A0A087XZE7_POEFO Loading...

Amino acid transporter heavy chain SLC3A1

AlphaFold DB , UniProt , Accession A0A087XZE7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 687 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.4	Very low	25.6	Very low	249 Å²	249	170.5 Å²	170.5	100%	1.227	90%	0.901	S	S	*	*				0	123	0	-77.2	175.6	175.8	0	0	106.1
2	S	23.8	Very low	25.6	Very low	118 Å²	118	170.8 Å²	170.8	83%	0.825	90%	0.902	S	S	*	*			cis	-145.1	140.3	24.5	176.5	0	0	0	0	109.1
3	L	22.1	Very low	25.6	Very low	165 Å²	165	172.5 Å²	172.5	86%	0.864	90%	0.902	S	S	*	*			trans	-64.9	139	168.8	-73.6	142.3	0	0	0	110.7
4	K	24.4	Very low	25.9	Very low	213 Å²	213	173.8 Å²	173.8	93%	0.926	90%	0.901	S	S	*	*			trans	-141.8	110	146.7	-101.3	-176.4	-178.6	179.5	0	109.8
5	K	26	Very low	26.1	Very low	202 Å²	202	171.2 Å²	171.2	88%	0.878	90%	0.896	S	S	*	*			trans	-73.3	130.5	171.4	-134.4	175	-178.1	179.9	0	107.5
6	N	26.2	Very low	26.4	Very low	168 Å²	168	171.3 Å²	171.3	90%	0.898	90%	0.896	S	S	*	*			trans	-127.6	130.4	158.4	-112	4.3	0	0	0	109.2
7	S	28.5	Very low	26.6	Very low	122 Å²	122	175.4 Å²	175.4	85%	0.853	90%	0.897	S	S	*	*			trans	-80.6	127.9	-175.8	46.5	0	0	0	0	111.4
8	G	25.8	Very low	26.8	Very low	73 Å²	73	174.4 Å²	174.4	75%	0.753	89%	0.894	S	S	*	*			trans	-136.7	100.6	162	0	0	0	0	0	108.6
9	Q	24.8	Very low	27.1	Very low	201 Å²	201	171.6 Å²	171.6	94%	0.939	89%	0.888	S	S	*	*	P	Polyproline II helix	trans	-68.8	121.6	166.4	-96.8	170.9	-56.7	0	0	107.9
10	M	25.1	Very low	27.1	Very low	183 Å²	183	166.6 Å²	166.6	90%	0.901	88%	0.88	S	S	*	*	P	Polyproline II helix	trans	-88.7	116.9	162.5	-92.2	173.2	59.3	0	0	108
11	E	25.9	Very low	27	Very low	181 Å²	181	168.9 Å²	168.9	85%	0.846	88%	0.883	S	S	*	*	P	Polyproline II helix	trans	-68.2	138.3	166.9	-75.1	176.1	144.2	0	0	110	E13	E11-E13 PolarHBondContact O-N 3.36Å
12	L	25	Very low	27	Very low	175 Å²	175	165.5 Å²	165.5	92%	0.916	86%	0.862	S	S	*	*			trans	-80.1	105.8	168.8	-89.4	139.9	0	0	0	107.8	E14	L12-E14 PolarHBondContact O-N 3.26Å
13	E	25.6	Very low	27.3	Very low	193 Å²	193	167.3 Å²	167.3	90%	0.902	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-77.1	118.7	168.5	-81.7	-171.8	152.2	0	0	110.3	E11	E11-E13 PolarHBondContact O-N 3.36Å
14	E	29.8	Very low	27.7	Very low	190 Å²	190	163.3 Å²	163.3	89%	0.888	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-72.6	152.7	172.6	-82	-176.8	145.6	0	0	112.4	L12	L12-E14 PolarHBondContact O-N 3.26Å
15	T	29.2	Very low	27.9	Very low	135 Å²	135	160.4 Å²	160.4	83%	0.828	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-68.4	136.7	-173.2	22.1	0	0	0	0	113.5	R17	T15-R17 PolarHBondContact O-N 3.44Å
16	I	31.1	Very low	28.1	Very low	173 Å²	173	158.4 Å²	158.4	89%	0.887	85%	0.846	S	S	*	*			trans	-58.7	115.7	170	-62.6	166.6	0	0	0	109.8
17	R	29.4	Very low	28.2	Very low	241 Å²	241	153.8 Å²	153.8	91%	0.909	84%	0.839	S	S	*	*			trans	-111.9	133.2	161	-90.6	-172.5	177.4	-171.9	1	110.5	T15	T15-R17 PolarHBondContact O-N 3.44Å
18	N	29.9	Very low	28.2	Very low	158 Å²	158	151.5 Å²	151.5	85%	0.845	83%	0.834	S	S	*	*			trans	-55.4	138	179.3	-139.5	-4.7	0	0	0	112.6
19	P	33	Very low	28.2	Very low	120 Å²	120	153.6 Å²	153.6	78%	0.779	84%	0.837	S	S	*	*			trans	-91.9	139.4	177	34.9	-28.7	0	0	0	111
20	G	26.8	Very low	28.5	Very low	72 Å²	72	148.4 Å²	148.4	74%	0.742	83%	0.829	S	S	*	*			trans	153.8	70.4	162.5	0	0	0	0	0	116.7
21	F	25.6	Very low	28.7	Very low	214 Å²	214	144.1 Å²	144.1	94%	0.939	82%	0.822	S	S	*	*			trans	-159.3	126.1	132.1	-137.1	-98.1	0	0	0	108.8
22	K	29.2	Very low	28.8	Very low	179 Å²	179	142.7 Å²	142.7	78%	0.778	82%	0.82	S	S	*	*			trans	-104.4	166.3	178.9	-106.5	-168.8	178.3	-173.6	0	109.8
23	D	30	Very low	28.9	Very low	155 Å²	155	140.6 Å²	140.6	83%	0.829	82%	0.815	S	S	*	*			trans	99.7	126.8	164.8	-53.9	-20.6	0	0	0	113.9
24	A	29.7	Very low	29	Very low	81 Å²	81	137.3 Å²	137.3	67%	0.669	81%	0.814	S	S	*	*			cis	-162.5	154.2	-3.2	0	0	0	0	0	107.9
25	D	30.2	Very low	28.9	Very low	153 Å²	153	133.5 Å²	133.5	82%	0.818	81%	0.808	S	S	*	*			trans	28.8	137	144.6	-55	-21	0	0	0	118.7
26	D	29.5	Very low	28.8	Very low	159 Å²	159	133.2 Å²	133.2	85%	0.85	81%	0.812	S	S	*	*			cis	-179.8	157.4	39.5	-149	-11.7	0	0	0	109.4
27	G	28.2	Very low	28.7	Very low	72 Å²	72	128.8 Å²	128.8	74%	0.742	81%	0.809	S	S	*	*			trans	75	106.2	144.1	0	0	0	0	0	122.9
28	G	28.1	Very low	28.8	Very low	73 Å²	73	124.3 Å²	124.3	75%	0.753	81%	0.808	S	S	*	*				97.7	93.1	109.8	0	0	0	0	0	121.7
29	S	27.3	Very low	28.8	Very low	118 Å²	118	120.8 Å²	120.8	83%	0.825	81%	0.809	S	S	*	*			trans	55.4	133.1	132	81.6	0	0	0	0	125
30	A	29.9	Very low	28.8	Very low	92 Å²	92	123.5 Å²	123.5	76%	0.76	81%	0.811	S	S	*	*			trans	70.4	112.3	138.1	0	0	0	0	0	118.3
31	A	28.7	Very low	28.8	Very low	92 Å²	92	129.9 Å²	129.9	76%	0.76	81%	0.813	S	S	*	*				81.9	134.4	67.7	0	0	0	0	0	114.4
32	D	28.2	Very low	29.4	Very low	151 Å²	151	130.4 Å²	130.4	81%	0.807	81%	0.809	S	S	*	*			trans	83.9	89.4	159.4	-63.3	-13.5	0	0	0	121.1
33	T	26.6	Very low	29.4	Very low	132 Å²	132	129.5 Å²	129.5	81%	0.81	81%	0.812	S	S	*	*				-12.7	130.5	125.9	47.8	0	0	0	0	117.4
34	S	28.2	Very low	29.9	Very low	124 Å²	124	126.4 Å²	126.4	87%	0.867	80%	0.803	S	S	*	*			trans	-155.1	148.6	131.5	65.1	0	0	0	0	111.8
35	S	28.4	Very low	29.9	Very low	110 Å²	110	129.3 Å²	129.3	77%	0.769	81%	0.813	S	S	*	*			trans	-91.4	158.1	-163.7	54.7	0	0	0	0	113.6
36	S	27.8	Very low	30.4	Very low	129 Å²	129	127 Å²	127	90%	0.902	81%	0.814	S	S	*	*				157.7	147.5	129.5	55.4	0	0	0	0	111.6
37	G	28.5	Very low	30.7	Very low	80 Å²	80	126 Å²	126	83%	0.825	81%	0.814	S	S	*	*			trans	127.1	98.6	156.5	0	0	0	0	0	116.2
38	T	31.6	Very low	31.3	Very low	147 Å²	147	131.9 Å²	131.9	90%	0.902	82%	0.819	S	S	*	*			trans	-70.2	151.6	171.7	46	0	0	0	0	114.5
39	G	29.6	Very low	31.9	Very low	83 Å²	83	136 Å²	136	86%	0.856	82%	0.823	S	S	*	*			trans	113.4	108.8	141	0	0	0	0	0	118.6
40	E	32.2	Very low	32.7	Very low	178 Å²	178	136.7 Å²	136.7	83%	0.832	82%	0.817	S	S	*	*			trans	-14.5	146.6	168.5	-70.2	-176.1	123.4	0	0	124.8
41	R	28.3	Very low	33.5	Very low	206 Å²	206	136.1 Å²	136.1	78%	0.777	81%	0.813	S	S	*	*			trans	87.5	108.6	141.1	-91	-178.8	-177.8	-174.6	2.4	121.9
42	R	38.3	Very low	34.6	Very low	225 Å²	225	134.7 Å²	134.7	85%	0.849	80%	0.801	S	S	*	*			trans	50.9	115.7	140.3	-68.8	-177.7	177.5	173.9	-1.6	118.4
43	D	28	Very low	35.6	Very low	159 Å²	159	129.5 Å²	129.5	85%	0.85	78%	0.779	S	S	*	*				-169.2	163.9	96.7	-129.9	-21.7	0	0	0	113.9
44	S	39.7	Very low	36.7	Very low	91 Å²	91	130.1 Å²	130.1	64%	0.636	77%	0.773	S	S	*	*			trans	-40.3	145.2	-175.3	63.6	0	0	0	0	119.7
45	T	31.2	Very low	37.9	Very low	142 Å²	142	131.1 Å²	131.1	87%	0.871	76%	0.764	S	S	*	*				-169.4	133	117.4	14.7	0	0	0	0	112
46	A	40.4	Very low	39	Very low	103 Å²	103	129.6 Å²	129.6	85%	0.851	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-72	133.1	-176.2	0	0	0	0	0	112.5
47	V	35.2	Very low	40.3	Very low	140 Å²	140	127.9 Å²	127.9	85%	0.848	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-102.1	120.8	158.1	178.8	0	0	0	0	107.3	L49	V47-L49 PolarHBondContact O-N 3.13Å
48	K	41.9	Very low	41.5	Very low	195 Å²	195	132.3 Å²	132.3	85%	0.848	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-55.1	124.7	178.8	-74.6	170.9	168.4	177.6	0	110.7
49	L	40.2	Very low	43	Very low	158 Å²	158	128.6 Å²	128.6	83%	0.827	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-82.3	124.3	161.3	-96.6	138	0	0	0	108	V47	V47-L49 PolarHBondContact O-N 3.13Å
50	D	44.1	Very low	45.1	Very low	134 Å²	134	133 Å²	133	72%	0.717	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-57.9	149.7	-172.8	-75.4	-47.5	0	0	0	114.5	A52 A53	D50-A52 PolarHBondContact O-N 3.47Å; D50-A53 WeakPolarHBondContact O-CB 3.44Å; D50-A53 PolarHBondContact O-N 3.25Å
51	A	47	Very low	47.5	Very low	80 Å²	80	128.2 Å²	128.2	66%	0.661	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.2	-12.4	-172.9	0	0	0	0	0	116.8	A53	A51-A53 VanDerWaalsContact C-N 3.35Å
52	A	51.3	Low	50.2	Low	62 Å²	62	123.6 Å²	123.6	51%	0.512	66%	0.662	S	S	.	*	H	α-helix	trans	-71.1	-29.7	170.6	0	0	0	0	0	112.5	D50 E54 E55 Y56	D50-A52 PolarHBondContact O-N 3.47Å; A52-E54 VanDerWaalsContact C-N 3.29Å; A52-E54 PolarHBondContact O-N 3.15Å; A52-E55 PolarHBondContact O-N 2.81Å; A52-Y56 WeakPolarHBondContact O-CD2 3.27Å
53	A	50.2	Low	52.6	Low	42 Å²	42	117.6 Å²	117.6	35%	0.347	66%	0.661	S	S	.	*	H	α-helix	trans	-68.2	-29	177.6	0	0	0	0	0	112.4	D50 A51 T57	D50-A53 WeakPolarHBondContact O-CB 3.44Å; D50-A53 PolarHBondContact O-N 3.25Å; A51-A53 VanDerWaalsContact C-N 3.35Å; A53-T57 WeakPolarHBondContact O-CG2 3.47Å; A53-T57 PolarHBondContact O-N 3.44Å
54	E	49.2	Very low	55.5	Low	145 Å²	145	113.7 Å²	113.7	68%	0.678	66%	0.658	S	S	*	*	H	α-helix	trans	-70.7	-34.8	178.4	-76.4	-173.5	154.6	0	0	112.4	A52 Y56 T57	A52-E54 VanDerWaalsContact C-N 3.29Å; A52-E54 PolarHBondContact O-N 3.15Å; E54-Y56 VanDerWaalsContact C-N 3.28Å; E54-Y56 PolarHBondContact O-N 3.24Å; E54-T57 PolarHBondContact O-N 3.02Å; E54-T57 PolarHBondContact O-OG1 3.18Å
55	E	52.9	Low	57.9	Low	145 Å²	145	112 Å²	112	68%	0.678	64%	0.641	S	S	*	*	H	α-helix	trans	-65.7	-31.5	178.9	-151.2	173.2	-158.3	0	0	112.1	A52	A52-E55 PolarHBondContact O-N 2.81Å
56	Y	52	Low	60.5	Low	78 Å²	78	107.3 Å²	107.3	31%	0.306	61%	0.613	S	S	.	*	H	α-helix	trans	-81.8	-22.4	178.3	-64	-65.1	0	0	0	115	A52 E54 Q58 L59 E68 V69 L72	A52-Y56 WeakPolarHBondContact O-CD2 3.27Å; E54-Y56 VanDerWaalsContact C-N 3.28Å; E54-Y56 PolarHBondContact O-N 3.24Å; Y56-Q58 PolarHBondContact O-N 2.58Å; Y56-L59 HydrophobicContact CD1-CD1 3.62Å; Y56-L59 HydrophobicContact CE1-CD1 4.19Å; Y56-L59 PolarHBondContact O-N 3.16Å; Y56-E68 HydrophobicContact CD2-CB 4.27Å; Y56-E68 HydrophobicContact CE2-CB 4.49Å; Y56-E68 HydrophobicContact CG-CB 4.46Å; Y56-V69 HydrophobicContact CD1-CG2 3.32Å; Y56-V69 HydrophobicContact CE1-CG2 3.99Å; Y56-V69 HydrophobicContact CG-CG2 4.1Å; Y56-L72 WeakPolarHBondContact O-CD1 3.28Å
57	T	53.8	Low	62.9	Low	92 Å²	92	109.6 Å²	109.6	56%	0.564	60%	0.604	S	S	*	*	H	α-helix	trans	-68.4	-17.8	-179.5	52.8	0	0	0	0	114.2	A53 E54 L72	A53-T57 WeakPolarHBondContact O-CG2 3.47Å; A53-T57 PolarHBondContact O-N 3.44Å; E54-T57 PolarHBondContact O-N 3.02Å; E54-T57 PolarHBondContact O-OG1 3.18Å; T57-L72 HydrophobicContact CG2-CD1 4.47Å; T57-L72 HydrophobicContact CG2-CD2 4.46Å
58	Q	54.9	Low	65.4	Low	174 Å²	174	107.8 Å²	107.8	81%	0.813	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	-4.4	176.7	-62	-156.9	5.7	0	0	114.4	Y56 K60	Y56-Q58 PolarHBondContact O-N 2.58Å; Q58-K60 PolarHBondContact O-N 3.39Å
59	L	63.2	Low	67.4	Low	68 Å²	68	98.5 Å²	98.5	36%	0.356	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-78.4	116.4	-177.5	-85.5	158.1	0	0	0	111.4	Y56 Y62 V69 H73	Y56-L59 HydrophobicContact CD1-CD1 3.62Å; Y56-L59 HydrophobicContact CE1-CD1 4.19Å; Y56-L59 PolarHBondContact O-N 3.16Å; L59-Y62 HydrophobicContact CD2-CE1 4.32Å; L59-V69 HydrophobicContact CB-CG1 4.43Å; L59-V69 HydrophobicContact CD1-CG2 4.38Å; L59-H73 PolarHBondContact O-NE2 3.21Å
60	K	74.3	Confident	69.7	Low	175 Å²	175	94.9 Å²	94.9	76%	0.761	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-64.5	149.7	169.6	-71.7	-177	-179.7	176.6	0	109.7	Q58 Y62	Q58-K60 PolarHBondContact O-N 3.39Å; K60-Y62 WeakPolarHBondContact O-CD1 3.38Å; K60-Y62 PolarHBondContact O-N 3.3Å
61	P	82.1	Confident	71.9	Confident	78 Å²	78	93.4 Å²	93.4	51%	0.506	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-61.4	132.1	178	24.2	-32.6	0	0	0	111.4	M65	P61-M65 VanDerWaalsContact CA-SD 3.59Å; P61-M65 HydrophobicContact CB-CE 4.13Å; P61-M65 HydrophobicContact CB-SD 3.78Å
62	Y	85.1	Confident	73.7	Confident	109 Å²	109	93.1 Å²	93.1	43%	0.427	51%	0.505	S	S	.	.			trans	-130.7	173.7	176.3	60.9	-88.1	0	0	0	110.4	L59 K60 M65 P66 V69	L59-Y62 HydrophobicContact CD2-CE1 4.32Å; K60-Y62 WeakPolarHBondContact O-CD1 3.38Å; K60-Y62 PolarHBondContact O-N 3.3Å; Y62-M65 HydrophobicContact CD1-CG 4.09Å; Y62-M65 HydrophobicContact CD2-CG 4.45Å; Y62-M65 HydrophobicContact CE1-CG 4.09Å; Y62-M65 HydrophobicContact CE2-CG 4.45Å; Y62-M65 HydrophobicContact CG-CG 4.27Å; Y62-M65 VanDerWaalsContact O-CG 3.3Å; Y62-M65 WeakPolarHBondContact O-CG 3.11Å; Y62-P66 WeakPolarHBondContact OH-CD 3.36Å; Y62-V69 HydrophobicContact CE1-CG1 4.43Å
63	A	88.4	Confident	75.4	Confident	99 Å²	99	91.4 Å²	91.4	82%	0.818	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	133.9	178.8	0	0	0	0	0	111.2
64	G	89.1	Confident	77.3	Confident	77 Å²	77	90.3 Å²	90.3	79%	0.794	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	35.6	179.7	0	0	0	0	0	114.6
65	M	89.6	Confident	79.1	Confident	55 Å²	55	86.8 Å²	86.8	27%	0.271	47%	0.468	S	S	.	.			trans	-56.6	137.6	177.9	-74.7	173.9	-68.9	0	0	112.5	P61 Y62 V69 L70	P61-M65 VanDerWaalsContact CA-SD 3.59Å; P61-M65 HydrophobicContact CB-CE 4.13Å; P61-M65 HydrophobicContact CB-SD 3.78Å; Y62-M65 HydrophobicContact CD1-CG 4.09Å; Y62-M65 HydrophobicContact CD2-CG 4.45Å; Y62-M65 HydrophobicContact CE1-CG 4.09Å; Y62-M65 HydrophobicContact CE2-CG 4.45Å; Y62-M65 HydrophobicContact CG-CG 4.27Å; Y62-M65 VanDerWaalsContact O-CG 3.3Å; Y62-M65 WeakPolarHBondContact O-CG 3.11Å; M65-V69 HydrophobicContact CB-CB 4.29Å; M65-V69 HydrophobicContact CB-CG1 4.34Å; M65-V69 HydrophobicContact CG-CB 4.38Å; M65-V69 HydrophobicContact CG-CG1 3.9Å; M65-V69 HydrophobicContact SD-CG1 3.77Å; M65-L70 HydrophobicContact CE-CD1 4.33Å
66	P	86.7	Confident	80.9	Confident	45 Å²	45	85.4 Å²	85.4	29%	0.292	46%	0.457	S	S	.	.			trans	-70.8	164.8	168.9	32.4	-35.2	0	0	0	110.6	Y62 E68 V69 L70	Y62-P66 WeakPolarHBondContact OH-CD 3.36Å; P66-E68 VanDerWaalsContact C-N 3.26Å; P66-E68 PolarHBondContact O-N 3.29Å; P66-V69 HydrophobicContact CG-CB 4.35Å; P66-V69 HydrophobicContact CG-CG2 3.91Å; P66-V69 PolarHBondContact O-N 3.01Å; P66-L70 PolarHBondContact O-N 3.43Å
67	K	89.9	Confident	82.8	Confident	151 Å²	151	85.1 Å²	85.1	66%	0.657	47%	0.47	S	S	*	.	H	α-helix	trans	-53.8	-42.2	-172.6	180	-176.8	175.8	-175.5	0	112.5	V69 L70 L71	K67-V69 PolarHBondContact O-N 3.1Å; K67-L70 PolarHBondContact O-N 2.96Å; K67-L71 HydrophobicContact CG-CD1 4.08Å; K67-L71 WeakPolarHBondContact O-CG 3.13Å; K67-L71 PolarHBondContact O-N 3.45Å; K67-L71 VanDerWaalsContact O-N 3.07Å
68	E	87.6	Confident	84.7	Confident	101 Å²	101	87.8 Å²	87.8	47%	0.472	47%	0.47	S	S	.	.	H	α-helix	trans	-62.2	-43.6	-176.2	-61.5	68.4	-146.6	0	0	110.9	Y56 P66	Y56-E68 HydrophobicContact CD2-CB 4.27Å; Y56-E68 HydrophobicContact CE2-CB 4.49Å; Y56-E68 HydrophobicContact CG-CB 4.46Å; P66-E68 VanDerWaalsContact C-N 3.26Å; P66-E68 PolarHBondContact O-N 3.29Å
69	V	84.4	Confident	86.5	Confident	0 Å²	0	84.8 Å²	84.8	0%	0	45%	0.452	C	S	.	.	H	α-helix	trans	-73.2	-37.2	177.4	-177.6	0	0	0	0	111.3	Y56 L59 Y62 M65 P66 K67 L71 L72 H73	Y56-V69 HydrophobicContact CD1-CG2 3.32Å; Y56-V69 HydrophobicContact CE1-CG2 3.99Å; Y56-V69 HydrophobicContact CG-CG2 4.1Å; L59-V69 HydrophobicContact CB-CG1 4.43Å; L59-V69 HydrophobicContact CD1-CG2 4.38Å; Y62-V69 HydrophobicContact CE1-CG1 4.43Å; M65-V69 HydrophobicContact CB-CB 4.29Å; M65-V69 HydrophobicContact CB-CG1 4.34Å; M65-V69 HydrophobicContact CG-CB 4.38Å; M65-V69 HydrophobicContact CG-CG1 3.9Å; M65-V69 HydrophobicContact SD-CG1 3.77Å; P66-V69 HydrophobicContact CG-CB 4.35Å; P66-V69 HydrophobicContact CG-CG2 3.91Å; P66-V69 PolarHBondContact O-N 3.01Å; K67-V69 PolarHBondContact O-N 3.1Å; V69-L71 PolarHBondContact O-N 2.92Å; V69-L72 PolarHBondContact O-N 2.9Å; V69-H73 PolarHBondContact O-CD2 3.34Å
70	L	88.8	Confident	87.9	Confident	83 Å²	83	88.3 Å²	88.3	44%	0.435	46%	0.461	S	S	.	.	H	α-helix	trans	-64.8	-38.5	179.9	-179.6	63.3	0	0	0	112.8	M65 P66 K67 L72 H73 S74	M65-L70 HydrophobicContact CE-CD1 4.33Å; P66-L70 PolarHBondContact O-N 3.43Å; K67-L70 PolarHBondContact O-N 2.96Å; L70-L72 VanDerWaalsContact C-N 3.28Å; L70-L72 PolarHBondContact O-N 3.08Å; L70-H73 PolarHBondContact O-N 2.92Å; L70-S74 VanDerWaalsContact O-CB 3.25Å; L70-S74 WeakPolarHBondContact O-CB 3.36Å; L70-S74 PolarHBondContact O-N 3.5Å; L70-S74 PolarHBondContact O-OG 3.4Å
71	L	88.8	Confident	88.8	Confident	103 Å²	103	84.2 Å²	84.2	54%	0.539	45%	0.45	S	S	.	.	H	α-helix	trans	-65.2	-30.1	-178.7	-73.1	171.4	0	0	0	112.9	K67 V69 H73 S75	K67-L71 HydrophobicContact CG-CD1 4.08Å; K67-L71 WeakPolarHBondContact O-CG 3.13Å; K67-L71 PolarHBondContact O-N 3.45Å; K67-L71 VanDerWaalsContact O-N 3.07Å; V69-L71 PolarHBondContact O-N 2.92Å; L71-H73 VanDerWaalsContact C-N 3.29Å; L71-H73 PolarHBondContact O-N 3.13Å; L71-S75 PolarHBondContact O-OG 3.36Å
72	L	85.7	Confident	89.5	Confident	74 Å²	74	83.4 Å²	83.4	39%	0.387	45%	0.445	S	S	.	.	H	α-helix	trans	-67.9	-26.4	176.4	-64.8	171.5	0	0	0	113.3	Y56 T57 V69 L70	Y56-L72 WeakPolarHBondContact O-CD1 3.28Å; T57-L72 HydrophobicContact CG2-CD1 4.47Å; T57-L72 HydrophobicContact CG2-CD2 4.46Å; V69-L72 PolarHBondContact O-N 2.9Å; L70-L72 VanDerWaalsContact C-N 3.28Å; L70-L72 PolarHBondContact O-N 3.08Å
73	H	86.3	Confident	90.1	Very high	25 Å²	25	84.3 Å²	84.3	12%	0.116	45%	0.447	C	S	.	.	H	α-helix	trans	-108.3	-35.2	-176.2	-63.7	-71.7	0	0	0	113.5	L59 V69 L70 L71 S75 R76 Y79	L59-H73 PolarHBondContact O-NE2 3.21Å; V69-H73 PolarHBondContact O-CD2 3.34Å; L70-H73 PolarHBondContact O-N 2.92Å; L71-H73 VanDerWaalsContact C-N 3.29Å; L71-H73 PolarHBondContact O-N 3.13Å; H73-S75 VanDerWaalsContact C-N 3.3Å; H73-S75 PolarHBondContact O-N 3.22Å; H73-R76 PolarHBondContact CE1-NH2 3.12Å; H73-R76 PolarHBondContact ND1-NH2 3.13Å; H73-R76 VanDerWaalsContact ND1-NH2 3.1Å; H73-R76 WeakPolarHBondContact O-CB 3.46Å; H73-R76 VanDerWaalsContact O-CG 3.28Å; H73-R76 WeakPolarHBondContact O-CG 3.26Å; H73-R76 PolarHBondContact O-N 3.06Å; H73-Y79 WeakPolarHBondContact O-CD2 3.41Å
74	S	90.3	Very high	90.5	Very high	20 Å²	20	83.1 Å²	83.1	14%	0.14	43%	0.425	C	S	.	.	H	α-helix	trans	-70.1	-20.8	-173.1	62.9	0	0	0	0	114.9	L70 R76	L70-S74 VanDerWaalsContact O-CB 3.25Å; L70-S74 WeakPolarHBondContact O-CB 3.36Å; L70-S74 PolarHBondContact O-N 3.5Å; L70-S74 PolarHBondContact O-OG 3.4Å; S74-R76 VanDerWaalsContact C-N 3.34Å
75	S	87.6	Confident	90.9	Very high	71 Å²	71	83.6 Å²	83.6	50%	0.497	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-11.5	178	56.8	0	0	0	0	113.8	L71 H73	L71-S75 PolarHBondContact O-OG 3.36Å; H73-S75 VanDerWaalsContact C-N 3.3Å; H73-S75 PolarHBondContact O-N 3.22Å
76	R	90.3	Very high	91.2	Very high	116 Å²	116	86 Å²	86	44%	0.438	43%	0.426	S	S	.	.	S	Bend	trans	-60.5	142.1	177.6	-64.1	179.5	-173.9	-155.1	2.5	110.4	H73 S74 R78 Y79 R80	H73-R76 PolarHBondContact CE1-NH2 3.12Å; H73-R76 PolarHBondContact ND1-NH2 3.13Å; H73-R76 VanDerWaalsContact ND1-NH2 3.1Å; H73-R76 WeakPolarHBondContact O-CB 3.46Å; H73-R76 VanDerWaalsContact O-CG 3.28Å; H73-R76 WeakPolarHBondContact O-CG 3.26Å; H73-R76 PolarHBondContact O-N 3.06Å; S74-R76 VanDerWaalsContact C-N 3.34Å; R76-R78 HydrophobicContact CB-CG 4.35Å; R76-R78 PolarHBondContact O-N 2.91Å; R76-R78 VanDerWaalsContact O-N 3.08Å; R76-Y79 HydrophobicContact CB-CD2 4.29Å; R76-Y79 PolarHBondContact O-N 3.5Å; R76-R80 PolarHBondContact O-N 2.93Å
77	A	91.4	Very high	91.8	Very high	72 Å²	72	89.5 Å²	89.5	60%	0.595	44%	0.436	S	S	*	.	H	α-helix	trans	-50.8	-40.1	-176.1	0	0	0	0	0	113.5	Y79 R80 V81	A77-Y79 PolarHBondContact O-N 3.41Å; A77-Y79 VanDerWaalsContact O-N 3.13Å; A77-R80 PolarHBondContact O-N 2.83Å; A77-V81 WeakPolarHBondContact O-CB 3.48Å; A77-V81 PolarHBondContact O-N 2.87Å
78	R	93.4	Very high	92.1	Very high	148 Å²	148	89.3 Å²	89.3	56%	0.558	43%	0.432	S	S	*	.	H	α-helix	trans	-60.5	-19.9	178.2	73.3	179.9	-173.6	-179.6	3.8	115.2	R76 P82	R76-R78 HydrophobicContact CB-CG 4.35Å; R76-R78 PolarHBondContact O-N 2.91Å; R76-R78 VanDerWaalsContact O-N 3.08Å; R78-P82 WeakPolarHBondContact O-CD 3.47Å; R78-P82 WeakPolarHBondContact O-CG 3.39Å
79	Y	93.2	Very high	92.6	Very high	110 Å²	110	89.2 Å²	89.2	43%	0.431	43%	0.434	S	S	.	.	H	α-helix	trans	-111	-37	176.5	-59.8	-61.4	0	0	0	112	H73 R76 A77 R83	H73-Y79 WeakPolarHBondContact O-CD2 3.41Å; R76-Y79 HydrophobicContact CB-CD2 4.29Å; R76-Y79 PolarHBondContact O-N 3.5Å; A77-Y79 PolarHBondContact O-N 3.41Å; A77-Y79 VanDerWaalsContact O-N 3.13Å; Y79-R83 VanDerWaalsContact O-CB 3.25Å; Y79-R83 WeakPolarHBondContact O-CB 3.36Å; Y79-R83 PolarHBondContact O-N 3.44Å
80	R	92.8	Very high	93.3	Very high	143 Å²	143	93.4 Å²	93.4	54%	0.54	46%	0.459	S	S	.	.	H	α-helix	trans	-65.9	-49.2	179.3	-173.5	178.8	178.9	-176.7	-0.8	112.1	R76 A77 R83 E84	R76-R80 PolarHBondContact O-N 2.93Å; A77-R80 PolarHBondContact O-N 2.83Å; R80-R83 PolarHBondContact O-N 2.9Å; R80-E84 HydrophobicContact CG-CG 4.28Å; R80-E84 WeakPolarHBondContact O-CG 3.41Å; R80-E84 PolarHBondContact O-N 2.82Å
81	V	94.4	Very high	93.7	Very high	88 Å²	88	91.6 Å²	91.6	53%	0.533	45%	0.452	S	S	.	.	H	α-helix	trans	-62.9	-50.3	-176.5	175.6	0	0	0	0	111.5	A77 R83 E84 V85	A77-V81 WeakPolarHBondContact O-CB 3.48Å; A77-V81 PolarHBondContact O-N 2.87Å; V81-R83 VanDerWaalsContact C-N 3.3Å; V81-R83 PolarHBondContact O-N 3.05Å; V81-E84 PolarHBondContact O-N 3.43Å; V81-V85 HydrophobicContact CG1-CG2 4.16Å; V81-V85 WeakPolarHBondContact O-CB 3.41Å; V81-V85 VanDerWaalsContact O-CG2 3.26Å; V81-V85 WeakPolarHBondContact O-CG2 3.48Å; V81-V85 PolarHBondContact O-N 2.8Å
82	P	96.5	Very high	94.1	Very high	62 Å²	62	90.4 Å²	90.4	40%	0.403	45%	0.451	S	S	.	.	H	α-helix	trans	-60.5	-37.7	176.1	-25.6	36.6	0	0	0	113.2	R78 L86	R78-P82 WeakPolarHBondContact O-CD 3.47Å; R78-P82 WeakPolarHBondContact O-CG 3.39Å; P82-L86 VanDerWaalsContact O-CB 3.29Å; P82-L86 WeakPolarHBondContact O-CB 3.49Å; P82-L86 WeakPolarHBondContact O-CG 3.48Å; P82-L86 PolarHBondContact O-N 3.32Å
83	R	96.4	Very high	94.7	Very high	127 Å²	127	90 Å²	90	48%	0.479	45%	0.454	S	S	.	.	H	α-helix	trans	-64.4	-46.9	178.2	-174.9	178.5	65.5	-162.1	-1	112.2	Y79 R80 V81 F87	Y79-R83 VanDerWaalsContact O-CB 3.25Å; Y79-R83 WeakPolarHBondContact O-CB 3.36Å; Y79-R83 PolarHBondContact O-N 3.44Å; R80-R83 PolarHBondContact O-N 2.9Å; V81-R83 VanDerWaalsContact C-N 3.3Å; V81-R83 PolarHBondContact O-N 3.05Å; R83-F87 WeakPolarHBondContact O-CB 3.35Å; R83-F87 PolarHBondContact O-N 3.34Å
84	E	96.6	Very high	95.2	Very high	75 Å²	75	92.4 Å²	92.4	35%	0.35	47%	0.47	S	S	.	.	H	α-helix	trans	-65.8	-43.1	177.1	-66.1	-63.4	157.6	0	0	111.5	R80 V81 F87 W88	R80-E84 HydrophobicContact CG-CG 4.28Å; R80-E84 WeakPolarHBondContact O-CG 3.41Å; R80-E84 PolarHBondContact O-N 2.82Å; V81-E84 PolarHBondContact O-N 3.43Å; E84-F87 PolarHBondContact O-N 3.32Å; E84-W88 PolarHBondContact O-N 3.25Å
85	V	97.4	Very high	95.6	Very high	86 Å²	86	97 Å²	97	52%	0.521	49%	0.493	S	S	.	.	H	α-helix	trans	-60.8	-47.2	176.7	169.6	0	0	0	0	110.6	V81 F87 W88 L89	V81-V85 HydrophobicContact CG1-CG2 4.16Å; V81-V85 WeakPolarHBondContact O-CB 3.41Å; V81-V85 VanDerWaalsContact O-CG2 3.26Å; V81-V85 WeakPolarHBondContact O-CG2 3.48Å; V81-V85 PolarHBondContact O-N 2.8Å; V85-F87 VanDerWaalsContact C-N 3.34Å; V85-F87 PolarHBondContact O-N 3.37Å; V85-W88 PolarHBondContact O-N 3.35Å; V85-L89 WeakPolarHBondContact O-CB 3.29Å; V85-L89 PolarHBondContact O-N 2.87Å
86	L	97.5	Very high	96.1	Very high	107 Å²	107	96.1 Å²	96.1	56%	0.56	49%	0.49	S	S	*	.	H	α-helix	trans	-62.1	-41.7	177.4	-74.4	170.3	0	0	0	111.7	P82 L89 V90	P82-L86 VanDerWaalsContact O-CB 3.29Å; P82-L86 WeakPolarHBondContact O-CB 3.49Å; P82-L86 WeakPolarHBondContact O-CG 3.48Å; P82-L86 PolarHBondContact O-N 3.32Å; L86-L89 PolarHBondContact O-N 3.22Å; L86-V90 WeakPolarHBondContact O-CB 3.48Å; L86-V90 VanDerWaalsContact O-CG2 3.24Å; L86-V90 WeakPolarHBondContact O-CG2 3.44Å; L86-V90 PolarHBondContact O-N 3.43Å
87	F	97.6	Very high	96.4	Very high	117 Å²	117	96.2 Å²	96.2	51%	0.513	50%	0.498	S	S	.	.	H	α-helix	trans	-59.2	-53	176.6	174.9	-97.5	0	0	0	111.7	R83 E84 V85 L89 V90 V91	R83-F87 WeakPolarHBondContact O-CB 3.35Å; R83-F87 PolarHBondContact O-N 3.34Å; E84-F87 PolarHBondContact O-N 3.32Å; V85-F87 VanDerWaalsContact C-N 3.34Å; V85-F87 PolarHBondContact O-N 3.37Å; F87-L89 PolarHBondContact O-N 3.32Å; F87-V90 PolarHBondContact O-N 3.43Å; F87-V91 HydrophobicContact CE1-CG2 4.13Å; F87-V91 HydrophobicContact CZ-CG2 4.11Å; F87-V91 WeakPolarHBondContact O-CG2 3.47Å; F87-V91 PolarHBondContact O-N 3.41Å
88	W	97.7	Very high	96.7	Very high	147 Å²	147	96.4 Å²	96.4	56%	0.557	49%	0.492	S	S	*	.	H	α-helix	trans	-69.3	-33.4	-179.9	-72.7	111.3	0	0	0	112.8	E84 V85 V90 V91 C92	E84-W88 PolarHBondContact O-N 3.25Å; V85-W88 PolarHBondContact O-N 3.35Å; W88-V90 VanDerWaalsContact C-N 3.33Å; W88-V91 HydrophobicContact CE3-CB 4.28Å; W88-V91 HydrophobicContact CE3-CG1 4.33Å; W88-V91 HydrophobicContact CE3-CG2 4.49Å; W88-V91 HydrophobicContact CZ3-CG1 4.37Å; W88-V91 PolarHBondContact O-N 3.33Å; W88-C92 WeakPolarHBondContact O-CB 3.35Å; W88-C92 PolarHBondContact O-N 3.29Å; W88-C92 PolarHBondContact O-SG 3.33Å
89	L	97.9	Very high	96.9	Very high	99 Å²	99	91.8 Å²	91.8	52%	0.518	49%	0.486	S	S	.	.	H	α-helix	trans	-60	-46	172	-171	85.8	0	0	0	110.3	V85 L86 F87 V91 C92 C93	V85-L89 WeakPolarHBondContact O-CB 3.29Å; V85-L89 PolarHBondContact O-N 2.87Å; L86-L89 PolarHBondContact O-N 3.22Å; F87-L89 PolarHBondContact O-N 3.32Å; L89-V91 PolarHBondContact O-N 3.33Å; L89-C92 PolarHBondContact O-N 2.85Å; L89-C93 VanDerWaalsContact O-CB 3.27Å; L89-C93 WeakPolarHBondContact O-CB 3.32Å; L89-C93 PolarHBondContact O-N 3.48Å; L89-C93 PolarHBondContact O-SG 3.44Å
90	V	98.1	Very high	97	Very high	88 Å²	88	90.4 Å²	90.4	53%	0.533	49%	0.488	S	S	.	.	H	α-helix	trans	-59.8	-47.9	176.2	169.3	0	0	0	0	110.6	L86 F87 W88 C92 C93 T94	L86-V90 WeakPolarHBondContact O-CB 3.48Å; L86-V90 VanDerWaalsContact O-CG2 3.24Å; L86-V90 WeakPolarHBondContact O-CG2 3.44Å; L86-V90 PolarHBondContact O-N 3.43Å; F87-V90 PolarHBondContact O-N 3.43Å; W88-V90 VanDerWaalsContact C-N 3.33Å; V90-C92 PolarHBondContact O-N 3.46Å; V90-C93 PolarHBondContact O-N 3.45Å; V90-T94 PolarHBondContact O-N 2.96Å; V90-T94 PolarHBondContact O-OG1 3.03Å
91	V	97.7	Very high	97.2	Very high	46 Å²	46	87.3 Å²	87.3	28%	0.279	49%	0.485	S	S	.	.	H	α-helix	trans	-58.2	-48.8	177.2	173.9	0	0	0	0	111.5	F87 W88 L89 T94 L95	F87-V91 HydrophobicContact CE1-CG2 4.13Å; F87-V91 HydrophobicContact CZ-CG2 4.11Å; F87-V91 WeakPolarHBondContact O-CG2 3.47Å; F87-V91 PolarHBondContact O-N 3.41Å; W88-V91 HydrophobicContact CE3-CB 4.28Å; W88-V91 HydrophobicContact CE3-CG1 4.33Å; W88-V91 HydrophobicContact CE3-CG2 4.49Å; W88-V91 HydrophobicContact CZ3-CG1 4.37Å; W88-V91 PolarHBondContact O-N 3.33Å; L89-V91 PolarHBondContact O-N 3.33Å; V91-T94 PolarHBondContact O-N 3.36Å; V91-L95 HydrophobicContact CG1-CD1 4.36Å; V91-L95 WeakPolarHBondContact O-CG 3.35Å; V91-L95 PolarHBondContact O-N 3.21Å
92	C	97.8	Very high	97.4	Very high	78 Å²	78	88.1 Å²	88.1	53%	0.527	49%	0.486	S	S	.	.	H	α-helix	trans	-63	-42.5	178.2	-72	0	0	0	0	112.2	W88 L89 V90 L95 A96	W88-C92 WeakPolarHBondContact O-CB 3.35Å; W88-C92 PolarHBondContact O-N 3.29Å; W88-C92 PolarHBondContact O-SG 3.33Å; L89-C92 PolarHBondContact O-N 2.85Å; V90-C92 PolarHBondContact O-N 3.46Å; C92-L95 PolarHBondContact O-N 3.36Å; C92-A96 WeakPolarHBondContact O-CB 3.25Å; C92-A96 PolarHBondContact O-N 3.47Å
93	C	97.9	Very high	97.3	Very high	65 Å²	65	88.7 Å²	88.7	44%	0.439	49%	0.488	S	S	.	.	H	α-helix	trans	-62.9	-41.3	175.9	-75	0	0	0	0	111.5	L89 V90 A96 L97	L89-C93 VanDerWaalsContact O-CB 3.27Å; L89-C93 WeakPolarHBondContact O-CB 3.32Å; L89-C93 PolarHBondContact O-N 3.48Å; L89-C93 PolarHBondContact O-SG 3.44Å; V90-C93 PolarHBondContact O-N 3.45Å; C93-A96 PolarHBondContact O-N 3.29Å; C93-L97 WeakPolarHBondContact O-CB 3.42Å; C93-L97 VanDerWaalsContact O-CG 3.3Å; C93-L97 WeakPolarHBondContact O-CG 3.25Å; C93-L97 PolarHBondContact O-N 2.8Å
94	T	97.8	Very high	97.2	Very high	76 Å²	76	85.9 Å²	85.9	47%	0.466	48%	0.482	S	S	.	.	H	α-helix	trans	-61.3	-46.9	175.2	-59.3	0	0	0	0	111.2	V90 V91 A96 L97 V98	V90-T94 PolarHBondContact O-N 2.96Å; V90-T94 PolarHBondContact O-OG1 3.03Å; V91-T94 PolarHBondContact O-N 3.36Å; T94-A96 VanDerWaalsContact C-N 3.34Å; T94-A96 PolarHBondContact O-N 2.97Å; T94-L97 PolarHBondContact O-N 3.24Å; T94-V98 WeakPolarHBondContact O-CG2 3.48Å; T94-V98 PolarHBondContact O-N 2.88Å
95	L	97.8	Very high	97.1	Very high	116 Å²	116	88.2 Å²	88.2	61%	0.607	50%	0.495	S	S	*	.	H	α-helix	trans	-62.5	-40.9	176.9	-68.8	175.4	0	0	0	112.1	V91 C92 V98 A99	V91-L95 HydrophobicContact CG1-CD1 4.36Å; V91-L95 WeakPolarHBondContact O-CG 3.35Å; V91-L95 PolarHBondContact O-N 3.21Å; C92-L95 PolarHBondContact O-N 3.36Å; L95-V98 PolarHBondContact O-N 3.46Å; L95-A99 WeakPolarHBondContact O-CB 3.44Å; L95-A99 PolarHBondContact O-N 3.34Å
96	A	97.6	Very high	97	Very high	53 Å²	53	87 Å²	87	44%	0.438	50%	0.495	S	S	.	.	H	α-helix	trans	-62.2	-43.5	175.6	0	0	0	0	0	111.8	C92 C93 T94 A99 V100	C92-A96 WeakPolarHBondContact O-CB 3.25Å; C92-A96 PolarHBondContact O-N 3.47Å; C93-A96 PolarHBondContact O-N 3.29Å; T94-A96 VanDerWaalsContact C-N 3.34Å; T94-A96 PolarHBondContact O-N 2.97Å; A96-A99 PolarHBondContact O-N 2.88Å; A96-V100 WeakPolarHBondContact O-CB 3.13Å; A96-V100 VanDerWaalsContact O-CG2 3.26Å; A96-V100 WeakPolarHBondContact O-CG2 3.19Å; A96-V100 PolarHBondContact O-N 3.24Å
97	L	97.6	Very high	96.9	Very high	117 Å²	117	85.8 Å²	85.8	61%	0.613	49%	0.488	S	S	*	.	H	α-helix	trans	-63.8	-40.7	176.7	-73	171.9	0	0	0	112.3	C93 T94 V100 T101	C93-L97 WeakPolarHBondContact O-CB 3.42Å; C93-L97 VanDerWaalsContact O-CG 3.3Å; C93-L97 WeakPolarHBondContact O-CG 3.25Å; C93-L97 PolarHBondContact O-N 2.8Å; T94-L97 PolarHBondContact O-N 3.24Å; L97-V100 PolarHBondContact O-N 2.8Å; L97-T101 WeakPolarHBondContact O-CB 3.44Å; L97-T101 PolarHBondContact O-N 3.36Å; L97-T101 PolarHBondContact O-OG1 2.92Å
98	V	97.8	Very high	96.8	Very high	77 Å²	77	82.3 Å²	82.3	47%	0.467	48%	0.478	S	S	.	.	H	α-helix	trans	-62.7	-46.4	174.4	172.1	0	0	0	0	110.5	T94 L95 V100 T101 I102	T94-V98 WeakPolarHBondContact O-CG2 3.48Å; T94-V98 PolarHBondContact O-N 2.88Å; L95-V98 PolarHBondContact O-N 3.46Å; V98-V100 PolarHBondContact O-N 3.29Å; V98-T101 PolarHBondContact O-N 2.71Å; V98-I102 HydrophobicContact CG1-CD1 3.79Å; V98-I102 HydrophobicContact CG1-CG1 4.47Å; V98-I102 WeakPolarHBondContact O-CG1 3.27Å; V98-I102 PolarHBondContact O-N 3.18Å
99	A	97.3	Very high	96.6	Very high	51 Å²	51	76.2 Å²	76.2	42%	0.421	46%	0.458	S	S	.	.	H	α-helix	trans	-61.7	-43.5	178.2	0	0	0	0	0	112.3	L95 A96 I102 T103	L95-A99 WeakPolarHBondContact O-CB 3.44Å; L95-A99 PolarHBondContact O-N 3.34Å; A96-A99 PolarHBondContact O-N 2.88Å; A99-I102 PolarHBondContact O-N 3.28Å; A99-T103 WeakPolarHBondContact O-CB 3.24Å; A99-T103 PolarHBondContact O-N 2.73Å; A99-T103 PolarHBondContact O-OG1 3.4Å
100	V	95.8	Very high	96.3	Very high	81 Å²	81	75.5 Å²	75.5	49%	0.491	46%	0.459	S	S	.	.	H	α-helix	trans	-61.4	-44.2	174.9	169	0	0	0	0	110.8	A96 L97 V98 T103 I104	A96-V100 WeakPolarHBondContact O-CB 3.13Å; A96-V100 VanDerWaalsContact O-CG2 3.26Å; A96-V100 WeakPolarHBondContact O-CG2 3.19Å; A96-V100 PolarHBondContact O-N 3.24Å; L97-V100 PolarHBondContact O-N 2.8Å; V98-V100 PolarHBondContact O-N 3.29Å; V100-T103 WeakPolarHBondContact O-CB 3.36Å; V100-T103 PolarHBondContact O-N 3.48Å; V100-I104 HydrophobicContact CG1-CD1 3.85Å; V100-I104 HydrophobicContact CG1-CG1 4.44Å; V100-I104 WeakPolarHBondContact O-CG1 3.31Å; V100-I104 PolarHBondContact O-N 2.96Å
101	T	96.6	Very high	95.8	Very high	78 Å²	78	76.8 Å²	76.8	48%	0.479	47%	0.471	S	S	.	.	H	α-helix	trans	-61.5	-48.1	179	-57.3	0	0	0	0	111.3	L97 V98 T103 I104 I105	L97-T101 WeakPolarHBondContact O-CB 3.44Å; L97-T101 PolarHBondContact O-N 3.36Å; L97-T101 PolarHBondContact O-OG1 2.92Å; V98-T101 PolarHBondContact O-N 2.71Å; T101-T103 VanDerWaalsContact C-N 3.28Å; T101-T103 PolarHBondContact O-N 3.25Å; T101-I104 PolarHBondContact O-N 2.03Å; T101-I105 HydrophobicContact CG2-CD1 3.95Å; T101-I105 WeakPolarHBondContact O-CG1 3.29Å; T101-I105 PolarHBondContact O-N 3.18Å
102	I	97.1	Very high	95.6	Very high	105 Å²	105	75.7 Å²	75.7	54%	0.538	46%	0.463	S	S	.	.	H	α-helix	trans	-59.9	-42.1	176.1	-67.3	167.7	0	0	0	110.5	V98 A99 I105 A106	V98-I102 HydrophobicContact CG1-CD1 3.79Å; V98-I102 HydrophobicContact CG1-CG1 4.47Å; V98-I102 WeakPolarHBondContact O-CG1 3.27Å; V98-I102 PolarHBondContact O-N 3.18Å; A99-I102 PolarHBondContact O-N 3.28Å; I102-I105 PolarHBondContact O-N 3Å; I102-A106 VanDerWaalsContact O-CB 3.28Å; I102-A106 WeakPolarHBondContact O-CB 3.48Å; I102-A106 PolarHBondContact O-N 3.27Å
103	T	95.3	Very high	95.5	Very high	73 Å²	73	76.4 Å²	76.4	45%	0.448	46%	0.455	S	S	.	.	H	α-helix	trans	-63	-46.5	179.6	-57.4	0	0	0	0	111.5	A99 V100 T101 I105 A106 L107	A99-T103 WeakPolarHBondContact O-CB 3.24Å; A99-T103 PolarHBondContact O-N 2.73Å; A99-T103 PolarHBondContact O-OG1 3.4Å; V100-T103 WeakPolarHBondContact O-CB 3.36Å; V100-T103 PolarHBondContact O-N 3.48Å; T101-T103 VanDerWaalsContact C-N 3.28Å; T101-T103 PolarHBondContact O-N 3.25Å; T103-I105 PolarHBondContact O-N 3.11Å; T103-A106 PolarHBondContact O-N 2.92Å; T103-L107 HydrophobicContact CG2-CD1 3.65Å; T103-L107 HydrophobicContact CG2-CG 4.26Å; T103-L107 VanDerWaalsContact O-CB 3.31Å; T103-L107 WeakPolarHBondContact O-CB 3.08Å; T103-L107 VanDerWaalsContact O-CG 3.31Å; T103-L107 WeakPolarHBondContact O-CG 3.3Å; T103-L107 PolarHBondContact O-N 3.46Å
104	I	94.9	Very high	95.4	Very high	69 Å²	69	75.2 Å²	75.2	35%	0.354	44%	0.441	S	S	.	.	H	α-helix	trans	-60.6	-46.3	177.2	-68.5	168.8	0	0	0	110.3	V100 T101 S108	V100-I104 HydrophobicContact CG1-CD1 3.85Å; V100-I104 HydrophobicContact CG1-CG1 4.44Å; V100-I104 WeakPolarHBondContact O-CG1 3.31Å; V100-I104 PolarHBondContact O-N 2.96Å; T101-I104 PolarHBondContact O-N 2.03Å; I104-S108 WeakPolarHBondContact O-CB 3.26Å; I104-S108 PolarHBondContact O-N 2.83Å; I104-S108 PolarHBondContact O-OG 2.59Å
105	I	94.9	Very high	95.3	Very high	123 Å²	123	72 Å²	72	63%	0.631	42%	0.42	S	S	*	.	H	α-helix	trans	-62.8	-46.6	179.8	-67.1	168.5	0	0	0	111	T101 I102 T103 L107 S108	T101-I105 HydrophobicContact CG2-CD1 3.95Å; T101-I105 WeakPolarHBondContact O-CG1 3.29Å; T101-I105 PolarHBondContact O-N 3.18Å; I102-I105 PolarHBondContact O-N 3Å; T103-I105 PolarHBondContact O-N 3.11Å; I105-L107 PolarHBondContact O-N 3.13Å; I105-S108 PolarHBondContact O-N 3.48Å
106	A	94.9	Very high	95.2	Very high	62 Å²	62	67.1 Å²	67.1	51%	0.512	39%	0.394	S	S	.	.	H	α-helix	trans	-68.5	-34.4	-177.1	0	0	0	0	0	113.2	I102 T103	I102-A106 VanDerWaalsContact O-CB 3.28Å; I102-A106 WeakPolarHBondContact O-CB 3.48Å; I102-A106 PolarHBondContact O-N 3.27Å; T103-A106 PolarHBondContact O-N 2.92Å
107	L	95.3	Very high	94.9	Very high	80 Å²	80	67.2 Å²	67.2	42%	0.419	39%	0.387	S	S	.	.	H	α-helix	trans	-89.2	-14	-179.5	-64	-178.2	0	0	0	113.5	T103 I105 Y685 K686	T103-L107 HydrophobicContact CG2-CD1 3.65Å; T103-L107 HydrophobicContact CG2-CG 4.26Å; T103-L107 VanDerWaalsContact O-CB 3.31Å; T103-L107 WeakPolarHBondContact O-CB 3.08Å; T103-L107 VanDerWaalsContact O-CG 3.31Å; T103-L107 WeakPolarHBondContact O-CG 3.3Å; T103-L107 PolarHBondContact O-N 3.46Å; I105-L107 PolarHBondContact O-N 3.13Å; L107-Y685 CarbonylContact O-C 3.44Å; L107-Y685 VanDerWaalsContact O-CA 3.31Å; L107-Y685 WeakPolarHBondContact O-CA 3.07Å; L107-K686 WeakPolarHBondContact O-CG 2.77Å; L107-K686 PolarHBondContact O-N 3.23Å
108	S	95.3	Very high	94.7	Very high	44 Å²	44	61.8 Å²	61.8	31%	0.308	36%	0.359	S	S	.	.	S	Bend	trans	-62.9	133.3	176.2	-68.6	0	0	0	0	110.5	I104 I105	I104-S108 WeakPolarHBondContact O-CB 3.26Å; I104-S108 PolarHBondContact O-N 2.83Å; I104-S108 PolarHBondContact O-OG 2.59Å; I105-S108 PolarHBondContact O-N 3.48Å
109	P	94.1	Very high	94.7	Very high	20 Å²	20	58.1 Å²	58.1	13%	0.13	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-69.4	154.4	171.5	31.9	-35.4	0	0	0	109.8	C111 A675 L684 K686	P109-C111 PolarHBondContact O-N 2.65Å; P109-A675 HydrophobicContact CB-CB 4.23Å; P109-A675 HydrophobicContact CG-CB 3.87Å; P109-L684 VanDerWaalsContact CD-O 3.29Å; P109-L684 WeakPolarHBondContact CD-O 3.32Å; P109-L684 HydrophobicContact CG-CB 3.83Å; P109-K686 HydrophobicContact CB-CG 4.43Å
110	P	90.9	Very high	94.8	Very high	83 Å²	83	55.8 Å²	55.8	54%	0.539	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-53.7	138.6	168.5	-21	32.2	0	0	0	109.8	R572	P110-R572 PolarHBondContact O-NH2 3.04Å
111	C	87.9	Confident	94.9	Very high	115 Å²	115	51.9 Å²	51.9	78%	0.777	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-64.6	156	175.4	61.9	0	0	0	0	111	P109 R113 R572	P109-C111 PolarHBondContact O-N 2.65Å; C111-R113 PolarHBondContact O-N 2.96Å; C111-R572 VanDerWaalsContact C-NH2 3.33Å
112	L	93.6	Very high	95	Very high	23 Å²	23	48.2 Å²	48.2	12%	0.12	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-70.3	136.2	175.6	-71.4	-177.1	0	0	0	109	H116 I117 W437 L571 R572 E673	L112-H116 HydrophobicContact CB-CB 4.03Å; L112-H116 HydrophobicContact CD1-CB 4.17Å; L112-H116 HydrophobicContact CD2-CB 4.08Å; L112-H116 HydrophobicContact CG-CB 4.29Å; L112-I117 HydrophobicContact CB-CD1 3.96Å; L112-I117 HydrophobicContact CB-CG1 3.76Å; L112-I117 HydrophobicContact CD1-CG1 4.08Å; L112-W437 HydrophobicContact CD1-CH2 4.15Å; L112-W437 HydrophobicContact CD2-CH2 4.01Å; L112-W437 HydrophobicContact CD2-CZ3 3.96Å; L112-L571 HydrophobicContact CD1-CB 4.29Å; L112-R572 HydrophobicContact CD1-CG 3.89Å; L112-R572 HydrophobicContact CD2-CG 4.31Å; L112-R572 HydrophobicContact CG-CG 4.23Å; L112-R572 VanDerWaalsContact CG-NH2 3.33Å; L112-E673 HydrophobicContact CD2-CB 4.44Å; L112-E673 HydrophobicContact CD2-CG 4.47Å
113	R	95	Very high	95.1	Very high	93 Å²	93	43.2 Å²	43.2	35%	0.351	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-64.2	160.3	165.7	-59.6	178	178.6	174.4	-6.2	111.8	C111 W115 H116 Y373 D402	C111-R113 PolarHBondContact O-N 2.96Å; R113-W115 VanDerWaalsContact C-N 3.27Å; R113-W115 HydrophobicContact CB-CG 4.46Å; R113-W115 PolarHBondContact O-N 3.08Å; R113-H116 PolarHBondContact N-ND1 2.87Å; R113-H116 VanDerWaalsContact N-ND1 3.11Å; R113-H116 WeakPolarHBondContact O-CB 3.39Å; R113-H116 PolarHBondContact O-N 2.92Å; R113-H116 VanDerWaalsContact O-N 3.13Å; R113-Y373 VanDerWaalsContact CZ-CE2 3.46Å; R113-Y373 VanDerWaalsContact NH1-CE1 3.34Å; R113-Y373 PolarHBondContact NH1-OH 2.04Å; R113-D402 IonicContact NH1-OD1 2.83Å
114	W	95.3	Very high	95.2	Very high	40 Å²	40	39.9 Å²	39.9	15%	0.152	22%	0.224	C	C	.	.	H	α-helix	trans	-55.3	-40.9	-177.3	62.4	-98.6	0	0	0	112.9	H116 I117 T118 A156 K204 I206 D304 Y373 F375	W114-H116 VanDerWaalsContact C-N 3.28Å; W114-H116 PolarHBondContact O-N 2.7Å; W114-I117 PolarHBondContact O-N 2.64Å; W114-T118 PolarHBondContact O-N 2.82Å; W114-A156 HydrophobicContact CE3-CB 4.22Å; W114-A156 HydrophobicContact CZ3-CB 3.66Å; W114-K204 HydrophobicContact CD2-CB 4.24Å; W114-K204 HydrophobicContact CD2-CD 4.28Å; W114-K204 HydrophobicContact CD2-CG 3.75Å; W114-K204 HydrophobicContact CE3-CB 3.8Å; W114-K204 HydrophobicContact CE3-CG 3.69Å; W114-K204 HydrophobicContact CG-CG 4.2Å; W114-K204 HydrophobicContact CH2-CB 3.97Å; W114-K204 HydrophobicContact CZ2-CB 4.37Å; W114-K204 HydrophobicContact CZ3-CB 3.68Å; W114-K204 HydrophobicContact CZ3-CG 4.11Å; W114-I206 HydrophobicContact CH2-CD1 4.07Å; W114-I206 HydrophobicContact CH2-CG1 4Å; W114-I206 HydrophobicContact CZ3-CD1 4.32Å; W114-D304 HydrophobicContact CH2-CB 4.45Å; W114-D304 HydrophobicContact CZ2-CB 4.04Å; W114-Y373 PolarHBondContact NE1-O 3.46Å; W114-F375 HydrophobicContact CH2-CB 3.69Å; W114-F375 HydrophobicContact CH2-CD1 4.46Å; W114-F375 HydrophobicContact CH2-CG 4.19Å; W114-F375 HydrophobicContact CZ2-CB 3.48Å; W114-F375 VanDerWaalsContact CZ2-CB 3.48Å; W114-F375 HydrophobicContact CZ2-CG 4.38Å
115	W	95.6	Very high	95.4	Very high	9 Å²	9	36.7 Å²	36.7	3%	0.034	21%	0.208	C	C	.	.	H	α-helix	trans	-72.8	-14.6	-177.2	62.1	-103.7	0	0	0	114.3	R113 Y373 F375 D402 F403 W437 T472	R113-W115 VanDerWaalsContact C-N 3.27Å; R113-W115 HydrophobicContact CB-CG 4.46Å; R113-W115 PolarHBondContact O-N 3.08Å; W115-Y373 AromaticContact CD1-CD1 3.81Å; W115-Y373 AromaticContact NE1-CD1 3.47Å; W115-Y373 AromaticContact NE1-CE1 3.38Å; W115-F375 HydrophobicContact CB-CD2 3.84Å; W115-F375 HydrophobicContact CB-CE2 4.17Å; W115-F375 HydrophobicContact CB-CG 4.31Å; W115-F375 AromaticContact CD1-CD2 3.69Å; W115-F375 AromaticContact CD2-CD2 3.71Å; W115-F375 HydrophobicContact CD2-CD2 3.71Å; W115-F375 AromaticContact CD2-CE2 3.77Å; W115-F375 HydrophobicContact CD2-CE2 3.77Å; W115-F375 HydrophobicContact CE3-CD2 4.25Å; W115-F375 AromaticContact CE3-CE2 3.82Å; W115-F375 HydrophobicContact CE3-CE2 3.82Å; W115-F375 AromaticContact CG-CD2 3.52Å; W115-F375 HydrophobicContact CG-CD2 3.52Å; W115-F375 AromaticContact CG-CE2 3.96Å; W115-F375 HydrophobicContact CG-CE2 3.96Å; W115-F375 HydrophobicContact CG-CG 4.32Å; W115-F375 HydrophobicContact CZ3-CE2 4.35Å; W115-F375 AromaticContact NE1-CD2 3.95Å; W115-D402 HydrophobicContact CH2-CB 3.84Å; W115-D402 HydrophobicContact CZ2-CB 3.73Å; W115-D402 VanDerWaalsContact CZ2-OD1 3.28Å; W115-D402 WeakPolarHBondContact CZ2-OD1 3.04Å; W115-D402 HydrophobicContact CZ3-CB 4.41Å; W115-F403 HydrophobicContact CE3-CD1 4.13Å; W115-F403 AromaticContact CE3-CE1 3.71Å; W115-F403 HydrophobicContact CE3-CE1 3.71Å; W115-F403 HydrophobicContact CH2-CD1 4.35Å; W115-F403 AromaticContact CZ3-CD1 3.58Å; W115-F403 HydrophobicContact CZ3-CD1 3.58Å; W115-F403 AromaticContact CZ3-CE1 3.64Å; W115-F403 HydrophobicContact CZ3-CE1 3.64Å; W115-W437 HydrophobicContact CH2-CB 4.14Å; W115-W437 HydrophobicContact CH2-CG 4.34Å; W115-W437 HydrophobicContact CZ3-CB 4.02Å; W115-W437 AromaticContact CZ3-CD1 3.54Å; W115-W437 AromaticContact CZ3-CG 3.83Å; W115-W437 HydrophobicContact CZ3-CG 3.83Å; W115-T472 WeakPolarHBondContact O-CG2 3.49Å; W115-T472 PolarHBondContact O-OG1 3.13Å
116	H	95.6	Very high	95.5	Very high	13 Å²	13	32.5 Å²	32.5	6%	0.06	18%	0.184	C	C	.	.	H	α-helix	trans	-79.2	-30.7	171.6	-61.3	134.3	0	0	0	112.4	L112 R113 W114 W437	L112-H116 HydrophobicContact CB-CB 4.03Å; L112-H116 HydrophobicContact CD1-CB 4.17Å; L112-H116 HydrophobicContact CD2-CB 4.08Å; L112-H116 HydrophobicContact CG-CB 4.29Å; R113-H116 PolarHBondContact N-ND1 2.87Å; R113-H116 VanDerWaalsContact N-ND1 3.11Å; R113-H116 WeakPolarHBondContact O-CB 3.39Å; R113-H116 PolarHBondContact O-N 2.92Å; R113-H116 VanDerWaalsContact O-N 3.13Å; W114-H116 VanDerWaalsContact C-N 3.28Å; W114-H116 PolarHBondContact O-N 2.7Å; H116-W437 HydrophobicContact CB-CD2 4.47Å; H116-W437 HydrophobicContact CB-CH2 3.94Å; H116-W437 HydrophobicContact CB-CZ2 3.55Å; H116-W437 AromaticContact CD2-CD1 3.8Å; H116-W437 AromaticContact CD2-CD2 3.3Å; H116-W437 AromaticContact CD2-CE2 3.45Å; H116-W437 VanDerWaalsContact CD2-CE2 3.45Å; H116-W437 AromaticContact CD2-CE3 3.74Å; H116-W437 AromaticContact CD2-CG 3.54Å; H116-W437 AromaticContact CD2-NE1 3.68Å; H116-W437 AromaticContact CG-CE2 3.96Å; H116-W437 AromaticContact NE2-CD2 4Å; H116-W437 WeakPolarHBondContact O-CZ2 3.44Å
117	I	92.2	Very high	95.7	Very high	56 Å²	56	29.5 Å²	29.5	29%	0.287	16%	0.16	S	C	.	.	H	α-helix	trans	-88.7	-45	-165.2	-61.4	169.9	0	0	0	110.7	L112 W114 Q565 L571	L112-I117 HydrophobicContact CB-CD1 3.96Å; L112-I117 HydrophobicContact CB-CG1 3.76Å; L112-I117 HydrophobicContact CD1-CG1 4.08Å; W114-I117 PolarHBondContact O-N 2.64Å; I117-Q565 HydrophobicContact CG2-CG 4.42Å; I117-L571 HydrophobicContact CG2-CD2 4.06Å
118	T	93.9	Very high	95.9	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.018	14%	0.14	C	C	.	.	S	Bend	trans	-100.1	145.5	-171.8	-163.5	0	0	0	0	111.3	W114 K155 A156	W114-T118 PolarHBondContact O-N 2.82Å; T118-K155 HydrophobicContact CG2-CB 3.85Å; T118-K155 PolarHBondContact OG1-N 2.87Å; T118-A156 HydrophobicContact CG2-CB 3.6Å
119	P	97.2	Very high	96	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-59.1	149.1	165.6	-21.9	33	0	0	0	112.1	L467 P473 N561	P119-L467 HydrophobicContact CG-CD2 4.2Å; P119-P473 CarbonylContact C-O 3.53Å; P119-P473 VanDerWaalsContact CA-O 3.26Å; P119-P473 WeakPolarHBondContact CA-O 3.31Å; P119-P473 HydrophobicContact CB-CG 3.81Å; P119-P473 HydrophobicContact CG-CG 3.82Å; P119-N561 VanDerWaalsContact CD-OD1 3.27Å; P119-N561 WeakPolarHBondContact CD-OD1 3.28Å; P119-N561 WeakPolarHBondContact CG-OD1 3.06Å
120	V	98.6	Very high	96.3	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	129.7	165.1	178.3	0	0	0	0	108.4	A156 W158 I206 T472 P473 T474 T475	V120-A156 WeakPolarHBondContact CA-O 3.2Å; V120-A156 HydrophobicContact CG2-CB 4.08Å; V120-W158 HydrophobicContact CG1-CB 3.8Å; V120-I206 HydrophobicContact CG1-CD1 4.21Å; V120-I206 HydrophobicContact CG2-CD1 4.17Å; V120-T472 HydrophobicContact CG2-CG2 3.99Å; V120-P473 PolarHBondContact N-O 3.06Å; V120-T474 HydrophobicContact CB-CG2 4.23Å; V120-T474 HydrophobicContact CG1-CG2 4.23Å; V120-T474 CarbonylContact O-C 3.54Å; V120-T474 VanDerWaalsContact O-CA 3.31Å; V120-T474 WeakPolarHBondContact O-CA 3.25Å; V120-T475 PolarHBondContact O-N 3.27Å
121	Y	98.8	Very high	96.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	114.1	174.2	-166.9	-84.5	0	0	0	110.2	V123 F128 F149 L152 I154 A156 V157 W158 T475 Y477 E480	Y121-V123 HydrophobicContact CD1-CG2 3.81Å; Y121-V123 HydrophobicContact CE1-CG2 4.06Å; Y121-F128 AromaticContact CE1-CE2 3.94Å; Y121-F128 HydrophobicContact CE1-CE2 3.94Å; Y121-F128 HydrophobicContact CE1-CZ 4.46Å; Y121-F149 HydrophobicContact CD1-CD1 4.11Å; Y121-F149 AromaticContact CD1-CE1 3.51Å; Y121-F149 HydrophobicContact CD1-CE1 3.51Å; Y121-F149 HydrophobicContact CE1-CD1 4.46Å; Y121-F149 AromaticContact CE1-CE1 3.72Å; Y121-F149 HydrophobicContact CE1-CE1 3.72Å; Y121-F149 HydrophobicContact CG-CD1 4.33Å; Y121-F149 HydrophobicContact CG-CE1 4.17Å; Y121-L152 HydrophobicContact CD2-CD1 4.45Å; Y121-L152 HydrophobicContact CE2-CD1 3.98Å; Y121-I154 HydrophobicContact CD2-CD1 3.36Å; Y121-I154 HydrophobicContact CE2-CD1 4.2Å; Y121-I154 HydrophobicContact CG-CD1 3.94Å; Y121-A156 PolarHBondContact N-O 3.47Å; Y121-V157 WeakPolarHBondContact O-CA 3.28Å; Y121-W158 PolarHBondContact O-N 2.75Å; Y121-T475 CarbonylContact C-O 3.27Å; Y121-T475 WeakPolarHBondContact CA-O 3.47Å; Y121-T475 HydrophobicContact CD2-CG2 4.08Å; Y121-T475 HydrophobicContact CE2-CG2 4.18Å; Y121-Y477 WeakPolarHBondContact OH-CA 3.31Å; Y121-Y477 WeakPolarHBondContact OH-CB 3.27Å; Y121-E480 VanDerWaalsContact OH-CD 3.29Å; Y121-E480 PolarHBondContact OH-OE1 3.39Å; Y121-E480 PolarHBondContact OH-OE2 3.5Å
122	Q	98.8	Very high	97	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	119.6	177.9	-176.3	-173.1	11.9	0	0	110.3	W158 H445 T475 Y476 Y477	Q122-W158 CarbonylContact C-O 3.53Å; Q122-W158 WeakPolarHBondContact CA-O 3.32Å; Q122-W158 HydrophobicContact CB-CD2 4.11Å; Q122-W158 HydrophobicContact CB-CE3 3.55Å; Q122-W158 HydrophobicContact CB-CZ3 3.87Å; Q122-W158 HydrophobicContact CG-CD2 3.76Å; Q122-W158 HydrophobicContact CG-CE3 3.53Å; Q122-W158 HydrophobicContact CG-CG 4.46Å; Q122-W158 HydrophobicContact CG-CH2 3.91Å; Q122-W158 HydrophobicContact CG-CZ2 4.08Å; Q122-W158 HydrophobicContact CG-CZ3 3.63Å; Q122-W158 VanDerWaalsContact NE2-CZ2 3.31Å; Q122-H445 PolarHBondContact NE2-ND1 3.4Å; Q122-T475 PolarHBondContact N-O 2.79Å; Q122-Y476 HydrophobicContact CB-CD2 4.15Å; Q122-Y476 HydrophobicContact CG-CD2 4.03Å; Q122-Y477 PolarHBondContact O-N 3.43Å
123	V	98.8	Very high	97.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	128.2	173.4	177.9	0	0	0	0	109	Y121 F128 I142 F149 V157 W158 I159 S160	Y121-V123 HydrophobicContact CD1-CG2 3.81Å; Y121-V123 HydrophobicContact CE1-CG2 4.06Å; V123-F128 HydrophobicContact CG1-CB 3.65Å; V123-F128 HydrophobicContact CG1-CD1 4.09Å; V123-F128 HydrophobicContact CG1-CD2 3.92Å; V123-F128 HydrophobicContact CG1-CG 3.62Å; V123-F128 HydrophobicContact CG2-CD2 4.4Å; V123-F128 HydrophobicContact CG2-CE2 4.31Å; V123-F128 HydrophobicContact CG2-CZ 4.46Å; V123-I142 HydrophobicContact CG1-CD1 3.94Å; V123-I142 HydrophobicContact CG1-CG1 4.27Å; V123-F149 HydrophobicContact CG2-CE1 4.07Å; V123-F149 HydrophobicContact CG2-CZ 3.82Å; V123-V157 HydrophobicContact CG2-CG1 3.7Å; V123-W158 PolarHBondContact N-O 3.45Å; V123-I159 HydrophobicContact CB-CG1 4.39Å; V123-S160 PolarHBondContact O-N 3.28Å; V123-S160 PolarHBondContact O-OG 3.18Å
124	Y	98.5	Very high	97.3	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.016	9%	0.091	C	C	.	.			trans	-95.1	104.9	165.1	-166.9	-107.3	0	0	0	108.3	R126 S127 F128 F170 H445 R510 W531	Y124-R126 VanDerWaalsContact C-N 3.29Å; Y124-R126 HydrophobicContact CD1-CB 4.06Å; Y124-R126 HydrophobicContact CE1-CB 3.76Å; Y124-R126 PolarHBondContact O-N 2.83Å; Y124-S127 PolarHBondContact O-N 3.37Å; Y124-F128 PolarHBondContact O-N 3.11Å; Y124-F170 WeakPolarHBondContact OH-CB 3.36Å; Y124-F170 VanDerWaalsContact OH-CD2 3.3Å; Y124-F170 WeakPolarHBondContact OH-CD2 3.38Å; Y124-H445 HydrophobicContact CD2-CB 4.09Å; Y124-H445 HydrophobicContact CE2-CB 4.46Å; Y124-H445 AromaticContact CE2-CD2 3.99Å; Y124-R510 HydrophobicContact CD1-CB 4.38Å; Y124-R510 HydrophobicContact CD1-CG 4.44Å; Y124-R510 HydrophobicContact CE1-CB 4.14Å; Y124-R510 HydrophobicContact CE1-CG 4.16Å; Y124-W531 HydrophobicContact CD1-CZ2 4.39Å; Y124-W531 AromaticContact CE1-CH2 3.96Å; Y124-W531 HydrophobicContact CE1-CH2 3.96Å; Y124-W531 AromaticContact CE1-CZ2 3.72Å; Y124-W531 HydrophobicContact CE1-CZ2 3.72Å
125	P	98.1	Very high	97.4	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.013	9%	0.085	C	C	.	.	H	α-helix	trans	-58.1	-42.1	-163.2	20.7	-31.6	0	0	0	112.1	S127 F128 G137 I142 I159 F184	P125-S127 PolarHBondContact O-N 2.89Å; P125-F128 PolarHBondContact O-N 2.85Å; P125-G137 CarbonylContact O-C 3.23Å; P125-G137 VanDerWaalsContact O-C 3.23Å; P125-G137 VanDerWaalsContact O-CA 3.26Å; P125-G137 WeakPolarHBondContact O-CA 3.26Å; P125-I142 HydrophobicContact CB-CD1 4.21Å; P125-I159 HydrophobicContact CB-CG2 4.15Å; P125-I159 HydrophobicContact CG-CG2 4.19Å; P125-F184 HydrophobicContact CB-CD1 4.23Å; P125-F184 HydrophobicContact CB-CE1 4.13Å; P125-F184 HydrophobicContact CG-CE1 4.18Å; P125-F184 HydrophobicContact CG-CZ 4.12Å
126	R	97.9	Very high	97.5	Very high	34 Å²	34	16.4 Å²	16.4	13%	0.128	9%	0.086	C	C	.	.	H	α-helix	trans	-56.6	-21.5	179.9	-150.5	-178.2	180	170.3	2.4	114.7	Y124 V136 G137 F184 W531	Y124-R126 VanDerWaalsContact C-N 3.29Å; Y124-R126 HydrophobicContact CD1-CB 4.06Å; Y124-R126 HydrophobicContact CE1-CB 3.76Å; Y124-R126 PolarHBondContact O-N 2.83Å; R126-V136 HydrophobicContact CB-CG1 4.36Å; R126-V136 HydrophobicContact CG-CB 4.38Å; R126-V136 HydrophobicContact CG-CG1 3.42Å; R126-V136 VanDerWaalsContact CG-CG1 3.42Å; R126-V136 HydrophobicContact CG-CG2 4.26Å; R126-G137 PolarHBondContact O-N 2.92Å; R126-F184 HydrophobicContact CB-CE1 4.06Å; R126-F184 HydrophobicContact CB-CZ 4.45Å; R126-F184 HydrophobicContact CG-CE1 4.26Å; R126-W531 HydrophobicContact CB-CZ2 4.23Å; R126-W531 HydrophobicContact CG-CD2 3.98Å; R126-W531 HydrophobicContact CG-CG 4.17Å; R126-W531 HydrophobicContact CG-CZ2 4.21Å; R126-W531 VanDerWaalsContact CZ-CE3 3.45Å; R126-W531 VanDerWaalsContact O-CD1 3.3Å; R126-W531 PolarHBondContact O-NE1 2.83Å
127	S	98.6	Very high	97.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-123.2	2.4	-173	-68.9	0	0	0	0	114.2	Y124 P125 Y477 R510 P512 M513 W531	Y124-S127 PolarHBondContact O-N 3.37Å; P125-S127 PolarHBondContact O-N 2.89Å; S127-Y477 WeakPolarHBondContact CB-OH 3.39Å; S127-R510 VanDerWaalsContact CB-O 3.3Å; S127-R510 WeakPolarHBondContact CB-O 3.34Å; S127-R510 PolarHBondContact OG-O 3.25Å; S127-P512 CarbonylContact O-C 3.54Å; S127-P512 WeakPolarHBondContact O-CA 3.01Å; S127-M513 PolarHBondContact O-N 3.1Å; S127-W531 VanDerWaalsContact OG-CE2 3.31Å; S127-W531 WeakPolarHBondContact OG-CZ2 3.34Å; S127-W531 PolarHBondContact OG-NE1 2.87Å
128	F	98.8	Very high	98	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-82.5	-57.9	-174.5	-164.8	-112.6	0	0	0	112.6	Y121 V123 Y124 P125 I142 K145 F149 Y477 M513 W515	Y121-F128 AromaticContact CE1-CE2 3.94Å; Y121-F128 HydrophobicContact CE1-CE2 3.94Å; Y121-F128 HydrophobicContact CE1-CZ 4.46Å; V123-F128 HydrophobicContact CG1-CB 3.65Å; V123-F128 HydrophobicContact CG1-CD1 4.09Å; V123-F128 HydrophobicContact CG1-CD2 3.92Å; V123-F128 HydrophobicContact CG1-CG 3.62Å; V123-F128 HydrophobicContact CG2-CD2 4.4Å; V123-F128 HydrophobicContact CG2-CE2 4.31Å; V123-F128 HydrophobicContact CG2-CZ 4.46Å; Y124-F128 PolarHBondContact O-N 3.11Å; P125-F128 PolarHBondContact O-N 2.85Å; F128-I142 HydrophobicContact CB-CG1 4.46Å; F128-I142 HydrophobicContact CD1-CB 4.39Å; F128-I142 HydrophobicContact CD1-CG1 3.85Å; F128-K145 HydrophobicContact CE1-CB 3.76Å; F128-K145 HydrophobicContact CE1-CG 4.43Å; F128-K145 HydrophobicContact CZ-CB 4.43Å; F128-F149 HydrophobicContact CE1-CE1 4.47Å; F128-F149 HydrophobicContact CE1-CE2 4.44Å; F128-F149 AromaticContact CE1-CZ 3.75Å; F128-F149 HydrophobicContact CE1-CZ 3.75Å; F128-F149 HydrophobicContact CE2-CZ 4.47Å; F128-F149 AromaticContact CZ-CE1 3.8Å; F128-F149 HydrophobicContact CZ-CE1 3.8Å; F128-F149 AromaticContact CZ-CZ 3.52Å; F128-F149 HydrophobicContact CZ-CZ 3.52Å; F128-Y477 HydrophobicContact CD2-CD2 4.39Å; F128-Y477 HydrophobicContact CD2-CG 4.39Å; F128-M513 WeakPolarHBondContact O-CB 3.2Å; F128-W515 HydrophobicContact CD1-CZ2 4.19Å; F128-W515 HydrophobicContact CD2-CZ2 4.23Å; F128-W515 HydrophobicContact CE1-CH2 4.06Å; F128-W515 AromaticContact CE1-CZ2 3.85Å; F128-W515 HydrophobicContact CE1-CZ2 3.85Å; F128-W515 HydrophobicContact CE2-CH2 4Å; F128-W515 AromaticContact CE2-CZ2 3.86Å; F128-W515 HydrophobicContact CE2-CZ2 3.86Å; F128-W515 HydrophobicContact CG-CZ2 4.4Å; F128-W515 AromaticContact CZ-CH2 3.6Å; F128-W515 HydrophobicContact CZ-CH2 3.6Å; F128-W515 AromaticContact CZ-CZ2 3.67Å; F128-W515 HydrophobicContact CZ-CZ2 3.67Å; F128-W515 PolarHBondContact O-NE1 3.11Å
129	K	98.7	Very high	98.2	Very high	21 Å²	21	13.3 Å²	13.3	9%	0.091	7%	0.071	C	C	.	.			trans	-159.8	129.2	177.3	-179.4	70.9	-176.4	83.5	0	110.1	G137 D138 G141 K145 G522 F523	K129-G137 CarbonylContact O-C 3.54Å; K129-G137 WeakPolarHBondContact O-CA 3.47Å; K129-D138 PolarHBondContact O-N 2.87Å; K129-G141 WeakPolarHBondContact CB-O 3.38Å; K129-K145 HydrophobicContact CB-CG 4.15Å; K129-K145 HydrophobicContact CD-CG 4.4Å; K129-K145 HydrophobicContact CG-CG 4.09Å; K129-G522 WeakPolarHBondContact CE-O 3.16Å; K129-F523 WeakPolarHBondContact CD-O 3.14Å; K129-F523 PolarHBondContact NZ-O 2.95Å
130	D	98.7	Very high	98.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.089	C	C	.	.			trans	-99.2	121.7	176.6	164.5	-0.6	0	0	0	108.7	D132 G133 G135 V136 F523 N524	D130-D132 PolarHBondContact OD1-N 2.74Å; D130-D132 VanDerWaalsContact OD1-N 3.17Å; D130-G133 VanDerWaalsContact OD1-CA 3.31Å; D130-G133 WeakPolarHBondContact OD1-CA 3.26Å; D130-G133 PolarHBondContact OD1-N 3.09Å; D130-G135 VanDerWaalsContact OD2-CA 3.22Å; D130-G135 WeakPolarHBondContact OD2-CA 3.35Å; D130-G135 PolarHBondContact OD2-N 2.87Å; D130-V136 WeakPolarHBondContact CB-O 3.37Å; D130-F523 HydrophobicContact CB-CD1 4.03Å; D130-F523 HydrophobicContact CB-CD2 4.46Å; D130-F523 HydrophobicContact CB-CE1 3.58Å; D130-F523 HydrophobicContact CB-CE2 4.03Å; D130-F523 HydrophobicContact CB-CG 4.47Å; D130-F523 HydrophobicContact CB-CZ 3.6Å; D130-F523 PolarHBondContact N-O 2.75Å; D130-F523 VanDerWaalsContact N-O 3.12Å; D130-F523 VanDerWaalsContact O-O 3.09Å; D130-N524 HydrophobicContact CB-CB 3.9Å; D130-N524 VanDerWaalsContact OD2-CB 3.23Å; D130-N524 WeakPolarHBondContact OD2-CB 3.13Å; D130-N524 VanDerWaalsContact OD2-CG 3.22Å; D130-N524 PolarHBondContact OD2-ND2 3.05Å
131	S	98.1	Very high	98.3	Very high	25 Å²	25	17.4 Å²	17.4	18%	0.175	9%	0.089	C	C	.	.	S	Bend	trans	-99.1	-20.7	-175.1	74.6	0	0	0	0	113.8	D138 Q526	S131-D138 WeakPolarHBondContact CB-OD2 3.43Å; S131-D138 PolarHBondContact N-OD2 3.28Å; S131-D138 PolarHBondContact OG-OD1 3.07Å; S131-D138 PolarHBondContact OG-OD2 3.48Å; S131-Q526 PolarHBondContact O-NE2 3.36Å
132	D	97	Very high	98.3	Very high	97 Å²	97	17.4 Å²	17.4	52%	0.519	9%	0.089	S	C	.	.	S	Bend	trans	-112.9	-5.3	-174.1	72.9	11.7	0	0	0	114.6	D130 D134	D130-D132 PolarHBondContact OD1-N 2.74Å; D130-D132 VanDerWaalsContact OD1-N 3.17Å; D132-D134 WeakPolarHBondContact OD1-CB 3.4Å; D132-D134 PolarHBondContact OD1-N 3.31Å
133	G	97.3	Very high	98.2	Very high	3 Å²	3	20.1 Å²	20.1	3%	0.031	10%	0.1	C	C	.	.	S	Bend	trans	81.7	14	174.4	0	0	0	0	0	114.7	D130 G135 T527	D130-G133 VanDerWaalsContact OD1-CA 3.31Å; D130-G133 WeakPolarHBondContact OD1-CA 3.26Å; D130-G133 PolarHBondContact OD1-N 3.09Å; G133-G135 PolarHBondContact O-N 2.95Å; G133-T527 WeakPolarHBondContact O-CB 3.4Å; G133-T527 WeakPolarHBondContact O-CG2 3.18Å; G133-T527 PolarHBondContact O-OG1 3.34Å
134	D	97.1	Very high	98.2	Very high	73 Å²	73	25.4 Å²	25.4	39%	0.39	13%	0.125	S	C	.	.	S	Bend	trans	-72.3	-14.2	178.4	83.7	-13.4	0	0	0	113.5	D132 V136	D132-D134 WeakPolarHBondContact OD1-CB 3.4Å; D132-D134 PolarHBondContact OD1-N 3.31Å; D134-V136 WeakPolarHBondContact OD1-CA 3.36Å; D134-V136 WeakPolarHBondContact OD1-CB 3.24Å; D134-V136 PolarHBondContact OD1-N 2.78Å
135	G	97.6	Very high	98.2	Very high	2 Å²	2	28 Å²	28	2%	0.021	14%	0.136	C	C	.	.	S	Bend	trans	100.4	4.7	-179.2	0	0	0	0	0	114.5	D130 G133 K529 T530 W531	D130-G135 VanDerWaalsContact OD2-CA 3.22Å; D130-G135 WeakPolarHBondContact OD2-CA 3.35Å; D130-G135 PolarHBondContact OD2-N 2.87Å; G133-G135 PolarHBondContact O-N 2.95Å; G135-K529 VanDerWaalsContact CA-O 3.27Å; G135-K529 WeakPolarHBondContact CA-O 3.31Å; G135-T530 CarbonylContact O-C 3.55Å; G135-T530 WeakPolarHBondContact O-CA 3.39Å; G135-W531 PolarHBondContact O-N 3.38Å
136	V	98	Very high	98.2	Very high	10 Å²	10	27.9 Å²	27.9	6%	0.061	14%	0.136	C	C	.	.	S	Bend	trans	-125.2	138	-179.7	171.2	0	0	0	0	110.2	R126 D130 D134 L183 F184 W531	R126-V136 HydrophobicContact CB-CG1 4.36Å; R126-V136 HydrophobicContact CG-CB 4.38Å; R126-V136 HydrophobicContact CG-CG1 3.42Å; R126-V136 VanDerWaalsContact CG-CG1 3.42Å; R126-V136 HydrophobicContact CG-CG2 4.26Å; D130-V136 WeakPolarHBondContact CB-O 3.37Å; D134-V136 WeakPolarHBondContact OD1-CA 3.36Å; D134-V136 WeakPolarHBondContact OD1-CB 3.24Å; D134-V136 PolarHBondContact OD1-N 2.78Å; V136-L183 HydrophobicContact CB-CD1 3.93Å; V136-L183 HydrophobicContact CB-CG 4.3Å; V136-L183 HydrophobicContact CG1-CD1 3.79Å; V136-L183 HydrophobicContact CG1-CD2 3.88Å; V136-L183 HydrophobicContact CG1-CG 3.59Å; V136-L183 HydrophobicContact CG2-CD1 4.02Å; V136-F184 HydrophobicContact CG1-CE1 4.24Å; V136-W531 HydrophobicContact CG2-CB 3.72Å; V136-W531 HydrophobicContact CG2-CG 4.15Å
137	G	98.5	Very high	98.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.151	C	C	.	.			trans	-72.8	145.9	177.1	0	0	0	0	0	112	P125 R126 K129 F184	P125-G137 CarbonylContact O-C 3.23Å; P125-G137 VanDerWaalsContact O-C 3.23Å; P125-G137 VanDerWaalsContact O-CA 3.26Å; P125-G137 WeakPolarHBondContact O-CA 3.26Å; R126-G137 PolarHBondContact O-N 2.92Å; K129-G137 CarbonylContact O-C 3.54Å; K129-G137 WeakPolarHBondContact O-CA 3.47Å; G137-F184 VanDerWaalsContact O-CD1 3.24Å; G137-F184 WeakPolarHBondContact O-CD1 3.25Å
138	D	98.7	Very high	98.2	Very high	8 Å²	8	30.6 Å²	30.6	4%	0.043	15%	0.153	C	C	.	.			trans	-137.1	170.2	-169.8	67.1	58	0	0	0	112.1	K129 S131 K140 G141 I142	K129-D138 PolarHBondContact O-N 2.87Å; S131-D138 WeakPolarHBondContact CB-OD2 3.43Å; S131-D138 PolarHBondContact N-OD2 3.28Å; S131-D138 PolarHBondContact OG-OD1 3.07Å; S131-D138 PolarHBondContact OG-OD2 3.48Å; D138-K140 VanDerWaalsContact C-N 3.29Å; D138-K140 PolarHBondContact O-N 2.91Å; D138-K140 WeakPolarHBondContact OD1-CA 3.17Å; D138-K140 VanDerWaalsContact OD1-CB 3.32Å; D138-K140 WeakPolarHBondContact OD1-CB 3.36Å; D138-K140 PolarHBondContact OD1-N 3.37Å; D138-G141 PolarHBondContact O-N 3.43Å; D138-G141 PolarHBondContact OD1-N 3.47Å; D138-I142 PolarHBondContact O-N 3.46Å; D138-I142 VanDerWaalsContact O-N 3.12Å
139	L	98.8	Very high	98.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.7	-30.1	-176.8	-62.6	-176.8	0	0	0	112.9	I142 K143 F162 V180 F184 F190 L193	L139-I142 HydrophobicContact CD2-CD1 4.18Å; L139-I142 PolarHBondContact O-N 3.18Å; L139-K143 PolarHBondContact O-N 3.25Å; L139-F162 HydrophobicContact CD1-CD2 4.44Å; L139-F162 HydrophobicContact CD2-CB 4.5Å; L139-F162 HydrophobicContact CD2-CD1 4.49Å; L139-F162 HydrophobicContact CD2-CG 4.28Å; L139-V180 HydrophobicContact CD1-CG1 3.86Å; L139-F184 HydrophobicContact CG-CB 4.23Å; L139-F184 WeakPolarHBondContact CG-O 3.48Å; L139-F184 PolarHBondContact N-O 3Å; L139-F190 HydrophobicContact CD1-CB 3.86Å; L139-L193 HydrophobicContact CB-CD2 4.21Å; L139-L193 HydrophobicContact CD2-CD2 4.01Å
140	K	98.6	Very high	98	Very high	86 Å²	86	32.2 Å²	32.2	37%	0.374	16%	0.162	S	C	.	.	H	α-helix	trans	-70.2	-38.3	175.5	-68.1	175.5	-175.9	161.5	0	110.8	D138 I142 K143 E144 D189	D138-K140 VanDerWaalsContact C-N 3.29Å; D138-K140 PolarHBondContact O-N 2.91Å; D138-K140 WeakPolarHBondContact OD1-CA 3.17Å; D138-K140 VanDerWaalsContact OD1-CB 3.32Å; D138-K140 WeakPolarHBondContact OD1-CB 3.36Å; D138-K140 PolarHBondContact OD1-N 3.37Å; K140-I142 VanDerWaalsContact C-N 3.32Å; K140-I142 PolarHBondContact O-N 3.02Å; K140-K143 CarbonylContact O-C 3.57Å; K140-K143 WeakPolarHBondContact O-CA 3.35Å; K140-K143 VanDerWaalsContact O-CB 3.3Å; K140-K143 WeakPolarHBondContact O-CB 3.4Å; K140-K143 PolarHBondContact O-N 3.31Å; K140-K143 VanDerWaalsContact O-N 3.1Å; K140-E144 WeakPolarHBondContact O-CG 3.45Å; K140-E144 PolarHBondContact O-N 2.99Å; K140-D189 WeakPolarHBondContact CE-OD1 3.42Å; K140-D189 WeakPolarHBondContact CE-OD2 3.31Å; K140-D189 IonicContact NZ-OD1 3Å; K140-D189 PolarHBondContact NZ-OD1 3.02Å; K140-D189 IonicContact NZ-OD2 3.42Å; K140-D189 PolarHBondContact NZ-OD2 3.48Å
141	G	98.6	Very high	97.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.6	-39.7	172.9	0	0	0	0	0	112.1	K129 D138 K143 E144 K145	K129-G141 WeakPolarHBondContact CB-O 3.38Å; D138-G141 PolarHBondContact O-N 3.43Å; D138-G141 PolarHBondContact OD1-N 3.47Å; G141-K143 VanDerWaalsContact C-N 3.35Å; G141-E144 PolarHBondContact O-N 3.28Å; G141-K145 WeakPolarHBondContact O-CG 3.15Å; G141-K145 PolarHBondContact O-N 3.3Å
142	I	98.6	Very high	97.9	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.4	-44.5	171.4	-60.1	172.5	0	0	0	110.2	V123 P125 F128 D138 L139 K140 E144 K145 L146 F149 I159 L193	V123-I142 HydrophobicContact CG1-CD1 3.94Å; V123-I142 HydrophobicContact CG1-CG1 4.27Å; P125-I142 HydrophobicContact CB-CD1 4.21Å; F128-I142 HydrophobicContact CB-CG1 4.46Å; F128-I142 HydrophobicContact CD1-CB 4.39Å; F128-I142 HydrophobicContact CD1-CG1 3.85Å; D138-I142 PolarHBondContact O-N 3.46Å; D138-I142 VanDerWaalsContact O-N 3.12Å; L139-I142 HydrophobicContact CD2-CD1 4.18Å; L139-I142 PolarHBondContact O-N 3.18Å; K140-I142 VanDerWaalsContact C-N 3.32Å; K140-I142 PolarHBondContact O-N 3.02Å; I142-E144 VanDerWaalsContact C-N 3.32Å; I142-E144 PolarHBondContact O-N 3.01Å; I142-K145 CarbonylContact O-C 3.5Å; I142-K145 PolarHBondContact O-N 3.5Å; I142-L146 PolarHBondContact O-N 2.87Å; I142-F149 HydrophobicContact CG2-CE2 4.41Å; I142-I159 HydrophobicContact CD1-CD1 4.05Å; I142-I159 HydrophobicContact CD1-CG2 4.19Å; I142-I159 HydrophobicContact CG2-CD1 4.45Å; I142-L193 HydrophobicContact CB-CD1 4.41Å; I142-L193 HydrophobicContact CB-CD2 4.39Å; I142-L193 HydrophobicContact CG2-CD1 4.03Å; I142-L193 HydrophobicContact CG2-CD2 4.27Å
143	K	98.4	Very high	97.8	Very high	57 Å²	57	32.5 Å²	32.5	25%	0.248	16%	0.162	C	C	.	.	H	α-helix	trans	-58.3	-40.5	177	-169.5	173.5	66.6	-178.9	0	112.3	L139 K140 G141 K145 L146 E192 L193 E196	L139-K143 PolarHBondContact O-N 3.25Å; K140-K143 CarbonylContact O-C 3.57Å; K140-K143 WeakPolarHBondContact O-CA 3.35Å; K140-K143 VanDerWaalsContact O-CB 3.3Å; K140-K143 WeakPolarHBondContact O-CB 3.4Å; K140-K143 PolarHBondContact O-N 3.31Å; K140-K143 VanDerWaalsContact O-N 3.1Å; G141-K143 VanDerWaalsContact C-N 3.35Å; K143-K145 PolarHBondContact O-N 2.92Å; K143-L146 HydrophobicContact CG-CD1 4.37Å; K143-L146 WeakPolarHBondContact O-CG 3.36Å; K143-L146 PolarHBondContact O-N 3.37Å; K143-E192 IonicContact NZ-OE2 3.34Å; K143-E192 PolarHBondContact NZ-OE2 3.04Å; K143-L193 HydrophobicContact CB-CD1 3.88Å; K143-L193 HydrophobicContact CG-CD1 4.43Å; K143-E196 HydrophobicContact CD-CB 4.42Å; K143-E196 HydrophobicContact CG-CB 4.36Å; K143-E196 HydrophobicContact CG-CG 4.35Å
144	E	97.9	Very high	97.8	Very high	112 Å²	112	32.4 Å²	32.4	52%	0.523	16%	0.16	S	C	.	.	H	α-helix	trans	-63.2	-23.6	175.5	-72.9	177.8	-175.2	0	0	113.5	K140 G141 I142	K140-E144 WeakPolarHBondContact O-CG 3.45Å; K140-E144 PolarHBondContact O-N 2.99Å; G141-E144 PolarHBondContact O-N 3.28Å; I142-E144 VanDerWaalsContact C-N 3.32Å; I142-E144 PolarHBondContact O-N 3.01Å
145	K	98.1	Very high	97.8	Very high	57 Å²	57	33.8 Å²	33.8	25%	0.248	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	12.1	-174.5	-63.2	-60.1	-176.2	-173.4	0	113.7	F128 K129 G141 I142 K143 D147 H148 W515	F128-K145 HydrophobicContact CE1-CB 3.76Å; F128-K145 HydrophobicContact CE1-CG 4.43Å; F128-K145 HydrophobicContact CZ-CB 4.43Å; K129-K145 HydrophobicContact CB-CG 4.15Å; K129-K145 HydrophobicContact CD-CG 4.4Å; K129-K145 HydrophobicContact CG-CG 4.09Å; G141-K145 WeakPolarHBondContact O-CG 3.15Å; G141-K145 PolarHBondContact O-N 3.3Å; I142-K145 CarbonylContact O-C 3.5Å; I142-K145 PolarHBondContact O-N 3.5Å; K143-K145 PolarHBondContact O-N 2.92Å; K145-D147 PolarHBondContact O-N 2.89Å; K145-D147 VanDerWaalsContact O-N 3.16Å; K145-H148 WeakPolarHBondContact O-CB 3.07Å; K145-H148 PolarHBondContact O-N 2.92Å; K145-W515 HydrophobicContact CB-CH2 3.9Å; K145-W515 HydrophobicContact CB-CZ2 4.1Å; K145-W515 HydrophobicContact CD-CD2 4.19Å; K145-W515 HydrophobicContact CD-CE3 4.1Å; K145-W515 HydrophobicContact CD-CH2 3.94Å; K145-W515 HydrophobicContact CD-CZ2 4.02Å; K145-W515 HydrophobicContact CD-CZ3 3.98Å; K145-W515 HydrophobicContact CG-CH2 3.83Å; K145-W515 HydrophobicContact CG-CZ2 3.66Å; K145-W515 HydrophobicContact CG-CZ3 4.39Å
146	L	98.4	Very high	97.8	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-56.6	-33.5	177.8	-66.5	-180	0	0	0	113.4	I142 K143 H148 F149 L150 L193 E196 M197 K200 L203	I142-L146 PolarHBondContact O-N 2.87Å; K143-L146 HydrophobicContact CG-CD1 4.37Å; K143-L146 WeakPolarHBondContact O-CG 3.36Å; K143-L146 PolarHBondContact O-N 3.37Å; L146-H148 PolarHBondContact O-N 3.37Å; L146-F149 HydrophobicContact CD2-CD2 3.99Å; L146-F149 HydrophobicContact CD2-CE2 3.94Å; L146-F149 PolarHBondContact O-N 3.45Å; L146-F149 VanDerWaalsContact O-N 3.14Å; L146-L150 PolarHBondContact O-N 2.94Å; L146-L193 HydrophobicContact CD1-CD1 4.45Å; L146-L193 HydrophobicContact CD2-CD1 4.08Å; L146-E196 HydrophobicContact CD1-CB 3.92Å; L146-E196 HydrophobicContact CD1-CG 3.55Å; L146-M197 HydrophobicContact CD1-CG 4.07Å; L146-M197 HydrophobicContact CD2-CG 3.55Å; L146-M197 HydrophobicContact CD2-SD 4.44Å; L146-M197 HydrophobicContact CG-CG 4.47Å; L146-K200 HydrophobicContact CB-CD 4.11Å; L146-K200 HydrophobicContact CD1-CD 4.23Å; L146-L203 HydrophobicContact CB-CD1 4.35Å; L146-L203 HydrophobicContact CD2-CD1 3.87Å
147	D	97.6	Very high	97.8	Very high	82 Å²	82	33.2 Å²	33.2	44%	0.439	16%	0.159	S	C	.	.	H	α-helix	trans	-64.9	-23.5	177.7	-64.7	-13.3	0	0	0	112.3	K145 L150 D151 K200	K145-D147 PolarHBondContact O-N 2.89Å; K145-D147 VanDerWaalsContact O-N 3.16Å; D147-L150 PolarHBondContact O-N 3.04Å; D147-D151 WeakPolarHBondContact O-CB 3.41Å; D147-D151 PolarHBondContact O-N 3.22Å; D147-K200 IonicContact OD1-NZ 3Å; D147-K200 PolarHBondContact OD1-NZ 3.4Å; D147-K200 IonicContact OD2-NZ 2.7Å; D147-K200 PolarHBondContact OD2-NZ 3.09Å
148	H	98.1	Very high	97.8	Very high	8 Å²	8	33.5 Å²	33.5	4%	0.037	16%	0.16	C	C	.	.	H	α-helix	trans	-62.8	-43.2	172.9	-177.3	63.1	0	0	0	111.7	K145 L146 L150 D151 L152 E480 W515	K145-H148 WeakPolarHBondContact O-CB 3.07Å; K145-H148 PolarHBondContact O-N 2.92Å; L146-H148 PolarHBondContact O-N 3.37Å; H148-L150 VanDerWaalsContact C-N 3.31Å; H148-L150 PolarHBondContact O-N 3.34Å; H148-D151 PolarHBondContact O-N 2.88Å; H148-L152 WeakPolarHBondContact NE2-CD1 3.37Å; H148-L152 VanDerWaalsContact O-CG 3.29Å; H148-L152 WeakPolarHBondContact O-CG 3.34Å; H148-L152 PolarHBondContact O-N 3.47Å; H148-L152 VanDerWaalsContact O-N 3.08Å; H148-E480 IonicContact CE1-OE1 3.04Å; H148-E480 IonicContact NE2-OE1 2.74Å; H148-E480 PolarHBondContact NE2-OE1 3.22Å; H148-W515 HydrophobicContact CB-CH2 4.14Å; H148-W515 HydrophobicContact CB-CZ3 3.99Å; H148-W515 AromaticContact CD2-CH2 3.71Å; H148-W515 AromaticContact CD2-CZ3 3.81Å; H148-W515 AromaticContact CG-CH2 3.87Å; H148-W515 AromaticContact CG-CZ3 3.61Å; H148-W515 AromaticContact ND1-CZ3 3.78Å
149	F	98.1	Very high	97.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.5	-41.1	177.3	-54.4	-55.7	0	0	0	111	Y121 V123 F128 I142 L146 L152 N153 I154 V157 L203	Y121-F149 HydrophobicContact CD1-CD1 4.11Å; Y121-F149 AromaticContact CD1-CE1 3.51Å; Y121-F149 HydrophobicContact CD1-CE1 3.51Å; Y121-F149 HydrophobicContact CE1-CD1 4.46Å; Y121-F149 AromaticContact CE1-CE1 3.72Å; Y121-F149 HydrophobicContact CE1-CE1 3.72Å; Y121-F149 HydrophobicContact CG-CD1 4.33Å; Y121-F149 HydrophobicContact CG-CE1 4.17Å; V123-F149 HydrophobicContact CG2-CE1 4.07Å; V123-F149 HydrophobicContact CG2-CZ 3.82Å; F128-F149 HydrophobicContact CE1-CE1 4.47Å; F128-F149 HydrophobicContact CE1-CE2 4.44Å; F128-F149 AromaticContact CE1-CZ 3.75Å; F128-F149 HydrophobicContact CE1-CZ 3.75Å; F128-F149 HydrophobicContact CE2-CZ 4.47Å; F128-F149 AromaticContact CZ-CE1 3.8Å; F128-F149 HydrophobicContact CZ-CE1 3.8Å; F128-F149 AromaticContact CZ-CZ 3.52Å; F128-F149 HydrophobicContact CZ-CZ 3.52Å; I142-F149 HydrophobicContact CG2-CE2 4.41Å; L146-F149 HydrophobicContact CD2-CD2 3.99Å; L146-F149 HydrophobicContact CD2-CE2 3.94Å; L146-F149 PolarHBondContact O-N 3.45Å; L146-F149 VanDerWaalsContact O-N 3.14Å; F149-L152 CarbonylContact O-C 3.54Å; F149-L152 PolarHBondContact O-N 2.87Å; F149-N153 PolarHBondContact O-N 3.48Å; F149-N153 VanDerWaalsContact O-N 3.17Å; F149-I154 HydrophobicContact CB-CB 4.25Å; F149-I154 HydrophobicContact CB-CG2 4.46Å; F149-I154 PolarHBondContact O-N 2.93Å; F149-V157 HydrophobicContact CD1-CG2 4.12Å; F149-V157 HydrophobicContact CD2-CG2 3.9Å; F149-V157 HydrophobicContact CE1-CG1 4.42Å; F149-V157 HydrophobicContact CE1-CG2 4.28Å; F149-V157 HydrophobicContact CE2-CG1 4.36Å; F149-V157 HydrophobicContact CE2-CG2 4.07Å; F149-V157 HydrophobicContact CG-CG2 3.93Å; F149-V157 HydrophobicContact CZ-CG1 4.07Å; F149-V157 HydrophobicContact CZ-CG2 4.26Å; F149-L203 HydrophobicContact CB-CD2 4.18Å; F149-L203 HydrophobicContact CD2-CD1 4.21Å
150	L	96.3	Very high	97.8	Very high	56 Å²	56	33.1 Å²	33.1	29%	0.293	16%	0.158	S	C	.	.	H	α-helix	trans	-65.1	-42.9	177	-58.7	-178.9	0	0	0	111.9	L146 D147 H148 L152 N153 K200 L203	L146-L150 PolarHBondContact O-N 2.94Å; D147-L150 PolarHBondContact O-N 3.04Å; H148-L150 VanDerWaalsContact C-N 3.31Å; H148-L150 PolarHBondContact O-N 3.34Å; L150-L152 PolarHBondContact O-N 2.75Å; L150-N153 PolarHBondContact O-N 2.96Å; L150-N153 PolarHBondContact O-OD1 2.65Å; L150-K200 HydrophobicContact CD1-CB 4.42Å; L150-L203 HydrophobicContact CD2-CD2 3.89Å; L150-L203 HydrophobicContact CD2-CG 4.35Å
151	D	96.1	Very high	97.7	Very high	60 Å²	60	29.2 Å²	29.2	32%	0.321	14%	0.141	S	C	.	.	H	α-helix	trans	-59.4	-31.4	175.3	-84	-17.5	0	0	0	112.7	D147 H148 N153 K547 R558	D147-D151 WeakPolarHBondContact O-CB 3.41Å; D147-D151 PolarHBondContact O-N 3.22Å; H148-D151 PolarHBondContact O-N 2.88Å; D151-N153 VanDerWaalsContact C-N 3.34Å; D151-K547 IonicContact OD2-NZ 3.5Å; D151-K547 PolarHBondContact OD2-NZ 3.47Å; D151-R558 PolarHBondContact O-NE 3.23Å; D151-R558 PolarHBondContact O-NH2 2.92Å
152	L	97.2	Very high	97.7	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-4.6	175.2	-67.4	179.2	0	0	0	113.6	Y121 H148 F149 L150 I154 E480 L554 Y557 R558 N561	Y121-L152 HydrophobicContact CD2-CD1 4.45Å; Y121-L152 HydrophobicContact CE2-CD1 3.98Å; H148-L152 WeakPolarHBondContact NE2-CD1 3.37Å; H148-L152 VanDerWaalsContact O-CG 3.29Å; H148-L152 WeakPolarHBondContact O-CG 3.34Å; H148-L152 PolarHBondContact O-N 3.47Å; H148-L152 VanDerWaalsContact O-N 3.08Å; F149-L152 CarbonylContact O-C 3.54Å; F149-L152 PolarHBondContact O-N 2.87Å; L150-L152 PolarHBondContact O-N 2.75Å; L152-I154 VanDerWaalsContact C-N 3.32Å; L152-I154 HydrophobicContact CB-CD1 3.74Å; L152-I154 HydrophobicContact CB-CG1 3.8Å; L152-I154 HydrophobicContact CD1-CD1 3.82Å; L152-I154 HydrophobicContact CG-CD1 4.45Å; L152-E480 HydrophobicContact CD1-CG 4.06Å; L152-E480 HydrophobicContact CD2-CB 4.45Å; L152-E480 HydrophobicContact CD2-CG 4.16Å; L152-L554 HydrophobicContact CD2-CD1 3.51Å; L152-Y557 HydrophobicContact CD2-CD1 3.93Å; L152-Y557 HydrophobicContact CD2-CE1 4.26Å; L152-R558 HydrophobicContact CD2-CG 3.8Å; L152-N561 PolarHBondContact O-ND2 3.13Å
153	N	96.2	Very high	97.7	Very high	67 Å²	67	29.3 Å²	29.3	36%	0.358	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	39.1	-168.6	-69.6	-31.1	0	0	0	113.4	F149 L150 D151 N561 S562 Q565	F149-N153 PolarHBondContact O-N 3.48Å; F149-N153 VanDerWaalsContact O-N 3.17Å; L150-N153 PolarHBondContact O-N 2.96Å; L150-N153 PolarHBondContact O-OD1 2.65Å; D151-N153 VanDerWaalsContact C-N 3.34Å; N153-N561 PolarHBondContact O-ND2 3.4Å; N153-S562 PolarHBondContact ND2-OG 2.74Å; N153-Q565 PolarHBondContact O-NE2 3.31Å
154	I	97.3	Very high	97.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.147	C	C	.	.			trans	-100.8	136	177.8	-65.4	179	0	0	0	109	Y121 F149 L152 A156 L203 Y557	Y121-I154 HydrophobicContact CD2-CD1 3.36Å; Y121-I154 HydrophobicContact CE2-CD1 4.2Å; Y121-I154 HydrophobicContact CG-CD1 3.94Å; F149-I154 HydrophobicContact CB-CB 4.25Å; F149-I154 HydrophobicContact CB-CG2 4.46Å; F149-I154 PolarHBondContact O-N 2.93Å; L152-I154 VanDerWaalsContact C-N 3.32Å; L152-I154 HydrophobicContact CB-CD1 3.74Å; L152-I154 HydrophobicContact CB-CG1 3.8Å; L152-I154 HydrophobicContact CD1-CD1 3.82Å; L152-I154 HydrophobicContact CG-CD1 4.45Å; I154-A156 WeakPolarHBondContact CG2-O 3.49Å; I154-L203 WeakPolarHBondContact O-CD2 3.4Å; I154-Y557 HydrophobicContact CD1-CE1 4.35Å
155	K	96.4	Very high	97.6	Very high	103 Å²	103	26.1 Å²	26.1	45%	0.448	13%	0.125	S	C	.	.			trans	-121.9	-15.6	176.2	-59.9	-176.5	-179.3	-176.4	0	113.5	T118 L203 K204	T118-K155 HydrophobicContact CG2-CB 3.85Å; T118-K155 PolarHBondContact OG1-N 2.87Å; K155-L203 CarbonylContact O-C 3.57Å; K155-L203 WeakPolarHBondContact O-CA 3.41Å; K155-K204 WeakPolarHBondContact O-CB 3.3Å; K155-K204 PolarHBondContact O-N 2.9Å
156	A	98.1	Very high	97.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	118.4	176	0	0	0	0	0	109.7	W114 T118 V120 Y121 I154 I206	W114-A156 HydrophobicContact CE3-CB 4.22Å; W114-A156 HydrophobicContact CZ3-CB 3.66Å; T118-A156 HydrophobicContact CG2-CB 3.6Å; V120-A156 WeakPolarHBondContact CA-O 3.2Å; V120-A156 HydrophobicContact CG2-CB 4.08Å; Y121-A156 PolarHBondContact N-O 3.47Å; I154-A156 WeakPolarHBondContact CG2-O 3.49Å; A156-I206 HydrophobicContact CB-CD1 4.44Å
157	V	98.7	Very high	97.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	119.3	177.5	-176.1	0	0	0	0	107.6	Y121 V123 F149 I159 M197 K204 L205 I206	Y121-V157 WeakPolarHBondContact O-CA 3.28Å; V123-V157 HydrophobicContact CG2-CG1 3.7Å; F149-V157 HydrophobicContact CD1-CG2 4.12Å; F149-V157 HydrophobicContact CD2-CG2 3.9Å; F149-V157 HydrophobicContact CE1-CG1 4.42Å; F149-V157 HydrophobicContact CE1-CG2 4.28Å; F149-V157 HydrophobicContact CE2-CG1 4.36Å; F149-V157 HydrophobicContact CE2-CG2 4.07Å; F149-V157 HydrophobicContact CG-CG2 3.93Å; F149-V157 HydrophobicContact CZ-CG1 4.07Å; F149-V157 HydrophobicContact CZ-CG2 4.26Å; V157-I159 HydrophobicContact CG1-CG1 4.03Å; V157-M197 HydrophobicContact CB-CE 3.75Å; V157-M197 HydrophobicContact CG1-CE 4.4Å; V157-M197 HydrophobicContact CG2-CE 4Å; V157-K204 PolarHBondContact N-O 2.88Å; V157-L205 WeakPolarHBondContact O-CA 3.37Å; V157-I206 PolarHBondContact O-N 2.93Å
158	W	98.6	Very high	97	Very high	5 Å²	5	25.9 Å²	25.9	2%	0.019	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	122.1	169.7	163.3	29.3	0	0	0	108.1	V120 Y121 Q122 V123 I206 D208 R307 F405 T474	V120-W158 HydrophobicContact CG1-CB 3.8Å; Y121-W158 PolarHBondContact O-N 2.75Å; Q122-W158 CarbonylContact C-O 3.53Å; Q122-W158 WeakPolarHBondContact CA-O 3.32Å; Q122-W158 HydrophobicContact CB-CD2 4.11Å; Q122-W158 HydrophobicContact CB-CE3 3.55Å; Q122-W158 HydrophobicContact CB-CZ3 3.87Å; Q122-W158 HydrophobicContact CG-CD2 3.76Å; Q122-W158 HydrophobicContact CG-CE3 3.53Å; Q122-W158 HydrophobicContact CG-CG 4.46Å; Q122-W158 HydrophobicContact CG-CH2 3.91Å; Q122-W158 HydrophobicContact CG-CZ2 4.08Å; Q122-W158 HydrophobicContact CG-CZ3 3.63Å; Q122-W158 VanDerWaalsContact NE2-CZ2 3.31Å; V123-W158 PolarHBondContact N-O 3.45Å; W158-I206 VanDerWaalsContact CA-O 3.29Å; W158-I206 WeakPolarHBondContact CA-O 3.45Å; W158-I206 HydrophobicContact CB-CB 4.08Å; W158-I206 HydrophobicContact CB-CG2 4.38Å; W158-I206 HydrophobicContact CG-CG2 4.5Å; W158-D208 WeakPolarHBondContact CZ2-OD2 3.18Å; W158-D208 PolarHBondContact NE1-OD2 3.21Å; W158-R307 VanDerWaalsContact CE2-CD 3.41Å; W158-R307 VanDerWaalsContact CH2-CD 3.43Å; W158-R307 HydrophobicContact CZ2-CG 4.41Å; W158-F405 AromaticContact CE3-CZ 3.95Å; W158-F405 HydrophobicContact CE3-CZ 3.95Å; W158-F405 HydrophobicContact CZ3-CE2 4.21Å; W158-F405 AromaticContact CZ3-CZ 3.86Å; W158-F405 HydrophobicContact CZ3-CZ 3.86Å; W158-T474 HydrophobicContact CE3-CG2 4.48Å; W158-T474 HydrophobicContact CZ3-CG2 4.5Å
159	I	98.6	Very high	96.6	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	124.7	174.7	-51.8	179.7	0	0	0	107.6	V123 P125 I142 V157 F162 L193 L205 I206 D208	V123-I159 HydrophobicContact CB-CG1 4.39Å; P125-I159 HydrophobicContact CB-CG2 4.15Å; P125-I159 HydrophobicContact CG-CG2 4.19Å; I142-I159 HydrophobicContact CD1-CD1 4.05Å; I142-I159 HydrophobicContact CD1-CG2 4.19Å; I142-I159 HydrophobicContact CG2-CD1 4.45Å; V157-I159 HydrophobicContact CG1-CG1 4.03Å; I159-F162 HydrophobicContact CB-CD1 4.33Å; I159-F162 HydrophobicContact CB-CE1 4.26Å; I159-F162 HydrophobicContact CG2-CD1 3.81Å; I159-F162 HydrophobicContact CG2-CE1 4.22Å; I159-L193 HydrophobicContact CD1-CD2 4.1Å; I159-L205 HydrophobicContact CB-CD1 4.24Å; I159-L205 HydrophobicContact CD1-CD1 3.44Å; I159-L205 VanDerWaalsContact CD1-CD1 3.44Å; I159-L205 HydrophobicContact CG1-CD1 3.55Å; I159-I206 PolarHBondContact N-O 2.89Å; I159-D208 PolarHBondContact O-N 3.03Å
160	S	97.7	Very high	96.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.126	C	C	.	.			trans	-59.5	165.9	172.1	-45.7	0	0	0	0	109.9	V123 F162	V123-S160 PolarHBondContact O-N 3.28Å; V123-S160 PolarHBondContact O-OG 3.18Å; S160-F162 PolarHBondContact O-N 3.36Å
161	P	97.3	Very high	96.1	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.019	11%	0.112	C	C	.	.			trans	-53.4	133.4	-168	-25.4	31.8	0	0	0	114.4	Y163 G171 Y172 D208 I210	P161-Y163 HydrophobicContact CB-CD2 4.12Å; P161-Y163 HydrophobicContact CB-CE2 4.5Å; P161-G171 VanDerWaalsContact CB-O 3.26Å; P161-G171 WeakPolarHBondContact CB-O 3.29Å; P161-Y172 WeakPolarHBondContact CD-OH 3.36Å; P161-Y172 HydrophobicContact CG-CD1 3.72Å; P161-Y172 HydrophobicContact CG-CD2 3.96Å; P161-Y172 HydrophobicContact CG-CE1 3.45Å; P161-Y172 VanDerWaalsContact CG-CE1 3.45Å; P161-Y172 HydrophobicContact CG-CE2 3.74Å; P161-Y172 HydrophobicContact CG-CG 3.95Å; P161-Y172 VanDerWaalsContact CG-CZ 3.47Å; P161-D208 HydrophobicContact CG-CB 3.78Å; P161-I210 HydrophobicContact CB-CD1 4.25Å; P161-I210 HydrophobicContact CG-CD1 3.9Å
162	F	97.9	Very high	96.1	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.009	10%	0.098	C	C	.	.			trans	-127.4	13.6	172.7	57.6	-97	0	0	0	112.4	L139 I159 S160 V180 D181 F184 F190 M207 W298	L139-F162 HydrophobicContact CD1-CD2 4.44Å; L139-F162 HydrophobicContact CD2-CB 4.5Å; L139-F162 HydrophobicContact CD2-CD1 4.49Å; L139-F162 HydrophobicContact CD2-CG 4.28Å; I159-F162 HydrophobicContact CB-CD1 4.33Å; I159-F162 HydrophobicContact CB-CE1 4.26Å; I159-F162 HydrophobicContact CG2-CD1 3.81Å; I159-F162 HydrophobicContact CG2-CE1 4.22Å; S160-F162 PolarHBondContact O-N 3.36Å; F162-V180 HydrophobicContact CD2-CG1 4.3Å; F162-V180 HydrophobicContact CD2-CG2 4.13Å; F162-V180 HydrophobicContact CE2-CG2 4.22Å; F162-D181 PolarHBondContact O-N 2.83Å; F162-F184 HydrophobicContact CB-CB 4.44Å; F162-F184 HydrophobicContact CB-CD2 3.61Å; F162-F184 HydrophobicContact CB-CE2 4.14Å; F162-F184 HydrophobicContact CB-CG 4.21Å; F162-F190 AromaticContact CE2-CD2 3.66Å; F162-F190 HydrophobicContact CE2-CD2 3.66Å; F162-F190 HydrophobicContact CE2-CE2 4.05Å; F162-F190 HydrophobicContact CE2-CG 4.44Å; F162-F190 AromaticContact CZ-CD2 3.64Å; F162-F190 HydrophobicContact CZ-CD2 3.64Å; F162-F190 AromaticContact CZ-CE2 3.65Å; F162-F190 HydrophobicContact CZ-CE2 3.65Å; F162-M207 HydrophobicContact CE1-CE 4.06Å; F162-M207 HydrophobicContact CE1-CG 4.12Å; F162-M207 HydrophobicContact CE1-SD 4.41Å; F162-M207 HydrophobicContact CE2-CE 3.95Å; F162-M207 HydrophobicContact CZ-CE 3.4Å; F162-M207 VanDerWaalsContact CZ-CE 3.4Å; F162-M207 HydrophobicContact CZ-CG 4.04Å; F162-M207 HydrophobicContact CZ-SD 3.74Å; F162-W298 HydrophobicContact CE2-CH2 4.22Å; F162-W298 HydrophobicContact CE2-CZ3 4.44Å
163	Y	98.4	Very high	96	Very high	1 Å²	1	21.2 Å²	21.2	0%	0.004	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	154.8	172.4	-54.8	-71.3	0	0	0	110.7	P161 S165 V174 F177 D179 D181 M207 D208 I210 W298	P161-Y163 HydrophobicContact CB-CD2 4.12Å; P161-Y163 HydrophobicContact CB-CE2 4.5Å; Y163-S165 PolarHBondContact O-N 2.87Å; Y163-V174 HydrophobicContact CD2-CG2 3.87Å; Y163-V174 HydrophobicContact CG-CG1 4.15Å; Y163-V174 HydrophobicContact CG-CG2 4.24Å; Y163-F177 WeakPolarHBondContact CD1-O 2.97Å; Y163-D179 WeakPolarHBondContact CA-O 3.13Å; Y163-D181 WeakPolarHBondContact O-CB 3.47Å; Y163-M207 HydrophobicContact CE1-CE 3.72Å; Y163-M207 WeakPolarHBondContact OH-CE 3.39Å; Y163-D208 WeakPolarHBondContact CE2-O 3.38Å; Y163-D208 VanDerWaalsContact CZ-O 3.3Å; Y163-D208 PolarHBondContact OH-O 2.95Å; Y163-I210 HydrophobicContact CD2-CD1 4.01Å; Y163-I210 HydrophobicContact CE2-CD1 3.71Å; Y163-W298 AromaticContact CD1-CZ2 3.93Å; Y163-W298 HydrophobicContact CD1-CZ2 3.93Å; Y163-W298 AromaticContact CE1-CE2 3.69Å; Y163-W298 AromaticContact CE1-CZ2 3.67Å; Y163-W298 HydrophobicContact CE1-CZ2 3.67Å; Y163-W298 AromaticContact CE1-NE1 3.51Å
164	R	98.3	Very high	96.1	Very high	93 Å²	93	18 Å²	18	35%	0.351	8%	0.081	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	122.6	170.4	-177.8	175.2	171.7	150.4	-1.9	110.6	E175 D176 D179 D181	R164-E175 HydrophobicContact CG-CB 4.45Å; R164-E175 IonicContact CZ-OE1 3.28Å; R164-E175 IonicContact NE-OE1 3.68Å; R164-E175 PolarHBondContact NE-OE1 2.87Å; R164-E175 IonicContact NH2-OE1 2.7Å; R164-E175 PolarHBondContact NH2-OE1 2.82Å; R164-E175 PolarHBondContact O-N 3.13Å; R164-D176 HydrophobicContact CB-CB 4.15Å; R164-D176 PolarHBondContact O-N 3.21Å; R164-D179 HydrophobicContact CB-CB 4.22Å; R164-D179 PolarHBondContact N-O 3.36Å; R164-D179 VanDerWaalsContact N-O 3.1Å; R164-D179 IonicContact NH1-OD2 3.5Å; R164-D181 WeakPolarHBondContact CA-OD2 3.29Å
165	S	97.4	Very high	96.1	Very high	8 Å²	8	20.1 Å²	20.1	6%	0.056	9%	0.091	C	C	.	.			trans	-149.8	144	-169.8	171.4	0	0	0	0	111.6	Y163 M167 D173 D181	Y163-S165 PolarHBondContact O-N 2.87Å; S165-M167 PolarHBondContact O-N 2.83Å; S165-M167 VanDerWaalsContact O-N 3.12Å; S165-M167 PolarHBondContact OG-N 3.26Å; S165-D173 WeakPolarHBondContact CA-O 3.35Å; S165-D173 VanDerWaalsContact CB-O 3.3Å; S165-D173 WeakPolarHBondContact CB-O 3.27Å; S165-D173 VanDerWaalsContact OG-CG 3.25Å; S165-D173 PolarHBondContact OG-O 3.27Å; S165-D173 PolarHBondContact OG-OD1 3.29Å; S165-D173 PolarHBondContact OG-OD2 2.91Å; S165-D181 PolarHBondContact N-OD2 3.41Å; S165-D181 VanDerWaalsContact O-OD2 3.09Å
166	P	95.6	Very high	96.2	Very high	28 Å²	28	18.2 Å²	18.2	18%	0.182	9%	0.085	C	C	.	.			trans	-67.4	-3.4	169.1	-22.8	37.9	0	0	0	114.3	K168 D173 E175 S215 R217	P166-K168 HydrophobicContact CB-CG 4.34Å; P166-K168 PolarHBondContact O-N 3.47Å; P166-D173 WeakPolarHBondContact CD-O 3.2Å; P166-D173 VanDerWaalsContact CD-OD2 3.3Å; P166-D173 WeakPolarHBondContact CD-OD2 3.31Å; P166-E175 HydrophobicContact CG-CB 4.39Å; P166-S215 WeakPolarHBondContact CG-OG 3.48Å; P166-R217 HydrophobicContact CG-CB 4.21Å; P166-R217 HydrophobicContact CG-CG 4.07Å
167	M	93.3	Very high	96.2	Very high	30 Å²	30	18.3 Å²	18.3	15%	0.148	9%	0.086	C	C	.	.	S	Bend	trans	62.5	27.8	179.3	-57.4	-67.1	162.6	0	0	113.1	S165 D169 D173 D181 L183 F184	S165-M167 PolarHBondContact O-N 2.83Å; S165-M167 VanDerWaalsContact O-N 3.12Å; S165-M167 PolarHBondContact OG-N 3.26Å; M167-D169 VanDerWaalsContact C-N 3.3Å; M167-D173 PolarHBondContact N-OD2 2.88Å; M167-D181 HydrophobicContact CE-CB 3.7Å; M167-D181 WeakPolarHBondContact CE-OD2 3.29Å; M167-L183 HydrophobicContact CE-CD2 4.17Å; M167-L183 HydrophobicContact CG-CD2 4.44Å; M167-L183 HydrophobicContact SD-CD2 4.36Å; M167-F184 HydrophobicContact CE-CD2 4.47Å; M167-F184 HydrophobicContact CE-CE2 3.72Å; M167-F184 HydrophobicContact CE-CZ 4.19Å
168	K	91.1	Very high	96.2	Very high	77 Å²	77	23.3 Å²	23.3	34%	0.335	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-33.6	171.9	-67.3	-70.5	-169.2	137.9	0	111	P166 D173 L274 E276 P496	P166-K168 HydrophobicContact CB-CG 4.34Å; P166-K168 PolarHBondContact O-N 3.47Å; K168-D173 WeakPolarHBondContact CA-OD2 3.49Å; K168-D173 HydrophobicContact CB-CB 4.29Å; K168-D173 WeakPolarHBondContact CB-OD2 3.29Å; K168-D173 VanDerWaalsContact N-CG 3.26Å; K168-D173 PolarHBondContact N-OD1 3.22Å; K168-D173 VanDerWaalsContact N-OD1 3.1Å; K168-D173 PolarHBondContact N-OD2 3.15Å; K168-L274 HydrophobicContact CB-CD1 4.48Å; K168-E276 HydrophobicContact CB-CB 4.28Å; K168-E276 HydrophobicContact CD-CG 4.33Å; K168-E276 HydrophobicContact CG-CB 4.06Å; K168-E276 HydrophobicContact CG-CG 4.1Å; K168-E276 IonicContact NZ-OE1 2.74Å; K168-E276 PolarHBondContact NZ-OE1 3.27Å; K168-P496 WeakPolarHBondContact O-CG 3.36Å
169	D	90.1	Very high	96.2	Very high	8 Å²	8	25.5 Å²	25.5	4%	0.043	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128	41.2	169.3	-165.3	17.5	0	0	0	109.5	M167 G171 Y172 D173 L274 Q277 R506	M167-D169 VanDerWaalsContact C-N 3.3Å; D169-G171 VanDerWaalsContact C-N 3.27Å; D169-G171 PolarHBondContact O-N 3.38Å; D169-G171 VanDerWaalsContact O-N 3.08Å; D169-Y172 WeakPolarHBondContact O-CD2 3.31Å; D169-Y172 PolarHBondContact O-N 2.9Å; D169-D173 PolarHBondContact N-OD1 3.05Å; D169-L274 HydrophobicContact CB-CD1 4.24Å; D169-Q277 PolarHBondContact OD2-NE2 3.31Å; D169-R506 IonicContact OD1-CZ 3.59Å; D169-R506 IonicContact OD1-NH1 3.31Å; D169-R506 IonicContact OD1-NH2 2.88Å; D169-R506 PolarHBondContact OD1-NH2 2.88Å
170	F	92.1	Very high	96.2	Very high	11 Å²	11	25.5 Å²	25.5	5%	0.048	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	48	41.2	175	-52.9	-36.8	0	0	0	115.9	Y124 Q494 D495 W531	Y124-F170 WeakPolarHBondContact OH-CB 3.36Å; Y124-F170 VanDerWaalsContact OH-CD2 3.3Å; Y124-F170 WeakPolarHBondContact OH-CD2 3.38Å; F170-Q494 HydrophobicContact CE1-CB 4.32Å; F170-Q494 VanDerWaalsContact CZ-C 3.47Å; F170-Q494 HydrophobicContact CZ-CB 3.68Å; F170-Q494 WeakPolarHBondContact CZ-O 3.46Å; F170-D495 HydrophobicContact CE2-CB 4.13Å; F170-W531 HydrophobicContact CE2-CH2 4.45Å; F170-W531 HydrophobicContact CE2-CZ3 4.15Å; F170-W531 HydrophobicContact CZ-CZ3 4.09Å
171	G	92.5	Very high	96.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	115.7	-15.4	174.7	0	0	0	0	0	114.2	P161 D169 V174	P161-G171 VanDerWaalsContact CB-O 3.26Å; P161-G171 WeakPolarHBondContact CB-O 3.29Å; D169-G171 VanDerWaalsContact C-N 3.27Å; D169-G171 PolarHBondContact O-N 3.38Å; D169-G171 VanDerWaalsContact O-N 3.08Å; G171-V174 WeakPolarHBondContact O-CG2 3.31Å
172	Y	94.9	Very high	96.2	Very high	8 Å²	8	30.7 Å²	30.7	3%	0.031	15%	0.149	C	C	.	.	S	Bend	trans	-79.6	-21.8	175.5	-70.3	-86.6	0	0	0	112.8	P161 D169 V174 D208 I210 H213 D309 H445	P161-Y172 WeakPolarHBondContact CD-OH 3.36Å; P161-Y172 HydrophobicContact CG-CD1 3.72Å; P161-Y172 HydrophobicContact CG-CD2 3.96Å; P161-Y172 HydrophobicContact CG-CE1 3.45Å; P161-Y172 VanDerWaalsContact CG-CE1 3.45Å; P161-Y172 HydrophobicContact CG-CE2 3.74Å; P161-Y172 HydrophobicContact CG-CG 3.95Å; P161-Y172 VanDerWaalsContact CG-CZ 3.47Å; D169-Y172 WeakPolarHBondContact O-CD2 3.31Å; D169-Y172 PolarHBondContact O-N 2.9Å; Y172-V174 PolarHBondContact O-N 2.72Å; Y172-D208 PolarHBondContact OH-OD2 3.06Å; Y172-I210 HydrophobicContact CD1-CD1 4.32Å; Y172-I210 HydrophobicContact CD1-CG1 3.71Å; Y172-I210 HydrophobicContact CE1-CG1 4.34Å; Y172-H213 PolarHBondContact O-NE2 2.94Å; Y172-D309 HydrophobicContact CE1-CB 4.41Å; Y172-H445 AromaticContact CE2-CD2 3.98Å; Y172-H445 AromaticContact CE2-NE2 3.3Å; Y172-H445 VanDerWaalsContact CE2-NE2 3.3Å; Y172-H445 WeakPolarHBondContact CE2-NE2 3.28Å; Y172-H445 AromaticContact CZ-NE2 3.3Å; Y172-H445 VanDerWaalsContact CZ-NE2 3.3Å; Y172-H445 PolarHBondContact OH-CE1 3.02Å; Y172-H445 VanDerWaalsContact OH-CE1 3.23Å; Y172-H445 PolarHBondContact OH-NE2 3.07Å
173	D	95.6	Very high	96.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-85.7	83	168.9	60.8	-54.1	0	0	0	111.1	S165 P166 M167 K168 D169 Q277	S165-D173 WeakPolarHBondContact CA-O 3.35Å; S165-D173 VanDerWaalsContact CB-O 3.3Å; S165-D173 WeakPolarHBondContact CB-O 3.27Å; S165-D173 VanDerWaalsContact OG-CG 3.25Å; S165-D173 PolarHBondContact OG-O 3.27Å; S165-D173 PolarHBondContact OG-OD1 3.29Å; S165-D173 PolarHBondContact OG-OD2 2.91Å; P166-D173 WeakPolarHBondContact CD-O 3.2Å; P166-D173 VanDerWaalsContact CD-OD2 3.3Å; P166-D173 WeakPolarHBondContact CD-OD2 3.31Å; M167-D173 PolarHBondContact N-OD2 2.88Å; K168-D173 WeakPolarHBondContact CA-OD2 3.49Å; K168-D173 HydrophobicContact CB-CB 4.29Å; K168-D173 WeakPolarHBondContact CB-OD2 3.29Å; K168-D173 VanDerWaalsContact N-CG 3.26Å; K168-D173 PolarHBondContact N-OD1 3.22Å; K168-D173 VanDerWaalsContact N-OD1 3.1Å; K168-D173 PolarHBondContact N-OD2 3.15Å; D169-D173 PolarHBondContact N-OD1 3.05Å; D173-Q277 HydrophobicContact CB-CG 3.9Å
174	V	98.1	Very high	96.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.16	C	C	.	.			trans	-80.9	122.4	-170.2	-175.9	0	0	0	0	113.1	Y163 G171 Y172 F177 I210 S215 H218	Y163-V174 HydrophobicContact CD2-CG2 3.87Å; Y163-V174 HydrophobicContact CG-CG1 4.15Å; Y163-V174 HydrophobicContact CG-CG2 4.24Å; G171-V174 WeakPolarHBondContact O-CG2 3.31Å; Y172-V174 PolarHBondContact O-N 2.72Å; V174-F177 HydrophobicContact CB-CD1 4.18Å; V174-F177 HydrophobicContact CB-CD2 4.34Å; V174-F177 HydrophobicContact CB-CE1 3.82Å; V174-F177 HydrophobicContact CB-CE2 3.98Å; V174-F177 HydrophobicContact CB-CG 4.43Å; V174-F177 HydrophobicContact CB-CZ 3.72Å; V174-F177 HydrophobicContact CG1-CB 4.32Å; V174-F177 HydrophobicContact CG1-CD1 3.69Å; V174-F177 HydrophobicContact CG1-CD2 3.77Å; V174-F177 HydrophobicContact CG1-CE1 3.87Å; V174-F177 HydrophobicContact CG1-CE2 3.94Å; V174-F177 HydrophobicContact CG1-CG 3.64Å; V174-F177 HydrophobicContact CG1-CZ 4Å; V174-F177 HydrophobicContact CG2-CD1 4.24Å; V174-F177 HydrophobicContact CG2-CE1 3.76Å; V174-F177 HydrophobicContact CG2-CZ 4.07Å; V174-I210 HydrophobicContact CG2-CD1 4.15Å; V174-S215 WeakPolarHBondContact O-CB 3.44Å; V174-S215 PolarHBondContact O-N 3.48Å; V174-H218 PolarHBondContact O-CD2 2.97Å
175	E	98.1	Very high	96.1	Very high	45 Å²	45	29.4 Å²	29.4	21%	0.21	16%	0.155	C	C	.	.	S	Bend	trans	-87.8	-31.7	173.5	177	-178.6	132.5	0	0	112.5	R164 P166 R217 H218	R164-E175 HydrophobicContact CG-CB 4.45Å; R164-E175 IonicContact CZ-OE1 3.28Å; R164-E175 IonicContact NE-OE1 3.68Å; R164-E175 PolarHBondContact NE-OE1 2.87Å; R164-E175 IonicContact NH2-OE1 2.7Å; R164-E175 PolarHBondContact NH2-OE1 2.82Å; R164-E175 PolarHBondContact O-N 3.13Å; P166-E175 HydrophobicContact CG-CB 4.39Å; E175-R217 HydrophobicContact CG-CB 4.22Å; E175-H218 PolarHBondContact O-CD2 3.24Å; E175-H218 PolarHBondContact O-NE2 2.79Å
176	D	98.3	Very high	96.2	Very high	62 Å²	62	32.3 Å²	32.3	33%	0.332	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	114.1	172.6	-167.7	-23.2	0	0	0	111	R164 R178 D179	R164-D176 HydrophobicContact CB-CB 4.15Å; R164-D176 PolarHBondContact O-N 3.21Å; D176-R178 VanDerWaalsContact C-N 3.25Å; D176-R178 PolarHBondContact O-N 2.78Å; D176-R178 PolarHBondContact OD1-N 3.33Å; D176-D179 HydrophobicContact CB-CB 4.17Å
177	F	98.3	Very high	96.3	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.009	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	-12.6	-180	-73.4	-85.9	0	0	0	114.4	Y163 V174 I210 T214 H218 L294 W298	Y163-F177 WeakPolarHBondContact CD1-O 2.97Å; V174-F177 HydrophobicContact CB-CD1 4.18Å; V174-F177 HydrophobicContact CB-CD2 4.34Å; V174-F177 HydrophobicContact CB-CE1 3.82Å; V174-F177 HydrophobicContact CB-CE2 3.98Å; V174-F177 HydrophobicContact CB-CG 4.43Å; V174-F177 HydrophobicContact CB-CZ 3.72Å; V174-F177 HydrophobicContact CG1-CB 4.32Å; V174-F177 HydrophobicContact CG1-CD1 3.69Å; V174-F177 HydrophobicContact CG1-CD2 3.77Å; V174-F177 HydrophobicContact CG1-CE1 3.87Å; V174-F177 HydrophobicContact CG1-CE2 3.94Å; V174-F177 HydrophobicContact CG1-CG 3.64Å; V174-F177 HydrophobicContact CG1-CZ 4Å; V174-F177 HydrophobicContact CG2-CD1 4.24Å; V174-F177 HydrophobicContact CG2-CE1 3.76Å; V174-F177 HydrophobicContact CG2-CZ 4.07Å; F177-I210 HydrophobicContact CE1-CB 4.34Å; F177-I210 WeakPolarHBondContact CE1-O 3.3Å; F177-I210 WeakPolarHBondContact CZ-O 3.42Å; F177-T214 HydrophobicContact CE2-CG2 3.74Å; F177-T214 HydrophobicContact CZ-CG2 4.35Å; F177-H218 AromaticContact CD2-NE2 3.9Å; F177-L294 HydrophobicContact CB-CD1 3.58Å; F177-L294 HydrophobicContact CB-CD2 3.55Å; F177-L294 HydrophobicContact CB-CG 4.13Å; F177-L294 HydrophobicContact CD1-CD1 4.26Å; F177-L294 HydrophobicContact CD2-CD1 3.79Å; F177-L294 HydrophobicContact CG-CD1 3.63Å; F177-W298 WeakPolarHBondContact O-CZ2 3.19Å; F177-W298 PolarHBondContact O-NE1 3.26Å
178	R	98.4	Very high	96.6	Very high	106 Å²	106	36.8 Å²	36.8	40%	0.4	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	1.8	-179.1	-63.8	-174.3	179.1	134.5	5.7	113	D176 M187 E290 L294 F297	D176-R178 VanDerWaalsContact C-N 3.25Å; D176-R178 PolarHBondContact O-N 2.78Å; D176-R178 PolarHBondContact OD1-N 3.33Å; R178-M187 WeakPolarHBondContact O-CE 3.36Å; R178-E290 IonicContact NH2-OE2 2.79Å; R178-L294 HydrophobicContact CG-CD2 3.55Å; R178-F297 HydrophobicContact CB-CD1 4.41Å; R178-F297 HydrophobicContact CB-CE1 3.93Å; R178-F297 HydrophobicContact CB-CE2 4.4Å; R178-F297 HydrophobicContact CB-CZ 3.89Å; R178-F297 HydrophobicContact CG-CD1 4.13Å; R178-F297 HydrophobicContact CG-CD2 4.49Å; R178-F297 HydrophobicContact CG-CE1 4.15Å; R178-F297 HydrophobicContact CG-CE2 4.49Å; R178-F297 HydrophobicContact CG-CG 4.29Å; R178-F297 HydrophobicContact CG-CZ 4.31Å; R178-F297 WeakPolarHBondContact O-CZ 3.42Å
179	D	98.2	Very high	96.9	Very high	50 Å²	50	33.7 Å²	33.7	27%	0.267	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	156.3	-177.9	-159.2	14.1	0	0	0	111.7	Y163 R164 D176	Y163-D179 WeakPolarHBondContact CA-O 3.13Å; R164-D179 HydrophobicContact CB-CB 4.22Å; R164-D179 PolarHBondContact N-O 3.36Å; R164-D179 VanDerWaalsContact N-O 3.1Å; R164-D179 IonicContact NH1-OD2 3.5Å; D176-D179 HydrophobicContact CB-CB 4.17Å
180	V	98.5	Very high	97.3	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	140.3	175.8	175	0	0	0	0	108.5	L139 F162 F184 M187 F190	L139-V180 HydrophobicContact CD1-CG1 3.86Å; F162-V180 HydrophobicContact CD2-CG1 4.3Å; F162-V180 HydrophobicContact CD2-CG2 4.13Å; F162-V180 HydrophobicContact CE2-CG2 4.22Å; V180-F184 HydrophobicContact CG1-CB 4.4Å; V180-M187 HydrophobicContact CG2-CE 4.18Å; V180-F190 HydrophobicContact CG2-CB 4.01Å
181	D	98.4	Very high	97.6	Very high	16 Å²	16	37.2 Å²	37.2	9%	0.086	19%	0.192	C	C	.	.			trans	-64.3	133.9	176.5	-158.9	-89.1	0	0	0	111.5	F162 Y163 R164 S165 M167 L183 F184 G185	F162-D181 PolarHBondContact O-N 2.83Å; Y163-D181 WeakPolarHBondContact O-CB 3.47Å; R164-D181 WeakPolarHBondContact CA-OD2 3.29Å; S165-D181 PolarHBondContact N-OD2 3.41Å; S165-D181 VanDerWaalsContact O-OD2 3.09Å; M167-D181 HydrophobicContact CE-CB 3.7Å; M167-D181 WeakPolarHBondContact CE-OD2 3.29Å; D181-L183 PolarHBondContact O-N 2.83Å; D181-L183 WeakPolarHBondContact OD1-CB 3.42Å; D181-L183 PolarHBondContact OD1-N 3.33Å; D181-F184 HydrophobicContact CB-CD2 3.77Å; D181-F184 HydrophobicContact CB-CE2 4.26Å; D181-F184 PolarHBondContact O-N 3.43Å; D181-G185 PolarHBondContact O-N 3.08Å
182	P	97.8	Very high	97.9	Very high	95 Å²	95	40.7 Å²	40.7	62%	0.617	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-23.9	175.7	-27.3	35.8	0	0	0	114.4	F184 G185	P182-F184 PolarHBondContact O-N 3.02Å; P182-G185 WeakPolarHBondContact CA-O 3.46Å
183	L	96.3	Very high	98.1	Very high	43 Å²	43	40.3 Å²	40.3	23%	0.225	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-28	173.9	-172	63.4	0	0	0	113	V136 M167 D181	V136-L183 HydrophobicContact CB-CD1 3.93Å; V136-L183 HydrophobicContact CB-CG 4.3Å; V136-L183 HydrophobicContact CG1-CD1 3.79Å; V136-L183 HydrophobicContact CG1-CD2 3.88Å; V136-L183 HydrophobicContact CG1-CG 3.59Å; V136-L183 HydrophobicContact CG2-CD1 4.02Å; M167-L183 HydrophobicContact CE-CD2 4.17Å; M167-L183 HydrophobicContact CG-CD2 4.44Å; M167-L183 HydrophobicContact SD-CD2 4.36Å; D181-L183 PolarHBondContact O-N 2.83Å; D181-L183 WeakPolarHBondContact OD1-CB 3.42Å; D181-L183 PolarHBondContact OD1-N 3.33Å
184	F	98.3	Very high	98.2	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.018	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-10.6	-178.4	-56.8	-50.9	0	0	0	113.2	P125 R126 V136 G137 L139 F162 M167 V180 D181 P182	P125-F184 HydrophobicContact CB-CD1 4.23Å; P125-F184 HydrophobicContact CB-CE1 4.13Å; P125-F184 HydrophobicContact CG-CE1 4.18Å; P125-F184 HydrophobicContact CG-CZ 4.12Å; R126-F184 HydrophobicContact CB-CE1 4.06Å; R126-F184 HydrophobicContact CB-CZ 4.45Å; R126-F184 HydrophobicContact CG-CE1 4.26Å; V136-F184 HydrophobicContact CG1-CE1 4.24Å; G137-F184 VanDerWaalsContact O-CD1 3.24Å; G137-F184 WeakPolarHBondContact O-CD1 3.25Å; L139-F184 HydrophobicContact CG-CB 4.23Å; L139-F184 WeakPolarHBondContact CG-O 3.48Å; L139-F184 PolarHBondContact N-O 3Å; F162-F184 HydrophobicContact CB-CB 4.44Å; F162-F184 HydrophobicContact CB-CD2 3.61Å; F162-F184 HydrophobicContact CB-CE2 4.14Å; F162-F184 HydrophobicContact CB-CG 4.21Å; M167-F184 HydrophobicContact CE-CD2 4.47Å; M167-F184 HydrophobicContact CE-CE2 3.72Å; M167-F184 HydrophobicContact CE-CZ 4.19Å; V180-F184 HydrophobicContact CG1-CB 4.4Å; D181-F184 HydrophobicContact CB-CD2 3.77Å; D181-F184 HydrophobicContact CB-CE2 4.26Å; D181-F184 PolarHBondContact O-N 3.43Å; P182-F184 PolarHBondContact O-N 3.02Å
185	G	97.8	Very high	98.3	Very high	23 Å²	23	43 Å²	43	24%	0.237	23%	0.228	C	C	.	.			trans	130.7	-132.6	-178.8	0	0	0	0	0	111.7	D181 P182	D181-G185 PolarHBondContact O-N 3.08Å; P182-G185 WeakPolarHBondContact CA-O 3.46Å
186	N	98.3	Very high	98.3	Very high	69 Å²	69	44.1 Å²	44.1	37%	0.369	23%	0.233	S	C	.	.			trans	-149.3	-179.6	178.5	59.8	61.6	0	0	0	110.7	Q188 D189 F190	N186-Q188 VanDerWaalsContact C-N 3.3Å; N186-Q188 PolarHBondContact O-N 2.95Å; N186-Q188 WeakPolarHBondContact OD1-CA 3.34Å; N186-Q188 VanDerWaalsContact OD1-CB 3.24Å; N186-Q188 WeakPolarHBondContact OD1-CB 3.43Å; N186-Q188 PolarHBondContact OD1-N 3.29Å; N186-D189 PolarHBondContact N-OD2 2.88Å; N186-D189 PolarHBondContact ND2-OD2 2.8Å; N186-D189 WeakPolarHBondContact O-CB 3.47Å; N186-D189 PolarHBondContact O-N 3.28Å; N186-D189 VanDerWaalsContact O-N 3.14Å; N186-D189 PolarHBondContact OD1-N 3.47Å; N186-F190 PolarHBondContact O-N 3.45Å; N186-F190 VanDerWaalsContact O-N 3.13Å
187	M	98.4	Very high	98.3	Very high	34 Å²	34	41.2 Å²	41.2	17%	0.167	22%	0.217	C	C	.	.	H	α-helix	trans	-59.9	-34.9	179.8	-171.4	58.5	64.6	0	0	114	R178 V180 F190 E191 F297 W298 K301	R178-M187 WeakPolarHBondContact O-CE 3.36Å; V180-M187 HydrophobicContact CG2-CE 4.18Å; M187-F190 WeakPolarHBondContact O-CB 3.31Å; M187-F190 PolarHBondContact O-N 3.14Å; M187-F190 HydrophobicContact SD-CD1 3.86Å; M187-E191 WeakPolarHBondContact O-CG 3.48Å; M187-E191 PolarHBondContact O-N 2.85Å; M187-F297 HydrophobicContact CE-CE1 4.42Å; M187-F297 HydrophobicContact CE-CZ 4.24Å; M187-W298 HydrophobicContact CE-CH2 3.8Å; M187-W298 HydrophobicContact CE-CZ3 4.33Å; M187-W298 HydrophobicContact SD-CH2 4.37Å; M187-W298 HydrophobicContact SD-CZ3 4.35Å; M187-K301 HydrophobicContact SD-CD 3.9Å; M187-K301 WeakPolarHBondContact SD-CE 3.45Å; M187-K301 PolarHBondContact SD-NZ 3.37Å; M187-K301 VanDerWaalsContact SD-NZ 3.37Å
188	Q	98.5	Very high	98.2	Very high	118 Å²	118	43.7 Å²	43.7	55%	0.551	23%	0.229	S	C	*	.	H	α-helix	trans	-66.1	-41.7	176.1	-179.1	-176	-12	0	0	110.7	N186 F190 E191 E192	N186-Q188 VanDerWaalsContact C-N 3.3Å; N186-Q188 PolarHBondContact O-N 2.95Å; N186-Q188 WeakPolarHBondContact OD1-CA 3.34Å; N186-Q188 VanDerWaalsContact OD1-CB 3.24Å; N186-Q188 WeakPolarHBondContact OD1-CB 3.43Å; N186-Q188 PolarHBondContact OD1-N 3.29Å; Q188-F190 VanDerWaalsContact C-N 3.28Å; Q188-F190 PolarHBondContact O-N 2.87Å; Q188-E191 PolarHBondContact O-N 3.12Å; Q188-E192 HydrophobicContact CG-CG 4.41Å; Q188-E192 PolarHBondContact NE2-OE1 3.38Å; Q188-E192 WeakPolarHBondContact O-CB 3.18Å; Q188-E192 WeakPolarHBondContact O-CG 3.28Å; Q188-E192 PolarHBondContact O-N 3.2Å
189	D	98.6	Very high	98.2	Very high	11 Å²	11	44.8 Å²	44.8	6%	0.059	24%	0.242	C	C	.	.	H	α-helix	trans	-62.4	-37.4	177.5	-62.8	-36.2	0	0	0	111.6	K140 N186 L193	K140-D189 WeakPolarHBondContact CE-OD1 3.42Å; K140-D189 WeakPolarHBondContact CE-OD2 3.31Å; K140-D189 IonicContact NZ-OD1 3Å; K140-D189 PolarHBondContact NZ-OD1 3.02Å; K140-D189 IonicContact NZ-OD2 3.42Å; K140-D189 PolarHBondContact NZ-OD2 3.48Å; N186-D189 PolarHBondContact N-OD2 2.88Å; N186-D189 PolarHBondContact ND2-OD2 2.8Å; N186-D189 WeakPolarHBondContact O-CB 3.47Å; N186-D189 PolarHBondContact O-N 3.28Å; N186-D189 VanDerWaalsContact O-N 3.14Å; N186-D189 PolarHBondContact OD1-N 3.47Å; D189-L193 WeakPolarHBondContact O-CB 3.49Å; D189-L193 PolarHBondContact O-N 3.07Å
190	F	98.8	Very high	97.7	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-63.4	-48.9	171.1	167	-95.2	0	0	0	112.4	L139 F162 V180 N186 M187 Q188 E192 L193 L194 L205 M207 W298 K301 V303	L139-F190 HydrophobicContact CD1-CB 3.86Å; F162-F190 AromaticContact CE2-CD2 3.66Å; F162-F190 HydrophobicContact CE2-CD2 3.66Å; F162-F190 HydrophobicContact CE2-CE2 4.05Å; F162-F190 HydrophobicContact CE2-CG 4.44Å; F162-F190 AromaticContact CZ-CD2 3.64Å; F162-F190 HydrophobicContact CZ-CD2 3.64Å; F162-F190 AromaticContact CZ-CE2 3.65Å; F162-F190 HydrophobicContact CZ-CE2 3.65Å; V180-F190 HydrophobicContact CG2-CB 4.01Å; N186-F190 PolarHBondContact O-N 3.45Å; N186-F190 VanDerWaalsContact O-N 3.13Å; M187-F190 WeakPolarHBondContact O-CB 3.31Å; M187-F190 PolarHBondContact O-N 3.14Å; M187-F190 HydrophobicContact SD-CD1 3.86Å; Q188-F190 VanDerWaalsContact C-N 3.28Å; Q188-F190 PolarHBondContact O-N 2.87Å; F190-E192 VanDerWaalsContact C-N 3.31Å; F190-E192 PolarHBondContact O-N 3.07Å; F190-L193 PolarHBondContact O-N 2.84Å; F190-L194 HydrophobicContact CE1-CD2 4.06Å; F190-L194 HydrophobicContact CZ-CB 4.47Å; F190-L194 HydrophobicContact CZ-CD2 3.91Å; F190-L194 WeakPolarHBondContact O-CB 3.47Å; F190-L194 PolarHBondContact O-N 2.85Å; F190-L205 HydrophobicContact CE2-CD2 3.68Å; F190-L205 HydrophobicContact CZ-CD2 4.3Å; F190-M207 HydrophobicContact CE2-SD 4.03Å; F190-M207 HydrophobicContact CZ-SD 4.19Å; F190-W298 AromaticContact CD1-CZ3 3.9Å; F190-W298 HydrophobicContact CD1-CZ3 3.9Å; F190-W298 HydrophobicContact CD2-CZ3 4.3Å; F190-W298 AromaticContact CE1-CE3 3.98Å; F190-W298 HydrophobicContact CE1-CE3 3.98Å; F190-W298 AromaticContact CE1-CZ3 3.56Å; F190-W298 HydrophobicContact CE1-CZ3 3.56Å; F190-W298 HydrophobicContact CE2-CE3 4.42Å; F190-W298 AromaticContact CE2-CZ3 3.96Å; F190-W298 HydrophobicContact CE2-CZ3 3.96Å; F190-W298 HydrophobicContact CG-CZ3 4.27Å; F190-W298 AromaticContact CZ-CE3 3.79Å; F190-W298 HydrophobicContact CZ-CE3 3.79Å; F190-W298 AromaticContact CZ-CZ3 3.58Å; F190-W298 HydrophobicContact CZ-CZ3 3.58Å; F190-K301 HydrophobicContact CD1-CD 4.46Å; F190-K301 HydrophobicContact CE1-CB 4.17Å; F190-K301 HydrophobicContact CE1-CD 3.94Å; F190-V303 HydrophobicContact CZ-CG2 3.84Å
191	E	98.7	Very high	96.8	Very high	92 Å²	92	47.5 Å²	47.5	43%	0.43	27%	0.265	S	S	.	.	H	α-helix	trans	-62.4	-39.4	-179.5	-73.4	171.2	177.4	0	0	111.5	M187 Q188 A195 K301	M187-E191 WeakPolarHBondContact O-CG 3.48Å; M187-E191 PolarHBondContact O-N 2.85Å; Q188-E191 PolarHBondContact O-N 3.12Å; E191-A195 VanDerWaalsContact O-CB 3.27Å; E191-A195 WeakPolarHBondContact O-CB 3.27Å; E191-A195 PolarHBondContact O-N 3.4Å; E191-K301 IonicContact OE1-NZ 3.19Å; E191-K301 PolarHBondContact OE1-NZ 2.93Å
192	E	98.4	Very high	96.6	Very high	73 Å²	73	48.2 Å²	48.2	34%	0.341	28%	0.277	S	S	.	.	H	α-helix	trans	-65.4	-43.1	173.2	-73.1	-179.9	-166.8	0	0	112.4	K143 Q188 F190 E196	K143-E192 IonicContact NZ-OE2 3.34Å; K143-E192 PolarHBondContact NZ-OE2 3.04Å; Q188-E192 HydrophobicContact CG-CG 4.41Å; Q188-E192 PolarHBondContact NE2-OE1 3.38Å; Q188-E192 WeakPolarHBondContact O-CB 3.18Å; Q188-E192 WeakPolarHBondContact O-CG 3.28Å; Q188-E192 PolarHBondContact O-N 3.2Å; F190-E192 VanDerWaalsContact C-N 3.31Å; F190-E192 PolarHBondContact O-N 3.07Å; E192-E196 VanDerWaalsContact O-CB 3.31Å; E192-E196 WeakPolarHBondContact O-CB 3.34Å; E192-E196 PolarHBondContact O-N 2.78Å
193	L	98.6	Very high	96.6	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-60.9	-49.3	175.4	171.5	63	0	0	0	110.8	L139 I142 K143 L146 I159 D189 F190 E196 M197	L139-L193 HydrophobicContact CB-CD2 4.21Å; L139-L193 HydrophobicContact CD2-CD2 4.01Å; I142-L193 HydrophobicContact CB-CD1 4.41Å; I142-L193 HydrophobicContact CB-CD2 4.39Å; I142-L193 HydrophobicContact CG2-CD1 4.03Å; I142-L193 HydrophobicContact CG2-CD2 4.27Å; K143-L193 HydrophobicContact CB-CD1 3.88Å; K143-L193 HydrophobicContact CG-CD1 4.43Å; L146-L193 HydrophobicContact CD1-CD1 4.45Å; L146-L193 HydrophobicContact CD2-CD1 4.08Å; I159-L193 HydrophobicContact CD1-CD2 4.1Å; D189-L193 WeakPolarHBondContact O-CB 3.49Å; D189-L193 PolarHBondContact O-N 3.07Å; F190-L193 PolarHBondContact O-N 2.84Å; L193-E196 PolarHBondContact O-N 3.07Å; L193-M197 HydrophobicContact CD1-CG 3.97Å; L193-M197 HydrophobicContact CD1-SD 3.93Å; L193-M197 HydrophobicContact CG-CG 4.39Å; L193-M197 HydrophobicContact CG-SD 3.93Å; L193-M197 WeakPolarHBondContact O-CB 3.15Å; L193-M197 VanDerWaalsContact O-CG 3.24Å; L193-M197 WeakPolarHBondContact O-CG 3.43Å; L193-M197 PolarHBondContact O-N 2.86Å
194	L	98.6	Very high	96.7	Very high	8 Å²	8	43.2 Å²	43.2	4%	0.042	24%	0.243	C	C	.	.	H	α-helix	trans	-62.3	-45.4	-178.7	-177.5	62.2	0	0	0	111.6	F190 M197 H198 L205 K301	F190-L194 HydrophobicContact CE1-CD2 4.06Å; F190-L194 HydrophobicContact CZ-CB 4.47Å; F190-L194 HydrophobicContact CZ-CD2 3.91Å; F190-L194 WeakPolarHBondContact O-CB 3.47Å; F190-L194 PolarHBondContact O-N 2.85Å; L194-M197 PolarHBondContact O-N 3.27Å; L194-H198 WeakPolarHBondContact CD1-NE2 3.5Å; L194-H198 PolarHBondContact O-N 3.2Å; L194-L205 HydrophobicContact CD1-CB 3.9Å; L194-L205 HydrophobicContact CD1-CD2 3.92Å; L194-K301 VanDerWaalsContact CD2-O 3.3Å; L194-K301 WeakPolarHBondContact CD2-O 3.45Å
195	A	98.4	Very high	96.7	Very high	48 Å²	48	43 Å²	43	40%	0.397	24%	0.242	S	C	.	.	H	α-helix	trans	-60.9	-45.5	176.2	0	0	0	0	0	111.5	E191 H198 N199	E191-A195 VanDerWaalsContact O-CB 3.27Å; E191-A195 WeakPolarHBondContact O-CB 3.27Å; E191-A195 PolarHBondContact O-N 3.4Å; A195-H198 PolarHBondContact O-N 3.35Å; A195-N199 WeakPolarHBondContact O-CB 3.23Å; A195-N199 PolarHBondContact O-N 2.83Å; A195-N199 PolarHBondContact O-ND2 2.89Å; A195-N199 VanDerWaalsContact O-ND2 3.16Å
196	E	98.1	Very high	96.7	Very high	69 Å²	69	42 Å²	42	32%	0.322	23%	0.231	S	C	.	.	H	α-helix	trans	-66.9	-38.5	178.9	-168.5	66.1	-171.2	0	0	111.8	K143 L146 E192 L193 H198 N199 K200	K143-E196 HydrophobicContact CD-CB 4.42Å; K143-E196 HydrophobicContact CG-CB 4.36Å; K143-E196 HydrophobicContact CG-CG 4.35Å; L146-E196 HydrophobicContact CD1-CB 3.92Å; L146-E196 HydrophobicContact CD1-CG 3.55Å; E192-E196 VanDerWaalsContact O-CB 3.31Å; E192-E196 WeakPolarHBondContact O-CB 3.34Å; E192-E196 PolarHBondContact O-N 2.78Å; L193-E196 PolarHBondContact O-N 3.07Å; E196-H198 PolarHBondContact O-N 3.48Å; E196-N199 PolarHBondContact O-N 3.5Å; E196-K200 HydrophobicContact CG-CD 4.04Å; E196-K200 HydrophobicContact CG-CG 4.1Å; E196-K200 VanDerWaalsContact O-CB 3.23Å; E196-K200 WeakPolarHBondContact O-CB 3.3Å; E196-K200 PolarHBondContact O-N 2.77Å; E196-K200 WeakPolarHBondContact OE1-CD 3.3Å; E196-K200 WeakPolarHBondContact OE1-CE 3.5Å; E196-K200 VanDerWaalsContact OE1-CG 3.32Å; E196-K200 WeakPolarHBondContact OE1-CG 3.1Å
197	M	98.1	Very high	96.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.2	-47.4	173.2	-78.4	179.1	74	0	0	111.6	L146 V157 L193 L194 L203 L205	L146-M197 HydrophobicContact CD1-CG 4.07Å; L146-M197 HydrophobicContact CD2-CG 3.55Å; L146-M197 HydrophobicContact CD2-SD 4.44Å; L146-M197 HydrophobicContact CG-CG 4.47Å; V157-M197 HydrophobicContact CB-CE 3.75Å; V157-M197 HydrophobicContact CG1-CE 4.4Å; V157-M197 HydrophobicContact CG2-CE 4Å; L193-M197 HydrophobicContact CD1-CG 3.97Å; L193-M197 HydrophobicContact CD1-SD 3.93Å; L193-M197 HydrophobicContact CG-CG 4.39Å; L193-M197 HydrophobicContact CG-SD 3.93Å; L193-M197 WeakPolarHBondContact O-CB 3.15Å; L193-M197 VanDerWaalsContact O-CG 3.24Å; L193-M197 WeakPolarHBondContact O-CG 3.43Å; L193-M197 PolarHBondContact O-N 2.86Å; L194-M197 PolarHBondContact O-N 3.27Å; M197-L203 HydrophobicContact CB-CB 4Å; M197-L203 HydrophobicContact CB-CD1 4.43Å; M197-L203 HydrophobicContact CE-CB 4.18Å; M197-L203 HydrophobicContact CG-CB 4.46Å; M197-L203 HydrophobicContact CG-CD1 4.23Å; M197-L203 VanDerWaalsContact O-CB 3.28Å; M197-L203 WeakPolarHBondContact O-CB 3.2Å; M197-L203 PolarHBondContact O-N 3.18Å; M197-L205 HydrophobicContact CE-CB 3.94Å; M197-L205 HydrophobicContact CE-CD1 4.14Å; M197-L205 HydrophobicContact SD-CB 4.37Å; M197-L205 HydrophobicContact SD-CD1 4.38Å
198	H	97.8	Very high	96.7	Very high	55 Å²	55	37.2 Å²	37.2	26%	0.255	21%	0.206	S	C	.	.	H	α-helix	trans	-66.9	-38.3	178.6	-70	178.2	0	0	0	112	L194 A195 E196 G202 L203 G302 D304	L194-H198 WeakPolarHBondContact CD1-NE2 3.5Å; L194-H198 PolarHBondContact O-N 3.2Å; A195-H198 PolarHBondContact O-N 3.35Å; E196-H198 PolarHBondContact O-N 3.48Å; H198-G202 WeakPolarHBondContact O-CA 3.27Å; H198-G202 PolarHBondContact O-N 3.47Å; H198-L203 PolarHBondContact CD2-O 3.24Å; H198-L203 VanDerWaalsContact CD2-O 3.24Å; H198-G302 PolarHBondContact CE1-O 3.46Å; H198-D304 IonicContact CD2-OD2 3.82Å; H198-D304 IonicContact CE1-OD2 2.7Å; H198-D304 IonicContact NE2-OD1 3.97Å; H198-D304 IonicContact NE2-OD2 3.5Å; H198-D304 PolarHBondContact NE2-OD2 3.26Å
199	N	96.7	Very high	96.7	Very high	128 Å²	128	31.6 Å²	31.6	68%	0.684	18%	0.18	S	C	*	.	H	α-helix	trans	-71.6	-42	178.5	-70.6	-25.6	0	0	0	112.7	A195 E196 G201	A195-N199 WeakPolarHBondContact O-CB 3.23Å; A195-N199 PolarHBondContact O-N 2.83Å; A195-N199 PolarHBondContact O-ND2 2.89Å; A195-N199 VanDerWaalsContact O-ND2 3.16Å; E196-N199 PolarHBondContact O-N 3.5Å; N199-G201 PolarHBondContact O-N 3.27Å; N199-G201 VanDerWaalsContact O-N 3.17Å
200	K	87.8	Confident	96.7	Very high	62 Å²	62	31 Å²	31	27%	0.27	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	91	-179.7	-76	-164.1	174	-136.8	0	111	L146 D147 L150 E196 G202 L203	L146-K200 HydrophobicContact CB-CD 4.11Å; L146-K200 HydrophobicContact CD1-CD 4.23Å; D147-K200 IonicContact OD1-NZ 3Å; D147-K200 PolarHBondContact OD1-NZ 3.4Å; D147-K200 IonicContact OD2-NZ 2.7Å; D147-K200 PolarHBondContact OD2-NZ 3.09Å; L150-K200 HydrophobicContact CD1-CB 4.42Å; E196-K200 HydrophobicContact CG-CD 4.04Å; E196-K200 HydrophobicContact CG-CG 4.1Å; E196-K200 VanDerWaalsContact O-CB 3.23Å; E196-K200 WeakPolarHBondContact O-CB 3.3Å; E196-K200 PolarHBondContact O-N 2.77Å; E196-K200 WeakPolarHBondContact OE1-CD 3.3Å; E196-K200 WeakPolarHBondContact OE1-CE 3.5Å; E196-K200 VanDerWaalsContact OE1-CG 3.32Å; E196-K200 WeakPolarHBondContact OE1-CG 3.1Å; K200-G202 PolarHBondContact O-N 2.9Å; K200-L203 WeakPolarHBondContact O-CG 3.47Å
201	G	79.7	Confident	96.6	Very high	48 Å²	48	31 Å²	31	50%	0.495	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	7.1	170.4	0	0	0	0	0	115.1	N199	N199-G201 PolarHBondContact O-N 3.27Å; N199-G201 VanDerWaalsContact O-N 3.17Å
202	G	94.3	Very high	96.6	Very high	31 Å²	31	26.7 Å²	26.7	32%	0.32	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	42.9	179.9	0	0	0	0	0	112.8	H198 K200	H198-G202 WeakPolarHBondContact O-CA 3.27Å; H198-G202 PolarHBondContact O-N 3.47Å; K200-G202 PolarHBondContact O-N 2.9Å
203	L	97.9	Very high	96.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.141	C	C	.	.			trans	-60.2	157.4	171.4	-59.1	174.2	0	0	0	109.9	L146 F149 L150 I154 K155 M197 H198 K200	L146-L203 HydrophobicContact CB-CD1 4.35Å; L146-L203 HydrophobicContact CD2-CD1 3.87Å; F149-L203 HydrophobicContact CB-CD2 4.18Å; F149-L203 HydrophobicContact CD2-CD1 4.21Å; L150-L203 HydrophobicContact CD2-CD2 3.89Å; L150-L203 HydrophobicContact CD2-CG 4.35Å; I154-L203 WeakPolarHBondContact O-CD2 3.4Å; K155-L203 CarbonylContact O-C 3.57Å; K155-L203 WeakPolarHBondContact O-CA 3.41Å; M197-L203 HydrophobicContact CB-CB 4Å; M197-L203 HydrophobicContact CB-CD1 4.43Å; M197-L203 HydrophobicContact CE-CB 4.18Å; M197-L203 HydrophobicContact CG-CB 4.46Å; M197-L203 HydrophobicContact CG-CD1 4.23Å; M197-L203 VanDerWaalsContact O-CB 3.28Å; M197-L203 WeakPolarHBondContact O-CB 3.2Å; M197-L203 PolarHBondContact O-N 3.18Å; H198-L203 PolarHBondContact CD2-O 3.24Å; H198-L203 VanDerWaalsContact CD2-O 3.24Å; K200-L203 WeakPolarHBondContact O-CG 3.47Å
204	K	98.3	Very high	96.6	Very high	32 Å²	32	23.2 Å²	23.2	14%	0.139	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	129.2	-176.1	-62.6	-66.9	176	-167.8	0	108.7	W114 K155 V157 D304	W114-K204 HydrophobicContact CD2-CB 4.24Å; W114-K204 HydrophobicContact CD2-CD 4.28Å; W114-K204 HydrophobicContact CD2-CG 3.75Å; W114-K204 HydrophobicContact CE3-CB 3.8Å; W114-K204 HydrophobicContact CE3-CG 3.69Å; W114-K204 HydrophobicContact CG-CG 4.2Å; W114-K204 HydrophobicContact CH2-CB 3.97Å; W114-K204 HydrophobicContact CZ2-CB 4.37Å; W114-K204 HydrophobicContact CZ3-CB 3.68Å; W114-K204 HydrophobicContact CZ3-CG 4.11Å; K155-K204 WeakPolarHBondContact O-CB 3.3Å; K155-K204 PolarHBondContact O-N 2.9Å; V157-K204 PolarHBondContact N-O 2.88Å; K204-D304 WeakPolarHBondContact CA-OD2 3.43Å; K204-D304 HydrophobicContact CB-CB 4.03Å; K204-D304 HydrophobicContact CD-CB 3.85Å; K204-D304 WeakPolarHBondContact CD-OD1 3.43Å; K204-D304 IonicContact NZ-OD1 2.74Å; K204-D304 PolarHBondContact NZ-OD1 2.85Å
205	L	98.6	Very high	96.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	120.8	179.3	179.5	62	0	0	0	110.2	V157 I159 F190 L194 M197 M207 D304 G305	V157-L205 WeakPolarHBondContact O-CA 3.37Å; I159-L205 HydrophobicContact CB-CD1 4.24Å; I159-L205 HydrophobicContact CD1-CD1 3.44Å; I159-L205 VanDerWaalsContact CD1-CD1 3.44Å; I159-L205 HydrophobicContact CG1-CD1 3.55Å; F190-L205 HydrophobicContact CE2-CD2 3.68Å; F190-L205 HydrophobicContact CZ-CD2 4.3Å; L194-L205 HydrophobicContact CD1-CB 3.9Å; L194-L205 HydrophobicContact CD1-CD2 3.92Å; M197-L205 HydrophobicContact CE-CB 3.94Å; M197-L205 HydrophobicContact CE-CD1 4.14Å; M197-L205 HydrophobicContact SD-CB 4.37Å; M197-L205 HydrophobicContact SD-CD1 4.38Å; L205-M207 HydrophobicContact CD2-CG 4.17Å; L205-M207 HydrophobicContact CG-CG 4.22Å; L205-D304 PolarHBondContact N-OD2 3.19Å; L205-D304 WeakPolarHBondContact O-CA 2.95Å; L205-D304 WeakPolarHBondContact O-CB 3.14Å; L205-D304 PolarHBondContact O-N 2.82Å; L205-G305 PolarHBondContact O-N 2.98Å
206	I	98.8	Very high	96.6	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.01	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	122.7	166.6	-58.2	165.8	0	0	0	106.8	W114 V120 A156 V157 W158 I159 G305 F375	W114-I206 HydrophobicContact CH2-CD1 4.07Å; W114-I206 HydrophobicContact CH2-CG1 4Å; W114-I206 HydrophobicContact CZ3-CD1 4.32Å; V120-I206 HydrophobicContact CG1-CD1 4.21Å; V120-I206 HydrophobicContact CG2-CD1 4.17Å; A156-I206 HydrophobicContact CB-CD1 4.44Å; V157-I206 PolarHBondContact O-N 2.93Å; W158-I206 VanDerWaalsContact CA-O 3.29Å; W158-I206 WeakPolarHBondContact CA-O 3.45Å; W158-I206 HydrophobicContact CB-CB 4.08Å; W158-I206 HydrophobicContact CB-CG2 4.38Å; W158-I206 HydrophobicContact CG-CG2 4.5Å; I159-I206 PolarHBondContact N-O 2.89Å; I206-G305 WeakPolarHBondContact CA-O 3.36Å; I206-F375 HydrophobicContact CD1-CD1 3.67Å; I206-F375 HydrophobicContact CD1-CE1 3.91Å; I206-F375 HydrophobicContact CG1-CD1 4.08Å
207	M	98.3	Very high	96.6	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	147.2	174.8	-75.4	-176.8	57.9	0	0	110.6	F162 Y163 F190 L205 W298 V303 G305 F306 R307	F162-M207 HydrophobicContact CE1-CE 4.06Å; F162-M207 HydrophobicContact CE1-CG 4.12Å; F162-M207 HydrophobicContact CE1-SD 4.41Å; F162-M207 HydrophobicContact CE2-CE 3.95Å; F162-M207 HydrophobicContact CZ-CE 3.4Å; F162-M207 VanDerWaalsContact CZ-CE 3.4Å; F162-M207 HydrophobicContact CZ-CG 4.04Å; F162-M207 HydrophobicContact CZ-SD 3.74Å; Y163-M207 HydrophobicContact CE1-CE 3.72Å; Y163-M207 WeakPolarHBondContact OH-CE 3.39Å; F190-M207 HydrophobicContact CE2-SD 4.03Å; F190-M207 HydrophobicContact CZ-SD 4.19Å; L205-M207 HydrophobicContact CD2-CG 4.17Å; L205-M207 HydrophobicContact CG-CG 4.22Å; M207-W298 HydrophobicContact CE-CD2 3.59Å; M207-W298 HydrophobicContact CE-CE3 3.68Å; M207-W298 HydrophobicContact CE-CG 4.14Å; M207-W298 HydrophobicContact CE-CH2 4.08Å; M207-W298 HydrophobicContact CE-CZ2 4.02Å; M207-W298 HydrophobicContact CE-CZ3 3.93Å; M207-W298 HydrophobicContact SD-CD2 3.91Å; M207-W298 HydrophobicContact SD-CE3 3.61Å; M207-W298 HydrophobicContact SD-CG 4.3Å; M207-W298 HydrophobicContact SD-CZ3 4.12Å; M207-V303 HydrophobicContact CB-CG1 4.13Å; M207-V303 HydrophobicContact CG-CG1 3.83Å; M207-V303 HydrophobicContact CG-CG2 4.16Å; M207-V303 HydrophobicContact SD-CB 4.29Å; M207-V303 HydrophobicContact SD-CG1 3.97Å; M207-V303 HydrophobicContact SD-CG2 3.32Å; M207-V303 WeakPolarHBondContact SD-CG2 3.36Å; M207-G305 PolarHBondContact N-O 2.94Å; M207-F306 HydrophobicContact CB-CD1 3.92Å; M207-F306 HydrophobicContact CB-CE1 4.06Å; M207-F306 CarbonylContact O-C 3.54Å; M207-F306 WeakPolarHBondContact O-CA 3.37Å; M207-R307 PolarHBondContact O-N 3.32Å
208	D	97.7	Very high	96.6	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	140.4	162.1	-120.1	-42.9	0	0	0	111.2	W158 I159 P161 Y163 Y172 R307	W158-D208 WeakPolarHBondContact CZ2-OD2 3.18Å; W158-D208 PolarHBondContact NE1-OD2 3.21Å; I159-D208 PolarHBondContact O-N 3.03Å; P161-D208 HydrophobicContact CG-CB 3.78Å; Y163-D208 WeakPolarHBondContact CE2-O 3.38Å; Y163-D208 VanDerWaalsContact CZ-O 3.3Å; Y163-D208 PolarHBondContact OH-O 2.95Å; Y172-D208 PolarHBondContact OH-OD2 3.06Å; D208-R307 VanDerWaalsContact CG-NH1 3.3Å; D208-R307 WeakPolarHBondContact OD1-CD 3.36Å; D208-R307 WeakPolarHBondContact OD1-CG 3.36Å; D208-R307 IonicContact OD1-CZ 2.76Å; D208-R307 IonicContact OD1-NE 3.09Å; D208-R307 IonicContact OD1-NH1 3.56Å; D208-R307 PolarHBondContact OD1-NH1 3.39Å; D208-R307 IonicContact OD2-NH1 3.97Å; D208-R307 PolarHBondContact OD2-NH1 2.94Å
209	F	98.3	Very high	96.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	128.8	177.8	-170.7	-103.4	0	0	0	109.9	P211 I291 L294 I295 F306 R307 M308 D309	F209-P211 HydrophobicContact CD1-CB 4.22Å; F209-P211 HydrophobicContact CD1-CG 4.49Å; F209-P211 HydrophobicContact CE1-CB 3.95Å; F209-P211 WeakPolarHBondContact O-CD 3.41Å; F209-I291 HydrophobicContact CE1-CG2 3.71Å; F209-I291 HydrophobicContact CZ-CD1 4.42Å; F209-I291 HydrophobicContact CZ-CG2 3.87Å; F209-L294 HydrophobicContact CE2-CB 4.03Å; F209-L294 HydrophobicContact CZ-CB 4.16Å; F209-I295 HydrophobicContact CD1-CG1 4.37Å; F209-I295 HydrophobicContact CE1-CD1 4.05Å; F209-I295 HydrophobicContact CE1-CG1 3.85Å; F209-I295 HydrophobicContact CE2-CG1 4.19Å; F209-I295 HydrophobicContact CZ-CD1 4.37Å; F209-I295 HydrophobicContact CZ-CG1 3.75Å; F209-F306 HydrophobicContact CB-CB 4.2Å; F209-F306 HydrophobicContact CB-CD1 3.94Å; F209-F306 HydrophobicContact CB-CG 4.31Å; F209-F306 HydrophobicContact CG-CD1 4.5Å; F209-R307 PolarHBondContact N-O 3.49Å; F209-M308 HydrophobicContact CB-SD 3.99Å; F209-M308 HydrophobicContact CD1-CE 4.5Å; F209-M308 HydrophobicContact CD1-SD 3.58Å; F209-M308 VanDerWaalsContact CD1-SD 3.58Å; F209-M308 HydrophobicContact CG-SD 4.16Å; F209-D309 WeakPolarHBondContact O-CB 3.04Å; F209-D309 PolarHBondContact O-N 3.5Å
210	I	98.1	Very high	96.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.			trans	-112	86.4	-172.2	-53.7	80	0	0	0	108.5	P161 Y163 Y172 V174 F177 N212 D309	P161-I210 HydrophobicContact CB-CD1 4.25Å; P161-I210 HydrophobicContact CG-CD1 3.9Å; Y163-I210 HydrophobicContact CD2-CD1 4.01Å; Y163-I210 HydrophobicContact CE2-CD1 3.71Å; Y172-I210 HydrophobicContact CD1-CD1 4.32Å; Y172-I210 HydrophobicContact CD1-CG1 3.71Å; Y172-I210 HydrophobicContact CE1-CG1 4.34Å; V174-I210 HydrophobicContact CG2-CD1 4.15Å; F177-I210 HydrophobicContact CE1-CB 4.34Å; F177-I210 WeakPolarHBondContact CE1-O 3.3Å; F177-I210 WeakPolarHBondContact CZ-O 3.42Å; I210-N212 VanDerWaalsContact C-N 3.35Å; I210-D309 HydrophobicContact CG1-CB 4.37Å
211	P	97.4	Very high	97.2	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.			trans	-78.2	-17.8	-176.1	30.9	-36.3	0	0	0	113.8	F209 I291 M314 F359	F209-P211 HydrophobicContact CD1-CB 4.22Å; F209-P211 HydrophobicContact CD1-CG 4.49Å; F209-P211 HydrophobicContact CE1-CB 3.95Å; F209-P211 WeakPolarHBondContact O-CD 3.41Å; P211-I291 HydrophobicContact CB-CG2 4.48Å; P211-M314 HydrophobicContact CB-CE 4.16Å; P211-M314 HydrophobicContact CB-SD 4.27Å; P211-M314 HydrophobicContact CG-CE 4.33Å; P211-M314 HydrophobicContact CG-CG 4.24Å; P211-M314 HydrophobicContact CG-SD 3.78Å; P211-F359 HydrophobicContact CB-CE2 4.3Å
212	N	98.4	Very high	98.1	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	11%	0.108	C	C	.	.	S	Bend	trans	-76.3	-44.9	-168.4	-178.5	90.3	0	0	0	113.7	I210 D279 L280 H313 M314	I210-N212 VanDerWaalsContact C-N 3.35Å; N212-D279 PolarHBondContact ND2-OD1 2.76Å; N212-L280 WeakPolarHBondContact O-CB 3.4Å; N212-L280 PolarHBondContact O-N 3.07Å; N212-H313 WeakPolarHBondContact OD1-CB 3.47Å; N212-H313 PolarHBondContact OD1-O 3.14Å; N212-M314 HydrophobicContact CB-CG 4.49Å; N212-M314 WeakPolarHBondContact OD1-CA 3.25Å; N212-M314 PolarHBondContact OD1-N 3.35Å
213	H	98.6	Very high	98.3	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-144.3	166.3	-168.7	53.7	-107.1	0	0	0	111.7	Y172 F273 Q277 P278	Y172-H213 PolarHBondContact O-NE2 2.94Å; H213-F273 AromaticContact CE1-CD2 3.38Å; H213-F273 WeakPolarHBondContact CE1-CD2 3.42Å; H213-F273 AromaticContact CE1-CE2 3.63Å; H213-F273 AromaticContact ND1-CD2 3.39Å; H213-F273 WeakPolarHBondContact ND1-CD2 3.08Å; H213-F273 AromaticContact ND1-CE2 3.68Å; H213-Q277 HydrophobicContact CB-CB 4.39Å; H213-Q277 PolarHBondContact NE2-NE2 3.05Å; H213-P278 WeakPolarHBondContact CB-O 3.41Å
214	T	98.8	Very high	98.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	10%	0.103	C	C	.	.			trans	-122.1	176.4	168.6	78.2	0	0	0	0	109.4	F177 H218 W220 Y235 Q277 P278 L280	F177-T214 HydrophobicContact CE2-CG2 3.74Å; F177-T214 HydrophobicContact CZ-CG2 4.35Å; T214-H218 VanDerWaalsContact OG1-CB 3.3Å; T214-H218 WeakPolarHBondContact OG1-CB 3.36Å; T214-W220 HydrophobicContact CG2-CE3 3.93Å; T214-W220 HydrophobicContact CG2-CZ3 4.15Å; T214-Y235 HydrophobicContact CG2-CE1 4.46Å; T214-Y235 WeakPolarHBondContact OG1-CE1 3.43Å; T214-Y235 PolarHBondContact OG1-OH 3.47Å; T214-Q277 CarbonylContact O-C 3.51Å; T214-Q277 WeakPolarHBondContact O-CA 3.48Å; T214-P278 PolarHBondContact N-O 2.91Å; T214-P278 WeakPolarHBondContact O-CD 3.4Å; T214-L280 HydrophobicContact CG2-CD1 3.89Å; T214-L280 HydrophobicContact CG2-CD2 3.86Å; T214-L280 HydrophobicContact CG2-CG 3.94Å
215	S	98.4	Very high	98.4	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.105	C	C	.	.			trans	-67.5	150.5	163.9	173.3	0	0	0	0	111.8	P166 V174 R217 H218 E276	P166-S215 WeakPolarHBondContact CG-OG 3.48Å; V174-S215 WeakPolarHBondContact O-CB 3.44Å; V174-S215 PolarHBondContact O-N 3.48Å; S215-R217 PolarHBondContact O-N 3.2Å; S215-R217 PolarHBondContact OG-N 3.42Å; S215-H218 WeakPolarHBondContact O-CB 3.29Å; S215-H218 PolarHBondContact O-N 3.19Å; S215-E276 CarbonylContact C-O 3.27Å; S215-E276 WeakPolarHBondContact CA-O 3.48Å
216	D	98.1	Very high	98.4	Very high	37 Å²	37	29 Å²	29	20%	0.198	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-12.9	165.1	72.2	-23.7	0	0	0	113.8	F221 R225 E276 P278	D216-F221 HydrophobicContact CB-CD1 4.06Å; D216-F221 HydrophobicContact CB-CE1 4.07Å; D216-F221 VanDerWaalsContact O-CD1 3.3Å; D216-F221 WeakPolarHBondContact O-CD1 2.98Å; D216-R225 PolarHBondContact O-NH2 3.37Å; D216-E276 PolarHBondContact N-O 3.5Å; D216-P278 HydrophobicContact CB-CG 4.35Å
217	R	98.1	Very high	98.3	Very high	139 Å²	139	35.1 Å²	35.1	53%	0.525	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-10.3	171.3	-58.8	-164.6	-174.6	169.6	-1.3	113.5	P166 E175 S215 N222	P166-R217 HydrophobicContact CG-CB 4.21Å; P166-R217 HydrophobicContact CG-CG 4.07Å; E175-R217 HydrophobicContact CG-CB 4.22Å; S215-R217 PolarHBondContact O-N 3.2Å; S215-R217 PolarHBondContact OG-N 3.42Å; R217-N222 PolarHBondContact O-ND2 2.7Å
218	H	98.6	Very high	98.3	Very high	11 Å²	11	37.6 Å²	37.6	5%	0.051	17%	0.166	C	C	.	.	S	Bend	trans	-57.3	143	179.4	-162.8	-83.8	0	0	0	110.6	V174 E175 F177 T214 S215 W220 F221 N222	V174-H218 PolarHBondContact O-CD2 2.97Å; E175-H218 PolarHBondContact O-CD2 3.24Å; E175-H218 PolarHBondContact O-NE2 2.79Å; F177-H218 AromaticContact CD2-NE2 3.9Å; T214-H218 VanDerWaalsContact OG1-CB 3.3Å; T214-H218 WeakPolarHBondContact OG1-CB 3.36Å; S215-H218 WeakPolarHBondContact O-CB 3.29Å; S215-H218 PolarHBondContact O-N 3.19Å; H218-W220 AromaticContact CE1-CD1 3.73Å; H218-W220 AromaticContact CE1-CD2 3.16Å; H218-W220 AromaticContact CE1-CE2 3.48Å; H218-W220 VanDerWaalsContact CE1-CE2 3.48Å; H218-W220 AromaticContact CE1-CE3 3.55Å; H218-W220 AromaticContact CE1-CG 3.37Å; H218-W220 AromaticContact CE1-NE1 3.79Å; H218-W220 WeakPolarHBondContact ND1-CB 3.22Å; H218-W220 AromaticContact ND1-CD1 3.88Å; H218-W220 AromaticContact ND1-CD2 3.45Å; H218-W220 AromaticContact ND1-CE3 3.78Å; H218-W220 AromaticContact ND1-CG 3.25Å; H218-W220 PolarHBondContact ND1-N 3.23Å; H218-W220 VanDerWaalsContact ND1-N 3.14Å; H218-W220 PolarHBondContact O-N 3.23Å; H218-F221 PolarHBondContact O-N 3.22Å; H218-F221 VanDerWaalsContact O-N 3.14Å; H218-N222 PolarHBondContact O-N 3.28Å; H218-N222 VanDerWaalsContact O-N 3.17Å; H218-N222 PolarHBondContact O-ND2 2.62Å; H218-N222 VanDerWaalsContact O-ND2 3.15Å
219	R	98.2	Very high	98.3	Very high	163 Å²	163	42.8 Å²	42.8	62%	0.615	20%	0.2	S	C	*	.	H	α-helix	trans	-55.1	-41.3	179.6	176.4	177.4	170.3	-135.2	-9.1	111.4	F221 N222 L223	R219-F221 PolarHBondContact O-N 2.66Å; R219-N222 PolarHBondContact O-N 3.21Å; R219-L223 HydrophobicContact CG-CD1 3.71Å; R219-L223 HydrophobicContact CG-CG 4.32Å; R219-L223 WeakPolarHBondContact O-CG 3.45Å; R219-L223 PolarHBondContact O-N 2.68Å
220	W	98.6	Very high	98.2	Very high	16 Å²	16	47 Å²	47	6%	0.061	22%	0.22	C	C	.	.	H	α-helix	trans	-58.1	-47.8	178.3	-57.9	-19.7	0	0	0	111.7	T214 H218 N222 L223 S224 Y231 Y234 Y235 L280 E290 L294	T214-W220 HydrophobicContact CG2-CE3 3.93Å; T214-W220 HydrophobicContact CG2-CZ3 4.15Å; H218-W220 AromaticContact CE1-CD1 3.73Å; H218-W220 AromaticContact CE1-CD2 3.16Å; H218-W220 AromaticContact CE1-CE2 3.48Å; H218-W220 VanDerWaalsContact CE1-CE2 3.48Å; H218-W220 AromaticContact CE1-CE3 3.55Å; H218-W220 AromaticContact CE1-CG 3.37Å; H218-W220 AromaticContact CE1-NE1 3.79Å; H218-W220 WeakPolarHBondContact ND1-CB 3.22Å; H218-W220 AromaticContact ND1-CD1 3.88Å; H218-W220 AromaticContact ND1-CD2 3.45Å; H218-W220 AromaticContact ND1-CE3 3.78Å; H218-W220 AromaticContact ND1-CG 3.25Å; H218-W220 PolarHBondContact ND1-N 3.23Å; H218-W220 VanDerWaalsContact ND1-N 3.14Å; H218-W220 PolarHBondContact O-N 3.23Å; W220-N222 PolarHBondContact O-N 3.38Å; W220-L223 PolarHBondContact O-N 3.21Å; W220-S224 WeakPolarHBondContact O-CB 3.37Å; W220-S224 PolarHBondContact O-N 3.36Å; W220-Y231 HydrophobicContact CB-CD1 4.27Å; W220-Y231 AromaticContact CD1-CD1 3.8Å; W220-Y231 AromaticContact CD1-CE1 3.38Å; W220-Y231 HydrophobicContact CG-CD1 4.22Å; W220-Y231 HydrophobicContact CG-CE1 4.2Å; W220-Y231 AromaticContact NE1-CE1 3.88Å; W220-Y234 HydrophobicContact CB-CD1 4Å; W220-Y234 AromaticContact CD2-CD1 3.96Å; W220-Y234 HydrophobicContact CD2-CD1 3.96Å; W220-Y234 HydrophobicContact CD2-CE1 4.04Å; W220-Y234 HydrophobicContact CE3-CD1 4.22Å; W220-Y234 AromaticContact CG-CD1 3.89Å; W220-Y234 HydrophobicContact CG-CD1 3.89Å; W220-Y234 HydrophobicContact CG-CE1 4.13Å; W220-Y235 VanDerWaalsContact C-CE2 3.45Å; W220-Y235 HydrophobicContact CB-CE2 3.82Å; W220-Y235 WeakPolarHBondContact CB-OH 3.3Å; W220-L280 HydrophobicContact CE3-CD2 3.91Å; W220-L280 HydrophobicContact CZ3-CD1 4.37Å; W220-L280 HydrophobicContact CZ3-CD2 4.13Å; W220-E290 HydrophobicContact CH2-CB 3.81Å; W220-E290 HydrophobicContact CH2-CG 4.5Å; W220-E290 HydrophobicContact CZ2-CB 3.89Å; W220-E290 HydrophobicContact CZ2-CG 4.12Å; W220-L294 HydrophobicContact CH2-CD1 3.96Å
221	F	98.8	Very high	98.2	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-64.6	-41.1	-179.8	-170.9	-107.5	0	0	0	111.7	D216 H218 R219 L223 S224 R225 Y235 W237 Y269 P278	D216-F221 HydrophobicContact CB-CD1 4.06Å; D216-F221 HydrophobicContact CB-CE1 4.07Å; D216-F221 VanDerWaalsContact O-CD1 3.3Å; D216-F221 WeakPolarHBondContact O-CD1 2.98Å; H218-F221 PolarHBondContact O-N 3.22Å; H218-F221 VanDerWaalsContact O-N 3.14Å; R219-F221 PolarHBondContact O-N 2.66Å; F221-L223 PolarHBondContact O-N 2.9Å; F221-S224 WeakPolarHBondContact O-CB 3.35Å; F221-S224 PolarHBondContact O-N 3.47Å; F221-R225 VanDerWaalsContact CD1-NH2 3.35Å; F221-R225 VanDerWaalsContact CE1-CZ 3.48Å; F221-R225 PolarHBondContact O-N 3.09Å; F221-Y235 HydrophobicContact CB-CD2 4.49Å; F221-Y235 HydrophobicContact CB-CE1 4.12Å; F221-Y235 HydrophobicContact CB-CE2 3.8Å; F221-Y235 AromaticContact CD2-CD1 3.74Å; F221-Y235 HydrophobicContact CD2-CD1 3.74Å; F221-Y235 AromaticContact CD2-CD2 3.93Å; F221-Y235 HydrophobicContact CD2-CD2 3.93Å; F221-Y235 AromaticContact CD2-CE1 3.82Å; F221-Y235 HydrophobicContact CD2-CE1 3.82Å; F221-Y235 HydrophobicContact CD2-CE2 4.04Å; F221-Y235 AromaticContact CD2-CG 3.79Å; F221-Y235 HydrophobicContact CD2-CG 3.79Å; F221-Y235 AromaticContact CD2-CZ 3.97Å; F221-Y235 HydrophobicContact CE2-CD1 4.41Å; F221-Y235 HydrophobicContact CE2-CG 4.41Å; F221-Y235 HydrophobicContact CG-CE1 4.42Å; F221-Y235 HydrophobicContact CG-CE2 4.43Å; F221-Y235 PolarHBondContact N-OH 2.96Å; F221-Y235 VanDerWaalsContact N-OH 3.1Å; F221-W237 HydrophobicContact CD2-CZ2 4.32Å; F221-W237 AromaticContact CE2-CH2 3.93Å; F221-W237 HydrophobicContact CE2-CH2 3.93Å; F221-W237 AromaticContact CE2-CZ2 3.62Å; F221-W237 HydrophobicContact CE2-CZ2 3.62Å; F221-W237 AromaticContact CZ-CH2 3.84Å; F221-W237 HydrophobicContact CZ-CH2 3.84Å; F221-W237 AromaticContact CZ-CZ2 3.97Å; F221-W237 HydrophobicContact CZ-CZ2 3.97Å; F221-Y269 HydrophobicContact CE2-CD1 4.29Å; F221-Y269 HydrophobicContact CE2-CD2 4.16Å; F221-Y269 AromaticContact CE2-CG 3.99Å; F221-Y269 HydrophobicContact CE2-CG 3.99Å; F221-Y269 AromaticContact CZ-CD1 3.8Å; F221-Y269 HydrophobicContact CZ-CD1 3.8Å; F221-Y269 HydrophobicContact CZ-CD2 4.18Å; F221-Y269 AromaticContact CZ-CE1 3.87Å; F221-Y269 HydrophobicContact CZ-CE1 3.87Å; F221-Y269 HydrophobicContact CZ-CE2 4.25Å; F221-Y269 AromaticContact CZ-CG 3.95Å; F221-Y269 HydrophobicContact CZ-CG 3.95Å; F221-P278 HydrophobicContact CB-CG 4.42Å; F221-P278 HydrophobicContact CD1-CG 4.39Å; F221-P278 HydrophobicContact CD2-CB 3.63Å; F221-P278 HydrophobicContact CD2-CG 3.5Å; F221-P278 HydrophobicContact CE2-CB 3.46Å; F221-P278 VanDerWaalsContact CE2-CB 3.46Å; F221-P278 HydrophobicContact CE2-CG 3.74Å; F221-P278 HydrophobicContact CG-CB 4.46Å; F221-P278 HydrophobicContact CG-CG 3.86Å; F221-P278 HydrophobicContact CZ-CB 4.18Å; F221-P278 HydrophobicContact CZ-CG 4.27Å
222	N	98.5	Very high	98.3	Very high	61 Å²	61	52.3 Å²	52.3	33%	0.326	24%	0.242	S	C	.	.	H	α-helix	trans	-64.8	-37.1	178	-74.4	-53.3	0	0	0	113.9	R217 H218 R219 W220 R225 T226	R217-N222 PolarHBondContact O-ND2 2.7Å; H218-N222 PolarHBondContact O-N 3.28Å; H218-N222 VanDerWaalsContact O-N 3.17Å; H218-N222 PolarHBondContact O-ND2 2.62Å; H218-N222 VanDerWaalsContact O-ND2 3.15Å; R219-N222 PolarHBondContact O-N 3.21Å; W220-N222 PolarHBondContact O-N 3.38Å; N222-R225 WeakPolarHBondContact O-CG 3.32Å; N222-R225 PolarHBondContact OD1-NE 3.35Å; N222-R225 PolarHBondContact OD1-NH2 2.88Å; N222-T226 PolarHBondContact O-OG1 2.8Å; N222-T226 VanDerWaalsContact O-OG1 3.06Å
223	L	98.6	Very high	98.2	Very high	41 Å²	41	55.8 Å²	55.8	22%	0.215	26%	0.261	C	S	.	.	H	α-helix	trans	-76.1	-34.6	173.3	-66.9	174.1	0	0	0	111.4	R219 W220 F221 T226 R227 D228 Y231	R219-L223 HydrophobicContact CG-CD1 3.71Å; R219-L223 HydrophobicContact CG-CG 4.32Å; R219-L223 WeakPolarHBondContact O-CG 3.45Å; R219-L223 PolarHBondContact O-N 2.68Å; W220-L223 PolarHBondContact O-N 3.21Å; F221-L223 PolarHBondContact O-N 2.9Å; L223-T226 PolarHBondContact O-N 3.34Å; L223-T226 PolarHBondContact O-OG1 2.97Å; L223-T226 VanDerWaalsContact O-OG1 3.11Å; L223-R227 PolarHBondContact O-N 2.86Å; L223-D228 HydrophobicContact CB-CB 3.89Å; L223-D228 HydrophobicContact CD2-CB 4.4Å; L223-D228 VanDerWaalsContact O-CB 3.32Å; L223-D228 WeakPolarHBondContact O-CB 3.35Å; L223-D228 PolarHBondContact O-N 3.27Å; L223-Y231 HydrophobicContact CB-CD2 3.54Å; L223-Y231 HydrophobicContact CB-CE2 4.36Å; L223-Y231 HydrophobicContact CB-CG 3.77Å; L223-Y231 HydrophobicContact CD1-CD2 3.41Å; L223-Y231 VanDerWaalsContact CD1-CD2 3.41Å; L223-Y231 HydrophobicContact CD1-CE2 3.32Å; L223-Y231 HydrophobicContact CD1-CG 4.18Å; L223-Y231 HydrophobicContact CG-CD2 4.08Å; L223-Y231 HydrophobicContact CG-CE2 4.44Å
224	S	98.7	Very high	98.2	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.1	-51.3	174.9	-162.7	0	0	0	0	111.2	W220 F221 T226 R227 Y231 W237 R265	W220-S224 WeakPolarHBondContact O-CB 3.37Å; W220-S224 PolarHBondContact O-N 3.36Å; F221-S224 WeakPolarHBondContact O-CB 3.35Å; F221-S224 PolarHBondContact O-N 3.47Å; S224-T226 PolarHBondContact O-N 3.05Å; S224-T226 VanDerWaalsContact O-N 3.09Å; S224-R227 PolarHBondContact O-N 3.24Å; S224-Y231 WeakPolarHBondContact CA-O 3.25Å; S224-Y231 WeakPolarHBondContact CB-O 3.43Å; S224-Y231 PolarHBondContact OG-O 3.2Å; S224-W237 PolarHBondContact OG-NE1 2.95Å; S224-R265 PolarHBondContact O-NH1 3.21Å
225	R	98.3	Very high	98.2	Very high	49 Å²	49	56 Å²	56	19%	0.185	26%	0.261	C	S	.	.	H	α-helix	trans	-59.7	-27.6	-179	76.1	172.2	98.2	-148	7.6	113.4	D216 F221 N222 W237 D262 V264 R265	D216-R225 PolarHBondContact O-NH2 3.37Å; F221-R225 VanDerWaalsContact CD1-NH2 3.35Å; F221-R225 VanDerWaalsContact CE1-CZ 3.48Å; F221-R225 PolarHBondContact O-N 3.09Å; N222-R225 WeakPolarHBondContact O-CG 3.32Å; N222-R225 PolarHBondContact OD1-NE 3.35Å; N222-R225 PolarHBondContact OD1-NH2 2.88Å; R225-W237 HydrophobicContact CB-CH2 4.1Å; R225-W237 HydrophobicContact CB-CZ2 3.98Å; R225-D262 IonicContact NH1-OD2 3.85Å; R225-D262 PolarHBondContact NH1-OD2 3.48Å; R225-V264 HydrophobicContact CG-CG1 4.5Å; R225-R265 HydrophobicContact CB-CB 4.47Å; R225-R265 WeakPolarHBondContact O-CA 3.29Å; R225-R265 WeakPolarHBondContact O-CB 3.26Å; R225-R265 VanDerWaalsContact O-CD 3.24Å; R225-R265 WeakPolarHBondContact O-CD 3.11Å
226	T	98.3	Very high	98.2	Very high	85 Å²	85	57.2 Å²	57.2	52%	0.521	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	5	177.1	54.5	0	0	0	0	114.4	N222 L223 S224 D228 V264	N222-T226 PolarHBondContact O-OG1 2.8Å; N222-T226 VanDerWaalsContact O-OG1 3.06Å; L223-T226 PolarHBondContact O-N 3.34Å; L223-T226 PolarHBondContact O-OG1 2.97Å; L223-T226 VanDerWaalsContact O-OG1 3.11Å; S224-T226 PolarHBondContact O-N 3.05Å; S224-T226 VanDerWaalsContact O-N 3.09Å; T226-D228 VanDerWaalsContact C-N 3.34Å; T226-V264 HydrophobicContact CG2-CG1 4.12Å
227	R	98.1	Very high	98.3	Very high	130 Å²	130	57 Å²	57	49%	0.491	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	35.7	-179.6	-60.5	171.9	-177.2	-92.6	-1.9	113.3	L223 S224 R265 Q267	L223-R227 PolarHBondContact O-N 2.86Å; S224-R227 PolarHBondContact O-N 3.24Å; R227-R265 VanDerWaalsContact CG-CZ 3.5Å; R227-R265 VanDerWaalsContact CG-NH1 3.25Å; R227-R265 PolarHBondContact NH2-O 3.23Å; R227-R265 VanDerWaalsContact NH2-O 3.12Å; R227-Q267 VanDerWaalsContact NH2-OE1 3.12Å
228	D	98.4	Very high	98.2	Very high	54 Å²	54	51.8 Å²	51.8	29%	0.289	25%	0.249	S	C	.	.			trans	-53.3	131	168	-177.9	-78.2	0	0	0	109.6	L223 T226 H230 Y231 K232	L223-D228 HydrophobicContact CB-CB 3.89Å; L223-D228 HydrophobicContact CD2-CB 4.4Å; L223-D228 VanDerWaalsContact O-CB 3.32Å; L223-D228 WeakPolarHBondContact O-CB 3.35Å; L223-D228 PolarHBondContact O-N 3.27Å; T226-D228 VanDerWaalsContact C-N 3.34Å; D228-H230 PolarHBondContact O-N 3.08Å; D228-H230 PolarHBondContact OD1-N 3.42Å; D228-Y231 HydrophobicContact CB-CD2 4.21Å; D228-Y231 PolarHBondContact O-N 3.03Å; D228-Y231 VanDerWaalsContact O-N 3.15Å; D228-Y231 WeakPolarHBondContact OD1-CD2 3.28Å; D228-K232 WeakPolarHBondContact O-CA 3.39Å; D228-K232 VanDerWaalsContact O-CB 3.23Å; D228-K232 WeakPolarHBondContact O-CB 3.34Å; D228-K232 PolarHBondContact O-N 3.17Å
229	P	96.4	Very high	98.1	Very high	109 Å²	109	57.1 Å²	57.1	71%	0.708	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-28.5	-171.3	-27.8	35.1	0	0	0	115.2
230	H	97	Very high	97.8	Very high	90 Å²	90	50.5 Å²	50.5	42%	0.417	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-40.6	179.8	-175.8	47.6	0	0	0	111.8	D228 Y234	D228-H230 PolarHBondContact O-N 3.08Å; D228-H230 PolarHBondContact OD1-N 3.42Å; H230-Y234 PolarHBondContact NE2-OH 3.21Å; H230-Y234 WeakPolarHBondContact O-CE2 3.31Å
231	Y	98.4	Very high	97.4	Very high	22 Å²	22	54 Å²	54	9%	0.086	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-7.6	-173.4	-60	-77.4	0	0	0	114.8	W220 L223 S224 D228 D233 Y234	W220-Y231 HydrophobicContact CB-CD1 4.27Å; W220-Y231 AromaticContact CD1-CD1 3.8Å; W220-Y231 AromaticContact CD1-CE1 3.38Å; W220-Y231 HydrophobicContact CG-CD1 4.22Å; W220-Y231 HydrophobicContact CG-CE1 4.2Å; W220-Y231 AromaticContact NE1-CE1 3.88Å; L223-Y231 HydrophobicContact CB-CD2 3.54Å; L223-Y231 HydrophobicContact CB-CE2 4.36Å; L223-Y231 HydrophobicContact CB-CG 3.77Å; L223-Y231 HydrophobicContact CD1-CD2 3.41Å; L223-Y231 VanDerWaalsContact CD1-CD2 3.41Å; L223-Y231 HydrophobicContact CD1-CE2 3.32Å; L223-Y231 HydrophobicContact CD1-CG 4.18Å; L223-Y231 HydrophobicContact CG-CD2 4.08Å; L223-Y231 HydrophobicContact CG-CE2 4.44Å; S224-Y231 WeakPolarHBondContact CA-O 3.25Å; S224-Y231 WeakPolarHBondContact CB-O 3.43Å; S224-Y231 PolarHBondContact OG-O 3.2Å; D228-Y231 HydrophobicContact CB-CD2 4.21Å; D228-Y231 PolarHBondContact O-N 3.03Å; D228-Y231 VanDerWaalsContact O-N 3.15Å; D228-Y231 WeakPolarHBondContact OD1-CD2 3.28Å; Y231-D233 PolarHBondContact O-N 2.68Å; Y231-Y234 AromaticContact CD1-CD1 3.73Å; Y231-Y234 HydrophobicContact CD1-CD1 3.73Å; Y231-Y234 HydrophobicContact CD1-CD2 4.22Å; Y231-Y234 AromaticContact CD1-CE1 3.63Å; Y231-Y234 HydrophobicContact CD1-CE1 3.63Å; Y231-Y234 HydrophobicContact CD1-CE2 4.12Å; Y231-Y234 HydrophobicContact CD1-CG 4.03Å; Y231-Y234 AromaticContact CD1-CZ 3.84Å; Y231-Y234 HydrophobicContact CE1-CD1 4.32Å; Y231-Y234 AromaticContact CE1-CE1 3.79Å; Y231-Y234 HydrophobicContact CE1-CE1 3.79Å; Y231-Y234 AromaticContact CE1-CZ 3.97Å; Y231-Y234 WeakPolarHBondContact O-CB 3.24Å; Y231-Y234 PolarHBondContact O-N 3.08Å
232	K	98.1	Very high	97	Very high	88 Å²	88	57.7 Å²	57.7	38%	0.383	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-22.5	-172.5	56.8	164.9	-176.1	161.4	0	115.4	D228 R265	D228-K232 WeakPolarHBondContact O-CA 3.39Å; D228-K232 VanDerWaalsContact O-CB 3.23Å; D228-K232 WeakPolarHBondContact O-CB 3.34Å; D228-K232 PolarHBondContact O-N 3.17Å; K232-R265 PolarHBondContact O-NH1 2.93Å; K232-R265 PolarHBondContact O-NH2 3.3Å; K232-R265 VanDerWaalsContact O-NH2 3.07Å
233	D	98.2	Very high	96.4	Very high	74 Å²	74	59 Å²	59	40%	0.396	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	17.2	-176.4	-56.1	-35.9	0	0	0	112	Y231 Y235 N281 N284	Y231-D233 PolarHBondContact O-N 2.68Å; D233-Y235 VanDerWaalsContact C-N 3.3Å; D233-N281 WeakPolarHBondContact O-CB 3.49Å; D233-N281 PolarHBondContact O-ND2 2.86Å; D233-N284 PolarHBondContact O-ND2 3.47Å
234	Y	98.7	Very high	95.8	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.008	33%	0.331	C	S	.	.	S	Bend	trans	-74.1	-18.4	176.3	-92.2	-134.7	0	0	0	113.6	W220 H230 Y231 L280 N281 D286 V287 E290	W220-Y234 HydrophobicContact CB-CD1 4Å; W220-Y234 AromaticContact CD2-CD1 3.96Å; W220-Y234 HydrophobicContact CD2-CD1 3.96Å; W220-Y234 HydrophobicContact CD2-CE1 4.04Å; W220-Y234 HydrophobicContact CE3-CD1 4.22Å; W220-Y234 AromaticContact CG-CD1 3.89Å; W220-Y234 HydrophobicContact CG-CD1 3.89Å; W220-Y234 HydrophobicContact CG-CE1 4.13Å; H230-Y234 PolarHBondContact NE2-OH 3.21Å; H230-Y234 WeakPolarHBondContact O-CE2 3.31Å; Y231-Y234 AromaticContact CD1-CD1 3.73Å; Y231-Y234 HydrophobicContact CD1-CD1 3.73Å; Y231-Y234 HydrophobicContact CD1-CD2 4.22Å; Y231-Y234 AromaticContact CD1-CE1 3.63Å; Y231-Y234 HydrophobicContact CD1-CE1 3.63Å; Y231-Y234 HydrophobicContact CD1-CE2 4.12Å; Y231-Y234 HydrophobicContact CD1-CG 4.03Å; Y231-Y234 AromaticContact CD1-CZ 3.84Å; Y231-Y234 HydrophobicContact CE1-CD1 4.32Å; Y231-Y234 AromaticContact CE1-CE1 3.79Å; Y231-Y234 HydrophobicContact CE1-CE1 3.79Å; Y231-Y234 AromaticContact CE1-CZ 3.97Å; Y231-Y234 WeakPolarHBondContact O-CB 3.24Å; Y231-Y234 PolarHBondContact O-N 3.08Å; Y234-L280 WeakPolarHBondContact O-CA 3.31Å; Y234-N281 PolarHBondContact O-N 3.27Å; Y234-D286 HydrophobicContact CE2-CB 4.09Å; Y234-V287 HydrophobicContact CD1-CG2 4.01Å; Y234-V287 HydrophobicContact CD2-CG2 3.82Å; Y234-V287 HydrophobicContact CE1-CG2 4.39Å; Y234-V287 HydrophobicContact CE2-CG2 4.21Å; Y234-V287 HydrophobicContact CG-CG2 3.71Å; Y234-E290 HydrophobicContact CE1-CG 4.16Å; Y234-E290 PolarHBondContact OH-OE1 2.73Å
235	Y	98.8	Very high	95.2	Very high	3 Å²	3	62 Å²	62	1%	0.012	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-127.1	160.8	179.3	-62.2	-96.9	0	0	0	109.8	T214 W220 F221 D233 W237 P278 D279 L280	T214-Y235 HydrophobicContact CG2-CE1 4.46Å; T214-Y235 WeakPolarHBondContact OG1-CE1 3.43Å; T214-Y235 PolarHBondContact OG1-OH 3.47Å; W220-Y235 VanDerWaalsContact C-CE2 3.45Å; W220-Y235 HydrophobicContact CB-CE2 3.82Å; W220-Y235 WeakPolarHBondContact CB-OH 3.3Å; F221-Y235 HydrophobicContact CB-CD2 4.49Å; F221-Y235 HydrophobicContact CB-CE1 4.12Å; F221-Y235 HydrophobicContact CB-CE2 3.8Å; F221-Y235 AromaticContact CD2-CD1 3.74Å; F221-Y235 HydrophobicContact CD2-CD1 3.74Å; F221-Y235 AromaticContact CD2-CD2 3.93Å; F221-Y235 HydrophobicContact CD2-CD2 3.93Å; F221-Y235 AromaticContact CD2-CE1 3.82Å; F221-Y235 HydrophobicContact CD2-CE1 3.82Å; F221-Y235 HydrophobicContact CD2-CE2 4.04Å; F221-Y235 AromaticContact CD2-CG 3.79Å; F221-Y235 HydrophobicContact CD2-CG 3.79Å; F221-Y235 AromaticContact CD2-CZ 3.97Å; F221-Y235 HydrophobicContact CE2-CD1 4.41Å; F221-Y235 HydrophobicContact CE2-CG 4.41Å; F221-Y235 HydrophobicContact CG-CE1 4.42Å; F221-Y235 HydrophobicContact CG-CE2 4.43Å; F221-Y235 PolarHBondContact N-OH 2.96Å; F221-Y235 VanDerWaalsContact N-OH 3.1Å; D233-Y235 VanDerWaalsContact C-N 3.3Å; Y235-W237 PolarHBondContact O-N 2.82Å; Y235-P278 HydrophobicContact CD1-CB 3.71Å; Y235-P278 HydrophobicContact CD1-CG 4.1Å; Y235-P278 HydrophobicContact CE1-CB 3.95Å; Y235-P278 HydrophobicContact CE1-CG 3.81Å; Y235-P278 WeakPolarHBondContact CE1-O 3.34Å; Y235-D279 WeakPolarHBondContact CA-O 3.3Å; Y235-D279 VanDerWaalsContact CD1-O 3.26Å; Y235-D279 WeakPolarHBondContact CD1-O 3.43Å; Y235-L280 HydrophobicContact CE1-CD2 4.06Å
236	V	98.4	Very high	94.7	Very high	26 Å²	26	64.7 Å²	64.7	16%	0.158	36%	0.356	C	S	.	.			trans	-81	101.8	179.5	-176.7	0	0	0	0	109.6	W259 Y269 L270 D279 N281	V236-W259 HydrophobicContact CG1-CH2 3.99Å; V236-W259 HydrophobicContact CG1-CZ3 4.35Å; V236-Y269 VanDerWaalsContact O-CA 3.28Å; V236-Y269 WeakPolarHBondContact O-CA 3.47Å; V236-L270 HydrophobicContact CB-CB 3.84Å; V236-L270 HydrophobicContact CB-CD2 4.3Å; V236-L270 HydrophobicContact CG1-CB 4.04Å; V236-L270 HydrophobicContact CG1-CD2 4.26Å; V236-L270 HydrophobicContact CG2-CD2 4.38Å; V236-L270 PolarHBondContact O-N 2.81Å; V236-D279 PolarHBondContact N-O 3.17Å; V236-N281 HydrophobicContact CG2-CB 4.09Å
237	W	98.3	Very high	94.5	Very high	33 Å²	33	62.8 Å²	62.8	13%	0.125	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	142	176.9	-67.8	100.1	0	0	0	111.6	F221 S224 R225 Y235 D262 R265 Q267 C268 Y269	F221-W237 HydrophobicContact CD2-CZ2 4.32Å; F221-W237 AromaticContact CE2-CH2 3.93Å; F221-W237 HydrophobicContact CE2-CH2 3.93Å; F221-W237 AromaticContact CE2-CZ2 3.62Å; F221-W237 HydrophobicContact CE2-CZ2 3.62Å; F221-W237 AromaticContact CZ-CH2 3.84Å; F221-W237 HydrophobicContact CZ-CH2 3.84Å; F221-W237 AromaticContact CZ-CZ2 3.97Å; F221-W237 HydrophobicContact CZ-CZ2 3.97Å; S224-W237 PolarHBondContact OG-NE1 2.95Å; R225-W237 HydrophobicContact CB-CH2 4.1Å; R225-W237 HydrophobicContact CB-CZ2 3.98Å; Y235-W237 PolarHBondContact O-N 2.82Å; W237-D262 HydrophobicContact CH2-CB 3.68Å; W237-D262 HydrophobicContact CZ3-CB 3.64Å; W237-R265 HydrophobicContact CD2-CG 3.94Å; W237-R265 HydrophobicContact CE3-CB 4.24Å; W237-R265 HydrophobicContact CE3-CG 3.69Å; W237-R265 HydrophobicContact CH2-CB 3.94Å; W237-R265 HydrophobicContact CH2-CG 4.09Å; W237-R265 HydrophobicContact CZ2-CG 4.32Å; W237-R265 HydrophobicContact CZ3-CB 3.78Å; W237-R265 HydrophobicContact CZ3-CG 3.76Å; W237-Q267 HydrophobicContact CE3-CB 3.82Å; W237-Q267 HydrophobicContact CZ3-CB 4.44Å; W237-C268 CarbonylContact C-O 3.14Å; W237-C268 WeakPolarHBondContact CA-O 3.48Å; W237-Y269 AromaticContact CH2-CD1 3.83Å; W237-Y269 HydrophobicContact CH2-CD1 3.83Å; W237-Y269 HydrophobicContact CH2-CG 4.22Å; W237-Y269 AromaticContact CZ3-CD1 3.74Å; W237-Y269 HydrophobicContact CZ3-CD1 3.74Å; W237-Y269 HydrophobicContact CZ3-CG 4.16Å
238	T	97.4	Very high	94.4	Very high	30 Å²	30	57 Å²	57	18%	0.184	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	154.3	172.4	-167.5	0	0	0	0	112	P247 W259 Q267 C268	T238-P247 HydrophobicContact CG2-CB 3.66Å; T238-P247 HydrophobicContact CG2-CG 3.22Å; T238-W259 HydrophobicContact CG2-CE3 3.83Å; T238-W259 HydrophobicContact CG2-CH2 3.73Å; T238-W259 HydrophobicContact CG2-CZ2 4.42Å; T238-W259 HydrophobicContact CG2-CZ3 3.39Å; T238-Q267 WeakPolarHBondContact O-CB 3.28Å; T238-C268 HydrophobicContact CG2-CB 4.3Å; T238-C268 PolarHBondContact N-O 2.6Å; T238-C268 PolarHBondContact O-N 3.15Å
239	D	95.9	Very high	94.2	Very high	122 Å²	122	56 Å²	56	65%	0.652	32%	0.318	S	S	*	.			trans	-70.2	136.1	174.3	-64.4	-25.7	0	0	0	109.7	Q267	D239-Q267 PolarHBondContact OD1-NE2 2.86Å
240	C	93.1	Very high	94.3	Very high	25 Å²	25	50.9 Å²	50.9	17%	0.169	29%	0.285	C	S	.	.			trans	-151.5	160	178.9	66.5	0	0	0	0	110.5	P247 Y261 C268	C240-P247 HydrophobicContact CB-CG 4.01Å; C240-Y261 VanDerWaalsContact SG-CD2 3.57Å; C240-C268 HydrophobicContact CB-CB 3.81Å; C240-C268 WeakPolarHBondContact CB-SG 3.31Å; C240-C268 WeakPolarHBondContact SG-CB 3.48Å; C240-C268 PolarHBondContact SG-N 3.4Å; C240-C268 CovalentContact SG-SG 2.02Å; C240-C268 PolarHBondContact SG-SG 2.7Å
241	D	90	Very high	94.2	Very high	90 Å²	90	47.1 Å²	47.1	48%	0.481	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-75.7	123.4	174.6	-175.4	-9.5	0	0	0	109.5	A243 S244 P245	D241-A243 PolarHBondContact O-N 3.28Å; D241-A243 VanDerWaalsContact O-N 3.17Å; D241-A243 WeakPolarHBondContact OD1-CB 3.39Å; D241-A243 PolarHBondContact OD1-N 3.25Å; D241-S244 CarbonylContact O-C 3.56Å; D241-S244 PolarHBondContact O-N 2.96Å; D241-S244 VanDerWaalsContact O-O 3.08Å; D241-P245 VanDerWaalsContact O-CA 3.29Å; D241-P245 WeakPolarHBondContact O-CA 3.38Å
242	P	89	Confident	94	Very high	78 Å²	78	46.2 Å²	46.2	51%	0.506	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-27.6	173.8	22	-33.2	0	0	0	113.4	S244 Y261	P242-S244 VanDerWaalsContact C-N 3.33Å; P242-Y261 HydrophobicContact CB-CD1 4.03Å; P242-Y261 HydrophobicContact CB-CD2 4.38Å; P242-Y261 HydrophobicContact CB-CE1 3.7Å; P242-Y261 HydrophobicContact CB-CE2 4.07Å; P242-Y261 HydrophobicContact CB-CG 4.36Å
243	A	86.4	Confident	93.6	Very high	88 Å²	88	44 Å²	44	73%	0.727	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-21	176.3	0	0	0	0	0	113	D241	D241-A243 PolarHBondContact O-N 3.28Å; D241-A243 VanDerWaalsContact O-N 3.17Å; D241-A243 WeakPolarHBondContact OD1-CB 3.39Å; D241-A243 PolarHBondContact OD1-N 3.25Å
244	S	86.1	Confident	93	Very high	64 Å²	64	43.1 Å²	43.1	45%	0.448	25%	0.25	S	C	.	.	B	Isolated β-bridge	trans	-147.7	79.1	177.7	-173.6	0	0	0	0	109.2	D241 P242 K246	D241-S244 CarbonylContact O-C 3.56Å; D241-S244 PolarHBondContact O-N 2.96Å; D241-S244 VanDerWaalsContact O-O 3.08Å; P242-S244 VanDerWaalsContact C-N 3.33Å; S244-K246 PolarHBondContact O-N 2.88Å
245	P	85.3	Confident	92.4	Very high	41 Å²	41	43.8 Å²	43.8	27%	0.266	26%	0.258	S	S	.	.			trans	-78.1	52.7	-169.5	34.2	-38.6	0	0	0	111.9	D241 W259 C268	D241-P245 VanDerWaalsContact O-CA 3.29Å; D241-P245 WeakPolarHBondContact O-CA 3.38Å; P245-W259 WeakPolarHBondContact O-CB 3.39Å; P245-C268 WeakPolarHBondContact CB-SG 3.29Å
246	K	89.1	Confident	92	Very high	105 Å²	105	47.3 Å²	47.3	46%	0.457	28%	0.277	S	S	.	.			trans	-127.3	89	-177.1	-62.9	-169.8	-179.2	-170.3	0	108.7	S244 N248	S244-K246 PolarHBondContact O-N 2.88Å; K246-N248 PolarHBondContact O-N 2.82Å
247	P	93.2	Very high	91.8	Very high	44 Å²	44	47.1 Å²	47.1	29%	0.286	28%	0.277	S	S	.	.	S	Bend	trans	-59	-30.1	174	-19.5	30.4	0	0	0	112.8	T238 C240 W259 C268	T238-P247 HydrophobicContact CG2-CB 3.66Å; T238-P247 HydrophobicContact CG2-CG 3.22Å; C240-P247 HydrophobicContact CB-CG 4.01Å; P247-W259 VanDerWaalsContact CD-CG 3.41Å; P247-W259 HydrophobicContact CG-CB 4.42Å; P247-W259 HydrophobicContact CG-CD2 3.65Å; P247-W259 HydrophobicContact CG-CE3 3.95Å; P247-W259 HydrophobicContact CG-CG 3.87Å; P247-W259 HydrophobicContact CG-CZ2 4.44Å; P247-W259 HydrophobicContact CG-CZ3 4.48Å; P247-C268 HydrophobicContact CG-CB 4.19Å
248	N	95.7	Very high	91.7	Very high	8 Å²	8	45.6 Å²	45.6	4%	0.043	27%	0.271	C	S	.	.	S	Bend	trans	-151.8	-177.5	176	58.2	29.5	0	0	0	109.4	K246 W250 W259 L320 D322	K246-N248 PolarHBondContact O-N 2.82Å; N248-W250 VanDerWaalsContact C-N 3.3Å; N248-W250 VanDerWaalsContact ND2-CD2 3.27Å; N248-W250 PolarHBondContact O-N 3.27Å; N248-W250 VanDerWaalsContact OD1-CB 3.3Å; N248-W250 WeakPolarHBondContact OD1-CB 3.32Å; N248-W250 PolarHBondContact OD1-N 2.8Å; N248-W259 PolarHBondContact OD1-NE1 2.68Å; N248-L320 PolarHBondContact ND2-O 3Å; N248-D322 WeakPolarHBondContact CA-OD1 3.32Å; N248-D322 WeakPolarHBondContact CB-OD1 3.4Å
249	N	95.6	Very high	91.7	Very high	33 Å²	33	44.5 Å²	44.5	18%	0.176	26%	0.263	C	S	.	.			trans	-82.2	8.1	-178.2	75.5	-15.2	0	0	0	115.3	V251 D322 E323 L341	N249-V251 PolarHBondContact O-N 2.75Å; N249-D322 HydrophobicContact CB-CB 4.42Å; N249-D322 PolarHBondContact N-OD1 2.91Å; N249-D322 WeakPolarHBondContact OD1-CA 3.46Å; N249-D322 WeakPolarHBondContact OD1-CB 3.46Å; N249-E323 PolarHBondContact ND2-O 2.72Å; N249-E323 PolarHBondContact OD1-N 3.29Å; N249-L341 WeakPolarHBondContact O-CD1 3.28Å
250	W	97.4	Very high	91.8	Very high	3 Å²	3	40.3 Å²	40.3	1%	0.011	24%	0.243	C	C	.	.			trans	-61.4	136.8	-173.7	-64	-3.3	0	0	0	112.5	N248 S258 W259 L270 E316 L320 R321 E323 T346	N248-W250 VanDerWaalsContact C-N 3.3Å; N248-W250 VanDerWaalsContact ND2-CD2 3.27Å; N248-W250 PolarHBondContact O-N 3.27Å; N248-W250 VanDerWaalsContact OD1-CB 3.3Å; N248-W250 WeakPolarHBondContact OD1-CB 3.32Å; N248-W250 PolarHBondContact OD1-N 2.8Å; W250-S258 WeakPolarHBondContact CB-OG 3.35Å; W250-S258 PolarHBondContact O-N 3.28Å; W250-S258 PolarHBondContact O-OG 2.95Å; W250-S258 VanDerWaalsContact O-OG 3.08Å; W250-W259 AromaticContact CE3-CZ2 3.89Å; W250-W259 HydrophobicContact CE3-CZ2 3.89Å; W250-W259 AromaticContact CE3-NE1 3.91Å; W250-W259 AromaticContact CZ3-CZ2 3.89Å; W250-W259 HydrophobicContact CZ3-CZ2 3.89Å; W250-L270 HydrophobicContact CE3-CD1 3.77Å; W250-L270 HydrophobicContact CZ3-CD1 4.06Å; W250-L270 HydrophobicContact CZ3-CD2 4.3Å; W250-E316 HydrophobicContact CH2-CB 3.76Å; W250-E316 HydrophobicContact CH2-CG 4.47Å; W250-E316 HydrophobicContact CZ3-CB 3.93Å; W250-E316 HydrophobicContact CZ3-CG 4.18Å; W250-L320 HydrophobicContact CH2-CD2 3.5Å; W250-L320 HydrophobicContact CZ2-CD2 4.29Å; W250-L320 HydrophobicContact CZ3-CD2 3.87Å; W250-R321 PolarHBondContact NE1-O 3.32Å; W250-E323 HydrophobicContact CG-CG 4.49Å; W250-T346 HydrophobicContact CB-CG2 4.44Å; W250-T346 HydrophobicContact CD2-CG2 3.45Å; W250-T346 VanDerWaalsContact CD2-CG2 3.45Å; W250-T346 HydrophobicContact CE3-CG2 3.69Å; W250-T346 HydrophobicContact CG-CG2 3.82Å; W250-T346 HydrophobicContact CH2-CG2 4.3Å; W250-T346 HydrophobicContact CZ2-CG2 4.13Å; W250-T346 HydrophobicContact CZ3-CG2 4.11Å
251	V	95.2	Very high	92	Very high	11 Å²	11	41.8 Å²	41.8	7%	0.067	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-110.4	138.7	-176.5	171.5	0	0	0	0	110.4	N249 N256 V335 L341	N249-V251 PolarHBondContact O-N 2.75Å; V251-N256 CarbonylContact C-O 2.91Å; V251-N256 VanDerWaalsContact CA-O 3.28Å; V251-N256 WeakPolarHBondContact CA-O 3.14Å; V251-N256 WeakPolarHBondContact CG1-O 3.3Å; V251-V335 HydrophobicContact CG2-CG1 4.09Å; V251-L341 HydrophobicContact CB-CD1 4.11Å; V251-L341 HydrophobicContact CG2-CD1 3.75Å
252	S	93.9	Very high	92.4	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.021	23%	0.225	C	C	.	.			trans	-70.2	149.8	171.4	161.8	0	0	0	0	110.6	F254 G255 N256 Q272 F273	S252-F254 PolarHBondContact O-N 3.34Å; S252-F254 PolarHBondContact OG-N 2.84Å; S252-G255 WeakPolarHBondContact O-CA 3.29Å; S252-G255 PolarHBondContact O-N 2.88Å; S252-N256 PolarHBondContact N-O 3.3Å; S252-Q272 WeakPolarHBondContact CA-O 3.34Å; S252-Q272 PolarHBondContact OG-O 3.45Å; S252-F273 PolarHBondContact OG-O 3.05Å
253	I	90.4	Very high	92.8	Very high	42 Å²	42	41.6 Å²	41.6	22%	0.215	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-36	174.6	-63.5	173.2	0	0	0	111.3	G255 Q272 F273 H313	I253-G255 PolarHBondContact O-N 2.94Å; I253-Q272 PolarHBondContact N-O 3.06Å; I253-F273 HydrophobicContact CB-CD1 4.48Å; I253-F273 HydrophobicContact CD1-CD1 3.84Å; I253-F273 HydrophobicContact CD1-CE1 3.4Å; I253-F273 HydrophobicContact CD1-CE2 4.35Å; I253-F273 HydrophobicContact CD1-CG 4.49Å; I253-F273 HydrophobicContact CD1-CZ 3.67Å; I253-H313 VanDerWaalsContact CD1-CE1 3.44Å; I253-H313 WeakPolarHBondContact CD1-CE1 3.36Å; I253-H313 WeakPolarHBondContact CD1-NE2 2.97Å
254	F	85.7	Confident	93.3	Very high	54 Å²	54	42 Å²	42	24%	0.237	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	8.3	176.5	-60.1	-50.5	0	0	0	113.5	S252 F273 L274 A497	S252-F254 PolarHBondContact O-N 3.34Å; S252-F254 PolarHBondContact OG-N 2.84Å; F254-F273 HydrophobicContact CD2-CB 4.19Å; F254-F273 HydrophobicContact CE2-CB 3.92Å; F254-F273 AromaticContact CE2-CD1 3.96Å; F254-F273 HydrophobicContact CE2-CD1 3.96Å; F254-F273 HydrophobicContact CE2-CG 4.45Å; F254-F273 HydrophobicContact CZ-CD1 4.25Å; F254-L274 HydrophobicContact CB-CD2 4.34Å; F254-L274 HydrophobicContact CD2-CD2 3.53Å; F254-L274 HydrophobicContact CD2-CG 3.69Å; F254-L274 HydrophobicContact CE2-CD2 4.16Å; F254-L274 HydrophobicContact CE2-CG 3.89Å; F254-L274 HydrophobicContact CG-CD2 4.22Å; F254-A497 HydrophobicContact CD1-CB 4.28Å; F254-A497 HydrophobicContact CE1-CB 4.41Å
255	G	85.8	Confident	93.9	Very high	17 Å²	17	39.8 Å²	39.8	18%	0.175	21%	0.21	C	C	.	.	S	Bend	trans	89.9	165.3	177.5	0	0	0	0	0	114.2	S252 I253 T336	S252-G255 WeakPolarHBondContact O-CA 3.29Å; S252-G255 PolarHBondContact O-N 2.88Å; I253-G255 PolarHBondContact O-N 2.94Å; G255-T336 WeakPolarHBondContact CA-O 3.24Å
256	N	89.6	Confident	94.4	Very high	76 Å²	76	39.5 Å²	39.5	41%	0.406	21%	0.214	S	C	.	.	S	Bend	trans	65.9	-172.7	-170	-52.4	-75.8	0	0	0	113	V251 S252 T336	V251-N256 CarbonylContact C-O 2.91Å; V251-N256 VanDerWaalsContact CA-O 3.28Å; V251-N256 WeakPolarHBondContact CA-O 3.14Å; V251-N256 WeakPolarHBondContact CG1-O 3.3Å; S252-N256 PolarHBondContact N-O 3.3Å; N256-T336 PolarHBondContact N-O 2.94Å
257	S	94.4	Very high	94.9	Very high	22 Å²	22	35.4 Å²	35.4	15%	0.154	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-63.1	143.6	-177.9	-168.1	0	0	0	0	111.7	W259 H271	S257-W259 PolarHBondContact O-N 3.08Å; S257-W259 PolarHBondContact OG-N 2.93Å; S257-H271 PolarHBondContact O-CE1 3.09Å; S257-H271 VanDerWaalsContact O-CE1 3.22Å
258	S	96.5	Very high	95.1	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.007	18%	0.183	C	C	.	.	S	Bend	trans	-78.9	7.9	167.8	57.1	0	0	0	0	113.3	W250 L270 H271	W250-S258 WeakPolarHBondContact CB-OG 3.35Å; W250-S258 PolarHBondContact O-N 3.28Å; W250-S258 PolarHBondContact O-OG 2.95Å; W250-S258 VanDerWaalsContact O-OG 3.08Å; S258-L270 CarbonylContact O-C 3.59Å; S258-L270 WeakPolarHBondContact O-CA 3.21Å; S258-H271 VanDerWaalsContact CA-O 3.3Å; S258-H271 WeakPolarHBondContact CA-O 3.26Å; S258-H271 VanDerWaalsContact CB-O 3.23Å; S258-H271 WeakPolarHBondContact CB-O 3.34Å; S258-H271 PolarHBondContact O-CD2 2.92Å; S258-H271 VanDerWaalsContact O-CD2 3.27Å; S258-H271 PolarHBondContact O-N 3.42Å
259	W	97.5	Very high	95.2	Very high	7 Å²	7	33.6 Å²	33.6	3%	0.027	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	135.7	-179.8	-63.4	94.4	0	0	0	111.5	V236 T238 P245 P247 N248 W250 S257 C268 Y269 L270 L320	V236-W259 HydrophobicContact CG1-CH2 3.99Å; V236-W259 HydrophobicContact CG1-CZ3 4.35Å; T238-W259 HydrophobicContact CG2-CE3 3.83Å; T238-W259 HydrophobicContact CG2-CH2 3.73Å; T238-W259 HydrophobicContact CG2-CZ2 4.42Å; T238-W259 HydrophobicContact CG2-CZ3 3.39Å; P245-W259 WeakPolarHBondContact O-CB 3.39Å; P247-W259 VanDerWaalsContact CD-CG 3.41Å; P247-W259 HydrophobicContact CG-CB 4.42Å; P247-W259 HydrophobicContact CG-CD2 3.65Å; P247-W259 HydrophobicContact CG-CE3 3.95Å; P247-W259 HydrophobicContact CG-CG 3.87Å; P247-W259 HydrophobicContact CG-CZ2 4.44Å; P247-W259 HydrophobicContact CG-CZ3 4.48Å; N248-W259 PolarHBondContact OD1-NE1 2.68Å; W250-W259 AromaticContact CE3-CZ2 3.89Å; W250-W259 HydrophobicContact CE3-CZ2 3.89Å; W250-W259 AromaticContact CE3-NE1 3.91Å; W250-W259 AromaticContact CZ3-CZ2 3.89Å; W250-W259 HydrophobicContact CZ3-CZ2 3.89Å; S257-W259 PolarHBondContact O-N 3.08Å; S257-W259 PolarHBondContact OG-N 2.93Å; W259-C268 HydrophobicContact CB-CB 4.31Å; W259-C268 HydrophobicContact CE3-CB 3.93Å; W259-Y269 WeakPolarHBondContact CA-O 3.36Å; W259-Y269 VanDerWaalsContact CE3-C 3.45Å; W259-L270 HydrophobicContact CD2-CD1 4.19Å; W259-L270 HydrophobicContact CE3-CB 4.16Å; W259-L270 HydrophobicContact CH2-CB 4Å; W259-L270 HydrophobicContact CH2-CD1 4.22Å; W259-L270 HydrophobicContact CZ2-CB 4.49Å; W259-L270 HydrophobicContact CZ2-CD1 3.85Å; W259-L270 HydrophobicContact CZ3-CB 3.82Å; W259-L320 HydrophobicContact CH2-CD1 4.39Å; W259-L320 HydrophobicContact CH2-CD2 4.24Å; W259-L320 HydrophobicContact CZ2-CD2 4.12Å
260	T	97.3	Very high	95.4	Very high	35 Å²	35	32.1 Å²	32.1	22%	0.215	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	132.6	173.7	-69.5	0	0	0	0	110.4	C268 Y269 H271 K275	T260-C268 CarbonylContact O-C 3.54Å; T260-C268 VanDerWaalsContact O-CA 3.24Å; T260-C268 WeakPolarHBondContact O-CA 3.45Å; T260-Y269 HydrophobicContact CG2-CE1 3.66Å; T260-Y269 VanDerWaalsContact CG2-OH 3.29Å; T260-Y269 WeakPolarHBondContact CG2-OH 3.44Å; T260-Y269 PolarHBondContact N-O 3.26Å; T260-Y269 VanDerWaalsContact N-O 3.09Å; T260-Y269 WeakPolarHBondContact O-CD1 3.15Å; T260-Y269 WeakPolarHBondContact O-CE1 3.48Å; T260-Y269 PolarHBondContact O-N 2.83Å; T260-H271 PolarHBondContact OG1-CD2 3.27Å; T260-H271 PolarHBondContact OG1-NE2 2.69Å; T260-K275 WeakPolarHBondContact OG1-CB 3.38Å
261	Y	98	Very high	95.4	Very high	55 Å²	55	32.4 Å²	32.4	22%	0.216	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	130	174.7	-175	-106.9	0	0	0	111.6	C240 P242 E263	C240-Y261 VanDerWaalsContact SG-CD2 3.57Å; P242-Y261 HydrophobicContact CB-CD1 4.03Å; P242-Y261 HydrophobicContact CB-CD2 4.38Å; P242-Y261 HydrophobicContact CB-CE1 3.7Å; P242-Y261 HydrophobicContact CB-CE2 4.07Å; P242-Y261 HydrophobicContact CB-CG 4.36Å; Y261-E263 HydrophobicContact CD1-CG 4.37Å; Y261-E263 VanDerWaalsContact CE1-CD 3.47Å; Y261-E263 HydrophobicContact CE1-CG 4.25Å; Y261-E263 WeakPolarHBondContact CE1-OE2 3.22Å
262	D	98.1	Very high	95.5	Very high	14 Å²	14	32.1 Å²	32.1	8%	0.075	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	116.6	171.4	-177.5	-83.5	0	0	0	110.2	R225 W237 V264 R265 G266 Q267 Y269	R225-D262 IonicContact NH1-OD2 3.85Å; R225-D262 PolarHBondContact NH1-OD2 3.48Å; W237-D262 HydrophobicContact CH2-CB 3.68Å; W237-D262 HydrophobicContact CZ3-CB 3.64Å; D262-V264 PolarHBondContact O-N 2.99Å; D262-V264 WeakPolarHBondContact OD1-CA 3.32Å; D262-V264 VanDerWaalsContact OD1-CB 3.28Å; D262-V264 WeakPolarHBondContact OD1-CB 3.48Å; D262-V264 PolarHBondContact OD1-N 3.26Å; D262-R265 HydrophobicContact CB-CB 4.26Å; D262-R265 PolarHBondContact O-N 3.16Å; D262-R265 WeakPolarHBondContact OD1-CB 3.14Å; D262-R265 PolarHBondContact OD1-N 3.32Å; D262-G266 WeakPolarHBondContact O-CA 3.31Å; D262-G266 PolarHBondContact O-N 3.1Å; D262-Q267 PolarHBondContact N-O 3.46Å; D262-Y269 HydrophobicContact CB-CD1 4.16Å; D262-Y269 HydrophobicContact CB-CE1 4.28Å
263	E	96.8	Very high	95.5	Very high	150 Å²	150	33 Å²	33	70%	0.701	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.1	-178.3	-66.2	-70.3	170.4	0	0	113.5	Y261	Y261-E263 HydrophobicContact CD1-CG 4.37Å; Y261-E263 VanDerWaalsContact CE1-CD 3.47Å; Y261-E263 HydrophobicContact CE1-CG 4.25Å; Y261-E263 WeakPolarHBondContact CE1-OE2 3.22Å
264	V	97.6	Very high	95.6	Very high	97 Å²	97	32.3 Å²	32.3	59%	0.588	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-43.9	-178.9	-179.8	0	0	0	0	110.1	R225 T226 D262	R225-V264 HydrophobicContact CG-CG1 4.5Å; T226-V264 HydrophobicContact CG2-CG1 4.12Å; D262-V264 PolarHBondContact O-N 2.99Å; D262-V264 WeakPolarHBondContact OD1-CA 3.32Å; D262-V264 VanDerWaalsContact OD1-CB 3.28Å; D262-V264 WeakPolarHBondContact OD1-CB 3.48Å; D262-V264 PolarHBondContact OD1-N 3.26Å
265	R	97.9	Very high	96.1	Very high	17 Å²	17	35 Å²	35	6%	0.064	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-29.6	-179.6	-172.3	69.2	-177.8	-141.7	-10.1	112.3	S224 R225 R227 K232 W237 D262 Q267	S224-R265 PolarHBondContact O-NH1 3.21Å; R225-R265 HydrophobicContact CB-CB 4.47Å; R225-R265 WeakPolarHBondContact O-CA 3.29Å; R225-R265 WeakPolarHBondContact O-CB 3.26Å; R225-R265 VanDerWaalsContact O-CD 3.24Å; R225-R265 WeakPolarHBondContact O-CD 3.11Å; R227-R265 VanDerWaalsContact CG-CZ 3.5Å; R227-R265 VanDerWaalsContact CG-NH1 3.25Å; R227-R265 PolarHBondContact NH2-O 3.23Å; R227-R265 VanDerWaalsContact NH2-O 3.12Å; K232-R265 PolarHBondContact O-NH1 2.93Å; K232-R265 PolarHBondContact O-NH2 3.3Å; K232-R265 VanDerWaalsContact O-NH2 3.07Å; W237-R265 HydrophobicContact CD2-CG 3.94Å; W237-R265 HydrophobicContact CE3-CB 4.24Å; W237-R265 HydrophobicContact CE3-CG 3.69Å; W237-R265 HydrophobicContact CH2-CB 3.94Å; W237-R265 HydrophobicContact CH2-CG 4.09Å; W237-R265 HydrophobicContact CZ2-CG 4.32Å; W237-R265 HydrophobicContact CZ3-CB 3.78Å; W237-R265 HydrophobicContact CZ3-CG 3.76Å; D262-R265 HydrophobicContact CB-CB 4.26Å; D262-R265 PolarHBondContact O-N 3.16Å; D262-R265 WeakPolarHBondContact OD1-CB 3.14Å; D262-R265 PolarHBondContact OD1-N 3.32Å; R265-Q267 HydrophobicContact CG-CB 3.88Å; R265-Q267 HydrophobicContact CG-CG 4.14Å
266	G	97.4	Very high	96.6	Very high	35 Å²	35	35.6 Å²	35.6	36%	0.361	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	31.5	-172	0	0	0	0	0	112.9	D262	D262-G266 WeakPolarHBondContact O-CA 3.31Å; D262-G266 PolarHBondContact O-N 3.1Å
267	Q	97.9	Very high	97	Very high	20 Å²	20	32 Å²	32	9%	0.093	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	162.1	-174	-67.8	-171.3	-73	0	0	110.1	R227 W237 T238 D239 D262 R265	R227-Q267 VanDerWaalsContact NH2-OE1 3.12Å; W237-Q267 HydrophobicContact CE3-CB 3.82Å; W237-Q267 HydrophobicContact CZ3-CB 4.44Å; T238-Q267 WeakPolarHBondContact O-CB 3.28Å; D239-Q267 PolarHBondContact OD1-NE2 2.86Å; D262-Q267 PolarHBondContact N-O 3.46Å; R265-Q267 HydrophobicContact CG-CB 3.88Å; R265-Q267 HydrophobicContact CG-CG 4.14Å
268	C	98.3	Very high	97.2	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	141.9	168.6	-73.8	0	0	0	0	110.6	W237 T238 C240 P245 P247 W259 T260	W237-C268 CarbonylContact C-O 3.14Å; W237-C268 WeakPolarHBondContact CA-O 3.48Å; T238-C268 HydrophobicContact CG2-CB 4.3Å; T238-C268 PolarHBondContact N-O 2.6Å; T238-C268 PolarHBondContact O-N 3.15Å; C240-C268 HydrophobicContact CB-CB 3.81Å; C240-C268 WeakPolarHBondContact CB-SG 3.31Å; C240-C268 WeakPolarHBondContact SG-CB 3.48Å; C240-C268 PolarHBondContact SG-N 3.4Å; C240-C268 CovalentContact SG-SG 2.02Å; C240-C268 PolarHBondContact SG-SG 2.7Å; P245-C268 WeakPolarHBondContact CB-SG 3.29Å; P247-C268 HydrophobicContact CG-CB 4.19Å; W259-C268 HydrophobicContact CB-CB 4.31Å; W259-C268 HydrophobicContact CE3-CB 3.93Å; T260-C268 CarbonylContact O-C 3.54Å; T260-C268 VanDerWaalsContact O-CA 3.24Å; T260-C268 WeakPolarHBondContact O-CA 3.45Å
269	Y	98.6	Very high	97.3	Very high	14 Å²	14	30.9 Å²	30.9	6%	0.055	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	150.2	166.6	63.8	-86.6	0	0	0	111	F221 V236 W237 W259 T260 D262 H271 K275 P278	F221-Y269 HydrophobicContact CE2-CD1 4.29Å; F221-Y269 HydrophobicContact CE2-CD2 4.16Å; F221-Y269 AromaticContact CE2-CG 3.99Å; F221-Y269 HydrophobicContact CE2-CG 3.99Å; F221-Y269 AromaticContact CZ-CD1 3.8Å; F221-Y269 HydrophobicContact CZ-CD1 3.8Å; F221-Y269 HydrophobicContact CZ-CD2 4.18Å; F221-Y269 AromaticContact CZ-CE1 3.87Å; F221-Y269 HydrophobicContact CZ-CE1 3.87Å; F221-Y269 HydrophobicContact CZ-CE2 4.25Å; F221-Y269 AromaticContact CZ-CG 3.95Å; F221-Y269 HydrophobicContact CZ-CG 3.95Å; V236-Y269 VanDerWaalsContact O-CA 3.28Å; V236-Y269 WeakPolarHBondContact O-CA 3.47Å; W237-Y269 AromaticContact CH2-CD1 3.83Å; W237-Y269 HydrophobicContact CH2-CD1 3.83Å; W237-Y269 HydrophobicContact CH2-CG 4.22Å; W237-Y269 AromaticContact CZ3-CD1 3.74Å; W237-Y269 HydrophobicContact CZ3-CD1 3.74Å; W237-Y269 HydrophobicContact CZ3-CG 4.16Å; W259-Y269 WeakPolarHBondContact CA-O 3.36Å; W259-Y269 VanDerWaalsContact CE3-C 3.45Å; T260-Y269 HydrophobicContact CG2-CE1 3.66Å; T260-Y269 VanDerWaalsContact CG2-OH 3.29Å; T260-Y269 WeakPolarHBondContact CG2-OH 3.44Å; T260-Y269 PolarHBondContact N-O 3.26Å; T260-Y269 VanDerWaalsContact N-O 3.09Å; T260-Y269 WeakPolarHBondContact O-CD1 3.15Å; T260-Y269 WeakPolarHBondContact O-CE1 3.48Å; T260-Y269 PolarHBondContact O-N 2.83Å; D262-Y269 HydrophobicContact CB-CD1 4.16Å; D262-Y269 HydrophobicContact CB-CE1 4.28Å; Y269-H271 AromaticContact CE2-CD2 3.91Å; Y269-K275 WeakPolarHBondContact CE2-O 3.37Å; Y269-K275 PolarHBondContact OH-O 3.21Å; Y269-P278 HydrophobicContact CD2-CB 3.69Å; Y269-P278 HydrophobicContact CE2-CB 3.94Å
270	L	98.5	Very high	97.4	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	143	175.9	-174.7	67.9	0	0	0	111.3	V236 W250 S258 W259 D279 E316	V236-L270 HydrophobicContact CB-CB 3.84Å; V236-L270 HydrophobicContact CB-CD2 4.3Å; V236-L270 HydrophobicContact CG1-CB 4.04Å; V236-L270 HydrophobicContact CG1-CD2 4.26Å; V236-L270 HydrophobicContact CG2-CD2 4.38Å; V236-L270 PolarHBondContact O-N 2.81Å; W250-L270 HydrophobicContact CE3-CD1 3.77Å; W250-L270 HydrophobicContact CZ3-CD1 4.06Å; W250-L270 HydrophobicContact CZ3-CD2 4.3Å; S258-L270 CarbonylContact O-C 3.59Å; S258-L270 WeakPolarHBondContact O-CA 3.21Å; W259-L270 HydrophobicContact CD2-CD1 4.19Å; W259-L270 HydrophobicContact CE3-CB 4.16Å; W259-L270 HydrophobicContact CH2-CB 4Å; W259-L270 HydrophobicContact CH2-CD1 4.22Å; W259-L270 HydrophobicContact CZ2-CB 4.49Å; W259-L270 HydrophobicContact CZ2-CD1 3.85Å; W259-L270 HydrophobicContact CZ3-CB 3.82Å; L270-D279 HydrophobicContact CD2-CB 4.4Å; L270-D279 HydrophobicContact CG-CB 4.5Å; L270-D279 WeakPolarHBondContact CG-OD2 3.17Å; L270-D279 PolarHBondContact O-N 2.88Å; L270-E316 VanDerWaalsContact CD2-CD 3.48Å; L270-E316 HydrophobicContact CD2-CG 3.79Å
271	H	97.8	Very high	97.4	Very high	9 Å²	9	30.8 Å²	30.8	4%	0.042	16%	0.157	C	C	.	.			trans	-147.6	114.7	165.9	58.2	87.7	0	0	0	110.2	S257 S258 T260 Y269 F273 L274 K275 Q277 D279	S257-H271 PolarHBondContact O-CE1 3.09Å; S257-H271 VanDerWaalsContact O-CE1 3.22Å; S258-H271 VanDerWaalsContact CA-O 3.3Å; S258-H271 WeakPolarHBondContact CA-O 3.26Å; S258-H271 VanDerWaalsContact CB-O 3.23Å; S258-H271 WeakPolarHBondContact CB-O 3.34Å; S258-H271 PolarHBondContact O-CD2 2.92Å; S258-H271 VanDerWaalsContact O-CD2 3.27Å; S258-H271 PolarHBondContact O-N 3.42Å; T260-H271 PolarHBondContact OG1-CD2 3.27Å; T260-H271 PolarHBondContact OG1-NE2 2.69Å; Y269-H271 AromaticContact CE2-CD2 3.91Å; H271-F273 PolarHBondContact ND1-O 3.13Å; H271-F273 VanDerWaalsContact ND1-O 3.14Å; H271-F273 PolarHBondContact O-N 2.76Å; H271-L274 WeakPolarHBondContact CB-O 3.38Å; H271-K275 PolarHBondContact ND1-N 3.48Å; H271-Q277 WeakPolarHBondContact CB-O 3.17Å; H271-D279 WeakPolarHBondContact CA-OD2 3.35Å
272	Q	96.9	Very high	97.4	Very high	5 Å²	5	28.5 Å²	28.5	2%	0.023	15%	0.148	C	C	.	.	S	Bend	trans	-69.1	-28.3	176.1	-64.8	-101.8	26.4	0	0	111.6	S252 I253 D279 H313 E316 T346	S252-Q272 WeakPolarHBondContact CA-O 3.34Å; S252-Q272 PolarHBondContact OG-O 3.45Å; I253-Q272 PolarHBondContact N-O 3.06Å; Q272-D279 WeakPolarHBondContact CG-OD2 3.14Å; Q272-D279 PolarHBondContact N-OD2 2.86Å; Q272-H313 HydrophobicContact CB-CB 4.48Å; Q272-H313 HydrophobicContact CG-CB 4.28Å; Q272-H313 PolarHBondContact OE1-ND1 3.03Å; Q272-E316 PolarHBondContact NE2-OE1 2.91Å; Q272-T346 PolarHBondContact NE2-O 2.96Å
273	F	94	Very high	97.4	Very high	23 Å²	23	33.6 Å²	33.6	10%	0.101	17%	0.167	C	C	.	.	S	Bend	trans	-107.5	-128.9	-179.7	-59.8	-89.4	0	0	0	110.5	H213 S252 I253 F254 H271 Q277 A310	H213-F273 AromaticContact CE1-CD2 3.38Å; H213-F273 WeakPolarHBondContact CE1-CD2 3.42Å; H213-F273 AromaticContact CE1-CE2 3.63Å; H213-F273 AromaticContact ND1-CD2 3.39Å; H213-F273 WeakPolarHBondContact ND1-CD2 3.08Å; H213-F273 AromaticContact ND1-CE2 3.68Å; S252-F273 PolarHBondContact OG-O 3.05Å; I253-F273 HydrophobicContact CB-CD1 4.48Å; I253-F273 HydrophobicContact CD1-CD1 3.84Å; I253-F273 HydrophobicContact CD1-CE1 3.4Å; I253-F273 HydrophobicContact CD1-CE2 4.35Å; I253-F273 HydrophobicContact CD1-CG 4.49Å; I253-F273 HydrophobicContact CD1-CZ 3.67Å; F254-F273 HydrophobicContact CD2-CB 4.19Å; F254-F273 HydrophobicContact CE2-CB 3.92Å; F254-F273 AromaticContact CE2-CD1 3.96Å; F254-F273 HydrophobicContact CE2-CD1 3.96Å; F254-F273 HydrophobicContact CE2-CG 4.45Å; F254-F273 HydrophobicContact CZ-CD1 4.25Å; H271-F273 PolarHBondContact ND1-O 3.13Å; H271-F273 VanDerWaalsContact ND1-O 3.14Å; H271-F273 PolarHBondContact O-N 2.76Å; F273-Q277 HydrophobicContact CB-CB 4.34Å; F273-Q277 VanDerWaalsContact CB-OE1 3.22Å; F273-A310 HydrophobicContact CE2-CB 4.01Å; F273-A310 HydrophobicContact CZ-CB 3.58Å
274	L	93.7	Very high	97.4	Very high	26 Å²	26	27.6 Å²	27.6	14%	0.136	14%	0.139	C	C	.	.			trans	-72.3	154.5	177.3	-58.9	171.7	0	0	0	111.1	K168 D169 F254 H271 E276 Q277 P496	K168-L274 HydrophobicContact CB-CD1 4.48Å; D169-L274 HydrophobicContact CB-CD1 4.24Å; F254-L274 HydrophobicContact CB-CD2 4.34Å; F254-L274 HydrophobicContact CD2-CD2 3.53Å; F254-L274 HydrophobicContact CD2-CG 3.69Å; F254-L274 HydrophobicContact CE2-CD2 4.16Å; F254-L274 HydrophobicContact CE2-CG 3.89Å; F254-L274 HydrophobicContact CG-CD2 4.22Å; H271-L274 WeakPolarHBondContact CB-O 3.38Å; L274-E276 PolarHBondContact O-N 3.11Å; L274-E276 VanDerWaalsContact O-N 3.14Å; L274-Q277 HydrophobicContact CB-CG 4.4Å; L274-Q277 VanDerWaalsContact CG-OE1 3.24Å; L274-Q277 WeakPolarHBondContact O-CA 3.33Å; L274-Q277 WeakPolarHBondContact O-CB 3.16Å; L274-Q277 PolarHBondContact O-N 3.44Å; L274-P496 HydrophobicContact CD1-CB 4.08Å; L274-P496 HydrophobicContact CD1-CG 4.09Å; L274-P496 HydrophobicContact CD2-CB 4.32Å
275	K	95.3	Very high	97.5	Very high	111 Å²	111	27.4 Å²	27.4	48%	0.483	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-27.4	171.2	66.3	179.5	-177.8	-179.5	0	113	T260 Y269 H271 Q277	T260-K275 WeakPolarHBondContact OG1-CB 3.38Å; Y269-K275 WeakPolarHBondContact CE2-O 3.37Å; Y269-K275 PolarHBondContact OH-O 3.21Å; H271-K275 PolarHBondContact ND1-N 3.48Å; K275-Q277 PolarHBondContact O-N 3.21Å
276	E	96.8	Very high	97.5	Very high	30 Å²	30	30.4 Å²	30.4	14%	0.14	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-1.7	173.7	-67.2	96.9	154.8	0	0	113.8	K168 S215 D216 L274 P278	K168-E276 HydrophobicContact CB-CB 4.28Å; K168-E276 HydrophobicContact CD-CG 4.33Å; K168-E276 HydrophobicContact CG-CB 4.06Å; K168-E276 HydrophobicContact CG-CG 4.1Å; K168-E276 IonicContact NZ-OE1 2.74Å; K168-E276 PolarHBondContact NZ-OE1 3.27Å; S215-E276 CarbonylContact C-O 3.27Å; S215-E276 WeakPolarHBondContact CA-O 3.48Å; D216-E276 PolarHBondContact N-O 3.5Å; L274-E276 PolarHBondContact O-N 3.11Å; L274-E276 VanDerWaalsContact O-N 3.14Å; E276-P278 VanDerWaalsContact O-CD 3.31Å; E276-P278 WeakPolarHBondContact O-CD 3.4Å
277	Q	98	Very high	97.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-116.9	66.1	177.8	-68.2	165.9	-65.6	0	0	111	D169 D173 H213 T214 H271 F273 L274 K275 D279	D169-Q277 PolarHBondContact OD2-NE2 3.31Å; D173-Q277 HydrophobicContact CB-CG 3.9Å; H213-Q277 HydrophobicContact CB-CB 4.39Å; H213-Q277 PolarHBondContact NE2-NE2 3.05Å; T214-Q277 CarbonylContact O-C 3.51Å; T214-Q277 WeakPolarHBondContact O-CA 3.48Å; H271-Q277 WeakPolarHBondContact CB-O 3.17Å; F273-Q277 HydrophobicContact CB-CB 4.34Å; F273-Q277 VanDerWaalsContact CB-OE1 3.22Å; L274-Q277 HydrophobicContact CB-CG 4.4Å; L274-Q277 VanDerWaalsContact CG-OE1 3.24Å; L274-Q277 WeakPolarHBondContact O-CA 3.33Å; L274-Q277 WeakPolarHBondContact O-CB 3.16Å; L274-Q277 PolarHBondContact O-N 3.44Å; K275-Q277 PolarHBondContact O-N 3.21Å; Q277-D279 PolarHBondContact O-N 3.04Å
278	P	98.6	Very high	97.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-61.7	133.2	176.7	27.2	-37.7	0	0	0	112.2	H213 T214 D216 F221 Y235 Y269 E276	H213-P278 WeakPolarHBondContact CB-O 3.41Å; T214-P278 PolarHBondContact N-O 2.91Å; T214-P278 WeakPolarHBondContact O-CD 3.4Å; D216-P278 HydrophobicContact CB-CG 4.35Å; F221-P278 HydrophobicContact CB-CG 4.42Å; F221-P278 HydrophobicContact CD1-CG 4.39Å; F221-P278 HydrophobicContact CD2-CB 3.63Å; F221-P278 HydrophobicContact CD2-CG 3.5Å; F221-P278 HydrophobicContact CE2-CB 3.46Å; F221-P278 VanDerWaalsContact CE2-CB 3.46Å; F221-P278 HydrophobicContact CE2-CG 3.74Å; F221-P278 HydrophobicContact CG-CB 4.46Å; F221-P278 HydrophobicContact CG-CG 3.86Å; F221-P278 HydrophobicContact CZ-CB 4.18Å; F221-P278 HydrophobicContact CZ-CG 4.27Å; Y235-P278 HydrophobicContact CD1-CB 3.71Å; Y235-P278 HydrophobicContact CD1-CG 4.1Å; Y235-P278 HydrophobicContact CE1-CB 3.95Å; Y235-P278 HydrophobicContact CE1-CG 3.81Å; Y235-P278 WeakPolarHBondContact CE1-O 3.34Å; Y269-P278 HydrophobicContact CD2-CB 3.69Å; Y269-P278 HydrophobicContact CE2-CB 3.94Å; E276-P278 VanDerWaalsContact O-CD 3.31Å; E276-P278 WeakPolarHBondContact O-CD 3.4Å
279	D	98.8	Very high	97.6	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-76.2	137	-176.3	-65.9	-31	0	0	0	112.5	N212 Y235 V236 L270 H271 Q272 Q277	N212-D279 PolarHBondContact ND2-OD1 2.76Å; Y235-D279 WeakPolarHBondContact CA-O 3.3Å; Y235-D279 VanDerWaalsContact CD1-O 3.26Å; Y235-D279 WeakPolarHBondContact CD1-O 3.43Å; V236-D279 PolarHBondContact N-O 3.17Å; L270-D279 HydrophobicContact CD2-CB 4.4Å; L270-D279 HydrophobicContact CG-CB 4.5Å; L270-D279 WeakPolarHBondContact CG-OD2 3.17Å; L270-D279 PolarHBondContact O-N 2.88Å; H271-D279 WeakPolarHBondContact CA-OD2 3.35Å; Q272-D279 WeakPolarHBondContact CG-OD2 3.14Å; Q272-D279 PolarHBondContact N-OD2 2.86Å; Q277-D279 PolarHBondContact O-N 3.04Å
280	L	98.8	Very high	97.5	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-71.2	137.8	174.8	-74	168.4	0	0	0	110.1	N212 T214 W220 Y234 Y235 L282 V287 I291	N212-L280 WeakPolarHBondContact O-CB 3.4Å; N212-L280 PolarHBondContact O-N 3.07Å; T214-L280 HydrophobicContact CG2-CD1 3.89Å; T214-L280 HydrophobicContact CG2-CD2 3.86Å; T214-L280 HydrophobicContact CG2-CG 3.94Å; W220-L280 HydrophobicContact CE3-CD2 3.91Å; W220-L280 HydrophobicContact CZ3-CD1 4.37Å; W220-L280 HydrophobicContact CZ3-CD2 4.13Å; Y234-L280 WeakPolarHBondContact O-CA 3.31Å; Y235-L280 HydrophobicContact CE1-CD2 4.06Å; L280-L282 VanDerWaalsContact C-N 3.34Å; L280-L282 HydrophobicContact CB-CG 4.37Å; L280-L282 PolarHBondContact O-N 3.15Å; L280-V287 HydrophobicContact CB-CG1 3.98Å; L280-V287 HydrophobicContact CD1-CG1 4.42Å; L280-V287 HydrophobicContact CD2-CG1 4.02Å; L280-V287 HydrophobicContact CG-CG1 4.37Å; L280-I291 HydrophobicContact CD1-CD1 3.98Å
281	N	98.6	Very high	97.5	Very high	37 Å²	37	33.7 Å²	33.7	20%	0.198	17%	0.165	C	C	.	.			trans	-79.3	84.3	173.6	177.5	17	0	0	0	110.1	D233 Y234 V236 R283 N284	D233-N281 WeakPolarHBondContact O-CB 3.49Å; D233-N281 PolarHBondContact O-ND2 2.86Å; Y234-N281 PolarHBondContact O-N 3.27Å; V236-N281 HydrophobicContact CG2-CB 4.09Å; N281-R283 PolarHBondContact O-N 2.79Å; N281-R283 VanDerWaalsContact O-N 3.09Å; N281-R283 WeakPolarHBondContact OD1-CB 3.4Å; N281-R283 PolarHBondContact OD1-N 2.94Å; N281-N284 VanDerWaalsContact O-CB 3.27Å; N281-N284 WeakPolarHBondContact O-CB 3.47Å; N281-N284 PolarHBondContact O-N 2.87Å
282	L	98.1	Very high	97.6	Very high	7 Å²	7	33.9 Å²	33.9	4%	0.037	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	1.9	-179	-72	173	0	0	0	114	L280 N284 V287 V288 I291 M314 L315 M355	L280-L282 VanDerWaalsContact C-N 3.34Å; L280-L282 HydrophobicContact CB-CG 4.37Å; L280-L282 PolarHBondContact O-N 3.15Å; L282-N284 VanDerWaalsContact C-N 3.31Å; L282-V287 HydrophobicContact CD2-CG1 3.94Å; L282-V288 HydrophobicContact CD2-CG2 4.36Å; L282-V288 WeakPolarHBondContact O-CG2 3.23Å; L282-I291 HydrophobicContact CD2-CG1 4.28Å; L282-M314 HydrophobicContact CD1-CB 3.62Å; L282-M314 HydrophobicContact CD1-CE 3.72Å; L282-M314 HydrophobicContact CD1-CG 3.92Å; L282-M314 VanDerWaalsContact CD1-O 3.28Å; L282-M314 WeakPolarHBondContact CD1-O 3.29Å; L282-L315 HydrophobicContact CB-CD2 3.97Å; L282-M355 HydrophobicContact CB-CE 3.91Å; L282-M355 HydrophobicContact CB-SD 4.09Å; L282-M355 HydrophobicContact CD1-SD 4.05Å; L282-M355 HydrophobicContact CD2-SD 3.99Å; L282-M355 HydrophobicContact CG-SD 4.28Å; L282-M355 WeakPolarHBondContact O-CE 3.2Å
283	R	96.8	Very high	97.7	Very high	122 Å²	122	36.8 Å²	36.8	46%	0.46	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-13.5	165.1	-57	-173.7	176.1	-74	-2.5	112.6	N281 L315 E316	N281-R283 PolarHBondContact O-N 2.79Å; N281-R283 VanDerWaalsContact O-N 3.09Å; N281-R283 WeakPolarHBondContact OD1-CB 3.4Å; N281-R283 PolarHBondContact OD1-N 2.94Å; R283-L315 HydrophobicContact CG-CD2 4.02Å; R283-E316 PolarHBondContact NE-O 3.31Å; R283-E316 PolarHBondContact NH2-O 3.45Å
284	N	98.2	Very high	97.9	Very high	23 Å²	23	35.9 Å²	35.9	12%	0.123	18%	0.178	C	C	.	.	S	Bend	trans	-84.8	117.6	175.2	-176.9	-8.9	0	0	0	109.8	D233 N281 L282 D286 V287 V288	D233-N284 PolarHBondContact O-ND2 3.47Å; N281-N284 VanDerWaalsContact O-CB 3.27Å; N281-N284 WeakPolarHBondContact O-CB 3.47Å; N281-N284 PolarHBondContact O-N 2.87Å; L282-N284 VanDerWaalsContact C-N 3.31Å; N284-D286 PolarHBondContact O-N 2.87Å; N284-D286 WeakPolarHBondContact OD1-CB 3.38Å; N284-D286 PolarHBondContact OD1-N 2.57Å; N284-V287 HydrophobicContact CB-CB 4.32Å; N284-V287 HydrophobicContact CB-CG2 3.83Å; N284-V287 WeakPolarHBondContact O-CB 3.48Å; N284-V287 PolarHBondContact O-N 3.13Å; N284-V288 PolarHBondContact O-N 2.56Å
285	P	97.8	Very high	98.1	Very high	94 Å²	94	34.6 Å²	34.6	61%	0.61	17%	0.171	S	C	*	.	H	α-helix	trans	-61.8	-27.5	-178.7	26.1	-35.3	0	0	0	113.4	V287 V288 Q289	P285-V287 VanDerWaalsContact C-N 3.3Å; P285-V287 PolarHBondContact O-N 2.73Å; P285-V288 PolarHBondContact O-N 2.9Å; P285-Q289 WeakPolarHBondContact O-CB 3.44Å; P285-Q289 PolarHBondContact O-N 3.1Å
286	D	98.4	Very high	98.3	Very high	80 Å²	80	30.2 Å²	30.2	43%	0.428	15%	0.154	S	C	.	.	H	α-helix	trans	-66	-36.1	176.8	-65.6	-18.1	0	0	0	111	Y234 N284 Q289 E290	Y234-D286 HydrophobicContact CE2-CB 4.09Å; N284-D286 PolarHBondContact O-N 2.87Å; N284-D286 WeakPolarHBondContact OD1-CB 3.38Å; N284-D286 PolarHBondContact OD1-N 2.57Å; D286-Q289 PolarHBondContact O-N 3.11Å; D286-E290 WeakPolarHBondContact O-CG 3.14Å; D286-E290 PolarHBondContact O-N 2.9Å
287	V	98.6	Very high	98.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-69.9	-44.1	176.6	179.8	0	0	0	0	110.6	Y234 L280 L282 N284 P285 Q289 E290 I291	Y234-V287 HydrophobicContact CD1-CG2 4.01Å; Y234-V287 HydrophobicContact CD2-CG2 3.82Å; Y234-V287 HydrophobicContact CE1-CG2 4.39Å; Y234-V287 HydrophobicContact CE2-CG2 4.21Å; Y234-V287 HydrophobicContact CG-CG2 3.71Å; L280-V287 HydrophobicContact CB-CG1 3.98Å; L280-V287 HydrophobicContact CD1-CG1 4.42Å; L280-V287 HydrophobicContact CD2-CG1 4.02Å; L280-V287 HydrophobicContact CG-CG1 4.37Å; L282-V287 HydrophobicContact CD2-CG1 3.94Å; N284-V287 HydrophobicContact CB-CB 4.32Å; N284-V287 HydrophobicContact CB-CG2 3.83Å; N284-V287 WeakPolarHBondContact O-CB 3.48Å; N284-V287 PolarHBondContact O-N 3.13Å; P285-V287 VanDerWaalsContact C-N 3.3Å; P285-V287 PolarHBondContact O-N 2.73Å; V287-Q289 VanDerWaalsContact C-N 3.27Å; V287-Q289 PolarHBondContact O-N 3.27Å; V287-E290 PolarHBondContact O-N 3.3Å; V287-I291 WeakPolarHBondContact O-CG1 3.46Å; V287-I291 PolarHBondContact O-N 2.82Å
288	V	98.3	Very high	98.4	Very high	15 Å²	15	31.1 Å²	31.1	9%	0.091	16%	0.158	C	C	.	.	H	α-helix	trans	-59.6	-41.7	176.5	179.2	0	0	0	0	110.7	L282 N284 P285 I291 I292 M355 F359	L282-V288 HydrophobicContact CD2-CG2 4.36Å; L282-V288 WeakPolarHBondContact O-CG2 3.23Å; N284-V288 PolarHBondContact O-N 2.56Å; P285-V288 PolarHBondContact O-N 2.9Å; V288-I291 PolarHBondContact O-N 3.21Å; V288-I292 HydrophobicContact CG1-CD1 4.17Å; V288-I292 WeakPolarHBondContact O-CG1 3.38Å; V288-I292 PolarHBondContact O-N 3.22Å; V288-M355 HydrophobicContact CG2-CE 3.6Å; V288-M355 HydrophobicContact CG2-SD 4.3Å; V288-F359 HydrophobicContact CG1-CE1 4.41Å
289	Q	98.4	Very high	98.4	Very high	95 Å²	95	31.2 Å²	31.2	44%	0.444	16%	0.158	S	C	.	.	H	α-helix	trans	-64.5	-41.7	176.4	-172.7	60.5	59.8	0	0	112.3	P285 D286 V287 I291 I292 D293	P285-Q289 WeakPolarHBondContact O-CB 3.44Å; P285-Q289 PolarHBondContact O-N 3.1Å; D286-Q289 PolarHBondContact O-N 3.11Å; V287-Q289 VanDerWaalsContact C-N 3.27Å; V287-Q289 PolarHBondContact O-N 3.27Å; Q289-I291 VanDerWaalsContact C-N 3.31Å; Q289-I291 PolarHBondContact O-N 3.33Å; Q289-I292 WeakPolarHBondContact O-CB 3.49Å; Q289-I292 PolarHBondContact O-N 3.44Å; Q289-D293 PolarHBondContact NE2-OD1 2.84Å; Q289-D293 VanDerWaalsContact O-CG 3.25Å; Q289-D293 PolarHBondContact O-N 2.97Å
290	E	98.4	Very high	98.4	Very high	29 Å²	29	37.8 Å²	37.8	14%	0.136	19%	0.189	C	C	.	.	H	α-helix	trans	-60.9	-40.3	175.2	-72.5	-92.4	-149.6	0	0	111.6	R178 W220 Y234 D286 V287 D293 L294	R178-E290 IonicContact NH2-OE2 2.79Å; W220-E290 HydrophobicContact CH2-CB 3.81Å; W220-E290 HydrophobicContact CH2-CG 4.5Å; W220-E290 HydrophobicContact CZ2-CB 3.89Å; W220-E290 HydrophobicContact CZ2-CG 4.12Å; Y234-E290 HydrophobicContact CE1-CG 4.16Å; Y234-E290 PolarHBondContact OH-OE1 2.73Å; D286-E290 WeakPolarHBondContact O-CG 3.14Å; D286-E290 PolarHBondContact O-N 2.9Å; V287-E290 PolarHBondContact O-N 3.3Å; E290-D293 PolarHBondContact O-N 2.9Å; E290-L294 VanDerWaalsContact O-CG 3.28Å; E290-L294 WeakPolarHBondContact O-CG 3.26Å; E290-L294 PolarHBondContact O-N 2.83Å
291	I	98.5	Very high	98.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.2	-44.3	174.7	-67.1	-60	0	0	0	111.5	F209 P211 L280 L282 V287 V288 Q289 D293 L294 I295 F359	F209-I291 HydrophobicContact CE1-CG2 3.71Å; F209-I291 HydrophobicContact CZ-CD1 4.42Å; F209-I291 HydrophobicContact CZ-CG2 3.87Å; P211-I291 HydrophobicContact CB-CG2 4.48Å; L280-I291 HydrophobicContact CD1-CD1 3.98Å; L282-I291 HydrophobicContact CD2-CG1 4.28Å; V287-I291 WeakPolarHBondContact O-CG1 3.46Å; V287-I291 PolarHBondContact O-N 2.82Å; V288-I291 PolarHBondContact O-N 3.21Å; Q289-I291 VanDerWaalsContact C-N 3.31Å; Q289-I291 PolarHBondContact O-N 3.33Å; I291-D293 VanDerWaalsContact C-N 3.32Å; I291-D293 PolarHBondContact O-N 3.1Å; I291-L294 HydrophobicContact CD1-CD1 4.32Å; I291-L294 WeakPolarHBondContact O-CB 3.24Å; I291-L294 PolarHBondContact O-N 2.91Å; I291-I295 HydrophobicContact CG2-CD1 4.25Å; I291-I295 WeakPolarHBondContact O-CG1 3.29Å; I291-I295 PolarHBondContact O-N 3.41Å; I291-F359 HydrophobicContact CB-CE1 4.46Å; I291-F359 HydrophobicContact CB-CZ 4.33Å; I291-F359 HydrophobicContact CG2-CE1 3.73Å; I291-F359 HydrophobicContact CG2-CE2 4.04Å; I291-F359 HydrophobicContact CG2-CZ 3.41Å; I291-F359 VanDerWaalsContact CG2-CZ 3.41Å
292	I	98.6	Very high	98.3	Very high	12 Å²	12	39 Å²	39	6%	0.062	19%	0.194	C	C	.	.	H	α-helix	trans	-59.5	-44.4	174.9	-72.9	167.5	0	0	0	110.9	V288 Q289 L294 I295 S296 E358 F359 V362	V288-I292 HydrophobicContact CG1-CD1 4.17Å; V288-I292 WeakPolarHBondContact O-CG1 3.38Å; V288-I292 PolarHBondContact O-N 3.22Å; Q289-I292 WeakPolarHBondContact O-CB 3.49Å; Q289-I292 PolarHBondContact O-N 3.44Å; I292-L294 VanDerWaalsContact C-N 3.28Å; I292-L294 PolarHBondContact O-N 3.36Å; I292-I295 WeakPolarHBondContact O-CB 3.47Å; I292-I295 PolarHBondContact O-N 3.23Å; I292-S296 PolarHBondContact O-N 3.1Å; I292-S296 PolarHBondContact O-OG 3.29Å; I292-E358 HydrophobicContact CD1-CG 3.91Å; I292-F359 HydrophobicContact CG1-CD1 4.01Å; I292-F359 HydrophobicContact CG1-CE1 4.09Å; I292-V362 HydrophobicContact CG1-CG2 4.34Å; I292-V362 HydrophobicContact CG2-CG1 4.25Å; I292-V362 HydrophobicContact CG2-CG2 3.74Å
293	D	98.8	Very high	98.4	Very high	66 Å²	66	38.7 Å²	38.7	35%	0.353	19%	0.192	S	C	.	.	H	α-helix	trans	-63.9	-34.3	179.1	-68.8	-6.6	0	0	0	111.7	Q289 E290 I291 F297	Q289-D293 PolarHBondContact NE2-OD1 2.84Å; Q289-D293 VanDerWaalsContact O-CG 3.25Å; Q289-D293 PolarHBondContact O-N 2.97Å; E290-D293 PolarHBondContact O-N 2.9Å; I291-D293 VanDerWaalsContact C-N 3.32Å; I291-D293 PolarHBondContact O-N 3.1Å; D293-F297 WeakPolarHBondContact O-CB 3.46Å; D293-F297 PolarHBondContact O-N 3.16Å
294	L	98.6	Very high	98.4	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-67.6	-43.1	173.3	-69.4	174.7	0	0	0	112.3	F177 R178 F209 W220 E290 I291 I292 S296 F297 W298	F177-L294 HydrophobicContact CB-CD1 3.58Å; F177-L294 HydrophobicContact CB-CD2 3.55Å; F177-L294 HydrophobicContact CB-CG 4.13Å; F177-L294 HydrophobicContact CD1-CD1 4.26Å; F177-L294 HydrophobicContact CD2-CD1 3.79Å; F177-L294 HydrophobicContact CG-CD1 3.63Å; R178-L294 HydrophobicContact CG-CD2 3.55Å; F209-L294 HydrophobicContact CE2-CB 4.03Å; F209-L294 HydrophobicContact CZ-CB 4.16Å; W220-L294 HydrophobicContact CH2-CD1 3.96Å; E290-L294 VanDerWaalsContact O-CG 3.28Å; E290-L294 WeakPolarHBondContact O-CG 3.26Å; E290-L294 PolarHBondContact O-N 2.83Å; I291-L294 HydrophobicContact CD1-CD1 4.32Å; I291-L294 WeakPolarHBondContact O-CB 3.24Å; I291-L294 PolarHBondContact O-N 2.91Å; I292-L294 VanDerWaalsContact C-N 3.28Å; I292-L294 PolarHBondContact O-N 3.36Å; L294-S296 VanDerWaalsContact C-N 3.35Å; L294-F297 PolarHBondContact O-N 3.09Å; L294-W298 VanDerWaalsContact O-CD1 3.26Å; L294-W298 PolarHBondContact O-N 2.91Å
295	I	98.7	Very high	98.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.6	-49.7	173.7	-69.1	168.7	0	0	0	109.6	F209 I291 I292 F297 W298 L299 F306 M308 F359 M363	F209-I295 HydrophobicContact CD1-CG1 4.37Å; F209-I295 HydrophobicContact CE1-CD1 4.05Å; F209-I295 HydrophobicContact CE1-CG1 3.85Å; F209-I295 HydrophobicContact CE2-CG1 4.19Å; F209-I295 HydrophobicContact CZ-CD1 4.37Å; F209-I295 HydrophobicContact CZ-CG1 3.75Å; I291-I295 HydrophobicContact CG2-CD1 4.25Å; I291-I295 WeakPolarHBondContact O-CG1 3.29Å; I291-I295 PolarHBondContact O-N 3.41Å; I292-I295 WeakPolarHBondContact O-CB 3.47Å; I292-I295 PolarHBondContact O-N 3.23Å; I295-F297 PolarHBondContact O-N 2.93Å; I295-W298 PolarHBondContact O-N 3.17Å; I295-L299 HydrophobicContact CG2-CD1 3.79Å; I295-L299 HydrophobicContact CG2-CG 4.35Å; I295-L299 VanDerWaalsContact O-CG 3.31Å; I295-L299 WeakPolarHBondContact O-CG 3.32Å; I295-L299 PolarHBondContact O-N 3.28Å; I295-F306 HydrophobicContact CG2-CD2 4.38Å; I295-F306 HydrophobicContact CG2-CE2 3.84Å; I295-M308 HydrophobicContact CD1-CE 4.08Å; I295-F359 HydrophobicContact CD1-CB 3.97Å; I295-F359 HydrophobicContact CD1-CD1 3.99Å; I295-F359 HydrophobicContact CD1-CD2 4.17Å; I295-F359 HydrophobicContact CD1-CG 3.79Å; I295-M363 HydrophobicContact CG2-CG 4.02Å
296	S	98.7	Very high	98.5	Very high	18 Å²	18	27.3 Å²	27.3	13%	0.126	14%	0.136	C	C	.	.	H	α-helix	trans	-58.9	-43.2	178.3	-75.8	0	0	0	0	112.8	I292 L294 W298 L299 E300 Y366	I292-S296 PolarHBondContact O-N 3.1Å; I292-S296 PolarHBondContact O-OG 3.29Å; L294-S296 VanDerWaalsContact C-N 3.35Å; S296-W298 VanDerWaalsContact C-N 3.33Å; S296-W298 PolarHBondContact O-N 3.05Å; S296-L299 PolarHBondContact O-N 3.19Å; S296-E300 WeakPolarHBondContact O-CB 3.25Å; S296-E300 VanDerWaalsContact O-CG 3.29Å; S296-E300 WeakPolarHBondContact O-CG 3.41Å; S296-E300 PolarHBondContact O-N 2.96Å; S296-Y366 WeakPolarHBondContact CB-OH 3.42Å; S296-Y366 PolarHBondContact OG-OH 3.17Å
297	F	98.8	Very high	98.5	Very high	50 Å²	50	23.6 Å²	23.6	22%	0.219	12%	0.116	C	C	.	.	H	α-helix	trans	-53.9	-46.9	177.9	170.2	-96.4	0	0	0	112.7	R178 M187 D293 L294 I295 K301	R178-F297 HydrophobicContact CB-CD1 4.41Å; R178-F297 HydrophobicContact CB-CE1 3.93Å; R178-F297 HydrophobicContact CB-CE2 4.4Å; R178-F297 HydrophobicContact CB-CZ 3.89Å; R178-F297 HydrophobicContact CG-CD1 4.13Å; R178-F297 HydrophobicContact CG-CD2 4.49Å; R178-F297 HydrophobicContact CG-CE1 4.15Å; R178-F297 HydrophobicContact CG-CE2 4.49Å; R178-F297 HydrophobicContact CG-CG 4.29Å; R178-F297 HydrophobicContact CG-CZ 4.31Å; R178-F297 WeakPolarHBondContact O-CZ 3.42Å; M187-F297 HydrophobicContact CE-CE1 4.42Å; M187-F297 HydrophobicContact CE-CZ 4.24Å; D293-F297 WeakPolarHBondContact O-CB 3.46Å; D293-F297 PolarHBondContact O-N 3.16Å; L294-F297 PolarHBondContact O-N 3.09Å; I295-F297 PolarHBondContact O-N 2.93Å; F297-K301 HydrophobicContact CE1-CD 4.01Å; F297-K301 HydrophobicContact CZ-CD 4.1Å; F297-K301 PolarHBondContact O-N 3.29Å
298	W	98.8	Very high	98.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-75	-33.9	-179.7	-73.2	112	0	0	0	112.8	F162 Y163 F177 M187 F190 M207 L294 I295 S296 K301 G302 V303 F306	F162-W298 HydrophobicContact CE2-CH2 4.22Å; F162-W298 HydrophobicContact CE2-CZ3 4.44Å; Y163-W298 AromaticContact CD1-CZ2 3.93Å; Y163-W298 HydrophobicContact CD1-CZ2 3.93Å; Y163-W298 AromaticContact CE1-CE2 3.69Å; Y163-W298 AromaticContact CE1-CZ2 3.67Å; Y163-W298 HydrophobicContact CE1-CZ2 3.67Å; Y163-W298 AromaticContact CE1-NE1 3.51Å; F177-W298 WeakPolarHBondContact O-CZ2 3.19Å; F177-W298 PolarHBondContact O-NE1 3.26Å; M187-W298 HydrophobicContact CE-CH2 3.8Å; M187-W298 HydrophobicContact CE-CZ3 4.33Å; M187-W298 HydrophobicContact SD-CH2 4.37Å; M187-W298 HydrophobicContact SD-CZ3 4.35Å; F190-W298 AromaticContact CD1-CZ3 3.9Å; F190-W298 HydrophobicContact CD1-CZ3 3.9Å; F190-W298 HydrophobicContact CD2-CZ3 4.3Å; F190-W298 AromaticContact CE1-CE3 3.98Å; F190-W298 HydrophobicContact CE1-CE3 3.98Å; F190-W298 AromaticContact CE1-CZ3 3.56Å; F190-W298 HydrophobicContact CE1-CZ3 3.56Å; F190-W298 HydrophobicContact CE2-CE3 4.42Å; F190-W298 AromaticContact CE2-CZ3 3.96Å; F190-W298 HydrophobicContact CE2-CZ3 3.96Å; F190-W298 HydrophobicContact CG-CZ3 4.27Å; F190-W298 AromaticContact CZ-CE3 3.79Å; F190-W298 HydrophobicContact CZ-CE3 3.79Å; F190-W298 AromaticContact CZ-CZ3 3.58Å; F190-W298 HydrophobicContact CZ-CZ3 3.58Å; M207-W298 HydrophobicContact CE-CD2 3.59Å; M207-W298 HydrophobicContact CE-CE3 3.68Å; M207-W298 HydrophobicContact CE-CG 4.14Å; M207-W298 HydrophobicContact CE-CH2 4.08Å; M207-W298 HydrophobicContact CE-CZ2 4.02Å; M207-W298 HydrophobicContact CE-CZ3 3.93Å; M207-W298 HydrophobicContact SD-CD2 3.91Å; M207-W298 HydrophobicContact SD-CE3 3.61Å; M207-W298 HydrophobicContact SD-CG 4.3Å; M207-W298 HydrophobicContact SD-CZ3 4.12Å; L294-W298 VanDerWaalsContact O-CD1 3.26Å; L294-W298 PolarHBondContact O-N 2.91Å; I295-W298 PolarHBondContact O-N 3.17Å; S296-W298 VanDerWaalsContact C-N 3.33Å; S296-W298 PolarHBondContact O-N 3.05Å; W298-K301 HydrophobicContact CE3-CD 3.9Å; W298-K301 HydrophobicContact CZ3-CD 3.97Å; W298-K301 PolarHBondContact O-N 3.15Å; W298-G302 PolarHBondContact O-N 3.34Å; W298-V303 HydrophobicContact CB-CG2 4.14Å; W298-V303 HydrophobicContact CE3-CG2 4.27Å; W298-V303 WeakPolarHBondContact O-CB 3.47Å; W298-V303 VanDerWaalsContact O-CG2 3.26Å; W298-V303 WeakPolarHBondContact O-CG2 3.43Å; W298-V303 PolarHBondContact O-N 2.84Å; W298-F306 HydrophobicContact CB-CE1 3.91Å; W298-F306 HydrophobicContact CB-CZ 3.66Å; W298-F306 HydrophobicContact CG-CE1 4.49Å
299	L	98.6	Very high	98.5	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-64.9	-38.4	172.8	-68.4	176	0	0	0	112.4	I295 S296 K301 G302 F306 M363 Y366 R374	I295-L299 HydrophobicContact CG2-CD1 3.79Å; I295-L299 HydrophobicContact CG2-CG 4.35Å; I295-L299 VanDerWaalsContact O-CG 3.31Å; I295-L299 WeakPolarHBondContact O-CG 3.32Å; I295-L299 PolarHBondContact O-N 3.28Å; S296-L299 PolarHBondContact O-N 3.19Å; L299-K301 VanDerWaalsContact C-N 3.32Å; L299-G302 WeakPolarHBondContact O-CA 3.31Å; L299-G302 PolarHBondContact O-N 3.03Å; L299-F306 HydrophobicContact CD1-CE2 4.4Å; L299-F306 HydrophobicContact CD2-CE2 3.66Å; L299-F306 HydrophobicContact CD2-CZ 4.24Å; L299-F306 HydrophobicContact CG-CE2 3.8Å; L299-F306 HydrophobicContact CG-CZ 4.24Å; L299-M363 HydrophobicContact CD1-CB 4.46Å; L299-M363 HydrophobicContact CD1-CG 4.02Å; L299-Y366 HydrophobicContact CB-CD1 3.76Å; L299-Y366 HydrophobicContact CB-CD2 4.16Å; L299-Y366 HydrophobicContact CB-CE1 3.98Å; L299-Y366 HydrophobicContact CB-CE2 4.36Å; L299-Y366 HydrophobicContact CB-CG 3.86Å; L299-Y366 HydrophobicContact CD1-CD2 3.5Å; L299-Y366 VanDerWaalsContact CD1-CD2 3.5Å; L299-Y366 HydrophobicContact CD1-CE2 3.99Å; L299-Y366 HydrophobicContact CD1-CG 3.82Å; L299-Y366 HydrophobicContact CG-CD2 4.47Å; L299-Y366 HydrophobicContact CG-CG 4.41Å; L299-R374 HydrophobicContact CD2-CB 4.15Å; L299-R374 HydrophobicContact CD2-CG 3.83Å
300	E	98.3	Very high	98.3	Very high	137 Å²	137	19.3 Å²	19.3	64%	0.64	10%	0.096	S	C	*	.	H	α-helix	trans	-63.7	-36.8	175.3	-76.2	174.1	-171.5	0	0	112.2	S296 G302 Y366	S296-E300 WeakPolarHBondContact O-CB 3.25Å; S296-E300 VanDerWaalsContact O-CG 3.29Å; S296-E300 WeakPolarHBondContact O-CG 3.41Å; S296-E300 PolarHBondContact O-N 2.96Å; E300-G302 PolarHBondContact O-N 2.95Å; E300-Y366 HydrophobicContact CG-CE1 3.7Å; E300-Y366 PolarHBondContact OE1-OH 3.19Å
301	K	98.1	Very high	98.2	Very high	61 Å²	61	17.9 Å²	17.9	27%	0.265	9%	0.089	S	C	.	.	H	α-helix	trans	-65.9	-25.2	171.5	-73.1	-175.7	173	-68.2	0	113.2	M187 F190 E191 L194 F297 W298 L299	M187-K301 HydrophobicContact SD-CD 3.9Å; M187-K301 WeakPolarHBondContact SD-CE 3.45Å; M187-K301 PolarHBondContact SD-NZ 3.37Å; M187-K301 VanDerWaalsContact SD-NZ 3.37Å; F190-K301 HydrophobicContact CD1-CD 4.46Å; F190-K301 HydrophobicContact CE1-CB 4.17Å; F190-K301 HydrophobicContact CE1-CD 3.94Å; E191-K301 IonicContact OE1-NZ 3.19Å; E191-K301 PolarHBondContact OE1-NZ 2.93Å; L194-K301 VanDerWaalsContact CD2-O 3.3Å; L194-K301 WeakPolarHBondContact CD2-O 3.45Å; F297-K301 HydrophobicContact CE1-CD 4.01Å; F297-K301 HydrophobicContact CZ-CD 4.1Å; F297-K301 PolarHBondContact O-N 3.29Å; W298-K301 HydrophobicContact CE3-CD 3.9Å; W298-K301 HydrophobicContact CZ3-CD 3.97Å; W298-K301 PolarHBondContact O-N 3.15Å; L299-K301 VanDerWaalsContact C-N 3.32Å
302	G	97.9	Very high	98.1	Very high	5 Å²	5	19.9 Å²	19.9	5%	0.052	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	121.6	4.1	171.1	0	0	0	0	0	115.6	H198 W298 L299 E300 R374	H198-G302 PolarHBondContact CE1-O 3.46Å; W298-G302 PolarHBondContact O-N 3.34Å; L299-G302 WeakPolarHBondContact O-CA 3.31Å; L299-G302 PolarHBondContact O-N 3.03Å; E300-G302 PolarHBondContact O-N 2.95Å; G302-R374 PolarHBondContact O-NH1 3.3Å
303	V	98.5	Very high	98.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.098	C	C	.	.			trans	-52.1	135.7	179.4	174.5	0	0	0	0	111.4	F190 M207 W298 G305 F306 R374	F190-V303 HydrophobicContact CZ-CG2 3.84Å; M207-V303 HydrophobicContact CB-CG1 4.13Å; M207-V303 HydrophobicContact CG-CG1 3.83Å; M207-V303 HydrophobicContact CG-CG2 4.16Å; M207-V303 HydrophobicContact SD-CB 4.29Å; M207-V303 HydrophobicContact SD-CG1 3.97Å; M207-V303 HydrophobicContact SD-CG2 3.32Å; M207-V303 WeakPolarHBondContact SD-CG2 3.36Å; W298-V303 HydrophobicContact CB-CG2 4.14Å; W298-V303 HydrophobicContact CE3-CG2 4.27Å; W298-V303 WeakPolarHBondContact O-CB 3.47Å; W298-V303 VanDerWaalsContact O-CG2 3.26Å; W298-V303 WeakPolarHBondContact O-CG2 3.43Å; W298-V303 PolarHBondContact O-N 2.84Å; V303-G305 VanDerWaalsContact CG1-O 3.28Å; V303-G305 WeakPolarHBondContact CG1-O 3.49Å; V303-F306 HydrophobicContact CG1-CE1 4.06Å; V303-F306 HydrophobicContact CG1-CZ 4.16Å; V303-R374 PolarHBondContact O-NH1 3.14Å
304	D	98.6	Very high	98	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.082	C	C	.	.			trans	-88.9	-9	-171.8	-59.4	-85	0	0	0	113.5	W114 H198 K204 L205 R374 F375	W114-D304 HydrophobicContact CH2-CB 4.45Å; W114-D304 HydrophobicContact CZ2-CB 4.04Å; H198-D304 IonicContact CD2-OD2 3.82Å; H198-D304 IonicContact CE1-OD2 2.7Å; H198-D304 IonicContact NE2-OD1 3.97Å; H198-D304 IonicContact NE2-OD2 3.5Å; H198-D304 PolarHBondContact NE2-OD2 3.26Å; K204-D304 WeakPolarHBondContact CA-OD2 3.43Å; K204-D304 HydrophobicContact CB-CB 4.03Å; K204-D304 HydrophobicContact CD-CB 3.85Å; K204-D304 WeakPolarHBondContact CD-OD1 3.43Å; K204-D304 IonicContact NZ-OD1 2.74Å; K204-D304 PolarHBondContact NZ-OD1 2.85Å; L205-D304 PolarHBondContact N-OD2 3.19Å; L205-D304 WeakPolarHBondContact O-CA 2.95Å; L205-D304 WeakPolarHBondContact O-CB 3.14Å; L205-D304 PolarHBondContact O-N 2.82Å; D304-R374 CarbonylContact O-C 3.58Å; D304-R374 VanDerWaalsContact O-CA 3.29Å; D304-R374 WeakPolarHBondContact O-CA 3.33Å; D304-R374 IonicContact OD1-NH1 3.68Å; D304-F375 PolarHBondContact O-N 3.49Å
305	G	98.4	Very high	98	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.2	178.7	174.5	0	0	0	0	0	114.5	L205 I206 M207 V303 F375	L205-G305 PolarHBondContact O-N 2.98Å; I206-G305 WeakPolarHBondContact CA-O 3.36Å; M207-G305 PolarHBondContact N-O 2.94Å; V303-G305 VanDerWaalsContact CG1-O 3.28Å; V303-G305 WeakPolarHBondContact CG1-O 3.49Å; G305-F375 CarbonylContact C-O 3.28Å; G305-F375 WeakPolarHBondContact CA-O 3.4Å
306	F	98.8	Very high	97.9	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	141.7	178.8	-59.5	-75.7	0	0	0	112.5	M207 F209 I295 W298 L299 V303 M308 M363 F375 M376 V377	M207-F306 HydrophobicContact CB-CD1 3.92Å; M207-F306 HydrophobicContact CB-CE1 4.06Å; M207-F306 CarbonylContact O-C 3.54Å; M207-F306 WeakPolarHBondContact O-CA 3.37Å; F209-F306 HydrophobicContact CB-CB 4.2Å; F209-F306 HydrophobicContact CB-CD1 3.94Å; F209-F306 HydrophobicContact CB-CG 4.31Å; F209-F306 HydrophobicContact CG-CD1 4.5Å; I295-F306 HydrophobicContact CG2-CD2 4.38Å; I295-F306 HydrophobicContact CG2-CE2 3.84Å; W298-F306 HydrophobicContact CB-CE1 3.91Å; W298-F306 HydrophobicContact CB-CZ 3.66Å; W298-F306 HydrophobicContact CG-CE1 4.49Å; L299-F306 HydrophobicContact CD1-CE2 4.4Å; L299-F306 HydrophobicContact CD2-CE2 3.66Å; L299-F306 HydrophobicContact CD2-CZ 4.24Å; L299-F306 HydrophobicContact CG-CE2 3.8Å; L299-F306 HydrophobicContact CG-CZ 4.24Å; V303-F306 HydrophobicContact CG1-CE1 4.06Å; V303-F306 HydrophobicContact CG1-CZ 4.16Å; F306-M308 HydrophobicContact CB-CE 3.92Å; F306-M308 HydrophobicContact CB-SD 4.08Å; F306-M308 HydrophobicContact CD2-CE 4.33Å; F306-M308 HydrophobicContact CG-CE 4.39Å; F306-M363 HydrophobicContact CD2-CE 3.75Å; F306-M363 HydrophobicContact CD2-SD 4.15Å; F306-M363 HydrophobicContact CE2-CE 4.45Å; F306-F375 PolarHBondContact N-O 3.2Å; F306-M376 WeakPolarHBondContact O-CA 3.32Å; F306-V377 PolarHBondContact O-N 3.39Å
307	R	98.6	Very high	97.9	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.008	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	120.1	151.2	170.7	-178	177.3	-90.2	0.9	107.5	W158 M207 D208 F209 D309 V377 E379 F405	W158-R307 VanDerWaalsContact CE2-CD 3.41Å; W158-R307 VanDerWaalsContact CH2-CD 3.43Å; W158-R307 HydrophobicContact CZ2-CG 4.41Å; M207-R307 PolarHBondContact O-N 3.32Å; D208-R307 VanDerWaalsContact CG-NH1 3.3Å; D208-R307 WeakPolarHBondContact OD1-CD 3.36Å; D208-R307 WeakPolarHBondContact OD1-CG 3.36Å; D208-R307 IonicContact OD1-CZ 2.76Å; D208-R307 IonicContact OD1-NE 3.09Å; D208-R307 IonicContact OD1-NH1 3.56Å; D208-R307 PolarHBondContact OD1-NH1 3.39Å; D208-R307 IonicContact OD2-NH1 3.97Å; D208-R307 PolarHBondContact OD2-NH1 2.94Å; F209-R307 PolarHBondContact N-O 3.49Å; R307-D309 IonicContact CZ-OD1 3.74Å; R307-D309 IonicContact NH1-OD1 3Å; R307-D309 PolarHBondContact NH1-OD1 2.95Å; R307-D309 IonicContact NH2-OD1 2.84Å; R307-D309 PolarHBondContact NH2-OD1 3.46Å; R307-V377 CarbonylContact C-O 3.56Å; R307-V377 WeakPolarHBondContact CA-O 3.28Å; R307-V377 HydrophobicContact CB-CG1 3.81Å; R307-V377 HydrophobicContact CG-CG1 4.31Å; R307-E379 HydrophobicContact CG-CB 4.47Å; R307-E379 IonicContact NH2-OE1 3.72Å; R307-E379 PolarHBondContact NH2-OE1 3.13Å; R307-E379 IonicContact NH2-OE2 3.71Å; R307-F405 HydrophobicContact CB-CE2 4.26Å; R307-F405 HydrophobicContact CG-CD2 4.37Å; R307-F405 HydrophobicContact CG-CE2 3.78Å
308	M	98.3	Very high	97.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	109.4	172.6	-55.8	-60.5	-172.9	0	0	108	F209 I295 F306 V311 F359 M363 M376 V377 T378 E379	F209-M308 HydrophobicContact CB-SD 3.99Å; F209-M308 HydrophobicContact CD1-CE 4.5Å; F209-M308 HydrophobicContact CD1-SD 3.58Å; F209-M308 VanDerWaalsContact CD1-SD 3.58Å; F209-M308 HydrophobicContact CG-SD 4.16Å; I295-M308 HydrophobicContact CD1-CE 4.08Å; F306-M308 HydrophobicContact CB-CE 3.92Å; F306-M308 HydrophobicContact CB-SD 4.08Å; F306-M308 HydrophobicContact CD2-CE 4.33Å; F306-M308 HydrophobicContact CG-CE 4.39Å; M308-V311 HydrophobicContact CB-CG1 3.51Å; M308-V311 WeakPolarHBondContact O-CG1 3.49Å; M308-F359 HydrophobicContact CE-CB 4.42Å; M308-M363 HydrophobicContact CE-SD 4Å; M308-M376 HydrophobicContact CE-CG 3.97Å; M308-M376 HydrophobicContact CE-SD 3.74Å; M308-M376 HydrophobicContact CG-CG 3.98Å; M308-M376 HydrophobicContact CG-SD 4.26Å; M308-V377 PolarHBondContact N-O 3.47Å; M308-T378 HydrophobicContact CB-CG2 4.25Å; M308-E379 PolarHBondContact O-N 3.35Å
309	D	97.3	Very high	97.6	Very high	14 Å²	14	22.5 Å²	22.5	8%	0.075	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	144.5	-177.4	-173.1	66	0	0	0	112	Y172 F209 I210 R307 V311	Y172-D309 HydrophobicContact CE1-CB 4.41Å; F209-D309 WeakPolarHBondContact O-CB 3.04Å; F209-D309 PolarHBondContact O-N 3.5Å; I210-D309 HydrophobicContact CG1-CB 4.37Å; R307-D309 IonicContact CZ-OD1 3.74Å; R307-D309 IonicContact NH1-OD1 3Å; R307-D309 PolarHBondContact NH1-OD1 2.95Å; R307-D309 IonicContact NH2-OD1 2.84Å; R307-D309 PolarHBondContact NH2-OD1 3.46Å; D309-V311 PolarHBondContact O-N 3.29Å; D309-V311 VanDerWaalsContact O-N 3.09Å
310	A	94.4	Very high	97.4	Very high	5 Å²	5	24.8 Å²	24.8	4%	0.041	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	33.2	168.3	0	0	0	0	0	115.3	F273 K312 H313 E379	F273-A310 HydrophobicContact CE2-CB 4.01Å; F273-A310 HydrophobicContact CZ-CB 3.58Å; A310-K312 PolarHBondContact O-N 2.98Å; A310-K312 VanDerWaalsContact O-N 3.07Å; A310-H313 PolarHBondContact O-N 3.12Å; A310-E379 WeakPolarHBondContact CA-OE2 2.89Å; A310-E379 PolarHBondContact N-OE2 3.05Å
311	V	97.1	Very high	97.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-62.5	-28.8	-166.4	-60.2	0	0	0	0	113.4	M308 D309 H313 M314 L352 L356 T378 E379 Y392	M308-V311 HydrophobicContact CB-CG1 3.51Å; M308-V311 WeakPolarHBondContact O-CG1 3.49Å; D309-V311 PolarHBondContact O-N 3.29Å; D309-V311 VanDerWaalsContact O-N 3.09Å; V311-H313 PolarHBondContact O-N 3.21Å; V311-H313 VanDerWaalsContact O-N 3.15Å; V311-M314 HydrophobicContact CB-SD 3.97Å; V311-M314 HydrophobicContact CG1-SD 4.16Å; V311-M314 WeakPolarHBondContact O-CB 3.28Å; V311-M314 WeakPolarHBondContact O-CG 3.35Å; V311-M314 PolarHBondContact O-N 3.38Å; V311-L352 WeakPolarHBondContact O-CD1 3.37Å; V311-L356 HydrophobicContact CB-CD1 4.28Å; V311-L356 HydrophobicContact CB-CD2 4.27Å; V311-L356 HydrophobicContact CG1-CD2 3.95Å; V311-L356 HydrophobicContact CG2-CD1 4.26Å; V311-T378 HydrophobicContact CG1-CG2 4.27Å; V311-T378 HydrophobicContact CG2-CG2 4.42Å; V311-E379 WeakPolarHBondContact CG2-O 3.33Å; V311-E379 PolarHBondContact N-O 3.37Å; V311-Y392 HydrophobicContact CG2-CD1 4.36Å; V311-Y392 HydrophobicContact CG2-CE1 3.57Å
312	K	96.6	Very high	97.3	Very high	41 Å²	41	26.6 Å²	26.6	18%	0.178	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-64.1	-19.6	179.5	72	176.1	-176.2	175.8	0	113.7	A310 T347 S348 Y381	A310-K312 PolarHBondContact O-N 2.98Å; A310-K312 VanDerWaalsContact O-N 3.07Å; K312-T347 HydrophobicContact CD-CG2 4.46Å; K312-T347 CarbonylContact O-C 3.55Å; K312-T347 VanDerWaalsContact O-CA 3.28Å; K312-T347 WeakPolarHBondContact O-CA 3.25Å; K312-S348 PolarHBondContact O-N 3.07Å; K312-Y381 PolarHBondContact NZ-O 3.27Å
313	H	97.4	Very high	97.3	Very high	15 Å²	15	26.6 Å²	26.6	7%	0.069	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-91.6	-6.6	-178	-63.5	-76.6	0	0	0	113.7	N212 I253 Q272 A310 V311 L315	N212-H313 WeakPolarHBondContact OD1-CB 3.47Å; N212-H313 PolarHBondContact OD1-O 3.14Å; I253-H313 VanDerWaalsContact CD1-CE1 3.44Å; I253-H313 WeakPolarHBondContact CD1-CE1 3.36Å; I253-H313 WeakPolarHBondContact CD1-NE2 2.97Å; Q272-H313 HydrophobicContact CB-CB 4.48Å; Q272-H313 HydrophobicContact CG-CB 4.28Å; Q272-H313 PolarHBondContact OE1-ND1 3.03Å; A310-H313 PolarHBondContact O-N 3.12Å; V311-H313 PolarHBondContact O-N 3.21Å; V311-H313 VanDerWaalsContact O-N 3.15Å; H313-L315 PolarHBondContact O-N 3.1Å
314	M	97.2	Very high	97.2	Very high	3 Å²	3	29 Å²	29	2%	0.015	15%	0.153	C	C	.	.	S	Bend	trans	-61.6	-16.4	-171.9	-72.4	173.2	61.5	0	0	115.5	P211 N212 L282 V311 L352 M355 L356 F359	P211-M314 HydrophobicContact CB-CE 4.16Å; P211-M314 HydrophobicContact CB-SD 4.27Å; P211-M314 HydrophobicContact CG-CE 4.33Å; P211-M314 HydrophobicContact CG-CG 4.24Å; P211-M314 HydrophobicContact CG-SD 3.78Å; N212-M314 HydrophobicContact CB-CG 4.49Å; N212-M314 WeakPolarHBondContact OD1-CA 3.25Å; N212-M314 PolarHBondContact OD1-N 3.35Å; L282-M314 HydrophobicContact CD1-CB 3.62Å; L282-M314 HydrophobicContact CD1-CE 3.72Å; L282-M314 HydrophobicContact CD1-CG 3.92Å; L282-M314 VanDerWaalsContact CD1-O 3.28Å; L282-M314 WeakPolarHBondContact CD1-O 3.29Å; V311-M314 HydrophobicContact CB-SD 3.97Å; V311-M314 HydrophobicContact CG1-SD 4.16Å; V311-M314 WeakPolarHBondContact O-CB 3.28Å; V311-M314 WeakPolarHBondContact O-CG 3.35Å; V311-M314 PolarHBondContact O-N 3.38Å; M314-L352 HydrophobicContact CB-CD1 4.01Å; M314-L352 HydrophobicContact CG-CD1 4.41Å; M314-L352 HydrophobicContact SD-CD1 3.89Å; M314-M355 HydrophobicContact CE-CG 3.91Å; M314-M355 HydrophobicContact CE-SD 3.32Å; M314-M355 WeakPolarHBondContact CE-SD 3.45Å; M314-L356 HydrophobicContact SD-CD2 4.21Å; M314-F359 HydrophobicContact CE-CE2 3.72Å; M314-F359 HydrophobicContact CE-CZ 4.11Å
315	L	98	Very high	97.2	Very high	8 Å²	8	30.8 Å²	30.8	4%	0.042	16%	0.161	C	C	.	.			trans	-142.2	137.1	-179.6	-70.9	176.3	0	0	0	110.5	L282 R283 H313 Q349 L352	L282-L315 HydrophobicContact CB-CD2 3.97Å; R283-L315 HydrophobicContact CG-CD2 4.02Å; H313-L315 PolarHBondContact O-N 3.1Å; L315-Q349 HydrophobicContact CB-CB 3.87Å; L315-Q349 HydrophobicContact CB-CG 4.47Å; L315-Q349 WeakPolarHBondContact O-CB 3.07Å; L315-Q349 WeakPolarHBondContact O-CG 3.31Å; L315-L352 HydrophobicContact CD1-CB 4.41Å
316	E	98.3	Very high	97	Very high	16 Å²	16	33.9 Å²	33.9	8%	0.075	18%	0.18	C	C	.	.			trans	-119.3	162.7	173.4	-49.8	76.8	-167.7	0	0	111.8	W250 L270 Q272 R283 A318 Y345	W250-E316 HydrophobicContact CH2-CB 3.76Å; W250-E316 HydrophobicContact CH2-CG 4.47Å; W250-E316 HydrophobicContact CZ3-CB 3.93Å; W250-E316 HydrophobicContact CZ3-CG 4.18Å; L270-E316 VanDerWaalsContact CD2-CD 3.48Å; L270-E316 HydrophobicContact CD2-CG 3.79Å; Q272-E316 PolarHBondContact NE2-OE1 2.91Å; R283-E316 PolarHBondContact NE-O 3.31Å; R283-E316 PolarHBondContact NH2-O 3.45Å; E316-A318 PolarHBondContact O-N 3.4Å; E316-Y345 CarbonylContact C-O 3.54Å; E316-Y345 VanDerWaalsContact CA-O 3.25Å; E316-Y345 WeakPolarHBondContact CA-O 3.43Å
317	A	97.9	Very high	96.9	Very high	5 Å²	5	37.4 Å²	37.4	4%	0.041	20%	0.199	C	C	.	.			trans	-70.5	118.5	179.1	0	0	0	0	0	111.4	H319 L320 Y345	A317-H319 WeakPolarHBondContact CB-NE2 3.07Å; A317-H319 PolarHBondContact O-N 3.34Å; A317-L320 PolarHBondContact O-N 3.02Å; A317-Y345 HydrophobicContact CB-CD1 3.88Å; A317-Y345 HydrophobicContact CB-CG 4.13Å; A317-Y345 PolarHBondContact N-O 3.3Å
318	A	94.9	Very high	96.6	Very high	78 Å²	78	42.4 Å²	42.4	65%	0.645	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-13.4	-175.2	0	0	0	0	0	115	E316 L320	E316-A318 PolarHBondContact O-N 3.4Å; A318-L320 VanDerWaalsContact C-N 3.3Å
319	H	95.5	Very high	96.4	Very high	81 Å²	81	49.7 Å²	49.7	38%	0.375	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-8	176.8	60.7	57.7	0	0	0	113.4	A317 R321 Y345	A317-H319 WeakPolarHBondContact CB-NE2 3.07Å; A317-H319 PolarHBondContact O-N 3.34Å; H319-R321 PolarHBondContact CD2-NH2 2.88Å; H319-R321 PolarHBondContact CE1-NE 3.4Å; H319-R321 WeakPolarHBondContact ND1-CB 3.5Å; H319-R321 VanDerWaalsContact ND1-CG 3.33Å; H319-R321 WeakPolarHBondContact ND1-CG 3.33Å; H319-R321 PolarHBondContact ND1-N 3.13Å; H319-R321 PolarHBondContact ND1-NE 2.94Å; H319-R321 PolarHBondContact NE2-NE 2.94Å; H319-R321 PolarHBondContact NE2-NH2 3.15Å; H319-R321 PolarHBondContact O-N 3.38Å; H319-R321 VanDerWaalsContact O-N 3.13Å; H319-Y345 AromaticContact CE1-CD1 3.45Å; H319-Y345 VanDerWaalsContact CE1-CD1 3.45Å; H319-Y345 WeakPolarHBondContact CE1-CD1 3.44Å; H319-Y345 AromaticContact CE1-CE1 3.57Å; H319-Y345 AromaticContact CE1-CG 3.82Å; H319-Y345 AromaticContact NE2-CD1 3.65Å; H319-Y345 AromaticContact NE2-CE1 3.63Å
320	L	95.9	Very high	96.2	Very high	49 Å²	49	51.4 Å²	51.4	26%	0.257	28%	0.279	S	S	.	.			trans	51.4	37.1	175.6	-53.7	-176.9	0	0	0	114.3	N248 W250 W259 A317 A318	N248-L320 PolarHBondContact ND2-O 3Å; W250-L320 HydrophobicContact CH2-CD2 3.5Å; W250-L320 HydrophobicContact CZ2-CD2 4.29Å; W250-L320 HydrophobicContact CZ3-CD2 3.87Å; W259-L320 HydrophobicContact CH2-CD1 4.39Å; W259-L320 HydrophobicContact CH2-CD2 4.24Å; W259-L320 HydrophobicContact CZ2-CD2 4.12Å; A317-L320 PolarHBondContact O-N 3.02Å; A318-L320 VanDerWaalsContact C-N 3.3Å
321	R	97.4	Very high	96.2	Very high	140 Å²	140	53.7 Å²	53.7	53%	0.528	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-76.6	154.2	178.9	-76.1	-177	-74.5	-126.2	1.6	109.2	W250 H319 Y345	W250-R321 PolarHBondContact NE1-O 3.32Å; H319-R321 PolarHBondContact CD2-NH2 2.88Å; H319-R321 PolarHBondContact CE1-NE 3.4Å; H319-R321 WeakPolarHBondContact ND1-CB 3.5Å; H319-R321 VanDerWaalsContact ND1-CG 3.33Å; H319-R321 WeakPolarHBondContact ND1-CG 3.33Å; H319-R321 PolarHBondContact ND1-N 3.13Å; H319-R321 PolarHBondContact ND1-NE 2.94Å; H319-R321 PolarHBondContact NE2-NE 2.94Å; H319-R321 PolarHBondContact NE2-NH2 3.15Å; H319-R321 PolarHBondContact O-N 3.38Å; H319-R321 VanDerWaalsContact O-N 3.13Å; R321-Y345 HydrophobicContact CB-CE2 4.22Å
322	D	97	Very high	95.8	Very high	97 Å²	97	57.8 Å²	57.8	52%	0.519	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-57.9	137.5	171.3	-69.5	-24.1	0	0	0	111.1	N248 N249 Y345	N248-D322 WeakPolarHBondContact CA-OD1 3.32Å; N248-D322 WeakPolarHBondContact CB-OD1 3.4Å; N249-D322 HydrophobicContact CB-CB 4.42Å; N249-D322 PolarHBondContact N-OD1 2.91Å; N249-D322 WeakPolarHBondContact OD1-CA 3.46Å; N249-D322 WeakPolarHBondContact OD1-CB 3.46Å; D322-Y345 WeakPolarHBondContact O-CE2 3.01Å
323	E	97.8	Very high	95.4	Very high	5 Å²	5	62.5 Å²	62.5	2%	0.023	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-68	146.8	169.4	-72.9	-69.6	-166.1	0	0	110.8	N249 W250 L341 Y342 H343 D344 Y345 T346	N249-E323 PolarHBondContact ND2-O 2.72Å; N249-E323 PolarHBondContact OD1-N 3.29Å; W250-E323 HydrophobicContact CG-CG 4.49Å; E323-L341 HydrophobicContact CB-CB 4.22Å; E323-L341 HydrophobicContact CB-CD1 4.07Å; E323-L341 HydrophobicContact CB-CD2 4.12Å; E323-L341 HydrophobicContact CB-CG 4.37Å; E323-Y342 WeakPolarHBondContact CB-O 3.27Å; E323-Y342 VanDerWaalsContact OE2-O 3.04Å; E323-H343 WeakPolarHBondContact OE1-CA 3.44Å; E323-D344 PolarHBondContact OE1-N 2.73Å; E323-D344 PolarHBondContact OE2-N 3.25Å; E323-Y345 HydrophobicContact CG-CD2 4.36Å; E323-Y345 VanDerWaalsContact OE1-CA 3.32Å; E323-Y345 WeakPolarHBondContact OE1-CA 3.26Å; E323-Y345 WeakPolarHBondContact OE1-CB 3.42Å; E323-Y345 PolarHBondContact OE1-N 3.21Å; E323-Y345 WeakPolarHBondContact OE2-CD2 3.45Å; E323-Y345 PolarHBondContact OE2-N 2.87Å; E323-Y345 VanDerWaalsContact OE2-N 3.15Å; E323-T346 PolarHBondContact OE1-N 2.96Å; E323-T346 PolarHBondContact OE1-OG1 3.04Å
324	P	96.8	Very high	95.1	Very high	49 Å²	49	66.9 Å²	66.9	32%	0.318	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-66.2	134.7	173.4	-15	29.7	0	0	0	111.3	L341 Y342	P324-L341 WeakPolarHBondContact O-CA 3.28Å; P324-Y342 HydrophobicContact CB-CD2 4.15Å; P324-Y342 PolarHBondContact O-N 3.1Å
325	Q	96.9	Very high	94.9	Very high	39 Å²	39	67.1 Å²	67.1	18%	0.182	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-73.3	142.3	172.5	-70.4	176.9	-157.6	0	0	111.5	D327 M330 V335 L341	Q325-D327 WeakPolarHBondContact CB-O 3.38Å; Q325-D327 PolarHBondContact NE2-O 2.83Å; Q325-M330 PolarHBondContact NE2-O 3.3Å; Q325-V335 HydrophobicContact CG-CG2 4.04Å; Q325-L341 HydrophobicContact CG-CD2 3.9Å
326	V	95.6	Very high	94.5	Very high	65 Å²	65	69.3 Å²	69.3	39%	0.394	38%	0.381	S	S	.	.	S	Bend	trans	-67.9	-43.5	171.9	176.3	0	0	0	0	110.6	P328 D340 Y342	V326-P328 WeakPolarHBondContact O-CD 3.49Å; V326-D340 PolarHBondContact N-O 3.15Å; V326-Y342 HydrophobicContact CB-CE2 4.39Å; V326-Y342 HydrophobicContact CG2-CD1 4.38Å; V326-Y342 HydrophobicContact CG2-CD2 4.14Å; V326-Y342 HydrophobicContact CG2-CE1 4.28Å; V326-Y342 HydrophobicContact CG2-CE2 4.08Å; V326-Y342 HydrophobicContact CG2-CG 4.31Å
327	D	95.6	Very high	94.1	Very high	74 Å²	74	71.2 Å²	71.2	40%	0.396	39%	0.394	S	S	.	.	S	Bend	trans	-101.4	106.1	168.4	-176.9	-2.7	0	0	0	109.7	Q325 D329 M330	Q325-D327 WeakPolarHBondContact CB-O 3.38Å; Q325-D327 PolarHBondContact NE2-O 2.83Å; D327-D329 PolarHBondContact O-N 3.43Å; D327-D329 PolarHBondContact OD1-N 2.59Å; D327-M330 HydrophobicContact CB-CB 4.01Å; D327-M330 WeakPolarHBondContact O-CB 3.16Å; D327-M330 PolarHBondContact O-N 2.86Å
328	P	93.2	Very high	93.6	Very high	107 Å²	107	73.3 Å²	73.3	70%	0.695	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.8	179.9	-21.3	34	0	0	0	114.3	V326	V326-P328 WeakPolarHBondContact O-CD 3.49Å
329	D	94.7	Very high	93.4	Very high	153 Å²	153	78.8 Å²	78.8	82%	0.818	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-9.4	-178.9	-67.3	-38.1	0	0	0	112.3	D327 P331	D327-D329 PolarHBondContact O-N 3.43Å; D327-D329 PolarHBondContact OD1-N 2.59Å; D329-P331 WeakPolarHBondContact O-CD 3.37Å
330	M	92.5	Very high	93.3	Very high	49 Å²	49	76.3 Å²	76.3	24%	0.241	40%	0.397	C	S	.	.	S	Bend	trans	-65	127.4	175.4	-176.6	179	-73.7	0	0	110.1	Q325 D327 L334 V335 D340	Q325-M330 PolarHBondContact NE2-O 3.3Å; D327-M330 HydrophobicContact CB-CB 4.01Å; D327-M330 WeakPolarHBondContact O-CB 3.16Å; D327-M330 PolarHBondContact O-N 2.86Å; M330-L334 HydrophobicContact CG-CB 4.12Å; M330-L334 HydrophobicContact SD-CB 4.32Å; M330-V335 HydrophobicContact CG-CG2 4.37Å; M330-V335 HydrophobicContact SD-CG2 3.98Å; M330-D340 HydrophobicContact SD-CB 4.37Å
331	P	93.4	Very high	93.3	Very high	53 Å²	53	74.3 Å²	74.3	34%	0.344	39%	0.386	S	S	.	.			trans	-58.4	133.9	173.3	-23.6	32.5	0	0	0	111.6	D329 E333 L334	D329-P331 WeakPolarHBondContact O-CD 3.37Å; P331-E333 HydrophobicContact CB-CG 4.03Å; P331-E333 WeakPolarHBondContact CB-OE1 3.36Å; P331-E333 PolarHBondContact O-N 3.48Å; P331-L334 HydrophobicContact CB-CD1 4.5Å; P331-L334 HydrophobicContact CB-CG 4.44Å; P331-L334 HydrophobicContact CG-CD1 4.19Å; P331-L334 PolarHBondContact O-N 2.81Å
332	P	89.7	Confident	93.2	Very high	86 Å²	86	73.7 Å²	73.7	56%	0.558	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-55.4	-30.2	-176.6	-28.8	35.8	0	0	0	114.5	L334 V335	P332-L334 PolarHBondContact O-N 3.13Å; P332-V335 WeakPolarHBondContact O-CB 3.32Å; P332-V335 PolarHBondContact O-N 3.07Å
333	E	88.1	Confident	93.1	Very high	141 Å²	141	71.6 Å²	71.6	66%	0.659	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-65.7	-18.4	175.9	53.5	-91.1	-156.5	0	0	114.8	P331	P331-E333 HydrophobicContact CB-CG 4.03Å; P331-E333 WeakPolarHBondContact CB-OE1 3.36Å; P331-E333 PolarHBondContact O-N 3.48Å
334	L	91.1	Very high	93	Very high	106 Å²	106	75.9 Å²	75.9	56%	0.555	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-95.8	-11.9	177.9	-61.8	-177	0	0	0	113.2	M330 P331 P332 T336	M330-L334 HydrophobicContact CG-CB 4.12Å; M330-L334 HydrophobicContact SD-CB 4.32Å; P331-L334 HydrophobicContact CB-CD1 4.5Å; P331-L334 HydrophobicContact CB-CG 4.44Å; P331-L334 HydrophobicContact CG-CD1 4.19Å; P331-L334 PolarHBondContact O-N 2.81Å; P332-L334 PolarHBondContact O-N 3.13Å; L334-T336 PolarHBondContact O-N 3.04Å; L334-T336 PolarHBondContact O-OG1 2.99Å
335	V	91.9	Very high	93.1	Very high	8 Å²	8	76.2 Å²	76.2	5%	0.048	39%	0.39	C	S	.	.			trans	-67.9	103.1	173.8	178.8	0	0	0	0	108.4	V251 Q325 M330 P332 D340 L341	V251-V335 HydrophobicContact CG2-CG1 4.09Å; Q325-V335 HydrophobicContact CG-CG2 4.04Å; M330-V335 HydrophobicContact CG-CG2 4.37Å; M330-V335 HydrophobicContact SD-CG2 3.98Å; P332-V335 WeakPolarHBondContact O-CB 3.32Å; P332-V335 PolarHBondContact O-N 3.07Å; V335-D340 HydrophobicContact CB-CB 4.44Å; V335-D340 HydrophobicContact CG1-CB 3.88Å; V335-L341 HydrophobicContact CG1-CD1 3.96Å; V335-L341 HydrophobicContact CG1-CD2 3.71Å; V335-L341 HydrophobicContact CG1-CG 3.69Å
336	T	89.8	Confident	93.1	Very high	54 Å²	54	74.6 Å²	74.6	33%	0.331	38%	0.383	S	S	.	.			trans	-139.6	-9.7	-170.3	52.2	0	0	0	0	113.7	G255 N256 L334 D340	G255-T336 WeakPolarHBondContact CA-O 3.24Å; N256-T336 PolarHBondContact N-O 2.94Å; L334-T336 PolarHBondContact O-N 3.04Å; L334-T336 PolarHBondContact O-OG1 2.99Å; T336-D340 PolarHBondContact N-OD2 3.38Å; T336-D340 VanDerWaalsContact N-OD2 3.08Å
337	T	89.7	Confident	93.1	Very high	56 Å²	56	72.2 Å²	72.2	34%	0.344	37%	0.369	S	S	.	.	S	Bend	trans	-119.8	155.2	179.2	74	0	0	0	0	110.9	W339 D340	T337-W339 PolarHBondContact O-N 2.77Å; T337-D340 PolarHBondContact N-OD2 3.2Å; T337-D340 WeakPolarHBondContact O-CB 3.45Å; T337-D340 PolarHBondContact O-N 2.84Å; T337-D340 VanDerWaalsContact O-N 3.13Å; T337-D340 PolarHBondContact OG1-OD1 2.84Å; T337-D340 PolarHBondContact OG1-OD2 3.11Å
338	E	87.1	Confident	93.1	Very high	49 Å²	49	70.3 Å²	70.3	23%	0.229	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-56.1	-36.2	177.5	66.9	-176	158.5	0	0	111.4	D340 L341 H343	E338-D340 PolarHBondContact O-N 3.25Å; E338-D340 VanDerWaalsContact O-N 3.13Å; E338-L341 PolarHBondContact O-N 2.97Å; E338-H343 PolarHBondContact O-CE1 3.33Å; E338-H343 VanDerWaalsContact O-CE1 3.24Å; E338-H343 PolarHBondContact O-NE2 3.13Å
339	W	90.9	Very high	93.3	Very high	194 Å²	194	66.9 Å²	66.9	74%	0.735	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-68.2	-12.2	-178.9	-49	102.7	0	0	0	114.8	T337 L341	T337-W339 PolarHBondContact O-N 2.77Å; W339-L341 VanDerWaalsContact C-N 3.28Å
340	D	94.1	Very high	93.4	Very high	29 Å²	29	66 Å²	66	16%	0.155	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-80.9	-11.9	177.5	-60.1	-43.5	0	0	0	112.1	V326 M330 V335 T336 T337 E338	V326-D340 PolarHBondContact N-O 3.15Å; M330-D340 HydrophobicContact SD-CB 4.37Å; V335-D340 HydrophobicContact CB-CB 4.44Å; V335-D340 HydrophobicContact CG1-CB 3.88Å; T336-D340 PolarHBondContact N-OD2 3.38Å; T336-D340 VanDerWaalsContact N-OD2 3.08Å; T337-D340 PolarHBondContact N-OD2 3.2Å; T337-D340 WeakPolarHBondContact O-CB 3.45Å; T337-D340 PolarHBondContact O-N 2.84Å; T337-D340 VanDerWaalsContact O-N 3.13Å; T337-D340 PolarHBondContact OG1-OD1 2.84Å; T337-D340 PolarHBondContact OG1-OD2 3.11Å; E338-D340 PolarHBondContact O-N 3.25Å; E338-D340 VanDerWaalsContact O-N 3.13Å
341	L	95.9	Very high	93.6	Very high	7 Å²	7	65 Å²	65	4%	0.037	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-126.6	147.6	-173.7	-64.7	175.8	0	0	0	112.4	N249 V251 E323 P324 Q325 V335 E338 W339	N249-L341 WeakPolarHBondContact O-CD1 3.28Å; V251-L341 HydrophobicContact CB-CD1 4.11Å; V251-L341 HydrophobicContact CG2-CD1 3.75Å; E323-L341 HydrophobicContact CB-CB 4.22Å; E323-L341 HydrophobicContact CB-CD1 4.07Å; E323-L341 HydrophobicContact CB-CD2 4.12Å; E323-L341 HydrophobicContact CB-CG 4.37Å; P324-L341 WeakPolarHBondContact O-CA 3.28Å; Q325-L341 HydrophobicContact CG-CD2 3.9Å; V335-L341 HydrophobicContact CG1-CD1 3.96Å; V335-L341 HydrophobicContact CG1-CD2 3.71Å; V335-L341 HydrophobicContact CG1-CG 3.69Å; E338-L341 PolarHBondContact O-N 2.97Å; W339-L341 VanDerWaalsContact C-N 3.28Å
342	Y	95.4	Very high	93.8	Very high	127 Å²	127	62.6 Å²	62.6	50%	0.498	32%	0.322	S	S	.	.			trans	-79.1	138.6	156.2	-66.3	-70.2	0	0	0	108.6	E323 P324 V326 D344	E323-Y342 WeakPolarHBondContact CB-O 3.27Å; E323-Y342 VanDerWaalsContact OE2-O 3.04Å; P324-Y342 HydrophobicContact CB-CD2 4.15Å; P324-Y342 PolarHBondContact O-N 3.1Å; V326-Y342 HydrophobicContact CB-CE2 4.39Å; V326-Y342 HydrophobicContact CG2-CD1 4.38Å; V326-Y342 HydrophobicContact CG2-CD2 4.14Å; V326-Y342 HydrophobicContact CG2-CE1 4.28Å; V326-Y342 HydrophobicContact CG2-CE2 4.08Å; V326-Y342 HydrophobicContact CG2-CG 4.31Å; Y342-D344 PolarHBondContact O-N 3.4Å
343	H	95.1	Very high	94.2	Very high	53 Å²	53	59.8 Å²	59.8	25%	0.245	30%	0.301	C	S	.	.			trans	-103.2	55.8	-173.6	-59	-60.1	0	0	0	112.7	E323 E338 Y345 T347	E323-H343 WeakPolarHBondContact OE1-CA 3.44Å; E338-H343 PolarHBondContact O-CE1 3.33Å; E338-H343 VanDerWaalsContact O-CE1 3.24Å; E338-H343 PolarHBondContact O-NE2 3.13Å; H343-Y345 VanDerWaalsContact C-N 3.32Å; H343-T347 HydrophobicContact CB-CG2 3.96Å; H343-T347 PolarHBondContact O-OG1 3.2Å
344	D	95.9	Very high	94.6	Very high	94 Å²	94	57.7 Å²	57.7	50%	0.503	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-23.1	-174.7	-71.1	-19.4	0	0	0	112.7	E323 Y342 Q349	E323-D344 PolarHBondContact OE1-N 2.73Å; E323-D344 PolarHBondContact OE2-N 3.25Å; Y342-D344 PolarHBondContact O-N 3.4Å; D344-Q349 PolarHBondContact O-NE2 2.89Å
345	Y	98.1	Very high	94.9	Very high	56 Å²	56	53.4 Å²	53.4	22%	0.22	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-19.5	-174.5	-57.8	-47.9	0	0	0	113.7	E316 A317 H319 R321 D322 E323 H343	E316-Y345 CarbonylContact C-O 3.54Å; E316-Y345 VanDerWaalsContact CA-O 3.25Å; E316-Y345 WeakPolarHBondContact CA-O 3.43Å; A317-Y345 HydrophobicContact CB-CD1 3.88Å; A317-Y345 HydrophobicContact CB-CG 4.13Å; A317-Y345 PolarHBondContact N-O 3.3Å; H319-Y345 AromaticContact CE1-CD1 3.45Å; H319-Y345 VanDerWaalsContact CE1-CD1 3.45Å; H319-Y345 WeakPolarHBondContact CE1-CD1 3.44Å; H319-Y345 AromaticContact CE1-CE1 3.57Å; H319-Y345 AromaticContact CE1-CG 3.82Å; H319-Y345 AromaticContact NE2-CD1 3.65Å; H319-Y345 AromaticContact NE2-CE1 3.63Å; R321-Y345 HydrophobicContact CB-CE2 4.22Å; D322-Y345 WeakPolarHBondContact O-CE2 3.01Å; E323-Y345 HydrophobicContact CG-CD2 4.36Å; E323-Y345 VanDerWaalsContact OE1-CA 3.32Å; E323-Y345 WeakPolarHBondContact OE1-CA 3.26Å; E323-Y345 WeakPolarHBondContact OE1-CB 3.42Å; E323-Y345 PolarHBondContact OE1-N 3.21Å; E323-Y345 WeakPolarHBondContact OE2-CD2 3.45Å; E323-Y345 PolarHBondContact OE2-N 2.87Å; E323-Y345 VanDerWaalsContact OE2-N 3.15Å; H343-Y345 VanDerWaalsContact C-N 3.32Å
346	T	97.1	Very high	95.2	Very high	6 Å²	6	53 Å²	53	4%	0.037	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-4.3	-177.1	59.3	0	0	0	0	114.9	W250 Q272 E323	W250-T346 HydrophobicContact CB-CG2 4.44Å; W250-T346 HydrophobicContact CD2-CG2 3.45Å; W250-T346 VanDerWaalsContact CD2-CG2 3.45Å; W250-T346 HydrophobicContact CE3-CG2 3.69Å; W250-T346 HydrophobicContact CG-CG2 3.82Å; W250-T346 HydrophobicContact CH2-CG2 4.3Å; W250-T346 HydrophobicContact CZ2-CG2 4.13Å; W250-T346 HydrophobicContact CZ3-CG2 4.11Å; Q272-T346 PolarHBondContact NE2-O 2.96Å; E323-T346 PolarHBondContact OE1-N 2.96Å; E323-T346 PolarHBondContact OE1-OG1 3.04Å
347	T	96	Very high	95.6	Very high	15 Å²	15	53.7 Å²	53.7	9%	0.092	27%	0.266	C	S	.	.	S	Bend	trans	-132	152	178.6	70	0	0	0	0	113.3	K312 H343 Q349	K312-T347 HydrophobicContact CD-CG2 4.46Å; K312-T347 CarbonylContact O-C 3.55Å; K312-T347 VanDerWaalsContact O-CA 3.28Å; K312-T347 WeakPolarHBondContact O-CA 3.25Å; H343-T347 HydrophobicContact CB-CG2 3.96Å; H343-T347 PolarHBondContact O-OG1 3.2Å; T347-Q349 PolarHBondContact O-N 3.32Å; T347-Q349 PolarHBondContact O-NE2 2.91Å
348	S	95.1	Very high	96	Very high	34 Å²	34	55.4 Å²	55.4	24%	0.238	27%	0.27	C	S	.	.	S	Bend	trans	50.5	37.5	169.8	-61	0	0	0	0	114.8	K312	K312-S348 PolarHBondContact O-N 3.07Å
349	Q	97.4	Very high	96.5	Very high	35 Å²	35	53.1 Å²	53.1	16%	0.164	26%	0.259	C	S	.	.			trans	-70.1	158.5	-175.3	-63.5	-62.3	-67.3	0	0	113	L315 D344 T347 G351 L352	L315-Q349 HydrophobicContact CB-CB 3.87Å; L315-Q349 HydrophobicContact CB-CG 4.47Å; L315-Q349 WeakPolarHBondContact O-CB 3.07Å; L315-Q349 WeakPolarHBondContact O-CG 3.31Å; D344-Q349 PolarHBondContact O-NE2 2.89Å; T347-Q349 PolarHBondContact O-N 3.32Å; T347-Q349 PolarHBondContact O-NE2 2.91Å; Q349-G351 PolarHBondContact O-N 2.71Å; Q349-L352 VanDerWaalsContact O-CB 3.31Å; Q349-L352 WeakPolarHBondContact O-CB 3.24Å; Q349-L352 PolarHBondContact O-N 2.89Å; Q349-L352 VanDerWaalsContact O-N 3.13Å
350	V	97.6	Very high	96.9	Very high	135 Å²	135	44 Å²	44	82%	0.818	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	127	174.4	-179.8	0	0	0	0	110.3
351	G	96.6	Very high	97	Very high	27 Å²	27	45.2 Å²	45.2	28%	0.278	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	108.1	-18.9	-176.3	0	0	0	0	0	114	Q349 H353 D354 M355	Q349-G351 PolarHBondContact O-N 2.71Å; G351-H353 PolarHBondContact O-N 3.21Å; G351-D354 PolarHBondContact O-N 2.79Å; G351-M355 PolarHBondContact O-N 2.89Å; G351-M355 VanDerWaalsContact O-N 3.14Å
352	L	97.1	Very high	97.1	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-56.2	-56	-178.8	168.1	58.8	0	0	0	111.9	V311 M314 L315 Q349 D354 M355 L356 Y392	V311-L352 WeakPolarHBondContact O-CD1 3.37Å; M314-L352 HydrophobicContact CB-CD1 4.01Å; M314-L352 HydrophobicContact CG-CD1 4.41Å; M314-L352 HydrophobicContact SD-CD1 3.89Å; L315-L352 HydrophobicContact CD1-CB 4.41Å; Q349-L352 VanDerWaalsContact O-CB 3.31Å; Q349-L352 WeakPolarHBondContact O-CB 3.24Å; Q349-L352 PolarHBondContact O-N 2.89Å; Q349-L352 VanDerWaalsContact O-N 3.13Å; L352-D354 PolarHBondContact O-N 3.24Å; L352-M355 WeakPolarHBondContact O-CB 3.49Å; L352-M355 PolarHBondContact O-N 2.71Å; L352-M355 VanDerWaalsContact O-N 3.12Å; L352-L356 HydrophobicContact CD1-CD1 4.13Å; L352-L356 HydrophobicContact CD1-CG 4.27Å; L352-L356 HydrophobicContact CG-CD1 4.35Å; L352-L356 PolarHBondContact O-N 2.92Å; L352-L356 VanDerWaalsContact O-N 3.1Å; L352-Y392 HydrophobicContact CD2-CE1 4.36Å
353	H	97.9	Very high	97.3	Very high	27 Å²	27	40.1 Å²	40.1	13%	0.125	22%	0.221	C	C	.	.	H	α-helix	trans	-63	-30.7	-178.3	-68.9	-73.1	0	0	0	112.5	G351 M355 L356 R357 Y392 E400	G351-H353 PolarHBondContact O-N 3.21Å; H353-M355 VanDerWaalsContact C-N 3.35Å; H353-L356 PolarHBondContact O-N 2.84Å; H353-R357 WeakPolarHBondContact O-CD 3.43Å; H353-R357 WeakPolarHBondContact O-CG 3.14Å; H353-R357 PolarHBondContact O-N 2.68Å; H353-R357 PolarHBondContact O-NE 3.13Å; H353-Y392 AromaticContact CE1-CD1 3.63Å; H353-Y392 AromaticContact CE1-CE1 3.62Å; H353-Y392 AromaticContact ND1-CD1 3.88Å; H353-E400 IonicContact CE1-OE1 3.96Å; H353-E400 IonicContact CG-OE1 2.68Å; H353-E400 IonicContact ND1-OE1 2.72Å; H353-E400 PolarHBondContact ND1-OE1 3.09Å; H353-E400 IonicContact ND1-OE2 3.14Å
354	D	97.3	Very high	97.4	Very high	98 Å²	98	39.4 Å²	39.4	52%	0.524	22%	0.219	S	C	.	.	H	α-helix	trans	-67.4	-38.1	176.8	-65	-30.5	0	0	0	111.5	G351 L352 R357 E358	G351-D354 PolarHBondContact O-N 2.79Å; L352-D354 PolarHBondContact O-N 3.24Å; D354-R357 WeakPolarHBondContact O-CB 3.11Å; D354-R357 PolarHBondContact O-N 3.03Å; D354-R357 IonicContact OD1-CZ 3.96Å; D354-R357 IonicContact OD1-NH1 3.76Å; D354-R357 PolarHBondContact OD1-NH1 2.77Å; D354-E358 PolarHBondContact O-N 3.07Å
355	M	97	Very high	97.4	Very high	16 Å²	16	39.3 Å²	39.3	8%	0.079	22%	0.219	C	C	.	.	H	α-helix	trans	-66.2	-43.6	174.1	-170.4	168.7	-60.4	0	0	112.5	L282 V288 M314 G351 L352 H353 R357 E358 F359	L282-M355 HydrophobicContact CB-CE 3.91Å; L282-M355 HydrophobicContact CB-SD 4.09Å; L282-M355 HydrophobicContact CD1-SD 4.05Å; L282-M355 HydrophobicContact CD2-SD 3.99Å; L282-M355 HydrophobicContact CG-SD 4.28Å; L282-M355 WeakPolarHBondContact O-CE 3.2Å; V288-M355 HydrophobicContact CG2-CE 3.6Å; V288-M355 HydrophobicContact CG2-SD 4.3Å; M314-M355 HydrophobicContact CE-CG 3.91Å; M314-M355 HydrophobicContact CE-SD 3.32Å; M314-M355 WeakPolarHBondContact CE-SD 3.45Å; G351-M355 PolarHBondContact O-N 2.89Å; G351-M355 VanDerWaalsContact O-N 3.14Å; L352-M355 WeakPolarHBondContact O-CB 3.49Å; L352-M355 PolarHBondContact O-N 2.71Å; L352-M355 VanDerWaalsContact O-N 3.12Å; H353-M355 VanDerWaalsContact C-N 3.35Å; M355-R357 VanDerWaalsContact C-N 3.26Å; M355-R357 PolarHBondContact O-N 3.33Å; M355-E358 WeakPolarHBondContact O-CB 3.32Å; M355-E358 PolarHBondContact O-N 3.09Å; M355-E358 VanDerWaalsContact O-N 3.1Å; M355-F359 HydrophobicContact CG-CE1 3.82Å; M355-F359 HydrophobicContact CG-CE2 3.99Å; M355-F359 HydrophobicContact CG-CZ 3.48Å; M355-F359 VanDerWaalsContact CG-CZ 3.48Å; M355-F359 WeakPolarHBondContact O-CG 3.47Å; M355-F359 PolarHBondContact O-N 2.87Å; M355-F359 HydrophobicContact SD-CZ 3.9Å
356	L	98.1	Very high	97.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-34.4	175.8	-66.2	175.4	0	0	0	112.2	V311 M314 L352 H353 F359 R360 T378 Y392 E400	V311-L356 HydrophobicContact CB-CD1 4.28Å; V311-L356 HydrophobicContact CB-CD2 4.27Å; V311-L356 HydrophobicContact CG1-CD2 3.95Å; V311-L356 HydrophobicContact CG2-CD1 4.26Å; M314-L356 HydrophobicContact SD-CD2 4.21Å; L352-L356 HydrophobicContact CD1-CD1 4.13Å; L352-L356 HydrophobicContact CD1-CG 4.27Å; L352-L356 HydrophobicContact CG-CD1 4.35Å; L352-L356 PolarHBondContact O-N 2.92Å; L352-L356 VanDerWaalsContact O-N 3.1Å; H353-L356 PolarHBondContact O-N 2.84Å; L356-F359 HydrophobicContact CD2-CD2 4.26Å; L356-F359 PolarHBondContact O-N 2.89Å; L356-R360 WeakPolarHBondContact O-CB 3.46Å; L356-R360 PolarHBondContact O-N 2.94Å; L356-T378 HydrophobicContact CD1-CG2 4.23Å; L356-T378 HydrophobicContact CD2-CG2 4.39Å; L356-Y392 HydrophobicContact CD1-CD1 3.66Å; L356-Y392 HydrophobicContact CD1-CE1 3.59Å; L356-E400 HydrophobicContact CB-CG 3.99Å
357	R	98.2	Very high	97.5	Very high	67 Å²	67	40.3 Å²	40.3	25%	0.253	23%	0.225	S	C	.	.	H	α-helix	trans	-68	-35.6	173.7	-68.9	156.7	-170	166.4	3.3	112.1	H353 D354 M355 R360 A361 V398 E400	H353-R357 WeakPolarHBondContact O-CD 3.43Å; H353-R357 WeakPolarHBondContact O-CG 3.14Å; H353-R357 PolarHBondContact O-N 2.68Å; H353-R357 PolarHBondContact O-NE 3.13Å; D354-R357 WeakPolarHBondContact O-CB 3.11Å; D354-R357 PolarHBondContact O-N 3.03Å; D354-R357 IonicContact OD1-CZ 3.96Å; D354-R357 IonicContact OD1-NH1 3.76Å; D354-R357 PolarHBondContact OD1-NH1 2.77Å; M355-R357 VanDerWaalsContact C-N 3.26Å; M355-R357 PolarHBondContact O-N 3.33Å; R357-R360 PolarHBondContact O-N 3.01Å; R357-A361 WeakPolarHBondContact O-CB 3.4Å; R357-A361 PolarHBondContact O-N 3.13Å; R357-V398 HydrophobicContact CG-CG1 3.91Å; R357-E400 HydrophobicContact CG-CB 4.15Å; R357-E400 HydrophobicContact CG-CG 3.92Å; R357-E400 IonicContact CZ-OE2 2.64Å; R357-E400 IonicContact NE-OE2 2.87Å; R357-E400 PolarHBondContact NE-OE2 3.24Å; R357-E400 IonicContact NH2-OE2 3.35Å; R357-E400 PolarHBondContact NH2-OE2 2.82Å; R357-E400 VanDerWaalsContact NH2-OE2 3.09Å
358	E	97.5	Very high	97.4	Very high	93 Å²	93	48.6 Å²	48.6	44%	0.435	25%	0.254	S	S	.	.	H	α-helix	trans	-64.2	-46.4	173.9	-171.1	169.6	-170	0	0	110.9	I292 D354 M355 R360 A361 V362	I292-E358 HydrophobicContact CD1-CG 3.91Å; D354-E358 PolarHBondContact O-N 3.07Å; M355-E358 WeakPolarHBondContact O-CB 3.32Å; M355-E358 PolarHBondContact O-N 3.09Å; M355-E358 VanDerWaalsContact O-N 3.1Å; E358-R360 VanDerWaalsContact C-N 3.33Å; E358-R360 PolarHBondContact O-N 2.95Å; E358-A361 WeakPolarHBondContact O-CB 3.36Å; E358-A361 PolarHBondContact O-N 3.05Å; E358-A361 VanDerWaalsContact O-N 3.13Å; E358-V362 PolarHBondContact O-N 3.04Å; E358-V362 VanDerWaalsContact O-N 3.14Å
359	F	98.3	Very high	97.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.4	-44.1	173.9	-59.9	-13.5	0	0	0	111.6	P211 V288 I291 I292 I295 M308 M314 M355 L356 A361 V362 M363 M376	P211-F359 HydrophobicContact CB-CE2 4.3Å; V288-F359 HydrophobicContact CG1-CE1 4.41Å; I291-F359 HydrophobicContact CB-CE1 4.46Å; I291-F359 HydrophobicContact CB-CZ 4.33Å; I291-F359 HydrophobicContact CG2-CE1 3.73Å; I291-F359 HydrophobicContact CG2-CE2 4.04Å; I291-F359 HydrophobicContact CG2-CZ 3.41Å; I291-F359 VanDerWaalsContact CG2-CZ 3.41Å; I292-F359 HydrophobicContact CG1-CD1 4.01Å; I292-F359 HydrophobicContact CG1-CE1 4.09Å; I295-F359 HydrophobicContact CD1-CB 3.97Å; I295-F359 HydrophobicContact CD1-CD1 3.99Å; I295-F359 HydrophobicContact CD1-CD2 4.17Å; I295-F359 HydrophobicContact CD1-CG 3.79Å; M308-F359 HydrophobicContact CE-CB 4.42Å; M314-F359 HydrophobicContact CE-CE2 3.72Å; M314-F359 HydrophobicContact CE-CZ 4.11Å; M355-F359 HydrophobicContact CG-CE1 3.82Å; M355-F359 HydrophobicContact CG-CE2 3.99Å; M355-F359 HydrophobicContact CG-CZ 3.48Å; M355-F359 VanDerWaalsContact CG-CZ 3.48Å; M355-F359 WeakPolarHBondContact O-CG 3.47Å; M355-F359 PolarHBondContact O-N 2.87Å; M355-F359 HydrophobicContact SD-CZ 3.9Å; L356-F359 HydrophobicContact CD2-CD2 4.26Å; L356-F359 PolarHBondContact O-N 2.89Å; F359-A361 VanDerWaalsContact C-N 3.31Å; F359-A361 PolarHBondContact O-N 3.25Å; F359-V362 PolarHBondContact O-N 2.82Å; F359-M363 WeakPolarHBondContact O-CG 3.44Å; F359-M363 PolarHBondContact O-N 3.08Å; F359-M376 HydrophobicContact CB-SD 4.48Å
360	R	98.4	Very high	97.1	Very high	3 Å²	3	56.4 Å²	56.4	1%	0.011	30%	0.298	C	S	.	.	H	α-helix	trans	-59.3	-40.5	175.3	-176.6	62.2	-91.9	-179	-9.9	112.5	L356 R357 E358 M363 D364 Y373 R374 M376 K399 E400 D402	L356-R360 WeakPolarHBondContact O-CB 3.46Å; L356-R360 PolarHBondContact O-N 2.94Å; R357-R360 PolarHBondContact O-N 3.01Å; E358-R360 VanDerWaalsContact C-N 3.33Å; E358-R360 PolarHBondContact O-N 2.95Å; R360-M363 PolarHBondContact O-N 3.46Å; R360-D364 IonicContact CZ-OD1 3.07Å; R360-D364 IonicContact NE-OD1 2.78Å; R360-D364 PolarHBondContact NE-OD1 3.02Å; R360-D364 VanDerWaalsContact NE-OD1 3.15Å; R360-D364 IonicContact NH2-OD1 3.95Å; R360-D364 PolarHBondContact NH2-OD1 2.87Å; R360-D364 PolarHBondContact O-N 3.32Å; R360-Y373 PolarHBondContact NH1-OH 3.26Å; R360-R374 VanDerWaalsContact CZ-O 3.31Å; R360-R374 PolarHBondContact NH1-O 3.44Å; R360-R374 PolarHBondContact NH2-O 2.95Å; R360-M376 HydrophobicContact CB-CE 3.82Å; R360-M376 HydrophobicContact CB-SD 4.36Å; R360-M376 HydrophobicContact CG-CE 4.38Å; R360-K399 HydrophobicContact CG-CB 4.16Å; R360-E400 WeakPolarHBondContact CD-O 3.03Å; R360-E400 WeakPolarHBondContact CG-O 3.37Å; R360-D402 IonicContact NH1-OD2 3.73Å; R360-D402 PolarHBondContact NH1-OD2 3.4Å
361	A	97.6	Very high	96.7	Very high	55 Å²	55	53 Å²	53	46%	0.455	29%	0.291	S	S	.	.	H	α-helix	trans	-63.6	-43	179.9	0	0	0	0	0	111.4	R357 E358 F359 M363 D364 D365	R357-A361 WeakPolarHBondContact O-CB 3.4Å; R357-A361 PolarHBondContact O-N 3.13Å; E358-A361 WeakPolarHBondContact O-CB 3.36Å; E358-A361 PolarHBondContact O-N 3.05Å; E358-A361 VanDerWaalsContact O-N 3.13Å; F359-A361 VanDerWaalsContact C-N 3.31Å; F359-A361 PolarHBondContact O-N 3.25Å; A361-M363 PolarHBondContact O-N 2.89Å; A361-D364 WeakPolarHBondContact O-CB 3.49Å; A361-D364 PolarHBondContact O-N 3.07Å; A361-D365 PolarHBondContact O-N 3.16Å
362	V	97.7	Very high	96.6	Very high	26 Å²	26	55.8 Å²	55.8	16%	0.158	29%	0.292	C	S	.	.	H	α-helix	trans	-59.3	-48.2	173.9	175.6	0	0	0	0	110.4	I292 E358 F359 D364 D365 Y366	I292-V362 HydrophobicContact CG1-CG2 4.34Å; I292-V362 HydrophobicContact CG2-CG1 4.25Å; I292-V362 HydrophobicContact CG2-CG2 3.74Å; E358-V362 PolarHBondContact O-N 3.04Å; E358-V362 VanDerWaalsContact O-N 3.14Å; F359-V362 PolarHBondContact O-N 2.82Å; V362-D364 VanDerWaalsContact C-N 3.25Å; V362-D364 PolarHBondContact O-N 2.85Å; V362-D365 WeakPolarHBondContact O-CB 3.45Å; V362-D365 PolarHBondContact O-N 3.24Å; V362-D365 VanDerWaalsContact O-N 3.13Å; V362-Y366 HydrophobicContact CG1-CE2 4.36Å; V362-Y366 WeakPolarHBondContact O-CD2 3.5Å
363	M	98.4	Very high	96.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.8	-28.8	178.8	-64.9	175.2	70.6	0	0	113.4	I295 L299 F306 M308 F359 R360 A361 D365 Y366 S367 R374 F375 M376	I295-M363 HydrophobicContact CG2-CG 4.02Å; L299-M363 HydrophobicContact CD1-CB 4.46Å; L299-M363 HydrophobicContact CD1-CG 4.02Å; F306-M363 HydrophobicContact CD2-CE 3.75Å; F306-M363 HydrophobicContact CD2-SD 4.15Å; F306-M363 HydrophobicContact CE2-CE 4.45Å; M308-M363 HydrophobicContact CE-SD 4Å; F359-M363 WeakPolarHBondContact O-CG 3.44Å; F359-M363 PolarHBondContact O-N 3.08Å; R360-M363 PolarHBondContact O-N 3.46Å; A361-M363 PolarHBondContact O-N 2.89Å; M363-D365 VanDerWaalsContact C-N 3.31Å; M363-Y366 PolarHBondContact O-N 3.35Å; M363-S367 PolarHBondContact O-N 2.96Å; M363-S367 PolarHBondContact O-OG 3.45Å; M363-R374 HydrophobicContact CB-CB 4.31Å; M363-R374 HydrophobicContact CE-CB 4.1Å; M363-F375 WeakPolarHBondContact CE-O 3.44Å; M363-M376 HydrophobicContact CE-CB 3.74Å; M363-M376 HydrophobicContact CE-CG 4.31Å; M363-M376 HydrophobicContact SD-CB 3.85Å; M363-M376 HydrophobicContact SD-CG 3.93Å; M363-M376 HydrophobicContact SD-SD 3.7Å; M363-M376 VanDerWaalsContact SD-SD 3.7Å
364	D	97.6	Very high	96.6	Very high	39 Å²	39	55.7 Å²	55.7	21%	0.209	29%	0.291	C	S	.	.	H	α-helix	trans	-67.2	-30.2	175.9	-91.6	12.5	0	0	0	112.3	R360 A361 V362 Y366 S367 K399	R360-D364 IonicContact CZ-OD1 3.07Å; R360-D364 IonicContact NE-OD1 2.78Å; R360-D364 PolarHBondContact NE-OD1 3.02Å; R360-D364 VanDerWaalsContact NE-OD1 3.15Å; R360-D364 IonicContact NH2-OD1 3.95Å; R360-D364 PolarHBondContact NH2-OD1 2.87Å; R360-D364 PolarHBondContact O-N 3.32Å; A361-D364 WeakPolarHBondContact O-CB 3.49Å; A361-D364 PolarHBondContact O-N 3.07Å; V362-D364 VanDerWaalsContact C-N 3.25Å; V362-D364 PolarHBondContact O-N 2.85Å; D364-Y366 VanDerWaalsContact C-N 3.33Å; D364-Y366 PolarHBondContact O-N 3.17Å; D364-S367 WeakPolarHBondContact O-CB 3.2Å; D364-S367 PolarHBondContact O-N 3.49Å; D364-K399 IonicContact OD1-NZ 2.88Å; D364-K399 IonicContact OD2-NZ 3.89Å; D364-K399 PolarHBondContact OD2-NZ 2.87Å
365	D	97.3	Very high	96.7	Very high	92 Å²	92	51.1 Å²	51.1	49%	0.492	27%	0.266	S	S	.	.	H	α-helix	trans	-65.1	-37.6	174.5	-74.7	-16.8	0	0	0	112.1	A361 V362 M363 S367 R368	A361-D365 PolarHBondContact O-N 3.16Å; V362-D365 WeakPolarHBondContact O-CB 3.45Å; V362-D365 PolarHBondContact O-N 3.24Å; V362-D365 VanDerWaalsContact O-N 3.13Å; M363-D365 VanDerWaalsContact C-N 3.31Å; D365-S367 PolarHBondContact O-N 3.3Å; D365-R368 IonicContact OD1-CZ 3.88Å; D365-R368 VanDerWaalsContact OD1-CZ 3.31Å; D365-R368 IonicContact OD1-NE 2.88Å; D365-R368 PolarHBondContact OD1-NE 3.18Å; D365-R368 IonicContact OD1-NH2 3.41Å; D365-R368 PolarHBondContact OD1-NH2 3.46Å
366	Y	97.7	Very high	96.8	Very high	64 Å²	64	50.3 Å²	50.3	25%	0.251	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-1.7	173.2	-67.4	-93.9	0	0	0	113.7	S296 L299 E300 V362 M363 D364 R374	S296-Y366 WeakPolarHBondContact CB-OH 3.42Å; S296-Y366 PolarHBondContact OG-OH 3.17Å; L299-Y366 HydrophobicContact CB-CD1 3.76Å; L299-Y366 HydrophobicContact CB-CD2 4.16Å; L299-Y366 HydrophobicContact CB-CE1 3.98Å; L299-Y366 HydrophobicContact CB-CE2 4.36Å; L299-Y366 HydrophobicContact CB-CG 3.86Å; L299-Y366 HydrophobicContact CD1-CD2 3.5Å; L299-Y366 VanDerWaalsContact CD1-CD2 3.5Å; L299-Y366 HydrophobicContact CD1-CE2 3.99Å; L299-Y366 HydrophobicContact CD1-CG 3.82Å; L299-Y366 HydrophobicContact CG-CD2 4.47Å; L299-Y366 HydrophobicContact CG-CG 4.41Å; E300-Y366 HydrophobicContact CG-CE1 3.7Å; E300-Y366 PolarHBondContact OE1-OH 3.19Å; V362-Y366 HydrophobicContact CG1-CE2 4.36Å; V362-Y366 WeakPolarHBondContact O-CD2 3.5Å; M363-Y366 PolarHBondContact O-N 3.35Å; D364-Y366 VanDerWaalsContact C-N 3.33Å; D364-Y366 PolarHBondContact O-N 3.17Å; Y366-R374 PolarHBondContact O-NE 3.06Å
367	S	97.7	Very high	96.8	Very high	18 Å²	18	50.3 Å²	50.3	13%	0.126	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	2.4	-178.3	-60.4	0	0	0	0	113.8	M363 D364 D365 E369 R374	M363-S367 PolarHBondContact O-N 2.96Å; M363-S367 PolarHBondContact O-OG 3.45Å; D364-S367 WeakPolarHBondContact O-CB 3.2Å; D364-S367 PolarHBondContact O-N 3.49Å; D365-S367 PolarHBondContact O-N 3.3Å; S367-E369 VanDerWaalsContact C-N 3.29Å; S367-E369 PolarHBondContact O-N 3.27Å; S367-R374 WeakPolarHBondContact OG-CB 3.41Å; S367-R374 WeakPolarHBondContact OG-CG 3.34Å; S367-R374 PolarHBondContact OG-N 2.65Å
368	R	94.9	Very high	96.8	Very high	189 Å²	189	47.1 Å²	47.1	71%	0.713	25%	0.251	S	S	*	.			trans	-68.3	-27.3	-177.8	-64.8	178.3	-175.8	-179.9	2.5	113.1	D365 P370	D365-R368 IonicContact OD1-CZ 3.88Å; D365-R368 VanDerWaalsContact OD1-CZ 3.31Å; D365-R368 IonicContact OD1-NE 2.88Å; D365-R368 PolarHBondContact OD1-NE 3.18Å; D365-R368 IonicContact OD1-NH2 3.41Å; D365-R368 PolarHBondContact OD1-NH2 3.46Å; R368-P370 WeakPolarHBondContact O-CD 3.46Å
369	E	93.4	Very high	96.8	Very high	108 Å²	108	43.3 Å²	43.3	51%	0.505	23%	0.233	S	C	.	.	S	Bend	trans	-73.1	120.6	176.6	-168.5	-174.7	158.8	0	0	110.4	S367 G371 R372	S367-E369 VanDerWaalsContact C-N 3.29Å; S367-E369 PolarHBondContact O-N 3.27Å; E369-G371 PolarHBondContact O-N 2.73Å; E369-R372 HydrophobicContact CB-CB 4.35Å; E369-R372 PolarHBondContact O-N 2.99Å; E369-R372 VanDerWaalsContact O-N 3.08Å; E369-R372 WeakPolarHBondContact OE1-CD 3.4Å; E369-R372 WeakPolarHBondContact OE2-CD 3.43Å; E369-R372 IonicContact OE2-CZ 3.5Å; E369-R372 IonicContact OE2-NH1 2.85Å; E369-R372 PolarHBondContact OE2-NH1 3.16Å; E369-R372 VanDerWaalsContact OE2-NH1 3.07Å
370	P	92.4	Very high	96.6	Very high	126 Å²	126	43.6 Å²	43.6	82%	0.818	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	131.5	179.3	-25.9	34.9	0	0	0	112.2	R368 R372	R368-P370 WeakPolarHBondContact O-CD 3.46Å; P370-R372 VanDerWaalsContact C-N 3.33Å
371	G	90.1	Very high	96.2	Very high	64 Å²	64	45.7 Å²	45.7	66%	0.66	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.3	-6.3	-178.5	0	0	0	0	0	115.2	E369	E369-G371 PolarHBondContact O-N 2.73Å
372	R	94.2	Very high	95.7	Very high	84 Å²	84	43.6 Å²	43.6	32%	0.317	22%	0.224	S	C	.	.			trans	-118.1	39.6	177.7	-59.9	-172.4	76.2	-166.2	4.1	113.3	E369 P370 R374	E369-R372 HydrophobicContact CB-CB 4.35Å; E369-R372 PolarHBondContact O-N 2.99Å; E369-R372 VanDerWaalsContact O-N 3.08Å; E369-R372 WeakPolarHBondContact OE1-CD 3.4Å; E369-R372 WeakPolarHBondContact OE2-CD 3.43Å; E369-R372 IonicContact OE2-CZ 3.5Å; E369-R372 IonicContact OE2-NH1 2.85Å; E369-R372 PolarHBondContact OE2-NH1 3.16Å; E369-R372 VanDerWaalsContact OE2-NH1 3.07Å; P370-R372 VanDerWaalsContact C-N 3.33Å; R372-R374 PolarHBondContact O-N 3.39Å; R372-R374 PolarHBondContact O-NE 3.49Å
373	Y	97.6	Very high	94.8	Very high	21 Å²	21	45.5 Å²	45.5	8%	0.082	23%	0.229	C	C	.	.			trans	-60.3	131.5	173.3	-178.3	-96.5	0	0	0	111.3	R113 W114 W115 R360 D402	R113-Y373 VanDerWaalsContact CZ-CE2 3.46Å; R113-Y373 VanDerWaalsContact NH1-CE1 3.34Å; R113-Y373 PolarHBondContact NH1-OH 2.04Å; W114-Y373 PolarHBondContact NE1-O 3.46Å; W115-Y373 AromaticContact CD1-CD1 3.81Å; W115-Y373 AromaticContact NE1-CD1 3.47Å; W115-Y373 AromaticContact NE1-CE1 3.38Å; R360-Y373 PolarHBondContact NH1-OH 3.26Å; Y373-D402 VanDerWaalsContact CE1-OD1 3.28Å; Y373-D402 WeakPolarHBondContact CE1-OD1 3.4Å; Y373-D402 WeakPolarHBondContact CE1-OD2 3.28Å; Y373-D402 VanDerWaalsContact CZ-OD1 3.3Å; Y373-D402 VanDerWaalsContact OH-CG 3.32Å; Y373-D402 PolarHBondContact OH-OD1 3Å; Y373-D402 PolarHBondContact OH-OD2 3.05Å
374	R	98.3	Very high	94	Very high	6 Å²	6	54.7 Å²	54.7	2%	0.023	27%	0.272	C	S	.	.			trans	-91.7	115.9	178.3	-51.1	-55.1	174	168.3	1.7	110.6	L299 G302 V303 D304 R360 M363 Y366 S367 R372	L299-R374 HydrophobicContact CD2-CB 4.15Å; L299-R374 HydrophobicContact CD2-CG 3.83Å; G302-R374 PolarHBondContact O-NH1 3.3Å; V303-R374 PolarHBondContact O-NH1 3.14Å; D304-R374 CarbonylContact O-C 3.58Å; D304-R374 VanDerWaalsContact O-CA 3.29Å; D304-R374 WeakPolarHBondContact O-CA 3.33Å; D304-R374 IonicContact OD1-NH1 3.68Å; R360-R374 VanDerWaalsContact CZ-O 3.31Å; R360-R374 PolarHBondContact NH1-O 3.44Å; R360-R374 PolarHBondContact NH2-O 2.95Å; M363-R374 HydrophobicContact CB-CB 4.31Å; M363-R374 HydrophobicContact CE-CB 4.1Å; Y366-R374 PolarHBondContact O-NE 3.06Å; S367-R374 WeakPolarHBondContact OG-CB 3.41Å; S367-R374 WeakPolarHBondContact OG-CG 3.34Å; S367-R374 PolarHBondContact OG-N 2.65Å; R372-R374 PolarHBondContact O-N 3.39Å; R372-R374 PolarHBondContact O-NE 3.49Å
375	F	98.5	Very high	93.7	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.009	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	136.1	-175.5	176.4	-107.5	0	0	0	111.5	W114 W115 I206 D304 G305 F306 M363 V377 D402 F403	W114-F375 HydrophobicContact CH2-CB 3.69Å; W114-F375 HydrophobicContact CH2-CD1 4.46Å; W114-F375 HydrophobicContact CH2-CG 4.19Å; W114-F375 HydrophobicContact CZ2-CB 3.48Å; W114-F375 VanDerWaalsContact CZ2-CB 3.48Å; W114-F375 HydrophobicContact CZ2-CG 4.38Å; W115-F375 HydrophobicContact CB-CD2 3.84Å; W115-F375 HydrophobicContact CB-CE2 4.17Å; W115-F375 HydrophobicContact CB-CG 4.31Å; W115-F375 AromaticContact CD1-CD2 3.69Å; W115-F375 AromaticContact CD2-CD2 3.71Å; W115-F375 HydrophobicContact CD2-CD2 3.71Å; W115-F375 AromaticContact CD2-CE2 3.77Å; W115-F375 HydrophobicContact CD2-CE2 3.77Å; W115-F375 HydrophobicContact CE3-CD2 4.25Å; W115-F375 AromaticContact CE3-CE2 3.82Å; W115-F375 HydrophobicContact CE3-CE2 3.82Å; W115-F375 AromaticContact CG-CD2 3.52Å; W115-F375 HydrophobicContact CG-CD2 3.52Å; W115-F375 AromaticContact CG-CE2 3.96Å; W115-F375 HydrophobicContact CG-CE2 3.96Å; W115-F375 HydrophobicContact CG-CG 4.32Å; W115-F375 HydrophobicContact CZ3-CE2 4.35Å; W115-F375 AromaticContact NE1-CD2 3.95Å; I206-F375 HydrophobicContact CD1-CD1 3.67Å; I206-F375 HydrophobicContact CD1-CE1 3.91Å; I206-F375 HydrophobicContact CG1-CD1 4.08Å; D304-F375 PolarHBondContact O-N 3.49Å; G305-F375 CarbonylContact C-O 3.28Å; G305-F375 WeakPolarHBondContact CA-O 3.4Å; F306-F375 PolarHBondContact N-O 3.2Å; M363-F375 WeakPolarHBondContact CE-O 3.44Å; F375-V377 HydrophobicContact CD1-CG1 4.44Å; F375-V377 HydrophobicContact CE1-CB 3.58Å; F375-V377 HydrophobicContact CE1-CG1 3.59Å; F375-V377 HydrophobicContact CZ-CB 3.67Å; F375-V377 HydrophobicContact CZ-CG1 4.2Å; F375-V377 HydrophobicContact CZ-CG2 4.47Å; F375-D402 WeakPolarHBondContact CA-OD2 3.34Å; F375-D402 HydrophobicContact CD2-CB 3.74Å; F375-D402 WeakPolarHBondContact CD2-OD2 3.38Å; F375-D402 HydrophobicContact CE2-CB 3.52Å; F375-F403 HydrophobicContact CE1-CZ 4.47Å; F375-F403 HydrophobicContact CE2-CD1 4.15Å; F375-F403 AromaticContact CE2-CE1 3.67Å; F375-F403 HydrophobicContact CE2-CE1 3.67Å; F375-F403 AromaticContact CE2-CZ 3.97Å; F375-F403 HydrophobicContact CE2-CZ 3.97Å; F375-F403 HydrophobicContact CZ-CD1 4.29Å; F375-F403 AromaticContact CZ-CE1 3.63Å; F375-F403 HydrophobicContact CZ-CE1 3.63Å; F375-F403 AromaticContact CZ-CE2 3.87Å; F375-F403 HydrophobicContact CZ-CE2 3.87Å; F375-F403 AromaticContact CZ-CZ 3.4Å; F375-F403 HydrophobicContact CZ-CZ 3.4Å; F375-F403 VanDerWaalsContact CZ-CZ 3.4Å
376	M	98.6	Very high	93.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	124.2	171.6	-168	174.1	79.6	0	0	109.3	F306 M308 F359 R360 M363 E400 S401 D402	F306-M376 WeakPolarHBondContact O-CA 3.32Å; M308-M376 HydrophobicContact CE-CG 3.97Å; M308-M376 HydrophobicContact CE-SD 3.74Å; M308-M376 HydrophobicContact CG-CG 3.98Å; M308-M376 HydrophobicContact CG-SD 4.26Å; F359-M376 HydrophobicContact CB-SD 4.48Å; R360-M376 HydrophobicContact CB-CE 3.82Å; R360-M376 HydrophobicContact CB-SD 4.36Å; R360-M376 HydrophobicContact CG-CE 4.38Å; M363-M376 HydrophobicContact CE-CB 3.74Å; M363-M376 HydrophobicContact CE-CG 4.31Å; M363-M376 HydrophobicContact SD-CB 3.85Å; M363-M376 HydrophobicContact SD-CG 3.93Å; M363-M376 HydrophobicContact SD-SD 3.7Å; M363-M376 VanDerWaalsContact SD-SD 3.7Å; M376-E400 VanDerWaalsContact CE-C 3.47Å; M376-E400 WeakPolarHBondContact CE-O 3.44Å; M376-S401 PolarHBondContact O-OG 3.28Å; M376-S401 VanDerWaalsContact O-OG 3.11Å; M376-D402 PolarHBondContact N-OD2 3.08Å; M376-D402 WeakPolarHBondContact O-CB 3.23Å; M376-D402 PolarHBondContact O-N 2.82Å
377	V	98.4	Very high	93.4	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	144.1	170.3	59.6	0	0	0	0	108.7	F306 R307 M308 F375 S401 F403 F405	F306-V377 PolarHBondContact O-N 3.39Å; R307-V377 CarbonylContact C-O 3.56Å; R307-V377 WeakPolarHBondContact CA-O 3.28Å; R307-V377 HydrophobicContact CB-CG1 3.81Å; R307-V377 HydrophobicContact CG-CG1 4.31Å; M308-V377 PolarHBondContact N-O 3.47Å; F375-V377 HydrophobicContact CD1-CG1 4.44Å; F375-V377 HydrophobicContact CE1-CB 3.58Å; F375-V377 HydrophobicContact CE1-CG1 3.59Å; F375-V377 HydrophobicContact CZ-CB 3.67Å; F375-V377 HydrophobicContact CZ-CG1 4.2Å; F375-V377 HydrophobicContact CZ-CG2 4.47Å; V377-S401 WeakPolarHBondContact CA-OG 3.12Å; V377-F403 WeakPolarHBondContact CA-O 3.34Å; V377-F403 HydrophobicContact CB-CD2 4.45Å; V377-F403 HydrophobicContact CB-CE2 4.27Å; V377-F403 HydrophobicContact CG2-CD2 3.69Å; V377-F403 HydrophobicContact CG2-CE2 3.6Å; V377-F403 VanDerWaalsContact CG2-O 3.28Å; V377-F403 WeakPolarHBondContact CG2-O 3.41Å; V377-F405 HydrophobicContact CB-CD2 4.41Å; V377-F405 HydrophobicContact CB-CE2 4.11Å; V377-F405 HydrophobicContact CB-CZ 4.46Å; V377-F405 HydrophobicContact CG1-CD2 4.16Å; V377-F405 HydrophobicContact CG1-CE2 3.45Å; V377-F405 VanDerWaalsContact CG1-CE2 3.45Å; V377-F405 HydrophobicContact CG1-CZ 3.82Å; V377-F405 HydrophobicContact CG2-CB 4.38Å; V377-F405 HydrophobicContact CG2-CD1 4Å; V377-F405 HydrophobicContact CG2-CD2 3.31Å; V377-F405 HydrophobicContact CG2-CE1 4.08Å; V377-F405 HydrophobicContact CG2-CE2 3.41Å; V377-F405 VanDerWaalsContact CG2-CE2 3.41Å; V377-F405 HydrophobicContact CG2-CG 3.62Å; V377-F405 HydrophobicContact CG2-CZ 3.81Å
378	T	98.3	Very high	93.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	140	178.7	48.5	0	0	0	0	109.8	M308 V311 L356 Y392 S401 P404 F405	M308-T378 HydrophobicContact CB-CG2 4.25Å; V311-T378 HydrophobicContact CG1-CG2 4.27Å; V311-T378 HydrophobicContact CG2-CG2 4.42Å; L356-T378 HydrophobicContact CD1-CG2 4.23Å; L356-T378 HydrophobicContact CD2-CG2 4.39Å; T378-Y392 HydrophobicContact CG2-CD1 4.46Å; T378-S401 PolarHBondContact N-OG 2.7Å; T378-S401 PolarHBondContact OG1-OG 2.88Å; T378-P404 WeakPolarHBondContact OG1-CA 3.13Å; T378-F405 PolarHBondContact O-N 3.27Å
379	E	97.1	Very high	93.3	Very high	13 Å²	13	49.1 Å²	49.1	6%	0.061	25%	0.254	C	S	.	.			trans	-104.3	121.5	173.7	-174.8	-112.6	-148.5	0	0	110.5	R307 M308 A310 V311 Y381 F405 F407	R307-E379 HydrophobicContact CG-CB 4.47Å; R307-E379 IonicContact NH2-OE1 3.72Å; R307-E379 PolarHBondContact NH2-OE1 3.13Å; R307-E379 IonicContact NH2-OE2 3.71Å; M308-E379 PolarHBondContact O-N 3.35Å; A310-E379 WeakPolarHBondContact CA-OE2 2.89Å; A310-E379 PolarHBondContact N-OE2 3.05Å; V311-E379 WeakPolarHBondContact CG2-O 3.33Å; V311-E379 PolarHBondContact N-O 3.37Å; E379-Y381 HydrophobicContact CG-CE2 4.4Å; E379-Y381 WeakPolarHBondContact OE1-CE2 3.35Å; E379-F405 HydrophobicContact CB-CD2 4.48Å; E379-F407 HydrophobicContact CB-CZ 4.46Å; E379-F407 HydrophobicContact CG-CE2 3.59Å; E379-F407 HydrophobicContact CG-CZ 3.58Å
380	S	94.1	Very high	93.5	Very high	5 Å²	5	44.5 Å²	44.5	4%	0.035	23%	0.233	C	C	.	.			trans	-150.8	131.6	173.1	-166.8	0	0	0	0	109.6	D382	S380-D382 WeakPolarHBondContact CB-OD2 3.46Å; S380-D382 PolarHBondContact OG-OD2 3.28Å
381	Y	90.1	Very high	93.7	Very high	47 Å²	47	43.2 Å²	43.2	18%	0.184	22%	0.217	C	C	.	.			trans	-100	85.4	173.8	-67.6	-77.1	0	0	0	109.7	K312 E379 Y383 F407 L410 N444	K312-Y381 PolarHBondContact NZ-O 3.27Å; E379-Y381 HydrophobicContact CG-CE2 4.4Å; E379-Y381 WeakPolarHBondContact OE1-CE2 3.35Å; Y381-Y383 HydrophobicContact CD1-CE1 4.39Å; Y381-Y383 AromaticContact CD1-CE2 3.6Å; Y381-Y383 HydrophobicContact CD1-CE2 3.6Å; Y381-Y383 AromaticContact CD1-CZ 3.44Å; Y381-Y383 VanDerWaalsContact CD1-CZ 3.44Å; Y381-Y383 WeakPolarHBondContact CD1-OH 3.29Å; Y381-Y383 VanDerWaalsContact CE1-OH 3.25Å; Y381-Y383 WeakPolarHBondContact CE1-OH 3.45Å; Y381-Y383 HydrophobicContact CG-CE2 4.05Å; Y381-F407 HydrophobicContact CD1-CB 3.95Å; Y381-F407 AromaticContact CD1-CD2 3.5Å; Y381-F407 HydrophobicContact CD1-CD2 3.5Å; Y381-F407 VanDerWaalsContact CD1-CD2 3.5Å; Y381-F407 HydrophobicContact CD1-CE2 4.19Å; Y381-F407 AromaticContact CD1-CG 3.88Å; Y381-F407 HydrophobicContact CD1-CG 3.88Å; Y381-F407 HydrophobicContact CE1-CB 3.71Å; Y381-F407 HydrophobicContact CE1-CD1 4Å; Y381-F407 AromaticContact CE1-CD2 3.34Å; Y381-F407 HydrophobicContact CE1-CD2 3.34Å; Y381-F407 HydrophobicContact CE1-CE1 4.43Å; Y381-F407 AromaticContact CE1-CE2 3.87Å; Y381-F407 HydrophobicContact CE1-CE2 3.87Å; Y381-F407 AromaticContact CE1-CG 3.39Å; Y381-F407 HydrophobicContact CE1-CG 3.39Å; Y381-F407 HydrophobicContact CE1-CZ 4.36Å; Y381-F407 HydrophobicContact CE2-CE2 4.42Å; Y381-F407 HydrophobicContact CG-CD2 4.24Å; Y381-F407 AromaticContact CZ-CD2 3.94Å; Y381-F407 AromaticContact CZ-CE2 3.99Å; Y381-L410 HydrophobicContact CE1-CD1 4.18Å; Y381-N444 PolarHBondContact OH-ND2 3.43Å
382	D	88	Confident	94.1	Very high	11 Å²	11	40.2 Å²	40.2	6%	0.059	19%	0.186	C	C	.	.			trans	-108.1	59.6	176	-55.7	-63.6	0	0	0	110.3	S380 E384 E385 K388 Y408	S380-D382 WeakPolarHBondContact CB-OD2 3.46Å; S380-D382 PolarHBondContact OG-OD2 3.28Å; D382-E384 VanDerWaalsContact C-N 3.3Å; D382-E384 PolarHBondContact O-N 3.08Å; D382-E385 HydrophobicContact CB-CB 4.48Å; D382-E385 CarbonylContact O-C 3.56Å; D382-E385 PolarHBondContact O-N 3.33Å; D382-K388 HydrophobicContact CB-CB 4.28Å; D382-Y408 PolarHBondContact O-OH 2.8Å
383	Y	78.3	Confident	94.2	Very high	67 Å²	67	36.2 Å²	36.2	26%	0.263	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-41.1	-168.8	-75	-68.3	0	0	0	114.2	Y381 F407 Y408 R447	Y381-Y383 HydrophobicContact CD1-CE1 4.39Å; Y381-Y383 AromaticContact CD1-CE2 3.6Å; Y381-Y383 HydrophobicContact CD1-CE2 3.6Å; Y381-Y383 AromaticContact CD1-CZ 3.44Å; Y381-Y383 VanDerWaalsContact CD1-CZ 3.44Å; Y381-Y383 WeakPolarHBondContact CD1-OH 3.29Å; Y381-Y383 VanDerWaalsContact CE1-OH 3.25Å; Y381-Y383 WeakPolarHBondContact CE1-OH 3.45Å; Y381-Y383 HydrophobicContact CG-CE2 4.05Å; Y383-F407 HydrophobicContact CE1-CB 4.47Å; Y383-Y408 HydrophobicContact CD1-CD1 4.32Å; Y383-Y408 HydrophobicContact CD1-CE1 4.28Å; Y383-Y408 WeakPolarHBondContact O-CE1 3.37Å; Y383-R447 VanDerWaalsContact CZ-NH2 3.3Å; Y383-R447 PolarHBondContact OH-NH2 3.31Å
384	E	82.1	Confident	94.1	Very high	193 Å²	193	35.8 Å²	35.8	90%	0.902	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-8.8	-177.9	-58.6	-169.4	171.4	0	0	113.2	D382	D382-E384 VanDerWaalsContact C-N 3.3Å; D382-E384 PolarHBondContact O-N 3.08Å
385	E	90	Very high	93.9	Very high	92 Å²	92	38.5 Å²	38.5	43%	0.43	19%	0.19	S	C	.	.			trans	-130.2	63.3	-170	-64.3	-178.6	100	0	0	110.8	D382 D387 K388 T389	D382-E385 HydrophobicContact CB-CB 4.48Å; D382-E385 CarbonylContact O-C 3.56Å; D382-E385 PolarHBondContact O-N 3.33Å; E385-D387 PolarHBondContact O-N 3.46Å; E385-K388 HydrophobicContact CB-CB 4.3Å; E385-K388 HydrophobicContact CB-CD 3.9Å; E385-K388 HydrophobicContact CB-CG 4.03Å; E385-K388 HydrophobicContact CG-CD 4.45Å; E385-K388 WeakPolarHBondContact O-CB 3.43Å; E385-K388 PolarHBondContact O-N 3.42Å; E385-K388 WeakPolarHBondContact OE1-CE 3.22Å; E385-K388 IonicContact OE1-NZ 3.27Å; E385-K388 PolarHBondContact OE1-NZ 3.26Å; E385-K388 WeakPolarHBondContact OE2-CD 3.32Å; E385-K388 WeakPolarHBondContact OE2-CE 3.21Å; E385-K388 IonicContact OE2-NZ 2.73Å; E385-K388 PolarHBondContact OE2-NZ 3.41Å; E385-T389 PolarHBondContact O-N 3.07Å
386	V	94.4	Very high	93.5	Very high	19 Å²	19	44.9 Å²	44.9	12%	0.115	23%	0.231	C	C	.	.	H	α-helix	trans	-51	-34.7	179.9	66	0	0	0	0	112.8	K388 T389 M390 Y408 L427 N431	V386-K388 VanDerWaalsContact C-N 3.31Å; V386-K388 PolarHBondContact O-N 2.89Å; V386-T389 WeakPolarHBondContact O-CB 3.44Å; V386-T389 PolarHBondContact O-N 3.09Å; V386-T389 VanDerWaalsContact O-N 3.09Å; V386-M390 HydrophobicContact CG2-CE 3.49Å; V386-M390 VanDerWaalsContact CG2-CE 3.49Å; V386-M390 HydrophobicContact CG2-CG 4.41Å; V386-M390 WeakPolarHBondContact O-CG 3.21Å; V386-M390 PolarHBondContact O-N 3.31Å; V386-Y408 VanDerWaalsContact CA-OH 3.28Å; V386-Y408 WeakPolarHBondContact CA-OH 3.4Å; V386-Y408 WeakPolarHBondContact CB-OH 3.34Å; V386-Y408 HydrophobicContact CG2-CE2 4.08Å; V386-L427 HydrophobicContact CB-CD1 4.21Å; V386-L427 HydrophobicContact CG1-CD1 4.12Å; V386-L427 HydrophobicContact CG2-CD1 4.27Å; V386-L427 HydrophobicContact CG2-CG 4.35Å; V386-N431 HydrophobicContact CG1-CB 4.31Å; V386-N431 HydrophobicContact CG2-CB 3.96Å
387	D	94.6	Very high	93.1	Very high	112 Å²	112	52.8 Å²	52.8	60%	0.599	27%	0.273	S	S	*	.	H	α-helix	trans	-59.3	-39	177.1	-68.3	-33.5	0	0	0	112.4	E385 M390 M391	E385-D387 PolarHBondContact O-N 3.46Å; D387-M390 PolarHBondContact O-N 2.75Å; D387-M391 WeakPolarHBondContact O-CG 3.42Å; D387-M391 PolarHBondContact O-N 3.01Å
388	K	94.9	Very high	92.9	Very high	57 Å²	57	55.8 Å²	55.8	25%	0.248	29%	0.291	C	S	.	.	H	α-helix	trans	-63	-43.4	174.5	-70.6	-176.5	176.2	169.5	0	110.8	D382 E385 V386 M390 M391	D382-K388 HydrophobicContact CB-CB 4.28Å; E385-K388 HydrophobicContact CB-CB 4.3Å; E385-K388 HydrophobicContact CB-CD 3.9Å; E385-K388 HydrophobicContact CB-CG 4.03Å; E385-K388 HydrophobicContact CG-CD 4.45Å; E385-K388 WeakPolarHBondContact O-CB 3.43Å; E385-K388 PolarHBondContact O-N 3.42Å; E385-K388 WeakPolarHBondContact OE1-CE 3.22Å; E385-K388 IonicContact OE1-NZ 3.27Å; E385-K388 PolarHBondContact OE1-NZ 3.26Å; E385-K388 WeakPolarHBondContact OE2-CD 3.32Å; E385-K388 WeakPolarHBondContact OE2-CE 3.21Å; E385-K388 IonicContact OE2-NZ 2.73Å; E385-K388 PolarHBondContact OE2-NZ 3.41Å; V386-K388 VanDerWaalsContact C-N 3.31Å; V386-K388 PolarHBondContact O-N 2.89Å; K388-M390 VanDerWaalsContact C-N 3.3Å; K388-M390 PolarHBondContact O-N 3.37Å; K388-M391 WeakPolarHBondContact O-CB 2.97Å; K388-M391 PolarHBondContact O-N 2.99Å
389	T	96.4	Very high	92.7	Very high	4 Å²	4	61 Å²	61	3%	0.025	31%	0.314	C	S	.	.	H	α-helix	trans	-59	-43.3	174.6	-61.2	0	0	0	0	110.8	E385 V386 M391 Y392 P404 W428	E385-T389 PolarHBondContact O-N 3.07Å; V386-T389 WeakPolarHBondContact O-CB 3.44Å; V386-T389 PolarHBondContact O-N 3.09Å; V386-T389 VanDerWaalsContact O-N 3.09Å; T389-M391 PolarHBondContact O-N 2.98Å; T389-Y392 VanDerWaalsContact O-CD2 3.29Å; T389-Y392 WeakPolarHBondContact O-CD2 3.41Å; T389-Y392 PolarHBondContact O-N 2.82Å; T389-P404 HydrophobicContact CG2-CB 3.95Å; T389-P404 HydrophobicContact CG2-CG 3.94Å; T389-P404 WeakPolarHBondContact O-CG 3.3Å; T389-W428 HydrophobicContact CG2-CH2 3.95Å; T389-W428 HydrophobicContact CG2-CZ3 3.76Å
390	M	97.1	Very high	92.7	Very high	12 Å²	12	60.5 Å²	60.5	6%	0.059	31%	0.311	C	S	.	.	H	α-helix	trans	-66	-23.5	-178.2	-63.2	-52.9	152	0	0	113.8	V386 D387 K388 Y392 Y393 W428 N431 M432	V386-M390 HydrophobicContact CG2-CE 3.49Å; V386-M390 VanDerWaalsContact CG2-CE 3.49Å; V386-M390 HydrophobicContact CG2-CG 4.41Å; V386-M390 WeakPolarHBondContact O-CG 3.21Å; V386-M390 PolarHBondContact O-N 3.31Å; D387-M390 PolarHBondContact O-N 2.75Å; K388-M390 VanDerWaalsContact C-N 3.3Å; K388-M390 PolarHBondContact O-N 3.37Å; M390-Y392 PolarHBondContact O-N 2.87Å; M390-Y393 WeakPolarHBondContact O-CB 3.49Å; M390-Y393 PolarHBondContact O-N 2.88Å; M390-Y393 HydrophobicContact SD-CD2 4.08Å; M390-Y393 HydrophobicContact SD-CE2 3.88Å; M390-W428 HydrophobicContact CE-CD2 3.75Å; M390-W428 HydrophobicContact CE-CE3 3.55Å; M390-W428 HydrophobicContact CE-CG 4.34Å; M390-W428 HydrophobicContact CE-CH2 4.34Å; M390-W428 HydrophobicContact CE-CZ2 4.47Å; M390-W428 HydrophobicContact CE-CZ3 3.87Å; M390-N431 HydrophobicContact CE-CB 4.2Å; M390-N431 HydrophobicContact CG-CB 4.02Å; M390-N431 WeakPolarHBondContact CG-O 3.44Å; M390-M432 VanDerWaalsContact SD-CA 3.52Å; M390-M432 HydrophobicContact SD-CB 4.08Å
391	M	97	Very high	92.9	Very high	99 Å²	99	60.5 Å²	60.5	49%	0.488	31%	0.311	S	S	.	.	H	α-helix	trans	-61.4	-30.1	177.3	-67.8	176.6	65.9	0	0	112.9	D387 K388 T389 Y393 G394	D387-M391 WeakPolarHBondContact O-CG 3.42Å; D387-M391 PolarHBondContact O-N 3.01Å; K388-M391 WeakPolarHBondContact O-CB 2.97Å; K388-M391 PolarHBondContact O-N 2.99Å; T389-M391 PolarHBondContact O-N 2.98Å; M391-Y393 PolarHBondContact O-N 2.98Å; M391-G394 PolarHBondContact O-N 3.3Å
392	Y	97.9	Very high	93.2	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-16.1	179.4	-64.6	-65.4	0	0	0	114.2	V311 L352 H353 L356 T378 T389 M390 G394 S401 P404	V311-Y392 HydrophobicContact CG2-CD1 4.36Å; V311-Y392 HydrophobicContact CG2-CE1 3.57Å; L352-Y392 HydrophobicContact CD2-CE1 4.36Å; H353-Y392 AromaticContact CE1-CD1 3.63Å; H353-Y392 AromaticContact CE1-CE1 3.62Å; H353-Y392 AromaticContact ND1-CD1 3.88Å; L356-Y392 HydrophobicContact CD1-CD1 3.66Å; L356-Y392 HydrophobicContact CD1-CE1 3.59Å; T378-Y392 HydrophobicContact CG2-CD1 4.46Å; T389-Y392 VanDerWaalsContact O-CD2 3.29Å; T389-Y392 WeakPolarHBondContact O-CD2 3.41Å; T389-Y392 PolarHBondContact O-N 2.82Å; M390-Y392 PolarHBondContact O-N 2.87Å; Y392-G394 PolarHBondContact O-N 2.87Å; Y392-S401 WeakPolarHBondContact O-CB 3.33Å; Y392-S401 PolarHBondContact O-N 2.7Å; Y392-P404 HydrophobicContact CD2-CB 4.15Å; Y392-P404 HydrophobicContact CG-CB 4.38Å
393	Y	97.5	Very high	93.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-12.8	169.5	-83.5	-69.8	0	0	0	113.2	M390 M391 F403 P404 W428 M432 P433 K436 W437	M390-Y393 WeakPolarHBondContact O-CB 3.49Å; M390-Y393 PolarHBondContact O-N 2.88Å; M390-Y393 HydrophobicContact SD-CD2 4.08Å; M390-Y393 HydrophobicContact SD-CE2 3.88Å; M391-Y393 PolarHBondContact O-N 2.98Å; Y393-F403 HydrophobicContact CD1-CB 4.33Å; Y393-F403 HydrophobicContact CE1-CB 3.49Å; Y393-F403 VanDerWaalsContact CE1-CB 3.49Å; Y393-P404 HydrophobicContact CD2-CG 3.98Å; Y393-P404 HydrophobicContact CE2-CG 3.86Å; Y393-W428 AromaticContact CE2-CZ2 3.79Å; Y393-W428 HydrophobicContact CE2-CZ2 3.79Å; Y393-W428 AromaticContact CZ-CZ2 3.89Å; Y393-W428 VanDerWaalsContact OH-CZ2 3.25Å; Y393-W428 WeakPolarHBondContact OH-CZ2 3.49Å; Y393-W428 PolarHBondContact OH-NE1 3.1Å; Y393-M432 HydrophobicContact CD2-CG 4.37Å; Y393-M432 HydrophobicContact CE2-CG 3.72Å; Y393-M432 HydrophobicContact CE2-SD 4.31Å; Y393-M432 PolarHBondContact OH-SD 2.59Å; Y393-M432 VanDerWaalsContact OH-SD 3.35Å; Y393-P433 HydrophobicContact CD2-CG 4.47Å; Y393-K436 HydrophobicContact CD1-CB 3.78Å; Y393-K436 HydrophobicContact CD1-CD 3.88Å; Y393-K436 HydrophobicContact CD1-CG 3.91Å; Y393-K436 HydrophobicContact CE1-CB 3.78Å; Y393-K436 HydrophobicContact CE1-CG 4.42Å; Y393-K436 HydrophobicContact CG-CB 4.3Å; Y393-K436 HydrophobicContact CG-CD 4.36Å; Y393-K436 HydrophobicContact CG-CG 4.15Å; Y393-K436 PolarHBondContact O-NZ 2.79Å; Y393-W437 WeakPolarHBondContact CE1-O 3.43Å; Y393-W437 PolarHBondContact OH-O 3.22Å
394	G	95.3	Very high	94.6	Very high	12 Å²	12	55.4 Å²	55.4	12%	0.124	29%	0.292	C	S	.	.			trans	69.8	-160.2	-171.8	0	0	0	0	0	112.4	M391 Y392	M391-G394 PolarHBondContact O-N 3.3Å; Y392-G394 PolarHBondContact O-N 2.87Å
395	T	93.1	Very high	95.4	Very high	63 Å²	63	46.5 Å²	46.5	39%	0.387	25%	0.25	S	S	.	.			trans	-112.4	172.3	179.9	69.6	0	0	0	0	110.5	L397 V398	T395-L397 PolarHBondContact O-N 2.68Å; T395-L397 PolarHBondContact OG1-N 3.33Å; T395-V398 PolarHBondContact N-O 3.45Å; T395-V398 PolarHBondContact O-N 2.82Å; T395-V398 PolarHBondContact OG1-N 3.2Å
396	P	90.1	Very high	95.7	Very high	136 Å²	136	42.1 Å²	42.1	88%	0.883	23%	0.23	S	C	*	.	S	Bend	trans	-60	-22.8	171.7	-26.6	36.5	0	0	0	114.2
397	L	91.4	Very high	95.8	Very high	166 Å²	166	41.8 Å²	41.8	87%	0.869	23%	0.227	S	C	*	.	S	Bend	trans	-99.2	-25.3	-177.4	-63	176.8	0	0	0	113.2	T395	T395-L397 PolarHBondContact O-N 2.68Å; T395-L397 PolarHBondContact OG1-N 3.33Å
398	V	93.6	Very high	95.9	Very high	63 Å²	63	37 Å²	37	38%	0.382	20%	0.2	S	C	.	.	S	Bend	trans	-128.1	116.9	-173.5	-175.3	0	0	0	0	108.8	R357 T395	R357-V398 HydrophobicContact CG-CG1 3.91Å; T395-V398 PolarHBondContact N-O 3.45Å; T395-V398 PolarHBondContact O-N 2.82Å; T395-V398 PolarHBondContact OG1-N 3.2Å
399	K	94.2	Very high	96	Very high	110 Å²	110	34.4 Å²	34.4	48%	0.478	19%	0.189	S	C	.	.			trans	-75.7	148.8	174.3	-62.8	-175.1	-165.4	162.9	0	110.4	R360 D364	R360-K399 HydrophobicContact CG-CB 4.16Å; D364-K399 IonicContact OD1-NZ 2.88Å; D364-K399 IonicContact OD2-NZ 3.89Å; D364-K399 PolarHBondContact OD2-NZ 2.87Å
400	E	96.7	Very high	96	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.009	19%	0.193	C	C	.	.			trans	-140.7	-120.5	174.6	-162.5	169.8	142.6	0	0	107.1	H353 L356 R357 R360 M376	H353-E400 IonicContact CE1-OE1 3.96Å; H353-E400 IonicContact CG-OE1 2.68Å; H353-E400 IonicContact ND1-OE1 2.72Å; H353-E400 PolarHBondContact ND1-OE1 3.09Å; H353-E400 IonicContact ND1-OE2 3.14Å; L356-E400 HydrophobicContact CB-CG 3.99Å; R357-E400 HydrophobicContact CG-CB 4.15Å; R357-E400 HydrophobicContact CG-CG 3.92Å; R357-E400 IonicContact CZ-OE2 2.64Å; R357-E400 IonicContact NE-OE2 2.87Å; R357-E400 PolarHBondContact NE-OE2 3.24Å; R357-E400 IonicContact NH2-OE2 3.35Å; R357-E400 PolarHBondContact NH2-OE2 2.82Å; R357-E400 VanDerWaalsContact NH2-OE2 3.09Å; R360-E400 WeakPolarHBondContact CD-O 3.03Å; R360-E400 WeakPolarHBondContact CG-O 3.37Å; M376-E400 VanDerWaalsContact CE-C 3.47Å; M376-E400 WeakPolarHBondContact CE-O 3.44Å
401	S	97.4	Very high	95.9	Very high	5 Å²	5	36.3 Å²	36.3	4%	0.035	20%	0.2	C	C	.	.			trans	-67.9	147.9	172.9	-158.1	0	0	0	0	111.8	M376 V377 T378 Y392 F403	M376-S401 PolarHBondContact O-OG 3.28Å; M376-S401 VanDerWaalsContact O-OG 3.11Å; V377-S401 WeakPolarHBondContact CA-OG 3.12Å; T378-S401 PolarHBondContact N-OG 2.7Å; T378-S401 PolarHBondContact OG1-OG 2.88Å; Y392-S401 WeakPolarHBondContact O-CB 3.33Å; Y392-S401 PolarHBondContact O-N 2.7Å; S401-F403 VanDerWaalsContact C-N 3.26Å; S401-F403 PolarHBondContact OG-O 3.46Å
402	D	97.9	Very high	95.8	Very high	18 Å²	18	31.8 Å²	31.8	10%	0.096	18%	0.177	C	C	.	.	S	Bend	trans	-62.5	-41	169.7	-74.8	-68.9	0	0	0	109.9	R113 W115 R360 Y373 F375 M376	R113-D402 IonicContact NH1-OD1 2.83Å; W115-D402 HydrophobicContact CH2-CB 3.84Å; W115-D402 HydrophobicContact CZ2-CB 3.73Å; W115-D402 VanDerWaalsContact CZ2-OD1 3.28Å; W115-D402 WeakPolarHBondContact CZ2-OD1 3.04Å; W115-D402 HydrophobicContact CZ3-CB 4.41Å; R360-D402 IonicContact NH1-OD2 3.73Å; R360-D402 PolarHBondContact NH1-OD2 3.4Å; Y373-D402 VanDerWaalsContact CE1-OD1 3.28Å; Y373-D402 WeakPolarHBondContact CE1-OD1 3.4Å; Y373-D402 WeakPolarHBondContact CE1-OD2 3.28Å; Y373-D402 VanDerWaalsContact CZ-OD1 3.3Å; Y373-D402 VanDerWaalsContact OH-CG 3.32Å; Y373-D402 PolarHBondContact OH-OD1 3Å; Y373-D402 PolarHBondContact OH-OD2 3.05Å; F375-D402 WeakPolarHBondContact CA-OD2 3.34Å; F375-D402 HydrophobicContact CD2-CB 3.74Å; F375-D402 WeakPolarHBondContact CD2-OD2 3.38Å; F375-D402 HydrophobicContact CE2-CB 3.52Å; M376-D402 PolarHBondContact N-OD2 3.08Å; M376-D402 WeakPolarHBondContact O-CB 3.23Å; M376-D402 PolarHBondContact O-N 2.82Å
403	F	97.6	Very high	95.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	152.4	160.2	52.3	-107.7	0	0	0	110.3	W115 F375 V377 Y393 S401 F405 N439 T472	W115-F403 HydrophobicContact CE3-CD1 4.13Å; W115-F403 AromaticContact CE3-CE1 3.71Å; W115-F403 HydrophobicContact CE3-CE1 3.71Å; W115-F403 HydrophobicContact CH2-CD1 4.35Å; W115-F403 AromaticContact CZ3-CD1 3.58Å; W115-F403 HydrophobicContact CZ3-CD1 3.58Å; W115-F403 AromaticContact CZ3-CE1 3.64Å; W115-F403 HydrophobicContact CZ3-CE1 3.64Å; F375-F403 HydrophobicContact CE1-CZ 4.47Å; F375-F403 HydrophobicContact CE2-CD1 4.15Å; F375-F403 AromaticContact CE2-CE1 3.67Å; F375-F403 HydrophobicContact CE2-CE1 3.67Å; F375-F403 AromaticContact CE2-CZ 3.97Å; F375-F403 HydrophobicContact CE2-CZ 3.97Å; F375-F403 HydrophobicContact CZ-CD1 4.29Å; F375-F403 AromaticContact CZ-CE1 3.63Å; F375-F403 HydrophobicContact CZ-CE1 3.63Å; F375-F403 AromaticContact CZ-CE2 3.87Å; F375-F403 HydrophobicContact CZ-CE2 3.87Å; F375-F403 AromaticContact CZ-CZ 3.4Å; F375-F403 HydrophobicContact CZ-CZ 3.4Å; F375-F403 VanDerWaalsContact CZ-CZ 3.4Å; V377-F403 WeakPolarHBondContact CA-O 3.34Å; V377-F403 HydrophobicContact CB-CD2 4.45Å; V377-F403 HydrophobicContact CB-CE2 4.27Å; V377-F403 HydrophobicContact CG2-CD2 3.69Å; V377-F403 HydrophobicContact CG2-CE2 3.6Å; V377-F403 VanDerWaalsContact CG2-O 3.28Å; V377-F403 WeakPolarHBondContact CG2-O 3.41Å; Y393-F403 HydrophobicContact CD1-CB 4.33Å; Y393-F403 HydrophobicContact CE1-CB 3.49Å; Y393-F403 VanDerWaalsContact CE1-CB 3.49Å; S401-F403 VanDerWaalsContact C-N 3.26Å; S401-F403 PolarHBondContact OG-O 3.46Å; F403-F405 HydrophobicContact CE2-CD1 4.39Å; F403-F405 HydrophobicContact CE2-CE1 4.43Å; F403-N439 HydrophobicContact CD1-CB 4.43Å; F403-N439 HydrophobicContact CD2-CB 3.86Å; F403-N439 VanDerWaalsContact CD2-CG 3.47Å; F403-N439 WeakPolarHBondContact CD2-ND2 3.44Å; F403-N439 HydrophobicContact CE1-CB 4.21Å; F403-N439 HydrophobicContact CE2-CB 3.62Å; F403-N439 HydrophobicContact CG-CB 4.25Å; F403-N439 HydrophobicContact CZ-CB 3.79Å; F403-T472 HydrophobicContact CZ-CG2 4.42Å
404	P	97.9	Very high	95.5	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	146.1	159.7	26.3	-26.6	0	0	0	110.5	T378 T389 Y392 Y393 N406 W428 N439	T378-P404 WeakPolarHBondContact OG1-CA 3.13Å; T389-P404 HydrophobicContact CG2-CB 3.95Å; T389-P404 HydrophobicContact CG2-CG 3.94Å; T389-P404 WeakPolarHBondContact O-CG 3.3Å; Y392-P404 HydrophobicContact CD2-CB 4.15Å; Y392-P404 HydrophobicContact CG-CB 4.38Å; Y393-P404 HydrophobicContact CD2-CG 3.98Å; Y393-P404 HydrophobicContact CE2-CG 3.86Å; P404-N406 PolarHBondContact O-N 2.87Å; P404-W428 HydrophobicContact CB-CH2 4.43Å; P404-W428 HydrophobicContact CG-CH2 3.85Å; P404-W428 HydrophobicContact CG-CZ2 4.24Å; P404-W428 WeakPolarHBondContact O-CH2 3.44Å; P404-N439 PolarHBondContact O-ND2 2.88Å
405	F	97.7	Very high	95.4	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.026	24%	0.235	C	C	.	.			trans	-61.7	137.3	172.9	-89.1	-60.8	0	0	0	111.5	W158 R307 V377 T378 E379 F403 F407 V441 T474	W158-F405 AromaticContact CE3-CZ 3.95Å; W158-F405 HydrophobicContact CE3-CZ 3.95Å; W158-F405 HydrophobicContact CZ3-CE2 4.21Å; W158-F405 AromaticContact CZ3-CZ 3.86Å; W158-F405 HydrophobicContact CZ3-CZ 3.86Å; R307-F405 HydrophobicContact CB-CE2 4.26Å; R307-F405 HydrophobicContact CG-CD2 4.37Å; R307-F405 HydrophobicContact CG-CE2 3.78Å; V377-F405 HydrophobicContact CB-CD2 4.41Å; V377-F405 HydrophobicContact CB-CE2 4.11Å; V377-F405 HydrophobicContact CB-CZ 4.46Å; V377-F405 HydrophobicContact CG1-CD2 4.16Å; V377-F405 HydrophobicContact CG1-CE2 3.45Å; V377-F405 VanDerWaalsContact CG1-CE2 3.45Å; V377-F405 HydrophobicContact CG1-CZ 3.82Å; V377-F405 HydrophobicContact CG2-CB 4.38Å; V377-F405 HydrophobicContact CG2-CD1 4Å; V377-F405 HydrophobicContact CG2-CD2 3.31Å; V377-F405 HydrophobicContact CG2-CE1 4.08Å; V377-F405 HydrophobicContact CG2-CE2 3.41Å; V377-F405 VanDerWaalsContact CG2-CE2 3.41Å; V377-F405 HydrophobicContact CG2-CG 3.62Å; V377-F405 HydrophobicContact CG2-CZ 3.81Å; T378-F405 PolarHBondContact O-N 3.27Å; E379-F405 HydrophobicContact CB-CD2 4.48Å; F403-F405 HydrophobicContact CE2-CD1 4.39Å; F403-F405 HydrophobicContact CE2-CE1 4.43Å; F405-F407 HydrophobicContact CB-CD1 4.35Å; F405-F407 HydrophobicContact CB-CD2 4.29Å; F405-F407 HydrophobicContact CB-CE1 3.65Å; F405-F407 HydrophobicContact CB-CE2 3.54Å; F405-F407 HydrophobicContact CB-CZ 3.2Å; F405-F407 HydrophobicContact CD2-CZ 4.08Å; F405-F407 HydrophobicContact CG-CE1 4.09Å; F405-F407 AromaticContact CG-CZ 3.8Å; F405-F407 HydrophobicContact CG-CZ 3.8Å; F405-V441 HydrophobicContact CD1-CG2 3.7Å; F405-V441 HydrophobicContact CE1-CG2 4.3Å; F405-T474 HydrophobicContact CE1-CG2 4.11Å
406	N	97.7	Very high	95.2	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.223	C	C	.	.			trans	-97.4	103.6	177.4	179.5	2.8	0	0	0	110.8	P404 Y408 W428 N439 W440 V441	P404-N406 PolarHBondContact O-N 2.87Å; N406-Y408 WeakPolarHBondContact OD1-CD2 3.3Å; N406-Y408 PolarHBondContact OD1-N 2.8Å; N406-W428 HydrophobicContact CB-CD2 3.91Å; N406-W428 HydrophobicContact CB-CE3 3.63Å; N406-W428 HydrophobicContact CB-CH2 3.61Å; N406-W428 HydrophobicContact CB-CZ2 3.94Å; N406-W428 HydrophobicContact CB-CZ3 3.48Å; N406-W428 VanDerWaalsContact CB-CZ3 3.48Å; N406-N439 WeakPolarHBondContact CB-O 3.28Å; N406-N439 PolarHBondContact N-OD1 2.97Å; N406-N439 PolarHBondContact ND2-O 2.84Å; N406-W440 WeakPolarHBondContact ND2-CZ3 3.13Å; N406-V441 WeakPolarHBondContact O-CB 3.46Å; N406-V441 WeakPolarHBondContact O-CG2 3.32Å; N406-V441 PolarHBondContact O-N 3.39Å
407	F	96.3	Very high	95.5	Very high	11 Å²	11	35 Å²	35	5%	0.048	19%	0.185	C	C	.	.			trans	-99	2.2	-178	-60.2	-54	0	0	0	114.7	E379 Y381 Y383 F405 L409 L410 V441	E379-F407 HydrophobicContact CB-CZ 4.46Å; E379-F407 HydrophobicContact CG-CE2 3.59Å; E379-F407 HydrophobicContact CG-CZ 3.58Å; Y381-F407 HydrophobicContact CD1-CB 3.95Å; Y381-F407 AromaticContact CD1-CD2 3.5Å; Y381-F407 HydrophobicContact CD1-CD2 3.5Å; Y381-F407 VanDerWaalsContact CD1-CD2 3.5Å; Y381-F407 HydrophobicContact CD1-CE2 4.19Å; Y381-F407 AromaticContact CD1-CG 3.88Å; Y381-F407 HydrophobicContact CD1-CG 3.88Å; Y381-F407 HydrophobicContact CE1-CB 3.71Å; Y381-F407 HydrophobicContact CE1-CD1 4Å; Y381-F407 AromaticContact CE1-CD2 3.34Å; Y381-F407 HydrophobicContact CE1-CD2 3.34Å; Y381-F407 HydrophobicContact CE1-CE1 4.43Å; Y381-F407 AromaticContact CE1-CE2 3.87Å; Y381-F407 HydrophobicContact CE1-CE2 3.87Å; Y381-F407 AromaticContact CE1-CG 3.39Å; Y381-F407 HydrophobicContact CE1-CG 3.39Å; Y381-F407 HydrophobicContact CE1-CZ 4.36Å; Y381-F407 HydrophobicContact CE2-CE2 4.42Å; Y381-F407 HydrophobicContact CG-CD2 4.24Å; Y381-F407 AromaticContact CZ-CD2 3.94Å; Y381-F407 AromaticContact CZ-CE2 3.99Å; Y383-F407 HydrophobicContact CE1-CB 4.47Å; F405-F407 HydrophobicContact CB-CD1 4.35Å; F405-F407 HydrophobicContact CB-CD2 4.29Å; F405-F407 HydrophobicContact CB-CE1 3.65Å; F405-F407 HydrophobicContact CB-CE2 3.54Å; F405-F407 HydrophobicContact CB-CZ 3.2Å; F405-F407 HydrophobicContact CD2-CZ 4.08Å; F405-F407 HydrophobicContact CG-CE1 4.09Å; F405-F407 AromaticContact CG-CZ 3.8Å; F405-F407 HydrophobicContact CG-CZ 3.8Å; F407-L409 VanDerWaalsContact C-N 3.26Å; F407-L409 PolarHBondContact O-N 3.17Å; F407-L410 HydrophobicContact CB-CD1 3.64Å; F407-L410 HydrophobicContact CB-CG 4.28Å; F407-L410 HydrophobicContact CD1-CD1 3.78Å; F407-L410 HydrophobicContact CG-CD1 4.03Å; F407-L410 WeakPolarHBondContact O-CB 3.27Å; F407-L410 VanDerWaalsContact O-CG 3.23Å; F407-L410 WeakPolarHBondContact O-CG 3.31Å; F407-L410 PolarHBondContact O-N 2.92Å; F407-V441 HydrophobicContact CD1-CB 4.16Å; F407-V441 HydrophobicContact CD1-CG1 4.2Å; F407-V441 HydrophobicContact CD1-CG2 4.19Å; F407-V441 HydrophobicContact CE1-CG1 4.35Å; F407-V441 HydrophobicContact CE1-CG2 4.21Å
408	Y	96.4	Very high	95.8	Very high	12 Å²	12	27.1 Å²	27.1	5%	0.047	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-65.8	-28.9	-177.3	-67.3	-69	0	0	0	112.9	D382 Y383 V386 N406 L410 D411 L424 L427 W428	D382-Y408 PolarHBondContact O-OH 2.8Å; Y383-Y408 HydrophobicContact CD1-CD1 4.32Å; Y383-Y408 HydrophobicContact CD1-CE1 4.28Å; Y383-Y408 WeakPolarHBondContact O-CE1 3.37Å; V386-Y408 VanDerWaalsContact CA-OH 3.28Å; V386-Y408 WeakPolarHBondContact CA-OH 3.4Å; V386-Y408 WeakPolarHBondContact CB-OH 3.34Å; V386-Y408 HydrophobicContact CG2-CE2 4.08Å; N406-Y408 WeakPolarHBondContact OD1-CD2 3.3Å; N406-Y408 PolarHBondContact OD1-N 2.8Å; Y408-L410 PolarHBondContact O-N 3.45Å; Y408-D411 PolarHBondContact O-N 2.82Å; Y408-L424 WeakPolarHBondContact O-CD1 3.44Å; Y408-L424 WeakPolarHBondContact O-CD2 3.27Å; Y408-L427 HydrophobicContact CD1-CD2 3.48Å; Y408-L427 VanDerWaalsContact CD1-CD2 3.48Å; Y408-L427 HydrophobicContact CD2-CD2 4.21Å; Y408-L427 HydrophobicContact CE1-CD2 3.61Å; Y408-L427 HydrophobicContact CE2-CD2 4.32Å; Y408-L427 HydrophobicContact CG-CD2 3.8Å; Y408-W428 AromaticContact CD2-CE3 3.92Å; Y408-W428 HydrophobicContact CD2-CE3 3.92Å; Y408-W428 HydrophobicContact CD2-CZ3 4.33Å; Y408-W428 HydrophobicContact CE2-CE3 4.04Å; Y408-W428 HydrophobicContact CE2-CZ3 4.22Å
409	L	96.7	Very high	96	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-71.6	-10	175.2	-73.2	-173.4	0	0	0	114	F407 D411 L412 L424 V425 W440 V441 V442 M465 L469	F407-L409 VanDerWaalsContact C-N 3.26Å; F407-L409 PolarHBondContact O-N 3.17Å; L409-D411 PolarHBondContact O-N 3.36Å; L409-L412 VanDerWaalsContact O-CB 3.24Å; L409-L412 WeakPolarHBondContact O-CB 3.42Å; L409-L412 PolarHBondContact O-N 3.3Å; L409-L424 HydrophobicContact CD2-CB 3.79Å; L409-L424 HydrophobicContact CD2-CD1 4.13Å; L409-V425 HydrophobicContact CD2-CG2 4.3Å; L409-W440 HydrophobicContact CD1-CB 4.06Å; L409-W440 HydrophobicContact CD1-CD2 4.08Å; L409-W440 HydrophobicContact CD1-CE3 3.4Å; L409-W440 VanDerWaalsContact CD1-CE3 3.4Å; L409-W440 HydrophobicContact CD1-CG 4.35Å; L409-W440 HydrophobicContact CD1-CZ3 4.22Å; L409-W440 HydrophobicContact CG-CE3 3.85Å; L409-W440 HydrophobicContact CG-CZ3 4.34Å; L409-V441 VanDerWaalsContact CB-O 3.29Å; L409-V441 WeakPolarHBondContact CB-O 3.48Å; L409-V442 HydrophobicContact CB-CG1 4.19Å; L409-V442 HydrophobicContact CD1-CG1 4.23Å; L409-M465 HydrophobicContact CD1-CE 4.1Å; L409-M465 HydrophobicContact CD2-CE 3.92Å; L409-L469 HydrophobicContact CD1-CD1 4.25Å
410	L	95.9	Very high	96.2	Very high	19 Å²	19	29 Å²	29	10%	0.099	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-63.7	-22.5	169.2	-58.8	175	0	0	0	111.7	Y381 F407 Y408 P413 V441 V442 R447	Y381-L410 HydrophobicContact CE1-CD1 4.18Å; F407-L410 HydrophobicContact CB-CD1 3.64Å; F407-L410 HydrophobicContact CB-CG 4.28Å; F407-L410 HydrophobicContact CD1-CD1 3.78Å; F407-L410 HydrophobicContact CG-CD1 4.03Å; F407-L410 WeakPolarHBondContact O-CB 3.27Å; F407-L410 VanDerWaalsContact O-CG 3.23Å; F407-L410 WeakPolarHBondContact O-CG 3.31Å; F407-L410 PolarHBondContact O-N 2.92Å; Y408-L410 PolarHBondContact O-N 3.45Å; L410-P413 WeakPolarHBondContact O-CD 3.28Å; L410-V441 HydrophobicContact CD2-CG1 4.23Å; L410-V442 VanDerWaalsContact CD2-C 3.46Å; L410-R447 HydrophobicContact CB-CG 4.32Å; L410-R447 HydrophobicContact CD1-CG 3.63Å; L410-R447 HydrophobicContact CD2-CB 4.38Å; L410-R447 HydrophobicContact CD2-CG 4.16Å; L410-R447 HydrophobicContact CG-CG 4.24Å
411	D	95.8	Very high	96.3	Very high	38 Å²	38	28.9 Å²	28.9	20%	0.203	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-88.9	-1.5	178.8	-67.3	-21.5	0	0	0	113.4	Y408 L409 P413 L414 W420	Y408-D411 PolarHBondContact O-N 2.82Å; L409-D411 PolarHBondContact O-N 3.36Å; D411-P413 VanDerWaalsContact C-N 3.26Å; D411-L414 HydrophobicContact CB-CD1 3.79Å; D411-L414 HydrophobicContact CB-CG 4.22Å; D411-L414 VanDerWaalsContact O-CB 3.26Å; D411-L414 WeakPolarHBondContact O-CB 3.41Å; D411-L414 WeakPolarHBondContact O-CG 3.15Å; D411-L414 PolarHBondContact O-N 2.85Å; D411-W420 HydrophobicContact CB-CZ2 4.08Å; D411-W420 PolarHBondContact O-NE1 3.28Å
412	L	95.2	Very high	96.3	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.016	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-51.3	-39.3	175.2	-171.2	70.7	0	0	0	113.4	L409 L414 N415 A421 L424 I462 M465 F604	L409-L412 VanDerWaalsContact O-CB 3.24Å; L409-L412 WeakPolarHBondContact O-CB 3.42Å; L409-L412 PolarHBondContact O-N 3.3Å; L412-L414 PolarHBondContact O-N 3.31Å; L412-N415 CarbonylContact O-C 3.52Å; L412-N415 PolarHBondContact O-N 2.83Å; L412-A421 HydrophobicContact CD1-CB 3.96Å; L412-L424 HydrophobicContact CB-CD1 4.14Å; L412-L424 HydrophobicContact CD1-CD1 4.19Å; L412-I462 HydrophobicContact CD2-CD1 3.98Å; L412-I462 HydrophobicContact CD2-CG1 3.72Å; L412-I462 HydrophobicContact CD2-CG2 4.44Å; L412-M465 HydrophobicContact CD1-CE 4.38Å; L412-M465 HydrophobicContact CD2-CE 3.65Å; L412-F604 HydrophobicContact CD2-CE1 4.02Å; L412-F604 HydrophobicContact CD2-CZ 4.39Å
413	P	94.4	Very high	96.3	Very high	33 Å²	33	34.6 Å²	34.6	21%	0.214	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-63	-21.1	175.9	-22.9	35.5	0	0	0	115.3	L410 D411 N415 S453 A454	L410-P413 WeakPolarHBondContact O-CD 3.28Å; D411-P413 VanDerWaalsContact C-N 3.26Å; P413-N415 PolarHBondContact O-N 3.24Å; P413-S453 WeakPolarHBondContact CG-OG 3.47Å; P413-A454 HydrophobicContact CB-CB 4.23Å; P413-A454 HydrophobicContact CG-CB 4.17Å
414	L	94.1	Very high	96.3	Very high	130 Å²	130	34.8 Å²	34.8	68%	0.681	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-63.7	-29.8	179.3	-58.9	-177.2	0	0	0	111.8	D411 L412	D411-L414 HydrophobicContact CB-CD1 3.79Å; D411-L414 HydrophobicContact CB-CG 4.22Å; D411-L414 VanDerWaalsContact O-CB 3.26Å; D411-L414 WeakPolarHBondContact O-CB 3.41Å; D411-L414 WeakPolarHBondContact O-CG 3.15Å; D411-L414 PolarHBondContact O-N 2.85Å; L412-L414 PolarHBondContact O-N 3.31Å
415	N	93.7	Very high	96.3	Very high	82 Å²	82	34.7 Å²	34.7	44%	0.439	17%	0.165	S	C	.	.			trans	-154.2	98.5	176.6	-176.8	-2.9	0	0	0	112	L412 P413 S417 W420	L412-N415 CarbonylContact O-C 3.52Å; L412-N415 PolarHBondContact O-N 2.83Å; P413-N415 PolarHBondContact O-N 3.24Å; N415-S417 PolarHBondContact O-N 3.36Å; N415-S417 PolarHBondContact OD1-OG 2.9Å; N415-W420 HydrophobicContact CB-CB 4.11Å; N415-W420 HydrophobicContact CB-CD2 4.28Å; N415-W420 HydrophobicContact CB-CG 3.8Å; N415-W420 VanDerWaalsContact O-CB 3.27Å; N415-W420 WeakPolarHBondContact O-CB 3.33Å; N415-W420 VanDerWaalsContact O-CG 3.31Å
416	T	88.4	Confident	96.3	Very high	24 Å²	24	37.6 Å²	37.6	15%	0.147	18%	0.179	C	C	.	.			trans	-73.7	86.7	174.6	62	0	0	0	0	110.5	Y458 F604	T416-Y458 HydrophobicContact CG2-CD2 4.17Å; T416-Y458 HydrophobicContact CG2-CE2 3.97Å; T416-F604 CarbonylContact C-O 3.59Å; T416-F604 VanDerWaalsContact C-O 3.27Å; T416-F604 WeakPolarHBondContact CB-O 3.41Å
417	S	96.5	Very high	96.3	Very high	11 Å²	11	39.5 Å²	39.5	8%	0.077	19%	0.189	C	C	.	.	S	Bend	trans	-145.5	157	174.8	64.7	0	0	0	0	111.8	N415 W419 W420 A421 T582	N415-S417 PolarHBondContact O-N 3.36Å; N415-S417 PolarHBondContact OD1-OG 2.9Å; S417-W419 VanDerWaalsContact C-N 3.33Å; S417-W419 PolarHBondContact O-N 3.3Å; S417-W420 PolarHBondContact O-N 3.05Å; S417-W420 VanDerWaalsContact OG-CB 3.23Å; S417-W420 WeakPolarHBondContact OG-CB 3.47Å; S417-W420 PolarHBondContact OG-N 2.83Å; S417-A421 PolarHBondContact O-N 3.06Å; S417-T582 WeakPolarHBondContact CA-O 3.3Å; S417-T582 WeakPolarHBondContact CB-O 3.46Å
418	G	97.8	Very high	96.4	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.1	-37.6	177.5	0	0	0	0	0	113.3	K422 S580 D581 N583 V584	G418-K422 PolarHBondContact O-N 3.44Å; G418-S580 PolarHBondContact O-OG 3.14Å; G418-D581 CarbonylContact C-O 3.31Å; G418-D581 VanDerWaalsContact C-O 3.27Å; G418-D581 WeakPolarHBondContact CA-O 3.08Å; G418-D581 PolarHBondContact N-O 3.35Å; G418-N583 PolarHBondContact N-O 2.81Å; G418-V584 WeakPolarHBondContact CA-O 3.47Å
419	W	98	Very high	96.5	Very high	150 Å²	150	38.6 Å²	38.6	57%	0.568	19%	0.185	S	C	*	.	H	α-helix	trans	-65.1	-43	174.7	-71.3	-31.1	0	0	0	112.7	S417 K422 H423 S580 D581 T582	S417-W419 VanDerWaalsContact C-N 3.33Å; S417-W419 PolarHBondContact O-N 3.3Å; W419-K422 PolarHBondContact O-N 2.88Å; W419-H423 WeakPolarHBondContact O-CB 3.43Å; W419-H423 PolarHBondContact O-N 2.93Å; W419-S580 WeakPolarHBondContact CA-OG 3.38Å; W419-S580 PolarHBondContact N-OG 2.89Å; W419-S580 PolarHBondContact NE1-O 3.24Å; W419-S580 VanDerWaalsContact NE1-O 3.11Å; W419-D581 PolarHBondContact N-O 3.37Å; W419-D581 VanDerWaalsContact NE1-CA 3.25Å; W419-T582 HydrophobicContact CD2-CG2 4.44Å; W419-T582 HydrophobicContact CE3-CG2 3.78Å; W419-T582 HydrophobicContact CH2-CG2 3.35Å; W419-T582 HydrophobicContact CZ2-CG2 4.05Å; W419-T582 HydrophobicContact CZ3-CG2 3.2Å
420	W	98	Very high	96.5	Very high	62 Å²	62	41.6 Å²	41.6	24%	0.235	21%	0.206	C	C	.	.	H	α-helix	trans	-65.8	-45.3	178.6	-174.2	-121	0	0	0	111.8	D411 N415 S417 K422 H423 L424	D411-W420 HydrophobicContact CB-CZ2 4.08Å; D411-W420 PolarHBondContact O-NE1 3.28Å; N415-W420 HydrophobicContact CB-CB 4.11Å; N415-W420 HydrophobicContact CB-CD2 4.28Å; N415-W420 HydrophobicContact CB-CG 3.8Å; N415-W420 VanDerWaalsContact O-CB 3.27Å; N415-W420 WeakPolarHBondContact O-CB 3.33Å; N415-W420 VanDerWaalsContact O-CG 3.31Å; S417-W420 PolarHBondContact O-N 3.05Å; S417-W420 VanDerWaalsContact OG-CB 3.23Å; S417-W420 WeakPolarHBondContact OG-CB 3.47Å; S417-W420 PolarHBondContact OG-N 2.83Å; W420-K422 VanDerWaalsContact C-N 3.34Å; W420-K422 PolarHBondContact O-N 2.86Å; W420-H423 HydrophobicContact CE3-CB 4.35Å; W420-H423 AromaticContact CE3-CD2 3.76Å; W420-H423 AromaticContact CZ3-CD2 3.31Å; W420-H423 WeakPolarHBondContact CZ3-CD2 3.43Å; W420-H423 AromaticContact CZ3-NE2 3.97Å; W420-H423 WeakPolarHBondContact O-CB 3.18Å; W420-H423 PolarHBondContact O-N 3.25Å; W420-H423 VanDerWaalsContact O-N 3.14Å; W420-L424 HydrophobicContact CD2-CD1 4.39Å; W420-L424 HydrophobicContact CD2-CG 4.26Å; W420-L424 HydrophobicContact CG-CD1 4.49Å; W420-L424 HydrophobicContact CH2-CD2 3.92Å; W420-L424 HydrophobicContact CZ2-CD1 4.18Å; W420-L424 HydrophobicContact CZ2-CD2 3.67Å; W420-L424 HydrophobicContact CZ2-CG 4.11Å; W420-L424 WeakPolarHBondContact O-CG 3.2Å; W420-L424 PolarHBondContact O-N 3.07Å
421	A	98.3	Very high	96.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.2	-45.4	174.6	0	0	0	0	0	111.7	L412 S417 H423 V425 M465 F585 F604	L412-A421 HydrophobicContact CD1-CB 3.96Å; S417-A421 PolarHBondContact O-N 3.06Å; A421-H423 PolarHBondContact O-N 3.39Å; A421-V425 VanDerWaalsContact O-CG2 3.28Å; A421-V425 WeakPolarHBondContact O-CG2 3.48Å; A421-V425 PolarHBondContact O-N 3.46Å; A421-M465 HydrophobicContact CB-SD 4.39Å; A421-F585 HydrophobicContact CB-CB 4.09Å; A421-F585 HydrophobicContact CB-CD1 3.92Å; A421-F585 HydrophobicContact CB-CG 4.1Å; A421-F604 HydrophobicContact CB-CD2 3.67Å; A421-F604 HydrophobicContact CB-CE2 3.56Å; A421-F604 HydrophobicContact CB-CZ 4.32Å
422	K	98.3	Very high	96.6	Very high	52 Å²	52	42.3 Å²	42.3	23%	0.226	21%	0.21	C	C	.	.	H	α-helix	trans	-59.6	-46.9	174.3	177.8	174.9	178.4	-76.4	0	111.4	G418 W419 W420 L424 V425 E426 Y577 S580 F585	G418-K422 PolarHBondContact O-N 3.44Å; W419-K422 PolarHBondContact O-N 2.88Å; W420-K422 VanDerWaalsContact C-N 3.34Å; W420-K422 PolarHBondContact O-N 2.86Å; K422-L424 PolarHBondContact O-N 3.47Å; K422-V425 PolarHBondContact O-N 3.26Å; K422-E426 IonicContact NZ-OE1 2.89Å; K422-E426 PolarHBondContact NZ-OE1 2.98Å; K422-E426 IonicContact NZ-OE2 2.59Å; K422-E426 PolarHBondContact NZ-OE2 3.09Å; K422-E426 WeakPolarHBondContact O-CB 3.45Å; K422-E426 PolarHBondContact O-N 2.74Å; K422-Y577 HydrophobicContact CD-CD1 4.46Å; K422-Y577 HydrophobicContact CG-CD1 4.19Å; K422-Y577 HydrophobicContact CG-CE1 4.08Å; K422-S580 WeakPolarHBondContact CB-OG 3.47Å; K422-S580 VanDerWaalsContact CD-CB 3.45Å; K422-F585 HydrophobicContact CB-CD2 3.74Å; K422-F585 HydrophobicContact CB-CE2 3.66Å; K422-F585 HydrophobicContact CG-CE2 4.06Å
423	H	98	Very high	96.6	Very high	91 Å²	91	44.4 Å²	44.4	42%	0.421	22%	0.224	S	C	.	.	H	α-helix	trans	-57.9	-48.6	-177.1	175.4	70.3	0	0	0	111.8	W419 W420 A421 V425 E426 L427	W419-H423 WeakPolarHBondContact O-CB 3.43Å; W419-H423 PolarHBondContact O-N 2.93Å; W420-H423 HydrophobicContact CE3-CB 4.35Å; W420-H423 AromaticContact CE3-CD2 3.76Å; W420-H423 AromaticContact CZ3-CD2 3.31Å; W420-H423 WeakPolarHBondContact CZ3-CD2 3.43Å; W420-H423 AromaticContact CZ3-NE2 3.97Å; W420-H423 WeakPolarHBondContact O-CB 3.18Å; W420-H423 PolarHBondContact O-N 3.25Å; W420-H423 VanDerWaalsContact O-N 3.14Å; A421-H423 PolarHBondContact O-N 3.39Å; H423-V425 PolarHBondContact O-N 3.28Å; H423-E426 PolarHBondContact O-N 3.38Å; H423-L427 WeakPolarHBondContact O-CB 3.43Å; H423-L427 PolarHBondContact O-N 3Å
424	L	97.6	Very high	96.6	Very high	3 Å²	3	49 Å²	49	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-63.9	-39.5	179.1	-64.4	176.4	0	0	0	112.6	Y408 L409 L412 W420 K422	Y408-L424 WeakPolarHBondContact O-CD1 3.44Å; Y408-L424 WeakPolarHBondContact O-CD2 3.27Å; L409-L424 HydrophobicContact CD2-CB 3.79Å; L409-L424 HydrophobicContact CD2-CD1 4.13Å; L412-L424 HydrophobicContact CB-CD1 4.14Å; L412-L424 HydrophobicContact CD1-CD1 4.19Å; W420-L424 HydrophobicContact CD2-CD1 4.39Å; W420-L424 HydrophobicContact CD2-CG 4.26Å; W420-L424 HydrophobicContact CG-CD1 4.49Å; W420-L424 HydrophobicContact CH2-CD2 3.92Å; W420-L424 HydrophobicContact CZ2-CD1 4.18Å; W420-L424 HydrophobicContact CZ2-CD2 3.67Å; W420-L424 HydrophobicContact CZ2-CG 4.11Å; W420-L424 WeakPolarHBondContact O-CG 3.2Å; W420-L424 PolarHBondContact O-N 3.07Å; K422-L424 PolarHBondContact O-N 3.47Å
425	V	98.5	Very high	96.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-68.8	-42.2	176.3	179.2	0	0	0	0	110.7	L409 A421 K422 H423 W428 M429 W440 L469 F575 Y577 F585	L409-V425 HydrophobicContact CD2-CG2 4.3Å; A421-V425 VanDerWaalsContact O-CG2 3.28Å; A421-V425 WeakPolarHBondContact O-CG2 3.48Å; A421-V425 PolarHBondContact O-N 3.46Å; K422-V425 PolarHBondContact O-N 3.26Å; H423-V425 PolarHBondContact O-N 3.28Å; V425-W428 PolarHBondContact O-N 2.82Å; V425-M429 HydrophobicContact CG1-CG 4.18Å; V425-M429 VanDerWaalsContact O-CG 3.29Å; V425-M429 WeakPolarHBondContact O-CG 3.49Å; V425-M429 PolarHBondContact O-N 2.79Å; V425-W440 HydrophobicContact CB-CH2 3.99Å; V425-W440 HydrophobicContact CB-CZ3 4.21Å; V425-W440 HydrophobicContact CG1-CH2 3.48Å; V425-W440 VanDerWaalsContact CG1-CH2 3.48Å; V425-W440 HydrophobicContact CG1-CZ2 4.02Å; V425-W440 HydrophobicContact CG1-CZ3 4.16Å; V425-W440 HydrophobicContact CG2-CH2 4.19Å; V425-W440 HydrophobicContact CG2-CZ3 4.06Å; V425-L469 HydrophobicContact CG1-CD2 3.87Å; V425-L469 HydrophobicContact CG2-CD1 3.97Å; V425-L469 HydrophobicContact CG2-CD2 4.27Å; V425-F575 HydrophobicContact CG1-CE1 4.15Å; V425-F575 HydrophobicContact CG1-CZ 3.77Å; V425-Y577 VanDerWaalsContact C-OH 3.27Å; V425-Y577 HydrophobicContact CB-CE1 4.45Å; V425-Y577 HydrophobicContact CG1-CE1 4.09Å; V425-Y577 VanDerWaalsContact CG1-OH 3.29Å; V425-Y577 WeakPolarHBondContact CG1-OH 3.49Å; V425-Y577 PolarHBondContact O-OH 3.22Å; V425-F585 HydrophobicContact CB-CZ 4.32Å; V425-F585 HydrophobicContact CG1-CZ 4.45Å; V425-F585 HydrophobicContact CG2-CE1 4.1Å; V425-F585 HydrophobicContact CG2-CZ 4.24Å
426	E	97.8	Very high	96.5	Very high	66 Å²	66	43.3 Å²	43.3	31%	0.308	23%	0.233	S	C	.	.	H	α-helix	trans	-67.8	-35.1	-179.9	-173.9	169.3	-131.7	0	0	112.1	K422 H423 W428 M429 S430 Y577	K422-E426 IonicContact NZ-OE1 2.89Å; K422-E426 PolarHBondContact NZ-OE1 2.98Å; K422-E426 IonicContact NZ-OE2 2.59Å; K422-E426 PolarHBondContact NZ-OE2 3.09Å; K422-E426 WeakPolarHBondContact O-CB 3.45Å; K422-E426 PolarHBondContact O-N 2.74Å; H423-E426 PolarHBondContact O-N 3.38Å; E426-W428 VanDerWaalsContact C-N 3.26Å; E426-W428 PolarHBondContact O-N 2.88Å; E426-M429 PolarHBondContact O-N 2.86Å; E426-S430 VanDerWaalsContact O-CB 3.26Å; E426-S430 WeakPolarHBondContact O-CB 3.47Å; E426-S430 PolarHBondContact O-N 2.71Å; E426-S430 PolarHBondContact O-OG 3.33Å; E426-Y577 WeakPolarHBondContact CA-OH 3.22Å; E426-Y577 PolarHBondContact N-OH 2.79Å; E426-Y577 VanDerWaalsContact N-OH 3.08Å
427	L	97.1	Very high	96.9	Very high	40 Å²	40	42.8 Å²	42.8	21%	0.209	23%	0.228	C	C	.	.	H	α-helix	trans	-55.1	-43.1	174.2	-178.8	61.1	0	0	0	111.3	V386 Y408 H423 N431	V386-L427 HydrophobicContact CB-CD1 4.21Å; V386-L427 HydrophobicContact CG1-CD1 4.12Å; V386-L427 HydrophobicContact CG2-CD1 4.27Å; V386-L427 HydrophobicContact CG2-CG 4.35Å; Y408-L427 HydrophobicContact CD1-CD2 3.48Å; Y408-L427 VanDerWaalsContact CD1-CD2 3.48Å; Y408-L427 HydrophobicContact CD2-CD2 4.21Å; Y408-L427 HydrophobicContact CE1-CD2 3.61Å; Y408-L427 HydrophobicContact CE2-CD2 4.32Å; Y408-L427 HydrophobicContact CG-CD2 3.8Å; H423-L427 WeakPolarHBondContact O-CB 3.43Å; H423-L427 PolarHBondContact O-N 3Å; L427-N431 PolarHBondContact O-ND2 3.24Å
428	W	98.1	Very high	97	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-74.1	-53.6	174.4	-167.5	-88.6	0	0	0	112.3	T389 M390 Y393 P404 N406 Y408 V425 E426 S430 N431 M432 W440	T389-W428 HydrophobicContact CG2-CH2 3.95Å; T389-W428 HydrophobicContact CG2-CZ3 3.76Å; M390-W428 HydrophobicContact CE-CD2 3.75Å; M390-W428 HydrophobicContact CE-CE3 3.55Å; M390-W428 HydrophobicContact CE-CG 4.34Å; M390-W428 HydrophobicContact CE-CH2 4.34Å; M390-W428 HydrophobicContact CE-CZ2 4.47Å; M390-W428 HydrophobicContact CE-CZ3 3.87Å; Y393-W428 AromaticContact CE2-CZ2 3.79Å; Y393-W428 HydrophobicContact CE2-CZ2 3.79Å; Y393-W428 AromaticContact CZ-CZ2 3.89Å; Y393-W428 VanDerWaalsContact OH-CZ2 3.25Å; Y393-W428 WeakPolarHBondContact OH-CZ2 3.49Å; Y393-W428 PolarHBondContact OH-NE1 3.1Å; P404-W428 HydrophobicContact CB-CH2 4.43Å; P404-W428 HydrophobicContact CG-CH2 3.85Å; P404-W428 HydrophobicContact CG-CZ2 4.24Å; P404-W428 WeakPolarHBondContact O-CH2 3.44Å; N406-W428 HydrophobicContact CB-CD2 3.91Å; N406-W428 HydrophobicContact CB-CE3 3.63Å; N406-W428 HydrophobicContact CB-CH2 3.61Å; N406-W428 HydrophobicContact CB-CZ2 3.94Å; N406-W428 HydrophobicContact CB-CZ3 3.48Å; N406-W428 VanDerWaalsContact CB-CZ3 3.48Å; Y408-W428 AromaticContact CD2-CE3 3.92Å; Y408-W428 HydrophobicContact CD2-CE3 3.92Å; Y408-W428 HydrophobicContact CD2-CZ3 4.33Å; Y408-W428 HydrophobicContact CE2-CE3 4.04Å; Y408-W428 HydrophobicContact CE2-CZ3 4.22Å; V425-W428 PolarHBondContact O-N 2.82Å; E426-W428 VanDerWaalsContact C-N 3.26Å; E426-W428 PolarHBondContact O-N 2.88Å; W428-S430 VanDerWaalsContact C-N 3.31Å; W428-S430 PolarHBondContact O-N 3.11Å; W428-N431 PolarHBondContact O-N 2.83Å; W428-M432 VanDerWaalsContact O-CB 3.29Å; W428-M432 WeakPolarHBondContact O-CB 3.31Å; W428-M432 PolarHBondContact O-N 3.4Å; W428-W440 HydrophobicContact CB-CH2 4.06Å; W428-W440 HydrophobicContact CB-CZ3 4.21Å
429	M	98	Very high	97.1	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-65.3	-33.3	-168.8	-66.3	-57.3	-63.9	0	0	113.1	V425 E426 M432 P438 W440 P470 F575 Y670	V425-M429 HydrophobicContact CG1-CG 4.18Å; V425-M429 VanDerWaalsContact O-CG 3.29Å; V425-M429 WeakPolarHBondContact O-CG 3.49Å; V425-M429 PolarHBondContact O-N 2.79Å; E426-M429 PolarHBondContact O-N 2.86Å; M429-M432 HydrophobicContact CE-CE 4.3Å; M429-M432 HydrophobicContact SD-CE 4.46Å; M429-P438 HydrophobicContact CE-CG 4.39Å; M429-P438 HydrophobicContact SD-CB 3.95Å; M429-P438 HydrophobicContact SD-CG 3.99Å; M429-W440 HydrophobicContact CG-CH2 4.11Å; M429-W440 HydrophobicContact CG-CZ2 4.23Å; M429-W440 HydrophobicContact SD-CH2 4.26Å; M429-W440 HydrophobicContact SD-CZ2 3.87Å; M429-P470 HydrophobicContact CE-CG 4.05Å; M429-P470 HydrophobicContact SD-CG 4.24Å; M429-F575 HydrophobicContact CE-CD1 4.23Å; M429-F575 HydrophobicContact CG-CE1 4.25Å; M429-Y670 HydrophobicContact CB-CD1 4.07Å; M429-Y670 HydrophobicContact CB-CD2 4.28Å; M429-Y670 HydrophobicContact CB-CE1 4.01Å; M429-Y670 HydrophobicContact CB-CE2 4.26Å; M429-Y670 HydrophobicContact CB-CG 4.21Å; M429-Y670 HydrophobicContact CE-CD1 4.07Å; M429-Y670 HydrophobicContact CE-CD2 4.36Å; M429-Y670 HydrophobicContact CE-CG 3.67Å; M429-Y670 WeakPolarHBondContact O-CD1 3.27Å; M429-Y670 WeakPolarHBondContact O-CE1 3.22Å
430	S	96.8	Very high	97.1	Very high	64 Å²	64	35.1 Å²	35.1	45%	0.448	20%	0.197	S	C	.	.	H	α-helix	trans	-79.3	-25	-180	64.2	0	0	0	0	114.1	E426 W428	E426-S430 VanDerWaalsContact O-CB 3.26Å; E426-S430 WeakPolarHBondContact O-CB 3.47Å; E426-S430 PolarHBondContact O-N 2.71Å; E426-S430 PolarHBondContact O-OG 3.33Å; W428-S430 VanDerWaalsContact C-N 3.31Å; W428-S430 PolarHBondContact O-N 3.11Å
431	N	97.4	Very high	97.1	Very high	55 Å²	55	32.2 Å²	32.2	29%	0.294	19%	0.187	S	C	.	.	H	α-helix	trans	-99.3	-24.8	-178.7	-67.5	-68.7	0	0	0	113.1	V386 M390 L427 W428	V386-N431 HydrophobicContact CG1-CB 4.31Å; V386-N431 HydrophobicContact CG2-CB 3.96Å; M390-N431 HydrophobicContact CE-CB 4.2Å; M390-N431 HydrophobicContact CG-CB 4.02Å; M390-N431 WeakPolarHBondContact CG-O 3.44Å; L427-N431 PolarHBondContact O-ND2 3.24Å; W428-N431 PolarHBondContact O-N 2.83Å
432	M	97	Very high	97.1	Very high	18 Å²	18	32.5 Å²	32.5	9%	0.089	19%	0.188	C	C	.	.	S	Bend	trans	-58.1	133.2	177.3	-179.1	-177.7	68	0	0	111.3	M390 Y393 W428 M429 S434 K436 P438	M390-M432 VanDerWaalsContact SD-CA 3.52Å; M390-M432 HydrophobicContact SD-CB 4.08Å; Y393-M432 HydrophobicContact CD2-CG 4.37Å; Y393-M432 HydrophobicContact CE2-CG 3.72Å; Y393-M432 HydrophobicContact CE2-SD 4.31Å; Y393-M432 PolarHBondContact OH-SD 2.59Å; Y393-M432 VanDerWaalsContact OH-SD 3.35Å; W428-M432 VanDerWaalsContact O-CB 3.29Å; W428-M432 WeakPolarHBondContact O-CB 3.31Å; W428-M432 PolarHBondContact O-N 3.4Å; M429-M432 HydrophobicContact CE-CE 4.3Å; M429-M432 HydrophobicContact SD-CE 4.46Å; M432-S434 PolarHBondContact O-N 2.89Å; M432-K436 WeakPolarHBondContact CE-O 3.33Å; M432-K436 HydrophobicContact CG-CB 3.91Å; M432-K436 HydrophobicContact SD-CB 4.06Å; M432-P438 HydrophobicContact CE-CB 4.2Å; M432-P438 HydrophobicContact CE-CG 4.16Å; M432-P438 HydrophobicContact SD-CB 3.84Å; M432-P438 HydrophobicContact SD-CG 4.32Å
433	P	95.9	Very high	97	Very high	47 Å²	47	30.1 Å²	30.1	31%	0.305	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-57.6	136.7	177.9	-22.6	31.6	0	0	0	111.9	Y393 G435 K436	Y393-P433 HydrophobicContact CD2-CG 4.47Å; P433-G435 PolarHBondContact O-N 2.72Å; P433-K436 HydrophobicContact CB-CG 3.83Å; P433-K436 HydrophobicContact CG-CG 4.32Å; P433-K436 VanDerWaalsContact O-CB 3.27Å; P433-K436 WeakPolarHBondContact O-CB 3.48Å; P433-K436 WeakPolarHBondContact O-CG 3.28Å; P433-K436 PolarHBondContact O-N 3.06Å
434	S	92.9	Very high	96.9	Very high	130 Å²	130	26 Å²	26	91%	0.909	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	130.6	-175.4	177.3	0	0	0	0	112.4	M432 K436	M432-S434 PolarHBondContact O-N 2.89Å; S434-K436 VanDerWaalsContact C-N 3.29Å; S434-K436 PolarHBondContact O-N 3.14Å
435	G	90.7	Very high	96.8	Very high	36 Å²	36	26 Å²	26	37%	0.371	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	-7.4	178.6	0	0	0	0	0	115.3	P433	P433-G435 PolarHBondContact O-N 2.72Å
436	K	95.8	Very high	96.6	Very high	55 Å²	55	27.7 Å²	27.7	24%	0.239	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-71.6	162.3	173.6	-65.3	-70	-178.4	160.4	0	111.7	Y393 M432 P433 S434 S672	Y393-K436 HydrophobicContact CD1-CB 3.78Å; Y393-K436 HydrophobicContact CD1-CD 3.88Å; Y393-K436 HydrophobicContact CD1-CG 3.91Å; Y393-K436 HydrophobicContact CE1-CB 3.78Å; Y393-K436 HydrophobicContact CE1-CG 4.42Å; Y393-K436 HydrophobicContact CG-CB 4.3Å; Y393-K436 HydrophobicContact CG-CD 4.36Å; Y393-K436 HydrophobicContact CG-CG 4.15Å; Y393-K436 PolarHBondContact O-NZ 2.79Å; M432-K436 WeakPolarHBondContact CE-O 3.33Å; M432-K436 HydrophobicContact CG-CB 3.91Å; M432-K436 HydrophobicContact SD-CB 4.06Å; P433-K436 HydrophobicContact CB-CG 3.83Å; P433-K436 HydrophobicContact CG-CG 4.32Å; P433-K436 VanDerWaalsContact O-CB 3.27Å; P433-K436 WeakPolarHBondContact O-CB 3.48Å; P433-K436 WeakPolarHBondContact O-CG 3.28Å; P433-K436 PolarHBondContact O-N 3.06Å; S434-K436 VanDerWaalsContact C-N 3.29Å; S434-K436 PolarHBondContact O-N 3.14Å; K436-S672 VanDerWaalsContact O-CB 3.29Å; K436-S672 WeakPolarHBondContact O-CB 3.23Å; K436-S672 PolarHBondContact O-OG 2.92Å
437	W	97.6	Very high	96.5	Very high	13 Å²	13	28.8 Å²	28.8	5%	0.049	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-94.6	121.1	-174.7	-164.7	-96.1	0	0	0	111.2	L112 W115 H116 Y393 T472 L571 E673	L112-W437 HydrophobicContact CD1-CH2 4.15Å; L112-W437 HydrophobicContact CD2-CH2 4.01Å; L112-W437 HydrophobicContact CD2-CZ3 3.96Å; W115-W437 HydrophobicContact CH2-CB 4.14Å; W115-W437 HydrophobicContact CH2-CG 4.34Å; W115-W437 HydrophobicContact CZ3-CB 4.02Å; W115-W437 AromaticContact CZ3-CD1 3.54Å; W115-W437 AromaticContact CZ3-CG 3.83Å; W115-W437 HydrophobicContact CZ3-CG 3.83Å; H116-W437 HydrophobicContact CB-CD2 4.47Å; H116-W437 HydrophobicContact CB-CH2 3.94Å; H116-W437 HydrophobicContact CB-CZ2 3.55Å; H116-W437 AromaticContact CD2-CD1 3.8Å; H116-W437 AromaticContact CD2-CD2 3.3Å; H116-W437 AromaticContact CD2-CE2 3.45Å; H116-W437 VanDerWaalsContact CD2-CE2 3.45Å; H116-W437 AromaticContact CD2-CE3 3.74Å; H116-W437 AromaticContact CD2-CG 3.54Å; H116-W437 AromaticContact CD2-NE1 3.68Å; H116-W437 AromaticContact CG-CE2 3.96Å; H116-W437 AromaticContact NE2-CD2 4Å; H116-W437 WeakPolarHBondContact O-CZ2 3.44Å; Y393-W437 WeakPolarHBondContact CE1-O 3.43Å; Y393-W437 PolarHBondContact OH-O 3.22Å; W437-T472 PolarHBondContact NE1-OG1 3.47Å; W437-L571 VanDerWaalsContact CH2-O 3.3Å; W437-L571 WeakPolarHBondContact CH2-O 3.23Å; W437-E673 HydrophobicContact CE3-CG 4.33Å; W437-E673 HydrophobicContact CZ3-CB 4.41Å; W437-E673 HydrophobicContact CZ3-CG 4.33Å
438	P	98.1	Very high	96.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-77.9	166.9	177.9	26.6	-25.2	0	0	0	111.7	M429 M432 W440 P470 G471 T472 S672	M429-P438 HydrophobicContact CE-CG 4.39Å; M429-P438 HydrophobicContact SD-CB 3.95Å; M429-P438 HydrophobicContact SD-CG 3.99Å; M432-P438 HydrophobicContact CE-CB 4.2Å; M432-P438 HydrophobicContact CE-CG 4.16Å; M432-P438 HydrophobicContact SD-CB 3.84Å; M432-P438 HydrophobicContact SD-CG 4.32Å; P438-W440 HydrophobicContact CB-CZ2 4.45Å; P438-P470 HydrophobicContact CG-CB 4.3Å; P438-P470 HydrophobicContact CG-CG 4.23Å; P438-G471 CarbonylContact O-C 3.41Å; P438-G471 WeakPolarHBondContact O-CA 3.41Å; P438-T472 PolarHBondContact O-N 3.17Å; P438-S672 WeakPolarHBondContact CD-OG 3.46Å
439	N	98.6	Very high	96.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	167.5	169.3	74.2	97.2	0	0	0	110	F403 P404 N406 T472	F403-N439 HydrophobicContact CD1-CB 4.43Å; F403-N439 HydrophobicContact CD2-CB 3.86Å; F403-N439 VanDerWaalsContact CD2-CG 3.47Å; F403-N439 WeakPolarHBondContact CD2-ND2 3.44Å; F403-N439 HydrophobicContact CE1-CB 4.21Å; F403-N439 HydrophobicContact CE2-CB 3.62Å; F403-N439 HydrophobicContact CG-CB 4.25Å; F403-N439 HydrophobicContact CZ-CB 3.79Å; P404-N439 PolarHBondContact O-ND2 2.88Å; N406-N439 WeakPolarHBondContact CB-O 3.28Å; N406-N439 PolarHBondContact N-OD1 2.97Å; N406-N439 PolarHBondContact ND2-O 2.84Å; N439-T472 CarbonylContact C-O 3.47Å; N439-T472 WeakPolarHBondContact CA-O 3.36Å; N439-T472 VanDerWaalsContact CB-O 3.26Å; N439-T472 WeakPolarHBondContact CB-O 3.08Å
440	W	98.6	Very high	96.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	129.8	-175.1	-55.3	100.8	0	0	0	111	N406 L409 V425 W428 M429 P438 L466 L469 P470 T472 T474	N406-W440 WeakPolarHBondContact ND2-CZ3 3.13Å; L409-W440 HydrophobicContact CD1-CB 4.06Å; L409-W440 HydrophobicContact CD1-CD2 4.08Å; L409-W440 HydrophobicContact CD1-CE3 3.4Å; L409-W440 VanDerWaalsContact CD1-CE3 3.4Å; L409-W440 HydrophobicContact CD1-CG 4.35Å; L409-W440 HydrophobicContact CD1-CZ3 4.22Å; L409-W440 HydrophobicContact CG-CE3 3.85Å; L409-W440 HydrophobicContact CG-CZ3 4.34Å; V425-W440 HydrophobicContact CB-CH2 3.99Å; V425-W440 HydrophobicContact CB-CZ3 4.21Å; V425-W440 HydrophobicContact CG1-CH2 3.48Å; V425-W440 VanDerWaalsContact CG1-CH2 3.48Å; V425-W440 HydrophobicContact CG1-CZ2 4.02Å; V425-W440 HydrophobicContact CG1-CZ3 4.16Å; V425-W440 HydrophobicContact CG2-CH2 4.19Å; V425-W440 HydrophobicContact CG2-CZ3 4.06Å; W428-W440 HydrophobicContact CB-CH2 4.06Å; W428-W440 HydrophobicContact CB-CZ3 4.21Å; M429-W440 HydrophobicContact CG-CH2 4.11Å; M429-W440 HydrophobicContact CG-CZ2 4.23Å; M429-W440 HydrophobicContact SD-CH2 4.26Å; M429-W440 HydrophobicContact SD-CZ2 3.87Å; P438-W440 HydrophobicContact CB-CZ2 4.45Å; W440-L466 HydrophobicContact CB-CD1 3.68Å; W440-L466 WeakPolarHBondContact O-CD1 3.26Å; W440-L469 HydrophobicContact CD2-CB 4.39Å; W440-L469 HydrophobicContact CD2-CD1 3.61Å; W440-L469 HydrophobicContact CE3-CD1 3.96Å; W440-L469 HydrophobicContact CG-CB 4.32Å; W440-L469 HydrophobicContact CG-CD1 3.99Å; W440-L469 HydrophobicContact CH2-CD1 4.44Å; W440-L469 HydrophobicContact CZ2-CB 4.46Å; W440-L469 HydrophobicContact CZ2-CD1 4.12Å; W440-L469 HydrophobicContact CZ3-CD1 4.35Å; W440-P470 PolarHBondContact NE1-O 3.19Å; W440-T472 PolarHBondContact N-O 2.78Å; W440-T472 VanDerWaalsContact N-O 3.1Å; W440-T474 PolarHBondContact O-N 3.01Å
441	V	98.3	Very high	96.2	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.012	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128	177.6	-172.5	0	0	0	0	108.7	F405 N406 F407 L409 L410 G443 T474	F405-V441 HydrophobicContact CD1-CG2 3.7Å; F405-V441 HydrophobicContact CE1-CG2 4.3Å; N406-V441 WeakPolarHBondContact O-CB 3.46Å; N406-V441 WeakPolarHBondContact O-CG2 3.32Å; N406-V441 PolarHBondContact O-N 3.39Å; F407-V441 HydrophobicContact CD1-CB 4.16Å; F407-V441 HydrophobicContact CD1-CG1 4.2Å; F407-V441 HydrophobicContact CD1-CG2 4.19Å; F407-V441 HydrophobicContact CE1-CG1 4.35Å; F407-V441 HydrophobicContact CE1-CG2 4.21Å; L409-V441 VanDerWaalsContact CB-O 3.29Å; L409-V441 WeakPolarHBondContact CB-O 3.48Å; L410-V441 HydrophobicContact CD2-CG1 4.23Å; V441-G443 VanDerWaalsContact CG1-O 3.24Å; V441-G443 WeakPolarHBondContact CG1-O 3.44Å; V441-T474 HydrophobicContact CG2-CG2 4.45Å
442	V	97.3	Very high	96.2	Very high	6 Å²	6	26.6 Å²	26.6	4%	0.036	16%	0.161	C	C	.	.	S	Bend	trans	-113.4	-10.2	178.5	-62.4	0	0	0	0	113.3	L409 L410 I450 I462 L466	L409-V442 HydrophobicContact CB-CG1 4.19Å; L409-V442 HydrophobicContact CD1-CG1 4.23Å; L410-V442 VanDerWaalsContact CD2-C 3.46Å; V442-I450 HydrophobicContact CB-CG2 4.24Å; V442-I450 HydrophobicContact CG2-CD1 4.4Å; V442-I450 HydrophobicContact CG2-CG2 4.43Å; V442-I450 WeakPolarHBondContact O-CG2 3.04Å; V442-I462 HydrophobicContact CB-CG2 3.85Å; V442-I462 HydrophobicContact CG1-CG2 3.71Å; V442-I462 HydrophobicContact CG2-CG2 4.03Å; V442-L466 HydrophobicContact CG1-CD1 4.34Å; V442-L466 HydrophobicContact CG2-CD2 3.92Å
443	G	96.8	Very high	96.1	Very high	1 Å²	1	28 Å²	28	1%	0.01	17%	0.172	C	C	.	.			trans	-165.1	162.6	172.9	0	0	0	0	0	111	V441 E479	V441-G443 VanDerWaalsContact CG1-O 3.24Å; V441-G443 WeakPolarHBondContact CG1-O 3.44Å; G443-E479 WeakPolarHBondContact CA-OE1 3.43Å; G443-E479 PolarHBondContact N-OE1 2.87Å; G443-E479 VanDerWaalsContact N-OE1 3.09Å
444	N	97.1	Very high	96	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.021	16%	0.163	C	C	.	.			trans	-161.2	-174.3	176.8	62.2	30.2	0	0	0	108.9	Y381 D446 R447 Y476	Y381-N444 PolarHBondContact OH-ND2 3.43Å; N444-D446 VanDerWaalsContact C-N 3.25Å; N444-D446 PolarHBondContact O-N 3.07Å; N444-D446 PolarHBondContact OD1-N 3.24Å; N444-R447 PolarHBondContact OD1-N 3.46Å; N444-Y476 WeakPolarHBondContact O-CE1 3.19Å
445	H	95.6	Very high	96.1	Very high	3 Å²	3	21.3 Å²	21.3	1%	0.014	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-0.1	179.3	72	-41.1	0	0	0	116.5	Q122 Y124 Y172 Y476 R510	Q122-H445 PolarHBondContact NE2-ND1 3.4Å; Y124-H445 HydrophobicContact CD2-CB 4.09Å; Y124-H445 HydrophobicContact CE2-CB 4.46Å; Y124-H445 AromaticContact CE2-CD2 3.99Å; Y172-H445 AromaticContact CE2-CD2 3.98Å; Y172-H445 AromaticContact CE2-NE2 3.3Å; Y172-H445 VanDerWaalsContact CE2-NE2 3.3Å; Y172-H445 WeakPolarHBondContact CE2-NE2 3.28Å; Y172-H445 AromaticContact CZ-NE2 3.3Å; Y172-H445 VanDerWaalsContact CZ-NE2 3.3Å; Y172-H445 PolarHBondContact OH-CE1 3.02Å; Y172-H445 VanDerWaalsContact OH-CE1 3.23Å; Y172-H445 PolarHBondContact OH-NE2 3.07Å; H445-Y476 HydrophobicContact CB-CE2 3.89Å; H445-R510 PolarHBondContact CD2-NH2 3.22Å; H445-R510 VanDerWaalsContact O-CZ 3.29Å; H445-R510 PolarHBondContact O-NE 3.12Å; H445-R510 PolarHBondContact O-NH2 3.45Å
446	D	94	Very high	96.3	Very high	37 Å²	37	26.3 Å²	26.3	20%	0.198	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-3.2	178.4	-56.8	-57.8	0	0	0	113.1	N444 R506 R510	N444-D446 VanDerWaalsContact C-N 3.25Å; N444-D446 PolarHBondContact O-N 3.07Å; N444-D446 PolarHBondContact OD1-N 3.24Å; D446-R506 WeakPolarHBondContact OD1-CD 3.44Å; D446-R506 IonicContact OD1-CZ 3.73Å; D446-R506 IonicContact OD1-NE 2.65Å; D446-R506 IonicContact OD1-NH1 3.43Å; D446-R506 PolarHBondContact OD1-NH1 3.24Å; D446-R510 IonicContact OD1-NH2 2.69Å; D446-R510 PolarHBondContact OD1-NH2 2.89Å
447	R	94.8	Very high	96.2	Very high	88 Å²	88	29.1 Å²	29.1	33%	0.332	15%	0.154	S	C	.	.	S	Bend	trans	-121.5	145	-179.6	-67.4	-51.7	-163.5	164.7	3	111.4	Y383 L410 N444 R449 E509	Y383-R447 VanDerWaalsContact CZ-NH2 3.3Å; Y383-R447 PolarHBondContact OH-NH2 3.31Å; L410-R447 HydrophobicContact CB-CG 4.32Å; L410-R447 HydrophobicContact CD1-CG 3.63Å; L410-R447 HydrophobicContact CD2-CB 4.38Å; L410-R447 HydrophobicContact CD2-CG 4.16Å; L410-R447 HydrophobicContact CG-CG 4.24Å; N444-R447 PolarHBondContact OD1-N 3.46Å; R447-R449 PolarHBondContact O-N 2.96Å; R447-E509 WeakPolarHBondContact O-CB 3.39Å; R447-E509 WeakPolarHBondContact O-CG 3.49Å
448	P	96.1	Very high	96.2	Very high	59 Å²	59	29.2 Å²	29.2	38%	0.383	15%	0.154	S	C	.	.			trans	-52.9	137.6	172.8	-28	35.7	0	0	0	112.7	I450	P448-I450 PolarHBondContact O-N 3.01Å
449	R	97.8	Very high	96.1	Very high	3 Å²	3	29.4 Å²	29.4	1%	0.011	16%	0.155	C	C	.	.			trans	-57	138.8	178.2	-68.7	175.5	171.8	-74.1	-5	111.1	R447 G451 S452 S453 Y477 E484 N485 E509	R447-R449 PolarHBondContact O-N 2.96Å; R449-G451 PolarHBondContact O-N 3.42Å; R449-G451 VanDerWaalsContact O-N 3.1Å; R449-S452 PolarHBondContact O-N 3.2Å; R449-S453 PolarHBondContact O-N 3.21Å; R449-S453 PolarHBondContact O-OG 3.23Å; R449-Y477 PolarHBondContact NH1-O 3.24Å; R449-Y477 PolarHBondContact NH2-O 3.39Å; R449-Y477 PolarHBondContact NH2-OH 3.49Å; R449-E484 VanDerWaalsContact CD-C 3.42Å; R449-E484 WeakPolarHBondContact CD-O 3.47Å; R449-N485 VanDerWaalsContact CB-OD1 3.3Å; R449-N485 WeakPolarHBondContact CB-OD1 3.37Å; R449-N485 WeakPolarHBondContact CG-OD1 3.28Å; R449-N485 PolarHBondContact N-OD1 3.03Å; R449-E509 HydrophobicContact CG-CB 3.95Å; R449-E509 VanDerWaalsContact CZ-O 3.28Å; R449-E509 PolarHBondContact NE-O 2.76Å; R449-E509 VanDerWaalsContact NE-O 3.14Å; R449-E509 PolarHBondContact NH2-O 3.39Å
450	I	95.8	Very high	96.1	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.026	17%	0.17	C	C	.	.	H	α-helix	trans	-55.7	-31.2	179.6	60.2	171.8	0	0	0	113.6	V442 P448 S452 S453 A454 G455 V459 I462 E479	V442-I450 HydrophobicContact CB-CG2 4.24Å; V442-I450 HydrophobicContact CG2-CD1 4.4Å; V442-I450 HydrophobicContact CG2-CG2 4.43Å; V442-I450 WeakPolarHBondContact O-CG2 3.04Å; P448-I450 PolarHBondContact O-N 3.01Å; I450-S452 PolarHBondContact O-N 3.2Å; I450-S453 WeakPolarHBondContact CA-OG 3.4Å; I450-A454 WeakPolarHBondContact O-CB 3.46Å; I450-A454 PolarHBondContact O-N 3.46Å; I450-G455 PolarHBondContact O-N 3.37Å; I450-V459 HydrophobicContact CD1-CG1 4.33Å; I450-V459 HydrophobicContact CG1-CG2 4.43Å; I450-I462 HydrophobicContact CB-CD1 4.41Å; I450-I462 HydrophobicContact CD1-CB 4.4Å; I450-I462 HydrophobicContact CD1-CG2 4.02Å; I450-E479 HydrophobicContact CD1-CG 4.36Å; I450-E479 HydrophobicContact CG1-CG 4.44Å
451	G	95.2	Very high	96	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.01	17%	0.17	C	C	.	.	I	π-helix	trans	-61.2	-28.8	175.9	0	0	0	0	0	113.2	R449 G455 R456	R449-G451 PolarHBondContact O-N 3.42Å; R449-G451 VanDerWaalsContact O-N 3.1Å; G451-G455 CarbonylContact O-C 3.26Å; G451-G455 VanDerWaalsContact O-C 3.31Å; G451-G455 WeakPolarHBondContact O-CA 3.38Å; G451-R456 PolarHBondContact O-N 3.01Å; G451-R456 VanDerWaalsContact O-N 3.16Å
452	S	96.4	Very high	96	Very high	51 Å²	51	33.4 Å²	33.4	36%	0.357	17%	0.17	S	C	.	.	I	π-helix	trans	-98.4	-43	178.7	-61.7	0	0	0	0	113	R449 I450 E484 N485	R449-S452 PolarHBondContact O-N 3.2Å; I450-S452 PolarHBondContact O-N 3.2Å; S452-E484 WeakPolarHBondContact OG-CA 3.4Å; S452-E484 WeakPolarHBondContact OG-CB 3.34Å; S452-N485 PolarHBondContact OG-N 2.91Å
453	S	94.8	Very high	96.1	Very high	47 Å²	47	33.1 Å²	33.1	33%	0.329	17%	0.169	S	C	.	.	I	π-helix	trans	-75.3	-48.8	-176	55.1	0	0	0	0	112.7	P413 R449 I450	P413-S453 WeakPolarHBondContact CG-OG 3.47Å; R449-S453 PolarHBondContact O-N 3.21Å; R449-S453 PolarHBondContact O-OG 3.23Å; I450-S453 WeakPolarHBondContact CA-OG 3.4Å
454	A	94.7	Very high	96.2	Very high	15 Å²	15	33 Å²	33	12%	0.124	17%	0.168	C	C	.	.	I	π-helix	trans	-86.2	-30.9	175	0	0	0	0	0	111.8	P413 I450 Y458 I462	P413-A454 HydrophobicContact CB-CB 4.23Å; P413-A454 HydrophobicContact CG-CB 4.17Å; I450-A454 WeakPolarHBondContact O-CB 3.46Å; I450-A454 PolarHBondContact O-N 3.46Å; A454-Y458 VanDerWaalsContact O-CD2 3.25Å; A454-Y458 WeakPolarHBondContact O-CD2 3.45Å; A454-I462 HydrophobicContact CB-CD1 3.68Å
455	G	94.4	Very high	96.2	Very high	22 Å²	22	32.9 Å²	32.9	23%	0.227	17%	0.167	C	C	.	.	I	π-helix	trans	101	148.5	-177.3	0	0	0	0	0	112.8	I450 G451 M457 Y458	I450-G455 PolarHBondContact O-N 3.37Å; G451-G455 CarbonylContact O-C 3.26Å; G451-G455 VanDerWaalsContact O-C 3.31Å; G451-G455 WeakPolarHBondContact O-CA 3.38Å; G455-M457 PolarHBondContact O-N 2.89Å; G455-Y458 PolarHBondContact O-N 3.42Å
456	R	94.1	Very high	96.4	Very high	140 Å²	140	32.7 Å²	32.7	53%	0.528	17%	0.166	S	C	.	.	H	α-helix	trans	-48.6	-34.6	-175.9	-61.5	-176.4	-170.1	-162.5	-6.2	114.8	G451 Y458 V459 E484	G451-R456 PolarHBondContact O-N 3.01Å; G451-R456 VanDerWaalsContact O-N 3.16Å; R456-Y458 PolarHBondContact O-N 3.06Å; R456-V459 PolarHBondContact O-N 3.04Å; R456-E484 IonicContact CZ-OE1 3.77Å; R456-E484 IonicContact CZ-OE2 3.69Å; R456-E484 IonicContact NE-OE1 3.42Å; R456-E484 PolarHBondContact NE-OE1 3.35Å; R456-E484 IonicContact NE-OE2 2.73Å; R456-E484 PolarHBondContact NE-OE2 3.23Å; R456-E484 IonicContact NH1-OE2 2.84Å; R456-E484 VanDerWaalsContact NH2-CD 3.26Å; R456-E484 IonicContact NH2-OE1 3.85Å; R456-E484 PolarHBondContact NH2-OE1 2.71Å; R456-E484 VanDerWaalsContact NH2-OE1 3.14Å; R456-E484 IonicContact NH2-OE2 3.57Å; R456-E484 PolarHBondContact NH2-OE2 3.35Å
457	M	94	Very high	96.6	Very high	114 Å²	114	31 Å²	31	56%	0.562	16%	0.157	S	C	*	.	H	α-helix	trans	-57.9	-37.1	179.4	-177.1	-176.3	-69.3	0	0	112.3	G455 A647	G455-M457 PolarHBondContact O-N 2.89Å; M457-A647 HydrophobicContact SD-CB 3.91Å
458	Y	96.8	Very high	96.8	Very high	16 Å²	16	26.9 Å²	26.9	6%	0.063	14%	0.142	C	C	.	.	H	α-helix	trans	-93.1	-11.5	-173.2	-63.5	-73.9	0	0	0	114.2	T416 A454 G455 R456 R460 A461 I462 F604 G605	T416-Y458 HydrophobicContact CG2-CD2 4.17Å; T416-Y458 HydrophobicContact CG2-CE2 3.97Å; A454-Y458 VanDerWaalsContact O-CD2 3.25Å; A454-Y458 WeakPolarHBondContact O-CD2 3.45Å; G455-Y458 PolarHBondContact O-N 3.42Å; R456-Y458 PolarHBondContact O-N 3.06Å; Y458-R460 PolarHBondContact O-N 3.32Å; Y458-A461 PolarHBondContact O-N 2.72Å; Y458-I462 WeakPolarHBondContact O-CB 3.39Å; Y458-I462 VanDerWaalsContact O-CG1 3.29Å; Y458-I462 WeakPolarHBondContact O-CG1 3.32Å; Y458-I462 PolarHBondContact O-N 2.85Å; Y458-F604 HydrophobicContact CD1-CD1 4.3Å; Y458-F604 VanDerWaalsContact CE1-O 3.29Å; Y458-F604 WeakPolarHBondContact CE1-O 3.3Å; Y458-F604 PolarHBondContact OH-O 3.25Å; Y458-G605 PolarHBondContact OH-O 3.46Å
459	V	97.4	Very high	96.9	Very high	3 Å²	3	24 Å²	24	2%	0.018	12%	0.124	C	C	.	.	H	α-helix	trans	-51.4	-46.4	-179.2	175.1	0	0	0	0	111.4	I450 R456 I462 N463 V553	I450-V459 HydrophobicContact CD1-CG1 4.33Å; I450-V459 HydrophobicContact CG1-CG2 4.43Å; R456-V459 PolarHBondContact O-N 3.04Å; V459-I462 PolarHBondContact O-N 3.29Å; V459-N463 WeakPolarHBondContact O-CB 3.29Å; V459-N463 PolarHBondContact O-N 2.92Å; V459-V553 HydrophobicContact CG1-CG1 3.7Å; V459-V553 HydrophobicContact CG1-CG2 4.42Å
460	R	97.5	Very high	96.9	Very high	83 Å²	83	24.3 Å²	24.3	31%	0.313	13%	0.126	S	C	.	.	H	α-helix	trans	-63.2	-42.4	177.9	-69	-159.3	177	103.7	-2.6	112.8	Y458 L464 G551 V553 Q556 T629	Y458-R460 PolarHBondContact O-N 3.32Å; R460-L464 WeakPolarHBondContact O-CB 3.12Å; R460-L464 PolarHBondContact O-N 2.84Å; R460-G551 PolarHBondContact NH2-O 2.97Å; R460-V553 HydrophobicContact CG-CG2 4.16Å; R460-Q556 PolarHBondContact O-NE2 3.05Å; R460-T629 HydrophobicContact CB-CG2 3.75Å
461	A	97.7	Very high	97	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-68.9	-40.3	179.1	0	0	0	0	0	112.2	Y458 L464 M465 I602 F604	Y458-A461 PolarHBondContact O-N 2.72Å; A461-L464 WeakPolarHBondContact O-CB 3.39Å; A461-L464 PolarHBondContact O-N 2.88Å; A461-M465 PolarHBondContact O-N 3.07Å; A461-I602 HydrophobicContact CB-CG2 3.76Å; A461-F604 HydrophobicContact CB-CE1 4.42Å
462	I	98.3	Very high	97.2	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.015	13%	0.126	C	C	.	.	H	α-helix	trans	-66.9	-46.6	177.9	-65.8	172.9	0	0	0	110.3	L412 V442 I450 A454 Y458 V459 L464 M465 L466 F604	L412-I462 HydrophobicContact CD2-CD1 3.98Å; L412-I462 HydrophobicContact CD2-CG1 3.72Å; L412-I462 HydrophobicContact CD2-CG2 4.44Å; V442-I462 HydrophobicContact CB-CG2 3.85Å; V442-I462 HydrophobicContact CG1-CG2 3.71Å; V442-I462 HydrophobicContact CG2-CG2 4.03Å; I450-I462 HydrophobicContact CB-CD1 4.41Å; I450-I462 HydrophobicContact CD1-CB 4.4Å; I450-I462 HydrophobicContact CD1-CG2 4.02Å; A454-I462 HydrophobicContact CB-CD1 3.68Å; Y458-I462 WeakPolarHBondContact O-CB 3.39Å; Y458-I462 VanDerWaalsContact O-CG1 3.29Å; Y458-I462 WeakPolarHBondContact O-CG1 3.32Å; Y458-I462 PolarHBondContact O-N 2.85Å; V459-I462 PolarHBondContact O-N 3.29Å; I462-L464 VanDerWaalsContact C-N 3.28Å; I462-L464 PolarHBondContact O-N 2.95Å; I462-M465 WeakPolarHBondContact O-CB 3.3Å; I462-M465 PolarHBondContact O-N 2.78Å; I462-M465 VanDerWaalsContact O-N 3.15Å; I462-L466 WeakPolarHBondContact O-CB 3.3Å; I462-L466 PolarHBondContact O-N 2.89Å; I462-F604 HydrophobicContact CG1-CE1 4.13Å
463	N	98.4	Very high	97.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62	-36.2	174.5	-77.3	-15.9	0	0	0	112.2	V459 L467 E479 Y557	V459-N463 WeakPolarHBondContact O-CB 3.29Å; V459-N463 PolarHBondContact O-N 2.92Å; N463-L467 WeakPolarHBondContact O-CB 3.38Å; N463-L467 WeakPolarHBondContact O-CG 3.49Å; N463-L467 PolarHBondContact O-N 2.62Å; N463-L467 VanDerWaalsContact O-N 3.09Å; N463-E479 PolarHBondContact ND2-O 3.39Å; N463-Y557 HydrophobicContact CB-CD2 4.45Å
464	L	98.6	Very high	97.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62.1	-47.9	172.9	-173.3	156	0	0	0	111.1	R460 A461 I462 T468 L560 I600 I602 M627 T629 V652	R460-L464 WeakPolarHBondContact O-CB 3.12Å; R460-L464 PolarHBondContact O-N 2.84Å; A461-L464 WeakPolarHBondContact O-CB 3.39Å; A461-L464 PolarHBondContact O-N 2.88Å; I462-L464 VanDerWaalsContact C-N 3.28Å; I462-L464 PolarHBondContact O-N 2.95Å; L464-T468 WeakPolarHBondContact O-CB 3.29Å; L464-T468 WeakPolarHBondContact O-CG2 3.44Å; L464-T468 PolarHBondContact O-N 2.95Å; L464-T468 VanDerWaalsContact O-N 3.16Å; L464-T468 PolarHBondContact O-OG1 2.85Å; L464-L560 HydrophobicContact CB-CD1 3.99Å; L464-L560 HydrophobicContact CG-CD1 4.37Å; L464-L560 HydrophobicContact CG-CD2 4.21Å; L464-I600 HydrophobicContact CD2-CG2 3.53Å; L464-I602 HydrophobicContact CD2-CD1 3.59Å; L464-I602 HydrophobicContact CD2-CG1 3.81Å; L464-M627 HydrophobicContact CD1-CE 4.16Å; L464-M627 HydrophobicContact CD1-SD 4.02Å; L464-T629 HydrophobicContact CB-CG2 4.46Å; L464-T629 HydrophobicContact CD1-CG2 3.81Å; L464-V652 HydrophobicContact CD1-CG2 3.96Å; L464-V652 HydrophobicContact CD2-CG2 4.49Å; L464-V652 HydrophobicContact CG-CG2 4.16Å
465	M	98.6	Very high	97.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.6	-52	175.8	-171.3	170.5	68.4	0	0	111.5	L409 L412 A421 A461 I462 L467 T468 L469 F585 I602 F604	L409-M465 HydrophobicContact CD1-CE 4.1Å; L409-M465 HydrophobicContact CD2-CE 3.92Å; L412-M465 HydrophobicContact CD1-CE 4.38Å; L412-M465 HydrophobicContact CD2-CE 3.65Å; A421-M465 HydrophobicContact CB-SD 4.39Å; A461-M465 PolarHBondContact O-N 3.07Å; I462-M465 WeakPolarHBondContact O-CB 3.3Å; I462-M465 PolarHBondContact O-N 2.78Å; I462-M465 VanDerWaalsContact O-N 3.15Å; M465-L467 VanDerWaalsContact C-N 3.32Å; M465-L467 PolarHBondContact O-N 3.49Å; M465-T468 PolarHBondContact O-N 2.91Å; M465-T468 VanDerWaalsContact O-N 3.15Å; M465-L469 HydrophobicContact CG-CD1 3.73Å; M465-L469 HydrophobicContact CG-CG 3.98Å; M465-L469 VanDerWaalsContact O-CG 3.31Å; M465-L469 WeakPolarHBondContact O-CG 3.2Å; M465-L469 PolarHBondContact O-N 2.84Å; M465-L469 HydrophobicContact SD-CD1 4.49Å; M465-F585 HydrophobicContact SD-CD1 4.03Å; M465-F585 HydrophobicContact SD-CE1 4.06Å; M465-I602 HydrophobicContact CB-CD1 3.6Å; M465-I602 HydrophobicContact CG-CD1 4.08Å; M465-F604 HydrophobicContact CB-CZ 4.47Å; M465-F604 HydrophobicContact CE-CZ 4.03Å; M465-F604 HydrophobicContact SD-CE2 3.97Å; M465-F604 HydrophobicContact SD-CZ 3.73Å
466	L	98.5	Very high	97.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-51.6	-48.9	-179.1	177.8	63.2	0	0	0	112	W440 V442 I462 P473	W440-L466 HydrophobicContact CB-CD1 3.68Å; W440-L466 WeakPolarHBondContact O-CD1 3.26Å; V442-L466 HydrophobicContact CG1-CD1 4.34Å; V442-L466 HydrophobicContact CG2-CD2 3.92Å; I462-L466 WeakPolarHBondContact O-CB 3.3Å; I462-L466 PolarHBondContact O-N 2.89Å; L466-P473 HydrophobicContact CD1-CB 3.66Å; L466-P473 HydrophobicContact CD2-CB 4.46Å; L466-P473 HydrophobicContact CG-CB 3.71Å
467	L	98.5	Very high	98	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-80.6	-16.4	-174.8	-66.8	170.7	0	0	0	113.6	P119 N463 M465 P473 Y557 L560 N561 R564	P119-L467 HydrophobicContact CG-CD2 4.2Å; N463-L467 WeakPolarHBondContact O-CB 3.38Å; N463-L467 WeakPolarHBondContact O-CG 3.49Å; N463-L467 PolarHBondContact O-N 2.62Å; N463-L467 VanDerWaalsContact O-N 3.09Å; M465-L467 VanDerWaalsContact C-N 3.32Å; M465-L467 PolarHBondContact O-N 3.49Å; L467-P473 HydrophobicContact CD2-CB 4.3Å; L467-P473 HydrophobicContact CD2-CG 4.02Å; L467-Y557 HydrophobicContact CD1-CD2 3.85Å; L467-Y557 HydrophobicContact CD1-CE2 3.92Å; L467-Y557 HydrophobicContact CD1-CG 4.2Å; L467-Y557 HydrophobicContact CD2-CE2 4.47Å; L467-Y557 HydrophobicContact CG-CE2 4.49Å; L467-L560 HydrophobicContact CB-CB 3.98Å; L467-L560 HydrophobicContact CD1-CB 3.46Å; L467-L560 VanDerWaalsContact CD1-CB 3.46Å; L467-L560 HydrophobicContact CD1-CD1 4.17Å; L467-L560 HydrophobicContact CD1-CG 4.49Å; L467-L560 HydrophobicContact CG-CB 4.37Å; L467-N561 HydrophobicContact CD1-CB 4.36Å; L467-N561 HydrophobicContact CD2-CB 4.24Å; L467-R564 WeakPolarHBondContact O-CD 3.37Å; L467-R564 PolarHBondContact O-NH1 2.9Å; L467-R564 VanDerWaalsContact O-NH1 3.1Å
468	T	98.6	Very high	98.2	Very high	2 Å²	2	5.7 Å²	5.7	1%	0.012	3%	0.025	C	C	.	.	H	α-helix	trans	-108	-9.3	-177	59.3	0	0	0	0	115	L464 M465 L560 F570 Y587 R589 I600 V652	L464-T468 WeakPolarHBondContact O-CB 3.29Å; L464-T468 WeakPolarHBondContact O-CG2 3.44Å; L464-T468 PolarHBondContact O-N 2.95Å; L464-T468 VanDerWaalsContact O-N 3.16Å; L464-T468 PolarHBondContact O-OG1 2.85Å; M465-T468 PolarHBondContact O-N 2.91Å; M465-T468 VanDerWaalsContact O-N 3.15Å; T468-L560 HydrophobicContact CG2-CD2 4.15Å; T468-F570 HydrophobicContact CG2-CD1 4.36Å; T468-F570 HydrophobicContact CG2-CE1 3.68Å; T468-F570 HydrophobicContact CG2-CZ 4.24Å; T468-Y587 PolarHBondContact OG1-OH 3.29Å; T468-R589 WeakPolarHBondContact O-CD 3.32Å; T468-R589 PolarHBondContact O-NH1 2.96Å; T468-I600 HydrophobicContact CG2-CD1 4.03Å; T468-V652 HydrophobicContact CG2-CG2 4.45Å
469	L	98.7	Very high	98.3	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	2%	0.022	C	C	.	.	S	Bend	trans	-66.7	157.1	166.3	-76.1	175.4	0	0	0	112.2	L409 V425 W440 M465 R564 F575 Y587 R589	L409-L469 HydrophobicContact CD1-CD1 4.25Å; V425-L469 HydrophobicContact CG1-CD2 3.87Å; V425-L469 HydrophobicContact CG2-CD1 3.97Å; V425-L469 HydrophobicContact CG2-CD2 4.27Å; W440-L469 HydrophobicContact CD2-CB 4.39Å; W440-L469 HydrophobicContact CD2-CD1 3.61Å; W440-L469 HydrophobicContact CE3-CD1 3.96Å; W440-L469 HydrophobicContact CG-CB 4.32Å; W440-L469 HydrophobicContact CG-CD1 3.99Å; W440-L469 HydrophobicContact CH2-CD1 4.44Å; W440-L469 HydrophobicContact CZ2-CB 4.46Å; W440-L469 HydrophobicContact CZ2-CD1 4.12Å; W440-L469 HydrophobicContact CZ3-CD1 4.35Å; M465-L469 HydrophobicContact CG-CD1 3.73Å; M465-L469 HydrophobicContact CG-CG 3.98Å; M465-L469 VanDerWaalsContact O-CG 3.31Å; M465-L469 WeakPolarHBondContact O-CG 3.2Å; M465-L469 PolarHBondContact O-N 2.84Å; M465-L469 HydrophobicContact SD-CD1 4.49Å; L469-R564 PolarHBondContact O-NH1 2.97Å; L469-F575 HydrophobicContact CD2-CD2 4.34Å; L469-F575 HydrophobicContact CD2-CE2 3.63Å; L469-F575 HydrophobicContact CD2-CZ 4.06Å; L469-Y587 HydrophobicContact CD2-CE1 4.2Å; L469-Y587 HydrophobicContact CD2-CE2 4.28Å; L469-R589 VanDerWaalsContact C-NH1 3.29Å; L469-R589 PolarHBondContact O-NH1 3.42Å; L469-R589 VanDerWaalsContact O-NH1 3.08Å
470	P	98.3	Very high	98.4	Very high	9 Å²	9	5 Å²	5	6%	0.058	2%	0.021	C	C	.	.	S	Bend	trans	-68.8	160.8	175.1	32.1	-37.9	0	0	0	111	M429 P438 W440 F575	M429-P470 HydrophobicContact CE-CG 4.05Å; M429-P470 HydrophobicContact SD-CG 4.24Å; P438-P470 HydrophobicContact CG-CB 4.3Å; P438-P470 HydrophobicContact CG-CG 4.23Å; W440-P470 PolarHBondContact NE1-O 3.19Å; P470-F575 HydrophobicContact CB-CB 4.02Å; P470-F575 HydrophobicContact CG-CB 3.63Å; P470-F575 HydrophobicContact CG-CD1 4.16Å; P470-F575 HydrophobicContact CG-CD2 4.22Å; P470-F575 HydrophobicContact CG-CG 3.75Å
471	G	97.7	Very high	98.4	Very high	3 Å²	3	1 Å²	1	3%	0.031	1%	0.007	C	C	.	.	S	Bend	trans	80.9	-173.5	176.1	0	0	0	0	0	114.6	P438 P473 R564	P438-G471 CarbonylContact O-C 3.41Å; P438-G471 WeakPolarHBondContact O-CA 3.41Å; G471-P473 WeakPolarHBondContact O-CD 3.46Å; G471-R564 VanDerWaalsContact O-CZ 3.26Å; G471-R564 PolarHBondContact O-NH2 2.8Å
472	T	98.5	Very high	98.4	Very high	0 Å²	0	1.5 Å²	1.5	0%	0	1%	0.012	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	119.7	-169.4	-60.7	0	0	0	0	112.5	W115 V120 F403 W437 P438 N439 W440	W115-T472 WeakPolarHBondContact O-CG2 3.49Å; W115-T472 PolarHBondContact O-OG1 3.13Å; V120-T472 HydrophobicContact CG2-CG2 3.99Å; F403-T472 HydrophobicContact CZ-CG2 4.42Å; W437-T472 PolarHBondContact NE1-OG1 3.47Å; P438-T472 PolarHBondContact O-N 3.17Å; N439-T472 CarbonylContact C-O 3.47Å; N439-T472 WeakPolarHBondContact CA-O 3.36Å; N439-T472 VanDerWaalsContact CB-O 3.26Å; N439-T472 WeakPolarHBondContact CB-O 3.08Å; W440-T472 PolarHBondContact N-O 2.78Å; W440-T472 VanDerWaalsContact N-O 3.1Å
473	P	98.4	Very high	98.4	Very high	0 Å²	0	1.5 Å²	1.5	0%	0	1%	0.011	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	142.4	171.5	29.2	-31	0	0	0	111.3	P119 V120 L466 L467 G471	P119-P473 CarbonylContact C-O 3.53Å; P119-P473 VanDerWaalsContact CA-O 3.26Å; P119-P473 WeakPolarHBondContact CA-O 3.31Å; P119-P473 HydrophobicContact CB-CG 3.81Å; P119-P473 HydrophobicContact CG-CG 3.82Å; V120-P473 PolarHBondContact N-O 3.06Å; L466-P473 HydrophobicContact CD1-CB 3.66Å; L466-P473 HydrophobicContact CD2-CB 4.46Å; L466-P473 HydrophobicContact CG-CB 3.71Å; L467-P473 HydrophobicContact CD2-CB 4.3Å; L467-P473 HydrophobicContact CD2-CG 4.02Å; G471-P473 WeakPolarHBondContact O-CD 3.46Å
474	T	98.3	Very high	98.4	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	2%	0.017	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	130.3	171.1	-56.1	0	0	0	0	109.1	V120 W158 F405 W440 V441	V120-T474 HydrophobicContact CB-CG2 4.23Å; V120-T474 HydrophobicContact CG1-CG2 4.23Å; V120-T474 CarbonylContact O-C 3.54Å; V120-T474 VanDerWaalsContact O-CA 3.31Å; V120-T474 WeakPolarHBondContact O-CA 3.25Å; W158-T474 HydrophobicContact CE3-CG2 4.48Å; W158-T474 HydrophobicContact CZ3-CG2 4.5Å; F405-T474 HydrophobicContact CE1-CG2 4.11Å; W440-T474 PolarHBondContact O-N 3.01Å; V441-T474 HydrophobicContact CG2-CG2 4.45Å
475	T	98.5	Very high	98.4	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126.1	-176.3	-63.1	0	0	0	0	109.9	V120 Y121 Q122 E479 Y557	V120-T475 PolarHBondContact O-N 3.27Å; Y121-T475 CarbonylContact C-O 3.27Å; Y121-T475 WeakPolarHBondContact CA-O 3.47Å; Y121-T475 HydrophobicContact CD2-CG2 4.08Å; Y121-T475 HydrophobicContact CE2-CG2 4.18Å; Q122-T475 PolarHBondContact N-O 2.79Å; T475-E479 VanDerWaalsContact CA-OE2 3.32Å; T475-E479 WeakPolarHBondContact CA-OE2 3.4Å; T475-E479 HydrophobicContact CG2-CB 3.92Å; T475-Y557 WeakPolarHBondContact CB-OH 3.22Å; T475-Y557 HydrophobicContact CG2-CE2 3.88Å; T475-Y557 PolarHBondContact OG1-OH 2.72Å
476	Y	98.8	Very high	98.3	Very high	1 Å²	1	4.4 Å²	4.4	0%	0.004	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	140.7	173.7	-179.1	-126.1	0	0	0	110.6	Q122 N444 H445 G478 E479 E509	Q122-Y476 HydrophobicContact CB-CD2 4.15Å; Q122-Y476 HydrophobicContact CG-CD2 4.03Å; N444-Y476 WeakPolarHBondContact O-CE1 3.19Å; H445-Y476 HydrophobicContact CB-CE2 3.89Å; Y476-G478 PolarHBondContact O-N 3.46Å; Y476-E479 PolarHBondContact N-OE2 2.75Å; Y476-E479 VanDerWaalsContact O-CB 3.31Å; Y476-E479 WeakPolarHBondContact O-CB 3.41Å; Y476-E479 VanDerWaalsContact O-CG 3.27Å; Y476-E479 WeakPolarHBondContact O-CG 3.44Å; Y476-E479 PolarHBondContact O-N 3.07Å; Y476-E509 WeakPolarHBondContact CE1-O 3.23Å; Y476-E509 PolarHBondContact OH-O 3.35Å
477	Y	98.8	Very high	98	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	133.4	-175	84.2	-80.4	0	0	0	112	Y121 Q122 S127 F128 R449 M483 R510 S511 M513	Y121-Y477 WeakPolarHBondContact OH-CA 3.31Å; Y121-Y477 WeakPolarHBondContact OH-CB 3.27Å; Q122-Y477 PolarHBondContact O-N 3.43Å; S127-Y477 WeakPolarHBondContact CB-OH 3.39Å; F128-Y477 HydrophobicContact CD2-CD2 4.39Å; F128-Y477 HydrophobicContact CD2-CG 4.39Å; R449-Y477 PolarHBondContact NH1-O 3.24Å; R449-Y477 PolarHBondContact NH2-O 3.39Å; R449-Y477 PolarHBondContact NH2-OH 3.49Å; Y477-M483 HydrophobicContact CE2-CE 4.31Å; Y477-M483 HydrophobicContact CE2-SD 4.45Å; Y477-R510 VanDerWaalsContact OH-C 3.27Å; Y477-R510 PolarHBondContact OH-O 3.46Å; Y477-S511 PolarHBondContact OH-O 3.08Å; Y477-M513 HydrophobicContact CD2-CB 3.9Å; Y477-M513 HydrophobicContact CD2-CG 4.26Å; Y477-M513 HydrophobicContact CD2-SD 3.83Å; Y477-M513 HydrophobicContact CE2-CB 3.99Å
478	G	98.4	Very high	97.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.5	-16.9	-177.8	0	0	0	0	0	114.5	Y476 E480 I481 G482 M483	Y476-G478 PolarHBondContact O-N 3.46Å; G478-E480 VanDerWaalsContact C-N 3.25Å; G478-E480 VanDerWaalsContact C-OE2 3.28Å; G478-E480 VanDerWaalsContact CA-OE2 3.25Å; G478-E480 WeakPolarHBondContact CA-OE2 3.46Å; G478-E480 PolarHBondContact N-OE2 3.14Å; G478-E480 PolarHBondContact O-N 2.89Å; G478-I481 VanDerWaalsContact O-CG1 3.28Å; G478-I481 WeakPolarHBondContact O-CG1 3.28Å; G478-I481 PolarHBondContact O-N 3.35Å; G478-G482 PolarHBondContact O-N 3.04Å; G478-M483 WeakPolarHBondContact CA-SD 3.29Å; G478-M483 PolarHBondContact O-N 2.88Å
479	E	98.5	Very high	97.2	Very high	3 Å²	3	16.7 Å²	16.7	1%	0.014	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-30.4	175	-71.9	-179.3	155.9	0	0	112.7	G443 I450 N463 T475 Y476 I481 G482	G443-E479 WeakPolarHBondContact CA-OE1 3.43Å; G443-E479 PolarHBondContact N-OE1 2.87Å; G443-E479 VanDerWaalsContact N-OE1 3.09Å; I450-E479 HydrophobicContact CD1-CG 4.36Å; I450-E479 HydrophobicContact CG1-CG 4.44Å; N463-E479 PolarHBondContact ND2-O 3.39Å; T475-E479 VanDerWaalsContact CA-OE2 3.32Å; T475-E479 WeakPolarHBondContact CA-OE2 3.4Å; T475-E479 HydrophobicContact CG2-CB 3.92Å; Y476-E479 PolarHBondContact N-OE2 2.75Å; Y476-E479 VanDerWaalsContact O-CB 3.31Å; Y476-E479 WeakPolarHBondContact O-CB 3.41Å; Y476-E479 VanDerWaalsContact O-CG 3.27Å; Y476-E479 WeakPolarHBondContact O-CG 3.44Å; Y476-E479 PolarHBondContact O-N 3.07Å; E479-I481 PolarHBondContact O-N 3.44Å; E479-G482 PolarHBondContact O-N 3.18Å
480	E	98.6	Very high	96.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-22.6	178.1	81	-79.1	-155.1	0	0	112.7	Y121 H148 L152 G478 M513 V553 L554 Y557	Y121-E480 VanDerWaalsContact OH-CD 3.29Å; Y121-E480 PolarHBondContact OH-OE1 3.39Å; Y121-E480 PolarHBondContact OH-OE2 3.5Å; H148-E480 IonicContact CE1-OE1 3.04Å; H148-E480 IonicContact NE2-OE1 2.74Å; H148-E480 PolarHBondContact NE2-OE1 3.22Å; L152-E480 HydrophobicContact CD1-CG 4.06Å; L152-E480 HydrophobicContact CD2-CB 4.45Å; L152-E480 HydrophobicContact CD2-CG 4.16Å; G478-E480 VanDerWaalsContact C-N 3.25Å; G478-E480 VanDerWaalsContact C-OE2 3.28Å; G478-E480 VanDerWaalsContact CA-OE2 3.25Å; G478-E480 WeakPolarHBondContact CA-OE2 3.46Å; G478-E480 PolarHBondContact N-OE2 3.14Å; G478-E480 PolarHBondContact O-N 2.89Å; E480-M513 VanDerWaalsContact OE1-CE 3.22Å; E480-M513 WeakPolarHBondContact OE1-CE 3.41Å; E480-V553 CarbonylContact O-C 3.5Å; E480-V553 VanDerWaalsContact O-C 3.26Å; E480-V553 WeakPolarHBondContact O-CG1 3.48Å; E480-L554 HydrophobicContact CB-CD1 4.32Å; E480-L554 HydrophobicContact CG-CD1 3.75Å; E480-L554 WeakPolarHBondContact O-CA 3.35Å; E480-L554 PolarHBondContact O-N 3.24Å; E480-Y557 HydrophobicContact CB-CD1 3.95Å; E480-Y557 HydrophobicContact CB-CD2 3.94Å; E480-Y557 HydrophobicContact CB-CE1 4.31Å; E480-Y557 HydrophobicContact CB-CE2 4.3Å; E480-Y557 HydrophobicContact CB-CG 3.77Å
481	I	98.4	Very high	96.2	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-4.5	174	61.3	171.5	0	0	0	112.5	G478 E479 M483 M513 Q514 V543 Q546 L554	G478-I481 VanDerWaalsContact O-CG1 3.28Å; G478-I481 WeakPolarHBondContact O-CG1 3.28Å; G478-I481 PolarHBondContact O-N 3.35Å; E479-I481 PolarHBondContact O-N 3.44Å; I481-M483 HydrophobicContact CD1-CG 3.72Å; I481-M483 HydrophobicContact CD1-SD 4.06Å; I481-M483 HydrophobicContact CG1-CG 3.84Å; I481-M513 HydrophobicContact CD1-CE 3.84Å; I481-M513 HydrophobicContact CD1-SD 4.04Å; I481-M513 HydrophobicContact CG1-CE 4.36Å; I481-Q514 HydrophobicContact CD1-CB 4.07Å; I481-V543 HydrophobicContact CD1-CG2 4.36Å; I481-V543 HydrophobicContact CG2-CG2 3.87Å; I481-Q546 PolarHBondContact O-NE2 2.65Å; I481-L554 HydrophobicContact CG2-CB 4.3Å; I481-L554 HydrophobicContact CG2-CD1 4.29Å; I481-L554 HydrophobicContact CG2-CD2 4.39Å
482	G	97.8	Very high	95.8	Very high	10 Å²	10	30.9 Å²	30.9	10%	0.103	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	42	-178.1	0	0	0	0	0	114.1	G478 E479	G478-G482 PolarHBondContact O-N 3.04Å; E479-G482 PolarHBondContact O-N 3.18Å
483	M	98.6	Very high	95.5	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	17%	0.174	C	C	.	.			trans	-56.5	149.5	170.9	-79.8	178.1	68.5	0	0	111.8	Y477 G478 I481 S511 P512 M513 Q514	Y477-M483 HydrophobicContact CE2-CE 4.31Å; Y477-M483 HydrophobicContact CE2-SD 4.45Å; G478-M483 WeakPolarHBondContact CA-SD 3.29Å; G478-M483 PolarHBondContact O-N 2.88Å; I481-M483 HydrophobicContact CD1-CG 3.72Å; I481-M483 HydrophobicContact CD1-SD 4.06Å; I481-M483 HydrophobicContact CG1-CG 3.84Å; M483-S511 WeakPolarHBondContact CE-OG 3.42Å; M483-P512 WeakPolarHBondContact CE-O 3.21Å; M483-M513 HydrophobicContact SD-SD 3.57Å; M483-Q514 HydrophobicContact CE-CG 4.42Å
484	E	98.2	Very high	95.2	Very high	25 Å²	25	34.9 Å²	34.9	12%	0.117	19%	0.191	C	C	.	.			trans	-118.1	160.3	178.3	-75.8	166.6	108.4	0	0	110.3	R449 S452 R456 H535	R449-E484 VanDerWaalsContact CD-C 3.42Å; R449-E484 WeakPolarHBondContact CD-O 3.47Å; S452-E484 WeakPolarHBondContact OG-CA 3.4Å; S452-E484 WeakPolarHBondContact OG-CB 3.34Å; R456-E484 IonicContact CZ-OE1 3.77Å; R456-E484 IonicContact CZ-OE2 3.69Å; R456-E484 IonicContact NE-OE1 3.42Å; R456-E484 PolarHBondContact NE-OE1 3.35Å; R456-E484 IonicContact NE-OE2 2.73Å; R456-E484 PolarHBondContact NE-OE2 3.23Å; R456-E484 IonicContact NH1-OE2 2.84Å; R456-E484 VanDerWaalsContact NH2-CD 3.26Å; R456-E484 IonicContact NH2-OE1 3.85Å; R456-E484 PolarHBondContact NH2-OE1 2.71Å; R456-E484 VanDerWaalsContact NH2-OE1 3.14Å; R456-E484 IonicContact NH2-OE2 3.57Å; R456-E484 PolarHBondContact NH2-OE2 3.35Å; E484-H535 IonicContact OE2-CE1 2.83Å
485	N	97.6	Very high	94.8	Very high	31 Å²	31	34.9 Å²	34.9	17%	0.166	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-59.2	141.2	171.1	-79.7	16.1	0	0	0	110.6	R449 S452 P508 H535	R449-N485 VanDerWaalsContact CB-OD1 3.3Å; R449-N485 WeakPolarHBondContact CB-OD1 3.37Å; R449-N485 WeakPolarHBondContact CG-OD1 3.28Å; R449-N485 PolarHBondContact N-OD1 3.03Å; S452-N485 PolarHBondContact OG-N 2.91Å; N485-P508 WeakPolarHBondContact CA-O 3.32Å; N485-P508 HydrophobicContact CB-CB 3.79Å; N485-H535 PolarHBondContact O-CD2 3.18Å
486	I	96.7	Very high	94	Very high	6 Å²	6	36.1 Å²	36.1	3%	0.031	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-83.2	152.4	169.8	59.3	168.8	0	0	0	111.1	I488 P508 S511 L532 P533 H535	I486-I488 HydrophobicContact CD1-CD1 3.76Å; I486-I488 HydrophobicContact CD1-CG1 3.76Å; I486-I488 HydrophobicContact CG1-CD1 3.89Å; I486-I488 HydrophobicContact CG1-CG1 3.74Å; I486-P508 PolarHBondContact N-O 3.24Å; I486-P508 VanDerWaalsContact N-O 3.11Å; I486-P508 WeakPolarHBondContact O-CB 3.26Å; I486-S511 VanDerWaalsContact CG2-CB 3.47Å; I486-L532 HydrophobicContact CD1-CB 4.25Å; I486-P533 HydrophobicContact CD1-CB 4.25Å; I486-P533 HydrophobicContact CD1-CG 4.4Å; I486-P533 VanDerWaalsContact CD1-O 3.25Å; I486-P533 WeakPolarHBondContact CD1-O 3.44Å; I486-H535 HydrophobicContact CG2-CB 3.75Å
487	N	93.1	Very high	93.1	Very high	157 Å²	157	36.6 Å²	36.6	84%	0.84	20%	0.202	S	C	*	.	P	Polyproline II helix	trans	-80.9	126.8	167.7	-74	-14.2	0	0	0	109.5
488	I	90.5	Very high	92.4	Very high	30 Å²	30	36.6 Å²	36.6	15%	0.154	20%	0.202	C	C	.	.			trans	-119.3	129	-178.4	-62.5	-176	0	0	0	109.2	I486 Q492 V493 D507 P508 L532	I486-I488 HydrophobicContact CD1-CD1 3.76Å; I486-I488 HydrophobicContact CD1-CG1 3.76Å; I486-I488 HydrophobicContact CG1-CD1 3.89Å; I486-I488 HydrophobicContact CG1-CG1 3.74Å; I488-Q492 HydrophobicContact CG2-CB 3.77Å; I488-V493 HydrophobicContact CG2-CG2 3.72Å; I488-D507 VanDerWaalsContact CD1-C 3.45Å; I488-D507 HydrophobicContact CD1-CB 3.14Å; I488-P508 HydrophobicContact CD1-CG 3.98Å; I488-P508 HydrophobicContact CG1-CG 4.41Å; I488-L532 HydrophobicContact CD1-CD2 4.13Å
489	T	88.9	Confident	91.7	Very high	73 Å²	73	42.3 Å²	42.3	45%	0.448	23%	0.227	S	C	.	.			trans	-81.6	155.9	170.9	62.5	0	0	0	0	110.5	S491 Q492 V493	T489-S491 PolarHBondContact O-N 2.76Å; T489-S491 PolarHBondContact OG1-OG 3.04Å; T489-S491 VanDerWaalsContact OG1-OG 3.09Å; T489-Q492 WeakPolarHBondContact O-CA 3.33Å; T489-Q492 WeakPolarHBondContact O-CB 3.44Å; T489-Q492 PolarHBondContact O-N 3.23Å; T489-Q492 VanDerWaalsContact OG1-CD 3.24Å; T489-Q492 WeakPolarHBondContact OG1-CG 3.28Å; T489-Q492 PolarHBondContact OG1-OE1 3.02Å; T489-V493 PolarHBondContact O-N 3.08Å
490	Q	86.8	Confident	90.6	Very high	125 Å²	125	49.9 Å²	49.9	58%	0.584	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-48.1	-39.9	176.4	-176.8	76.2	59	0	0	113.1	Q492 V493 V502	Q490-Q492 PolarHBondContact O-N 2.95Å; Q490-V493 PolarHBondContact O-N 3.25Å; Q490-V502 VanDerWaalsContact NE2-CG2 3.32Å
491	S	89.8	Confident	89.7	Confident	112 Å²	112	53.2 Å²	53.2	78%	0.783	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-70.4	-16	179.4	47	0	0	0	0	114.6	T489	T489-S491 PolarHBondContact O-N 2.76Å; T489-S491 PolarHBondContact OG1-OG 3.04Å; T489-S491 VanDerWaalsContact OG1-OG 3.09Å
492	Q	90	Very high	89	Confident	72 Å²	72	55.6 Å²	55.6	34%	0.336	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-98.9	-9.8	179.3	-70.9	168.2	-48.3	0	0	112.7	I488 T489 Q490 Q494	I488-Q492 HydrophobicContact CG2-CB 3.77Å; T489-Q492 WeakPolarHBondContact O-CA 3.33Å; T489-Q492 WeakPolarHBondContact O-CB 3.44Å; T489-Q492 PolarHBondContact O-N 3.23Å; T489-Q492 VanDerWaalsContact OG1-CD 3.24Å; T489-Q492 WeakPolarHBondContact OG1-CG 3.28Å; T489-Q492 PolarHBondContact OG1-OE1 3.02Å; Q490-Q492 PolarHBondContact O-N 2.95Å; Q492-Q494 PolarHBondContact O-N 3.44Å
493	V	92	Very high	88.3	Confident	9 Å²	9	59.7 Å²	59.7	6%	0.055	32%	0.317	C	S	.	.			trans	-65.3	120.5	179.9	178.8	0	0	0	0	109.9	I488 T489 Q490 G498 K499 V502	I488-V493 HydrophobicContact CG2-CG2 3.72Å; T489-V493 PolarHBondContact O-N 3.08Å; Q490-V493 PolarHBondContact O-N 3.25Å; V493-G498 VanDerWaalsContact CG1-C 3.42Å; V493-K499 HydrophobicContact CG1-CG 4.24Å; V493-V502 HydrophobicContact CG2-CG1 4.28Å; V493-V502 HydrophobicContact CG2-CG2 4.21Å
494	Q	91.6	Very high	87.6	Confident	76 Å²	76	64 Å²	64	36%	0.355	34%	0.339	S	S	.	.			trans	-103	-35.1	175.7	-61.5	-66.1	-1.5	0	0	111	F170 Q492 K499 D507 W531 L532	F170-Q494 HydrophobicContact CE1-CB 4.32Å; F170-Q494 VanDerWaalsContact CZ-C 3.47Å; F170-Q494 HydrophobicContact CZ-CB 3.68Å; F170-Q494 WeakPolarHBondContact CZ-O 3.46Å; Q492-Q494 PolarHBondContact O-N 3.44Å; Q494-K499 VanDerWaalsContact O-CE 3.28Å; Q494-K499 WeakPolarHBondContact O-CE 3.46Å; Q494-K499 PolarHBondContact O-NZ 3.01Å; Q494-D507 PolarHBondContact N-OD2 3.24Å; Q494-W531 HydrophobicContact CB-CZ3 4.38Å; Q494-W531 HydrophobicContact CG-CE3 4.5Å; Q494-L532 HydrophobicContact CG-CD2 4.31Å
495	D	89.6	Confident	87.4	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.338	C	S	.	.	S	Bend	trans	-60.1	128.7	-177.9	-179.9	34.5	0	0	0	111.3	F170 A497 G498 K499 S505 R506 D507 R510	F170-D495 HydrophobicContact CE2-CB 4.13Å; D495-A497 PolarHBondContact O-N 3.35Å; D495-G498 CarbonylContact O-C 3.4Å; D495-G498 WeakPolarHBondContact O-CA 3.35Å; D495-G498 PolarHBondContact O-N 2.89Å; D495-G498 VanDerWaalsContact O-N 3.13Å; D495-K499 WeakPolarHBondContact O-CG 3.47Å; D495-K499 PolarHBondContact O-N 3Å; D495-S505 VanDerWaalsContact OD2-CA 3.31Å; D495-S505 WeakPolarHBondContact OD2-CA 3.28Å; D495-R506 IonicContact OD1-CZ 3.33Å; D495-R506 IonicContact OD1-NE 3.39Å; D495-R506 PolarHBondContact OD1-NE 3.4Å; D495-R506 IonicContact OD1-NH2 3.15Å; D495-R506 PolarHBondContact OD1-NH2 3.35Å; D495-R506 PolarHBondContact OD2-N 3.41Å; D495-R506 IonicContact OD2-NE 3.75Å; D495-D507 WeakPolarHBondContact CB-OD1 3.49Å; D495-D507 WeakPolarHBondContact CB-OD2 3.42Å; D495-D507 PolarHBondContact N-OD1 2.99Å; D495-D507 PolarHBondContact N-OD2 2.89Å; D495-R510 IonicContact OD1-NH1 2.82Å
496	P	81.8	Confident	87.3	Confident	26 Å²	26	63.3 Å²	63.3	17%	0.169	34%	0.335	C	S	.	.	H	α-helix	trans	-57.5	-43.5	179.8	-22	26.1	0	0	0	114.2	K168 L274 G498 K499 Y500	K168-P496 WeakPolarHBondContact O-CG 3.36Å; L274-P496 HydrophobicContact CD1-CB 4.08Å; L274-P496 HydrophobicContact CD1-CG 4.09Å; L274-P496 HydrophobicContact CD2-CB 4.32Å; P496-G498 VanDerWaalsContact C-N 3.26Å; P496-G498 PolarHBondContact O-N 2.82Å; P496-K499 WeakPolarHBondContact O-CB 3.33Å; P496-K499 PolarHBondContact O-N 3.42Å; P496-Y500 PolarHBondContact O-N 2.73Å; P496-Y500 VanDerWaalsContact O-N 3.17Å
497	A	79.2	Confident	87.2	Confident	10 Å²	10	63 Å²	63	8%	0.083	33%	0.334	C	S	.	.	H	α-helix	trans	-59.5	-44.5	177	0	0	0	0	0	109.6	F254 D495 K499 Y500 N501 L504	F254-A497 HydrophobicContact CD1-CB 4.28Å; F254-A497 HydrophobicContact CE1-CB 4.41Å; D495-A497 PolarHBondContact O-N 3.35Å; A497-K499 VanDerWaalsContact C-N 3.34Å; A497-K499 PolarHBondContact O-N 3.43Å; A497-Y500 PolarHBondContact O-N 3.14Å; A497-N501 PolarHBondContact O-N 3.33Å; A497-L504 HydrophobicContact CB-CB 4.15Å
498	G	83.7	Confident	87.4	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-57.9	-36.8	171	0	0	0	0	0	115.4	V493 D495 P496 Y500 N501 V502	V493-G498 VanDerWaalsContact CG1-C 3.42Å; D495-G498 CarbonylContact O-C 3.4Å; D495-G498 WeakPolarHBondContact O-CA 3.35Å; D495-G498 PolarHBondContact O-N 2.89Å; D495-G498 VanDerWaalsContact O-N 3.13Å; P496-G498 VanDerWaalsContact C-N 3.26Å; P496-G498 PolarHBondContact O-N 2.82Å; G498-Y500 VanDerWaalsContact C-N 3.3Å; G498-N501 VanDerWaalsContact CA-O 3.28Å; G498-N501 WeakPolarHBondContact CA-O 3.48Å; G498-N501 CarbonylContact O-C 3.58Å; G498-N501 PolarHBondContact O-N 2.83Å; G498-V502 WeakPolarHBondContact O-CA 3.29Å; G498-V502 PolarHBondContact O-N 2.79Å; G498-V502 VanDerWaalsContact O-N 3.1Å
499	K	83.5	Confident	87.7	Confident	120 Å²	120	55.5 Å²	55.5	52%	0.522	30%	0.295	S	S	.	.	H	α-helix	trans	-68.2	-31.9	178.8	-76.9	171	173.9	150	0	112	V493 Q494 D495 P496 A497	V493-K499 HydrophobicContact CG1-CG 4.24Å; Q494-K499 VanDerWaalsContact O-CE 3.28Å; Q494-K499 WeakPolarHBondContact O-CE 3.46Å; Q494-K499 PolarHBondContact O-NZ 3.01Å; D495-K499 WeakPolarHBondContact O-CG 3.47Å; D495-K499 PolarHBondContact O-N 3Å; P496-K499 WeakPolarHBondContact O-CB 3.33Å; P496-K499 PolarHBondContact O-N 3.42Å; A497-K499 VanDerWaalsContact C-N 3.34Å; A497-K499 PolarHBondContact O-N 3.43Å
500	Y	76.1	Confident	88.2	Confident	162 Å²	162	52 Å²	52	64%	0.635	27%	0.274	S	S	*	.	H	α-helix	trans	-76.3	-49.1	170.8	-178	-101.5	0	0	0	111.1	P496 A497 G498	P496-Y500 PolarHBondContact O-N 2.73Å; P496-Y500 VanDerWaalsContact O-N 3.17Å; A497-Y500 PolarHBondContact O-N 3.14Å; G498-Y500 VanDerWaalsContact C-N 3.3Å
501	N	80.2	Confident	88.7	Confident	70 Å²	70	46.1 Å²	46.1	37%	0.374	25%	0.246	S	C	.	.			trans	-144.8	116.1	176.7	179.9	-0.2	0	0	0	110.5	A497 G498 S503 L504	A497-N501 PolarHBondContact O-N 3.33Å; G498-N501 VanDerWaalsContact CA-O 3.28Å; G498-N501 WeakPolarHBondContact CA-O 3.48Å; G498-N501 CarbonylContact O-C 3.58Å; G498-N501 PolarHBondContact O-N 2.83Å; N501-S503 VanDerWaalsContact CG-OG 3.28Å; N501-S503 PolarHBondContact ND2-OG 2.84Å; N501-S503 VanDerWaalsContact ND2-OG 3.09Å; N501-S503 PolarHBondContact O-N 3.3Å; N501-S503 VanDerWaalsContact O-N 3.08Å; N501-S503 PolarHBondContact OD1-N 3.42Å; N501-S503 VanDerWaalsContact OD1-N 3.12Å; N501-S503 PolarHBondContact OD1-OG 2.87Å; N501-L504 HydrophobicContact CB-CD1 3.99Å; N501-L504 HydrophobicContact CB-CG 4.07Å; N501-L504 WeakPolarHBondContact O-CB 3.34Å; N501-L504 PolarHBondContact O-N 2.85Å
502	V	84.1	Confident	89.1	Confident	51 Å²	51	40.8 Å²	40.8	31%	0.309	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-56.3	-31.5	-176.8	178.4	0	0	0	0	113	Q490 V493 G498 L504 S505	Q490-V502 VanDerWaalsContact NE2-CG2 3.32Å; V493-V502 HydrophobicContact CG2-CG1 4.28Å; V493-V502 HydrophobicContact CG2-CG2 4.21Å; G498-V502 WeakPolarHBondContact O-CA 3.29Å; G498-V502 PolarHBondContact O-N 2.79Å; G498-V502 VanDerWaalsContact O-N 3.1Å; V502-L504 PolarHBondContact O-N 2.68Å; V502-S505 WeakPolarHBondContact O-CB 3.39Å; V502-S505 PolarHBondContact O-N 3.01Å
503	S	82.9	Confident	89.5	Confident	97 Å²	97	37.3 Å²	37.3	68%	0.678	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-67.2	-17.6	178.6	70.3	0	0	0	0	113.5	N501	N501-S503 VanDerWaalsContact CG-OG 3.28Å; N501-S503 PolarHBondContact ND2-OG 2.84Å; N501-S503 VanDerWaalsContact ND2-OG 3.09Å; N501-S503 PolarHBondContact O-N 3.3Å; N501-S503 VanDerWaalsContact O-N 3.08Å; N501-S503 PolarHBondContact OD1-N 3.42Å; N501-S503 VanDerWaalsContact OD1-N 3.12Å; N501-S503 PolarHBondContact OD1-OG 2.87Å
504	L	84.5	Confident	89.9	Confident	92 Å²	92	36.9 Å²	36.9	48%	0.482	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-94.1	0.2	175.6	-56.1	179.8	0	0	0	112.4	A497 N501 V502 R506	A497-L504 HydrophobicContact CB-CB 4.15Å; N501-L504 HydrophobicContact CB-CD1 3.99Å; N501-L504 HydrophobicContact CB-CG 4.07Å; N501-L504 WeakPolarHBondContact O-CB 3.34Å; N501-L504 PolarHBondContact O-N 2.85Å; V502-L504 PolarHBondContact O-N 2.68Å; L504-R506 PolarHBondContact O-N 2.7Å
505	S	92.2	Very high	90.2	Very high	14 Å²	14	33.9 Å²	33.9	10%	0.098	18%	0.175	C	C	.	.			trans	-67.4	128.9	-178.8	-173.4	0	0	0	0	111.4	D495 V502 D507 P508	D495-S505 VanDerWaalsContact OD2-CA 3.31Å; D495-S505 WeakPolarHBondContact OD2-CA 3.28Å; V502-S505 WeakPolarHBondContact O-CB 3.39Å; V502-S505 PolarHBondContact O-N 3.01Å; S505-D507 PolarHBondContact OG-N 2.8Å; S505-D507 PolarHBondContact OG-OD2 3.14Å; S505-P508 WeakPolarHBondContact O-CD 3.4Å
506	R	95.3	Very high	90.6	Very high	28 Å²	28	34.9 Å²	34.9	11%	0.106	18%	0.181	C	C	.	.			trans	-92.2	-0.3	173	-59.3	168.8	-67.7	168.4	0.1	113.6	D169 D446 D495 L504 P508 E509 R510	D169-R506 IonicContact OD1-CZ 3.59Å; D169-R506 IonicContact OD1-NH1 3.31Å; D169-R506 IonicContact OD1-NH2 2.88Å; D169-R506 PolarHBondContact OD1-NH2 2.88Å; D446-R506 WeakPolarHBondContact OD1-CD 3.44Å; D446-R506 IonicContact OD1-CZ 3.73Å; D446-R506 IonicContact OD1-NE 2.65Å; D446-R506 IonicContact OD1-NH1 3.43Å; D446-R506 PolarHBondContact OD1-NH1 3.24Å; D495-R506 IonicContact OD1-CZ 3.33Å; D495-R506 IonicContact OD1-NE 3.39Å; D495-R506 PolarHBondContact OD1-NE 3.4Å; D495-R506 IonicContact OD1-NH2 3.15Å; D495-R506 PolarHBondContact OD1-NH2 3.35Å; D495-R506 PolarHBondContact OD2-N 3.41Å; D495-R506 IonicContact OD2-NE 3.75Å; L504-R506 PolarHBondContact O-N 2.7Å; R506-P508 VanDerWaalsContact C-N 3.34Å; R506-E509 VanDerWaalsContact CA-OE1 3.23Å; R506-E509 WeakPolarHBondContact CA-OE1 3.42Å; R506-E509 WeakPolarHBondContact CB-OE1 3.42Å; R506-E509 VanDerWaalsContact O-CG 3.28Å; R506-E509 WeakPolarHBondContact O-CG 3.37Å; R506-R510 VanDerWaalsContact O-CD 3.31Å; R506-R510 WeakPolarHBondContact O-CD 3.49Å; R506-R510 VanDerWaalsContact O-CG 3.27Å; R506-R510 WeakPolarHBondContact O-CG 3.3Å
507	D	96.4	Very high	91.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-36.2	177.8	-68.9	-37	0	0	0	113.6	I488 Q494 D495 S505 E509 R510 L532	I488-D507 VanDerWaalsContact CD1-C 3.45Å; I488-D507 HydrophobicContact CD1-CB 3.14Å; Q494-D507 PolarHBondContact N-OD2 3.24Å; D495-D507 WeakPolarHBondContact CB-OD1 3.49Å; D495-D507 WeakPolarHBondContact CB-OD2 3.42Å; D495-D507 PolarHBondContact N-OD1 2.99Å; D495-D507 PolarHBondContact N-OD2 2.89Å; S505-D507 PolarHBondContact OG-N 2.8Å; S505-D507 PolarHBondContact OG-OD2 3.14Å; D507-E509 VanDerWaalsContact C-N 3.29Å; D507-E509 PolarHBondContact O-N 3.33Å; D507-R510 PolarHBondContact O-N 2.87Å; D507-L532 HydrophobicContact CB-CD1 3.87Å; D507-L532 HydrophobicContact CB-CD2 3.92Å; D507-L532 WeakPolarHBondContact O-CD1 3.26Å
508	P	97	Very high	92.3	Very high	23 Å²	23	40.6 Å²	40.6	15%	0.149	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-56.1	-38.7	-178.1	-29.8	38.9	0	0	0	114.7	N485 I486 I488 S505 R506	N485-P508 WeakPolarHBondContact CA-O 3.32Å; N485-P508 HydrophobicContact CB-CB 3.79Å; I486-P508 PolarHBondContact N-O 3.24Å; I486-P508 VanDerWaalsContact N-O 3.11Å; I486-P508 WeakPolarHBondContact O-CB 3.26Å; I488-P508 HydrophobicContact CD1-CG 3.98Å; I488-P508 HydrophobicContact CG1-CG 4.41Å; S505-P508 WeakPolarHBondContact O-CD 3.4Å; R506-P508 VanDerWaalsContact C-N 3.34Å
509	E	96.8	Very high	92.9	Very high	6 Å²	6	44 Å²	44	3%	0.028	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-84.3	-9.8	178.1	58.4	-91.5	-145.7	0	0	113.5	R447 R449 Y476 R506 D507	R447-E509 WeakPolarHBondContact O-CB 3.39Å; R447-E509 WeakPolarHBondContact O-CG 3.49Å; R449-E509 HydrophobicContact CG-CB 3.95Å; R449-E509 VanDerWaalsContact CZ-O 3.28Å; R449-E509 PolarHBondContact NE-O 2.76Å; R449-E509 VanDerWaalsContact NE-O 3.14Å; R449-E509 PolarHBondContact NH2-O 3.39Å; Y476-E509 WeakPolarHBondContact CE1-O 3.23Å; Y476-E509 PolarHBondContact OH-O 3.35Å; R506-E509 VanDerWaalsContact CA-OE1 3.23Å; R506-E509 WeakPolarHBondContact CA-OE1 3.42Å; R506-E509 WeakPolarHBondContact CB-OE1 3.42Å; R506-E509 VanDerWaalsContact O-CG 3.28Å; R506-E509 WeakPolarHBondContact O-CG 3.37Å; D507-E509 VanDerWaalsContact C-N 3.29Å; D507-E509 PolarHBondContact O-N 3.33Å
510	R	98	Very high	93.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-98.2	12.3	-179.3	-66.7	169.7	-177.8	-172.4	-9.1	113.4	Y124 S127 H445 D446 Y477 D495 R506 D507 W531 L532	Y124-R510 HydrophobicContact CD1-CB 4.38Å; Y124-R510 HydrophobicContact CD1-CG 4.44Å; Y124-R510 HydrophobicContact CE1-CB 4.14Å; Y124-R510 HydrophobicContact CE1-CG 4.16Å; S127-R510 VanDerWaalsContact CB-O 3.3Å; S127-R510 WeakPolarHBondContact CB-O 3.34Å; S127-R510 PolarHBondContact OG-O 3.25Å; H445-R510 PolarHBondContact CD2-NH2 3.22Å; H445-R510 VanDerWaalsContact O-CZ 3.29Å; H445-R510 PolarHBondContact O-NE 3.12Å; H445-R510 PolarHBondContact O-NH2 3.45Å; D446-R510 IonicContact OD1-NH2 2.69Å; D446-R510 PolarHBondContact OD1-NH2 2.89Å; Y477-R510 VanDerWaalsContact OH-C 3.27Å; Y477-R510 PolarHBondContact OH-O 3.46Å; D495-R510 IonicContact OD1-NH1 2.82Å; R506-R510 VanDerWaalsContact O-CD 3.31Å; R506-R510 WeakPolarHBondContact O-CD 3.49Å; R506-R510 VanDerWaalsContact O-CG 3.27Å; R506-R510 WeakPolarHBondContact O-CG 3.3Å; D507-R510 PolarHBondContact O-N 2.87Å; R510-W531 HydrophobicContact CB-CH2 4.06Å; R510-W531 HydrophobicContact CB-CZ2 4.14Å; R510-W531 WeakPolarHBondContact O-CZ2 3.41Å; R510-L532 HydrophobicContact CB-CD1 4.08Å
511	S	98	Very high	94.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-59.4	151	180	68.1	0	0	0	0	113.7	Y477 M483 I486	Y477-S511 PolarHBondContact OH-O 3.08Å; M483-S511 WeakPolarHBondContact CE-OG 3.42Å; I486-S511 VanDerWaalsContact CG2-CB 3.47Å
512	P	98.6	Very high	95.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-54	143.6	178.3	-25.1	34.1	0	0	0	114.3	S127 M483 F523 T530 L532 P533 V534	S127-P512 CarbonylContact O-C 3.54Å; S127-P512 WeakPolarHBondContact O-CA 3.01Å; M483-P512 WeakPolarHBondContact CE-O 3.21Å; P512-F523 HydrophobicContact CB-CB 4.03Å; P512-F523 HydrophobicContact CB-CD1 3.96Å; P512-F523 HydrophobicContact CB-CD2 3.77Å; P512-F523 HydrophobicContact CB-CE1 4.32Å; P512-F523 HydrophobicContact CB-CE2 4.16Å; P512-F523 HydrophobicContact CB-CG 3.64Å; P512-F523 HydrophobicContact CB-CZ 4.4Å; P512-F523 HydrophobicContact CG-CD1 4.34Å; P512-F523 HydrophobicContact CG-CE1 4.38Å; P512-F523 HydrophobicContact CG-CG 4.49Å; P512-T530 HydrophobicContact CG-CG2 4.45Å; P512-L532 WeakPolarHBondContact CD-O 3.36Å; P512-L532 WeakPolarHBondContact CG-O 3.42Å; P512-P533 WeakPolarHBondContact CD-O 3.35Å; P512-V534 HydrophobicContact CB-CG2 4.13Å; P512-V534 HydrophobicContact CG-CG2 4.14Å
513	M	98.8	Very high	96.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-62.5	141.4	177.6	-177.9	55	173.1	0	0	111.6	S127 F128 Y477 E480 I481 M483 W515 V543	S127-M513 PolarHBondContact O-N 3.1Å; F128-M513 WeakPolarHBondContact O-CB 3.2Å; Y477-M513 HydrophobicContact CD2-CB 3.9Å; Y477-M513 HydrophobicContact CD2-CG 4.26Å; Y477-M513 HydrophobicContact CD2-SD 3.83Å; Y477-M513 HydrophobicContact CE2-CB 3.99Å; E480-M513 VanDerWaalsContact OE1-CE 3.22Å; E480-M513 WeakPolarHBondContact OE1-CE 3.41Å; I481-M513 HydrophobicContact CD1-CE 3.84Å; I481-M513 HydrophobicContact CD1-SD 4.04Å; I481-M513 HydrophobicContact CG1-CE 4.36Å; M483-M513 HydrophobicContact SD-SD 3.57Å; M513-W515 HydrophobicContact CB-CZ2 4.39Å; M513-W515 HydrophobicContact CG-CD2 4.09Å; M513-W515 HydrophobicContact CG-CH2 4.31Å; M513-W515 HydrophobicContact CG-CZ2 3.69Å; M513-V543 HydrophobicContact CE-CG2 3.66Å
514	Q	98.8	Very high	96.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.113	C	C	.	.			trans	-99.7	90.8	-174.9	-67.3	162.1	-143	0	0	111	I481 M483 A521 V534 V541 N542 V543	I481-Q514 HydrophobicContact CD1-CB 4.07Å; M483-Q514 HydrophobicContact CE-CG 4.42Å; Q514-A521 HydrophobicContact CB-CB 4.07Å; Q514-A521 HydrophobicContact CG-CB 4.04Å; Q514-V534 HydrophobicContact CG-CG1 4.24Å; Q514-V541 WeakPolarHBondContact CB-O 3.15Å; Q514-V541 PolarHBondContact NE2-O 2.85Å; Q514-N542 HydrophobicContact CB-CB 4.22Å; Q514-N542 VanDerWaalsContact O-CA 3.25Å; Q514-N542 WeakPolarHBondContact O-CA 3.37Å; Q514-N542 WeakPolarHBondContact O-CB 3.48Å; Q514-V543 PolarHBondContact O-N 3.04Å
515	W	98.8	Very high	97.4	Very high	12 Å²	12	20.7 Å²	20.7	5%	0.045	11%	0.111	C	C	.	.			trans	-82	-46.8	-175	-65.4	104.5	0	0	0	113.8	F128 K145 H148 M513 A521 V543 E544	F128-W515 HydrophobicContact CD1-CZ2 4.19Å; F128-W515 HydrophobicContact CD2-CZ2 4.23Å; F128-W515 HydrophobicContact CE1-CH2 4.06Å; F128-W515 AromaticContact CE1-CZ2 3.85Å; F128-W515 HydrophobicContact CE1-CZ2 3.85Å; F128-W515 HydrophobicContact CE2-CH2 4Å; F128-W515 AromaticContact CE2-CZ2 3.86Å; F128-W515 HydrophobicContact CE2-CZ2 3.86Å; F128-W515 HydrophobicContact CG-CZ2 4.4Å; F128-W515 AromaticContact CZ-CH2 3.6Å; F128-W515 HydrophobicContact CZ-CH2 3.6Å; F128-W515 AromaticContact CZ-CZ2 3.67Å; F128-W515 HydrophobicContact CZ-CZ2 3.67Å; F128-W515 PolarHBondContact O-NE1 3.11Å; K145-W515 HydrophobicContact CB-CH2 3.9Å; K145-W515 HydrophobicContact CB-CZ2 4.1Å; K145-W515 HydrophobicContact CD-CD2 4.19Å; K145-W515 HydrophobicContact CD-CE3 4.1Å; K145-W515 HydrophobicContact CD-CH2 3.94Å; K145-W515 HydrophobicContact CD-CZ2 4.02Å; K145-W515 HydrophobicContact CD-CZ3 3.98Å; K145-W515 HydrophobicContact CG-CH2 3.83Å; K145-W515 HydrophobicContact CG-CZ2 3.66Å; K145-W515 HydrophobicContact CG-CZ3 4.39Å; H148-W515 HydrophobicContact CB-CH2 4.14Å; H148-W515 HydrophobicContact CB-CZ3 3.99Å; H148-W515 AromaticContact CD2-CH2 3.71Å; H148-W515 AromaticContact CD2-CZ3 3.81Å; H148-W515 AromaticContact CG-CH2 3.87Å; H148-W515 AromaticContact CG-CZ3 3.61Å; H148-W515 AromaticContact ND1-CZ3 3.78Å; M513-W515 HydrophobicContact CB-CZ2 4.39Å; M513-W515 HydrophobicContact CG-CD2 4.09Å; M513-W515 HydrophobicContact CG-CH2 4.31Å; M513-W515 HydrophobicContact CG-CZ2 3.69Å; W515-A521 WeakPolarHBondContact CA-O 3.35Å; W515-A521 WeakPolarHBondContact CB-O 3.23Å; W515-A521 PolarHBondContact N-O 3.1Å; W515-V543 HydrophobicContact CE3-CB 4.22Å; W515-V543 HydrophobicContact CE3-CG1 4.44Å; W515-V543 HydrophobicContact CE3-CG2 3.89Å; W515-V543 HydrophobicContact CZ3-CG2 4.16Å; W515-V543 WeakPolarHBondContact O-CB 2.69Å; W515-V543 PolarHBondContact O-N 2.83Å; W515-E544 PolarHBondContact O-N 3.32Å
516	N	98.5	Very high	97.6	Very high	22 Å²	22	25.9 Å²	25.9	12%	0.118	13%	0.133	C	C	.	.	S	Bend	trans	-150	-175.6	-177.5	64.8	19.9	0	0	0	111.1	E518 A521 G522 E544	N516-E518 VanDerWaalsContact C-N 3.3Å; N516-E518 PolarHBondContact ND2-OE2 2.66Å; N516-E518 VanDerWaalsContact ND2-OE2 3.07Å; N516-E518 VanDerWaalsContact OD1-CB 3.25Å; N516-E518 WeakPolarHBondContact OD1-CB 3.49Å; N516-E518 PolarHBondContact OD1-N 3.12Å; N516-A521 PolarHBondContact N-O 3.2Å; N516-A521 CarbonylContact O-C 3.39Å; N516-A521 WeakPolarHBondContact O-CA 3.24Å; N516-G522 WeakPolarHBondContact OD1-CA 3.48Å; N516-G522 PolarHBondContact OD1-N 2.94Å; N516-G522 VanDerWaalsContact OD1-N 3.09Å; N516-E544 HydrophobicContact CB-CB 3.87Å; N516-E544 HydrophobicContact CB-CG 4.49Å
517	S	98.1	Very high	97.6	Very high	46 Å²	46	26.7 Å²	26.7	32%	0.322	14%	0.141	S	C	.	.	S	Bend	trans	-88	7.5	178.6	-56.6	0	0	0	0	113.7	E539 N542	S517-E539 PolarHBondContact OG-O 3.16Å; S517-N542 PolarHBondContact OG-ND2 3.31Å
518	E	97.4	Very high	97.4	Very high	109 Å²	109	32.9 Å²	32.9	51%	0.509	18%	0.175	S	C	.	.	S	Bend	trans	-74	177.1	174.7	-57.6	-176.4	139.4	0	0	111.1	N516 N520 A521 T525 Y538	N516-E518 VanDerWaalsContact C-N 3.3Å; N516-E518 PolarHBondContact ND2-OE2 2.66Å; N516-E518 VanDerWaalsContact ND2-OE2 3.07Å; N516-E518 VanDerWaalsContact OD1-CB 3.25Å; N516-E518 WeakPolarHBondContact OD1-CB 3.49Å; N516-E518 PolarHBondContact OD1-N 3.12Å; E518-N520 PolarHBondContact O-N 3.42Å; E518-A521 WeakPolarHBondContact O-CA 3.38Å; E518-A521 PolarHBondContact O-N 3.41Å; E518-T525 HydrophobicContact CB-CG2 4.2Å; E518-T525 WeakPolarHBondContact OE2-CG2 3.24Å; E518-Y538 WeakPolarHBondContact O-CE2 3.3Å
519	K	97.3	Very high	97.3	Very high	73 Å²	73	38.7 Å²	38.7	32%	0.317	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-50.4	138.1	177	177.1	172.1	141.2	-179	0	111.9	A521 G522 N524 T527 N528	K519-A521 PolarHBondContact O-N 3.29Å; K519-A521 VanDerWaalsContact O-N 3.16Å; K519-G522 PolarHBondContact O-N 3.15Å; K519-N524 VanDerWaalsContact O-O 3.13Å; K519-T527 WeakPolarHBondContact CE-O 3.34Å; K519-T527 PolarHBondContact NZ-O 3.25Å; K519-N528 WeakPolarHBondContact CD-OD1 3.4Å; K519-N528 WeakPolarHBondContact CE-OD1 3.43Å; K519-N528 PolarHBondContact NZ-OD1 3.32Å
520	N	97.8	Very high	97.3	Very high	23 Å²	23	40.2 Å²	40.2	12%	0.123	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	50.3	31.4	-173.2	-47	-45.2	0	0	0	113.4	E518 G522 F523 N524 T527 T530 V534	E518-N520 PolarHBondContact O-N 3.42Å; N520-G522 PolarHBondContact O-N 3.48Å; N520-F523 WeakPolarHBondContact O-CB 3.02Å; N520-F523 PolarHBondContact O-N 3.2Å; N520-N524 WeakPolarHBondContact CB-O 3.44Å; N520-N524 PolarHBondContact ND2-O 3.38Å; N520-N524 PolarHBondContact ND2-OD1 2.97Å; N520-T527 PolarHBondContact ND2-O 3.34Å; N520-T530 HydrophobicContact CB-CG2 3.9Å; N520-V534 HydrophobicContact CB-CG2 4.16Å
521	A	98.3	Very high	97.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	55.2	27.6	-174.2	0	0	0	0	0	115.1	Q514 W515 N516 E518 K519 F523 V534 Y538	Q514-A521 HydrophobicContact CB-CB 4.07Å; Q514-A521 HydrophobicContact CG-CB 4.04Å; W515-A521 WeakPolarHBondContact CA-O 3.35Å; W515-A521 WeakPolarHBondContact CB-O 3.23Å; W515-A521 PolarHBondContact N-O 3.1Å; N516-A521 PolarHBondContact N-O 3.2Å; N516-A521 CarbonylContact O-C 3.39Å; N516-A521 WeakPolarHBondContact O-CA 3.24Å; E518-A521 WeakPolarHBondContact O-CA 3.38Å; E518-A521 PolarHBondContact O-N 3.41Å; K519-A521 PolarHBondContact O-N 3.29Å; K519-A521 VanDerWaalsContact O-N 3.16Å; A521-F523 PolarHBondContact O-N 2.96Å; A521-V534 HydrophobicContact CB-CG1 3.74Å; A521-Y538 HydrophobicContact CB-CD1 4.5Å; A521-Y538 HydrophobicContact CB-CD2 3.47Å; A521-Y538 VanDerWaalsContact CB-CD2 3.47Å; A521-Y538 HydrophobicContact CB-CE2 4.3Å; A521-Y538 HydrophobicContact CB-CG 3.61Å
522	G	98.1	Very high	97.2	Very high	6 Å²	6	41.3 Å²	41.3	6%	0.062	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	72.8	5.7	-176.9	0	0	0	0	0	114.5	K129 N516 K519 N520	K129-G522 WeakPolarHBondContact CE-O 3.16Å; N516-G522 WeakPolarHBondContact OD1-CA 3.48Å; N516-G522 PolarHBondContact OD1-N 2.94Å; N516-G522 VanDerWaalsContact OD1-N 3.09Å; K519-G522 PolarHBondContact O-N 3.15Å; N520-G522 PolarHBondContact O-N 3.48Å
523	F	98.6	Very high	97.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-58.2	-49.5	169.3	171	-104.7	0	0	0	110.4	K129 D130 P512 N520 A521 T530	K129-F523 WeakPolarHBondContact CD-O 3.14Å; K129-F523 PolarHBondContact NZ-O 2.95Å; D130-F523 HydrophobicContact CB-CD1 4.03Å; D130-F523 HydrophobicContact CB-CD2 4.46Å; D130-F523 HydrophobicContact CB-CE1 3.58Å; D130-F523 HydrophobicContact CB-CE2 4.03Å; D130-F523 HydrophobicContact CB-CG 4.47Å; D130-F523 HydrophobicContact CB-CZ 3.6Å; D130-F523 PolarHBondContact N-O 2.75Å; D130-F523 VanDerWaalsContact N-O 3.12Å; D130-F523 VanDerWaalsContact O-O 3.09Å; P512-F523 HydrophobicContact CB-CB 4.03Å; P512-F523 HydrophobicContact CB-CD1 3.96Å; P512-F523 HydrophobicContact CB-CD2 3.77Å; P512-F523 HydrophobicContact CB-CE1 4.32Å; P512-F523 HydrophobicContact CB-CE2 4.16Å; P512-F523 HydrophobicContact CB-CG 3.64Å; P512-F523 HydrophobicContact CB-CZ 4.4Å; P512-F523 HydrophobicContact CG-CD1 4.34Å; P512-F523 HydrophobicContact CG-CE1 4.38Å; P512-F523 HydrophobicContact CG-CG 4.49Å; N520-F523 WeakPolarHBondContact O-CB 3.02Å; N520-F523 PolarHBondContact O-N 3.2Å; A521-F523 PolarHBondContact O-N 2.96Å; F523-T530 HydrophobicContact CD1-CG2 3.79Å; F523-T530 HydrophobicContact CE1-CG2 4.08Å
524	N	97.4	Very high	97	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.23	C	C	.	.			trans	-145.5	146.6	157	73.8	74.9	0	0	0	110	D130 K519 N520 T527 K529	D130-N524 HydrophobicContact CB-CB 3.9Å; D130-N524 VanDerWaalsContact OD2-CB 3.23Å; D130-N524 WeakPolarHBondContact OD2-CB 3.13Å; D130-N524 VanDerWaalsContact OD2-CG 3.22Å; D130-N524 PolarHBondContact OD2-ND2 3.05Å; K519-N524 VanDerWaalsContact O-O 3.13Å; N520-N524 WeakPolarHBondContact CB-O 3.44Å; N520-N524 PolarHBondContact ND2-O 3.38Å; N520-N524 PolarHBondContact ND2-OD1 2.97Å; N524-T527 PolarHBondContact OD1-N 3.29Å; N524-T527 PolarHBondContact OD1-O 2.94Å; N524-K529 PolarHBondContact ND2-O 3.32Å
525	T	95.7	Very high	97	Very high	72 Å²	72	45.1 Å²	45.1	44%	0.442	23%	0.234	S	C	.	.	S	Bend	trans	-108.6	-12.3	177.6	54.8	0	0	0	0	112.5	E518	E518-T525 HydrophobicContact CB-CG2 4.2Å; E518-T525 WeakPolarHBondContact OE2-CG2 3.24Å
526	Q	95.5	Very high	96.9	Very high	123 Å²	123	49.6 Å²	49.6	58%	0.575	27%	0.265	S	S	*	.	S	Bend	trans	-72.2	-39.9	-173.5	-59.4	-176.4	63.5	0	0	112.3	S131	S131-Q526 PolarHBondContact O-NE2 3.36Å
527	T	95.7	Very high	96.8	Very high	44 Å²	44	50.1 Å²	50.1	27%	0.27	27%	0.27	S	S	.	.			trans	-133.5	162.1	-175.2	80	0	0	0	0	112	G133 K519 N520 N524 K529	G133-T527 WeakPolarHBondContact O-CB 3.4Å; G133-T527 WeakPolarHBondContact O-CG2 3.18Å; G133-T527 PolarHBondContact O-OG1 3.34Å; K519-T527 WeakPolarHBondContact CE-O 3.34Å; K519-T527 PolarHBondContact NZ-O 3.25Å; N520-T527 PolarHBondContact ND2-O 3.34Å; N524-T527 PolarHBondContact OD1-N 3.29Å; N524-T527 PolarHBondContact OD1-O 2.94Å; T527-K529 PolarHBondContact O-N 3.22Å; T527-K529 PolarHBondContact OG1-N 2.86Å
528	N	93.4	Very high	96.8	Very high	131 Å²	131	50.1 Å²	50.1	70%	0.701	26%	0.263	S	S	*	.	S	Bend	trans	-81.8	9.6	174.4	-71.7	-16.7	0	0	0	112	K519	K519-N528 WeakPolarHBondContact CD-OD1 3.4Å; K519-N528 WeakPolarHBondContact CE-OD1 3.43Å; K519-N528 PolarHBondContact NZ-OD1 3.32Å
529	K	94	Very high	96.8	Very high	144 Å²	144	50.7 Å²	50.7	63%	0.626	27%	0.266	S	S	*	.			trans	-94.1	136	-173.8	-64.7	-176.7	178.2	-179.8	0	109.6	G135 N524 T527	G135-K529 VanDerWaalsContact CA-O 3.27Å; G135-K529 WeakPolarHBondContact CA-O 3.31Å; N524-K529 PolarHBondContact ND2-O 3.32Å; T527-K529 PolarHBondContact O-N 3.22Å; T527-K529 PolarHBondContact OG1-N 2.86Å
530	T	96.9	Very high	96.7	Very high	38 Å²	38	51.9 Å²	51.9	23%	0.233	28%	0.279	C	S	.	.			trans	-143.3	141.9	167.2	46.7	0	0	0	0	106.7	G135 P512 N520 F523 L532 V534	G135-T530 CarbonylContact O-C 3.55Å; G135-T530 WeakPolarHBondContact O-CA 3.39Å; P512-T530 HydrophobicContact CG-CG2 4.45Å; N520-T530 HydrophobicContact CB-CG2 3.9Å; F523-T530 HydrophobicContact CD1-CG2 3.79Å; F523-T530 HydrophobicContact CE1-CG2 4.08Å; T530-L532 WeakPolarHBondContact CB-O 3.5Å; T530-L532 PolarHBondContact O-N 3.05Å; T530-L532 PolarHBondContact OG1-O 3.23Å; T530-L532 VanDerWaalsContact OG1-O 3.06Å; T530-V534 HydrophobicContact CG2-CG2 4.23Å
531	W	96.4	Very high	96.8	Very high	22 Å²	22	51.8 Å²	51.8	8%	0.083	28%	0.28	C	S	.	.	S	Bend	trans	-68.2	-30	-178.4	78.8	-80.3	0	0	0	112.1	Y124 R126 S127 G135 V136 F170 Q494 R510	Y124-W531 HydrophobicContact CD1-CZ2 4.39Å; Y124-W531 AromaticContact CE1-CH2 3.96Å; Y124-W531 HydrophobicContact CE1-CH2 3.96Å; Y124-W531 AromaticContact CE1-CZ2 3.72Å; Y124-W531 HydrophobicContact CE1-CZ2 3.72Å; R126-W531 HydrophobicContact CB-CZ2 4.23Å; R126-W531 HydrophobicContact CG-CD2 3.98Å; R126-W531 HydrophobicContact CG-CG 4.17Å; R126-W531 HydrophobicContact CG-CZ2 4.21Å; R126-W531 VanDerWaalsContact CZ-CE3 3.45Å; R126-W531 VanDerWaalsContact O-CD1 3.3Å; R126-W531 PolarHBondContact O-NE1 2.83Å; S127-W531 VanDerWaalsContact OG-CE2 3.31Å; S127-W531 WeakPolarHBondContact OG-CZ2 3.34Å; S127-W531 PolarHBondContact OG-NE1 2.87Å; G135-W531 PolarHBondContact O-N 3.38Å; V136-W531 HydrophobicContact CG2-CB 3.72Å; V136-W531 HydrophobicContact CG2-CG 4.15Å; F170-W531 HydrophobicContact CE2-CH2 4.45Å; F170-W531 HydrophobicContact CE2-CZ3 4.15Å; F170-W531 HydrophobicContact CZ-CZ3 4.09Å; Q494-W531 HydrophobicContact CB-CZ3 4.38Å; Q494-W531 HydrophobicContact CG-CE3 4.5Å; R510-W531 HydrophobicContact CB-CH2 4.06Å; R510-W531 HydrophobicContact CB-CZ2 4.14Å; R510-W531 WeakPolarHBondContact O-CZ2 3.41Å
532	L	97.2	Very high	96.8	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	28%	0.28	C	S	.	.	S	Bend	trans	-127.4	149.1	166	-76.9	179	0	0	0	110.8	I486 I488 Q494 D507 R510 P512 T530	I486-L532 HydrophobicContact CD1-CB 4.25Å; I488-L532 HydrophobicContact CD1-CD2 4.13Å; Q494-L532 HydrophobicContact CG-CD2 4.31Å; D507-L532 HydrophobicContact CB-CD1 3.87Å; D507-L532 HydrophobicContact CB-CD2 3.92Å; D507-L532 WeakPolarHBondContact O-CD1 3.26Å; R510-L532 HydrophobicContact CB-CD1 4.08Å; P512-L532 WeakPolarHBondContact CD-O 3.36Å; P512-L532 WeakPolarHBondContact CG-O 3.42Å; T530-L532 WeakPolarHBondContact CB-O 3.5Å; T530-L532 PolarHBondContact O-N 3.05Å; T530-L532 PolarHBondContact OG1-O 3.23Å; T530-L532 VanDerWaalsContact OG1-O 3.06Å
533	P	96.7	Very high	96.8	Very high	38 Å²	38	51.7 Å²	51.7	25%	0.247	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-56.6	146.4	175.6	-22.7	32.4	0	0	0	112.9	I486 P512	I486-P533 HydrophobicContact CD1-CB 4.25Å; I486-P533 HydrophobicContact CD1-CG 4.4Å; I486-P533 VanDerWaalsContact CD1-O 3.25Å; I486-P533 WeakPolarHBondContact CD1-O 3.44Å; P512-P533 WeakPolarHBondContact CD-O 3.35Å
534	V	97.4	Very high	96.8	Very high	23 Å²	23	56.6 Å²	56.6	14%	0.139	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-80.9	144.5	169.1	-176.6	0	0	0	0	109.5	P512 Q514 N520 A521 T530 Y538	P512-V534 HydrophobicContact CB-CG2 4.13Å; P512-V534 HydrophobicContact CG-CG2 4.14Å; Q514-V534 HydrophobicContact CG-CG1 4.24Å; N520-V534 HydrophobicContact CB-CG2 4.16Å; A521-V534 HydrophobicContact CB-CG1 3.74Å; T530-V534 HydrophobicContact CG2-CG2 4.23Å; V534-Y538 HydrophobicContact CG1-CD1 3.88Å; V534-Y538 HydrophobicContact CG1-CG 4.06Å
535	H	97.6	Very high	96.8	Very high	19 Å²	19	59.3 Å²	59.3	9%	0.088	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-60.7	134	177.7	-170.3	-89.7	0	0	0	111.2	E484 N485 I486 S537 Y538	E484-H535 IonicContact OE2-CE1 2.83Å; N485-H535 PolarHBondContact O-CD2 3.18Å; I486-H535 HydrophobicContact CG2-CB 3.75Å; H535-S537 PolarHBondContact CE1-OG 3.34Å; H535-S537 VanDerWaalsContact CE1-OG 3.29Å; H535-S537 WeakPolarHBondContact ND1-CB 3.37Å; H535-S537 PolarHBondContact ND1-N 3.23Å; H535-S537 VanDerWaalsContact ND1-N 3.2Å; H535-S537 PolarHBondContact O-N 2.85Å; H535-Y538 WeakPolarHBondContact O-CB 3.29Å; H535-Y538 WeakPolarHBondContact O-CD1 3.36Å; H535-Y538 PolarHBondContact O-N 3.07Å; H535-Y538 VanDerWaalsContact O-N 3.11Å
536	P	96.9	Very high	97	Very high	107 Å²	107	56.7 Å²	56.7	70%	0.695	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.7	-172.5	24.6	-35.7	0	0	0	114.4	Y538	P536-Y538 VanDerWaalsContact C-N 3.29Å; P536-Y538 PolarHBondContact O-N 3.04Å
537	S	96.2	Very high	97	Very high	32 Å²	32	54.8 Å²	54.8	22%	0.224	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	10	177.8	-50	0	0	0	0	114.4	H535 E539 T540 V541	H535-S537 PolarHBondContact CE1-OG 3.34Å; H535-S537 VanDerWaalsContact CE1-OG 3.29Å; H535-S537 WeakPolarHBondContact ND1-CB 3.37Å; H535-S537 PolarHBondContact ND1-N 3.23Å; H535-S537 VanDerWaalsContact ND1-N 3.2Å; H535-S537 PolarHBondContact O-N 2.85Å; S537-E539 PolarHBondContact O-N 3.47Å; S537-E539 VanDerWaalsContact O-N 3.08Å; S537-T540 PolarHBondContact O-N 2.93Å; S537-T540 PolarHBondContact O-OG1 3.35Å; S537-V541 PolarHBondContact O-N 2.75Å
538	Y	97.9	Very high	97.1	Very high	47 Å²	47	60.7 Å²	60.7	18%	0.184	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.7	-174.4	77	-96.7	0	0	0	114.1	E518 A521 V534 H535 P536 T540 V541 N542	E518-Y538 WeakPolarHBondContact O-CE2 3.3Å; A521-Y538 HydrophobicContact CB-CD1 4.5Å; A521-Y538 HydrophobicContact CB-CD2 3.47Å; A521-Y538 VanDerWaalsContact CB-CD2 3.47Å; A521-Y538 HydrophobicContact CB-CE2 4.3Å; A521-Y538 HydrophobicContact CB-CG 3.61Å; V534-Y538 HydrophobicContact CG1-CD1 3.88Å; V534-Y538 HydrophobicContact CG1-CG 4.06Å; H535-Y538 WeakPolarHBondContact O-CB 3.29Å; H535-Y538 WeakPolarHBondContact O-CD1 3.36Å; H535-Y538 PolarHBondContact O-N 3.07Å; H535-Y538 VanDerWaalsContact O-N 3.11Å; P536-Y538 VanDerWaalsContact C-N 3.29Å; P536-Y538 PolarHBondContact O-N 3.04Å; Y538-T540 PolarHBondContact O-N 3.22Å; Y538-V541 CarbonylContact O-C 3.54Å; Y538-N542 WeakPolarHBondContact O-CB 3.44Å; Y538-N542 PolarHBondContact O-ND2 3.24Å
539	E	97.6	Very high	97.2	Very high	120 Å²	120	58.3 Å²	58.3	56%	0.561	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-22.5	176.8	-65.2	-176.1	176.7	0	0	113.6	S517 S537 N542	S517-E539 PolarHBondContact OG-O 3.16Å; S537-E539 PolarHBondContact O-N 3.47Å; S537-E539 VanDerWaalsContact O-N 3.08Å; E539-N542 PolarHBondContact O-ND2 2.63Å
540	T	96.9	Very high	97.1	Very high	98 Å²	98	60.8 Å²	60.8	60%	0.601	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	-24	-179.7	55.6	0	0	0	0	113.1	S537 Y538	S537-T540 PolarHBondContact O-N 2.93Å; S537-T540 PolarHBondContact O-OG1 3.35Å; Y538-T540 PolarHBondContact O-N 3.22Å
541	V	97.9	Very high	96.8	Very high	22 Å²	22	60.4 Å²	60.4	13%	0.133	32%	0.316	C	S	.	.	S	Bend	trans	-112.4	89.8	174.7	-177	0	0	0	0	107.6	Q514 S537 Y538	Q514-V541 WeakPolarHBondContact CB-O 3.15Å; Q514-V541 PolarHBondContact NE2-O 2.85Å; S537-V541 PolarHBondContact O-N 2.75Å; Y538-V541 CarbonylContact O-C 3.54Å
542	N	98.8	Very high	96.8	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.313	C	S	.	.	S	Bend	trans	-152.4	166.4	172.5	63.5	69.4	0	0	0	110.8	Q514 S517 Y538 E539 E544 V545 Q546	Q514-N542 HydrophobicContact CB-CB 4.22Å; Q514-N542 VanDerWaalsContact O-CA 3.25Å; Q514-N542 WeakPolarHBondContact O-CA 3.37Å; Q514-N542 WeakPolarHBondContact O-CB 3.48Å; S517-N542 PolarHBondContact OG-ND2 3.31Å; Y538-N542 WeakPolarHBondContact O-CB 3.44Å; Y538-N542 PolarHBondContact O-ND2 3.24Å; E539-N542 PolarHBondContact O-ND2 2.63Å; N542-E544 PolarHBondContact OD1-N 3.49Å; N542-E544 VanDerWaalsContact OD1-N 3.13Å; N542-V545 WeakPolarHBondContact ND2-CG2 3.31Å; N542-V545 WeakPolarHBondContact OD1-CG2 3.3Å; N542-V545 PolarHBondContact OD1-N 3.37Å; N542-Q546 WeakPolarHBondContact O-CB 3.22Å; N542-Q546 WeakPolarHBondContact O-CG 3.38Å; N542-Q546 PolarHBondContact O-N 2.02Å; N542-Q546 VanDerWaalsContact O-N 3.12Å
543	V	98.8	Very high	96.9	Very high	4 Å²	4	60.2 Å²	60.2	2%	0.024	32%	0.317	C	S	.	.	H	α-helix	trans	-59.6	-47.9	-178.6	174.8	0	0	0	0	111.7	I481 M513 Q514 W515 Q546 K547 L554	I481-V543 HydrophobicContact CD1-CG2 4.36Å; I481-V543 HydrophobicContact CG2-CG2 3.87Å; M513-V543 HydrophobicContact CE-CG2 3.66Å; Q514-V543 PolarHBondContact O-N 3.04Å; W515-V543 HydrophobicContact CE3-CB 4.22Å; W515-V543 HydrophobicContact CE3-CG1 4.44Å; W515-V543 HydrophobicContact CE3-CG2 3.89Å; W515-V543 HydrophobicContact CZ3-CG2 4.16Å; W515-V543 WeakPolarHBondContact O-CB 2.69Å; W515-V543 PolarHBondContact O-N 2.83Å; V543-Q546 PolarHBondContact O-N 3.01Å; V543-K547 HydrophobicContact CG1-CD 4.05Å; V543-K547 VanDerWaalsContact CG1-CE 3.47Å; V543-K547 HydrophobicContact CG1-CG 4.17Å; V543-K547 WeakPolarHBondContact O-CB 3.3Å; V543-K547 VanDerWaalsContact O-CG 3.29Å; V543-K547 WeakPolarHBondContact O-CG 3.18Å; V543-K547 PolarHBondContact O-N 2.77Å; V543-L554 HydrophobicContact CG1-CD2 4.15Å
544	E	98.4	Very high	96.9	Very high	103 Å²	103	58.4 Å²	58.4	48%	0.481	31%	0.306	S	S	.	.	H	α-helix	trans	-58.9	-53.8	-176.6	-175.7	176.6	-99.5	0	0	112.6	W515 N516 N542 Q546 K547	W515-E544 PolarHBondContact O-N 3.32Å; N516-E544 HydrophobicContact CB-CB 3.87Å; N516-E544 HydrophobicContact CB-CG 4.49Å; N542-E544 PolarHBondContact OD1-N 3.49Å; N542-E544 VanDerWaalsContact OD1-N 3.13Å; E544-Q546 VanDerWaalsContact C-N 3.35Å; E544-Q546 PolarHBondContact O-N 3.26Å; E544-K547 PolarHBondContact O-N 3.09Å
545	V	98.2	Very high	96.9	Very high	58 Å²	58	58.6 Å²	58.6	35%	0.352	31%	0.308	S	S	.	.	H	α-helix	trans	-62	-42.6	179	172.1	0	0	0	0	111.1	N542 K547 E548 D549	N542-V545 WeakPolarHBondContact ND2-CG2 3.31Å; N542-V545 WeakPolarHBondContact OD1-CG2 3.3Å; N542-V545 PolarHBondContact OD1-N 3.37Å; V545-K547 VanDerWaalsContact C-N 3.33Å; V545-K547 PolarHBondContact O-N 2.93Å; V545-E548 PolarHBondContact O-N 2.88Å; V545-D549 PolarHBondContact O-N 3.34Å
546	Q	98.4	Very high	96.9	Very high	16 Å²	16	58.4 Å²	58.4	8%	0.075	31%	0.307	C	S	.	.	H	α-helix	trans	-74.3	-21.5	-179.4	-71	-161.9	39.4	0	0	113.8	I481 N542 V543 E544 E548 S552 L554	I481-Q546 PolarHBondContact O-NE2 2.65Å; N542-Q546 WeakPolarHBondContact O-CB 3.22Å; N542-Q546 WeakPolarHBondContact O-CG 3.38Å; N542-Q546 PolarHBondContact O-N 2.02Å; N542-Q546 VanDerWaalsContact O-N 3.12Å; V543-Q546 PolarHBondContact O-N 3.01Å; E544-Q546 VanDerWaalsContact C-N 3.35Å; E544-Q546 PolarHBondContact O-N 3.26Å; Q546-E548 VanDerWaalsContact C-N 3.26Å; Q546-E548 PolarHBondContact O-N 2.83Å; Q546-S552 WeakPolarHBondContact O-CB 3.49Å; Q546-S552 PolarHBondContact O-OG 3.17Å; Q546-L554 HydrophobicContact CB-CB 3.74Å; Q546-L554 HydrophobicContact CB-CD2 4.08Å
547	K	96.9	Very high	97	Very high	84 Å²	84	53.3 Å²	53.3	37%	0.365	27%	0.274	S	S	.	.	H	α-helix	trans	-65.5	-31.2	172.8	-84.4	-174	-179	-168.3	0	111.6	D151 V543 E544 V545 L554	D151-K547 IonicContact OD2-NZ 3.5Å; D151-K547 PolarHBondContact OD2-NZ 3.47Å; V543-K547 HydrophobicContact CG1-CD 4.05Å; V543-K547 VanDerWaalsContact CG1-CE 3.47Å; V543-K547 HydrophobicContact CG1-CG 4.17Å; V543-K547 WeakPolarHBondContact O-CB 3.3Å; V543-K547 VanDerWaalsContact O-CG 3.29Å; V543-K547 WeakPolarHBondContact O-CG 3.18Å; V543-K547 PolarHBondContact O-N 2.77Å; E544-K547 PolarHBondContact O-N 3.09Å; V545-K547 VanDerWaalsContact C-N 3.33Å; V545-K547 PolarHBondContact O-N 2.93Å; K547-L554 HydrophobicContact CB-CD2 4.42Å; K547-L554 HydrophobicContact CG-CD2 3.58Å
548	E	95.9	Very high	97.1	Very high	167 Å²	167	55.7 Å²	55.7	78%	0.78	28%	0.278	S	S	*	.	H	α-helix	trans	-84.4	-32.8	179	-61	-170.7	163.7	0	0	112.8	V545 Q546 K550	V545-E548 PolarHBondContact O-N 2.88Å; Q546-E548 VanDerWaalsContact C-N 3.26Å; Q546-E548 PolarHBondContact O-N 2.83Å; E548-K550 PolarHBondContact O-N 3.26Å
549	D	95.8	Very high	97	Very high	82 Å²	82	57.3 Å²	57.3	44%	0.439	29%	0.286	S	S	.	.			trans	-80.6	111	178.4	176.3	19.7	0	0	0	112.4	V545 G551 S552 S555	V545-D549 PolarHBondContact O-N 3.34Å; D549-G551 PolarHBondContact O-N 3.36Å; D549-G551 WeakPolarHBondContact OD1-CA 3.42Å; D549-G551 PolarHBondContact OD1-N 2.74Å; D549-S552 WeakPolarHBondContact O-CB 3.39Å; D549-S552 PolarHBondContact O-N 2.96Å; D549-S552 VanDerWaalsContact O-N 3.11Å; D549-S552 PolarHBondContact O-OG 2.82Å; D549-S552 PolarHBondContact OD2-N 2.85Å; D549-S555 WeakPolarHBondContact O-CB 3.47Å; D549-S555 PolarHBondContact O-OG 3.08Å
550	K	92.1	Very high	97.1	Very high	195 Å²	195	51.6 Å²	51.6	85%	0.848	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-19.5	177.2	-65.1	-176.1	179.7	178.6	0	114	E548 S555	E548-K550 PolarHBondContact O-N 3.26Å; K550-S555 WeakPolarHBondContact O-CB 3.34Å
551	G	91.8	Very high	97.1	Very high	30 Å²	30	47 Å²	47	31%	0.309	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-0.9	175.5	0	0	0	0	0	113.8	R460 D549	R460-G551 PolarHBondContact NH2-O 2.97Å; D549-G551 PolarHBondContact O-N 3.36Å; D549-G551 WeakPolarHBondContact OD1-CA 3.42Å; D549-G551 PolarHBondContact OD1-N 2.74Å
552	S	96.6	Very high	97.1	Very high	2 Å²	2	48 Å²	48	1%	0.014	24%	0.239	C	C	.	.	S	Bend	trans	-67.9	164.9	-175	73.6	0	0	0	0	113.3	Q546 D549 L554 S555 Q556	Q546-S552 WeakPolarHBondContact O-CB 3.49Å; Q546-S552 PolarHBondContact O-OG 3.17Å; D549-S552 WeakPolarHBondContact O-CB 3.39Å; D549-S552 PolarHBondContact O-N 2.96Å; D549-S552 VanDerWaalsContact O-N 3.11Å; D549-S552 PolarHBondContact O-OG 2.82Å; D549-S552 PolarHBondContact OD2-N 2.85Å; S552-L554 PolarHBondContact O-N 3.14Å; S552-L554 PolarHBondContact OG-N 2.76Å; S552-S555 WeakPolarHBondContact OG-CB 3.45Å; S552-S555 PolarHBondContact OG-N 3.2Å; S552-S555 PolarHBondContact OG-OG 3.25Å; S552-Q556 WeakPolarHBondContact O-CB 3.18Å; S552-Q556 PolarHBondContact O-N 2.92Å; S552-Q556 VanDerWaalsContact O-N 3.17Å
553	V	97.6	Very high	97	Very high	17 Å²	17	48.5 Å²	48.5	10%	0.103	24%	0.242	C	C	.	.	H	α-helix	trans	-61.8	-39.6	172.6	-175.5	0	0	0	0	109.7	V459 R460 E480 Q556 Y557	V459-V553 HydrophobicContact CG1-CG1 3.7Å; V459-V553 HydrophobicContact CG1-CG2 4.42Å; R460-V553 HydrophobicContact CG-CG2 4.16Å; E480-V553 CarbonylContact O-C 3.5Å; E480-V553 VanDerWaalsContact O-C 3.26Å; E480-V553 WeakPolarHBondContact O-CG1 3.48Å; V553-Q556 WeakPolarHBondContact O-CB 3.37Å; V553-Q556 PolarHBondContact O-N 3.48Å; V553-Y557 WeakPolarHBondContact O-CB 3.47Å; V553-Y557 PolarHBondContact O-N 3.3Å
554	L	98.5	Very high	96.9	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-62.2	-48.7	178.3	-175.6	59.6	0	0	0	112.8	L152 E480 I481 V543 Q546 K547 S552 Q556 Y557 R558	L152-L554 HydrophobicContact CD2-CD1 3.51Å; E480-L554 HydrophobicContact CB-CD1 4.32Å; E480-L554 HydrophobicContact CG-CD1 3.75Å; E480-L554 WeakPolarHBondContact O-CA 3.35Å; E480-L554 PolarHBondContact O-N 3.24Å; I481-L554 HydrophobicContact CG2-CB 4.3Å; I481-L554 HydrophobicContact CG2-CD1 4.29Å; I481-L554 HydrophobicContact CG2-CD2 4.39Å; V543-L554 HydrophobicContact CG1-CD2 4.15Å; Q546-L554 HydrophobicContact CB-CB 3.74Å; Q546-L554 HydrophobicContact CB-CD2 4.08Å; K547-L554 HydrophobicContact CB-CD2 4.42Å; K547-L554 HydrophobicContact CG-CD2 3.58Å; S552-L554 PolarHBondContact O-N 3.14Å; S552-L554 PolarHBondContact OG-N 2.76Å; L554-Q556 PolarHBondContact O-N 3.16Å; L554-Y557 PolarHBondContact O-N 3.03Å; L554-R558 HydrophobicContact CD1-CG 4.45Å; L554-R558 VanDerWaalsContact O-CG 3.3Å; L554-R558 WeakPolarHBondContact O-CG 3.38Å; L554-R558 PolarHBondContact O-N 3.27Å
555	S	97.1	Very high	96.7	Very high	27 Å²	27	45.5 Å²	45.5	19%	0.189	23%	0.228	C	C	.	.	H	α-helix	trans	-59.4	-39.8	177.8	-75	0	0	0	0	111.3	D549 K550 S552 F559	D549-S555 WeakPolarHBondContact O-CB 3.47Å; D549-S555 PolarHBondContact O-OG 3.08Å; K550-S555 WeakPolarHBondContact O-CB 3.34Å; S552-S555 WeakPolarHBondContact OG-CB 3.45Å; S552-S555 PolarHBondContact OG-N 3.2Å; S552-S555 PolarHBondContact OG-OG 3.25Å; S555-F559 WeakPolarHBondContact O-CB 3.25Å; S555-F559 PolarHBondContact O-N 2.81Å
556	Q	96.8	Very high	96.5	Very high	15 Å²	15	46.7 Å²	46.7	7%	0.07	24%	0.238	C	C	.	.	H	α-helix	trans	-64.7	-48.2	175.5	-166.2	-156.9	-33.2	0	0	112.5	R460 S552 V553 L554 R558 F559 L560 M627	R460-Q556 PolarHBondContact O-NE2 3.05Å; S552-Q556 WeakPolarHBondContact O-CB 3.18Å; S552-Q556 PolarHBondContact O-N 2.92Å; S552-Q556 VanDerWaalsContact O-N 3.17Å; V553-Q556 WeakPolarHBondContact O-CB 3.37Å; V553-Q556 PolarHBondContact O-N 3.48Å; L554-Q556 PolarHBondContact O-N 3.16Å; Q556-R558 VanDerWaalsContact C-N 3.33Å; Q556-R558 PolarHBondContact O-N 2.8Å; Q556-F559 PolarHBondContact O-N 3.17Å; Q556-L560 HydrophobicContact CG-CD1 4.02Å; Q556-L560 WeakPolarHBondContact O-CG 3.35Å; Q556-L560 PolarHBondContact O-N 3.05Å; Q556-M627 HydrophobicContact CB-CE 4.44Å; Q556-M627 HydrophobicContact CG-CE 3.07Å
557	Y	98.4	Very high	96.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.2	-46.5	179.8	-175.6	-80	0	0	0	110.6	L152 I154 N463 L467 T475 E480 V553 L554 F559 L560 N561	L152-Y557 HydrophobicContact CD2-CD1 3.93Å; L152-Y557 HydrophobicContact CD2-CE1 4.26Å; I154-Y557 HydrophobicContact CD1-CE1 4.35Å; N463-Y557 HydrophobicContact CB-CD2 4.45Å; L467-Y557 HydrophobicContact CD1-CD2 3.85Å; L467-Y557 HydrophobicContact CD1-CE2 3.92Å; L467-Y557 HydrophobicContact CD1-CG 4.2Å; L467-Y557 HydrophobicContact CD2-CE2 4.47Å; L467-Y557 HydrophobicContact CG-CE2 4.49Å; T475-Y557 WeakPolarHBondContact CB-OH 3.22Å; T475-Y557 HydrophobicContact CG2-CE2 3.88Å; T475-Y557 PolarHBondContact OG1-OH 2.72Å; E480-Y557 HydrophobicContact CB-CD1 3.95Å; E480-Y557 HydrophobicContact CB-CD2 3.94Å; E480-Y557 HydrophobicContact CB-CE1 4.31Å; E480-Y557 HydrophobicContact CB-CE2 4.3Å; E480-Y557 HydrophobicContact CB-CG 3.77Å; V553-Y557 WeakPolarHBondContact O-CB 3.47Å; V553-Y557 PolarHBondContact O-N 3.3Å; L554-Y557 PolarHBondContact O-N 3.03Å; Y557-F559 PolarHBondContact O-N 3.21Å; Y557-L560 PolarHBondContact O-N 3.24Å; Y557-N561 WeakPolarHBondContact O-CB 3.43Å; Y557-N561 PolarHBondContact O-N 3.41Å
558	R	98.1	Very high	96.4	Very high	81 Å²	81	46.1 Å²	46.1	31%	0.306	24%	0.238	S	C	.	.	H	α-helix	trans	-59.1	-44.9	176	-70.4	177.1	74.6	-173.3	5.6	112.2	D151 L152 L554 Q556 S562	D151-R558 PolarHBondContact O-NE 3.23Å; D151-R558 PolarHBondContact O-NH2 2.92Å; L152-R558 HydrophobicContact CD2-CG 3.8Å; L554-R558 HydrophobicContact CD1-CG 4.45Å; L554-R558 VanDerWaalsContact O-CG 3.3Å; L554-R558 WeakPolarHBondContact O-CG 3.38Å; L554-R558 PolarHBondContact O-N 3.27Å; Q556-R558 VanDerWaalsContact C-N 3.33Å; Q556-R558 PolarHBondContact O-N 2.8Å; R558-S562 WeakPolarHBondContact O-CB 3.25Å; R558-S562 PolarHBondContact O-N 3.41Å; R558-S562 PolarHBondContact O-OG 3.31Å
559	F	97.4	Very high	96.4	Very high	81 Å²	81	38.1 Å²	38.1	36%	0.355	20%	0.201	S	C	.	.	H	α-helix	trans	-60.7	-50	177.5	176.5	-90.5	0	0	0	111.6	S555 Q556 Y557 S562 L563 L626 M627	S555-F559 WeakPolarHBondContact O-CB 3.25Å; S555-F559 PolarHBondContact O-N 2.81Å; Q556-F559 PolarHBondContact O-N 3.17Å; Y557-F559 PolarHBondContact O-N 3.21Å; F559-S562 PolarHBondContact O-N 2.84Å; F559-L563 HydrophobicContact CE1-CD2 4.34Å; F559-L563 WeakPolarHBondContact O-CB 3.35Å; F559-L563 PolarHBondContact O-N 3.32Å; F559-L626 HydrophobicContact CZ-CD1 4.46Å; F559-L626 HydrophobicContact CZ-CD2 4.25Å; F559-L626 HydrophobicContact CZ-CG 4Å; F559-M627 HydrophobicContact CD1-CB 3.97Å; F559-M627 HydrophobicContact CD1-CG 3.76Å; F559-M627 HydrophobicContact CE1-CB 3.38Å; F559-M627 HydrophobicContact CE1-CG 3.71Å; F559-M627 HydrophobicContact CZ-CB 3.92Å
560	L	98	Very high	96.5	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-63.9	-43.4	-177.8	-74.2	167.5	0	0	0	112.3	L464 L467 T468 Q556 Y557 S562 L563 R564 M627 V652	L464-L560 HydrophobicContact CB-CD1 3.99Å; L464-L560 HydrophobicContact CG-CD1 4.37Å; L464-L560 HydrophobicContact CG-CD2 4.21Å; L467-L560 HydrophobicContact CB-CB 3.98Å; L467-L560 HydrophobicContact CD1-CB 3.46Å; L467-L560 VanDerWaalsContact CD1-CB 3.46Å; L467-L560 HydrophobicContact CD1-CD1 4.17Å; L467-L560 HydrophobicContact CD1-CG 4.49Å; L467-L560 HydrophobicContact CG-CB 4.37Å; T468-L560 HydrophobicContact CG2-CD2 4.15Å; Q556-L560 HydrophobicContact CG-CD1 4.02Å; Q556-L560 WeakPolarHBondContact O-CG 3.35Å; Q556-L560 PolarHBondContact O-N 3.05Å; Y557-L560 PolarHBondContact O-N 3.24Å; L560-S562 VanDerWaalsContact C-N 3.35Å; L560-L563 PolarHBondContact O-N 2.86Å; L560-R564 WeakPolarHBondContact O-CB 3.48Å; L560-R564 PolarHBondContact O-N 2.58Å; L560-M627 HydrophobicContact CD1-CE 3.88Å; L560-M627 HydrophobicContact CD2-CE 3.88Å; L560-M627 HydrophobicContact CD2-SD 4.15Å; L560-M627 HydrophobicContact CG-CE 3.8Å; L560-V652 HydrophobicContact CD2-CG2 3.86Å
561	N	97.8	Very high	96.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-68.4	-36.6	178.2	-171.1	28.4	0	0	0	111.8	P119 L152 N153 L467 Y557 R564 Q565	P119-N561 VanDerWaalsContact CD-OD1 3.27Å; P119-N561 WeakPolarHBondContact CD-OD1 3.28Å; P119-N561 WeakPolarHBondContact CG-OD1 3.06Å; L152-N561 PolarHBondContact O-ND2 3.13Å; N153-N561 PolarHBondContact O-ND2 3.4Å; L467-N561 HydrophobicContact CD1-CB 4.36Å; L467-N561 HydrophobicContact CD2-CB 4.24Å; Y557-N561 WeakPolarHBondContact O-CB 3.43Å; Y557-N561 PolarHBondContact O-N 3.41Å; N561-R564 PolarHBondContact O-N 3.29Å; N561-Q565 PolarHBondContact ND2-NE2 3.3Å; N561-Q565 PolarHBondContact O-N 2.99Å; N561-Q565 VanDerWaalsContact O-N 3.13Å; N561-Q565 PolarHBondContact OD1-NE2 2.74Å
562	S	97.3	Very high	96.6	Very high	43 Å²	43	25.4 Å²	25.4	30%	0.301	13%	0.134	S	C	.	.	H	α-helix	trans	-61.8	-47.3	173	-56.4	0	0	0	0	111.4	N153 R558 F559 L560 R564 Q565 S566	N153-S562 PolarHBondContact ND2-OG 2.74Å; R558-S562 WeakPolarHBondContact O-CB 3.25Å; R558-S562 PolarHBondContact O-N 3.41Å; R558-S562 PolarHBondContact O-OG 3.31Å; F559-S562 PolarHBondContact O-N 2.84Å; L560-S562 VanDerWaalsContact C-N 3.35Å; S562-R564 VanDerWaalsContact C-N 3.33Å; S562-R564 PolarHBondContact O-N 2.57Å; S562-Q565 PolarHBondContact O-N 2.91Å; S562-S566 WeakPolarHBondContact O-CB 3.45Å; S562-S566 PolarHBondContact O-N 2.84Å; S562-S566 PolarHBondContact O-OG 3.01Å; S562-S566 VanDerWaalsContact O-OG 3.1Å
563	L	97.2	Very high	96.6	Very high	12 Å²	12	25.5 Å²	25.5	6%	0.063	14%	0.135	C	C	.	.	H	α-helix	trans	-57.6	-47.3	176.9	-178.2	71.1	0	0	0	111.1	F559 L560 Q565 S566 E567 F570 Y598 L626 V652	F559-L563 HydrophobicContact CE1-CD2 4.34Å; F559-L563 WeakPolarHBondContact O-CB 3.35Å; F559-L563 PolarHBondContact O-N 3.32Å; L560-L563 PolarHBondContact O-N 2.86Å; L563-Q565 VanDerWaalsContact C-N 3.26Å; L563-Q565 PolarHBondContact O-N 3.13Å; L563-S566 PolarHBondContact O-N 3.46Å; L563-S566 PolarHBondContact O-OG 3.04Å; L563-E567 HydrophobicContact CD1-CG 3.6Å; L563-E567 HydrophobicContact CG-CG 4.23Å; L563-E567 VanDerWaalsContact O-CB 3.3Å; L563-E567 WeakPolarHBondContact O-CB 3.46Å; L563-E567 VanDerWaalsContact O-CG 3.31Å; L563-E567 WeakPolarHBondContact O-CG 3.35Å; L563-E567 PolarHBondContact O-N 3.46Å; L563-E567 VanDerWaalsContact O-N 3.11Å; L563-F570 HydrophobicContact CD2-CE2 3.71Å; L563-F570 HydrophobicContact CD2-CZ 4.05Å; L563-F570 HydrophobicContact CG-CD2 4.22Å; L563-F570 HydrophobicContact CG-CE2 3.82Å; L563-Y598 HydrophobicContact CD1-CE1 4.21Å; L563-Y598 HydrophobicContact CD2-CE1 4.47Å; L563-L626 HydrophobicContact CD1-CD2 3.76Å; L563-L626 HydrophobicContact CD2-CD2 4.06Å; L563-V652 HydrophobicContact CD2-CG1 3.86Å
564	R	96.6	Very high	96.7	Very high	1 Å²	1	26.1 Å²	26.1	0%	0.004	14%	0.136	C	C	.	.	H	α-helix	trans	-55.1	-43.2	178.6	-177	-170.2	173.4	72.4	18.8	111.9	L467 L469 G471 L560 N561 S562 F570 L571	L467-R564 WeakPolarHBondContact O-CD 3.37Å; L467-R564 PolarHBondContact O-NH1 2.9Å; L467-R564 VanDerWaalsContact O-NH1 3.1Å; L469-R564 PolarHBondContact O-NH1 2.97Å; G471-R564 VanDerWaalsContact O-CZ 3.26Å; G471-R564 PolarHBondContact O-NH2 2.8Å; L560-R564 WeakPolarHBondContact O-CB 3.48Å; L560-R564 PolarHBondContact O-N 2.58Å; N561-R564 PolarHBondContact O-N 3.29Å; S562-R564 VanDerWaalsContact C-N 3.33Å; S562-R564 PolarHBondContact O-N 2.57Å; R564-F570 HydrophobicContact CB-CB 4.42Å; R564-F570 HydrophobicContact CG-CB 4.08Å; R564-L571 WeakPolarHBondContact O-CG 3.5Å
565	Q	94.4	Very high	96.7	Very high	42 Å²	42	26 Å²	26	20%	0.196	14%	0.135	C	C	.	.	H	α-helix	trans	-83	-21.5	-176.4	-70.5	-179	52.4	0	0	113.9	I117 N153 N561 S562 L563	I117-Q565 HydrophobicContact CG2-CG 4.42Å; N153-Q565 PolarHBondContact O-NE2 3.31Å; N561-Q565 PolarHBondContact ND2-NE2 3.3Å; N561-Q565 PolarHBondContact O-N 2.99Å; N561-Q565 VanDerWaalsContact O-N 3.13Å; N561-Q565 PolarHBondContact OD1-NE2 2.74Å; S562-Q565 PolarHBondContact O-N 2.91Å; L563-Q565 VanDerWaalsContact C-N 3.26Å; L563-Q565 PolarHBondContact O-N 3.13Å
566	S	94.9	Very high	96.7	Very high	83 Å²	83	24.8 Å²	24.8	58%	0.58	13%	0.126	S	C	*	.	H	α-helix	trans	-89.3	-19	178.6	62.2	0	0	0	0	113.9	S562 L563	S562-S566 WeakPolarHBondContact O-CB 3.45Å; S562-S566 PolarHBondContact O-N 2.84Å; S562-S566 PolarHBondContact O-OG 3.01Å; S562-S566 VanDerWaalsContact O-OG 3.1Å; L563-S566 PolarHBondContact O-N 3.46Å; L563-S566 PolarHBondContact O-OG 3.04Å
567	E	96.4	Very high	96.8	Very high	42 Å²	42	24.5 Å²	24.5	20%	0.196	13%	0.125	C	C	.	.			trans	-115.9	121.8	-168.5	-63.1	-65	174	0	0	112.5	L563 P569 F570 L571 Y598	L563-E567 HydrophobicContact CD1-CG 3.6Å; L563-E567 HydrophobicContact CG-CG 4.23Å; L563-E567 VanDerWaalsContact O-CB 3.3Å; L563-E567 WeakPolarHBondContact O-CB 3.46Å; L563-E567 VanDerWaalsContact O-CG 3.31Å; L563-E567 WeakPolarHBondContact O-CG 3.35Å; L563-E567 PolarHBondContact O-N 3.46Å; L563-E567 VanDerWaalsContact O-N 3.11Å; E567-P569 VanDerWaalsContact C-CD 3.46Å; E567-F570 HydrophobicContact CB-CD2 3.81Å; E567-F570 HydrophobicContact CB-CE2 4.49Å; E567-F570 HydrophobicContact CG-CD2 4.49Å; E567-F570 PolarHBondContact O-N 3.08Å; E567-F570 VanDerWaalsContact O-N 3.08Å; E567-L571 PolarHBondContact O-N 3.4Å; E567-Y598 HydrophobicContact CB-CE2 4.37Å; E567-Y598 HydrophobicContact CG-CE2 4.42Å; E567-Y598 VanDerWaalsContact CG-OH 3.31Å; E567-Y598 WeakPolarHBondContact CG-OH 3.44Å; E567-Y598 PolarHBondContact OE1-OH 2.98Å; E567-Y598 PolarHBondContact OE2-OH 3.11Å
568	L	95.4	Very high	96.8	Very high	46 Å²	46	25.8 Å²	25.8	24%	0.241	13%	0.133	C	C	.	.	H	α-helix	trans	-58.3	-36.3	-177.9	-65.8	175.2	0	0	0	114.5	F570 L571 R572 G573 L591 Y677 L684	L568-F570 PolarHBondContact O-N 3.03Å; L568-L571 PolarHBondContact O-N 2.84Å; L568-R572 PolarHBondContact O-N 3.15Å; L568-G573 PolarHBondContact O-N 2.99Å; L568-L591 HydrophobicContact CB-CD2 3.56Å; L568-L591 HydrophobicContact CD1-CD2 4.03Å; L568-L591 HydrophobicContact CG-CD2 4.39Å; L568-Y677 HydrophobicContact CD1-CD2 3.89Å; L568-Y677 HydrophobicContact CD1-CE2 4.08Å; L568-Y677 HydrophobicContact CD1-CG 4.37Å; L568-L684 HydrophobicContact CD2-CD1 4.49Å
569	P	96.9	Very high	96.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.8	-30.6	175.7	-27.7	37.7	0	0	0	113.8	E567 G573 R589 L591 Y598	E567-P569 VanDerWaalsContact C-CD 3.46Å; P569-G573 WeakPolarHBondContact O-CA 3.4Å; P569-G573 PolarHBondContact O-N 3.12Å; P569-G573 VanDerWaalsContact O-N 3.13Å; P569-R589 HydrophobicContact CB-CB 4.14Å; P569-R589 VanDerWaalsContact O-CZ 3.31Å; P569-R589 PolarHBondContact O-NE 3Å; P569-R589 PolarHBondContact O-NH2 2.85Å; P569-L591 HydrophobicContact CG-CB 4.39Å; P569-Y598 HydrophobicContact CB-CD2 4Å; P569-Y598 HydrophobicContact CB-CE2 4.29Å; P569-Y598 HydrophobicContact CG-CD2 4.17Å; P569-Y598 HydrophobicContact CG-CE2 4.03Å
570	F	97.1	Very high	96.7	Very high	1 Å²	1	21.6 Å²	21.6	0%	0.004	12%	0.122	C	C	.	.	H	α-helix	trans	-81.9	-35.7	176	-68.7	-72.8	0	0	0	112.5	T468 L563 R564 E567 L568 R589 Y598 I600 V652	T468-F570 HydrophobicContact CG2-CD1 4.36Å; T468-F570 HydrophobicContact CG2-CE1 3.68Å; T468-F570 HydrophobicContact CG2-CZ 4.24Å; L563-F570 HydrophobicContact CD2-CE2 3.71Å; L563-F570 HydrophobicContact CD2-CZ 4.05Å; L563-F570 HydrophobicContact CG-CD2 4.22Å; L563-F570 HydrophobicContact CG-CE2 3.82Å; R564-F570 HydrophobicContact CB-CB 4.42Å; R564-F570 HydrophobicContact CG-CB 4.08Å; E567-F570 HydrophobicContact CB-CD2 3.81Å; E567-F570 HydrophobicContact CB-CE2 4.49Å; E567-F570 HydrophobicContact CG-CD2 4.49Å; E567-F570 PolarHBondContact O-N 3.08Å; E567-F570 VanDerWaalsContact O-N 3.08Å; L568-F570 PolarHBondContact O-N 3.03Å; F570-R589 HydrophobicContact CD1-CB 4.29Å; F570-R589 HydrophobicContact CD1-CG 3.81Å; F570-R589 HydrophobicContact CE1-CB 4.19Å; F570-R589 HydrophobicContact CE1-CG 3.66Å; F570-R589 PolarHBondContact O-NH2 3.2Å; F570-Y598 HydrophobicContact CD2-CD2 4.29Å; F570-Y598 HydrophobicContact CD2-CE2 4.4Å; F570-Y598 AromaticContact CE2-CD1 3.61Å; F570-Y598 HydrophobicContact CE2-CD1 3.61Å; F570-Y598 AromaticContact CE2-CD2 3.62Å; F570-Y598 HydrophobicContact CE2-CD2 3.62Å; F570-Y598 AromaticContact CE2-CE1 3.84Å; F570-Y598 HydrophobicContact CE2-CE1 3.84Å; F570-Y598 AromaticContact CE2-CE2 3.89Å; F570-Y598 HydrophobicContact CE2-CE2 3.89Å; F570-Y598 AromaticContact CE2-CG 3.5Å; F570-Y598 HydrophobicContact CE2-CG 3.5Å; F570-Y598 VanDerWaalsContact CE2-CG 3.5Å; F570-Y598 AromaticContact CE2-CZ 4Å; F570-Y598 AromaticContact CZ-CD1 3.78Å; F570-Y598 HydrophobicContact CZ-CD1 3.78Å; F570-Y598 HydrophobicContact CZ-CD2 4.06Å; F570-Y598 HydrophobicContact CZ-CE1 4.44Å; F570-Y598 AromaticContact CZ-CG 3.56Å; F570-Y598 HydrophobicContact CZ-CG 3.56Å; F570-I600 HydrophobicContact CE1-CD1 4.23Å; F570-I600 HydrophobicContact CZ-CD1 4.23Å; F570-V652 HydrophobicContact CZ-CG1 4.46Å
571	L	93.4	Very high	96.7	Very high	24 Å²	24	23.5 Å²	23.5	13%	0.126	13%	0.132	C	C	.	.	H	α-helix	trans	-74.3	-42.9	178.8	-71.7	178	0	0	0	114.2	L112 I117 W437 R564 E567 L568	L112-L571 HydrophobicContact CD1-CB 4.29Å; I117-L571 HydrophobicContact CG2-CD2 4.06Å; W437-L571 VanDerWaalsContact CH2-O 3.3Å; W437-L571 WeakPolarHBondContact CH2-O 3.23Å; R564-L571 WeakPolarHBondContact O-CG 3.5Å; E567-L571 PolarHBondContact O-N 3.4Å; L568-L571 PolarHBondContact O-N 2.84Å
572	R	93.8	Very high	96.6	Very high	14 Å²	14	26.8 Å²	26.8	5%	0.053	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.7	-8.6	-173.3	-75.3	-169.1	177	-110.9	0.4	114.5	P110 C111 L112 L568 E673	P110-R572 PolarHBondContact O-NH2 3.04Å; C111-R572 VanDerWaalsContact C-NH2 3.33Å; L112-R572 HydrophobicContact CD1-CG 3.89Å; L112-R572 HydrophobicContact CD2-CG 4.31Å; L112-R572 HydrophobicContact CG-CG 4.23Å; L112-R572 VanDerWaalsContact CG-NH2 3.33Å; L568-R572 PolarHBondContact O-N 3.15Å; R572-E673 PolarHBondContact NH1-O 3.37Å
573	G	96.4	Very high	96.6	Very high	4 Å²	4	26.7 Å²	26.7	4%	0.041	15%	0.148	C	C	.	.			trans	-66	156.9	-174.6	0	0	0	0	0	113.1	L568 P569 R589 E590	L568-G573 PolarHBondContact O-N 2.99Å; P569-G573 WeakPolarHBondContact O-CA 3.4Å; P569-G573 PolarHBondContact O-N 3.12Å; P569-G573 VanDerWaalsContact O-N 3.13Å; G573-R589 PolarHBondContact O-NH2 2.63Å; G573-E590 CarbonylContact C-O 3.58Å; G573-E590 VanDerWaalsContact C-O 3.28Å; G573-E590 WeakPolarHBondContact CA-O 3.4Å
574	W	98.1	Very high	96.7	Very high	30 Å²	30	26.1 Å²	26.1	11%	0.114	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.9	142.4	165	-68.1	90.6	0	0	0	111	R589 E590 D592 H662 C669 Y670 V671 K674	W574-R589 VanDerWaalsContact O-CA 3.31Å; W574-R589 WeakPolarHBondContact O-CA 3.24Å; W574-E590 PolarHBondContact N-O 2.91Å; W574-E590 PolarHBondContact O-N 3.36Å; W574-E590 VanDerWaalsContact O-N 3.15Å; W574-D592 PolarHBondContact NE1-OD2 2.96Å; W574-H662 AromaticContact CD1-CD2 3.69Å; W574-H662 AromaticContact CD1-NE2 3.99Å; W574-H662 HydrophobicContact CD2-CB 4.1Å; W574-H662 AromaticContact CD2-CD2 3.88Å; W574-H662 AromaticContact CD2-CG 3.88Å; W574-H662 AromaticContact CE2-CD2 3.71Å; W574-H662 AromaticContact CE2-CE1 3.93Å; W574-H662 AromaticContact CE2-CG 3.81Å; W574-H662 AromaticContact CE2-ND1 3.96Å; W574-H662 AromaticContact CE2-NE2 3.79Å; W574-H662 HydrophobicContact CE3-CB 4.02Å; W574-H662 AromaticContact CG-CD2 3.88Å; W574-H662 AromaticContact CZ2-CE1 3.82Å; W574-H662 AromaticContact CZ2-ND1 3.76Å; W574-H662 HydrophobicContact CZ3-CB 4.32Å; W574-H662 AromaticContact NE1-CD2 3.57Å; W574-H662 AromaticContact NE1-NE2 3.48Å; W574-H662 PolarHBondContact NE1-NE2 3.09Å; W574-C669 HydrophobicContact CE3-CB 3.92Å; W574-C669 HydrophobicContact CZ3-CB 4.15Å; W574-Y670 WeakPolarHBondContact CA-O 3.42Å; W574-V671 HydrophobicContact CD2-CB 3.81Å; W574-V671 HydrophobicContact CD2-CG1 4.03Å; W574-V671 HydrophobicContact CD2-CG2 4.4Å; W574-V671 HydrophobicContact CE3-CB 3.74Å; W574-V671 HydrophobicContact CE3-CG1 3.81Å; W574-V671 HydrophobicContact CG-CB 4.32Å; W574-V671 HydrophobicContact CH2-CG1 3.69Å; W574-V671 HydrophobicContact CZ2-CG1 3.9Å; W574-V671 HydrophobicContact CZ3-CB 4.11Å; W574-V671 HydrophobicContact CZ3-CG1 3.64Å; W574-K674 HydrophobicContact CZ2-CD 4.25Å
575	F	98.6	Very high	96.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124	166.1	163	-100.4	0	0	0	108.1	V425 M429 L469 P470 Y577 Y587 L588 C669 Y670	V425-F575 HydrophobicContact CG1-CE1 4.15Å; V425-F575 HydrophobicContact CG1-CZ 3.77Å; M429-F575 HydrophobicContact CE-CD1 4.23Å; M429-F575 HydrophobicContact CG-CE1 4.25Å; L469-F575 HydrophobicContact CD2-CD2 4.34Å; L469-F575 HydrophobicContact CD2-CE2 3.63Å; L469-F575 HydrophobicContact CD2-CZ 4.06Å; P470-F575 HydrophobicContact CB-CB 4.02Å; P470-F575 HydrophobicContact CG-CB 3.63Å; P470-F575 HydrophobicContact CG-CD1 4.16Å; P470-F575 HydrophobicContact CG-CD2 4.22Å; P470-F575 HydrophobicContact CG-CG 3.75Å; F575-Y577 HydrophobicContact CE1-CD1 4.2Å; F575-Y577 HydrophobicContact CE1-CD2 4.2Å; F575-Y577 AromaticContact CE1-CE1 3.72Å; F575-Y577 HydrophobicContact CE1-CE1 3.72Å; F575-Y577 AromaticContact CE1-CE2 3.69Å; F575-Y577 HydrophobicContact CE1-CE2 3.69Å; F575-Y577 HydrophobicContact CE1-CG 4.43Å; F575-Y577 AromaticContact CE1-CZ 3.42Å; F575-Y577 VanDerWaalsContact CE1-CZ 3.42Å; F575-Y577 AromaticContact CZ-CD1 3.86Å; F575-Y577 HydrophobicContact CZ-CD1 3.86Å; F575-Y577 AromaticContact CZ-CE1 3.46Å; F575-Y577 HydrophobicContact CZ-CE1 3.46Å; F575-Y577 VanDerWaalsContact CZ-CE1 3.46Å; F575-Y577 HydrophobicContact CZ-CE2 4.29Å; F575-Y577 HydrophobicContact CZ-CG 4.46Å; F575-Y577 AromaticContact CZ-CZ 3.69Å; F575-Y587 AromaticContact CD2-CD2 3.74Å; F575-Y587 HydrophobicContact CD2-CD2 3.74Å; F575-Y587 HydrophobicContact CD2-CE2 4.31Å; F575-Y587 HydrophobicContact CD2-CG 4.13Å; F575-Y587 HydrophobicContact CE2-CD1 4.08Å; F575-Y587 AromaticContact CE2-CD2 3.5Å; F575-Y587 HydrophobicContact CE2-CD2 3.5Å; F575-Y587 VanDerWaalsContact CE2-CD2 3.5Å; F575-Y587 HydrophobicContact CE2-CE2 4.06Å; F575-Y587 AromaticContact CE2-CG 3.48Å; F575-Y587 HydrophobicContact CE2-CG 3.48Å; F575-Y587 VanDerWaalsContact CE2-CG 3.48Å; F575-Y587 HydrophobicContact CZ-CG 4.41Å; F575-L588 WeakPolarHBondContact CA-O 3.1Å; F575-C669 CarbonylContact O-C 3.47Å; F575-C669 VanDerWaalsContact O-CA 3.31Å; F575-C669 WeakPolarHBondContact O-CA 3.46Å; F575-Y670 HydrophobicContact CD1-CD2 4.12Å; F575-Y670 HydrophobicContact CE1-CD2 4.43Å; F575-Y670 PolarHBondContact N-O 2.85Å; F575-Y670 PolarHBondContact O-N 2.79Å
576	C	98.6	Very high	97	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	125.1	-177	-66.9	0	0	0	0	111.8	Y587 L588 Y661 Q668 C669	C576-Y587 CarbonylContact O-C 3.56Å; C576-Y587 WeakPolarHBondContact O-CA 3.13Å; C576-Y587 WeakPolarHBondContact O-CB 3.4Å; C576-L588 HydrophobicContact CB-CB 4.32Å; C576-L588 PolarHBondContact N-O 2.79Å; C576-L588 VanDerWaalsContact N-O 3.08Å; C576-L588 PolarHBondContact O-N 3.04Å; C576-Y661 HydrophobicContact CB-CD1 3.58Å; C576-Y661 HydrophobicContact CB-CE1 4.01Å; C576-Q668 WeakPolarHBondContact CA-O 3.44Å; C576-C669 HydrophobicContact CB-CB 4.19Å; C576-C669 WeakPolarHBondContact CB-SG 3.31Å; C576-C669 WeakPolarHBondContact SG-CB 3.46Å; C576-C669 CovalentContact SG-SG 2.04Å; C576-C669 PolarHBondContact SG-SG 3.17Å
577	Y	98.3	Very high	97.2	Very high	10 Å²	10	20.2 Å²	20.2	4%	0.039	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	137.6	171	-62.5	-73.3	0	0	0	110.8	K422 V425 E426 F575 F585 Y661 Q668 Y670	K422-Y577 HydrophobicContact CD-CD1 4.46Å; K422-Y577 HydrophobicContact CG-CD1 4.19Å; K422-Y577 HydrophobicContact CG-CE1 4.08Å; V425-Y577 VanDerWaalsContact C-OH 3.27Å; V425-Y577 HydrophobicContact CB-CE1 4.45Å; V425-Y577 HydrophobicContact CG1-CE1 4.09Å; V425-Y577 VanDerWaalsContact CG1-OH 3.29Å; V425-Y577 WeakPolarHBondContact CG1-OH 3.49Å; V425-Y577 PolarHBondContact O-OH 3.22Å; E426-Y577 WeakPolarHBondContact CA-OH 3.22Å; E426-Y577 PolarHBondContact N-OH 2.79Å; E426-Y577 VanDerWaalsContact N-OH 3.08Å; F575-Y577 HydrophobicContact CE1-CD1 4.2Å; F575-Y577 HydrophobicContact CE1-CD2 4.2Å; F575-Y577 AromaticContact CE1-CE1 3.72Å; F575-Y577 HydrophobicContact CE1-CE1 3.72Å; F575-Y577 AromaticContact CE1-CE2 3.69Å; F575-Y577 HydrophobicContact CE1-CE2 3.69Å; F575-Y577 HydrophobicContact CE1-CG 4.43Å; F575-Y577 AromaticContact CE1-CZ 3.42Å; F575-Y577 VanDerWaalsContact CE1-CZ 3.42Å; F575-Y577 AromaticContact CZ-CD1 3.86Å; F575-Y577 HydrophobicContact CZ-CD1 3.86Å; F575-Y577 AromaticContact CZ-CE1 3.46Å; F575-Y577 HydrophobicContact CZ-CE1 3.46Å; F575-Y577 VanDerWaalsContact CZ-CE1 3.46Å; F575-Y577 HydrophobicContact CZ-CE2 4.29Å; F575-Y577 HydrophobicContact CZ-CG 4.46Å; F575-Y577 AromaticContact CZ-CZ 3.69Å; Y577-F585 AromaticContact CD1-CE2 3.71Å; Y577-F585 HydrophobicContact CD1-CE2 3.71Å; Y577-F585 HydrophobicContact CD1-CZ 4.07Å; Y577-F585 AromaticContact CE1-CE2 3.8Å; Y577-F585 HydrophobicContact CE1-CE2 3.8Å; Y577-F585 AromaticContact CE1-CZ 3.8Å; Y577-F585 HydrophobicContact CE1-CZ 3.8Å; Y577-Y661 WeakPolarHBondContact O-CE1 3.4Å; Y577-Y661 PolarHBondContact O-OH 2.86Å; Y577-Q668 WeakPolarHBondContact CD2-O 3.19Å; Y577-Q668 PolarHBondContact N-O 2.76Å; Y577-Y670 HydrophobicContact CD2-CE2 4.03Å; Y577-Y670 HydrophobicContact CE2-CD2 4.14Å; Y577-Y670 AromaticContact CE2-CE2 3.55Å; Y577-Y670 HydrophobicContact CE2-CE2 3.55Å
578	V	97.2	Very high	97.3	Very high	27 Å²	27	18.2 Å²	18.2	16%	0.164	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	-62.6	178.2	177.5	0	0	0	0	111.4	S586 L588 L613 V616	V578-S586 PolarHBondContact N-O 3.47Å; V578-L588 HydrophobicContact CG2-CD1 3.92Å; V578-L588 HydrophobicContact CG2-CD2 3.99Å; V578-L588 HydrophobicContact CG2-CG 3.47Å; V578-L588 VanDerWaalsContact CG2-CG 3.47Å; V578-L613 HydrophobicContact CG1-CD1 4.31Å; V578-L613 HydrophobicContact CG1-CD2 3.82Å; V578-V616 HydrophobicContact CG1-CG2 3.88Å
579	L	97.3	Very high	97.5	Very high	48 Å²	48	16.1 Å²	16.1	25%	0.251	9%	0.088	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	140.2	-177.1	175.5	143.9	0	0	0	109.9	V584 S586 T611 L613	L579-V584 HydrophobicContact CD2-CB 4.36Å; L579-V584 HydrophobicContact CD2-CG1 4.21Å; L579-S586 WeakPolarHBondContact CA-OG 3.46Å; L579-S586 WeakPolarHBondContact CB-OG 3.47Å; L579-S586 PolarHBondContact N-O 2.89Å; L579-S586 PolarHBondContact N-OG 3.49Å; L579-S586 VanDerWaalsContact N-OG 3.1Å; L579-S586 PolarHBondContact O-N 3.45Å; L579-S586 PolarHBondContact O-OG 3.35Å; L579-T611 HydrophobicContact CD1-CG2 4.44Å; L579-T611 HydrophobicContact CD2-CG2 3.98Å; L579-L613 HydrophobicContact CB-CD2 3.88Å; L579-L613 HydrophobicContact CD1-CD2 4.01Å; L579-L613 HydrophobicContact CG-CD2 4.5Å
580	S	97.4	Very high	97.5	Very high	26 Å²	26	16.1 Å²	16.1	18%	0.182	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	126.6	172.7	174.8	0	0	0	0	109.2	G418 W419 K422 V584	G418-S580 PolarHBondContact O-OG 3.14Å; W419-S580 WeakPolarHBondContact CA-OG 3.38Å; W419-S580 PolarHBondContact N-OG 2.89Å; W419-S580 PolarHBondContact NE1-O 3.24Å; W419-S580 VanDerWaalsContact NE1-O 3.11Å; K422-S580 WeakPolarHBondContact CB-OG 3.47Å; K422-S580 VanDerWaalsContact CD-CB 3.45Å; S580-V584 CarbonylContact C-O 3.6Å; S580-V584 VanDerWaalsContact CA-O 3.24Å; S580-V584 WeakPolarHBondContact CA-O 3.41Å
581	D	97.1	Very high	97.5	Very high	41 Å²	41	16.1 Å²	16.1	22%	0.219	9%	0.088	C	C	.	.			trans	-132.8	-168.8	176.4	67.2	40.4	0	0	0	111.2	G418 W419 N583 V584	G418-D581 CarbonylContact C-O 3.31Å; G418-D581 VanDerWaalsContact C-O 3.27Å; G418-D581 WeakPolarHBondContact CA-O 3.08Å; G418-D581 PolarHBondContact N-O 3.35Å; W419-D581 PolarHBondContact N-O 3.37Å; W419-D581 VanDerWaalsContact NE1-CA 3.25Å; D581-N583 PolarHBondContact O-N 2.74Å; D581-N583 VanDerWaalsContact O-N 3.09Å; D581-N583 WeakPolarHBondContact OD1-CA 3.32Å; D581-N583 WeakPolarHBondContact OD1-CB 3.49Å; D581-N583 PolarHBondContact OD1-N 2.96Å; D581-V584 PolarHBondContact N-O 3.14Å; D581-V584 PolarHBondContact OD1-N 2.86Å
582	T	96.9	Very high	97.6	Very high	69 Å²	69	16.2 Å²	16.2	42%	0.423	9%	0.089	S	C	.	.	S	Bend	trans	-57.5	-22.5	177.6	49	0	0	0	0	113.9	S417 W419	S417-T582 WeakPolarHBondContact CA-O 3.3Å; S417-T582 WeakPolarHBondContact CB-O 3.46Å; W419-T582 HydrophobicContact CD2-CG2 4.44Å; W419-T582 HydrophobicContact CE3-CG2 3.78Å; W419-T582 HydrophobicContact CH2-CG2 3.35Å; W419-T582 HydrophobicContact CZ2-CG2 4.05Å; W419-T582 HydrophobicContact CZ3-CG2 3.2Å
583	N	97.6	Very high	97.7	Very high	41 Å²	41	17.1 Å²	17.1	22%	0.219	10%	0.103	C	C	.	.	S	Bend	trans	-117.8	-49.2	-172.4	-63.3	-49	0	0	0	111.6	G418 D581 N603 F604 G605	G418-N583 PolarHBondContact N-O 2.81Å; D581-N583 PolarHBondContact O-N 2.74Å; D581-N583 VanDerWaalsContact O-N 3.09Å; D581-N583 WeakPolarHBondContact OD1-CA 3.32Å; D581-N583 WeakPolarHBondContact OD1-CB 3.49Å; D581-N583 PolarHBondContact OD1-N 2.96Å; N583-N603 WeakPolarHBondContact CB-OD1 3.37Å; N583-N603 CarbonylContact O-C 3.28Å; N583-N603 WeakPolarHBondContact O-CA 3.35Å; N583-N603 PolarHBondContact O-OD1 3.37Å; N583-F604 PolarHBondContact O-N 2.8Å; N583-G605 PolarHBondContact O-N 3.1Å; N583-G605 VanDerWaalsContact O-N 3.09Å; N583-G605 WeakPolarHBondContact OD1-CA 3.49Å
584	V	98.5	Very high	97.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	136	-165.7	175.8	0	0	0	0	111.5	G418 L579 S580 D581 V601 I602 N603	G418-V584 WeakPolarHBondContact CA-O 3.47Å; L579-V584 HydrophobicContact CD2-CB 4.36Å; L579-V584 HydrophobicContact CD2-CG1 4.21Å; S580-V584 CarbonylContact C-O 3.6Å; S580-V584 VanDerWaalsContact CA-O 3.24Å; S580-V584 WeakPolarHBondContact CA-O 3.41Å; D581-V584 PolarHBondContact N-O 3.14Å; D581-V584 PolarHBondContact OD1-N 2.86Å; V584-V601 HydrophobicContact CG1-CG1 3.67Å; V584-I602 CarbonylContact C-O 3.37Å; V584-I602 VanDerWaalsContact CA-O 3.27Å; V584-I602 WeakPolarHBondContact CA-O 3.27Å; V584-N603 HydrophobicContact CG2-CB 4.25Å
585	F	98.7	Very high	97.5	Very high	1 Å²	1	21.1 Å²	21.1	0%	0.004	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126.8	165.1	176.9	-133.3	0	0	0	109.4	A421 K422 V425 M465 Y577 Y587 I602 F604	A421-F585 HydrophobicContact CB-CB 4.09Å; A421-F585 HydrophobicContact CB-CD1 3.92Å; A421-F585 HydrophobicContact CB-CG 4.1Å; K422-F585 HydrophobicContact CB-CD2 3.74Å; K422-F585 HydrophobicContact CB-CE2 3.66Å; K422-F585 HydrophobicContact CG-CE2 4.06Å; V425-F585 HydrophobicContact CB-CZ 4.32Å; V425-F585 HydrophobicContact CG1-CZ 4.45Å; V425-F585 HydrophobicContact CG2-CE1 4.1Å; V425-F585 HydrophobicContact CG2-CZ 4.24Å; M465-F585 HydrophobicContact SD-CD1 4.03Å; M465-F585 HydrophobicContact SD-CE1 4.06Å; Y577-F585 AromaticContact CD1-CE2 3.71Å; Y577-F585 HydrophobicContact CD1-CE2 3.71Å; Y577-F585 HydrophobicContact CD1-CZ 4.07Å; Y577-F585 AromaticContact CE1-CE2 3.8Å; Y577-F585 HydrophobicContact CE1-CE2 3.8Å; Y577-F585 AromaticContact CE1-CZ 3.8Å; Y577-F585 HydrophobicContact CE1-CZ 3.8Å; F585-Y587 HydrophobicContact CD1-CD1 4.08Å; F585-Y587 AromaticContact CD1-CE1 3.97Å; F585-Y587 HydrophobicContact CD1-CE1 3.97Å; F585-Y587 AromaticContact CE1-CD1 3.6Å; F585-Y587 HydrophobicContact CE1-CD1 3.6Å; F585-Y587 AromaticContact CE1-CE1 3.54Å; F585-Y587 HydrophobicContact CE1-CE1 3.54Å; F585-Y587 HydrophobicContact CE2-CD1 4.27Å; F585-Y587 AromaticContact CZ-CD1 3.7Å; F585-Y587 HydrophobicContact CZ-CD1 3.7Å; F585-Y587 HydrophobicContact CZ-CE1 4.11Å; F585-I602 PolarHBondContact N-O 2.97Å; F585-I602 PolarHBondContact O-N 2.95Å; F585-F604 HydrophobicContact CB-CD2 4.19Å; F585-F604 HydrophobicContact CB-CE2 4.22Å; F585-F604 HydrophobicContact CD1-CE2 4.38Å
586	S	98.6	Very high	97.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	145.6	-177.4	67.5	0	0	0	0	113.6	V578 L579 I600	V578-S586 PolarHBondContact N-O 3.47Å; L579-S586 WeakPolarHBondContact CA-OG 3.46Å; L579-S586 WeakPolarHBondContact CB-OG 3.47Å; L579-S586 PolarHBondContact N-O 2.89Å; L579-S586 PolarHBondContact N-OG 3.49Å; L579-S586 VanDerWaalsContact N-OG 3.1Å; L579-S586 PolarHBondContact O-N 3.45Å; L579-S586 PolarHBondContact O-OG 3.35Å; S586-I600 CarbonylContact C-O 3.58Å; S586-I600 WeakPolarHBondContact CA-O 3.39Å; S586-I600 WeakPolarHBondContact CB-O 3.49Å
587	Y	98.8	Very high	97.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	164.1	-176	54.8	-93.4	0	0	0	112.1	T468 L469 F575 C576 F585 I600 I602	T468-Y587 PolarHBondContact OG1-OH 3.29Å; L469-Y587 HydrophobicContact CD2-CE1 4.2Å; L469-Y587 HydrophobicContact CD2-CE2 4.28Å; F575-Y587 AromaticContact CD2-CD2 3.74Å; F575-Y587 HydrophobicContact CD2-CD2 3.74Å; F575-Y587 HydrophobicContact CD2-CE2 4.31Å; F575-Y587 HydrophobicContact CD2-CG 4.13Å; F575-Y587 HydrophobicContact CE2-CD1 4.08Å; F575-Y587 AromaticContact CE2-CD2 3.5Å; F575-Y587 HydrophobicContact CE2-CD2 3.5Å; F575-Y587 VanDerWaalsContact CE2-CD2 3.5Å; F575-Y587 HydrophobicContact CE2-CE2 4.06Å; F575-Y587 AromaticContact CE2-CG 3.48Å; F575-Y587 HydrophobicContact CE2-CG 3.48Å; F575-Y587 VanDerWaalsContact CE2-CG 3.48Å; F575-Y587 HydrophobicContact CZ-CG 4.41Å; C576-Y587 CarbonylContact O-C 3.56Å; C576-Y587 WeakPolarHBondContact O-CA 3.13Å; C576-Y587 WeakPolarHBondContact O-CB 3.4Å; F585-Y587 HydrophobicContact CD1-CD1 4.08Å; F585-Y587 AromaticContact CD1-CE1 3.97Å; F585-Y587 HydrophobicContact CD1-CE1 3.97Å; F585-Y587 AromaticContact CE1-CD1 3.6Å; F585-Y587 HydrophobicContact CE1-CD1 3.6Å; F585-Y587 AromaticContact CE1-CE1 3.54Å; F585-Y587 HydrophobicContact CE1-CE1 3.54Å; F585-Y587 HydrophobicContact CE2-CD1 4.27Å; F585-Y587 AromaticContact CZ-CD1 3.7Å; F585-Y587 HydrophobicContact CZ-CD1 3.7Å; F585-Y587 HydrophobicContact CZ-CE1 4.11Å; Y587-I600 HydrophobicContact CD1-CB 4.36Å; Y587-I600 HydrophobicContact CD2-CB 3.92Å; Y587-I600 HydrophobicContact CD2-CG1 3.91Å; Y587-I600 HydrophobicContact CE1-CB 4.09Å; Y587-I600 HydrophobicContact CE1-CG2 3.92Å; Y587-I600 HydrophobicContact CE2-CB 3.64Å; Y587-I600 HydrophobicContact CE2-CG1 3.48Å; Y587-I600 VanDerWaalsContact CE2-CG1 3.48Å; Y587-I600 HydrophobicContact CE2-CG2 4.04Å; Y587-I600 HydrophobicContact CG-CB 4.29Å; Y587-I600 PolarHBondContact N-O 2.79Å; Y587-I600 VanDerWaalsContact N-O 3.07Å; Y587-I600 PolarHBondContact O-N 2.78Å; Y587-I602 HydrophobicContact CE1-CD1 4.37Å
588	L	98.7	Very high	97.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	149.6	178.3	-55.3	175.2	0	0	0	112.1	F575 C576 V578 E590 Y598 L599 L619 Y655 Y661	F575-L588 WeakPolarHBondContact CA-O 3.1Å; C576-L588 HydrophobicContact CB-CB 4.32Å; C576-L588 PolarHBondContact N-O 2.79Å; C576-L588 VanDerWaalsContact N-O 3.08Å; C576-L588 PolarHBondContact O-N 3.04Å; V578-L588 HydrophobicContact CG2-CD1 3.92Å; V578-L588 HydrophobicContact CG2-CD2 3.99Å; V578-L588 HydrophobicContact CG2-CG 3.47Å; V578-L588 VanDerWaalsContact CG2-CG 3.47Å; L588-E590 HydrophobicContact CB-CG 4.02Å; L588-Y598 CarbonylContact C-O 3.57Å; L588-Y598 VanDerWaalsContact CA-O 3.25Å; L588-Y598 WeakPolarHBondContact CA-O 3.3Å; L588-L599 HydrophobicContact CD2-CB 3.69Å; L588-L599 HydrophobicContact CD2-CD1 3.56Å; L588-L599 HydrophobicContact CD2-CG 4.2Å; L588-L619 HydrophobicContact CD2-CD2 4.1Å; L588-Y655 HydrophobicContact CD2-CE1 4.22Å; L588-Y661 VanDerWaalsContact CD1-CB 3.5Å; L588-Y661 HydrophobicContact CD1-CD1 4.23Å; L588-Y661 HydrophobicContact CD1-CD2 4.06Å; L588-Y661 HydrophobicContact CD1-CG 3.67Å
589	R	98.6	Very high	97.4	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.008	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	116.8	162.3	-55.8	-57.9	-56.1	-81.4	0.1	109.1	T468 L469 P569 F570 G573 W574 Y598	T468-R589 WeakPolarHBondContact O-CD 3.32Å; T468-R589 PolarHBondContact O-NH1 2.96Å; L469-R589 VanDerWaalsContact C-NH1 3.29Å; L469-R589 PolarHBondContact O-NH1 3.42Å; L469-R589 VanDerWaalsContact O-NH1 3.08Å; P569-R589 HydrophobicContact CB-CB 4.14Å; P569-R589 VanDerWaalsContact O-CZ 3.31Å; P569-R589 PolarHBondContact O-NE 3Å; P569-R589 PolarHBondContact O-NH2 2.85Å; F570-R589 HydrophobicContact CD1-CB 4.29Å; F570-R589 HydrophobicContact CD1-CG 3.81Å; F570-R589 HydrophobicContact CE1-CB 4.19Å; F570-R589 HydrophobicContact CE1-CG 3.66Å; F570-R589 PolarHBondContact O-NH2 3.2Å; G573-R589 PolarHBondContact O-NH2 2.63Å; W574-R589 VanDerWaalsContact O-CA 3.31Å; W574-R589 WeakPolarHBondContact O-CA 3.24Å; R589-Y598 PolarHBondContact N-O 3.1Å; R589-Y598 PolarHBondContact O-N 3.2Å
590	E	97.9	Very high	97.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	150.5	-173.6	-54.5	-171.1	138.3	0	0	112	G573 W574 L588 A597 Y655 Y661	G573-E590 CarbonylContact C-O 3.58Å; G573-E590 VanDerWaalsContact C-O 3.28Å; G573-E590 WeakPolarHBondContact CA-O 3.4Å; W574-E590 PolarHBondContact N-O 2.91Å; W574-E590 PolarHBondContact O-N 3.36Å; W574-E590 VanDerWaalsContact O-N 3.15Å; L588-E590 HydrophobicContact CB-CG 4.02Å; E590-A597 HydrophobicContact CG-CB 4.18Å; E590-Y655 PolarHBondContact OE1-OH 3.3Å; E590-Y655 VanDerWaalsContact OE1-OH 3.13Å; E590-Y661 PolarHBondContact OE1-N 2.74Å; E590-Y661 PolarHBondContact OE2-N 3.04Å
591	L	97	Very high	97.5	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	133	172.1	-178.8	67.8	0	0	0	111	L568 P569 G593 H594 R660 A675 L684	L568-L591 HydrophobicContact CB-CD2 3.56Å; L568-L591 HydrophobicContact CD1-CD2 4.03Å; L568-L591 HydrophobicContact CG-CD2 4.39Å; P569-L591 HydrophobicContact CG-CB 4.39Å; L591-G593 PolarHBondContact O-N 3.04Å; L591-H594 HydrophobicContact CB-CB 4.06Å; L591-H594 HydrophobicContact CD2-CB 4.12Å; L591-H594 HydrophobicContact CG-CB 4.23Å; L591-H594 PolarHBondContact O-N 2.99Å; L591-H594 VanDerWaalsContact O-N 3.11Å; L591-R660 PolarHBondContact O-NE 3.37Å; L591-R660 PolarHBondContact O-NH2 3.03Å; L591-A675 WeakPolarHBondContact CD1-O 3.41Å; L591-L684 HydrophobicContact CD2-CD2 4.13Å
592	D	96.4	Very high	97.6	Very high	26 Å²	26	16.4 Å²	16.4	14%	0.139	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	131.8	179.1	-72.2	-41.2	0	0	0	111.1	W574 H594 H662 C676 Y677	W574-D592 PolarHBondContact NE1-OD2 2.96Å; D592-H594 PolarHBondContact O-N 2.97Å; D592-H662 IonicContact OD1-CD2 2.94Å; D592-H662 IonicContact OD1-CE1 3.6Å; D592-H662 IonicContact OD1-NE2 2.84Å; D592-H662 PolarHBondContact OD1-NE2 2.97Å; D592-H662 IonicContact OD2-CE1 3.7Å; D592-H662 IonicContact OD2-NE2 3.93Å; D592-H662 PolarHBondContact OD2-NE2 3.28Å; D592-C676 HydrophobicContact CB-CB 4.34Å; D592-C676 VanDerWaalsContact CB-SG 3.53Å; D592-Y677 PolarHBondContact O-N 2.9Å
593	G	94.6	Very high	97.7	Very high	34 Å²	34	13.1 Å²	13.1	35%	0.351	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	-2.6	-177.2	0	0	0	0	0	115.9	L591 Y677	L591-G593 PolarHBondContact O-N 3.04Å; G593-Y677 CarbonylContact C-O 3.54Å; G593-Y677 VanDerWaalsContact CA-O 3.32Å; G593-Y677 WeakPolarHBondContact CA-O 3.24Å
594	H	95.6	Very high	97.7	Very high	30 Å²	30	11.2 Å²	11.2	14%	0.139	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	110.2	176.6	-175.8	47.8	0	0	0	112.3	L591 D592 E596 R660 Y677	L591-H594 HydrophobicContact CB-CB 4.06Å; L591-H594 HydrophobicContact CD2-CB 4.12Å; L591-H594 HydrophobicContact CG-CB 4.23Å; L591-H594 PolarHBondContact O-N 2.99Å; L591-H594 VanDerWaalsContact O-N 3.11Å; D592-H594 PolarHBondContact O-N 2.97Å; H594-E596 VanDerWaalsContact C-N 3.3Å; H594-E596 PolarHBondContact O-N 2.9Å; H594-E596 VanDerWaalsContact O-N 3.13Å; H594-R660 VanDerWaalsContact C-NH2 3.29Å; H594-R660 PolarHBondContact O-NH2 2.88Å; H594-Y677 HydrophobicContact CB-CD1 3.83Å; H594-Y677 HydrophobicContact CB-CG 4.19Å; H594-Y677 AromaticContact ND1-CD1 3.79Å; H594-Y677 AromaticContact ND1-CE1 3.85Å
595	K	94.5	Very high	97.5	Very high	87 Å²	87	11.3 Å²	11.3	38%	0.378	6%	0.062	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	-33.3	-167.7	-158.7	-172.5	176.2	-169.4	0	115.8	S656 T657 Y658	K595-S656 WeakPolarHBondContact CD-OG 3.31Å; K595-S656 WeakPolarHBondContact CE-OG 3.43Å; K595-S656 VanDerWaalsContact CG-OG 3.28Å; K595-S656 WeakPolarHBondContact CG-OG 3.49Å; K595-S656 WeakPolarHBondContact O-CA 3.46Å; K595-T657 PolarHBondContact O-N 3.14Å; K595-Y658 HydrophobicContact CB-CE1 4.16Å; K595-Y658 HydrophobicContact CD-CE2 4.04Å; K595-Y658 HydrophobicContact CG-CD2 4.35Å; K595-Y658 HydrophobicContact CG-CE1 4.25Å; K595-Y658 HydrophobicContact CG-CE2 3.94Å
596	E	95.9	Very high	97.3	Very high	53 Å²	53	19.1 Å²	19.1	25%	0.248	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	137.1	180	-61.8	-59.6	118.3	0	0	111.6	H594 R654 S656	H594-E596 VanDerWaalsContact C-N 3.3Å; H594-E596 PolarHBondContact O-N 2.9Å; H594-E596 VanDerWaalsContact O-N 3.13Å; E596-R654 WeakPolarHBondContact OE2-CD 3.32Å; E596-R654 WeakPolarHBondContact OE2-CG 3.38Å; E596-R654 IonicContact OE2-NE 3.89Å; E596-S656 VanDerWaalsContact OE1-CB 3.26Å; E596-S656 WeakPolarHBondContact OE1-CB 3.38Å; E596-S656 PolarHBondContact OE1-OG 3.13Å
597	A	97.4	Very high	97.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	160.8	178.4	0	0	0	0	0	110.6	E590 Y655	E590-A597 HydrophobicContact CG-CB 4.18Å; A597-Y655 HydrophobicContact CB-CD1 4.43Å; A597-Y655 HydrophobicContact CB-CD2 4.29Å; A597-Y655 HydrophobicContact CB-CE1 3.89Å; A597-Y655 HydrophobicContact CB-CE2 3.75Å; A597-Y655 VanDerWaalsContact CB-CZ 3.5Å; A597-Y655 PolarHBondContact N-O 3Å; A597-Y655 WeakPolarHBondContact O-CD1 2.82Å; A597-Y655 PolarHBondContact O-N 3.18Å; A597-Y655 VanDerWaalsContact O-O 3.1Å
598	Y	98.6	Very high	96.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	134.9	-174.8	-60.5	-96.8	0	0	0	110.8	L563 E567 P569 F570 L588 R589 L626 V652 I653 R654	L563-Y598 HydrophobicContact CD1-CE1 4.21Å; L563-Y598 HydrophobicContact CD2-CE1 4.47Å; E567-Y598 HydrophobicContact CB-CE2 4.37Å; E567-Y598 HydrophobicContact CG-CE2 4.42Å; E567-Y598 VanDerWaalsContact CG-OH 3.31Å; E567-Y598 WeakPolarHBondContact CG-OH 3.44Å; E567-Y598 PolarHBondContact OE1-OH 2.98Å; E567-Y598 PolarHBondContact OE2-OH 3.11Å; P569-Y598 HydrophobicContact CB-CD2 4Å; P569-Y598 HydrophobicContact CB-CE2 4.29Å; P569-Y598 HydrophobicContact CG-CD2 4.17Å; P569-Y598 HydrophobicContact CG-CE2 4.03Å; F570-Y598 HydrophobicContact CD2-CD2 4.29Å; F570-Y598 HydrophobicContact CD2-CE2 4.4Å; F570-Y598 AromaticContact CE2-CD1 3.61Å; F570-Y598 HydrophobicContact CE2-CD1 3.61Å; F570-Y598 AromaticContact CE2-CD2 3.62Å; F570-Y598 HydrophobicContact CE2-CD2 3.62Å; F570-Y598 AromaticContact CE2-CE1 3.84Å; F570-Y598 HydrophobicContact CE2-CE1 3.84Å; F570-Y598 AromaticContact CE2-CE2 3.89Å; F570-Y598 HydrophobicContact CE2-CE2 3.89Å; F570-Y598 AromaticContact CE2-CG 3.5Å; F570-Y598 HydrophobicContact CE2-CG 3.5Å; F570-Y598 VanDerWaalsContact CE2-CG 3.5Å; F570-Y598 AromaticContact CE2-CZ 4Å; F570-Y598 AromaticContact CZ-CD1 3.78Å; F570-Y598 HydrophobicContact CZ-CD1 3.78Å; F570-Y598 HydrophobicContact CZ-CD2 4.06Å; F570-Y598 HydrophobicContact CZ-CE1 4.44Å; F570-Y598 AromaticContact CZ-CG 3.56Å; F570-Y598 HydrophobicContact CZ-CG 3.56Å; L588-Y598 CarbonylContact C-O 3.57Å; L588-Y598 VanDerWaalsContact CA-O 3.25Å; L588-Y598 WeakPolarHBondContact CA-O 3.3Å; R589-Y598 PolarHBondContact N-O 3.1Å; R589-Y598 PolarHBondContact O-N 3.2Å; Y598-L626 HydrophobicContact CE1-CD2 3.95Å; Y598-V652 HydrophobicContact CD1-CG1 4.01Å; Y598-I653 CarbonylContact C-O 3.53Å; Y598-I653 VanDerWaalsContact CA-O 3.31Å; Y598-I653 WeakPolarHBondContact CA-O 3.36Å; Y598-R654 HydrophobicContact CD1-CB 4.17Å; Y598-R654 HydrophobicContact CD1-CG 4.39Å; Y598-R654 HydrophobicContact CE1-CB 3.95Å; Y598-R654 HydrophobicContact CE1-CG 3.88Å
599	L	98.8	Very high	96.9	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126.4	168.1	167.2	67.9	0	0	0	107.6	L588 V601 L613 L619 L623 I643 I653 Y655	L588-L599 HydrophobicContact CD2-CB 3.69Å; L588-L599 HydrophobicContact CD2-CD1 3.56Å; L588-L599 HydrophobicContact CD2-CG 4.2Å; L599-V601 HydrophobicContact CD1-CG2 4.14Å; L599-V601 HydrophobicContact CD2-CG2 4.03Å; L599-V601 HydrophobicContact CG-CG2 3.84Å; L599-L613 HydrophobicContact CD1-CD1 4.16Å; L599-L613 HydrophobicContact CD2-CD1 3.7Å; L599-L619 HydrophobicContact CD2-CD1 4.22Å; L599-L623 HydrophobicContact CD2-CD1 3.86Å; L599-I643 HydrophobicContact CD2-CD1 4.07Å; L599-I653 HydrophobicContact CB-CB 4.15Å; L599-I653 HydrophobicContact CB-CG2 4.44Å; L599-I653 HydrophobicContact CD2-CD1 4.07Å; L599-I653 PolarHBondContact N-O 2.82Å; L599-I653 WeakPolarHBondContact O-CB 3.29Å; L599-I653 PolarHBondContact O-N 2.81Å; L599-Y655 HydrophobicContact CB-CD1 4.39Å; L599-Y655 HydrophobicContact CB-CE1 3.97Å
600	I	98.8	Very high	96.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	129.3	175.4	-51	-54.5	0	0	0	107.8	L464 T468 F570 S586 Y587 I602 L651 V652	L464-I600 HydrophobicContact CD2-CG2 3.53Å; T468-I600 HydrophobicContact CG2-CD1 4.03Å; F570-I600 HydrophobicContact CE1-CD1 4.23Å; F570-I600 HydrophobicContact CZ-CD1 4.23Å; S586-I600 CarbonylContact C-O 3.58Å; S586-I600 WeakPolarHBondContact CA-O 3.39Å; S586-I600 WeakPolarHBondContact CB-O 3.49Å; Y587-I600 HydrophobicContact CD1-CB 4.36Å; Y587-I600 HydrophobicContact CD2-CB 3.92Å; Y587-I600 HydrophobicContact CD2-CG1 3.91Å; Y587-I600 HydrophobicContact CE1-CB 4.09Å; Y587-I600 HydrophobicContact CE1-CG2 3.92Å; Y587-I600 HydrophobicContact CE2-CB 3.64Å; Y587-I600 HydrophobicContact CE2-CG1 3.48Å; Y587-I600 VanDerWaalsContact CE2-CG1 3.48Å; Y587-I600 HydrophobicContact CE2-CG2 4.04Å; Y587-I600 HydrophobicContact CG-CB 4.29Å; Y587-I600 PolarHBondContact N-O 2.79Å; Y587-I600 VanDerWaalsContact N-O 3.07Å; Y587-I600 PolarHBondContact O-N 2.78Å; I600-I602 HydrophobicContact CG2-CD1 3.91Å; I600-I602 HydrophobicContact CG2-CG1 3.81Å; I600-L651 WeakPolarHBondContact CA-O 3.32Å; I600-V652 HydrophobicContact CD1-CB 4.32Å; I600-V652 HydrophobicContact CD1-CG1 3.98Å; I600-V652 HydrophobicContact CD1-CG2 4.12Å
601	V	98.8	Very high	96.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	120.2	177.4	-175.3	0	0	0	0	108	V584 L599 I643 T645 G650 L651 I653	V584-V601 HydrophobicContact CG1-CG1 3.67Å; L599-V601 HydrophobicContact CD1-CG2 4.14Å; L599-V601 HydrophobicContact CD2-CG2 4.03Å; L599-V601 HydrophobicContact CG-CG2 3.84Å; V601-I643 HydrophobicContact CG2-CD1 4.49Å; V601-T645 HydrophobicContact CG1-CG2 4.2Å; V601-G650 CarbonylContact O-C 3.6Å; V601-G650 VanDerWaalsContact O-CA 3.3Å; V601-G650 WeakPolarHBondContact O-CA 3.15Å; V601-L651 HydrophobicContact CB-CB 4.4Å; V601-L651 PolarHBondContact N-O 2.83Å; V601-L651 VanDerWaalsContact N-O 3.07Å; V601-L651 PolarHBondContact O-N 3.17Å; V601-I653 HydrophobicContact CG2-CD1 4.21Å
602	I	98.7	Very high	96.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	122.1	-175.6	-44.4	-177.3	0	0	0	109.3	A461 L464 M465 V584 F585 Y587 I600 F604	A461-I602 HydrophobicContact CB-CG2 3.76Å; L464-I602 HydrophobicContact CD2-CD1 3.59Å; L464-I602 HydrophobicContact CD2-CG1 3.81Å; M465-I602 HydrophobicContact CB-CD1 3.6Å; M465-I602 HydrophobicContact CG-CD1 4.08Å; V584-I602 CarbonylContact C-O 3.37Å; V584-I602 VanDerWaalsContact CA-O 3.27Å; V584-I602 WeakPolarHBondContact CA-O 3.27Å; F585-I602 PolarHBondContact N-O 2.97Å; F585-I602 PolarHBondContact O-N 2.95Å; Y587-I602 HydrophobicContact CE1-CD1 4.37Å; I600-I602 HydrophobicContact CG2-CD1 3.91Å; I600-I602 HydrophobicContact CG2-CG1 3.81Å; I602-F604 HydrophobicContact CB-CD2 4.33Å; I602-F604 HydrophobicContact CB-CE2 3.88Å; I602-F604 HydrophobicContact CB-CZ 4.4Å; I602-F604 HydrophobicContact CD1-CE2 4.43Å; I602-F604 HydrophobicContact CG2-CD2 3.99Å; I602-F604 HydrophobicContact CG2-CE1 4.17Å; I602-F604 HydrophobicContact CG2-CE2 3.54Å; I602-F604 HydrophobicContact CG2-CG 4.48Å; I602-F604 HydrophobicContact CG2-CZ 3.65Å
603	N	98.4	Very high	96.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	100.8	174.2	-173.2	4.3	0	0	0	110.2	N583 V584 G605 E607 T645 E646 G648 E649	N583-N603 WeakPolarHBondContact CB-OD1 3.37Å; N583-N603 CarbonylContact O-C 3.28Å; N583-N603 WeakPolarHBondContact O-CA 3.35Å; N583-N603 PolarHBondContact O-OD1 3.37Å; V584-N603 HydrophobicContact CG2-CB 4.25Å; N603-G605 VanDerWaalsContact C-N 3.33Å; N603-G605 WeakPolarHBondContact OD1-CA 3.42Å; N603-G605 PolarHBondContact OD1-N 3.1Å; N603-E607 PolarHBondContact ND2-O 3.5Å; N603-T645 PolarHBondContact ND2-O 3.09Å; N603-E646 VanDerWaalsContact CB-O 3.3Å; N603-E646 WeakPolarHBondContact CB-O 3.3Å; N603-E646 VanDerWaalsContact ND2-C 3.35Å; N603-E646 PolarHBondContact ND2-O 3.01Å; N603-G648 VanDerWaalsContact O-CA 3.24Å; N603-G648 WeakPolarHBondContact O-CA 3.49Å; N603-G648 PolarHBondContact O-N 3.4Å; N603-E649 PolarHBondContact N-O 3.06Å
604	F	97.6	Very high	97	Very high	1 Å²	1	39.6 Å²	39.6	0%	0.004	20%	0.195	C	C	.	.			trans	-84.8	-9.2	170.6	-70.9	-72.2	0	0	0	112.9	L412 T416 A421 Y458 A461 I462 M465 N583 F585 I602	L412-F604 HydrophobicContact CD2-CE1 4.02Å; L412-F604 HydrophobicContact CD2-CZ 4.39Å; T416-F604 CarbonylContact C-O 3.59Å; T416-F604 VanDerWaalsContact C-O 3.27Å; T416-F604 WeakPolarHBondContact CB-O 3.41Å; A421-F604 HydrophobicContact CB-CD2 3.67Å; A421-F604 HydrophobicContact CB-CE2 3.56Å; A421-F604 HydrophobicContact CB-CZ 4.32Å; Y458-F604 HydrophobicContact CD1-CD1 4.3Å; Y458-F604 VanDerWaalsContact CE1-O 3.29Å; Y458-F604 WeakPolarHBondContact CE1-O 3.3Å; Y458-F604 PolarHBondContact OH-O 3.25Å; A461-F604 HydrophobicContact CB-CE1 4.42Å; I462-F604 HydrophobicContact CG1-CE1 4.13Å; M465-F604 HydrophobicContact CB-CZ 4.47Å; M465-F604 HydrophobicContact CE-CZ 4.03Å; M465-F604 HydrophobicContact SD-CE2 3.97Å; M465-F604 HydrophobicContact SD-CZ 3.73Å; N583-F604 PolarHBondContact O-N 2.8Å; F585-F604 HydrophobicContact CB-CD2 4.19Å; F585-F604 HydrophobicContact CB-CE2 4.22Å; F585-F604 HydrophobicContact CD1-CE2 4.38Å; I602-F604 HydrophobicContact CB-CD2 4.33Å; I602-F604 HydrophobicContact CB-CE2 3.88Å; I602-F604 HydrophobicContact CB-CZ 4.4Å; I602-F604 HydrophobicContact CD1-CE2 4.43Å; I602-F604 HydrophobicContact CG2-CD2 3.99Å; I602-F604 HydrophobicContact CG2-CE1 4.17Å; I602-F604 HydrophobicContact CG2-CE2 3.54Å; I602-F604 HydrophobicContact CG2-CG 4.48Å; I602-F604 HydrophobicContact CG2-CZ 3.65Å
605	G	95.1	Very high	96.9	Very high	2 Å²	2	42.6 Å²	42.6	2%	0.021	23%	0.225	C	C	.	.	S	Bend	trans	-66	164.5	175.6	0	0	0	0	0	112.9	Y458 N583 N603 E607 A647	Y458-G605 PolarHBondContact OH-O 3.46Å; N583-G605 PolarHBondContact O-N 3.1Å; N583-G605 VanDerWaalsContact O-N 3.09Å; N583-G605 WeakPolarHBondContact OD1-CA 3.49Å; N603-G605 VanDerWaalsContact C-N 3.33Å; N603-G605 WeakPolarHBondContact OD1-CA 3.42Å; N603-G605 PolarHBondContact OD1-N 3.1Å; G605-E607 VanDerWaalsContact C-N 3.32Å; G605-A647 WeakPolarHBondContact O-CA 3.3Å; G605-A647 WeakPolarHBondContact O-CB 3.45Å
606	K	94.2	Very high	97	Very high	166 Å²	166	39.2 Å²	39.2	72%	0.722	21%	0.212	S	C	*	.	S	Bend	trans	-87.2	-4.1	-179.3	-62	-179.5	-178.6	178.2	0	113.5	A647	K606-A647 VanDerWaalsContact C-CB 3.49Å
607	E	93.7	Very high	97	Very high	146 Å²	146	45.5 Å²	45.5	68%	0.682	24%	0.238	S	C	*	.	S	Bend	trans	-129.6	165.8	-174.3	-62.7	-174.8	178.5	0	0	111.2	N603 G605	N603-E607 PolarHBondContact ND2-O 3.5Å; G605-E607 VanDerWaalsContact C-N 3.32Å
608	F	96.3	Very high	96.9	Very high	112 Å²	112	46.4 Å²	46.4	49%	0.491	24%	0.243	S	C	.	.			trans	-60.4	136.1	170.9	176.3	-90.8	0	0	0	111.1	T610 Q644 E646	F608-T610 WeakPolarHBondContact CE1-OG1 3.14Å; F608-Q644 HydrophobicContact CE2-CB 3.91Å; F608-Q644 HydrophobicContact CE2-CG 4.49Å; F608-Q644 HydrophobicContact CZ-CB 3.62Å; F608-Q644 HydrophobicContact CZ-CG 3.71Å; F608-E646 HydrophobicContact CD2-CG 4.33Å
609	S	96.9	Very high	96.8	Very high	11 Å²	11	46.6 Å²	46.6	8%	0.077	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	149.3	177.2	-171.6	0	0	0	0	112.1	T645	S609-T645 PolarHBondContact N-O 3.06Å; S609-T645 PolarHBondContact O-N 2.83Å
610	T	97.8	Very high	96.6	Very high	65 Å²	65	48.6 Å²	48.6	40%	0.399	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	112.9	169.1	-64	0	0	0	0	108.6	F608 R642 I643 Q644	F608-T610 WeakPolarHBondContact CE1-OG1 3.14Å; T610-R642 HydrophobicContact CG2-CB 4.38Å; T610-R642 HydrophobicContact CG2-CG 3.63Å; T610-I643 CarbonylContact C-O 3.59Å; T610-I643 WeakPolarHBondContact CA-O 3.33Å; T610-Q644 HydrophobicContact CG2-CG 4.49Å
611	T	97.7	Very high	96.5	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	126.1	179.3	-56.3	0	0	0	0	110.4	L579 L613 I643	L579-T611 HydrophobicContact CD1-CG2 4.44Å; L579-T611 HydrophobicContact CD2-CG2 3.98Å; T611-L613 HydrophobicContact CG2-CD2 3.86Å; T611-L613 HydrophobicContact CG2-CG 3.95Å; T611-I643 PolarHBondContact N-O 2.78Å; T611-I643 PolarHBondContact O-N 3.34Å
612	D	97.7	Very high	96.4	Very high	94 Å²	94	60.9 Å²	60.9	50%	0.503	31%	0.31	S	S	.	.			trans	-108.2	111.6	175.7	-177	-4.5	0	0	0	110.4	S614 S641	D612-S614 WeakPolarHBondContact OD1-CB 3.46Å; D612-S614 PolarHBondContact OD1-N 3.31Å; D612-S614 PolarHBondContact OD1-OG 3.46Å; D612-S641 WeakPolarHBondContact CB-O 3.25Å; D612-S641 WeakPolarHBondContact OD1-CA 3.42Å
613	L	97.5	Very high	96.3	Very high	4 Å²	4	60.9 Å²	60.9	2%	0.021	31%	0.31	C	S	.	.			trans	-109.1	24.1	176.9	-56.5	-178.8	0	0	0	112.3	V578 L579 L599 T611 A615 V616 L619 K640 I643	V578-L613 HydrophobicContact CG1-CD1 4.31Å; V578-L613 HydrophobicContact CG1-CD2 3.82Å; L579-L613 HydrophobicContact CB-CD2 3.88Å; L579-L613 HydrophobicContact CD1-CD2 4.01Å; L579-L613 HydrophobicContact CG-CD2 4.5Å; L599-L613 HydrophobicContact CD1-CD1 4.16Å; L599-L613 HydrophobicContact CD2-CD1 3.7Å; T611-L613 HydrophobicContact CG2-CD2 3.86Å; T611-L613 HydrophobicContact CG2-CG 3.95Å; L613-A615 PolarHBondContact O-N 3.35Å; L613-V616 HydrophobicContact CB-CG2 4.15Å; L613-V616 HydrophobicContact CD2-CG2 4.44Å; L613-V616 WeakPolarHBondContact O-CB 3.26Å; L613-V616 PolarHBondContact O-N 3.1Å; L613-L619 HydrophobicContact CB-CD1 4.12Å; L613-L619 HydrophobicContact CD1-CD1 3.78Å; L613-K640 WeakPolarHBondContact CA-O 3.24Å; L613-K640 PolarHBondContact N-O 3.16Å; L613-I643 HydrophobicContact CD1-CD1 3.87Å; L613-I643 HydrophobicContact CG-CD1 4.37Å
614	S	96.5	Very high	96.2	Very high	59 Å²	59	66.8 Å²	66.8	41%	0.413	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-31.7	-179.6	-60.1	0	0	0	0	113.1	D612 V616 S641	D612-S614 WeakPolarHBondContact OD1-CB 3.46Å; D612-S614 PolarHBondContact OD1-N 3.31Å; D612-S614 PolarHBondContact OD1-OG 3.46Å; S614-V616 VanDerWaalsContact C-N 3.28Å; S614-V616 PolarHBondContact O-N 2.92Å; S614-S641 WeakPolarHBondContact OG-CA 3.45Å; S614-S641 WeakPolarHBondContact OG-CB 3.5Å
615	A	95	Very high	96.3	Very high	93 Å²	93	66.8 Å²	66.8	77%	0.769	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-21.1	178.3	0	0	0	0	0	113.6	L613 K617	L613-A615 PolarHBondContact O-N 3.35Å; A615-K617 PolarHBondContact O-N 3.12Å
616	V	96	Very high	96.4	Very high	16 Å²	16	68 Å²	68	10%	0.097	34%	0.338	C	S	.	.			trans	-80.1	104.1	178.4	-171.7	0	0	0	0	108.6	V578 L613 S614 E618 L619 K640 Y661	V578-V616 HydrophobicContact CG1-CG2 3.88Å; L613-V616 HydrophobicContact CB-CG2 4.15Å; L613-V616 HydrophobicContact CD2-CG2 4.44Å; L613-V616 WeakPolarHBondContact O-CB 3.26Å; L613-V616 PolarHBondContact O-N 3.1Å; S614-V616 VanDerWaalsContact C-N 3.28Å; S614-V616 PolarHBondContact O-N 2.92Å; V616-E618 VanDerWaalsContact C-N 3.33Å; V616-L619 HydrophobicContact CB-CD1 3.98Å; V616-L619 HydrophobicContact CB-CG 4.22Å; V616-L619 HydrophobicContact CG1-CB 4.28Å; V616-L619 HydrophobicContact CG1-CD1 3.84Å; V616-L619 HydrophobicContact CG1-CG 3.69Å; V616-L619 HydrophobicContact CG2-CD1 4.48Å; V616-K640 PolarHBondContact O-NZ 3.01Å; V616-Y661 HydrophobicContact CG1-CD2 3.93Å; V616-Y661 HydrophobicContact CG1-CE2 3.86Å
617	K	95.1	Very high	96.5	Very high	185 Å²	185	60.7 Å²	60.7	80%	0.804	31%	0.306	S	S	*	.	S	Bend	trans	-74.1	-28.4	-171.5	-66.4	178.8	-176.5	172.3	0	112.3	A615 L619	A615-K617 PolarHBondContact O-N 3.12Å; K617-L619 VanDerWaalsContact C-N 3.31Å
618	E	95.7	Very high	96.7	Very high	19 Å²	19	54 Å²	54	9%	0.089	28%	0.276	C	S	.	.	S	Bend	trans	-73.8	-23.1	-176.3	-61.3	83.1	179.9	0	0	112.5	V616 T659 S664 H665	V616-E618 VanDerWaalsContact C-N 3.33Å; E618-T659 HydrophobicContact CB-CG2 4.17Å; E618-T659 HydrophobicContact CG-CG2 3.83Å; E618-S664 WeakPolarHBondContact OE1-CB 3.05Å; E618-S664 PolarHBondContact OE1-OG 3.5Å; E618-H665 IonicContact OE1-CE1 3.44Å; E618-H665 PolarHBondContact OE1-CE1 3.44Å; E618-H665 IonicContact OE1-ND1 3.81Å; E618-H665 IonicContact OE2-CE1 3.75Å
619	L	96.3	Very high	96.7	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.021	26%	0.257	C	S	.	.	S	Bend	trans	-79.8	137	177	-69.8	178.8	0	0	0	112.2	L588 L599 L613 V616 K617 K640 Y655	L588-L619 HydrophobicContact CD2-CD2 4.1Å; L599-L619 HydrophobicContact CD2-CD1 4.22Å; L613-L619 HydrophobicContact CB-CD1 4.12Å; L613-L619 HydrophobicContact CD1-CD1 3.78Å; V616-L619 HydrophobicContact CB-CD1 3.98Å; V616-L619 HydrophobicContact CB-CG 4.22Å; V616-L619 HydrophobicContact CG1-CB 4.28Å; V616-L619 HydrophobicContact CG1-CD1 3.84Å; V616-L619 HydrophobicContact CG1-CG 3.69Å; V616-L619 HydrophobicContact CG2-CD1 4.48Å; K617-L619 VanDerWaalsContact C-N 3.31Å; L619-K640 HydrophobicContact CB-CD 4.2Å; L619-K640 PolarHBondContact O-NZ 3.22Å; L619-Y655 HydrophobicContact CD2-CD1 4.41Å; L619-Y655 HydrophobicContact CD2-CD2 4.43Å; L619-Y655 HydrophobicContact CD2-CE1 3.8Å; L619-Y655 HydrophobicContact CD2-CE2 3.8Å; L619-Y655 VanDerWaalsContact CD2-CZ 3.46Å
620	P	95.8	Very high	96.5	Very high	43 Å²	43	50.7 Å²	50.7	28%	0.279	26%	0.263	S	S	.	.			trans	-65.9	160	173.4	28.9	-33.6	0	0	0	111.5	L623 K640 Y655	P620-L623 HydrophobicContact CG-CD2 3.87Å; P620-K640 WeakPolarHBondContact O-CD 3.11Å; P620-Y655 HydrophobicContact CG-CD2 3.99Å; P620-Y655 HydrophobicContact CG-CG 4.18Å
621	Y	95.2	Very high	96.1	Very high	131 Å²	131	50.2 Å²	50.2	51%	0.514	27%	0.266	S	S	.	.	S	Bend	trans	-64.7	-40.8	-177.7	-177.5	-102.7	0	0	0	112.8	Q639 K640	Y621-Q639 HydrophobicContact CE1-CG 3.91Å; Y621-Q639 WeakPolarHBondContact O-CA 3.12Å; Y621-Q639 PolarHBondContact OH-NE2 2.99Å; Y621-Q639 VanDerWaalsContact OH-NE2 3.16Å; Y621-Q639 PolarHBondContact OH-OE1 3.38Å; Y621-K640 PolarHBondContact O-N 3.12Å
622	E	96.3	Very high	95.7	Very high	127 Å²	127	57 Å²	57	59%	0.593	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	137	177.1	-62.1	-168.9	157.9	0	0	110.8	V637	E622-V637 HydrophobicContact CB-CG1 3.85Å; E622-V637 HydrophobicContact CG-CG1 4.34Å
623	L	96.8	Very high	95.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	119.1	-174.4	-72.5	176	0	0	0	109.1	L599 P620 V637 F638 K640 I643 I653 Y655	L599-L623 HydrophobicContact CD2-CD1 3.86Å; P620-L623 HydrophobicContact CG-CD2 3.87Å; L623-V637 CarbonylContact O-C 3.45Å; L623-V637 WeakPolarHBondContact O-CA 3.43Å; L623-F638 PolarHBondContact N-O 3.39Å; L623-F638 PolarHBondContact O-N 2.87Å; L623-K640 HydrophobicContact CD1-CB 3.77Å; L623-K640 HydrophobicContact CG-CB 4.39Å; L623-I643 HydrophobicContact CD1-CD1 3.74Å; L623-I643 HydrophobicContact CD1-CG1 4.43Å; L623-I653 HydrophobicContact CB-CG2 3.65Å; L623-I653 HydrophobicContact CD2-CG2 3.92Å; L623-I653 HydrophobicContact CG-CG2 4.24Å; L623-Y655 HydrophobicContact CD2-CD1 4.41Å; L623-Y655 HydrophobicContact CD2-CG 4.37Å
624	R	97.7	Very high	95.3	Very high	124 Å²	124	56.2 Å²	56.2	47%	0.468	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.6	-178.7	-175.7	179.6	-63.4	-82	-2.2	110.6	L626 Q635 V637 I653 R654	R624-L626 PolarHBondContact O-N 3Å; R624-Q635 PolarHBondContact NH1-O 3.47Å; R624-V637 HydrophobicContact CB-CG2 4.39Å; R624-V637 HydrophobicContact CG-CG2 4.37Å; R624-I653 WeakPolarHBondContact O-CA 3.35Å; R624-R654 PolarHBondContact O-N 3.17Å; R624-R654 VanDerWaalsContact O-N 3.12Å
625	V	98.2	Very high	95.3	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	116	173.4	-179	0	0	0	0	108.9	M627 N633 Q635 K636 F638 L651 I653	V625-M627 VanDerWaalsContact CG1-C 3.46Å; V625-M627 WeakPolarHBondContact CG1-O 3.34Å; V625-N633 WeakPolarHBondContact CB-O 3.38Å; V625-N633 VanDerWaalsContact CG1-O 3.32Å; V625-N633 WeakPolarHBondContact CG1-O 3.28Å; V625-Q635 WeakPolarHBondContact O-CA 3.42Å; V625-Q635 PolarHBondContact O-N 2.79Å; V625-K636 WeakPolarHBondContact CG2-O 3.35Å; V625-K636 PolarHBondContact N-O 3.37Å; V625-F638 HydrophobicContact CG2-CD2 3.69Å; V625-F638 HydrophobicContact CG2-CE2 3.66Å; V625-L651 HydrophobicContact CG1-CD2 4.27Å; V625-L651 HydrophobicContact CG2-CD1 4.47Å; V625-L651 HydrophobicContact CG2-CD2 4.46Å; V625-I653 HydrophobicContact CG2-CG1 4.25Å
626	L	97.6	Very high	95.3	Very high	28 Å²	28	57.6 Å²	57.6	15%	0.147	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	-45.7	170.6	176.5	61.3	0	0	0	109.8	F559 L563 Y598 R624 Q635 V652 R654	F559-L626 HydrophobicContact CZ-CD1 4.46Å; F559-L626 HydrophobicContact CZ-CD2 4.25Å; F559-L626 HydrophobicContact CZ-CG 4Å; L563-L626 HydrophobicContact CD1-CD2 3.76Å; L563-L626 HydrophobicContact CD2-CD2 4.06Å; Y598-L626 HydrophobicContact CE1-CD2 3.95Å; R624-L626 PolarHBondContact O-N 3Å; L626-Q635 PolarHBondContact O-NE2 3.18Å; L626-V652 WeakPolarHBondContact CB-O 3.2Å; L626-V652 HydrophobicContact CD2-CG1 4.43Å; L626-V652 PolarHBondContact N-O 3.15Å; L626-R654 HydrophobicContact CB-CB 4.2Å; L626-R654 HydrophobicContact CD2-CB 4.48Å
627	M	97.1	Very high	95.4	Very high	12 Å²	12	59.5 Å²	59.5	6%	0.059	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	144.1	178.9	164.2	-83.4	-162.9	0	0	110.2	L464 Q556 F559 L560 V625 N634 V652	L464-M627 HydrophobicContact CD1-CE 4.16Å; L464-M627 HydrophobicContact CD1-SD 4.02Å; Q556-M627 HydrophobicContact CB-CE 4.44Å; Q556-M627 HydrophobicContact CG-CE 3.07Å; F559-M627 HydrophobicContact CD1-CB 3.97Å; F559-M627 HydrophobicContact CD1-CG 3.76Å; F559-M627 HydrophobicContact CE1-CB 3.38Å; F559-M627 HydrophobicContact CE1-CG 3.71Å; F559-M627 HydrophobicContact CZ-CB 3.92Å; L560-M627 HydrophobicContact CD1-CE 3.88Å; L560-M627 HydrophobicContact CD2-CE 3.88Å; L560-M627 HydrophobicContact CD2-SD 4.15Å; L560-M627 HydrophobicContact CG-CE 3.8Å; V625-M627 VanDerWaalsContact CG1-C 3.46Å; V625-M627 WeakPolarHBondContact CG1-O 3.34Å; M627-N634 WeakPolarHBondContact CA-OD1 3.18Å; M627-V652 PolarHBondContact N-O 3.01Å; M627-V652 PolarHBondContact O-N 2.72Å; M627-V652 HydrophobicContact SD-CB 4.4Å; M627-V652 HydrophobicContact SD-CG2 3.85Å
628	S	97.2	Very high	95.5	Very high	7 Å²	7	51 Å²	51	5%	0.049	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	150.5	169.8	172.7	0	0	0	0	109.8	N630 N634 E649 G650 L651	S628-N630 WeakPolarHBondContact CB-O 3.45Å; S628-N630 PolarHBondContact O-N 2.79Å; S628-N630 PolarHBondContact OG-N 2.98Å; S628-N630 PolarHBondContact OG-O 3.01Å; S628-N630 VanDerWaalsContact OG-O 3.08Å; S628-N634 PolarHBondContact N-OD1 2.83Å; S628-E649 PolarHBondContact OG-OE1 3.12Å; S628-G650 CarbonylContact C-O 3.53Å; S628-G650 VanDerWaalsContact CA-O 3.3Å; S628-G650 WeakPolarHBondContact CA-O 3.28Å; S628-L651 VanDerWaalsContact CB-CD2 3.44Å; S628-L651 WeakPolarHBondContact OG-CD2 3.41Å
629	T	95.8	Very high	95.6	Very high	16 Å²	16	54.3 Å²	54.3	10%	0.098	27%	0.271	C	S	.	.	S	Bend	trans	-66.2	-19.5	167.2	63.3	0	0	0	0	112.8	R460 L464 G648 E649 G650	R460-T629 HydrophobicContact CB-CG2 3.75Å; L464-T629 HydrophobicContact CB-CG2 4.46Å; L464-T629 HydrophobicContact CD1-CG2 3.81Å; T629-G648 PolarHBondContact OG1-O 2.98Å; T629-E649 VanDerWaalsContact OG1-CA 3.29Å; T629-E649 WeakPolarHBondContact OG1-CA 3.36Å; T629-G650 PolarHBondContact N-O 2.96Å; T629-G650 PolarHBondContact OG1-N 3.5Å
630	N	93.4	Very high	95.6	Very high	36 Å²	36	55.5 Å²	55.5	19%	0.193	28%	0.276	C	S	.	.	S	Bend	trans	-102.6	106.3	164.5	-177.6	-18.3	0	0	0	109.2	S628 N632 N633 E646 E649	S628-N630 WeakPolarHBondContact CB-O 3.45Å; S628-N630 PolarHBondContact O-N 2.79Å; S628-N630 PolarHBondContact OG-N 2.98Å; S628-N630 PolarHBondContact OG-O 3.01Å; S628-N630 VanDerWaalsContact OG-O 3.08Å; N630-N632 PolarHBondContact O-N 3.24Å; N630-N632 WeakPolarHBondContact OD1-CB 3.47Å; N630-N632 PolarHBondContact OD1-N 3.07Å; N630-N632 PolarHBondContact OD1-ND2 3.05Å; N630-N633 PolarHBondContact O-N 3.45Å; N630-E646 PolarHBondContact ND2-OE2 3.23Å; N630-E649 HydrophobicContact CB-CG 4.19Å
631	A	88.8	Confident	95.6	Very high	56 Å²	56	55.1 Å²	55.1	46%	0.463	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-56.6	-22.4	-172.8	0	0	0	0	0	114.6	N633 N634	A631-N633 PolarHBondContact O-N 3.04Å; A631-N634 VanDerWaalsContact O-CB 3.31Å; A631-N634 WeakPolarHBondContact O-CB 3.2Å; A631-N634 PolarHBondContact O-N 3.33Å; A631-N634 VanDerWaalsContact O-N 3.16Å; A631-N634 PolarHBondContact O-ND2 3.39Å
632	N	90.5	Very high	95.7	Very high	142 Å²	142	56 Å²	56	76%	0.759	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-64.7	-23.7	176.5	-66.4	-34.4	0	0	0	113.4	N630	N630-N632 PolarHBondContact O-N 3.24Å; N630-N632 WeakPolarHBondContact OD1-CB 3.47Å; N630-N632 PolarHBondContact OD1-N 3.07Å; N630-N632 PolarHBondContact OD1-ND2 3.05Å
633	N	93.8	Very high	95.8	Very high	16 Å²	16	49.9 Å²	49.9	9%	0.086	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-93.9	0.5	178.1	-74.3	-35.4	0	0	0	112.9	V625 N630 A631 Q635 K636 E649 L651	V625-N633 WeakPolarHBondContact CB-O 3.38Å; V625-N633 VanDerWaalsContact CG1-O 3.32Å; V625-N633 WeakPolarHBondContact CG1-O 3.28Å; N630-N633 PolarHBondContact O-N 3.45Å; A631-N633 PolarHBondContact O-N 3.04Å; N633-Q635 PolarHBondContact O-N 3.06Å; N633-K636 HydrophobicContact CB-CD 4.44Å; N633-K636 WeakPolarHBondContact O-CB 3.34Å; N633-K636 PolarHBondContact O-N 3.03Å; N633-K636 WeakPolarHBondContact OD1-CD 3.18Å; N633-K636 PolarHBondContact OD1-NZ 2.94Å; N633-E649 PolarHBondContact ND2-OE1 3.46Å; N633-E649 PolarHBondContact ND2-OE2 3Å; N633-L651 HydrophobicContact CB-CD2 4.48Å
634	N	93.4	Very high	95.8	Very high	66 Å²	66	52.2 Å²	52.2	35%	0.353	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	137.4	173.1	-72.7	-18.7	0	0	0	111.1	M627 S628 A631 K636	M627-N634 WeakPolarHBondContact CA-OD1 3.18Å; S628-N634 PolarHBondContact N-OD1 2.83Å; A631-N634 VanDerWaalsContact O-CB 3.31Å; A631-N634 WeakPolarHBondContact O-CB 3.2Å; A631-N634 PolarHBondContact O-N 3.33Å; A631-N634 VanDerWaalsContact O-N 3.16Å; A631-N634 PolarHBondContact O-ND2 3.39Å; N634-K636 PolarHBondContact O-N 3.09Å
635	Q	94.9	Very high	95.9	Very high	97 Å²	97	46.3 Å²	46.3	45%	0.453	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	-0.2	-179.4	-56.4	-59.4	-48.2	0	0	115.9	R624 V625 L626 N633	R624-Q635 PolarHBondContact NH1-O 3.47Å; V625-Q635 WeakPolarHBondContact O-CA 3.42Å; V625-Q635 PolarHBondContact O-N 2.79Å; L626-Q635 PolarHBondContact O-NE2 3.18Å; N633-Q635 PolarHBondContact O-N 3.06Å
636	K	96.5	Very high	95.8	Very high	84 Å²	84	51.1 Å²	51.1	37%	0.365	26%	0.259	S	S	.	.			trans	-63.4	146.7	175.2	-167.9	169.1	174.8	179.1	0	110.2	V625 N633 N634 F638	V625-K636 WeakPolarHBondContact CG2-O 3.35Å; V625-K636 PolarHBondContact N-O 3.37Å; N633-K636 HydrophobicContact CB-CD 4.44Å; N633-K636 WeakPolarHBondContact O-CB 3.34Å; N633-K636 PolarHBondContact O-N 3.03Å; N633-K636 WeakPolarHBondContact OD1-CD 3.18Å; N633-K636 PolarHBondContact OD1-NZ 2.94Å; N634-K636 PolarHBondContact O-N 3.09Å; K636-F638 HydrophobicContact CD-CE1 4.03Å; K636-F638 HydrophobicContact CD-CE2 4.18Å; K636-F638 HydrophobicContact CD-CZ 3.66Å; K636-F638 HydrophobicContact CG-CE1 4.49Å; K636-F638 HydrophobicContact CG-CE2 4.36Å; K636-F638 HydrophobicContact CG-CZ 4.22Å
637	V	97.3	Very high	95.8	Very high	56 Å²	56	51 Å²	51	34%	0.339	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123.8	175.4	-178.8	0	0	0	0	108	E622 L623 R624	E622-V637 HydrophobicContact CB-CG1 3.85Å; E622-V637 HydrophobicContact CG-CG1 4.34Å; L623-V637 CarbonylContact O-C 3.45Å; L623-V637 WeakPolarHBondContact O-CA 3.43Å; R624-V637 HydrophobicContact CB-CG2 4.39Å; R624-V637 HydrophobicContact CG-CG2 4.37Å
638	F	97.3	Very high	95.7	Very high	8 Å²	8	50.6 Å²	50.6	4%	0.035	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	149.9	172.5	-69.6	-69.9	0	0	0	110	L623 V625 K636 I643 Q644 L651	L623-F638 PolarHBondContact N-O 3.39Å; L623-F638 PolarHBondContact O-N 2.87Å; V625-F638 HydrophobicContact CG2-CD2 3.69Å; V625-F638 HydrophobicContact CG2-CE2 3.66Å; K636-F638 HydrophobicContact CD-CE1 4.03Å; K636-F638 HydrophobicContact CD-CE2 4.18Å; K636-F638 HydrophobicContact CD-CZ 3.66Å; K636-F638 HydrophobicContact CG-CE1 4.49Å; K636-F638 HydrophobicContact CG-CE2 4.36Å; K636-F638 HydrophobicContact CG-CZ 4.22Å; F638-I643 HydrophobicContact CB-CG1 4.19Å; F638-I643 HydrophobicContact CD2-CG2 4.29Å; F638-I643 HydrophobicContact CG-CG2 4.48Å; F638-Q644 HydrophobicContact CE1-CB 3.97Å; F638-Q644 HydrophobicContact CE1-CG 4.5Å; F638-Q644 HydrophobicContact CZ-CB 4.43Å; F638-L651 HydrophobicContact CD2-CD1 4.39Å; F638-L651 HydrophobicContact CE2-CD1 3.96Å
639	Q	97.5	Very high	95.7	Very high	88 Å²	88	50.4 Å²	50.4	41%	0.411	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	140.8	162.6	-66.8	178.2	-14.5	0	0	107.9	Y621 S641 R642	Y621-Q639 HydrophobicContact CE1-CG 3.91Å; Y621-Q639 WeakPolarHBondContact O-CA 3.12Å; Y621-Q639 PolarHBondContact OH-NE2 2.99Å; Y621-Q639 VanDerWaalsContact OH-NE2 3.16Å; Y621-Q639 PolarHBondContact OH-OE1 3.38Å; Q639-S641 PolarHBondContact O-N 3.44Å; Q639-R642 CarbonylContact O-C 3.38Å; Q639-R642 VanDerWaalsContact O-C 3.28Å; Q639-R642 PolarHBondContact O-N 3.01Å
640	K	96.1	Very high	95.9	Very high	29 Å²	29	49.7 Å²	49.7	13%	0.126	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.9	180	71.6	169.8	177	-177.9	0	113.9	L613 V616 L619 P620 Y621 L623 R642	L613-K640 WeakPolarHBondContact CA-O 3.24Å; L613-K640 PolarHBondContact N-O 3.16Å; V616-K640 PolarHBondContact O-NZ 3.01Å; L619-K640 HydrophobicContact CB-CD 4.2Å; L619-K640 PolarHBondContact O-NZ 3.22Å; P620-K640 WeakPolarHBondContact O-CD 3.11Å; Y621-K640 PolarHBondContact O-N 3.12Å; L623-K640 HydrophobicContact CD1-CB 3.77Å; L623-K640 HydrophobicContact CG-CB 4.39Å; K640-R642 VanDerWaalsContact C-N 3.29Å
641	S	97	Very high	96.1	Very high	35 Å²	35	48 Å²	48	25%	0.245	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-13.9	174.8	56.4	0	0	0	0	114.2	D612 S614 Q639	D612-S641 WeakPolarHBondContact CB-O 3.25Å; D612-S641 WeakPolarHBondContact OD1-CA 3.42Å; S614-S641 WeakPolarHBondContact OG-CA 3.45Å; S614-S641 WeakPolarHBondContact OG-CB 3.5Å; Q639-S641 PolarHBondContact O-N 3.44Å
642	R	97.4	Very high	96.6	Very high	148 Å²	148	45.3 Å²	45.3	56%	0.558	22%	0.224	S	C	*	.	B	Isolated β-bridge	trans	-152.3	72.3	-170.6	-165	-176.7	179	177.4	0.7	111.3	T610 Q639 K640 Q644	T610-R642 HydrophobicContact CG2-CB 4.38Å; T610-R642 HydrophobicContact CG2-CG 3.63Å; Q639-R642 CarbonylContact O-C 3.38Å; Q639-R642 VanDerWaalsContact O-C 3.28Å; Q639-R642 PolarHBondContact O-N 3.01Å; K640-R642 VanDerWaalsContact C-N 3.29Å; R642-Q644 HydrophobicContact CG-CG 4.3Å
643	I	98	Very high	97	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	121.4	171.7	-54.3	171.2	0	0	0	107.7	L599 V601 T610 T611 L613 L623 F638 L651 I653	L599-I643 HydrophobicContact CD2-CD1 4.07Å; V601-I643 HydrophobicContact CG2-CD1 4.49Å; T610-I643 CarbonylContact C-O 3.59Å; T610-I643 WeakPolarHBondContact CA-O 3.33Å; T611-I643 PolarHBondContact N-O 2.78Å; T611-I643 PolarHBondContact O-N 3.34Å; L613-I643 HydrophobicContact CD1-CD1 3.87Å; L613-I643 HydrophobicContact CG-CD1 4.37Å; L623-I643 HydrophobicContact CD1-CD1 3.74Å; L623-I643 HydrophobicContact CD1-CG1 4.43Å; F638-I643 HydrophobicContact CB-CG1 4.19Å; F638-I643 HydrophobicContact CD2-CG2 4.29Å; F638-I643 HydrophobicContact CG-CG2 4.48Å; I643-L651 HydrophobicContact CG2-CD1 3.65Å; I643-I653 HydrophobicContact CD1-CD1 4.31Å; I643-I653 HydrophobicContact CG2-CD1 4.28Å
644	Q	97.4	Very high	97.2	Very high	48 Å²	48	42.5 Å²	42.5	22%	0.224	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131.8	-173.3	-66.4	-175.3	-56.5	0	0	110.5	F608 T610 F638 R642	F608-Q644 HydrophobicContact CE2-CB 3.91Å; F608-Q644 HydrophobicContact CE2-CG 4.49Å; F608-Q644 HydrophobicContact CZ-CB 3.62Å; F608-Q644 HydrophobicContact CZ-CG 3.71Å; T610-Q644 HydrophobicContact CG2-CG 4.49Å; F638-Q644 HydrophobicContact CE1-CB 3.97Å; F638-Q644 HydrophobicContact CE1-CG 4.5Å; F638-Q644 HydrophobicContact CZ-CB 4.43Å; R642-Q644 HydrophobicContact CG-CG 4.3Å
645	T	97.8	Very high	97.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	132.4	-179.7	49.4	0	0	0	0	110.8	V601 N603 S609 E649 L651	V601-T645 HydrophobicContact CG1-CG2 4.2Å; N603-T645 PolarHBondContact ND2-O 3.09Å; S609-T645 PolarHBondContact N-O 3.06Å; S609-T645 PolarHBondContact O-N 2.83Å; T645-E649 WeakPolarHBondContact CA-OE2 3.32Å; T645-L651 HydrophobicContact CG2-CD1 3.64Å; T645-L651 HydrophobicContact CG2-CG 3.85Å
646	E	97.3	Very high	97.3	Very high	101 Å²	101	37.8 Å²	37.8	47%	0.472	18%	0.182	S	C	.	.			trans	-72.6	170.4	168.8	-65.7	175.4	172.4	0	0	111.6	N603 F608 N630 G648 E649	N603-E646 VanDerWaalsContact CB-O 3.3Å; N603-E646 WeakPolarHBondContact CB-O 3.3Å; N603-E646 VanDerWaalsContact ND2-C 3.35Å; N603-E646 PolarHBondContact ND2-O 3.01Å; F608-E646 HydrophobicContact CD2-CG 4.33Å; N630-E646 PolarHBondContact ND2-OE2 3.23Å; E646-G648 PolarHBondContact O-N 2.73Å; E646-E649 HydrophobicContact CB-CB 4.22Å; E646-E649 PolarHBondContact N-OE2 3.36Å; E646-E649 VanDerWaalsContact O-CB 3.26Å; E646-E649 WeakPolarHBondContact O-CB 3.36Å; E646-E649 PolarHBondContact O-N 3.44Å; E646-E649 VanDerWaalsContact O-N 3.1Å
647	A	96.5	Very high	97.2	Very high	25 Å²	25	34.9 Å²	34.9	21%	0.207	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	130.9	174.9	0	0	0	0	0	110.7	M457 G605 K606 E649	M457-A647 HydrophobicContact SD-CB 3.91Å; G605-A647 WeakPolarHBondContact O-CA 3.3Å; G605-A647 WeakPolarHBondContact O-CB 3.45Å; K606-A647 VanDerWaalsContact C-CB 3.49Å; A647-E649 PolarHBondContact O-N 3.11Å
648	G	96.1	Very high	96.9	Very high	4 Å²	4	38.8 Å²	38.8	4%	0.041	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	10.6	-174.1	0	0	0	0	0	114.5	N603 T629 E646	N603-G648 VanDerWaalsContact O-CA 3.24Å; N603-G648 WeakPolarHBondContact O-CA 3.49Å; N603-G648 PolarHBondContact O-N 3.4Å; T629-G648 PolarHBondContact OG1-O 2.98Å; E646-G648 PolarHBondContact O-N 2.73Å
649	E	97.8	Very high	96.7	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.019	20%	0.204	C	C	.	.			trans	-84.6	135.2	175	-167.2	177.4	-176.7	0	0	111.4	N603 S628 T629 N630 N633 T645 E646 A647 L651	N603-E649 PolarHBondContact N-O 3.06Å; S628-E649 PolarHBondContact OG-OE1 3.12Å; T629-E649 VanDerWaalsContact OG1-CA 3.29Å; T629-E649 WeakPolarHBondContact OG1-CA 3.36Å; N630-E649 HydrophobicContact CB-CG 4.19Å; N633-E649 PolarHBondContact ND2-OE1 3.46Å; N633-E649 PolarHBondContact ND2-OE2 3Å; T645-E649 WeakPolarHBondContact CA-OE2 3.32Å; E646-E649 HydrophobicContact CB-CB 4.22Å; E646-E649 PolarHBondContact N-OE2 3.36Å; E646-E649 VanDerWaalsContact O-CB 3.26Å; E646-E649 WeakPolarHBondContact O-CB 3.36Å; E646-E649 PolarHBondContact O-N 3.44Å; E646-E649 VanDerWaalsContact O-N 3.1Å; A647-E649 PolarHBondContact O-N 3.11Å; E649-L651 HydrophobicContact CG-CD2 4.29Å; E649-L651 WeakPolarHBondContact OE1-CD2 3.49Å
650	G	98.3	Very high	96.6	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	141.5	171	0	0	0	0	0	111.3	V601 S628 T629	V601-G650 CarbonylContact O-C 3.6Å; V601-G650 VanDerWaalsContact O-CA 3.3Å; V601-G650 WeakPolarHBondContact O-CA 3.15Å; S628-G650 CarbonylContact C-O 3.53Å; S628-G650 VanDerWaalsContact CA-O 3.3Å; S628-G650 WeakPolarHBondContact CA-O 3.28Å; T629-G650 PolarHBondContact N-O 2.96Å; T629-G650 PolarHBondContact OG1-N 3.5Å
651	L	98.7	Very high	96.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	131.5	-179.3	-53.4	179.1	0	0	0	110	I600 V601 V625 S628 N633 F638 I643 T645 E649 I653	I600-L651 WeakPolarHBondContact CA-O 3.32Å; V601-L651 HydrophobicContact CB-CB 4.4Å; V601-L651 PolarHBondContact N-O 2.83Å; V601-L651 VanDerWaalsContact N-O 3.07Å; V601-L651 PolarHBondContact O-N 3.17Å; V625-L651 HydrophobicContact CG1-CD2 4.27Å; V625-L651 HydrophobicContact CG2-CD1 4.47Å; V625-L651 HydrophobicContact CG2-CD2 4.46Å; S628-L651 VanDerWaalsContact CB-CD2 3.44Å; S628-L651 WeakPolarHBondContact OG-CD2 3.41Å; N633-L651 HydrophobicContact CB-CD2 4.48Å; F638-L651 HydrophobicContact CD2-CD1 4.39Å; F638-L651 HydrophobicContact CE2-CD1 3.96Å; I643-L651 HydrophobicContact CG2-CD1 3.65Å; T645-L651 HydrophobicContact CG2-CD1 3.64Å; T645-L651 HydrophobicContact CG2-CG 3.85Å; E649-L651 HydrophobicContact CG-CD2 4.29Å; E649-L651 WeakPolarHBondContact OE1-CD2 3.49Å; L651-I653 HydrophobicContact CB-CD1 4.32Å; L651-I653 HydrophobicContact CB-CG1 4.1Å; L651-I653 HydrophobicContact CD1-CD1 4.33Å
652	V	98.7	Very high	96.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	109.7	162	-176.3	0	0	0	0	107.5	L464 T468 L560 L563 F570 Y598 I600 L626 M627	L464-V652 HydrophobicContact CD1-CG2 3.96Å; L464-V652 HydrophobicContact CD2-CG2 4.49Å; L464-V652 HydrophobicContact CG-CG2 4.16Å; T468-V652 HydrophobicContact CG2-CG2 4.45Å; L560-V652 HydrophobicContact CD2-CG2 3.86Å; L563-V652 HydrophobicContact CD2-CG1 3.86Å; F570-V652 HydrophobicContact CZ-CG1 4.46Å; Y598-V652 HydrophobicContact CD1-CG1 4.01Å; I600-V652 HydrophobicContact CD1-CB 4.32Å; I600-V652 HydrophobicContact CD1-CG1 3.98Å; I600-V652 HydrophobicContact CD1-CG2 4.12Å; L626-V652 WeakPolarHBondContact CB-O 3.2Å; L626-V652 HydrophobicContact CD2-CG1 4.43Å; L626-V652 PolarHBondContact N-O 3.15Å; M627-V652 PolarHBondContact N-O 3.01Å; M627-V652 PolarHBondContact O-N 2.72Å; M627-V652 HydrophobicContact SD-CB 4.4Å; M627-V652 HydrophobicContact SD-CG2 3.85Å
653	I	98.6	Very high	96.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122.8	-177.8	-64.9	173	0	0	0	108.3	Y598 L599 V601 L623 R624 V625 I643 L651	Y598-I653 CarbonylContact C-O 3.53Å; Y598-I653 VanDerWaalsContact CA-O 3.31Å; Y598-I653 WeakPolarHBondContact CA-O 3.36Å; L599-I653 HydrophobicContact CB-CB 4.15Å; L599-I653 HydrophobicContact CB-CG2 4.44Å; L599-I653 HydrophobicContact CD2-CD1 4.07Å; L599-I653 PolarHBondContact N-O 2.82Å; L599-I653 WeakPolarHBondContact O-CB 3.29Å; L599-I653 PolarHBondContact O-N 2.81Å; V601-I653 HydrophobicContact CG2-CD1 4.21Å; L623-I653 HydrophobicContact CB-CG2 3.65Å; L623-I653 HydrophobicContact CD2-CG2 3.92Å; L623-I653 HydrophobicContact CG-CG2 4.24Å; R624-I653 WeakPolarHBondContact O-CA 3.35Å; V625-I653 HydrophobicContact CG2-CG1 4.25Å; I643-I653 HydrophobicContact CD1-CD1 4.31Å; I643-I653 HydrophobicContact CG2-CD1 4.28Å; L651-I653 HydrophobicContact CB-CD1 4.32Å; L651-I653 HydrophobicContact CB-CG1 4.1Å; L651-I653 HydrophobicContact CD1-CD1 4.33Å
654	R	97.6	Very high	96.4	Very high	100 Å²	100	38.4 Å²	38.4	38%	0.377	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	135.3	176.6	-176.5	179.1	63.4	-172.3	-1.1	109.9	E596 Y598 R624 L626	E596-R654 WeakPolarHBondContact OE2-CD 3.32Å; E596-R654 WeakPolarHBondContact OE2-CG 3.38Å; E596-R654 IonicContact OE2-NE 3.89Å; Y598-R654 HydrophobicContact CD1-CB 4.17Å; Y598-R654 HydrophobicContact CD1-CG 4.39Å; Y598-R654 HydrophobicContact CE1-CB 3.95Å; Y598-R654 HydrophobicContact CE1-CG 3.88Å; R624-R654 PolarHBondContact O-N 3.17Å; R624-R654 VanDerWaalsContact O-N 3.12Å; L626-R654 HydrophobicContact CB-CB 4.2Å; L626-R654 HydrophobicContact CD2-CB 4.48Å
655	Y	96.7	Very high	96.4	Very high	11 Å²	11	38.5 Å²	38.5	4%	0.043	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	161.2	175	67.3	-81.9	0	0	0	111.7	L588 E590 A597 L599 L619 P620 L623 T657	L588-Y655 HydrophobicContact CD2-CE1 4.22Å; E590-Y655 PolarHBondContact OE1-OH 3.3Å; E590-Y655 VanDerWaalsContact OE1-OH 3.13Å; A597-Y655 HydrophobicContact CB-CD1 4.43Å; A597-Y655 HydrophobicContact CB-CD2 4.29Å; A597-Y655 HydrophobicContact CB-CE1 3.89Å; A597-Y655 HydrophobicContact CB-CE2 3.75Å; A597-Y655 VanDerWaalsContact CB-CZ 3.5Å; A597-Y655 PolarHBondContact N-O 3Å; A597-Y655 WeakPolarHBondContact O-CD1 2.82Å; A597-Y655 PolarHBondContact O-N 3.18Å; A597-Y655 VanDerWaalsContact O-O 3.1Å; L599-Y655 HydrophobicContact CB-CD1 4.39Å; L599-Y655 HydrophobicContact CB-CE1 3.97Å; L619-Y655 HydrophobicContact CD2-CD1 4.41Å; L619-Y655 HydrophobicContact CD2-CD2 4.43Å; L619-Y655 HydrophobicContact CD2-CE1 3.8Å; L619-Y655 HydrophobicContact CD2-CE2 3.8Å; L619-Y655 VanDerWaalsContact CD2-CZ 3.46Å; P620-Y655 HydrophobicContact CG-CD2 3.99Å; P620-Y655 HydrophobicContact CG-CG 4.18Å; L623-Y655 HydrophobicContact CD2-CD1 4.41Å; L623-Y655 HydrophobicContact CD2-CG 4.37Å; Y655-T657 HydrophobicContact CD2-CG2 3.81Å; Y655-T657 HydrophobicContact CE2-CG2 3.49Å; Y655-T657 VanDerWaalsContact CE2-CG2 3.49Å
656	S	95.3	Very high	96.3	Very high	52 Å²	52	43.1 Å²	43.1	36%	0.364	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	115.4	-171.3	-158.8	0	0	0	0	109.5	K595 E596	K595-S656 WeakPolarHBondContact CD-OG 3.31Å; K595-S656 WeakPolarHBondContact CE-OG 3.43Å; K595-S656 VanDerWaalsContact CG-OG 3.28Å; K595-S656 WeakPolarHBondContact CG-OG 3.49Å; K595-S656 WeakPolarHBondContact O-CA 3.46Å; E596-S656 VanDerWaalsContact OE1-CB 3.26Å; E596-S656 WeakPolarHBondContact OE1-CB 3.38Å; E596-S656 PolarHBondContact OE1-OG 3.13Å
657	T	93.4	Very high	96.2	Very high	23 Å²	23	42.2 Å²	42.2	14%	0.141	24%	0.243	C	C	.	.			trans	-156.7	153.1	-178.5	-174.2	0	0	0	0	111.1	K595 Y655 T659 R660	K595-T657 PolarHBondContact O-N 3.14Å; Y655-T657 HydrophobicContact CD2-CG2 3.81Å; Y655-T657 HydrophobicContact CE2-CG2 3.49Å; Y655-T657 VanDerWaalsContact CE2-CG2 3.49Å; T657-T659 VanDerWaalsContact CG2-O 3.29Å; T657-T659 WeakPolarHBondContact CG2-O 3.44Å; T657-T659 PolarHBondContact OG1-N 3.32Å; T657-R660 PolarHBondContact O-NH2 2.87Å
658	Y	90.9	Very high	96.2	Very high	139 Å²	139	44.5 Å²	44.5	55%	0.545	25%	0.25	S	C	.	.	S	Bend	trans	-97.3	-13.9	166.3	-71.4	-72	0	0	0	112.7	K595 R660 E679	K595-Y658 HydrophobicContact CB-CE1 4.16Å; K595-Y658 HydrophobicContact CD-CE2 4.04Å; K595-Y658 HydrophobicContact CG-CD2 4.35Å; K595-Y658 HydrophobicContact CG-CE1 4.25Å; K595-Y658 HydrophobicContact CG-CE2 3.94Å; Y658-R660 PolarHBondContact O-N 3.39Å; Y658-E679 PolarHBondContact OH-OE2 2.91Å
659	T	94.2	Very high	96.3	Very high	84 Å²	84	44.9 Å²	44.9	52%	0.515	25%	0.252	S	S	.	.			trans	-76.9	114	175.5	-50.6	0	0	0	0	108.6	E618 T657	E618-T659 HydrophobicContact CB-CG2 4.17Å; E618-T659 HydrophobicContact CG-CG2 3.83Å; T657-T659 VanDerWaalsContact CG2-O 3.29Å; T657-T659 WeakPolarHBondContact CG2-O 3.44Å; T657-T659 PolarHBondContact OG1-N 3.32Å
660	R	95.4	Very high	96.3	Very high	17 Å²	17	47.3 Å²	47.3	6%	0.064	26%	0.261	C	S	.	.			trans	-93.3	150.5	179.6	-60.5	-65	156	-160.1	-3.4	111.8	L591 H594 T657 Y658 P663	L591-R660 PolarHBondContact O-NE 3.37Å; L591-R660 PolarHBondContact O-NH2 3.03Å; H594-R660 VanDerWaalsContact C-NH2 3.29Å; H594-R660 PolarHBondContact O-NH2 2.88Å; T657-R660 PolarHBondContact O-NH2 2.87Å; Y658-R660 PolarHBondContact O-N 3.39Å; R660-P663 HydrophobicContact CB-CG 4.13Å; R660-P663 WeakPolarHBondContact O-CD 2.77Å
661	Y	97.1	Very high	96.2	Very high	14 Å²	14	48.8 Å²	48.8	6%	0.055	27%	0.27	C	S	.	.	S	Bend	trans	-76.6	-40.7	177.8	-174.8	-98.7	0	0	0	112.4	C576 Y577 L588 E590 V616 P663 S664 H665 Q668	C576-Y661 HydrophobicContact CB-CD1 3.58Å; C576-Y661 HydrophobicContact CB-CE1 4.01Å; Y577-Y661 WeakPolarHBondContact O-CE1 3.4Å; Y577-Y661 PolarHBondContact O-OH 2.86Å; L588-Y661 VanDerWaalsContact CD1-CB 3.5Å; L588-Y661 HydrophobicContact CD1-CD1 4.23Å; L588-Y661 HydrophobicContact CD1-CD2 4.06Å; L588-Y661 HydrophobicContact CD1-CG 3.67Å; E590-Y661 PolarHBondContact OE1-N 2.74Å; E590-Y661 PolarHBondContact OE2-N 3.04Å; V616-Y661 HydrophobicContact CG1-CD2 3.93Å; V616-Y661 HydrophobicContact CG1-CE2 3.86Å; Y661-P663 VanDerWaalsContact C-CD 3.41Å; Y661-S664 PolarHBondContact O-N 3.31Å; Y661-H665 HydrophobicContact CD1-CB 3.81Å; Y661-H665 AromaticContact CD2-CE1 3.86Å; Y661-H665 AromaticContact CD2-ND1 3.47Å; Y661-H665 WeakPolarHBondContact CD2-ND1 3.35Å; Y661-H665 HydrophobicContact CE1-CB 3.38Å; Y661-H665 AromaticContact CE1-CG 3.62Å; Y661-H665 AromaticContact CE1-ND1 3.88Å; Y661-H665 HydrophobicContact CE2-CB 4.36Å; Y661-H665 AromaticContact CE2-CE1 3.44Å; Y661-H665 VanDerWaalsContact CE2-CE1 3.44Å; Y661-H665 WeakPolarHBondContact CE2-CE1 3.36Å; Y661-H665 AromaticContact CE2-CG 3.67Å; Y661-H665 AromaticContact CE2-ND1 3.27Å; Y661-H665 VanDerWaalsContact CE2-ND1 3.27Å; Y661-H665 WeakPolarHBondContact CE2-ND1 3.32Å; Y661-H665 AromaticContact CE2-NE2 3.91Å; Y661-H665 HydrophobicContact CG-CB 4.48Å; Y661-H665 AromaticContact CG-ND1 3.85Å; Y661-H665 AromaticContact CZ-CD2 3.73Å; Y661-H665 AromaticContact CZ-CE1 3.92Å; Y661-H665 AromaticContact CZ-CG 3.35Å; Y661-H665 AromaticContact CZ-ND1 3.49Å; Y661-H665 PolarHBondContact O-N 3.34Å; Y661-H665 PolarHBondContact O-ND1 2.9Å; Y661-H665 VanDerWaalsContact O-ND1 3.13Å; Y661-H665 PolarHBondContact OH-CD2 3.36Å; Y661-Q668 HydrophobicContact CE1-CB 4.33Å
662	H	95.6	Very high	96	Very high	22 Å²	22	49.3 Å²	49.3	10%	0.102	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-34.7	-172.5	77.7	75.5	0	0	0	116.6	W574 D592 S664 H665 C669	W574-H662 AromaticContact CD1-CD2 3.69Å; W574-H662 AromaticContact CD1-NE2 3.99Å; W574-H662 HydrophobicContact CD2-CB 4.1Å; W574-H662 AromaticContact CD2-CD2 3.88Å; W574-H662 AromaticContact CD2-CG 3.88Å; W574-H662 AromaticContact CE2-CD2 3.71Å; W574-H662 AromaticContact CE2-CE1 3.93Å; W574-H662 AromaticContact CE2-CG 3.81Å; W574-H662 AromaticContact CE2-ND1 3.96Å; W574-H662 AromaticContact CE2-NE2 3.79Å; W574-H662 HydrophobicContact CE3-CB 4.02Å; W574-H662 AromaticContact CG-CD2 3.88Å; W574-H662 AromaticContact CZ2-CE1 3.82Å; W574-H662 AromaticContact CZ2-ND1 3.76Å; W574-H662 HydrophobicContact CZ3-CB 4.32Å; W574-H662 AromaticContact NE1-CD2 3.57Å; W574-H662 AromaticContact NE1-NE2 3.48Å; W574-H662 PolarHBondContact NE1-NE2 3.09Å; D592-H662 IonicContact OD1-CD2 2.94Å; D592-H662 IonicContact OD1-CE1 3.6Å; D592-H662 IonicContact OD1-NE2 2.84Å; D592-H662 PolarHBondContact OD1-NE2 2.97Å; D592-H662 IonicContact OD2-CE1 3.7Å; D592-H662 IonicContact OD2-NE2 3.93Å; D592-H662 PolarHBondContact OD2-NE2 3.28Å; H662-S664 VanDerWaalsContact C-N 3.3Å; H662-S664 PolarHBondContact O-N 2.94Å; H662-H665 CarbonylContact O-C 3.37Å; H662-H665 PolarHBondContact O-N 3.21Å; H662-C669 WeakPolarHBondContact CA-SG 3.35Å; H662-C669 HydrophobicContact CB-CB 3.81Å; H662-C669 VanDerWaalsContact CB-SG 3.51Å
663	P	95.7	Very high	95.6	Very high	87 Å²	87	53.1 Å²	53.1	57%	0.565	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-32.8	-179.4	-21.3	34.3	0	0	0	113	R660 Y661	R660-P663 HydrophobicContact CB-CG 4.13Å; R660-P663 WeakPolarHBondContact O-CD 2.77Å; Y661-P663 VanDerWaalsContact C-CD 3.41Å
664	S	96.5	Very high	95.3	Very high	76 Å²	76	58 Å²	58	53%	0.531	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-18.6	178.2	-58.9	0	0	0	0	112.7	E618 Y661 H662 P666	E618-S664 WeakPolarHBondContact OE1-CB 3.05Å; E618-S664 PolarHBondContact OE1-OG 3.5Å; Y661-S664 PolarHBondContact O-N 3.31Å; H662-S664 VanDerWaalsContact C-N 3.3Å; H662-S664 PolarHBondContact O-N 2.94Å; S664-P666 VanDerWaalsContact C-CD 3.49Å
665	H	96.5	Very high	95.2	Very high	49 Å²	49	53.3 Å²	53.3	23%	0.227	30%	0.295	C	S	.	.			trans	-135.8	52.8	-168.8	-59.1	97.1	0	0	0	112.3	E618 Y661 H662 A667 Q668 C669	E618-H665 IonicContact OE1-CE1 3.44Å; E618-H665 PolarHBondContact OE1-CE1 3.44Å; E618-H665 IonicContact OE1-ND1 3.81Å; E618-H665 IonicContact OE2-CE1 3.75Å; Y661-H665 HydrophobicContact CD1-CB 3.81Å; Y661-H665 AromaticContact CD2-CE1 3.86Å; Y661-H665 AromaticContact CD2-ND1 3.47Å; Y661-H665 WeakPolarHBondContact CD2-ND1 3.35Å; Y661-H665 HydrophobicContact CE1-CB 3.38Å; Y661-H665 AromaticContact CE1-CG 3.62Å; Y661-H665 AromaticContact CE1-ND1 3.88Å; Y661-H665 HydrophobicContact CE2-CB 4.36Å; Y661-H665 AromaticContact CE2-CE1 3.44Å; Y661-H665 VanDerWaalsContact CE2-CE1 3.44Å; Y661-H665 WeakPolarHBondContact CE2-CE1 3.36Å; Y661-H665 AromaticContact CE2-CG 3.67Å; Y661-H665 AromaticContact CE2-ND1 3.27Å; Y661-H665 VanDerWaalsContact CE2-ND1 3.27Å; Y661-H665 WeakPolarHBondContact CE2-ND1 3.32Å; Y661-H665 AromaticContact CE2-NE2 3.91Å; Y661-H665 HydrophobicContact CG-CB 4.48Å; Y661-H665 AromaticContact CG-ND1 3.85Å; Y661-H665 AromaticContact CZ-CD2 3.73Å; Y661-H665 AromaticContact CZ-CE1 3.92Å; Y661-H665 AromaticContact CZ-CG 3.35Å; Y661-H665 AromaticContact CZ-ND1 3.49Å; Y661-H665 PolarHBondContact O-N 3.34Å; Y661-H665 PolarHBondContact O-ND1 2.9Å; Y661-H665 VanDerWaalsContact O-ND1 3.13Å; Y661-H665 PolarHBondContact OH-CD2 3.36Å; H662-H665 CarbonylContact O-C 3.37Å; H662-H665 PolarHBondContact O-N 3.21Å; H665-A667 VanDerWaalsContact C-N 3.25Å; H665-A667 PolarHBondContact O-N 2.96Å; H665-Q668 VanDerWaalsContact C-OE1 3.27Å; H665-Q668 VanDerWaalsContact CA-OE1 3.3Å; H665-Q668 HydrophobicContact CB-CB 4.5Å; H665-Q668 VanDerWaalsContact CB-OE1 3.22Å; H665-Q668 PolarHBondContact O-N 2.73Å; H665-Q668 VanDerWaalsContact O-N 3.12Å; H665-Q668 PolarHBondContact O-OE1 2.71Å; H665-Q668 VanDerWaalsContact O-OE1 3.13Å; H665-C669 PolarHBondContact O-SG 2.9Å; H665-C669 VanDerWaalsContact O-SG 3.41Å
666	P	95.1	Very high	95.1	Very high	97 Å²	97	53.3 Å²	53.3	63%	0.63	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-64.8	-27.8	-170.8	25.8	-35.5	0	0	0	113.5	S664 Q668 C669	S664-P666 VanDerWaalsContact C-CD 3.49Å; P666-Q668 VanDerWaalsContact C-N 3.25Å; P666-Q668 PolarHBondContact O-N 2.68Å; P666-C669 PolarHBondContact O-N 2.83Å
667	A	95.6	Very high	95.1	Very high	82 Å²	82	53.1 Å²	53.1	68%	0.678	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-73.2	-16.9	179.2	0	0	0	0	0	113.4	H665	H665-A667 VanDerWaalsContact C-N 3.25Å; H665-A667 PolarHBondContact O-N 2.96Å
668	Q	96.6	Very high	95.2	Very high	74 Å²	74	55.3 Å²	55.3	35%	0.346	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-98.7	-1.1	-179.4	-66.3	87.5	3.3	0	0	113.1	C576 Y577 Y661 H665 P666	C576-Q668 WeakPolarHBondContact CA-O 3.44Å; Y577-Q668 WeakPolarHBondContact CD2-O 3.19Å; Y577-Q668 PolarHBondContact N-O 2.76Å; Y661-Q668 HydrophobicContact CE1-CB 4.33Å; H665-Q668 VanDerWaalsContact C-OE1 3.27Å; H665-Q668 VanDerWaalsContact CA-OE1 3.3Å; H665-Q668 HydrophobicContact CB-CB 4.5Å; H665-Q668 VanDerWaalsContact CB-OE1 3.22Å; H665-Q668 PolarHBondContact O-N 2.73Å; H665-Q668 VanDerWaalsContact O-N 3.12Å; H665-Q668 PolarHBondContact O-OE1 2.71Å; H665-Q668 VanDerWaalsContact O-OE1 3.13Å; P666-Q668 VanDerWaalsContact C-N 3.25Å; P666-Q668 PolarHBondContact O-N 2.68Å
669	C	97.9	Very high	95.2	Very high	12 Å²	12	53.7 Å²	53.7	8%	0.081	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.3	-165.5	-68.8	0	0	0	0	113.3	W574 F575 C576 H662 H665 P666	W574-C669 HydrophobicContact CE3-CB 3.92Å; W574-C669 HydrophobicContact CZ3-CB 4.15Å; F575-C669 CarbonylContact O-C 3.47Å; F575-C669 VanDerWaalsContact O-CA 3.31Å; F575-C669 WeakPolarHBondContact O-CA 3.46Å; C576-C669 HydrophobicContact CB-CB 4.19Å; C576-C669 WeakPolarHBondContact CB-SG 3.31Å; C576-C669 WeakPolarHBondContact SG-CB 3.46Å; C576-C669 CovalentContact SG-SG 2.04Å; C576-C669 PolarHBondContact SG-SG 3.17Å; H662-C669 WeakPolarHBondContact CA-SG 3.35Å; H662-C669 HydrophobicContact CB-CB 3.81Å; H662-C669 VanDerWaalsContact CB-SG 3.51Å; H665-C669 PolarHBondContact O-SG 2.9Å; H665-C669 VanDerWaalsContact O-SG 3.41Å; P666-C669 PolarHBondContact O-N 2.83Å
670	Y	97.9	Very high	95.1	Very high	54 Å²	54	55.7 Å²	55.7	21%	0.212	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	146.7	-176.6	-59.4	-96.8	0	0	0	110.3	M429 W574 F575 Y577	M429-Y670 HydrophobicContact CB-CD1 4.07Å; M429-Y670 HydrophobicContact CB-CD2 4.28Å; M429-Y670 HydrophobicContact CB-CE1 4.01Å; M429-Y670 HydrophobicContact CB-CE2 4.26Å; M429-Y670 HydrophobicContact CB-CG 4.21Å; M429-Y670 HydrophobicContact CE-CD1 4.07Å; M429-Y670 HydrophobicContact CE-CD2 4.36Å; M429-Y670 HydrophobicContact CE-CG 3.67Å; M429-Y670 WeakPolarHBondContact O-CD1 3.27Å; M429-Y670 WeakPolarHBondContact O-CE1 3.22Å; W574-Y670 WeakPolarHBondContact CA-O 3.42Å; F575-Y670 HydrophobicContact CD1-CD2 4.12Å; F575-Y670 HydrophobicContact CE1-CD2 4.43Å; F575-Y670 PolarHBondContact N-O 2.85Å; F575-Y670 PolarHBondContact O-N 2.79Å; Y577-Y670 HydrophobicContact CD2-CE2 4.03Å; Y577-Y670 HydrophobicContact CE2-CD2 4.14Å; Y577-Y670 AromaticContact CE2-CE2 3.55Å; Y577-Y670 HydrophobicContact CE2-CE2 3.55Å
671	V	96.5	Very high	94.8	Very high	32 Å²	32	59 Å²	59	19%	0.194	33%	0.33	C	S	.	.			trans	-149.6	139.6	175.3	64.1	0	0	0	0	110.5	W574 K674	W574-V671 HydrophobicContact CD2-CB 3.81Å; W574-V671 HydrophobicContact CD2-CG1 4.03Å; W574-V671 HydrophobicContact CD2-CG2 4.4Å; W574-V671 HydrophobicContact CE3-CB 3.74Å; W574-V671 HydrophobicContact CE3-CG1 3.81Å; W574-V671 HydrophobicContact CG-CB 4.32Å; W574-V671 HydrophobicContact CH2-CG1 3.69Å; W574-V671 HydrophobicContact CZ2-CG1 3.9Å; W574-V671 HydrophobicContact CZ3-CB 4.11Å; W574-V671 HydrophobicContact CZ3-CG1 3.64Å; V671-K674 HydrophobicContact CG1-CB 4.11Å; V671-K674 HydrophobicContact CG1-CD 4.3Å; V671-K674 HydrophobicContact CG1-CG 4.24Å; V671-K674 HydrophobicContact CG2-CB 4.17Å; V671-K674 HydrophobicContact CG2-CG 4.44Å
672	S	93.6	Very high	94.6	Very high	10 Å²	10	60.3 Å²	60.3	7%	0.07	35%	0.348	C	S	.	.	S	Bend	trans	-112.5	145.3	171.2	-48.7	0	0	0	0	108.2	K436 P438 K674	K436-S672 VanDerWaalsContact O-CB 3.29Å; K436-S672 WeakPolarHBondContact O-CB 3.23Å; K436-S672 PolarHBondContact O-OG 2.92Å; P438-S672 WeakPolarHBondContact CD-OG 3.46Å; S672-K674 VanDerWaalsContact C-N 3.31Å; S672-K674 PolarHBondContact O-N 3.34Å
673	E	90.3	Very high	94.5	Very high	80 Å²	80	61.3 Å²	61.3	37%	0.374	36%	0.356	S	S	.	.	S	Bend	trans	51.7	47.2	178.2	-66.3	-65.7	156.3	0	0	113.7	L112 W437 R572 A675	L112-E673 HydrophobicContact CD2-CB 4.44Å; L112-E673 HydrophobicContact CD2-CG 4.47Å; W437-E673 HydrophobicContact CE3-CG 4.33Å; W437-E673 HydrophobicContact CZ3-CB 4.41Å; W437-E673 HydrophobicContact CZ3-CG 4.33Å; R572-E673 PolarHBondContact NH1-O 3.37Å; E673-A675 PolarHBondContact O-N 2.91Å
674	K	93.1	Very high	94.5	Very high	103 Å²	103	59 Å²	59	45%	0.448	34%	0.339	S	S	.	.			trans	-50.3	128.6	-173.2	-174.9	179.7	178.4	-179.7	0	112.2	W574 V671 S672	W574-K674 HydrophobicContact CZ2-CD 4.25Å; V671-K674 HydrophobicContact CG1-CB 4.11Å; V671-K674 HydrophobicContact CG1-CD 4.3Å; V671-K674 HydrophobicContact CG1-CG 4.24Å; V671-K674 HydrophobicContact CG2-CB 4.17Å; V671-K674 HydrophobicContact CG2-CG 4.44Å; S672-K674 VanDerWaalsContact C-N 3.31Å; S672-K674 PolarHBondContact O-N 3.34Å
675	A	94.6	Very high	94.4	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.008	33%	0.329	C	S	.	.			trans	-147.6	156.6	175.4	0	0	0	0	0	110.8	P109 L591 E673 L684	P109-A675 HydrophobicContact CB-CB 4.23Å; P109-A675 HydrophobicContact CG-CB 3.87Å; L591-A675 WeakPolarHBondContact CD1-O 3.41Å; E673-A675 PolarHBondContact O-N 2.91Å; A675-L684 HydrophobicContact CB-CD2 4.32Å
676	C	95.6	Very high	94.3	Very high	12 Å²	12	62 Å²	62	8%	0.081	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	149.1	175.9	-77.3	0	0	0	0	108.9	D592 L684 Y685 C687	D592-C676 HydrophobicContact CB-CB 4.34Å; D592-C676 VanDerWaalsContact CB-SG 3.53Å; C676-L684 CarbonylContact O-C 3.5Å; C676-L684 VanDerWaalsContact O-CA 3.28Å; C676-L684 WeakPolarHBondContact O-CA 3.01Å; C676-Y685 HydrophobicContact CB-CD1 4.01Å; C676-Y685 HydrophobicContact CB-CD2 4.37Å; C676-Y685 HydrophobicContact CB-CE1 3.45Å; C676-Y685 VanDerWaalsContact CB-CE1 3.45Å; C676-Y685 HydrophobicContact CB-CE2 3.87Å; C676-Y685 HydrophobicContact CB-CG 4.43Å; C676-Y685 PolarHBondContact N-O 2.69Å; C676-Y685 VanDerWaalsContact O-CD1 3.3Å; C676-Y685 WeakPolarHBondContact O-CD1 3.39Å; C676-Y685 PolarHBondContact O-N 2.89Å; C676-C687 VanDerWaalsContact CA-SG 3.53Å; C676-C687 HydrophobicContact CB-CB 4.19Å; C676-C687 WeakPolarHBondContact CB-SG 3.35Å; C676-C687 PolarHBondContact N-SG 3.25Å; C676-C687 WeakPolarHBondContact SG-CB 2.82Å; C676-C687 CovalentContact SG-SG 2.03Å; C676-C687 PolarHBondContact SG-SG 2.72Å
677	Y	96.1	Very high	93.8	Very high	48 Å²	48	61.9 Å²	61.9	19%	0.188	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	131.8	177.9	-175.4	-112.5	0	0	0	111	L568 D592 G593 H594 E679 L684	L568-Y677 HydrophobicContact CD1-CD2 3.89Å; L568-Y677 HydrophobicContact CD1-CE2 4.08Å; L568-Y677 HydrophobicContact CD1-CG 4.37Å; D592-Y677 PolarHBondContact O-N 2.9Å; G593-Y677 CarbonylContact C-O 3.54Å; G593-Y677 VanDerWaalsContact CA-O 3.32Å; G593-Y677 WeakPolarHBondContact CA-O 3.24Å; H594-Y677 HydrophobicContact CB-CD1 3.83Å; H594-Y677 HydrophobicContact CB-CG 4.19Å; H594-Y677 AromaticContact ND1-CD1 3.79Å; H594-Y677 AromaticContact ND1-CE1 3.85Å; Y677-E679 HydrophobicContact CD1-CB 4.29Å; Y677-E679 HydrophobicContact CE1-CB 3.92Å; Y677-E679 HydrophobicContact CE1-CG 4.25Å; Y677-L684 HydrophobicContact CD2-CD2 4.04Å; Y677-L684 HydrophobicContact CD2-CG 4.47Å
678	L	94.8	Very high	93.7	Very high	69 Å²	69	60.9 Å²	60.9	36%	0.361	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	97.6	173.9	-177.1	63.5	0	0	0	109.5	T680 V681 G682 V683 Y685	L678-T680 VanDerWaalsContact C-N 3.29Å; L678-T680 WeakPolarHBondContact CG-OG1 3.37Å; L678-T680 PolarHBondContact O-N 2.82Å; L678-V681 HydrophobicContact CD2-CB 4.2Å; L678-V681 HydrophobicContact CD2-CG2 3.78Å; L678-V681 HydrophobicContact CG-CG2 4.33Å; L678-V681 PolarHBondContact O-N 3.05Å; L678-G682 PolarHBondContact O-N 2.82Å; L678-V683 HydrophobicContact CB-CG2 4.24Å; L678-V683 PolarHBondContact N-O 3.04Å; L678-V683 PolarHBondContact O-N 2.91Å; L678-Y685 HydrophobicContact CB-CD1 4.05Å; L678-Y685 HydrophobicContact CB-CE1 3.96Å
679	E	91.1	Very high	93.5	Very high	104 Å²	104	60.2 Å²	60.2	49%	0.486	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-33.9	-174.4	-172	176.7	178.4	0	0	113.7	Y658 Y677 V681 G682	Y658-E679 PolarHBondContact OH-OE2 2.91Å; Y677-E679 HydrophobicContact CD1-CB 4.29Å; Y677-E679 HydrophobicContact CE1-CB 3.92Å; Y677-E679 HydrophobicContact CE1-CG 4.25Å; E679-V681 PolarHBondContact O-N 3Å; E679-G682 PolarHBondContact O-N 2.98Å
680	T	91.1	Very high	93.3	Very high	127 Å²	127	62.8 Å²	62.8	78%	0.779	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-26.2	-178.6	51.2	0	0	0	0	113.8	L678	L678-T680 VanDerWaalsContact C-N 3.29Å; L678-T680 WeakPolarHBondContact CG-OG1 3.37Å; L678-T680 PolarHBondContact O-N 2.82Å
681	V	89.4	Confident	93	Very high	85 Å²	85	63.4 Å²	63.4	52%	0.515	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-16.4	-178.9	-171	0	0	0	0	111.6	L678 E679 V683	L678-V681 HydrophobicContact CD2-CB 4.2Å; L678-V681 HydrophobicContact CD2-CG2 3.78Å; L678-V681 HydrophobicContact CG-CG2 4.33Å; L678-V681 PolarHBondContact O-N 3.05Å; E679-V681 PolarHBondContact O-N 3Å; V681-V683 HydrophobicContact CB-CG2 4.09Å; V681-V683 HydrophobicContact CG1-CG1 4.04Å; V681-V683 HydrophobicContact CG1-CG2 4.14Å
682	G	92.2	Very high	92.8	Very high	42 Å²	42	65.3 Å²	65.3	43%	0.433	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	33.5	-179.2	0	0	0	0	0	113.7	L678 E679	L678-G682 PolarHBondContact O-N 2.82Å; E679-G682 PolarHBondContact O-N 2.98Å
683	V	94.3	Very high	92.7	Very high	43 Å²	43	69 Å²	69	26%	0.261	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	149.7	-175.8	-61.8	0	0	0	0	112.4	L678 V681	L678-V683 HydrophobicContact CB-CG2 4.24Å; L678-V683 PolarHBondContact N-O 3.04Å; L678-V683 PolarHBondContact O-N 2.91Å; V681-V683 HydrophobicContact CB-CG2 4.09Å; V681-V683 HydrophobicContact CG1-CG1 4.04Å; V681-V683 HydrophobicContact CG1-CG2 4.14Å
684	L	95.9	Very high	92.9	Very high	40 Å²	40	68.2 Å²	68.2	21%	0.209	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	142.3	165.9	-69	170.3	0	0	0	109.8	P109 L568 L591 A675 C676 Y677	P109-L684 VanDerWaalsContact CD-O 3.29Å; P109-L684 WeakPolarHBondContact CD-O 3.32Å; P109-L684 HydrophobicContact CG-CB 3.83Å; L568-L684 HydrophobicContact CD2-CD1 4.49Å; L591-L684 HydrophobicContact CD2-CD2 4.13Å; A675-L684 HydrophobicContact CB-CD2 4.32Å; C676-L684 CarbonylContact O-C 3.5Å; C676-L684 VanDerWaalsContact O-CA 3.28Å; C676-L684 WeakPolarHBondContact O-CA 3.01Å; Y677-L684 HydrophobicContact CD2-CD2 4.04Å; Y677-L684 HydrophobicContact CD2-CG 4.47Å
685	Y	95.3	Very high	92.9	Very high	85 Å²	85	65.5 Å²	65.5	33%	0.333	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	158.4	173.7	68.9	-77.7	0	0	0	110.2	L107 C676 L678 C687	L107-Y685 CarbonylContact O-C 3.44Å; L107-Y685 VanDerWaalsContact O-CA 3.31Å; L107-Y685 WeakPolarHBondContact O-CA 3.07Å; C676-Y685 HydrophobicContact CB-CD1 4.01Å; C676-Y685 HydrophobicContact CB-CD2 4.37Å; C676-Y685 HydrophobicContact CB-CE1 3.45Å; C676-Y685 VanDerWaalsContact CB-CE1 3.45Å; C676-Y685 HydrophobicContact CB-CE2 3.87Å; C676-Y685 HydrophobicContact CB-CG 4.43Å; C676-Y685 PolarHBondContact N-O 2.69Å; C676-Y685 VanDerWaalsContact O-CD1 3.3Å; C676-Y685 WeakPolarHBondContact O-CD1 3.39Å; C676-Y685 PolarHBondContact O-N 2.89Å; L678-Y685 HydrophobicContact CB-CD1 4.05Å; L678-Y685 HydrophobicContact CB-CE1 3.96Å; Y685-C687 PolarHBondContact O-N 3.36Å
686	K	92.8	Very high	92.7	Very high	103 Å²	103	70.9 Å²	70.9	45%	0.448	39%	0.394	S	S	.	.			trans	-66.1	113.5	170.8	-68.2	172.6	-175.1	171.2	0	107.9	L107 P109	L107-K686 WeakPolarHBondContact O-CG 2.77Å; L107-K686 PolarHBondContact O-N 3.23Å; P109-K686 HydrophobicContact CB-CG 4.43Å
687	C	84.6	Confident	92.5	Very high	93 Å²	93	76.3 Å²	76.3	63%	0.628	42%	0.422	S	S	*	.			trans	-54.2	0	160.6	-43.4	0	0	0	0	108.6	C676 Y685	C676-C687 VanDerWaalsContact CA-SG 3.53Å; C676-C687 HydrophobicContact CB-CB 4.19Å; C676-C687 WeakPolarHBondContact CB-SG 3.35Å; C676-C687 PolarHBondContact N-SG 3.25Å; C676-C687 WeakPolarHBondContact SG-CB 2.82Å; C676-C687 CovalentContact SG-SG 2.03Å; C676-C687 PolarHBondContact SG-SG 2.72Å; Y685-C687 PolarHBondContact O-N 3.36Å

Retrieved 687 of 687 residues in 831.6 ms (Link to these results)

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