrophobicContact CD2-CD1 4.06Å; L136-L167 HydrophobicContact CD2-CD2 3.79Å; L136-L167 HydrophobicContact CG-CD1 4.16Å; L136-L167 HydrophobicContact CG-CD2 4.47Å; L136-G223 WeakPolarHBondContact CD2-O 3.49Å; L136-V225 HydrophobicContact CB-CG2 3.8Å; L136-V225 HydrophobicContact CD1-CG2 4.16Å; L136-V270 HydrophobicContact CD1-CG2 4.06Å
137	A	97.1	Very high	95.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-54.1	-40.7	174	0	0	0	0	0	111.8	I133 R141 L167 E170 M174 N175	I133-A137 WeakPolarHBondContact O-CB 3.5Å; I133-A137 PolarHBondContact O-N 3.47Å; A137-R141 PolarHBondContact O-N 3.31Å; A137-R141 VanDerWaalsContact O-N 3.1Å; A137-L167 HydrophobicContact CB-CD1 4.25Å; A137-E170 HydrophobicContact CB-CB 4.49Å; A137-E170 HydrophobicContact CB-CG 3.95Å; A137-M174 HydrophobicContact CB-SD 4.01Å; A137-N175 PolarHBondContact O-ND2 2.94Å; A137-N175 VanDerWaalsContact O-ND2 3.15Å
138	G	97	Very high	96.2	Very high	4 Å²	4	41.6 Å²	41.6	4%	0.041	20%	0.2	C	C	.	.	H	α-helix	trans	-67.4	-33.5	173.1	0	0	0	0	0	114.5	S134 R135 L136 R142	S134-G138 PolarHBondContact O-N 3.38Å; S134-G138 VanDerWaalsContact O-N 3.13Å; R135-G138 CarbonylContact O-C 3.56Å; R135-G138 WeakPolarHBondContact O-CA 3.25Å; R135-G138 PolarHBondContact O-N 3.03Å; L136-G138 PolarHBondContact O-N 2.89Å; G138-R142 PolarHBondContact O-N 3.12Å
139	Q	97.3	Very high	96.4	Very high	17 Å²	17	49.8 Å²	49.8	8%	0.079	24%	0.235	C	C	.	.	H	α-helix	trans	-68.7	-46.1	173.4	-67.3	178.6	22.8	0	0	110.7	R135 L136 R141 R142 L143 V225 A269 N271	R135-Q139 WeakPolarHBondContact O-CG 3.27Å; R135-Q139 PolarHBondContact O-N 2.79Å; L136-Q139 CarbonylContact O-C 3.54Å; L136-Q139 WeakPolarHBondContact O-CA 3.31Å; L136-Q139 WeakPolarHBondContact O-CB 3.32Å; L136-Q139 PolarHBondContact O-N 2.9Å; Q139-R141 VanDerWaalsContact C-N 3.31Å; Q139-R141 PolarHBondContact O-N 3.05Å; Q139-R142 VanDerWaalsContact CG-NH2 3.34Å; Q139-R142 PolarHBondContact O-N 3.29Å; Q139-L143 WeakPolarHBondContact O-CB 3.13Å; Q139-L143 PolarHBondContact O-N 3.49Å; Q139-V225 VanDerWaalsContact NE2-CG2 3.33Å; Q139-A269 HydrophobicContact CG-CB 4.36Å; Q139-N271 HydrophobicContact CB-CB 4.3Å; Q139-N271 WeakPolarHBondContact CG-OD1 3.41Å; Q139-N271 WeakPolarHBondContact O-CB 3.22Å
140	L	97.8	Very high	96.5	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-57.7	-42	176.1	-65.9	179.6	0	0	0	112	V120 L136 R142 L143 Y144 L158	V120-L140 HydrophobicContact CB-CD2 4.36Å; V120-L140 HydrophobicContact CG1-CD2 4.06Å; V120-L140 HydrophobicContact CG2-CD2 4.17Å; L136-L140 HydrophobicContact CD1-CG 4.43Å; L136-L140 WeakPolarHBondContact O-CG 3.25Å; L136-L140 PolarHBondContact O-N 3.19Å; L140-R142 PolarHBondContact O-N 3.38Å; L140-L143 PolarHBondContact O-N 2.92Å; L140-Y144 PolarHBondContact O-N 3.49Å; L140-L158 HydrophobicContact CD1-CD1 4.29Å; L140-L158 HydrophobicContact CD1-CD2 4.43Å; L140-L158 HydrophobicContact CD2-CD2 3.85Å
141	R	97.4	Very high	96.4	Very high	103 Å²	103	47 Å²	47	39%	0.389	22%	0.221	S	C	.	.	H	α-helix	trans	-60	-43.7	173.1	178.3	177.9	62.5	178	2.7	113.1	A137 Q139 G145 M174 N175	A137-R141 PolarHBondContact O-N 3.31Å; A137-R141 VanDerWaalsContact O-N 3.1Å; Q139-R141 VanDerWaalsContact C-N 3.31Å; Q139-R141 PolarHBondContact O-N 3.05Å; R141-G145 PolarHBondContact O-N 3.42Å; R141-M174 PolarHBondContact NH1-O 3.32Å; R141-N175 HydrophobicContact CB-CB 4.46Å; R141-N175 VanDerWaalsContact CB-OD1 3.25Å; R141-N175 WeakPolarHBondContact CB-OD1 3.44Å; R141-N175 VanDerWaalsContact CD-OD1 3.22Å; R141-N175 WeakPolarHBondContact CD-OD1 3.29Å
142	R	97.5	Very high	96.5	Very high	117 Å²	117	48.2 Å²	48.2	44%	0.442	22%	0.222	S	C	.	.	H	α-helix	trans	-65.9	-45.6	179	-77.4	-173.7	-70	-89.4	-3	110.8	G138 Q139 L140 Y144 G145 S146 N271	G138-R142 PolarHBondContact O-N 3.12Å; Q139-R142 VanDerWaalsContact CG-NH2 3.34Å; Q139-R142 PolarHBondContact O-N 3.29Å; L140-R142 PolarHBondContact O-N 3.38Å; R142-Y144 PolarHBondContact O-N 2.97Å; R142-G145 CarbonylContact O-C 3.56Å; R142-G145 WeakPolarHBondContact O-CA 3.18Å; R142-G145 PolarHBondContact O-N 3.06Å; R142-G145 VanDerWaalsContact O-N 3.11Å; R142-S146 PolarHBondContact O-N 3.02Å; R142-S146 PolarHBondContact O-OG 3.09Å; R142-N271 HydrophobicContact CB-CB 4.03Å; R142-N271 PolarHBondContact NE-OD1 3.05Å
143	L	97.9	Very high	96.6	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-53.1	-54.6	175.1	-179.8	154.8	0	0	0	110.9	V120 Q139 L140 G145 S146 N147 L156 V270 N271 F274	V120-L143 HydrophobicContact CG2-CD1 4.24Å; Q139-L143 WeakPolarHBondContact O-CB 3.13Å; Q139-L143 PolarHBondContact O-N 3.49Å; L140-L143 PolarHBondContact O-N 2.92Å; L143-G145 VanDerWaalsContact C-N 3.29Å; L143-G145 PolarHBondContact O-N 2.72Å; L143-S146 PolarHBondContact O-N 3.4Å; L143-N147 PolarHBondContact O-N 3.05Å; L143-L156 HydrophobicContact CD2-CD1 3.39Å; L143-L156 HydrophobicContact CD2-CD2 3.91Å; L143-L156 HydrophobicContact CD2-CG 4.26Å; L143-V270 HydrophobicContact CD1-CG1 3.82Å; L143-N271 HydrophobicContact CB-CB 4.13Å; L143-F274 HydrophobicContact CB-CD1 4.41Å; L143-F274 HydrophobicContact CD1-CB 3.63Å; L143-F274 HydrophobicContact CD1-CD1 4.49Å; L143-F274 HydrophobicContact CD1-CD2 4.11Å; L143-F274 HydrophobicContact CD1-CG 3.82Å; L143-F274 HydrophobicContact CD2-CD2 4.32Å; L143-F274 HydrophobicContact CD2-CG 4.33Å; L143-F274 HydrophobicContact CG-CB 3.81Å; L143-F274 HydrophobicContact CG-CD1 3.74Å; L143-F274 HydrophobicContact CG-CD2 3.95Å; L143-F274 HydrophobicContact CG-CE1 4.32Å; L143-F274 HydrophobicContact CG-CG 3.52Å; L143-F274 WeakPolarHBondContact O-CE1 3.48Å
144	Y	97.8	Very high	96.7	Very high	15 Å²	15	47.7 Å²	47.7	6%	0.059	22%	0.22	C	C	.	.	H	α-helix	trans	-61.2	-39	177.3	179.6	-107.5	0	0	0	112.2	L140 R142 S146 N147 K148 L156 Y181 A182 M183	L140-Y144 PolarHBondContact O-N 3.49Å; R142-Y144 PolarHBondContact O-N 2.97Å; Y144-S146 VanDerWaalsContact C-N 3.34Å; Y144-S146 PolarHBondContact O-N 3.29Å; Y144-N147 PolarHBondContact O-N 3.27Å; Y144-K148 HydrophobicContact CE1-CD 4.28Å; Y144-K148 VanDerWaalsContact O-CB 3.26Å; Y144-K148 WeakPolarHBondContact O-CB 3.3Å; Y144-K148 PolarHBondContact O-N 2.67Å; Y144-L156 HydrophobicContact CD2-CD1 4.36Å; Y144-Y181 AromaticContact CD1-CD1 3.68Å; Y144-Y181 HydrophobicContact CD1-CD1 3.68Å; Y144-Y181 AromaticContact CD1-CD2 3.39Å; Y144-Y181 HydrophobicContact CD1-CD2 3.39Å; Y144-Y181 AromaticContact CD1-CE1 3.63Å; Y144-Y181 HydrophobicContact CD1-CE1 3.63Å; Y144-Y181 AromaticContact CD1-CE2 3.35Å; Y144-Y181 HydrophobicContact CD1-CE2 3.35Å; Y144-Y181 AromaticContact CD1-CG 3.56Å; Y144-Y181 HydrophobicContact CD1-CG 3.56Å; Y144-Y181 AromaticContact CD1-CZ 3.46Å; Y144-Y181 VanDerWaalsContact CD1-CZ 3.46Å; Y144-Y181 AromaticContact CD2-CD2 3.96Å; Y144-Y181 HydrophobicContact CD2-CD2 3.96Å; Y144-Y181 HydrophobicContact CD2-CG 4.17Å; Y144-Y181 AromaticContact CE1-CD1 3.34Å; Y144-Y181 HydrophobicContact CE1-CD1 3.34Å; Y144-Y181 AromaticContact CE1-CD2 3.85Å; Y144-Y181 HydrophobicContact CE1-CD2 3.85Å; Y144-Y181 AromaticContact CE1-CE1 3.61Å; Y144-Y181 HydrophobicContact CE1-CE1 3.61Å; Y144-Y181 HydrophobicContact CE1-CE2 4.1Å; Y144-Y181 AromaticContact CE1-CG 3.46Å; Y144-Y181 HydrophobicContact CE1-CG 3.46Å; Y144-Y181 VanDerWaalsContact CE1-CG 3.46Å; Y144-Y181 AromaticContact CE1-CZ 3.97Å; Y144-Y181 HydrophobicContact CE2-CD2 4.39Å; Y144-Y181 HydrophobicContact CE2-CG 4.12Å; Y144-Y181 HydrophobicContact CG-CD1 4.47Å; Y144-Y181 AromaticContact CG-CD2 3.43Å; Y144-Y181 HydrophobicContact CG-CD2 3.43Å; Y144-Y181 VanDerWaalsContact CG-CD2 3.43Å; Y144-Y181 AromaticContact CG-CE2 3.63Å; Y144-Y181 HydrophobicContact CG-CE2 3.63Å; Y144-Y181 AromaticContact CG-CG 3.9Å; Y144-Y181 HydrophobicContact CG-CG 3.9Å; Y144-Y181 AromaticContact CZ-CD1 3.94Å; Y144-Y181 AromaticContact CZ-CG 3.76Å; Y144-Y181 WeakPolarHBondContact OH-CA 3.35Å; Y144-A182 PolarHBondContact OH-N 2.93Å; Y144-M183 HydrophobicContact CD2-CG 3.61Å; Y144-M183 HydrophobicContact CD2-SD 3.54Å; Y144-M183 VanDerWaalsContact CD2-SD 3.54Å; Y144-M183 HydrophobicContact CE2-CG 3.89Å; Y144-M183 HydrophobicContact CE2-SD 4.38Å; Y144-M183 HydrophobicContact CG-SD 4.09Å
145	G	97.1	Very high	96.8	Very high	27 Å²	27	46.8 Å²	46.8	28%	0.278	21%	0.212	S	C	.	.	H	α-helix	trans	-61.1	-38.9	176.4	0	0	0	0	0	113.6	R141 R142 L143 K149	R141-G145 PolarHBondContact O-N 3.42Å; R142-G145 CarbonylContact O-C 3.56Å; R142-G145 WeakPolarHBondContact O-CA 3.18Å; R142-G145 PolarHBondContact O-N 3.06Å; R142-G145 VanDerWaalsContact O-N 3.11Å; L143-G145 VanDerWaalsContact C-N 3.29Å; L143-G145 PolarHBondContact O-N 2.72Å; G145-K149 WeakPolarHBondContact O-CG 3.29Å
146	S	97.6	Very high	96.9	Very high	25 Å²	25	41.7 Å²	41.7	18%	0.175	19%	0.193	C	C	.	.	H	α-helix	trans	-69.1	-47.7	172.8	-66.3	0	0	0	0	110.9	R142 L143 Y144 K148 K149 A150 D275	R142-S146 PolarHBondContact O-N 3.02Å; R142-S146 PolarHBondContact O-OG 3.09Å; L143-S146 PolarHBondContact O-N 3.4Å; Y144-S146 VanDerWaalsContact C-N 3.34Å; Y144-S146 PolarHBondContact O-N 3.29Å; S146-K148 VanDerWaalsContact C-N 3.28Å; S146-K148 PolarHBondContact O-N 3.22Å; S146-K149 PolarHBondContact O-N 3.03Å; S146-A150 PolarHBondContact O-N 3.35Å; S146-A150 VanDerWaalsContact O-N 3.17Å; S146-D275 WeakPolarHBondContact CB-OD1 3.43Å; S146-D275 PolarHBondContact OG-OD1 3.31Å
147	N	97.7	Very high	97	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-57.5	-42.1	179.5	-163.7	40.8	0	0	0	112.3	L143 Y144 K149 A150 P153 F154 L156 F274	L143-N147 PolarHBondContact O-N 3.05Å; Y144-N147 PolarHBondContact O-N 3.27Å; N147-K149 PolarHBondContact O-N 3.4Å; N147-A150 VanDerWaalsContact O-CB 3.22Å; N147-A150 WeakPolarHBondContact O-CB 3.36Å; N147-A150 PolarHBondContact O-N 3.46Å; N147-A150 VanDerWaalsContact O-N 3.15Å; N147-P153 VanDerWaalsContact OD1-CA 3.27Å; N147-P153 WeakPolarHBondContact OD1-CA 3.05Å; N147-P153 WeakPolarHBondContact OD1-CB 3.21Å; N147-F154 PolarHBondContact ND2-O 2.91Å; N147-F154 PolarHBondContact OD1-N 3.06Å; N147-L156 HydrophobicContact CB-CD1 3.84Å; N147-L156 VanDerWaalsContact ND2-CD1 3.3Å; N147-L156 WeakPolarHBondContact ND2-CD1 3.49Å; N147-L156 WeakPolarHBondContact ND2-CG 3.3Å; N147-F274 HydrophobicContact CB-CE1 3.89Å; N147-F274 HydrophobicContact CB-CZ 3.55Å; N147-F274 WeakPolarHBondContact OD1-CZ 3.35Å
148	K	96.2	Very high	97	Very high	92 Å²	92	42.7 Å²	42.7	40%	0.4	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-26.8	177.4	-179	172.5	179.4	178.8	0	113.7	T104 L108 Y144 S146	T104-K148 HydrophobicContact CG2-CD 4.17Å; T104-K148 HydrophobicContact CG2-CG 3.39Å; T104-K148 WeakPolarHBondContact CG2-O 3.34Å; L108-K148 HydrophobicContact CD1-CB 4.45Å; L108-K148 HydrophobicContact CD1-CG 4.13Å; Y144-K148 HydrophobicContact CE1-CD 4.28Å; Y144-K148 VanDerWaalsContact O-CB 3.26Å; Y144-K148 WeakPolarHBondContact O-CB 3.3Å; Y144-K148 PolarHBondContact O-N 2.67Å; S146-K148 VanDerWaalsContact C-N 3.28Å; S146-K148 PolarHBondContact O-N 3.22Å
149	K	95.3	Very high	97.1	Very high	178 Å²	178	42.5 Å²	42.5	77%	0.774	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-16.3	178.3	-68.8	172.9	-174.8	176.1	0	112.7	G145 S146 N147	G145-K149 WeakPolarHBondContact O-CG 3.29Å; S146-K149 PolarHBondContact O-N 3.03Å; N147-K149 PolarHBondContact O-N 3.4Å
150	A	94.8	Very high	97.1	Very high	5 Å²	5	43.5 Å²	43.5	4%	0.041	20%	0.201	C	C	.	.			trans	-59.3	149.3	-178.3	0	0	0	0	0	111.6	S146 N147 R152 P153 L278	S146-A150 PolarHBondContact O-N 3.35Å; S146-A150 VanDerWaalsContact O-N 3.17Å; N147-A150 VanDerWaalsContact O-CB 3.22Å; N147-A150 WeakPolarHBondContact O-CB 3.36Å; N147-A150 PolarHBondContact O-N 3.46Å; N147-A150 VanDerWaalsContact O-N 3.15Å; A150-R152 VanDerWaalsContact C-N 3.34Å; A150-P153 HydrophobicContact CB-CG 4.36Å; A150-L278 HydrophobicContact CB-CD1 3.72Å; A150-L278 HydrophobicContact CB-CD2 4Å; A150-L278 HydrophobicContact CB-CG 4.34Å
151	T	93.7	Very high	97	Very high	95 Å²	95	43.5 Å²	43.5	58%	0.583	20%	0.202	S	C	*	.	S	Bend	trans	-71.9	-37.7	170.6	-57.7	0	0	0	0	110.1	E282	T151-E282 PolarHBondContact N-OE1 3.44Å
152	R	94.4	Very high	96.9	Very high	163 Å²	163	44.7 Å²	44.7	62%	0.615	21%	0.206	S	C	*	.	S	Bend	trans	-123.9	87.8	176.2	-62.8	-179	68	110.2	2.7	109.7	A150	A150-R152 VanDerWaalsContact C-N 3.34Å
153	P	97.4	Very high	96.7	Very high	9 Å²	9	45.3 Å²	45.3	6%	0.058	21%	0.214	C	C	.	.			trans	-63.9	151.8	-179.5	-20.2	32.7	0	0	0	112.4	R107 L108 A111 N147 A150	R107-P153 HydrophobicContact CB-CG 4.16Å; L108-P153 HydrophobicContact CD2-CB 3.85Å; L108-P153 HydrophobicContact CD2-CG 4.11Å; A111-P153 HydrophobicContact CB-CB 3.94Å; A111-P153 WeakPolarHBondContact CB-O 3.39Å; N147-P153 VanDerWaalsContact OD1-CA 3.27Å; N147-P153 WeakPolarHBondContact OD1-CA 3.05Å; N147-P153 WeakPolarHBondContact OD1-CB 3.21Å; A150-P153 HydrophobicContact CB-CG 4.36Å
154	F	98.1	Very high	96.4	Very high	3 Å²	3	48.9 Å²	48.9	1%	0.013	23%	0.233	C	C	.	.			trans	-75.3	151.1	164.6	-80	-112.2	0	0	0	110.6	R116 L118 N147 L156 V213 F274 L277 L278 S281	R116-F154 HydrophobicContact CB-CD1 3.65Å; R116-F154 HydrophobicContact CB-CE1 3.55Å; R116-F154 HydrophobicContact CB-CG 4.29Å; R116-F154 HydrophobicContact CB-CZ 4.09Å; R116-F154 CarbonylContact O-C 3.47Å; R116-F154 VanDerWaalsContact O-CA 3.28Å; R116-F154 WeakPolarHBondContact O-CA 3.46Å; R116-F154 WeakPolarHBondContact O-CB 3.34Å; R116-F154 VanDerWaalsContact O-CD1 3.3Å; R116-F154 WeakPolarHBondContact O-CD1 3.38Å; L118-F154 HydrophobicContact CB-CD1 3.73Å; L118-F154 HydrophobicContact CB-CE1 4.36Å; L118-F154 HydrophobicContact CD1-CD1 4.44Å; L118-F154 HydrophobicContact CD1-CE1 4.46Å; N147-F154 PolarHBondContact ND2-O 2.91Å; N147-F154 PolarHBondContact OD1-N 3.06Å; F154-L156 HydrophobicContact CB-CD2 3.91Å; F154-L156 HydrophobicContact CB-CG 4.44Å; F154-L156 PolarHBondContact O-N 2.95Å; F154-V213 HydrophobicContact CE1-CG1 4.4Å; F154-V213 HydrophobicContact CZ-CG1 4.21Å; F154-F274 HydrophobicContact CB-CE2 4.1Å; F154-F274 HydrophobicContact CD2-CE2 4.05Å; F154-F274 HydrophobicContact CD2-CZ 4.32Å; F154-F274 HydrophobicContact CG-CE2 4.02Å; F154-L277 HydrophobicContact CZ-CB 4.47Å; F154-L278 HydrophobicContact CD2-CD1 3.81Å; F154-L278 HydrophobicContact CE2-CD1 3.83Å; F154-S281 VanDerWaalsContact CZ-OG 3.25Å; F154-S281 WeakPolarHBondContact CZ-OG 3.35Å
155	H	97.9	Very high	96.3	Very high	16 Å²	16	49 Å²	49	7%	0.074	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	110.5	159.5	-165.2	177.1	0	0	0	108.6	A111 R112 R116 K117 L118 F157 E184	A111-H155 WeakPolarHBondContact O-CB 3.45Å; R112-H155 PolarHBondContact O-CE1 3.39Å; R112-H155 PolarHBondContact O-ND1 2.82Å; R116-H155 PolarHBondContact O-N 3.03Å; K117-H155 WeakPolarHBondContact CA-O 3.4Å; K117-H155 HydrophobicContact CG-CB 4.35Å; L118-H155 PolarHBondContact N-O 3.42Å; H155-F157 HydrophobicContact CB-CE2 4.11Å; H155-F157 AromaticContact CD2-CE2 3.78Å; H155-F157 AromaticContact CD2-CZ 3.92Å; H155-F157 AromaticContact CE1-CE2 3.9Å; H155-F157 AromaticContact CE1-CZ 3.36Å; H155-F157 WeakPolarHBondContact CE1-CZ 3.22Å; H155-F157 AromaticContact CG-CE2 3.55Å; H155-F157 AromaticContact CG-CZ 3.84Å; H155-F157 AromaticContact ND1-CE2 3.63Å; H155-F157 AromaticContact ND1-CZ 3.48Å; H155-F157 WeakPolarHBondContact ND1-CZ 3.27Å; H155-F157 AromaticContact NE2-CZ 3.67Å; H155-E184 VanDerWaalsContact NE2-CG 3.34Å; H155-E184 WeakPolarHBondContact NE2-CG 3.45Å; H155-E184 IonicContact NE2-OE1 3.56Å; H155-E184 PolarHBondContact NE2-OE1 3.4Å
156	L	98.2	Very high	96.3	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.016	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	136	-175.4	-62.3	176.9	0	0	0	111.5	L118 L143 Y144 N147 F154 M183 E184 F274	L118-L156 HydrophobicContact CB-CD2 4.17Å; L118-L156 HydrophobicContact CD2-CD2 3.8Å; L118-L156 WeakPolarHBondContact O-CA 3.43Å; L143-L156 HydrophobicContact CD2-CD1 3.39Å; L143-L156 HydrophobicContact CD2-CD2 3.91Å; L143-L156 HydrophobicContact CD2-CG 4.26Å; Y144-L156 HydrophobicContact CD2-CD1 4.36Å; N147-L156 HydrophobicContact CB-CD1 3.84Å; N147-L156 VanDerWaalsContact ND2-CD1 3.3Å; N147-L156 WeakPolarHBondContact ND2-CD1 3.49Å; N147-L156 WeakPolarHBondContact ND2-CG 3.3Å; F154-L156 HydrophobicContact CB-CD2 3.91Å; F154-L156 HydrophobicContact CB-CG 4.44Å; F154-L156 PolarHBondContact O-N 2.95Å; L156-M183 HydrophobicContact CB-CB 4.11Å; L156-M183 HydrophobicContact CB-CG 3.83Å; L156-M183 HydrophobicContact CB-SD 4.08Å; L156-M183 HydrophobicContact CD1-CG 4.05Å; L156-M183 HydrophobicContact CD1-SD 3.74Å; L156-M183 WeakPolarHBondContact O-CA 3.49Å; L156-E184 PolarHBondContact O-N 3.36Å; L156-F274 HydrophobicContact CD2-CD2 4.33Å; L156-F274 HydrophobicContact CD2-CE2 3.76Å; L156-F274 HydrophobicContact CD2-CZ 4.44Å
157	F	98.5	Very high	96.2	Very high	18 Å²	18	51.3 Å²	51.3	8%	0.079	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	133.2	173.6	-61.5	-101.5	0	0	0	109.6	K117 L118 C119 V120 H155 T159 E184 L193 F194	K117-F157 HydrophobicContact CB-CE2 4.3Å; K117-F157 HydrophobicContact CG-CE2 4.21Å; L118-F157 PolarHBondContact O-N 3.33Å; C119-F157 CarbonylContact C-O 3.57Å; C119-F157 WeakPolarHBondContact CA-O 3.31Å; C119-F157 HydrophobicContact CB-CB 4.23Å; V120-F157 PolarHBondContact N-O 2.85Å; H155-F157 HydrophobicContact CB-CE2 4.11Å; H155-F157 AromaticContact CD2-CE2 3.78Å; H155-F157 AromaticContact CD2-CZ 3.92Å; H155-F157 AromaticContact CE1-CE2 3.9Å; H155-F157 AromaticContact CE1-CZ 3.36Å; H155-F157 WeakPolarHBondContact CE1-CZ 3.22Å; H155-F157 AromaticContact CG-CE2 3.55Å; H155-F157 AromaticContact CG-CZ 3.84Å; H155-F157 AromaticContact ND1-CE2 3.63Å; H155-F157 AromaticContact ND1-CZ 3.48Å; H155-F157 WeakPolarHBondContact ND1-CZ 3.27Å; H155-F157 AromaticContact NE2-CZ 3.67Å; F157-T159 HydrophobicContact CB-CG2 4.12Å; F157-E184 CarbonylContact C-O 3.56Å; F157-E184 WeakPolarHBondContact CA-O 3.49Å; F157-E184 HydrophobicContact CD1-CB 3.49Å; F157-E184 VanDerWaalsContact CD1-CB 3.49Å; F157-E184 HydrophobicContact CD1-CG 3.84Å; F157-E184 HydrophobicContact CE1-CB 3.75Å; F157-E184 HydrophobicContact CE1-CG 3.54Å; F157-E184 HydrophobicContact CG-CB 4.22Å; F157-E184 HydrophobicContact CZ-CG 4.1Å; F157-L193 HydrophobicContact CD1-CD1 4.07Å; F157-F194 HydrophobicContact CD1-CE2 4.36Å; F157-F194 HydrophobicContact CD1-CZ 4.2Å; F157-F194 HydrophobicContact CD2-CE2 4.45Å; F157-F194 HydrophobicContact CD2-CZ 4.25Å; F157-F194 HydrophobicContact CE1-CE2 4.36Å; F157-F194 AromaticContact CE1-CZ 3.76Å; F157-F194 HydrophobicContact CE1-CZ 3.76Å; F157-F194 HydrophobicContact CE2-CE2 4.47Å; F157-F194 AromaticContact CE2-CZ 3.83Å; F157-F194 HydrophobicContact CE2-CZ 3.83Å; F157-F194 HydrophobicContact CG-CE2 4.43Å; F157-F194 HydrophobicContact CG-CZ 4.45Å; F157-F194 HydrophobicContact CZ-CE1 4.46Å; F157-F194 HydrophobicContact CZ-CE2 4.44Å; F157-F194 AromaticContact CZ-CZ 3.58Å; F157-F194 HydrophobicContact CZ-CZ 3.58Å
158	L	98.1	Very high	96.2	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	101.9	163	-58.7	-171.2	0	0	0	106.5	V120 L122 L140 L161 F178 M183 E184 I185 T186	V120-L158 HydrophobicContact CB-CD2 3.91Å; V120-L158 HydrophobicContact CG2-CD2 4.09Å; L122-L158 HydrophobicContact CD1-CB 3.91Å; L122-L158 HydrophobicContact CD1-CD2 4.35Å; L122-L158 HydrophobicContact CD1-CG 4.49Å; L140-L158 HydrophobicContact CD1-CD1 4.29Å; L140-L158 HydrophobicContact CD1-CD2 4.43Å; L140-L158 HydrophobicContact CD2-CD2 3.85Å; L158-L161 HydrophobicContact CB-CD2 4.08Å; L158-L161 HydrophobicContact CD1-CD2 3.9Å; L158-F178 HydrophobicContact CD1-CE2 4.18Å; L158-F178 HydrophobicContact CD1-CZ 3.98Å; L158-M183 HydrophobicContact CD1-CE 3.58Å; L158-M183 HydrophobicContact CD2-CE 4.49Å; L158-M183 HydrophobicContact CG-CE 3.95Å; L158-E184 PolarHBondContact N-O 2.93Å; L158-I185 HydrophobicContact CB-CG1 4.38Å; L158-I185 HydrophobicContact CD1-CG1 4.25Å; L158-T186 PolarHBondContact O-N 3.45Å
159	T	97.8	Very high	96.2	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	159	-177.8	66.6	0	0	0	0	110.2	C119 V120 L122 F157 L161 T186 E188 C190 L193	C119-T159 HydrophobicContact CB-CG2 4.18Å; V120-T159 PolarHBondContact O-N 3.4Å; V120-T159 VanDerWaalsContact O-N 3.16Å; V120-T159 PolarHBondContact O-OG1 3.2Å; L122-T159 VanDerWaalsContact CB-O 3.27Å; L122-T159 WeakPolarHBondContact CB-O 3.37Å; L122-T159 PolarHBondContact N-O 3.22Å; F157-T159 HydrophobicContact CB-CG2 4.12Å; T159-L161 PolarHBondContact O-N 3.27Å; T159-T186 CarbonylContact C-O 3.58Å; T159-T186 HydrophobicContact CG2-CG2 4.39Å; T159-E188 VanDerWaalsContact CB-O 3.32Å; T159-E188 WeakPolarHBondContact CB-O 3.39Å; T159-C190 HydrophobicContact CG2-CB 4.37Å; T159-L193 HydrophobicContact CG2-CD1 3.92Å
160	D	97	Very high	96.3	Very high	38 Å²	38	48.8 Å²	48.8	20%	0.203	22%	0.217	C	C	.	.	S	Bend	trans	55.2	30.7	-178.2	-56.3	-100	0	0	0	113.1	T186 E188 S189	D160-T186 PolarHBondContact N-O 3.49Å; D160-E188 PolarHBondContact N-O 3.24Å; D160-S189 WeakPolarHBondContact OD2-CA 3.47Å
161	L	96.6	Very high	96.4	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.016	22%	0.215	C	C	.	.			trans	-106.7	95	-179.1	-175.4	56.1	0	0	0	111.6	L122 L158 T159 L167 Y168 F178 I185 T186	L122-L161 HydrophobicContact CD1-CB 3.81Å; L122-L161 HydrophobicContact CD1-CD1 4.05Å; L122-L161 HydrophobicContact CD1-CD2 3.81Å; L122-L161 HydrophobicContact CD1-CG 4.09Å; L158-L161 HydrophobicContact CB-CD2 4.08Å; L158-L161 HydrophobicContact CD1-CD2 3.9Å; T159-L161 PolarHBondContact O-N 3.27Å; L161-L167 HydrophobicContact CD1-CB 4.29Å; L161-L167 HydrophobicContact CD1-CD2 4.12Å; L161-L167 HydrophobicContact CD1-CG 4.25Å; L161-Y168 HydrophobicContact CD2-CD2 4.1Å; L161-Y168 HydrophobicContact CG-CD2 4.09Å; L161-F178 HydrophobicContact CD2-CZ 4.41Å; L161-I185 HydrophobicContact CB-CG2 4.26Å; L161-I185 HydrophobicContact CD2-CG2 3.89Å; L161-I185 HydrophobicContact CG-CG2 4.21Å; L161-T186 PolarHBondContact N-O 2.86Å
162	R	94.6	Very high	96.5	Very high	127 Å²	127	47 Å²	47	48%	0.479	21%	0.205	S	C	.	.			trans	-74	138.6	175.2	-57.2	173.6	56.9	-143.7	-11	111.8	D164 S165 Y168 E187	R162-D164 VanDerWaalsContact CB-OD1 3.3Å; R162-D164 WeakPolarHBondContact CB-OD1 3.3Å; R162-D164 IonicContact CZ-OD1 2.71Å; R162-D164 IonicContact CZ-OD2 3.18Å; R162-D164 IonicContact NE-OD1 2.74Å; R162-D164 PolarHBondContact NE-OD1 2.79Å; R162-D164 IonicContact NH1-OD1 3.14Å; R162-D164 IonicContact NH2-OD1 3.45Å; R162-D164 PolarHBondContact NH2-OD1 3.14Å; R162-D164 IonicContact NH2-OD2 2.54Å; R162-D164 PolarHBondContact NH2-OD2 2.7Å; R162-D164 PolarHBondContact O-N 2.77Å; R162-S165 WeakPolarHBondContact O-CB 3.46Å; R162-S165 PolarHBondContact O-N 3.44Å; R162-S165 PolarHBondContact O-OG 3.35Å; R162-Y168 VanDerWaalsContact O-CB 3.25Å; R162-Y168 WeakPolarHBondContact O-CB 3.48Å; R162-E187 WeakPolarHBondContact CA-OE1 3.45Å; R162-E187 HydrophobicContact CB-CG 4.5Å; R162-E187 HydrophobicContact CG-CB 4.38Å; R162-E187 HydrophobicContact CG-CG 4.15Å
163	E	93.3	Very high	96.5	Very high	131 Å²	131	47 Å²	47	61%	0.612	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-28.4	-179	-66.9	-166.9	168.6	0	0	112.8	S165 Y168	E163-S165 VanDerWaalsContact C-N 3.32Å; E163-Y168 HydrophobicContact CB-CD1 4.28Å; E163-Y168 HydrophobicContact CB-CE1 4.1Å; E163-Y168 HydrophobicContact CG-CE1 4.33Å; E163-Y168 HydrophobicContact CG-CE2 4.16Å; E163-Y168 WeakPolarHBondContact O-CD1 3.47Å
164	D	92.8	Very high	96.2	Very high	76 Å²	76	49.2 Å²	49.2	41%	0.406	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-6.4	177.4	72.3	-26	0	0	0	113.5	R162 R169	R162-D164 VanDerWaalsContact CB-OD1 3.3Å; R162-D164 WeakPolarHBondContact CB-OD1 3.3Å; R162-D164 IonicContact CZ-OD1 2.71Å; R162-D164 IonicContact CZ-OD2 3.18Å; R162-D164 IonicContact NE-OD1 2.74Å; R162-D164 PolarHBondContact NE-OD1 2.79Å; R162-D164 IonicContact NH1-OD1 3.14Å; R162-D164 IonicContact NH2-OD1 3.45Å; R162-D164 PolarHBondContact NH2-OD1 3.14Å; R162-D164 IonicContact NH2-OD2 2.54Å; R162-D164 PolarHBondContact NH2-OD2 2.7Å; R162-D164 PolarHBondContact O-N 2.77Å; D164-R169 VanDerWaalsContact O-CZ 3.26Å; D164-R169 PolarHBondContact O-NE 3.01Å; D164-R169 VanDerWaalsContact O-NE 3.11Å; D164-R169 PolarHBondContact O-NH2 3.11Å
165	S	95.4	Very high	95.8	Very high	17 Å²	17	49.1 Å²	49.1	12%	0.119	22%	0.215	C	C	.	.	S	Bend	trans	-66.3	155.2	-176.6	71.8	0	0	0	0	113.1	R162 E163 L167 Y168 R169	R162-S165 WeakPolarHBondContact O-CB 3.46Å; R162-S165 PolarHBondContact O-N 3.44Å; R162-S165 PolarHBondContact O-OG 3.35Å; E163-S165 VanDerWaalsContact C-N 3.32Å; S165-L167 VanDerWaalsContact C-N 3.27Å; S165-L167 PolarHBondContact O-N 3.5Å; S165-Y168 PolarHBondContact O-N 2.93Å; S165-Y168 VanDerWaalsContact OG-CB 3.31Å; S165-Y168 WeakPolarHBondContact OG-CB 3.5Å; S165-Y168 PolarHBondContact OG-N 3.25Å; S165-Y168 VanDerWaalsContact OG-N 3.08Å; S165-R169 WeakPolarHBondContact O-CG 3.18Å; S165-R169 PolarHBondContact O-N 2.82Å
166	R	96.2	Very high	95.3	Very high	101 Å²	101	56 Å²	56	38%	0.381	25%	0.252	S	S	.	.	H	α-helix	trans	-58.1	-40.8	174.4	-70.3	-175.6	-69.5	160.2	-1.9	111.7	D126 M128 D130 I133 E170	D126-R166 PolarHBondContact O-NH2 3.25Å; M128-R166 PolarHBondContact O-NH1 3.41Å; D130-R166 IonicContact OD1-NH1 3.69Å; I133-R166 HydrophobicContact CD1-CB 3.76Å; R166-E170 WeakPolarHBondContact O-CB 3.25Å; R166-E170 PolarHBondContact O-N 3.06Å; R166-E170 VanDerWaalsContact O-N 3.1Å
167	L	96.9	Very high	94.9	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-67.5	-42.5	179.7	178.5	65	0	0	0	112.4	L122 T125 I133 L136 A137 L161 S165 E170 C171	L122-L167 HydrophobicContact CB-CD2 4.28Å; L122-L167 HydrophobicContact CD1-CD2 3.84Å; L122-L167 HydrophobicContact CD2-CD2 3.59Å; L122-L167 HydrophobicContact CG-CD2 4.11Å; T125-L167 HydrophobicContact CG2-CD2 3.58Å; I133-L167 HydrophobicContact CG2-CB 4.14Å; I133-L167 HydrophobicContact CG2-CD1 3.83Å; L136-L167 HydrophobicContact CB-CD1 4.29Å; L136-L167 HydrophobicContact CD2-CD1 4.06Å; L136-L167 HydrophobicContact CD2-CD2 3.79Å; L136-L167 HydrophobicContact CG-CD1 4.16Å; L136-L167 HydrophobicContact CG-CD2 4.47Å; A137-L167 HydrophobicContact CB-CD1 4.25Å; L161-L167 HydrophobicContact CD1-CB 4.29Å; L161-L167 HydrophobicContact CD1-CD2 4.12Å; L161-L167 HydrophobicContact CD1-CG 4.25Å; S165-L167 VanDerWaalsContact C-N 3.27Å; S165-L167 PolarHBondContact O-N 3.5Å; L167-E170 PolarHBondContact O-N 2.88Å; L167-C171 WeakPolarHBondContact O-CB 3.45Å; L167-C171 PolarHBondContact O-N 2.87Å; L167-C171 PolarHBondContact O-SG 3.48Å
168	Y	96.9	Very high	94.7	Very high	30 Å²	30	57.7 Å²	57.7	12%	0.118	28%	0.275	C	S	.	.	H	α-helix	trans	-61	-49.2	179.8	-177	-91.2	0	0	0	111.2	L161 R162 E163 S165 E170 C171 V172 F178 L179 I185	L161-Y168 HydrophobicContact CD2-CD2 4.1Å; L161-Y168 HydrophobicContact CG-CD2 4.09Å; R162-Y168 VanDerWaalsContact O-CB 3.25Å; R162-Y168 WeakPolarHBondContact O-CB 3.48Å; E163-Y168 HydrophobicContact CB-CD1 4.28Å; E163-Y168 HydrophobicContact CB-CE1 4.1Å; E163-Y168 HydrophobicContact CG-CE1 4.33Å; E163-Y168 HydrophobicContact CG-CE2 4.16Å; E163-Y168 WeakPolarHBondContact O-CD1 3.47Å; S165-Y168 PolarHBondContact O-N 2.93Å; S165-Y168 VanDerWaalsContact OG-CB 3.31Å; S165-Y168 WeakPolarHBondContact OG-CB 3.5Å; S165-Y168 PolarHBondContact OG-N 3.25Å; S165-Y168 VanDerWaalsContact OG-N 3.08Å; Y168-E170 VanDerWaalsContact C-N 3.27Å; Y168-E170 PolarHBondContact O-N 3.08Å; Y168-C171 WeakPolarHBondContact O-CB 3.47Å; Y168-C171 PolarHBondContact O-N 2.92Å; Y168-C171 VanDerWaalsContact O-N 3.1Å; Y168-V172 HydrophobicContact CD1-CG2 4.07Å; Y168-V172 HydrophobicContact CE1-CG2 3.76Å; Y168-V172 WeakPolarHBondContact O-CG2 3.39Å; Y168-V172 PolarHBondContact O-N 3.15Å; Y168-F178 HydrophobicContact CD2-CE1 4.14Å; Y168-F178 AromaticContact CE2-CE1 4Å; Y168-F178 HydrophobicContact CE2-CE1 4Å; Y168-L179 VanDerWaalsContact OH-CD2 3.29Å; Y168-L179 WeakPolarHBondContact OH-CD2 3.32Å; Y168-I185 HydrophobicContact CE2-CG2 4.49Å
169	R	96.4	Very high	94.5	Very high	162 Å²	162	63.8 Å²	63.8	61%	0.611	31%	0.307	S	S	*	.	H	α-helix	trans	-56.8	-42.8	176.1	-64.3	177.1	-163	-177.4	5.1	111.6	D164 S165 V172 R173	D164-R169 VanDerWaalsContact O-CZ 3.26Å; D164-R169 PolarHBondContact O-NE 3.01Å; D164-R169 VanDerWaalsContact O-NE 3.11Å; D164-R169 PolarHBondContact O-NH2 3.11Å; S165-R169 WeakPolarHBondContact O-CG 3.18Å; S165-R169 PolarHBondContact O-N 2.82Å; R169-V172 PolarHBondContact O-N 3.17Å; R169-R173 VanDerWaalsContact O-CB 3.3Å; R169-R173 WeakPolarHBondContact O-CB 3.4Å; R169-R173 PolarHBondContact O-N 3.27Å
170	E	96.7	Very high	94.2	Very high	25 Å²	25	66.8 Å²	66.8	12%	0.117	34%	0.338	C	S	.	.	H	α-helix	trans	-67.1	-37.7	178.2	-172	61	-165.8	0	0	112.3	I133 S134 A137 R166 L167 Y168 R173 M174	I133-E170 HydrophobicContact CG2-CB 3.86Å; I133-E170 HydrophobicContact CG2-CG 4.03Å; S134-E170 PolarHBondContact OG-OE1 3.31Å; A137-E170 HydrophobicContact CB-CB 4.49Å; A137-E170 HydrophobicContact CB-CG 3.95Å; R166-E170 WeakPolarHBondContact O-CB 3.25Å; R166-E170 PolarHBondContact O-N 3.06Å; R166-E170 VanDerWaalsContact O-N 3.1Å; L167-E170 PolarHBondContact O-N 2.88Å; Y168-E170 VanDerWaalsContact C-N 3.27Å; Y168-E170 PolarHBondContact O-N 3.08Å; E170-R173 VanDerWaalsContact CD-NH2 3.29Å; E170-R173 PolarHBondContact O-N 2.99Å; E170-R173 IonicContact OE1-CZ 2.7Å; E170-R173 IonicContact OE1-NE 3.02Å; E170-R173 PolarHBondContact OE1-NE 2.89Å; E170-R173 IonicContact OE1-NH2 3.32Å; E170-R173 PolarHBondContact OE1-NH2 3.44Å; E170-R173 IonicContact OE2-CZ 3.5Å; E170-R173 IonicContact OE2-NE 2.72Å; E170-R173 PolarHBondContact OE2-NE 3.28Å; E170-R173 IonicContact OE2-NH2 3.4Å; E170-R173 PolarHBondContact OE2-NH2 3.01Å; E170-M174 HydrophobicContact CG-CG 4.19Å; E170-M174 HydrophobicContact CG-SD 4.05Å; E170-M174 VanDerWaalsContact O-CB 3.31Å; E170-M174 WeakPolarHBondContact O-CB 3.49Å; E170-M174 WeakPolarHBondContact O-CG 2.91Å; E170-M174 PolarHBondContact O-N 3.32Å; E170-M174 WeakPolarHBondContact OE1-CG 3.07Å
171	C	96.8	Very high	94.1	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-62.6	-47.5	173.8	-71.8	0	0	0	0	111.6	L167 Y168 R173 M174 N175 F178	L167-C171 WeakPolarHBondContact O-CB 3.45Å; L167-C171 PolarHBondContact O-N 2.87Å; L167-C171 PolarHBondContact O-SG 3.48Å; Y168-C171 WeakPolarHBondContact O-CB 3.47Å; Y168-C171 PolarHBondContact O-N 2.92Å; Y168-C171 VanDerWaalsContact O-N 3.1Å; C171-R173 VanDerWaalsContact C-N 3.31Å; C171-R173 PolarHBondContact O-N 2.93Å; C171-M174 PolarHBondContact O-N 3.47Å; C171-N175 WeakPolarHBondContact O-CB 3.1Å; C171-N175 PolarHBondContact O-N 2.96Å; C171-N175 PolarHBondContact O-ND2 3.02Å; C171-F178 HydrophobicContact CB-CD1 3.97Å; C171-F178 HydrophobicContact CB-CD2 3.99Å; C171-F178 HydrophobicContact CB-CE1 3.7Å; C171-F178 HydrophobicContact CB-CE2 3.72Å; C171-F178 HydrophobicContact CB-CG 4.11Å; C171-F178 HydrophobicContact CB-CZ 3.57Å
172	V	96.4	Very high	94.1	Very high	62 Å²	62	68.4 Å²	68.4	38%	0.376	35%	0.349	S	S	.	.	H	α-helix	trans	-59.5	-43.2	175.7	174.5	0	0	0	0	110.9	Y168 R169 F178 L179	Y168-V172 HydrophobicContact CD1-CG2 4.07Å; Y168-V172 HydrophobicContact CE1-CG2 3.76Å; Y168-V172 WeakPolarHBondContact O-CG2 3.39Å; Y168-V172 PolarHBondContact O-N 3.15Å; R169-V172 PolarHBondContact O-N 3.17Å; V172-F178 HydrophobicContact CG2-CD1 3.88Å; V172-L179 HydrophobicContact CG2-CD2 4.26Å
173	R	94.5	Very high	94.1	Very high	163 Å²	163	63.1 Å²	63.1	62%	0.615	33%	0.33	S	S	*	.	H	α-helix	trans	-67.7	-41	-179.3	-170.5	-173	74.1	83.6	-7.8	113.5	R169 E170 C171	R169-R173 VanDerWaalsContact O-CB 3.3Å; R169-R173 WeakPolarHBondContact O-CB 3.4Å; R169-R173 PolarHBondContact O-N 3.27Å; E170-R173 VanDerWaalsContact CD-NH2 3.29Å; E170-R173 PolarHBondContact O-N 2.99Å; E170-R173 IonicContact OE1-CZ 2.7Å; E170-R173 IonicContact OE1-NE 3.02Å; E170-R173 PolarHBondContact OE1-NE 2.89Å; E170-R173 IonicContact OE1-NH2 3.32Å; E170-R173 PolarHBondContact OE1-NH2 3.44Å; E170-R173 IonicContact OE2-CZ 3.5Å; E170-R173 IonicContact OE2-NE 2.72Å; E170-R173 PolarHBondContact OE2-NE 3.28Å; E170-R173 IonicContact OE2-NH2 3.4Å; E170-R173 PolarHBondContact OE2-NH2 3.01Å; C171-R173 VanDerWaalsContact C-N 3.31Å; C171-R173 PolarHBondContact O-N 2.93Å
174	M	90.9	Very high	94.2	Very high	56 Å²	56	59.6 Å²	59.6	28%	0.276	31%	0.314	S	S	.	.	H	α-helix	trans	-89.5	-24.4	-172.9	-70.8	-163.8	81.3	0	0	114.3	S134 A137 R141 E170 C171	S134-M174 VanDerWaalsContact O-SD 3.34Å; A137-M174 HydrophobicContact CB-SD 4.01Å; R141-M174 PolarHBondContact NH1-O 3.32Å; E170-M174 HydrophobicContact CG-CG 4.19Å; E170-M174 HydrophobicContact CG-SD 4.05Å; E170-M174 VanDerWaalsContact O-CB 3.31Å; E170-M174 WeakPolarHBondContact O-CB 3.49Å; E170-M174 WeakPolarHBondContact O-CG 2.91Å; E170-M174 PolarHBondContact O-N 3.32Å; E170-M174 WeakPolarHBondContact OE1-CG 3.07Å; C171-M174 PolarHBondContact O-N 3.47Å
175	N	90.6	Very high	94.4	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	31%	0.309	C	S	.	.	S	Bend	trans	-118.7	94.1	-166.2	-52.7	-33.5	0	0	0	109.7	A137 R141 C171 G177 F178	A137-N175 PolarHBondContact O-ND2 2.94Å; A137-N175 VanDerWaalsContact O-ND2 3.15Å; R141-N175 HydrophobicContact CB-CB 4.46Å; R141-N175 VanDerWaalsContact CB-OD1 3.25Å; R141-N175 WeakPolarHBondContact CB-OD1 3.44Å; R141-N175 VanDerWaalsContact CD-OD1 3.22Å; R141-N175 WeakPolarHBondContact CD-OD1 3.29Å; C171-N175 WeakPolarHBondContact O-CB 3.1Å; C171-N175 PolarHBondContact O-N 2.96Å; C171-N175 PolarHBondContact O-ND2 3.02Å; N175-G177 PolarHBondContact O-N 2.95Å; N175-G177 VanDerWaalsContact O-N 3.12Å; N175-F178 HydrophobicContact CB-CB 4.13Å; N175-F178 HydrophobicContact CB-CD2 4.37Å; N175-F178 VanDerWaalsContact O-CB 3.31Å; N175-F178 WeakPolarHBondContact O-CB 3.4Å; N175-F178 PolarHBondContact O-N 3.34Å
176	D	87.8	Confident	94.5	Very high	159 Å²	159	59.4 Å²	59.4	85%	0.85	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	119.9	177.4	-62.9	-23	0	0	0	111.1
177	G	89.3	Confident	94.5	Very high	55 Å²	55	60 Å²	60	57%	0.567	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	22.8	-179.3	0	0	0	0	0	114.7	N175 L179 G180 Y181	N175-G177 PolarHBondContact O-N 2.95Å; N175-G177 VanDerWaalsContact O-N 3.12Å; G177-L179 PolarHBondContact O-N 3.11Å; G177-G180 CarbonylContact O-C 3.55Å; G177-G180 WeakPolarHBondContact O-CA 3.34Å; G177-G180 PolarHBondContact O-N 3.45Å; G177-Y181 WeakPolarHBondContact O-CD1 3.39Å; G177-Y181 PolarHBondContact O-N 2.88Å
178	F	94.8	Very high	94.6	Very high	3 Å²	3	64.6 Å²	64.6	1%	0.013	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-48.4	-44.8	173.5	-177	-111.8	0	0	0	112.8	L158 L161 Y168 C171 V172 N175 G180 Y181 M183 I185	L158-F178 HydrophobicContact CD1-CE2 4.18Å; L158-F178 HydrophobicContact CD1-CZ 3.98Å; L161-F178 HydrophobicContact CD2-CZ 4.41Å; Y168-F178 HydrophobicContact CD2-CE1 4.14Å; Y168-F178 AromaticContact CE2-CE1 4Å; Y168-F178 HydrophobicContact CE2-CE1 4Å; C171-F178 HydrophobicContact CB-CD1 3.97Å; C171-F178 HydrophobicContact CB-CD2 3.99Å; C171-F178 HydrophobicContact CB-CE1 3.7Å; C171-F178 HydrophobicContact CB-CE2 3.72Å; C171-F178 HydrophobicContact CB-CG 4.11Å; C171-F178 HydrophobicContact CB-CZ 3.57Å; V172-F178 HydrophobicContact CG2-CD1 3.88Å; N175-F178 HydrophobicContact CB-CB 4.13Å; N175-F178 HydrophobicContact CB-CD2 4.37Å; N175-F178 VanDerWaalsContact O-CB 3.31Å; N175-F178 WeakPolarHBondContact O-CB 3.4Å; N175-F178 PolarHBondContact O-N 3.34Å; F178-G180 PolarHBondContact O-N 3.19Å; F178-G180 VanDerWaalsContact O-N 3.09Å; F178-Y181 AromaticContact CD2-CD2 3.92Å; F178-Y181 HydrophobicContact CD2-CD2 3.92Å; F178-Y181 AromaticContact CD2-CE2 3.99Å; F178-Y181 HydrophobicContact CD2-CE2 3.99Å; F178-Y181 HydrophobicContact CD2-CG 4.47Å; F178-Y181 HydrophobicContact CE2-CD2 4.36Å; F178-Y181 VanDerWaalsContact O-CB 3.28Å; F178-Y181 WeakPolarHBondContact O-CB 3.4Å; F178-Y181 PolarHBondContact O-N 3.2Å; F178-M183 HydrophobicContact CE2-CE 4.31Å; F178-I185 HydrophobicContact CE1-CD1 3.8Å; F178-I185 HydrophobicContact CZ-CD1 3.76Å
179	L	92.2	Very high	94.5	Very high	129 Å²	129	64.1 Å²	64.1	68%	0.675	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-61.2	-19.1	176.6	-57.8	178.7	0	0	0	113.7	Y168 V172 G177	Y168-L179 VanDerWaalsContact OH-CD2 3.29Å; Y168-L179 WeakPolarHBondContact OH-CD2 3.32Å; V172-L179 HydrophobicContact CG2-CD2 4.26Å; G177-L179 PolarHBondContact O-N 3.11Å
180	G	92.8	Very high	94.4	Very high	64 Å²	64	56.8 Å²	56.8	66%	0.66	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-100.6	11.8	176.3	0	0	0	0	0	113.6	G177 F178	G177-G180 CarbonylContact O-C 3.55Å; G177-G180 WeakPolarHBondContact O-CA 3.34Å; G177-G180 PolarHBondContact O-N 3.45Å; F178-G180 PolarHBondContact O-N 3.19Å; F178-G180 VanDerWaalsContact O-N 3.09Å
181	Y	95.1	Very high	94.4	Very high	38 Å²	38	58 Å²	58	15%	0.149	32%	0.322	C	S	.	.			trans	-70.4	135	174.9	-76.8	15.1	0	0	0	109.6	Y144 G177 F178 M183	Y144-Y181 AromaticContact CD1-CD1 3.68Å; Y144-Y181 HydrophobicContact CD1-CD1 3.68Å; Y144-Y181 AromaticContact CD1-CD2 3.39Å; Y144-Y181 HydrophobicContact CD1-CD2 3.39Å; Y144-Y181 AromaticContact CD1-CE1 3.63Å; Y144-Y181 HydrophobicContact CD1-CE1 3.63Å; Y144-Y181 AromaticContact CD1-CE2 3.35Å; Y144-Y181 HydrophobicContact CD1-CE2 3.35Å; Y144-Y181 AromaticContact CD1-CG 3.56Å; Y144-Y181 HydrophobicContact CD1-CG 3.56Å; Y144-Y181 AromaticContact CD1-CZ 3.46Å; Y144-Y181 VanDerWaalsContact CD1-CZ 3.46Å; Y144-Y181 AromaticContact CD2-CD2 3.96Å; Y144-Y181 HydrophobicContact CD2-CD2 3.96Å; Y144-Y181 HydrophobicContact CD2-CG 4.17Å; Y144-Y181 AromaticContact CE1-CD1 3.34Å; Y144-Y181 HydrophobicContact CE1-CD1 3.34Å; Y144-Y181 AromaticContact CE1-CD2 3.85Å; Y144-Y181 HydrophobicContact CE1-CD2 3.85Å; Y144-Y181 AromaticContact CE1-CE1 3.61Å; Y144-Y181 HydrophobicContact CE1-CE1 3.61Å; Y144-Y181 HydrophobicContact CE1-CE2 4.1Å; Y144-Y181 AromaticContact CE1-CG 3.46Å; Y144-Y181 HydrophobicContact CE1-CG 3.46Å; Y144-Y181 VanDerWaalsContact CE1-CG 3.46Å; Y144-Y181 AromaticContact CE1-CZ 3.97Å; Y144-Y181 HydrophobicContact CE2-CD2 4.39Å; Y144-Y181 HydrophobicContact CE2-CG 4.12Å; Y144-Y181 HydrophobicContact CG-CD1 4.47Å; Y144-Y181 AromaticContact CG-CD2 3.43Å; Y144-Y181 HydrophobicContact CG-CD2 3.43Å; Y144-Y181 VanDerWaalsContact CG-CD2 3.43Å; Y144-Y181 AromaticContact CG-CE2 3.63Å; Y144-Y181 HydrophobicContact CG-CE2 3.63Å; Y144-Y181 AromaticContact CG-CG 3.9Å; Y144-Y181 HydrophobicContact CG-CG 3.9Å; Y144-Y181 AromaticContact CZ-CD1 3.94Å; Y144-Y181 AromaticContact CZ-CG 3.76Å; Y144-Y181 WeakPolarHBondContact OH-CA 3.35Å; G177-Y181 WeakPolarHBondContact O-CD1 3.39Å; G177-Y181 PolarHBondContact O-N 2.88Å; F178-Y181 AromaticContact CD2-CD2 3.92Å; F178-Y181 HydrophobicContact CD2-CD2 3.92Å; F178-Y181 AromaticContact CD2-CE2 3.99Å; F178-Y181 HydrophobicContact CD2-CE2 3.99Å; F178-Y181 HydrophobicContact CD2-CG 4.47Å; F178-Y181 HydrophobicContact CE2-CD2 4.36Å; F178-Y181 VanDerWaalsContact O-CB 3.28Å; F178-Y181 WeakPolarHBondContact O-CB 3.4Å; F178-Y181 PolarHBondContact O-N 3.2Å; Y181-M183 HydrophobicContact CD2-CE 3.65Å; Y181-M183 HydrophobicContact CD2-SD 4.21Å; Y181-M183 HydrophobicContact CG-CE 4.36Å; Y181-M183 PolarHBondContact O-N 3.1Å
182	A	95.2	Very high	94.3	Very high	36 Å²	36	63.3 Å²	63.3	30%	0.298	35%	0.35	S	S	.	.	S	Bend	trans	-81.3	72.4	173.1	0	0	0	0	0	109.3	L108 Y144	L108-A182 HydrophobicContact CB-CB 3.94Å; L108-A182 HydrophobicContact CD1-CB 4.13Å; L108-A182 HydrophobicContact CG-CB 4.46Å; Y144-A182 PolarHBondContact OH-N 2.93Å
183	M	95.1	Very high	94.3	Very high	17 Å²	17	63 Å²	63	8%	0.084	35%	0.346	C	S	.	.	S	Bend	trans	-141.4	152.2	175.6	-51.2	-175.1	-48.3	0	0	107.6	Y144 L156 L158 F178 Y181	Y144-M183 HydrophobicContact CD2-CG 3.61Å; Y144-M183 HydrophobicContact CD2-SD 3.54Å; Y144-M183 VanDerWaalsContact CD2-SD 3.54Å; Y144-M183 HydrophobicContact CE2-CG 3.89Å; Y144-M183 HydrophobicContact CE2-SD 4.38Å; Y144-M183 HydrophobicContact CG-SD 4.09Å; L156-M183 HydrophobicContact CB-CB 4.11Å; L156-M183 HydrophobicContact CB-CG 3.83Å; L156-M183 HydrophobicContact CB-SD 4.08Å; L156-M183 HydrophobicContact CD1-CG 4.05Å; L156-M183 HydrophobicContact CD1-SD 3.74Å; L156-M183 WeakPolarHBondContact O-CA 3.49Å; L158-M183 HydrophobicContact CD1-CE 3.58Å; L158-M183 HydrophobicContact CD2-CE 4.49Å; L158-M183 HydrophobicContact CG-CE 3.95Å; F178-M183 HydrophobicContact CE2-CE 4.31Å; Y181-M183 HydrophobicContact CD2-CE 3.65Å; Y181-M183 HydrophobicContact CD2-SD 4.21Å; Y181-M183 HydrophobicContact CG-CE 4.36Å; Y181-M183 PolarHBondContact O-N 3.1Å
184	E	96.6	Very high	94.4	Very high	56 Å²	56	56.5 Å²	56.5	26%	0.262	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	127.6	170.6	-55.8	-59.4	155	0	0	108.6	R112 H155 L156 F157 L158	R112-E184 IonicContact CZ-OE1 3.24Å; R112-E184 IonicContact NE-OE1 3.94Å; R112-E184 PolarHBondContact NE-OE1 3.17Å; R112-E184 IonicContact NH2-OE1 3.87Å; R112-E184 PolarHBondContact NH2-OE1 2.98Å; R112-E184 IonicContact NH2-OE2 3.82Å; H155-E184 VanDerWaalsContact NE2-CG 3.34Å; H155-E184 WeakPolarHBondContact NE2-CG 3.45Å; H155-E184 IonicContact NE2-OE1 3.56Å; H155-E184 PolarHBondContact NE2-OE1 3.4Å; L156-E184 PolarHBondContact O-N 3.36Å; F157-E184 CarbonylContact C-O 3.56Å; F157-E184 WeakPolarHBondContact CA-O 3.49Å; F157-E184 HydrophobicContact CD1-CB 3.49Å; F157-E184 VanDerWaalsContact CD1-CB 3.49Å; F157-E184 HydrophobicContact CD1-CG 3.84Å; F157-E184 HydrophobicContact CE1-CB 3.75Å; F157-E184 HydrophobicContact CE1-CG 3.54Å; F157-E184 HydrophobicContact CG-CB 4.22Å; F157-E184 HydrophobicContact CZ-CG 4.1Å; L158-E184 PolarHBondContact N-O 2.93Å
185	I	96.8	Very high	94.6	Very high	62 Å²	62	57.1 Å²	57.1	32%	0.318	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.7	173.8	-59.6	175.6	0	0	0	106.2	L158 L161 Y168 F178	L158-I185 HydrophobicContact CB-CG1 4.38Å; L158-I185 HydrophobicContact CD1-CG1 4.25Å; L161-I185 HydrophobicContact CB-CG2 4.26Å; L161-I185 HydrophobicContact CD2-CG2 3.89Å; L161-I185 HydrophobicContact CG-CG2 4.21Å; Y168-I185 HydrophobicContact CE2-CG2 4.49Å; F178-I185 HydrophobicContact CE1-CD1 3.8Å; F178-I185 HydrophobicContact CZ-CD1 3.76Å
186	T	96.7	Very high	94.8	Very high	27 Å²	27	59.7 Å²	59.7	17%	0.166	35%	0.349	C	S	.	.			trans	-145.4	153	-178.3	-177.8	0	0	0	0	111.2	L158 T159 D160 L161 E188 L193	L158-T186 PolarHBondContact O-N 3.45Å; T159-T186 CarbonylContact C-O 3.58Å; T159-T186 HydrophobicContact CG2-CG2 4.39Å; D160-T186 PolarHBondContact N-O 3.49Å; L161-T186 PolarHBondContact N-O 2.86Å; T186-E188 VanDerWaalsContact C-N 3.3Å; T186-E188 HydrophobicContact CG2-CB 4.22Å; T186-E188 WeakPolarHBondContact OG1-CB 3.4Å; T186-E188 WeakPolarHBondContact OG1-CG 3.38Å; T186-E188 PolarHBondContact OG1-N 3.4Å; T186-E188 VanDerWaalsContact OG1-N 3.09Å; T186-E188 PolarHBondContact OG1-OE2 3.05Å; T186-L193 HydrophobicContact CG2-CD1 3.86Å
187	E	97.1	Very high	95.2	Very high	113 Å²	113	58.2 Å²	58.2	53%	0.528	34%	0.337	S	S	.	.	S	Bend	trans	-82	-14.9	171	-51.1	-161.6	155.4	0	0	111.9	R162	R162-E187 WeakPolarHBondContact CA-OE1 3.45Å; R162-E187 HydrophobicContact CB-CG 4.5Å; R162-E187 HydrophobicContact CG-CB 4.38Å; R162-E187 HydrophobicContact CG-CG 4.15Å
188	E	97.1	Very high	95.5	Very high	99 Å²	99	57.4 Å²	57.4	46%	0.463	32%	0.321	S	S	.	.	S	Bend	trans	-69.4	151.2	177.6	-63.8	168.4	127.6	0	0	111.1	T159 D160 T186 D192 L193	T159-E188 VanDerWaalsContact CB-O 3.32Å; T159-E188 WeakPolarHBondContact CB-O 3.39Å; D160-E188 PolarHBondContact N-O 3.24Å; T186-E188 VanDerWaalsContact C-N 3.3Å; T186-E188 HydrophobicContact CG2-CB 4.22Å; T186-E188 WeakPolarHBondContact OG1-CB 3.4Å; T186-E188 WeakPolarHBondContact OG1-CG 3.38Å; T186-E188 PolarHBondContact OG1-N 3.4Å; T186-E188 VanDerWaalsContact OG1-N 3.09Å; T186-E188 PolarHBondContact OG1-OE2 3.05Å; E188-D192 HydrophobicContact CB-CB 4.07Å; E188-L193 HydrophobicContact CB-CD2 4.24Å; E188-L193 HydrophobicContact CB-CG 4.46Å; E188-L193 WeakPolarHBondContact OE2-CD2 3.28Å
189	S	95.4	Very high	95.6	Very high	19 Å²	19	57.4 Å²	57.4	13%	0.133	32%	0.321	C	S	.	.			trans	-78.9	162.6	175.3	78.5	0	0	0	0	111.3	D160 L191 D192 L193	D160-S189 WeakPolarHBondContact OD2-CA 3.47Å; S189-L191 PolarHBondContact O-N 2.61Å; S189-L191 VanDerWaalsContact O-N 3.16Å; S189-L191 PolarHBondContact OG-N 3.23Å; S189-D192 WeakPolarHBondContact CA-OD2 3.38Å; S189-D192 VanDerWaalsContact CB-OD2 3.28Å; S189-D192 WeakPolarHBondContact CB-OD2 3.29Å; S189-D192 PolarHBondContact N-OD2 3.11Å; S189-D192 PolarHBondContact O-N 3.36Å; S189-D192 VanDerWaalsContact O-N 3.08Å; S189-D192 VanDerWaalsContact OG-CG 3.24Å; S189-D192 PolarHBondContact OG-N 3.32Å; S189-D192 PolarHBondContact OG-OD2 2.86Å; S189-L193 PolarHBondContact O-N 3.08Å
190	C	94.8	Very high	95.9	Very high	8 Å²	8	51.7 Å²	51.7	5%	0.054	29%	0.291	C	S	.	.	H	α-helix	trans	-56.5	-32.6	176.5	-175.3	0	0	0	0	113	C119 T159 L193 F194 V220	C119-C190 VanDerWaalsContact SG-SG 3.62Å; T159-C190 HydrophobicContact CG2-CB 4.37Å; C190-L193 PolarHBondContact O-N 3.26Å; C190-F194 WeakPolarHBondContact O-CD2 3.45Å; C190-F194 PolarHBondContact O-N 2.84Å; C190-V220 HydrophobicContact CB-CG2 4.3Å; C190-V220 WeakPolarHBondContact SG-CG2 3.26Å
191	L	95.6	Very high	96.1	Very high	52 Å²	52	48.7 Å²	48.7	27%	0.272	26%	0.26	S	S	.	.	H	α-helix	trans	-79.5	-18.6	180	-69.2	-172	0	0	0	114.2	S189 L193 V199 L241 V243	S189-L191 PolarHBondContact O-N 2.61Å; S189-L191 VanDerWaalsContact O-N 3.16Å; S189-L191 PolarHBondContact OG-N 3.23Å; L191-L193 VanDerWaalsContact C-N 3.28Å; L191-V199 HydrophobicContact CD2-CG2 4.22Å; L191-L241 HydrophobicContact CD1-CB 3.91Å; L191-L241 HydrophobicContact CD1-CD2 3.79Å; L191-L241 HydrophobicContact CD1-CG 4.39Å; L191-L241 WeakPolarHBondContact CD1-O 3.33Å; L191-L241 HydrophobicContact CG-CD2 4.38Å; L191-V243 HydrophobicContact CD1-CG1 4.33Å; L191-V243 HydrophobicContact CD2-CG1 3.67Å; L191-V243 HydrophobicContact CG-CG1 4.41Å
192	D	96.3	Very high	96.2	Very high	110 Å²	110	47.5 Å²	47.5	59%	0.588	26%	0.257	S	S	*	.	H	α-helix	trans	-73.9	-28.9	171.7	-58.5	-48.3	0	0	0	110.6	E188 S189	E188-D192 HydrophobicContact CB-CB 4.07Å; S189-D192 WeakPolarHBondContact CA-OD2 3.38Å; S189-D192 VanDerWaalsContact CB-OD2 3.28Å; S189-D192 WeakPolarHBondContact CB-OD2 3.29Å; S189-D192 PolarHBondContact N-OD2 3.11Å; S189-D192 PolarHBondContact O-N 3.36Å; S189-D192 VanDerWaalsContact O-N 3.08Å; S189-D192 VanDerWaalsContact OG-CG 3.24Å; S189-D192 PolarHBondContact OG-N 3.32Å; S189-D192 PolarHBondContact OG-OD2 2.86Å
193	L	95.8	Very high	96.1	Very high	55 Å²	55	46 Å²	46	29%	0.288	24%	0.243	S	C	.	.	H	α-helix	trans	-89.9	-31.4	-178	-57.6	175.2	0	0	0	113.6	F157 T159 T186 E188 S189 C190 L191	F157-L193 HydrophobicContact CD1-CD1 4.07Å; T159-L193 HydrophobicContact CG2-CD1 3.92Å; T186-L193 HydrophobicContact CG2-CD1 3.86Å; E188-L193 HydrophobicContact CB-CD2 4.24Å; E188-L193 HydrophobicContact CB-CG 4.46Å; E188-L193 WeakPolarHBondContact OE2-CD2 3.28Å; S189-L193 PolarHBondContact O-N 3.08Å; C190-L193 PolarHBondContact O-N 3.26Å; L191-L193 VanDerWaalsContact C-N 3.28Å
194	F	96.3	Very high	96	Very high	27 Å²	27	48 Å²	48	12%	0.118	26%	0.258	C	S	.	.	S	Bend	trans	-137.1	143.4	-169.4	-54.4	-68.1	0	0	0	112.7	K117 F157 C190 S196 V199 V218	K117-F194 HydrophobicContact CD-CD1 4.49Å; K117-F194 HydrophobicContact CD-CE1 3.83Å; K117-F194 HydrophobicContact CD-CZ 4.25Å; F157-F194 HydrophobicContact CD1-CE2 4.36Å; F157-F194 HydrophobicContact CD1-CZ 4.2Å; F157-F194 HydrophobicContact CD2-CE2 4.45Å; F157-F194 HydrophobicContact CD2-CZ 4.25Å; F157-F194 HydrophobicContact CE1-CE2 4.36Å; F157-F194 AromaticContact CE1-CZ 3.76Å; F157-F194 HydrophobicContact CE1-CZ 3.76Å; F157-F194 HydrophobicContact CE2-CE2 4.47Å; F157-F194 AromaticContact CE2-CZ 3.83Å; F157-F194 HydrophobicContact CE2-CZ 3.83Å; F157-F194 HydrophobicContact CG-CE2 4.43Å; F157-F194 HydrophobicContact CG-CZ 4.45Å; F157-F194 HydrophobicContact CZ-CE1 4.46Å; F157-F194 HydrophobicContact CZ-CE2 4.44Å; F157-F194 AromaticContact CZ-CZ 3.58Å; F157-F194 HydrophobicContact CZ-CZ 3.58Å; C190-F194 WeakPolarHBondContact O-CD2 3.45Å; C190-F194 PolarHBondContact O-N 2.84Å; F194-S196 PolarHBondContact O-N 3.23Å; F194-V199 HydrophobicContact CB-CG2 3.97Å; F194-V218 HydrophobicContact CB-CG2 4.16Å; F194-V218 HydrophobicContact CD1-CG2 3.86Å; F194-V218 HydrophobicContact CD2-CB 4.46Å; F194-V218 HydrophobicContact CD2-CG1 3.86Å; F194-V218 HydrophobicContact CD2-CG2 4.08Å; F194-V218 HydrophobicContact CE1-CG2 4.29Å; F194-V218 HydrophobicContact CE2-CG1 4.03Å; F194-V218 HydrophobicContact CE2-CG2 4.48Å; F194-V218 HydrophobicContact CG-CB 4.5Å; F194-V218 HydrophobicContact CG-CG1 4.37Å; F194-V218 HydrophobicContact CG-CG2 3.75Å
195	P	96	Very high	95.6	Very high	69 Å²	69	48.2 Å²	48.2	45%	0.448	26%	0.261	S	S	.	.			trans	-61.9	135.5	173.6	-19.2	31.4	0	0	0	111.5	E197 T198	P195-E197 HydrophobicContact CB-CG 4.33Å; P195-E197 WeakPolarHBondContact CB-OE1 2.97Å; P195-E197 VanDerWaalsContact CB-OE2 3.3Å; P195-E197 WeakPolarHBondContact CB-OE2 3.38Å; P195-E197 PolarHBondContact O-N 2.89Å; P195-E197 VanDerWaalsContact O-N 3.15Å; P195-T198 HydrophobicContact CB-CG2 4.38Å; P195-T198 PolarHBondContact O-N 3.22Å; P195-T198 PolarHBondContact O-OG1 3.33Å
196	S	94.7	Very high	95.5	Very high	56 Å²	56	45.6 Å²	45.6	39%	0.392	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-59.7	-30	-173.1	60.6	0	0	0	0	113.4	F194 T198 V199	F194-S196 PolarHBondContact O-N 3.23Å; S196-T198 PolarHBondContact O-N 3.42Å; S196-V199 PolarHBondContact O-N 2.86Å; S196-V199 VanDerWaalsContact O-N 3.14Å
197	E	95.1	Very high	95.3	Very high	127 Å²	127	52.2 Å²	52.2	59%	0.593	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-64.2	-28.4	176.4	65.2	-86.2	-161	0	0	113.2	P195 V199 R244	P195-E197 HydrophobicContact CB-CG 4.33Å; P195-E197 WeakPolarHBondContact CB-OE1 2.97Å; P195-E197 VanDerWaalsContact CB-OE2 3.3Å; P195-E197 WeakPolarHBondContact CB-OE2 3.38Å; P195-E197 PolarHBondContact O-N 2.89Å; P195-E197 VanDerWaalsContact O-N 3.15Å; E197-V199 VanDerWaalsContact C-N 3.34Å; E197-R244 PolarHBondContact O-NE 2.89Å; E197-R244 PolarHBondContact O-NH2 2.87Å
198	T	96.1	Very high	95.2	Very high	39 Å²	39	52.8 Å²	52.8	24%	0.239	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-86.1	-8	177.9	69.7	0	0	0	0	112.8	P195 S196 T217 V218	P195-T198 HydrophobicContact CB-CG2 4.38Å; P195-T198 PolarHBondContact O-N 3.22Å; P195-T198 PolarHBondContact O-OG1 3.33Å; S196-T198 PolarHBondContact O-N 3.42Å; T198-T217 CarbonylContact O-C 3.36Å; T198-T217 WeakPolarHBondContact O-CA 3.29Å; T198-T217 WeakPolarHBondContact O-CG2 3.43Å; T198-V218 PolarHBondContact O-N 2.86Å
199	V	97.6	Very high	95.2	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.012	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	131.8	-172.9	177.7	0	0	0	0	110.9	L191 F194 S196 E197 V218 V220 V243	L191-V199 HydrophobicContact CD2-CG2 4.22Å; F194-V199 HydrophobicContact CB-CG2 3.97Å; S196-V199 PolarHBondContact O-N 2.86Å; S196-V199 VanDerWaalsContact O-N 3.14Å; E197-V199 VanDerWaalsContact C-N 3.34Å; V199-V218 WeakPolarHBondContact CA-O 3.46Å; V199-V218 HydrophobicContact CG2-CB 4.27Å; V199-V220 HydrophobicContact CG1-CG2 3.57Å; V199-V243 HydrophobicContact CB-CG1 4.08Å; V199-V243 HydrophobicContact CG1-CB 4.21Å; V199-V243 HydrophobicContact CG1-CG1 3.91Å
200	V	97.9	Very high	95.3	Very high	9 Å²	9	48.3 Å²	48.3	6%	0.055	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	115.1	171.2	176.8	0	0	0	0	109.3	L202 T217 V218 Y219 V220 R244 A246	V200-L202 HydrophobicContact CG1-CD2 4.04Å; V200-T217 HydrophobicContact CB-CG2 4.02Å; V200-T217 HydrophobicContact CG2-CG2 3.57Å; V200-V218 PolarHBondContact N-O 3.21Å; V200-Y219 HydrophobicContact CB-CD1 4.19Å; V200-Y219 HydrophobicContact CB-CE1 4.27Å; V200-Y219 HydrophobicContact CG1-CD1 4.41Å; V200-Y219 HydrophobicContact CG1-CE1 4.47Å; V200-Y219 WeakPolarHBondContact O-CA 3.41Å; V200-V220 PolarHBondContact O-N 3.03Å; V200-R244 CarbonylContact C-O 3.58Å; V200-R244 WeakPolarHBondContact CA-O 3.49Å; V200-R244 HydrophobicContact CG2-CB 4.2Å; V200-A246 HydrophobicContact CG1-CB 3.89Å
201	Y	97.8	Very high	95.3	Very high	1 Å²	1	53.4 Å²	53.4	0%	0.004	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	119.8	176.9	-156.4	-63.2	0	0	0	110.6	D121 M124 V220 G222 R237 A238 L241 V243 R244 T245 A246	D121-Y201 HydrophobicContact CB-CE2 4.31Å; D121-Y201 PolarHBondContact OD2-OH 3.18Å; M124-Y201 WeakPolarHBondContact CE-OH 3.42Å; Y201-V220 HydrophobicContact CD2-CB 3.87Å; Y201-V220 HydrophobicContact CD2-CG1 3.67Å; Y201-V220 HydrophobicContact CE2-CB 4.29Å; Y201-V220 HydrophobicContact CE2-CG1 3.58Å; Y201-V220 HydrophobicContact CG-CB 4.15Å; Y201-V220 HydrophobicContact CG-CG1 4.32Å; Y201-G222 WeakPolarHBondContact OH-CA 3.05Å; Y201-R237 HydrophobicContact CE2-CG 4.44Å; Y201-A238 HydrophobicContact CD1-CB 4.17Å; Y201-A238 HydrophobicContact CD2-CB 4.1Å; Y201-A238 HydrophobicContact CG-CB 3.73Å; Y201-L241 HydrophobicContact CD2-CD1 4.35Å; Y201-L241 HydrophobicContact CE2-CD1 4.31Å; Y201-V243 HydrophobicContact CD2-CG2 4.43Å; Y201-R244 PolarHBondContact N-O 3.34Å; Y201-T245 VanDerWaalsContact O-CA 3.29Å; Y201-T245 WeakPolarHBondContact O-CA 3.49Å; Y201-A246 PolarHBondContact O-N 3.17Å; Y201-A246 VanDerWaalsContact O-N 3.13Å
202	L	96.9	Very high	95.3	Very high	14 Å²	14	54 Å²	54	7%	0.073	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	118.5	-179.8	-58.8	-177.8	0	0	0	111	V200 L210 Y219 V220 L221 A246 V273 L277	V200-L202 HydrophobicContact CG1-CD2 4.04Å; L202-L210 HydrophobicContact CD1-CD2 4.43Å; L202-L210 HydrophobicContact CD2-CD2 3.97Å; L202-Y219 HydrophobicContact CD1-CD1 4.27Å; L202-Y219 HydrophobicContact CD2-CD1 4.29Å; L202-Y219 HydrophobicContact CG-CD1 4.41Å; L202-V220 PolarHBondContact N-O 2.89Å; L202-L221 HydrophobicContact CB-CD2 3.94Å; L202-L221 HydrophobicContact CD1-CD2 3.74Å; L202-L221 HydrophobicContact CG-CD2 4.3Å; L202-A246 VanDerWaalsContact CA-O 3.28Å; L202-A246 WeakPolarHBondContact CA-O 3.44Å; L202-A246 HydrophobicContact CD2-CB 4.03Å; L202-V273 HydrophobicContact CD1-CG1 4.4Å; L202-L277 HydrophobicContact CD1-CD1 3.63Å; L202-L277 HydrophobicContact CD1-CD2 4.18Å; L202-L277 HydrophobicContact CD1-CG 4.44Å
203	T	93.6	Very high	95.3	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.018	26%	0.262	C	S	.	.			trans	-141.8	138.2	179.3	175.4	0	0	0	0	110.4	D205 A206 S234 L235 T245 A246 R247	T203-D205 PolarHBondContact O-N 2.82Å; T203-D205 PolarHBondContact OG1-N 3.43Å; T203-A206 HydrophobicContact CG2-CB 3.74Å; T203-A206 PolarHBondContact O-N 3.09Å; T203-S234 WeakPolarHBondContact CB-OG 3.31Å; T203-S234 PolarHBondContact OG1-OG 3.42Å; T203-L235 HydrophobicContact CG2-CB 4.26Å; T203-L235 HydrophobicContact CG2-CD1 3.89Å; T203-T245 HydrophobicContact CG2-CG2 4.42Å; T203-A246 PolarHBondContact N-O 2.9Å; T203-R247 WeakPolarHBondContact O-CA 3.48Å; T203-R247 VanDerWaalsContact O-CB 3.24Å; T203-R247 WeakPolarHBondContact O-CB 3.36Å
204	P	91.4	Very high	95.1	Very high	60 Å²	60	50 Å²	50	39%	0.39	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-17.6	178.3	28.5	-36.7	0	0	0	113.3	I267	P204-I267 HydrophobicContact CB-CG1 4.2Å; P204-I267 HydrophobicContact CG-CG1 4.09Å
205	D	89.6	Confident	94.9	Very high	61 Å²	61	51.9 Å²	51.9	33%	0.326	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-0.2	-178.3	-62.9	-58.3	0	0	0	113.2	T203 K232 L235	T203-D205 PolarHBondContact O-N 2.82Å; T203-D205 PolarHBondContact OG1-N 3.43Å; D205-K232 WeakPolarHBondContact OD2-CA 3.39Å; D205-K232 PolarHBondContact OD2-N 2.93Å; D205-L235 HydrophobicContact CB-CB 4.16Å; D205-L235 HydrophobicContact CB-CD2 3.94Å
206	A	93.2	Very high	94.8	Very high	6 Å²	6	55.2 Å²	55.2	5%	0.05	30%	0.295	C	S	.	.			trans	-68.1	148.2	176.8	0	0	0	0	0	111.9	T203 A246 R247	T203-A206 HydrophobicContact CG2-CB 3.74Å; T203-A206 PolarHBondContact O-N 3.09Å; A206-A246 VanDerWaalsContact CB-C 3.44Å; A206-R247 HydrophobicContact CB-CB 4.14Å; A206-R247 VanDerWaalsContact O-CD 3.24Å; A206-R247 WeakPolarHBondContact O-CD 3.38Å; A206-R247 WeakPolarHBondContact O-CG 3.35Å
207	Q	92.3	Very high	94.9	Very high	167 Å²	167	53.2 Å²	53.2	78%	0.78	28%	0.28	S	S	*	.	S	Bend	trans	-73.7	-49.4	178.2	-178.2	171.7	-15.8	0	0	111.5
208	E	95.9	Very high	95	Very high	125 Å²	125	47.3 Å²	47.3	58%	0.584	25%	0.253	S	S	*	.	S	Bend	trans	-80.4	135.6	-175.5	-63.2	-58	145.9	0	0	112	A246 R247	E208-A246 CarbonylContact O-C 3.55Å; E208-A246 WeakPolarHBondContact O-CA 3.5Å; E208-R247 WeakPolarHBondContact O-CG 3.32Å; E208-R247 PolarHBondContact O-N 2.91Å
209	A	97.1	Very high	95.1	Very high	10 Å²	10	45.5 Å²	45.5	8%	0.083	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-84.8	137.4	174.5	0	0	0	0	0	111	Q211 R247 P249 E252	A209-Q211 PolarHBondContact O-N 3.18Å; A209-Q211 PolarHBondContact O-NE2 2.66Å; A209-R247 WeakPolarHBondContact CA-O 3.4Å; A209-P249 HydrophobicContact CB-CB 4.09Å; A209-E252 VanDerWaalsContact CB-OE1 3.29Å; A209-E252 WeakPolarHBondContact CB-OE1 3.43Å
210	L	97.7	Very high	95.1	Very high	14 Å²	14	45.6 Å²	45.6	7%	0.073	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-67.7	120.4	175.6	-173.3	66.1	0	0	0	110	L202 T212 V213 Y219 A246 R247 L277 W286	L202-L210 HydrophobicContact CD1-CD2 4.43Å; L202-L210 HydrophobicContact CD2-CD2 3.97Å; L210-T212 VanDerWaalsContact CD1-O 3.32Å; L210-T212 WeakPolarHBondContact CD1-O 3.33Å; L210-T212 WeakPolarHBondContact CG-O 3.41Å; L210-V213 HydrophobicContact CD2-CG2 4.2Å; L210-Y219 HydrophobicContact CD1-CE1 3.78Å; L210-Y219 HydrophobicContact CD2-CD1 4.44Å; L210-Y219 HydrophobicContact CD2-CE1 4.14Å; L210-A246 HydrophobicContact CB-CB 4.03Å; L210-A246 HydrophobicContact CD1-CB 4.15Å; L210-R247 WeakPolarHBondContact CB-O 3.44Å; L210-R247 PolarHBondContact N-O 3.04Å; L210-L277 HydrophobicContact CD2-CD2 3.87Å; L210-W286 HydrophobicContact CB-CZ2 4.37Å; L210-W286 HydrophobicContact CD2-CH2 3.9Å; L210-W286 HydrophobicContact CD2-CZ2 4.15Å; L210-W286 HydrophobicContact CG-CH2 4.3Å; L210-W286 HydrophobicContact CG-CZ2 4.07Å; L210-W286 WeakPolarHBondContact O-CZ2 3.41Å; L210-W286 PolarHBondContact O-NE1 3.23Å
211	Q	95.4	Very high	95.1	Very high	114 Å²	114	45.4 Å²	45.4	53%	0.533	24%	0.241	S	C	.	.			trans	-92.7	-42.7	-177.1	-60.1	-59.4	-34.9	0	0	112.5	A209 W286	A209-Q211 PolarHBondContact O-N 3.18Å; A209-Q211 PolarHBondContact O-NE2 2.66Å; Q211-W286 PolarHBondContact O-NE1 2.81Å
212	T	95.1	Very high	94.9	Very high	66 Å²	66	46.2 Å²	46.2	41%	0.405	25%	0.249	S	C	.	.			trans	-134.9	164.2	-176.5	56.6	0	0	0	0	111.2	L210 D214 Y219	L210-T212 VanDerWaalsContact CD1-O 3.32Å; L210-T212 WeakPolarHBondContact CD1-O 3.33Å; L210-T212 WeakPolarHBondContact CG-O 3.41Å; T212-D214 WeakPolarHBondContact CB-OD1 3.24Å; T212-D214 PolarHBondContact OG1-OD1 3.13Å; T212-D214 VanDerWaalsContact OG1-OD1 3.06Å; T212-D214 PolarHBondContact OG1-OD2 3.19Å; T212-D214 VanDerWaalsContact OG1-OD2 3.11Å; T212-Y219 PolarHBondContact O-OH 3.02Å
213	V	95.1	Very high	94.6	Very high	6 Å²	6	45.6 Å²	45.6	4%	0.036	25%	0.246	C	C	.	.			trans	-121.1	91.3	174.1	-172.8	0	0	0	0	108.3	R116 F154 L210 Y219 L277 F280 W286	R116-V213 PolarHBondContact NE-O 2.97Å; F154-V213 HydrophobicContact CE1-CG1 4.4Å; F154-V213 HydrophobicContact CZ-CG1 4.21Å; L210-V213 HydrophobicContact CD2-CG2 4.2Å; V213-Y219 VanDerWaalsContact CA-OH 3.3Å; V213-Y219 WeakPolarHBondContact CA-OH 3.43Å; V213-Y219 HydrophobicContact CB-CE2 4.4Å; V213-Y219 HydrophobicContact CG1-CD2 4.02Å; V213-Y219 HydrophobicContact CG1-CE2 3.52Å; V213-L277 HydrophobicContact CG2-CD2 3.89Å; V213-F280 HydrophobicContact CB-CD1 3.82Å; V213-F280 HydrophobicContact CB-CE1 4.08Å; V213-F280 HydrophobicContact CG2-CD1 3.39Å; V213-F280 HydrophobicContact CG2-CE1 3.84Å; V213-F280 HydrophobicContact CG2-CG 4.28Å; V213-W286 HydrophobicContact CG2-CH2 4.12Å; V213-W286 HydrophobicContact CG2-CZ2 4.29Å
214	D	93.4	Very high	94.3	Very high	75 Å²	75	47.3 Å²	47.3	40%	0.401	26%	0.255	S	S	.	.			trans	-86.3	153.1	-170	-55.7	-39.7	0	0	0	111.4	T212 Y219	T212-D214 WeakPolarHBondContact CB-OD1 3.24Å; T212-D214 PolarHBondContact OG1-OD1 3.13Å; T212-D214 VanDerWaalsContact OG1-OD1 3.06Å; T212-D214 PolarHBondContact OG1-OD2 3.19Å; T212-D214 VanDerWaalsContact OG1-OD2 3.11Å; D214-Y219 PolarHBondContact N-OH 3.39Å
215	V	91.3	Very high	93.9	Very high	65 Å²	65	45.2 Å²	45.2	39%	0.394	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-30.8	-176.8	-176	0	0	0	0	111.9	R116 T217	R116-V215 HydrophobicContact CG-CG2 4.12Å; V215-T217 VanDerWaalsContact C-N 3.29Å; V215-T217 PolarHBondContact O-N 2.91Å
216	D	93.3	Very high	93.1	Very high	139 Å²	139	44.3 Å²	44.3	74%	0.743	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	0.5	-177.9	-56.6	-43.5	0	0	0	113.4
217	T	96.7	Very high	91.7	Very high	14 Å²	14	49.7 Å²	49.7	9%	0.086	26%	0.26	C	S	.	.			trans	-105.4	140.2	178.9	-62.9	0	0	0	0	110.7	T198 V200 V215 Y219	T198-T217 CarbonylContact O-C 3.36Å; T198-T217 WeakPolarHBondContact O-CA 3.29Å; T198-T217 WeakPolarHBondContact O-CG2 3.43Å; V200-T217 HydrophobicContact CB-CG2 4.02Å; V200-T217 HydrophobicContact CG2-CG2 3.57Å; V215-T217 VanDerWaalsContact C-N 3.29Å; V215-T217 PolarHBondContact O-N 2.91Å; T217-Y219 HydrophobicContact CG2-CD1 4.29Å; T217-Y219 HydrophobicContact CG2-CD2 4.4Å; T217-Y219 HydrophobicContact CG2-CE1 3.77Å; T217-Y219 HydrophobicContact CG2-CE2 3.9Å
218	V	97.9	Very high	90	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.018	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	116.8	173	-175	0	0	0	0	108.9	K117 C119 F194 T198 V199 V200	K117-V218 HydrophobicContact CB-CB 4.4Å; K117-V218 HydrophobicContact CB-CG1 4.18Å; K117-V218 HydrophobicContact CB-CG2 4Å; K117-V218 HydrophobicContact CD-CG2 3.88Å; C119-V218 VanDerWaalsContact SG-CG1 3.53Å; F194-V218 HydrophobicContact CB-CG2 4.16Å; F194-V218 HydrophobicContact CD1-CG2 3.86Å; F194-V218 HydrophobicContact CD2-CB 4.46Å; F194-V218 HydrophobicContact CD2-CG1 3.86Å; F194-V218 HydrophobicContact CD2-CG2 4.08Å; F194-V218 HydrophobicContact CE1-CG2 4.29Å; F194-V218 HydrophobicContact CE2-CG1 4.03Å; F194-V218 HydrophobicContact CE2-CG2 4.48Å; F194-V218 HydrophobicContact CG-CB 4.5Å; F194-V218 HydrophobicContact CG-CG1 4.37Å; F194-V218 HydrophobicContact CG-CG2 3.75Å; T198-V218 PolarHBondContact O-N 2.86Å; V199-V218 WeakPolarHBondContact CA-O 3.46Å; V199-V218 HydrophobicContact CG2-CB 4.27Å; V200-V218 PolarHBondContact N-O 3.21Å
219	Y	98.3	Very high	88.5	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.008	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	126.9	179.4	-63.6	-79.8	0	0	0	110.7	K117 L118 C119 V200 L202 L210 T212 V213 D214 T217	K117-Y219 PolarHBondContact O-N 3.27Å; K117-Y219 VanDerWaalsContact O-N 3.14Å; L118-Y219 CarbonylContact C-O 3.57Å; L118-Y219 VanDerWaalsContact CA-O 3.26Å; L118-Y219 WeakPolarHBondContact CA-O 3.42Å; C119-Y219 PolarHBondContact N-O 3.04Å; V200-Y219 HydrophobicContact CB-CD1 4.19Å; V200-Y219 HydrophobicContact CB-CE1 4.27Å; V200-Y219 HydrophobicContact CG1-CD1 4.41Å; V200-Y219 HydrophobicContact CG1-CE1 4.47Å; V200-Y219 WeakPolarHBondContact O-CA 3.41Å; L202-Y219 HydrophobicContact CD1-CD1 4.27Å; L202-Y219 HydrophobicContact CD2-CD1 4.29Å; L202-Y219 HydrophobicContact CG-CD1 4.41Å; L210-Y219 HydrophobicContact CD1-CE1 3.78Å; L210-Y219 HydrophobicContact CD2-CD1 4.44Å; L210-Y219 HydrophobicContact CD2-CE1 4.14Å; T212-Y219 PolarHBondContact O-OH 3.02Å; V213-Y219 VanDerWaalsContact CA-OH 3.3Å; V213-Y219 WeakPolarHBondContact CA-OH 3.43Å; V213-Y219 HydrophobicContact CB-CE2 4.4Å; V213-Y219 HydrophobicContact CG1-CD2 4.02Å; V213-Y219 HydrophobicContact CG1-CE2 3.52Å; D214-Y219 PolarHBondContact N-OH 3.39Å; T217-Y219 HydrophobicContact CG2-CD1 4.29Å; T217-Y219 HydrophobicContact CG2-CD2 4.4Å; T217-Y219 HydrophobicContact CG2-CE1 3.77Å; T217-Y219 HydrophobicContact CG2-CE2 3.9Å
220	V	98.2	Very high	87	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.018	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.8	-179.4	-173	0	0	0	0	110.1	C119 D121 C190 V199 V200 Y201 L202	C119-V220 HydrophobicContact CB-CG1 4.41Å; C119-V220 HydrophobicContact CB-CG2 4.2Å; C119-V220 CarbonylContact O-C 3.52Å; C119-V220 WeakPolarHBondContact O-CA 3.3Å; D121-V220 HydrophobicContact CB-CG1 3.8Å; C190-V220 HydrophobicContact CB-CG2 4.3Å; C190-V220 WeakPolarHBondContact SG-CG2 3.26Å; V199-V220 HydrophobicContact CG1-CG2 3.57Å; V200-V220 PolarHBondContact O-N 3.03Å; Y201-V220 HydrophobicContact CD2-CB 3.87Å; Y201-V220 HydrophobicContact CD2-CG1 3.67Å; Y201-V220 HydrophobicContact CE2-CB 4.29Å; Y201-V220 HydrophobicContact CE2-CG1 3.58Å; Y201-V220 HydrophobicContact CG-CB 4.15Å; Y201-V220 HydrophobicContact CG-CG1 4.32Å; L202-V220 PolarHBondContact N-O 2.89Å
221	L	97.4	Very high	85.6	Confident	6 Å²	6	55.6 Å²	55.6	3%	0.031	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	128.8	170.3	-55.8	-172	0	0	0	109.1	L118 C119 V120 D121 L202 G223 V270 V273 F274 L277	L118-L221 HydrophobicContact CD1-CD1 4.15Å; L118-L221 HydrophobicContact CD1-CG 4.23Å; L118-L221 HydrophobicContact CD2-CD1 4.07Å; L118-L221 HydrophobicContact CD2-CG 4.25Å; L118-L221 HydrophobicContact CG-CG 4.37Å; C119-L221 PolarHBondContact O-N 3.44Å; V120-L221 CarbonylContact C-O 3.58Å; V120-L221 WeakPolarHBondContact CA-O 3.42Å; D121-L221 PolarHBondContact N-O 3.16Å; L202-L221 HydrophobicContact CB-CD2 3.94Å; L202-L221 HydrophobicContact CD1-CD2 3.74Å; L202-L221 HydrophobicContact CG-CD2 4.3Å; L221-G223 PolarHBondContact O-N 3.02Å; L221-V270 HydrophobicContact CB-CG1 4.31Å; L221-V270 HydrophobicContact CD1-CG1 3.87Å; L221-V273 HydrophobicContact CD1-CB 4.33Å; L221-V273 HydrophobicContact CD1-CG1 4.34Å; L221-V273 HydrophobicContact CD2-CB 4.29Å; L221-V273 HydrophobicContact CD2-CG1 3.57Å; L221-F274 HydrophobicContact CD1-CB 4.41Å; L221-L277 HydrophobicContact CD2-CD1 4.41Å
222	G	94.3	Very high	84.8	Confident	18 Å²	18	56.3 Å²	56.3	19%	0.186	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	118.2	169.2	0	0	0	0	0	110.8	Y201 L224 V270	Y201-G222 WeakPolarHBondContact OH-CA 3.05Å; G222-L224 PolarHBondContact O-N 3.01Å; G222-V270 WeakPolarHBondContact O-CG2 3.5Å
223	G	90.5	Very high	84.2	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.289	C	S	.	.			trans	-77.2	62.7	176	0	0	0	0	0	112.2	D121 L136 L221	D121-G223 VanDerWaalsContact O-CA 3.31Å; D121-G223 WeakPolarHBondContact O-CA 3.43Å; D121-G223 PolarHBondContact O-N 3.16Å; L136-G223 WeakPolarHBondContact CD2-O 3.49Å; L221-G223 PolarHBondContact O-N 3.02Å
224	L	86.5	Confident	83.5	Confident	40 Å²	40	56.2 Å²	56.2	21%	0.209	29%	0.294	C	S	.	.			trans	-120.6	135.7	-177.1	-174	71.8	0	0	0	110.3	M124 M128 G222 L233	M124-L224 HydrophobicContact CB-CD1 4.48Å; M128-L224 HydrophobicContact CG-CD1 4.06Å; M128-L224 HydrophobicContact SD-CD1 4.23Å; G222-L224 PolarHBondContact O-N 3.01Å; L224-L233 HydrophobicContact CD1-CD2 4.4Å; L224-L233 HydrophobicContact CD2-CD2 3.76Å
225	V	83.1	Confident	83.1	Confident	15 Å²	15	54.9 Å²	54.9	9%	0.091	29%	0.287	C	S	.	.			trans	-125.4	121.8	168	-179.1	0	0	0	0	107.5	M128 E132 R135 L136 Q139	M128-V225 HydrophobicContact SD-CB 4.19Å; M128-V225 PolarHBondContact SD-N 2.89Å; M128-V225 VanDerWaalsContact SD-N 3.35Å; E132-V225 HydrophobicContact CB-CB 4.23Å; E132-V225 HydrophobicContact CB-CG1 4.38Å; E132-V225 WeakPolarHBondContact CB-O 3.5Å; E132-V225 HydrophobicContact CG-CG1 4.3Å; E132-V225 VanDerWaalsContact CG-O 3.29Å; E132-V225 WeakPolarHBondContact CG-O 3.48Å; R135-V225 HydrophobicContact CB-CG1 3.98Å; L136-V225 HydrophobicContact CB-CG2 3.8Å; L136-V225 HydrophobicContact CD1-CG2 4.16Å; Q139-V225 VanDerWaalsContact NE2-CG2 3.33Å
226	D	73.5	Confident	83	Confident	42 Å²	42	54.7 Å²	54.7	23%	0.225	29%	0.288	C	S	.	.			trans	-124.8	129	-176.8	-161.8	-19.9	0	0	0	110.2	E132 S228 Q230	E132-D226 WeakPolarHBondContact OE1-CA 3.35Å; D226-S228 VanDerWaalsContact C-N 3.27Å; D226-S228 VanDerWaalsContact CG-C 3.47Å; D226-S228 VanDerWaalsContact OD1-C 3.27Å; D226-S228 WeakPolarHBondContact OD1-CA 3.38Å; D226-S228 PolarHBondContact OD1-N 2.9Å; D226-S228 PolarHBondContact OD1-OG 2.95Å; D226-Q230 WeakPolarHBondContact OD2-CB 3.31Å; D226-Q230 WeakPolarHBondContact OD2-CG 3.2Å; D226-Q230 PolarHBondContact OD2-N 3.5Å; D226-Q230 PolarHBondContact OD2-NE2 2.73Å
227	E	62.4	Low	82.7	Confident	119 Å²	119	50.9 Å²	50.9	56%	0.556	26%	0.264	S	S	*	.	S	Bend	trans	-68.7	-26.8	169.5	-68.9	-166.7	164.6	0	0	112.2	E132 R135	E132-E227 HydrophobicContact CG-CG 4.22Å; E132-E227 PolarHBondContact OE1-N 3.25Å; R135-E227 IonicContact CZ-OE1 2.64Å; R135-E227 VanDerWaalsContact CZ-OE1 3.25Å; R135-E227 IonicContact NH1-OE1 3.59Å; R135-E227 PolarHBondContact NH1-OE1 3.12Å; R135-E227 IonicContact NH2-OE1 2.85Å; R135-E227 PolarHBondContact NH2-OE1 2.96Å
228	S	57.2	Low	82.3	Confident	86 Å²	86	50.2 Å²	50.2	60%	0.601	26%	0.259	S	S	*	.	S	Bend	trans	-130.2	99.1	177.8	56.8	0	0	0	0	111.3	D226 Q230	D226-S228 VanDerWaalsContact C-N 3.27Å; D226-S228 VanDerWaalsContact CG-C 3.47Å; D226-S228 VanDerWaalsContact OD1-C 3.27Å; D226-S228 WeakPolarHBondContact OD1-CA 3.38Å; D226-S228 PolarHBondContact OD1-N 2.9Å; D226-S228 PolarHBondContact OD1-OG 2.95Å; S228-Q230 PolarHBondContact O-N 3.04Å
229	I	64.3	Low	81.9	Confident	96 Å²	96	53.3 Å²	53.3	49%	0.492	29%	0.285	S	S	.	.			trans	-34.3	100.6	-177.1	-60.9	162.7	0	0	0	113.5	K231 I267	I229-K231 HydrophobicContact CG2-CG 4.02Å; I229-K231 PolarHBondContact O-N 2.86Å; I229-K231 VanDerWaalsContact O-N 3.1Å; I229-I267 HydrophobicContact CB-CD1 4.18Å; I229-I267 HydrophobicContact CD1-CD1 3.9Å; I229-I267 HydrophobicContact CG1-CD1 3.88Å; I229-I267 HydrophobicContact CG2-CD1 3.2Å
230	Q	65.4	Low	81.5	Confident	96 Å²	96	59.4 Å²	59.4	45%	0.449	31%	0.314	S	S	.	.			trans	-76.6	91.4	165.3	-77.4	172.8	67.1	0	0	109.8	D226 S228 K232 L233	D226-Q230 WeakPolarHBondContact OD2-CB 3.31Å; D226-Q230 WeakPolarHBondContact OD2-CG 3.2Å; D226-Q230 PolarHBondContact OD2-N 3.5Å; D226-Q230 PolarHBondContact OD2-NE2 2.73Å; S228-Q230 PolarHBondContact O-N 3.04Å; Q230-K232 PolarHBondContact O-N 3.09Å; Q230-L233 HydrophobicContact CB-CB 4.33Å
231	K	68.2	Low	81	Confident	162 Å²	162	60.8 Å²	60.8	70%	0.704	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	138	175.7	-64	-176.6	-179.3	178.3	0	109.7	I229 L233	I229-K231 HydrophobicContact CG2-CG 4.02Å; I229-K231 PolarHBondContact O-N 2.86Å; I229-K231 VanDerWaalsContact O-N 3.1Å; K231-L233 VanDerWaalsContact C-N 3.3Å; K231-L233 PolarHBondContact O-N 2.92Å
232	K	79.2	Confident	80.8	Confident	130 Å²	130	65.3 Å²	65.3	57%	0.565	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	1.1	173.6	-50.4	-178.9	176.6	-174.7	0	117.3	D205 Q230 S234 L235 S236	D205-K232 WeakPolarHBondContact OD2-CA 3.39Å; D205-K232 PolarHBondContact OD2-N 2.93Å; Q230-K232 PolarHBondContact O-N 3.09Å; K232-S234 PolarHBondContact O-N 2.95Å; K232-L235 HydrophobicContact CB-CB 4.43Å; K232-L235 PolarHBondContact O-N 3.31Å; K232-L235 VanDerWaalsContact O-N 3.15Å; K232-S236 WeakPolarHBondContact O-CB 3.47Å; K232-S236 PolarHBondContact O-N 2.98Å; K232-S236 PolarHBondContact O-OG 3.29Å; K232-S236 VanDerWaalsContact O-OG 3.08Å
233	L	82.5	Confident	80.8	Confident	50 Å²	50	65.2 Å²	65.2	26%	0.262	35%	0.349	S	S	.	.	H	α-helix	trans	-60.3	-49.7	-179.1	-178	59.8	0	0	0	112.1	M124 L224 Q230 K231 L235 S236 R237	M124-L233 HydrophobicContact SD-CD1 4.49Å; M124-L233 HydrophobicContact SD-CD2 4.13Å; M124-L233 HydrophobicContact SD-CG 3.84Å; L224-L233 HydrophobicContact CD1-CD2 4.4Å; L224-L233 HydrophobicContact CD2-CD2 3.76Å; Q230-L233 HydrophobicContact CB-CB 4.33Å; K231-L233 VanDerWaalsContact C-N 3.3Å; K231-L233 PolarHBondContact O-N 2.92Å; L233-L235 VanDerWaalsContact C-N 3.29Å; L233-L235 PolarHBondContact O-N 3.1Å; L233-S236 PolarHBondContact O-N 3.45Å; L233-R237 PolarHBondContact O-N 3.43Å
234	S	80.9	Confident	81.1	Confident	20 Å²	20	71.8 Å²	71.8	14%	0.14	37%	0.374	C	S	.	.	H	α-helix	trans	-65.2	-31.4	175.4	51	0	0	0	0	113.3	T203 K232 A238	T203-S234 WeakPolarHBondContact CB-OG 3.31Å; T203-S234 PolarHBondContact OG1-OG 3.42Å; K232-S234 PolarHBondContact O-N 2.95Å; S234-A238 WeakPolarHBondContact O-CB 3.15Å; S234-A238 PolarHBondContact O-N 3.1Å
235	L	85.2	Confident	81.6	Confident	47 Å²	47	72 Å²	72	25%	0.246	38%	0.377	C	S	.	.	H	α-helix	trans	-71.2	-43.1	176	-177.7	66.1	0	0	0	111.6	T203 D205 K232 L233 R237 A238 A239 T245	T203-L235 HydrophobicContact CG2-CB 4.26Å; T203-L235 HydrophobicContact CG2-CD1 3.89Å; D205-L235 HydrophobicContact CB-CB 4.16Å; D205-L235 HydrophobicContact CB-CD2 3.94Å; K232-L235 HydrophobicContact CB-CB 4.43Å; K232-L235 PolarHBondContact O-N 3.31Å; K232-L235 VanDerWaalsContact O-N 3.15Å; L233-L235 VanDerWaalsContact C-N 3.29Å; L233-L235 PolarHBondContact O-N 3.1Å; L235-R237 VanDerWaalsContact C-N 3.31Å; L235-A238 PolarHBondContact O-N 2.88Å; L235-A239 WeakPolarHBondContact O-CB 3.22Å; L235-A239 PolarHBondContact O-N 3.22Å; L235-T245 HydrophobicContact CD1-CG2 4.16Å
236	S	88.1	Confident	82.3	Confident	60 Å²	60	71.6 Å²	71.6	42%	0.42	38%	0.375	S	S	.	.	H	α-helix	trans	-60.2	-44.1	173.6	-63.8	0	0	0	0	110.5	K232 L233 A238 A239 E240	K232-S236 WeakPolarHBondContact O-CB 3.47Å; K232-S236 PolarHBondContact O-N 2.98Å; K232-S236 PolarHBondContact O-OG 3.29Å; K232-S236 VanDerWaalsContact O-OG 3.08Å; L233-S236 PolarHBondContact O-N 3.45Å; S236-A238 PolarHBondContact O-N 3.13Å; S236-A239 WeakPolarHBondContact O-CB 3.25Å; S236-A239 PolarHBondContact O-N 3.2Å; S236-A239 VanDerWaalsContact O-N 3.16Å; S236-E240 WeakPolarHBondContact O-CG 3.36Å; S236-E240 PolarHBondContact O-N 2.57Å
237	R	87.8	Confident	83.4	Confident	60 Å²	60	71.4 Å²	71.4	23%	0.226	37%	0.371	C	S	.	.	H	α-helix	trans	-59.7	-46.3	175.3	-176.7	55.8	173.8	171.2	1.4	112.1	D121 M124 Y201 L233 L235 A239 E240 L241	D121-R237 IonicContact OD2-NE 2.7Å; M124-R237 HydrophobicContact SD-CB 4.27Å; M124-R237 HydrophobicContact SD-CG 4.41Å; Y201-R237 HydrophobicContact CE2-CG 4.44Å; L233-R237 PolarHBondContact O-N 3.43Å; L235-R237 VanDerWaalsContact C-N 3.31Å; R237-A239 VanDerWaalsContact C-N 3.28Å; R237-A239 PolarHBondContact O-N 3.4Å; R237-E240 IonicContact NH1-OE2 2.81Å; R237-E240 PolarHBondContact NH1-OE2 3.15Å; R237-E240 WeakPolarHBondContact O-CB 3.3Å; R237-E240 PolarHBondContact O-N 2.73Å; R237-L241 HydrophobicContact CG-CD1 4.2Å; R237-L241 VanDerWaalsContact O-CG 3.3Å; R237-L241 WeakPolarHBondContact O-CG 3.31Å; R237-L241 PolarHBondContact O-N 2.91Å
238	A	88.2	Confident	85	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-63.4	-34.2	176.5	0	0	0	0	0	112.9	Y201 S234 L235 S236 L241 S242 V243 T245	Y201-A238 HydrophobicContact CD1-CB 4.17Å; Y201-A238 HydrophobicContact CD2-CB 4.1Å; Y201-A238 HydrophobicContact CG-CB 3.73Å; S234-A238 WeakPolarHBondContact O-CB 3.15Å; S234-A238 PolarHBondContact O-N 3.1Å; L235-A238 PolarHBondContact O-N 2.88Å; S236-A238 PolarHBondContact O-N 3.13Å; A238-L241 CarbonylContact O-C 3.57Å; A238-L241 PolarHBondContact O-N 3.47Å; A238-S242 PolarHBondContact O-N 2.85Å; A238-V243 HydrophobicContact CB-CG2 4.04Å; A238-V243 PolarHBondContact O-N 3.02Å; A238-T245 HydrophobicContact CB-CG2 3.37Å
239	A	89.6	Confident	86.9	Confident	68 Å²	68	62.6 Å²	62.6	56%	0.562	32%	0.321	S	S	*	.	H	α-helix	trans	-68.2	-41	174.4	0	0	0	0	0	112.2	L235 S236 R237 L241 S242	L235-A239 WeakPolarHBondContact O-CB 3.22Å; L235-A239 PolarHBondContact O-N 3.22Å; S236-A239 WeakPolarHBondContact O-CB 3.25Å; S236-A239 PolarHBondContact O-N 3.2Å; S236-A239 VanDerWaalsContact O-N 3.16Å; R237-A239 VanDerWaalsContact C-N 3.28Å; R237-A239 PolarHBondContact O-N 3.4Å; A239-L241 VanDerWaalsContact C-N 3.29Å; A239-L241 PolarHBondContact O-N 3.16Å; A239-S242 PolarHBondContact O-N 2.7Å
240	E	89.5	Confident	88.4	Confident	130 Å²	130	58.3 Å²	58.3	61%	0.607	30%	0.299	S	S	*	.	H	α-helix	trans	-58.7	-43.1	172.1	-70.9	167	-168.5	0	0	111.4	S236 R237 S242	S236-E240 WeakPolarHBondContact O-CG 3.36Å; S236-E240 PolarHBondContact O-N 2.57Å; R237-E240 IonicContact NH1-OE2 2.81Å; R237-E240 PolarHBondContact NH1-OE2 3.15Å; R237-E240 WeakPolarHBondContact O-CB 3.3Å; R237-E240 PolarHBondContact O-N 2.73Å; E240-S242 PolarHBondContact O-N 3.4Å
241	L	88.3	Confident	89.8	Confident	32 Å²	32	57.5 Å²	57.5	17%	0.168	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-8.6	176.9	-65.6	175.4	0	0	0	113	L191 Y201 R237 A238 A239 V243	L191-L241 HydrophobicContact CD1-CB 3.91Å; L191-L241 HydrophobicContact CD1-CD2 3.79Å; L191-L241 HydrophobicContact CD1-CG 4.39Å; L191-L241 WeakPolarHBondContact CD1-O 3.33Å; L191-L241 HydrophobicContact CG-CD2 4.38Å; Y201-L241 HydrophobicContact CD2-CD1 4.35Å; Y201-L241 HydrophobicContact CE2-CD1 4.31Å; R237-L241 HydrophobicContact CG-CD1 4.2Å; R237-L241 VanDerWaalsContact O-CG 3.3Å; R237-L241 WeakPolarHBondContact O-CG 3.31Å; R237-L241 PolarHBondContact O-N 2.91Å; A238-L241 CarbonylContact O-C 3.57Å; A238-L241 PolarHBondContact O-N 3.47Å; A239-L241 VanDerWaalsContact C-N 3.29Å; A239-L241 PolarHBondContact O-N 3.16Å; L241-V243 HydrophobicContact CB-CG1 4.19Å; L241-V243 HydrophobicContact CB-CG2 4.08Å; L241-V243 PolarHBondContact O-N 3Å
242	S	92.3	Very high	91.1	Very high	101 Å²	101	53.5 Å²	53.5	71%	0.706	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	36.8	-178	-58.9	0	0	0	0	113.6	A238 A239 E240	A238-S242 PolarHBondContact O-N 2.85Å; A239-S242 PolarHBondContact O-N 2.7Å; E240-S242 PolarHBondContact O-N 3.4Å
243	V	94.3	Very high	91.8	Very high	16 Å²	16	50 Å²	50	10%	0.097	27%	0.265	C	S	.	.			trans	-101.8	159	-179.8	-66.1	0	0	0	0	112.1	L191 V199 Y201 A238 L241	L191-V243 HydrophobicContact CD1-CG1 4.33Å; L191-V243 HydrophobicContact CD2-CG1 3.67Å; L191-V243 HydrophobicContact CG-CG1 4.41Å; V199-V243 HydrophobicContact CB-CG1 4.08Å; V199-V243 HydrophobicContact CG1-CB 4.21Å; V199-V243 HydrophobicContact CG1-CG1 3.91Å; Y201-V243 HydrophobicContact CD2-CG2 4.43Å; A238-V243 HydrophobicContact CB-CG2 4.04Å; A238-V243 PolarHBondContact O-N 3.02Å; L241-V243 HydrophobicContact CB-CG1 4.19Å; L241-V243 HydrophobicContact CB-CG2 4.08Å; L241-V243 PolarHBondContact O-N 3Å
244	R	96.1	Very high	92.4	Very high	138 Å²	138	48.1 Å²	48.1	52%	0.521	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	144.4	172.1	-68.2	-173.4	-69.5	145.2	-3.3	109.7	E197 V200 Y201	E197-R244 PolarHBondContact O-NE 2.89Å; E197-R244 PolarHBondContact O-NH2 2.87Å; V200-R244 CarbonylContact C-O 3.58Å; V200-R244 WeakPolarHBondContact CA-O 3.49Å; V200-R244 HydrophobicContact CG2-CB 4.2Å; Y201-R244 PolarHBondContact N-O 3.34Å
245	T	97.2	Very high	93.1	Very high	44 Å²	44	50.1 Å²	50.1	27%	0.27	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	147.4	177	60.3	0	0	0	0	110.9	Y201 T203 L235 A238	Y201-T245 VanDerWaalsContact O-CA 3.29Å; Y201-T245 WeakPolarHBondContact O-CA 3.49Å; T203-T245 HydrophobicContact CG2-CG2 4.42Å; L235-T245 HydrophobicContact CD1-CG2 4.16Å; A238-T245 HydrophobicContact CB-CG2 3.37Å
246	A	97.6	Very high	93.5	Very high	7 Å²	7	54.5 Å²	54.5	6%	0.058	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	151.2	172.2	0	0	0	0	0	110.6	V200 Y201 L202 T203 A206 E208 L210	V200-A246 HydrophobicContact CG1-CB 3.89Å; Y201-A246 PolarHBondContact O-N 3.17Å; Y201-A246 VanDerWaalsContact O-N 3.13Å; L202-A246 VanDerWaalsContact CA-O 3.28Å; L202-A246 WeakPolarHBondContact CA-O 3.44Å; L202-A246 HydrophobicContact CD2-CB 4.03Å; T203-A246 PolarHBondContact N-O 2.9Å; A206-A246 VanDerWaalsContact CB-C 3.44Å; E208-A246 CarbonylContact O-C 3.55Å; E208-A246 WeakPolarHBondContact O-CA 3.5Å; L210-A246 HydrophobicContact CB-CB 4.03Å; L210-A246 HydrophobicContact CD1-CB 4.15Å
247	R	96.8	Very high	93.5	Very high	37 Å²	37	57.3 Å²	57.3	14%	0.14	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-105.1	159	170.4	59.7	168.6	177.8	77.6	1.2	110.2	T203 A206 E208 A209 L210 D251 E252	T203-R247 WeakPolarHBondContact O-CA 3.48Å; T203-R247 VanDerWaalsContact O-CB 3.24Å; T203-R247 WeakPolarHBondContact O-CB 3.36Å; A206-R247 HydrophobicContact CB-CB 4.14Å; A206-R247 VanDerWaalsContact O-CD 3.24Å; A206-R247 WeakPolarHBondContact O-CD 3.38Å; A206-R247 WeakPolarHBondContact O-CG 3.35Å; E208-R247 WeakPolarHBondContact O-CG 3.32Å; E208-R247 PolarHBondContact O-N 2.91Å; A209-R247 WeakPolarHBondContact CA-O 3.4Å; L210-R247 WeakPolarHBondContact CB-O 3.44Å; L210-R247 PolarHBondContact N-O 3.04Å; R247-D251 IonicContact CZ-OD2 3.72Å; R247-D251 IonicContact NH1-OD2 3.71Å; R247-E252 IonicContact CZ-OE1 2.57Å; R247-E252 IonicContact CZ-OE2 3.36Å; R247-E252 IonicContact NH1-OE1 2.85Å; R247-E252 PolarHBondContact NH1-OE1 3.12Å; R247-E252 IonicContact NH1-OE2 3.35Å; R247-E252 PolarHBondContact NH1-OE2 3.36Å; R247-E252 IonicContact NH2-OE1 3.25Å; R247-E252 PolarHBondContact NH2-OE1 2.94Å; R247-E252 IonicContact NH2-OE2 3.2Å
248	L	97.4	Very high	93.3	Very high	21 Å²	21	61.8 Å²	61.8	11%	0.11	32%	0.317	C	S	.	.			trans	-60.7	146.4	166.9	-68.6	178.5	0	0	0	110.2	V250 L268 V273 I276 L277 W286	L248-V250 HydrophobicContact CB-CG2 4.07Å; L248-V250 PolarHBondContact O-N 2.75Å; L248-L268 HydrophobicContact CD1-CD1 3.81Å; L248-V273 HydrophobicContact CD1-CG1 4.21Å; L248-V273 HydrophobicContact CD1-CG2 4.29Å; L248-V273 HydrophobicContact CD2-CG1 4.48Å; L248-I276 HydrophobicContact CD1-CD1 3.89Å; L248-I276 HydrophobicContact CD1-CG2 4.42Å; L248-I276 HydrophobicContact CD2-CG2 4.25Å; L248-L277 HydrophobicContact CD2-CD2 4.24Å; L248-W286 HydrophobicContact CD2-CH2 4.27Å; L248-W286 HydrophobicContact CD2-CZ3 3.98Å
249	P	96.6	Very high	93	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.33	C	S	.	.	S	Bend	trans	-80.2	51.6	-175.8	35.1	-37.7	0	0	0	111.9	A209 D251 E252 Y253 W286	A209-P249 HydrophobicContact CB-CB 4.09Å; P249-D251 VanDerWaalsContact C-N 3.33Å; P249-E252 WeakPolarHBondContact CA-OE2 3.4Å; P249-E252 HydrophobicContact CB-CB 4.29Å; P249-E252 HydrophobicContact CB-CG 4.46Å; P249-E252 WeakPolarHBondContact CB-OE2 3.15Å; P249-Y253 HydrophobicContact CB-CD2 3.76Å; P249-Y253 HydrophobicContact CB-CE2 3.84Å; P249-Y253 HydrophobicContact CG-CD2 3.96Å; P249-Y253 HydrophobicContact CG-CE2 4.01Å; P249-Y253 VanDerWaalsContact O-CD2 3.26Å; P249-Y253 WeakPolarHBondContact O-CD2 3.25Å; P249-Y253 PolarHBondContact O-N 3.28Å; P249-W286 HydrophobicContact CG-CB 4.21Å; P249-W286 HydrophobicContact CG-CD2 3.39Å; P249-W286 HydrophobicContact CG-CE3 3.71Å; P249-W286 HydrophobicContact CG-CG 3.61Å; P249-W286 HydrophobicContact CG-CZ2 4.34Å; P249-W286 HydrophobicContact CG-CZ3 4.31Å
250	V	95.6	Very high	92.5	Very high	5 Å²	5	66.6 Å²	66.6	3%	0.03	35%	0.35	C	S	.	.	H	α-helix	trans	-68.4	-36.2	-178	178.6	0	0	0	0	110.8	L248 M254 K266 L290 F294 Y300	L248-V250 HydrophobicContact CB-CG2 4.07Å; L248-V250 PolarHBondContact O-N 2.75Å; V250-M254 HydrophobicContact CG1-CB 4.13Å; V250-M254 HydrophobicContact CG1-CG 4.25Å; V250-M254 HydrophobicContact CG1-SD 3.96Å; V250-M254 WeakPolarHBondContact O-CA 3.26Å; V250-M254 VanDerWaalsContact O-CB 3.24Å; V250-M254 WeakPolarHBondContact O-CB 3.38Å; V250-M254 PolarHBondContact O-N 3.5Å; V250-K266 HydrophobicContact CG1-CD 4.4Å; V250-K266 HydrophobicContact CG1-CG 4.11Å; V250-L290 HydrophobicContact CG2-CD2 4.32Å; V250-F294 HydrophobicContact CG1-CE2 4.01Å; V250-F294 HydrophobicContact CG1-CZ 4.17Å; V250-F294 HydrophobicContact CG2-CD2 4.29Å; V250-F294 HydrophobicContact CG2-CE2 3.71Å; V250-Y300 HydrophobicContact CG1-CD1 4.3Å; V250-Y300 HydrophobicContact CG1-CG 4.42Å
251	D	94.3	Very high	92	Very high	79 Å²	79	69.4 Å²	69.4	42%	0.422	36%	0.36	S	S	.	.	H	α-helix	trans	-71.2	-31.7	-178.8	-76.9	-48.1	0	0	0	113.1	R247 P249 K266	R247-D251 IonicContact CZ-OD2 3.72Å; R247-D251 IonicContact NH1-OD2 3.71Å; P249-D251 VanDerWaalsContact C-N 3.33Å; D251-K266 WeakPolarHBondContact OD1-CE 3.45Å; D251-K266 IonicContact OD1-NZ 2.68Å; D251-K266 PolarHBondContact OD1-NZ 3.32Å; D251-K266 IonicContact OD2-NZ 3.39Å; D251-K266 PolarHBondContact OD2-NZ 3.3Å
252	E	95.1	Very high	91.8	Very high	79 Å²	79	74.2 Å²	74.2	37%	0.369	39%	0.385	S	S	.	.	H	α-helix	trans	-77.3	-32.9	-179.4	-64.5	72.5	-164.8	0	0	111.5	A209 R247 P249 N306	A209-E252 VanDerWaalsContact CB-OE1 3.29Å; A209-E252 WeakPolarHBondContact CB-OE1 3.43Å; R247-E252 IonicContact CZ-OE1 2.57Å; R247-E252 IonicContact CZ-OE2 3.36Å; R247-E252 IonicContact NH1-OE1 2.85Å; R247-E252 PolarHBondContact NH1-OE1 3.12Å; R247-E252 IonicContact NH1-OE2 3.35Å; R247-E252 PolarHBondContact NH1-OE2 3.36Å; R247-E252 IonicContact NH2-OE1 3.25Å; R247-E252 PolarHBondContact NH2-OE1 2.94Å; R247-E252 IonicContact NH2-OE2 3.2Å; P249-E252 WeakPolarHBondContact CA-OE2 3.4Å; P249-E252 HydrophobicContact CB-CB 4.29Å; P249-E252 HydrophobicContact CB-CG 4.46Å; P249-E252 WeakPolarHBondContact CB-OE2 3.15Å; E252-N306 PolarHBondContact O-ND2 3.07Å
253	Y	95.3	Very high	91.5	Very high	55 Å²	55	74.3 Å²	74.3	22%	0.216	37%	0.373	C	S	.	.	H	α-helix	trans	-110.8	-18.4	-171.4	-68.9	-92.4	0	0	0	114.7	P249 W286 T287 L290 S303 N306	P249-Y253 HydrophobicContact CB-CD2 3.76Å; P249-Y253 HydrophobicContact CB-CE2 3.84Å; P249-Y253 HydrophobicContact CG-CD2 3.96Å; P249-Y253 HydrophobicContact CG-CE2 4.01Å; P249-Y253 VanDerWaalsContact O-CD2 3.26Å; P249-Y253 WeakPolarHBondContact O-CD2 3.25Å; P249-Y253 PolarHBondContact O-N 3.28Å; Y253-W286 HydrophobicContact CD1-CB 4.06Å; Y253-W286 HydrophobicContact CD2-CB 3.9Å; Y253-W286 HydrophobicContact CD2-CG 4.48Å; Y253-W286 HydrophobicContact CE1-CB 3.86Å; Y253-W286 HydrophobicContact CE2-CB 3.7Å; Y253-W286 AromaticContact CE2-CD1 3.88Å; Y253-W286 AromaticContact CE2-CG 3.98Å; Y253-W286 HydrophobicContact CE2-CG 3.98Å; Y253-W286 HydrophobicContact CG-CB 4.08Å; Y253-W286 AromaticContact CZ-CD1 3.91Å; Y253-T287 WeakPolarHBondContact CD1-OG1 3.46Å; Y253-L290 HydrophobicContact CD2-CD1 4.49Å; Y253-L290 HydrophobicContact CG-CD1 4.27Å; Y253-S303 PolarHBondContact O-N 2.74Å; Y253-N306 WeakPolarHBondContact CA-ND2 3.31Å; Y253-N306 HydrophobicContact CD1-CB 4.48Å
254	M	94.8	Very high	91.3	Very high	12 Å²	12	75.7 Å²	75.7	6%	0.059	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	147.3	-172	-47.8	-171.7	77.8	0	0	113.5	V250 L290 F294 Y300 V301 I302	V250-M254 HydrophobicContact CG1-CB 4.13Å; V250-M254 HydrophobicContact CG1-CG 4.25Å; V250-M254 HydrophobicContact CG1-SD 3.96Å; V250-M254 WeakPolarHBondContact O-CA 3.26Å; V250-M254 VanDerWaalsContact O-CB 3.24Å; V250-M254 WeakPolarHBondContact O-CB 3.38Å; V250-M254 PolarHBondContact O-N 3.5Å; M254-L290 HydrophobicContact CG-CB 4.45Å; M254-L290 HydrophobicContact CG-CD1 4.11Å; M254-L290 HydrophobicContact SD-CB 3.98Å; M254-L290 HydrophobicContact SD-CD1 4.27Å; M254-L290 HydrophobicContact SD-CD2 4.25Å; M254-L290 HydrophobicContact SD-CG 4.4Å; M254-F294 HydrophobicContact CE-CB 3.94Å; M254-F294 HydrophobicContact CE-CD1 3.72Å; M254-F294 HydrophobicContact CE-CD2 4.5Å; M254-F294 HydrophobicContact CE-CE1 4.34Å; M254-F294 HydrophobicContact CE-CG 3.8Å; M254-F294 HydrophobicContact SD-CB 4.1Å; M254-F294 HydrophobicContact SD-CD1 3.99Å; M254-F294 HydrophobicContact SD-CD2 3.78Å; M254-F294 HydrophobicContact SD-CE1 4.33Å; M254-F294 HydrophobicContact SD-CE2 4.16Å; M254-F294 HydrophobicContact SD-CG 3.68Å; M254-F294 HydrophobicContact SD-CZ 4.42Å; M254-Y300 HydrophobicContact CB-CD1 4.33Å; M254-V301 CarbonylContact C-O 3.52Å; M254-V301 WeakPolarHBondContact CA-O 3.47Å; M254-V301 WeakPolarHBondContact CB-O 3.5Å; M254-I302 HydrophobicContact CE-CD1 4.46Å; M254-I302 HydrophobicContact CG-CD1 4.22Å
255	V	94.6	Very high	91	Very high	61 Å²	61	69.6 Å²	69.6	37%	0.37	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	154	176	-63.3	0	0	0	0	111.1	K257 Y300 V301	V255-K257 PolarHBondContact O-N 3.39Å; V255-Y300 WeakPolarHBondContact O-CA 3.27Å; V255-V301 HydrophobicContact CG2-CG2 3.96Å; V255-V301 PolarHBondContact N-O 3.04Å; V255-V301 PolarHBondContact O-N 3.49Å
256	K	93.6	Very high	90.7	Very high	139 Å²	139	71.1 Å²	71.1	60%	0.604	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	122.9	176	-69.8	-177.7	-176	175.3	0	109.7	Y300	K256-Y300 HydrophobicContact CG-CD1 4.27Å; K256-Y300 HydrophobicContact CG-CE1 3.66Å
257	K	89.2	Confident	90.4	Very high	120 Å²	120	73.4 Å²	73.4	52%	0.522	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-83.8	130.7	168.6	-175.9	178.5	-179	171.3	0	109.2	V255 N259 H264 G299 V301	V255-K257 PolarHBondContact O-N 3.39Å; K257-N259 PolarHBondContact O-N 3.35Å; K257-N259 PolarHBondContact O-ND2 2.79Å; K257-H264 PolarHBondContact O-NE2 2.7Å; K257-G299 PolarHBondContact N-O 3.28Å; K257-V301 HydrophobicContact CB-CG1 4.03Å; K257-V301 HydrophobicContact CB-CG2 4.12Å; K257-V301 HydrophobicContact CD-CG1 3.73Å; K257-V301 HydrophobicContact CG-CG1 4.32Å
258	N	83.4	Confident	90.2	Very high	154 Å²	154	72.9 Å²	72.9	82%	0.824	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-61.6	123.3	168	-74.7	-14.3	0	0	0	109.2
259	N	81.6	Confident	90.1	Very high	51 Å²	51	72.9 Å²	72.9	27%	0.273	37%	0.374	S	S	.	.			trans	-135.8	150.6	179.5	68.6	62.6	0	0	0	110.5	K257 K261 N262 F263	K257-N259 PolarHBondContact O-N 3.35Å; K257-N259 PolarHBondContact O-ND2 2.79Å; N259-K261 PolarHBondContact O-N 3.35Å; N259-K261 PolarHBondContact OD1-N 3.44Å; N259-N262 PolarHBondContact O-N 2.85Å; N259-N262 WeakPolarHBondContact OD1-CA 3.41Å; N259-N262 PolarHBondContact OD1-N 3.35Å; N259-F263 PolarHBondContact ND2-O 3.35Å; N259-F263 PolarHBondContact OD1-N 3.22Å
260	A	78.8	Confident	90	Very high	118 Å²	118	73.3 Å²	73.3	98%	0.975	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-19.8	-175	0	0	0	0	0	114
261	K	80	Confident	90.1	Very high	189 Å²	189	73.7 Å²	73.7	82%	0.822	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-3.2	-178.8	-62.1	-175.2	-179.5	-178.1	0	113.2	N259 F263	N259-K261 PolarHBondContact O-N 3.35Å; N259-K261 PolarHBondContact OD1-N 3.44Å; K261-F263 HydrophobicContact CB-CB 4.3Å; K261-F263 PolarHBondContact O-N 3.09Å; K261-F263 VanDerWaalsContact O-N 3.08Å
262	N	82.6	Confident	90.2	Very high	132 Å²	132	72.1 Å²	72.1	71%	0.706	37%	0.368	S	S	*	.			trans	42.3	39.5	-170.4	-161.9	29	0	0	0	113.7	N259	N259-N262 PolarHBondContact O-N 2.85Å; N259-N262 WeakPolarHBondContact OD1-CA 3.41Å; N259-N262 PolarHBondContact OD1-N 3.35Å
263	F	86.6	Confident	90.3	Very high	104 Å²	104	69.3 Å²	69.3	46%	0.456	36%	0.357	S	S	.	.			trans	-105.9	125.7	-176.2	179.6	-98.2	0	0	0	110.7	N259 K261	N259-F263 PolarHBondContact ND2-O 3.35Å; N259-F263 PolarHBondContact OD1-N 3.22Å; K261-F263 HydrophobicContact CB-CB 4.3Å; K261-F263 PolarHBondContact O-N 3.09Å; K261-F263 VanDerWaalsContact O-N 3.08Å
264	H	89.4	Confident	90.5	Very high	45 Å²	45	66.7 Å²	66.7	21%	0.208	35%	0.346	C	S	.	.			trans	-136.9	122.6	178.3	-57.2	87.5	0	0	0	109.5	K257 K298 G299 Y300	K257-H264 PolarHBondContact O-NE2 2.7Å; H264-K298 WeakPolarHBondContact CA-O 3.31Å; H264-G299 PolarHBondContact CD2-O 3.02Å; H264-Y300 HydrophobicContact CB-CE2 3.85Å
265	S	90.6	Very high	90.7	Very high	10 Å²	10	66.6 Å²	66.6	7%	0.07	35%	0.346	C	S	.	.			trans	-140.5	130.2	178.4	177	0	0	0	0	110.8	I267 K298	S265-I267 PolarHBondContact OG-N 3.11Å; S265-K298 PolarHBondContact N-O 3.27Å; S265-K298 WeakPolarHBondContact O-CB 3.48Å
266	K	90.9	Very high	90.8	Very high	75 Å²	75	63.7 Å²	63.7	33%	0.326	33%	0.328	S	S	.	.			trans	-93.9	-4.2	174.6	-57.4	176.5	-174.4	166.6	0	112.8	V250 D251 Y300	V250-K266 HydrophobicContact CG1-CD 4.4Å; V250-K266 HydrophobicContact CG1-CG 4.11Å; D251-K266 WeakPolarHBondContact OD1-CE 3.45Å; D251-K266 IonicContact OD1-NZ 2.68Å; D251-K266 PolarHBondContact OD1-NZ 3.32Å; D251-K266 IonicContact OD2-NZ 3.39Å; D251-K266 PolarHBondContact OD2-NZ 3.3Å; K266-Y300 WeakPolarHBondContact CE-OH 3.49Å; K266-Y300 HydrophobicContact CG-CE1 4.43Å; K266-Y300 HydrophobicContact CG-CE2 3.85Å
267	I	90.7	Very high	91.1	Very high	56 Å²	56	57.1 Å²	57.1	29%	0.287	30%	0.3	S	S	.	.			trans	-82	124.7	-177.7	-58.2	-178.1	0	0	0	108	P204 I229 S265 K298	P204-I267 HydrophobicContact CB-CG1 4.2Å; P204-I267 HydrophobicContact CG-CG1 4.09Å; I229-I267 HydrophobicContact CB-CD1 4.18Å; I229-I267 HydrophobicContact CD1-CD1 3.9Å; I229-I267 HydrophobicContact CG1-CD1 3.88Å; I229-I267 HydrophobicContact CG2-CD1 3.2Å; S265-I267 PolarHBondContact OG-N 3.11Å; I267-K298 WeakPolarHBondContact O-CE 3.36Å; I267-K298 PolarHBondContact O-NZ 2.93Å
268	L	93.2	Very high	91.5	Very high	25 Å²	25	52.1 Å²	52.1	13%	0.131	28%	0.279	C	S	.	.			trans	-115.9	155.3	-175.8	-61.3	-176.6	0	0	0	110.6	L248 Q272 V273 I276 F294 P295 K298	L248-L268 HydrophobicContact CD1-CD1 3.81Å; L268-Q272 HydrophobicContact CB-CB 4.09Å; L268-V273 HydrophobicContact CB-CG2 3.74Å; L268-V273 HydrophobicContact CD1-CG2 4.44Å; L268-I276 HydrophobicContact CD1-CD1 3.42Å; L268-I276 VanDerWaalsContact CD1-CD1 3.42Å; L268-F294 HydrophobicContact CD1-CD2 3.9Å; L268-F294 HydrophobicContact CD1-CE2 3.94Å; L268-F294 HydrophobicContact CD2-CD2 4.2Å; L268-F294 HydrophobicContact CD2-CE2 3.87Å; L268-F294 HydrophobicContact CD2-CZ 4.19Å; L268-F294 HydrophobicContact CG-CE2 4.2Å; L268-P295 HydrophobicContact CD2-CG 4.02Å; L268-K298 HydrophobicContact CD2-CG 4.41Å
269	A	94.7	Very high	92.1	Very high	21 Å²	21	46.1 Å²	46.1	17%	0.174	25%	0.246	C	C	.	.			trans	-68.7	156	170.5	0	0	0	0	0	110.8	Q139 N271 Q272 V273	Q139-A269 HydrophobicContact CG-CB 4.36Å; A269-N271 VanDerWaalsContact C-N 3.27Å; A269-N271 PolarHBondContact O-N 3.18Å; A269-Q272 HydrophobicContact CB-CB 4.45Å; A269-Q272 HydrophobicContact CB-CG 4.11Å; A269-Q272 WeakPolarHBondContact O-CB 3.3Å; A269-Q272 PolarHBondContact O-N 3.04Å; A269-V273 PolarHBondContact O-N 3.39Å
270	V	96.1	Very high	92.8	Very high	9 Å²	9	44.6 Å²	44.6	6%	0.055	24%	0.237	C	C	.	.	H	α-helix	trans	-52.2	-47.2	-179.7	177.8	0	0	0	0	111.2	V120 L136 L143 L221 G222 Q272 V273 F274	V120-V270 HydrophobicContact CG1-CG1 4.13Å; V120-V270 HydrophobicContact CG2-CG1 4.14Å; L136-V270 HydrophobicContact CD1-CG2 4.06Å; L143-V270 HydrophobicContact CD1-CG1 3.82Å; L221-V270 HydrophobicContact CB-CG1 4.31Å; L221-V270 HydrophobicContact CD1-CG1 3.87Å; G222-V270 WeakPolarHBondContact O-CG2 3.5Å; V270-Q272 VanDerWaalsContact C-N 3.3Å; V270-Q272 PolarHBondContact O-N 3.06Å; V270-V273 PolarHBondContact O-N 3.32Å; V270-F274 PolarHBondContact O-N 2.89Å
271	N	96.6	Very high	93.6	Very high	13 Å²	13	39.8 Å²	39.8	7%	0.07	20%	0.196	C	C	.	.	H	α-helix	trans	-66.2	-31.2	179.6	76.4	-95.8	0	0	0	113.2	Q139 R142 L143 A269 F274 D275	Q139-N271 HydrophobicContact CB-CB 4.3Å; Q139-N271 WeakPolarHBondContact CG-OD1 3.41Å; Q139-N271 WeakPolarHBondContact O-CB 3.22Å; R142-N271 HydrophobicContact CB-CB 4.03Å; R142-N271 PolarHBondContact NE-OD1 3.05Å; L143-N271 HydrophobicContact CB-CB 4.13Å; A269-N271 VanDerWaalsContact C-N 3.27Å; A269-N271 PolarHBondContact O-N 3.18Å; N271-F274 PolarHBondContact O-N 3.43Å; N271-D275 PolarHBondContact O-N 3.2Å
272	Q	96.9	Very high	94.2	Very high	46 Å²	46	35.1 Å²	35.1	22%	0.215	18%	0.177	C	C	.	.	H	α-helix	trans	-72.3	-41.6	179.5	-69	169.6	-24.3	0	0	111	L268 A269 V270 F274 D275 I276 P295	L268-Q272 HydrophobicContact CB-CB 4.09Å; A269-Q272 HydrophobicContact CB-CB 4.45Å; A269-Q272 HydrophobicContact CB-CG 4.11Å; A269-Q272 WeakPolarHBondContact O-CB 3.3Å; A269-Q272 PolarHBondContact O-N 3.04Å; V270-Q272 VanDerWaalsContact C-N 3.3Å; V270-Q272 PolarHBondContact O-N 3.06Å; Q272-F274 VanDerWaalsContact C-N 3.3Å; Q272-D275 PolarHBondContact O-N 2.93Å; Q272-I276 WeakPolarHBondContact O-CD1 3.48Å; Q272-I276 VanDerWaalsContact O-CG1 3.32Å; Q272-I276 WeakPolarHBondContact O-CG1 3.36Å; Q272-I276 PolarHBondContact O-N 3.26Å; Q272-I276 VanDerWaalsContact O-N 3.12Å; Q272-P295 VanDerWaalsContact CD-CG 3.44Å; Q272-P295 HydrophobicContact CG-CG 4.29Å
273	V	97.9	Very high	94.8	Very high	21 Å²	21	31.5 Å²	31.5	13%	0.127	16%	0.16	C	C	.	.	H	α-helix	trans	-60.5	-45.3	173	-179.4	0	0	0	0	109.7	L202 L221 L248 L268 A269 V270 D275 I276 L277	L202-V273 HydrophobicContact CD1-CG1 4.4Å; L221-V273 HydrophobicContact CD1-CB 4.33Å; L221-V273 HydrophobicContact CD1-CG1 4.34Å; L221-V273 HydrophobicContact CD2-CB 4.29Å; L221-V273 HydrophobicContact CD2-CG1 3.57Å; L248-V273 HydrophobicContact CD1-CG1 4.21Å; L248-V273 HydrophobicContact CD1-CG2 4.29Å; L248-V273 HydrophobicContact CD2-CG1 4.48Å; L268-V273 HydrophobicContact CB-CG2 3.74Å; L268-V273 HydrophobicContact CD1-CG2 4.44Å; A269-V273 PolarHBondContact O-N 3.39Å; V270-V273 PolarHBondContact O-N 3.32Å; V273-D275 PolarHBondContact O-N 2.86Å; V273-I276 PolarHBondContact O-N 3.01Å; V273-L277 HydrophobicContact CG1-CD1 4.1Å; V273-L277 HydrophobicContact CG1-CG 4.37Å; V273-L277 WeakPolarHBondContact O-CG 3.46Å; V273-L277 PolarHBondContact O-N 3.42Å
274	F	98.4	Very high	95.2	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.6	-48.2	176	177.5	-97.2	0	0	0	113	L118 L143 N147 F154 L156 L221 V270 N271 Q272 I276 L277 L278	L118-F274 HydrophobicContact CD1-CD2 3.92Å; L118-F274 HydrophobicContact CD1-CE2 4.5Å; L118-F274 HydrophobicContact CD2-CD2 4.16Å; L143-F274 HydrophobicContact CB-CD1 4.41Å; L143-F274 HydrophobicContact CD1-CB 3.63Å; L143-F274 HydrophobicContact CD1-CD1 4.49Å; L143-F274 HydrophobicContact CD1-CD2 4.11Å; L143-F274 HydrophobicContact CD1-CG 3.82Å; L143-F274 HydrophobicContact CD2-CD2 4.32Å; L143-F274 HydrophobicContact CD2-CG 4.33Å; L143-F274 HydrophobicContact CG-CB 3.81Å; L143-F274 HydrophobicContact CG-CD1 3.74Å; L143-F274 HydrophobicContact CG-CD2 3.95Å; L143-F274 HydrophobicContact CG-CE1 4.32Å; L143-F274 HydrophobicContact CG-CG 3.52Å; L143-F274 WeakPolarHBondContact O-CE1 3.48Å; N147-F274 HydrophobicContact CB-CE1 3.89Å; N147-F274 HydrophobicContact CB-CZ 3.55Å; N147-F274 WeakPolarHBondContact OD1-CZ 3.35Å; F154-F274 HydrophobicContact CB-CE2 4.1Å; F154-F274 HydrophobicContact CD2-CE2 4.05Å; F154-F274 HydrophobicContact CD2-CZ 4.32Å; F154-F274 HydrophobicContact CG-CE2 4.02Å; L156-F274 HydrophobicContact CD2-CD2 4.33Å; L156-F274 HydrophobicContact CD2-CE2 3.76Å; L156-F274 HydrophobicContact CD2-CZ 4.44Å; L221-F274 HydrophobicContact CD1-CB 4.41Å; V270-F274 PolarHBondContact O-N 2.89Å; N271-F274 PolarHBondContact O-N 3.43Å; Q272-F274 VanDerWaalsContact C-N 3.3Å; F274-I276 VanDerWaalsContact C-N 3.25Å; F274-I276 PolarHBondContact O-N 2.86Å; F274-L277 PolarHBondContact O-N 2.85Å; F274-L277 VanDerWaalsContact O-N 3.17Å; F274-L278 HydrophobicContact CE1-CB 4.3Å; F274-L278 HydrophobicContact CE1-CD2 3.91Å; F274-L278 HydrophobicContact CZ-CB 4.41Å; F274-L278 HydrophobicContact CZ-CD1 4.38Å; F274-L278 HydrophobicContact CZ-CD2 4.29Å; F274-L278 VanDerWaalsContact O-CB 3.31Å; F274-L278 WeakPolarHBondContact O-CB 3.48Å; F274-L278 PolarHBondContact O-N 2.87Å
275	D	98.3	Very high	95.5	Very high	10 Å²	10	27.6 Å²	27.6	5%	0.053	16%	0.159	C	C	.	.	H	α-helix	trans	-60	-37	-179.9	-67.3	-39.1	0	0	0	111.6	S146 N271 Q272 V273 M279 W293	S146-D275 WeakPolarHBondContact CB-OD1 3.43Å; S146-D275 PolarHBondContact OG-OD1 3.31Å; N271-D275 PolarHBondContact O-N 3.2Å; Q272-D275 PolarHBondContact O-N 2.93Å; V273-D275 PolarHBondContact O-N 2.86Å; D275-M279 PolarHBondContact O-N 3.3Å; D275-W293 HydrophobicContact CB-CB 4.17Å; D275-W293 HydrophobicContact CB-CD2 3.56Å; D275-W293 HydrophobicContact CB-CE3 3.59Å; D275-W293 HydrophobicContact CB-CG 3.82Å; D275-W293 HydrophobicContact CB-CZ3 4.15Å
276	I	98.3	Very high	95.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-65.2	-49.7	173.8	-68	164.2	0	0	0	111	L248 L268 Q272 V273 F274 L278 M279 F280 W286 A289 L290 W293 F294	L248-I276 HydrophobicContact CD1-CD1 3.89Å; L248-I276 HydrophobicContact CD1-CG2 4.42Å; L248-I276 HydrophobicContact CD2-CG2 4.25Å; L268-I276 HydrophobicContact CD1-CD1 3.42Å; L268-I276 VanDerWaalsContact CD1-CD1 3.42Å; Q272-I276 WeakPolarHBondContact O-CD1 3.48Å; Q272-I276 VanDerWaalsContact O-CG1 3.32Å; Q272-I276 WeakPolarHBondContact O-CG1 3.36Å; Q272-I276 PolarHBondContact O-N 3.26Å; Q272-I276 VanDerWaalsContact O-N 3.12Å; V273-I276 PolarHBondContact O-N 3.01Å; F274-I276 VanDerWaalsContact C-N 3.25Å; F274-I276 PolarHBondContact O-N 2.86Å; I276-L278 VanDerWaalsContact C-N 3.27Å; I276-L278 PolarHBondContact O-N 3.42Å; I276-M279 PolarHBondContact O-N 3.3Å; I276-F280 PolarHBondContact O-N 3.03Å; I276-W286 HydrophobicContact CG2-CE3 4.32Å; I276-W286 HydrophobicContact CG2-CZ3 3.91Å; I276-A289 HydrophobicContact CG2-CB 4.05Å; I276-L290 HydrophobicContact CD1-CD2 4.12Å; I276-L290 HydrophobicContact CG2-CD2 4.17Å; I276-W293 HydrophobicContact CG1-CB 3.62Å; I276-F294 HydrophobicContact CD1-CD2 4.48Å
277	L	98.3	Very high	96	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.2	-37.5	179.1	-67.3	174.3	0	0	0	111.9	L118 F154 L202 L210 V213 L221 L248 V273 F274 S281 W286	L118-L277 HydrophobicContact CD1-CD1 3.68Å; F154-L277 HydrophobicContact CZ-CB 4.47Å; L202-L277 HydrophobicContact CD1-CD1 3.63Å; L202-L277 HydrophobicContact CD1-CD2 4.18Å; L202-L277 HydrophobicContact CD1-CG 4.44Å; L210-L277 HydrophobicContact CD2-CD2 3.87Å; V213-L277 HydrophobicContact CG2-CD2 3.89Å; L221-L277 HydrophobicContact CD2-CD1 4.41Å; L248-L277 HydrophobicContact CD2-CD2 4.24Å; V273-L277 HydrophobicContact CG1-CD1 4.1Å; V273-L277 HydrophobicContact CG1-CG 4.37Å; V273-L277 WeakPolarHBondContact O-CG 3.46Å; V273-L277 PolarHBondContact O-N 3.42Å; F274-L277 PolarHBondContact O-N 2.85Å; F274-L277 VanDerWaalsContact O-N 3.17Å; L277-S281 VanDerWaalsContact O-CB 3.31Å; L277-S281 WeakPolarHBondContact O-CB 3.18Å; L277-S281 PolarHBondContact O-N 3.48Å; L277-S281 PolarHBondContact O-OG 3.29Å; L277-W286 HydrophobicContact CD2-CH2 4.11Å
278	L	97.5	Very high	96.2	Very high	15 Å²	15	25.8 Å²	25.8	8%	0.079	15%	0.15	C	C	.	.	H	α-helix	trans	-63.1	-50.4	177	-176.2	64.4	0	0	0	110.9	A150 F154 F274 I276 F280 S281 E282	A150-L278 HydrophobicContact CB-CD1 3.72Å; A150-L278 HydrophobicContact CB-CD2 4Å; A150-L278 HydrophobicContact CB-CG 4.34Å; F154-L278 HydrophobicContact CD2-CD1 3.81Å; F154-L278 HydrophobicContact CE2-CD1 3.83Å; F274-L278 HydrophobicContact CE1-CB 4.3Å; F274-L278 HydrophobicContact CE1-CD2 3.91Å; F274-L278 HydrophobicContact CZ-CB 4.41Å; F274-L278 HydrophobicContact CZ-CD1 4.38Å; F274-L278 HydrophobicContact CZ-CD2 4.29Å; F274-L278 VanDerWaalsContact O-CB 3.31Å; F274-L278 WeakPolarHBondContact O-CB 3.48Å; F274-L278 PolarHBondContact O-N 2.87Å; I276-L278 VanDerWaalsContact C-N 3.27Å; I276-L278 PolarHBondContact O-N 3.42Å; L278-F280 PolarHBondContact O-N 2.8Å; L278-S281 WeakPolarHBondContact O-CB 3.43Å; L278-S281 PolarHBondContact O-N 2.99Å; L278-E282 PolarHBondContact O-N 3.49Å
279	M	96.9	Very high	96.3	Very high	29 Å²	29	24.6 Å²	24.6	14%	0.143	14%	0.144	C	C	.	.	H	α-helix	trans	-62	-44.2	177.3	-179.6	154.2	-80.3	0	0	112.1	D275 I276 S281 E282 T283 Q288 A289 T292 W293	D275-M279 PolarHBondContact O-N 3.3Å; I276-M279 PolarHBondContact O-N 3.3Å; M279-S281 VanDerWaalsContact C-N 3.26Å; M279-S281 PolarHBondContact O-N 3.48Å; M279-E282 PolarHBondContact O-N 2.89Å; M279-E282 VanDerWaalsContact O-N 3.12Å; M279-T283 HydrophobicContact CG-CG2 4.34Å; M279-T283 WeakPolarHBondContact O-CG2 3.37Å; M279-T283 PolarHBondContact O-N 3.13Å; M279-T283 PolarHBondContact O-OG1 3.31Å; M279-Q288 HydrophobicContact SD-CG 4.15Å; M279-A289 HydrophobicContact CB-CB 4Å; M279-A289 HydrophobicContact CG-CB 3.97Å; M279-T292 HydrophobicContact CE-CG2 3.87Å; M279-T292 WeakPolarHBondContact SD-CB 3.34Å; M279-T292 HydrophobicContact SD-CG2 3.95Å; M279-T292 PolarHBondContact SD-OG1 2.97Å; M279-W293 VanDerWaalsContact CE-NE1 3.26Å; M279-W293 VanDerWaalsContact SD-CD1 3.51Å
280	F	97.1	Very high	96.4	Very high	19 Å²	19	23.6 Å²	23.6	8%	0.083	14%	0.136	C	C	.	.	H	α-helix	trans	-59.7	-39.5	175.6	-178.9	-87.5	0	0	0	111.7	V213 I276 L278 E282 T283 G284 W286 A289	V213-F280 HydrophobicContact CB-CD1 3.82Å; V213-F280 HydrophobicContact CB-CE1 4.08Å; V213-F280 HydrophobicContact CG2-CD1 3.39Å; V213-F280 HydrophobicContact CG2-CE1 3.84Å; V213-F280 HydrophobicContact CG2-CG 4.28Å; I276-F280 PolarHBondContact O-N 3.03Å; L278-F280 PolarHBondContact O-N 2.8Å; F280-E282 PolarHBondContact O-N 3.45Å; F280-T283 PolarHBondContact O-N 3.07Å; F280-G284 VanDerWaalsContact CE2-C 3.47Å; F280-G284 VanDerWaalsContact CE2-O 3.31Å; F280-G284 WeakPolarHBondContact CE2-O 3.5Å; F280-G284 VanDerWaalsContact O-CA 3.28Å; F280-G284 WeakPolarHBondContact O-CA 3.48Å; F280-G284 PolarHBondContact O-N 2.85Å; F280-W286 HydrophobicContact CB-CE3 4.34Å; F280-W286 HydrophobicContact CB-CH2 4.37Å; F280-W286 HydrophobicContact CB-CZ3 4.15Å; F280-W286 HydrophobicContact CD1-CH2 4.4Å; F280-W286 HydrophobicContact CD1-CZ2 4.18Å; F280-W286 HydrophobicContact CD2-CB 4.45Å; F280-W286 AromaticContact CD2-CD1 3.96Å; F280-W286 AromaticContact CD2-CD2 3.38Å; F280-W286 HydrophobicContact CD2-CD2 3.38Å; F280-W286 AromaticContact CD2-CE2 3.47Å; F280-W286 VanDerWaalsContact CD2-CE2 3.47Å; F280-W286 AromaticContact CD2-CE3 3.79Å; F280-W286 HydrophobicContact CD2-CE3 3.79Å; F280-W286 AromaticContact CD2-CG 3.71Å; F280-W286 HydrophobicContact CD2-CG 3.71Å; F280-W286 HydrophobicContact CD2-CH2 4.25Å; F280-W286 AromaticContact CD2-CZ2 3.91Å; F280-W286 HydrophobicContact CD2-CZ2 3.91Å; F280-W286 HydrophobicContact CD2-CZ3 4.2Å; F280-W286 AromaticContact CD2-NE1 3.8Å; F280-W286 HydrophobicContact CE1-CZ2 4.24Å; F280-W286 AromaticContact CE2-CD1 3.41Å; F280-W286 VanDerWaalsContact CE2-CD1 3.41Å; F280-W286 AromaticContact CE2-CD2 3.63Å; F280-W286 HydrophobicContact CE2-CD2 3.63Å; F280-W286 AromaticContact CE2-CE2 3.36Å; F280-W286 HydrophobicContact CE2-CE3 4.47Å; F280-W286 AromaticContact CE2-CG 3.65Å; F280-W286 HydrophobicContact CE2-CG 3.65Å; F280-W286 AromaticContact CE2-CZ2 3.98Å; F280-W286 HydrophobicContact CE2-CZ2 3.98Å; F280-W286 AromaticContact CE2-NE1 3.2Å; F280-W286 HydrophobicContact CG-CD2 4.15Å; F280-W286 HydrophobicContact CG-CE3 4.21Å; F280-W286 HydrophobicContact CG-CH2 4.06Å; F280-W286 HydrophobicContact CG-CZ2 4.01Å; F280-W286 HydrophobicContact CG-CZ3 4.17Å; F280-W286 AromaticContact CZ-CE2 3.85Å; F280-W286 HydrophobicContact CZ-CZ2 4.13Å; F280-W286 AromaticContact CZ-NE1 3.64Å; F280-A289 HydrophobicContact CB-CB 4.14Å
281	S	94.8	Very high	96.3	Very high	17 Å²	17	28.7 Å²	28.7	12%	0.119	16%	0.159	C	C	.	.	H	α-helix	trans	-66.8	-21.9	179	-64.1	0	0	0	0	113.8	F154 L277 L278 M279	F154-S281 VanDerWaalsContact CZ-OG 3.25Å; F154-S281 WeakPolarHBondContact CZ-OG 3.35Å; L277-S281 VanDerWaalsContact O-CB 3.31Å; L277-S281 WeakPolarHBondContact O-CB 3.18Å; L277-S281 PolarHBondContact O-N 3.48Å; L277-S281 PolarHBondContact O-OG 3.29Å; L278-S281 WeakPolarHBondContact O-CB 3.43Å; L278-S281 PolarHBondContact O-N 2.99Å; M279-S281 VanDerWaalsContact C-N 3.26Å; M279-S281 PolarHBondContact O-N 3.48Å
282	E	92.3	Very high	96.2	Very high	90 Å²	90	31.9 Å²	31.9	42%	0.421	18%	0.179	S	C	.	.	H	α-helix	trans	-88.7	-37.3	175.5	-69.3	-177.9	159.5	0	0	111.9	T151 L278 M279 F280	T151-E282 PolarHBondContact N-OE1 3.44Å; L278-E282 PolarHBondContact O-N 3.49Å; M279-E282 PolarHBondContact O-N 2.89Å; M279-E282 VanDerWaalsContact O-N 3.12Å; F280-E282 PolarHBondContact O-N 3.45Å
283	T	94.7	Very high	96.2	Very high	56 Å²	56	34.7 Å²	34.7	34%	0.344	19%	0.187	S	C	.	.	H	α-helix	trans	-113.1	-17.2	-167.9	72.4	0	0	0	0	114.9	M279 F280 S285 Q288	M279-T283 HydrophobicContact CG-CG2 4.34Å; M279-T283 WeakPolarHBondContact O-CG2 3.37Å; M279-T283 PolarHBondContact O-N 3.13Å; M279-T283 PolarHBondContact O-OG1 3.31Å; F280-T283 PolarHBondContact O-N 3.07Å; T283-S285 PolarHBondContact O-N 2.81Å; T283-S285 PolarHBondContact OG1-N 3.27Å; T283-Q288 PolarHBondContact OG1-OE1 2.89Å
284	G	95.1	Very high	96	Very high	53 Å²	53	34.3 Å²	34.3	55%	0.546	18%	0.184	S	C	.	.			trans	66.5	9.5	-173	0	0	0	0	0	114.5	F280	F280-G284 VanDerWaalsContact CE2-C 3.47Å; F280-G284 VanDerWaalsContact CE2-O 3.31Å; F280-G284 WeakPolarHBondContact CE2-O 3.5Å; F280-G284 VanDerWaalsContact O-CA 3.28Å; F280-G284 WeakPolarHBondContact O-CA 3.48Å; F280-G284 PolarHBondContact O-N 2.85Å
285	S	95.8	Very high	95.7	Very high	15 Å²	15	35.7 Å²	35.7	11%	0.105	19%	0.193	C	C	.	.			trans	-117	110.9	-172.6	179.3	0	0	0	0	112.3	T283 T287 Q288 A289	T283-S285 PolarHBondContact O-N 2.81Å; T283-S285 PolarHBondContact OG1-N 3.27Å; S285-T287 VanDerWaalsContact C-N 3.28Å; S285-T287 PolarHBondContact O-N 3.21Å; S285-Q288 PolarHBondContact O-N 3.34Å; S285-Q288 PolarHBondContact OG-N 2.95Å; S285-A289 WeakPolarHBondContact O-CB 3.49Å; S285-A289 PolarHBondContact O-N 3.31Å
286	W	96.4	Very high	95.3	Very high	7 Å²	7	39.8 Å²	39.8	3%	0.027	23%	0.228	C	C	.	.	H	α-helix	trans	-62.6	-35.7	172.3	-72.8	118.2	0	0	0	112.2	L210 Q211 V213 L248 P249 Y253 I276 L277 F280 Q288 A289 L290	L210-W286 HydrophobicContact CB-CZ2 4.37Å; L210-W286 HydrophobicContact CD2-CH2 3.9Å; L210-W286 HydrophobicContact CD2-CZ2 4.15Å; L210-W286 HydrophobicContact CG-CH2 4.3Å; L210-W286 HydrophobicContact CG-CZ2 4.07Å; L210-W286 WeakPolarHBondContact O-CZ2 3.41Å; L210-W286 PolarHBondContact O-NE1 3.23Å; Q211-W286 PolarHBondContact O-NE1 2.81Å; V213-W286 HydrophobicContact CG2-CH2 4.12Å; V213-W286 HydrophobicContact CG2-CZ2 4.29Å; L248-W286 HydrophobicContact CD2-CH2 4.27Å; L248-W286 HydrophobicContact CD2-CZ3 3.98Å; P249-W286 HydrophobicContact CG-CB 4.21Å; P249-W286 HydrophobicContact CG-CD2 3.39Å; P249-W286 HydrophobicContact CG-CE3 3.71Å; P249-W286 HydrophobicContact CG-CG 3.61Å; P249-W286 HydrophobicContact CG-CZ2 4.34Å; P249-W286 HydrophobicContact CG-CZ3 4.31Å; Y253-W286 HydrophobicContact CD1-CB 4.06Å; Y253-W286 HydrophobicContact CD2-CB 3.9Å; Y253-W286 HydrophobicContact CD2-CG 4.48Å; Y253-W286 HydrophobicContact CE1-CB 3.86Å; Y253-W286 HydrophobicContact CE2-CB 3.7Å; Y253-W286 AromaticContact CE2-CD1 3.88Å; Y253-W286 AromaticContact CE2-CG 3.98Å; Y253-W286 HydrophobicContact CE2-CG 3.98Å; Y253-W286 HydrophobicContact CG-CB 4.08Å; Y253-W286 AromaticContact CZ-CD1 3.91Å; I276-W286 HydrophobicContact CG2-CE3 4.32Å; I276-W286 HydrophobicContact CG2-CZ3 3.91Å; L277-W286 HydrophobicContact CD2-CH2 4.11Å; F280-W286 HydrophobicContact CB-CE3 4.34Å; F280-W286 HydrophobicContact CB-CH2 4.37Å; F280-W286 HydrophobicContact CB-CZ3 4.15Å; F280-W286 HydrophobicContact CD1-CH2 4.4Å; F280-W286 HydrophobicContact CD1-CZ2 4.18Å; F280-W286 HydrophobicContact CD2-CB 4.45Å; F280-W286 AromaticContact CD2-CD1 3.96Å; F280-W286 AromaticContact CD2-CD2 3.38Å; F280-W286 HydrophobicContact CD2-CD2 3.38Å; F280-W286 AromaticContact CD2-CE2 3.47Å; F280-W286 VanDerWaalsContact CD2-CE2 3.47Å; F280-W286 AromaticContact CD2-CE3 3.79Å; F280-W286 HydrophobicContact CD2-CE3 3.79Å; F280-W286 AromaticContact CD2-CG 3.71Å; F280-W286 HydrophobicContact CD2-CG 3.71Å; F280-W286 HydrophobicContact CD2-CH2 4.25Å; F280-W286 AromaticContact CD2-CZ2 3.91Å; F280-W286 HydrophobicContact CD2-CZ2 3.91Å; F280-W286 HydrophobicContact CD2-CZ3 4.2Å; F280-W286 AromaticContact CD2-NE1 3.8Å; F280-W286 HydrophobicContact CE1-CZ2 4.24Å; F280-W286 AromaticContact CE2-CD1 3.41Å; F280-W286 VanDerWaalsContact CE2-CD1 3.41Å; F280-W286 AromaticContact CE2-CD2 3.63Å; F280-W286 HydrophobicContact CE2-CD2 3.63Å; F280-W286 AromaticContact CE2-CE2 3.36Å; F280-W286 HydrophobicContact CE2-CE3 4.47Å; F280-W286 AromaticContact CE2-CG 3.65Å; F280-W286 HydrophobicContact CE2-CG 3.65Å; F280-W286 AromaticContact CE2-CZ2 3.98Å; F280-W286 HydrophobicContact CE2-CZ2 3.98Å; F280-W286 AromaticContact CE2-NE1 3.2Å; F280-W286 HydrophobicContact CG-CD2 4.15Å; F280-W286 HydrophobicContact CG-CE3 4.21Å; F280-W286 HydrophobicContact CG-CH2 4.06Å; F280-W286 HydrophobicContact CG-CZ2 4.01Å; F280-W286 HydrophobicContact CG-CZ3 4.17Å; F280-W286 AromaticContact CZ-CE2 3.85Å; F280-W286 HydrophobicContact CZ-CZ2 4.13Å; F280-W286 AromaticContact CZ-NE1 3.64Å; W286-Q288 PolarHBondContact O-N 2.91Å; W286-A289 PolarHBondContact O-N 2.85Å; W286-L290 VanDerWaalsContact O-CB 3.25Å; W286-L290 WeakPolarHBondContact O-CB 3.46Å; W286-L290 VanDerWaalsContact O-CG 3.25Å; W286-L290 WeakPolarHBondContact O-CG 3.14Å; W286-L290 PolarHBondContact O-N 3.46Å
287	T	95.5	Very high	94.8	Very high	8 Å²	8	43 Å²	43	5%	0.049	26%	0.262	C	S	.	.	H	α-helix	trans	-57.2	-51.4	175.5	-56.1	0	0	0	0	110.5	Y253 S285 Q291 I302 F310	Y253-T287 WeakPolarHBondContact CD1-OG1 3.46Å; S285-T287 VanDerWaalsContact C-N 3.28Å; S285-T287 PolarHBondContact O-N 3.21Å; T287-Q291 WeakPolarHBondContact O-CB 3.29Å; T287-Q291 PolarHBondContact O-N 2.99Å; T287-I302 HydrophobicContact CG2-CD1 4.31Å; T287-I302 HydrophobicContact CG2-CG1 4.47Å; T287-I302 HydrophobicContact CG2-CG2 3.83Å; T287-F310 HydrophobicContact CG2-CD2 4.49Å
288	Q	94.9	Very high	94.4	Very high	87 Å²	87	45.3 Å²	45.3	41%	0.407	27%	0.272	S	S	.	.	H	α-helix	trans	-65.7	-46.8	-179.7	-168.9	177.2	14.5	0	0	111.4	M279 T283 S285 W286 L290 Q291 T292	M279-Q288 HydrophobicContact SD-CG 4.15Å; T283-Q288 PolarHBondContact OG1-OE1 2.89Å; S285-Q288 PolarHBondContact O-N 3.34Å; S285-Q288 PolarHBondContact OG-N 2.95Å; W286-Q288 PolarHBondContact O-N 2.91Å; Q288-L290 PolarHBondContact O-N 3.46Å; Q288-Q291 PolarHBondContact O-N 2.83Å; Q288-T292 WeakPolarHBondContact O-CB 3.3Å; Q288-T292 PolarHBondContact O-N 2.93Å; Q288-T292 PolarHBondContact O-OG1 3.41Å; Q288-T292 VanDerWaalsContact O-OG1 3.09Å
289	A	96.8	Very high	94.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.4	-47.8	179.9	0	0	0	0	0	112.6	I276 M279 F280 S285 W286 W293	I276-A289 HydrophobicContact CG2-CB 4.05Å; M279-A289 HydrophobicContact CB-CB 4Å; M279-A289 HydrophobicContact CG-CB 3.97Å; F280-A289 HydrophobicContact CB-CB 4.14Å; S285-A289 WeakPolarHBondContact O-CB 3.49Å; S285-A289 PolarHBondContact O-N 3.31Å; W286-A289 PolarHBondContact O-N 2.85Å; A289-W293 WeakPolarHBondContact O-CB 3.28Å; A289-W293 PolarHBondContact O-N 3.37Å
290	L	96.6	Very high	93.9	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-70.7	-38.8	178.6	-67.2	170.5	0	0	0	111.6	V250 Y253 M254 I276 W286 Q288 T292 F294 I302	V250-L290 HydrophobicContact CG2-CD2 4.32Å; Y253-L290 HydrophobicContact CD2-CD1 4.49Å; Y253-L290 HydrophobicContact CG-CD1 4.27Å; M254-L290 HydrophobicContact CG-CB 4.45Å; M254-L290 HydrophobicContact CG-CD1 4.11Å; M254-L290 HydrophobicContact SD-CB 3.98Å; M254-L290 HydrophobicContact SD-CD1 4.27Å; M254-L290 HydrophobicContact SD-CD2 4.25Å; M254-L290 HydrophobicContact SD-CG 4.4Å; I276-L290 HydrophobicContact CD1-CD2 4.12Å; I276-L290 HydrophobicContact CG2-CD2 4.17Å; W286-L290 VanDerWaalsContact O-CB 3.25Å; W286-L290 WeakPolarHBondContact O-CB 3.46Å; W286-L290 VanDerWaalsContact O-CG 3.25Å; W286-L290 WeakPolarHBondContact O-CG 3.14Å; W286-L290 PolarHBondContact O-N 3.46Å; Q288-L290 PolarHBondContact O-N 3.46Å; L290-T292 VanDerWaalsContact C-N 3.32Å; L290-T292 PolarHBondContact O-N 3.11Å; L290-F294 HydrophobicContact CD2-CD2 4.05Å; L290-F294 WeakPolarHBondContact O-CA 3.48Å; L290-F294 WeakPolarHBondContact O-CB 3.43Å; L290-F294 PolarHBondContact O-N 3.02Å; L290-I302 HydrophobicContact CB-CD1 3.96Å
291	Q	94.1	Very high	93.7	Very high	116 Å²	116	46.2 Å²	46.2	54%	0.542	28%	0.279	S	S	.	.	H	α-helix	trans	-62.2	-41.3	178	-173.9	171.5	-7.8	0	0	112.1	T287 Q288 I302	T287-Q291 WeakPolarHBondContact O-CB 3.29Å; T287-Q291 PolarHBondContact O-N 2.99Å; Q288-Q291 PolarHBondContact O-N 2.83Å; Q291-I302 HydrophobicContact CB-CD1 4.16Å; Q291-I302 HydrophobicContact CB-CG1 3.78Å; Q291-I302 HydrophobicContact CG-CG1 4.19Å
292	T	94.8	Very high	93.7	Very high	80 Å²	80	46.5 Å²	46.5	49%	0.491	28%	0.279	S	S	.	.	H	α-helix	trans	-80.6	-41.2	-176.3	-55.6	0	0	0	0	112.6	M279 Q288 L290	M279-T292 HydrophobicContact CE-CG2 3.87Å; M279-T292 WeakPolarHBondContact SD-CB 3.34Å; M279-T292 HydrophobicContact SD-CG2 3.95Å; M279-T292 PolarHBondContact SD-OG1 2.97Å; Q288-T292 WeakPolarHBondContact O-CB 3.3Å; Q288-T292 PolarHBondContact O-N 2.93Å; Q288-T292 PolarHBondContact O-OG1 3.41Å; Q288-T292 VanDerWaalsContact O-OG1 3.09Å; L290-T292 VanDerWaalsContact C-N 3.32Å; L290-T292 PolarHBondContact O-N 3.11Å
293	W	95.7	Very high	93.5	Very high	104 Å²	104	43 Å²	43	39%	0.394	27%	0.265	S	S	.	.	H	α-helix	trans	-112.5	-11.7	-167.9	-65.5	108.3	0	0	0	115.2	D275 I276 M279 A289	D275-W293 HydrophobicContact CB-CB 4.17Å; D275-W293 HydrophobicContact CB-CD2 3.56Å; D275-W293 HydrophobicContact CB-CE3 3.59Å; D275-W293 HydrophobicContact CB-CG 3.82Å; D275-W293 HydrophobicContact CB-CZ3 4.15Å; I276-W293 HydrophobicContact CG1-CB 3.62Å; M279-W293 VanDerWaalsContact CE-NE1 3.26Å; M279-W293 VanDerWaalsContact SD-CD1 3.51Å; A289-W293 WeakPolarHBondContact O-CB 3.28Å; A289-W293 PolarHBondContact O-N 3.37Å
294	F	94.4	Very high	92.8	Very high	14 Å²	14	44.6 Å²	44.6	6%	0.061	28%	0.276	C	S	.	.	S	Bend	trans	-71.9	126	173.7	-162	-85.9	0	0	0	110.4	V250 M254 L268 I276 L290 A296 K298 Y300	V250-F294 HydrophobicContact CG1-CE2 4.01Å; V250-F294 HydrophobicContact CG1-CZ 4.17Å; V250-F294 HydrophobicContact CG2-CD2 4.29Å; V250-F294 HydrophobicContact CG2-CE2 3.71Å; M254-F294 HydrophobicContact CE-CB 3.94Å; M254-F294 HydrophobicContact CE-CD1 3.72Å; M254-F294 HydrophobicContact CE-CD2 4.5Å; M254-F294 HydrophobicContact CE-CE1 4.34Å; M254-F294 HydrophobicContact CE-CG 3.8Å; M254-F294 HydrophobicContact SD-CB 4.1Å; M254-F294 HydrophobicContact SD-CD1 3.99Å; M254-F294 HydrophobicContact SD-CD2 3.78Å; M254-F294 HydrophobicContact SD-CE1 4.33Å; M254-F294 HydrophobicContact SD-CE2 4.16Å; M254-F294 HydrophobicContact SD-CG 3.68Å; M254-F294 HydrophobicContact SD-CZ 4.42Å; L268-F294 HydrophobicContact CD1-CD2 3.9Å; L268-F294 HydrophobicContact CD1-CE2 3.94Å; L268-F294 HydrophobicContact CD2-CD2 4.2Å; L268-F294 HydrophobicContact CD2-CE2 3.87Å; L268-F294 HydrophobicContact CD2-CZ 4.19Å; L268-F294 HydrophobicContact CG-CE2 4.2Å; I276-F294 HydrophobicContact CD1-CD2 4.48Å; L290-F294 HydrophobicContact CD2-CD2 4.05Å; L290-F294 WeakPolarHBondContact O-CA 3.48Å; L290-F294 WeakPolarHBondContact O-CB 3.43Å; L290-F294 PolarHBondContact O-N 3.02Å; F294-A296 PolarHBondContact O-N 2.9Å; F294-K298 HydrophobicContact CD1-CB 4.32Å; F294-K298 HydrophobicContact CE1-CB 3.51Å; F294-K298 HydrophobicContact CE1-CG 4.33Å; F294-K298 HydrophobicContact CZ-CB 4.12Å; F294-Y300 HydrophobicContact CE1-CD2 4Å; F294-Y300 HydrophobicContact CE1-CG 4.26Å; F294-Y300 HydrophobicContact CZ-CD2 4.04Å; F294-Y300 HydrophobicContact CZ-CG 4.4Å
295	P	92.4	Very high	91.9	Very high	29 Å²	29	49.1 Å²	49.1	19%	0.188	28%	0.283	C	S	.	.			trans	-68.7	124.8	-171.5	-18.3	30.7	0	0	0	112.6	L268 Q272 G297 K298	L268-P295 HydrophobicContact CD2-CG 4.02Å; Q272-P295 VanDerWaalsContact CD-CG 3.44Å; Q272-P295 HydrophobicContact CG-CG 4.29Å; P295-G297 PolarHBondContact O-N 3.46Å; P295-K298 HydrophobicContact CB-CG 3.84Å; P295-K298 HydrophobicContact CG-CG 4.09Å; P295-K298 VanDerWaalsContact O-CB 3.24Å; P295-K298 WeakPolarHBondContact O-CB 3.31Å; P295-K298 PolarHBondContact O-N 3.13Å
296	A	88.3	Confident	91	Very high	96 Å²	96	49.1 Å²	49.1	79%	0.793	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-55.6	-30.1	179.8	0	0	0	0	0	114	F294 K298 G299	F294-A296 PolarHBondContact O-N 2.9Å; A296-K298 PolarHBondContact O-N 3.1Å; A296-G299 PolarHBondContact O-N 2.92Å
297	G	88.2	Confident	89.6	Confident	68 Å²	68	51.6 Å²	51.6	70%	0.701	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-69.6	-5.2	177	0	0	0	0	0	115.1	P295	P295-G297 PolarHBondContact O-N 3.46Å
298	K	89.9	Confident	87.7	Confident	47 Å²	47	55 Å²	55	20%	0.204	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-90.4	-3.5	-179.1	-68.4	-78	179.9	167.4	0	113.7	H264 S265 I267 L268 F294 P295 A296 Y300	H264-K298 WeakPolarHBondContact CA-O 3.31Å; S265-K298 PolarHBondContact N-O 3.27Å; S265-K298 WeakPolarHBondContact O-CB 3.48Å; I267-K298 WeakPolarHBondContact O-CE 3.36Å; I267-K298 PolarHBondContact O-NZ 2.93Å; L268-K298 HydrophobicContact CD2-CG 4.41Å; F294-K298 HydrophobicContact CD1-CB 4.32Å; F294-K298 HydrophobicContact CE1-CB 3.51Å; F294-K298 HydrophobicContact CE1-CG 4.33Å; F294-K298 HydrophobicContact CZ-CB 4.12Å; P295-K298 HydrophobicContact CB-CG 3.84Å; P295-K298 HydrophobicContact CG-CG 4.09Å; P295-K298 VanDerWaalsContact O-CB 3.24Å; P295-K298 WeakPolarHBondContact O-CB 3.31Å; P295-K298 PolarHBondContact O-N 3.13Å; A296-K298 PolarHBondContact O-N 3.1Å; K298-Y300 VanDerWaalsContact O-CD2 3.3Å; K298-Y300 WeakPolarHBondContact O-CD2 3.04Å
299	G	91.3	Very high	85.9	Confident	3 Å²	3	59.7 Å²	59.7	3%	0.031	34%	0.343	C	S	.	.	S	Bend	trans	83.2	11.5	169.6	0	0	0	0	0	115.6	K257 H264 A296	K257-G299 PolarHBondContact N-O 3.28Å; H264-G299 PolarHBondContact CD2-O 3.02Å; A296-G299 PolarHBondContact O-N 2.92Å
300	Y	93.3	Very high	83.7	Confident	20 Å²	20	65.4 Å²	65.4	8%	0.078	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	149.3	176.2	-67.7	-95.1	0	0	0	111	V250 M254 V255 K256 H264 K266 F294 K298	V250-Y300 HydrophobicContact CG1-CD1 4.3Å; V250-Y300 HydrophobicContact CG1-CG 4.42Å; M254-Y300 HydrophobicContact CB-CD1 4.33Å; V255-Y300 WeakPolarHBondContact O-CA 3.27Å; K256-Y300 HydrophobicContact CG-CD1 4.27Å; K256-Y300 HydrophobicContact CG-CE1 3.66Å; H264-Y300 HydrophobicContact CB-CE2 3.85Å; K266-Y300 WeakPolarHBondContact CE-OH 3.49Å; K266-Y300 HydrophobicContact CG-CE1 4.43Å; K266-Y300 HydrophobicContact CG-CE2 3.85Å; F294-Y300 HydrophobicContact CE1-CD2 4Å; F294-Y300 HydrophobicContact CE1-CG 4.26Å; F294-Y300 HydrophobicContact CZ-CD2 4.04Å; F294-Y300 HydrophobicContact CZ-CG 4.4Å; K298-Y300 VanDerWaalsContact O-CD2 3.3Å; K298-Y300 WeakPolarHBondContact O-CD2 3.04Å
301	V	93.4	Very high	81.2	Confident	59 Å²	59	70.7 Å²	70.7	36%	0.358	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	156.3	172.5	-69.4	0	0	0	0	109.8	M254 V255 K257 S303	M254-V301 CarbonylContact C-O 3.52Å; M254-V301 WeakPolarHBondContact CA-O 3.47Å; M254-V301 WeakPolarHBondContact CB-O 3.5Å; V255-V301 HydrophobicContact CG2-CG2 3.96Å; V255-V301 PolarHBondContact N-O 3.04Å; V255-V301 PolarHBondContact O-N 3.49Å; K257-V301 HydrophobicContact CB-CG1 4.03Å; K257-V301 HydrophobicContact CB-CG2 4.12Å; K257-V301 HydrophobicContact CD-CG1 3.73Å; K257-V301 HydrophobicContact CG-CG1 4.32Å; V301-S303 PolarHBondContact O-N 3.11Å
302	I	93.4	Very high	78.8	Confident	23 Å²	23	70.5 Å²	70.5	12%	0.118	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	136.7	174.8	-63.6	-59.1	0	0	0	110.2	M254 T287 L290 Q291 N306	M254-I302 HydrophobicContact CE-CD1 4.46Å; M254-I302 HydrophobicContact CG-CD1 4.22Å; T287-I302 HydrophobicContact CG2-CD1 4.31Å; T287-I302 HydrophobicContact CG2-CG1 4.47Å; T287-I302 HydrophobicContact CG2-CG2 3.83Å; L290-I302 HydrophobicContact CB-CD1 3.96Å; Q291-I302 HydrophobicContact CB-CD1 4.16Å; Q291-I302 HydrophobicContact CB-CG1 3.78Å; Q291-I302 HydrophobicContact CG-CG1 4.19Å; I302-N306 HydrophobicContact CG2-CB 4.11Å
303	S	88.4	Confident	76.1	Confident	17 Å²	17	75 Å²	75	12%	0.119	43%	0.425	C	S	.	.			trans	-60.4	137.2	174.8	178	0	0	0	0	110.6	Y253 V301 E305 N306 S307	Y253-S303 PolarHBondContact O-N 2.74Å; V301-S303 PolarHBondContact O-N 3.11Å; S303-E305 PolarHBondContact O-N 3.47Å; S303-E305 VanDerWaalsContact O-N 3.15Å; S303-N306 PolarHBondContact O-N 3.49Å; S303-S307 PolarHBondContact O-N 2.77Å
304	P	80.6	Confident	73.1	Confident	90 Å²	90	79 Å²	79	58%	0.584	45%	0.448	S	S	*	.	H	α-helix	trans	-51.7	-37.8	177.1	-27.3	34.8	0	0	0	113.6	N306 S307 A308	P304-N306 VanDerWaalsContact C-N 3.3Å; P304-N306 PolarHBondContact O-N 3.02Å; P304-S307 VanDerWaalsContact CA-OG 3.29Å; P304-S307 WeakPolarHBondContact CA-OG 3.05Å; P304-S307 PolarHBondContact O-N 2.82Å; P304-S307 PolarHBondContact O-OG 3.38Å; P304-A308 PolarHBondContact O-N 3.46Å
305	E	76.9	Confident	70	Confident	148 Å²	148	90.4 Å²	90.4	69%	0.692	50%	0.502	S	S	*	.	H	α-helix	trans	-63.4	-36.6	178.2	-62.7	-179.2	-178.9	0	0	112.4	S303	S303-E305 PolarHBondContact O-N 3.47Å; S303-E305 VanDerWaalsContact O-N 3.15Å
306	N	76.6	Confident	68.9	Low	15 Å²	15	93.5 Å²	93.5	8%	0.08	52%	0.517	C	S	.	.	H	α-helix	trans	-83.8	-25.4	178	-69.5	-40	0	0	0	112.3	E252 Y253 I302 S303 P304	E252-N306 PolarHBondContact O-ND2 3.07Å; Y253-N306 WeakPolarHBondContact CA-ND2 3.31Å; Y253-N306 HydrophobicContact CD1-CB 4.48Å; I302-N306 HydrophobicContact CG2-CB 4.11Å; S303-N306 PolarHBondContact O-N 3.49Å; P304-N306 VanDerWaalsContact C-N 3.3Å; P304-N306 PolarHBondContact O-N 3.02Å
307	S	65.3	Low	67.9	Low	59 Å²	59	93.4 Å²	93.4	41%	0.413	50%	0.503	S	S	.	.	H	α-helix	trans	-70.7	-34.1	170.7	66.3	0	0	0	0	112.7	S303 P304 R309 F310	S303-S307 PolarHBondContact O-N 2.77Å; P304-S307 VanDerWaalsContact CA-OG 3.29Å; P304-S307 WeakPolarHBondContact CA-OG 3.05Å; P304-S307 PolarHBondContact O-N 2.82Å; P304-S307 PolarHBondContact O-OG 3.38Å; S307-R309 PolarHBondContact O-N 3.21Å; S307-F310 CarbonylContact O-C 3.53Å; S307-F310 PolarHBondContact O-N 3.18Å; S307-F310 VanDerWaalsContact O-N 3.16Å
308	A	56.2	Low	66.8	Low	80 Å²	80	94.8 Å²	94.8	66%	0.661	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-20.8	-178.8	0	0	0	0	0	113.4	P304 F310	P304-A308 PolarHBondContact O-N 3.46Å; A308-F310 PolarHBondContact O-N 3.3Å
309	R	58.1	Low	65.4	Low	184 Å²	184	97.6 Å²	97.6	69%	0.694	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-11.2	174.8	-67.2	-178.8	-176.6	174.4	2.3	113.3	S307	S307-R309 PolarHBondContact O-N 3.21Å
310	F	50.7	Low	63.8	Low	120 Å²	120	103.5 Å²	103.5	53%	0.526	54%	0.538	S	S	.	.	S	Bend	trans	-139.4	86.6	178.9	-68.3	-84.4	0	0	0	109.4	T287 S307 A308 V312	T287-F310 HydrophobicContact CG2-CD2 4.49Å; S307-F310 CarbonylContact O-C 3.53Å; S307-F310 PolarHBondContact O-N 3.18Å; S307-F310 VanDerWaalsContact O-N 3.16Å; A308-F310 PolarHBondContact O-N 3.3Å; F310-V312 PolarHBondContact O-N 2.92Å; F310-V312 VanDerWaalsContact O-N 3.16Å
311	P	42.5	Very low	61.8	Low	113 Å²	113	109.1 Å²	109.1	73%	0.734	57%	0.569	S	S	*	*			trans	-58.6	124.2	164.3	21	-22	0	0	0	107.2	E313	P311-E313 PolarHBondContact O-N 3.25Å
312	V	43.8	Very low	59.6	Low	112 Å²	112	112.6 Å²	112.6	68%	0.679	58%	0.584	S	S	*	*			trans	-57.3	113.9	171	-176.9	0	0	0	0	105.8	F310 E314	F310-V312 PolarHBondContact O-N 2.92Å; F310-V312 VanDerWaalsContact O-N 3.16Å; V312-E314 VanDerWaalsContact C-N 3.33Å; V312-E314 PolarHBondContact O-N 3.49Å
313	E	37.8	Very low	57	Low	173 Å²	173	119.5 Å²	119.5	81%	0.808	62%	0.62	S	S	*	*			trans	-63.3	101.9	166.2	-78.7	-176.5	156.6	0	0	106.6	P311 Q315	P311-E313 PolarHBondContact O-N 3.25Å; E313-Q315 PolarHBondContact O-N 3.02Å
314	E	33.2	Very low	54.4	Low	190 Å²	190	128.1 Å²	128.1	89%	0.888	66%	0.662	S	S	*	*			trans	-66.1	106.1	162.9	-81.4	-172.9	144.9	0	0	107.8	V312	V312-E314 VanDerWaalsContact C-N 3.33Å; V312-E314 PolarHBondContact O-N 3.49Å
315	Q	30.7	Very low	52	Low	253 Å²	253	131.5 Å²	131.5	100%	1.182	67%	0.669	S	S	*	*			trans	-138.4	0	154.9	-68.4	-170.6	23.2	0	0	109.6	E313	E313-Q315 PolarHBondContact O-N 3.02Å

Retrieved 315 of 315 residues in 161.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).