A0A075BR52_DANRE Loading...

Draculin-like 3

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A075BR52, Species DANRE (Danio rerio, Zebrafish), Gene drll.3, Length 631 aa.

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(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	37.1	Very low	28.7	Very low	231 Å²	231	163 Å²	163	100%	1.138	82%	0.82	S	S	*	*				0	65	0	-165.4	-176.6	-67.8	0	0	106.3
2	E	31.2	Very low	28.5	Very low	166 Å²	166	159.8 Å²	159.8	78%	0.776	82%	0.815	S	S	*	*			trans	-74.5	144.1	168	-56.7	95	139.4	0	0	109.2
3	I	30.1	Very low	28.4	Very low	173 Å²	173	157.1 Å²	157.1	89%	0.887	81%	0.812	S	S	*	*			trans	-139.5	141.8	143.5	-62.9	-171.3	0	0	0	105.7
4	E	28.4	Very low	28.3	Very low	164 Å²	164	157.2 Å²	157.2	77%	0.766	81%	0.807	S	S	*	*			trans	-101.7	164	-170.3	-62.9	166.1	128	0	0	113
5	D	28.4	Very low	28.6	Very low	148 Å²	148	155 Å²	155	79%	0.791	81%	0.807	S	S	*	*			trans	38.5	124	142.1	-60.8	-7.1	0	0	0	123.6
6	S	27.2	Very low	28.4	Very low	112 Å²	112	151.5 Å²	151.5	78%	0.783	80%	0.798	S	S	*	*				-171.6	128.1	123.6	17.2	0	0	0	0	108.3
7	E	28.3	Very low	28.3	Very low	172 Å²	172	155.8 Å²	155.8	80%	0.804	80%	0.801	S	S	*	*				60.1	134.5	68.3	-68.7	-137.6	158.4	0	0	113.5
8	N	25.6	Very low	28.2	Very low	119 Å²	119	152.5 Å²	152.5	64%	0.636	79%	0.789	S	S	*	*			cis	-156.3	-171.1	11.3	-146.3	-53.1	0	0	0	112.1
9	M	26.3	Very low	28.1	Very low	154 Å²	154	152.7 Å²	152.7	76%	0.759	79%	0.786	S	S	*	*			trans	-58.1	157.8	-178.6	-62	154.5	53.4	0	0	116.6
10	K	27.1	Very low	28	Very low	211 Å²	211	152.9 Å²	152.9	92%	0.917	78%	0.783	S	S	*	*				-157.9	146.7	115.9	-105.9	153.7	-169.6	172	0	113.4
11	D	26.1	Very low	28	Very low	143 Å²	143	150.7 Å²	150.7	77%	0.765	78%	0.78	S	S	*	*			trans	-123.7	139.9	-179.3	175.6	16.6	0	0	0	108.2
12	T	25.9	Very low	27.4	Very low	124 Å²	124	146 Å²	146	76%	0.761	76%	0.76	S	S	*	*			trans	-158.3	97	171.1	25	0	0	0	0	111.6
13	T	27.3	Very low	27.3	Very low	125 Å²	125	145 Å²	145	77%	0.767	76%	0.76	S	S	*	*				45.7	122.6	129.7	55.5	0	0	0	0	121.3
14	E	26.9	Very low	27.3	Very low	159 Å²	159	142 Å²	142	74%	0.743	75%	0.75	S	S	*	*			trans	-54.9	165.5	159.6	-142.1	-163.8	-95.5	0	0	113.5	C16	E14-C16 WeakPolarHBondContact OE2-CB 3.4Å; E14-C16 PolarHBondContact OE2-N 3.43Å
15	P	33.7	Very low	27.4	Very low	124 Å²	124	141.6 Å²	141.6	81%	0.805	75%	0.748	S	S	*	*				-146.9	153.6	89.8	38.7	-22.6	0	0	0	117.5
16	C	24.2	Very low	27.3	Very low	99 Å²	99	138.3 Å²	138.3	67%	0.669	75%	0.749	S	S	*	*			trans	-75	150	172	179.2	0	0	0	0	115.7	E14	E14-C16 WeakPolarHBondContact OE2-CB 3.4Å; E14-C16 PolarHBondContact OE2-N 3.43Å
17	R	26.5	Very low	27.6	Very low	224 Å²	224	139.3 Å²	139.3	85%	0.845	74%	0.741	S	S	*	*			trans	-168	129.4	146.7	-103.8	179.6	-178.2	179.7	-0.4	110.2
18	T	27.3	Very low	27.9	Very low	97 Å²	97	140.9 Å²	140.9	60%	0.595	74%	0.74	S	S	*	*				46.9	136.2	96.6	71.9	0	0	0	0	115
19	E	26.1	Very low	28.1	Very low	157 Å²	157	141.5 Å²	141.5	73%	0.734	74%	0.743	S	S	*	*			cis	-168.4	-170.1	-0.7	-114.9	162.1	-125.7	0	0	107.6
20	H	25.7	Very low	28.3	Very low	155 Å²	155	141.1 Å²	141.1	72%	0.718	74%	0.739	S	S	*	*			cis	-140.8	-110.6	10.5	-154.5	82.6	0	0	0	112.1
21	C	27.8	Very low	28.3	Very low	107 Å²	107	140.5 Å²	140.5	72%	0.723	74%	0.742	S	S	*	*			trans	-152.9	-173.5	175.6	-83.7	0	0	0	0	111
22	D	26.5	Very low	28.7	Very low	132 Å²	132	142.1 Å²	142.1	71%	0.706	75%	0.745	S	S	*	*			trans	112.8	109.9	161.6	-54	-5.5	0	0	0	112.8
23	D	28.4	Very low	28.8	Very low	145 Å²	145	139.7 Å²	139.7	78%	0.775	75%	0.745	S	S	*	*				97.1	154.9	87.7	-85.7	-8.5	0	0	0	112
24	T	29.7	Very low	29	Very low	111 Å²	111	140.9 Å²	140.9	68%	0.681	75%	0.746	S	S	*	*			cis	-152.1	154.1	4.2	4.4	0	0	0	0	112.6
25	E	31	Very low	29.2	Very low	155 Å²	155	139.9 Å²	139.9	72%	0.724	74%	0.74	S	S	*	*			trans	53	155.8	144	-75.6	-164.9	114.8	0	0	127	Q27	E25-Q27 PolarHBondContact OE1-NE2 2.89Å
26	G	25.9	Very low	28.9	Very low	79 Å²	79	141.6 Å²	141.6	81%	0.814	74%	0.737	S	S	*	*			trans	177.6	84.1	170.4	0	0	0	0	0	112.3
27	Q	34.1	Very low	29.2	Very low	134 Å²	134	140.7 Å²	140.7	63%	0.626	74%	0.744	S	S	*	*			trans	-80.1	149.2	-172.2	-55.8	171.1	-1.9	0	0	112.9	E25	E25-Q27 PolarHBondContact OE1-NE2 2.89Å
28	R	34.5	Very low	29.3	Very low	205 Å²	205	139.6 Å²	139.6	77%	0.774	75%	0.748	S	S	*	*				-170.9	-167.6	78.4	-119.5	165.3	-70.8	-161.6	-4.4	110.8
29	D	28.6	Very low	29.9	Very low	132 Å²	132	141.7 Å²	141.7	71%	0.706	76%	0.761	S	S	*	*			cis	-152.7	-172.5	14.5	-137	-48.9	0	0	0	114.1
30	H	31.7	Very low	30.2	Very low	146 Å²	146	141.7 Å²	141.7	68%	0.676	76%	0.761	S	S	*	*			trans	-81.8	149.1	-168.2	-82.4	-88.3	0	0	0	119.1
31	M	27.5	Very low	30.8	Very low	197 Å²	197	138.1 Å²	138.1	97%	0.97	76%	0.759	S	S	*	*				-159.7	161.5	108.6	-109.3	-168.9	177.4	0	0	111.7
32	E	32.9	Very low	31.5	Very low	177 Å²	177	143.1 Å²	143.1	83%	0.827	77%	0.768	S	S	*	*			trans	-122.1	161.4	-160.1	-65.3	-171.2	109	0	0	116.8
33	G	29.2	Very low	32.4	Very low	74 Å²	74	144.2 Å²	144.2	76%	0.763	77%	0.767	S	S	*	*			trans	111.5	142.1	148.3	0	0	0	0	0	117.1
34	N	30.5	Very low	33.7	Very low	149 Å²	149	139.6 Å²	139.6	80%	0.797	75%	0.745	S	S	*	*			cis	-162.2	166.8	-12.8	-162.4	-1.1	0	0	0	110.7
35	K	30.7	Very low	35.1	Very low	139 Å²	139	136.8 Å²	136.8	60%	0.604	73%	0.728	S	S	*	*			trans	78.7	129.9	161	-67.5	-173.2	153.1	-76	0	121.4
36	E	29.3	Very low	36.5	Very low	160 Å²	160	131.9 Å²	131.9	75%	0.748	71%	0.714	S	S	*	*			trans	40.3	131.7	134.4	-66.5	127.7	-133.2	0	0	120.8
37	G	29.1	Very low	38.1	Very low	79 Å²	79	128.1 Å²	128.1	81%	0.814	68%	0.676	S	S	*	*			cis	144.8	99	-5.8	0	0	0	0	0	113
38	E	29.4	Very low	39.2	Very low	201 Å²	201	130.8 Å²	130.8	94%	0.939	69%	0.685	S	S	*	*			trans	-149.3	153.7	178.3	-140	174.7	-136.8	0	0	112.7
39	T	39.7	Very low	40.5	Very low	142 Å²	142	125.4 Å²	125.4	87%	0.871	67%	0.669	S	S	*	*			trans	-103.7	120.5	-165.7	55.8	0	0	0	0	114.3
40	E	33	Very low	42.4	Very low	157 Å²	157	121.6 Å²	121.6	73%	0.734	65%	0.652	S	S	*	*			trans	-112.8	125.3	165.6	-98.5	-119.6	100.3	0	0	112.3	K43	E40-K43 IonicContact OE1-NZ 3.79Å; E40-K43 PolarHBondContact OE1-NZ 3.22Å
41	A	37.9	Very low	44	Very low	80 Å²	80	123.4 Å²	123.4	66%	0.661	66%	0.658	S	S	*	*			trans	-71.2	134.3	179.8	0	0	0	0	0	112.4	K43	A41-K43 PolarHBondContact O-N 3.23Å
42	K	40.9	Very low	45.8	Very low	212 Å²	212	121 Å²	121	92%	0.922	64%	0.642	S	S	*	*			trans	-65.2	87.3	-179.5	-67.5	177.1	-179.2	172.8	0	112.1	S44	K42-S44 PolarHBondContact O-N 3.36Å
43	K	47.2	Very low	47.2	Very low	155 Å²	155	121.1 Å²	121.1	67%	0.674	64%	0.635	S	S	*	*			trans	-62.3	90.1	-179	-74.1	154.9	-177	157.5	0	112.5	E40 A41	E40-K43 IonicContact OE1-NZ 3.79Å; E40-K43 PolarHBondContact OE1-NZ 3.22Å; A41-K43 PolarHBondContact O-N 3.23Å
44	S	54.6	Low	49.2	Very low	47 Å²	47	119.5 Å²	119.5	33%	0.329	61%	0.607	S	S	.	*	P	Polyproline II helix	trans	-67.6	130.6	176.5	58.8	0	0	0	0	112.7	K42 R53 F54	K42-S44 PolarHBondContact O-N 3.36Å; S44-R53 PolarHBondContact OG-NE 3.39Å; S44-R53 PolarHBondContact OG-NH2 2.79Å; S44-F54 CarbonylContact C-O 3.6Å
45	V	59.3	Low	50.2	Low	52 Å²	52	118.5 Å²	118.5	32%	0.315	61%	0.606	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.7	122.4	-170.5	-162.1	0	0	0	0	110.6	F54 L60	V45-F54 PolarHBondContact N-O 3.08Å; V45-F54 PolarHBondContact O-N 3.3Å; V45-L60 HydrophobicContact CB-CD2 4.16Å; V45-L60 HydrophobicContact CG1-CD2 3.51Å
46	A	60.6	Low	51.7	Low	52 Å²	52	114.1 Å²	114.1	43%	0.43	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.2	145	-177.3	0	0	0	0	0	113.6	F48 K52 R53	A46-F48 PolarHBondContact O-N 3.48Å; A46-K52 CarbonylContact C-O 3.59Å; A46-K52 WeakPolarHBondContact CA-O 3.46Å; A46-R53 HydrophobicContact CB-CG 4.29Å
47	C	59.9	Low	53.3	Low	1 Å²	1	113.6 Å²	113.6	1%	0.007	59%	0.588	C	S	.	*	P	Polyproline II helix	trans	-75.3	117.8	168.4	177.8	0	0	0	0	110.8	H49 C50 K51 K52 F54 L60 H63	C47-H49 PolarHBondContact O-N 3.23Å; C47-H49 VanDerWaalsContact O-N 3.09Å; C47-C50 VanDerWaalsContact CB-SG 3.55Å; C47-C50 PolarHBondContact O-N 2.9Å; C47-K51 VanDerWaalsContact O-CA 3.27Å; C47-K51 WeakPolarHBondContact O-CA 3.5Å; C47-K51 PolarHBondContact O-N 3.48Å; C47-K52 PolarHBondContact N-O 2.91Å; C47-F54 HydrophobicContact CB-CE2 3.98Å; C47-L60 HydrophobicContact CB-CD1 3.59Å; C47-H63 VanDerWaalsContact SG-CD2 3.59Å
48	F	56.5	Low	54.9	Low	190 Å²	190	112.7 Å²	112.7	83%	0.833	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	-20.3	179.9	-168.7	-98.5	0	0	0	114.1	A46	A46-F48 PolarHBondContact O-N 3.48Å
49	H	61	Low	56.4	Low	92 Å²	92	108.5 Å²	108.5	43%	0.426	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.7	-11.2	-178	-69.3	-18.7	0	0	0	115.2	C47	C47-H49 PolarHBondContact O-N 3.23Å; C47-H49 VanDerWaalsContact O-N 3.09Å
50	C	68.8	Low	57.5	Low	52 Å²	52	102.8 Å²	102.8	35%	0.351	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.9	3.7	-179.6	72.6	0	0	0	0	114.7	C47 K52 H63	C47-C50 VanDerWaalsContact CB-SG 3.55Å; C47-C50 PolarHBondContact O-N 2.9Å; C50-K52 PolarHBondContact O-N 3.21Å; C50-H63 PolarHBondContact SG-NE2 3.17Å
51	K	65.1	Low	58.7	Low	184 Å²	184	100.9 Å²	100.9	80%	0.8	51%	0.508	S	S	*	.			trans	56.9	-2.9	-177.1	-61.8	-174.8	179	-179.4	0	117.1	C47 R53	C47-K51 VanDerWaalsContact O-CA 3.27Å; C47-K51 WeakPolarHBondContact O-CA 3.5Å; C47-K51 PolarHBondContact O-N 3.48Å; K51-R53 PolarHBondContact O-N 3.41Å
52	K	66.1	Low	60	Low	145 Å²	145	101.1 Å²	101.1	63%	0.63	50%	0.501	S	S	*	.			trans	-55.1	133.3	171.5	-75	-161.6	171.5	-166.6	0	111.1	A46 C47 C50 F54	A46-K52 CarbonylContact C-O 3.59Å; A46-K52 WeakPolarHBondContact CA-O 3.46Å; C47-K52 PolarHBondContact N-O 2.91Å; C50-K52 PolarHBondContact O-N 3.21Å; K52-F54 HydrophobicContact CB-CE2 3.98Å; K52-F54 HydrophobicContact CB-CZ 4.23Å; K52-F54 WeakPolarHBondContact O-CD2 3.45Å; K52-F54 WeakPolarHBondContact O-CE2 3.39Å
53	R	62.4	Low	61.3	Low	181 Å²	181	93.1 Å²	93.1	68%	0.683	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	140.6	-179.9	-55.9	-178.2	78.2	141.1	4.6	110.2	S44 A46 K51	S44-R53 PolarHBondContact OG-NE 3.39Å; S44-R53 PolarHBondContact OG-NH2 2.79Å; A46-R53 HydrophobicContact CB-CG 4.29Å; K51-R53 PolarHBondContact O-N 3.41Å
54	F	70.1	Confident	61.9	Low	39 Å²	39	89 Å²	89	17%	0.171	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	142.4	179.5	-63.7	-90.7	0	0	0	109.8	S44 V45 C47 K52 C56 H59 L60 H63	S44-F54 CarbonylContact C-O 3.6Å; V45-F54 PolarHBondContact N-O 3.08Å; V45-F54 PolarHBondContact O-N 3.3Å; C47-F54 HydrophobicContact CB-CE2 3.98Å; K52-F54 HydrophobicContact CB-CE2 3.98Å; K52-F54 HydrophobicContact CB-CZ 4.23Å; K52-F54 WeakPolarHBondContact O-CD2 3.45Å; K52-F54 WeakPolarHBondContact O-CE2 3.39Å; F54-C56 VanDerWaalsContact C-N 3.31Å; F54-C56 PolarHBondContact O-N 2.96Å; F54-H59 HydrophobicContact CD1-CB 3.92Å; F54-L60 HydrophobicContact CB-CB 4.29Å; F54-L60 HydrophobicContact CD2-CB 4.12Å; F54-L60 HydrophobicContact CD2-CD1 3.95Å; F54-L60 HydrophobicContact CE2-CD1 4.09Å; F54-L60 HydrophobicContact CG-CB 4.24Å; F54-H63 HydrophobicContact CE1-CB 4.02Å; F54-H63 HydrophobicContact CE2-CB 4.3Å; F54-H63 AromaticContact CE2-CD2 3.84Å; F54-H63 HydrophobicContact CZ-CB 3.65Å; F54-H63 AromaticContact CZ-CD2 3.67Å; F54-H63 AromaticContact CZ-CG 3.44Å; F54-H63 VanDerWaalsContact CZ-CG 3.44Å; F54-H63 AromaticContact CZ-ND1 3.89Å
55	T	53.1	Low	62.3	Low	128 Å²	128	94.6 Å²	94.6	79%	0.785	46%	0.464	S	S	*	.	S	Bend	trans	-70.4	-25.3	-179.6	47	0	0	0	0	113.2
56	C	62	Low	62.3	Low	47 Å²	47	96.6 Å²	96.6	32%	0.318	48%	0.476	S	S	.	.	S	Bend	trans	-139.5	157.7	177.4	76.7	0	0	0	0	112.6	F54 A58	F54-C56 VanDerWaalsContact C-N 3.31Å; F54-C56 PolarHBondContact O-N 2.96Å; C56-A58 VanDerWaalsContact C-N 3.26Å; C56-A58 PolarHBondContact O-N 3.27Å
57	K	62.8	Low	62.4	Low	150 Å²	150	96.4 Å²	96.4	65%	0.652	47%	0.467	S	S	*	.	H	α-helix	trans	-66.7	-25.3	-178.8	-158.2	172	-174.2	175.1	0	112.9	Q61	K57-Q61 WeakPolarHBondContact O-CG 3.45Å; K57-Q61 PolarHBondContact O-N 3.42Å; K57-Q61 VanDerWaalsContact O-N 3.1Å
58	A	62.2	Low	62	Low	59 Å²	59	101.3 Å²	101.3	49%	0.488	49%	0.493	S	S	.	.	H	α-helix	trans	-68.7	-48.1	178.7	0	0	0	0	0	112.4	C56 L60 Q61 V62	C56-A58 VanDerWaalsContact C-N 3.26Å; C56-A58 PolarHBondContact O-N 3.27Å; A58-L60 VanDerWaalsContact C-N 3.29Å; A58-L60 PolarHBondContact O-N 3.22Å; A58-Q61 WeakPolarHBondContact O-CB 3.37Å; A58-Q61 PolarHBondContact O-N 3.08Å; A58-V62 PolarHBondContact O-N 3.04Å
59	H	61.6	Low	61.6	Low	113 Å²	113	100.1 Å²	100.1	52%	0.523	49%	0.487	S	S	.	.	H	α-helix	trans	-63.1	-35.6	177.3	-67.1	165.9	0	0	0	112.3	F54 V62 H63	F54-H59 HydrophobicContact CD1-CB 3.92Å; H59-V62 PolarHBondContact O-N 3.39Å; H59-H63 WeakPolarHBondContact O-CB 3.41Å; H59-H63 PolarHBondContact O-N 3.19Å
60	L	62.3	Low	61.1	Low	23 Å²	23	102.4 Å²	102.4	12%	0.12	50%	0.496	C	S	.	.	H	α-helix	trans	-62.1	-42.3	170.2	176.1	58.4	0	0	0	112.3	V45 C47 F54 A58 V62 H63 M64	V45-L60 HydrophobicContact CB-CD2 4.16Å; V45-L60 HydrophobicContact CG1-CD2 3.51Å; C47-L60 HydrophobicContact CB-CD1 3.59Å; F54-L60 HydrophobicContact CB-CB 4.29Å; F54-L60 HydrophobicContact CD2-CB 4.12Å; F54-L60 HydrophobicContact CD2-CD1 3.95Å; F54-L60 HydrophobicContact CE2-CD1 4.09Å; F54-L60 HydrophobicContact CG-CB 4.24Å; A58-L60 VanDerWaalsContact C-N 3.29Å; A58-L60 PolarHBondContact O-N 3.22Å; L60-V62 VanDerWaalsContact C-N 3.34Å; L60-V62 PolarHBondContact O-N 3.22Å; L60-H63 PolarHBondContact O-N 3.28Å; L60-M64 HydrophobicContact CD1-CG 4Å; L60-M64 HydrophobicContact CG-CG 4.41Å; L60-M64 VanDerWaalsContact O-CG 3.25Å; L60-M64 WeakPolarHBondContact O-CG 3.35Å; L60-M64 PolarHBondContact O-N 3.21Å
61	Q	59.4	Low	59.9	Low	117 Å²	117	105.6 Å²	105.6	55%	0.547	50%	0.504	S	S	.	.	H	α-helix	trans	-63.2	-37.3	176.2	-75.1	-174.9	14	0	0	112.8	K57 A58	K57-Q61 WeakPolarHBondContact O-CG 3.45Å; K57-Q61 PolarHBondContact O-N 3.42Å; K57-Q61 VanDerWaalsContact O-N 3.1Å; A58-Q61 WeakPolarHBondContact O-CB 3.37Å; A58-Q61 PolarHBondContact O-N 3.08Å
62	V	64	Low	58.8	Low	84 Å²	84	104.1 Å²	104.1	51%	0.509	50%	0.5	S	S	.	.	H	α-helix	trans	-65	-48.2	173.5	176.8	0	0	0	0	110.4	A58 H59 L60 M64 R65	A58-V62 PolarHBondContact O-N 3.04Å; H59-V62 PolarHBondContact O-N 3.39Å; L60-V62 VanDerWaalsContact C-N 3.34Å; L60-V62 PolarHBondContact O-N 3.22Å; V62-M64 VanDerWaalsContact C-N 3.32Å; V62-M64 PolarHBondContact O-N 2.6Å; V62-R65 VanDerWaalsContact O-CB 3.31Å; V62-R65 WeakPolarHBondContact O-CB 3.2Å; V62-R65 PolarHBondContact O-N 3.25Å
63	H	68.8	Low	57.4	Low	45 Å²	45	105.6 Å²	105.6	21%	0.208	51%	0.506	C	S	.	.	H	α-helix	trans	-59.2	-38.9	178.1	179.2	71.4	0	0	0	113	C47 C50 F54 H59 L60 R65 V66 H67	C47-H63 VanDerWaalsContact SG-CD2 3.59Å; C50-H63 PolarHBondContact SG-NE2 3.17Å; F54-H63 HydrophobicContact CE1-CB 4.02Å; F54-H63 HydrophobicContact CE2-CB 4.3Å; F54-H63 AromaticContact CE2-CD2 3.84Å; F54-H63 HydrophobicContact CZ-CB 3.65Å; F54-H63 AromaticContact CZ-CD2 3.67Å; F54-H63 AromaticContact CZ-CG 3.44Å; F54-H63 VanDerWaalsContact CZ-CG 3.44Å; F54-H63 AromaticContact CZ-ND1 3.89Å; H59-H63 WeakPolarHBondContact O-CB 3.41Å; H59-H63 PolarHBondContact O-N 3.19Å; L60-H63 PolarHBondContact O-N 3.28Å; H63-R65 PolarHBondContact O-N 2.83Å; H63-V66 WeakPolarHBondContact O-CB 3.43Å; H63-V66 PolarHBondContact O-N 3.11Å; H63-H67 AromaticContact NE2-CD2 3.68Å; H63-H67 AromaticContact NE2-NE2 3.47Å; H63-H67 PolarHBondContact NE2-NE2 3.19Å
64	M	58.5	Low	56.1	Low	67 Å²	67	101.5 Å²	101.5	33%	0.33	50%	0.498	S	S	.	.	H	α-helix	trans	-63.2	-22.5	176.2	-71.8	-71	-81.2	0	0	113.5	L60 V62 V66 H67 N68	L60-M64 HydrophobicContact CD1-CG 4Å; L60-M64 HydrophobicContact CG-CG 4.41Å; L60-M64 VanDerWaalsContact O-CG 3.25Å; L60-M64 WeakPolarHBondContact O-CG 3.35Å; L60-M64 PolarHBondContact O-N 3.21Å; V62-M64 VanDerWaalsContact C-N 3.32Å; V62-M64 PolarHBondContact O-N 2.6Å; M64-V66 VanDerWaalsContact C-N 3.29Å; M64-V66 PolarHBondContact O-N 2.92Å; M64-H67 PolarHBondContact O-N 3.4Å; M64-N68 PolarHBondContact O-N 2.83Å
65	R	64.6	Low	54.5	Low	166 Å²	166	110.4 Å²	110.4	63%	0.626	53%	0.53	S	S	*	.	H	α-helix	trans	-67.3	-30.1	172.1	-60	174.5	-172	-175.5	1.7	111.9	V62 H63 N68 K69	V62-R65 VanDerWaalsContact O-CB 3.31Å; V62-R65 WeakPolarHBondContact O-CB 3.2Å; V62-R65 PolarHBondContact O-N 3.25Å; H63-R65 PolarHBondContact O-N 2.83Å; R65-N68 PolarHBondContact O-N 3.29Å; R65-K69 PolarHBondContact O-N 3.24Å
66	V	59.1	Low	53.8	Low	93 Å²	93	113.9 Å²	113.9	56%	0.564	54%	0.535	S	S	*	.	H	α-helix	trans	-68	-44.8	176.3	-173.7	0	0	0	0	110.7	H63 M64 N68 K69 K70	H63-V66 WeakPolarHBondContact O-CB 3.43Å; H63-V66 PolarHBondContact O-N 3.11Å; M64-V66 VanDerWaalsContact C-N 3.29Å; M64-V66 PolarHBondContact O-N 2.92Å; V66-N68 VanDerWaalsContact C-N 3.31Å; V66-N68 PolarHBondContact O-N 2.84Å; V66-K69 PolarHBondContact O-N 3.33Å; V66-K70 PolarHBondContact O-N 2.91Å
67	H	63.3	Low	52.7	Low	49 Å²	49	115.5 Å²	115.5	23%	0.227	55%	0.551	C	S	.	*	H	α-helix	trans	-60.3	-38.7	173.4	-80.8	-74.5	0	0	0	112.4	H63 M64 K70 K71	H63-H67 AromaticContact NE2-CD2 3.68Å; H63-H67 AromaticContact NE2-NE2 3.47Å; H63-H67 PolarHBondContact NE2-NE2 3.19Å; M64-H67 PolarHBondContact O-N 3.4Å; H67-K70 PolarHBondContact O-N 2.94Å; H67-K71 WeakPolarHBondContact O-CB 3.3Å; H67-K71 PolarHBondContact O-N 3.2Å
68	N	49.7	Very low	51.3	Low	104 Å²	104	114.7 Å²	114.7	56%	0.556	56%	0.559	S	S	*	*	H	α-helix	trans	-66.9	-40.3	174.9	-85.6	-27.6	0	0	0	113.2	M64 R65 V66 K70 K71 Q72	M64-N68 PolarHBondContact O-N 2.83Å; R65-N68 PolarHBondContact O-N 3.29Å; V66-N68 VanDerWaalsContact C-N 3.31Å; V66-N68 PolarHBondContact O-N 2.84Å; N68-K70 VanDerWaalsContact C-N 3.34Å; N68-K70 PolarHBondContact O-N 3.11Å; N68-K71 PolarHBondContact O-N 3.17Å; N68-Q72 PolarHBondContact O-N 2.93Å; N68-Q72 VanDerWaalsContact O-N 3.15Å
69	K	49.9	Very low	50.3	Low	164 Å²	164	116.9 Å²	116.9	71%	0.713	58%	0.577	S	S	*	*	H	α-helix	trans	-61.2	-40.5	172.6	-77.9	-171	174.2	-174	0	111.8	R65 V66 Q72 K73	R65-K69 PolarHBondContact O-N 3.24Å; V66-K69 PolarHBondContact O-N 3.33Å; K69-Q72 PolarHBondContact O-N 3.1Å; K69-K73 PolarHBondContact O-N 3Å
70	K	48.7	Very low	49.5	Very low	140 Å²	140	119 Å²	119	61%	0.609	59%	0.587	S	S	*	*	H	α-helix	trans	-66.3	-46.8	176.5	-158.5	168.3	-178.9	175.9	0	111.9	V66 H67 N68 Q72 K73 D74	V66-K70 PolarHBondContact O-N 2.91Å; H67-K70 PolarHBondContact O-N 2.94Å; N68-K70 VanDerWaalsContact C-N 3.34Å; N68-K70 PolarHBondContact O-N 3.11Å; K70-Q72 PolarHBondContact O-N 3.19Å; K70-K73 PolarHBondContact O-N 3.46Å; K70-D74 VanDerWaalsContact O-CG 3.3Å; K70-D74 PolarHBondContact O-N 3.41Å
71	K	44.8	Very low	48.9	Very low	119 Å²	119	126.9 Å²	126.9	52%	0.517	62%	0.621	S	S	.	*	H	α-helix	trans	-58.3	-20.2	173.8	-106.8	174.8	178.4	167.3	0	115.2	H67 N68	H67-K71 WeakPolarHBondContact O-CB 3.3Å; H67-K71 PolarHBondContact O-N 3.2Å; N68-K71 PolarHBondContact O-N 3.17Å
72	Q	41.2	Very low	48.7	Very low	154 Å²	154	126 Å²	126	72%	0.72	62%	0.619	S	S	*	*	H	α-helix	trans	-82.9	-32.2	170.7	-85.9	-173.9	-37.2	0	0	113.4	N68 K69 K70	N68-Q72 PolarHBondContact O-N 2.93Å; N68-Q72 VanDerWaalsContact O-N 3.15Å; K69-Q72 PolarHBondContact O-N 3.1Å; K70-Q72 PolarHBondContact O-N 3.19Å
73	K	36.8	Very low	48.7	Very low	176 Å²	176	125.1 Å²	125.1	77%	0.765	61%	0.609	S	S	*	*	H	α-helix	trans	-71.4	-47.6	175.9	-123.2	-177.3	179.5	-173.4	0	111	K69 K70 R75 K76	K69-K73 PolarHBondContact O-N 3Å; K70-K73 PolarHBondContact O-N 3.46Å; K73-R75 PolarHBondContact O-N 2.78Å; K73-K76 PolarHBondContact O-N 2.94Å
74	D	34.8	Very low	47.7	Very low	95 Å²	95	126.4 Å²	126.4	51%	0.508	62%	0.62	S	S	.	*	G	3₁₀ helix	trans	-67	-23.3	-175.7	-50.9	-27.9	0	0	0	112.5	K70 K76	K70-D74 VanDerWaalsContact O-CG 3.3Å; K70-D74 PolarHBondContact O-N 3.41Å; D74-K76 PolarHBondContact O-N 3.21Å
75	R	38.1	Very low	47.9	Very low	226 Å²	226	123.3 Å²	123.3	85%	0.853	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-73.6	0.4	177.7	-102.9	-176	169.1	-169.3	-4.1	115.6	K73	K73-R75 PolarHBondContact O-N 2.78Å
76	K	38.3	Very low	47.6	Very low	201 Å²	201	122.5 Å²	122.5	87%	0.874	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-103.6	3.4	179.7	-130.6	-177.4	-178.9	-171.3	0	114.2	K73 D74	K73-K76 PolarHBondContact O-N 2.94Å; D74-K76 PolarHBondContact O-N 3.21Å
77	A	37.1	Very low	47.3	Very low	81 Å²	81	125.7 Å²	125.7	67%	0.669	62%	0.62	S	S	*	*			trans	-132.2	69.2	-174.4	0	0	0	0	0	113
78	T	34	Very low	46.5	Very low	133 Å²	133	125.7 Å²	125.7	82%	0.816	63%	0.625	S	S	*	*			trans	-163	97.7	160.5	-3.8	0	0	0	0	108.9	E80	T78-E80 PolarHBondContact O-N 3.33Å
79	A	41.4	Very low	46.8	Very low	104 Å²	104	123.9 Å²	123.9	86%	0.86	63%	0.631	S	S	*	*			trans	-93.3	72.4	-170.6	0	0	0	0	0	112.3	K81	A79-K81 PolarHBondContact O-N 3.45Å
80	E	44	Very low	47	Very low	158 Å²	158	121.5 Å²	121.5	74%	0.738	62%	0.621	S	S	*	*			trans	-62.1	131.7	159.9	-70.9	-168.2	151.7	0	0	109.2	T78 L82	T78-E80 PolarHBondContact O-N 3.33Å; E80-L82 PolarHBondContact O-N 3.49Å
81	K	50.4	Low	47.1	Very low	189 Å²	189	118.1 Å²	118.1	82%	0.822	62%	0.615	S	S	*	*			trans	-79.5	69.3	-163.7	-151.4	168.5	-170.9	172.1	0	112.2	A79 H83	A79-K81 PolarHBondContact O-N 3.45Å; K81-H83 PolarHBondContact O-N 3.15Å
82	L	55.8	Low	47.9	Very low	99 Å²	99	114.6 Å²	114.6	52%	0.518	60%	0.599	S	S	.	*			trans	-50	120.2	-178.8	-80.6	167.2	0	0	0	112.6	E80 T84	E80-L82 PolarHBondContact O-N 3.49Å; L82-T84 PolarHBondContact O-N 3.11Å
83	H	62.6	Low	48.4	Very low	64 Å²	64	109.7 Å²	109.7	30%	0.296	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83	113.5	179.4	-63.8	-75.9	0	0	0	110.9	K81 S91 F92 K95 L98	K81-H83 PolarHBondContact O-N 3.15Å; H83-S91 CarbonylContact O-C 3.55Å; H83-F92 PolarHBondContact N-O 3.08Å; H83-F92 PolarHBondContact O-N 3.29Å; H83-K95 PolarHBondContact CD2-N 3.23Å; H83-L98 HydrophobicContact CB-CB 4.15Å; H83-L98 HydrophobicContact CB-CD2 3.81Å
84	T	47.7	Very low	49.5	Very low	73 Å²	73	108.7 Å²	108.7	45%	0.448	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.4	152.8	-178.8	43	0	0	0	0	113.5	L82 K90 L98	L82-T84 PolarHBondContact O-N 3.11Å; T84-K90 CarbonylContact C-O 3.59Å; T84-K90 WeakPolarHBondContact CA-O 3.18Å; T84-L98 WeakPolarHBondContact O-CD1 3.41Å; T84-L98 VanDerWaalsContact O-CD2 3.25Å; T84-L98 WeakPolarHBondContact O-CD2 3.46Å
85	C	63.8	Low	50.6	Low	1 Å²	1	111.5 Å²	111.5	1%	0.007	59%	0.586	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.3	109.8	169.4	171.9	0	0	0	0	110.4	K87 S88 G89 K90 F92 L98 H101 M102	C85-K87 VanDerWaalsContact C-N 3.27Å; C85-K87 PolarHBondContact O-N 3.42Å; C85-S88 CarbonylContact O-C 3.49Å; C85-S88 PolarHBondContact O-N 3.03Å; C85-S88 PolarHBondContact SG-OG 3.12Å; C85-G89 PolarHBondContact O-N 3.13Å; C85-K90 HydrophobicContact CB-CB 4.42Å; C85-K90 PolarHBondContact N-O 2.79Å; C85-F92 HydrophobicContact CB-CE2 4.33Å; C85-L98 HydrophobicContact CB-CD1 3.65Å; C85-H101 PolarHBondContact SG-NE2 3.46Å; C85-M102 HydrophobicContact CB-CE 3.69Å; C85-M102 WeakPolarHBondContact SG-CE 3.49Å
86	D	57.6	Low	51.3	Low	150 Å²	150	104.2 Å²	104.2	80%	0.802	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	-34.7	-174.6	-38.9	-54.6	0	0	0	111.5	S88	D86-S88 PolarHBondContact O-N 3.01Å
87	K	53.1	Low	52.2	Low	160 Å²	160	96.8 Å²	96.8	70%	0.696	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-3	173.9	-66	-172.4	176.2	-176.3	0	115.4	C85 H105	C85-K87 VanDerWaalsContact C-N 3.27Å; C85-K87 PolarHBondContact O-N 3.42Å; K87-H105 HydrophobicContact CD-CB 4.33Å
88	S	47.1	Very low	53.4	Low	48 Å²	48	94.3 Å²	94.3	34%	0.336	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.1	7	-179.4	58.8	0	0	0	0	117.9	C85 D86 K90 H101 H105	C85-S88 CarbonylContact O-C 3.49Å; C85-S88 PolarHBondContact O-N 3.03Å; C85-S88 PolarHBondContact SG-OG 3.12Å; D86-S88 PolarHBondContact O-N 3.01Å; S88-K90 PolarHBondContact O-N 2.84Å; S88-K90 VanDerWaalsContact O-N 3.09Å; S88-H101 PolarHBondContact OG-NE2 3.18Å; S88-H105 PolarHBondContact OG-NE2 3.31Å
89	G	55.1	Low	54.6	Low	67 Å²	67	95.5 Å²	95.5	69%	0.691	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	16.4	-179.9	0	0	0	0	0	115.2	C85	C85-G89 PolarHBondContact O-N 3.13Å
90	K	54.3	Low	55.5	Low	114 Å²	114	96.9 Å²	96.9	50%	0.496	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	126	-178.1	-69	-166.5	-172.5	179	0	111.5	T84 C85 S88 F92	T84-K90 CarbonylContact C-O 3.59Å; T84-K90 WeakPolarHBondContact CA-O 3.18Å; C85-K90 HydrophobicContact CB-CB 4.42Å; C85-K90 PolarHBondContact N-O 2.79Å; S88-K90 PolarHBondContact O-N 2.84Å; S88-K90 VanDerWaalsContact O-N 3.09Å; K90-F92 HydrophobicContact CB-CE2 3.56Å; K90-F92 HydrophobicContact CB-CZ 3.85Å; K90-F92 HydrophobicContact CD-CZ 4.11Å; K90-F92 WeakPolarHBondContact O-CD2 3.49Å; K90-F92 WeakPolarHBondContact O-CE2 3.44Å
91	S	51.6	Low	56.3	Low	68 Å²	68	90.3 Å²	90.3	48%	0.476	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	140.9	175	-49.7	0	0	0	0	111.9	H83	H83-S91 CarbonylContact O-C 3.55Å
92	F	62	Low	56.6	Low	45 Å²	45	84.2 Å²	84.2	20%	0.197	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	136.1	-179.7	-61.7	-91.9	0	0	0	110.9	H83 C85 K90 Y94 L98 H101	H83-F92 PolarHBondContact N-O 3.08Å; H83-F92 PolarHBondContact O-N 3.29Å; C85-F92 HydrophobicContact CB-CE2 4.33Å; K90-F92 HydrophobicContact CB-CE2 3.56Å; K90-F92 HydrophobicContact CB-CZ 3.85Å; K90-F92 HydrophobicContact CD-CZ 4.11Å; K90-F92 WeakPolarHBondContact O-CD2 3.49Å; K90-F92 WeakPolarHBondContact O-CE2 3.44Å; F92-Y94 PolarHBondContact O-N 3.32Å; F92-L98 HydrophobicContact CB-CB 4.37Å; F92-L98 HydrophobicContact CD2-CB 4.15Å; F92-L98 HydrophobicContact CD2-CD1 3.74Å; F92-L98 HydrophobicContact CE2-CD1 3.97Å; F92-L98 HydrophobicContact CG-CB 4.41Å; F92-H101 HydrophobicContact CE1-CB 3.98Å; F92-H101 HydrophobicContact CE2-CB 3.96Å; F92-H101 AromaticContact CE2-CD2 3.32Å; F92-H101 WeakPolarHBondContact CE2-CD2 3.36Å; F92-H101 AromaticContact CE2-CG 3.74Å; F92-H101 HydrophobicContact CZ-CB 3.48Å; F92-H101 VanDerWaalsContact CZ-CB 3.48Å; F92-H101 AromaticContact CZ-CD2 3.36Å; F92-H101 WeakPolarHBondContact CZ-CD2 3.4Å; F92-H101 AromaticContact CZ-CG 3.3Å; F92-H101 AromaticContact CZ-ND1 3.92Å; F92-H101 AromaticContact CZ-NE2 3.99Å
93	A	50.3	Low	56.9	Low	52 Å²	52	81.6 Å²	81.6	43%	0.43	43%	0.429	S	S	.	.	S	Bend	trans	-61.6	-25.1	179	0	0	0	0	0	113.8
94	Y	60.2	Low	56.6	Low	155 Å²	155	83.1 Å²	83.1	61%	0.608	44%	0.44	S	S	*	.	S	Bend	trans	-132.5	138.8	-176.4	-50.7	-63.8	0	0	0	112.1	F92 S96 S97 L98	F92-Y94 PolarHBondContact O-N 3.32Å; Y94-S96 WeakPolarHBondContact CB-OG 3.42Å; Y94-S96 PolarHBondContact O-N 3.09Å; Y94-S97 WeakPolarHBondContact O-CB 3.46Å; Y94-S97 PolarHBondContact O-N 3.05Å; Y94-L98 PolarHBondContact O-N 2.82Å; Y94-L98 VanDerWaalsContact O-N 3.14Å
95	K	58.3	Low	56.8	Low	153 Å²	153	83 Å²	83	67%	0.665	43%	0.434	S	S	*	.	H	α-helix	trans	-58	-31	177.3	-162.3	174.6	-178	179	0	112.5	H83 L98 K99	H83-K95 PolarHBondContact CD2-N 3.23Å; K95-L98 PolarHBondContact O-N 3.16Å; K95-K99 WeakPolarHBondContact O-CB 3.36Å; K95-K99 PolarHBondContact O-N 2.79Å
96	S	52.4	Low	56.6	Low	73 Å²	73	86.2 Å²	86.2	51%	0.51	46%	0.456	S	S	.	.	H	α-helix	trans	-63	-41.6	173.2	53.4	0	0	0	0	112.7	Y94 K99 K100	Y94-S96 WeakPolarHBondContact CB-OG 3.42Å; Y94-S96 PolarHBondContact O-N 3.09Å; S96-K99 PolarHBondContact O-N 2.94Å; S96-K100 WeakPolarHBondContact O-CG 3.46Å; S96-K100 PolarHBondContact O-N 3.35Å
97	S	57.1	Low	56.5	Low	46 Å²	46	81.6 Å²	81.6	32%	0.322	44%	0.444	S	S	.	.	H	α-helix	trans	-69.4	-37.7	175.3	-62.7	0	0	0	0	112.1	Y94 K100 H101	Y94-S97 WeakPolarHBondContact O-CB 3.46Å; Y94-S97 PolarHBondContact O-N 3.05Å; S97-K100 PolarHBondContact O-N 3.04Å; S97-H101 WeakPolarHBondContact O-CB 3.43Å; S97-H101 PolarHBondContact O-N 3.47Å
98	L	61.7	Low	56.6	Low	28 Å²	28	78.1 Å²	78.1	15%	0.147	43%	0.43	C	S	.	.	H	α-helix	trans	-61.6	-46.4	170.1	178.8	65.7	0	0	0	111.2	H83 T84 C85 F92 Y94 K95 K100 H101 M102	H83-L98 HydrophobicContact CB-CB 4.15Å; H83-L98 HydrophobicContact CB-CD2 3.81Å; T84-L98 WeakPolarHBondContact O-CD1 3.41Å; T84-L98 VanDerWaalsContact O-CD2 3.25Å; T84-L98 WeakPolarHBondContact O-CD2 3.46Å; C85-L98 HydrophobicContact CB-CD1 3.65Å; F92-L98 HydrophobicContact CB-CB 4.37Å; F92-L98 HydrophobicContact CD2-CB 4.15Å; F92-L98 HydrophobicContact CD2-CD1 3.74Å; F92-L98 HydrophobicContact CE2-CD1 3.97Å; F92-L98 HydrophobicContact CG-CB 4.41Å; Y94-L98 PolarHBondContact O-N 2.82Å; Y94-L98 VanDerWaalsContact O-N 3.14Å; K95-L98 PolarHBondContact O-N 3.16Å; L98-K100 VanDerWaalsContact C-N 3.34Å; L98-K100 PolarHBondContact O-N 3.35Å; L98-H101 CarbonylContact O-C 3.03Å; L98-H101 WeakPolarHBondContact O-CA 3.46Å; L98-H101 WeakPolarHBondContact O-CB 3.4Å; L98-H101 PolarHBondContact O-N 3.11Å; L98-M102 HydrophobicContact CD1-CE 3.49Å; L98-M102 VanDerWaalsContact CD1-CE 3.49Å; L98-M102 HydrophobicContact CG-CE 4.26Å; L98-M102 WeakPolarHBondContact O-CG 3.46Å; L98-M102 PolarHBondContact O-N 2.86Å
99	K	61.1	Low	57.1	Low	158 Å²	158	81.8 Å²	81.8	69%	0.687	44%	0.44	S	S	*	.	H	α-helix	trans	-60.9	-40.7	178.2	-166.5	174.4	-177.3	179.8	0	111.8	K95 S96 H101 M102	K95-K99 WeakPolarHBondContact O-CB 3.36Å; K95-K99 PolarHBondContact O-N 2.79Å; S96-K99 PolarHBondContact O-N 2.94Å; K99-H101 VanDerWaalsContact C-N 3.34Å; K99-H101 PolarHBondContact O-N 3.06Å; K99-M102 PolarHBondContact O-N 2.97Å
100	K	59.4	Low	57.5	Low	133 Å²	133	85.2 Å²	85.2	58%	0.578	44%	0.436	S	S	*	.	H	α-helix	trans	-63.2	-36.7	171.2	-72.7	177.9	179.4	-178.6	0	112.5	S96 S97 L98 F122	S96-K100 WeakPolarHBondContact O-CG 3.46Å; S96-K100 PolarHBondContact O-N 3.35Å; S97-K100 PolarHBondContact O-N 3.04Å; L98-K100 VanDerWaalsContact C-N 3.34Å; L98-K100 PolarHBondContact O-N 3.35Å; K100-F122 HydrophobicContact CB-CE1 4.4Å; K100-F122 HydrophobicContact CB-CZ 4.04Å; K100-F122 HydrophobicContact CG-CE1 4.1Å; K100-F122 HydrophobicContact CG-CZ 4.25Å; K100-F122 VanDerWaalsContact O-CZ 3.32Å; K100-F122 WeakPolarHBondContact O-CZ 3.37Å
101	H	61.4	Low	58.1	Low	20 Å²	20	83 Å²	83	9%	0.093	43%	0.427	C	S	.	.	H	α-helix	trans	-70.7	-30.9	175	175.2	62.3	0	0	0	113.1	C85 S88 F92 S97 L98 K99 I103 N104 H105	C85-H101 PolarHBondContact SG-NE2 3.46Å; S88-H101 PolarHBondContact OG-NE2 3.18Å; F92-H101 HydrophobicContact CE1-CB 3.98Å; F92-H101 HydrophobicContact CE2-CB 3.96Å; F92-H101 AromaticContact CE2-CD2 3.32Å; F92-H101 WeakPolarHBondContact CE2-CD2 3.36Å; F92-H101 AromaticContact CE2-CG 3.74Å; F92-H101 HydrophobicContact CZ-CB 3.48Å; F92-H101 VanDerWaalsContact CZ-CB 3.48Å; F92-H101 AromaticContact CZ-CD2 3.36Å; F92-H101 WeakPolarHBondContact CZ-CD2 3.4Å; F92-H101 AromaticContact CZ-CG 3.3Å; F92-H101 AromaticContact CZ-ND1 3.92Å; F92-H101 AromaticContact CZ-NE2 3.99Å; S97-H101 WeakPolarHBondContact O-CB 3.43Å; S97-H101 PolarHBondContact O-N 3.47Å; L98-H101 CarbonylContact O-C 3.03Å; L98-H101 WeakPolarHBondContact O-CA 3.46Å; L98-H101 WeakPolarHBondContact O-CB 3.4Å; L98-H101 PolarHBondContact O-N 3.11Å; K99-H101 VanDerWaalsContact C-N 3.34Å; K99-H101 PolarHBondContact O-N 3.06Å; H101-I103 VanDerWaalsContact C-N 3.33Å; H101-I103 PolarHBondContact O-N 2.94Å; H101-N104 PolarHBondContact O-N 2.84Å; H101-H105 AromaticContact CE1-CD2 3.92Å; H101-H105 AromaticContact CE1-NE2 3.42Å; H101-H105 PolarHBondContact CE1-NE2 2.84Å; H101-H105 AromaticContact NE2-CD2 3.81Å; H101-H105 AromaticContact NE2-NE2 3.26Å; H101-H105 PolarHBondContact NE2-NE2 3.3Å
102	M	56	Low	58.4	Low	62 Å²	62	83.2 Å²	83.2	31%	0.305	43%	0.426	S	S	.	.	H	α-helix	trans	-63.6	-35	177.9	-70.5	-47.7	87.6	0	0	113.2	C85 L98 K99 N104 H105 S106	C85-M102 HydrophobicContact CB-CE 3.69Å; C85-M102 WeakPolarHBondContact SG-CE 3.49Å; L98-M102 HydrophobicContact CD1-CE 3.49Å; L98-M102 VanDerWaalsContact CD1-CE 3.49Å; L98-M102 HydrophobicContact CG-CE 4.26Å; L98-M102 WeakPolarHBondContact O-CG 3.46Å; L98-M102 PolarHBondContact O-N 2.86Å; K99-M102 PolarHBondContact O-N 2.97Å; M102-N104 PolarHBondContact O-N 3.17Å; M102-H105 WeakPolarHBondContact O-CA 3.37Å; M102-H105 WeakPolarHBondContact O-CB 3.43Å; M102-H105 PolarHBondContact O-N 2.99Å; M102-S106 PolarHBondContact O-N 3.35Å; M102-S106 VanDerWaalsContact O-N 3.16Å
103	I	62	Low	58.9	Low	44 Å²	44	81.1 Å²	81.1	23%	0.226	42%	0.417	C	S	.	.	H	α-helix	trans	-64.4	-27.1	-179.3	-63.6	163.4	0	0	0	111.2	H101 H105 S106 G107 P121 F122	H101-I103 VanDerWaalsContact C-N 3.33Å; H101-I103 PolarHBondContact O-N 2.94Å; I103-H105 PolarHBondContact O-N 3.27Å; I103-S106 PolarHBondContact O-OG 3.37Å; I103-G107 PolarHBondContact O-N 2.93Å; I103-P121 HydrophobicContact CG2-CB 3.8Å; I103-F122 HydrophobicContact CB-CE2 4.39Å; I103-F122 HydrophobicContact CB-CZ 3.87Å; I103-F122 HydrophobicContact CD1-CE1 3.62Å; I103-F122 HydrophobicContact CD1-CZ 3.67Å; I103-F122 HydrophobicContact CG1-CZ 4.34Å; I103-F122 HydrophobicContact CG2-CE2 4.35Å; I103-F122 HydrophobicContact CG2-CZ 4.11Å
104	N	56.1	Low	59.6	Low	96 Å²	96	85.5 Å²	85.5	51%	0.513	43%	0.433	S	S	.	.	H	α-helix	trans	-72.2	-14.6	172.2	-57.9	-52	0	0	0	113.6	H101 M102	H101-N104 PolarHBondContact O-N 2.84Å; M102-N104 PolarHBondContact O-N 3.17Å
105	H	52.8	Low	59.6	Low	70 Å²	70	84.2 Å²	84.2	32%	0.324	43%	0.432	S	S	.	.	H	α-helix	trans	-98.4	-24.6	176.8	-75.1	-81.8	0	0	0	113.5	K87 S88 H101 M102 I103	K87-H105 HydrophobicContact CD-CB 4.33Å; S88-H105 PolarHBondContact OG-NE2 3.31Å; H101-H105 AromaticContact CE1-CD2 3.92Å; H101-H105 AromaticContact CE1-NE2 3.42Å; H101-H105 PolarHBondContact CE1-NE2 2.84Å; H101-H105 AromaticContact NE2-CD2 3.81Å; H101-H105 AromaticContact NE2-NE2 3.26Å; H101-H105 PolarHBondContact NE2-NE2 3.3Å; M102-H105 WeakPolarHBondContact O-CA 3.37Å; M102-H105 WeakPolarHBondContact O-CB 3.43Å; M102-H105 PolarHBondContact O-N 2.99Å; I103-H105 PolarHBondContact O-N 3.27Å
106	S	59.5	Low	59.9	Low	69 Å²	69	79.2 Å²	79.2	48%	0.483	42%	0.416	S	S	.	.	H	α-helix	trans	-79.2	-22.1	172.7	58.5	0	0	0	0	112.5	M102 I103 E108	M102-S106 PolarHBondContact O-N 3.35Å; M102-S106 VanDerWaalsContact O-N 3.16Å; I103-S106 PolarHBondContact O-OG 3.37Å; S106-E108 PolarHBondContact O-N 3.4Å
107	G	54.6	Low	60.3	Low	52 Å²	52	78.4 Å²	78.4	54%	0.536	42%	0.419	S	S	.	.			trans	74.9	5.2	-178.2	0	0	0	0	0	113.9	I103 K109	I103-G107 PolarHBondContact O-N 2.93Å; G107-K109 PolarHBondContact O-N 3.32Å
108	E	56.1	Low	60.5	Low	88 Å²	88	81.6 Å²	81.6	41%	0.411	43%	0.427	S	S	.	.			trans	-64.3	104.6	178.8	-69.3	-174.8	139.5	0	0	111.3	S106 K110	S106-E108 PolarHBondContact O-N 3.4Å; E108-K110 HydrophobicContact CB-CG 4.4Å; E108-K110 PolarHBondContact O-N 3.36Å; E108-K110 WeakPolarHBondContact OE1-CE 3.26Å; E108-K110 IonicContact OE1-NZ 3.27Å; E108-K110 PolarHBondContact OE1-NZ 2.84Å; E108-K110 WeakPolarHBondContact OE2-CE 3.35Å; E108-K110 IonicContact OE2-NZ 3.56Å; E108-K110 PolarHBondContact OE2-NZ 3.44Å
109	K	57.3	Low	60.6	Low	125 Å²	125	82.2 Å²	82.2	54%	0.543	43%	0.434	S	S	.	.			trans	-102.1	70.4	178.8	-68.5	164.9	160.4	-166.7	0	111.2	G107 H111 S119 F120	G107-K109 PolarHBondContact O-N 3.32Å; K109-H111 PolarHBondContact O-N 2.89Å; K109-H111 VanDerWaalsContact O-N 3.09Å; K109-S119 VanDerWaalsContact CD-O 3.25Å; K109-S119 WeakPolarHBondContact CD-O 3.47Å; K109-S119 WeakPolarHBondContact CE-O 3.49Å; K109-S119 WeakPolarHBondContact CG-O 3.48Å; K109-F120 CarbonylContact C-O 3.25Å; K109-F120 WeakPolarHBondContact CA-O 3.16Å
110	K	64.2	Low	60.9	Low	139 Å²	139	76.8 Å²	76.8	60%	0.604	41%	0.41	S	S	*	.			trans	-70.1	-0.8	-169.6	-70.6	174.6	171.1	157.6	0	115.8	E108 F120	E108-K110 HydrophobicContact CB-CG 4.4Å; E108-K110 PolarHBondContact O-N 3.36Å; E108-K110 WeakPolarHBondContact OE1-CE 3.26Å; E108-K110 IonicContact OE1-NZ 3.27Å; E108-K110 PolarHBondContact OE1-NZ 2.84Å; E108-K110 WeakPolarHBondContact OE2-CE 3.35Å; E108-K110 IonicContact OE2-NZ 3.56Å; E108-K110 PolarHBondContact OE2-NZ 3.44Å; K110-F120 PolarHBondContact N-O 3.34Å
111	H	65.6	Low	60.7	Low	68 Å²	68	71.8 Å²	71.8	32%	0.315	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	101.9	-178.2	-55.6	-71.1	0	0	0	111	K109 S119 F120 F122 K123 L126	K109-H111 PolarHBondContact O-N 2.89Å; K109-H111 VanDerWaalsContact O-N 3.09Å; H111-S119 CarbonylContact O-C 3.59Å; H111-S119 WeakPolarHBondContact O-CA 3.43Å; H111-F120 PolarHBondContact N-O 3.25Å; H111-F120 VanDerWaalsContact N-O 3.1Å; H111-F120 PolarHBondContact O-N 2.95Å; H111-F122 VanDerWaalsContact CD2-C 3.41Å; H111-K123 PolarHBondContact CD2-N 3.38Å; H111-K123 PolarHBondContact NE2-N 3.38Å; H111-L126 HydrophobicContact CB-CB 4.17Å; H111-L126 HydrophobicContact CB-CD2 3.83Å
112	T	59.3	Low	61	Low	72 Å²	72	73 Å²	73	44%	0.442	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	147	174.7	39.1	0	0	0	0	112.1	D114 L126	T112-D114 PolarHBondContact OG1-OD1 3.06Å; T112-L126 WeakPolarHBondContact O-CD2 3.17Å
113	C	71.3	Confident	61.4	Low	1 Å²	1	75.9 Å²	75.9	1%	0.007	41%	0.408	C	S	.	.			trans	-94.3	108.1	162.3	173.6	0	0	0	0	108.5	Q115 C116 G117 K118 F120 L126 M130 H133	C113-Q115 PolarHBondContact O-N 3.13Å; C113-C116 PolarHBondContact O-N 3.42Å; C113-C116 VanDerWaalsContact O-N 3.13Å; C113-C116 VanDerWaalsContact SG-SG 3.64Å; C113-G117 WeakPolarHBondContact O-CA 3.35Å; C113-G117 PolarHBondContact O-N 3.36Å; C113-K118 HydrophobicContact CB-CB 4.48Å; C113-K118 WeakPolarHBondContact CB-O 3.37Å; C113-K118 PolarHBondContact N-O 3.48Å; C113-F120 HydrophobicContact CB-CE2 4.41Å; C113-L126 HydrophobicContact CB-CD1 3.52Å; C113-M130 HydrophobicContact CB-SD 4.31Å; C113-H133 PolarHBondContact SG-NE2 2.74Å
114	D	66	Low	61.2	Low	144 Å²	144	78.5 Å²	78.5	77%	0.77	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-21.1	-170	-45.3	-52.4	0	0	0	112.1	T112	T112-D114 PolarHBondContact OG1-OD1 3.06Å
115	Q	59.7	Low	61.2	Low	128 Å²	128	79 Å²	79	60%	0.598	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-15.8	174.3	-68.1	175.9	-18.1	0	0	114.6	C113 M130 H133	C113-Q115 PolarHBondContact O-N 3.13Å; Q115-M130 HydrophobicContact CG-CE 4.49Å; Q115-H133 PolarHBondContact OE1-CD2 3.29Å
116	C	65.2	Low	61.7	Low	48 Å²	48	76.9 Å²	76.9	32%	0.324	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.7	16.5	178	74.5	0	0	0	0	116.4	C113 K118 H129	C113-C116 PolarHBondContact O-N 3.42Å; C113-C116 VanDerWaalsContact O-N 3.13Å; C113-C116 VanDerWaalsContact SG-SG 3.64Å; C116-K118 PolarHBondContact O-N 3.31Å; C116-K118 VanDerWaalsContact SG-CD 3.57Å; C116-H129 PolarHBondContact SG-NE2 2.99Å
117	G	59.8	Low	61.8	Low	56 Å²	56	77.3 Å²	77.3	58%	0.577	41%	0.406	S	S	*	.			trans	67.3	-3.6	177.2	0	0	0	0	0	116.3	C113 S119	C113-G117 WeakPolarHBondContact O-CA 3.35Å; C113-G117 PolarHBondContact O-N 3.36Å; G117-S119 PolarHBondContact O-N 3.3Å
118	K	61.7	Low	61.9	Low	113 Å²	113	77.5 Å²	77.5	49%	0.491	39%	0.393	S	S	.	.			trans	-71.4	120.1	-176.2	-68.8	174.8	-164.2	137.1	0	110.4	C113 C116 F120	C113-K118 HydrophobicContact CB-CB 4.48Å; C113-K118 WeakPolarHBondContact CB-O 3.37Å; C113-K118 PolarHBondContact N-O 3.48Å; C116-K118 PolarHBondContact O-N 3.31Å; C116-K118 VanDerWaalsContact SG-CD 3.57Å; K118-F120 HydrophobicContact CB-CE2 3.68Å; K118-F120 HydrophobicContact CB-CZ 3.98Å; K118-F120 VanDerWaalsContact O-CD2 3.31Å; K118-F120 WeakPolarHBondContact O-CD2 3.22Å; K118-F120 WeakPolarHBondContact O-CE2 3.34Å
119	S	63.6	Low	62.1	Low	40 Å²	40	73.9 Å²	73.9	28%	0.28	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	136	-176.3	31.1	0	0	0	0	112.3	K109 H111 G117	K109-S119 VanDerWaalsContact CD-O 3.25Å; K109-S119 WeakPolarHBondContact CD-O 3.47Å; K109-S119 WeakPolarHBondContact CE-O 3.49Å; K109-S119 WeakPolarHBondContact CG-O 3.48Å; H111-S119 CarbonylContact O-C 3.59Å; H111-S119 WeakPolarHBondContact O-CA 3.43Å; G117-S119 PolarHBondContact O-N 3.3Å
120	F	67.8	Low	62.2	Low	44 Å²	44	70.5 Å²	70.5	19%	0.193	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	149.2	-169.5	-62.9	-91.8	0	0	0	112.2	K109 K110 H111 C113 K118 F122 L126 H129	K109-F120 CarbonylContact C-O 3.25Å; K109-F120 WeakPolarHBondContact CA-O 3.16Å; K110-F120 PolarHBondContact N-O 3.34Å; H111-F120 PolarHBondContact N-O 3.25Å; H111-F120 VanDerWaalsContact N-O 3.1Å; H111-F120 PolarHBondContact O-N 2.95Å; C113-F120 HydrophobicContact CB-CE2 4.41Å; K118-F120 HydrophobicContact CB-CE2 3.68Å; K118-F120 HydrophobicContact CB-CZ 3.98Å; K118-F120 VanDerWaalsContact O-CD2 3.31Å; K118-F120 WeakPolarHBondContact O-CD2 3.22Å; K118-F120 WeakPolarHBondContact O-CE2 3.34Å; F120-F122 PolarHBondContact O-N 3.49Å; F120-L126 HydrophobicContact CB-CB 4.37Å; F120-L126 HydrophobicContact CD2-CB 4.17Å; F120-L126 HydrophobicContact CD2-CD1 4.05Å; F120-L126 HydrophobicContact CE2-CD1 4.31Å; F120-L126 HydrophobicContact CG-CB 4.44Å; F120-H129 HydrophobicContact CE1-CB 4.09Å; F120-H129 HydrophobicContact CE2-CB 3.93Å; F120-H129 AromaticContact CE2-CD2 3.24Å; F120-H129 WeakPolarHBondContact CE2-CD2 3.42Å; F120-H129 AromaticContact CE2-CG 3.7Å; F120-H129 HydrophobicContact CZ-CB 3.57Å; F120-H129 AromaticContact CZ-CD2 3.36Å; F120-H129 WeakPolarHBondContact CZ-CD2 3.41Å; F120-H129 AromaticContact CZ-CG 3.37Å
121	P	55.3	Low	62.1	Low	29 Å²	29	66.4 Å²	66.4	19%	0.188	35%	0.347	C	S	.	.	S	Bend	trans	-78.2	-11.4	-179.4	28.8	-33.2	0	0	0	115.1	I103	I103-P121 HydrophobicContact CG2-CB 3.8Å
122	F	67.5	Low	61.7	Low	44 Å²	44	67.8 Å²	67.8	19%	0.193	36%	0.356	C	S	.	.	S	Bend	trans	-146.6	141	179.8	-62.9	-80.5	0	0	0	111.2	K100 I103 H111 F120 V124 Y125 L126	K100-F122 HydrophobicContact CB-CE1 4.4Å; K100-F122 HydrophobicContact CB-CZ 4.04Å; K100-F122 HydrophobicContact CG-CE1 4.1Å; K100-F122 HydrophobicContact CG-CZ 4.25Å; K100-F122 VanDerWaalsContact O-CZ 3.32Å; K100-F122 WeakPolarHBondContact O-CZ 3.37Å; I103-F122 HydrophobicContact CB-CE2 4.39Å; I103-F122 HydrophobicContact CB-CZ 3.87Å; I103-F122 HydrophobicContact CD1-CE1 3.62Å; I103-F122 HydrophobicContact CD1-CZ 3.67Å; I103-F122 HydrophobicContact CG1-CZ 4.34Å; I103-F122 HydrophobicContact CG2-CE2 4.35Å; I103-F122 HydrophobicContact CG2-CZ 4.11Å; H111-F122 VanDerWaalsContact CD2-C 3.41Å; F120-F122 PolarHBondContact O-N 3.49Å; F122-V124 VanDerWaalsContact C-N 3.28Å; F122-V124 PolarHBondContact O-N 3.22Å; F122-Y125 HydrophobicContact CB-CD2 3.91Å; F122-Y125 HydrophobicContact CB-CE2 4.36Å; F122-Y125 AromaticContact CD2-CD2 3.81Å; F122-Y125 HydrophobicContact CD2-CD2 3.81Å; F122-Y125 AromaticContact CD2-CE2 3.66Å; F122-Y125 HydrophobicContact CD2-CE2 3.66Å; F122-Y125 HydrophobicContact CE2-CE2 4.47Å; F122-Y125 HydrophobicContact CG-CD2 4.32Å; F122-Y125 HydrophobicContact CG-CE2 4.37Å; F122-Y125 PolarHBondContact O-N 2.83Å; F122-L126 PolarHBondContact O-N 3.4Å
123	K	63.9	Low	61.7	Low	124 Å²	124	67.9 Å²	67.9	54%	0.539	35%	0.351	S	S	.	.	H	α-helix	trans	-51.5	-43.8	178	-158.7	-171.2	-177.6	-121	0	112.6	H111 Y125 L126 E127	H111-K123 PolarHBondContact CD2-N 3.38Å; H111-K123 PolarHBondContact NE2-N 3.38Å; K123-Y125 PolarHBondContact O-N 3.28Å; K123-Y125 VanDerWaalsContact O-N 3.13Å; K123-L126 CarbonylContact O-C 3.56Å; K123-L126 WeakPolarHBondContact O-CA 3.47Å; K123-L126 WeakPolarHBondContact O-CB 3.2Å; K123-L126 PolarHBondContact O-N 3.07Å; K123-E127 VanDerWaalsContact CD-OE1 3.31Å; K123-E127 WeakPolarHBondContact CD-OE1 3.21Å; K123-E127 VanDerWaalsContact CE-OE1 3.23Å; K123-E127 WeakPolarHBondContact CE-OE1 3.33Å; K123-E127 HydrophobicContact CG-CG 4.27Å; K123-E127 IonicContact NZ-OE1 3.12Å; K123-E127 PolarHBondContact NZ-OE1 2.62Å; K123-E127 WeakPolarHBondContact O-CG 3.32Å; K123-E127 PolarHBondContact O-N 3.11Å
124	V	57.5	Low	61.1	Low	99 Å²	99	71.7 Å²	71.7	60%	0.6	37%	0.374	S	S	*	.	H	α-helix	trans	-57.5	-30.2	177.7	-176.1	0	0	0	0	113.9	F122 E127 Q128	F122-V124 VanDerWaalsContact C-N 3.28Å; F122-V124 PolarHBondContact O-N 3.22Å; V124-E127 WeakPolarHBondContact CA-OE2 3.18Å; V124-E127 PolarHBondContact N-OE2 2.87Å; V124-Q128 WeakPolarHBondContact O-CB 3.28Å; V124-Q128 PolarHBondContact O-N 3.01Å
125	Y	55.8	Low	60.6	Low	107 Å²	107	67.8 Å²	67.8	42%	0.42	37%	0.368	S	S	.	.	H	α-helix	trans	-86	-22.2	175.3	-61.4	-42.3	0	0	0	113.5	F122 K123 H129	F122-Y125 HydrophobicContact CB-CD2 3.91Å; F122-Y125 HydrophobicContact CB-CE2 4.36Å; F122-Y125 AromaticContact CD2-CD2 3.81Å; F122-Y125 HydrophobicContact CD2-CD2 3.81Å; F122-Y125 AromaticContact CD2-CE2 3.66Å; F122-Y125 HydrophobicContact CD2-CE2 3.66Å; F122-Y125 HydrophobicContact CE2-CE2 4.47Å; F122-Y125 HydrophobicContact CG-CD2 4.32Å; F122-Y125 HydrophobicContact CG-CE2 4.37Å; F122-Y125 PolarHBondContact O-N 2.83Å; K123-Y125 PolarHBondContact O-N 3.28Å; K123-Y125 VanDerWaalsContact O-N 3.13Å; Y125-H129 VanDerWaalsContact O-CB 3.32Å; Y125-H129 WeakPolarHBondContact O-CB 3.48Å; Y125-H129 PolarHBondContact O-N 3.45Å
126	L	64.6	Low	60.3	Low	25 Å²	25	68.2 Å²	68.2	13%	0.131	37%	0.37	C	S	.	.	H	α-helix	trans	-71.9	-47	165	171.2	61.6	0	0	0	110	H111 T112 C113 F120 F122 K123 Q128 H129 M130	H111-L126 HydrophobicContact CB-CB 4.17Å; H111-L126 HydrophobicContact CB-CD2 3.83Å; T112-L126 WeakPolarHBondContact O-CD2 3.17Å; C113-L126 HydrophobicContact CB-CD1 3.52Å; F120-L126 HydrophobicContact CB-CB 4.37Å; F120-L126 HydrophobicContact CD2-CB 4.17Å; F120-L126 HydrophobicContact CD2-CD1 4.05Å; F120-L126 HydrophobicContact CE2-CD1 4.31Å; F120-L126 HydrophobicContact CG-CB 4.44Å; F122-L126 PolarHBondContact O-N 3.4Å; K123-L126 CarbonylContact O-C 3.56Å; K123-L126 WeakPolarHBondContact O-CA 3.47Å; K123-L126 WeakPolarHBondContact O-CB 3.2Å; K123-L126 PolarHBondContact O-N 3.07Å; L126-Q128 PolarHBondContact O-N 2.93Å; L126-H129 CarbonylContact O-C 3.28Å; L126-H129 VanDerWaalsContact O-CA 3.31Å; L126-H129 WeakPolarHBondContact O-CA 3.44Å; L126-H129 VanDerWaalsContact O-CB 3.31Å; L126-H129 WeakPolarHBondContact O-CB 3.21Å; L126-H129 PolarHBondContact O-N 3.12Å; L126-M130 HydrophobicContact CD1-CG 4.18Å; L126-M130 HydrophobicContact CD1-SD 3.99Å; L126-M130 HydrophobicContact CG-CG 4.39Å; L126-M130 WeakPolarHBondContact O-CG 3.43Å; L126-M130 PolarHBondContact O-N 3.16Å
127	E	60.5	Low	59.8	Low	78 Å²	78	71 Å²	71	36%	0.364	39%	0.386	S	S	.	.	H	α-helix	trans	-57	-49.9	177.1	-70.4	160.6	157.6	0	0	110.7	K123 V124 H129 M130 L131	K123-E127 VanDerWaalsContact CD-OE1 3.31Å; K123-E127 WeakPolarHBondContact CD-OE1 3.21Å; K123-E127 VanDerWaalsContact CE-OE1 3.23Å; K123-E127 WeakPolarHBondContact CE-OE1 3.33Å; K123-E127 HydrophobicContact CG-CG 4.27Å; K123-E127 IonicContact NZ-OE1 3.12Å; K123-E127 PolarHBondContact NZ-OE1 2.62Å; K123-E127 WeakPolarHBondContact O-CG 3.32Å; K123-E127 PolarHBondContact O-N 3.11Å; V124-E127 WeakPolarHBondContact CA-OE2 3.18Å; V124-E127 PolarHBondContact N-OE2 2.87Å; E127-H129 PolarHBondContact O-N 3.24Å; E127-M130 PolarHBondContact O-N 2.92Å; E127-M130 VanDerWaalsContact O-N 3.16Å; E127-L131 PolarHBondContact O-N 3.02Å
128	Q	56.5	Low	59.7	Low	55 Å²	55	69.8 Å²	69.8	26%	0.257	37%	0.366	S	S	.	.	H	α-helix	trans	-61.8	-21.8	171.8	177.6	167.3	75.8	0	0	113.9	V124 L126	V124-Q128 WeakPolarHBondContact O-CB 3.28Å; V124-Q128 PolarHBondContact O-N 3.01Å; L126-Q128 PolarHBondContact O-N 2.93Å
129	H	62.2	Low	59.7	Low	12 Å²	12	67.4 Å²	67.4	6%	0.056	36%	0.356	C	S	.	.	H	α-helix	trans	-84.2	-34.8	174.1	173.4	42.8	0	0	0	112.7	C116 F120 Y125 L126 E127 L131 I132 H133	C116-H129 PolarHBondContact SG-NE2 2.99Å; F120-H129 HydrophobicContact CE1-CB 4.09Å; F120-H129 HydrophobicContact CE2-CB 3.93Å; F120-H129 AromaticContact CE2-CD2 3.24Å; F120-H129 WeakPolarHBondContact CE2-CD2 3.42Å; F120-H129 AromaticContact CE2-CG 3.7Å; F120-H129 HydrophobicContact CZ-CB 3.57Å; F120-H129 AromaticContact CZ-CD2 3.36Å; F120-H129 WeakPolarHBondContact CZ-CD2 3.41Å; F120-H129 AromaticContact CZ-CG 3.37Å; Y125-H129 VanDerWaalsContact O-CB 3.32Å; Y125-H129 WeakPolarHBondContact O-CB 3.48Å; Y125-H129 PolarHBondContact O-N 3.45Å; L126-H129 CarbonylContact O-C 3.28Å; L126-H129 VanDerWaalsContact O-CA 3.31Å; L126-H129 WeakPolarHBondContact O-CA 3.44Å; L126-H129 VanDerWaalsContact O-CB 3.31Å; L126-H129 WeakPolarHBondContact O-CB 3.21Å; L126-H129 PolarHBondContact O-N 3.12Å; E127-H129 PolarHBondContact O-N 3.24Å; H129-L131 PolarHBondContact O-N 3.16Å; H129-I132 VanDerWaalsContact O-CB 3.28Å; H129-I132 WeakPolarHBondContact O-CB 3.24Å; H129-I132 WeakPolarHBondContact O-CG1 3.44Å; H129-I132 PolarHBondContact O-N 3.1Å; H129-H133 AromaticContact CE1-CE1 3.88Å; H129-H133 AromaticContact CE1-NE2 3.41Å; H129-H133 PolarHBondContact CE1-NE2 2.84Å; H129-H133 AromaticContact NE2-NE2 3.25Å; H129-H133 PolarHBondContact NE2-NE2 3.31Å
130	M	59	Low	59.1	Low	55 Å²	55	70 Å²	70	27%	0.271	36%	0.364	S	S	.	.	H	α-helix	trans	-60.5	-28.6	176.6	-65	-55.2	-68	0	0	112	C113 Q115 L126 E127 I132 H133 T134	C113-M130 HydrophobicContact CB-SD 4.31Å; Q115-M130 HydrophobicContact CG-CE 4.49Å; L126-M130 HydrophobicContact CD1-CG 4.18Å; L126-M130 HydrophobicContact CD1-SD 3.99Å; L126-M130 HydrophobicContact CG-CG 4.39Å; L126-M130 WeakPolarHBondContact O-CG 3.43Å; L126-M130 PolarHBondContact O-N 3.16Å; E127-M130 PolarHBondContact O-N 2.92Å; E127-M130 VanDerWaalsContact O-N 3.16Å; M130-I132 PolarHBondContact O-N 2.78Å; M130-I132 VanDerWaalsContact O-N 3.08Å; M130-H133 PolarHBondContact O-N 3.01Å; M130-T134 PolarHBondContact O-N 3.48Å; M130-T134 PolarHBondContact O-OG1 2.76Å
131	L	62	Low	58.8	Low	52 Å²	52	67.9 Å²	67.9	27%	0.272	36%	0.355	S	S	.	.	H	α-helix	trans	-57.8	-18.5	171.5	-52.7	-174.6	0	0	0	114.1	E127 H129 G135 L138	E127-L131 PolarHBondContact O-N 3.02Å; H129-L131 PolarHBondContact O-N 3.16Å; L131-G135 PolarHBondContact O-N 3.42Å; L131-L138 HydrophobicContact CB-CD1 4.31Å; L131-L138 HydrophobicContact CB-CG 4.15Å
132	I	56.8	Low	58.8	Low	98 Å²	98	73.7 Å²	73.7	50%	0.503	39%	0.385	S	S	.	.	H	α-helix	trans	-74.8	-29	172.7	-60.1	-177.8	0	0	0	111.3	H129 M130 L138	H129-I132 VanDerWaalsContact O-CB 3.28Å; H129-I132 WeakPolarHBondContact O-CB 3.24Å; H129-I132 WeakPolarHBondContact O-CG1 3.44Å; H129-I132 PolarHBondContact O-N 3.1Å; M130-I132 PolarHBondContact O-N 2.78Å; M130-I132 VanDerWaalsContact O-N 3.08Å; I132-L138 HydrophobicContact CD1-CD1 4.22Å; I132-L138 HydrophobicContact CG1-CD1 3.38Å
133	H	58.7	Low	58.2	Low	73 Å²	73	77.3 Å²	77.3	34%	0.338	40%	0.402	S	S	.	.	H	α-helix	trans	-95.6	-30	-178.4	-50.4	-61.5	0	0	0	112.6	C113 Q115 H129 M130	C113-H133 PolarHBondContact SG-NE2 2.74Å; Q115-H133 PolarHBondContact OE1-CD2 3.29Å; H129-H133 AromaticContact CE1-CE1 3.88Å; H129-H133 AromaticContact CE1-NE2 3.41Å; H129-H133 PolarHBondContact CE1-NE2 2.84Å; H129-H133 AromaticContact NE2-NE2 3.25Å; H129-H133 PolarHBondContact NE2-NE2 3.31Å; M130-H133 PolarHBondContact O-N 3.01Å
134	T	58.5	Low	57.6	Low	81 Å²	81	73.6 Å²	73.6	50%	0.497	39%	0.391	S	S	.	.	H	α-helix	trans	-85.9	-12.6	174.3	63.7	0	0	0	0	113.5	M130 E136	M130-T134 PolarHBondContact O-N 3.48Å; M130-T134 PolarHBondContact O-OG1 2.76Å; T134-E136 PolarHBondContact O-N 2.71Å; T134-E136 VanDerWaalsContact O-N 3.14Å
135	G	55.6	Low	57.2	Low	62 Å²	62	71.2 Å²	71.2	64%	0.639	39%	0.386	S	S	*	.			trans	74.4	-11	-178.2	0	0	0	0	0	115.2	L131 T137	L131-G135 PolarHBondContact O-N 3.42Å; G135-T137 PolarHBondContact O-N 2.82Å
136	E	54.7	Low	57.1	Low	138 Å²	138	71.3 Å²	71.3	65%	0.645	39%	0.389	S	S	*	.			trans	-79.2	109.6	-173.1	-66.8	-166.8	125	0	0	113.2	T134 L138	T134-E136 PolarHBondContact O-N 2.71Å; T134-E136 VanDerWaalsContact O-N 3.14Å; E136-L138 PolarHBondContact O-N 3.08Å
137	T	54.3	Low	56.6	Low	107 Å²	107	72.6 Å²	72.6	66%	0.656	40%	0.4	S	S	*	.	S	Bend	trans	65.6	37.4	160.1	69.5	0	0	0	0	117.9	G135	G135-T137 PolarHBondContact O-N 2.82Å
138	L	56.2	Low	56.7	Low	30 Å²	30	71 Å²	71	16%	0.157	39%	0.392	C	S	.	.			trans	-84.4	143.7	138.1	-71.4	167.8	0	0	0	108.9	L131 I132 E136 E140	L131-L138 HydrophobicContact CB-CD1 4.31Å; L131-L138 HydrophobicContact CB-CG 4.15Å; I132-L138 HydrophobicContact CD1-CD1 4.22Å; I132-L138 HydrophobicContact CG1-CD1 3.38Å; E136-L138 PolarHBondContact O-N 3.08Å; L138-E140 PolarHBondContact O-N 3.48Å
139	H	63.4	Low	56.5	Low	62 Å²	62	76 Å²	76	29%	0.287	41%	0.409	S	S	.	.	B	Isolated β-bridge	trans	-86.2	106.1	179.1	-62.3	-55.5	0	0	0	108.8	F148 S150 K151 V154	H139-F148 PolarHBondContact N-O 3Å; H139-F148 PolarHBondContact O-N 3.4Å; H139-S150 VanDerWaalsContact CD2-C 3.47Å; H139-K151 HydrophobicContact CB-CG 4.47Å; H139-K151 PolarHBondContact CD2-N 2.84Å; H139-K151 WeakPolarHBondContact CE1-CE 3.4Å; H139-V154 HydrophobicContact CB-CG2 3.47Å; H139-V154 VanDerWaalsContact CB-CG2 3.47Å; H139-V154 WeakPolarHBondContact O-CG2 3.42Å
140	E	50.7	Low	56.4	Low	95 Å²	95	77.7 Å²	77.7	44%	0.444	42%	0.422	S	S	.	.			trans	-74.4	165.3	-179.9	-160.3	124.7	142.2	0	0	112.2	L138 G145 K146 S147 V154	L138-E140 PolarHBondContact O-N 3.48Å; E140-G145 VanDerWaalsContact OE1-CA 3.31Å; E140-G145 WeakPolarHBondContact OE1-CA 3.24Å; E140-K146 CarbonylContact C-O 3.55Å; E140-K146 WeakPolarHBondContact CA-O 3.38Å; E140-S147 PolarHBondContact OE2-OG 3.03Å; E140-V154 WeakPolarHBondContact O-CG1 3.4Å
141	C	60.3	Low	56.6	Low	0 Å²	0	81.9 Å²	81.9	0%	0	44%	0.438	C	S	.	.			trans	-109.8	106	167	173.2	0	0	0	0	108.5	Q143 C144 G145 K146 F148 H157 M158 H161	C141-Q143 PolarHBondContact O-N 3.08Å; C141-C144 PolarHBondContact O-N 3.13Å; C141-G145 PolarHBondContact O-N 2.85Å; C141-K146 PolarHBondContact N-O 3.16Å; C141-F148 HydrophobicContact CB-CE2 4.19Å; C141-H157 PolarHBondContact SG-CD2 3.26Å; C141-M158 PolarHBondContact SG-SD 2.79Å; C141-H161 PolarHBondContact SG-NE2 2.82Å
142	D	56.7	Low	56.5	Low	151 Å²	151	81.2 Å²	81.2	81%	0.807	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-22.1	-175.6	-36.3	-38.5	0	0	0	113.7
143	Q	53.4	Low	56.5	Low	120 Å²	120	80.6 Å²	80.6	56%	0.561	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-6.8	-179.9	-61.7	-171	2.6	0	0	114.8	C141 M158	C141-Q143 PolarHBondContact O-N 3.08Å; Q143-M158 HydrophobicContact CG-CE 4.34Å
144	C	51.7	Low	56.7	Low	45 Å²	45	78 Å²	78	30%	0.304	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.2	14.7	177.3	75.4	0	0	0	0	117.6	C141 K146 H157 H161	C141-C144 PolarHBondContact O-N 3.13Å; C144-K146 VanDerWaalsContact C-N 3.32Å; C144-K146 PolarHBondContact O-N 2.82Å; C144-H157 PolarHBondContact SG-NE2 2.99Å; C144-H161 PolarHBondContact SG-NE2 3.1Å
145	G	50.3	Low	57	Low	49 Å²	49	81.6 Å²	81.6	51%	0.505	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	33.9	172.1	0	0	0	0	0	114.4	E140 C141	E140-G145 VanDerWaalsContact OE1-CA 3.31Å; E140-G145 WeakPolarHBondContact OE1-CA 3.24Å; C141-G145 PolarHBondContact O-N 2.85Å
146	K	52.3	Low	57.2	Low	109 Å²	109	83 Å²	83	47%	0.474	43%	0.429	S	S	.	.			trans	-108.5	118.9	-179.8	-74.2	177.4	-168	140	0	110.7	E140 C141 C144 F148	E140-K146 CarbonylContact C-O 3.55Å; E140-K146 WeakPolarHBondContact CA-O 3.38Å; C141-K146 PolarHBondContact N-O 3.16Å; C144-K146 VanDerWaalsContact C-N 3.32Å; C144-K146 PolarHBondContact O-N 2.82Å; K146-F148 HydrophobicContact CB-CD2 4.46Å; K146-F148 HydrophobicContact CB-CE2 3.57Å; K146-F148 HydrophobicContact CB-CZ 3.97Å; K146-F148 WeakPolarHBondContact O-CD2 3.36Å; K146-F148 WeakPolarHBondContact O-CE2 3.26Å
147	S	55.8	Low	57.6	Low	53 Å²	53	77.2 Å²	77.2	37%	0.371	40%	0.402	S	S	.	.			trans	-91	129	-177.8	-18.1	0	0	0	0	111.2	E140	E140-S147 PolarHBondContact OE2-OG 3.03Å
148	F	62.3	Low	57.8	Low	45 Å²	45	74.2 Å²	74.2	20%	0.197	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-120.9	161.4	-175.6	-64.7	-92.8	0	0	0	112.2	H139 C141 K146 S150 E153 V154 H157	H139-F148 PolarHBondContact N-O 3Å; H139-F148 PolarHBondContact O-N 3.4Å; C141-F148 HydrophobicContact CB-CE2 4.19Å; K146-F148 HydrophobicContact CB-CD2 4.46Å; K146-F148 HydrophobicContact CB-CE2 3.57Å; K146-F148 HydrophobicContact CB-CZ 3.97Å; K146-F148 WeakPolarHBondContact O-CD2 3.36Å; K146-F148 WeakPolarHBondContact O-CE2 3.26Å; F148-S150 VanDerWaalsContact C-N 3.34Å; F148-S150 PolarHBondContact O-N 2.96Å; F148-E153 HydrophobicContact CB-CB 3.93Å; F148-E153 HydrophobicContact CD1-CB 4.03Å; F148-E153 HydrophobicContact CG-CB 4.29Å; F148-V154 HydrophobicContact CB-CG2 3.79Å; F148-V154 HydrophobicContact CD2-CG2 3.86Å; F148-V154 HydrophobicContact CG-CG2 4.13Å; F148-H157 HydrophobicContact CE1-CB 4.04Å; F148-H157 HydrophobicContact CE2-CB 3.99Å; F148-H157 AromaticContact CE2-CD2 3.33Å; F148-H157 WeakPolarHBondContact CE2-CD2 3.26Å; F148-H157 AromaticContact CE2-CG 3.6Å; F148-H157 AromaticContact CE2-NE2 3.96Å; F148-H157 HydrophobicContact CZ-CB 3.63Å; F148-H157 AromaticContact CZ-CD2 3.42Å; F148-H157 VanDerWaalsContact CZ-CD2 3.42Å; F148-H157 WeakPolarHBondContact CZ-CD2 3.42Å; F148-H157 AromaticContact CZ-CG 3.23Å; F148-H157 AromaticContact CZ-ND1 3.63Å; F148-H157 AromaticContact CZ-NE2 3.91Å
149	R	51.1	Low	58.2	Low	159 Å²	159	73.9 Å²	73.9	60%	0.6	38%	0.379	S	S	*	.	S	Bend	trans	-84.7	-6.7	-171	-57.6	177	171.3	-155.2	-11.5	113.7	E153	R149-E153 WeakPolarHBondContact CA-OE2 3.44Å; R149-E153 WeakPolarHBondContact CB-OE2 3.43Å; R149-E153 PolarHBondContact N-OE2 2.98Å
150	S	61.6	Low	57.8	Low	47 Å²	47	75.1 Å²	75.1	33%	0.329	39%	0.387	S	S	.	.	S	Bend	trans	-157.8	153.4	175.1	68.2	0	0	0	0	111.7	H139 F148 G152 E153 V154	H139-S150 VanDerWaalsContact CD2-C 3.47Å; F148-S150 VanDerWaalsContact C-N 3.34Å; F148-S150 PolarHBondContact O-N 2.96Å; S150-G152 PolarHBondContact O-N 2.9Å; S150-G152 VanDerWaalsContact O-N 3.14Å; S150-E153 PolarHBondContact O-N 3.27Å; S150-E153 WeakPolarHBondContact OG-CG 3.45Å; S150-E153 PolarHBondContact OG-N 3.26Å; S150-V154 PolarHBondContact O-N 3.49Å
151	K	61.5	Low	58	Low	143 Å²	143	73.9 Å²	73.9	62%	0.622	38%	0.381	S	S	*	.	H	α-helix	trans	-58.2	-25.5	172.2	-60.8	-170.9	-179.6	-177	0	112.4	H139 K155	H139-K151 HydrophobicContact CB-CG 4.47Å; H139-K151 PolarHBondContact CD2-N 2.84Å; H139-K151 WeakPolarHBondContact CE1-CE 3.4Å; K151-K155 WeakPolarHBondContact O-CG 3.48Å; K151-K155 PolarHBondContact O-N 2.78Å
152	G	61	Low	57.8	Low	38 Å²	38	77.5 Å²	77.5	39%	0.392	40%	0.404	S	S	.	.	H	α-helix	trans	-69	-39.5	174.9	0	0	0	0	0	113.3	S150 K155 I156	S150-G152 PolarHBondContact O-N 2.9Å; S150-G152 VanDerWaalsContact O-N 3.14Å; G152-K155 PolarHBondContact O-N 3.22Å; G152-I156 WeakPolarHBondContact O-CG1 3.43Å; G152-I156 PolarHBondContact O-N 3.38Å; G152-I156 VanDerWaalsContact O-N 3.08Å
153	E	56.3	Low	57.6	Low	85 Å²	85	72.4 Å²	72.4	40%	0.397	39%	0.386	S	S	.	.	H	α-helix	trans	-67	-41.1	173.9	-73.7	176.7	161.6	0	0	111.6	F148 R149 S150 I156 H157	F148-E153 HydrophobicContact CB-CB 3.93Å; F148-E153 HydrophobicContact CD1-CB 4.03Å; F148-E153 HydrophobicContact CG-CB 4.29Å; R149-E153 WeakPolarHBondContact CA-OE2 3.44Å; R149-E153 WeakPolarHBondContact CB-OE2 3.43Å; R149-E153 PolarHBondContact N-OE2 2.98Å; S150-E153 PolarHBondContact O-N 3.27Å; S150-E153 WeakPolarHBondContact OG-CG 3.45Å; S150-E153 PolarHBondContact OG-N 3.26Å; E153-I156 PolarHBondContact O-N 2.75Å; E153-H157 WeakPolarHBondContact O-CB 3.08Å; E153-H157 PolarHBondContact O-N 2.87Å
154	V	63.8	Low	57.8	Low	18 Å²	18	72.2 Å²	72.2	11%	0.109	39%	0.386	C	S	.	.	H	α-helix	trans	-59.3	-47.8	172.3	-177	0	0	0	0	110.9	H139 E140 F148 S150 I156 H157 M158	H139-V154 HydrophobicContact CB-CG2 3.47Å; H139-V154 VanDerWaalsContact CB-CG2 3.47Å; H139-V154 WeakPolarHBondContact O-CG2 3.42Å; E140-V154 WeakPolarHBondContact O-CG1 3.4Å; F148-V154 HydrophobicContact CB-CG2 3.79Å; F148-V154 HydrophobicContact CD2-CG2 3.86Å; F148-V154 HydrophobicContact CG-CG2 4.13Å; S150-V154 PolarHBondContact O-N 3.49Å; V154-I156 VanDerWaalsContact C-N 3.3Å; V154-I156 PolarHBondContact O-N 2.95Å; V154-H157 CarbonylContact O-C 3.5Å; V154-H157 WeakPolarHBondContact O-CA 3.25Å; V154-H157 WeakPolarHBondContact O-CB 3.25Å; V154-H157 PolarHBondContact O-N 3.18Å; V154-M158 HydrophobicContact CG1-CG 4.12Å; V154-M158 WeakPolarHBondContact O-CG 3.46Å; V154-M158 PolarHBondContact O-N 2.81Å
155	K	63.5	Low	58.6	Low	157 Å²	157	75.6 Å²	75.6	68%	0.683	40%	0.395	S	S	*	.	H	α-helix	trans	-58.5	-39.5	178.4	-76.9	-177.7	177.5	-169	0	112.6	K151 G152 H157	K151-K155 WeakPolarHBondContact O-CG 3.48Å; K151-K155 PolarHBondContact O-N 2.78Å; G152-K155 PolarHBondContact O-N 3.22Å; K155-H157 VanDerWaalsContact C-N 3.35Å
156	I	60.9	Low	59.5	Low	91 Å²	91	77 Å²	77	47%	0.467	40%	0.395	S	S	.	.	H	α-helix	trans	-71.4	-31	174.5	-65.2	167.6	0	0	0	111.6	G152 E153 V154 L159	G152-I156 WeakPolarHBondContact O-CG1 3.43Å; G152-I156 PolarHBondContact O-N 3.38Å; G152-I156 VanDerWaalsContact O-N 3.08Å; E153-I156 PolarHBondContact O-N 2.75Å; V154-I156 VanDerWaalsContact C-N 3.3Å; V154-I156 PolarHBondContact O-N 2.95Å; I156-L159 WeakPolarHBondContact O-CB 3.13Å
157	H	62.6	Low	60.3	Low	18 Å²	18	74.6 Å²	74.6	8%	0.083	39%	0.386	C	S	.	.	H	α-helix	trans	-73.5	-35.4	175.6	176.8	59.9	0	0	0	113.2	C141 C144 F148 E153 V154 K155 L159 I160 H161	C141-H157 PolarHBondContact SG-CD2 3.26Å; C144-H157 PolarHBondContact SG-NE2 2.99Å; F148-H157 HydrophobicContact CE1-CB 4.04Å; F148-H157 HydrophobicContact CE2-CB 3.99Å; F148-H157 AromaticContact CE2-CD2 3.33Å; F148-H157 WeakPolarHBondContact CE2-CD2 3.26Å; F148-H157 AromaticContact CE2-CG 3.6Å; F148-H157 AromaticContact CE2-NE2 3.96Å; F148-H157 HydrophobicContact CZ-CB 3.63Å; F148-H157 AromaticContact CZ-CD2 3.42Å; F148-H157 VanDerWaalsContact CZ-CD2 3.42Å; F148-H157 WeakPolarHBondContact CZ-CD2 3.42Å; F148-H157 AromaticContact CZ-CG 3.23Å; F148-H157 AromaticContact CZ-ND1 3.63Å; F148-H157 AromaticContact CZ-NE2 3.91Å; E153-H157 WeakPolarHBondContact O-CB 3.08Å; E153-H157 PolarHBondContact O-N 2.87Å; V154-H157 CarbonylContact O-C 3.5Å; V154-H157 WeakPolarHBondContact O-CA 3.25Å; V154-H157 WeakPolarHBondContact O-CB 3.25Å; V154-H157 PolarHBondContact O-N 3.18Å; K155-H157 VanDerWaalsContact C-N 3.35Å; H157-L159 PolarHBondContact O-N 3.15Å; H157-I160 WeakPolarHBondContact O-CB 3.38Å; H157-I160 VanDerWaalsContact O-CG1 3.26Å; H157-I160 WeakPolarHBondContact O-CG1 3.24Å; H157-I160 PolarHBondContact O-N 2.83Å; H157-H161 AromaticContact CE1-NE2 3.97Å; H157-H161 AromaticContact NE2-NE2 3.41Å; H157-H161 PolarHBondContact NE2-NE2 2.88Å
158	M	58.3	Low	60.4	Low	44 Å²	44	79 Å²	79	22%	0.217	40%	0.398	C	S	.	.	H	α-helix	trans	-60.9	-27.5	176.4	-71.2	-61	-74.9	0	0	112.6	C141 Q143 V154 I160 H161 T162	C141-M158 PolarHBondContact SG-SD 2.79Å; Q143-M158 HydrophobicContact CG-CE 4.34Å; V154-M158 HydrophobicContact CG1-CG 4.12Å; V154-M158 WeakPolarHBondContact O-CG 3.46Å; V154-M158 PolarHBondContact O-N 2.81Å; M158-I160 PolarHBondContact O-N 3.18Å; M158-H161 PolarHBondContact O-N 3.21Å; M158-T162 PolarHBondContact O-N 3.5Å; M158-T162 PolarHBondContact O-OG1 3.31Å
159	L	65.4	Low	60.6	Low	22 Å²	22	76.9 Å²	76.9	12%	0.115	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-10.6	170.1	-55.2	174.9	0	0	0	114	I156 H157 G163 E164 P166 R177	I156-L159 WeakPolarHBondContact O-CB 3.13Å; H157-L159 PolarHBondContact O-N 3.15Å; L159-G163 PolarHBondContact O-N 3.48Å; L159-E164 HydrophobicContact CD2-CB 3.78Å; L159-P166 HydrophobicContact CD1-CG 4.03Å; L159-P166 HydrophobicContact CD2-CG 3.95Å; L159-R177 HydrophobicContact CB-CB 4.37Å; L159-R177 HydrophobicContact CB-CG 4.05Å; L159-R177 HydrophobicContact CD1-CB 3.99Å; L159-R177 HydrophobicContact CD1-CG 4.48Å
160	I	54.8	Low	61.2	Low	89 Å²	89	76.8 Å²	76.8	46%	0.456	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-34.7	170	-56	-170.6	0	0	0	110.8	H157 M158	H157-I160 WeakPolarHBondContact O-CB 3.38Å; H157-I160 VanDerWaalsContact O-CG1 3.26Å; H157-I160 WeakPolarHBondContact O-CG1 3.24Å; H157-I160 PolarHBondContact O-N 2.83Å; M158-I160 PolarHBondContact O-N 3.18Å
161	H	53.7	Low	60.8	Low	68 Å²	68	80.2 Å²	80.2	32%	0.315	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-43.9	-178.3	-56.6	-66.2	0	0	0	112.2	C141 C144 H157 M158 G163	C141-H161 PolarHBondContact SG-NE2 2.82Å; C144-H161 PolarHBondContact SG-NE2 3.1Å; H157-H161 AromaticContact CE1-NE2 3.97Å; H157-H161 AromaticContact NE2-NE2 3.41Å; H157-H161 PolarHBondContact NE2-NE2 2.88Å; M158-H161 PolarHBondContact O-N 3.21Å; H161-G163 PolarHBondContact O-N 3.39Å
162	T	57.2	Low	60.5	Low	77 Å²	77	76 Å²	76	47%	0.472	40%	0.399	S	S	.	.	S	Bend	trans	-70.4	-15.7	173.6	67	0	0	0	0	112.6	M158 E164	M158-T162 PolarHBondContact O-N 3.5Å; M158-T162 PolarHBondContact O-OG1 3.31Å; T162-E164 PolarHBondContact O-N 3.25Å; T162-E164 VanDerWaalsContact O-N 3.13Å; T162-E164 WeakPolarHBondContact OG1-CB 3.42Å; T162-E164 WeakPolarHBondContact OG1-CG 3.44Å; T162-E164 PolarHBondContact OG1-N 3.11Å; T162-E164 PolarHBondContact OG1-OE2 3.05Å; T162-E164 VanDerWaalsContact OG1-OE2 3.04Å
163	G	52	Low	60.1	Low	43 Å²	43	76.5 Å²	76.5	44%	0.443	40%	0.404	S	S	.	.			trans	71	-2.5	-176.8	0	0	0	0	0	114.7	L159 H161	L159-G163 PolarHBondContact O-N 3.48Å; H161-G163 PolarHBondContact O-N 3.39Å
164	E	58.6	Low	60.1	Low	117 Å²	117	78.4 Å²	78.4	55%	0.547	41%	0.411	S	S	.	.			trans	-63.8	149.6	-177.5	-70	178.3	130.6	0	0	113.1	L159 T162	L159-E164 HydrophobicContact CD2-CB 3.78Å; T162-E164 PolarHBondContact O-N 3.25Å; T162-E164 VanDerWaalsContact O-N 3.13Å; T162-E164 WeakPolarHBondContact OG1-CB 3.42Å; T162-E164 WeakPolarHBondContact OG1-CG 3.44Å; T162-E164 PolarHBondContact OG1-N 3.11Å; T162-E164 PolarHBondContact OG1-OE2 3.05Å; T162-E164 VanDerWaalsContact OG1-OE2 3.04Å
165	K	67.4	Low	60.1	Low	116 Å²	116	79.6 Å²	79.6	50%	0.504	42%	0.42	S	S	.	.			trans	-141	79.2	-175.5	-64.1	-179	-161.6	165.9	0	110.1	H167 S175 F176 R177	K165-H167 PolarHBondContact O-N 3.24Å; K165-S175 VanDerWaalsContact CB-CB 3.49Å; K165-S175 VanDerWaalsContact CD-O 3.24Å; K165-S175 WeakPolarHBondContact CD-O 3.23Å; K165-S175 WeakPolarHBondContact O-CB 3.21Å; K165-F176 CarbonylContact C-O 3.59Å; K165-F176 WeakPolarHBondContact CA-O 3.35Å; K165-R177 HydrophobicContact CG-CG 4.23Å
166	P	69.8	Low	60.4	Low	78 Å²	78	74.1 Å²	74.1	51%	0.506	40%	0.396	S	S	.	.			trans	-65.5	-11.6	-167.6	-24.9	36.2	0	0	0	115.9	L159	L159-P166 HydrophobicContact CD1-CG 4.03Å; L159-P166 HydrophobicContact CD2-CG 3.95Å
167	H	70	Confident	60.6	Low	59 Å²	59	73.8 Å²	73.8	27%	0.273	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	101.2	-174.6	-56.9	-47	0	0	0	111.3	K165 S175 F176 S178 K179 V182	K165-H167 PolarHBondContact O-N 3.24Å; H167-S175 CarbonylContact O-C 3.32Å; H167-F176 PolarHBondContact N-O 3.49Å; H167-F176 PolarHBondContact O-N 2.81Å; H167-S178 VanDerWaalsContact CD2-C 3.4Å; H167-K179 PolarHBondContact CD2-N 2.82Å; H167-K179 VanDerWaalsContact CD2-N 3.34Å; H167-V182 HydrophobicContact CB-CG2 3.6Å
168	K	57.2	Low	60.9	Low	145 Å²	145	74.7 Å²	74.7	63%	0.63	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	156.2	177.4	-54.4	-169	177.7	175.2	0	111	K174	K168-K174 CarbonylContact C-O 3.56Å; K168-K174 WeakPolarHBondContact CA-O 3.15Å
169	C	65.8	Low	61.3	Low	0 Å²	0	79.7 Å²	79.7	0%	0	42%	0.418	C	S	.	.			trans	-100.9	116.5	169.7	171.8	0	0	0	0	108.9	Q171 C172 G173 K174 F176	C169-Q171 PolarHBondContact O-N 2.86Å; C169-Q171 VanDerWaalsContact O-N 3.08Å; C169-C172 PolarHBondContact O-N 2.73Å; C169-G173 WeakPolarHBondContact O-CA 3.46Å; C169-G173 PolarHBondContact O-N 3.15Å; C169-K174 WeakPolarHBondContact CB-O 3.45Å; C169-K174 PolarHBondContact N-O 3.14Å; C169-F176 HydrophobicContact CB-CE2 4.26Å
170	D	63.2	Low	61.2	Low	158 Å²	158	80.5 Å²	80.5	85%	0.845	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-18.8	-171	-45.5	-51.2	0	0	0	113.2
171	Q	53.8	Low	61.4	Low	118 Å²	118	79 Å²	79	55%	0.551	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-8.5	-179.8	-62.5	-167.1	11.2	0	0	115.2	C169 M186 H189	C169-Q171 PolarHBondContact O-N 2.86Å; C169-Q171 VanDerWaalsContact O-N 3.08Å; Q171-M186 HydrophobicContact CG-CE 4.28Å; Q171-H189 WeakPolarHBondContact CB-ND1 3.28Å; Q171-H189 VanDerWaalsContact OE1-CB 3.29Å; Q171-H189 PolarHBondContact OE1-ND1 3.15Å
172	C	56	Low	61.9	Low	54 Å²	54	76.9 Å²	76.9	37%	0.365	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154	12.2	175	69.1	0	0	0	0	116.1	C169 K174 H185 H189	C169-C172 PolarHBondContact O-N 2.73Å; C172-K174 PolarHBondContact O-N 3.09Å; C172-H185 PolarHBondContact SG-NE2 3.4Å; C172-H189 PolarHBondContact SG-NE2 3.38Å; C172-H189 VanDerWaalsContact SG-NE2 3.39Å
173	G	53.2	Low	62.4	Low	49 Å²	49	80.7 Å²	80.7	51%	0.505	43%	0.425	S	S	.	.			trans	68.3	-9.8	179	0	0	0	0	0	115.7	C169 S175	C169-G173 WeakPolarHBondContact O-CA 3.46Å; C169-G173 PolarHBondContact O-N 3.15Å; G173-S175 PolarHBondContact O-N 2.91Å; G173-S175 PolarHBondContact O-OG 2.85Å
174	K	54.3	Low	62.7	Low	126 Å²	126	82.9 Å²	82.9	55%	0.548	43%	0.425	S	S	.	.			trans	-58.6	131.4	-178.9	-73.7	179.8	-176.3	167.9	0	110.6	K168 C169 C172 F176	K168-K174 CarbonylContact C-O 3.56Å; K168-K174 WeakPolarHBondContact CA-O 3.15Å; C169-K174 WeakPolarHBondContact CB-O 3.45Å; C169-K174 PolarHBondContact N-O 3.14Å; C172-K174 PolarHBondContact O-N 3.09Å; K174-F176 HydrophobicContact CB-CE2 3.65Å; K174-F176 HydrophobicContact CB-CZ 3.96Å; K174-F176 WeakPolarHBondContact O-CD2 3.48Å; K174-F176 VanDerWaalsContact O-CE2 3.26Å; K174-F176 WeakPolarHBondContact O-CE2 3.2Å
175	S	63.9	Low	63	Low	42 Å²	42	78 Å²	78	29%	0.294	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	140.8	-171.4	-55.4	0	0	0	0	110.6	K165 H167 G173	K165-S175 VanDerWaalsContact CB-CB 3.49Å; K165-S175 VanDerWaalsContact CD-O 3.24Å; K165-S175 WeakPolarHBondContact CD-O 3.23Å; K165-S175 WeakPolarHBondContact O-CB 3.21Å; H167-S175 CarbonylContact O-C 3.32Å; G173-S175 PolarHBondContact O-N 2.91Å; G173-S175 PolarHBondContact O-OG 2.85Å
176	F	71.5	Confident	62.7	Low	43 Å²	43	74.9 Å²	74.9	19%	0.189	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	163	-174.5	-59.3	-91.5	0	0	0	111.6	K165 H167 C169 K174 E181 V182 H185	K165-F176 CarbonylContact C-O 3.59Å; K165-F176 WeakPolarHBondContact CA-O 3.35Å; H167-F176 PolarHBondContact N-O 3.49Å; H167-F176 PolarHBondContact O-N 2.81Å; C169-F176 HydrophobicContact CB-CE2 4.26Å; K174-F176 HydrophobicContact CB-CE2 3.65Å; K174-F176 HydrophobicContact CB-CZ 3.96Å; K174-F176 WeakPolarHBondContact O-CD2 3.48Å; K174-F176 VanDerWaalsContact O-CE2 3.26Å; K174-F176 WeakPolarHBondContact O-CE2 3.2Å; F176-E181 HydrophobicContact CB-CB 3.88Å; F176-E181 HydrophobicContact CD1-CB 3.88Å; F176-E181 HydrophobicContact CG-CB 4.17Å; F176-V182 HydrophobicContact CB-CG2 3.8Å; F176-V182 HydrophobicContact CD2-CG2 3.84Å; F176-V182 HydrophobicContact CG-CG2 4.07Å; F176-H185 HydrophobicContact CE1-CB 4.01Å; F176-H185 HydrophobicContact CE2-CB 4.08Å; F176-H185 AromaticContact CE2-CD2 3.15Å; F176-H185 WeakPolarHBondContact CE2-CD2 3.21Å; F176-H185 AromaticContact CE2-CG 3.71Å; F176-H185 AromaticContact CE2-NE2 3.86Å; F176-H185 HydrophobicContact CZ-CB 3.63Å; F176-H185 AromaticContact CZ-CD2 3.18Å; F176-H185 WeakPolarHBondContact CZ-CD2 3.39Å; F176-H185 AromaticContact CZ-CG 3.28Å; F176-H185 AromaticContact CZ-ND1 3.96Å; F176-H185 AromaticContact CZ-NE2 3.78Å
177	R	64.1	Low	62.5	Low	84 Å²	84	72.4 Å²	72.4	32%	0.317	37%	0.372	S	S	.	.	S	Bend	trans	-91.1	-20.9	-175.4	-59.4	165.6	-62.5	-171.7	6	112.8	L159 K165 E181	L159-R177 HydrophobicContact CB-CB 4.37Å; L159-R177 HydrophobicContact CB-CG 4.05Å; L159-R177 HydrophobicContact CD1-CB 3.99Å; L159-R177 HydrophobicContact CD1-CG 4.48Å; K165-R177 HydrophobicContact CG-CG 4.23Å; R177-E181 WeakPolarHBondContact CA-OE2 3.3Å; R177-E181 WeakPolarHBondContact CB-OE2 3.46Å; R177-E181 IonicContact CZ-OE1 3.67Å; R177-E181 PolarHBondContact N-OE2 2.95Å; R177-E181 IonicContact NE-OE1 2.83Å; R177-E181 PolarHBondContact NE-OE1 3.02Å; R177-E181 IonicContact NE-OE2 3.46Å; R177-E181 IonicContact NH2-OE1 2.9Å; R177-E181 PolarHBondContact NH2-OE1 2.8Å
178	S	69	Low	61.7	Low	36 Å²	36	74.2 Å²	74.2	25%	0.252	38%	0.383	S	S	.	.	S	Bend	trans	-134.5	150.8	174.1	76.3	0	0	0	0	113.1	H167 G180 E181 V182	H167-S178 VanDerWaalsContact CD2-C 3.4Å; S178-G180 PolarHBondContact O-N 3.07Å; S178-G180 VanDerWaalsContact O-N 3.15Å; S178-G180 PolarHBondContact OG-N 3.2Å; S178-E181 PolarHBondContact N-OE2 3.43Å; S178-E181 VanDerWaalsContact N-OE2 3.13Å; S178-E181 WeakPolarHBondContact O-CB 3.03Å; S178-E181 PolarHBondContact O-N 3.49Å; S178-E181 VanDerWaalsContact O-N 3.12Å; S178-E181 WeakPolarHBondContact OG-CG 3.3Å; S178-E181 PolarHBondContact OG-N 3.3Å; S178-E181 VanDerWaalsContact OG-N 3.15Å; S178-V182 PolarHBondContact O-N 3.27Å
179	K	66.6	Low	61.7	Low	150 Å²	150	70.5 Å²	70.5	65%	0.652	37%	0.368	S	S	*	.	H	α-helix	trans	-60.1	-21.4	172	-61	-177.2	-178.6	178.7	0	112.7	H167 K183	H167-K179 PolarHBondContact CD2-N 2.82Å; H167-K179 VanDerWaalsContact CD2-N 3.34Å; K179-K183 WeakPolarHBondContact O-CG 3.37Å; K179-K183 PolarHBondContact O-N 3.24Å
180	G	64.3	Low	61.3	Low	39 Å²	39	74.1 Å²	74.1	40%	0.402	39%	0.39	S	S	.	.	H	α-helix	trans	-72.4	-42.9	173.4	0	0	0	0	0	113	S178 V182 K183 I184	S178-G180 PolarHBondContact O-N 3.07Å; S178-G180 VanDerWaalsContact O-N 3.15Å; S178-G180 PolarHBondContact OG-N 3.2Å; G180-V182 VanDerWaalsContact C-N 3.33Å; G180-V182 PolarHBondContact O-N 3.19Å; G180-K183 PolarHBondContact O-N 2.83Å; G180-I184 PolarHBondContact O-N 2.92Å; G180-I184 VanDerWaalsContact O-N 3.13Å
181	E	57.9	Low	60.8	Low	58 Å²	58	69 Å²	69	27%	0.271	37%	0.374	S	S	.	.	H	α-helix	trans	-59.8	-42.8	172.7	-72	173.8	150.6	0	0	111	F176 R177 S178 K183 I184 H185	F176-E181 HydrophobicContact CB-CB 3.88Å; F176-E181 HydrophobicContact CD1-CB 3.88Å; F176-E181 HydrophobicContact CG-CB 4.17Å; R177-E181 WeakPolarHBondContact CA-OE2 3.3Å; R177-E181 WeakPolarHBondContact CB-OE2 3.46Å; R177-E181 IonicContact CZ-OE1 3.67Å; R177-E181 PolarHBondContact N-OE2 2.95Å; R177-E181 IonicContact NE-OE1 2.83Å; R177-E181 PolarHBondContact NE-OE1 3.02Å; R177-E181 IonicContact NE-OE2 3.46Å; R177-E181 IonicContact NH2-OE1 2.9Å; R177-E181 PolarHBondContact NH2-OE1 2.8Å; S178-E181 PolarHBondContact N-OE2 3.43Å; S178-E181 VanDerWaalsContact N-OE2 3.13Å; S178-E181 WeakPolarHBondContact O-CB 3.03Å; S178-E181 PolarHBondContact O-N 3.49Å; S178-E181 VanDerWaalsContact O-N 3.12Å; S178-E181 WeakPolarHBondContact OG-CG 3.3Å; S178-E181 PolarHBondContact OG-N 3.3Å; S178-E181 VanDerWaalsContact OG-N 3.15Å; E181-K183 PolarHBondContact O-N 3.2Å; E181-I184 PolarHBondContact O-N 2.93Å; E181-H185 WeakPolarHBondContact O-CB 3.41Å; E181-H185 PolarHBondContact O-N 3.35Å
182	V	65.4	Low	60.9	Low	22 Å²	22	68.7 Å²	68.7	13%	0.133	37%	0.373	C	S	.	.	H	α-helix	trans	-59.8	-46.3	174.9	-176	0	0	0	0	111.4	H167 F176 S178 G180 I184 H185 M186	H167-V182 HydrophobicContact CB-CG2 3.6Å; F176-V182 HydrophobicContact CB-CG2 3.8Å; F176-V182 HydrophobicContact CD2-CG2 3.84Å; F176-V182 HydrophobicContact CG-CG2 4.07Å; S178-V182 PolarHBondContact O-N 3.27Å; G180-V182 VanDerWaalsContact C-N 3.33Å; G180-V182 PolarHBondContact O-N 3.19Å; V182-I184 VanDerWaalsContact C-N 3.34Å; V182-I184 PolarHBondContact O-N 3.44Å; V182-H185 CarbonylContact O-C 3.59Å; V182-H185 WeakPolarHBondContact O-CA 3.34Å; V182-H185 WeakPolarHBondContact O-CB 3.23Å; V182-H185 PolarHBondContact O-N 3.49Å; V182-M186 HydrophobicContact CG1-CG 4.3Å; V182-M186 WeakPolarHBondContact O-CG 3.42Å; V182-M186 PolarHBondContact O-N 2.96Å
183	K	66.4	Low	61.4	Low	158 Å²	158	71.8 Å²	71.8	69%	0.687	38%	0.38	S	S	*	.	H	α-helix	trans	-59.4	-42.1	179	-77.3	-179.9	177.4	-173.7	0	112.8	K179 G180 E181 H185 M186	K179-K183 WeakPolarHBondContact O-CG 3.37Å; K179-K183 PolarHBondContact O-N 3.24Å; G180-K183 PolarHBondContact O-N 2.83Å; E181-K183 PolarHBondContact O-N 3.2Å; K183-H185 VanDerWaalsContact C-N 3.31Å; K183-M186 PolarHBondContact O-N 3.3Å
184	I	58.9	Low	62.1	Low	89 Å²	89	73.2 Å²	73.2	46%	0.456	38%	0.38	S	S	.	.	H	α-helix	trans	-69.2	-32.7	175.8	-62.2	169.8	0	0	0	110.8	G180 E181 V182 L187	G180-I184 PolarHBondContact O-N 2.92Å; G180-I184 VanDerWaalsContact O-N 3.13Å; E181-I184 PolarHBondContact O-N 2.93Å; V182-I184 VanDerWaalsContact C-N 3.34Å; V182-I184 PolarHBondContact O-N 3.44Å; I184-L187 WeakPolarHBondContact O-CB 3.22Å; I184-L187 PolarHBondContact O-N 3.4Å
185	H	65.5	Low	62.7	Low	14 Å²	14	69.8 Å²	69.8	7%	0.065	37%	0.366	C	S	.	.	H	α-helix	trans	-69.8	-35.6	174.6	175.7	44	0	0	0	113.4	C172 F176 E181 V182 K183 L187 I188 H189	C172-H185 PolarHBondContact SG-NE2 3.4Å; F176-H185 HydrophobicContact CE1-CB 4.01Å; F176-H185 HydrophobicContact CE2-CB 4.08Å; F176-H185 AromaticContact CE2-CD2 3.15Å; F176-H185 WeakPolarHBondContact CE2-CD2 3.21Å; F176-H185 AromaticContact CE2-CG 3.71Å; F176-H185 AromaticContact CE2-NE2 3.86Å; F176-H185 HydrophobicContact CZ-CB 3.63Å; F176-H185 AromaticContact CZ-CD2 3.18Å; F176-H185 WeakPolarHBondContact CZ-CD2 3.39Å; F176-H185 AromaticContact CZ-CG 3.28Å; F176-H185 AromaticContact CZ-ND1 3.96Å; F176-H185 AromaticContact CZ-NE2 3.78Å; E181-H185 WeakPolarHBondContact O-CB 3.41Å; E181-H185 PolarHBondContact O-N 3.35Å; V182-H185 CarbonylContact O-C 3.59Å; V182-H185 WeakPolarHBondContact O-CA 3.34Å; V182-H185 WeakPolarHBondContact O-CB 3.23Å; V182-H185 PolarHBondContact O-N 3.49Å; K183-H185 VanDerWaalsContact C-N 3.31Å; H185-L187 PolarHBondContact O-N 3.38Å; H185-I188 VanDerWaalsContact O-CB 3.24Å; H185-I188 WeakPolarHBondContact O-CB 3.45Å; H185-I188 WeakPolarHBondContact O-CG1 3.42Å; H185-I188 PolarHBondContact O-N 3.05Å; H185-H189 AromaticContact CE1-NE2 3.89Å; H185-H189 AromaticContact NE2-NE2 3.84Å
186	M	59.8	Low	62.1	Low	50 Å²	50	73 Å²	73	25%	0.246	38%	0.377	C	S	.	.	H	α-helix	trans	-60.2	-25.2	176.4	-70.1	-59.9	-67.3	0	0	112.8	Q171 V182 K183 I188 H189 T190	Q171-M186 HydrophobicContact CG-CE 4.28Å; V182-M186 HydrophobicContact CG1-CG 4.3Å; V182-M186 WeakPolarHBondContact O-CG 3.42Å; V182-M186 PolarHBondContact O-N 2.96Å; K183-M186 PolarHBondContact O-N 3.3Å; M186-I188 PolarHBondContact O-N 2.9Å; M186-I188 VanDerWaalsContact O-N 3.16Å; M186-H189 WeakPolarHBondContact O-CA 3.48Å; M186-H189 WeakPolarHBondContact O-CB 3.44Å; M186-H189 PolarHBondContact O-N 3.35Å; M186-T190 PolarHBondContact O-N 3.12Å; M186-T190 PolarHBondContact O-OG1 2.96Å
187	L	65.4	Low	61.7	Low	26 Å²	26	70.9 Å²	70.9	14%	0.136	37%	0.368	C	S	.	.	H	α-helix	trans	-62.2	-17.8	171.5	-57.6	175	0	0	0	113.5	I184 H185 H189 G191 E192 P194 R205	I184-L187 WeakPolarHBondContact O-CB 3.22Å; I184-L187 PolarHBondContact O-N 3.4Å; H185-L187 PolarHBondContact O-N 3.38Å; L187-H189 VanDerWaalsContact C-N 3.33Å; L187-G191 PolarHBondContact O-N 3Å; L187-E192 HydrophobicContact CD2-CB 3.86Å; L187-P194 HydrophobicContact CD1-CG 4.24Å; L187-P194 HydrophobicContact CD2-CG 3.98Å; L187-R205 HydrophobicContact CB-CB 4.41Å; L187-R205 HydrophobicContact CB-CG 4.07Å; L187-R205 HydrophobicContact CD1-CB 3.94Å; L187-R205 HydrophobicContact CD1-CG 4.43Å
188	I	54.4	Low	61.4	Low	97 Å²	97	74.2 Å²	74.2	50%	0.497	39%	0.391	S	S	.	.	H	α-helix	trans	-75.3	-26.8	171.1	-54.3	-173	0	0	0	111	H185 M186	H185-I188 VanDerWaalsContact O-CB 3.24Å; H185-I188 WeakPolarHBondContact O-CB 3.45Å; H185-I188 WeakPolarHBondContact O-CG1 3.42Å; H185-I188 PolarHBondContact O-N 3.05Å; M186-I188 PolarHBondContact O-N 2.9Å; M186-I188 VanDerWaalsContact O-N 3.16Å
189	H	56.2	Low	60.6	Low	68 Å²	68	78.2 Å²	78.2	32%	0.315	41%	0.406	S	S	.	.	H	α-helix	trans	-89.9	-41.7	-179.9	-74.9	-94.8	0	0	0	112.7	Q171 C172 H185 M186 L187 G191	Q171-H189 WeakPolarHBondContact CB-ND1 3.28Å; Q171-H189 VanDerWaalsContact OE1-CB 3.29Å; Q171-H189 PolarHBondContact OE1-ND1 3.15Å; C172-H189 PolarHBondContact SG-NE2 3.38Å; C172-H189 VanDerWaalsContact SG-NE2 3.39Å; H185-H189 AromaticContact CE1-NE2 3.89Å; H185-H189 AromaticContact NE2-NE2 3.84Å; M186-H189 WeakPolarHBondContact O-CA 3.48Å; M186-H189 WeakPolarHBondContact O-CB 3.44Å; M186-H189 PolarHBondContact O-N 3.35Å; L187-H189 VanDerWaalsContact C-N 3.33Å; H189-G191 VanDerWaalsContact C-N 3.29Å
190	T	57.3	Low	60	Low	76 Å²	76	73.3 Å²	73.3	47%	0.466	39%	0.39	S	S	.	.	H	α-helix	trans	-77.4	-15.6	175.8	59.9	0	0	0	0	113	M186 E192	M186-T190 PolarHBondContact O-N 3.12Å; M186-T190 PolarHBondContact O-OG1 2.96Å; T190-E192 VanDerWaalsContact CB-OE2 3.25Å; T190-E192 WeakPolarHBondContact CB-OE2 3.44Å; T190-E192 PolarHBondContact O-N 2.95Å; T190-E192 WeakPolarHBondContact OG1-CB 3.37Å; T190-E192 WeakPolarHBondContact OG1-CG 3.38Å; T190-E192 PolarHBondContact OG1-OE2 3.1Å
191	G	52.3	Low	59.3	Low	50 Å²	50	73.3 Å²	73.3	52%	0.515	39%	0.391	S	S	.	.			trans	73.6	-5.5	-174.8	0	0	0	0	0	114.3	L187 H189	L187-G191 PolarHBondContact O-N 3Å; H189-G191 VanDerWaalsContact C-N 3.29Å
192	E	56.9	Low	58.9	Low	111 Å²	111	76.4 Å²	76.4	52%	0.519	40%	0.403	S	S	.	.			trans	-61.8	141.7	-179.5	-66.5	168.3	130.5	0	0	111.6	L187 T190	L187-E192 HydrophobicContact CD2-CB 3.86Å; T190-E192 VanDerWaalsContact CB-OE2 3.25Å; T190-E192 WeakPolarHBondContact CB-OE2 3.44Å; T190-E192 PolarHBondContact O-N 2.95Å; T190-E192 WeakPolarHBondContact OG1-CB 3.37Å; T190-E192 WeakPolarHBondContact OG1-CG 3.38Å; T190-E192 PolarHBondContact OG1-OE2 3.1Å
193	K	65.7	Low	58.5	Low	120 Å²	120	77.2 Å²	77.2	52%	0.522	41%	0.41	S	S	.	.			trans	-136	77.2	180	-65.3	-176	-148.3	159	0	109.6	H195 S203 F204 R205	K193-H195 PolarHBondContact O-N 3.08Å; K193-S203 WeakPolarHBondContact CD-O 3.39Å; K193-S203 WeakPolarHBondContact O-CB 3.48Å; K193-F204 CarbonylContact C-O 3.48Å; K193-F204 VanDerWaalsContact CA-O 3.3Å; K193-F204 WeakPolarHBondContact CA-O 3.19Å; K193-R205 HydrophobicContact CG-CG 4.34Å
194	P	68.3	Low	58.6	Low	78 Å²	78	71.9 Å²	71.9	51%	0.506	39%	0.387	S	S	.	.			trans	-69.8	7.7	-162.7	-22	35.4	0	0	0	116.7	L187	L187-P194 HydrophobicContact CD1-CG 4.24Å; L187-P194 HydrophobicContact CD2-CG 3.98Å
195	H	66.5	Low	58.7	Low	54 Å²	54	72.1 Å²	72.1	25%	0.25	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-134.5	101.2	-175.4	-57.7	-38.3	0	0	0	110.4	K193 F204 S206 K207 V210	K193-H195 PolarHBondContact O-N 3.08Å; H195-F204 PolarHBondContact N-O 2.89Å; H195-F204 PolarHBondContact O-N 3.2Å; H195-S206 VanDerWaalsContact CD2-C 3.43Å; H195-K207 HydrophobicContact CB-CG 4.42Å; H195-K207 PolarHBondContact CD2-N 3.34Å; H195-K207 VanDerWaalsContact CD2-N 3.31Å; H195-K207 WeakPolarHBondContact CE1-CE 3.33Å; H195-K207 WeakPolarHBondContact ND1-CE 3.25Å; H195-V210 HydrophobicContact CB-CG2 3.65Å; H195-V210 WeakPolarHBondContact O-CG2 3.43Å
196	E	52.1	Low	58.7	Low	109 Å²	109	73 Å²	73	51%	0.509	39%	0.39	S	S	.	.			trans	-78.6	170.1	-180	-154.8	148.9	127.4	0	0	113.2	G201 K202 V210	E196-G201 WeakPolarHBondContact OE1-CA 3.22Å; E196-K202 CarbonylContact C-O 3.44Å; E196-V210 WeakPolarHBondContact O-CG1 3.44Å
197	C	61.9	Low	58.9	Low	0 Å²	0	77.5 Å²	77.5	0%	0	41%	0.408	C	S	.	.			trans	-113.1	105.8	168	173.6	0	0	0	0	108.5	Q199 C200 G201 K202 F204 H213 M214 H217	C197-Q199 PolarHBondContact O-N 3.1Å; C197-C200 PolarHBondContact O-N 2.83Å; C197-C200 VanDerWaalsContact SG-SG 3.64Å; C197-G201 PolarHBondContact O-N 3.19Å; C197-K202 HydrophobicContact CB-CB 4.5Å; C197-K202 VanDerWaalsContact CB-O 3.3Å; C197-K202 WeakPolarHBondContact CB-O 3.25Å; C197-K202 PolarHBondContact N-O 3.2Å; C197-F204 HydrophobicContact CB-CE2 4.28Å; C197-H213 PolarHBondContact SG-CD2 3.47Å; C197-M214 PolarHBondContact SG-SD 3.23Å; C197-H217 PolarHBondContact SG-NE2 3.38Å
198	D	58.3	Low	58.7	Low	153 Å²	153	78.2 Å²	78.2	82%	0.818	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-13.3	-174.6	-35.3	-39.2	0	0	0	114.5
199	Q	53.6	Low	58.8	Low	120 Å²	120	76.2 Å²	76.2	56%	0.561	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-7.1	179.9	-66.6	-176	-18.7	0	0	114.6	C197 M214	C197-Q199 PolarHBondContact O-N 3.1Å; Q199-M214 HydrophobicContact CG-CE 4.2Å
200	C	53.6	Low	59.2	Low	47 Å²	47	74 Å²	74	32%	0.318	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-159.5	13.8	179.7	69.3	0	0	0	0	116.4	C197 K202 H213 H217	C197-C200 PolarHBondContact O-N 2.83Å; C197-C200 VanDerWaalsContact SG-SG 3.64Å; C200-K202 PolarHBondContact O-N 3.39Å; C200-H213 PolarHBondContact SG-NE2 3.2Å; C200-H213 VanDerWaalsContact SG-NE2 3.36Å; C200-H217 WeakPolarHBondContact CB-CE1 3.47Å; C200-H217 PolarHBondContact SG-CE1 3.26Å; C200-H217 PolarHBondContact SG-NE2 3.27Å
201	G	48.1	Very low	59.5	Low	40 Å²	40	78.1 Å²	78.1	41%	0.412	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	3.2	178.8	0	0	0	0	0	115.6	E196 C197 S203	E196-G201 WeakPolarHBondContact OE1-CA 3.22Å; C197-G201 PolarHBondContact O-N 3.19Å; G201-S203 PolarHBondContact O-N 3.47Å; G201-S203 PolarHBondContact O-OG 3.03Å
202	K	49.5	Very low	59.8	Low	122 Å²	122	80 Å²	80	53%	0.53	41%	0.41	S	S	.	.			trans	-76.3	113.5	-176.6	-73.2	174.6	-175.4	161.6	0	110.3	E196 C197 C200 F204	E196-K202 CarbonylContact C-O 3.44Å; C197-K202 HydrophobicContact CB-CB 4.5Å; C197-K202 VanDerWaalsContact CB-O 3.3Å; C197-K202 WeakPolarHBondContact CB-O 3.25Å; C197-K202 PolarHBondContact N-O 3.2Å; C200-K202 PolarHBondContact O-N 3.39Å; K202-F204 HydrophobicContact CB-CE2 3.88Å; K202-F204 HydrophobicContact CB-CZ 4.19Å; K202-F204 WeakPolarHBondContact O-CD2 3.37Å; K202-F204 WeakPolarHBondContact O-CE2 3.47Å
203	S	58.6	Low	60	Low	40 Å²	40	75.5 Å²	75.5	28%	0.28	39%	0.389	S	S	.	.			trans	-90.5	143.7	-177.9	-13.9	0	0	0	0	112.8	K193 G201	K193-S203 WeakPolarHBondContact CD-O 3.39Å; K193-S203 WeakPolarHBondContact O-CB 3.48Å; G201-S203 PolarHBondContact O-N 3.47Å; G201-S203 PolarHBondContact O-OG 3.03Å
204	F	67.9	Low	59.6	Low	45 Å²	45	72 Å²	72	20%	0.197	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-132	166.2	-175.8	-62.4	-89.5	0	0	0	112.1	K193 H195 C197 K202 E209 V210 H213	K193-F204 CarbonylContact C-O 3.48Å; K193-F204 VanDerWaalsContact CA-O 3.3Å; K193-F204 WeakPolarHBondContact CA-O 3.19Å; H195-F204 PolarHBondContact N-O 2.89Å; H195-F204 PolarHBondContact O-N 3.2Å; C197-F204 HydrophobicContact CB-CE2 4.28Å; K202-F204 HydrophobicContact CB-CE2 3.88Å; K202-F204 HydrophobicContact CB-CZ 4.19Å; K202-F204 WeakPolarHBondContact O-CD2 3.37Å; K202-F204 WeakPolarHBondContact O-CE2 3.47Å; F204-E209 HydrophobicContact CB-CB 3.91Å; F204-E209 HydrophobicContact CD1-CB 3.82Å; F204-E209 HydrophobicContact CG-CB 4.12Å; F204-V210 HydrophobicContact CB-CG2 3.83Å; F204-V210 HydrophobicContact CD2-CG2 3.85Å; F204-V210 HydrophobicContact CG-CG2 4.13Å; F204-H213 HydrophobicContact CE1-CB 4.13Å; F204-H213 HydrophobicContact CE2-CB 3.86Å; F204-H213 AromaticContact CE2-CD2 3.38Å; F204-H213 WeakPolarHBondContact CE2-CD2 3.42Å; F204-H213 AromaticContact CE2-CG 3.55Å; F204-H213 HydrophobicContact CZ-CB 3.56Å; F204-H213 AromaticContact CZ-CD2 3.54Å; F204-H213 AromaticContact CZ-CG 3.25Å; F204-H213 AromaticContact CZ-ND1 3.6Å
205	R	60.5	Low	59.3	Low	94 Å²	94	70 Å²	70	36%	0.355	36%	0.36	S	S	.	.	S	Bend	trans	-93.2	-15	-175.2	-60.8	163.4	-61.6	-156.8	0.4	113.1	L187 K193 E209	L187-R205 HydrophobicContact CB-CB 4.41Å; L187-R205 HydrophobicContact CB-CG 4.07Å; L187-R205 HydrophobicContact CD1-CB 3.94Å; L187-R205 HydrophobicContact CD1-CG 4.43Å; K193-R205 HydrophobicContact CG-CG 4.34Å; R205-E209 WeakPolarHBondContact CA-OE2 3.41Å; R205-E209 IonicContact CZ-OE1 3.23Å; R205-E209 PolarHBondContact N-OE2 3.18Å; R205-E209 IonicContact NE-OE1 2.6Å; R205-E209 PolarHBondContact NE-OE1 2.79Å; R205-E209 IonicContact NH2-OE1 2.68Å; R205-E209 PolarHBondContact NH2-OE1 3.28Å
206	S	66.6	Low	58.7	Low	33 Å²	33	71 Å²	71	23%	0.231	37%	0.366	C	S	.	.	S	Bend	trans	-141.2	146.4	178	67.2	0	0	0	0	112	H195 G208 E209 V210	H195-S206 VanDerWaalsContact CD2-C 3.43Å; S206-G208 PolarHBondContact O-N 2.83Å; S206-G208 VanDerWaalsContact O-N 3.13Å; S206-E209 PolarHBondContact N-OE2 2.85Å; S206-E209 PolarHBondContact O-N 2.89Å; S206-E209 VanDerWaalsContact O-N 3.12Å; S206-E209 VanDerWaalsContact OG-CG 3.26Å; S206-E209 WeakPolarHBondContact OG-CG 3.4Å; S206-E209 PolarHBondContact OG-N 3.14Å; S206-E209 PolarHBondContact OG-OE2 3.46Å; S206-V210 PolarHBondContact O-N 2.88Å
207	K	62.8	Low	58.7	Low	144 Å²	144	69.1 Å²	69.1	63%	0.626	36%	0.357	S	S	*	.	H	α-helix	trans	-63.3	-17.1	174.6	-59.1	-165.7	177.9	-165.5	0	113	H195 K211	H195-K207 HydrophobicContact CB-CG 4.42Å; H195-K207 PolarHBondContact CD2-N 3.34Å; H195-K207 VanDerWaalsContact CD2-N 3.31Å; H195-K207 WeakPolarHBondContact CE1-CE 3.33Å; H195-K207 WeakPolarHBondContact ND1-CE 3.25Å; K207-K211 WeakPolarHBondContact O-CG 3.47Å; K207-K211 PolarHBondContact O-N 3.02Å
208	G	62.1	Low	58.3	Low	41 Å²	41	72.6 Å²	72.6	42%	0.423	38%	0.378	S	S	.	.	H	α-helix	trans	-72.5	-45	171.4	0	0	0	0	0	112.7	S206 V210 K211 I212	S206-G208 PolarHBondContact O-N 2.83Å; S206-G208 VanDerWaalsContact O-N 3.13Å; G208-V210 VanDerWaalsContact C-N 3.33Å; G208-V210 PolarHBondContact O-N 3.11Å; G208-K211 PolarHBondContact O-N 3.16Å; G208-I212 WeakPolarHBondContact O-CG1 3.42Å; G208-I212 PolarHBondContact O-N 3.35Å; G208-I212 VanDerWaalsContact O-N 3.09Å
209	E	57.3	Low	58	Low	56 Å²	56	75.8 Å²	75.8	26%	0.262	38%	0.379	S	S	.	.	H	α-helix	trans	-58.5	-43.7	172.9	-74	163.6	135.1	0	0	111.1	F204 R205 S206 K211 I212 H213	F204-E209 HydrophobicContact CB-CB 3.91Å; F204-E209 HydrophobicContact CD1-CB 3.82Å; F204-E209 HydrophobicContact CG-CB 4.12Å; R205-E209 WeakPolarHBondContact CA-OE2 3.41Å; R205-E209 IonicContact CZ-OE1 3.23Å; R205-E209 PolarHBondContact N-OE2 3.18Å; R205-E209 IonicContact NE-OE1 2.6Å; R205-E209 PolarHBondContact NE-OE1 2.79Å; R205-E209 IonicContact NH2-OE1 2.68Å; R205-E209 PolarHBondContact NH2-OE1 3.28Å; S206-E209 PolarHBondContact N-OE2 2.85Å; S206-E209 PolarHBondContact O-N 2.89Å; S206-E209 VanDerWaalsContact O-N 3.12Å; S206-E209 VanDerWaalsContact OG-CG 3.26Å; S206-E209 WeakPolarHBondContact OG-CG 3.4Å; S206-E209 PolarHBondContact OG-N 3.14Å; S206-E209 PolarHBondContact OG-OE2 3.46Å; E209-K211 PolarHBondContact O-N 2.86Å; E209-I212 PolarHBondContact O-N 3.16Å; E209-H213 WeakPolarHBondContact O-CB 3.42Å; E209-H213 PolarHBondContact O-N 2.89Å
210	V	64.5	Low	57.9	Low	20 Å²	20	77.5 Å²	77.5	12%	0.121	39%	0.385	C	S	.	.	H	α-helix	trans	-58.6	-48.3	175.2	-175.7	0	0	0	0	111.3	H195 E196 F204 S206 G208 I212 H213 M214	H195-V210 HydrophobicContact CB-CG2 3.65Å; H195-V210 WeakPolarHBondContact O-CG2 3.43Å; E196-V210 WeakPolarHBondContact O-CG1 3.44Å; F204-V210 HydrophobicContact CB-CG2 3.83Å; F204-V210 HydrophobicContact CD2-CG2 3.85Å; F204-V210 HydrophobicContact CG-CG2 4.13Å; S206-V210 PolarHBondContact O-N 2.88Å; G208-V210 VanDerWaalsContact C-N 3.33Å; G208-V210 PolarHBondContact O-N 3.11Å; V210-I212 VanDerWaalsContact C-N 3.29Å; V210-I212 PolarHBondContact O-N 3.32Å; V210-H213 CarbonylContact O-C 3.55Å; V210-H213 WeakPolarHBondContact O-CA 3.27Å; V210-H213 WeakPolarHBondContact O-CB 3.25Å; V210-H213 PolarHBondContact O-N 3.22Å; V210-M214 HydrophobicContact CG1-CG 4.32Å; V210-M214 WeakPolarHBondContact O-CG 3.46Å; V210-M214 PolarHBondContact O-N 3.09Å
211	K	62.8	Low	58.1	Low	164 Å²	164	80.3 Å²	80.3	71%	0.713	39%	0.392	S	S	*	.	H	α-helix	trans	-59.6	-37.7	179.3	-78.3	-174.6	174.1	-165.6	0	113.1	K207 G208 E209	K207-K211 WeakPolarHBondContact O-CG 3.47Å; K207-K211 PolarHBondContact O-N 3.02Å; G208-K211 PolarHBondContact O-N 3.16Å; E209-K211 PolarHBondContact O-N 2.86Å
212	I	57.4	Low	58.6	Low	88 Å²	88	82.1 Å²	82.1	45%	0.451	40%	0.396	S	S	.	.	H	α-helix	trans	-71.9	-33.5	174.8	-64.2	167.6	0	0	0	110.8	G208 E209 V210 L215 R233	G208-I212 WeakPolarHBondContact O-CG1 3.42Å; G208-I212 PolarHBondContact O-N 3.35Å; G208-I212 VanDerWaalsContact O-N 3.09Å; E209-I212 PolarHBondContact O-N 3.16Å; V210-I212 VanDerWaalsContact C-N 3.29Å; V210-I212 PolarHBondContact O-N 3.32Å; I212-L215 VanDerWaalsContact O-CB 3.32Å; I212-L215 WeakPolarHBondContact O-CB 3.47Å; I212-L215 PolarHBondContact O-N 3.05Å; I212-R233 HydrophobicContact CG2-CB 4.43Å
213	H	62.4	Low	59.2	Low	18 Å²	18	78.9 Å²	78.9	8%	0.083	38%	0.383	C	S	.	.	H	α-helix	trans	-68.9	-36	175.1	178.4	62.9	0	0	0	113.2	C197 C200 F204 E209 V210 L215 I216 H217	C197-H213 PolarHBondContact SG-CD2 3.47Å; C200-H213 PolarHBondContact SG-NE2 3.2Å; C200-H213 VanDerWaalsContact SG-NE2 3.36Å; F204-H213 HydrophobicContact CE1-CB 4.13Å; F204-H213 HydrophobicContact CE2-CB 3.86Å; F204-H213 AromaticContact CE2-CD2 3.38Å; F204-H213 WeakPolarHBondContact CE2-CD2 3.42Å; F204-H213 AromaticContact CE2-CG 3.55Å; F204-H213 HydrophobicContact CZ-CB 3.56Å; F204-H213 AromaticContact CZ-CD2 3.54Å; F204-H213 AromaticContact CZ-CG 3.25Å; F204-H213 AromaticContact CZ-ND1 3.6Å; E209-H213 WeakPolarHBondContact O-CB 3.42Å; E209-H213 PolarHBondContact O-N 2.89Å; V210-H213 CarbonylContact O-C 3.55Å; V210-H213 WeakPolarHBondContact O-CA 3.27Å; V210-H213 WeakPolarHBondContact O-CB 3.25Å; V210-H213 PolarHBondContact O-N 3.22Å; H213-L215 PolarHBondContact O-N 3.5Å; H213-L215 VanDerWaalsContact O-N 3.12Å; H213-I216 VanDerWaalsContact O-CB 3.25Å; H213-I216 WeakPolarHBondContact O-CB 3.36Å; H213-I216 WeakPolarHBondContact O-CG1 3.36Å; H213-I216 PolarHBondContact O-N 3.42Å; H213-H217 AromaticContact CD2-NE2 3.14Å; H213-H217 PolarHBondContact CD2-NE2 3.29Å; H213-H217 AromaticContact CE1-NE2 3.38Å; H213-H217 PolarHBondContact CE1-NE2 3.09Å; H213-H217 AromaticContact NE2-NE2 2.46Å; H213-H217 PolarHBondContact NE2-NE2 3.23Å
214	M	57.8	Low	58.6	Low	47 Å²	47	81.8 Å²	81.8	23%	0.232	39%	0.392	C	S	.	.	H	α-helix	trans	-62.3	-17.7	175.4	-65.8	-61.4	-75.9	0	0	113.6	C197 Q199 V210 I216 H217 T218	C197-M214 PolarHBondContact SG-SD 3.23Å; Q199-M214 HydrophobicContact CG-CE 4.2Å; V210-M214 HydrophobicContact CG1-CG 4.32Å; V210-M214 WeakPolarHBondContact O-CG 3.46Å; V210-M214 PolarHBondContact O-N 3.09Å; M214-I216 PolarHBondContact O-N 2.87Å; M214-H217 PolarHBondContact O-N 3.35Å; M214-T218 WeakPolarHBondContact O-CG2 3.42Å; M214-T218 PolarHBondContact O-N 3.02Å; M214-T218 VanDerWaalsContact O-N 3.13Å; M214-T218 PolarHBondContact O-OG1 2.73Å
215	L	61.5	Low	58.1	Low	35 Å²	35	79.6 Å²	79.6	18%	0.183	38%	0.382	C	S	.	.	H	α-helix	trans	-68.2	-15.8	170	-56.3	179	0	0	0	113	I212 H213 K220 P222 R233	I212-L215 VanDerWaalsContact O-CB 3.32Å; I212-L215 WeakPolarHBondContact O-CB 3.47Å; I212-L215 PolarHBondContact O-N 3.05Å; H213-L215 PolarHBondContact O-N 3.5Å; H213-L215 VanDerWaalsContact O-N 3.12Å; L215-K220 WeakPolarHBondContact CB-O 3.46Å; L215-P222 HydrophobicContact CD1-CG 4.38Å; L215-P222 HydrophobicContact CD2-CG 4.04Å; L215-R233 HydrophobicContact CD1-CB 4.16Å
216	I	53	Low	57.7	Low	74 Å²	74	82.2 Å²	82.2	38%	0.379	40%	0.403	S	S	.	.	H	α-helix	trans	-75.8	-50.9	173.9	-55.3	-172.3	0	0	0	109.9	H213 M214 R219	H213-I216 VanDerWaalsContact O-CB 3.25Å; H213-I216 WeakPolarHBondContact O-CB 3.36Å; H213-I216 WeakPolarHBondContact O-CG1 3.36Å; H213-I216 PolarHBondContact O-N 3.42Å; M214-I216 PolarHBondContact O-N 2.87Å; I216-R219 PolarHBondContact O-N 2.97Å
217	H	51.8	Low	56.8	Low	70 Å²	70	86.3 Å²	86.3	32%	0.324	42%	0.419	S	S	.	.	H	α-helix	trans	-67.4	-45.3	-178.4	-57.8	-53.4	0	0	0	112.3	C197 C200 H213 M214 R219	C197-H217 PolarHBondContact SG-NE2 3.38Å; C200-H217 WeakPolarHBondContact CB-CE1 3.47Å; C200-H217 PolarHBondContact SG-CE1 3.26Å; C200-H217 PolarHBondContact SG-NE2 3.27Å; H213-H217 AromaticContact CD2-NE2 3.14Å; H213-H217 PolarHBondContact CD2-NE2 3.29Å; H213-H217 AromaticContact CE1-NE2 3.38Å; H213-H217 PolarHBondContact CE1-NE2 3.09Å; H213-H217 AromaticContact NE2-NE2 2.46Å; H213-H217 PolarHBondContact NE2-NE2 3.23Å; M214-H217 PolarHBondContact O-N 3.35Å; H217-R219 PolarHBondContact O-N 2.95Å; H217-R219 VanDerWaalsContact O-N 3.17Å
218	T	54.4	Low	56.1	Low	73 Å²	73	82.1 Å²	82.1	45%	0.448	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-4.8	178.7	56.6	0	0	0	0	114	M214 K220	M214-T218 WeakPolarHBondContact O-CG2 3.42Å; M214-T218 PolarHBondContact O-N 3.02Å; M214-T218 VanDerWaalsContact O-N 3.13Å; M214-T218 PolarHBondContact O-OG1 2.73Å; T218-K220 PolarHBondContact O-N 3.21Å
219	R	53	Low	55.3	Low	221 Å²	221	82.1 Å²	82.1	83%	0.834	41%	0.407	S	S	*	.			trans	53.8	-6.4	-170.8	-60.4	-174.1	-179.9	-172.2	1.2	116.2	I216 H217 K221	I216-R219 PolarHBondContact O-N 2.97Å; H217-R219 PolarHBondContact O-N 2.95Å; H217-R219 VanDerWaalsContact O-N 3.17Å; R219-K221 PolarHBondContact O-N 3.36Å
220	K	50.6	Low	54.8	Low	156 Å²	156	85.4 Å²	85.4	68%	0.678	42%	0.42	S	S	*	.			trans	-71.9	122.4	-177.9	-72.4	-178.6	-179.7	-176.8	0	110.8	L215 T218	L215-K220 WeakPolarHBondContact CB-O 3.46Å; T218-K220 PolarHBondContact O-N 3.21Å
221	K	57.9	Low	54.2	Low	106 Å²	106	85.7 Å²	85.7	46%	0.461	42%	0.423	S	S	.	.			trans	-114.9	91.1	178.5	-77.2	162.3	139.5	-148.9	0	108.3	R219 H223 S231 F232	R219-K221 PolarHBondContact O-N 3.36Å; K221-H223 PolarHBondContact O-N 3.46Å; K221-S231 VanDerWaalsContact CD-O 3.26Å; K221-S231 WeakPolarHBondContact CD-O 3.33Å; K221-S231 WeakPolarHBondContact CE-O 3.25Å; K221-S231 PolarHBondContact NZ-O 3.32Å; K221-S231 WeakPolarHBondContact O-CB 3.46Å; K221-F232 CarbonylContact C-O 3.32Å; K221-F232 VanDerWaalsContact C-O 3.24Å; K221-F232 WeakPolarHBondContact CA-O 3.44Å; K221-F232 WeakPolarHBondContact CB-O 3.4Å
222	P	59.3	Low	54.3	Low	77 Å²	77	80 Å²	80	50%	0.5	40%	0.399	S	S	.	.			trans	-72.8	2.8	-159.2	-20.5	34.4	0	0	0	116.6	L215	L215-P222 HydrophobicContact CD1-CG 4.38Å; L215-P222 HydrophobicContact CD2-CG 4.04Å
223	H	61.1	Low	54.3	Low	55 Å²	55	80.9 Å²	80.9	26%	0.255	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-133.8	99.8	-172.6	-57.3	-43.1	0	0	0	109.6	K221 S231 F232 S234 K235 V238	K221-H223 PolarHBondContact O-N 3.46Å; H223-S231 CarbonylContact O-C 3.56Å; H223-S231 WeakPolarHBondContact O-CA 3.4Å; H223-F232 PolarHBondContact O-N 3.23Å; H223-S234 VanDerWaalsContact CD2-C 3.47Å; H223-K235 HydrophobicContact CB-CG 4.49Å; H223-K235 PolarHBondContact CD2-N 3.11Å; H223-K235 VanDerWaalsContact CD2-N 3.32Å; H223-V238 HydrophobicContact CB-CG2 3.62Å; H223-V238 WeakPolarHBondContact O-CG2 3.47Å
224	E	46.4	Very low	54.3	Low	100 Å²	100	81.8 Å²	81.8	47%	0.467	41%	0.405	S	S	.	.			trans	-74.8	167.2	177.2	-158.1	120.8	133.5	0	0	111.9	G229 K230 S231 V238	E224-G229 WeakPolarHBondContact OE1-CA 3.34Å; E224-K230 CarbonylContact C-O 3.57Å; E224-S231 WeakPolarHBondContact OE2-CB 3.39Å; E224-S231 PolarHBondContact OE2-OG 3.47Å; E224-V238 WeakPolarHBondContact O-CG1 3.2Å
225	C	56.9	Low	54.3	Low	0 Å²	0	86.9 Å²	86.9	0%	0	43%	0.426	C	S	.	.			trans	-110.8	110	165.3	174.3	0	0	0	0	108.2	Q227 C228 G229 K230 F232 H241 M242	C225-Q227 PolarHBondContact O-N 2.99Å; C225-C228 PolarHBondContact O-N 3.08Å; C225-G229 PolarHBondContact O-N 3.06Å; C225-K230 HydrophobicContact CB-CB 4.48Å; C225-K230 VanDerWaalsContact CB-O 3.32Å; C225-K230 WeakPolarHBondContact CB-O 3.48Å; C225-K230 PolarHBondContact N-O 3.12Å; C225-F232 HydrophobicContact CB-CE2 4.22Å; C225-H241 PolarHBondContact SG-CD2 2.95Å; C225-M242 PolarHBondContact SG-SD 3.4Å
226	D	52.8	Low	54.4	Low	149 Å²	149	87.6 Å²	87.6	80%	0.797	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-14.8	-170.5	-39.1	-52.2	0	0	0	113.5
227	Q	48	Very low	54.7	Low	119 Å²	119	87.3 Å²	87.3	56%	0.556	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-2.3	179.1	-62.8	-169.9	6.5	0	0	115	C225 M242 H245	C225-Q227 PolarHBondContact O-N 2.99Å; Q227-M242 HydrophobicContact CG-CE 4.16Å; Q227-H245 PolarHBondContact OE1-ND1 3.38Å
228	C	47.7	Very low	55.2	Low	56 Å²	56	84.9 Å²	84.9	38%	0.378	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.2	11	172.6	67.7	0	0	0	0	117.1	C225 K230 H241 H245	C225-C228 PolarHBondContact O-N 3.08Å; C228-K230 PolarHBondContact O-N 3.23Å; C228-K230 VanDerWaalsContact SG-CG 3.56Å; C228-H241 PolarHBondContact SG-NE2 3.49Å; C228-H241 VanDerWaalsContact SG-NE2 3.39Å; C228-H245 PolarHBondContact SG-NE2 3.11Å
229	G	44	Very low	55.6	Low	41 Å²	41	89.8 Å²	89.8	42%	0.423	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	9.3	179.7	0	0	0	0	0	114.6	E224 C225 S231	E224-G229 WeakPolarHBondContact OE1-CA 3.34Å; C225-G229 PolarHBondContact O-N 3.06Å; G229-S231 PolarHBondContact O-N 2.89Å
230	K	46.5	Very low	55.9	Low	124 Å²	124	83.7 Å²	83.7	54%	0.539	42%	0.424	S	S	.	.			trans	-78	111.8	177.6	-74.5	-178.5	-178.3	175	0	109.5	E224 C225 C228 F232	E224-K230 CarbonylContact C-O 3.57Å; C225-K230 HydrophobicContact CB-CB 4.48Å; C225-K230 VanDerWaalsContact CB-O 3.32Å; C225-K230 WeakPolarHBondContact CB-O 3.48Å; C225-K230 PolarHBondContact N-O 3.12Å; C228-K230 PolarHBondContact O-N 3.23Å; C228-K230 VanDerWaalsContact SG-CG 3.56Å; K230-F232 HydrophobicContact CB-CE2 3.74Å; K230-F232 HydrophobicContact CB-CZ 4.12Å; K230-F232 WeakPolarHBondContact O-CD2 3.46Å; K230-F232 WeakPolarHBondContact O-CE2 3.23Å
231	S	53.3	Low	56.6	Low	27 Å²	27	77.1 Å²	77.1	19%	0.189	40%	0.396	C	S	.	.			trans	-93.1	143.1	178.9	-0.9	0	0	0	0	112.8	K221 H223 E224 G229	K221-S231 VanDerWaalsContact CD-O 3.26Å; K221-S231 WeakPolarHBondContact CD-O 3.33Å; K221-S231 WeakPolarHBondContact CE-O 3.25Å; K221-S231 PolarHBondContact NZ-O 3.32Å; K221-S231 WeakPolarHBondContact O-CB 3.46Å; H223-S231 CarbonylContact O-C 3.56Å; H223-S231 WeakPolarHBondContact O-CA 3.4Å; E224-S231 WeakPolarHBondContact OE2-CB 3.39Å; E224-S231 PolarHBondContact OE2-OG 3.47Å; G229-S231 PolarHBondContact O-N 2.89Å
232	F	65.5	Low	56.4	Low	44 Å²	44	74.2 Å²	74.2	19%	0.193	39%	0.385	C	S	.	.	B	Isolated β-bridge	trans	-126.4	170.7	-170	-67.6	-89.5	0	0	0	112.3	K221 H223 C225 K230 E237 V238 H241	K221-F232 CarbonylContact C-O 3.32Å; K221-F232 VanDerWaalsContact C-O 3.24Å; K221-F232 WeakPolarHBondContact CA-O 3.44Å; K221-F232 WeakPolarHBondContact CB-O 3.4Å; H223-F232 PolarHBondContact O-N 3.23Å; C225-F232 HydrophobicContact CB-CE2 4.22Å; K230-F232 HydrophobicContact CB-CE2 3.74Å; K230-F232 HydrophobicContact CB-CZ 4.12Å; K230-F232 WeakPolarHBondContact O-CD2 3.46Å; K230-F232 WeakPolarHBondContact O-CE2 3.23Å; F232-E237 HydrophobicContact CB-CB 3.84Å; F232-E237 HydrophobicContact CD1-CB 3.76Å; F232-E237 HydrophobicContact CG-CB 4.05Å; F232-V238 HydrophobicContact CB-CG2 3.87Å; F232-V238 HydrophobicContact CD2-CG2 3.86Å; F232-V238 HydrophobicContact CG-CG2 4.16Å; F232-H241 HydrophobicContact CE1-CB 4.11Å; F232-H241 HydrophobicContact CE2-CB 3.93Å; F232-H241 AromaticContact CE2-CD2 3.24Å; F232-H241 WeakPolarHBondContact CE2-CD2 3.26Å; F232-H241 AromaticContact CE2-CG 3.63Å; F232-H241 AromaticContact CE2-NE2 3.95Å; F232-H241 HydrophobicContact CZ-CB 3.58Å; F232-H241 AromaticContact CZ-CD2 3.35Å; F232-H241 WeakPolarHBondContact CZ-CD2 3.34Å; F232-H241 AromaticContact CZ-CG 3.28Å; F232-H241 AromaticContact CZ-ND1 3.84Å; F232-H241 AromaticContact CZ-NE2 3.9Å
233	R	55.6	Low	56.3	Low	106 Å²	106	71.3 Å²	71.3	40%	0.4	37%	0.366	S	S	.	.	S	Bend	trans	-91	-17.9	-177.1	-60.7	179.7	-175	146.5	2.3	113.4	I212 L215 E237	I212-R233 HydrophobicContact CG2-CB 4.43Å; L215-R233 HydrophobicContact CD1-CB 4.16Å; R233-E237 WeakPolarHBondContact CB-OE2 3.23Å; R233-E237 PolarHBondContact N-OE2 2.87Å
234	S	62.7	Low	55.9	Low	37 Å²	37	74.9 Å²	74.9	26%	0.259	39%	0.386	S	S	.	.	S	Bend	trans	-143.7	151.6	177	70	0	0	0	0	112.4	H223 G236 E237 V238	H223-S234 VanDerWaalsContact CD2-C 3.47Å; S234-G236 PolarHBondContact O-N 3.13Å; S234-E237 WeakPolarHBondContact CB-OE1 3.29Å; S234-E237 PolarHBondContact N-OE1 3.12Å; S234-E237 WeakPolarHBondContact O-CB 3.13Å; S234-E237 PolarHBondContact O-N 3Å; S234-E237 VanDerWaalsContact O-N 3.12Å; S234-E237 WeakPolarHBondContact OG-CG 3.49Å; S234-E237 PolarHBondContact OG-N 3.27Å; S234-E237 PolarHBondContact OG-OE1 3.25Å; S234-V238 PolarHBondContact O-N 2.96Å
235	K	59	Low	56	Low	155 Å²	155	73 Å²	73	67%	0.674	38%	0.377	S	S	*	.	H	α-helix	trans	-60.8	-24.8	173.3	-64.8	-167.6	176.4	-169	0	112.7	H223 V238 K239	H223-K235 HydrophobicContact CB-CG 4.49Å; H223-K235 PolarHBondContact CD2-N 3.11Å; H223-K235 VanDerWaalsContact CD2-N 3.32Å; K235-V238 PolarHBondContact O-N 3.43Å; K235-K239 PolarHBondContact O-N 2.96Å
236	G	62.3	Low	55.9	Low	50 Å²	50	76.8 Å²	76.8	52%	0.515	40%	0.4	S	S	.	.	H	α-helix	trans	-68.2	-39.7	174	0	0	0	0	0	112.9	S234 K239 Q240	S234-G236 PolarHBondContact O-N 3.13Å; G236-K239 PolarHBondContact O-N 3.41Å; G236-Q240 WeakPolarHBondContact O-CB 3.32Å; G236-Q240 PolarHBondContact O-N 3.34Å
237	E	58.9	Low	55.9	Low	67 Å²	67	72.3 Å²	72.3	31%	0.313	39%	0.389	S	S	.	.	H	α-helix	trans	-62.8	-43	171.8	-73.2	150.6	-122.6	0	0	111.6	F232 R233 S234 Q240 H241	F232-E237 HydrophobicContact CB-CB 3.84Å; F232-E237 HydrophobicContact CD1-CB 3.76Å; F232-E237 HydrophobicContact CG-CB 4.05Å; R233-E237 WeakPolarHBondContact CB-OE2 3.23Å; R233-E237 PolarHBondContact N-OE2 2.87Å; S234-E237 WeakPolarHBondContact CB-OE1 3.29Å; S234-E237 PolarHBondContact N-OE1 3.12Å; S234-E237 WeakPolarHBondContact O-CB 3.13Å; S234-E237 PolarHBondContact O-N 3Å; S234-E237 VanDerWaalsContact O-N 3.12Å; S234-E237 WeakPolarHBondContact OG-CG 3.49Å; S234-E237 PolarHBondContact OG-N 3.27Å; S234-E237 PolarHBondContact OG-OE1 3.25Å; E237-Q240 PolarHBondContact O-N 3.41Å; E237-H241 VanDerWaalsContact O-CB 3.29Å; E237-H241 WeakPolarHBondContact O-CB 3.39Å; E237-H241 PolarHBondContact O-N 2.84Å
238	V	62.8	Low	55.8	Low	19 Å²	19	72.4 Å²	72.4	12%	0.115	39%	0.393	C	S	.	.	H	α-helix	trans	-60.2	-52.4	174.8	-176	0	0	0	0	110.5	H223 E224 F232 S234 K235 Q240 H241 M242	H223-V238 HydrophobicContact CB-CG2 3.62Å; H223-V238 WeakPolarHBondContact O-CG2 3.47Å; E224-V238 WeakPolarHBondContact O-CG1 3.2Å; F232-V238 HydrophobicContact CB-CG2 3.87Å; F232-V238 HydrophobicContact CD2-CG2 3.86Å; F232-V238 HydrophobicContact CG-CG2 4.16Å; S234-V238 PolarHBondContact O-N 2.96Å; K235-V238 PolarHBondContact O-N 3.43Å; V238-Q240 PolarHBondContact O-N 3.32Å; V238-H241 CarbonylContact O-C 3.29Å; V238-H241 WeakPolarHBondContact O-CA 3.31Å; V238-H241 WeakPolarHBondContact O-CB 3.34Å; V238-H241 PolarHBondContact O-N 3.11Å; V238-M242 WeakPolarHBondContact O-CG 3.44Å; V238-M242 PolarHBondContact O-N 2.71Å
239	K	63.3	Low	56.3	Low	177 Å²	177	74.8 Å²	74.8	77%	0.77	40%	0.397	S	S	*	.	H	α-helix	trans	-59.4	-32.3	-179.8	-173.3	167.5	-177.4	170.6	0	112.6	K235 G236	K235-K239 PolarHBondContact O-N 2.96Å; G236-K239 PolarHBondContact O-N 3.41Å
240	Q	60.1	Low	57.1	Low	92 Å²	92	77 Å²	77	43%	0.43	40%	0.404	S	S	.	.	H	α-helix	trans	-73	-42.1	172.1	-173.8	178.2	109.6	0	0	112.2	G236 E237 V238 M242 S243 Q262	G236-Q240 WeakPolarHBondContact O-CB 3.32Å; G236-Q240 PolarHBondContact O-N 3.34Å; E237-Q240 PolarHBondContact O-N 3.41Å; V238-Q240 PolarHBondContact O-N 3.32Å; Q240-M242 VanDerWaalsContact C-N 3.29Å; Q240-M242 PolarHBondContact O-N 3.1Å; Q240-S243 WeakPolarHBondContact O-CB 3.39Å; Q240-S243 PolarHBondContact O-N 3.44Å; Q240-S243 PolarHBondContact O-OG 2.89Å; Q240-Q262 HydrophobicContact CG-CG 4.36Å
241	H	64	Low	57.8	Low	18 Å²	18	75.3 Å²	75.3	8%	0.083	40%	0.395	C	S	.	.	H	α-helix	trans	-62.1	-33.5	177.3	176.3	50.1	0	0	0	112.7	C225 C228 F232 E237 V238 S243 I244 H245	C225-H241 PolarHBondContact SG-CD2 2.95Å; C228-H241 PolarHBondContact SG-NE2 3.49Å; C228-H241 VanDerWaalsContact SG-NE2 3.39Å; F232-H241 HydrophobicContact CE1-CB 4.11Å; F232-H241 HydrophobicContact CE2-CB 3.93Å; F232-H241 AromaticContact CE2-CD2 3.24Å; F232-H241 WeakPolarHBondContact CE2-CD2 3.26Å; F232-H241 AromaticContact CE2-CG 3.63Å; F232-H241 AromaticContact CE2-NE2 3.95Å; F232-H241 HydrophobicContact CZ-CB 3.58Å; F232-H241 AromaticContact CZ-CD2 3.35Å; F232-H241 WeakPolarHBondContact CZ-CD2 3.34Å; F232-H241 AromaticContact CZ-CG 3.28Å; F232-H241 AromaticContact CZ-ND1 3.84Å; F232-H241 AromaticContact CZ-NE2 3.9Å; E237-H241 VanDerWaalsContact O-CB 3.29Å; E237-H241 WeakPolarHBondContact O-CB 3.39Å; E237-H241 PolarHBondContact O-N 2.84Å; V238-H241 CarbonylContact O-C 3.29Å; V238-H241 WeakPolarHBondContact O-CA 3.31Å; V238-H241 WeakPolarHBondContact O-CB 3.34Å; V238-H241 PolarHBondContact O-N 3.11Å; H241-S243 PolarHBondContact O-N 2.86Å; H241-I244 VanDerWaalsContact O-CB 3.31Å; H241-I244 WeakPolarHBondContact O-CB 3.46Å; H241-I244 PolarHBondContact O-N 2.84Å; H241-H245 AromaticContact CE1-NE2 3.96Å; H241-H245 AromaticContact NE2-CD2 3.84Å; H241-H245 AromaticContact NE2-NE2 3.52Å
242	M	55.1	Low	57.5	Low	45 Å²	45	79.1 Å²	79.1	22%	0.222	41%	0.408	C	S	.	.	H	α-helix	trans	-57	-22.4	175.5	-65	-50.1	-70.7	0	0	113.8	C225 Q227 V238 Q240 I244 H245 T246	C225-M242 PolarHBondContact SG-SD 3.4Å; Q227-M242 HydrophobicContact CG-CE 4.16Å; V238-M242 WeakPolarHBondContact O-CG 3.44Å; V238-M242 PolarHBondContact O-N 2.71Å; Q240-M242 VanDerWaalsContact C-N 3.29Å; Q240-M242 PolarHBondContact O-N 3.1Å; M242-I244 PolarHBondContact O-N 3.3Å; M242-H245 HydrophobicContact CE-CB 4.32Å; M242-H245 WeakPolarHBondContact O-CB 3.29Å; M242-H245 PolarHBondContact O-N 2.93Å; M242-T246 PolarHBondContact O-N 3.15Å; M242-T246 PolarHBondContact O-OG1 2.8Å
243	S	56.7	Low	56.9	Low	16 Å²	16	77 Å²	77	11%	0.112	40%	0.399	C	S	.	.	H	α-helix	trans	-64.5	-17.2	172.2	68.3	0	0	0	0	114.2	Q240 H241 L248	Q240-S243 WeakPolarHBondContact O-CB 3.39Å; Q240-S243 PolarHBondContact O-N 3.44Å; Q240-S243 PolarHBondContact O-OG 2.89Å; H241-S243 PolarHBondContact O-N 2.86Å; S243-L248 WeakPolarHBondContact CB-O 3.35Å
244	I	52.7	Low	57.2	Low	130 Å²	130	80 Å²	80	67%	0.667	42%	0.417	S	S	*	.	H	α-helix	trans	-80	-26.1	172.4	-62.5	172.9	0	0	0	110.8	H241 M242	H241-I244 VanDerWaalsContact O-CB 3.31Å; H241-I244 WeakPolarHBondContact O-CB 3.46Å; H241-I244 PolarHBondContact O-N 2.84Å; M242-I244 PolarHBondContact O-N 3.3Å
245	H	48.2	Very low	56.7	Low	61 Å²	61	83.9 Å²	83.9	28%	0.282	43%	0.431	S	S	.	.	H	α-helix	trans	-88.3	-50.3	-178.5	-81.3	-74.2	0	0	0	112.7	Q227 C228 H241 M242 G247	Q227-H245 PolarHBondContact OE1-ND1 3.38Å; C228-H245 PolarHBondContact SG-NE2 3.11Å; H241-H245 AromaticContact CE1-NE2 3.96Å; H241-H245 AromaticContact NE2-CD2 3.84Å; H241-H245 AromaticContact NE2-NE2 3.52Å; M242-H245 HydrophobicContact CE-CB 4.32Å; M242-H245 WeakPolarHBondContact O-CB 3.29Å; M242-H245 PolarHBondContact O-N 2.93Å; H245-G247 PolarHBondContact O-N 3.15Å
246	T	53.8	Low	56.2	Low	80 Å²	80	78.7 Å²	78.7	49%	0.491	41%	0.414	S	S	.	.	S	Bend	trans	-75.6	-9.7	-179.6	59.2	0	0	0	0	113.3	M242 L248	M242-T246 PolarHBondContact O-N 3.15Å; M242-T246 PolarHBondContact O-OG1 2.8Å; T246-L248 PolarHBondContact O-N 3.48Å; T246-L248 WeakPolarHBondContact OG1-CB 3.34Å; T246-L248 PolarHBondContact OG1-N 3.24Å
247	G	53.5	Low	55.4	Low	55 Å²	55	77.7 Å²	77.7	57%	0.567	40%	0.404	S	S	*	.			trans	68.8	-14.8	-169.5	0	0	0	0	0	114.3	H245 K249	H245-G247 PolarHBondContact O-N 3.15Å; G247-K249 PolarHBondContact O-N 2.92Å
248	L	46	Very low	54.7	Low	121 Å²	121	80.3 Å²	80.3	63%	0.634	41%	0.414	S	S	*	.			trans	-70.5	88.2	-178.9	-60	178.1	0	0	0	110.7	S243 T246 P250	S243-L248 WeakPolarHBondContact CB-O 3.35Å; T246-L248 PolarHBondContact O-N 3.48Å; T246-L248 WeakPolarHBondContact OG1-CB 3.34Å; T246-L248 PolarHBondContact OG1-N 3.24Å; L248-P250 WeakPolarHBondContact O-CD 3.31Å
249	K	58.8	Low	54.1	Low	106 Å²	106	84.7 Å²	84.7	46%	0.461	43%	0.432	S	S	.	.			trans	-79.3	99	160.3	-69.7	-171.7	-167.8	170.7	0	108.2	G247 Y251 F259 F260	G247-K249 PolarHBondContact O-N 2.92Å; K249-Y251 PolarHBondContact O-N 3.32Å; K249-F259 HydrophobicContact CB-CB 3.68Å; K249-F259 HydrophobicContact CD-CB 3.88Å; K249-F259 WeakPolarHBondContact CD-O 3.26Å; K249-F259 HydrophobicContact CG-CB 4.47Å; K249-F259 PolarHBondContact NZ-O 3.02Å; K249-F260 CarbonylContact C-O 3.35Å
250	P	60.3	Low	54.1	Low	88 Å²	88	78.4 Å²	78.4	57%	0.571	41%	0.405	S	S	*	.			trans	-73.6	-8.4	-160.3	-18.4	34	0	0	0	114.9	L248	L248-P250 WeakPolarHBondContact O-CD 3.31Å
251	Y	60.5	Low	53.7	Low	87 Å²	87	75.9 Å²	75.9	34%	0.341	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	88.6	-170.9	-56	-76.6	0	0	0	109.3	K249 F260 Q262 K263	K249-Y251 PolarHBondContact O-N 3.32Å; Y251-F260 PolarHBondContact N-O 3.23Å; Y251-F260 PolarHBondContact O-N 3.45Å; Y251-Q262 VanDerWaalsContact CD2-C 3.4Å; Y251-K263 HydrophobicContact CD1-CB 3.84Å; Y251-K263 HydrophobicContact CD1-CG 4.07Å; Y251-K263 HydrophobicContact CE1-CB 3.57Å; Y251-K263 HydrophobicContact CE1-CD 4.17Å; Y251-K263 HydrophobicContact CE1-CG 3.98Å; Y251-K263 HydrophobicContact CE2-CB 4.39Å; Y251-K263 HydrophobicContact CG-CB 4.35Å
252	K	46.7	Very low	53.6	Low	107 Å²	107	77.4 Å²	77.4	47%	0.465	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	137.4	172.9	-172.9	-172.3	172.2	-164.6	0	109.8	F259 L266	K252-F259 HydrophobicContact CB-CD1 3.73Å; K252-F259 HydrophobicContact CB-CE1 3.68Å; K252-F259 HydrophobicContact CB-CZ 4.42Å; K252-F259 HydrophobicContact CD-CE1 4.01Å; K252-F259 HydrophobicContact CD-CZ 4Å; K252-F259 HydrophobicContact CG-CD1 4.03Å; K252-F259 HydrophobicContact CG-CE1 3.72Å; K252-F259 HydrophobicContact CG-CE2 4.43Å; K252-F259 HydrophobicContact CG-CZ 3.94Å; K252-L266 VanDerWaalsContact O-CD2 3.31Å; K252-L266 WeakPolarHBondContact O-CD2 3.45Å
253	C	54.8	Low	53.8	Low	0 Å²	0	81.2 Å²	81.2	0%	0	42%	0.422	C	S	.	.			trans	-85.2	124.5	158.9	173.6	0	0	0	0	108.7	G257 K258 F260 L266 M270 H273	C253-G257 CarbonylContact O-C 3.28Å; C253-G257 WeakPolarHBondContact O-CA 3.49Å; C253-G257 PolarHBondContact O-N 2.83Å; C253-K258 VanDerWaalsContact CB-O 3.32Å; C253-K258 WeakPolarHBondContact CB-O 3.42Å; C253-K258 PolarHBondContact N-O 3.39Å; C253-F260 HydrophobicContact CB-CE2 4.21Å; C253-L266 HydrophobicContact CB-CD1 3.62Å; C253-M270 HydrophobicContact CB-SD 4.29Å; C253-M270 VanDerWaalsContact SG-SD 3.68Å; C253-H273 VanDerWaalsContact SG-CD2 3.58Å; C253-H273 PolarHBondContact SG-NE2 3.16Å
254	E	61.2	Low	54.2	Low	168 Å²	168	84.1 Å²	84.1	79%	0.785	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-38.4	-174.3	-67.4	174.3	168.4	0	0	111.4	C256	E254-C256 PolarHBondContact O-N 2.92Å
255	E	51.9	Low	54.6	Low	120 Å²	120	81.1 Å²	81.1	56%	0.561	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-25.2	-179	-63.6	179.8	-102.6	0	0	115.4	M270 H273	E255-M270 HydrophobicContact CG-CE 4.44Å; E255-M270 WeakPolarHBondContact OE1-CE 3.39Å; E255-H273 WeakPolarHBondContact OE1-CB 3.43Å; E255-H273 IonicContact OE1-CD2 3.31Å; E255-H273 IonicContact OE1-CG 3.73Å; E255-H273 WeakPolarHBondContact OE2-CB 3.47Å; E255-H273 IonicContact OE2-CG 2.73Å
256	C	49	Very low	55.4	Low	45 Å²	45	79.5 Å²	79.5	30%	0.304	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.3	15.5	177.6	72.9	0	0	0	0	115.2	E254 K258 H269 H273	E254-C256 PolarHBondContact O-N 2.92Å; C256-K258 PolarHBondContact O-N 3.42Å; C256-K258 VanDerWaalsContact SG-CD 3.59Å; C256-H269 PolarHBondContact SG-NE2 2.91Å; C256-H273 WeakPolarHBondContact CB-CE1 3.35Å; C256-H273 PolarHBondContact SG-CE1 3.46Å; C256-H273 PolarHBondContact SG-NE2 3.26Å
257	G	44.4	Very low	55.8	Low	30 Å²	30	81.1 Å²	81.1	31%	0.309	42%	0.417	S	S	.	.			trans	64	1.1	177.8	0	0	0	0	0	116.3	C253 F259	C253-G257 CarbonylContact O-C 3.28Å; C253-G257 WeakPolarHBondContact O-CA 3.49Å; C253-G257 PolarHBondContact O-N 2.83Å; G257-F259 WeakPolarHBondContact O-CD2 3.5Å; G257-F259 WeakPolarHBondContact O-CE2 3.22Å; G257-F259 PolarHBondContact O-N 3.05Å
258	K	44.5	Very low	56.1	Low	122 Å²	122	81 Å²	81	53%	0.53	41%	0.405	S	S	.	.			trans	-71.3	127	-176.2	-71.9	174.5	-170.2	159.8	0	111	C253 C256 F260	C253-K258 VanDerWaalsContact CB-O 3.32Å; C253-K258 WeakPolarHBondContact CB-O 3.42Å; C253-K258 PolarHBondContact N-O 3.39Å; C256-K258 PolarHBondContact O-N 3.42Å; C256-K258 VanDerWaalsContact SG-CD 3.59Å; K258-F260 HydrophobicContact CB-CE2 3.77Å; K258-F260 HydrophobicContact CB-CZ 4.08Å; K258-F260 WeakPolarHBondContact O-CD2 3.27Å; K258-F260 WeakPolarHBondContact O-CE2 3.48Å
259	F	51.5	Low	57	Low	110 Å²	110	76.3 Å²	76.3	48%	0.482	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	141.3	-179.8	-63	-100.3	0	0	0	112.7	K249 K252 G257	K249-F259 HydrophobicContact CB-CB 3.68Å; K249-F259 HydrophobicContact CD-CB 3.88Å; K249-F259 WeakPolarHBondContact CD-O 3.26Å; K249-F259 HydrophobicContact CG-CB 4.47Å; K249-F259 PolarHBondContact NZ-O 3.02Å; K252-F259 HydrophobicContact CB-CD1 3.73Å; K252-F259 HydrophobicContact CB-CE1 3.68Å; K252-F259 HydrophobicContact CB-CZ 4.42Å; K252-F259 HydrophobicContact CD-CE1 4.01Å; K252-F259 HydrophobicContact CD-CZ 4Å; K252-F259 HydrophobicContact CG-CD1 4.03Å; K252-F259 HydrophobicContact CG-CE1 3.72Å; K252-F259 HydrophobicContact CG-CE2 4.43Å; K252-F259 HydrophobicContact CG-CZ 3.94Å; G257-F259 WeakPolarHBondContact O-CD2 3.5Å; G257-F259 WeakPolarHBondContact O-CE2 3.22Å; G257-F259 PolarHBondContact O-N 3.05Å
260	F	61.7	Low	57	Low	46 Å²	46	73.8 Å²	73.8	20%	0.202	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.3	-176.6	-62.2	-92.8	0	0	0	112.2	K249 Y251 C253 K258 Q262 N265 L266 H269	K249-F260 CarbonylContact C-O 3.35Å; Y251-F260 PolarHBondContact N-O 3.23Å; Y251-F260 PolarHBondContact O-N 3.45Å; C253-F260 HydrophobicContact CB-CE2 4.21Å; K258-F260 HydrophobicContact CB-CE2 3.77Å; K258-F260 HydrophobicContact CB-CZ 4.08Å; K258-F260 WeakPolarHBondContact O-CD2 3.27Å; K258-F260 WeakPolarHBondContact O-CE2 3.48Å; F260-Q262 VanDerWaalsContact C-N 3.33Å; F260-N265 HydrophobicContact CB-CB 4.47Å; F260-N265 HydrophobicContact CD1-CB 4.11Å; F260-L266 HydrophobicContact CB-CB 4.26Å; F260-L266 HydrophobicContact CD2-CB 4.19Å; F260-L266 HydrophobicContact CD2-CD1 3.9Å; F260-L266 HydrophobicContact CE2-CD1 4.2Å; F260-L266 HydrophobicContact CG-CB 4.31Å; F260-H269 HydrophobicContact CE1-CB 3.89Å; F260-H269 HydrophobicContact CE2-CB 4.04Å; F260-H269 AromaticContact CE2-CD2 3.17Å; F260-H269 WeakPolarHBondContact CE2-CD2 3.35Å; F260-H269 AromaticContact CE2-CG 3.73Å; F260-H269 AromaticContact CE2-NE2 3.93Å; F260-H269 HydrophobicContact CZ-CB 3.54Å; F260-H269 AromaticContact CZ-CD2 3.21Å; F260-H269 WeakPolarHBondContact CZ-CD2 3.46Å; F260-H269 AromaticContact CZ-CG 3.28Å; F260-H269 AromaticContact CZ-NE2 3.9Å
261	A	52.8	Low	57.2	Low	39 Å²	39	72.9 Å²	72.9	32%	0.322	36%	0.357	S	S	.	.	S	Bend	trans	-80.5	-8.4	-180	0	0	0	0	0	114.2
262	Q	61.5	Low	57	Low	49 Å²	49	73.8 Å²	73.8	23%	0.229	37%	0.372	C	S	.	.	S	Bend	trans	-146.9	144.4	-177	-49.7	177.6	15.3	0	0	111.2	Q240 Y251 F260 N264 N265 L266	Q240-Q262 HydrophobicContact CG-CG 4.36Å; Y251-Q262 VanDerWaalsContact CD2-C 3.4Å; F260-Q262 VanDerWaalsContact C-N 3.33Å; Q262-N264 WeakPolarHBondContact CB-OD1 3.44Å; Q262-N264 PolarHBondContact OE1-ND2 2.96Å; Q262-N264 PolarHBondContact OE1-OD1 3.39Å; Q262-N265 HydrophobicContact CB-CB 4.43Å; Q262-N265 PolarHBondContact O-N 2.88Å; Q262-L266 PolarHBondContact O-N 3.37Å
263	K	60.3	Low	57.1	Low	126 Å²	126	71.8 Å²	71.8	55%	0.548	36%	0.364	S	S	.	.	H	α-helix	trans	-64.8	-40.5	-176.4	-168.7	170	-179.6	170.4	0	113.6	Y251 N265 L266 Q267	Y251-K263 HydrophobicContact CD1-CB 3.84Å; Y251-K263 HydrophobicContact CD1-CG 4.07Å; Y251-K263 HydrophobicContact CE1-CB 3.57Å; Y251-K263 HydrophobicContact CE1-CD 4.17Å; Y251-K263 HydrophobicContact CE1-CG 3.98Å; Y251-K263 HydrophobicContact CE2-CB 4.39Å; Y251-K263 HydrophobicContact CG-CB 4.35Å; K263-N265 VanDerWaalsContact C-N 3.3Å; K263-N265 PolarHBondContact O-N 3.17Å; K263-L266 PolarHBondContact O-N 3.35Å; K263-Q267 HydrophobicContact CG-CG 4.46Å; K263-Q267 WeakPolarHBondContact O-CG 3.45Å; K263-Q267 PolarHBondContact O-N 2.67Å
264	N	63.3	Low	57.2	Low	77 Å²	77	75.8 Å²	75.8	41%	0.412	39%	0.388	S	S	.	.	H	α-helix	trans	-56	-41.4	172.2	57.5	-21.8	0	0	0	112.3	Q262 Q267 V268	Q262-N264 WeakPolarHBondContact CB-OD1 3.44Å; Q262-N264 PolarHBondContact OE1-ND2 2.96Å; Q262-N264 PolarHBondContact OE1-OD1 3.39Å; N264-Q267 PolarHBondContact O-N 3.02Å; N264-V268 WeakPolarHBondContact O-CB 3.45Å; N264-V268 VanDerWaalsContact O-CG2 3.29Å; N264-V268 WeakPolarHBondContact O-CG2 3.47Å; N264-V268 PolarHBondContact O-N 3.26Å
265	N	62.9	Low	57	Low	66 Å²	66	69.9 Å²	69.9	35%	0.353	37%	0.373	S	S	.	.	H	α-helix	trans	-70.9	-34.9	-179.5	-65.5	-13.8	0	0	0	111.6	F260 Q262 K263 H269	F260-N265 HydrophobicContact CB-CB 4.47Å; F260-N265 HydrophobicContact CD1-CB 4.11Å; Q262-N265 HydrophobicContact CB-CB 4.43Å; Q262-N265 PolarHBondContact O-N 2.88Å; K263-N265 VanDerWaalsContact C-N 3.3Å; K263-N265 PolarHBondContact O-N 3.17Å; N265-H269 WeakPolarHBondContact O-CB 3.4Å; N265-H269 PolarHBondContact O-N 2.94Å
266	L	64.3	Low	57	Low	27 Å²	27	68.8 Å²	68.8	14%	0.141	37%	0.368	C	S	.	.	H	α-helix	trans	-64.2	-50.8	167.6	174.2	61.5	0	0	0	111.1	K252 C253 F260 Q262 K263 V268 H269 M270	K252-L266 VanDerWaalsContact O-CD2 3.31Å; K252-L266 WeakPolarHBondContact O-CD2 3.45Å; C253-L266 HydrophobicContact CB-CD1 3.62Å; F260-L266 HydrophobicContact CB-CB 4.26Å; F260-L266 HydrophobicContact CD2-CB 4.19Å; F260-L266 HydrophobicContact CD2-CD1 3.9Å; F260-L266 HydrophobicContact CE2-CD1 4.2Å; F260-L266 HydrophobicContact CG-CB 4.31Å; Q262-L266 PolarHBondContact O-N 3.37Å; K263-L266 PolarHBondContact O-N 3.35Å; L266-V268 PolarHBondContact O-N 3.32Å; L266-H269 CarbonylContact O-C 3.11Å; L266-H269 WeakPolarHBondContact O-CA 3.4Å; L266-H269 WeakPolarHBondContact O-CB 3.43Å; L266-H269 PolarHBondContact O-N 3.46Å; L266-M270 HydrophobicContact CD1-CG 4.27Å; L266-M270 HydrophobicContact CD1-SD 3.7Å; L266-M270 HydrophobicContact CG-CG 4.44Å; L266-M270 HydrophobicContact CG-SD 4.42Å; L266-M270 WeakPolarHBondContact O-CG 3.25Å; L266-M270 PolarHBondContact O-N 2.98Å
267	Q	62.4	Low	57.4	Low	115 Å²	115	72.4 Å²	72.4	54%	0.537	38%	0.378	S	S	.	.	H	α-helix	trans	-59.1	-33.8	179.5	-73.1	176.1	-54.6	0	0	113.2	K263 N264	K263-Q267 HydrophobicContact CG-CG 4.46Å; K263-Q267 WeakPolarHBondContact O-CG 3.45Å; K263-Q267 PolarHBondContact O-N 2.67Å; N264-Q267 PolarHBondContact O-N 3.02Å
268	V	59.1	Low	58.3	Low	53 Å²	53	74.7 Å²	74.7	32%	0.321	39%	0.388	S	S	.	.	H	α-helix	trans	-71.4	-38.7	171.8	163.4	0	0	0	0	111.4	N264 L266 K271 Y290	N264-V268 WeakPolarHBondContact O-CB 3.45Å; N264-V268 VanDerWaalsContact O-CG2 3.29Å; N264-V268 WeakPolarHBondContact O-CG2 3.47Å; N264-V268 PolarHBondContact O-N 3.26Å; L266-V268 PolarHBondContact O-N 3.32Å; V268-K271 WeakPolarHBondContact O-CB 3.48Å; V268-K271 PolarHBondContact O-N 3.21Å; V268-Y290 HydrophobicContact CG1-CE1 3.7Å; V268-Y290 WeakPolarHBondContact CG1-OH 3.32Å; V268-Y290 HydrophobicContact CG2-CE1 4.48Å
269	H	65.9	Low	59.2	Low	21 Å²	21	73.1 Å²	73.1	10%	0.097	38%	0.379	C	S	.	.	H	α-helix	trans	-68.1	-33.2	175.3	171.9	50	0	0	0	113.4	C256 F260 N265 L266 K271 V272 H273	C256-H269 PolarHBondContact SG-NE2 2.91Å; F260-H269 HydrophobicContact CE1-CB 3.89Å; F260-H269 HydrophobicContact CE2-CB 4.04Å; F260-H269 AromaticContact CE2-CD2 3.17Å; F260-H269 WeakPolarHBondContact CE2-CD2 3.35Å; F260-H269 AromaticContact CE2-CG 3.73Å; F260-H269 AromaticContact CE2-NE2 3.93Å; F260-H269 HydrophobicContact CZ-CB 3.54Å; F260-H269 AromaticContact CZ-CD2 3.21Å; F260-H269 WeakPolarHBondContact CZ-CD2 3.46Å; F260-H269 AromaticContact CZ-CG 3.28Å; F260-H269 AromaticContact CZ-NE2 3.9Å; N265-H269 WeakPolarHBondContact O-CB 3.4Å; N265-H269 PolarHBondContact O-N 2.94Å; L266-H269 CarbonylContact O-C 3.11Å; L266-H269 WeakPolarHBondContact O-CA 3.4Å; L266-H269 WeakPolarHBondContact O-CB 3.43Å; L266-H269 PolarHBondContact O-N 3.46Å; H269-K271 PolarHBondContact O-N 3.2Å; H269-K271 VanDerWaalsContact O-N 3.12Å; H269-V272 WeakPolarHBondContact O-CB 3.5Å; H269-V272 WeakPolarHBondContact O-CG2 3.32Å; H269-V272 PolarHBondContact O-N 2.97Å; H269-H273 AromaticContact CD2-NE2 3.31Å; H269-H273 PolarHBondContact CD2-NE2 3.2Å; H269-H273 VanDerWaalsContact CD2-NE2 3.31Å; H269-H273 AromaticContact CE1-NE2 2.93Å; H269-H273 PolarHBondContact CE1-NE2 3.27Å; H269-H273 AromaticContact ND1-NE2 3.97Å; H269-H273 AromaticContact NE2-CD2 3.98Å; H269-H273 AromaticContact NE2-NE2 2.4Å; H269-H273 PolarHBondContact NE2-NE2 3.5Å
270	M	57.6	Low	59	Low	54 Å²	54	74.8 Å²	74.8	27%	0.266	38%	0.382	S	S	.	.	H	α-helix	trans	-58.9	-25.5	176	-60.7	-47.8	-67.7	0	0	112.6	C253 E255 L266 V272 H273 T274	C253-M270 HydrophobicContact CB-SD 4.29Å; C253-M270 VanDerWaalsContact SG-SD 3.68Å; E255-M270 HydrophobicContact CG-CE 4.44Å; E255-M270 WeakPolarHBondContact OE1-CE 3.39Å; L266-M270 HydrophobicContact CD1-CG 4.27Å; L266-M270 HydrophobicContact CD1-SD 3.7Å; L266-M270 HydrophobicContact CG-CG 4.44Å; L266-M270 HydrophobicContact CG-SD 4.42Å; L266-M270 WeakPolarHBondContact O-CG 3.25Å; L266-M270 PolarHBondContact O-N 2.98Å; M270-V272 PolarHBondContact O-N 2.9Å; M270-H273 PolarHBondContact O-N 3.06Å; M270-T274 PolarHBondContact O-N 3.21Å; M270-T274 PolarHBondContact O-OG1 3.06Å
271	K	64.6	Low	58.9	Low	69 Å²	69	72.6 Å²	72.6	30%	0.3	37%	0.373	S	S	.	.	H	α-helix	trans	-69.2	-9.7	172.7	-59.2	-176.7	168.8	-73.4	0	114.5	V268 H269 E276	V268-K271 WeakPolarHBondContact O-CB 3.48Å; V268-K271 PolarHBondContact O-N 3.21Å; H269-K271 PolarHBondContact O-N 3.2Å; H269-K271 VanDerWaalsContact O-N 3.12Å; K271-E276 IonicContact NZ-OE2 2.76Å; K271-E276 PolarHBondContact NZ-OE2 3.5Å
272	V	55.9	Low	59.3	Low	106 Å²	106	76.8 Å²	76.8	64%	0.642	39%	0.39	S	S	*	.	H	α-helix	trans	-79	-31.2	169.2	-175.6	0	0	0	0	110.4	H269 M270	H269-V272 WeakPolarHBondContact O-CB 3.5Å; H269-V272 WeakPolarHBondContact O-CG2 3.32Å; H269-V272 PolarHBondContact O-N 2.97Å; M270-V272 PolarHBondContact O-N 2.9Å
273	H	50.2	Low	58.9	Low	64 Å²	64	80.9 Å²	80.9	30%	0.296	41%	0.409	S	S	.	.	H	α-helix	trans	-84.3	-49.3	179.3	-63.7	-59.2	0	0	0	112.3	C253 E255 C256 H269 M270 G275	C253-H273 VanDerWaalsContact SG-CD2 3.58Å; C253-H273 PolarHBondContact SG-NE2 3.16Å; E255-H273 WeakPolarHBondContact OE1-CB 3.43Å; E255-H273 IonicContact OE1-CD2 3.31Å; E255-H273 IonicContact OE1-CG 3.73Å; E255-H273 WeakPolarHBondContact OE2-CB 3.47Å; E255-H273 IonicContact OE2-CG 2.73Å; C256-H273 WeakPolarHBondContact CB-CE1 3.35Å; C256-H273 PolarHBondContact SG-CE1 3.46Å; C256-H273 PolarHBondContact SG-NE2 3.26Å; H269-H273 AromaticContact CD2-NE2 3.31Å; H269-H273 PolarHBondContact CD2-NE2 3.2Å; H269-H273 VanDerWaalsContact CD2-NE2 3.31Å; H269-H273 AromaticContact CE1-NE2 2.93Å; H269-H273 PolarHBondContact CE1-NE2 3.27Å; H269-H273 AromaticContact ND1-NE2 3.97Å; H269-H273 AromaticContact NE2-CD2 3.98Å; H269-H273 AromaticContact NE2-NE2 2.4Å; H269-H273 PolarHBondContact NE2-NE2 3.5Å; M270-H273 PolarHBondContact O-N 3.06Å; H273-G275 PolarHBondContact O-N 3.46Å
274	T	57.4	Low	58.5	Low	84 Å²	84	77.3 Å²	77.3	52%	0.515	40%	0.399	S	S	.	.	S	Bend	trans	-68.7	-3	178.1	63.9	0	0	0	0	114.1	M270 E276	M270-T274 PolarHBondContact O-N 3.21Å; M270-T274 PolarHBondContact O-OG1 3.06Å; T274-E276 PolarHBondContact O-N 3.15Å; T274-E276 WeakPolarHBondContact OG1-CG 3.31Å
275	G	55.1	Low	57.6	Low	45 Å²	45	75.4 Å²	75.4	46%	0.464	40%	0.397	S	S	.	.			trans	65.8	-5.6	-175.4	0	0	0	0	0	115.2	H273 K277	H273-G275 PolarHBondContact O-N 3.46Å; G275-K277 PolarHBondContact O-N 3.21Å; G275-K277 VanDerWaalsContact O-N 3.1Å
276	E	53.3	Low	56.7	Low	97 Å²	97	78.4 Å²	78.4	45%	0.453	41%	0.407	S	S	.	.			trans	-56.2	113	-173.1	-80.8	-172.9	175.1	0	0	112.6	K271 T274 P278	K271-E276 IonicContact NZ-OE2 2.76Å; K271-E276 PolarHBondContact NZ-OE2 3.5Å; T274-E276 PolarHBondContact O-N 3.15Å; T274-E276 WeakPolarHBondContact OG1-CG 3.31Å; E276-P278 HydrophobicContact CB-CG 4.48Å; E276-P278 WeakPolarHBondContact O-CD 3.46Å
277	K	57.5	Low	56	Low	120 Å²	120	79.6 Å²	79.6	52%	0.522	42%	0.417	S	S	.	.			trans	-122.5	74.7	171.7	-68.9	156.5	177	171.3	0	108.9	G275 Y279 C287 F288	G275-K277 PolarHBondContact O-N 3.21Å; G275-K277 VanDerWaalsContact O-N 3.1Å; K277-Y279 PolarHBondContact O-N 3.39Å; K277-C287 HydrophobicContact CB-CB 3.39Å; K277-C287 HydrophobicContact CD-CB 4.05Å; K277-C287 WeakPolarHBondContact CD-O 3.49Å; K277-C287 HydrophobicContact CG-CB 4.33Å; K277-C287 WeakPolarHBondContact O-CB 3.29Å; K277-F288 CarbonylContact C-O 3.57Å; K277-F288 VanDerWaalsContact C-O 3.28Å; K277-F288 WeakPolarHBondContact CA-O 3.39Å
278	P	63.2	Low	55.9	Low	78 Å²	78	76.2 Å²	76.2	51%	0.506	40%	0.401	S	S	.	.			trans	-67.9	-5.3	-167.3	-21.1	34.8	0	0	0	115.1	E276	E276-P278 HydrophobicContact CB-CG 4.48Å; E276-P278 WeakPolarHBondContact O-CD 3.46Å
279	Y	62.2	Low	55.4	Low	90 Å²	90	76 Å²	76	35%	0.353	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	81.3	-177.1	-54.4	-71	0	0	0	109.5	K277 F288 K291	K277-Y279 PolarHBondContact O-N 3.39Å; Y279-F288 WeakPolarHBondContact CB-O 3.2Å; Y279-F288 WeakPolarHBondContact CD2-O 3.05Å; Y279-F288 PolarHBondContact N-O 3.14Å; Y279-F288 PolarHBondContact O-N 2.78Å; Y279-K291 HydrophobicContact CD1-CB 3.87Å; Y279-K291 HydrophobicContact CD1-CG 4.29Å; Y279-K291 VanDerWaalsContact CD2-N 3.29Å; Y279-K291 HydrophobicContact CE1-CB 3.71Å; Y279-K291 HydrophobicContact CE1-CD 4.42Å; Y279-K291 HydrophobicContact CE1-CG 4.29Å; Y279-K291 HydrophobicContact CE2-CB 4.39Å; Y279-K291 HydrophobicContact CG-CB 4.29Å
280	R	48.9	Very low	55.3	Low	144 Å²	144	80.3 Å²	80.3	54%	0.543	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	146	173.1	-171	173.3	-170.6	-120.6	13.7	110.8	D282 L294	R280-D282 IonicContact NH1-OD1 2.83Å; R280-D282 PolarHBondContact NH1-OD1 3.17Å; R280-L294 WeakPolarHBondContact O-CD1 3.49Å; R280-L294 VanDerWaalsContact O-CD2 3.25Å; R280-L294 WeakPolarHBondContact O-CD2 3.43Å
281	C	58.3	Low	55.3	Low	1 Å²	1	84.9 Å²	84.9	1%	0.007	44%	0.435	C	S	.	.			trans	-100.5	114	164	178.9	0	0	0	0	108.8	Q283 C284 G285 K286 F288 L294 H301	C281-Q283 PolarHBondContact O-N 3.44Å; C281-C284 PolarHBondContact O-N 3.18Å; C281-G285 VanDerWaalsContact O-CA 3.3Å; C281-G285 WeakPolarHBondContact O-CA 3.28Å; C281-G285 PolarHBondContact O-N 2.89Å; C281-K286 WeakPolarHBondContact CB-O 3.42Å; C281-K286 PolarHBondContact N-O 2.99Å; C281-F288 HydrophobicContact CB-CE2 4.33Å; C281-L294 HydrophobicContact CB-CD1 3.63Å; C281-H301 PolarHBondContact SG-NE2 3.05Å; C281-H301 VanDerWaalsContact SG-NE2 3.36Å
282	D	60.6	Low	55.2	Low	127 Å²	127	89.6 Å²	89.6	68%	0.679	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-18.2	-174.2	-53.7	-63.4	0	0	0	113.1	R280	R280-D282 IonicContact NH1-OD1 2.83Å; R280-D282 PolarHBondContact NH1-OD1 3.17Å
283	Q	54.8	Low	55.6	Low	135 Å²	135	86.5 Å²	86.5	63%	0.631	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-17.3	175.7	-68.1	174.3	-37.9	0	0	114.4	C281 H301	C281-Q283 PolarHBondContact O-N 3.44Å; Q283-H301 VanDerWaalsContact OE1-CB 3.31Å; Q283-H301 PolarHBondContact OE1-CD2 2.79Å; Q283-H301 VanDerWaalsContact OE1-CD2 3.27Å
284	C	50.5	Low	56.2	Low	51 Å²	51	84.6 Å²	84.6	35%	0.345	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.3	13.1	-179.8	73.7	0	0	0	0	115.3	C281 K286 H297 H301	C281-C284 PolarHBondContact O-N 3.18Å; C284-K286 PolarHBondContact O-N 3.14Å; C284-H297 PolarHBondContact SG-NE2 3.02Å; C284-H301 PolarHBondContact SG-NE2 2.94Å
285	G	44.3	Very low	56.7	Low	36 Å²	36	86.9 Å²	86.9	37%	0.371	44%	0.436	S	S	.	.			trans	68	-8.5	179.8	0	0	0	0	0	116.3	C281 C287	C281-G285 VanDerWaalsContact O-CA 3.3Å; C281-G285 WeakPolarHBondContact O-CA 3.28Å; C281-G285 PolarHBondContact O-N 2.89Å; G285-C287 PolarHBondContact O-N 3.06Å; G285-C287 PolarHBondContact O-SG 3.28Å; G285-C287 VanDerWaalsContact O-SG 3.35Å
286	K	45.2	Very low	57.1	Low	130 Å²	130	87.1 Å²	87.1	57%	0.565	43%	0.427	S	S	*	.			trans	-68	125.3	-175.1	-70	175	-175.9	167.3	0	111.1	C281 C284 F288	C281-K286 WeakPolarHBondContact CB-O 3.42Å; C281-K286 PolarHBondContact N-O 2.99Å; C284-K286 PolarHBondContact O-N 3.14Å; K286-F288 HydrophobicContact CB-CE2 3.78Å; K286-F288 HydrophobicContact CB-CZ 4.07Å; K286-F288 WeakPolarHBondContact O-CD2 3.37Å; K286-F288 WeakPolarHBondContact O-CE2 3.16Å
287	C	48.8	Very low	57.5	Low	52 Å²	52	83.3 Å²	83.3	35%	0.351	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	139.7	-178.7	-57.7	0	0	0	0	112.1	K277 G285	K277-C287 HydrophobicContact CB-CB 3.39Å; K277-C287 HydrophobicContact CD-CB 4.05Å; K277-C287 WeakPolarHBondContact CD-O 3.49Å; K277-C287 HydrophobicContact CG-CB 4.33Å; K277-C287 WeakPolarHBondContact O-CB 3.29Å; G285-C287 PolarHBondContact O-N 3.06Å; G285-C287 PolarHBondContact O-SG 3.28Å; G285-C287 VanDerWaalsContact O-SG 3.35Å
288	F	60.4	Low	57.8	Low	43 Å²	43	80.9 Å²	80.9	19%	0.189	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	147.2	-175.4	-63.1	-93.4	0	0	0	112.3	K277 Y279 C281 K286 Y290 L294 H297	K277-F288 CarbonylContact C-O 3.57Å; K277-F288 VanDerWaalsContact C-O 3.28Å; K277-F288 WeakPolarHBondContact CA-O 3.39Å; Y279-F288 WeakPolarHBondContact CB-O 3.2Å; Y279-F288 WeakPolarHBondContact CD2-O 3.05Å; Y279-F288 PolarHBondContact N-O 3.14Å; Y279-F288 PolarHBondContact O-N 2.78Å; C281-F288 HydrophobicContact CB-CE2 4.33Å; K286-F288 HydrophobicContact CB-CE2 3.78Å; K286-F288 HydrophobicContact CB-CZ 4.07Å; K286-F288 WeakPolarHBondContact O-CD2 3.37Å; K286-F288 WeakPolarHBondContact O-CE2 3.16Å; F288-Y290 VanDerWaalsContact C-N 3.33Å; F288-L294 HydrophobicContact CB-CB 4.35Å; F288-L294 HydrophobicContact CD2-CB 4.32Å; F288-L294 HydrophobicContact CD2-CD1 4Å; F288-L294 HydrophobicContact CE2-CD1 4.38Å; F288-L294 HydrophobicContact CG-CB 4.47Å; F288-H297 HydrophobicContact CE1-CB 4.01Å; F288-H297 HydrophobicContact CE2-CB 4.02Å; F288-H297 AromaticContact CE2-CD2 3.11Å; F288-H297 WeakPolarHBondContact CE2-CD2 3.22Å; F288-H297 AromaticContact CE2-CG 3.68Å; F288-H297 AromaticContact CE2-NE2 3.85Å; F288-H297 HydrophobicContact CZ-CB 3.62Å; F288-H297 AromaticContact CZ-CD2 3.21Å; F288-H297 WeakPolarHBondContact CZ-CD2 3.4Å; F288-H297 AromaticContact CZ-CG 3.31Å; F288-H297 AromaticContact CZ-NE2 3.85Å
289	P	48.7	Very low	57.8	Low	49 Å²	49	80.5 Å²	80.5	32%	0.318	39%	0.393	S	S	.	.	S	Bend	trans	-77.6	-13	176.6	29.4	-33.6	0	0	0	114
290	Y	63.4	Low	57.7	Low	112 Å²	112	78.1 Å²	78.1	44%	0.439	39%	0.386	S	S	.	.	S	Bend	trans	-135.9	138.6	-179.4	-43.5	-76.8	0	0	0	112.6	V268 F288 Q292 S293 L294	V268-Y290 HydrophobicContact CG1-CE1 3.7Å; V268-Y290 WeakPolarHBondContact CG1-OH 3.32Å; V268-Y290 HydrophobicContact CG2-CE1 4.48Å; F288-Y290 VanDerWaalsContact C-N 3.33Å; Y290-Q292 PolarHBondContact O-N 3.22Å; Y290-S293 WeakPolarHBondContact O-CB 3.5Å; Y290-S293 PolarHBondContact O-N 3.08Å; Y290-L294 PolarHBondContact O-N 3.49Å
291	K	59.2	Low	58.3	Low	150 Å²	150	74.9 Å²	74.9	65%	0.652	38%	0.376	S	S	*	.	H	α-helix	trans	-58.1	-32.6	174.6	-170.1	168.3	-177.6	170	0	113.2	Y279 L294 K295	Y279-K291 HydrophobicContact CD1-CB 3.87Å; Y279-K291 HydrophobicContact CD1-CG 4.29Å; Y279-K291 VanDerWaalsContact CD2-N 3.29Å; Y279-K291 HydrophobicContact CE1-CB 3.71Å; Y279-K291 HydrophobicContact CE1-CD 4.42Å; Y279-K291 HydrophobicContact CE1-CG 4.29Å; Y279-K291 HydrophobicContact CE2-CB 4.39Å; Y279-K291 HydrophobicContact CG-CB 4.29Å; K291-L294 PolarHBondContact O-N 3.02Å; K291-K295 PolarHBondContact O-N 2.87Å
292	Q	62.4	Low	58.6	Low	167 Å²	167	78.6 Å²	78.6	78%	0.78	41%	0.407	S	S	*	.	H	α-helix	trans	-66.5	-38.6	174.7	-72.3	174.2	-26.1	0	0	112.2	Y290 K295 L296	Y290-Q292 PolarHBondContact O-N 3.22Å; Q292-K295 PolarHBondContact O-N 3.33Å; Q292-L296 WeakPolarHBondContact O-CB 3.37Å; Q292-L296 PolarHBondContact O-N 3.29Å
293	S	63	Low	58.5	Low	41 Å²	41	81.5 Å²	81.5	29%	0.287	41%	0.413	S	S	.	.	H	α-helix	trans	-71.6	-33.8	175.9	-56.2	0	0	0	0	112.4	Y290 H297	Y290-S293 WeakPolarHBondContact O-CB 3.5Å; Y290-S293 PolarHBondContact O-N 3.08Å; S293-H297 VanDerWaalsContact O-CB 3.31Å; S293-H297 WeakPolarHBondContact O-CB 3.37Å; S293-H297 PolarHBondContact O-N 3.23Å
294	L	63.4	Low	58.8	Low	24 Å²	24	76.7 Å²	76.7	13%	0.126	40%	0.4	C	S	.	.	H	α-helix	trans	-64.5	-47.9	169.3	175.5	62.4	0	0	0	111.3	R280 C281 F288 Y290 K291 L296 H297 L298	R280-L294 WeakPolarHBondContact O-CD1 3.49Å; R280-L294 VanDerWaalsContact O-CD2 3.25Å; R280-L294 WeakPolarHBondContact O-CD2 3.43Å; C281-L294 HydrophobicContact CB-CD1 3.63Å; F288-L294 HydrophobicContact CB-CB 4.35Å; F288-L294 HydrophobicContact CD2-CB 4.32Å; F288-L294 HydrophobicContact CD2-CD1 4Å; F288-L294 HydrophobicContact CE2-CD1 4.38Å; F288-L294 HydrophobicContact CG-CB 4.47Å; Y290-L294 PolarHBondContact O-N 3.49Å; K291-L294 PolarHBondContact O-N 3.02Å; L294-L296 VanDerWaalsContact C-N 3.34Å; L294-L296 PolarHBondContact O-N 3.26Å; L294-H297 CarbonylContact O-C 3.58Å; L294-H297 WeakPolarHBondContact O-CA 2.76Å; L294-H297 WeakPolarHBondContact O-CB 3.5Å; L294-H297 PolarHBondContact O-N 3.25Å; L294-L298 HydrophobicContact CD1-CD1 4.25Å; L294-L298 HydrophobicContact CD1-CD2 4.46Å; L294-L298 HydrophobicContact CD1-CG 4.09Å; L294-L298 HydrophobicContact CG-CD1 4.06Å; L294-L298 HydrophobicContact CG-CG 4.36Å; L294-L298 WeakPolarHBondContact O-CG 3.43Å; L294-L298 PolarHBondContact O-N 3.41Å
295	K	68.4	Low	59.4	Low	132 Å²	132	76.8 Å²	76.8	57%	0.574	40%	0.397	S	S	*	.	H	α-helix	trans	-56.8	-49	178.3	-168	-168.9	-177	-100.6	0	111.5	K291 Q292 H297 L298 E299	K291-K295 PolarHBondContact O-N 2.87Å; Q292-K295 PolarHBondContact O-N 3.33Å; K295-H297 PolarHBondContact O-N 2.46Å; K295-L298 PolarHBondContact O-N 3Å; K295-L298 VanDerWaalsContact O-N 3.16Å; K295-E299 IonicContact NZ-OE1 2.8Å; K295-E299 PolarHBondContact NZ-OE1 3.13Å; K295-E299 WeakPolarHBondContact O-CG 3.35Å; K295-E299 PolarHBondContact O-N 2.78Å
296	L	62.5	Low	60.3	Low	51 Å²	51	78.2 Å²	78.2	27%	0.267	40%	0.4	S	S	.	.	H	α-helix	trans	-60	-30.5	176.3	-169.7	79.6	0	0	0	112.7	Q292 L294 K317 T318	Q292-L296 WeakPolarHBondContact O-CB 3.37Å; Q292-L296 PolarHBondContact O-N 3.29Å; L294-L296 VanDerWaalsContact C-N 3.34Å; L294-L296 PolarHBondContact O-N 3.26Å; L296-K317 WeakPolarHBondContact CD1-O 3.27Å; L296-K317 HydrophobicContact CD2-CB 4.38Å; L296-K317 HydrophobicContact CD2-CG 4.31Å; L296-K317 WeakPolarHBondContact CD2-O 3.17Å; L296-K317 WeakPolarHBondContact CG-O 3.34Å; L296-T318 HydrophobicContact CD1-CG2 4.19Å; L296-T318 HydrophobicContact CD2-CG2 3.47Å; L296-T318 VanDerWaalsContact CD2-CG2 3.47Å; L296-T318 HydrophobicContact CG-CG2 4.41Å
297	H	62.5	Low	61.2	Low	17 Å²	17	76.2 Å²	76.2	8%	0.079	39%	0.389	C	S	.	.	H	α-helix	trans	-78.1	-36.8	175.5	173.6	47	0	0	0	113	C284 F288 S293 L294 K295 E299 I300 H301	C284-H297 PolarHBondContact SG-NE2 3.02Å; F288-H297 HydrophobicContact CE1-CB 4.01Å; F288-H297 HydrophobicContact CE2-CB 4.02Å; F288-H297 AromaticContact CE2-CD2 3.11Å; F288-H297 WeakPolarHBondContact CE2-CD2 3.22Å; F288-H297 AromaticContact CE2-CG 3.68Å; F288-H297 AromaticContact CE2-NE2 3.85Å; F288-H297 HydrophobicContact CZ-CB 3.62Å; F288-H297 AromaticContact CZ-CD2 3.21Å; F288-H297 WeakPolarHBondContact CZ-CD2 3.4Å; F288-H297 AromaticContact CZ-CG 3.31Å; F288-H297 AromaticContact CZ-NE2 3.85Å; S293-H297 VanDerWaalsContact O-CB 3.31Å; S293-H297 WeakPolarHBondContact O-CB 3.37Å; S293-H297 PolarHBondContact O-N 3.23Å; L294-H297 CarbonylContact O-C 3.58Å; L294-H297 WeakPolarHBondContact O-CA 2.76Å; L294-H297 WeakPolarHBondContact O-CB 3.5Å; L294-H297 PolarHBondContact O-N 3.25Å; K295-H297 PolarHBondContact O-N 2.46Å; H297-E299 PolarHBondContact O-N 2.9Å; H297-I300 WeakPolarHBondContact O-CA 3.29Å; H297-I300 VanDerWaalsContact O-CB 3.24Å; H297-I300 WeakPolarHBondContact O-CB 3.4Å; H297-I300 PolarHBondContact O-N 3.31Å; H297-H301 AromaticContact CE1-CD2 3.95Å; H297-H301 AromaticContact CE1-CE1 3.89Å; H297-H301 AromaticContact CE1-NE2 3.32Å; H297-H301 PolarHBondContact CE1-NE2 2.75Å; H297-H301 VanDerWaalsContact CE1-NE2 3.32Å; H297-H301 AromaticContact NE2-CD2 3.93Å; H297-H301 AromaticContact NE2-NE2 3.22Å; H297-H301 PolarHBondContact NE2-NE2 2.95Å; H297-H301 PolarHBondContact O-N 2.96Å
298	L	62.8	Low	61.4	Low	68 Å²	68	77.1 Å²	77.1	36%	0.356	39%	0.394	S	S	.	.	H	α-helix	trans	-63.1	-31.8	172.1	-66.4	168.4	0	0	0	111.2	L294 K295 I300 H301 A302	L294-L298 HydrophobicContact CD1-CD1 4.25Å; L294-L298 HydrophobicContact CD1-CD2 4.46Å; L294-L298 HydrophobicContact CD1-CG 4.09Å; L294-L298 HydrophobicContact CG-CD1 4.06Å; L294-L298 HydrophobicContact CG-CG 4.36Å; L294-L298 WeakPolarHBondContact O-CG 3.43Å; L294-L298 PolarHBondContact O-N 3.41Å; K295-L298 PolarHBondContact O-N 3Å; K295-L298 VanDerWaalsContact O-N 3.16Å; L298-I300 PolarHBondContact O-N 3.15Å; L298-H301 PolarHBondContact O-N 3.01Å; L298-H301 VanDerWaalsContact O-N 3.16Å; L298-A302 PolarHBondContact O-N 3.22Å
299	E	64.3	Low	61.7	Low	71 Å²	71	75.1 Å²	75.1	33%	0.332	39%	0.385	S	S	.	.	H	α-helix	trans	-61.9	-28	170.5	-70.1	161.1	-168.7	0	0	112.3	K295 H297 A302 K303	K295-E299 IonicContact NZ-OE1 2.8Å; K295-E299 PolarHBondContact NZ-OE1 3.13Å; K295-E299 WeakPolarHBondContact O-CG 3.35Å; K295-E299 PolarHBondContact O-N 2.78Å; H297-E299 PolarHBondContact O-N 2.9Å; E299-A302 PolarHBondContact O-N 3.22Å; E299-K303 PolarHBondContact O-N 3.01Å; E299-K303 VanDerWaalsContact O-N 3.14Å
300	I	58.9	Low	62.2	Low	40 Å²	40	79.8 Å²	79.8	21%	0.205	41%	0.407	C	S	.	.	H	α-helix	trans	-70.8	-37	173.1	-51.3	172	0	0	0	111.7	H297 L298 G304 K317	H297-I300 WeakPolarHBondContact O-CA 3.29Å; H297-I300 VanDerWaalsContact O-CB 3.24Å; H297-I300 WeakPolarHBondContact O-CB 3.4Å; H297-I300 PolarHBondContact O-N 3.31Å; L298-I300 PolarHBondContact O-N 3.15Å; I300-G304 WeakPolarHBondContact CA-O 3.43Å; I300-G304 WeakPolarHBondContact O-CA 3.49Å; I300-G304 PolarHBondContact O-N 2.8Å; I300-K317 HydrophobicContact CD1-CB 3.78Å; I300-K317 HydrophobicContact CG1-CB 4.41Å
301	H	61.9	Low	61.9	Low	76 Å²	76	79.6 Å²	79.6	35%	0.352	41%	0.41	S	S	.	.	H	α-helix	trans	-72	-32.1	175.1	-67.2	-58.8	0	0	0	112.2	C281 Q283 C284 H297 L298	C281-H301 PolarHBondContact SG-NE2 3.05Å; C281-H301 VanDerWaalsContact SG-NE2 3.36Å; Q283-H301 VanDerWaalsContact OE1-CB 3.31Å; Q283-H301 PolarHBondContact OE1-CD2 2.79Å; Q283-H301 VanDerWaalsContact OE1-CD2 3.27Å; C284-H301 PolarHBondContact SG-NE2 2.94Å; H297-H301 AromaticContact CE1-CD2 3.95Å; H297-H301 AromaticContact CE1-CE1 3.89Å; H297-H301 AromaticContact CE1-NE2 3.32Å; H297-H301 PolarHBondContact CE1-NE2 2.75Å; H297-H301 VanDerWaalsContact CE1-NE2 3.32Å; H297-H301 AromaticContact NE2-CD2 3.93Å; H297-H301 AromaticContact NE2-NE2 3.22Å; H297-H301 PolarHBondContact NE2-NE2 2.95Å; H297-H301 PolarHBondContact O-N 2.96Å; L298-H301 PolarHBondContact O-N 3.01Å; L298-H301 VanDerWaalsContact O-N 3.16Å
302	A	64.8	Low	62	Low	78 Å²	78	74.7 Å²	74.7	65%	0.645	39%	0.394	S	S	*	.	H	α-helix	trans	-79.2	-29.8	-177.9	0	0	0	0	0	114.4	L298 E299	L298-A302 PolarHBondContact O-N 3.22Å; E299-A302 PolarHBondContact O-N 3.22Å
303	K	58.2	Low	61.6	Low	188 Å²	188	69.2 Å²	69.2	82%	0.817	38%	0.382	S	S	*	.	H	α-helix	trans	-145	10.5	-173.9	-65.4	-163.7	174.5	-164.3	0	115.5	E299	E299-K303 PolarHBondContact O-N 3.01Å; E299-K303 VanDerWaalsContact O-N 3.14Å
304	G	62.2	Low	61.3	Low	34 Å²	34	73.1 Å²	73.1	35%	0.351	39%	0.394	S	S	.	.	S	Bend	trans	69.8	-174.2	-165.7	0	0	0	0	0	112.2	I300 P306	I300-G304 WeakPolarHBondContact CA-O 3.43Å; I300-G304 WeakPolarHBondContact O-CA 3.49Å; I300-G304 PolarHBondContact O-N 2.8Å; G304-P306 WeakPolarHBondContact O-CD 3.4Å
305	N	61.4	Low	61.2	Low	54 Å²	54	74.8 Å²	74.8	29%	0.289	41%	0.408	S	S	.	.			trans	-67.4	116	175.1	-82.7	-60.7	0	0	0	109.8	Y307 S315 K317	N305-Y307 PolarHBondContact O-N 2.82Å; N305-S315 VanDerWaalsContact CB-CB 3.5Å; N305-K317 PolarHBondContact OD1-N 3.39Å
306	P	64.8	Low	61.3	Low	65 Å²	65	70.6 Å²	70.6	42%	0.422	39%	0.39	S	S	.	.	S	Bend	trans	-71.3	5.7	-168.1	-20.8	34.2	0	0	0	116.5	G304	G304-P306 WeakPolarHBondContact O-CD 3.4Å
307	Y	63.7	Low	61.1	Low	88 Å²	88	73.1 Å²	73.1	35%	0.345	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	89.3	-176.9	-54.5	-80.3	0	0	0	109.5	N305 F316 C319 F322	N305-Y307 PolarHBondContact O-N 2.82Å; Y307-F316 PolarHBondContact N-O 3.04Å; Y307-F316 PolarHBondContact O-N 3.09Å; Y307-C319 HydrophobicContact CD1-CB 4.2Å; Y307-C319 VanDerWaalsContact CD2-N 3.34Å; Y307-C319 HydrophobicContact CE1-CB 3.63Å; Y307-C319 HydrophobicContact CE2-CB 4.11Å; Y307-F322 HydrophobicContact CD1-CD1 4.27Å; Y307-F322 HydrophobicContact CG-CB 4.18Å
308	T	52.5	Low	61	Low	72 Å²	72	74 Å²	74	44%	0.442	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	148	171.7	47.1	0	0	0	0	110.7	D310 F322	T308-D310 PolarHBondContact OG1-OD1 3.35Å; T308-F322 WeakPolarHBondContact O-CE2 3.49Å; T308-F322 WeakPolarHBondContact O-CZ 3.32Å
309	C	66.4	Low	60.6	Low	1 Å²	1	72.8 Å²	72.8	1%	0.007	40%	0.402	C	S	.	.			trans	-100.3	116.1	163.4	173.9	0	0	0	0	109	E311 C312 G313 K314 F322 H325 M326	C309-E311 VanDerWaalsContact C-N 3.31Å; C309-E311 PolarHBondContact O-N 3.02Å; C309-C312 PolarHBondContact O-N 2.9Å; C309-C312 VanDerWaalsContact SG-SG 3.64Å; C309-G313 VanDerWaalsContact O-CA 3.25Å; C309-G313 WeakPolarHBondContact O-CA 3.47Å; C309-G313 PolarHBondContact O-N 3.36Å; C309-K314 WeakPolarHBondContact CB-O 3.33Å; C309-K314 PolarHBondContact N-O 3.33Å; C309-F322 HydrophobicContact CB-CE2 3.96Å; C309-H325 VanDerWaalsContact CB-NE2 3.29Å; C309-H325 WeakPolarHBondContact CB-NE2 3.32Å; C309-H325 PolarHBondContact SG-NE2 3.19Å; C309-H325 VanDerWaalsContact SG-NE2 3.44Å; C309-M326 HydrophobicContact CB-SD 4.11Å
310	D	58.9	Low	60.4	Low	146 Å²	146	75.2 Å²	75.2	78%	0.781	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-25.1	-174	-44.2	-48.4	0	0	0	111.3	T308 C312	T308-D310 PolarHBondContact OG1-OD1 3.35Å; D310-C312 VanDerWaalsContact C-N 3.3Å; D310-C312 PolarHBondContact O-N 3.43Å
311	E	57.8	Low	60.7	Low	109 Å²	109	77.3 Å²	77.3	51%	0.509	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-18.8	174	-64.2	176.8	-136.7	0	0	114.2	C309 M326 H329	C309-E311 VanDerWaalsContact C-N 3.31Å; C309-E311 PolarHBondContact O-N 3.02Å; E311-M326 WeakPolarHBondContact OE1-CE 3.11Å; E311-H329 VanDerWaalsContact OE2-CB 3.28Å; E311-H329 WeakPolarHBondContact OE2-CB 3.43Å; E311-H329 IonicContact OE2-CD2 2.79Å; E311-H329 IonicContact OE2-CE1 2.72Å; E311-H329 PolarHBondContact OE2-CE1 2.69Å; E311-H329 IonicContact OE2-CG 3.49Å; E311-H329 IonicContact OE2-ND1 3.76Å; E311-H329 PolarHBondContact OE2-ND1 3.26Å
312	C	61	Low	60.9	Low	46 Å²	46	76 Å²	76	31%	0.311	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.8	15.2	-178.4	73.4	0	0	0	0	116.7	C309 D310 K314 H325 H329	C309-C312 PolarHBondContact O-N 2.9Å; C309-C312 VanDerWaalsContact SG-SG 3.64Å; D310-C312 VanDerWaalsContact C-N 3.3Å; D310-C312 PolarHBondContact O-N 3.43Å; C312-K314 PolarHBondContact O-N 3.34Å; C312-H325 PolarHBondContact SG-CE1 3.26Å; C312-H325 PolarHBondContact SG-NE2 3.33Å; C312-H325 VanDerWaalsContact SG-NE2 3.36Å; C312-H329 WeakPolarHBondContact CB-NE2 3.31Å; C312-H329 PolarHBondContact SG-NE2 2.98Å
313	G	54.4	Low	60.8	Low	52 Å²	52	78 Å²	78	54%	0.536	41%	0.41	S	S	.	.			trans	67.4	-14.4	-179.9	0	0	0	0	0	116.3	C309 S315	C309-G313 VanDerWaalsContact O-CA 3.25Å; C309-G313 WeakPolarHBondContact O-CA 3.47Å; C309-G313 PolarHBondContact O-N 3.36Å; G313-S315 PolarHBondContact O-N 2.87Å; G313-S315 PolarHBondContact O-OG 2.91Å; G313-S315 VanDerWaalsContact O-OG 3.1Å
314	K	57.3	Low	61.1	Low	124 Å²	124	72 Å²	72	54%	0.539	39%	0.391	S	S	.	.			trans	-62.9	128	-172.2	-69.6	173.6	-170.3	159.8	0	110.8	C309 C312 F316	C309-K314 WeakPolarHBondContact CB-O 3.33Å; C309-K314 PolarHBondContact N-O 3.33Å; C312-K314 PolarHBondContact O-N 3.34Å; K314-F316 HydrophobicContact CB-CE2 3.67Å; K314-F316 HydrophobicContact CB-CZ 3.79Å; K314-F316 WeakPolarHBondContact O-CD2 3.12Å; K314-F316 WeakPolarHBondContact O-CE2 3.3Å
315	S	61.5	Low	61.6	Low	59 Å²	59	71 Å²	71	41%	0.413	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	135	-170.7	-13	0	0	0	0	111.3	N305 G313	N305-S315 VanDerWaalsContact CB-CB 3.5Å; G313-S315 PolarHBondContact O-N 2.87Å; G313-S315 PolarHBondContact O-OG 2.91Å; G313-S315 VanDerWaalsContact O-OG 3.1Å
316	F	69.6	Low	61.6	Low	44 Å²	44	69.2 Å²	69.2	19%	0.193	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	139.8	-168.6	-60.1	-90.5	0	0	0	112.7	Y307 K314 T318 Q321 F322 H325	Y307-F316 PolarHBondContact N-O 3.04Å; Y307-F316 PolarHBondContact O-N 3.09Å; K314-F316 HydrophobicContact CB-CE2 3.67Å; K314-F316 HydrophobicContact CB-CZ 3.79Å; K314-F316 WeakPolarHBondContact O-CD2 3.12Å; K314-F316 WeakPolarHBondContact O-CE2 3.3Å; F316-T318 VanDerWaalsContact C-N 3.28Å; F316-T318 PolarHBondContact O-N 3.23Å; F316-Q321 HydrophobicContact CB-CB 4.39Å; F316-Q321 HydrophobicContact CD1-CB 4.11Å; F316-F322 HydrophobicContact CB-CB 4.03Å; F316-F322 HydrophobicContact CD2-CB 4.24Å; F316-F322 AromaticContact CD2-CD2 3.98Å; F316-F322 HydrophobicContact CD2-CD2 3.98Å; F316-F322 HydrophobicContact CG-CB 4.27Å; F316-H325 HydrophobicContact CD1-CB 4.48Å; F316-H325 HydrophobicContact CE1-CB 3.74Å; F316-H325 HydrophobicContact CE2-CB 3.87Å; F316-H325 AromaticContact CE2-CD2 3.03Å; F316-H325 WeakPolarHBondContact CE2-CD2 3.17Å; F316-H325 AromaticContact CE2-CG 3.5Å; F316-H325 AromaticContact CE2-NE2 3.7Å; F316-H325 HydrophobicContact CZ-CB 3.4Å; F316-H325 VanDerWaalsContact CZ-CB 3.4Å; F316-H325 AromaticContact CZ-CD2 3.25Å; F316-H325 WeakPolarHBondContact CZ-CD2 3.34Å; F316-H325 AromaticContact CZ-CG 3.18Å; F316-H325 AromaticContact CZ-ND1 3.88Å; F316-H325 AromaticContact CZ-NE2 3.88Å
317	K	58.3	Low	61.6	Low	103 Å²	103	68.1 Å²	68.1	45%	0.448	36%	0.36	S	S	.	.	S	Bend	trans	-74.3	-6.4	176.9	65.4	-168.8	174.5	-165	0	115.1	L296 I300 N305 Q321	L296-K317 WeakPolarHBondContact CD1-O 3.27Å; L296-K317 HydrophobicContact CD2-CB 4.38Å; L296-K317 HydrophobicContact CD2-CG 4.31Å; L296-K317 WeakPolarHBondContact CD2-O 3.17Å; L296-K317 WeakPolarHBondContact CG-O 3.34Å; I300-K317 HydrophobicContact CD1-CB 3.78Å; I300-K317 HydrophobicContact CG1-CB 4.41Å; N305-K317 PolarHBondContact OD1-N 3.39Å; K317-Q321 VanDerWaalsContact CG-OE1 3.24Å
318	T	59.9	Low	61.5	Low	36 Å²	36	70.2 Å²	70.2	22%	0.221	38%	0.376	C	S	.	.	S	Bend	trans	-146.7	146.9	174.8	60.6	0	0	0	0	112.9	L296 F316 L320 Q321 F322	L296-T318 HydrophobicContact CD1-CG2 4.19Å; L296-T318 HydrophobicContact CD2-CG2 3.47Å; L296-T318 VanDerWaalsContact CD2-CG2 3.47Å; L296-T318 HydrophobicContact CG-CG2 4.41Å; F316-T318 VanDerWaalsContact C-N 3.28Å; F316-T318 PolarHBondContact O-N 3.23Å; T318-L320 PolarHBondContact O-N 2.91Å; T318-Q321 PolarHBondContact O-N 3.39Å; T318-Q321 VanDerWaalsContact O-N 3.11Å; T318-Q321 VanDerWaalsContact OG1-CB 3.27Å; T318-Q321 WeakPolarHBondContact OG1-CB 3.46Å; T318-Q321 WeakPolarHBondContact OG1-CG 3.46Å; T318-Q321 PolarHBondContact OG1-N 2.93Å; T318-Q321 VanDerWaalsContact OG1-N 3.13Å; T318-Q321 PolarHBondContact OG1-OE1 2.81Å; T318-F322 PolarHBondContact O-N 2.97Å
319	C	55.1	Low	62.1	Low	42 Å²	42	68.7 Å²	68.7	28%	0.284	36%	0.364	S	S	.	.	H	α-helix	trans	-53.5	-36.6	171	-177.1	0	0	0	0	112.7	Y307 R323	Y307-C319 HydrophobicContact CD1-CB 4.2Å; Y307-C319 VanDerWaalsContact CD2-N 3.34Å; Y307-C319 HydrophobicContact CE1-CB 3.63Å; Y307-C319 HydrophobicContact CE2-CB 4.11Å; C319-R323 VanDerWaalsContact O-CB 3.24Å; C319-R323 WeakPolarHBondContact O-CB 3.41Å; C319-R323 PolarHBondContact O-N 2.99Å
320	L	60.5	Low	61.8	Low	123 Å²	123	72.5 Å²	72.5	64%	0.644	39%	0.389	S	S	*	.	H	α-helix	trans	-70.1	-39	178.9	-175.7	62.2	0	0	0	112.4	T318 S324	T318-L320 PolarHBondContact O-N 2.91Å; L320-S324 VanDerWaalsContact O-CB 3.3Å; L320-S324 WeakPolarHBondContact O-CB 2.84Å; L320-S324 PolarHBondContact O-N 3.13Å; L320-S324 PolarHBondContact O-OG 2.92Å
321	Q	64.3	Low	61.7	Low	84 Å²	84	73 Å²	73	39%	0.393	39%	0.387	S	S	.	.	H	α-helix	trans	-71.8	-40.4	175.7	-73.1	167.6	-33.6	0	0	111.4	F316 K317 T318 S324 H325	F316-Q321 HydrophobicContact CB-CB 4.39Å; F316-Q321 HydrophobicContact CD1-CB 4.11Å; K317-Q321 VanDerWaalsContact CG-OE1 3.24Å; T318-Q321 PolarHBondContact O-N 3.39Å; T318-Q321 VanDerWaalsContact O-N 3.11Å; T318-Q321 VanDerWaalsContact OG1-CB 3.27Å; T318-Q321 WeakPolarHBondContact OG1-CB 3.46Å; T318-Q321 WeakPolarHBondContact OG1-CG 3.46Å; T318-Q321 PolarHBondContact OG1-N 2.93Å; T318-Q321 VanDerWaalsContact OG1-N 3.13Å; T318-Q321 PolarHBondContact OG1-OE1 2.81Å; Q321-S324 PolarHBondContact O-N 3.17Å; Q321-H325 WeakPolarHBondContact O-CB 3.42Å; Q321-H325 PolarHBondContact O-N 2.69Å
322	F	65.6	Low	61.9	Low	48 Å²	48	71.8 Å²	71.8	21%	0.211	38%	0.378	C	S	.	.	H	α-helix	trans	-58.2	-54.3	171.2	173.6	-121.4	0	0	0	111.7	Y307 T308 C309 F316 T318 S324 H325 M326	Y307-F322 HydrophobicContact CD1-CD1 4.27Å; Y307-F322 HydrophobicContact CG-CB 4.18Å; T308-F322 WeakPolarHBondContact O-CE2 3.49Å; T308-F322 WeakPolarHBondContact O-CZ 3.32Å; C309-F322 HydrophobicContact CB-CE2 3.96Å; F316-F322 HydrophobicContact CB-CB 4.03Å; F316-F322 HydrophobicContact CD2-CB 4.24Å; F316-F322 AromaticContact CD2-CD2 3.98Å; F316-F322 HydrophobicContact CD2-CD2 3.98Å; F316-F322 HydrophobicContact CG-CB 4.27Å; T318-F322 PolarHBondContact O-N 2.97Å; F322-S324 VanDerWaalsContact C-N 3.26Å; F322-S324 PolarHBondContact O-N 3.01Å; F322-H325 CarbonylContact O-C 3.59Å; F322-H325 WeakPolarHBondContact O-CA 3.31Å; F322-H325 WeakPolarHBondContact O-CB 3.2Å; F322-H325 PolarHBondContact O-N 2.94Å; F322-M326 HydrophobicContact CD2-CG 4.06Å; F322-M326 HydrophobicContact CD2-SD 4.29Å; F322-M326 HydrophobicContact CE1-CG 4.2Å; F322-M326 HydrophobicContact CE2-CG 3.61Å; F322-M326 HydrophobicContact CE2-SD 3.46Å; F322-M326 WeakPolarHBondContact CE2-SD 3.36Å; F322-M326 HydrophobicContact CZ-CG 3.7Å; F322-M326 HydrophobicContact CZ-SD 3.77Å; F322-M326 WeakPolarHBondContact O-CG 3.16Å; F322-M326 PolarHBondContact O-N 2.98Å
323	R	62.7	Low	62.5	Low	121 Å²	121	73.9 Å²	73.9	46%	0.457	38%	0.382	S	S	.	.	H	α-helix	trans	-59	-37.1	177.7	-173	175.1	-66.7	136.6	3.4	112.3	C319 M326 T327	C319-R323 VanDerWaalsContact O-CB 3.24Å; C319-R323 WeakPolarHBondContact O-CB 3.41Å; C319-R323 PolarHBondContact O-N 2.99Å; R323-M326 PolarHBondContact O-N 2.99Å; R323-T327 WeakPolarHBondContact O-CG2 3.46Å; R323-T327 PolarHBondContact O-N 3.47Å
324	S	65.1	Low	63.3	Low	61 Å²	61	74.4 Å²	74.4	43%	0.427	38%	0.376	S	S	.	.	H	α-helix	trans	-69.8	-30.9	174.6	-56.9	0	0	0	0	113.1	L320 Q321 F322 T327	L320-S324 VanDerWaalsContact O-CB 3.3Å; L320-S324 WeakPolarHBondContact O-CB 2.84Å; L320-S324 PolarHBondContact O-N 3.13Å; L320-S324 PolarHBondContact O-OG 2.92Å; Q321-S324 PolarHBondContact O-N 3.17Å; F322-S324 VanDerWaalsContact C-N 3.26Å; F322-S324 PolarHBondContact O-N 3.01Å; S324-T327 PolarHBondContact O-OG1 3.3Å
325	H	71.8	Confident	64.3	Low	14 Å²	14	71.8 Å²	71.8	7%	0.065	36%	0.363	C	S	.	.	H	α-helix	trans	-73.5	-40.7	172.9	159.8	56.1	0	0	0	111.5	C309 C312 F316 Q321 F322 T327 L328	C309-H325 VanDerWaalsContact CB-NE2 3.29Å; C309-H325 WeakPolarHBondContact CB-NE2 3.32Å; C309-H325 PolarHBondContact SG-NE2 3.19Å; C309-H325 VanDerWaalsContact SG-NE2 3.44Å; C312-H325 PolarHBondContact SG-CE1 3.26Å; C312-H325 PolarHBondContact SG-NE2 3.33Å; C312-H325 VanDerWaalsContact SG-NE2 3.36Å; F316-H325 HydrophobicContact CD1-CB 4.48Å; F316-H325 HydrophobicContact CE1-CB 3.74Å; F316-H325 HydrophobicContact CE2-CB 3.87Å; F316-H325 AromaticContact CE2-CD2 3.03Å; F316-H325 WeakPolarHBondContact CE2-CD2 3.17Å; F316-H325 AromaticContact CE2-CG 3.5Å; F316-H325 AromaticContact CE2-NE2 3.7Å; F316-H325 HydrophobicContact CZ-CB 3.4Å; F316-H325 VanDerWaalsContact CZ-CB 3.4Å; F316-H325 AromaticContact CZ-CD2 3.25Å; F316-H325 WeakPolarHBondContact CZ-CD2 3.34Å; F316-H325 AromaticContact CZ-CG 3.18Å; F316-H325 AromaticContact CZ-ND1 3.88Å; F316-H325 AromaticContact CZ-NE2 3.88Å; Q321-H325 WeakPolarHBondContact O-CB 3.42Å; Q321-H325 PolarHBondContact O-N 2.69Å; F322-H325 CarbonylContact O-C 3.59Å; F322-H325 WeakPolarHBondContact O-CA 3.31Å; F322-H325 WeakPolarHBondContact O-CB 3.2Å; F322-H325 PolarHBondContact O-N 2.94Å; H325-T327 PolarHBondContact O-N 2.92Å; H325-T327 VanDerWaalsContact O-N 3.13Å; H325-L328 WeakPolarHBondContact O-CB 3.42Å; H325-L328 WeakPolarHBondContact O-CG 3.48Å; H325-L328 PolarHBondContact O-N 3.48Å
326	M	61.8	Low	65.1	Low	16 Å²	16	76.3 Å²	76.3	8%	0.079	38%	0.375	C	S	.	.	H	α-helix	trans	-57.5	-30.2	177	-66.1	-56.9	-65.6	0	0	111.7	C309 E311 F322 R323 L328 H329 Y332	C309-M326 HydrophobicContact CB-SD 4.11Å; E311-M326 WeakPolarHBondContact OE1-CE 3.11Å; F322-M326 HydrophobicContact CD2-CG 4.06Å; F322-M326 HydrophobicContact CD2-SD 4.29Å; F322-M326 HydrophobicContact CE1-CG 4.2Å; F322-M326 HydrophobicContact CE2-CG 3.61Å; F322-M326 HydrophobicContact CE2-SD 3.46Å; F322-M326 WeakPolarHBondContact CE2-SD 3.36Å; F322-M326 HydrophobicContact CZ-CG 3.7Å; F322-M326 HydrophobicContact CZ-SD 3.77Å; F322-M326 WeakPolarHBondContact O-CG 3.16Å; F322-M326 PolarHBondContact O-N 2.98Å; R323-M326 PolarHBondContact O-N 2.99Å; M326-L328 PolarHBondContact O-N 2.83Å; M326-H329 PolarHBondContact O-N 3.3Å; M326-Y332 HydrophobicContact CB-CD1 3.38Å; M326-Y332 HydrophobicContact CB-CD2 4.46Å; M326-Y332 HydrophobicContact CB-CE1 3.58Å; M326-Y332 HydrophobicContact CB-CG 3.86Å; M326-Y332 HydrophobicContact CE-CD2 4.06Å; M326-Y332 HydrophobicContact CE-CG 4.21Å; M326-Y332 WeakPolarHBondContact O-CB 3.25Å
327	T	66.3	Low	65.8	Low	42 Å²	42	75 Å²	75	26%	0.258	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-3	173.8	82.3	0	0	0	0	115.1	R323 S324 H325 G345 R346	R323-T327 WeakPolarHBondContact O-CG2 3.46Å; R323-T327 PolarHBondContact O-N 3.47Å; S324-T327 PolarHBondContact O-OG1 3.3Å; H325-T327 PolarHBondContact O-N 2.92Å; H325-T327 VanDerWaalsContact O-N 3.13Å; T327-G345 WeakPolarHBondContact CG2-O 3.14Å; T327-R346 HydrophobicContact CG2-CG 4.01Å
328	L	61.2	Low	66.8	Low	132 Å²	132	75.8 Å²	75.8	69%	0.691	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-16.6	173.2	-55.5	176.2	0	0	0	112.2	H325 M326	H325-L328 WeakPolarHBondContact O-CB 3.42Å; H325-L328 WeakPolarHBondContact O-CG 3.48Å; H325-L328 PolarHBondContact O-N 3.48Å; M326-L328 PolarHBondContact O-N 2.83Å
329	H	65.3	Low	67.6	Low	39 Å²	39	79 Å²	79	18%	0.181	39%	0.393	C	S	.	.	S	Bend	trans	-79.5	131.6	175.7	-66.2	-62	0	0	0	110.1	E311 C312 M326 E331 Y332	E311-H329 VanDerWaalsContact OE2-CB 3.28Å; E311-H329 WeakPolarHBondContact OE2-CB 3.43Å; E311-H329 IonicContact OE2-CD2 2.79Å; E311-H329 IonicContact OE2-CE1 2.72Å; E311-H329 PolarHBondContact OE2-CE1 2.69Å; E311-H329 IonicContact OE2-CG 3.49Å; E311-H329 IonicContact OE2-ND1 3.76Å; E311-H329 PolarHBondContact OE2-ND1 3.26Å; C312-H329 WeakPolarHBondContact CB-NE2 3.31Å; C312-H329 PolarHBondContact SG-NE2 2.98Å; M326-H329 PolarHBondContact O-N 3.3Å; H329-E331 PolarHBondContact O-N 2.97Å; H329-Y332 PolarHBondContact O-N 2.79Å
330	P	59	Low	68.8	Low	82 Å²	82	78.7 Å²	78.7	53%	0.532	39%	0.391	S	S	.	.	S	Bend	trans	-55.7	-35.4	-175.3	-29.7	37.3	0	0	0	114	K333	P330-K333 WeakPolarHBondContact O-CD 3.31Å; P330-K333 WeakPolarHBondContact O-CE 3.45Å; P330-K333 PolarHBondContact O-NZ 3.04Å
331	E	57.5	Low	69.6	Low	157 Å²	157	82.2 Å²	82.2	73%	0.734	40%	0.404	S	S	*	.	S	Bend	trans	-86.9	-23.9	-174.7	-54.4	-42.7	115	0	0	113.4	H329 K333	H329-E331 PolarHBondContact O-N 2.97Å; E331-K333 VanDerWaalsContact C-N 3.31Å; E331-K333 PolarHBondContact O-N 3.12Å
332	Y	62.6	Low	70.1	Confident	82 Å²	82	84.1 Å²	84.1	32%	0.322	41%	0.411	S	S	.	.			trans	-80.9	76.6	-178.2	-166.2	-92.4	0	0	0	112.4	M326 H329 P334	M326-Y332 HydrophobicContact CB-CD1 3.38Å; M326-Y332 HydrophobicContact CB-CD2 4.46Å; M326-Y332 HydrophobicContact CB-CE1 3.58Å; M326-Y332 HydrophobicContact CB-CG 3.86Å; M326-Y332 HydrophobicContact CE-CD2 4.06Å; M326-Y332 HydrophobicContact CE-CG 4.21Å; M326-Y332 WeakPolarHBondContact O-CB 3.25Å; H329-Y332 PolarHBondContact O-N 2.79Å; Y332-P334 HydrophobicContact CD1-CG 4.14Å; Y332-P334 HydrophobicContact CE1-CG 3.63Å; Y332-P334 VanDerWaalsContact O-CD 3.28Å; Y332-P334 WeakPolarHBondContact O-CD 3.49Å
333	K	72.3	Confident	70.7	Confident	90 Å²	90	83.4 Å²	83.4	39%	0.391	41%	0.412	S	S	.	.			trans	-116.7	68.8	176.8	-68.1	158.3	178.5	143.9	0	111.1	P330 E331 Y335 S343 Y344	P330-K333 WeakPolarHBondContact O-CD 3.31Å; P330-K333 WeakPolarHBondContact O-CE 3.45Å; P330-K333 PolarHBondContact O-NZ 3.04Å; E331-K333 VanDerWaalsContact C-N 3.31Å; E331-K333 PolarHBondContact O-N 3.12Å; K333-Y335 PolarHBondContact O-N 3.01Å; K333-Y335 VanDerWaalsContact O-N 3.15Å; K333-S343 WeakPolarHBondContact CD-O 3.42Å; K333-Y344 CarbonylContact C-O 3.14Å; K333-Y344 VanDerWaalsContact C-O 3.29Å; K333-Y344 WeakPolarHBondContact CA-O 3.06Å
334	P	71.9	Confident	71.4	Confident	64 Å²	64	80.2 Å²	80.2	42%	0.416	40%	0.4	S	S	.	.			trans	-64.6	-18.7	-173.1	24.7	-35.4	0	0	0	114.9	Y332 K336	Y332-P334 HydrophobicContact CD1-CG 4.14Å; Y332-P334 HydrophobicContact CE1-CG 3.63Å; Y332-P334 VanDerWaalsContact O-CD 3.28Å; Y332-P334 WeakPolarHBondContact O-CD 3.49Å; P334-K336 PolarHBondContact O-N 3.16Å
335	Y	78.8	Confident	71.7	Confident	68 Å²	68	78 Å²	78	27%	0.267	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	82.2	-179.5	-57.5	-84.3	0	0	0	110.2	K333 Y344 G345 R346 E347	K333-Y335 PolarHBondContact O-N 3.01Å; K333-Y335 VanDerWaalsContact O-N 3.15Å; Y335-Y344 WeakPolarHBondContact CB-O 3.36Å; Y335-Y344 PolarHBondContact N-O 3.18Å; Y335-Y344 PolarHBondContact O-N 2.87Å; Y335-G345 WeakPolarHBondContact CD2-O 3.09Å; Y335-G345 WeakPolarHBondContact CE2-O 3.4Å; Y335-R346 VanDerWaalsContact CD2-CA 3.47Å; Y335-E347 HydrophobicContact CD1-CB 3.92Å; Y335-E347 VanDerWaalsContact CD1-OE2 3.32Å; Y335-E347 WeakPolarHBondContact CD1-OE2 3.37Å; Y335-E347 VanDerWaalsContact CD2-N 3.31Å; Y335-E347 HydrophobicContact CE1-CB 3.64Å; Y335-E347 HydrophobicContact CE1-CG 4.34Å; Y335-E347 WeakPolarHBondContact CE1-OE2 3.32Å; Y335-E347 HydrophobicContact CG-CB 4.5Å
336	K	78.4	Confident	71.8	Confident	154 Å²	154	82.6 Å²	82.6	67%	0.67	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	145.5	176.4	-52.4	-160.7	176.9	-176.3	0	111.2	P334 S343 L350	P334-K336 PolarHBondContact O-N 3.16Å; K336-S343 WeakPolarHBondContact CG-OG 3.02Å; K336-L350 WeakPolarHBondContact O-CD2 3.28Å
337	C	83	Confident	72.2	Confident	16 Å²	16	85.7 Å²	85.7	11%	0.108	42%	0.418	C	S	.	.			trans	-81.2	147.4	165.4	-175.7	0	0	0	0	110.2	Q339 C340 K342 L350 H357	C337-Q339 PolarHBondContact SG-N 3.25Å; C337-Q339 VanDerWaalsContact SG-N 3.42Å; C337-C340 WeakPolarHBondContact CB-O 3.35Å; C337-K342 VanDerWaalsContact CB-O 3.24Å; C337-K342 WeakPolarHBondContact CB-O 3.29Å; C337-K342 PolarHBondContact N-O 3.48Å; C337-L350 HydrophobicContact CB-CD1 3.81Å; C337-H357 PolarHBondContact SG-NE2 3.47Å
338	D	79.7	Confident	72.6	Confident	120 Å²	120	87.4 Å²	87.4	64%	0.642	43%	0.426	S	S	*	.	S	Bend	trans	-82.8	-33.4	175	53.5	-2.9	0	0	0	112.3	M354	D338-M354 WeakPolarHBondContact OD1-CE 3.41Å
339	Q	76.4	Confident	73.4	Confident	103 Å²	103	83.7 Å²	83.7	48%	0.481	41%	0.405	S	S	.	.	S	Bend	trans	-98.9	-1	-173.4	-73.3	155.9	90.3	0	0	113.9	C337 H357	C337-Q339 PolarHBondContact SG-N 3.25Å; C337-Q339 VanDerWaalsContact SG-N 3.42Å; Q339-H357 VanDerWaalsContact C-CE1 3.48Å; Q339-H357 HydrophobicContact CB-CB 4.45Å; Q339-H357 PolarHBondContact O-CE1 3.49Å
340	C	81.5	Confident	74.1	Confident	37 Å²	37	82.7 Å²	82.7	25%	0.25	40%	0.401	C	S	.	.	S	Bend	trans	-163.7	166.7	161.5	70.8	0	0	0	0	111.6	C337 K342 H353 H357	C337-C340 WeakPolarHBondContact CB-O 3.35Å; C340-K342 PolarHBondContact O-N 2.95Å; C340-H353 PolarHBondContact SG-NE2 3.21Å; C340-H357 WeakPolarHBondContact CB-CE1 3.24Å; C340-H357 PolarHBondContact SG-CE1 3.48Å; C340-H357 PolarHBondContact SG-NE2 2.68Å
341	E	76.6	Confident	75	Confident	196 Å²	196	83.9 Å²	83.9	92%	0.916	40%	0.399	S	S	*	.	S	Bend	trans	-61.7	-3.9	-177.1	-58.2	170.2	158.8	0	0	115.3	S343	E341-S343 PolarHBondContact O-N 3.23Å; E341-S343 PolarHBondContact O-OG 3.26Å
342	K	74.4	Confident	76.1	Confident	124 Å²	124	82.5 Å²	82.5	54%	0.539	39%	0.387	S	S	.	.			trans	-73.5	121.7	-174.9	-67.2	175.8	-177.9	166.7	0	111.3	C337 C340 Y344	C337-K342 VanDerWaalsContact CB-O 3.24Å; C337-K342 WeakPolarHBondContact CB-O 3.29Å; C337-K342 PolarHBondContact N-O 3.48Å; C340-K342 PolarHBondContact O-N 2.95Å; K342-Y344 HydrophobicContact CB-CE2 3.87Å; K342-Y344 WeakPolarHBondContact O-CE2 3.29Å
343	S	79.1	Confident	77	Confident	33 Å²	33	79.3 Å²	79.3	23%	0.231	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	143.5	-179.7	-54.7	0	0	0	0	110.9	K333 K336 E341	K333-S343 WeakPolarHBondContact CD-O 3.42Å; K336-S343 WeakPolarHBondContact CG-OG 3.02Å; E341-S343 PolarHBondContact O-N 3.23Å; E341-S343 PolarHBondContact O-OG 3.26Å
344	Y	77.5	Confident	77.3	Confident	54 Å²	54	76.8 Å²	76.8	21%	0.212	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	145.9	-170.7	-61.4	-87.1	0	0	0	111.6	K333 Y335 K342 R346 H349 L350 H353	K333-Y344 CarbonylContact C-O 3.14Å; K333-Y344 VanDerWaalsContact C-O 3.29Å; K333-Y344 WeakPolarHBondContact CA-O 3.06Å; Y335-Y344 WeakPolarHBondContact CB-O 3.36Å; Y335-Y344 PolarHBondContact N-O 3.18Å; Y335-Y344 PolarHBondContact O-N 2.87Å; K342-Y344 HydrophobicContact CB-CE2 3.87Å; K342-Y344 WeakPolarHBondContact O-CE2 3.29Å; Y344-R346 PolarHBondContact O-N 3.16Å; Y344-H349 HydrophobicContact CD1-CB 3.96Å; Y344-H349 HydrophobicContact CG-CB 4.35Å; Y344-L350 HydrophobicContact CD2-CB 4.11Å; Y344-L350 HydrophobicContact CD2-CD1 4.04Å; Y344-L350 HydrophobicContact CE2-CD1 4.33Å; Y344-L350 HydrophobicContact CG-CB 4.48Å; Y344-H353 HydrophobicContact CE1-CB 4.38Å; Y344-H353 HydrophobicContact CE2-CB 3.83Å; Y344-H353 AromaticContact CE2-CD2 3.43Å; Y344-H353 VanDerWaalsContact CE2-CD2 3.43Å; Y344-H353 WeakPolarHBondContact CE2-CD2 3.4Å; Y344-H353 AromaticContact CE2-CG 3.76Å; Y344-H353 AromaticContact CZ-CD2 3.76Å; Y344-H353 AromaticContact CZ-CG 3.66Å; Y344-H353 PolarHBondContact OH-CD2 3.24Å
345	G	70.6	Confident	77.7	Confident	14 Å²	14	76.8 Å²	76.8	14%	0.144	36%	0.359	C	S	.	.	S	Bend	trans	-69.2	-17.4	171.9	0	0	0	0	0	114.1	T327 Y335	T327-G345 WeakPolarHBondContact CG2-O 3.14Å; Y335-G345 WeakPolarHBondContact CD2-O 3.09Å; Y335-G345 WeakPolarHBondContact CE2-O 3.4Å
346	R	72.9	Confident	77.4	Confident	112 Å²	112	79.4 Å²	79.4	42%	0.423	37%	0.369	S	S	.	.			trans	-138.9	137.6	-173.1	-66.2	172.2	50.4	158.3	-11	113.4	T327 Y335 Y344 D348 H349 L350	T327-R346 HydrophobicContact CG2-CG 4.01Å; Y335-R346 VanDerWaalsContact CD2-CA 3.47Å; Y344-R346 PolarHBondContact O-N 3.16Å; R346-D348 VanDerWaalsContact C-N 3.34Å; R346-D348 WeakPolarHBondContact CB-OD1 3.08Å; R346-D348 IonicContact CZ-OD1 3.78Å; R346-D348 VanDerWaalsContact CZ-OD1 3.27Å; R346-D348 IonicContact CZ-OD2 3.74Å; R346-D348 IonicContact NE-OD1 2.66Å; R346-D348 PolarHBondContact NE-OD1 2.81Å; R346-D348 IonicContact NE-OD2 3.3Å; R346-D348 IonicContact NH2-OD1 3.98Å; R346-D348 PolarHBondContact NH2-OD1 3.46Å; R346-D348 IonicContact NH2-OD2 3.66Å; R346-D348 PolarHBondContact NH2-OD2 2.82Å; R346-D348 PolarHBondContact O-N 3.09Å; R346-H349 HydrophobicContact CB-CB 4.38Å; R346-H349 WeakPolarHBondContact O-CB 3.4Å; R346-H349 PolarHBondContact O-N 2.4Å; R346-L350 PolarHBondContact O-N 2.87Å; R346-L350 VanDerWaalsContact O-N 3.1Å
347	E	71.4	Confident	77.3	Confident	81 Å²	81	75.5 Å²	75.5	38%	0.379	35%	0.353	S	S	.	.	H	α-helix	trans	-48.6	-50.4	171.7	-175.3	65.2	-114.3	0	0	112.3	Y335 H349 L350 Q351	Y335-E347 HydrophobicContact CD1-CB 3.92Å; Y335-E347 VanDerWaalsContact CD1-OE2 3.32Å; Y335-E347 WeakPolarHBondContact CD1-OE2 3.37Å; Y335-E347 VanDerWaalsContact CD2-N 3.31Å; Y335-E347 HydrophobicContact CE1-CB 3.64Å; Y335-E347 HydrophobicContact CE1-CG 4.34Å; Y335-E347 WeakPolarHBondContact CE1-OE2 3.32Å; Y335-E347 HydrophobicContact CG-CB 4.5Å; E347-H349 PolarHBondContact O-N 2.93Å; E347-H349 VanDerWaalsContact O-N 3.08Å; E347-L350 PolarHBondContact O-N 3.32Å; E347-Q351 HydrophobicContact CG-CG 4.19Å; E347-Q351 WeakPolarHBondContact O-CG 3.32Å; E347-Q351 PolarHBondContact O-N 3.24Å; E347-Q351 WeakPolarHBondContact OE1-CG 3.31Å; E347-Q351 PolarHBondContact OE1-NE2 2.8Å
348	D	73.9	Confident	76.9	Confident	77 Å²	77	78.7 Å²	78.7	41%	0.412	37%	0.372	S	S	.	.	H	α-helix	trans	-67.6	-13.4	-177.7	69.4	-71.2	0	0	0	113.6	R346 R352	R346-D348 VanDerWaalsContact C-N 3.34Å; R346-D348 WeakPolarHBondContact CB-OD1 3.08Å; R346-D348 IonicContact CZ-OD1 3.78Å; R346-D348 VanDerWaalsContact CZ-OD1 3.27Å; R346-D348 IonicContact CZ-OD2 3.74Å; R346-D348 IonicContact NE-OD1 2.66Å; R346-D348 PolarHBondContact NE-OD1 2.81Å; R346-D348 IonicContact NE-OD2 3.3Å; R346-D348 IonicContact NH2-OD1 3.98Å; R346-D348 PolarHBondContact NH2-OD1 3.46Å; R346-D348 IonicContact NH2-OD2 3.66Å; R346-D348 PolarHBondContact NH2-OD2 2.82Å; R346-D348 PolarHBondContact O-N 3.09Å; D348-R352 VanDerWaalsContact O-CB 3.28Å; D348-R352 WeakPolarHBondContact O-CB 3.31Å; D348-R352 PolarHBondContact O-N 3.31Å
349	H	79.6	Confident	76.6	Confident	55 Å²	55	74.8 Å²	74.8	26%	0.255	36%	0.36	S	S	.	.	H	α-helix	trans	-90.4	-34.9	171.7	-65.8	2.8	0	0	0	111.9	Y344 R346 E347 R352 H353	Y344-H349 HydrophobicContact CD1-CB 3.96Å; Y344-H349 HydrophobicContact CG-CB 4.35Å; R346-H349 HydrophobicContact CB-CB 4.38Å; R346-H349 WeakPolarHBondContact O-CB 3.4Å; R346-H349 PolarHBondContact O-N 2.4Å; E347-H349 PolarHBondContact O-N 2.93Å; E347-H349 VanDerWaalsContact O-N 3.08Å; H349-R352 PolarHBondContact O-N 2.86Å; H349-H353 WeakPolarHBondContact O-CB 3.46Å; H349-H353 PolarHBondContact O-N 3.12Å
350	L	79.2	Confident	76.4	Confident	18 Å²	18	74.4 Å²	74.4	9%	0.094	36%	0.358	C	S	.	.	H	α-helix	trans	-63.1	-52.9	167.6	175.1	60.6	0	0	0	110.7	K336 C337 Y344 R346 E347 R352 H353 M354	K336-L350 WeakPolarHBondContact O-CD2 3.28Å; C337-L350 HydrophobicContact CB-CD1 3.81Å; Y344-L350 HydrophobicContact CD2-CB 4.11Å; Y344-L350 HydrophobicContact CD2-CD1 4.04Å; Y344-L350 HydrophobicContact CE2-CD1 4.33Å; Y344-L350 HydrophobicContact CG-CB 4.48Å; R346-L350 PolarHBondContact O-N 2.87Å; R346-L350 VanDerWaalsContact O-N 3.1Å; E347-L350 PolarHBondContact O-N 3.32Å; L350-R352 PolarHBondContact O-N 3.12Å; L350-R352 VanDerWaalsContact O-N 3.13Å; L350-H353 CarbonylContact O-C 3.59Å; L350-H353 VanDerWaalsContact O-CA 3.32Å; L350-H353 WeakPolarHBondContact O-CA 3.5Å; L350-H353 WeakPolarHBondContact O-CB 3.48Å; L350-H353 PolarHBondContact O-N 2.85Å; L350-M354 HydrophobicContact CD1-CG 4.25Å; L350-M354 HydrophobicContact CD1-SD 3.98Å; L350-M354 HydrophobicContact CG-CG 4.37Å; L350-M354 WeakPolarHBondContact O-CG 3.33Å; L350-M354 PolarHBondContact O-N 2.93Å
351	Q	78.2	Confident	76.2	Confident	107 Å²	107	78.4 Å²	78.4	50%	0.5	37%	0.372	S	S	.	.	H	α-helix	trans	-57.3	-30.7	177	-64.4	-62.1	-32.6	0	0	112.8	E347	E347-Q351 HydrophobicContact CG-CG 4.19Å; E347-Q351 WeakPolarHBondContact O-CG 3.32Å; E347-Q351 PolarHBondContact O-N 3.24Å; E347-Q351 WeakPolarHBondContact OE1-CG 3.31Å; E347-Q351 PolarHBondContact OE1-NE2 2.8Å
352	R	79.7	Confident	76.2	Confident	127 Å²	127	72.6 Å²	72.6	48%	0.479	35%	0.351	S	S	.	.	H	α-helix	trans	-72	-36.7	171.2	-172.4	178.2	61.2	-173.9	-6.7	112.2	D348 H349 L350 M374	D348-R352 VanDerWaalsContact O-CB 3.28Å; D348-R352 WeakPolarHBondContact O-CB 3.31Å; D348-R352 PolarHBondContact O-N 3.31Å; H349-R352 PolarHBondContact O-N 2.86Å; L350-R352 PolarHBondContact O-N 3.12Å; L350-R352 VanDerWaalsContact O-N 3.13Å; R352-M374 HydrophobicContact CB-CE 4.38Å; R352-M374 HydrophobicContact CG-CE 3.43Å; R352-M374 VanDerWaalsContact CG-CE 3.43Å; R352-M374 HydrophobicContact CG-SD 3.54Å; R352-M374 VanDerWaalsContact CG-SD 3.54Å; R352-M374 WeakPolarHBondContact O-CE 3.21Å
353	H	82	Confident	76.5	Confident	15 Å²	15	69.7 Å²	69.7	7%	0.069	34%	0.339	C	S	.	.	H	α-helix	trans	-71.4	-36.8	175.5	172.1	46	0	0	0	113.1	C340 Y344 H349 L350 K355 Y356 H357	C340-H353 PolarHBondContact SG-NE2 3.21Å; Y344-H353 HydrophobicContact CE1-CB 4.38Å; Y344-H353 HydrophobicContact CE2-CB 3.83Å; Y344-H353 AromaticContact CE2-CD2 3.43Å; Y344-H353 VanDerWaalsContact CE2-CD2 3.43Å; Y344-H353 WeakPolarHBondContact CE2-CD2 3.4Å; Y344-H353 AromaticContact CE2-CG 3.76Å; Y344-H353 AromaticContact CZ-CD2 3.76Å; Y344-H353 AromaticContact CZ-CG 3.66Å; Y344-H353 PolarHBondContact OH-CD2 3.24Å; H349-H353 WeakPolarHBondContact O-CB 3.46Å; H349-H353 PolarHBondContact O-N 3.12Å; L350-H353 CarbonylContact O-C 3.59Å; L350-H353 VanDerWaalsContact O-CA 3.32Å; L350-H353 WeakPolarHBondContact O-CA 3.5Å; L350-H353 WeakPolarHBondContact O-CB 3.48Å; L350-H353 PolarHBondContact O-N 2.85Å; H353-K355 PolarHBondContact O-N 3.18Å; H353-Y356 VanDerWaalsContact O-CB 3.29Å; H353-Y356 WeakPolarHBondContact O-CB 3.36Å; H353-Y356 WeakPolarHBondContact O-CD2 3.24Å; H353-Y356 PolarHBondContact O-N 3.27Å; H353-H357 AromaticContact CD2-NE2 3.42Å; H353-H357 PolarHBondContact CD2-NE2 3.41Å; H353-H357 AromaticContact CE1-CD2 3.97Å; H353-H357 AromaticContact CE1-NE2 3Å; H353-H357 PolarHBondContact CE1-NE2 3.24Å; H353-H357 AromaticContact NE2-CD2 3.82Å; H353-H357 AromaticContact NE2-NE2 2.41Å; H353-H357 PolarHBondContact NE2-NE2 2.96Å
354	M	77.7	Confident	76.6	Confident	38 Å²	38	74.6 Å²	74.6	19%	0.187	36%	0.356	C	S	.	.	H	α-helix	trans	-55.5	-29.8	179.7	-64.1	-59.7	-76.7	0	0	113.2	D338 L350 Y356 H357 T358	D338-M354 WeakPolarHBondContact OD1-CE 3.41Å; L350-M354 HydrophobicContact CD1-CG 4.25Å; L350-M354 HydrophobicContact CD1-SD 3.98Å; L350-M354 HydrophobicContact CG-CG 4.37Å; L350-M354 WeakPolarHBondContact O-CG 3.33Å; L350-M354 PolarHBondContact O-N 2.93Å; M354-Y356 PolarHBondContact O-N 3.32Å; M354-Y356 VanDerWaalsContact O-N 3.16Å; M354-H357 PolarHBondContact O-N 3.41Å; M354-T358 PolarHBondContact O-N 2.89Å
355	K	80.3	Confident	76.8	Confident	63 Å²	63	72 Å²	72	27%	0.274	35%	0.347	S	S	.	.	H	α-helix	trans	-65.2	-11.3	173.8	-62.1	-174	176.3	-91.2	0	114.9	H353 E360 Q373 M374	H353-K355 PolarHBondContact O-N 3.18Å; K355-E360 IonicContact NZ-OE2 3.76Å; K355-E360 PolarHBondContact NZ-OE2 3.3Å; K355-Q373 PolarHBondContact O-NE2 2.85Å; K355-M374 HydrophobicContact CB-CE 3.9Å; K355-M374 HydrophobicContact CD-CE 3.77Å; K355-M374 HydrophobicContact CG-CE 4.3Å
356	Y	73.8	Confident	77.1	Confident	123 Å²	123	80.1 Å²	80.1	48%	0.482	38%	0.38	S	S	.	.	H	α-helix	trans	-77.3	-36.7	169.5	-72.6	-103.9	0	0	0	111.4	H353 M354 Q373 M374	H353-Y356 VanDerWaalsContact O-CB 3.29Å; H353-Y356 WeakPolarHBondContact O-CB 3.36Å; H353-Y356 WeakPolarHBondContact O-CD2 3.24Å; H353-Y356 PolarHBondContact O-N 3.27Å; M354-Y356 PolarHBondContact O-N 3.32Å; M354-Y356 VanDerWaalsContact O-N 3.16Å; Y356-Q373 VanDerWaalsContact CE1-OE1 3.31Å; Y356-M374 HydrophobicContact CE2-CE 4.43Å
357	H	76.3	Confident	77.2	Confident	73 Å²	73	80.9 Å²	80.9	34%	0.338	39%	0.389	S	S	.	.	H	α-helix	trans	-80.3	-44.7	178.8	-60.3	-62.8	0	0	0	112.2	C337 Q339 C340 H353 M354 G359	C337-H357 PolarHBondContact SG-NE2 3.47Å; Q339-H357 VanDerWaalsContact C-CE1 3.48Å; Q339-H357 HydrophobicContact CB-CB 4.45Å; Q339-H357 PolarHBondContact O-CE1 3.49Å; C340-H357 WeakPolarHBondContact CB-CE1 3.24Å; C340-H357 PolarHBondContact SG-CE1 3.48Å; C340-H357 PolarHBondContact SG-NE2 2.68Å; H353-H357 AromaticContact CD2-NE2 3.42Å; H353-H357 PolarHBondContact CD2-NE2 3.41Å; H353-H357 AromaticContact CE1-CD2 3.97Å; H353-H357 AromaticContact CE1-NE2 3Å; H353-H357 PolarHBondContact CE1-NE2 3.24Å; H353-H357 AromaticContact NE2-CD2 3.82Å; H353-H357 AromaticContact NE2-NE2 2.41Å; H353-H357 PolarHBondContact NE2-NE2 2.96Å; M354-H357 PolarHBondContact O-N 3.41Å; H357-G359 PolarHBondContact O-N 3.45Å; H357-G359 VanDerWaalsContact O-N 3.12Å
358	T	74.2	Confident	77.5	Confident	82 Å²	82	79.4 Å²	79.4	50%	0.503	39%	0.387	S	S	.	.	S	Bend	trans	-70.4	-6.4	177.4	65.3	0	0	0	0	113.9	M354 E360	M354-T358 PolarHBondContact O-N 2.89Å; T358-E360 PolarHBondContact O-N 2.97Å; T358-E360 WeakPolarHBondContact OG1-CG 3.16Å
359	G	72.4	Confident	77.7	Confident	39 Å²	39	77.5 Å²	77.5	40%	0.402	39%	0.385	S	S	.	.			trans	67	-3.2	-178.5	0	0	0	0	0	115.5	H357 K361	H357-G359 PolarHBondContact O-N 3.45Å; H357-G359 VanDerWaalsContact O-N 3.12Å; G359-K361 WeakPolarHBondContact O-CG 3.31Å; G359-K361 PolarHBondContact O-N 3.42Å
360	E	72.7	Confident	77.5	Confident	94 Å²	94	81.1 Å²	81.1	44%	0.439	40%	0.4	S	S	.	.			trans	-51.8	123.1	-175.8	-82.9	-174.1	-173.6	0	0	112.3	K355 T358 P362 Q373	K355-E360 IonicContact NZ-OE2 3.76Å; K355-E360 PolarHBondContact NZ-OE2 3.3Å; T358-E360 PolarHBondContact O-N 2.97Å; T358-E360 WeakPolarHBondContact OG1-CG 3.16Å; E360-P362 HydrophobicContact CB-CG 4.47Å; E360-P362 WeakPolarHBondContact O-CD 3.45Å; E360-Q373 WeakPolarHBondContact O-CA 3.21Å; E360-Q373 WeakPolarHBondContact O-CG 3.39Å
361	K	77.9	Confident	77.6	Confident	121 Å²	121	82.6 Å²	82.6	53%	0.526	41%	0.412	S	S	.	.			trans	-123.6	71.6	175.8	-72.7	157.6	-179.1	170.3	0	111.2	G359 H363 S371 F372 Q373	G359-K361 WeakPolarHBondContact O-CG 3.31Å; G359-K361 PolarHBondContact O-N 3.42Å; K361-H363 PolarHBondContact O-N 3.38Å; K361-H363 VanDerWaalsContact O-N 3.17Å; K361-S371 WeakPolarHBondContact CD-O 2.97Å; K361-S371 WeakPolarHBondContact O-CB 3.35Å; K361-F372 CarbonylContact C-O 3.55Å; K361-F372 VanDerWaalsContact C-O 3.25Å; K361-F372 WeakPolarHBondContact CA-O 3.36Å; K361-Q373 HydrophobicContact CG-CG 4.02Å
362	P	77.4	Confident	77.7	Confident	75 Å²	75	79.6 Å²	79.6	49%	0.487	40%	0.397	S	S	.	.			trans	-70.5	-12	-172	-17.3	32.8	0	0	0	114.3	E360	E360-P362 HydrophobicContact CB-CG 4.47Å; E360-P362 WeakPolarHBondContact O-CD 3.45Å
363	H	80.1	Confident	77.5	Confident	62 Å²	62	75 Å²	75	29%	0.287	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	82.8	-173.2	-58.4	-62.5	0	0	0	110.6	K361 F372 R375 L378	K361-H363 PolarHBondContact O-N 3.38Å; K361-H363 VanDerWaalsContact O-N 3.17Å; H363-F372 HydrophobicContact CB-CB 4.4Å; H363-F372 WeakPolarHBondContact CB-O 3.25Å; H363-F372 PolarHBondContact N-O 3.3Å; H363-F372 PolarHBondContact O-N 3.13Å; H363-R375 PolarHBondContact CD2-N 3.42Å; H363-R375 PolarHBondContact NE2-N 3.06Å; H363-L378 HydrophobicContact CB-CB 4.08Å; H363-L378 HydrophobicContact CB-CD2 3.87Å
364	K	80.4	Confident	77.3	Confident	136 Å²	136	75.6 Å²	75.6	59%	0.591	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	140	174.5	-169.5	174.3	-179.5	-176.4	0	111.1	L378	K364-L378 WeakPolarHBondContact O-CD2 3.47Å
365	C	81.4	Confident	77.2	Confident	1 Å²	1	82.1 Å²	82.1	1%	0.007	41%	0.407	C	S	.	.			trans	-88.5	124.2	169	-173.5	0	0	0	0	109.9	G369 K370 F372 L378 H385	C365-G369 VanDerWaalsContact O-CA 3.26Å; C365-G369 WeakPolarHBondContact O-CA 3.16Å; C365-G369 PolarHBondContact O-N 3.46Å; C365-K370 WeakPolarHBondContact CB-O 3.36Å; C365-K370 PolarHBondContact N-O 2.63Å; C365-F372 HydrophobicContact CB-CE2 4.29Å; C365-L378 HydrophobicContact CB-CD1 3.56Å; C365-H385 PolarHBondContact SG-NE2 3.31Å; C365-H385 VanDerWaalsContact SG-NE2 3.4Å
366	E	78.7	Confident	76.8	Confident	183 Å²	183	83.5 Å²	83.5	86%	0.855	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-42.5	-177.6	-70.1	162.4	179.3	0	0	111.6	C368	E366-C368 VanDerWaalsContact C-N 3.27Å; E366-C368 PolarHBondContact O-N 3.21Å; E366-C368 VanDerWaalsContact O-N 3.15Å
367	H	74.9	Confident	76.8	Confident	128 Å²	128	81.2 Å²	81.2	59%	0.593	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.8	-178.1	-56	-62	0	0	0	116.2	H385	H367-H385 HydrophobicContact CB-CB 4.43Å; H367-H385 AromaticContact CD2-CD2 3.95Å
368	C	77.7	Confident	76.9	Confident	50 Å²	50	78.8 Å²	78.8	34%	0.338	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.4	9.4	-173.3	72.6	0	0	0	0	115.3	E366 K370 H381 H385	E366-C368 VanDerWaalsContact C-N 3.27Å; E366-C368 PolarHBondContact O-N 3.21Å; E366-C368 VanDerWaalsContact O-N 3.15Å; C368-K370 PolarHBondContact O-N 3.28Å; C368-H381 PolarHBondContact SG-NE2 3.04Å; C368-H385 VanDerWaalsContact SG-CE1 3.57Å; C368-H385 PolarHBondContact SG-NE2 2.66Å; C368-H385 VanDerWaalsContact SG-NE2 3.38Å
369	G	76.6	Confident	77	Confident	37 Å²	37	81.5 Å²	81.5	38%	0.381	40%	0.404	S	S	.	.			trans	68.7	-11.5	179.8	0	0	0	0	0	117	C365 S371	C365-G369 VanDerWaalsContact O-CA 3.26Å; C365-G369 WeakPolarHBondContact O-CA 3.16Å; C365-G369 PolarHBondContact O-N 3.46Å; G369-S371 PolarHBondContact O-N 3.23Å; G369-S371 PolarHBondContact O-OG 3.12Å
370	K	75.7	Confident	76.8	Confident	131 Å²	131	81.6 Å²	81.6	57%	0.57	40%	0.399	S	S	*	.			trans	-64.3	128.1	-175.9	-67.7	178.2	-178.5	175.7	0	111.6	C365 C368 F372	C365-K370 WeakPolarHBondContact CB-O 3.36Å; C365-K370 PolarHBondContact N-O 2.63Å; C368-K370 PolarHBondContact O-N 3.28Å; K370-F372 HydrophobicContact CB-CE2 3.9Å; K370-F372 HydrophobicContact CB-CZ 4.1Å; K370-F372 WeakPolarHBondContact O-CD2 3.41Å; K370-F372 VanDerWaalsContact O-CE2 3.27Å; K370-F372 WeakPolarHBondContact O-CE2 3.36Å
371	S	81	Confident	76.9	Confident	49 Å²	49	78.4 Å²	78.4	34%	0.343	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	139.8	-177	-55.4	0	0	0	0	113.2	K361 G369	K361-S371 WeakPolarHBondContact CD-O 2.97Å; K361-S371 WeakPolarHBondContact O-CB 3.35Å; G369-S371 PolarHBondContact O-N 3.23Å; G369-S371 PolarHBondContact O-OG 3.12Å
372	F	80.1	Confident	76.7	Confident	44 Å²	44	75.1 Å²	75.1	19%	0.193	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	147.2	-173.8	-60.5	-91.1	0	0	0	112	K361 H363 C365 K370 M374 L377 L378 H381	K361-F372 CarbonylContact C-O 3.55Å; K361-F372 VanDerWaalsContact C-O 3.25Å; K361-F372 WeakPolarHBondContact CA-O 3.36Å; H363-F372 HydrophobicContact CB-CB 4.4Å; H363-F372 WeakPolarHBondContact CB-O 3.25Å; H363-F372 PolarHBondContact N-O 3.3Å; H363-F372 PolarHBondContact O-N 3.13Å; C365-F372 HydrophobicContact CB-CE2 4.29Å; K370-F372 HydrophobicContact CB-CE2 3.9Å; K370-F372 HydrophobicContact CB-CZ 4.1Å; K370-F372 WeakPolarHBondContact O-CD2 3.41Å; K370-F372 VanDerWaalsContact O-CE2 3.27Å; K370-F372 WeakPolarHBondContact O-CE2 3.36Å; F372-M374 VanDerWaalsContact C-N 3.28Å; F372-M374 PolarHBondContact O-N 2.81Å; F372-L377 HydrophobicContact CB-CB 4.19Å; F372-L377 HydrophobicContact CD1-CB 3.98Å; F372-L377 HydrophobicContact CG-CB 4.38Å; F372-L378 HydrophobicContact CB-CB 4.31Å; F372-L378 HydrophobicContact CD2-CB 4.07Å; F372-L378 HydrophobicContact CD2-CD1 3.89Å; F372-L378 HydrophobicContact CE2-CD1 4.13Å; F372-L378 HydrophobicContact CG-CB 4.34Å; F372-H381 HydrophobicContact CE1-CB 3.99Å; F372-H381 HydrophobicContact CE2-CB 3.9Å; F372-H381 AromaticContact CE2-CD2 3.31Å; F372-H381 WeakPolarHBondContact CE2-CD2 3.4Å; F372-H381 AromaticContact CE2-CG 3.7Å; F372-H381 HydrophobicContact CZ-CB 3.5Å; F372-H381 VanDerWaalsContact CZ-CB 3.5Å; F372-H381 AromaticContact CZ-CD2 3.35Å; F372-H381 WeakPolarHBondContact CZ-CD2 3.38Å; F372-H381 AromaticContact CZ-CG 3.29Å
373	Q	76.8	Confident	76.3	Confident	31 Å²	31	74 Å²	74	15%	0.145	36%	0.36	C	S	.	.	S	Bend	trans	-66.7	-28.1	176	-72.7	154.6	-22.1	0	0	112.9	K355 Y356 E360 K361	K355-Q373 PolarHBondContact O-NE2 2.85Å; Y356-Q373 VanDerWaalsContact CE1-OE1 3.31Å; E360-Q373 WeakPolarHBondContact O-CA 3.21Å; E360-Q373 WeakPolarHBondContact O-CG 3.39Å; K361-Q373 HydrophobicContact CG-CG 4.02Å
374	M	77.5	Confident	75.7	Confident	28 Å²	28	75.1 Å²	75.1	14%	0.138	37%	0.371	C	S	.	.	S	Bend	trans	-133.8	141.5	-171.6	-56.6	-61	151.7	0	0	112.3	R352 K355 Y356 F372 D376 L377 L378	R352-M374 HydrophobicContact CB-CE 4.38Å; R352-M374 HydrophobicContact CG-CE 3.43Å; R352-M374 VanDerWaalsContact CG-CE 3.43Å; R352-M374 HydrophobicContact CG-SD 3.54Å; R352-M374 VanDerWaalsContact CG-SD 3.54Å; R352-M374 WeakPolarHBondContact O-CE 3.21Å; K355-M374 HydrophobicContact CB-CE 3.9Å; K355-M374 HydrophobicContact CD-CE 3.77Å; K355-M374 HydrophobicContact CG-CE 4.3Å; Y356-M374 HydrophobicContact CE2-CE 4.43Å; F372-M374 VanDerWaalsContact C-N 3.28Å; F372-M374 PolarHBondContact O-N 2.81Å; M374-D376 PolarHBondContact O-N 2.84Å; M374-L377 HydrophobicContact CB-CB 4.34Å; M374-L377 HydrophobicContact CB-CD1 4Å; M374-L377 HydrophobicContact CB-CG 4.03Å; M374-L377 HydrophobicContact CG-CD1 4.13Å; M374-L377 WeakPolarHBondContact O-CB 3.41Å; M374-L377 PolarHBondContact O-N 3.22Å; M374-L377 VanDerWaalsContact O-N 3.15Å; M374-L378 PolarHBondContact O-N 2.41Å; M374-L378 VanDerWaalsContact O-N 3.11Å
375	R	74.4	Confident	75.2	Confident	174 Å²	174	71.9 Å²	71.9	66%	0.657	36%	0.358	S	S	*	.	H	α-helix	trans	-60.2	-32.7	177.7	-168.5	178.2	-174.5	-175	3.5	112.9	H363 L378 R379	H363-R375 PolarHBondContact CD2-N 3.42Å; H363-R375 PolarHBondContact NE2-N 3.06Å; R375-L378 PolarHBondContact O-N 3Å; R375-R379 PolarHBondContact O-N 3.23Å
376	D	73.6	Confident	74.4	Confident	93 Å²	93	80.4 Å²	80.4	50%	0.497	39%	0.39	S	S	.	.	H	α-helix	trans	-76.2	-26	179.7	-52.5	-63.1	0	0	0	112.8	M374 R379 S380	M374-D376 PolarHBondContact O-N 2.84Å; D376-R379 IonicContact OD1-CZ 3.39Å; D376-R379 IonicContact OD1-NH1 3.46Å; D376-R379 PolarHBondContact OD1-NH1 3.32Å; D376-R379 IonicContact OD1-NH2 3.45Å; D376-R379 PolarHBondContact OD1-NH2 2.85Å; D376-S380 WeakPolarHBondContact O-CB 3.34Å; D376-S380 PolarHBondContact O-N 2.76Å; D376-S380 PolarHBondContact O-OG 3.46Å
377	L	73.9	Confident	73.4	Confident	74 Å²	74	79.5 Å²	79.5	39%	0.387	39%	0.386	S	S	.	.	H	α-helix	trans	-71.9	-42.1	169	-66.3	174.3	0	0	0	110.5	F372 M374 S380 H381	F372-L377 HydrophobicContact CB-CB 4.19Å; F372-L377 HydrophobicContact CD1-CB 3.98Å; F372-L377 HydrophobicContact CG-CB 4.38Å; M374-L377 HydrophobicContact CB-CB 4.34Å; M374-L377 HydrophobicContact CB-CD1 4Å; M374-L377 HydrophobicContact CB-CG 4.03Å; M374-L377 HydrophobicContact CG-CD1 4.13Å; M374-L377 WeakPolarHBondContact O-CB 3.41Å; M374-L377 PolarHBondContact O-N 3.22Å; M374-L377 VanDerWaalsContact O-N 3.15Å; L377-S380 WeakPolarHBondContact O-CB 3.39Å; L377-S380 PolarHBondContact O-N 2.58Å; L377-H381 WeakPolarHBondContact O-CB 3.35Å; L377-H381 PolarHBondContact O-N 2.97Å
378	L	78.1	Confident	72.8	Confident	23 Å²	23	78 Å²	78	12%	0.12	39%	0.386	C	S	.	.	H	α-helix	trans	-60.7	-44.9	170.6	175.3	60.8	0	0	0	111.3	H363 K364 C365 F372 M374 R375 S380 H381 L382	H363-L378 HydrophobicContact CB-CB 4.08Å; H363-L378 HydrophobicContact CB-CD2 3.87Å; K364-L378 WeakPolarHBondContact O-CD2 3.47Å; C365-L378 HydrophobicContact CB-CD1 3.56Å; F372-L378 HydrophobicContact CB-CB 4.31Å; F372-L378 HydrophobicContact CD2-CB 4.07Å; F372-L378 HydrophobicContact CD2-CD1 3.89Å; F372-L378 HydrophobicContact CE2-CD1 4.13Å; F372-L378 HydrophobicContact CG-CB 4.34Å; M374-L378 PolarHBondContact O-N 2.41Å; M374-L378 VanDerWaalsContact O-N 3.11Å; R375-L378 PolarHBondContact O-N 3Å; L378-S380 VanDerWaalsContact C-N 3.33Å; L378-S380 PolarHBondContact O-N 3.01Å; L378-H381 WeakPolarHBondContact O-CB 2.9Å; L378-H381 PolarHBondContact O-N 3.43Å; L378-H381 VanDerWaalsContact O-N 3.1Å; L378-L382 HydrophobicContact CD1-CD1 4.33Å; L378-L382 HydrophobicContact CD1-CD2 4.41Å; L378-L382 HydrophobicContact CD1-CG 4.07Å; L378-L382 HydrophobicContact CG-CD1 4.13Å; L378-L382 HydrophobicContact CG-CG 4.35Å; L378-L382 WeakPolarHBondContact O-CG 3.28Å; L378-L382 PolarHBondContact O-N 2.77Å
379	R	75.5	Confident	72.4	Confident	138 Å²	138	81.1 Å²	81.1	52%	0.521	39%	0.393	S	S	.	.	H	α-helix	trans	-58.3	-45.9	176	-168	-170.1	-63	113.3	4.9	111.3	R375 D376 H381 L382	R375-R379 PolarHBondContact O-N 3.23Å; D376-R379 IonicContact OD1-CZ 3.39Å; D376-R379 IonicContact OD1-NH1 3.46Å; D376-R379 PolarHBondContact OD1-NH1 3.32Å; D376-R379 IonicContact OD1-NH2 3.45Å; D376-R379 PolarHBondContact OD1-NH2 2.85Å; R379-H381 VanDerWaalsContact C-N 3.29Å; R379-H381 PolarHBondContact O-N 2.81Å; R379-L382 PolarHBondContact O-N 3.01Å
380	S	67.5	Low	72.1	Confident	42 Å²	42	82.5 Å²	82.5	29%	0.294	40%	0.396	S	S	.	.	H	α-helix	trans	-59.3	-39.5	175	-57.9	0	0	0	0	112.2	D376 L377 L378 M383	D376-S380 WeakPolarHBondContact O-CB 3.34Å; D376-S380 PolarHBondContact O-N 2.76Å; D376-S380 PolarHBondContact O-OG 3.46Å; L377-S380 WeakPolarHBondContact O-CB 3.39Å; L377-S380 PolarHBondContact O-N 2.58Å; L378-S380 VanDerWaalsContact C-N 3.33Å; L378-S380 PolarHBondContact O-N 3.01Å; S380-M383 WeakPolarHBondContact O-CB 3.48Å
381	H	76.1	Confident	72	Confident	26 Å²	26	80.3 Å²	80.3	12%	0.12	38%	0.384	C	S	.	.	H	α-helix	trans	-71.3	-36.5	177.7	177.3	51	0	0	0	113.5	C368 F372 L377 L378 R379 M383 V384 H385	C368-H381 PolarHBondContact SG-NE2 3.04Å; F372-H381 HydrophobicContact CE1-CB 3.99Å; F372-H381 HydrophobicContact CE2-CB 3.9Å; F372-H381 AromaticContact CE2-CD2 3.31Å; F372-H381 WeakPolarHBondContact CE2-CD2 3.4Å; F372-H381 AromaticContact CE2-CG 3.7Å; F372-H381 HydrophobicContact CZ-CB 3.5Å; F372-H381 VanDerWaalsContact CZ-CB 3.5Å; F372-H381 AromaticContact CZ-CD2 3.35Å; F372-H381 WeakPolarHBondContact CZ-CD2 3.38Å; F372-H381 AromaticContact CZ-CG 3.29Å; L377-H381 WeakPolarHBondContact O-CB 3.35Å; L377-H381 PolarHBondContact O-N 2.97Å; L378-H381 WeakPolarHBondContact O-CB 2.9Å; L378-H381 PolarHBondContact O-N 3.43Å; L378-H381 VanDerWaalsContact O-N 3.1Å; R379-H381 VanDerWaalsContact C-N 3.29Å; R379-H381 PolarHBondContact O-N 2.81Å; H381-M383 PolarHBondContact O-N 2.91Å; H381-M383 VanDerWaalsContact O-N 3.14Å; H381-V384 VanDerWaalsContact O-CB 3.25Å; H381-V384 WeakPolarHBondContact O-CB 2.99Å; H381-V384 WeakPolarHBondContact O-CG2 3.46Å; H381-V384 PolarHBondContact O-N 3.27Å; H381-H385 AromaticContact CD2-NE2 3.73Å; H381-H385 AromaticContact CE1-CE1 3.9Å; H381-H385 AromaticContact CE1-NE2 3.4Å; H381-H385 PolarHBondContact CE1-NE2 3.25Å; H381-H385 AromaticContact NE2-CD2 3.92Å; H381-H385 AromaticContact NE2-CE1 3.75Å; H381-H385 AromaticContact NE2-NE2 2.96Å; H381-H385 PolarHBondContact NE2-NE2 3.22Å
382	L	73.1	Confident	71.7	Confident	53 Å²	53	81.5 Å²	81.5	28%	0.277	39%	0.39	S	S	.	.	H	α-helix	trans	-61.1	-22.2	177.6	-71.9	168.8	0	0	0	112.9	L378 R379 V384 H385 R386	L378-L382 HydrophobicContact CD1-CD1 4.33Å; L378-L382 HydrophobicContact CD1-CD2 4.41Å; L378-L382 HydrophobicContact CD1-CG 4.07Å; L378-L382 HydrophobicContact CG-CD1 4.13Å; L378-L382 HydrophobicContact CG-CG 4.35Å; L378-L382 WeakPolarHBondContact O-CG 3.28Å; L378-L382 PolarHBondContact O-N 2.77Å; R379-L382 PolarHBondContact O-N 3.01Å; L382-V384 PolarHBondContact O-N 3.13Å; L382-H385 PolarHBondContact O-N 2.98Å; L382-R386 PolarHBondContact O-N 3.45Å
383	M	70.1	Confident	71.6	Confident	50 Å²	50	79.5 Å²	79.5	25%	0.246	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.7	171.3	-52.3	-56.5	-68.7	0	0	113	S380 H381 P390 T401	S380-M383 WeakPolarHBondContact O-CB 3.48Å; H381-M383 PolarHBondContact O-N 2.91Å; H381-M383 VanDerWaalsContact O-N 3.14Å; M383-P390 HydrophobicContact CE-CG 3.51Å; M383-T401 HydrophobicContact CB-CG2 3.89Å
384	V	66.9	Low	71.6	Confident	87 Å²	87	84.7 Å²	84.7	53%	0.527	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-35.2	176.4	-176.4	0	0	0	0	111.3	H381 L382	H381-V384 VanDerWaalsContact O-CB 3.25Å; H381-V384 WeakPolarHBondContact O-CB 2.99Å; H381-V384 WeakPolarHBondContact O-CG2 3.46Å; H381-V384 PolarHBondContact O-N 3.27Å; L382-V384 PolarHBondContact O-N 3.13Å
385	H	69.1	Low	71.5	Confident	67 Å²	67	90 Å²	90	31%	0.31	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-10.3	-179.9	-57.6	-58.7	0	0	0	114.1	C365 H367 C368 H381 L382	C365-H385 PolarHBondContact SG-NE2 3.31Å; C365-H385 VanDerWaalsContact SG-NE2 3.4Å; H367-H385 HydrophobicContact CB-CB 4.43Å; H367-H385 AromaticContact CD2-CD2 3.95Å; C368-H385 VanDerWaalsContact SG-CE1 3.57Å; C368-H385 PolarHBondContact SG-NE2 2.66Å; C368-H385 VanDerWaalsContact SG-NE2 3.38Å; H381-H385 AromaticContact CD2-NE2 3.73Å; H381-H385 AromaticContact CE1-CE1 3.9Å; H381-H385 AromaticContact CE1-NE2 3.4Å; H381-H385 PolarHBondContact CE1-NE2 3.25Å; H381-H385 AromaticContact NE2-CD2 3.92Å; H381-H385 AromaticContact NE2-CE1 3.75Å; H381-H385 AromaticContact NE2-NE2 2.96Å; H381-H385 PolarHBondContact NE2-NE2 3.22Å; L382-H385 PolarHBondContact O-N 2.98Å
386	R	65.6	Low	71.6	Confident	180 Å²	180	84 Å²	84	68%	0.679	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-6.3	-176.2	-75.7	-173.9	167.3	-140.1	-8	114.1	L382 V388	L382-R386 PolarHBondContact O-N 3.45Å; R386-V388 PolarHBondContact O-N 3.49Å
387	E	57.7	Low	71.4	Confident	165 Å²	165	82.6 Å²	82.6	77%	0.771	43%	0.426	S	S	*	.			trans	56.3	-23.5	-172.7	-55.7	-153.9	139.4	0	0	117.1	K389	E387-K389 PolarHBondContact O-N 3.1Å
388	V	62.9	Low	71.3	Confident	96 Å²	96	85 Å²	85	58%	0.582	43%	0.433	S	S	*	.			trans	-56.3	98.1	170.2	-178.6	0	0	0	0	109.8	R386 P390	R386-V388 PolarHBondContact O-N 3.49Å; V388-P390 HydrophobicContact CG1-CG 4.42Å; V388-P390 VanDerWaalsContact O-CD 3.25Å; V388-P390 WeakPolarHBondContact O-CD 3.42Å
389	K	69.1	Low	70.9	Confident	115 Å²	115	84.8 Å²	84.8	50%	0.5	44%	0.437	S	S	.	.			trans	-88.8	97.3	169.6	-74.6	147.2	172.5	169.7	0	107.7	E387 Y391 G399 F400 T401	E387-K389 PolarHBondContact O-N 3.1Å; K389-Y391 PolarHBondContact O-N 3.24Å; K389-G399 WeakPolarHBondContact CD-O 3.44Å; K389-G399 WeakPolarHBondContact CG-O 3.36Å; K389-F400 CarbonylContact C-O 3.49Å; K389-F400 WeakPolarHBondContact CA-O 3.33Å; K389-T401 HydrophobicContact CG-CG2 4.37Å
390	P	69.1	Low	70.9	Confident	66 Å²	66	80.4 Å²	80.4	43%	0.429	42%	0.422	S	S	.	.	S	Bend	trans	-74.5	-1.4	-167.8	-12.5	29.5	0	0	0	114.2	M383 V388 F400	M383-P390 HydrophobicContact CE-CG 3.51Å; V388-P390 HydrophobicContact CG1-CG 4.42Å; V388-P390 VanDerWaalsContact O-CD 3.25Å; V388-P390 WeakPolarHBondContact O-CD 3.42Å; P390-F400 VanDerWaalsContact CD-O 3.29Å; P390-F400 WeakPolarHBondContact CD-O 3.38Å
391	Y	75	Confident	70.9	Confident	85 Å²	85	80.3 Å²	80.3	33%	0.333	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	89.5	-177.5	-52.6	-82.1	0	0	0	108.3	K389 F400 K403	K389-Y391 PolarHBondContact O-N 3.24Å; Y391-F400 PolarHBondContact N-O 3.07Å; Y391-F400 PolarHBondContact O-N 3.04Å; Y391-K403 HydrophobicContact CD1-CB 4.07Å; Y391-K403 HydrophobicContact CD1-CG 4.1Å; Y391-K403 HydrophobicContact CD2-CB 4.49Å; Y391-K403 HydrophobicContact CE1-CB 3.64Å; Y391-K403 HydrophobicContact CE1-CD 4Å; Y391-K403 HydrophobicContact CE1-CG 3.83Å; Y391-K403 HydrophobicContact CE2-CB 4.11Å; Y391-K403 HydrophobicContact CG-CB 4.48Å
392	T	73.5	Confident	70.6	Confident	75 Å²	75	82.3 Å²	82.3	46%	0.46	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	138.9	174.2	44.2	0	0	0	0	110.5	Y406	T392-Y406 VanDerWaalsContact O-CE2 3.23Å; T392-Y406 WeakPolarHBondContact O-CE2 3.34Å
393	C	77.7	Confident	70.6	Confident	1 Å²	1	85.7 Å²	85.7	1%	0.007	44%	0.444	C	S	.	.			trans	-92.8	108.5	168.9	178.1	0	0	0	0	110	Q395 C396 G397 K398 F400 Y406 M410 H413	C393-Q395 PolarHBondContact O-N 3.48Å; C393-C396 PolarHBondContact O-N 3.32Å; C393-C396 VanDerWaalsContact O-N 3.1Å; C393-G397 WeakPolarHBondContact O-CA 3.32Å; C393-G397 PolarHBondContact O-N 2.99Å; C393-K398 PolarHBondContact N-O 3.49Å; C393-F400 HydrophobicContact CB-CE2 4.48Å; C393-Y406 HydrophobicContact CB-CE2 4.1Å; C393-M410 HydrophobicContact CB-SD 4.35Å; C393-H413 PolarHBondContact SG-CD2 2.93Å; C393-H413 PolarHBondContact SG-NE2 3.01Å
394	D	76.4	Confident	70.8	Confident	141 Å²	141	89.5 Å²	89.5	75%	0.754	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-26	-173.4	-46.6	-47.7	0	0	0	112.4	C396	D394-C396 VanDerWaalsContact C-N 3.31Å; D394-C396 PolarHBondContact O-N 3.04Å
395	Q	76.2	Confident	71.2	Confident	138 Å²	138	87.7 Å²	87.7	65%	0.645	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-12.5	177.4	-59.1	-169.8	13.1	0	0	114.5	C393	C393-Q395 PolarHBondContact O-N 3.48Å
396	C	75.9	Confident	71.7	Confident	48 Å²	48	87 Å²	87	32%	0.324	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153	11.9	-179.3	70.8	0	0	0	0	116.1	C393 D394 K398 H409 H413	C393-C396 PolarHBondContact O-N 3.32Å; C393-C396 VanDerWaalsContact O-N 3.1Å; D394-C396 VanDerWaalsContact C-N 3.31Å; D394-C396 PolarHBondContact O-N 3.04Å; C396-K398 PolarHBondContact O-N 3.01Å; C396-H409 PolarHBondContact SG-NE2 3.23Å; C396-H413 PolarHBondContact SG-NE2 3.38Å
397	G	70	Confident	72.2	Confident	64 Å²	64	82.2 Å²	82.2	66%	0.66	43%	0.433	S	S	*	.			trans	66.6	-1	179.7	0	0	0	0	0	116.1	C393 G399	C393-G397 WeakPolarHBondContact O-CA 3.32Å; C393-G397 PolarHBondContact O-N 2.99Å; G397-G399 PolarHBondContact O-N 2.85Å
398	K	72.1	Confident	73.1	Confident	124 Å²	124	76.3 Å²	76.3	54%	0.539	41%	0.405	S	S	.	.			trans	-73.9	115.6	-175.3	-70.4	177.5	-175.5	169	0	110.9	C393 C396 F400	C393-K398 PolarHBondContact N-O 3.49Å; C396-K398 PolarHBondContact O-N 3.01Å; K398-F400 HydrophobicContact CB-CE2 3.75Å; K398-F400 HydrophobicContact CB-CZ 3.97Å; K398-F400 WeakPolarHBondContact O-CD2 3.33Å; K398-F400 WeakPolarHBondContact O-CE2 3.11Å
399	G	70	Confident	73.9	Confident	20 Å²	20	72.3 Å²	72.3	21%	0.206	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	136	174.2	0	0	0	0	0	113.5	K389 G397	K389-G399 WeakPolarHBondContact CD-O 3.44Å; K389-G399 WeakPolarHBondContact CG-O 3.36Å; G397-G399 PolarHBondContact O-N 2.85Å
400	F	74.4	Confident	74.3	Confident	45 Å²	45	68.5 Å²	68.5	20%	0.197	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	146.7	179.1	-58.2	-94.2	0	0	0	111.4	K389 P390 Y391 C393 K398 C405 Y406 H409	K389-F400 CarbonylContact C-O 3.49Å; K389-F400 WeakPolarHBondContact CA-O 3.33Å; P390-F400 VanDerWaalsContact CD-O 3.29Å; P390-F400 WeakPolarHBondContact CD-O 3.38Å; Y391-F400 PolarHBondContact N-O 3.07Å; Y391-F400 PolarHBondContact O-N 3.04Å; C393-F400 HydrophobicContact CB-CE2 4.48Å; K398-F400 HydrophobicContact CB-CE2 3.75Å; K398-F400 HydrophobicContact CB-CZ 3.97Å; K398-F400 WeakPolarHBondContact O-CD2 3.33Å; K398-F400 WeakPolarHBondContact O-CE2 3.11Å; F400-C405 HydrophobicContact CD1-CB 4.05Å; F400-Y406 HydrophobicContact CD2-CD2 4.11Å; F400-H409 HydrophobicContact CE1-CB 3.91Å; F400-H409 HydrophobicContact CE2-CB 3.93Å; F400-H409 AromaticContact CE2-CD2 3.2Å; F400-H409 WeakPolarHBondContact CE2-CD2 3.48Å; F400-H409 AromaticContact CE2-CG 3.62Å; F400-H409 AromaticContact CE2-NE2 3.92Å; F400-H409 HydrophobicContact CZ-CB 3.46Å; F400-H409 VanDerWaalsContact CZ-CB 3.46Å; F400-H409 AromaticContact CZ-CD2 3.34Å; F400-H409 WeakPolarHBondContact CZ-CD2 3.39Å; F400-H409 AromaticContact CZ-CG 3.25Å; F400-H409 AromaticContact CZ-ND1 3.9Å; F400-H409 AromaticContact CZ-NE2 3.99Å
401	T	68	Low	74.8	Confident	40 Å²	40	66.4 Å²	66.4	25%	0.245	35%	0.349	C	S	.	.	S	Bend	trans	-82	-16.5	177.2	50.8	0	0	0	0	113.7	M383 K389	M383-T401 HydrophobicContact CB-CG2 3.89Å; K389-T401 HydrophobicContact CG-CG2 4.37Å
402	L	69.8	Low	74.9	Confident	68 Å²	68	66.8 Å²	66.8	36%	0.356	36%	0.356	S	S	.	.	S	Bend	trans	-134.2	133.8	-174.6	-66.9	176.6	0	0	0	111.6	K404 C405 Y406	L402-K404 VanDerWaalsContact C-N 3.26Å; L402-K404 PolarHBondContact O-N 3.06Å; L402-C405 PolarHBondContact O-N 3.49Å; L402-C405 VanDerWaalsContact O-N 3.12Å; L402-Y406 PolarHBondContact O-N 2.79Å; L402-Y406 VanDerWaalsContact O-N 3.13Å
403	K	73.8	Confident	74.9	Confident	125 Å²	125	66.2 Å²	66.2	54%	0.543	35%	0.348	S	S	.	.	H	α-helix	trans	-57.4	-35.5	179	-167	170.7	-177.1	175.7	0	113.2	Y391 C405 Y406 N407	Y391-K403 HydrophobicContact CD1-CB 4.07Å; Y391-K403 HydrophobicContact CD1-CG 4.1Å; Y391-K403 HydrophobicContact CD2-CB 4.49Å; Y391-K403 HydrophobicContact CE1-CB 3.64Å; Y391-K403 HydrophobicContact CE1-CD 4Å; Y391-K403 HydrophobicContact CE1-CG 3.83Å; Y391-K403 HydrophobicContact CE2-CB 4.11Å; Y391-K403 HydrophobicContact CG-CB 4.48Å; K403-C405 PolarHBondContact O-N 3.47Å; K403-Y406 WeakPolarHBondContact O-CB 3.16Å; K403-Y406 PolarHBondContact O-N 3.13Å; K403-N407 PolarHBondContact O-N 3.46Å; K403-N407 PolarHBondContact O-OD1 3.03Å; K403-N407 VanDerWaalsContact O-OD1 3.12Å
404	K	74.6	Confident	74.8	Confident	129 Å²	129	69.7 Å²	69.7	56%	0.561	37%	0.37	S	S	*	.	H	α-helix	trans	-59.1	-49	176.6	175.8	168.3	171.1	169.5	0	111.1	L402 Y406 N407 E408	L402-K404 VanDerWaalsContact C-N 3.26Å; L402-K404 PolarHBondContact O-N 3.06Å; K404-Y406 VanDerWaalsContact C-N 3.31Å; K404-Y406 PolarHBondContact O-N 3.22Å; K404-N407 PolarHBondContact O-N 2.79Å; K404-E408 WeakPolarHBondContact CE-OE1 3.33Å; K404-E408 HydrophobicContact CG-CG 4.28Å; K404-E408 IonicContact NZ-OE1 2.75Å; K404-E408 PolarHBondContact NZ-OE1 2.83Å; K404-E408 WeakPolarHBondContact O-CB 3.26Å; K404-E408 VanDerWaalsContact O-CG 3.32Å; K404-E408 WeakPolarHBondContact O-CG 3.4Å; K404-E408 PolarHBondContact O-N 2.89Å
405	C	75.3	Confident	74.8	Confident	50 Å²	50	65.2 Å²	65.2	34%	0.338	36%	0.356	S	S	.	.	H	α-helix	trans	-69.3	-29.6	-179.4	-55.8	0	0	0	0	112.8	F400 L402 K403 H409	F400-C405 HydrophobicContact CD1-CB 4.05Å; L402-C405 PolarHBondContact O-N 3.49Å; L402-C405 VanDerWaalsContact O-N 3.12Å; K403-C405 PolarHBondContact O-N 3.47Å; C405-H409 VanDerWaalsContact O-CB 3.26Å; C405-H409 WeakPolarHBondContact O-CB 3.21Å; C405-H409 PolarHBondContact O-N 2.9Å
406	Y	77.8	Confident	74.8	Confident	51 Å²	51	64 Å²	64	20%	0.2	35%	0.351	C	S	.	.	H	α-helix	trans	-64.6	-50.8	169	170.8	-97.5	0	0	0	111.7	T392 C393 F400 L402 K403 K404 E408 H409 M410	T392-Y406 VanDerWaalsContact O-CE2 3.23Å; T392-Y406 WeakPolarHBondContact O-CE2 3.34Å; C393-Y406 HydrophobicContact CB-CE2 4.1Å; F400-Y406 HydrophobicContact CD2-CD2 4.11Å; L402-Y406 PolarHBondContact O-N 2.79Å; L402-Y406 VanDerWaalsContact O-N 3.13Å; K403-Y406 WeakPolarHBondContact O-CB 3.16Å; K403-Y406 PolarHBondContact O-N 3.13Å; K404-Y406 VanDerWaalsContact C-N 3.31Å; K404-Y406 PolarHBondContact O-N 3.22Å; Y406-E408 PolarHBondContact O-N 3.1Å; Y406-H409 WeakPolarHBondContact O-CB 3.39Å; Y406-H409 PolarHBondContact O-N 3.06Å; Y406-H409 VanDerWaalsContact O-N 3.11Å; Y406-M410 HydrophobicContact CD1-CG 4.43Å; Y406-M410 HydrophobicContact CE1-CG 3.93Å; Y406-M410 HydrophobicContact CE2-CG 4.19Å; Y406-M410 HydrophobicContact CE2-SD 3.99Å; Y406-M410 WeakPolarHBondContact O-CG 3.33Å; Y406-M410 PolarHBondContact O-N 2.99Å
407	N	77.2	Confident	74.9	Confident	81 Å²	81	68.8 Å²	68.8	43%	0.433	36%	0.362	S	S	.	.	H	α-helix	trans	-58.5	-48.3	176.2	-76.1	35.5	0	0	0	111.3	K403 K404 H409 M410 N411	K403-N407 PolarHBondContact O-N 3.46Å; K403-N407 PolarHBondContact O-OD1 3.03Å; K403-N407 VanDerWaalsContact O-OD1 3.12Å; K404-N407 PolarHBondContact O-N 2.79Å; N407-H409 PolarHBondContact O-N 3.06Å; N407-M410 PolarHBondContact O-N 3.08Å; N407-N411 PolarHBondContact O-N 3.33Å; N407-N411 PolarHBondContact O-OD1 2.87Å
408	E	76.9	Confident	75.4	Confident	41 Å²	41	69.4 Å²	69.4	19%	0.192	35%	0.354	C	S	.	.	H	α-helix	trans	-58.2	-33.9	175.7	-72.5	172.5	140.5	0	0	112.3	K404 Y406 N411 Y430	K404-E408 WeakPolarHBondContact CE-OE1 3.33Å; K404-E408 HydrophobicContact CG-CG 4.28Å; K404-E408 IonicContact NZ-OE1 2.75Å; K404-E408 PolarHBondContact NZ-OE1 2.83Å; K404-E408 WeakPolarHBondContact O-CB 3.26Å; K404-E408 VanDerWaalsContact O-CG 3.32Å; K404-E408 WeakPolarHBondContact O-CG 3.4Å; K404-E408 PolarHBondContact O-N 2.89Å; Y406-E408 PolarHBondContact O-N 3.1Å; E408-N411 WeakPolarHBondContact O-CB 3.48Å; E408-Y430 HydrophobicContact CB-CD1 4.2Å; E408-Y430 HydrophobicContact CB-CE1 4.01Å; E408-Y430 VanDerWaalsContact O-CE1 3.25Å; E408-Y430 WeakPolarHBondContact O-CE1 3.39Å
409	H	78.6	Confident	75.8	Confident	11 Å²	11	66.7 Å²	66.7	5%	0.051	34%	0.341	C	S	.	.	H	α-helix	trans	-71.8	-36.6	174.1	169.8	55.6	0	0	0	113.1	C396 F400 C405 Y406 N407 N411 I412 H413	C396-H409 PolarHBondContact SG-NE2 3.23Å; F400-H409 HydrophobicContact CE1-CB 3.91Å; F400-H409 HydrophobicContact CE2-CB 3.93Å; F400-H409 AromaticContact CE2-CD2 3.2Å; F400-H409 WeakPolarHBondContact CE2-CD2 3.48Å; F400-H409 AromaticContact CE2-CG 3.62Å; F400-H409 AromaticContact CE2-NE2 3.92Å; F400-H409 HydrophobicContact CZ-CB 3.46Å; F400-H409 VanDerWaalsContact CZ-CB 3.46Å; F400-H409 AromaticContact CZ-CD2 3.34Å; F400-H409 WeakPolarHBondContact CZ-CD2 3.39Å; F400-H409 AromaticContact CZ-CG 3.25Å; F400-H409 AromaticContact CZ-ND1 3.9Å; F400-H409 AromaticContact CZ-NE2 3.99Å; C405-H409 VanDerWaalsContact O-CB 3.26Å; C405-H409 WeakPolarHBondContact O-CB 3.21Å; C405-H409 PolarHBondContact O-N 2.9Å; Y406-H409 WeakPolarHBondContact O-CB 3.39Å; Y406-H409 PolarHBondContact O-N 3.06Å; Y406-H409 VanDerWaalsContact O-N 3.11Å; N407-H409 PolarHBondContact O-N 3.06Å; H409-N411 PolarHBondContact O-N 3.01Å; H409-I412 WeakPolarHBondContact ND1-CD1 3.31Å; H409-I412 VanDerWaalsContact O-CB 3.31Å; H409-I412 WeakPolarHBondContact O-CB 3.46Å; H409-I412 WeakPolarHBondContact O-CG1 3.23Å; H409-I412 PolarHBondContact O-N 3.31Å; H409-H413 AromaticContact CD2-NE2 3.96Å; H409-H413 AromaticContact CE1-CE1 3.91Å; H409-H413 AromaticContact CE1-NE2 3.2Å; H409-H413 PolarHBondContact CE1-NE2 3.23Å; H409-H413 AromaticContact NE2-CD2 3.81Å; H409-H413 AromaticContact NE2-NE2 3.03Å; H409-H413 PolarHBondContact NE2-NE2 3.26Å
410	M	77.1	Confident	76.2	Confident	35 Å²	35	69.4 Å²	69.4	17%	0.172	35%	0.354	C	S	.	.	H	α-helix	trans	-60.8	-28.3	178.4	-70	-52.9	-56.9	0	0	112.7	C393 Y406 N407 I412 H413 T414	C393-M410 HydrophobicContact CB-SD 4.35Å; Y406-M410 HydrophobicContact CD1-CG 4.43Å; Y406-M410 HydrophobicContact CE1-CG 3.93Å; Y406-M410 HydrophobicContact CE2-CG 4.19Å; Y406-M410 HydrophobicContact CE2-SD 3.99Å; Y406-M410 WeakPolarHBondContact O-CG 3.33Å; Y406-M410 PolarHBondContact O-N 2.99Å; N407-M410 PolarHBondContact O-N 3.08Å; M410-I412 PolarHBondContact O-N 3.35Å; M410-I412 VanDerWaalsContact O-N 3.08Å; M410-H413 HydrophobicContact CE-CB 4.33Å; M410-H413 PolarHBondContact O-N 3.29Å; M410-T414 PolarHBondContact O-N 2.81Å; M410-T414 PolarHBondContact O-OG1 2.98Å
411	N	80.4	Confident	76.5	Confident	22 Å²	22	67.3 Å²	67.3	12%	0.118	35%	0.345	C	S	.	.	H	α-helix	trans	-54.6	-25	171.8	-59.7	1.9	0	0	0	113.4	N407 E408 H409 G415 E416 P429	N407-N411 PolarHBondContact O-N 3.33Å; N407-N411 PolarHBondContact O-OD1 2.87Å; E408-N411 WeakPolarHBondContact O-CB 3.48Å; H409-N411 PolarHBondContact O-N 3.01Å; N411-G415 CarbonylContact O-C 3.24Å; N411-G415 PolarHBondContact O-N 2.99Å; N411-E416 PolarHBondContact O-N 3.42Å; N411-P429 HydrophobicContact CB-CB 3.83Å; N411-P429 PolarHBondContact ND2-O 2.98Å
412	I	76.4	Confident	77	Confident	94 Å²	94	72.5 Å²	72.5	48%	0.482	37%	0.371	S	S	.	.	H	α-helix	trans	-68.7	-38.9	174.5	-55.4	177.5	0	0	0	110.8	H409 M410 Y430	H409-I412 WeakPolarHBondContact ND1-CD1 3.31Å; H409-I412 VanDerWaalsContact O-CB 3.31Å; H409-I412 WeakPolarHBondContact O-CB 3.46Å; H409-I412 WeakPolarHBondContact O-CG1 3.23Å; H409-I412 PolarHBondContact O-N 3.31Å; M410-I412 PolarHBondContact O-N 3.35Å; M410-I412 VanDerWaalsContact O-N 3.08Å; I412-Y430 WeakPolarHBondContact CD1-OH 3.06Å
413	H	74.9	Confident	77.4	Confident	62 Å²	62	75 Å²	75	29%	0.287	38%	0.381	S	S	.	.	H	α-helix	trans	-88.6	-39.9	-172.8	-59	-55.8	0	0	0	112.7	C393 C396 H409 M410 G415	C393-H413 PolarHBondContact SG-CD2 2.93Å; C393-H413 PolarHBondContact SG-NE2 3.01Å; C396-H413 PolarHBondContact SG-NE2 3.38Å; H409-H413 AromaticContact CD2-NE2 3.96Å; H409-H413 AromaticContact CE1-CE1 3.91Å; H409-H413 AromaticContact CE1-NE2 3.2Å; H409-H413 PolarHBondContact CE1-NE2 3.23Å; H409-H413 AromaticContact NE2-CD2 3.81Å; H409-H413 AromaticContact NE2-NE2 3.03Å; H409-H413 PolarHBondContact NE2-NE2 3.26Å; M410-H413 HydrophobicContact CE-CB 4.33Å; M410-H413 PolarHBondContact O-N 3.29Å; H413-G415 PolarHBondContact O-N 3.08Å
414	T	75.1	Confident	77.6	Confident	75 Å²	75	72.1 Å²	72.1	46%	0.46	38%	0.376	S	S	.	.	S	Bend	trans	-72.4	-14.6	173	58.7	0	0	0	0	112.4	M410 E416	M410-T414 PolarHBondContact O-N 2.81Å; M410-T414 PolarHBondContact O-OG1 2.98Å; T414-E416 PolarHBondContact O-N 2.78Å; T414-E416 WeakPolarHBondContact OG1-CB 3.35Å; T414-E416 WeakPolarHBondContact OG1-CG 3.29Å; T414-E416 PolarHBondContact OG1-N 2.88Å
415	G	75.6	Confident	77.6	Confident	46 Å²	46	68.9 Å²	68.9	47%	0.474	38%	0.379	S	S	.	.			trans	70.9	2	-172.4	0	0	0	0	0	113.9	N411 H413	N411-G415 CarbonylContact O-C 3.24Å; N411-G415 PolarHBondContact O-N 2.99Å; H413-G415 PolarHBondContact O-N 3.08Å
416	E	76.1	Confident	77.6	Confident	112 Å²	112	72 Å²	72	52%	0.523	39%	0.387	S	S	.	.			trans	-59.3	138.3	-178.2	-76.7	176.8	-170.2	0	0	111.8	N411 T414	N411-E416 PolarHBondContact O-N 3.42Å; T414-E416 PolarHBondContact O-N 2.78Å; T414-E416 WeakPolarHBondContact OG1-CB 3.35Å; T414-E416 WeakPolarHBondContact OG1-CG 3.29Å; T414-E416 PolarHBondContact OG1-N 2.88Å
417	R	79.6	Confident	77.6	Confident	150 Å²	150	70.1 Å²	70.1	57%	0.566	38%	0.383	S	S	*	.			trans	-130.4	70.9	-178.6	-72.9	163.1	-177	-126.9	14.9	110.3	Y419 G427 F428	R417-Y419 PolarHBondContact O-N 3.39Å; R417-G427 WeakPolarHBondContact CD-O 3.45Å; R417-G427 PolarHBondContact NH1-O 3.19Å; R417-F428 CarbonylContact C-O 3.5Å; R417-F428 VanDerWaalsContact C-O 3.32Å; R417-F428 VanDerWaalsContact CA-O 3.29Å; R417-F428 WeakPolarHBondContact CA-O 3.39Å
418	P	79.5	Confident	77.6	Confident	76 Å²	76	67.7 Å²	67.7	49%	0.494	37%	0.369	S	S	.	.			trans	-65.4	-10.8	-172.7	-20.3	34	0	0	0	114.4
419	Y	81.8	Confident	77.3	Confident	67 Å²	67	67.2 Å²	67.2	26%	0.263	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	88.5	-175.4	-56	-78.9	0	0	0	109.9	R417 F428 E431	R417-Y419 PolarHBondContact O-N 3.39Å; Y419-F428 PolarHBondContact N-O 3.16Å; Y419-F428 PolarHBondContact O-N 3.36Å; Y419-E431 HydrophobicContact CD1-CB 3.76Å; Y419-E431 HydrophobicContact CD1-CG 3.98Å; Y419-E431 VanDerWaalsContact CD2-N 3.26Å; Y419-E431 HydrophobicContact CE1-CB 3.53Å; Y419-E431 HydrophobicContact CE1-CG 3.81Å; Y419-E431 HydrophobicContact CE2-CB 4.33Å; Y419-E431 HydrophobicContact CG-CB 4.25Å
420	T	77.9	Confident	77.1	Confident	77 Å²	77	70.1 Å²	70.1	47%	0.472	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	148	176.9	44.8	0	0	0	0	112.5	L434	T420-L434 VanDerWaalsContact O-CD2 3.25Å; T420-L434 WeakPolarHBondContact O-CD2 3.43Å
421	C	80.7	Confident	77.1	Confident	1 Å²	1	73 Å²	73	1%	0.007	39%	0.394	C	S	.	.			trans	-93	113.6	168.5	177.9	0	0	0	0	110.7	Q423 C424 G425 K426 F428 L434 M438	C421-Q423 PolarHBondContact O-N 3.14Å; C421-Q423 VanDerWaalsContact O-N 3.12Å; C421-C424 PolarHBondContact O-N 2.94Å; C421-C424 VanDerWaalsContact SG-SG 3.62Å; C421-G425 WeakPolarHBondContact O-CA 3.26Å; C421-G425 PolarHBondContact O-N 2.81Å; C421-K426 HydrophobicContact CB-CB 4.46Å; C421-K426 PolarHBondContact N-O 3.07Å; C421-F428 HydrophobicContact CB-CE2 4.44Å; C421-L434 HydrophobicContact CB-CD1 3.67Å; C421-M438 HydrophobicContact CB-SD 4.38Å; C421-M438 PolarHBondContact SG-SD 2.73Å
422	D	78.7	Confident	76.9	Confident	149 Å²	149	79.5 Å²	79.5	80%	0.797	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.8	-176.5	-44.1	-47	0	0	0	113.3
423	Q	77.2	Confident	77	Confident	120 Å²	120	77 Å²	77	56%	0.561	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-10.7	-179.4	-62.2	-169.8	1	0	0	114.6	C421 M438 H441	C421-Q423 PolarHBondContact O-N 3.14Å; C421-Q423 VanDerWaalsContact O-N 3.12Å; Q423-M438 HydrophobicContact CG-CE 4.38Å; Q423-H441 VanDerWaalsContact OE1-CB 3.23Å; Q423-H441 VanDerWaalsContact OE1-CG 3.32Å; Q423-H441 PolarHBondContact OE1-ND1 3.42Å
424	C	78.1	Confident	77.3	Confident	65 Å²	65	75.4 Å²	75.4	44%	0.439	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.9	11.4	178.2	70.2	0	0	0	0	115.4	C421 K426 H437	C421-C424 PolarHBondContact O-N 2.94Å; C421-C424 VanDerWaalsContact SG-SG 3.62Å; C424-K426 PolarHBondContact O-N 3.18Å; C424-K426 WeakPolarHBondContact SG-CB 3.2Å; C424-H437 PolarHBondContact SG-NE2 3.42Å
425	G	74.5	Confident	77.5	Confident	62 Å²	62	76.1 Å²	76.1	64%	0.639	41%	0.409	S	S	*	.			trans	66.7	-2.5	-178.2	0	0	0	0	0	115.4	C421 G427	C421-G425 WeakPolarHBondContact O-CA 3.26Å; C421-G425 PolarHBondContact O-N 2.81Å; G425-G427 PolarHBondContact O-N 3.35Å; G425-G427 VanDerWaalsContact O-N 3.15Å
426	K	75.7	Confident	77.5	Confident	115 Å²	115	76.4 Å²	76.4	50%	0.5	40%	0.399	S	S	.	.			trans	-72.4	112.3	-169.2	-168.4	167.8	-175.6	168.8	0	111.8	C421 C424 F428	C421-K426 HydrophobicContact CB-CB 4.46Å; C421-K426 PolarHBondContact N-O 3.07Å; C424-K426 PolarHBondContact O-N 3.18Å; C424-K426 WeakPolarHBondContact SG-CB 3.2Å; K426-F428 HydrophobicContact CB-CE2 4.04Å; K426-F428 HydrophobicContact CB-CZ 4.41Å; K426-F428 HydrophobicContact CD-CE2 4.32Å; K426-F428 HydrophobicContact CD-CZ 3.85Å; K426-F428 HydrophobicContact CG-CE2 3.85Å; K426-F428 HydrophobicContact CG-CZ 3.84Å; K426-F428 VanDerWaalsContact O-CD2 3.22Å; K426-F428 WeakPolarHBondContact O-CD2 3.46Å; K426-F428 WeakPolarHBondContact O-CE2 3.43Å
427	G	77.7	Confident	77.5	Confident	11 Å²	11	72.5 Å²	72.5	11%	0.113	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	139.7	175.3	0	0	0	0	0	114.1	R417 G425	R417-G427 WeakPolarHBondContact CD-O 3.45Å; R417-G427 PolarHBondContact NH1-O 3.19Å; G425-G427 PolarHBondContact O-N 3.35Å; G425-G427 VanDerWaalsContact O-N 3.15Å
428	F	77.4	Confident	77.2	Confident	30 Å²	30	67.1 Å²	67.1	13%	0.132	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	147	175.9	-62.1	-92.5	0	0	0	111.7	R417 Y419 C421 K426 Y430 L434 H437	R417-F428 CarbonylContact C-O 3.5Å; R417-F428 VanDerWaalsContact C-O 3.32Å; R417-F428 VanDerWaalsContact CA-O 3.29Å; R417-F428 WeakPolarHBondContact CA-O 3.39Å; Y419-F428 PolarHBondContact N-O 3.16Å; Y419-F428 PolarHBondContact O-N 3.36Å; C421-F428 HydrophobicContact CB-CE2 4.44Å; K426-F428 HydrophobicContact CB-CE2 4.04Å; K426-F428 HydrophobicContact CB-CZ 4.41Å; K426-F428 HydrophobicContact CD-CE2 4.32Å; K426-F428 HydrophobicContact CD-CZ 3.85Å; K426-F428 HydrophobicContact CG-CE2 3.85Å; K426-F428 HydrophobicContact CG-CZ 3.84Å; K426-F428 VanDerWaalsContact O-CD2 3.22Å; K426-F428 WeakPolarHBondContact O-CD2 3.46Å; K426-F428 WeakPolarHBondContact O-CE2 3.43Å; F428-Y430 VanDerWaalsContact C-N 3.28Å; F428-Y430 PolarHBondContact O-N 2.72Å; F428-L434 HydrophobicContact CB-CB 4.45Å; F428-L434 HydrophobicContact CD2-CB 4.08Å; F428-L434 HydrophobicContact CD2-CD1 4.06Å; F428-L434 HydrophobicContact CE2-CD1 4.23Å; F428-L434 HydrophobicContact CG-CB 4.41Å; F428-H437 HydrophobicContact CE1-CB 4.06Å; F428-H437 HydrophobicContact CE2-CB 3.95Å; F428-H437 AromaticContact CE2-CD2 3.27Å; F428-H437 WeakPolarHBondContact CE2-CD2 3.43Å; F428-H437 AromaticContact CE2-CG 3.78Å; F428-H437 HydrophobicContact CZ-CB 3.48Å; F428-H437 VanDerWaalsContact CZ-CB 3.48Å; F428-H437 AromaticContact CZ-CD2 3.34Å; F428-H437 WeakPolarHBondContact CZ-CD2 3.48Å; F428-H437 AromaticContact CZ-CG 3.38Å
429	P	69.8	Low	77.2	Confident	32 Å²	32	67.3 Å²	67.3	21%	0.208	35%	0.353	C	S	.	.	S	Bend	trans	-75.5	-14.2	175.8	30.3	-34.7	0	0	0	113.5	N411	N411-P429 HydrophobicContact CB-CB 3.83Å; N411-P429 PolarHBondContact ND2-O 2.98Å
430	Y	76	Confident	76.7	Confident	72 Å²	72	70.3 Å²	70.3	28%	0.282	37%	0.368	S	S	.	.	S	Bend	trans	-134.6	138.2	-178.5	-45.4	-69	0	0	0	112.7	E408 I412 F428 Q432 S433 L434	E408-Y430 HydrophobicContact CB-CD1 4.2Å; E408-Y430 HydrophobicContact CB-CE1 4.01Å; E408-Y430 VanDerWaalsContact O-CE1 3.25Å; E408-Y430 WeakPolarHBondContact O-CE1 3.39Å; I412-Y430 WeakPolarHBondContact CD1-OH 3.06Å; F428-Y430 VanDerWaalsContact C-N 3.28Å; F428-Y430 PolarHBondContact O-N 2.72Å; Y430-Q432 PolarHBondContact O-N 2.67Å; Y430-S433 WeakPolarHBondContact O-CB 3.36Å; Y430-S433 PolarHBondContact O-N 3.13Å; Y430-L434 PolarHBondContact O-N 2.83Å
431	E	76.3	Confident	76.4	Confident	96 Å²	96	70.1 Å²	70.1	45%	0.449	36%	0.361	S	S	.	.	H	α-helix	trans	-53.6	-38.3	173.1	-162	-159.8	134.6	0	0	112.6	Y419 S433 L434 N435	Y419-E431 HydrophobicContact CD1-CB 3.76Å; Y419-E431 HydrophobicContact CD1-CG 3.98Å; Y419-E431 VanDerWaalsContact CD2-N 3.26Å; Y419-E431 HydrophobicContact CE1-CB 3.53Å; Y419-E431 HydrophobicContact CE1-CG 3.81Å; Y419-E431 HydrophobicContact CE2-CB 4.33Å; Y419-E431 HydrophobicContact CG-CB 4.25Å; E431-S433 VanDerWaalsContact C-N 3.31Å; E431-S433 PolarHBondContact O-N 3.43Å; E431-L434 PolarHBondContact O-N 3.28Å; E431-N435 WeakPolarHBondContact O-CB 3.42Å; E431-N435 PolarHBondContact O-N 3.1Å; E431-N435 PolarHBondContact O-ND2 2.8Å
432	Q	76.6	Confident	76.2	Confident	157 Å²	157	78.3 Å²	78.3	73%	0.734	39%	0.392	S	S	*	.	H	α-helix	trans	-67.2	-33	179.5	-62.6	176.3	10.3	0	0	112.1	Y430 L436	Y430-Q432 PolarHBondContact O-N 2.67Å; Q432-L436 VanDerWaalsContact O-CB 3.29Å; Q432-L436 WeakPolarHBondContact O-CB 3.41Å; Q432-L436 PolarHBondContact O-N 3.02Å
433	S	77.4	Confident	75.8	Confident	43 Å²	43	73.6 Å²	73.6	30%	0.301	38%	0.379	S	S	.	.	H	α-helix	trans	-74	-37.7	176.1	-57.2	0	0	0	0	111.7	Y430 E431 H437	Y430-S433 WeakPolarHBondContact O-CB 3.36Å; Y430-S433 PolarHBondContact O-N 3.13Å; E431-S433 VanDerWaalsContact C-N 3.31Å; E431-S433 PolarHBondContact O-N 3.43Å; S433-H437 WeakPolarHBondContact O-CB 3.34Å; S433-H437 PolarHBondContact O-N 2.96Å
434	L	81	Confident	75.8	Confident	28 Å²	28	71.4 Å²	71.4	15%	0.147	37%	0.368	C	S	.	.	H	α-helix	trans	-62.1	-52.8	170.5	173.3	60.4	0	0	0	110.9	T420 C421 F428 Y430 E431 L436 H437 M438	T420-L434 VanDerWaalsContact O-CD2 3.25Å; T420-L434 WeakPolarHBondContact O-CD2 3.43Å; C421-L434 HydrophobicContact CB-CD1 3.67Å; F428-L434 HydrophobicContact CB-CB 4.45Å; F428-L434 HydrophobicContact CD2-CB 4.08Å; F428-L434 HydrophobicContact CD2-CD1 4.06Å; F428-L434 HydrophobicContact CE2-CD1 4.23Å; F428-L434 HydrophobicContact CG-CB 4.41Å; Y430-L434 PolarHBondContact O-N 2.83Å; E431-L434 PolarHBondContact O-N 3.28Å; L434-L436 VanDerWaalsContact C-N 3.27Å; L434-L436 PolarHBondContact O-N 3.01Å; L434-H437 CarbonylContact O-C 3.54Å; L434-H437 WeakPolarHBondContact O-CA 3.33Å; L434-H437 WeakPolarHBondContact O-CB 3.34Å; L434-H437 PolarHBondContact O-N 2.87Å; L434-M438 HydrophobicContact CD1-CG 4.18Å; L434-M438 HydrophobicContact CD1-SD 4.05Å; L434-M438 HydrophobicContact CG-CG 4.46Å; L434-M438 WeakPolarHBondContact O-CG 3.34Å; L434-M438 PolarHBondContact O-N 3.17Å
435	N	79.6	Confident	75.8	Confident	90 Å²	90	74.4 Å²	74.4	48%	0.481	37%	0.374	S	S	.	.	H	α-helix	trans	-56.7	-39.3	178.3	-82.1	-57.4	0	0	0	112.7	E431	E431-N435 WeakPolarHBondContact O-CB 3.42Å; E431-N435 PolarHBondContact O-N 3.1Å; E431-N435 PolarHBondContact O-ND2 2.8Å
436	L	75.1	Confident	76.1	Confident	52 Å²	52	75 Å²	75	27%	0.272	37%	0.367	S	S	.	.	H	α-helix	trans	-68.6	-34	174.1	176.1	57.4	0	0	0	112.7	Q432 L434 Q458	Q432-L436 VanDerWaalsContact O-CB 3.29Å; Q432-L436 WeakPolarHBondContact O-CB 3.41Å; Q432-L436 PolarHBondContact O-N 3.02Å; L434-L436 VanDerWaalsContact C-N 3.27Å; L434-L436 PolarHBondContact O-N 3.01Å; L436-Q458 HydrophobicContact CD1-CG 3.54Å; L436-Q458 HydrophobicContact CD2-CG 4.14Å; L436-Q458 HydrophobicContact CG-CG 4.42Å
437	H	77.2	Confident	76.4	Confident	30 Å²	30	72.2 Å²	72.2	14%	0.139	36%	0.355	C	S	.	.	H	α-helix	trans	-70	-38.8	174.5	170.4	50.6	0	0	0	112.6	C424 F428 S433 L434 R439 F440 H441	C424-H437 PolarHBondContact SG-NE2 3.42Å; F428-H437 HydrophobicContact CE1-CB 4.06Å; F428-H437 HydrophobicContact CE2-CB 3.95Å; F428-H437 AromaticContact CE2-CD2 3.27Å; F428-H437 WeakPolarHBondContact CE2-CD2 3.43Å; F428-H437 AromaticContact CE2-CG 3.78Å; F428-H437 HydrophobicContact CZ-CB 3.48Å; F428-H437 VanDerWaalsContact CZ-CB 3.48Å; F428-H437 AromaticContact CZ-CD2 3.34Å; F428-H437 WeakPolarHBondContact CZ-CD2 3.48Å; F428-H437 AromaticContact CZ-CG 3.38Å; S433-H437 WeakPolarHBondContact O-CB 3.34Å; S433-H437 PolarHBondContact O-N 2.96Å; L434-H437 CarbonylContact O-C 3.54Å; L434-H437 WeakPolarHBondContact O-CA 3.33Å; L434-H437 WeakPolarHBondContact O-CB 3.34Å; L434-H437 PolarHBondContact O-N 2.87Å; H437-R439 PolarHBondContact O-N 3.37Å; H437-R439 VanDerWaalsContact O-N 3.09Å; H437-F440 WeakPolarHBondContact O-CB 3.24Å; H437-F440 PolarHBondContact O-N 2.83Å; H437-H441 AromaticContact CE1-CD2 3.79Å; H437-H441 AromaticContact CE1-NE2 3.39Å; H437-H441 PolarHBondContact CE1-NE2 2.66Å; H437-H441 AromaticContact NE2-CD2 3.81Å; H437-H441 AromaticContact NE2-NE2 3.34Å; H437-H441 PolarHBondContact NE2-NE2 2.8Å
438	M	73.5	Confident	76.3	Confident	37 Å²	37	74.7 Å²	74.7	18%	0.182	37%	0.368	C	S	.	.	H	α-helix	trans	-57.4	-26.6	176.9	-65.7	-51.5	-69.3	0	0	113	C421 Q423 L434 F440 H441 R442	C421-M438 HydrophobicContact CB-SD 4.38Å; C421-M438 PolarHBondContact SG-SD 2.73Å; Q423-M438 HydrophobicContact CG-CE 4.38Å; L434-M438 HydrophobicContact CD1-CG 4.18Å; L434-M438 HydrophobicContact CD1-SD 4.05Å; L434-M438 HydrophobicContact CG-CG 4.46Å; L434-M438 WeakPolarHBondContact O-CG 3.34Å; L434-M438 PolarHBondContact O-N 3.17Å; M438-F440 VanDerWaalsContact C-N 3.25Å; M438-F440 PolarHBondContact O-N 3.15Å; M438-H441 PolarHBondContact O-N 3.13Å; M438-R442 WeakPolarHBondContact O-CG 3.34Å; M438-R442 PolarHBondContact O-N 3.4Å
439	R	79.5	Confident	76.5	Confident	79 Å²	79	73.3 Å²	73.3	30%	0.298	36%	0.362	S	S	.	.	H	α-helix	trans	-62	-28.8	172.9	-65.1	-166.2	175.3	150.4	6.3	114.2	H437 G443 E444 S457	H437-R439 PolarHBondContact O-N 3.37Å; H437-R439 VanDerWaalsContact O-N 3.09Å; R439-G443 CarbonylContact O-C 3.56Å; R439-G443 WeakPolarHBondContact O-CA 3.37Å; R439-G443 PolarHBondContact O-N 3.46Å; R439-E444 HydrophobicContact CB-CB 3.99Å; R439-E444 HydrophobicContact CG-CB 3.99Å; R439-E444 IonicContact NE-OE2 2.67Å; R439-E444 PolarHBondContact O-N 3.09Å; R439-S457 PolarHBondContact NH1-O 2.98Å
440	F	71.7	Confident	76.9	Confident	130 Å²	130	78.6 Å²	78.6	57%	0.57	39%	0.388	S	S	*	.	H	α-helix	trans	-69.3	-42.9	175.4	-72.1	-97	0	0	0	110.9	H437 M438 G443	H437-F440 WeakPolarHBondContact O-CB 3.24Å; H437-F440 PolarHBondContact O-N 2.83Å; M438-F440 VanDerWaalsContact C-N 3.25Å; M438-F440 PolarHBondContact O-N 3.15Å; F440-G443 PolarHBondContact O-N 3.45Å
441	H	71.5	Confident	76.9	Confident	73 Å²	73	81.7 Å²	81.7	34%	0.338	41%	0.405	S	S	.	.	H	α-helix	trans	-63.9	-38.7	175.2	-73	-73.8	0	0	0	112.7	Q423 H437 M438	Q423-H441 VanDerWaalsContact OE1-CB 3.23Å; Q423-H441 VanDerWaalsContact OE1-CG 3.32Å; Q423-H441 PolarHBondContact OE1-ND1 3.42Å; H437-H441 AromaticContact CE1-CD2 3.79Å; H437-H441 AromaticContact CE1-NE2 3.39Å; H437-H441 PolarHBondContact CE1-NE2 2.66Å; H437-H441 AromaticContact NE2-CD2 3.81Å; H437-H441 AromaticContact NE2-NE2 3.34Å; H437-H441 PolarHBondContact NE2-NE2 2.8Å; M438-H441 PolarHBondContact O-N 3.13Å
442	R	74.8	Confident	77	Confident	173 Å²	173	80.2 Å²	80.2	65%	0.653	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-3.8	179.7	-64.1	-177.6	170.9	-153.8	-5.4	114.8	M438 E444	M438-R442 WeakPolarHBondContact O-CG 3.34Å; M438-R442 PolarHBondContact O-N 3.4Å; R442-E444 HydrophobicContact CB-CG 3.86Å; R442-E444 WeakPolarHBondContact CD-OE1 3.26Å; R442-E444 IonicContact NE-OE1 2.69Å; R442-E444 IonicContact NH1-OE1 3.14Å; R442-E444 PolarHBondContact NH1-OE1 2.88Å; R442-E444 PolarHBondContact O-N 3.22Å; R442-E444 VanDerWaalsContact O-N 3.13Å
443	G	72.1	Confident	77	Confident	50 Å²	50	75.2 Å²	75.2	52%	0.515	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	4.5	-172.5	0	0	0	0	0	115.5	R439 F440 K445	R439-G443 CarbonylContact O-C 3.56Å; R439-G443 WeakPolarHBondContact O-CA 3.37Å; R439-G443 PolarHBondContact O-N 3.46Å; F440-G443 PolarHBondContact O-N 3.45Å; G443-K445 PolarHBondContact O-N 3.26Å
444	E	76.4	Confident	76.9	Confident	74 Å²	74	77.8 Å²	77.8	35%	0.346	40%	0.403	S	S	.	.			trans	-60	114.4	-174.4	-74.3	176.4	-154.3	0	0	112	R439 R442 S457	R439-E444 HydrophobicContact CB-CB 3.99Å; R439-E444 HydrophobicContact CG-CB 3.99Å; R439-E444 IonicContact NE-OE2 2.67Å; R439-E444 PolarHBondContact O-N 3.09Å; R442-E444 HydrophobicContact CB-CG 3.86Å; R442-E444 WeakPolarHBondContact CD-OE1 3.26Å; R442-E444 IonicContact NE-OE1 2.69Å; R442-E444 IonicContact NH1-OE1 3.14Å; R442-E444 PolarHBondContact NH1-OE1 2.88Å; R442-E444 PolarHBondContact O-N 3.22Å; R442-E444 VanDerWaalsContact O-N 3.13Å; E444-S457 WeakPolarHBondContact O-CB 3.47Å
445	K	78.7	Confident	76.9	Confident	129 Å²	129	78.4 Å²	78.4	56%	0.561	41%	0.409	S	S	*	.			trans	-123.9	74.7	175.8	-68.4	167.7	178.3	178	0	111.1	G443 F447 F456	G443-K445 PolarHBondContact O-N 3.26Å; K445-F447 PolarHBondContact O-N 3.01Å; K445-F456 CarbonylContact C-O 3.52Å; K445-F456 VanDerWaalsContact CA-O 3.3Å; K445-F456 WeakPolarHBondContact CA-O 3.35Å
446	P	79.5	Confident	76.8	Confident	74 Å²	74	76 Å²	76	48%	0.481	39%	0.394	S	S	.	.			trans	-70.8	-1.2	-168.2	-19.5	34.2	0	0	0	116
447	F	81.9	Confident	76.8	Confident	57 Å²	57	74.5 Å²	74.5	25%	0.25	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	86.9	-176	-51.5	-78	0	0	0	109.7	K445 S455 F456 Q458 K459 Y462	K445-F447 PolarHBondContact O-N 3.01Å; F447-S455 CarbonylContact O-C 3.18Å; F447-S455 WeakPolarHBondContact O-CA 3.5Å; F447-F456 HydrophobicContact CB-CB 4.4Å; F447-F456 WeakPolarHBondContact CD2-O 3.47Å; F447-F456 PolarHBondContact N-O 2.96Å; F447-F456 VanDerWaalsContact N-O 3.14Å; F447-F456 PolarHBondContact O-N 3.02Å; F447-Q458 VanDerWaalsContact CD2-C 3.48Å; F447-K459 HydrophobicContact CD1-CB 4.14Å; F447-K459 HydrophobicContact CD1-CG 4.3Å; F447-K459 HydrophobicContact CD2-CB 4.47Å; F447-K459 HydrophobicContact CE1-CB 3.77Å; F447-K459 HydrophobicContact CE1-CD 4.18Å; F447-K459 HydrophobicContact CE1-CG 4.09Å; F447-K459 HydrophobicContact CE2-CB 4.13Å; F447-K459 VanDerWaalsContact CE2-N 3.35Å; F447-K459 HydrophobicContact CG-CB 4.49Å; F447-K459 HydrophobicContact CZ-CB 3.77Å; F447-Y462 HydrophobicContact CB-CD1 4.48Å; F447-Y462 HydrophobicContact CB-CD2 3.96Å; F447-Y462 HydrophobicContact CB-CG 3.78Å
448	T	77	Confident	76.8	Confident	63 Å²	63	77.1 Å²	77.1	39%	0.387	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	140.5	174.6	-59.1	0	0	0	0	110.6	S455 Y462	T448-S455 WeakPolarHBondContact OG1-CB 3.48Å; T448-S455 PolarHBondContact OG1-OG 3.17Å; T448-Y462 VanDerWaalsContact O-CE2 3.28Å; T448-Y462 WeakPolarHBondContact O-CE2 3.48Å
449	C	80.7	Confident	77	Confident	0 Å²	0	81.4 Å²	81.4	0%	0	42%	0.419	C	S	.	.			trans	-91.3	113.3	169.3	175	0	0	0	0	111	Q451 C452 G453 Q454 Y462 H465 M466 H469	C449-Q451 PolarHBondContact O-N 3.35Å; C449-Q451 VanDerWaalsContact O-N 3.15Å; C449-C452 PolarHBondContact O-N 3.4Å; C449-C452 VanDerWaalsContact O-N 3.15Å; C449-C452 VanDerWaalsContact SG-SG 3.69Å; C449-G453 WeakPolarHBondContact O-CA 3.35Å; C449-G453 PolarHBondContact O-N 3.31Å; C449-Q454 PolarHBondContact N-O 3.12Å; C449-Y462 HydrophobicContact CB-CE2 4.1Å; C449-H465 VanDerWaalsContact CB-NE2 3.32Å; C449-H465 WeakPolarHBondContact CB-NE2 3.45Å; C449-H465 PolarHBondContact SG-NE2 2.84Å; C449-M466 HydrophobicContact CB-SD 4.11Å; C449-H469 VanDerWaalsContact SG-CD2 3.6Å; C449-H469 PolarHBondContact SG-NE2 3.18Å
450	D	78.3	Confident	76.8	Confident	144 Å²	144	79.6 Å²	79.6	77%	0.77	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.8	-176.8	-45.3	-60.1	0	0	0	113	C452	D450-C452 PolarHBondContact O-N 3.47Å
451	Q	76.4	Confident	76.9	Confident	136 Å²	136	75.3 Å²	75.3	64%	0.636	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-9.6	-179.1	-59.6	-176.4	-0.1	0	0	114.8	C449 H469	C449-Q451 PolarHBondContact O-N 3.35Å; C449-Q451 VanDerWaalsContact O-N 3.15Å; Q451-H469 VanDerWaalsContact OE1-CG 3.3Å
452	C	78	Confident	77.2	Confident	65 Å²	65	74 Å²	74	44%	0.439	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.7	6.1	-180	69.1	0	0	0	0	115.6	C449 D450 Q454 H465	C449-C452 PolarHBondContact O-N 3.4Å; C449-C452 VanDerWaalsContact O-N 3.15Å; C449-C452 VanDerWaalsContact SG-SG 3.69Å; D450-C452 PolarHBondContact O-N 3.47Å; C452-Q454 PolarHBondContact O-N 2.88Å; C452-Q454 VanDerWaalsContact O-N 3.11Å; C452-H465 PolarHBondContact SG-CE1 2.95Å; C452-H465 PolarHBondContact SG-NE2 3Å
453	G	75.8	Confident	77.4	Confident	52 Å²	52	69.5 Å²	69.5	54%	0.536	39%	0.394	S	S	.	.			trans	68.7	-1	-177.9	0	0	0	0	0	115.8	C449 S455	C449-G453 WeakPolarHBondContact O-CA 3.35Å; C449-G453 PolarHBondContact O-N 3.31Å; G453-S455 PolarHBondContact O-N 3.33Å
454	Q	76.8	Confident	77.3	Confident	98 Å²	98	71.1 Å²	71.1	46%	0.458	39%	0.39	S	S	.	.			trans	-75	118.1	-174.2	-164.9	173.2	31.4	0	0	111.9	C449 C452 F456 H465	C449-Q454 PolarHBondContact N-O 3.12Å; C452-Q454 PolarHBondContact O-N 2.88Å; C452-Q454 VanDerWaalsContact O-N 3.11Å; Q454-F456 HydrophobicContact CB-CE2 4.08Å; Q454-F456 HydrophobicContact CB-CZ 4.3Å; Q454-F456 HydrophobicContact CG-CE1 4.45Å; Q454-F456 HydrophobicContact CG-CE2 3.85Å; Q454-F456 HydrophobicContact CG-CZ 3.66Å; Q454-F456 WeakPolarHBondContact O-CD2 3.46Å; Q454-F456 VanDerWaalsContact O-CE2 3.31Å; Q454-F456 WeakPolarHBondContact O-CE2 3.32Å; Q454-H465 PolarHBondContact OE1-CE1 3.13Å; Q454-H465 PolarHBondContact OE1-ND1 2.8Å
455	S	80	Confident	77.4	Confident	41 Å²	41	68.1 Å²	68.1	29%	0.287	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	141.3	-179.3	-42.3	0	0	0	0	114.3	F447 T448 G453	F447-S455 CarbonylContact O-C 3.18Å; F447-S455 WeakPolarHBondContact O-CA 3.5Å; T448-S455 WeakPolarHBondContact OG1-CB 3.48Å; T448-S455 PolarHBondContact OG1-OG 3.17Å; G453-S455 PolarHBondContact O-N 3.33Å
456	F	78.1	Confident	77.1	Confident	38 Å²	38	63.9 Å²	63.9	17%	0.167	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	147.1	-176.6	-58.6	-90.7	0	0	0	112	K445 F447 Q454 Q458 A461 Y462 H465	K445-F456 CarbonylContact C-O 3.52Å; K445-F456 VanDerWaalsContact CA-O 3.3Å; K445-F456 WeakPolarHBondContact CA-O 3.35Å; F447-F456 HydrophobicContact CB-CB 4.4Å; F447-F456 WeakPolarHBondContact CD2-O 3.47Å; F447-F456 PolarHBondContact N-O 2.96Å; F447-F456 VanDerWaalsContact N-O 3.14Å; F447-F456 PolarHBondContact O-N 3.02Å; Q454-F456 HydrophobicContact CB-CE2 4.08Å; Q454-F456 HydrophobicContact CB-CZ 4.3Å; Q454-F456 HydrophobicContact CG-CE1 4.45Å; Q454-F456 HydrophobicContact CG-CE2 3.85Å; Q454-F456 HydrophobicContact CG-CZ 3.66Å; Q454-F456 WeakPolarHBondContact O-CD2 3.46Å; Q454-F456 VanDerWaalsContact O-CE2 3.31Å; Q454-F456 WeakPolarHBondContact O-CE2 3.32Å; F456-Q458 VanDerWaalsContact C-N 3.34Å; F456-A461 HydrophobicContact CB-CB 4.43Å; F456-A461 HydrophobicContact CD1-CB 3.88Å; F456-A461 HydrophobicContact CG-CB 4.41Å; F456-Y462 HydrophobicContact CD2-CD2 4.15Å; F456-H465 HydrophobicContact CE1-CB 4.17Å; F456-H465 HydrophobicContact CE2-CB 3.71Å; F456-H465 AromaticContact CE2-CD2 3.77Å; F456-H465 AromaticContact CE2-CG 3.49Å; F456-H465 VanDerWaalsContact CE2-CG 3.49Å; F456-H465 AromaticContact CE2-ND1 3.84Å; F456-H465 HydrophobicContact CZ-CB 3.45Å; F456-H465 VanDerWaalsContact CZ-CB 3.45Å; F456-H465 AromaticContact CZ-CG 3.39Å; F456-H465 AromaticContact CZ-ND1 3.45Å; F456-H465 WeakPolarHBondContact CZ-ND1 3.32Å
457	S	75	Confident	77	Confident	22 Å²	22	63.1 Å²	63.1	15%	0.154	35%	0.348	C	S	.	.	S	Bend	trans	-81.8	-10	174.9	57.3	0	0	0	0	114.1	R439 E444	R439-S457 PolarHBondContact NH1-O 2.98Å; E444-S457 WeakPolarHBondContact O-CB 3.47Å
458	Q	76.4	Confident	76.6	Confident	84 Å²	84	64.5 Å²	64.5	39%	0.393	36%	0.357	S	S	.	.			trans	-133.6	132.2	-175.4	-66.3	-178.2	38.9	0	0	112.4	L436 F447 F456 G460 A461 Y462	L436-Q458 HydrophobicContact CD1-CG 3.54Å; L436-Q458 HydrophobicContact CD2-CG 4.14Å; L436-Q458 HydrophobicContact CG-CG 4.42Å; F447-Q458 VanDerWaalsContact CD2-C 3.48Å; F456-Q458 VanDerWaalsContact C-N 3.34Å; Q458-G460 VanDerWaalsContact C-N 3.25Å; Q458-G460 PolarHBondContact O-N 2.96Å; Q458-A461 HydrophobicContact CB-CB 4.28Å; Q458-A461 PolarHBondContact O-N 2.88Å; Q458-Y462 PolarHBondContact O-N 3.25Å; Q458-Y462 VanDerWaalsContact O-N 3.09Å
459	K	78	Confident	76.3	Confident	127 Å²	127	64.7 Å²	64.7	55%	0.552	35%	0.354	S	S	*	.	H	α-helix	trans	-60.9	-31.9	175.5	-168.2	168.3	-175.8	172.2	0	113.1	F447 Y462 N463	F447-K459 HydrophobicContact CD1-CB 4.14Å; F447-K459 HydrophobicContact CD1-CG 4.3Å; F447-K459 HydrophobicContact CD2-CB 4.47Å; F447-K459 HydrophobicContact CE1-CB 3.77Å; F447-K459 HydrophobicContact CE1-CD 4.18Å; F447-K459 HydrophobicContact CE1-CG 4.09Å; F447-K459 HydrophobicContact CE2-CB 4.13Å; F447-K459 VanDerWaalsContact CE2-N 3.35Å; F447-K459 HydrophobicContact CG-CB 4.49Å; F447-K459 HydrophobicContact CZ-CB 3.77Å; K459-Y462 PolarHBondContact O-N 3.5Å; K459-N463 WeakPolarHBondContact O-CB 3.48Å; K459-N463 VanDerWaalsContact O-CG 3.25Å; K459-N463 PolarHBondContact O-N 3.42Å; K459-N463 PolarHBondContact O-OD1 3.45Å
460	G	75.1	Confident	75.7	Confident	41 Å²	41	68.4 Å²	68.4	42%	0.423	38%	0.377	S	S	.	.	H	α-helix	trans	-62.9	-46.1	175.4	0	0	0	0	0	112.6	Q458 N463 I464	Q458-G460 VanDerWaalsContact C-N 3.25Å; Q458-G460 PolarHBondContact O-N 2.96Å; G460-N463 PolarHBondContact O-N 3.27Å; G460-I464 WeakPolarHBondContact O-CB 3.3Å; G460-I464 WeakPolarHBondContact O-CD1 3.24Å; G460-I464 VanDerWaalsContact O-CG1 3.25Å; G460-I464 WeakPolarHBondContact O-CG1 3.34Å; G460-I464 PolarHBondContact O-N 3.41Å
461	A	73.6	Confident	75.3	Confident	40 Å²	40	63.5 Å²	63.5	33%	0.331	36%	0.36	S	S	.	.	H	α-helix	trans	-65.2	-42.1	176.4	0	0	0	0	0	111.8	F456 Q458 I464 H465	F456-A461 HydrophobicContact CB-CB 4.43Å; F456-A461 HydrophobicContact CD1-CB 3.88Å; F456-A461 HydrophobicContact CG-CB 4.41Å; Q458-A461 HydrophobicContact CB-CB 4.28Å; Q458-A461 PolarHBondContact O-N 2.88Å; A461-I464 PolarHBondContact O-N 2.9Å; A461-H465 WeakPolarHBondContact O-CB 3.43Å; A461-H465 PolarHBondContact O-N 3.36Å
462	Y	79.3	Confident	75	Confident	46 Å²	46	60.9 Å²	60.9	18%	0.18	35%	0.347	C	S	.	.	H	α-helix	trans	-58.7	-52.5	172.8	171.7	-98.1	0	0	0	112.5	F447 T448 C449 F456 Q458 K459 I464 H465 M466	F447-Y462 HydrophobicContact CB-CD1 4.48Å; F447-Y462 HydrophobicContact CB-CD2 3.96Å; F447-Y462 HydrophobicContact CB-CG 3.78Å; T448-Y462 VanDerWaalsContact O-CE2 3.28Å; T448-Y462 WeakPolarHBondContact O-CE2 3.48Å; C449-Y462 HydrophobicContact CB-CE2 4.1Å; F456-Y462 HydrophobicContact CD2-CD2 4.15Å; Q458-Y462 PolarHBondContact O-N 3.25Å; Q458-Y462 VanDerWaalsContact O-N 3.09Å; K459-Y462 PolarHBondContact O-N 3.5Å; Y462-I464 PolarHBondContact O-N 3.29Å; Y462-H465 CarbonylContact O-C 3.06Å; Y462-H465 WeakPolarHBondContact O-CA 3.35Å; Y462-H465 WeakPolarHBondContact O-CB 3.06Å; Y462-H465 PolarHBondContact O-N 3.24Å; Y462-M466 HydrophobicContact CD1-CG 4.29Å; Y462-M466 HydrophobicContact CD2-CG 4.49Å; Y462-M466 HydrophobicContact CD2-SD 4.49Å; Y462-M466 HydrophobicContact CE1-CG 3.82Å; Y462-M466 HydrophobicContact CE1-SD 4.43Å; Y462-M466 HydrophobicContact CE2-CG 4.04Å; Y462-M466 HydrophobicContact CE2-SD 3.72Å; Y462-M466 WeakPolarHBondContact O-CG 3.48Å; Y462-M466 PolarHBondContact O-N 3.22Å
463	N	77.8	Confident	74.8	Confident	78 Å²	78	63.5 Å²	63.5	42%	0.417	35%	0.352	S	S	.	.	H	α-helix	trans	-58.7	-34.2	178.1	-75.8	16.7	0	0	0	112.4	K459 G460	K459-N463 WeakPolarHBondContact O-CB 3.48Å; K459-N463 VanDerWaalsContact O-CG 3.25Å; K459-N463 PolarHBondContact O-N 3.42Å; K459-N463 PolarHBondContact O-OD1 3.45Å; G460-N463 PolarHBondContact O-N 3.27Å
464	I	70.3	Confident	74.7	Confident	84 Å²	84	64.4 Å²	64.4	43%	0.431	35%	0.348	S	S	.	.	H	α-helix	trans	-72.2	-39.3	175.1	-73	168	0	0	0	111.1	G460 A461 Y462 K467 H486	G460-I464 WeakPolarHBondContact O-CB 3.3Å; G460-I464 WeakPolarHBondContact O-CD1 3.24Å; G460-I464 VanDerWaalsContact O-CG1 3.25Å; G460-I464 WeakPolarHBondContact O-CG1 3.34Å; G460-I464 PolarHBondContact O-N 3.41Å; A461-I464 PolarHBondContact O-N 2.9Å; Y462-I464 PolarHBondContact O-N 3.29Å; I464-K467 PolarHBondContact O-N 3.35Å; I464-H486 WeakPolarHBondContact CG2-CE1 3.2Å; I464-H486 WeakPolarHBondContact CG2-ND1 3.46Å
465	H	77.8	Confident	74.6	Confident	11 Å²	11	64.9 Å²	64.9	5%	0.051	35%	0.346	C	S	.	.	H	α-helix	trans	-64.1	-39.1	173.5	166.3	93.3	0	0	0	112.2	C449 C452 Q454 F456 A461 Y462 K467 I468 H469	C449-H465 VanDerWaalsContact CB-NE2 3.32Å; C449-H465 WeakPolarHBondContact CB-NE2 3.45Å; C449-H465 PolarHBondContact SG-NE2 2.84Å; C452-H465 PolarHBondContact SG-CE1 2.95Å; C452-H465 PolarHBondContact SG-NE2 3Å; Q454-H465 PolarHBondContact OE1-CE1 3.13Å; Q454-H465 PolarHBondContact OE1-ND1 2.8Å; F456-H465 HydrophobicContact CE1-CB 4.17Å; F456-H465 HydrophobicContact CE2-CB 3.71Å; F456-H465 AromaticContact CE2-CD2 3.77Å; F456-H465 AromaticContact CE2-CG 3.49Å; F456-H465 VanDerWaalsContact CE2-CG 3.49Å; F456-H465 AromaticContact CE2-ND1 3.84Å; F456-H465 HydrophobicContact CZ-CB 3.45Å; F456-H465 VanDerWaalsContact CZ-CB 3.45Å; F456-H465 AromaticContact CZ-CG 3.39Å; F456-H465 AromaticContact CZ-ND1 3.45Å; F456-H465 WeakPolarHBondContact CZ-ND1 3.32Å; A461-H465 WeakPolarHBondContact O-CB 3.43Å; A461-H465 PolarHBondContact O-N 3.36Å; Y462-H465 CarbonylContact O-C 3.06Å; Y462-H465 WeakPolarHBondContact O-CA 3.35Å; Y462-H465 WeakPolarHBondContact O-CB 3.06Å; Y462-H465 PolarHBondContact O-N 3.24Å; H465-K467 PolarHBondContact O-N 3.49Å; H465-K467 VanDerWaalsContact O-N 3.1Å; H465-I468 WeakPolarHBondContact O-CA 3.21Å; H465-I468 WeakPolarHBondContact O-CB 3.28Å; H465-I468 VanDerWaalsContact O-CG1 3.23Å; H465-I468 WeakPolarHBondContact O-CG1 2.92Å; H465-I468 PolarHBondContact O-N 2.97Å; H465-H469 AromaticContact CD2-NE2 3.76Å; H465-H469 AromaticContact CE1-NE2 3.61Å; H465-H469 AromaticContact NE2-CD2 3.88Å; H465-H469 AromaticContact NE2-CE1 3.88Å; H465-H469 AromaticContact NE2-NE2 2.97Å; H465-H469 PolarHBondContact NE2-NE2 3.05Å
466	M	74.1	Confident	74	Confident	41 Å²	41	66.3 Å²	66.3	20%	0.202	35%	0.353	C	S	.	.	H	α-helix	trans	-59.4	-26.2	178.3	-66.7	-51.5	-67	0	0	113.2	C449 Y462 I468 H469 T470	C449-M466 HydrophobicContact CB-SD 4.11Å; Y462-M466 HydrophobicContact CD1-CG 4.29Å; Y462-M466 HydrophobicContact CD2-CG 4.49Å; Y462-M466 HydrophobicContact CD2-SD 4.49Å; Y462-M466 HydrophobicContact CE1-CG 3.82Å; Y462-M466 HydrophobicContact CE1-SD 4.43Å; Y462-M466 HydrophobicContact CE2-CG 4.04Å; Y462-M466 HydrophobicContact CE2-SD 3.72Å; Y462-M466 WeakPolarHBondContact O-CG 3.48Å; Y462-M466 PolarHBondContact O-N 3.22Å; M466-I468 PolarHBondContact O-N 2.98Å; M466-H469 PolarHBondContact O-N 3.44Å; M466-H469 VanDerWaalsContact O-N 3.1Å; M466-T470 PolarHBondContact O-N 3.36Å; M466-T470 VanDerWaalsContact O-N 3.08Å
467	K	75.6	Confident	73.9	Confident	57 Å²	57	64.6 Å²	64.6	25%	0.248	35%	0.346	C	S	.	.	H	α-helix	trans	-68	-12.6	172.9	-57.2	-167.9	179.3	-118	0	113.9	I464 H465 E472 P474 R485	I464-K467 PolarHBondContact O-N 3.35Å; H465-K467 PolarHBondContact O-N 3.49Å; H465-K467 VanDerWaalsContact O-N 3.1Å; K467-E472 HydrophobicContact CB-CB 4.28Å; K467-E472 HydrophobicContact CD-CB 4.38Å; K467-E472 HydrophobicContact CG-CB 4.33Å; K467-E472 IonicContact NZ-OE2 3.4Å; K467-E472 PolarHBondContact NZ-OE2 2.97Å; K467-P474 HydrophobicContact CD-CG 4.43Å; K467-R485 HydrophobicContact CB-CG 3.95Å; K467-R485 PolarHBondContact O-NE 3.05Å; K467-R485 PolarHBondContact O-NH2 3.01Å
468	I	74	Confident	73.9	Confident	87 Å²	87	70.6 Å²	70.6	45%	0.446	38%	0.376	S	S	.	.	H	α-helix	trans	-62.8	-49.2	168.1	-60.5	176	0	0	0	109.2	H465 M466 R485	H465-I468 WeakPolarHBondContact O-CA 3.21Å; H465-I468 WeakPolarHBondContact O-CB 3.28Å; H465-I468 VanDerWaalsContact O-CG1 3.23Å; H465-I468 WeakPolarHBondContact O-CG1 2.92Å; H465-I468 PolarHBondContact O-N 2.97Å; M466-I468 PolarHBondContact O-N 2.98Å; I468-R485 VanDerWaalsContact CA-CZ 3.47Å; I468-R485 PolarHBondContact O-NH2 2.8Å
469	H	71.5	Confident	73.7	Confident	66 Å²	66	72.4 Å²	72.4	31%	0.306	38%	0.384	S	S	.	.	H	α-helix	trans	-80.8	-39.4	-175.6	-48.2	-50.7	0	0	0	113.4	C449 Q451 H465 M466 G471	C449-H469 VanDerWaalsContact SG-CD2 3.6Å; C449-H469 PolarHBondContact SG-NE2 3.18Å; Q451-H469 VanDerWaalsContact OE1-CG 3.3Å; H465-H469 AromaticContact CD2-NE2 3.76Å; H465-H469 AromaticContact CE1-NE2 3.61Å; H465-H469 AromaticContact NE2-CD2 3.88Å; H465-H469 AromaticContact NE2-CE1 3.88Å; H465-H469 AromaticContact NE2-NE2 2.97Å; H465-H469 PolarHBondContact NE2-NE2 3.05Å; M466-H469 PolarHBondContact O-N 3.44Å; M466-H469 VanDerWaalsContact O-N 3.1Å; H469-G471 PolarHBondContact O-N 3.32Å; H469-G471 VanDerWaalsContact O-N 3.15Å
470	T	68.6	Low	73.6	Confident	79 Å²	79	68.8 Å²	68.8	49%	0.485	38%	0.375	S	S	.	.	S	Bend	trans	-72.2	-2.8	176.5	67.3	0	0	0	0	113.6	M466 E472	M466-T470 PolarHBondContact O-N 3.36Å; M466-T470 VanDerWaalsContact O-N 3.08Å; T470-E472 WeakPolarHBondContact CB-OE1 3.49Å; T470-E472 PolarHBondContact O-N 3.13Å; T470-E472 VanDerWaalsContact OG1-CD 3.29Å; T470-E472 WeakPolarHBondContact OG1-CG 3.35Å; T470-E472 PolarHBondContact OG1-OE1 3.34Å
471	G	68.9	Low	73.4	Confident	40 Å²	40	69.3 Å²	69.3	41%	0.412	38%	0.38	S	S	.	.			trans	69.8	-12.2	-177.6	0	0	0	0	0	115	H469 K473	H469-G471 PolarHBondContact O-N 3.32Å; H469-G471 VanDerWaalsContact O-N 3.15Å; G471-K473 PolarHBondContact O-N 3.26Å
472	E	69.9	Low	73.1	Confident	81 Å²	81	72.6 Å²	72.6	38%	0.379	39%	0.39	S	S	.	.			trans	-49.1	131.7	-173.4	-82.8	171.2	-120.7	0	0	114.4	K467 T470 P474	K467-E472 HydrophobicContact CB-CB 4.28Å; K467-E472 HydrophobicContact CD-CB 4.38Å; K467-E472 HydrophobicContact CG-CB 4.33Å; K467-E472 IonicContact NZ-OE2 3.4Å; K467-E472 PolarHBondContact NZ-OE2 2.97Å; T470-E472 WeakPolarHBondContact CB-OE1 3.49Å; T470-E472 PolarHBondContact O-N 3.13Å; T470-E472 VanDerWaalsContact OG1-CD 3.29Å; T470-E472 WeakPolarHBondContact OG1-CG 3.35Å; T470-E472 PolarHBondContact OG1-OE1 3.34Å; E472-P474 HydrophobicContact CB-CG 4.24Å
473	K	74	Confident	72.7	Confident	121 Å²	121	72.9 Å²	72.9	53%	0.526	40%	0.399	S	S	.	.			trans	-130.2	70.2	172.7	-58.8	-174.6	-164.5	172.2	0	111.1	G471 Y475 S483 F484	G471-K473 PolarHBondContact O-N 3.26Å; K473-Y475 PolarHBondContact O-N 2.84Å; K473-S483 VanDerWaalsContact CD-O 3.28Å; K473-S483 WeakPolarHBondContact CD-O 3.39Å; K473-S483 WeakPolarHBondContact O-CB 3.44Å; K473-F484 CarbonylContact C-O 3.54Å; K473-F484 VanDerWaalsContact CA-O 3.23Å; K473-F484 WeakPolarHBondContact CA-O 3.42Å
474	P	74.6	Confident	72.4	Confident	70 Å²	70	71.2 Å²	71.2	46%	0.455	39%	0.388	S	S	.	.			trans	-74.3	4.7	-166.1	-15.9	32.2	0	0	0	115.9	K467 E472	K467-P474 HydrophobicContact CD-CG 4.43Å; E472-P474 HydrophobicContact CB-CG 4.24Å
475	Y	74.5	Confident	72.2	Confident	109 Å²	109	70.6 Å²	70.6	43%	0.427	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	88.7	-176.1	-59.9	-84.1	0	0	0	109.1	K473 F484 H486	K473-Y475 PolarHBondContact O-N 2.84Å; Y475-F484 PolarHBondContact N-O 2.79Å; Y475-F484 VanDerWaalsContact N-O 3.16Å; Y475-F484 PolarHBondContact O-N 3.12Å; Y475-H486 VanDerWaalsContact CD2-C 3.48Å
476	T	66.8	Low	71.7	Confident	71 Å²	71	73.3 Å²	73.3	44%	0.436	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	147.2	175.5	43.3	0	0	0	0	111.8	M482 L490	T476-M482 CarbonylContact C-O 3.29Å; T476-L490 VanDerWaalsContact O-CD2 3.24Å; T476-L490 WeakPolarHBondContact O-CD2 3.44Å
477	C	77	Confident	71.6	Confident	1 Å²	1	72.7 Å²	72.7	1%	0.007	40%	0.397	C	S	.	.			trans	-93.5	114.1	163.5	179.4	0	0	0	0	109.3	Q479 C480 G481 M482 F484 L490 H493 M494	C477-Q479 PolarHBondContact O-N 2.86Å; C477-C480 PolarHBondContact O-N 3.11Å; C477-C480 VanDerWaalsContact SG-SG 3.66Å; C477-G481 WeakPolarHBondContact O-CA 3.44Å; C477-G481 PolarHBondContact O-N 2.83Å; C477-M482 PolarHBondContact N-O 3.31Å; C477-F484 HydrophobicContact CB-CE2 4.32Å; C477-L490 HydrophobicContact CB-CD1 3.67Å; C477-H493 WeakPolarHBondContact CB-NE2 3.46Å; C477-H493 VanDerWaalsContact SG-CD2 3.59Å; C477-H493 PolarHBondContact SG-NE2 2.91Å; C477-M494 HydrophobicContact CB-SD 4.39Å
478	D	74.6	Confident	71.3	Confident	149 Å²	149	74.3 Å²	74.3	80%	0.797	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-14.8	-175	-46.6	-48.4	0	0	0	112.8
479	Q	71.9	Confident	71.2	Confident	121 Å²	121	72.2 Å²	72.2	57%	0.565	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-14.1	179	-66.2	179.5	-18	0	0	114.2	C477 M494	C477-Q479 PolarHBondContact O-N 2.86Å; Q479-M494 HydrophobicContact CG-CE 4.43Å
480	C	75.1	Confident	71.3	Confident	51 Å²	51	70.5 Å²	70.5	35%	0.345	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.5	6.5	179.6	71.5	0	0	0	0	115.6	C477 M482 H493 H497	C477-C480 PolarHBondContact O-N 3.11Å; C477-C480 VanDerWaalsContact SG-SG 3.66Å; C480-M482 PolarHBondContact O-N 2.97Å; C480-M482 VanDerWaalsContact O-N 3.08Å; C480-H493 VanDerWaalsContact SG-CE1 3.56Å; C480-H493 PolarHBondContact SG-NE2 3.22Å; C480-H497 WeakPolarHBondContact CB-NE2 3.47Å
481	G	70.6	Confident	71.4	Confident	52 Å²	52	74.5 Å²	74.5	54%	0.536	41%	0.412	S	S	.	.			trans	72.4	-10.5	-179.3	0	0	0	0	0	115.8	C477 S483	C477-G481 WeakPolarHBondContact O-CA 3.44Å; C477-G481 PolarHBondContact O-N 2.83Å; G481-S483 PolarHBondContact O-N 3.48Å; G481-S483 VanDerWaalsContact O-N 3.17Å
482	M	68.6	Low	71.4	Confident	109 Å²	109	75.9 Å²	75.9	54%	0.537	41%	0.41	S	S	.	.			trans	-60.5	121.5	-176.7	-71.6	-164.7	-165.2	0	0	111.7	T476 C477 C480 F484	T476-M482 CarbonylContact C-O 3.29Å; C477-M482 PolarHBondContact N-O 3.31Å; C480-M482 PolarHBondContact O-N 2.97Å; C480-M482 VanDerWaalsContact O-N 3.08Å; M482-F484 HydrophobicContact CB-CE2 3.67Å; M482-F484 HydrophobicContact CB-CZ 3.83Å; M482-F484 WeakPolarHBondContact O-CD2 3.4Å; M482-F484 VanDerWaalsContact O-CE2 3.24Å; M482-F484 WeakPolarHBondContact O-CE2 3.17Å; M482-F484 HydrophobicContact SD-CZ 4.38Å
483	S	70.6	Confident	71.5	Confident	53 Å²	53	73.3 Å²	73.3	37%	0.371	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	138.6	178.8	-18.2	0	0	0	0	111.4	K473 G481	K473-S483 VanDerWaalsContact CD-O 3.28Å; K473-S483 WeakPolarHBondContact CD-O 3.39Å; K473-S483 WeakPolarHBondContact O-CB 3.44Å; G481-S483 PolarHBondContact O-N 3.48Å; G481-S483 VanDerWaalsContact O-N 3.17Å
484	F	71.7	Confident	71.1	Confident	42 Å²	42	70.2 Å²	70.2	18%	0.184	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	149.2	-178.3	-61.9	-87.1	0	0	0	112.4	K473 Y475 C477 M482 L490 H493	K473-F484 CarbonylContact C-O 3.54Å; K473-F484 VanDerWaalsContact CA-O 3.23Å; K473-F484 WeakPolarHBondContact CA-O 3.42Å; Y475-F484 PolarHBondContact N-O 2.79Å; Y475-F484 VanDerWaalsContact N-O 3.16Å; Y475-F484 PolarHBondContact O-N 3.12Å; C477-F484 HydrophobicContact CB-CE2 4.32Å; M482-F484 HydrophobicContact CB-CE2 3.67Å; M482-F484 HydrophobicContact CB-CZ 3.83Å; M482-F484 WeakPolarHBondContact O-CD2 3.4Å; M482-F484 VanDerWaalsContact O-CE2 3.24Å; M482-F484 WeakPolarHBondContact O-CE2 3.17Å; M482-F484 HydrophobicContact SD-CZ 4.38Å; F484-L490 HydrophobicContact CB-CB 4.28Å; F484-L490 HydrophobicContact CD2-CB 4.03Å; F484-L490 HydrophobicContact CD2-CD1 3.87Å; F484-L490 HydrophobicContact CE2-CD1 4.12Å; F484-L490 HydrophobicContact CG-CB 4.33Å; F484-H493 HydrophobicContact CE1-CB 4.01Å; F484-H493 HydrophobicContact CE2-CB 3.85Å; F484-H493 AromaticContact CE2-CD2 3.4Å; F484-H493 WeakPolarHBondContact CE2-CD2 3.39Å; F484-H493 AromaticContact CE2-CG 3.57Å; F484-H493 AromaticContact CE2-NE2 3.95Å; F484-H493 HydrophobicContact CZ-CB 3.48Å; F484-H493 VanDerWaalsContact CZ-CB 3.48Å; F484-H493 AromaticContact CZ-CD2 3.6Å; F484-H493 AromaticContact CZ-CG 3.27Å; F484-H493 AromaticContact CZ-ND1 3.62Å
485	R	65.4	Low	70.8	Confident	71 Å²	71	68 Å²	68	27%	0.268	37%	0.371	S	S	.	.	S	Bend	trans	-76.9	-22.2	178.6	-175.2	168.3	-72.9	154.4	-12.3	113.7	K467 I468	K467-R485 HydrophobicContact CB-CG 3.95Å; K467-R485 PolarHBondContact O-NE 3.05Å; K467-R485 PolarHBondContact O-NH2 3.01Å; I468-R485 VanDerWaalsContact CA-CZ 3.47Å; I468-R485 PolarHBondContact O-NH2 2.8Å
486	H	68.3	Low	70.4	Confident	68 Å²	68	70.4 Å²	70.4	32%	0.315	39%	0.386	S	S	.	.	S	Bend	trans	-134.2	138.7	-178.7	-41.3	-95.5	0	0	0	110.5	I464 Y475 S488 S489 L490	I464-H486 WeakPolarHBondContact CG2-CE1 3.2Å; I464-H486 WeakPolarHBondContact CG2-ND1 3.46Å; Y475-H486 VanDerWaalsContact CD2-C 3.48Å; H486-S488 PolarHBondContact O-N 2.87Å; H486-S489 WeakPolarHBondContact O-CB 3.32Å; H486-S489 PolarHBondContact O-N 3.34Å; H486-L490 PolarHBondContact O-N 3.47Å; H486-L490 VanDerWaalsContact O-N 3.12Å
487	G	70.5	Confident	70.6	Confident	29 Å²	29	71.7 Å²	71.7	30%	0.299	39%	0.387	S	S	.	.	H	α-helix	trans	-63.4	-23.2	175.5	0	0	0	0	0	113.9	K491	G487-K491 WeakPolarHBondContact O-CB 3.25Å; G487-K491 PolarHBondContact O-N 3.15Å
488	S	69.5	Low	70.1	Confident	90 Å²	90	75.3 Å²	75.3	63%	0.629	41%	0.409	S	S	*	.	H	α-helix	trans	-69.1	-35.1	170.2	49.5	0	0	0	0	112.7	H486 L492	H486-S488 PolarHBondContact O-N 2.87Å; S488-L492 WeakPolarHBondContact O-CB 3.49Å; S488-L492 PolarHBondContact O-N 3.36Å
489	S	72.4	Confident	69.5	Low	44 Å²	44	70.6 Å²	70.6	31%	0.308	40%	0.395	S	S	.	.	H	α-helix	trans	-69.9	-40.7	173.4	-53.9	0	0	0	0	111.2	H486 L492 H493	H486-S489 WeakPolarHBondContact O-CB 3.32Å; H486-S489 PolarHBondContact O-N 3.34Å; S489-L492 PolarHBondContact O-N 3.49Å; S489-H493 WeakPolarHBondContact O-CB 3.44Å; S489-H493 PolarHBondContact O-N 2.93Å
490	L	74.1	Confident	69.1	Low	30 Å²	30	70.3 Å²	70.3	16%	0.157	39%	0.394	C	S	.	.	H	α-helix	trans	-60.9	-49.5	171	174.4	61.2	0	0	0	111	T476 C477 F484 H486 L492 H493 M494	T476-L490 VanDerWaalsContact O-CD2 3.24Å; T476-L490 WeakPolarHBondContact O-CD2 3.44Å; C477-L490 HydrophobicContact CB-CD1 3.67Å; F484-L490 HydrophobicContact CB-CB 4.28Å; F484-L490 HydrophobicContact CD2-CB 4.03Å; F484-L490 HydrophobicContact CD2-CD1 3.87Å; F484-L490 HydrophobicContact CE2-CD1 4.12Å; F484-L490 HydrophobicContact CG-CB 4.33Å; H486-L490 PolarHBondContact O-N 3.47Å; H486-L490 VanDerWaalsContact O-N 3.12Å; L490-L492 VanDerWaalsContact C-N 3.29Å; L490-L492 PolarHBondContact O-N 3.25Å; L490-H493 CarbonylContact O-C 3.54Å; L490-H493 WeakPolarHBondContact O-CA 3.32Å; L490-H493 WeakPolarHBondContact O-CB 3.44Å; L490-H493 PolarHBondContact O-N 3.48Å; L490-M494 HydrophobicContact CD1-CG 4.33Å; L490-M494 HydrophobicContact CD1-SD 3.92Å; L490-M494 HydrophobicContact CG-CG 4.5Å; L490-M494 WeakPolarHBondContact O-CG 3.45Å; L490-M494 PolarHBondContact O-N 3.15Å
491	K	70.6	Confident	68.8	Low	163 Å²	163	74 Å²	74	71%	0.709	40%	0.404	S	S	*	.	H	α-helix	trans	-60	-37.7	179.4	-174.6	168.5	-177.3	172.5	0	112.6	G487 M494	G487-K491 WeakPolarHBondContact O-CB 3.25Å; G487-K491 PolarHBondContact O-N 3.15Å; K491-M494 PolarHBondContact O-N 3.12Å
492	L	67.8	Low	68.7	Low	68 Å²	68	75.3 Å²	75.3	36%	0.356	40%	0.403	S	S	.	.	H	α-helix	trans	-66.2	-39	171.8	177.4	56.9	0	0	0	112.1	S488 S489 L490 T495 T514 F517	S488-L492 WeakPolarHBondContact O-CB 3.49Å; S488-L492 PolarHBondContact O-N 3.36Å; S489-L492 PolarHBondContact O-N 3.49Å; L490-L492 VanDerWaalsContact C-N 3.29Å; L490-L492 PolarHBondContact O-N 3.25Å; L492-T495 PolarHBondContact O-N 3.26Å; L492-T495 PolarHBondContact O-OG1 3.46Å; L492-T514 WeakPolarHBondContact CD1-OG1 3.43Å; L492-F517 HydrophobicContact CD2-CE2 4.48Å
493	H	72.5	Confident	68.8	Low	28 Å²	28	73.8 Å²	73.8	13%	0.13	39%	0.394	C	S	.	.	H	α-helix	trans	-66.9	-34.6	175.8	168.4	76.8	0	0	0	112.6	C477 C480 F484 S489 L490 T495 H496 H497	C477-H493 WeakPolarHBondContact CB-NE2 3.46Å; C477-H493 VanDerWaalsContact SG-CD2 3.59Å; C477-H493 PolarHBondContact SG-NE2 2.91Å; C480-H493 VanDerWaalsContact SG-CE1 3.56Å; C480-H493 PolarHBondContact SG-NE2 3.22Å; F484-H493 HydrophobicContact CE1-CB 4.01Å; F484-H493 HydrophobicContact CE2-CB 3.85Å; F484-H493 AromaticContact CE2-CD2 3.4Å; F484-H493 WeakPolarHBondContact CE2-CD2 3.39Å; F484-H493 AromaticContact CE2-CG 3.57Å; F484-H493 AromaticContact CE2-NE2 3.95Å; F484-H493 HydrophobicContact CZ-CB 3.48Å; F484-H493 VanDerWaalsContact CZ-CB 3.48Å; F484-H493 AromaticContact CZ-CD2 3.6Å; F484-H493 AromaticContact CZ-CG 3.27Å; F484-H493 AromaticContact CZ-ND1 3.62Å; S489-H493 WeakPolarHBondContact O-CB 3.44Å; S489-H493 PolarHBondContact O-N 2.93Å; L490-H493 CarbonylContact O-C 3.54Å; L490-H493 WeakPolarHBondContact O-CA 3.32Å; L490-H493 WeakPolarHBondContact O-CB 3.44Å; L490-H493 PolarHBondContact O-N 3.48Å; H493-T495 VanDerWaalsContact C-N 3.26Å; H493-T495 PolarHBondContact O-N 2.76Å; H493-H496 WeakPolarHBondContact O-CA 3.46Å; H493-H496 WeakPolarHBondContact O-CB 3.4Å; H493-H496 PolarHBondContact O-N 3.28Å; H493-H497 AromaticContact NE2-CD2 3.78Å
494	M	66.2	Low	68.9	Low	55 Å²	55	77.5 Å²	77.5	27%	0.271	41%	0.405	S	S	.	.	H	α-helix	trans	-59.8	-32.8	174.8	-62.3	-48.3	-63.5	0	0	112.9	C477 Q479 L490 K491 H496 H497 T498	C477-M494 HydrophobicContact CB-SD 4.39Å; Q479-M494 HydrophobicContact CG-CE 4.43Å; L490-M494 HydrophobicContact CD1-CG 4.33Å; L490-M494 HydrophobicContact CD1-SD 3.92Å; L490-M494 HydrophobicContact CG-CG 4.5Å; L490-M494 WeakPolarHBondContact O-CG 3.45Å; L490-M494 PolarHBondContact O-N 3.15Å; K491-M494 PolarHBondContact O-N 3.12Å; M494-H496 PolarHBondContact O-N 3.13Å; M494-H496 VanDerWaalsContact O-N 3.12Å; M494-H497 PolarHBondContact O-N 2.92Å; M494-T498 PolarHBondContact O-N 2.86Å; M494-T498 PolarHBondContact O-OG1 3.04Å
495	T	69.1	Low	69	Low	23 Å²	23	76 Å²	76	14%	0.141	40%	0.4	C	S	.	.	H	α-helix	trans	-62.9	-20.3	175.2	74.2	0	0	0	0	112.5	L492 H493 H497 T498 G499 S513	L492-T495 PolarHBondContact O-N 3.26Å; L492-T495 PolarHBondContact O-OG1 3.46Å; H493-T495 VanDerWaalsContact C-N 3.26Å; H493-T495 PolarHBondContact O-N 2.76Å; T495-H497 VanDerWaalsContact C-N 3.35Å; T495-T498 WeakPolarHBondContact CA-OG1 3.47Å; T495-G499 PolarHBondContact O-N 3.12Å; T495-G499 VanDerWaalsContact O-N 3.11Å; T495-S513 WeakPolarHBondContact OG1-CB 3.45Å
496	H	65.4	Low	69.4	Low	160 Å²	160	78.1 Å²	78.1	74%	0.741	42%	0.416	S	S	*	.	H	α-helix	trans	-77.2	-22.6	176.9	-127	-49.9	0	0	0	112.7	H493 M494	H493-H496 WeakPolarHBondContact O-CA 3.46Å; H493-H496 WeakPolarHBondContact O-CB 3.4Å; H493-H496 PolarHBondContact O-N 3.28Å; M494-H496 PolarHBondContact O-N 3.13Å; M494-H496 VanDerWaalsContact O-N 3.12Å
497	H	70.3	Confident	69.4	Low	99 Å²	99	79.4 Å²	79.4	46%	0.458	42%	0.422	S	S	.	.	H	α-helix	trans	-90.8	-40.6	172.8	-67.9	-62.4	0	0	0	112.4	C480 H493 M494 T495 G499	C480-H497 WeakPolarHBondContact CB-NE2 3.47Å; H493-H497 AromaticContact NE2-CD2 3.78Å; M494-H497 PolarHBondContact O-N 2.92Å; T495-H497 VanDerWaalsContact C-N 3.35Å; H497-G499 VanDerWaalsContact C-N 3.25Å; H497-G499 PolarHBondContact O-N 3.13Å
498	T	66.4	Low	69.6	Low	76 Å²	76	79.6 Å²	79.6	47%	0.466	42%	0.419	S	S	.	.	H	α-helix	trans	-74.9	-14.8	177.2	62.2	0	0	0	0	113.3	M494 T495 E500	M494-T498 PolarHBondContact O-N 2.86Å; M494-T498 PolarHBondContact O-OG1 3.04Å; T495-T498 WeakPolarHBondContact CA-OG1 3.47Å; T498-E500 PolarHBondContact O-N 3.28Å; T498-E500 VanDerWaalsContact O-N 3.15Å; T498-E500 WeakPolarHBondContact OG1-CG 3.49Å; T498-E500 PolarHBondContact OG1-N 3.22Å
499	G	62.2	Low	69.5	Low	50 Å²	50	83.1 Å²	83.1	52%	0.515	43%	0.431	S	S	.	.			trans	72.4	-4.1	-175.4	0	0	0	0	0	114.4	T495 H497 K501	T495-G499 PolarHBondContact O-N 3.12Å; T495-G499 VanDerWaalsContact O-N 3.11Å; H497-G499 VanDerWaalsContact C-N 3.25Å; H497-G499 PolarHBondContact O-N 3.13Å; G499-K501 PolarHBondContact O-N 2.88Å
500	E	63.8	Low	69.4	Low	115 Å²	115	86.4 Å²	86.4	54%	0.537	44%	0.44	S	S	.	.			trans	-59.3	124.7	-175.6	-72.9	175.7	-177.3	0	0	112.1	T498	T498-E500 PolarHBondContact O-N 3.28Å; T498-E500 VanDerWaalsContact O-N 3.15Å; T498-E500 WeakPolarHBondContact OG1-CG 3.49Å; T498-E500 PolarHBondContact OG1-N 3.22Å
501	K	68.6	Low	68.8	Low	130 Å²	130	87.7 Å²	87.7	57%	0.565	45%	0.45	S	S	*	.			trans	-127.2	71.6	174.9	-70.2	165.3	175.8	178.1	0	110	G499 F503 C511 Y512	G499-K501 PolarHBondContact O-N 2.88Å; K501-F503 PolarHBondContact O-N 3.48Å; K501-C511 HydrophobicContact CB-CB 3.63Å; K501-C511 HydrophobicContact CD-CB 4.21Å; K501-C511 WeakPolarHBondContact CD-O 3.25Å; K501-Y512 CarbonylContact C-O 3.51Å; K501-Y512 VanDerWaalsContact CA-O 3.28Å; K501-Y512 WeakPolarHBondContact CA-O 3.29Å
502	P	68.7	Low	68.8	Low	79 Å²	79	82.6 Å²	82.6	51%	0.513	43%	0.427	S	S	.	.			trans	-66.1	-14.9	-169.3	-21.1	34.4	0	0	0	114.5
503	F	70.9	Confident	68.6	Low	77 Å²	77	81 Å²	81	34%	0.338	42%	0.422	S	S	.	.	B	Isolated β-bridge	trans	-101.9	87	-173.8	-56.2	-79.6	0	0	0	109.7	K501 Y512 T514 A515 L518	K501-F503 PolarHBondContact O-N 3.48Å; F503-Y512 WeakPolarHBondContact CB-O 3.44Å; F503-Y512 WeakPolarHBondContact CD2-O 3.28Å; F503-Y512 PolarHBondContact N-O 3.42Å; F503-Y512 VanDerWaalsContact N-O 3.11Å; F503-Y512 PolarHBondContact O-N 3.38Å; F503-T514 VanDerWaalsContact CD2-C 3.43Å; F503-T514 VanDerWaalsContact CD2-CA 3.44Å; F503-A515 HydrophobicContact CD1-CB 3.84Å; F503-A515 HydrophobicContact CE1-CB 3.7Å; F503-A515 HydrophobicContact CG-CB 4.41Å; F503-A515 HydrophobicContact CZ-CB 4.15Å; F503-L518 HydrophobicContact CB-CB 4.08Å; F503-L518 HydrophobicContact CB-CD2 3.9Å
504	H	71.8	Confident	68.2	Low	130 Å²	130	81.6 Å²	81.6	60%	0.602	43%	0.427	S	S	*	.			trans	-67.9	151.4	172.3	53.4	-97	0	0	0	111.3	L518	H504-L518 WeakPolarHBondContact O-CD1 3.03Å; H504-L518 VanDerWaalsContact O-CD2 3.25Å; H504-L518 WeakPolarHBondContact O-CD2 3.15Å
505	C	75.3	Confident	68.3	Low	12 Å²	12	81.4 Å²	81.4	8%	0.081	43%	0.434	C	S	.	.			trans	-89.1	136.7	165.1	174.4	0	0	0	0	108.6	Q507 C508 K510 L518 H521 M522	C505-Q507 PolarHBondContact SG-N 2.46Å; C505-Q507 VanDerWaalsContact SG-N 3.38Å; C505-C508 WeakPolarHBondContact CB-O 3.27Å; C505-C508 PolarHBondContact SG-N 2.6Å; C505-C508 VanDerWaalsContact SG-N 3.38Å; C505-K510 WeakPolarHBondContact CB-O 3.41Å; C505-K510 PolarHBondContact N-O 3Å; C505-K510 VanDerWaalsContact N-O 3.16Å; C505-L518 HydrophobicContact CB-CD1 3.95Å; C505-H521 PolarHBondContact SG-NE2 3.31Å; C505-H521 VanDerWaalsContact SG-NE2 3.4Å; C505-M522 HydrophobicContact CB-CE 4.19Å; C505-M522 WeakPolarHBondContact SG-CE 3.17Å
506	D	73.4	Confident	68.3	Low	115 Å²	115	85.4 Å²	85.4	62%	0.615	45%	0.454	S	S	*	.	S	Bend	trans	-75.5	-25.8	176	59	-30.4	0	0	0	112.3	M522	D506-M522 WeakPolarHBondContact OD1-CE 3.11Å; D506-M522 VanDerWaalsContact OD1-SD 3.42Å
507	Q	67.1	Low	68.4	Low	94 Å²	94	82.7 Å²	82.7	44%	0.439	44%	0.44	S	S	.	.	S	Bend	trans	-107.9	-0.5	-171.7	-70.1	162.8	51.6	0	0	114.4	C505 H525	C505-Q507 PolarHBondContact SG-N 2.46Å; C505-Q507 VanDerWaalsContact SG-N 3.38Å; Q507-H525 PolarHBondContact O-NE2 3.14Å; Q507-H525 VanDerWaalsContact OE1-CB 3.22Å
508	C	76.1	Confident	68.4	Low	33 Å²	33	79.5 Å²	79.5	22%	0.223	43%	0.427	C	S	.	.	S	Bend	trans	-170.3	167.7	164	66.9	0	0	0	0	111.3	C505 K510 H521 H525	C505-C508 WeakPolarHBondContact CB-O 3.27Å; C505-C508 PolarHBondContact SG-N 2.6Å; C505-C508 VanDerWaalsContact SG-N 3.38Å; C508-K510 PolarHBondContact O-N 3.46Å; C508-H521 PolarHBondContact SG-NE2 2.61Å; C508-H521 VanDerWaalsContact SG-NE2 3.35Å; C508-H525 VanDerWaalsContact CB-NE2 3.33Å; C508-H525 WeakPolarHBondContact CB-NE2 3.21Å; C508-H525 PolarHBondContact SG-NE2 3.36Å
509	D	67.3	Low	68.6	Low	165 Å²	165	82.8 Å²	82.8	88%	0.882	43%	0.434	S	S	*	.	S	Bend	trans	-69.7	15.5	-172.1	-42.9	-75.3	0	0	0	115.9	C511	D509-C511 PolarHBondContact O-N 3.47Å
510	K	69.1	Low	68.8	Low	113 Å²	113	83.3 Å²	83.3	49%	0.491	43%	0.425	S	S	.	.			trans	-84.3	108.6	-176.3	-68.2	175.2	-170.7	155.5	0	111.1	C505 C508 Y512	C505-K510 WeakPolarHBondContact CB-O 3.41Å; C505-K510 PolarHBondContact N-O 3Å; C505-K510 VanDerWaalsContact N-O 3.16Å; C508-K510 PolarHBondContact O-N 3.46Å; K510-Y512 HydrophobicContact CB-CE2 3.66Å; K510-Y512 WeakPolarHBondContact O-CD2 3.45Å; K510-Y512 WeakPolarHBondContact O-CE2 3.4Å
511	C	62.3	Low	69.1	Low	57 Å²	57	78.5 Å²	78.5	39%	0.385	40%	0.403	S	S	.	.			trans	-95	144.3	174.7	-59.4	0	0	0	0	112.1	K501 D509	K501-C511 HydrophobicContact CB-CB 3.63Å; K501-C511 HydrophobicContact CD-CB 4.21Å; K501-C511 WeakPolarHBondContact CD-O 3.25Å; D509-C511 PolarHBondContact O-N 3.47Å
512	Y	70.9	Confident	69	Low	55 Å²	55	74.4 Å²	74.4	22%	0.216	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-126	149	-174.5	-65.5	-88.6	0	0	0	112.2	K501 F503 K510 T514 F517 L518 H521	K501-Y512 CarbonylContact C-O 3.51Å; K501-Y512 VanDerWaalsContact CA-O 3.28Å; K501-Y512 WeakPolarHBondContact CA-O 3.29Å; F503-Y512 WeakPolarHBondContact CB-O 3.44Å; F503-Y512 WeakPolarHBondContact CD2-O 3.28Å; F503-Y512 PolarHBondContact N-O 3.42Å; F503-Y512 VanDerWaalsContact N-O 3.11Å; F503-Y512 PolarHBondContact O-N 3.38Å; K510-Y512 HydrophobicContact CB-CE2 3.66Å; K510-Y512 WeakPolarHBondContact O-CD2 3.45Å; K510-Y512 WeakPolarHBondContact O-CE2 3.4Å; Y512-T514 VanDerWaalsContact C-N 3.3Å; Y512-T514 PolarHBondContact O-N 3.32Å; Y512-F517 HydrophobicContact CD1-CB 3.67Å; Y512-F517 HydrophobicContact CE1-CB 4.49Å; Y512-F517 HydrophobicContact CG-CB 4.22Å; Y512-L518 HydrophobicContact CD2-CB 4.29Å; Y512-L518 HydrophobicContact CD2-CD1 4.16Å; Y512-L518 HydrophobicContact CG-CB 4.47Å; Y512-H521 HydrophobicContact CE1-CB 4.31Å; Y512-H521 HydrophobicContact CE2-CB 3.95Å; Y512-H521 AromaticContact CE2-CD2 3.24Å; Y512-H521 WeakPolarHBondContact CE2-CD2 3.18Å; Y512-H521 AromaticContact CE2-CG 3.76Å; Y512-H521 AromaticContact CZ-CD2 3.56Å; Y512-H521 AromaticContact CZ-CG 3.62Å; Y512-H521 PolarHBondContact OH-CD2 2.9Å; Y512-H521 VanDerWaalsContact OH-CD2 3.28Å
513	S	62.6	Low	69	Low	35 Å²	35	73.4 Å²	73.4	25%	0.245	37%	0.374	C	S	.	.	S	Bend	trans	-78.8	-6.8	175.6	50.4	0	0	0	0	114.1	T495	T495-S513 WeakPolarHBondContact OG1-CB 3.45Å
514	T	65	Low	68.7	Low	41 Å²	41	72.3 Å²	72.3	25%	0.252	37%	0.374	S	S	.	.	S	Bend	trans	-150.5	138.9	178.7	-34.8	0	0	0	0	112.2	L492 F503 Y512 L516 F517 L518	L492-T514 WeakPolarHBondContact CD1-OG1 3.43Å; F503-T514 VanDerWaalsContact CD2-C 3.43Å; F503-T514 VanDerWaalsContact CD2-CA 3.44Å; Y512-T514 VanDerWaalsContact C-N 3.3Å; Y512-T514 PolarHBondContact O-N 3.32Å; T514-L516 HydrophobicContact CG2-CB 4.35Å; T514-L516 PolarHBondContact O-N 2.99Å; T514-F517 PolarHBondContact O-N 2.93Å; T514-L518 PolarHBondContact O-N 2.99Å; T514-L518 VanDerWaalsContact O-N 3.11Å
515	A	68	Low	68.5	Low	50 Å²	50	69.5 Å²	69.5	41%	0.413	36%	0.361	S	S	.	.	H	α-helix	trans	-51.4	-29.4	172.1	0	0	0	0	0	114.3	F503 K519	F503-A515 HydrophobicContact CD1-CB 3.84Å; F503-A515 HydrophobicContact CE1-CB 3.7Å; F503-A515 HydrophobicContact CG-CB 4.41Å; F503-A515 HydrophobicContact CZ-CB 4.15Å; A515-K519 VanDerWaalsContact O-CB 3.23Å; A515-K519 WeakPolarHBondContact O-CB 3.49Å; A515-K519 PolarHBondContact O-N 3.37Å
516	L	69.1	Low	68	Low	108 Å²	108	73.4 Å²	73.4	57%	0.565	38%	0.381	S	S	*	.	H	α-helix	trans	-69.7	-37.8	175.4	-178	60.7	0	0	0	112.6	T514 K519 N520	T514-L516 HydrophobicContact CG2-CB 4.35Å; T514-L516 PolarHBondContact O-N 2.99Å; L516-K519 PolarHBondContact O-N 3.14Å; L516-N520 WeakPolarHBondContact O-CB 3.4Å; L516-N520 VanDerWaalsContact O-CG 3.27Å; L516-N520 PolarHBondContact O-N 3.41Å; L516-N520 PolarHBondContact O-ND2 2.98Å
517	F	68.1	Low	67.2	Low	102 Å²	102	75.9 Å²	75.9	45%	0.447	39%	0.386	S	S	.	.	H	α-helix	trans	-71.8	-41	175.4	-69	-62.7	0	0	0	111.1	L492 Y512 T514 N520 H521	L492-F517 HydrophobicContact CD2-CE2 4.48Å; Y512-F517 HydrophobicContact CD1-CB 3.67Å; Y512-F517 HydrophobicContact CE1-CB 4.49Å; Y512-F517 HydrophobicContact CG-CB 4.22Å; T514-F517 PolarHBondContact O-N 2.93Å; F517-N520 PolarHBondContact O-N 3.26Å; F517-H521 WeakPolarHBondContact O-CB 3.4Å; F517-H521 PolarHBondContact O-N 3.21Å
518	L	70.1	Confident	66.6	Low	32 Å²	32	78.3 Å²	78.3	17%	0.168	40%	0.402	C	S	.	.	H	α-helix	trans	-56.7	-50.1	169.5	176.1	61.5	0	0	0	110.9	F503 H504 C505 Y512 T514 N520 H521 M522	F503-L518 HydrophobicContact CB-CB 4.08Å; F503-L518 HydrophobicContact CB-CD2 3.9Å; H504-L518 WeakPolarHBondContact O-CD1 3.03Å; H504-L518 VanDerWaalsContact O-CD2 3.25Å; H504-L518 WeakPolarHBondContact O-CD2 3.15Å; C505-L518 HydrophobicContact CB-CD1 3.95Å; Y512-L518 HydrophobicContact CD2-CB 4.29Å; Y512-L518 HydrophobicContact CD2-CD1 4.16Å; Y512-L518 HydrophobicContact CG-CB 4.47Å; T514-L518 PolarHBondContact O-N 2.99Å; T514-L518 VanDerWaalsContact O-N 3.11Å; L518-N520 VanDerWaalsContact C-N 3.28Å; L518-N520 PolarHBondContact O-N 3.46Å; L518-H521 CarbonylContact O-C 3.59Å; L518-H521 WeakPolarHBondContact O-CA 3.26Å; L518-H521 WeakPolarHBondContact O-CB 3.5Å; L518-H521 PolarHBondContact O-N 3.29Å; L518-M522 HydrophobicContact CD1-CE 3.98Å; L518-M522 HydrophobicContact CD1-CG 4.4Å; L518-M522 HydrophobicContact CG-CG 4.46Å; L518-M522 WeakPolarHBondContact O-CG 3.45Å; L518-M522 PolarHBondContact O-N 2.97Å
519	K	69.7	Low	65.7	Low	145 Å²	145	81.4 Å²	81.4	63%	0.63	41%	0.413	S	S	*	.	H	α-helix	trans	-62.3	-31.1	179	-173.3	166.7	-175	167.4	0	113.6	A515 L516	A515-K519 VanDerWaalsContact O-CB 3.23Å; A515-K519 WeakPolarHBondContact O-CB 3.49Å; A515-K519 PolarHBondContact O-N 3.37Å; L516-K519 PolarHBondContact O-N 3.14Å
520	N	66.6	Low	65.5	Low	61 Å²	61	77 Å²	77	33%	0.326	39%	0.389	S	S	.	.	H	α-helix	trans	-75.8	-28.6	172.1	-72.9	-19.7	0	0	0	112.5	L516 F517 L518	L516-N520 WeakPolarHBondContact O-CB 3.4Å; L516-N520 VanDerWaalsContact O-CG 3.27Å; L516-N520 PolarHBondContact O-N 3.41Å; L516-N520 PolarHBondContact O-ND2 2.98Å; F517-N520 PolarHBondContact O-N 3.26Å; L518-N520 VanDerWaalsContact C-N 3.28Å; L518-N520 PolarHBondContact O-N 3.46Å
521	H	70.9	Confident	65.3	Low	14 Å²	14	74.9 Å²	74.9	7%	0.065	38%	0.379	C	S	.	.	H	α-helix	trans	-76.5	-34.6	172.9	173.2	43.3	0	0	0	112.9	C505 C508 Y512 F517 L518 K523 T524 H525	C505-H521 PolarHBondContact SG-NE2 3.31Å; C505-H521 VanDerWaalsContact SG-NE2 3.4Å; C508-H521 PolarHBondContact SG-NE2 2.61Å; C508-H521 VanDerWaalsContact SG-NE2 3.35Å; Y512-H521 HydrophobicContact CE1-CB 4.31Å; Y512-H521 HydrophobicContact CE2-CB 3.95Å; Y512-H521 AromaticContact CE2-CD2 3.24Å; Y512-H521 WeakPolarHBondContact CE2-CD2 3.18Å; Y512-H521 AromaticContact CE2-CG 3.76Å; Y512-H521 AromaticContact CZ-CD2 3.56Å; Y512-H521 AromaticContact CZ-CG 3.62Å; Y512-H521 PolarHBondContact OH-CD2 2.9Å; Y512-H521 VanDerWaalsContact OH-CD2 3.28Å; F517-H521 WeakPolarHBondContact O-CB 3.4Å; F517-H521 PolarHBondContact O-N 3.21Å; L518-H521 CarbonylContact O-C 3.59Å; L518-H521 WeakPolarHBondContact O-CA 3.26Å; L518-H521 WeakPolarHBondContact O-CB 3.5Å; L518-H521 PolarHBondContact O-N 3.29Å; H521-K523 PolarHBondContact O-N 2.82Å; H521-T524 PolarHBondContact ND1-OG1 3.22Å; H521-T524 WeakPolarHBondContact O-CA 3.24Å; H521-T524 WeakPolarHBondContact O-CB 3.5Å; H521-T524 PolarHBondContact O-N 3.35Å; H521-T524 PolarHBondContact O-OG1 3.19Å; H521-H525 AromaticContact CE1-CD2 3.83Å; H521-H525 AromaticContact NE2-CD2 3.99Å
522	M	65.6	Low	65.1	Low	45 Å²	45	75.3 Å²	75.3	22%	0.222	38%	0.382	C	S	.	.	H	α-helix	trans	-53.7	-38	170.9	-69.7	-72.5	99.6	0	0	112.2	C505 D506 L518 T524 H525 N526	C505-M522 HydrophobicContact CB-CE 4.19Å; C505-M522 WeakPolarHBondContact SG-CE 3.17Å; D506-M522 WeakPolarHBondContact OD1-CE 3.11Å; D506-M522 VanDerWaalsContact OD1-SD 3.42Å; L518-M522 HydrophobicContact CD1-CE 3.98Å; L518-M522 HydrophobicContact CD1-CG 4.4Å; L518-M522 HydrophobicContact CG-CG 4.46Å; L518-M522 WeakPolarHBondContact O-CG 3.45Å; L518-M522 PolarHBondContact O-N 2.97Å; M522-T524 PolarHBondContact O-N 2.85Å; M522-T524 VanDerWaalsContact O-N 3.13Å; M522-H525 PolarHBondContact O-N 3.32Å; M522-H525 VanDerWaalsContact O-N 3.08Å; M522-N526 PolarHBondContact O-N 3.31Å; M522-N526 VanDerWaalsContact O-N 3.16Å
523	K	68.3	Low	65.2	Low	57 Å²	57	72.8 Å²	72.8	25%	0.248	37%	0.372	C	S	.	.	H	α-helix	trans	-65.2	-8.5	172	-69.4	172.3	167.4	-93.7	0	114.9	H521	H521-K523 PolarHBondContact O-N 2.82Å
524	T	64.4	Low	65.5	Low	55 Å²	55	79 Å²	79	34%	0.337	40%	0.402	S	S	.	.	H	α-helix	trans	-95.1	-12.1	173.6	69.2	0	0	0	0	113.1	H521 M522 N541	H521-T524 PolarHBondContact ND1-OG1 3.22Å; H521-T524 WeakPolarHBondContact O-CA 3.24Å; H521-T524 WeakPolarHBondContact O-CB 3.5Å; H521-T524 PolarHBondContact O-N 3.35Å; H521-T524 PolarHBondContact O-OG1 3.19Å; M522-T524 PolarHBondContact O-N 2.85Å; M522-T524 VanDerWaalsContact O-N 3.13Å; T524-N541 HydrophobicContact CG2-CB 4.04Å
525	H	67.9	Low	65.4	Low	71 Å²	71	81.9 Å²	81.9	33%	0.329	42%	0.42	S	S	.	.	H	α-helix	trans	-91.2	-45.4	168	-62.9	-72.6	0	0	0	111.1	Q507 C508 H521 M522 K527	Q507-H525 PolarHBondContact O-NE2 3.14Å; Q507-H525 VanDerWaalsContact OE1-CB 3.22Å; C508-H525 VanDerWaalsContact CB-NE2 3.33Å; C508-H525 WeakPolarHBondContact CB-NE2 3.21Å; C508-H525 PolarHBondContact SG-NE2 3.36Å; H521-H525 AromaticContact CE1-CD2 3.83Å; H521-H525 AromaticContact NE2-CD2 3.99Å; M522-H525 PolarHBondContact O-N 3.32Å; M522-H525 VanDerWaalsContact O-N 3.08Å; H525-K527 PolarHBondContact O-N 3.1Å
526	N	65.1	Low	65.5	Low	94 Å²	94	82.1 Å²	82.1	50%	0.503	42%	0.417	S	S	.	.			trans	-69.2	98.4	172.5	-73.5	23.9	0	0	0	110.8	M522 D528	M522-N526 PolarHBondContact O-N 3.31Å; M522-N526 VanDerWaalsContact O-N 3.16Å; N526-D528 PolarHBondContact O-N 2.94Å; N526-D528 VanDerWaalsContact O-N 3.11Å
527	K	57	Low	65.3	Low	167 Å²	167	79.6 Å²	79.6	73%	0.726	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-63	-12.8	177.6	-66.8	177.4	-178.8	172.9	0	113.5	H525 Q529 I530	H525-K527 PolarHBondContact O-N 3.1Å; K527-Q529 VanDerWaalsContact C-N 3.28Å; K527-Q529 PolarHBondContact O-N 3.45Å; K527-I530 HydrophobicContact CB-CD1 4.36Å; K527-I530 VanDerWaalsContact O-CD1 3.25Å; K527-I530 WeakPolarHBondContact O-CD1 3.26Å; K527-I530 VanDerWaalsContact O-CG1 3.22Å; K527-I530 WeakPolarHBondContact O-CG1 3.47Å; K527-I530 PolarHBondContact O-N 2.92Å
528	D	55.4	Low	65.3	Low	144 Å²	144	80.8 Å²	80.8	77%	0.77	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-79.9	-2.2	-173.5	-39.4	-62.9	0	0	0	114.4	N526	N526-D528 PolarHBondContact O-N 2.94Å; N526-D528 VanDerWaalsContact O-N 3.11Å
529	Q	56.2	Low	65	Low	99 Å²	99	83.5 Å²	83.5	46%	0.463	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-119.4	44	169.6	-67.6	-159	-16.7	0	0	112.9	K527 Y531	K527-Q529 VanDerWaalsContact C-N 3.28Å; K527-Q529 PolarHBondContact O-N 3.45Å; Q529-Y531 WeakPolarHBondContact O-CD2 3.39Å; Q529-Y531 WeakPolarHBondContact O-CE2 3.39Å; Q529-Y531 PolarHBondContact O-N 3.4Å
530	I	62.7	Low	64.9	Low	73 Å²	73	78.6 Å²	78.6	37%	0.374	42%	0.42	S	S	.	.			trans	-71.9	120.8	165.3	-74	167.1	0	0	0	109.8	K527 T539	K527-I530 HydrophobicContact CB-CD1 4.36Å; K527-I530 VanDerWaalsContact O-CD1 3.25Å; K527-I530 WeakPolarHBondContact O-CD1 3.26Å; K527-I530 VanDerWaalsContact O-CG1 3.22Å; K527-I530 WeakPolarHBondContact O-CG1 3.47Å; K527-I530 PolarHBondContact O-N 2.92Å; I530-T539 VanDerWaalsContact CG2-CB 3.42Å; I530-T539 HydrophobicContact CG2-CG2 3.41Å; I530-T539 VanDerWaalsContact CG2-CG2 3.41Å
531	Y	65.1	Low	64.6	Low	68 Å²	68	79.1 Å²	79.1	27%	0.267	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	110.2	172.2	-59.8	-84.4	0	0	0	109.2	Q529 F540 L543	Q529-Y531 WeakPolarHBondContact O-CD2 3.39Å; Q529-Y531 WeakPolarHBondContact O-CE2 3.39Å; Q529-Y531 PolarHBondContact O-N 3.4Å; Y531-F540 WeakPolarHBondContact CB-O 3.45Å; Y531-F540 WeakPolarHBondContact CD2-O 3.38Å; Y531-F540 PolarHBondContact N-O 3.03Å; Y531-F540 PolarHBondContact O-N 3.34Å; Y531-L543 HydrophobicContact CD1-CB 4.05Å; Y531-L543 HydrophobicContact CD1-CD1 3.9Å; Y531-L543 HydrophobicContact CD1-CG 4.46Å; Y531-L543 HydrophobicContact CD2-CB 4.18Å; Y531-L543 VanDerWaalsContact CD2-N 3.33Å; Y531-L543 HydrophobicContact CE1-CB 3.88Å; Y531-L543 HydrophobicContact CE1-CD1 4.21Å; Y531-L543 HydrophobicContact CE1-CD2 4.37Å; Y531-L543 HydrophobicContact CE1-CG 4.37Å; Y531-L543 HydrophobicContact CE2-CB 4.01Å; Y531-L543 HydrophobicContact CG-CB 4.2Å; Y531-L543 HydrophobicContact CG-CD1 4.45Å
532	S	58.5	Low	64.3	Low	66 Å²	66	81.7 Å²	81.7	46%	0.462	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	141.9	178.7	51.5	0	0	0	0	112.4
533	C	72.2	Confident	64.4	Low	1 Å²	1	82.9 Å²	82.9	1%	0.007	44%	0.443	C	S	.	.			trans	-86.2	112.3	174.5	-174.1	0	0	0	0	110.7	T535 C536 G537 K538 F540 L546 H553	C533-T535 PolarHBondContact O-N 3.43Å; C533-T535 VanDerWaalsContact O-N 3.11Å; C533-C536 PolarHBondContact O-N 2.87Å; C533-C536 VanDerWaalsContact O-N 3.16Å; C533-G537 WeakPolarHBondContact O-CA 3.03Å; C533-G537 PolarHBondContact O-N 3.27Å; C533-K538 WeakPolarHBondContact CB-O 3.38Å; C533-K538 PolarHBondContact N-O 3.5Å; C533-F540 HydrophobicContact CB-CE2 4.28Å; C533-L546 HydrophobicContact CB-CD1 3.49Å; C533-L546 VanDerWaalsContact CB-CD1 3.49Å; C533-H553 PolarHBondContact SG-CD2 3.01Å; C533-H553 PolarHBondContact SG-NE2 3.19Å
534	L	69.3	Low	64	Low	167 Å²	167	82.4 Å²	82.4	87%	0.874	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-28	-179	-64.4	170.8	0	0	0	113.4
535	T	63.3	Low	64.1	Low	101 Å²	101	82.2 Å²	82.2	62%	0.62	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-18.3	-177.9	-35	0	0	0	0	114.3	C533 H553	C533-T535 PolarHBondContact O-N 3.43Å; C533-T535 VanDerWaalsContact O-N 3.11Å; T535-H553 HydrophobicContact CG2-CB 4.02Å
536	C	70.8	Confident	64	Low	54 Å²	54	79.4 Å²	79.4	37%	0.365	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.2	13.5	-178.5	76.4	0	0	0	0	116.3	C533 K538 H549 H553	C533-C536 PolarHBondContact O-N 2.87Å; C533-C536 VanDerWaalsContact O-N 3.16Å; C536-K538 PolarHBondContact O-N 3.29Å; C536-H549 PolarHBondContact SG-NE2 3.06Å; C536-H553 PolarHBondContact SG-CE1 3.04Å; C536-H553 PolarHBondContact SG-NE2 3.48Å; C536-H553 VanDerWaalsContact SG-NE2 3.43Å
537	G	64.1	Low	64.1	Low	55 Å²	55	81.9 Å²	81.9	57%	0.567	44%	0.444	S	S	*	.			trans	71.5	-10.7	178.7	0	0	0	0	0	116.2	C533	C533-G537 WeakPolarHBondContact O-CA 3.03Å; C533-G537 PolarHBondContact O-N 3.27Å
538	K	68.4	Low	64.3	Low	127 Å²	127	79.2 Å²	79.2	55%	0.552	44%	0.436	S	S	*	.			trans	-64.4	136.8	-173.6	-71	-179.9	-177.8	177.8	0	112.6	C533 C536 F540	C533-K538 WeakPolarHBondContact CB-O 3.38Å; C533-K538 PolarHBondContact N-O 3.5Å; C536-K538 PolarHBondContact O-N 3.29Å; K538-F540 HydrophobicContact CB-CE2 3.85Å; K538-F540 HydrophobicContact CB-CZ 4.02Å; K538-F540 WeakPolarHBondContact O-CD2 3.12Å; K538-F540 VanDerWaalsContact O-CE2 3.27Å; K538-F540 WeakPolarHBondContact O-CE2 3.42Å
539	T	63.3	Low	64.9	Low	89 Å²	89	73.4 Å²	73.4	55%	0.546	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	139.2	-168.3	42	0	0	0	0	112.1	I530	I530-T539 VanDerWaalsContact CG2-CB 3.42Å; I530-T539 HydrophobicContact CG2-CG2 3.41Å; I530-T539 VanDerWaalsContact CG2-CG2 3.41Å
540	F	67.1	Low	65.3	Low	43 Å²	43	71.8 Å²	71.8	19%	0.189	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	130.5	-174.9	-59.8	-84.8	0	0	0	111.9	Y531 C533 K538 L542 C545 L546 H549	Y531-F540 WeakPolarHBondContact CB-O 3.45Å; Y531-F540 WeakPolarHBondContact CD2-O 3.38Å; Y531-F540 PolarHBondContact N-O 3.03Å; Y531-F540 PolarHBondContact O-N 3.34Å; C533-F540 HydrophobicContact CB-CE2 4.28Å; K538-F540 HydrophobicContact CB-CE2 3.85Å; K538-F540 HydrophobicContact CB-CZ 4.02Å; K538-F540 WeakPolarHBondContact O-CD2 3.12Å; K538-F540 VanDerWaalsContact O-CE2 3.27Å; K538-F540 WeakPolarHBondContact O-CE2 3.42Å; F540-L542 PolarHBondContact O-N 2.81Å; F540-L542 VanDerWaalsContact O-N 3.14Å; F540-C545 HydrophobicContact CB-CB 4.22Å; F540-C545 HydrophobicContact CD1-CB 3.87Å; F540-C545 HydrophobicContact CG-CB 4.34Å; F540-L546 HydrophobicContact CB-CB 4.23Å; F540-L546 HydrophobicContact CD2-CB 4.04Å; F540-L546 HydrophobicContact CD2-CD1 3.83Å; F540-L546 HydrophobicContact CE2-CD1 4.11Å; F540-L546 HydrophobicContact CG-CB 4.29Å; F540-H549 HydrophobicContact CE1-CB 3.97Å; F540-H549 HydrophobicContact CE2-CB 3.92Å; F540-H549 AromaticContact CE2-CD2 3.34Å; F540-H549 WeakPolarHBondContact CE2-CD2 3.36Å; F540-H549 AromaticContact CE2-CG 3.65Å; F540-H549 HydrophobicContact CZ-CB 3.48Å; F540-H549 VanDerWaalsContact CZ-CB 3.48Å; F540-H549 AromaticContact CZ-CD2 3.42Å; F540-H549 VanDerWaalsContact CZ-CD2 3.42Å; F540-H549 WeakPolarHBondContact CZ-CD2 3.43Å; F540-H549 AromaticContact CZ-CG 3.24Å; F540-H549 AromaticContact CZ-ND1 3.76Å; F540-H549 AromaticContact CZ-NE2 4Å
541	N	61.5	Low	65.5	Low	72 Å²	72	74.4 Å²	74.4	39%	0.385	41%	0.405	S	S	.	.	S	Bend	trans	-76.5	0.9	-179.5	-55.3	-6.3	0	0	0	113.4	T524	T524-N541 HydrophobicContact CG2-CB 4.04Å
542	L	64.6	Low	65.4	Low	67 Å²	67	77.9 Å²	77.9	35%	0.351	42%	0.418	S	S	.	.	S	Bend	trans	-145.4	129.3	179.9	-67.1	174	0	0	0	111.2	F540 G544 C545 L546	F540-L542 PolarHBondContact O-N 2.81Å; F540-L542 VanDerWaalsContact O-N 3.14Å; L542-G544 PolarHBondContact O-N 2.84Å; L542-G544 VanDerWaalsContact O-N 3.09Å; L542-C545 HydrophobicContact CB-CB 4.44Å; L542-C545 WeakPolarHBondContact O-CB 3.5Å; L542-C545 PolarHBondContact O-N 2.77Å; L542-L546 PolarHBondContact O-N 3.35Å; L542-L546 VanDerWaalsContact O-N 3.15Å
543	L	67	Low	65.7	Low	70 Å²	70	77.7 Å²	77.7	37%	0.366	41%	0.41	S	S	.	.	H	α-helix	trans	-60.3	-18.7	176.3	-176.9	59.8	0	0	0	114.2	Y531 L546 R547	Y531-L543 HydrophobicContact CD1-CB 4.05Å; Y531-L543 HydrophobicContact CD1-CD1 3.9Å; Y531-L543 HydrophobicContact CD1-CG 4.46Å; Y531-L543 HydrophobicContact CD2-CB 4.18Å; Y531-L543 VanDerWaalsContact CD2-N 3.33Å; Y531-L543 HydrophobicContact CE1-CB 3.88Å; Y531-L543 HydrophobicContact CE1-CD1 4.21Å; Y531-L543 HydrophobicContact CE1-CD2 4.37Å; Y531-L543 HydrophobicContact CE1-CG 4.37Å; Y531-L543 HydrophobicContact CE2-CB 4.01Å; Y531-L543 HydrophobicContact CG-CB 4.2Å; Y531-L543 HydrophobicContact CG-CD1 4.45Å; L543-L546 HydrophobicContact CD1-CD2 4.32Å; L543-R547 HydrophobicContact CD1-CG 4.43Å; L543-R547 WeakPolarHBondContact O-CG 3.46Å; L543-R547 PolarHBondContact O-N 3.38Å; L543-R547 PolarHBondContact O-NE 3.38Å
544	G	61.3	Low	65.3	Low	48 Å²	48	82 Å²	82	50%	0.495	44%	0.436	S	S	.	.	H	α-helix	trans	-72.2	-39.4	170.1	0	0	0	0	0	112.6	L542 M548	L542-G544 PolarHBondContact O-N 2.84Å; L542-G544 VanDerWaalsContact O-N 3.09Å; G544-M548 WeakPolarHBondContact O-CB 3.48Å; G544-M548 PolarHBondContact O-N 3.47Å
545	C	65.7	Low	64.5	Low	51 Å²	51	80.4 Å²	80.4	35%	0.345	43%	0.428	S	S	.	.	H	α-helix	trans	-71.2	-40.3	177.2	-60.1	0	0	0	0	111.3	F540 L542 M548 H549	F540-C545 HydrophobicContact CB-CB 4.22Å; F540-C545 HydrophobicContact CD1-CB 3.87Å; F540-C545 HydrophobicContact CG-CB 4.34Å; L542-C545 HydrophobicContact CB-CB 4.44Å; L542-C545 WeakPolarHBondContact O-CB 3.5Å; L542-C545 PolarHBondContact O-N 2.77Å; C545-M548 PolarHBondContact O-N 2.93Å; C545-H549 WeakPolarHBondContact O-CB 3.21Å; C545-H549 PolarHBondContact O-N 2.82Å
546	L	66.6	Low	64.2	Low	11 Å²	11	80.2 Å²	80.2	6%	0.058	43%	0.426	C	S	.	.	H	α-helix	trans	-57.6	-54.1	172	174.5	59	0	0	0	111	C533 F540 L542 L543 M548 H549 E550	C533-L546 HydrophobicContact CB-CD1 3.49Å; C533-L546 VanDerWaalsContact CB-CD1 3.49Å; F540-L546 HydrophobicContact CB-CB 4.23Å; F540-L546 HydrophobicContact CD2-CB 4.04Å; F540-L546 HydrophobicContact CD2-CD1 3.83Å; F540-L546 HydrophobicContact CE2-CD1 4.11Å; F540-L546 HydrophobicContact CG-CB 4.29Å; L542-L546 PolarHBondContact O-N 3.35Å; L542-L546 VanDerWaalsContact O-N 3.15Å; L543-L546 HydrophobicContact CD1-CD2 4.32Å; L546-M548 PolarHBondContact O-N 3.08Å; L546-H549 CarbonylContact O-C 3.56Å; L546-H549 WeakPolarHBondContact O-CA 3.21Å; L546-H549 WeakPolarHBondContact O-CB 3.39Å; L546-H549 PolarHBondContact O-N 3.39Å; L546-E550 HydrophobicContact CD1-CG 3.77Å; L546-E550 WeakPolarHBondContact CD1-OE1 3.35Å; L546-E550 HydrophobicContact CG-CG 4.18Å; L546-E550 WeakPolarHBondContact CG-OE1 3.41Å; L546-E550 WeakPolarHBondContact O-CG 3.32Å; L546-E550 PolarHBondContact O-N 3.3Å
547	R	66.6	Low	63.7	Low	146 Å²	146	82.3 Å²	82.3	55%	0.551	43%	0.429	S	S	*	.	H	α-helix	trans	-65.1	-23	-179.3	-73.3	-176.7	-68.5	174.3	-3.6	114.7	L543 E550 K551	L543-R547 HydrophobicContact CD1-CG 4.43Å; L543-R547 WeakPolarHBondContact O-CG 3.46Å; L543-R547 PolarHBondContact O-N 3.38Å; L543-R547 PolarHBondContact O-NE 3.38Å; R547-E550 WeakPolarHBondContact CA-OE2 3.34Å; R547-E550 WeakPolarHBondContact CG-OE2 3.3Å; R547-K551 WeakPolarHBondContact O-CG 3.46Å
548	M	60.5	Low	63.4	Low	112 Å²	112	83.7 Å²	83.7	55%	0.552	43%	0.428	S	S	*	.	H	α-helix	trans	-77.8	-33	169.9	-175.4	174.2	69.4	0	0	112	G544 C545 L546 T570	G544-M548 WeakPolarHBondContact O-CB 3.48Å; G544-M548 PolarHBondContact O-N 3.47Å; C545-M548 PolarHBondContact O-N 2.93Å; L546-M548 PolarHBondContact O-N 3.08Å; M548-T570 HydrophobicContact SD-CG2 4.47Å
549	H	68.4	Low	62.9	Low	22 Å²	22	81 Å²	81	10%	0.102	42%	0.417	C	S	.	.	H	α-helix	trans	-73.6	-40.5	175.2	170.9	69.3	0	0	0	112.5	C536 F540 C545 L546 K551 R552 H553	C536-H549 PolarHBondContact SG-NE2 3.06Å; F540-H549 HydrophobicContact CE1-CB 3.97Å; F540-H549 HydrophobicContact CE2-CB 3.92Å; F540-H549 AromaticContact CE2-CD2 3.34Å; F540-H549 WeakPolarHBondContact CE2-CD2 3.36Å; F540-H549 AromaticContact CE2-CG 3.65Å; F540-H549 HydrophobicContact CZ-CB 3.48Å; F540-H549 VanDerWaalsContact CZ-CB 3.48Å; F540-H549 AromaticContact CZ-CD2 3.42Å; F540-H549 VanDerWaalsContact CZ-CD2 3.42Å; F540-H549 WeakPolarHBondContact CZ-CD2 3.43Å; F540-H549 AromaticContact CZ-CG 3.24Å; F540-H549 AromaticContact CZ-ND1 3.76Å; F540-H549 AromaticContact CZ-NE2 4Å; C545-H549 WeakPolarHBondContact O-CB 3.21Å; C545-H549 PolarHBondContact O-N 2.82Å; L546-H549 CarbonylContact O-C 3.56Å; L546-H549 WeakPolarHBondContact O-CA 3.21Å; L546-H549 WeakPolarHBondContact O-CB 3.39Å; L546-H549 PolarHBondContact O-N 3.39Å; H549-K551 PolarHBondContact O-N 2.9Å; H549-R552 VanDerWaalsContact O-CB 3.22Å; H549-R552 WeakPolarHBondContact O-CB 3.44Å; H549-R552 PolarHBondContact O-N 3.16Å; H549-H553 AromaticContact CD2-NE2 3.61Å; H549-H553 AromaticContact CE1-CE1 3.68Å; H549-H553 AromaticContact CE1-NE2 3.51Å; H549-H553 AromaticContact NE2-CE1 3.53Å; H549-H553 AromaticContact NE2-NE2 2.95Å; H549-H553 PolarHBondContact NE2-NE2 3.2Å
550	E	64.8	Low	62	Low	64 Å²	64	81.1 Å²	81.1	30%	0.299	41%	0.412	S	S	.	.	H	α-helix	trans	-59.6	-35.3	178.1	-71.9	166.4	150.8	0	0	112.3	L546 R547 R552 H553 T554	L546-E550 HydrophobicContact CD1-CG 3.77Å; L546-E550 WeakPolarHBondContact CD1-OE1 3.35Å; L546-E550 HydrophobicContact CG-CG 4.18Å; L546-E550 WeakPolarHBondContact CG-OE1 3.41Å; L546-E550 WeakPolarHBondContact O-CG 3.32Å; L546-E550 PolarHBondContact O-N 3.3Å; R547-E550 WeakPolarHBondContact CA-OE2 3.34Å; R547-E550 WeakPolarHBondContact CG-OE2 3.3Å; E550-R552 PolarHBondContact O-N 3.41Å; E550-H553 PolarHBondContact O-N 3.17Å; E550-T554 PolarHBondContact O-N 2.85Å
551	K	66.6	Low	61.6	Low	129 Å²	129	79.1 Å²	79.1	56%	0.561	40%	0.403	S	S	*	.	H	α-helix	trans	-60.6	-11.7	171.4	-73	-178.5	177.5	-166.8	0	114.8	R547 H549 T554 F569	R547-K551 WeakPolarHBondContact O-CG 3.46Å; H549-K551 PolarHBondContact O-N 2.9Å; K551-T554 WeakPolarHBondContact CA-OG1 3.25Å; K551-T554 PolarHBondContact O-OG1 3.22Å; K551-F569 WeakPolarHBondContact O-CD1 3.44Å
552	R	62.5	Low	61.2	Low	140 Å²	140	84.5 Å²	84.5	53%	0.528	42%	0.424	S	S	.	.	H	α-helix	trans	-86.5	-25.4	173.2	-57.7	174.1	60	128.9	0.2	112.1	H549 E550 F569	H549-R552 VanDerWaalsContact O-CB 3.22Å; H549-R552 WeakPolarHBondContact O-CB 3.44Å; H549-R552 PolarHBondContact O-N 3.16Å; E550-R552 PolarHBondContact O-N 3.41Å; R552-F569 HydrophobicContact CG-CD1 4.44Å; R552-F569 HydrophobicContact CG-CG 4.42Å
553	H	65	Low	60.8	Low	63 Å²	63	86.5 Å²	86.5	29%	0.292	44%	0.435	S	S	.	.	H	α-helix	trans	-80.1	-29.7	175	-57.7	-46.5	0	0	0	112.3	C533 T535 C536 H549 E550 L555	C533-H553 PolarHBondContact SG-CD2 3.01Å; C533-H553 PolarHBondContact SG-NE2 3.19Å; T535-H553 HydrophobicContact CG2-CB 4.02Å; C536-H553 PolarHBondContact SG-CE1 3.04Å; C536-H553 PolarHBondContact SG-NE2 3.48Å; C536-H553 VanDerWaalsContact SG-NE2 3.43Å; H549-H553 AromaticContact CD2-NE2 3.61Å; H549-H553 AromaticContact CE1-CE1 3.68Å; H549-H553 AromaticContact CE1-NE2 3.51Å; H549-H553 AromaticContact NE2-CE1 3.53Å; H549-H553 AromaticContact NE2-NE2 2.95Å; H549-H553 PolarHBondContact NE2-NE2 3.2Å; E550-H553 PolarHBondContact O-N 3.17Å; H553-L555 PolarHBondContact O-N 3Å; H553-L555 VanDerWaalsContact O-N 3.12Å
554	T	63.1	Low	60.7	Low	90 Å²	90	85.6 Å²	85.6	55%	0.552	43%	0.434	S	S	*	.	S	Bend	trans	-66.1	-10.1	176.5	50.5	0	0	0	0	113.9	E550 K551 V556	E550-T554 PolarHBondContact O-N 2.85Å; K551-T554 WeakPolarHBondContact CA-OG1 3.25Å; K551-T554 PolarHBondContact O-OG1 3.22Å; T554-V556 PolarHBondContact O-N 2.78Å
555	L	54.2	Low	60.1	Low	135 Å²	135	85.6 Å²	85.6	71%	0.707	43%	0.434	S	S	*	.			trans	55.8	-20	-176.7	-67	175.5	0	0	0	117.2	H553 K557	H553-L555 PolarHBondContact O-N 3Å; H553-L555 VanDerWaalsContact O-N 3.12Å; L555-K557 PolarHBondContact O-N 3.01Å
556	V	56.7	Low	60	Low	97 Å²	97	88.7 Å²	88.7	59%	0.588	44%	0.441	S	S	*	.			trans	-55.5	118.8	167.4	178.9	0	0	0	0	109.2	T554 P558	T554-V556 PolarHBondContact O-N 2.78Å; V556-P558 VanDerWaalsContact O-CD 3.29Å; V556-P558 WeakPolarHBondContact O-CD 3.11Å
557	K	59.8	Low	59.3	Low	98 Å²	98	90 Å²	90	43%	0.426	45%	0.45	S	S	.	.			trans	-105.8	90	174.2	-65.7	-168.7	-162.7	170.9	0	108.6	L555 F559 C567 Y568 F569	L555-K557 PolarHBondContact O-N 3.01Å; K557-F559 PolarHBondContact O-N 2.94Å; K557-C567 HydrophobicContact CB-CB 3.47Å; K557-C567 VanDerWaalsContact CB-CB 3.47Å; K557-C567 HydrophobicContact CD-CB 4.05Å; K557-C567 WeakPolarHBondContact CD-O 3.25Å; K557-C567 HydrophobicContact CG-CB 4.41Å; K557-Y568 CarbonylContact C-O 3.54Å; K557-Y568 VanDerWaalsContact C-O 3.28Å; K557-Y568 WeakPolarHBondContact CA-O 3.47Å; K557-Y568 WeakPolarHBondContact CB-O 3.45Å; K557-F569 HydrophobicContact CD-CD2 4.41Å; K557-F569 HydrophobicContact CD-CE1 4.48Å; K557-F569 HydrophobicContact CD-CE2 4.06Å; K557-F569 HydrophobicContact CD-CZ 4.1Å; K557-F569 HydrophobicContact CG-CD1 3.87Å; K557-F569 HydrophobicContact CG-CD2 4.28Å; K557-F569 HydrophobicContact CG-CE1 3.6Å; K557-F569 HydrophobicContact CG-CE2 4.03Å; K557-F569 HydrophobicContact CG-CG 4.21Å; K557-F569 HydrophobicContact CG-CZ 3.69Å
558	P	57.5	Low	59.4	Low	84 Å²	84	85.5 Å²	85.5	55%	0.545	43%	0.434	S	S	.	.			trans	-74.5	-6.4	-166.2	29.6	-35.8	0	0	0	114.5	V556	V556-P558 VanDerWaalsContact O-CD 3.29Å; V556-P558 WeakPolarHBondContact O-CD 3.11Å
559	F	57.8	Low	59.1	Low	71 Å²	71	82.2 Å²	82.2	31%	0.311	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	93.7	-178.7	-59.6	-76.9	0	0	0	110.2	K557 C567 Y568 F569 D571 L574	K557-F559 PolarHBondContact O-N 2.94Å; F559-C567 CarbonylContact O-C 3.51Å; F559-C567 WeakPolarHBondContact O-CA 3.21Å; F559-Y568 PolarHBondContact N-O 3.46Å; F559-Y568 PolarHBondContact O-N 2.83Å; F559-F569 WeakPolarHBondContact CE2-O 3.44Å; F559-D571 HydrophobicContact CD1-CB 4.1Å; F559-D571 HydrophobicContact CE1-CB 3.81Å; F559-D571 HydrophobicContact CZ-CB 4.08Å; F559-L574 HydrophobicContact CB-CB 4.05Å; F559-L574 HydrophobicContact CB-CD2 3.88Å
560	M	45.5	Very low	58.8	Low	91 Å²	91	82.5 Å²	82.5	45%	0.448	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	137.3	177.5	-174.3	-178.8	-70.9	0	0	111.5
561	C	57.1	Low	58.5	Low	1 Å²	1	82.5 Å²	82.5	1%	0.007	42%	0.422	C	S	.	.			trans	-84.9	113.1	165.9	-169.1	0	0	0	0	109.4	D563 C564 G565 K566 Y568 L574 H577 L578 H581	C561-D563 VanDerWaalsContact C-N 3.29Å; C561-D563 PolarHBondContact O-N 3.09Å; C561-C564 PolarHBondContact O-N 2.77Å; C561-G565 VanDerWaalsContact O-CA 3.3Å; C561-G565 WeakPolarHBondContact O-CA 3.44Å; C561-G565 PolarHBondContact O-N 2.95Å; C561-K566 VanDerWaalsContact CB-O 3.3Å; C561-K566 WeakPolarHBondContact CB-O 3.31Å; C561-K566 PolarHBondContact N-O 2.84Å; C561-Y568 HydrophobicContact CB-CE2 4.44Å; C561-L574 HydrophobicContact CB-CD1 3.61Å; C561-H577 VanDerWaalsContact SG-CD2 3.56Å; C561-H577 PolarHBondContact SG-NE2 3.23Å; C561-H577 VanDerWaalsContact SG-NE2 3.42Å; C561-L578 VanDerWaalsContact SG-CD2 3.55Å; C561-H581 VanDerWaalsContact SG-CD2 3.57Å; C561-H581 PolarHBondContact SG-NE2 2.87Å
562	F	53.2	Low	58.5	Low	185 Å²	185	81 Å²	81	81%	0.811	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-32.5	-178.5	-69.3	-82.8	0	0	0	112.5	C564	F562-C564 VanDerWaalsContact C-N 3.28Å; F562-C564 PolarHBondContact O-N 3.2Å
563	D	56.4	Low	58.8	Low	109 Å²	109	77.3 Å²	77.3	58%	0.583	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-19.6	-176.6	-40.5	-59.4	0	0	0	114.5	C561 L578 H581	C561-D563 VanDerWaalsContact C-N 3.29Å; C561-D563 PolarHBondContact O-N 3.09Å; D563-L578 VanDerWaalsContact OD2-CD2 3.25Å; D563-L578 WeakPolarHBondContact OD2-CD2 3.38Å; D563-H581 IonicContact OD2-CD2 3.59Å
564	C	65.3	Low	59	Low	51 Å²	51	75.4 Å²	75.4	35%	0.345	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.3	20	178.8	79.4	0	0	0	0	115.5	C561 F562 K566 H577 H581	C561-C564 PolarHBondContact O-N 2.77Å; F562-C564 VanDerWaalsContact C-N 3.28Å; F562-C564 PolarHBondContact O-N 3.2Å; C564-K566 PolarHBondContact O-N 3.21Å; C564-K566 VanDerWaalsContact SG-CD 3.56Å; C564-H577 PolarHBondContact SG-NE2 2.65Å; C564-H581 VanDerWaalsContact SG-CE1 3.6Å; C564-H581 PolarHBondContact SG-NE2 3.48Å
565	G	49.1	Very low	59.2	Low	48 Å²	48	76.8 Å²	76.8	50%	0.495	40%	0.403	S	S	.	.			trans	65	3.2	175.8	0	0	0	0	0	117	C561 C567	C561-G565 VanDerWaalsContact O-CA 3.3Å; C561-G565 WeakPolarHBondContact O-CA 3.44Å; C561-G565 PolarHBondContact O-N 2.95Å; G565-C567 PolarHBondContact O-N 2.85Å
566	K	63.7	Low	59.8	Low	115 Å²	115	73.1 Å²	73.1	50%	0.5	38%	0.382	S	S	.	.			trans	-76.7	126.3	-176	-71.6	174.9	-170.1	161.2	0	110.8	C561 C564 Y568	C561-K566 VanDerWaalsContact CB-O 3.3Å; C561-K566 WeakPolarHBondContact CB-O 3.31Å; C561-K566 PolarHBondContact N-O 2.84Å; C564-K566 PolarHBondContact O-N 3.21Å; C564-K566 VanDerWaalsContact SG-CD 3.56Å; K566-Y568 HydrophobicContact CB-CE2 3.66Å; K566-Y568 WeakPolarHBondContact O-CD2 3.44Å; K566-Y568 WeakPolarHBondContact O-CE2 3.35Å
567	C	51.5	Low	60.6	Low	38 Å²	38	69.3 Å²	69.3	26%	0.257	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	147.7	179.1	-54.6	0	0	0	0	112.8	K557 F559 G565	K557-C567 HydrophobicContact CB-CB 3.47Å; K557-C567 VanDerWaalsContact CB-CB 3.47Å; K557-C567 HydrophobicContact CD-CB 4.05Å; K557-C567 WeakPolarHBondContact CD-O 3.25Å; K557-C567 HydrophobicContact CG-CB 4.41Å; F559-C567 CarbonylContact O-C 3.51Å; F559-C567 WeakPolarHBondContact O-CA 3.21Å; G565-C567 PolarHBondContact O-N 2.85Å
568	Y	69.4	Low	60.7	Low	52 Å²	52	67.6 Å²	67.6	20%	0.204	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	156.6	-174.5	-63.5	-86.2	0	0	0	112.1	K557 F559 C561 K566 E573 L574 H577	K557-Y568 CarbonylContact C-O 3.54Å; K557-Y568 VanDerWaalsContact C-O 3.28Å; K557-Y568 WeakPolarHBondContact CA-O 3.47Å; K557-Y568 WeakPolarHBondContact CB-O 3.45Å; F559-Y568 PolarHBondContact N-O 3.46Å; F559-Y568 PolarHBondContact O-N 2.83Å; C561-Y568 HydrophobicContact CB-CE2 4.44Å; K566-Y568 HydrophobicContact CB-CE2 3.66Å; K566-Y568 WeakPolarHBondContact O-CD2 3.44Å; K566-Y568 WeakPolarHBondContact O-CE2 3.35Å; Y568-E573 HydrophobicContact CD1-CB 3.8Å; Y568-E573 HydrophobicContact CG-CB 4.21Å; Y568-L574 HydrophobicContact CD2-CB 4.26Å; Y568-L574 HydrophobicContact CD2-CD1 4.01Å; Y568-L574 HydrophobicContact CE2-CD1 4.45Å; Y568-L574 HydrophobicContact CG-CB 4.42Å; Y568-H577 HydrophobicContact CE1-CB 4.17Å; Y568-H577 HydrophobicContact CE2-CB 4.05Å; Y568-H577 AromaticContact CE2-CD2 3.21Å; Y568-H577 WeakPolarHBondContact CE2-CD2 3.45Å; Y568-H577 AromaticContact CE2-CG 3.8Å; Y568-H577 AromaticContact CZ-CD2 3.41Å; Y568-H577 VanDerWaalsContact CZ-CD2 3.41Å; Y568-H577 AromaticContact CZ-CG 3.56Å; Y568-H577 PolarHBondContact OH-CD2 3.17Å
569	F	54.1	Low	61.2	Low	43 Å²	43	64.9 Å²	64.9	19%	0.189	34%	0.336	C	S	.	.	S	Bend	trans	-84.3	-23	-178.9	-65.6	-78.3	0	0	0	112.5	K551 R552 K557 F559 E573	K551-F569 WeakPolarHBondContact O-CD1 3.44Å; R552-F569 HydrophobicContact CG-CD1 4.44Å; R552-F569 HydrophobicContact CG-CG 4.42Å; K557-F569 HydrophobicContact CD-CD2 4.41Å; K557-F569 HydrophobicContact CD-CE1 4.48Å; K557-F569 HydrophobicContact CD-CE2 4.06Å; K557-F569 HydrophobicContact CD-CZ 4.1Å; K557-F569 HydrophobicContact CG-CD1 3.87Å; K557-F569 HydrophobicContact CG-CD2 4.28Å; K557-F569 HydrophobicContact CG-CE1 3.6Å; K557-F569 HydrophobicContact CG-CE2 4.03Å; K557-F569 HydrophobicContact CG-CG 4.21Å; K557-F569 HydrophobicContact CG-CZ 3.69Å; F559-F569 WeakPolarHBondContact CE2-O 3.44Å; F569-E573 PolarHBondContact N-OE2 3.39Å
570	T	61.2	Low	61.5	Low	29 Å²	29	65.3 Å²	65.3	18%	0.178	34%	0.344	C	S	.	.	S	Bend	trans	-133	148.4	178.5	65.5	0	0	0	0	113	M548 T572 E573 L574	M548-T570 HydrophobicContact SD-CG2 4.47Å; T570-T572 WeakPolarHBondContact CB-OG1 3.03Å; T570-T572 PolarHBondContact O-N 3.36Å; T570-T572 PolarHBondContact OG1-OG1 3.41Å; T570-E573 WeakPolarHBondContact CB-OE2 3.32Å; T570-E573 PolarHBondContact N-OE2 2.89Å; T570-E573 PolarHBondContact O-N 3.16Å; T570-E573 VanDerWaalsContact O-N 3.1Å; T570-E573 WeakPolarHBondContact OG1-CB 3.46Å; T570-E573 WeakPolarHBondContact OG1-CG 3.37Å; T570-E573 PolarHBondContact OG1-N 2.96Å; T570-E573 VanDerWaalsContact OG1-N 3.16Å; T570-E573 PolarHBondContact OG1-OE2 3.36Å; T570-L574 PolarHBondContact O-N 3.23Å; T570-L574 VanDerWaalsContact O-N 3.08Å
571	D	58.3	Low	62.5	Low	64 Å²	64	64.8 Å²	64.8	34%	0.342	34%	0.34	S	S	.	.	H	α-helix	trans	-54	-36	170.4	167.8	74.5	0	0	0	112.5	F559 L574 K575	F559-D571 HydrophobicContact CD1-CB 4.1Å; F559-D571 HydrophobicContact CE1-CB 3.81Å; F559-D571 HydrophobicContact CZ-CB 4.08Å; D571-L574 PolarHBondContact O-N 3.34Å; D571-K575 WeakPolarHBondContact O-CB 3.46Å; D571-K575 WeakPolarHBondContact O-CG 3.37Å; D571-K575 PolarHBondContact O-N 3.33Å; D571-K575 WeakPolarHBondContact OD1-CE 3.24Å; D571-K575 IonicContact OD1-NZ 2.76Å; D571-K575 PolarHBondContact OD1-NZ 3.18Å; D571-K575 IonicContact OD2-NZ 2.71Å; D571-K575 PolarHBondContact OD2-NZ 2.68Å
572	T	67.1	Low	62.8	Low	97 Å²	97	67.4 Å²	67.4	60%	0.595	36%	0.359	S	S	*	.	H	α-helix	trans	-65.6	-40.4	174.7	36.6	0	0	0	0	113.3	T570 Q576	T570-T572 WeakPolarHBondContact CB-OG1 3.03Å; T570-T572 PolarHBondContact O-N 3.36Å; T570-T572 PolarHBondContact OG1-OG1 3.41Å; T572-Q576 VanDerWaalsContact O-CB 3.26Å; T572-Q576 WeakPolarHBondContact O-CB 3.39Å; T572-Q576 PolarHBondContact O-N 3.27Å
573	E	68.2	Low	62.9	Low	63 Å²	63	64.7 Å²	64.7	29%	0.294	35%	0.353	S	S	.	.	H	α-helix	trans	-68.8	-38.9	175.4	-71.8	159.4	142	0	0	111.1	Y568 F569 T570 Q576 H577	Y568-E573 HydrophobicContact CD1-CB 3.8Å; Y568-E573 HydrophobicContact CG-CB 4.21Å; F569-E573 PolarHBondContact N-OE2 3.39Å; T570-E573 WeakPolarHBondContact CB-OE2 3.32Å; T570-E573 PolarHBondContact N-OE2 2.89Å; T570-E573 PolarHBondContact O-N 3.16Å; T570-E573 VanDerWaalsContact O-N 3.1Å; T570-E573 WeakPolarHBondContact OG1-CB 3.46Å; T570-E573 WeakPolarHBondContact OG1-CG 3.37Å; T570-E573 PolarHBondContact OG1-N 2.96Å; T570-E573 VanDerWaalsContact OG1-N 3.16Å; T570-E573 PolarHBondContact OG1-OE2 3.36Å; E573-Q576 CarbonylContact O-C 3.58Å; E573-Q576 PolarHBondContact O-N 3Å; E573-H577 WeakPolarHBondContact O-CB 3.43Å; E573-H577 PolarHBondContact O-N 2.87Å
574	L	70.2	Confident	63	Low	22 Å²	22	65.4 Å²	65.4	12%	0.115	35%	0.353	C	S	.	.	H	α-helix	trans	-61.9	-49.5	173.9	174.2	59.4	0	0	0	111.1	F559 C561 Y568 T570 D571 Q576 H577 L578	F559-L574 HydrophobicContact CB-CB 4.05Å; F559-L574 HydrophobicContact CB-CD2 3.88Å; C561-L574 HydrophobicContact CB-CD1 3.61Å; Y568-L574 HydrophobicContact CD2-CB 4.26Å; Y568-L574 HydrophobicContact CD2-CD1 4.01Å; Y568-L574 HydrophobicContact CE2-CD1 4.45Å; Y568-L574 HydrophobicContact CG-CB 4.42Å; T570-L574 PolarHBondContact O-N 3.23Å; T570-L574 VanDerWaalsContact O-N 3.08Å; D571-L574 PolarHBondContact O-N 3.34Å; L574-Q576 VanDerWaalsContact C-N 3.3Å; L574-Q576 PolarHBondContact O-N 2.98Å; L574-H577 CarbonylContact O-C 3.17Å; L574-H577 WeakPolarHBondContact O-CA 3.45Å; L574-H577 WeakPolarHBondContact O-CB 3.39Å; L574-H577 PolarHBondContact O-N 3.04Å; L574-L578 HydrophobicContact CD1-CD1 4.23Å; L574-L578 HydrophobicContact CD1-CD2 4.47Å; L574-L578 HydrophobicContact CD1-CG 4.08Å; L574-L578 HydrophobicContact CG-CD1 4.02Å; L574-L578 HydrophobicContact CG-CG 4.36Å; L574-L578 WeakPolarHBondContact O-CG 3.41Å; L574-L578 PolarHBondContact O-N 3.16Å
575	K	67.2	Low	62.7	Low	120 Å²	120	70.4 Å²	70.4	52%	0.522	36%	0.364	S	S	.	.	H	α-helix	trans	-60.5	-37.8	176.8	-77.8	164.3	174	154.1	0	112.8	D571 H577 L578 S579	D571-K575 WeakPolarHBondContact O-CB 3.46Å; D571-K575 WeakPolarHBondContact O-CG 3.37Å; D571-K575 PolarHBondContact O-N 3.33Å; D571-K575 WeakPolarHBondContact OD1-CE 3.24Å; D571-K575 IonicContact OD1-NZ 2.76Å; D571-K575 PolarHBondContact OD1-NZ 3.18Å; D571-K575 IonicContact OD2-NZ 2.71Å; D571-K575 PolarHBondContact OD2-NZ 2.68Å; K575-H577 PolarHBondContact O-N 3.14Å; K575-L578 PolarHBondContact O-N 2.89Å; K575-S579 PolarHBondContact O-N 3.46Å
576	Q	66.8	Low	63.1	Low	58 Å²	58	72.4 Å²	72.4	27%	0.271	37%	0.369	S	S	.	.	H	α-helix	trans	-76.3	-2.4	174.9	-150.6	-172.9	36.6	0	0	113.9	T572 E573 L574 R598 D600	T572-Q576 VanDerWaalsContact O-CB 3.26Å; T572-Q576 WeakPolarHBondContact O-CB 3.39Å; T572-Q576 PolarHBondContact O-N 3.27Å; E573-Q576 CarbonylContact O-C 3.58Å; E573-Q576 PolarHBondContact O-N 3Å; L574-Q576 VanDerWaalsContact C-N 3.3Å; L574-Q576 PolarHBondContact O-N 2.98Å; Q576-R598 VanDerWaalsContact CD-NH1 3.35Å; Q576-R598 HydrophobicContact CG-CG 4.05Å; Q576-R598 PolarHBondContact O-NH1 3.25Å; Q576-R598 VanDerWaalsContact OE1-NH1 3.13Å; Q576-D600 PolarHBondContact NE2-OD2 3.42Å
577	H	72.4	Confident	63.1	Low	16 Å²	16	71.3 Å²	71.3	7%	0.074	36%	0.362	C	S	.	.	H	α-helix	trans	-103.2	-37.3	168.5	168.9	40.7	0	0	0	112	C561 C564 Y568 E573 L574 K575 S579 V580 H581	C561-H577 VanDerWaalsContact SG-CD2 3.56Å; C561-H577 PolarHBondContact SG-NE2 3.23Å; C561-H577 VanDerWaalsContact SG-NE2 3.42Å; C564-H577 PolarHBondContact SG-NE2 2.65Å; Y568-H577 HydrophobicContact CE1-CB 4.17Å; Y568-H577 HydrophobicContact CE2-CB 4.05Å; Y568-H577 AromaticContact CE2-CD2 3.21Å; Y568-H577 WeakPolarHBondContact CE2-CD2 3.45Å; Y568-H577 AromaticContact CE2-CG 3.8Å; Y568-H577 AromaticContact CZ-CD2 3.41Å; Y568-H577 VanDerWaalsContact CZ-CD2 3.41Å; Y568-H577 AromaticContact CZ-CG 3.56Å; Y568-H577 PolarHBondContact OH-CD2 3.17Å; E573-H577 WeakPolarHBondContact O-CB 3.43Å; E573-H577 PolarHBondContact O-N 2.87Å; L574-H577 CarbonylContact O-C 3.17Å; L574-H577 WeakPolarHBondContact O-CA 3.45Å; L574-H577 WeakPolarHBondContact O-CB 3.39Å; L574-H577 PolarHBondContact O-N 3.04Å; K575-H577 PolarHBondContact O-N 3.14Å; H577-S579 PolarHBondContact O-N 3.29Å; H577-V580 WeakPolarHBondContact O-CA 3.12Å; H577-V580 WeakPolarHBondContact O-CB 3.3Å; H577-V580 WeakPolarHBondContact O-CG2 3.13Å; H577-V580 PolarHBondContact O-N 2.79Å; H577-H581 AromaticContact CE1-CD2 3.98Å; H577-H581 AromaticContact CE1-CE1 3.91Å; H577-H581 AromaticContact CE1-NE2 3.31Å; H577-H581 PolarHBondContact CE1-NE2 3.46Å; H577-H581 VanDerWaalsContact CE1-NE2 3.31Å; H577-H581 AromaticContact NE2-NE2 3.36Å; H577-H581 PolarHBondContact NE2-NE2 3.18Å
578	L	63.3	Low	63.3	Low	63 Å²	63	74.6 Å²	74.6	33%	0.33	38%	0.375	S	S	.	.	H	α-helix	trans	-58	-31.7	174.2	-69.8	167.6	0	0	0	111.7	C561 D563 L574 K575 V580 H581 S582	C561-L578 VanDerWaalsContact SG-CD2 3.55Å; D563-L578 VanDerWaalsContact OD2-CD2 3.25Å; D563-L578 WeakPolarHBondContact OD2-CD2 3.38Å; L574-L578 HydrophobicContact CD1-CD1 4.23Å; L574-L578 HydrophobicContact CD1-CD2 4.47Å; L574-L578 HydrophobicContact CD1-CG 4.08Å; L574-L578 HydrophobicContact CG-CD1 4.02Å; L574-L578 HydrophobicContact CG-CG 4.36Å; L574-L578 WeakPolarHBondContact O-CG 3.41Å; L574-L578 PolarHBondContact O-N 3.16Å; K575-L578 PolarHBondContact O-N 2.89Å; L578-V580 PolarHBondContact O-N 2.87Å; L578-H581 PolarHBondContact O-N 3.39Å; L578-S582 PolarHBondContact O-N 3.05Å; L578-S582 VanDerWaalsContact O-N 3.09Å
579	S	66.8	Low	63.2	Low	26 Å²	26	72.1 Å²	72.1	18%	0.182	37%	0.365	C	S	.	.	H	α-helix	trans	-70.2	9.2	169.6	75.3	0	0	0	0	115.1	K575 H577 S597	K575-S579 PolarHBondContact O-N 3.46Å; H577-S579 PolarHBondContact O-N 3.29Å; S579-S597 WeakPolarHBondContact O-CB 3.22Å
580	V	64.6	Low	63.9	Low	81 Å²	81	74.2 Å²	74.2	49%	0.491	39%	0.385	S	S	.	.	H	α-helix	trans	-97.5	-29.9	164.2	-174.9	0	0	0	0	110.3	H577 L578	H577-V580 WeakPolarHBondContact O-CA 3.12Å; H577-V580 WeakPolarHBondContact O-CB 3.3Å; H577-V580 WeakPolarHBondContact O-CG2 3.13Å; H577-V580 PolarHBondContact O-N 2.79Å; L578-V580 PolarHBondContact O-N 2.87Å
581	H	67.4	Low	64.3	Low	79 Å²	79	77.6 Å²	77.6	37%	0.366	40%	0.402	S	S	.	.	H	α-helix	trans	-83	-35.6	177.4	-63	-51.9	0	0	0	112.6	C561 D563 C564 H577 L578 N583	C561-H581 VanDerWaalsContact SG-CD2 3.57Å; C561-H581 PolarHBondContact SG-NE2 2.87Å; D563-H581 IonicContact OD2-CD2 3.59Å; C564-H581 VanDerWaalsContact SG-CE1 3.6Å; C564-H581 PolarHBondContact SG-NE2 3.48Å; H577-H581 AromaticContact CE1-CD2 3.98Å; H577-H581 AromaticContact CE1-CE1 3.91Å; H577-H581 AromaticContact CE1-NE2 3.31Å; H577-H581 PolarHBondContact CE1-NE2 3.46Å; H577-H581 VanDerWaalsContact CE1-NE2 3.31Å; H577-H581 AromaticContact NE2-NE2 3.36Å; H577-H581 PolarHBondContact NE2-NE2 3.18Å; L578-H581 PolarHBondContact O-N 3.39Å; H581-N583 PolarHBondContact O-N 3.44Å
582	S	61.8	Low	65.1	Low	57 Å²	57	76.6 Å²	76.6	40%	0.399	40%	0.399	S	S	.	.	S	Bend	trans	-68.2	-13.9	174.4	73	0	0	0	0	113.6	L578 E584	L578-S582 PolarHBondContact O-N 3.05Å; L578-S582 VanDerWaalsContact O-N 3.09Å; S582-E584 WeakPolarHBondContact CB-OE2 3.39Å; S582-E584 PolarHBondContact O-N 3.21Å; S582-E584 PolarHBondContact OG-OE2 3.25Å
583	N	56.8	Low	65.2	Low	127 Å²	127	78.9 Å²	78.9	68%	0.679	40%	0.401	S	S	*	.			trans	58.4	2.2	-175.1	-127.5	-13.2	0	0	0	115.1	H581	H581-N583 PolarHBondContact O-N 3.44Å
584	E	56.9	Low	65.4	Low	125 Å²	125	82.1 Å²	82.1	58%	0.584	41%	0.414	S	S	*	.			trans	-65.9	136.7	-179.6	-65.1	168.8	130.9	0	0	111.3	S582 P586 S597	S582-E584 WeakPolarHBondContact CB-OE2 3.39Å; S582-E584 PolarHBondContact O-N 3.21Å; S582-E584 PolarHBondContact OG-OE2 3.25Å; E584-P586 WeakPolarHBondContact O-CD 3.49Å; E584-S597 WeakPolarHBondContact O-CA 3.45Å; E584-S597 VanDerWaalsContact O-CB 3.26Å; E584-S597 WeakPolarHBondContact O-CB 3.3Å
585	R	59.4	Low	65.1	Low	155 Å²	155	82.6 Å²	82.6	59%	0.585	42%	0.42	S	S	*	.			trans	-122.3	63.9	178.1	-63.7	178.3	175	-158.6	6.6	111	Y587 S595 F596	R585-Y587 PolarHBondContact O-N 3.26Å; R585-S595 WeakPolarHBondContact CD-O 3.12Å; R585-S595 WeakPolarHBondContact O-CB 3.24Å; R585-F596 CarbonylContact C-O 3.45Å; R585-F596 VanDerWaalsContact C-O 3.29Å; R585-F596 WeakPolarHBondContact CA-O 3.49Å
586	P	58.5	Low	65.2	Low	91 Å²	91	79.2 Å²	79.2	59%	0.591	41%	0.405	S	S	*	.			trans	-71	-10.2	-171.3	30.1	-36.6	0	0	0	114.1	E584	E584-P586 WeakPolarHBondContact O-CD 3.49Å
587	Y	62.7	Low	64.8	Low	92 Å²	92	78.1 Å²	78.1	36%	0.361	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	87.9	-178.7	-53.5	-69.4	0	0	0	110.4	R585 F596 M599	R585-Y587 PolarHBondContact O-N 3.26Å; Y587-F596 WeakPolarHBondContact CB-O 3.43Å; Y587-F596 PolarHBondContact N-O 2.6Å; Y587-F596 VanDerWaalsContact N-O 3.11Å; Y587-F596 PolarHBondContact O-N 3.09Å; Y587-M599 HydrophobicContact CD1-CB 4.18Å; Y587-M599 HydrophobicContact CD1-CE 3.54Å; Y587-M599 HydrophobicContact CD1-SD 4.24Å; Y587-M599 HydrophobicContact CD2-CB 4.46Å; Y587-M599 HydrophobicContact CE1-CB 4.19Å; Y587-M599 HydrophobicContact CE1-CE 3.66Å; Y587-M599 HydrophobicContact CE2-CB 4.46Å; Y587-M599 HydrophobicContact CG-CB 4.31Å
588	M	56.8	Low	64.4	Low	107 Å²	107	81.3 Å²	81.3	53%	0.527	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	136.3	177.7	-170.5	-177.4	-73.9	0	0	111.7	F593 S595	M588-F593 HydrophobicContact CG-CB 4.48Å; M588-F593 HydrophobicContact SD-CB 4.16Å; M588-F593 HydrophobicContact SD-CD1 3.83Å; M588-S595 WeakPolarHBondContact CE-OG 3.45Å
589	C	67.2	Low	64.2	Low	0 Å²	0	81.9 Å²	81.9	0%	0	42%	0.417	C	S	.	.			trans	-79	120.8	173.3	-171.4	0	0	0	0	111	L591 C592 F593 K594 F596 L602	C589-L591 PolarHBondContact O-N 3.46Å; C589-C592 PolarHBondContact O-N 3.47Å; C589-F593 WeakPolarHBondContact O-CA 3.25Å; C589-F593 PolarHBondContact O-N 3.04Å; C589-K594 PolarHBondContact N-O 3.21Å; C589-F596 HydrophobicContact CB-CE2 4.38Å; C589-L602 VanDerWaalsContact CA-CD1 3.48Å; C589-L602 HydrophobicContact CB-CD1 3.42Å; C589-L602 VanDerWaalsContact CB-CD1 3.42Å
590	S	67.9	Low	64.2	Low	87 Å²	87	84.5 Å²	84.5	61%	0.608	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.2	179.9	50.9	0	0	0	0	114.6
591	L	69	Low	64.7	Low	99 Å²	99	82.9 Å²	82.9	52%	0.518	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-14.5	-176.1	-60.7	177.6	0	0	0	114.3	C589 H609	C589-L591 PolarHBondContact O-N 3.46Å; L591-H609 HydrophobicContact CD1-CB 3.68Å
592	C	76.9	Confident	64.9	Low	43 Å²	43	79.6 Å²	79.6	29%	0.291	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.9	6.6	-177.5	71	0	0	0	0	114.7	C589 K594 H605 H609	C589-C592 PolarHBondContact O-N 3.47Å; C592-K594 PolarHBondContact O-N 3.18Å; C592-H605 PolarHBondContact SG-NE2 2.86Å; C592-H609 PolarHBondContact SG-NE2 2.85Å
593	F	69.1	Low	65.4	Low	145 Å²	145	82.4 Å²	82.4	64%	0.636	41%	0.411	S	S	*	.			trans	55.7	15.3	179.1	-52.3	-77.4	0	0	0	115.9	M588 C589 S595	M588-F593 HydrophobicContact CG-CB 4.48Å; M588-F593 HydrophobicContact SD-CB 4.16Å; M588-F593 HydrophobicContact SD-CD1 3.83Å; C589-F593 WeakPolarHBondContact O-CA 3.25Å; C589-F593 PolarHBondContact O-N 3.04Å; F593-S595 PolarHBondContact O-N 3.38Å
594	K	71.3	Confident	66.3	Low	131 Å²	131	84.1 Å²	84.1	57%	0.57	41%	0.412	S	S	*	.			trans	-71.5	123.7	172.4	-69.6	-174.6	178.6	-175.5	0	110.6	C589 C592 F596	C589-K594 PolarHBondContact N-O 3.21Å; C592-K594 PolarHBondContact O-N 3.18Å; K594-F596 HydrophobicContact CB-CE2 3.91Å; K594-F596 HydrophobicContact CB-CZ 4.18Å; K594-F596 VanDerWaalsContact O-CD2 3.3Å; K594-F596 WeakPolarHBondContact O-CD2 3.42Å; K594-F596 WeakPolarHBondContact O-CE2 3.46Å
595	S	64.9	Low	67.2	Low	33 Å²	33	79.7 Å²	79.7	23%	0.231	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	136.9	-178.7	-52	0	0	0	0	112.7	R585 M588 F593	R585-S595 WeakPolarHBondContact CD-O 3.12Å; R585-S595 WeakPolarHBondContact O-CB 3.24Å; M588-S595 WeakPolarHBondContact CE-OG 3.45Å; F593-S595 PolarHBondContact O-N 3.38Å
596	F	67.8	Low	67.9	Low	49 Å²	49	75 Å²	75	22%	0.215	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	144.9	-179.4	-60.5	-92	0	0	0	111	R585 Y587 C589 K594 R598 L602 H605	R585-F596 CarbonylContact C-O 3.45Å; R585-F596 VanDerWaalsContact C-O 3.29Å; R585-F596 WeakPolarHBondContact CA-O 3.49Å; Y587-F596 WeakPolarHBondContact CB-O 3.43Å; Y587-F596 PolarHBondContact N-O 2.6Å; Y587-F596 VanDerWaalsContact N-O 3.11Å; Y587-F596 PolarHBondContact O-N 3.09Å; C589-F596 HydrophobicContact CB-CE2 4.38Å; K594-F596 HydrophobicContact CB-CE2 3.91Å; K594-F596 HydrophobicContact CB-CZ 4.18Å; K594-F596 VanDerWaalsContact O-CD2 3.3Å; K594-F596 WeakPolarHBondContact O-CD2 3.42Å; K594-F596 WeakPolarHBondContact O-CE2 3.46Å; F596-R598 VanDerWaalsContact C-N 3.26Å; F596-R598 PolarHBondContact O-N 2.95Å; F596-L602 HydrophobicContact CB-CB 4.45Å; F596-L602 HydrophobicContact CD2-CB 4.1Å; F596-L602 HydrophobicContact CD2-CD1 4.07Å; F596-L602 HydrophobicContact CE2-CD1 4.26Å; F596-L602 HydrophobicContact CG-CB 4.4Å; F596-H605 HydrophobicContact CE1-CB 4.26Å; F596-H605 HydrophobicContact CE2-CB 4.1Å; F596-H605 AromaticContact CE2-CD2 3.43Å; F596-H605 VanDerWaalsContact CE2-CD2 3.43Å; F596-H605 WeakPolarHBondContact CE2-CD2 3.48Å; F596-H605 AromaticContact CE2-CG 3.98Å; F596-H605 HydrophobicContact CZ-CB 3.65Å; F596-H605 AromaticContact CZ-CD2 3.35Å; F596-H605 WeakPolarHBondContact CZ-CD2 3.4Å; F596-H605 AromaticContact CZ-CG 3.52Å
597	S	58.3	Low	68.8	Low	34 Å²	34	77.6 Å²	77.6	24%	0.238	38%	0.379	C	S	.	.	S	Bend	trans	-78.9	-5.7	172.6	54.8	0	0	0	0	113.7	S579 E584	S579-S597 WeakPolarHBondContact O-CB 3.22Å; E584-S597 WeakPolarHBondContact O-CA 3.45Å; E584-S597 VanDerWaalsContact O-CB 3.26Å; E584-S597 WeakPolarHBondContact O-CB 3.3Å
598	R	65.3	Low	69.3	Low	84 Å²	84	76.7 Å²	76.7	32%	0.317	38%	0.383	S	S	.	.			trans	-140.7	125	-175.7	-67.3	170.3	58.8	116.4	2	111.8	Q576 F596 D600 S601 L602	Q576-R598 VanDerWaalsContact CD-NH1 3.35Å; Q576-R598 HydrophobicContact CG-CG 4.05Å; Q576-R598 PolarHBondContact O-NH1 3.25Å; Q576-R598 VanDerWaalsContact OE1-NH1 3.13Å; F596-R598 VanDerWaalsContact C-N 3.26Å; F596-R598 PolarHBondContact O-N 2.95Å; R598-D600 PolarHBondContact O-N 3.15Å; R598-S601 WeakPolarHBondContact O-CB 3.41Å; R598-S601 PolarHBondContact O-N 3.4Å; R598-L602 PolarHBondContact O-N 2.9Å
599	M	58.1	Low	70	Confident	75 Å²	75	73.1 Å²	73.1	37%	0.369	37%	0.365	S	S	.	.	H	α-helix	trans	-54.1	-36.3	175.9	179.5	64.6	81.7	0	0	113.3	Y587 S601 L602 K603	Y587-M599 HydrophobicContact CD1-CB 4.18Å; Y587-M599 HydrophobicContact CD1-CE 3.54Å; Y587-M599 HydrophobicContact CD1-SD 4.24Å; Y587-M599 HydrophobicContact CD2-CB 4.46Å; Y587-M599 HydrophobicContact CE1-CB 4.19Å; Y587-M599 HydrophobicContact CE1-CE 3.66Å; Y587-M599 HydrophobicContact CE2-CB 4.46Å; Y587-M599 HydrophobicContact CG-CB 4.31Å; M599-S601 VanDerWaalsContact C-N 3.29Å; M599-S601 PolarHBondContact O-N 2.99Å; M599-L602 PolarHBondContact O-N 3.48Å; M599-L602 HydrophobicContact SD-CD2 4.29Å; M599-K603 HydrophobicContact CG-CD 4.24Å; M599-K603 WeakPolarHBondContact O-CG 3.47Å; M599-K603 PolarHBondContact O-N 3.07Å; M599-K603 HydrophobicContact SD-CD 4.42Å; M599-K603 HydrophobicContact SD-CG 4.41Å
600	D	68.6	Low	69.7	Low	80 Å²	80	77.3 Å²	77.3	43%	0.428	39%	0.387	S	S	.	.	H	α-helix	trans	-67	-31	177.9	-50.8	-50.5	0	0	0	112.7	Q576 R598 K604	Q576-D600 PolarHBondContact NE2-OD2 3.42Å; R598-D600 PolarHBondContact O-N 3.15Å; D600-K604 WeakPolarHBondContact O-CG 3.37Å; D600-K604 PolarHBondContact O-N 3.35Å; D600-K604 VanDerWaalsContact O-N 3.1Å
601	S	74.1	Confident	69.3	Low	47 Å²	47	82.1 Å²	82.1	33%	0.329	39%	0.392	S	S	.	.	H	α-helix	trans	-73.7	-41	176.1	-57.5	0	0	0	0	110.6	R598 M599 K604 H605	R598-S601 WeakPolarHBondContact O-CB 3.41Å; R598-S601 PolarHBondContact O-N 3.4Å; M599-S601 VanDerWaalsContact C-N 3.29Å; M599-S601 PolarHBondContact O-N 2.99Å; S601-K604 PolarHBondContact O-N 3.38Å; S601-H605 WeakPolarHBondContact O-CB 3.25Å; S601-H605 PolarHBondContact O-N 3.06Å
602	L	72.1	Confident	68.6	Low	10 Å²	10	84.8 Å²	84.8	5%	0.052	40%	0.399	C	S	.	.	H	α-helix	trans	-57.5	-51.8	170.9	172.6	58.4	0	0	0	110.9	C589 F596 R598 M599 K604 H605 E606	C589-L602 VanDerWaalsContact CA-CD1 3.48Å; C589-L602 HydrophobicContact CB-CD1 3.42Å; C589-L602 VanDerWaalsContact CB-CD1 3.42Å; F596-L602 HydrophobicContact CB-CB 4.45Å; F596-L602 HydrophobicContact CD2-CB 4.1Å; F596-L602 HydrophobicContact CD2-CD1 4.07Å; F596-L602 HydrophobicContact CE2-CD1 4.26Å; F596-L602 HydrophobicContact CG-CB 4.4Å; R598-L602 PolarHBondContact O-N 2.9Å; M599-L602 PolarHBondContact O-N 3.48Å; M599-L602 HydrophobicContact SD-CD2 4.29Å; L602-K604 PolarHBondContact O-N 3.37Å; L602-H605 CarbonylContact O-C 3.56Å; L602-H605 WeakPolarHBondContact O-CA 3.43Å; L602-H605 WeakPolarHBondContact O-CB 3.39Å; L602-H605 PolarHBondContact O-N 3.21Å; L602-E606 HydrophobicContact CD1-CG 3.84Å; L602-E606 WeakPolarHBondContact CD1-OE1 3.44Å; L602-E606 HydrophobicContact CG-CG 4.31Å; L602-E606 WeakPolarHBondContact CG-OE1 3.48Å; L602-E606 WeakPolarHBondContact O-CG 3.45Å; L602-E606 PolarHBondContact O-N 3.03Å
603	K	72	Confident	67.6	Low	117 Å²	117	86.7 Å²	86.7	51%	0.509	41%	0.406	S	S	.	.	H	α-helix	trans	-64.2	-22.7	178.8	-72.2	179	177.4	179.8	0	114.8	M599 E606 K607	M599-K603 HydrophobicContact CG-CD 4.24Å; M599-K603 WeakPolarHBondContact O-CG 3.47Å; M599-K603 PolarHBondContact O-N 3.07Å; M599-K603 HydrophobicContact SD-CD 4.42Å; M599-K603 HydrophobicContact SD-CG 4.41Å; K603-E606 WeakPolarHBondContact CA-OE2 3.45Å; K603-K607 WeakPolarHBondContact O-CG 3.42Å
604	K	75.8	Confident	66.6	Low	162 Å²	162	86.5 Å²	86.5	70%	0.704	41%	0.407	S	S	*	.	H	α-helix	trans	-77.6	-37.8	168.3	-78.2	179.1	178.2	-174.5	0	111.6	D600 S601 L602	D600-K604 WeakPolarHBondContact O-CG 3.37Å; D600-K604 PolarHBondContact O-N 3.35Å; D600-K604 VanDerWaalsContact O-N 3.1Å; S601-K604 PolarHBondContact O-N 3.38Å; L602-K604 PolarHBondContact O-N 3.37Å
605	H	76	Confident	65.4	Low	33 Å²	33	86.3 Å²	86.3	15%	0.153	41%	0.412	C	S	.	.	H	α-helix	trans	-70.6	-41.2	178.1	-179.3	46.1	0	0	0	113	C592 F596 S601 L602 K607 T608 H609	C592-H605 PolarHBondContact SG-NE2 2.86Å; F596-H605 HydrophobicContact CE1-CB 4.26Å; F596-H605 HydrophobicContact CE2-CB 4.1Å; F596-H605 AromaticContact CE2-CD2 3.43Å; F596-H605 VanDerWaalsContact CE2-CD2 3.43Å; F596-H605 WeakPolarHBondContact CE2-CD2 3.48Å; F596-H605 AromaticContact CE2-CG 3.98Å; F596-H605 HydrophobicContact CZ-CB 3.65Å; F596-H605 AromaticContact CZ-CD2 3.35Å; F596-H605 WeakPolarHBondContact CZ-CD2 3.4Å; F596-H605 AromaticContact CZ-CG 3.52Å; S601-H605 WeakPolarHBondContact O-CB 3.25Å; S601-H605 PolarHBondContact O-N 3.06Å; L602-H605 CarbonylContact O-C 3.56Å; L602-H605 WeakPolarHBondContact O-CA 3.43Å; L602-H605 WeakPolarHBondContact O-CB 3.39Å; L602-H605 PolarHBondContact O-N 3.21Å; H605-K607 PolarHBondContact O-N 3.03Å; H605-T608 PolarHBondContact ND1-OG1 3.01Å; H605-T608 WeakPolarHBondContact O-CA 3.46Å; H605-T608 WeakPolarHBondContact O-CB 3.38Å; H605-T608 PolarHBondContact O-N 3.33Å; H605-T608 PolarHBondContact O-OG1 2.82Å; H605-H609 AromaticContact CD2-NE2 3.84Å; H605-H609 AromaticContact CE1-CE1 3.86Å; H605-H609 AromaticContact CE1-NE2 3.51Å; H605-H609 AromaticContact NE2-CE1 3.86Å; H605-H609 AromaticContact NE2-NE2 3.19Å; H605-H609 PolarHBondContact NE2-NE2 2.83Å; H605-H609 VanDerWaalsContact NE2-NE2 3.19Å; H605-H609 PolarHBondContact O-N 3.1Å
606	E	73.3	Confident	64.6	Low	57 Å²	57	90.9 Å²	90.9	27%	0.266	43%	0.429	S	S	.	.	H	α-helix	trans	-57.2	-37.6	175	-70.5	165	157.1	0	0	111.5	L602 K603 T608 H609 N610	L602-E606 HydrophobicContact CD1-CG 3.84Å; L602-E606 WeakPolarHBondContact CD1-OE1 3.44Å; L602-E606 HydrophobicContact CG-CG 4.31Å; L602-E606 WeakPolarHBondContact CG-OE1 3.48Å; L602-E606 WeakPolarHBondContact O-CG 3.45Å; L602-E606 PolarHBondContact O-N 3.03Å; K603-E606 WeakPolarHBondContact CA-OE2 3.45Å; E606-T608 PolarHBondContact O-N 3.36Å; E606-H609 WeakPolarHBondContact O-CB 3.25Å; E606-H609 PolarHBondContact O-N 3.45Å; E606-N610 PolarHBondContact O-N 3.31Å; E606-N610 VanDerWaalsContact O-N 3.08Å; E606-N610 PolarHBondContact O-OD1 2.95Å
607	K	77.3	Confident	63.4	Low	145 Å²	145	95.1 Å²	95.1	63%	0.63	45%	0.45	S	S	*	.	H	α-helix	trans	-65.2	-18.9	172.8	-68.1	178.9	-178.2	-167	0	114.1	K603 H605 R611	K603-K607 WeakPolarHBondContact O-CG 3.42Å; H605-K607 PolarHBondContact O-N 3.03Å; K607-R611 WeakPolarHBondContact O-CG 3.44Å; K607-R611 PolarHBondContact O-N 2.92Å
608	T	73.4	Confident	62.7	Low	72 Å²	72	101.6 Å²	101.6	44%	0.442	48%	0.476	S	S	.	.	H	α-helix	trans	-79.3	-28.7	171	68.4	0	0	0	0	112.5	H605 E606 K612	H605-T608 PolarHBondContact ND1-OG1 3.01Å; H605-T608 WeakPolarHBondContact O-CA 3.46Å; H605-T608 WeakPolarHBondContact O-CB 3.38Å; H605-T608 PolarHBondContact O-N 3.33Å; H605-T608 PolarHBondContact O-OG1 2.82Å; E606-T608 PolarHBondContact O-N 3.36Å; T608-K612 PolarHBondContact O-N 3.34Å
609	H	72.3	Confident	61.6	Low	33 Å²	33	104.6 Å²	104.6	15%	0.153	50%	0.498	C	S	.	.	H	α-helix	trans	-69.8	-47.1	169.7	-64.8	-55.6	0	0	0	110.9	L591 C592 H605 E606 R611 K612 I613	L591-H609 HydrophobicContact CD1-CB 3.68Å; C592-H609 PolarHBondContact SG-NE2 2.85Å; H605-H609 AromaticContact CD2-NE2 3.84Å; H605-H609 AromaticContact CE1-CE1 3.86Å; H605-H609 AromaticContact CE1-NE2 3.51Å; H605-H609 AromaticContact NE2-CE1 3.86Å; H605-H609 AromaticContact NE2-NE2 3.19Å; H605-H609 PolarHBondContact NE2-NE2 2.83Å; H605-H609 VanDerWaalsContact NE2-NE2 3.19Å; H605-H609 PolarHBondContact O-N 3.1Å; E606-H609 WeakPolarHBondContact O-CB 3.25Å; E606-H609 PolarHBondContact O-N 3.45Å; H609-R611 PolarHBondContact O-N 3.45Å; H609-K612 WeakPolarHBondContact O-CA 3.27Å; H609-K612 WeakPolarHBondContact O-CB 3.32Å; H609-K612 PolarHBondContact O-N 2.8Å; H609-I613 WeakPolarHBondContact O-CG1 3.31Å; H609-I613 PolarHBondContact O-N 3.28Å
610	N	60.8	Low	60.7	Low	88 Å²	88	109 Å²	109	47%	0.471	52%	0.518	S	S	.	.	H	α-helix	trans	-58.6	-36.5	178	-65.7	10.5	0	0	0	112.2	E606 I613 Q614	E606-N610 PolarHBondContact O-N 3.31Å; E606-N610 VanDerWaalsContact O-N 3.08Å; E606-N610 PolarHBondContact O-OD1 2.95Å; N610-I613 PolarHBondContact O-N 3.17Å; N610-Q614 WeakPolarHBondContact O-CG 3.44Å; N610-Q614 PolarHBondContact O-N 3.47Å; N610-Q614 VanDerWaalsContact O-N 3.08Å
611	R	58.7	Low	59.3	Low	187 Å²	187	108.3 Å²	108.3	71%	0.706	53%	0.53	S	S	*	.	H	α-helix	trans	-67.8	-32.1	172.2	-79	-178.4	171.3	-167.3	-4.9	114	K607 H609 N615	K607-R611 WeakPolarHBondContact O-CG 3.44Å; K607-R611 PolarHBondContact O-N 2.92Å; H609-R611 PolarHBondContact O-N 3.45Å; R611-N615 PolarHBondContact O-N 3Å; R611-N615 PolarHBondContact O-OD1 2.92Å
612	K	55	Low	57.7	Low	155 Å²	155	115 Å²	115	67%	0.674	56%	0.556	S	S	*	*	H	α-helix	trans	-73.3	-38.4	173.6	-79.6	-164.6	166	-152.5	0	112.4	T608 H609 Q614 N615 H616	T608-K612 PolarHBondContact O-N 3.34Å; H609-K612 WeakPolarHBondContact O-CA 3.27Å; H609-K612 WeakPolarHBondContact O-CB 3.32Å; H609-K612 PolarHBondContact O-N 2.8Å; K612-Q614 VanDerWaalsContact C-N 3.34Å; K612-N615 PolarHBondContact O-N 3.01Å; K612-H616 PolarHBondContact O-N 3.04Å
613	I	54.9	Low	56.4	Low	83 Å²	83	123.3 Å²	123.3	43%	0.426	59%	0.594	S	S	.	*	H	α-helix	trans	-63.8	-41.2	177	-65.8	162.8	0	0	0	110.4	H609 N610 N615 H616 H617	H609-I613 WeakPolarHBondContact O-CG1 3.31Å; H609-I613 PolarHBondContact O-N 3.28Å; N610-I613 PolarHBondContact O-N 3.17Å; I613-N615 PolarHBondContact O-N 3.33Å; I613-H616 PolarHBondContact O-N 3.47Å; I613-H617 PolarHBondContact O-CD2 2.91Å; I613-H617 PolarHBondContact O-N 3.39Å
614	Q	48.6	Very low	54.6	Low	141 Å²	141	124.5 Å²	124.5	66%	0.659	61%	0.606	S	S	*	*	H	α-helix	trans	-62.5	-27.8	174.4	-74.1	-176.1	-61.9	0	0	114	N610 K612	N610-Q614 WeakPolarHBondContact O-CG 3.44Å; N610-Q614 PolarHBondContact O-N 3.47Å; N610-Q614 VanDerWaalsContact O-N 3.08Å; K612-Q614 VanDerWaalsContact C-N 3.34Å
615	N	46.3	Very low	52.8	Low	127 Å²	127	126.1 Å²	126.1	68%	0.679	62%	0.616	S	S	*	*	H	α-helix	trans	-81.9	-24	176.4	-77.9	35.8	0	0	0	113.5	R611 K612 I613	R611-N615 PolarHBondContact O-N 3Å; R611-N615 PolarHBondContact O-OD1 2.92Å; K612-N615 PolarHBondContact O-N 3.01Å; I613-N615 PolarHBondContact O-N 3.33Å
616	H	48	Very low	51.1	Low	129 Å²	129	130.8 Å²	130.8	60%	0.597	65%	0.647	S	S	*	*	H	α-helix	trans	-78.3	-31.2	176.5	-99.1	-75.3	0	0	0	112.8	K612 I613 H618 D619	K612-H616 PolarHBondContact O-N 3.04Å; I613-H616 PolarHBondContact O-N 3.47Å; H616-H618 PolarHBondContact O-N 2.75Å; H616-D619 PolarHBondContact O-N 3.02Å
617	H	43.9	Very low	49.4	Very low	139 Å²	139	133.4 Å²	133.4	64%	0.644	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	36.1	176.5	-70.8	-59.2	0	0	0	114.3	I613	I613-H617 PolarHBondContact O-CD2 2.91Å; I613-H617 PolarHBondContact O-N 3.39Å
618	H	41.9	Very low	47.4	Very low	170 Å²	170	133.9 Å²	133.9	79%	0.787	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.2	-17.6	169.6	-99.2	25.1	0	0	0	114.2	H616	H616-H618 PolarHBondContact O-N 2.75Å
619	D	41.8	Very low	45.7	Very low	147 Å²	147	138.9 Å²	138.9	79%	0.786	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-16.8	177.3	-72.4	-48.1	0	0	0	113.7	H616	H616-D619 PolarHBondContact O-N 3.02Å
620	E	41.1	Very low	44.3	Very low	166 Å²	166	147 Å²	147	78%	0.776	74%	0.738	S	S	*	*	S	Bend	trans	-104.3	38.9	-179.7	-63.2	-178.2	165.2	0	0	111.9
621	G	38.3	Very low	43.2	Very low	66 Å²	66	150.1 Å²	150.1	68%	0.68	79%	0.791	S	S	*	*			trans	-102.5	-14.7	-169.5	0	0	0	0	0	117.2
622	E	40	Very low	42.4	Very low	187 Å²	187	148.3 Å²	148.3	87%	0.874	80%	0.795	S	S	*	*	S	Bend	trans	-132.6	73.6	-173.6	-68.2	-164.8	151.8	0	0	112.8
623	H	44.9	Very low	41.7	Very low	185 Å²	185	147.9 Å²	147.9	86%	0.856	80%	0.802	S	S	*	*			trans	-158.9	158	149.5	-113.8	-79.8	0	0	0	111.6
624	D	35.4	Very low	41	Very low	143 Å²	143	151.5 Å²	151.5	77%	0.765	82%	0.822	S	S	*	*			trans	58.6	77.3	173.7	-72.9	12.7	0	0	0	118.8
625	Q	38	Very low	40.6	Very low	196 Å²	196	152.1 Å²	152.1	92%	0.916	83%	0.832	S	S	*	*			trans	-125.6	86	140.3	-76	-164.5	3.8	0	0	111.6
626	T	40	Very low	40.2	Very low	130 Å²	130	153.7 Å²	153.7	80%	0.798	84%	0.842	S	S	*	*			trans	-155.7	156.3	151.4	28.3	0	0	0	0	110.2
627	S	36	Very low	39.7	Very low	112 Å²	112	155.3 Å²	155.3	78%	0.783	86%	0.858	S	S	*	*			trans	71.6	140.1	179.6	87.9	0	0	0	0	115.1
628	L	35.5	Very low	39.4	Very low	156 Å²	156	156.5 Å²	156.5	82%	0.817	87%	0.873	S	S	*	*			cis	-125.7	146.7	-8.1	-78.7	94.1	0	0	0	111.9
629	L	39	Very low	39.2	Very low	177 Å²	177	155.5 Å²	155.5	93%	0.927	88%	0.88	S	S	*	*			trans	-123.5	97.7	158.6	-123.5	174.9	0	0	0	107.5
630	K	42	Very low	39	Very low	203 Å²	203	156.2 Å²	156.2	88%	0.883	89%	0.888	S	S	*	*			trans	-176.4	130.4	166.5	-107.9	163.8	-174.4	179.1	0	109.5
631	G	37.6	Very low	38.8	Very low	153 Å²	153	155.3 Å²	155.3	100%	1.577	90%	0.898	S	S	*	*			trans	148.8	0	-170.5	0	0	0	0	0	108.8

Retrieved 631 of 631 residues in 654.5 ms (Link to these results)

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