A0A087XDH7_POEFO Loading...

Protein arginine N-methyltransferase 3

AlphaFold DB , UniProt , Accession A0A087XDH7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 546 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.3	Very low	30.5	Very low	229 Å²	229	143.8 Å²	143.8	100%	1.128	79%	0.785	S	S	*	*				0	123	0	-68.9	166.1	-180	0	0	106.7
2	L	27.8	Very low	30.1	Very low	143 Å²	143	149.2 Å²	149.2	75%	0.749	79%	0.785	S	S	*	*				63.4	124.7	102.1	-53.6	173.3	0	0	0	113.1
3	R	30.9	Very low	29.8	Very low	185 Å²	185	152.2 Å²	152.2	70%	0.698	78%	0.782	S	S	*	*			cis	-170.8	157.4	-4.8	-133.1	170.7	-172.9	-165.5	1.7	112.6
4	Y	30.4	Very low	29.5	Very low	184 Å²	184	150.4 Å²	150.4	72%	0.722	78%	0.78	S	S	*	*			trans	67.1	152.7	156.3	-71.3	-49.6	0	0	0	119.7
5	S	27.9	Very low	29.3	Very low	106 Å²	106	149.3 Å²	149.3	74%	0.741	78%	0.775	S	S	*	*			cis	-157.6	148.3	-2.3	32.3	0	0	0	0	113.7
6	Q	31.9	Very low	29.2	Very low	181 Å²	181	154.3 Å²	154.3	85%	0.846	78%	0.78	S	S	*	*			trans	-94.1	173	153	-73.4	-172.8	-29.3	0	0	110.4
7	P	40.7	Very low	29	Very low	117 Å²	117	154.9 Å²	154.9	76%	0.76	78%	0.776	S	S	*	*				-149.6	144.9	107.7	35.3	-17.9	0	0	0	118.1
8	V	31.2	Very low	28.9	Very low	137 Å²	137	151.1 Å²	151.1	83%	0.83	77%	0.767	S	S	*	*			trans	62.2	138.5	138.2	179.1	0	0	0	0	120.4
9	G	27.5	Very low	28.8	Very low	58 Å²	58	147 Å²	147	60%	0.598	75%	0.753	S	S	*	*			cis	153.3	168.4	-11.1	0	0	0	0	0	116.1
10	T	26.4	Very low	28.8	Very low	148 Å²	148	147.8 Å²	147.8	91%	0.908	76%	0.759	S	S	*	*			trans	63.4	149.3	162	50.7	0	0	0	0	119.2
11	S	27.3	Very low	28.7	Very low	94 Å²	94	145.4 Å²	145.4	66%	0.657	76%	0.756	S	S	*	*			cis	-149.7	142.1	12.2	-173.8	0	0	0	0	110.2
12	R	26.4	Very low	28.6	Very low	208 Å²	208	144.1 Å²	144.1	79%	0.785	74%	0.744	S	S	*	*				31.5	138.5	90	-59.7	-176.6	176.3	-176.5	-1.4	115.6
13	Y	25.8	Very low	28.5	Very low	189 Å²	189	140.5 Å²	140.5	74%	0.741	74%	0.741	S	S	*	*			cis	-144.5	162	20.3	-64.7	-109.9	0	0	0	109.9
14	V	25.7	Very low	28.4	Very low	126 Å²	126	138.8 Å²	138.8	76%	0.764	75%	0.745	S	S	*	*			cis	81.5	99.8	-1.2	-167.6	0	0	0	0	119.5
15	I	27.1	Very low	28.3	Very low	135 Å²	135	136.2 Å²	136.2	69%	0.692	74%	0.744	S	S	*	*			trans	178.2	122.2	136.9	-98	165.4	0	0	0	115.2
16	R	26.2	Very low	28.2	Very low	229 Å²	229	139.4 Å²	139.4	86%	0.864	75%	0.75	S	S	*	*			trans	47.2	175.3	145.3	-50.6	177.6	170.7	156.4	-4.8	119.9
17	K	26.6	Very low	28	Very low	164 Å²	164	135.5 Å²	135.5	71%	0.713	75%	0.748	S	S	*	*			cis	-158.7	158.5	6	-166.2	-94.9	-179.9	-164.7	0	107.3	S19	K17-S19 PolarHBondContact NZ-OG 2.77Å
18	S	26.7	Very low	27.3	Very low	87 Å²	87	136.7 Å²	136.7	61%	0.608	75%	0.748	S	S	*	*			cis	-179.7	-167.2	-44	76.9	0	0	0	0	106.8
19	S	27.8	Very low	27.1	Very low	73 Å²	73	135.9 Å²	135.9	51%	0.51	74%	0.739	S	S	.	*			trans	65.5	149.1	162.7	48.3	0	0	0	0	118.1	K17	K17-S19 PolarHBondContact NZ-OG 2.77Å
20	D	28.6	Very low	27.1	Very low	163 Å²	163	139.2 Å²	139.2	87%	0.872	75%	0.748	S	S	*	*			cis	-155	-175.2	-13.5	-104.9	-39.9	0	0	0	109.9
21	S	27.3	Very low	27.3	Very low	98 Å²	98	139.1 Å²	139.1	69%	0.685	74%	0.742	S	S	*	*			trans	-108.5	156.7	-162.5	60.7	0	0	0	0	117.1
22	K	29.5	Very low	27.9	Very low	202 Å²	202	139.5 Å²	139.5	88%	0.878	74%	0.742	S	S	*	*			trans	116.6	135.8	145.5	-68.4	-172.6	175.8	-172.1	0	119.3
23	G	26.9	Very low	28.2	Very low	66 Å²	66	138.6 Å²	138.6	68%	0.68	75%	0.746	S	S	*	*			trans	87.7	152.8	150.8	0	0	0	0	0	116.6
24	D	28.4	Very low	28.3	Very low	149 Å²	149	132.8 Å²	132.8	80%	0.797	74%	0.738	S	S	*	*			cis	-171.3	146.8	-27.7	-120.5	-6.2	0	0	0	108.6
25	N	27.7	Very low	28.6	Very low	131 Å²	131	135.1 Å²	135.1	70%	0.701	74%	0.74	S	S	*	*			trans	61.8	133.4	159	-70.1	-49.1	0	0	0	123.3
26	M	26.3	Very low	28.7	Very low	173 Å²	173	137.1 Å²	137.1	85%	0.852	75%	0.747	S	S	*	*			trans	69.1	102.9	136.5	-70.2	-178.4	169.7	0	0	121.8
27	A	28	Very low	28.8	Very low	98 Å²	98	133.5 Å²	133.5	81%	0.81	74%	0.742	S	S	*	*				83.6	139.2	112.7	0	0	0	0	0	121.8
28	D	26.1	Very low	29	Very low	142 Å²	142	131.5 Å²	131.5	76%	0.759	75%	0.745	S	S	*	*			trans	99.5	134.5	144.3	-155.1	35.9	0	0	0	120.7
29	N	26.1	Very low	29.1	Very low	121 Å²	121	136.6 Å²	136.6	65%	0.647	76%	0.759	S	S	*	*			trans	70.1	152.1	153.5	-101.9	-55.7	0	0	0	125
30	T	28.9	Very low	29	Very low	128 Å²	128	140 Å²	140	79%	0.785	77%	0.771	S	S	*	*			trans	70.6	95.9	160.8	47.9	0	0	0	0	121.6
31	D	30	Very low	28.9	Very low	145 Å²	145	138 Å²	138	78%	0.775	77%	0.77	S	S	*	*			trans	-57	160.9	132.7	-155.4	35.3	0	0	0	109.9
32	P	40.7	Very low	29.1	Very low	102 Å²	102	139.9 Å²	139.9	66%	0.662	77%	0.772	S	S	*	*				-147.3	160.7	56.8	40.3	-19.6	0	0	0	119
33	H	31.2	Very low	29.1	Very low	189 Å²	189	139.6 Å²	139.6	88%	0.875	77%	0.774	S	S	*	*			trans	-136.7	92.7	139.7	-103	-64.4	0	0	0	111.1
34	A	29.4	Very low	29.2	Very low	68 Å²	68	144.1 Å²	144.1	56%	0.562	78%	0.782	S	S	*	*			trans	-67.9	171.3	168.8	0	0	0	0	0	111.3
35	E	30.5	Very low	29.7	Very low	174 Å²	174	144.7 Å²	144.7	81%	0.813	79%	0.786	S	S	*	*			cis	-154.4	176.5	11.4	-132.6	135.1	-136.2	0	0	105.4
36	E	29.3	Very low	29.7	Very low	177 Å²	177	141.7 Å²	141.7	83%	0.827	79%	0.785	S	S	*	*			cis	-162.4	160.7	24.8	-159.4	165.6	-150.1	0	0	108.7
37	M	28.5	Very low	30.2	Very low	154 Å²	154	141.2 Å²	141.2	76%	0.759	79%	0.786	S	S	*	*			trans	-102.5	162	174.3	-83.5	-174.9	65.1	0	0	112.4
38	P	31.7	Very low	30.4	Very low	121 Å²	121	143 Å²	143	79%	0.786	79%	0.787	S	S	*	*			trans	-105.5	163.3	134.5	-15.6	33	0	0	0	113.8
39	E	27.7	Very low	30.7	Very low	194 Å²	194	143.6 Å²	143.6	91%	0.907	79%	0.79	S	S	*	*			trans	-84.1	166.6	-163.2	-62.8	170.2	126.2	0	0	115.3
40	L	26.7	Very low	31	Very low	146 Å²	146	141.1 Å²	141.1	76%	0.764	79%	0.793	S	S	*	*			trans	-75.2	155.5	173.9	-69.3	159.8	0	0	0	112.2
41	S	27	Very low	31.2	Very low	121 Å²	121	142.8 Å²	142.8	85%	0.846	80%	0.797	S	S	*	*			trans	-135.7	105.1	156.2	61.1	0	0	0	0	108.9
42	D	29.9	Very low	31.4	Very low	136 Å²	136	145 Å²	145	73%	0.727	80%	0.802	S	S	*	*			trans	-79	133.8	174.6	-49.1	-59.6	0	0	0	109.9
43	E	30.1	Very low	31.2	Very low	197 Å²	197	148.6 Å²	148.6	92%	0.921	81%	0.811	S	S	*	*			trans	-162.6	102.7	149.1	-118.8	169.2	-143.5	0	0	112.8
44	D	30.1	Very low	31	Very low	160 Å²	160	147.5 Å²	147.5	86%	0.856	81%	0.806	S	S	*	*			trans	73.3	151.1	145.4	-130.4	14.7	0	0	0	123.1
45	D	38.1	Very low	31.3	Very low	162 Å²	162	155 Å²	155	87%	0.866	82%	0.82	S	S	*	*			trans	-75	157.2	-164.3	-68.5	-41.1	0	0	0	115.9
46	G	27.8	Very low	31.2	Very low	67 Å²	67	155 Å²	155	69%	0.691	82%	0.82	S	S	*	*			trans	-164.4	127.4	165.7	0	0	0	0	0	112.3
47	D	35.8	Very low	31.3	Very low	163 Å²	163	157.9 Å²	157.9	87%	0.872	82%	0.823	S	S	*	*			trans	-64.6	145.1	-175.9	-54.8	-84.9	0	0	0	113.2
48	V	31.9	Very low	31.4	Very low	137 Å²	137	159.2 Å²	159.2	83%	0.83	83%	0.83	S	S	*	*			trans	-124.8	88.3	170.5	-175.7	0	0	0	0	108.7
49	D	34.4	Very low	31.5	Very low	154 Å²	154	162.4 Å²	162.4	82%	0.824	83%	0.834	S	S	*	*			trans	-64.6	156.6	160.1	-92.4	-48.3	0	0	0	110.3
50	G	32.2	Very low	32.1	Very low	68 Å²	68	162.5 Å²	162.5	70%	0.701	84%	0.835	S	S	*	*			trans	-73.2	143.3	-168.2	0	0	0	0	0	115.1	E52	G50-E52 PolarHBondContact O-N 2.96Å
51	D	32.2	Very low	32.8	Very low	163 Å²	163	164.8 Å²	164.8	87%	0.872	84%	0.841	S	S	*	*			trans	-63.9	115	170.1	-70.8	-57.4	0	0	0	111.1	E53	D51-E53 PolarHBondContact O-N 2.64Å
52	E	34.6	Very low	34.3	Very low	191 Å²	191	162 Å²	162	89%	0.893	83%	0.832	S	S	*	*			trans	-75	115.1	167.4	-64.6	-172.8	142.3	0	0	109.7	G50 Q54	G50-E52 PolarHBondContact O-N 2.96Å; E52-Q54 PolarHBondContact O-N 2.84Å
53	E	35.9	Very low	36.1	Very low	178 Å²	178	160.5 Å²	160.5	83%	0.832	82%	0.821	S	S	*	*			trans	-65.8	104.3	175.1	-75.1	-165.2	143.6	0	0	110.8	D51 W55	D51-E53 PolarHBondContact O-N 2.64Å; E53-W55 PolarHBondContact O-N 3.26Å
54	Q	28.3	Very low	38.7	Very low	167 Å²	167	155.5 Å²	155.5	78%	0.78	80%	0.803	S	S	*	*			trans	-65.7	101	-178.1	179	175.7	77.8	0	0	111.5	E52 Q56	E52-Q54 PolarHBondContact O-N 2.84Å; Q54-Q56 PolarHBondContact O-N 3.48Å
55	W	35.4	Very low	41.5	Very low	226 Å²	226	147.9 Å²	147.9	86%	0.856	76%	0.763	S	S	*	*			trans	-59.4	110.7	173	-72.1	84.9	0	0	0	111	E53 W57	E53-W55 PolarHBondContact O-N 3.26Å; W55-W57 PolarHBondContact O-N 2.89Å
56	Q	27.1	Very low	44.1	Very low	172 Å²	172	143 Å²	143	80%	0.804	74%	0.736	S	S	*	*			trans	-77.1	110	172.4	-67.8	-176.6	-1.7	0	0	109.2	Q54 M58	Q54-Q56 PolarHBondContact O-N 3.48Å; Q56-M58 PolarHBondContact O-N 2.81Å
57	W	31.3	Very low	47.1	Very low	239 Å²	239	140 Å²	140	91%	0.905	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-61.4	124.7	169.4	-63.1	82.1	0	0	0	109	W55	W55-W57 PolarHBondContact O-N 2.89Å
58	M	30.8	Very low	49.8	Very low	182 Å²	182	132.7 Å²	132.7	90%	0.897	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-66.1	134.4	168.6	-72.6	177.3	58.1	0	0	109	Q56	Q56-M58 PolarHBondContact O-N 2.81Å
59	E	34.6	Very low	52.6	Low	187 Å²	187	128 Å²	128	87%	0.874	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-63.7	141	175.8	-61.2	-179.1	134.4	0	0	110.3	E61	E59-E61 PolarHBondContact O-N 3.2Å; E59-E61 VanDerWaalsContact O-N 3.1Å
60	E	39.9	Very low	55.2	Low	197 Å²	197	123 Å²	123	92%	0.921	61%	0.61	S	S	*	*			trans	-67	107.3	-178.7	-64	179.2	133.6	0	0	111.2	G62	E60-G62 PolarHBondContact O-N 2.63Å
61	E	42.5	Very low	57.8	Low	193 Å²	193	128.3 Å²	128.3	90%	0.902	62%	0.617	S	S	*	*			trans	-66.6	116.2	166.3	-68.8	-163.8	152.8	0	0	109.3	E59 Q63	E59-E61 PolarHBondContact O-N 3.2Å; E59-E61 VanDerWaalsContact O-N 3.1Å; E61-Q63 PolarHBondContact O-N 3.39Å; E61-Q63 VanDerWaalsContact O-N 3.09Å
62	G	56.7	Low	60.6	Low	63 Å²	63	125.6 Å²	125.6	65%	0.649	60%	0.597	S	S	*	*			trans	-54.4	111.7	-167.7	0	0	0	0	0	114.6	E60 T64	E60-G62 PolarHBondContact O-N 2.63Å; G62-T64 PolarHBondContact O-N 3.41Å
63	Q	68.9	Low	63.2	Low	105 Å²	105	121.7 Å²	121.7	49%	0.491	58%	0.582	S	S	.	*			trans	-73.2	110.3	-174.1	-158	-175.9	22.6	0	0	111.4	E61 V65 P147 Q150	E61-Q63 PolarHBondContact O-N 3.39Å; E61-Q63 VanDerWaalsContact O-N 3.09Å; Q63-V65 WeakPolarHBondContact O-CG2 3.39Å; Q63-P147 VanDerWaalsContact CD-CG 3.49Å; Q63-P147 HydrophobicContact CG-CB 4.42Å; Q63-P147 HydrophobicContact CG-CG 3.79Å; Q63-Q150 VanDerWaalsContact NE2-OE1 3.07Å
64	T	83.8	Confident	65.9	Low	91 Å²	91	113.9 Å²	113.9	56%	0.558	55%	0.546	S	S	*	.			trans	-74.8	127.3	-177.7	59	0	0	0	0	112.5	G62 L74	G62-T64 PolarHBondContact O-N 3.41Å; T64-L74 WeakPolarHBondContact CA-O 3Å
65	V	89.9	Confident	68.7	Low	1 Å²	1	112.2 Å²	112.2	1%	0.006	54%	0.542	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	141.1	-174.7	-168.9	0	0	0	0	110.8	Q63 L73 L74 S76 V77 T80 P147 L148	Q63-V65 WeakPolarHBondContact O-CG2 3.39Å; V65-L73 CarbonylContact O-C 3.55Å; V65-L73 WeakPolarHBondContact O-CA 3.45Å; V65-L74 PolarHBondContact N-O 2.8Å; V65-L74 PolarHBondContact O-N 2.86Å; V65-S76 VanDerWaalsContact CG2-C 3.49Å; V65-V77 HydrophobicContact CG2-CG2 4.05Å; V65-T80 WeakPolarHBondContact CB-OG1 3.45Å; V65-T80 HydrophobicContact CG1-CG2 4.08Å; V65-P147 HydrophobicContact CG2-CB 3.88Å; V65-P147 HydrophobicContact CG2-CG 3.98Å; V65-L148 HydrophobicContact CG1-CD1 4.37Å; V65-L148 HydrophobicContact CG1-CD2 4.2Å; V65-L148 HydrophobicContact CG1-CG 3.9Å
66	I	91.3	Very high	71.1	Confident	60 Å²	60	103.7 Å²	103.7	31%	0.308	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	132.5	176.6	-57.6	172.2	0	0	0	110.2	L73 R114 L143	I66-L73 HydrophobicContact CD1-CD2 4.43Å; I66-L73 HydrophobicContact CG1-CD2 3.55Å; I66-L73 HydrophobicContact CG1-CG 4.36Å; I66-R114 PolarHBondContact O-NH1 2.84Å; I66-R114 PolarHBondContact O-NH2 2.83Å; I66-L143 HydrophobicContact CD1-CD2 4.08Å
67	C	92.3	Very high	74	Confident	2 Å²	2	96.6 Å²	96.6	1%	0.014	49%	0.485	C	S	.	.			trans	-54.2	142.5	174.4	-176.1	0	0	0	0	113.2	F69 C70 K72 L74 H83 H88 R114	C67-F69 VanDerWaalsContact C-N 3.27Å; C67-F69 PolarHBondContact O-N 2.98Å; C67-C70 WeakPolarHBondContact CB-O 3.32Å; C67-K72 HydrophobicContact CB-CB 4.38Å; C67-K72 PolarHBondContact N-O 3.26Å; C67-L74 HydrophobicContact CB-CD1 4.12Å; C67-H83 PolarHBondContact SG-CD2 2.68Å; C67-H83 PolarHBondContact SG-NE2 2.62Å; C67-H83 VanDerWaalsContact SG-NE2 3.36Å; C67-H88 VanDerWaalsContact SG-CD2 3.59Å; C67-R114 PolarHBondContact O-NH1 2.96Å
68	L	91.3	Very high	76.6	Confident	10 Å²	10	88.5 Å²	88.5	5%	0.052	47%	0.465	C	S	.	.	S	Bend	trans	-63.8	-30	-179.9	-75.1	172.4	0	0	0	113.5	V92 I110 I113 L148	L68-V92 HydrophobicContact CD1-CG2 3.98Å; L68-I110 HydrophobicContact CD1-CD1 3.87Å; L68-I110 HydrophobicContact CD2-CD1 3.9Å; L68-I110 HydrophobicContact CD2-CG2 4.19Å; L68-I113 HydrophobicContact CB-CG2 4.13Å; L68-I113 HydrophobicContact CD1-CD1 4.49Å; L68-I113 HydrophobicContact CD2-CG2 4.32Å; L68-L148 HydrophobicContact CD1-CD1 4.3Å; L68-L148 HydrophobicContact CD2-CD1 3.65Å; L68-L148 HydrophobicContact CG-CD1 3.74Å
69	F	90.6	Very high	79.3	Confident	40 Å²	40	81.2 Å²	81.2	18%	0.175	43%	0.434	C	S	.	.	S	Bend	trans	-120.5	-1.1	-169.2	-52.7	-73.3	0	0	0	114.6	C67 C84 H88 L90 I113 A120 L123	C67-F69 VanDerWaalsContact C-N 3.27Å; C67-F69 PolarHBondContact O-N 2.98Å; F69-C84 HydrophobicContact CD2-CB 4.49Å; F69-C84 HydrophobicContact CE2-CB 4.37Å; F69-H88 HydrophobicContact CB-CB 4.29Å; F69-H88 HydrophobicContact CD2-CB 3.8Å; F69-H88 AromaticContact CD2-CG 3.93Å; F69-H88 HydrophobicContact CG-CB 4.27Å; F69-L90 HydrophobicContact CE2-CB 4.47Å; F69-L90 HydrophobicContact CE2-CD2 4.09Å; F69-L90 HydrophobicContact CZ-CD1 4.13Å; F69-L90 HydrophobicContact CZ-CD2 4.09Å; F69-I113 HydrophobicContact CD1-CG2 4.1Å; F69-I113 HydrophobicContact CE1-CG2 3.68Å; F69-I113 HydrophobicContact CZ-CD1 4.3Å; F69-I113 HydrophobicContact CZ-CG2 4.28Å; F69-A120 HydrophobicContact CD1-CB 4.18Å; F69-A120 HydrophobicContact CD2-CB 4.35Å; F69-A120 HydrophobicContact CE1-CB 4.09Å; F69-A120 HydrophobicContact CE2-CB 4.26Å; F69-A120 HydrophobicContact CG-CB 4.32Å; F69-A120 HydrophobicContact CZ-CB 4.14Å; F69-L123 HydrophobicContact CE1-CD1 3.72Å; F69-L123 HydrophobicContact CZ-CD1 3.69Å
70	C	88.9	Confident	81.9	Confident	47 Å²	47	72.3 Å²	72.3	32%	0.318	39%	0.392	S	S	.	.	S	Bend	trans	-153.4	172.2	173.2	71.5	0	0	0	0	112.5	C67 K72 H83 H88	C67-C70 WeakPolarHBondContact CB-O 3.32Å; C70-K72 PolarHBondContact O-N 2.8Å; C70-K72 VanDerWaalsContact O-N 3.11Å; C70-H83 PolarHBondContact SG-NE2 2.8Å; C70-H83 VanDerWaalsContact SG-NE2 3.41Å; C70-H88 PolarHBondContact SG-NE2 2.86Å
71	E	88.3	Confident	84.3	Confident	181 Å²	181	63.7 Å²	63.7	85%	0.846	35%	0.352	S	S	*	.	S	Bend	trans	-82	20.5	-174.3	-57.5	-179.7	164.9	0	0	113.5
72	K	90	Very high	86.4	Confident	105 Å²	105	60.6 Å²	60.6	46%	0.457	34%	0.338	S	S	.	.			trans	-81.4	128.9	179.6	-169.6	-173.9	177.5	-169.8	0	110.9	C67 C70 L74 H83	C67-K72 HydrophobicContact CB-CB 4.38Å; C67-K72 PolarHBondContact N-O 3.26Å; C70-K72 PolarHBondContact O-N 2.8Å; C70-K72 VanDerWaalsContact O-N 3.11Å; K72-L74 HydrophobicContact CB-CD1 4.33Å; K72-L74 HydrophobicContact CD-CD1 4.19Å; K72-L74 HydrophobicContact CD-CD2 4.3Å; K72-L74 HydrophobicContact CD-CG 4.23Å; K72-L74 HydrophobicContact CG-CD1 4.08Å; K72-L74 HydrophobicContact CG-CG 4.33Å; K72-L74 WeakPolarHBondContact O-CD1 3.49Å; K72-H83 WeakPolarHBondContact CD-NE2 3.48Å
73	L	89.7	Confident	88	Confident	110 Å²	110	58.4 Å²	58.4	58%	0.576	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	141.6	166.1	-74.2	156.4	0	0	0	110.4	V65 I66	V65-L73 CarbonylContact O-C 3.55Å; V65-L73 WeakPolarHBondContact O-CA 3.45Å; I66-L73 HydrophobicContact CD1-CD2 4.43Å; I66-L73 HydrophobicContact CG1-CD2 3.55Å; I66-L73 HydrophobicContact CG1-CG 4.36Å
74	L	91.4	Very high	89	Confident	14 Å²	14	53.4 Å²	53.4	7%	0.073	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	156.2	177.8	-56.3	96.9	0	0	0	110.5	T64 V65 C67 K72 S76 A79 T80 H83	T64-L74 WeakPolarHBondContact CA-O 3Å; V65-L74 PolarHBondContact N-O 2.8Å; V65-L74 PolarHBondContact O-N 2.86Å; C67-L74 HydrophobicContact CB-CD1 4.12Å; K72-L74 HydrophobicContact CB-CD1 4.33Å; K72-L74 HydrophobicContact CD-CD1 4.19Å; K72-L74 HydrophobicContact CD-CD2 4.3Å; K72-L74 HydrophobicContact CD-CG 4.23Å; K72-L74 HydrophobicContact CG-CD1 4.08Å; K72-L74 HydrophobicContact CG-CG 4.33Å; K72-L74 WeakPolarHBondContact O-CD1 3.49Å; L74-S76 VanDerWaalsContact C-N 3.28Å; L74-S76 PolarHBondContact O-N 2.97Å; L74-A79 HydrophobicContact CB-CB 4.26Å; L74-A79 HydrophobicContact CD2-CB 4.41Å; L74-T80 HydrophobicContact CD1-CG2 4.48Å; L74-H83 HydrophobicContact CD2-CB 3.51Å
75	D	87.1	Confident	89.2	Confident	131 Å²	131	52 Å²	52	70%	0.701	28%	0.279	S	S	*	.	S	Bend	trans	-85.5	6.4	-164.6	-38.9	-61.2	0	0	0	114.3
76	S	87	Confident	89.2	Confident	47 Å²	47	55.3 Å²	55.3	33%	0.329	31%	0.306	S	S	.	.	S	Bend	trans	-168.1	166.9	173.2	60.4	0	0	0	0	112.7	V65 L74 A79 T80	V65-S76 VanDerWaalsContact CG2-C 3.49Å; L74-S76 VanDerWaalsContact C-N 3.28Å; L74-S76 PolarHBondContact O-N 2.97Å; S76-A79 WeakPolarHBondContact OG-CB 3.46Å; S76-A79 PolarHBondContact OG-N 3.42Å; S76-A79 VanDerWaalsContact OG-N 3.12Å; S76-T80 WeakPolarHBondContact O-CB 3.28Å; S76-T80 PolarHBondContact O-N 2.89Å; S76-T80 VanDerWaalsContact O-N 3.08Å; S76-T80 PolarHBondContact O-OG1 2.59Å
77	V	87.1	Confident	89.1	Confident	24 Å²	24	58.8 Å²	58.8	15%	0.145	32%	0.321	C	S	.	.	H	α-helix	trans	-59.2	-48.4	169	169	0	0	0	0	111.1	V65 A79 T80 L81 P147 L148 T151	V65-V77 HydrophobicContact CG2-CG2 4.05Å; V77-A79 PolarHBondContact O-N 2.83Å; V77-T80 CarbonylContact O-C 3.56Å; V77-T80 WeakPolarHBondContact O-CA 3.49Å; V77-T80 VanDerWaalsContact O-CB 3.3Å; V77-T80 WeakPolarHBondContact O-CB 3.17Å; V77-T80 PolarHBondContact O-N 3.08Å; V77-L81 HydrophobicContact CG1-CD1 4.07Å; V77-L81 HydrophobicContact CG1-CG 4.28Å; V77-L81 WeakPolarHBondContact O-CG 3.15Å; V77-L81 PolarHBondContact O-N 3.48Å; V77-P147 HydrophobicContact CG2-CB 3.93Å; V77-L148 HydrophobicContact CB-CD2 4.36Å; V77-L148 HydrophobicContact CG1-CD2 3.78Å; V77-L148 HydrophobicContact CG2-CD2 4.12Å; V77-T151 HydrophobicContact CG1-CG2 4.15Å
78	S	86.6	Confident	88.9	Confident	68 Å²	68	60.8 Å²	60.8	48%	0.476	33%	0.33	S	S	.	.	H	α-helix	trans	-58.5	-45.6	-179.8	-175.9	0	0	0	0	112.3	T80 L81 Q82	S78-T80 VanDerWaalsContact C-N 3.27Å; S78-T80 PolarHBondContact O-N 2.94Å; S78-L81 PolarHBondContact O-N 2.86Å; S78-Q82 VanDerWaalsContact O-CG 3.32Å; S78-Q82 WeakPolarHBondContact O-CG 2.77Å; S78-Q82 PolarHBondContact O-N 2.85Å; S78-Q82 PolarHBondContact OG-NE2 2.85Å
79	A	86.4	Confident	88.7	Confident	29 Å²	29	67.7 Å²	67.7	24%	0.24	36%	0.362	C	S	.	.	H	α-helix	trans	-61	-36.7	173.9	0	0	0	0	0	112.3	L74 S76 V77 H83	L74-A79 HydrophobicContact CB-CB 4.26Å; L74-A79 HydrophobicContact CD2-CB 4.41Å; S76-A79 WeakPolarHBondContact OG-CB 3.46Å; S76-A79 PolarHBondContact OG-N 3.42Å; S76-A79 VanDerWaalsContact OG-N 3.12Å; V77-A79 PolarHBondContact O-N 2.83Å; A79-H83 VanDerWaalsContact O-CB 3.3Å; A79-H83 WeakPolarHBondContact O-CB 3.5Å; A79-H83 PolarHBondContact O-N 3.33Å
80	T	90.1	Very high	88.6	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-66.9	-42.7	177.7	-59.6	0	0	0	0	112.4	V65 L74 S76 V77 S78 H83 C84 L148	V65-T80 WeakPolarHBondContact CB-OG1 3.45Å; V65-T80 HydrophobicContact CG1-CG2 4.08Å; L74-T80 HydrophobicContact CD1-CG2 4.48Å; S76-T80 WeakPolarHBondContact O-CB 3.28Å; S76-T80 PolarHBondContact O-N 2.89Å; S76-T80 VanDerWaalsContact O-N 3.08Å; S76-T80 PolarHBondContact O-OG1 2.59Å; V77-T80 CarbonylContact O-C 3.56Å; V77-T80 WeakPolarHBondContact O-CA 3.49Å; V77-T80 VanDerWaalsContact O-CB 3.3Å; V77-T80 WeakPolarHBondContact O-CB 3.17Å; V77-T80 PolarHBondContact O-N 3.08Å; S78-T80 VanDerWaalsContact C-N 3.27Å; S78-T80 PolarHBondContact O-N 2.94Å; T80-H83 PolarHBondContact O-N 3.46Å; T80-C84 PolarHBondContact O-N 2.82Å; T80-C84 PolarHBondContact O-SG 2.9Å; T80-L148 HydrophobicContact CG2-CD1 4.43Å
81	L	89.8	Confident	88.6	Confident	16 Å²	16	65.5 Å²	65.5	8%	0.084	35%	0.349	C	S	.	.	H	α-helix	trans	-66.5	-44.5	176.2	-62.8	179.9	0	0	0	111.4	V77 S78 H83 C84 T85 V92 L148 L156	V77-L81 HydrophobicContact CG1-CD1 4.07Å; V77-L81 HydrophobicContact CG1-CG 4.28Å; V77-L81 WeakPolarHBondContact O-CG 3.15Å; V77-L81 PolarHBondContact O-N 3.48Å; S78-L81 PolarHBondContact O-N 2.86Å; L81-H83 VanDerWaalsContact C-N 3.28Å; L81-H83 PolarHBondContact O-N 2.82Å; L81-C84 WeakPolarHBondContact O-CB 3.5Å; L81-C84 PolarHBondContact O-N 2.93Å; L81-C84 VanDerWaalsContact O-N 3.15Å; L81-T85 PolarHBondContact O-N 3.18Å; L81-T85 PolarHBondContact O-OG1 2.9Å; L81-V92 HydrophobicContact CD2-CB 3.92Å; L81-V92 HydrophobicContact CD2-CG1 4.47Å; L81-V92 HydrophobicContact CD2-CG2 3.67Å; L81-L148 HydrophobicContact CD2-CD2 4.45Å; L81-L156 HydrophobicContact CD1-CD1 3.88Å; L81-L156 HydrophobicContact CD1-CD2 3.45Å; L81-L156 VanDerWaalsContact CD1-CD2 3.45Å; L81-L156 HydrophobicContact CD1-CG 4.28Å
82	Q	87.9	Confident	88.6	Confident	128 Å²	128	57 Å²	57	60%	0.598	31%	0.309	S	S	*	.	H	α-helix	trans	-57.8	-40.4	173.4	-70.1	173.9	23.4	0	0	112.1	S78 T85 A86	S78-Q82 VanDerWaalsContact O-CG 3.32Å; S78-Q82 WeakPolarHBondContact O-CG 2.77Å; S78-Q82 PolarHBondContact O-N 2.85Å; S78-Q82 PolarHBondContact OG-NE2 2.85Å; Q82-T85 PolarHBondContact O-N 2.71Å; Q82-A86 WeakPolarHBondContact O-CB 3.41Å; Q82-A86 PolarHBondContact O-N 2.89Å
83	H	89.5	Confident	88.5	Confident	17 Å²	17	52.6 Å²	52.6	8%	0.079	29%	0.292	C	S	.	.	H	α-helix	trans	-68.7	-36	176.4	170.2	44.1	0	0	0	113.2	C67 C70 K72 L74 A79 T80 L81 A86 E87 H88	C67-H83 PolarHBondContact SG-CD2 2.68Å; C67-H83 PolarHBondContact SG-NE2 2.62Å; C67-H83 VanDerWaalsContact SG-NE2 3.36Å; C70-H83 PolarHBondContact SG-NE2 2.8Å; C70-H83 VanDerWaalsContact SG-NE2 3.41Å; K72-H83 WeakPolarHBondContact CD-NE2 3.48Å; L74-H83 HydrophobicContact CD2-CB 3.51Å; A79-H83 VanDerWaalsContact O-CB 3.3Å; A79-H83 WeakPolarHBondContact O-CB 3.5Å; A79-H83 PolarHBondContact O-N 3.33Å; T80-H83 PolarHBondContact O-N 3.46Å; L81-H83 VanDerWaalsContact C-N 3.28Å; L81-H83 PolarHBondContact O-N 2.82Å; H83-A86 PolarHBondContact O-N 2.83Å; H83-E87 VanDerWaalsContact ND1-CG 3.29Å; H83-E87 WeakPolarHBondContact ND1-CG 3.49Å; H83-E87 PolarHBondContact O-N 2.85Å; H83-H88 AromaticContact CE1-NE2 3.92Å; H83-H88 AromaticContact NE2-NE2 3.89Å
84	C	89.1	Confident	88.3	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.5	-43.7	171.1	-66.7	0	0	0	0	111.4	F69 T80 L81 H88 Q89 L90	F69-C84 HydrophobicContact CD2-CB 4.49Å; F69-C84 HydrophobicContact CE2-CB 4.37Å; T80-C84 PolarHBondContact O-N 2.82Å; T80-C84 PolarHBondContact O-SG 2.9Å; L81-C84 WeakPolarHBondContact O-CB 3.5Å; L81-C84 PolarHBondContact O-N 2.93Å; L81-C84 VanDerWaalsContact O-N 3.15Å; C84-H88 CarbonylContact O-C 3.57Å; C84-H88 VanDerWaalsContact O-C 3.25Å; C84-H88 VanDerWaalsContact O-CA 3.31Å; C84-H88 WeakPolarHBondContact O-CA 3.46Å; C84-H88 VanDerWaalsContact O-CB 3.31Å; C84-H88 WeakPolarHBondContact O-CB 3.43Å; C84-H88 PolarHBondContact O-N 3.38Å; C84-H88 VanDerWaalsContact O-N 3.12Å; C84-Q89 PolarHBondContact O-N 2.68Å; C84-Q89 VanDerWaalsContact O-N 3.08Å; C84-L90 CarbonylContact C-O 3.58Å; C84-L90 PolarHBondContact O-N 2.94Å
85	T	89.9	Confident	88.1	Confident	62 Å²	62	51.3 Å²	51.3	38%	0.38	29%	0.286	S	S	.	.	H	α-helix	trans	-65.4	-43.3	175.5	-54.7	0	0	0	0	112	L81 Q82 Q89 L90 N91	L81-T85 PolarHBondContact O-N 3.18Å; L81-T85 PolarHBondContact O-OG1 2.9Å; Q82-T85 PolarHBondContact O-N 2.71Å; T85-Q89 VanDerWaalsContact O-CA 3.26Å; T85-Q89 WeakPolarHBondContact O-CA 3.29Å; T85-Q89 PolarHBondContact O-N 3.47Å; T85-L90 PolarHBondContact N-O 2.87Å; T85-N91 HydrophobicContact CG2-CB 4.39Å; T85-N91 WeakPolarHBondContact OG1-CA 3.15Å
86	A	88.6	Confident	88.2	Confident	71 Å²	71	45.5 Å²	45.5	59%	0.587	26%	0.255	S	S	*	.	H	α-helix	trans	-75.3	-50.4	-174.2	0	0	0	0	0	114.3	Q82 H83	Q82-A86 WeakPolarHBondContact O-CB 3.41Å; Q82-A86 PolarHBondContact O-N 2.89Å; H83-A86 PolarHBondContact O-N 2.83Å
87	E	90	Very high	88.2	Confident	132 Å²	132	48.2 Å²	48.2	62%	0.617	26%	0.258	S	S	*	.	H	α-helix	trans	-96.8	-28.7	-172.5	-61.7	-65.1	152.7	0	0	112.6	H83	H83-E87 VanDerWaalsContact ND1-CG 3.29Å; H83-E87 WeakPolarHBondContact ND1-CG 3.49Å; H83-E87 PolarHBondContact O-N 2.85Å
88	H	88.3	Confident	88.1	Confident	44 Å²	44	51.2 Å²	51.2	20%	0.204	27%	0.269	C	S	.	.	H	α-helix	trans	-107.6	1.7	-178.6	-55.9	-65.3	0	0	0	113.4	C67 F69 C70 H83 C84 L90 A120	C67-H88 VanDerWaalsContact SG-CD2 3.59Å; F69-H88 HydrophobicContact CB-CB 4.29Å; F69-H88 HydrophobicContact CD2-CB 3.8Å; F69-H88 AromaticContact CD2-CG 3.93Å; F69-H88 HydrophobicContact CG-CB 4.27Å; C70-H88 PolarHBondContact SG-NE2 2.86Å; H83-H88 AromaticContact CE1-NE2 3.92Å; H83-H88 AromaticContact NE2-NE2 3.89Å; C84-H88 CarbonylContact O-C 3.57Å; C84-H88 VanDerWaalsContact O-C 3.25Å; C84-H88 VanDerWaalsContact O-CA 3.31Å; C84-H88 WeakPolarHBondContact O-CA 3.46Å; C84-H88 VanDerWaalsContact O-CB 3.31Å; C84-H88 WeakPolarHBondContact O-CB 3.43Å; C84-H88 PolarHBondContact O-N 3.38Å; C84-H88 VanDerWaalsContact O-N 3.12Å; H88-L90 PolarHBondContact O-N 2.95Å; H88-L90 VanDerWaalsContact O-N 3.09Å; H88-A120 HydrophobicContact CB-CB 4.08Å; H88-A120 WeakPolarHBondContact O-CB 3.26Å
89	Q	87.3	Confident	88	Confident	156 Å²	156	49.1 Å²	49.1	73%	0.729	25%	0.251	S	S	*	.			trans	59.9	14.9	175.4	-67.3	154.6	61.1	0	0	114.6	C84 T85 M124	C84-Q89 PolarHBondContact O-N 2.68Å; C84-Q89 VanDerWaalsContact O-N 3.08Å; T85-Q89 VanDerWaalsContact O-CA 3.26Å; T85-Q89 WeakPolarHBondContact O-CA 3.29Å; T85-Q89 PolarHBondContact O-N 3.47Å; Q89-M124 VanDerWaalsContact C-CE 3.49Å; Q89-M124 HydrophobicContact CB-CE 4.17Å; Q89-M124 WeakPolarHBondContact O-CE 3.45Å
90	L	87.4	Confident	88	Confident	7 Å²	7	53 Å²	53	4%	0.037	28%	0.277	C	S	.	.			trans	-118.5	113.9	-176.7	-175.1	148.2	0	0	0	110.9	F69 C84 T85 H88 V92 V95 A120 L123 M124	F69-L90 HydrophobicContact CE2-CB 4.47Å; F69-L90 HydrophobicContact CE2-CD2 4.09Å; F69-L90 HydrophobicContact CZ-CD1 4.13Å; F69-L90 HydrophobicContact CZ-CD2 4.09Å; C84-L90 CarbonylContact C-O 3.58Å; C84-L90 PolarHBondContact O-N 2.94Å; T85-L90 PolarHBondContact N-O 2.87Å; H88-L90 PolarHBondContact O-N 2.95Å; H88-L90 VanDerWaalsContact O-N 3.09Å; L90-V92 HydrophobicContact CD2-CG2 3.88Å; L90-V95 HydrophobicContact CD1-CG2 4.23Å; L90-V95 HydrophobicContact CD2-CG2 4.01Å; L90-V95 HydrophobicContact CG-CG2 4.12Å; L90-A120 HydrophobicContact CB-CB 3.94Å; L90-A120 HydrophobicContact CD1-CB 4.08Å; L90-A120 WeakPolarHBondContact CD1-O 3.19Å; L90-L123 HydrophobicContact CD1-CB 3.74Å; L90-L123 HydrophobicContact CD1-CD1 3.72Å; L90-L123 HydrophobicContact CD1-CG 4.36Å; L90-M124 HydrophobicContact CB-CE 3.76Å; L90-M124 HydrophobicContact CD1-CE 4.37Å; L90-M124 HydrophobicContact CD1-CG 4.44Å; L90-M124 HydrophobicContact CG-CE 4.44Å
91	N	89.6	Confident	87.8	Confident	33 Å²	33	53.9 Å²	53.9	18%	0.176	28%	0.281	C	S	.	.			trans	-82.2	117.9	165.8	-178.4	8.8	0	0	0	109.4	T85 V93 D94 V95	T85-N91 HydrophobicContact CG2-CB 4.39Å; T85-N91 WeakPolarHBondContact OG1-CA 3.15Å; N91-V93 VanDerWaalsContact C-N 3.27Å; N91-V93 PolarHBondContact O-N 3.43Å; N91-V93 WeakPolarHBondContact OD1-CB 3.36Å; N91-V93 PolarHBondContact OD1-N 3.46Å; N91-V93 VanDerWaalsContact OD1-N 3.12Å; N91-D94 HydrophobicContact CB-CB 4.22Å; N91-D94 WeakPolarHBondContact CB-OD2 3.41Å; N91-D94 PolarHBondContact ND2-OD2 2.87Å; N91-D94 PolarHBondContact O-N 2.82Å; N91-V95 PolarHBondContact O-N 2.87Å
92	V	87.6	Confident	87.6	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.012	30%	0.301	C	S	.	.	H	α-helix	trans	-66.2	-32.9	-179.4	-176.7	0	0	0	0	111.1	L68 L81 L90 D94 V95 I96 Y106 M109	L68-V92 HydrophobicContact CD1-CG2 3.98Å; L81-V92 HydrophobicContact CD2-CB 3.92Å; L81-V92 HydrophobicContact CD2-CG1 4.47Å; L81-V92 HydrophobicContact CD2-CG2 3.67Å; L90-V92 HydrophobicContact CD2-CG2 3.88Å; V92-D94 VanDerWaalsContact C-N 3.3Å; V92-D94 PolarHBondContact O-N 2.85Å; V92-V95 PolarHBondContact O-N 2.94Å; V92-V95 VanDerWaalsContact O-N 3.09Å; V92-I96 HydrophobicContact CG1-CD1 4.25Å; V92-I96 WeakPolarHBondContact O-CG1 3.27Å; V92-I96 PolarHBondContact O-N 2.88Å; V92-Y106 HydrophobicContact CG1-CE2 4.12Å; V92-M109 HydrophobicContact CG1-CE 3.77Å
93	V	87.1	Confident	87.7	Confident	14 Å²	14	55.2 Å²	55.2	9%	0.085	29%	0.293	C	S	.	.	H	α-helix	trans	-62.7	-38	178.3	-172.6	0	0	0	0	111.1	N91 V95 I96 R97 L156	N91-V93 VanDerWaalsContact C-N 3.27Å; N91-V93 PolarHBondContact O-N 3.43Å; N91-V93 WeakPolarHBondContact OD1-CB 3.36Å; N91-V93 PolarHBondContact OD1-N 3.46Å; N91-V93 VanDerWaalsContact OD1-N 3.12Å; V93-V95 VanDerWaalsContact C-N 3.32Å; V93-V95 PolarHBondContact O-N 3.27Å; V93-I96 PolarHBondContact O-N 3.49Å; V93-R97 VanDerWaalsContact CG1-CZ 3.47Å; V93-R97 WeakPolarHBondContact O-CB 3.11Å; V93-R97 VanDerWaalsContact O-CG 3.26Å; V93-R97 WeakPolarHBondContact O-CG 3.34Å; V93-R97 PolarHBondContact O-N 2.9Å; V93-L156 HydrophobicContact CG2-CB 4.38Å
94	D	87.3	Confident	87.7	Confident	85 Å²	85	61.3 Å²	61.3	46%	0.455	32%	0.316	S	S	.	.	H	α-helix	trans	-70.5	-28.4	176.3	-66.3	-32.3	0	0	0	112.3	N91 V92 R97 K98	N91-D94 HydrophobicContact CB-CB 4.22Å; N91-D94 WeakPolarHBondContact CB-OD2 3.41Å; N91-D94 PolarHBondContact ND2-OD2 2.87Å; N91-D94 PolarHBondContact O-N 2.82Å; V92-D94 VanDerWaalsContact C-N 3.3Å; V92-D94 PolarHBondContact O-N 2.85Å; D94-R97 IonicContact OD1-NH1 3.67Å; D94-K98 WeakPolarHBondContact O-CB 3.36Å; D94-K98 PolarHBondContact O-N 3.25Å
95	V	87	Confident	87.7	Confident	12 Å²	12	61.8 Å²	61.8	7%	0.073	32%	0.321	C	S	.	.	H	α-helix	trans	-72.2	-42.5	173.2	-173.6	0	0	0	0	111.1	L90 N91 V92 V93 K98 H99 M109	L90-V95 HydrophobicContact CD1-CG2 4.23Å; L90-V95 HydrophobicContact CD2-CG2 4.01Å; L90-V95 HydrophobicContact CG-CG2 4.12Å; N91-V95 PolarHBondContact O-N 2.87Å; V92-V95 PolarHBondContact O-N 2.94Å; V92-V95 VanDerWaalsContact O-N 3.09Å; V93-V95 VanDerWaalsContact C-N 3.32Å; V93-V95 PolarHBondContact O-N 3.27Å; V95-K98 PolarHBondContact O-N 3.02Å; V95-H99 PolarHBondContact O-CD2 2.92Å; V95-H99 PolarHBondContact O-N 3.21Å; V95-H99 VanDerWaalsContact O-N 3.09Å; V95-M109 HydrophobicContact CB-SD 4.2Å; V95-M109 HydrophobicContact CG1-SD 3.51Å; V95-M109 VanDerWaalsContact CG1-SD 3.51Å
96	I	88.2	Confident	87.9	Confident	8 Å²	8	58.9 Å²	58.9	4%	0.041	30%	0.303	C	S	.	.	H	α-helix	trans	-56.9	-51.6	173.2	-65.9	165.1	0	0	0	109.9	V92 V93 H99 S100 L101 Y106 M109 P153	V92-I96 HydrophobicContact CG1-CD1 4.25Å; V92-I96 WeakPolarHBondContact O-CG1 3.27Å; V92-I96 PolarHBondContact O-N 2.88Å; V93-I96 PolarHBondContact O-N 3.49Å; I96-H99 PolarHBondContact O-N 2.88Å; I96-S100 WeakPolarHBondContact O-CA 3.44Å; I96-S100 PolarHBondContact O-N 2.83Å; I96-L101 HydrophobicContact CG1-CD1 4.41Å; I96-L101 HydrophobicContact CG2-CB 4.38Å; I96-L101 PolarHBondContact O-N 2.67Å; I96-Y106 HydrophobicContact CD1-CD2 3.69Å; I96-Y106 HydrophobicContact CD1-CE2 3.85Å; I96-Y106 HydrophobicContact CG1-CD2 3.99Å; I96-M109 HydrophobicContact CG1-CE 4.31Å; I96-P153 HydrophobicContact CD1-CB 4.11Å; I96-P153 HydrophobicContact CG2-CB 4.48Å
97	R	86.8	Confident	88.1	Confident	104 Å²	104	57.6 Å²	57.6	39%	0.392	29%	0.286	S	S	.	.	H	α-helix	trans	-63.9	-41.7	179.1	-69.9	168.6	176.9	165.3	-3.6	113	V93 D94 H99 C157	V93-R97 VanDerWaalsContact CG1-CZ 3.47Å; V93-R97 WeakPolarHBondContact O-CB 3.11Å; V93-R97 VanDerWaalsContact O-CG 3.26Å; V93-R97 WeakPolarHBondContact O-CG 3.34Å; V93-R97 PolarHBondContact O-N 2.9Å; D94-R97 IonicContact OD1-NH1 3.67Å; R97-H99 PolarHBondContact O-N 3.07Å; R97-C157 PolarHBondContact NH2-O 3.41Å
98	K	85.3	Confident	88.2	Confident	88 Å²	88	52.2 Å²	52.2	38%	0.383	26%	0.26	S	S	.	.	H	α-helix	trans	-65.9	-34.3	-179.5	176.4	-172.9	168.9	-153.2	0	113	D94 V95 M124 L126	D94-K98 WeakPolarHBondContact O-CB 3.36Å; D94-K98 PolarHBondContact O-N 3.25Å; V95-K98 PolarHBondContact O-N 3.02Å; K98-M124 PolarHBondContact NZ-O 2.98Å; K98-L126 WeakPolarHBondContact CE-O 3.4Å; K98-L126 PolarHBondContact NZ-O 3.43Å
99	H	84.8	Confident	88.5	Confident	24 Å²	24	50.3 Å²	50.3	11%	0.111	25%	0.251	C	S	.	.	H	α-helix	trans	-110.1	5.8	-175.4	-65.6	-75.4	0	0	0	113.9	V95 I96 R97 L101 L131	V95-H99 PolarHBondContact O-CD2 2.92Å; V95-H99 PolarHBondContact O-N 3.21Å; V95-H99 VanDerWaalsContact O-N 3.09Å; I96-H99 PolarHBondContact O-N 2.88Å; R97-H99 PolarHBondContact O-N 3.07Å; H99-L101 VanDerWaalsContact C-N 3.32Å; H99-L101 HydrophobicContact CB-CD2 3.9Å; H99-L101 HydrophobicContact CB-CG 4.12Å; H99-L101 PolarHBondContact O-N 2.96Å; H99-L131 HydrophobicContact CB-CD1 4.43Å; H99-L131 HydrophobicContact CB-CD2 4.34Å; H99-L131 WeakPolarHBondContact ND1-CD2 3.41Å
100	S	86.1	Confident	88.8	Confident	110 Å²	110	42.9 Å²	42.9	77%	0.769	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	48.6	-179.6	-58.3	0	0	0	0	113	I96	I96-S100 WeakPolarHBondContact O-CA 3.44Å; I96-S100 PolarHBondContact O-N 2.83Å
101	L	86.5	Confident	89.1	Confident	19 Å²	19	42.5 Å²	42.5	10%	0.099	22%	0.215	C	C	.	.			trans	-73.2	131.6	-177.1	-55.7	-178.3	0	0	0	111.2	I96 H99 M109 L131 W133	I96-L101 HydrophobicContact CG1-CD1 4.41Å; I96-L101 HydrophobicContact CG2-CB 4.38Å; I96-L101 PolarHBondContact O-N 2.67Å; H99-L101 VanDerWaalsContact C-N 3.32Å; H99-L101 HydrophobicContact CB-CD2 3.9Å; H99-L101 HydrophobicContact CB-CG 4.12Å; H99-L101 PolarHBondContact O-N 2.96Å; L101-M109 HydrophobicContact CD1-CB 4.18Å; L101-M109 HydrophobicContact CD1-CE 3.94Å; L101-M109 HydrophobicContact CD1-CG 4.5Å; L101-M109 HydrophobicContact CD1-SD 3.65Å; L101-L131 HydrophobicContact CD2-CD1 3.76Å; L101-W133 HydrophobicContact CD1-CZ2 4.4Å; L101-W133 HydrophobicContact CD2-CZ2 4.42Å
102	D	86.3	Confident	89.3	Confident	93 Å²	93	41.6 Å²	41.6	50%	0.497	21%	0.209	S	C	.	.			trans	-84.7	-179.8	162.4	64.6	-12.1	0	0	0	110.8	Y104 G105 Y106	D102-Y104 PolarHBondContact O-N 2.74Å; D102-G105 CarbonylContact O-C 3.25Å; D102-G105 PolarHBondContact O-N 3.45Å; D102-G105 VanDerWaalsContact O-N 3.07Å; D102-G105 WeakPolarHBondContact OD1-CA 3.21Å; D102-G105 PolarHBondContact OD1-N 2.91Å; D102-Y106 WeakPolarHBondContact O-CB 3.46Å; D102-Y106 PolarHBondContact O-N 3.31Å
103	D	88.8	Confident	89.6	Confident	79 Å²	79	41.7 Å²	41.7	42%	0.422	21%	0.21	S	C	.	.	H	α-helix	trans	-50.9	-44.7	179.7	-43.9	-33.9	0	0	0	112.1	Y106 I107 P153	D103-Y106 PolarHBondContact O-N 2.91Å; D103-I107 WeakPolarHBondContact O-CB 3.45Å; D103-I107 WeakPolarHBondContact O-CD1 3.48Å; D103-I107 VanDerWaalsContact O-CG1 3.25Å; D103-I107 WeakPolarHBondContact O-CG1 3.21Å; D103-I107 PolarHBondContact O-N 2.83Å; D103-P153 WeakPolarHBondContact OD1-CG 3.32Å
104	Y	90.3	Very high	89.8	Confident	144 Å²	144	42.5 Å²	42.5	57%	0.565	21%	0.211	S	C	*	.	H	α-helix	trans	-69.6	-41.3	179.5	-61	-78.9	0	0	0	111.9	D102 Y106 K108 L139	D102-Y104 PolarHBondContact O-N 2.74Å; Y104-Y106 VanDerWaalsContact C-N 3.34Å; Y104-K108 VanDerWaalsContact O-CB 3.25Å; Y104-K108 WeakPolarHBondContact O-CB 3.43Å; Y104-K108 WeakPolarHBondContact O-CG 3.25Å; Y104-K108 PolarHBondContact O-N 2.63Å; Y104-L139 HydrophobicContact CD1-CD2 4.01Å
105	G	89.4	Confident	90	Very high	10 Å²	10	41.1 Å²	41.1	10%	0.103	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-37.4	173.3	0	0	0	0	0	113	D102 M109	D102-G105 CarbonylContact O-C 3.25Å; D102-G105 PolarHBondContact O-N 3.45Å; D102-G105 VanDerWaalsContact O-N 3.07Å; D102-G105 WeakPolarHBondContact OD1-CA 3.21Å; D102-G105 PolarHBondContact OD1-N 2.91Å; G105-M109 WeakPolarHBondContact O-CB 3.34Å; G105-M109 PolarHBondContact O-N 2.99Å
106	Y	93	Very high	90	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-67.1	-51.5	174.1	174.6	-110.8	0	0	0	111.4	V92 I96 D102 D103 Y104 K108 M109 I110 L148 T151 P153 L156	V92-Y106 HydrophobicContact CG1-CE2 4.12Å; I96-Y106 HydrophobicContact CD1-CD2 3.69Å; I96-Y106 HydrophobicContact CD1-CE2 3.85Å; I96-Y106 HydrophobicContact CG1-CD2 3.99Å; D102-Y106 WeakPolarHBondContact O-CB 3.46Å; D102-Y106 PolarHBondContact O-N 3.31Å; D103-Y106 PolarHBondContact O-N 2.91Å; Y104-Y106 VanDerWaalsContact C-N 3.34Å; Y106-K108 VanDerWaalsContact C-N 3.34Å; Y106-K108 PolarHBondContact O-N 3.08Å; Y106-M109 HydrophobicContact CD2-CE 3.75Å; Y106-M109 HydrophobicContact CE2-CE 4.16Å; Y106-M109 WeakPolarHBondContact O-CB 3.37Å; Y106-M109 PolarHBondContact O-N 3.06Å; Y106-M109 VanDerWaalsContact O-N 3.13Å; Y106-I110 HydrophobicContact CD2-CG1 4.24Å; Y106-I110 HydrophobicContact CE1-CG1 4.32Å; Y106-I110 HydrophobicContact CE2-CD1 3.93Å; Y106-I110 HydrophobicContact CE2-CG1 3.88Å; Y106-I110 WeakPolarHBondContact O-CG1 3.28Å; Y106-I110 PolarHBondContact O-N 3.18Å; Y106-L148 WeakPolarHBondContact CE1-O 3.37Å; Y106-L148 PolarHBondContact OH-O 2.86Å; Y106-T151 WeakPolarHBondContact CE1-O 3.47Å; Y106-P153 HydrophobicContact CD1-CB 4.35Å; Y106-P153 HydrophobicContact CD1-CG 4.48Å; Y106-P153 HydrophobicContact CD2-CB 4.45Å; Y106-P153 HydrophobicContact CG-CB 4.11Å; Y106-P153 HydrophobicContact CG-CG 4.48Å; Y106-L156 HydrophobicContact CE2-CD1 4.41Å
107	I	93.1	Very high	89.9	Confident	43 Å²	43	51.5 Å²	51.5	22%	0.221	26%	0.261	C	S	.	.	H	α-helix	trans	-55.9	-47.3	175	-73.8	165.5	0	0	0	111	D103 M109 I110 N111 L139 L149	D103-I107 WeakPolarHBondContact O-CB 3.45Å; D103-I107 WeakPolarHBondContact O-CD1 3.48Å; D103-I107 VanDerWaalsContact O-CG1 3.25Å; D103-I107 WeakPolarHBondContact O-CG1 3.21Å; D103-I107 PolarHBondContact O-N 2.83Å; I107-M109 PolarHBondContact O-N 3.14Å; I107-I110 PolarHBondContact O-N 2.95Å; I107-N111 WeakPolarHBondContact O-CB 3.5Å; I107-N111 PolarHBondContact O-N 3.39Å; I107-N111 PolarHBondContact O-ND2 2.74Å; I107-L139 HydrophobicContact CG2-CD2 4.33Å; I107-L149 HydrophobicContact CB-CD2 4.32Å; I107-L149 HydrophobicContact CG1-CD2 4.22Å; I107-L149 HydrophobicContact CG2-CD2 4.19Å
108	K	92.7	Very high	89.9	Confident	20 Å²	20	47.4 Å²	47.4	9%	0.087	25%	0.249	C	C	.	.	H	α-helix	trans	-59.2	-44.5	175.9	-78.2	175.5	171.1	-172.6	0	111.8	Y104 Y106 F112 W133 D134 E136 F138 L139	Y104-K108 VanDerWaalsContact O-CB 3.25Å; Y104-K108 WeakPolarHBondContact O-CB 3.43Å; Y104-K108 WeakPolarHBondContact O-CG 3.25Å; Y104-K108 PolarHBondContact O-N 2.63Å; Y106-K108 VanDerWaalsContact C-N 3.34Å; Y106-K108 PolarHBondContact O-N 3.08Å; K108-F112 VanDerWaalsContact O-CB 3.23Å; K108-F112 WeakPolarHBondContact O-CB 3.33Å; K108-F112 PolarHBondContact O-N 2.91Å; K108-W133 HydrophobicContact CB-CB 4.3Å; K108-W133 HydrophobicContact CB-CG 4.43Å; K108-W133 WeakPolarHBondContact CB-O 3.49Å; K108-W133 WeakPolarHBondContact CD-O 3.39Å; K108-D134 PolarHBondContact NZ-O 3.06Å; K108-E136 WeakPolarHBondContact CE-OE1 3.11Å; K108-E136 IonicContact NZ-OE1 2.87Å; K108-E136 PolarHBondContact NZ-OE1 2.94Å; K108-F138 HydrophobicContact CB-CB 4.07Å; K108-F138 HydrophobicContact CG-CB 4.07Å; K108-L139 HydrophobicContact CD-CD2 4.39Å; K108-L139 HydrophobicContact CG-CD2 3.86Å; K108-L139 HydrophobicContact CG-CG 4.23Å
109	M	93.8	Very high	89.9	Confident	3 Å²	3	46.4 Å²	46.4	2%	0.015	25%	0.252	C	S	.	.	H	α-helix	trans	-61.4	-49.3	176.7	179.5	-173.6	62.9	0	0	111.9	V92 V95 I96 L101 G105 Y106 I107 N111 F112 I113 W133	V92-M109 HydrophobicContact CG1-CE 3.77Å; V95-M109 HydrophobicContact CB-SD 4.2Å; V95-M109 HydrophobicContact CG1-SD 3.51Å; V95-M109 VanDerWaalsContact CG1-SD 3.51Å; I96-M109 HydrophobicContact CG1-CE 4.31Å; L101-M109 HydrophobicContact CD1-CB 4.18Å; L101-M109 HydrophobicContact CD1-CE 3.94Å; L101-M109 HydrophobicContact CD1-CG 4.5Å; L101-M109 HydrophobicContact CD1-SD 3.65Å; G105-M109 WeakPolarHBondContact O-CB 3.34Å; G105-M109 PolarHBondContact O-N 2.99Å; Y106-M109 HydrophobicContact CD2-CE 3.75Å; Y106-M109 HydrophobicContact CE2-CE 4.16Å; Y106-M109 WeakPolarHBondContact O-CB 3.37Å; Y106-M109 PolarHBondContact O-N 3.06Å; Y106-M109 VanDerWaalsContact O-N 3.13Å; I107-M109 PolarHBondContact O-N 3.14Å; M109-N111 PolarHBondContact O-N 3.26Å; M109-F112 PolarHBondContact O-N 3.46Å; M109-I113 HydrophobicContact CG-CD1 3.96Å; M109-I113 VanDerWaalsContact O-CG1 3.28Å; M109-I113 WeakPolarHBondContact O-CG1 3.38Å; M109-I113 PolarHBondContact O-N 3.12Å; M109-W133 HydrophobicContact CB-CD2 4.04Å; M109-W133 HydrophobicContact CB-CG 4.26Å; M109-W133 HydrophobicContact CB-CZ2 4.24Å; M109-W133 HydrophobicContact CG-CD2 4.27Å; M109-W133 HydrophobicContact CG-CE3 4.4Å; M109-W133 HydrophobicContact CG-CH2 4.23Å; M109-W133 HydrophobicContact CG-CZ2 4.05Å; M109-W133 HydrophobicContact CG-CZ3 4.4Å; M109-W133 HydrophobicContact SD-CH2 4.46Å; M109-W133 HydrophobicContact SD-CZ2 4.27Å
110	I	94.6	Very high	89.9	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59.9	-49.3	179.9	-64.6	-67.9	0	0	0	110.3	L68 Y106 I107 F112 I113 R114 L148 L149	L68-I110 HydrophobicContact CD1-CD1 3.87Å; L68-I110 HydrophobicContact CD2-CD1 3.9Å; L68-I110 HydrophobicContact CD2-CG2 4.19Å; Y106-I110 HydrophobicContact CD2-CG1 4.24Å; Y106-I110 HydrophobicContact CE1-CG1 4.32Å; Y106-I110 HydrophobicContact CE2-CD1 3.93Å; Y106-I110 HydrophobicContact CE2-CG1 3.88Å; Y106-I110 WeakPolarHBondContact O-CG1 3.28Å; Y106-I110 PolarHBondContact O-N 3.18Å; I107-I110 PolarHBondContact O-N 2.95Å; I110-F112 PolarHBondContact O-N 2.85Å; I110-I113 PolarHBondContact O-N 3.02Å; I110-R114 WeakPolarHBondContact O-CG 3.3Å; I110-R114 PolarHBondContact O-N 2.84Å; I110-L148 HydrophobicContact CD1-CB 4.44Å; I110-L148 HydrophobicContact CG2-CB 4.17Å; I110-L149 HydrophobicContact CB-CD2 3.74Å; I110-L149 HydrophobicContact CG1-CD2 4.49Å; I110-L149 HydrophobicContact CG2-CD2 3.55Å; I110-L149 HydrophobicContact CG2-CG 4.18Å
111	N	93.7	Very high	89.7	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.8	-37.8	177.3	-78.3	-40.4	0	0	0	112.9	I107 M109 I113 R114 A115 F138 K140 P141 V142	I107-N111 WeakPolarHBondContact O-CB 3.5Å; I107-N111 PolarHBondContact O-N 3.39Å; I107-N111 PolarHBondContact O-ND2 2.74Å; M109-N111 PolarHBondContact O-N 3.26Å; N111-I113 PolarHBondContact O-N 2.91Å; N111-R114 PolarHBondContact O-N 2.96Å; N111-A115 VanDerWaalsContact O-CB 3.24Å; N111-A115 WeakPolarHBondContact O-CB 3.37Å; N111-A115 PolarHBondContact O-N 2.7Å; N111-F138 HydrophobicContact CB-CB 4.29Å; N111-F138 VanDerWaalsContact CB-O 3.24Å; N111-F138 WeakPolarHBondContact CB-O 3.49Å; N111-F138 PolarHBondContact ND2-O 2.9Å; N111-K140 PolarHBondContact ND2-O 3.49Å; N111-P141 WeakPolarHBondContact OD1-CA 3.37Å; N111-V142 HydrophobicContact CB-CG2 3.99Å; N111-V142 WeakPolarHBondContact O-CG2 3.47Å; N111-V142 PolarHBondContact OD1-N 3.48Å
112	F	93.2	Very high	89.6	Confident	14 Å²	14	47 Å²	47	6%	0.061	25%	0.247	C	C	.	.	H	α-helix	trans	-60.2	-44.2	173.5	171.4	-88	0	0	0	112.2	K108 M109 I110 A115 T116 C118 Y122 L123 P132 W133 F138	K108-F112 VanDerWaalsContact O-CB 3.23Å; K108-F112 WeakPolarHBondContact O-CB 3.33Å; K108-F112 PolarHBondContact O-N 2.91Å; M109-F112 PolarHBondContact O-N 3.46Å; I110-F112 PolarHBondContact O-N 2.85Å; F112-A115 PolarHBondContact O-N 2.83Å; F112-T116 HydrophobicContact CD2-CG2 3.93Å; F112-T116 HydrophobicContact CE1-CG2 4.44Å; F112-T116 HydrophobicContact CE2-CG2 3.71Å; F112-T116 HydrophobicContact CG-CG2 4.38Å; F112-T116 HydrophobicContact CZ-CG2 3.98Å; F112-T116 WeakPolarHBondContact O-CB 3.45Å; F112-T116 WeakPolarHBondContact O-CG2 3.44Å; F112-T116 PolarHBondContact O-N 3.01Å; F112-T116 PolarHBondContact O-OG1 2.96Å; F112-C118 HydrophobicContact CE1-CB 4.4Å; F112-Y122 HydrophobicContact CE1-CE1 4.19Å; F112-Y122 HydrophobicContact CZ-CE1 4.08Å; F112-L123 HydrophobicContact CE1-CD2 4.4Å; F112-P132 WeakPolarHBondContact CD2-O 3.29Å; F112-P132 HydrophobicContact CE1-CG 4.17Å; F112-P132 HydrophobicContact CE2-CB 3.73Å; F112-P132 HydrophobicContact CE2-CG 4.18Å; F112-P132 WeakPolarHBondContact CE2-O 3.49Å; F112-P132 HydrophobicContact CZ-CB 3.71Å; F112-P132 HydrophobicContact CZ-CG 3.79Å; F112-W133 HydrophobicContact CB-CB 3.47Å; F112-W133 VanDerWaalsContact CB-CB 3.47Å; F112-W133 HydrophobicContact CB-CG 4.43Å; F112-W133 AromaticContact CD1-CE3 3.85Å; F112-W133 HydrophobicContact CD1-CE3 3.85Å; F112-W133 HydrophobicContact CD2-CB 3.94Å; F112-W133 HydrophobicContact CE1-CE3 4.21Å; F112-W133 HydrophobicContact CG-CB 3.75Å; F112-W133 HydrophobicContact CG-CE3 4.19Å; F112-F138 HydrophobicContact CB-CD1 4.02Å; F112-F138 HydrophobicContact CB-CE1 4.16Å; F112-F138 HydrophobicContact CB-CG 4.28Å; F112-F138 HydrophobicContact CD2-CE1 4Å; F112-F138 AromaticContact CD2-CE2 3.98Å; F112-F138 HydrophobicContact CD2-CE2 3.98Å; F112-F138 AromaticContact CD2-CZ 3.66Å; F112-F138 HydrophobicContact CD2-CZ 3.66Å; F112-F138 HydrophobicContact CE2-CZ 4.44Å
113	I	93	Very high	89.4	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-63.6	-47	177.9	-63.7	165	0	0	0	110	L68 F69 M109 I110 N111 A115 K117 L123	L68-I113 HydrophobicContact CB-CG2 4.13Å; L68-I113 HydrophobicContact CD1-CD1 4.49Å; L68-I113 HydrophobicContact CD2-CG2 4.32Å; F69-I113 HydrophobicContact CD1-CG2 4.1Å; F69-I113 HydrophobicContact CE1-CG2 3.68Å; F69-I113 HydrophobicContact CZ-CD1 4.3Å; F69-I113 HydrophobicContact CZ-CG2 4.28Å; M109-I113 HydrophobicContact CG-CD1 3.96Å; M109-I113 VanDerWaalsContact O-CG1 3.28Å; M109-I113 WeakPolarHBondContact O-CG1 3.38Å; M109-I113 PolarHBondContact O-N 3.12Å; I110-I113 PolarHBondContact O-N 3.02Å; N111-I113 PolarHBondContact O-N 2.91Å; I113-A115 PolarHBondContact O-N 2.86Å; I113-K117 WeakPolarHBondContact O-CA 3.48Å; I113-K117 PolarHBondContact O-N 2.86Å; I113-L123 HydrophobicContact CD1-CD1 3.63Å; I113-L123 HydrophobicContact CG1-CD1 3.9Å; I113-L123 HydrophobicContact CG1-CD2 4.39Å
114	R	92.4	Very high	88.8	Confident	31 Å²	31	43 Å²	43	12%	0.117	22%	0.224	C	C	.	.	H	α-helix	trans	-59.2	-44.7	176.5	-66.7	-70	-162.3	-147.7	0.6	112.4	I66 C67 I110 N111 V142 D146	I66-R114 PolarHBondContact O-NH1 2.84Å; I66-R114 PolarHBondContact O-NH2 2.83Å; C67-R114 PolarHBondContact O-NH1 2.96Å; I110-R114 WeakPolarHBondContact O-CG 3.3Å; I110-R114 PolarHBondContact O-N 2.84Å; N111-R114 PolarHBondContact O-N 2.96Å; R114-V142 HydrophobicContact CB-CB 3.7Å; R114-V142 HydrophobicContact CB-CG1 3.75Å; R114-V142 HydrophobicContact CB-CG2 4.12Å; R114-D146 IonicContact CZ-OD2 2.71Å; R114-D146 IonicContact NE-OD2 3.88Å; R114-D146 PolarHBondContact NE-OD2 3.04Å; R114-D146 VanDerWaalsContact NH2-CG 3.32Å; R114-D146 IonicContact NH2-OD1 3.74Å; R114-D146 PolarHBondContact NH2-OD1 2.9Å; R114-D146 IonicContact NH2-OD2 3.76Å; R114-D146 PolarHBondContact NH2-OD2 3.28Å
115	A	91.1	Very high	88.3	Confident	56 Å²	56	43.7 Å²	43.7	46%	0.463	23%	0.232	S	C	.	.	H	α-helix	trans	-72.7	-43.8	-177	0	0	0	0	0	113.3	N111 F112 I113 F138 V142	N111-A115 VanDerWaalsContact O-CB 3.24Å; N111-A115 WeakPolarHBondContact O-CB 3.37Å; N111-A115 PolarHBondContact O-N 2.7Å; F112-A115 PolarHBondContact O-N 2.83Å; I113-A115 PolarHBondContact O-N 2.86Å; A115-F138 HydrophobicContact CB-CE1 4.31Å; A115-V142 HydrophobicContact CB-CG2 3.91Å
116	T	87.5	Confident	87.9	Confident	68 Å²	68	44.7 Å²	44.7	42%	0.417	24%	0.235	S	C	.	.	H	α-helix	trans	-89	-21.8	-174.4	63.8	0	0	0	0	113.6	F112 C118	F112-T116 HydrophobicContact CD2-CG2 3.93Å; F112-T116 HydrophobicContact CE1-CG2 4.44Å; F112-T116 HydrophobicContact CE2-CG2 3.71Å; F112-T116 HydrophobicContact CG-CG2 4.38Å; F112-T116 HydrophobicContact CZ-CG2 3.98Å; F112-T116 WeakPolarHBondContact O-CB 3.45Å; F112-T116 WeakPolarHBondContact O-CG2 3.44Å; F112-T116 PolarHBondContact O-N 3.01Å; F112-T116 PolarHBondContact O-OG1 2.96Å; T116-C118 PolarHBondContact O-N 2.96Å; T116-C118 PolarHBondContact OG1-N 2.98Å
117	K	86.9	Confident	86.8	Confident	169 Å²	169	49 Å²	49	74%	0.735	27%	0.266	S	S	*	.			trans	51.2	38.1	-169.2	-57.6	-167.8	175.8	-165.8	0	112.6	I113	I113-K117 WeakPolarHBondContact O-CA 3.48Å; I113-K117 PolarHBondContact O-N 2.86Å
118	C	85.2	Confident	85.4	Confident	19 Å²	19	55.8 Å²	55.8	13%	0.128	30%	0.297	C	S	.	.			trans	-61.7	148.2	177.6	63.8	0	0	0	0	112	F112 T116 Y122	F112-C118 HydrophobicContact CE1-CB 4.4Å; T116-C118 PolarHBondContact O-N 2.96Å; T116-C118 PolarHBondContact OG1-N 2.98Å; C118-Y122 HydrophobicContact CB-CD1 3.84Å; C118-Y122 HydrophobicContact CB-CE1 4.47Å
119	S	85.9	Confident	84.1	Confident	66 Å²	66	57 Å²	57	46%	0.462	31%	0.314	S	S	.	.			trans	-70.7	149.9	175.6	62.5	0	0	0	0	111.6	S121 Y122	S119-S121 PolarHBondContact O-N 2.81Å; S119-S121 PolarHBondContact OG-OG 2.79Å; S119-Y122 WeakPolarHBondContact O-CB 3.47Å; S119-Y122 PolarHBondContact O-N 2.83Å; S119-Y122 PolarHBondContact OG-N 2.78Å
120	A	84.3	Confident	82.9	Confident	9 Å²	9	64.4 Å²	64.4	7%	0.074	35%	0.354	C	S	.	.	H	α-helix	trans	-55.4	-35.1	173.5	0	0	0	0	0	112.8	F69 H88 L90 Y122 L123 M124	F69-A120 HydrophobicContact CD1-CB 4.18Å; F69-A120 HydrophobicContact CD2-CB 4.35Å; F69-A120 HydrophobicContact CE1-CB 4.09Å; F69-A120 HydrophobicContact CE2-CB 4.26Å; F69-A120 HydrophobicContact CG-CB 4.32Å; F69-A120 HydrophobicContact CZ-CB 4.14Å; H88-A120 HydrophobicContact CB-CB 4.08Å; H88-A120 WeakPolarHBondContact O-CB 3.26Å; L90-A120 HydrophobicContact CB-CB 3.94Å; L90-A120 HydrophobicContact CD1-CB 4.08Å; L90-A120 WeakPolarHBondContact CD1-O 3.19Å; A120-Y122 VanDerWaalsContact C-N 3.33Å; A120-Y122 PolarHBondContact O-N 3.07Å; A120-L123 PolarHBondContact O-N 3.28Å; A120-M124 HydrophobicContact CB-CE 4.4Å; A120-M124 PolarHBondContact O-N 3.34Å
121	S	81.6	Confident	82.4	Confident	59 Å²	59	66.3 Å²	66.3	41%	0.413	36%	0.363	S	S	.	.	H	α-helix	trans	-60.3	-37.8	175.4	63.9	0	0	0	0	113.5	S119 L123 M124 E125	S119-S121 PolarHBondContact O-N 2.81Å; S119-S121 PolarHBondContact OG-OG 2.79Å; S121-L123 VanDerWaalsContact C-N 3.3Å; S121-L123 PolarHBondContact O-N 3.22Å; S121-M124 PolarHBondContact O-N 3.35Å; S121-E125 WeakPolarHBondContact O-CG 3.38Å; S121-E125 PolarHBondContact O-N 2.92Å
122	Y	84.2	Confident	82	Confident	97 Å²	97	68.3 Å²	68.3	38%	0.38	38%	0.376	S	S	.	.	H	α-helix	trans	-63.1	-38	-179.6	170.7	-102.5	0	0	0	111.7	F112 C118 S119 A120 E125 L126 P132	F112-Y122 HydrophobicContact CE1-CE1 4.19Å; F112-Y122 HydrophobicContact CZ-CE1 4.08Å; C118-Y122 HydrophobicContact CB-CD1 3.84Å; C118-Y122 HydrophobicContact CB-CE1 4.47Å; S119-Y122 WeakPolarHBondContact O-CB 3.47Å; S119-Y122 PolarHBondContact O-N 2.83Å; S119-Y122 PolarHBondContact OG-N 2.78Å; A120-Y122 VanDerWaalsContact C-N 3.33Å; A120-Y122 PolarHBondContact O-N 3.07Å; Y122-E125 PolarHBondContact O-N 3.41Å; Y122-L126 HydrophobicContact CE1-CD2 4.42Å; Y122-P132 HydrophobicContact CE1-CG 4.37Å
123	L	82.2	Confident	81.7	Confident	2 Å²	2	67.7 Å²	67.7	1%	0.01	37%	0.374	C	S	.	.	H	α-helix	trans	-69	-35.4	177.9	-61.1	170.9	0	0	0	112.4	F69 L90 F112 I113 A120 S121 L126 W133	F69-L123 HydrophobicContact CE1-CD1 3.72Å; F69-L123 HydrophobicContact CZ-CD1 3.69Å; L90-L123 HydrophobicContact CD1-CB 3.74Å; L90-L123 HydrophobicContact CD1-CD1 3.72Å; L90-L123 HydrophobicContact CD1-CG 4.36Å; F112-L123 HydrophobicContact CE1-CD2 4.4Å; I113-L123 HydrophobicContact CD1-CD1 3.63Å; I113-L123 HydrophobicContact CG1-CD1 3.9Å; I113-L123 HydrophobicContact CG1-CD2 4.39Å; A120-L123 PolarHBondContact O-N 3.28Å; S121-L123 VanDerWaalsContact C-N 3.3Å; S121-L123 PolarHBondContact O-N 3.22Å; L123-L126 HydrophobicContact CD2-CD1 4.21Å; L123-L126 PolarHBondContact O-N 3.03Å; L123-W133 HydrophobicContact CD2-CH2 4.37Å; L123-W133 HydrophobicContact CD2-CZ3 3.68Å
124	M	76.9	Confident	81.4	Confident	87 Å²	87	72 Å²	72	43%	0.429	40%	0.397	S	S	.	.	H	α-helix	trans	-64.8	-41.1	176.3	-60.9	174.5	-162.4	0	0	111.6	Q89 L90 K98 A120 S121 L126	Q89-M124 VanDerWaalsContact C-CE 3.49Å; Q89-M124 HydrophobicContact CB-CE 4.17Å; Q89-M124 WeakPolarHBondContact O-CE 3.45Å; L90-M124 HydrophobicContact CB-CE 3.76Å; L90-M124 HydrophobicContact CD1-CE 4.37Å; L90-M124 HydrophobicContact CD1-CG 4.44Å; L90-M124 HydrophobicContact CG-CE 4.44Å; K98-M124 PolarHBondContact NZ-O 2.98Å; A120-M124 HydrophobicContact CB-CE 4.4Å; A120-M124 PolarHBondContact O-N 3.34Å; S121-M124 PolarHBondContact O-N 3.35Å; M124-L126 PolarHBondContact O-N 2.87Å
125	E	80.6	Confident	81.2	Confident	158 Å²	158	73.1 Å²	73.1	74%	0.738	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-10.4	-177.9	-71.3	175.2	-157.8	0	0	114.3	S121 Y122	S121-E125 WeakPolarHBondContact O-CG 3.38Å; S121-E125 PolarHBondContact O-N 2.92Å; Y122-E125 PolarHBondContact O-N 3.41Å
126	L	80.4	Confident	81	Confident	31 Å²	31	76.4 Å²	76.4	16%	0.162	42%	0.415	C	S	.	.			trans	-64.3	135.7	175.7	-64.4	175	0	0	0	111.8	K98 Y122 L123 M124 P132 W133	K98-L126 WeakPolarHBondContact CE-O 3.4Å; K98-L126 PolarHBondContact NZ-O 3.43Å; Y122-L126 HydrophobicContact CE1-CD2 4.42Å; L123-L126 HydrophobicContact CD2-CD1 4.21Å; L123-L126 PolarHBondContact O-N 3.03Å; M124-L126 PolarHBondContact O-N 2.87Å; L126-P132 HydrophobicContact CD1-CG 3.91Å; L126-P132 HydrophobicContact CD2-CG 4.14Å; L126-W133 HydrophobicContact CD1-CH2 3.67Å; L126-W133 HydrophobicContact CD1-CZ3 3.46Å; L126-W133 VanDerWaalsContact CD1-CZ3 3.46Å
127	S	70.3	Confident	81.1	Confident	94 Å²	94	77.9 Å²	77.9	66%	0.657	42%	0.42	S	S	*	.			trans	-94.1	176.1	173.6	56.3	0	0	0	0	112.1	G129	S127-G129 PolarHBondContact O-N 2.77Å
128	E	62.8	Low	81.2	Confident	185 Å²	185	71.8 Å²	71.8	86%	0.864	39%	0.394	S	S	*	.	S	Bend	trans	-72.4	49.1	178	-62.1	167.2	-168.9	0	0	112.7
129	G	64.8	Low	81.4	Confident	44 Å²	44	73.7 Å²	73.7	45%	0.454	40%	0.402	S	S	.	.	S	Bend	trans	-114.8	-161.2	178.7	0	0	0	0	0	112.9	S127 L131	S127-G129 PolarHBondContact O-N 2.77Å; G129-L131 PolarHBondContact O-N 2.82Å
130	L	70.4	Confident	81.6	Confident	160 Å²	160	76.8 Å²	76.8	84%	0.838	41%	0.408	S	S	*	.			trans	-56.7	118.7	170.8	-82.1	158.6	0	0	0	110.2
131	L	84.1	Confident	81.8	Confident	39 Å²	39	80.5 Å²	80.5	20%	0.204	43%	0.431	C	S	.	.			trans	-71.5	139	179.6	-56.6	179	0	0	0	109.8	H99 L101 G129 W133 D134	H99-L131 HydrophobicContact CB-CD1 4.43Å; H99-L131 HydrophobicContact CB-CD2 4.34Å; H99-L131 WeakPolarHBondContact ND1-CD2 3.41Å; L101-L131 HydrophobicContact CD2-CD1 3.76Å; G129-L131 PolarHBondContact O-N 2.82Å; L131-W133 HydrophobicContact CB-CD2 4.18Å; L131-W133 HydrophobicContact CB-CG 4.41Å; L131-W133 HydrophobicContact CB-CZ2 4.27Å; L131-W133 HydrophobicContact CD1-CZ2 4Å; L131-W133 HydrophobicContact CD2-CZ2 4.12Å; L131-W133 HydrophobicContact CG-CZ2 4.36Å; L131-W133 PolarHBondContact O-N 2.89Å; L131-W133 VanDerWaalsContact O-N 3.07Å; L131-D134 WeakPolarHBondContact O-CB 3.28Å; L131-D134 PolarHBondContact O-N 2.91Å; L131-D134 VanDerWaalsContact O-N 3.15Å
132	P	84.4	Confident	82.2	Confident	42 Å²	42	81.2 Å²	81.2	27%	0.273	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-7.5	-177	29.4	-34.2	0	0	0	113.4	F112 Y122 L126	F112-P132 WeakPolarHBondContact CD2-O 3.29Å; F112-P132 HydrophobicContact CE1-CG 4.17Å; F112-P132 HydrophobicContact CE2-CB 3.73Å; F112-P132 HydrophobicContact CE2-CG 4.18Å; F112-P132 WeakPolarHBondContact CE2-O 3.49Å; F112-P132 HydrophobicContact CZ-CB 3.71Å; F112-P132 HydrophobicContact CZ-CG 3.79Å; Y122-P132 HydrophobicContact CE1-CG 4.37Å; L126-P132 HydrophobicContact CD1-CG 3.91Å; L126-P132 HydrophobicContact CD2-CG 4.14Å
133	W	87.8	Confident	82.3	Confident	2 Å²	2	79.7 Å²	79.7	1%	0.008	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	10.4	175.1	56	84.3	0	0	0	114.8	L101 K108 M109 F112 L123 L126 L131 S135 F138	L101-W133 HydrophobicContact CD1-CZ2 4.4Å; L101-W133 HydrophobicContact CD2-CZ2 4.42Å; K108-W133 HydrophobicContact CB-CB 4.3Å; K108-W133 HydrophobicContact CB-CG 4.43Å; K108-W133 WeakPolarHBondContact CB-O 3.49Å; K108-W133 WeakPolarHBondContact CD-O 3.39Å; M109-W133 HydrophobicContact CB-CD2 4.04Å; M109-W133 HydrophobicContact CB-CG 4.26Å; M109-W133 HydrophobicContact CB-CZ2 4.24Å; M109-W133 HydrophobicContact CG-CD2 4.27Å; M109-W133 HydrophobicContact CG-CE3 4.4Å; M109-W133 HydrophobicContact CG-CH2 4.23Å; M109-W133 HydrophobicContact CG-CZ2 4.05Å; M109-W133 HydrophobicContact CG-CZ3 4.4Å; M109-W133 HydrophobicContact SD-CH2 4.46Å; M109-W133 HydrophobicContact SD-CZ2 4.27Å; F112-W133 HydrophobicContact CB-CB 3.47Å; F112-W133 VanDerWaalsContact CB-CB 3.47Å; F112-W133 HydrophobicContact CB-CG 4.43Å; F112-W133 AromaticContact CD1-CE3 3.85Å; F112-W133 HydrophobicContact CD1-CE3 3.85Å; F112-W133 HydrophobicContact CD2-CB 3.94Å; F112-W133 HydrophobicContact CE1-CE3 4.21Å; F112-W133 HydrophobicContact CG-CB 3.75Å; F112-W133 HydrophobicContact CG-CE3 4.19Å; L123-W133 HydrophobicContact CD2-CH2 4.37Å; L123-W133 HydrophobicContact CD2-CZ3 3.68Å; L126-W133 HydrophobicContact CD1-CH2 3.67Å; L126-W133 HydrophobicContact CD1-CZ3 3.46Å; L126-W133 VanDerWaalsContact CD1-CZ3 3.46Å; L131-W133 HydrophobicContact CB-CD2 4.18Å; L131-W133 HydrophobicContact CB-CG 4.41Å; L131-W133 HydrophobicContact CB-CZ2 4.27Å; L131-W133 HydrophobicContact CD1-CZ2 4Å; L131-W133 HydrophobicContact CD2-CZ2 4.12Å; L131-W133 HydrophobicContact CG-CZ2 4.36Å; L131-W133 PolarHBondContact O-N 2.89Å; L131-W133 VanDerWaalsContact O-N 3.07Å; W133-S135 PolarHBondContact O-N 2.76Å; W133-S135 VanDerWaalsContact O-N 3.1Å; W133-F138 HydrophobicContact CB-CD2 4.21Å; W133-F138 WeakPolarHBondContact O-CD2 3.39Å
134	D	85.6	Confident	82.2	Confident	94 Å²	94	87.1 Å²	87.1	50%	0.503	47%	0.466	S	S	.	.			trans	-61.3	-21.5	-176.2	-164.8	35.4	0	0	0	113.9	K108 L131	K108-D134 PolarHBondContact NZ-O 3.06Å; L131-D134 WeakPolarHBondContact O-CB 3.28Å; L131-D134 PolarHBondContact O-N 2.91Å; L131-D134 VanDerWaalsContact O-N 3.15Å
135	S	87.5	Confident	82.6	Confident	55 Å²	55	88.2 Å²	88.2	39%	0.385	47%	0.473	S	S	.	.	S	Bend	trans	-62.6	137.7	179.2	-171.7	0	0	0	0	113.9	W133 D137 F138	W133-S135 PolarHBondContact O-N 2.76Å; W133-S135 VanDerWaalsContact O-N 3.1Å; S135-D137 PolarHBondContact O-N 3.22Å; S135-D137 VanDerWaalsContact O-N 3.1Å; S135-D137 PolarHBondContact OG-N 3.16Å; S135-D137 PolarHBondContact OG-OD2 3.14Å; S135-F138 PolarHBondContact O-N 3.09Å; S135-F138 VanDerWaalsContact O-N 3.11Å
136	E	88.7	Confident	83	Confident	125 Å²	125	80.9 Å²	80.9	58%	0.584	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-56.3	-21	170.4	-61.8	-60.2	100.4	0	0	113.7	K108 F138 L139	K108-E136 WeakPolarHBondContact CE-OE1 3.11Å; K108-E136 IonicContact NZ-OE1 2.87Å; K108-E136 PolarHBondContact NZ-OE1 2.94Å; E136-F138 PolarHBondContact O-N 3.28Å; E136-L139 WeakPolarHBondContact O-CB 3.18Å; E136-L139 PolarHBondContact O-N 3.31Å; E136-L139 VanDerWaalsContact O-N 3.11Å; E136-L139 WeakPolarHBondContact OE2-CD1 3.19Å
137	D	87.8	Confident	83.4	Confident	98 Å²	98	79.8 Å²	79.8	52%	0.524	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-61.1	-26.4	175.4	-75.3	-52.5	0	0	0	113.4	S135 L139 K140	S135-D137 PolarHBondContact O-N 3.22Å; S135-D137 VanDerWaalsContact O-N 3.1Å; S135-D137 PolarHBondContact OG-N 3.16Å; S135-D137 PolarHBondContact OG-OD2 3.14Å; D137-L139 VanDerWaalsContact C-N 3.27Å; D137-L139 PolarHBondContact O-N 2.76Å; D137-K140 PolarHBondContact O-N 2.78Å; D137-K140 IonicContact OD1-NZ 3.89Å; D137-K140 PolarHBondContact OD1-NZ 3.43Å
138	F	90.4	Very high	84.2	Confident	41 Å²	41	75.3 Å²	75.3	18%	0.18	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-82.8	2.5	177.9	-57.9	-67.1	0	0	0	114	K108 N111 F112 A115 W133 S135 E136	K108-F138 HydrophobicContact CB-CB 4.07Å; K108-F138 HydrophobicContact CG-CB 4.07Å; N111-F138 HydrophobicContact CB-CB 4.29Å; N111-F138 VanDerWaalsContact CB-O 3.24Å; N111-F138 WeakPolarHBondContact CB-O 3.49Å; N111-F138 PolarHBondContact ND2-O 2.9Å; F112-F138 HydrophobicContact CB-CD1 4.02Å; F112-F138 HydrophobicContact CB-CE1 4.16Å; F112-F138 HydrophobicContact CB-CG 4.28Å; F112-F138 HydrophobicContact CD2-CE1 4Å; F112-F138 AromaticContact CD2-CE2 3.98Å; F112-F138 HydrophobicContact CD2-CE2 3.98Å; F112-F138 AromaticContact CD2-CZ 3.66Å; F112-F138 HydrophobicContact CD2-CZ 3.66Å; F112-F138 HydrophobicContact CE2-CZ 4.44Å; A115-F138 HydrophobicContact CB-CE1 4.31Å; W133-F138 HydrophobicContact CB-CD2 4.21Å; W133-F138 WeakPolarHBondContact O-CD2 3.39Å; S135-F138 PolarHBondContact O-N 3.09Å; S135-F138 VanDerWaalsContact O-N 3.11Å; E136-F138 PolarHBondContact O-N 3.28Å
139	L	89.4	Confident	85.6	Confident	59 Å²	59	68.2 Å²	68.2	31%	0.309	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-77.8	-6.6	165.8	-65.6	176	0	0	0	112.9	Y104 I107 K108 E136 D137	Y104-L139 HydrophobicContact CD1-CD2 4.01Å; I107-L139 HydrophobicContact CG2-CD2 4.33Å; K108-L139 HydrophobicContact CD-CD2 4.39Å; K108-L139 HydrophobicContact CG-CD2 3.86Å; K108-L139 HydrophobicContact CG-CG 4.23Å; E136-L139 WeakPolarHBondContact O-CB 3.18Å; E136-L139 PolarHBondContact O-N 3.31Å; E136-L139 VanDerWaalsContact O-N 3.11Å; E136-L139 WeakPolarHBondContact OE2-CD1 3.19Å; D137-L139 VanDerWaalsContact C-N 3.27Å; D137-L139 PolarHBondContact O-N 2.76Å
140	K	88.6	Confident	86.6	Confident	132 Å²	132	71.7 Å²	71.7	57%	0.574	38%	0.375	S	S	*	.	S	Bend	trans	-91.1	121.1	175.8	-64.4	162	-167.9	153.5	0	109.5	N111 D137 V142	N111-K140 PolarHBondContact ND2-O 3.49Å; D137-K140 PolarHBondContact O-N 2.78Å; D137-K140 IonicContact OD1-NZ 3.89Å; D137-K140 PolarHBondContact OD1-NZ 3.43Å; K140-V142 PolarHBondContact O-N 3.03Å
141	P	88.6	Confident	87.3	Confident	86 Å²	86	65.5 Å²	65.5	56%	0.558	34%	0.343	S	S	*	.			trans	-55.1	126.9	176.6	-27.8	36	0	0	0	112.7	N111 L143 L149	N111-P141 WeakPolarHBondContact OD1-CA 3.37Å; P141-L143 WeakPolarHBondContact CB-O 3.24Å; P141-L149 HydrophobicContact CB-CD1 3.83Å; P141-L149 HydrophobicContact CG-CD1 4.14Å
142	V	90	Very high	87.2	Confident	75 Å²	75	67 Å²	67	46%	0.455	35%	0.351	S	S	.	.	S	Bend	trans	-80.9	-31.4	176	179.9	0	0	0	0	111.5	N111 R114 A115 K140	N111-V142 HydrophobicContact CB-CG2 3.99Å; N111-V142 WeakPolarHBondContact O-CG2 3.47Å; N111-V142 PolarHBondContact OD1-N 3.48Å; R114-V142 HydrophobicContact CB-CB 3.7Å; R114-V142 HydrophobicContact CB-CG1 3.75Å; R114-V142 HydrophobicContact CB-CG2 4.12Å; A115-V142 HydrophobicContact CB-CG2 3.91Å; K140-V142 PolarHBondContact O-N 3.03Å
143	L	87.1	Confident	87	Confident	65 Å²	65	65.3 Å²	65.3	34%	0.34	34%	0.341	S	S	.	.	S	Bend	trans	-113.7	128.8	168.5	175.1	63	0	0	0	106.9	I66 P141 D146	I66-L143 HydrophobicContact CD1-CD2 4.08Å; P141-L143 WeakPolarHBondContact CB-O 3.24Å; L143-D146 HydrophobicContact CB-CB 4.03Å; L143-D146 HydrophobicContact CD2-CB 4.03Å; L143-D146 HydrophobicContact CG-CB 4.08Å
144	Q	80.8	Confident	86.3	Confident	158 Å²	158	72 Å²	72	74%	0.738	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	137	174.1	-161.2	-169.9	-52.8	0	0	108.8	D146	Q144-D146 PolarHBondContact O-N 3.12Å
145	D	84.1	Confident	85.9	Confident	110 Å²	110	74 Å²	74	59%	0.588	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	31.3	177.3	-47.2	-44.9	0	0	0	114.1	P147	D145-P147 VanDerWaalsContact O-CD 3.24Å; D145-P147 WeakPolarHBondContact O-CD 3.3Å
146	D	88.7	Confident	85.3	Confident	3 Å²	3	72.6 Å²	72.6	2%	0.016	37%	0.367	C	S	.	.			trans	-63.3	116	176.1	-166.1	-23.2	0	0	0	111	R114 L143 Q144 L148 L149	R114-D146 IonicContact CZ-OD2 2.71Å; R114-D146 IonicContact NE-OD2 3.88Å; R114-D146 PolarHBondContact NE-OD2 3.04Å; R114-D146 VanDerWaalsContact NH2-CG 3.32Å; R114-D146 IonicContact NH2-OD1 3.74Å; R114-D146 PolarHBondContact NH2-OD1 2.9Å; R114-D146 IonicContact NH2-OD2 3.76Å; R114-D146 PolarHBondContact NH2-OD2 3.28Å; L143-D146 HydrophobicContact CB-CB 4.03Å; L143-D146 HydrophobicContact CD2-CB 4.03Å; L143-D146 HydrophobicContact CG-CB 4.08Å; Q144-D146 PolarHBondContact O-N 3.12Å; D146-L148 PolarHBondContact O-N 3.36Å; D146-L148 VanDerWaalsContact O-N 3.12Å; D146-L148 PolarHBondContact OD1-N 2.89Å; D146-L149 HydrophobicContact CB-CD1 4.11Å; D146-L149 HydrophobicContact CB-CG 4.12Å; D146-L149 WeakPolarHBondContact O-CB 3Å; D146-L149 PolarHBondContact O-N 3.01Å
147	P	88.9	Confident	84.4	Confident	9 Å²	9	68.3 Å²	68.3	6%	0.058	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-63.6	-22.5	-175.8	-27.2	39.6	0	0	0	113.8	Q63 V65 V77 D145 L149 Q150 T151	Q63-P147 VanDerWaalsContact CD-CG 3.49Å; Q63-P147 HydrophobicContact CG-CB 4.42Å; Q63-P147 HydrophobicContact CG-CG 3.79Å; V65-P147 HydrophobicContact CG2-CB 3.88Å; V65-P147 HydrophobicContact CG2-CG 3.98Å; V77-P147 HydrophobicContact CG2-CB 3.93Å; D145-P147 VanDerWaalsContact O-CD 3.24Å; D145-P147 WeakPolarHBondContact O-CD 3.3Å; P147-L149 PolarHBondContact O-N 3.01Å; P147-Q150 PolarHBondContact O-N 3.3Å; P147-Q150 VanDerWaalsContact O-N 3.11Å; P147-T151 PolarHBondContact O-N 3.46Å; P147-T151 PolarHBondContact O-OG1 3.49Å
148	L	88.8	Confident	82.9	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-67.3	-21.3	172.7	-63.2	177.7	0	0	0	112.9	V65 L68 V77 T80 L81 Y106 I110 D146	V65-L148 HydrophobicContact CG1-CD1 4.37Å; V65-L148 HydrophobicContact CG1-CD2 4.2Å; V65-L148 HydrophobicContact CG1-CG 3.9Å; L68-L148 HydrophobicContact CD1-CD1 4.3Å; L68-L148 HydrophobicContact CD2-CD1 3.65Å; L68-L148 HydrophobicContact CG-CD1 3.74Å; V77-L148 HydrophobicContact CB-CD2 4.36Å; V77-L148 HydrophobicContact CG1-CD2 3.78Å; V77-L148 HydrophobicContact CG2-CD2 4.12Å; T80-L148 HydrophobicContact CG2-CD1 4.43Å; L81-L148 HydrophobicContact CD2-CD2 4.45Å; Y106-L148 WeakPolarHBondContact CE1-O 3.37Å; Y106-L148 PolarHBondContact OH-O 2.86Å; I110-L148 HydrophobicContact CD1-CB 4.44Å; I110-L148 HydrophobicContact CG2-CB 4.17Å; D146-L148 PolarHBondContact O-N 3.36Å; D146-L148 VanDerWaalsContact O-N 3.12Å; D146-L148 PolarHBondContact OD1-N 2.89Å
149	L	90.9	Very high	81	Confident	35 Å²	35	70.5 Å²	70.5	18%	0.183	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-88.4	-6.8	173.6	-60.3	179	0	0	0	112.8	I107 I110 P141 D146 P147	I107-L149 HydrophobicContact CB-CD2 4.32Å; I107-L149 HydrophobicContact CG1-CD2 4.22Å; I107-L149 HydrophobicContact CG2-CD2 4.19Å; I110-L149 HydrophobicContact CB-CD2 3.74Å; I110-L149 HydrophobicContact CG1-CD2 4.49Å; I110-L149 HydrophobicContact CG2-CD2 3.55Å; I110-L149 HydrophobicContact CG2-CG 4.18Å; P141-L149 HydrophobicContact CB-CD1 3.83Å; P141-L149 HydrophobicContact CG-CD1 4.14Å; D146-L149 HydrophobicContact CB-CD1 4.11Å; D146-L149 HydrophobicContact CB-CG 4.12Å; D146-L149 WeakPolarHBondContact O-CB 3Å; D146-L149 PolarHBondContact O-N 3.01Å; P147-L149 PolarHBondContact O-N 3.01Å
150	Q	87.1	Confident	78.6	Confident	118 Å²	118	74.2 Å²	74.2	55%	0.551	40%	0.4	S	S	*	.	S	Bend	trans	-100.9	0.3	177.5	-61.6	175	-12.2	0	0	112.1	Q63 P147	Q63-Q150 VanDerWaalsContact NE2-OE1 3.07Å; P147-Q150 PolarHBondContact O-N 3.3Å; P147-Q150 VanDerWaalsContact O-N 3.11Å
151	T	83.9	Confident	76.1	Confident	29 Å²	29	74.9 Å²	74.9	18%	0.178	41%	0.409	C	S	.	.	S	Bend	trans	-97.8	133.1	-176.7	-51.3	0	0	0	0	111.2	V77 Y106 P147 L156	V77-T151 HydrophobicContact CG1-CG2 4.15Å; Y106-T151 WeakPolarHBondContact CE1-O 3.47Å; P147-T151 PolarHBondContact O-N 3.46Å; P147-T151 PolarHBondContact O-OG1 3.49Å; T151-L156 HydrophobicContact CG2-CD1 3.81Å; T151-L156 HydrophobicContact CG2-CD2 3.83Å; T151-L156 HydrophobicContact CG2-CG 3.72Å
152	D	81.8	Confident	73.6	Confident	70 Å²	70	77.3 Å²	77.3	37%	0.374	42%	0.423	S	S	.	.			trans	-74.4	125.8	175.3	-175.6	-41.7	0	0	0	111.2	E154 E155 L156	D152-E154 WeakPolarHBondContact OD1-CA 3.36Å; D152-E154 VanDerWaalsContact OD1-CB 3.3Å; D152-E154 WeakPolarHBondContact OD1-CB 3.34Å; D152-E154 PolarHBondContact OD1-N 2.62Å; D152-E155 HydrophobicContact CB-CB 4.22Å; D152-E155 HydrophobicContact CB-CG 3.93Å; D152-E155 PolarHBondContact O-N 2.89Å; D152-E155 PolarHBondContact OD1-N 2.8Å; D152-L156 PolarHBondContact O-N 2.76Å
153	P	80	Confident	70.9	Confident	8 Å²	8	79.5 Å²	79.5	5%	0.052	44%	0.442	C	S	.	.	H	α-helix	trans	-72.1	-22.6	179.7	30.1	-34.8	0	0	0	114.3	I96 D103 Y106 C157	I96-P153 HydrophobicContact CD1-CB 4.11Å; I96-P153 HydrophobicContact CG2-CB 4.48Å; D103-P153 WeakPolarHBondContact OD1-CG 3.32Å; Y106-P153 HydrophobicContact CD1-CB 4.35Å; Y106-P153 HydrophobicContact CD1-CG 4.48Å; Y106-P153 HydrophobicContact CD2-CB 4.45Å; Y106-P153 HydrophobicContact CG-CB 4.11Å; Y106-P153 HydrophobicContact CG-CG 4.48Å; P153-C157 WeakPolarHBondContact O-CB 3.33Å; P153-C157 PolarHBondContact O-N 3.41Å; P153-C157 VanDerWaalsContact O-N 3.12Å; P153-C157 PolarHBondContact O-SG 2.74Å
154	E	72.9	Confident	68.2	Low	141 Å²	141	82.3 Å²	82.3	66%	0.659	47%	0.466	S	S	*	.	H	α-helix	trans	-68.6	-42.2	171.3	-64.4	-156.6	168.5	0	0	110.8	D152 L156 C157 G158	D152-E154 WeakPolarHBondContact OD1-CA 3.36Å; D152-E154 VanDerWaalsContact OD1-CB 3.3Å; D152-E154 WeakPolarHBondContact OD1-CB 3.34Å; D152-E154 PolarHBondContact OD1-N 2.62Å; E154-L156 PolarHBondContact O-N 3.07Å; E154-C157 PolarHBondContact O-N 3.05Å; E154-C157 VanDerWaalsContact O-N 3.11Å; E154-G158 PolarHBondContact O-N 2.98Å
155	E	77.6	Confident	66	Low	138 Å²	138	80.6 Å²	80.6	65%	0.645	47%	0.472	S	S	*	.	H	α-helix	trans	-59.4	-46	175.2	-71.1	-166	151.3	0	0	111.6	D152 C157 G158	D152-E155 HydrophobicContact CB-CB 4.22Å; D152-E155 HydrophobicContact CB-CG 3.93Å; D152-E155 PolarHBondContact O-N 2.89Å; D152-E155 PolarHBondContact OD1-N 2.8Å; E155-C157 PolarHBondContact O-N 2.75Å; E155-G158 PolarHBondContact O-N 3.07Å
156	L	75.4	Confident	63.5	Low	25 Å²	25	80.7 Å²	80.7	13%	0.131	48%	0.481	C	S	.	.	H	α-helix	trans	-60.2	-34.9	174.9	-66.9	-177.7	0	0	0	112.5	L81 V93 Y106 T151 D152 E154 T159	L81-L156 HydrophobicContact CD1-CD1 3.88Å; L81-L156 HydrophobicContact CD1-CD2 3.45Å; L81-L156 VanDerWaalsContact CD1-CD2 3.45Å; L81-L156 HydrophobicContact CD1-CG 4.28Å; V93-L156 HydrophobicContact CG2-CB 4.38Å; Y106-L156 HydrophobicContact CE2-CD1 4.41Å; T151-L156 HydrophobicContact CG2-CD1 3.81Å; T151-L156 HydrophobicContact CG2-CD2 3.83Å; T151-L156 HydrophobicContact CG2-CG 3.72Å; D152-L156 PolarHBondContact O-N 2.76Å; E154-L156 PolarHBondContact O-N 3.07Å; L156-T159 PolarHBondContact O-OG1 2.84Å
157	C	70.6	Confident	61.3	Low	35 Å²	35	93.3 Å²	93.3	24%	0.236	53%	0.529	C	S	.	.	H	α-helix	trans	-76.8	-21.7	179.4	-75.7	0	0	0	0	114.3	R97 P153 E154 E155	R97-C157 PolarHBondContact NH2-O 3.41Å; P153-C157 WeakPolarHBondContact O-CB 3.33Å; P153-C157 PolarHBondContact O-N 3.41Å; P153-C157 VanDerWaalsContact O-N 3.12Å; P153-C157 PolarHBondContact O-SG 2.74Å; E154-C157 PolarHBondContact O-N 3.05Å; E154-C157 VanDerWaalsContact O-N 3.11Å; E155-C157 PolarHBondContact O-N 2.75Å
158	G	56.3	Low	59.1	Low	67 Å²	67	96.3 Å²	96.3	69%	0.691	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-4.5	-170	0	0	0	0	0	117.2	E154 E155	E154-G158 PolarHBondContact O-N 2.98Å; E155-G158 PolarHBondContact O-N 3.07Å
159	T	48.8	Very low	57.2	Low	117 Å²	117	101.7 Å²	101.7	72%	0.718	59%	0.59	S	S	*	*	S	Bend	trans	-94.7	-7.8	-166	49.7	0	0	0	0	116.5	L156	L156-T159 PolarHBondContact O-OG1 2.84Å
160	E	40.3	Very low	55.3	Low	138 Å²	138	104.4 Å²	104.4	65%	0.645	61%	0.612	S	S	*	*			trans	-124.4	95	-179.4	-70.8	-165.8	141.4	0	0	113.2
161	D	34.9	Very low	53.6	Low	146 Å²	146	105.5 Å²	105.5	78%	0.781	62%	0.616	S	S	*	*			trans	-153.3	62.3	155.2	-149.1	-8.2	0	0	0	113.9
162	T	35.7	Very low	52.4	Low	136 Å²	136	105.4 Å²	105.4	83%	0.834	62%	0.622	S	S	*	*			trans	-136.9	80.8	168.8	57.5	0	0	0	0	112.8
163	S	33.5	Very low	51.2	Low	122 Å²	122	106.7 Å²	106.7	85%	0.853	63%	0.626	S	S	*	*			trans	174.6	66.9	137.7	47.6	0	0	0	0	116.2
164	S	31.6	Very low	50.1	Low	123 Å²	123	112.4 Å²	112.4	86%	0.86	65%	0.653	S	S	*	*			trans	-145.7	154	148.9	82.4	0	0	0	0	113.6
165	S	33.7	Very low	49.9	Very low	122 Å²	122	110.2 Å²	110.2	85%	0.853	65%	0.645	S	S	*	*			trans	-89.5	123.8	-160.2	55.9	0	0	0	0	115
166	S	32.2	Very low	49.3	Very low	113 Å²	113	112.3 Å²	112.3	79%	0.79	65%	0.647	S	S	*	*			trans	-150.1	137.4	131.7	72.5	0	0	0	0	111.7	G168	S166-G168 PolarHBondContact O-N 2.84Å
167	R	42.7	Very low	49.1	Very low	268 Å²	268	119 Å²	119	100%	1.011	67%	0.671	S	S	*	*			trans	-90.8	95.2	171.2	-76.9	177.9	169.2	170.6	-4.7	107.7
168	G	43.3	Very low	49.1	Very low	71 Å²	71	119.8 Å²	119.8	73%	0.732	68%	0.68	S	S	*	*	S	Bend	trans	-134.8	-64.1	-170.1	0	0	0	0	0	115.2	S166	S166-G168 PolarHBondContact O-N 2.84Å
169	D	48	Very low	49.9	Very low	113 Å²	113	121 Å²	121	60%	0.604	67%	0.671	S	S	*	*			trans	-145.9	30.2	-164.8	-159.7	7.2	0	0	0	115	H171 G172 E173	D169-H171 PolarHBondContact O-N 2.57Å; D169-G172 PolarHBondContact O-N 3.03Å; D169-G172 VanDerWaalsContact O-N 3.17Å; D169-G172 WeakPolarHBondContact OD1-CA 3.17Å; D169-G172 PolarHBondContact OD1-N 2.96Å; D169-E173 PolarHBondContact O-N 3.07Å; D169-E173 VanDerWaalsContact O-N 3.09Å
170	S	51.2	Low	51.1	Low	93 Å²	93	118.8 Å²	118.8	65%	0.65	66%	0.657	S	S	*	*	H	α-helix	trans	-60.3	-26	-172.8	67.3	0	0	0	0	114	M174	S170-M174 WeakPolarHBondContact O-CB 3.41Å; S170-M174 WeakPolarHBondContact O-CG 3.45Å; S170-M174 PolarHBondContact O-N 2.97Å
171	H	51.6	Low	52.6	Low	140 Å²	140	114.6 Å²	114.6	65%	0.648	65%	0.646	S	S	*	*	H	α-helix	trans	-83.3	-34.3	178.9	-160.5	-43	0	0	0	112.9	D169 L175	D169-H171 PolarHBondContact O-N 2.57Å; H171-L175 VanDerWaalsContact O-CB 3.23Å; H171-L175 WeakPolarHBondContact O-CB 3.43Å; H171-L175 PolarHBondContact O-N 3.46Å
172	G	59.1	Low	54.7	Low	28 Å²	28	113.5 Å²	113.5	29%	0.289	64%	0.636	S	S	.	*	H	α-helix	trans	-68.3	-39.6	173.8	0	0	0	0	0	111.2	D169 L175 R176	D169-G172 PolarHBondContact O-N 3.03Å; D169-G172 VanDerWaalsContact O-N 3.17Å; D169-G172 WeakPolarHBondContact OD1-CA 3.17Å; D169-G172 PolarHBondContact OD1-N 2.96Å; G172-L175 PolarHBondContact O-N 3.09Å; G172-R176 PolarHBondContact O-N 2.9Å
173	E	55.2	Low	56.7	Low	97 Å²	97	111.9 Å²	111.9	45%	0.453	62%	0.619	S	S	.	*	H	α-helix	trans	-75.1	-40.5	179.4	-161.8	172.2	175.7	0	0	113	D169 L175 R176 R177	D169-E173 PolarHBondContact O-N 3.07Å; D169-E173 VanDerWaalsContact O-N 3.09Å; E173-L175 VanDerWaalsContact C-N 3.31Å; E173-L175 PolarHBondContact O-N 3.25Å; E173-R176 PolarHBondContact O-N 3.07Å; E173-R177 WeakPolarHBondContact O-CG 3.3Å; E173-R177 PolarHBondContact O-N 2.76Å; E173-R177 IonicContact OE1-CZ 3.89Å; E173-R177 IonicContact OE1-NE 3.77Å; E173-R177 IonicContact OE1-NH2 3.84Å; E173-R177 PolarHBondContact OE1-NH2 3.4Å
174	M	57.9	Low	58.8	Low	128 Å²	128	114.5 Å²	114.5	63%	0.631	61%	0.61	S	S	*	*	H	α-helix	trans	-57.1	-44.4	168.2	-82.7	170.6	54.7	0	0	111.6	S170 R176 R177 A178	S170-M174 WeakPolarHBondContact O-CB 3.41Å; S170-M174 WeakPolarHBondContact O-CG 3.45Å; S170-M174 PolarHBondContact O-N 2.97Å; M174-R176 PolarHBondContact O-N 2.94Å; M174-R177 PolarHBondContact O-N 3.43Å; M174-A178 WeakPolarHBondContact O-CB 3.42Å; M174-A178 PolarHBondContact O-N 2.99Å
175	L	68.1	Low	61	Low	95 Å²	95	112.1 Å²	112.1	50%	0.497	59%	0.59	S	S	.	*	H	α-helix	trans	-65.5	-39	-179.9	-174.8	63.7	0	0	0	111.8	H171 G172 E173 A178 L179	H171-L175 VanDerWaalsContact O-CB 3.23Å; H171-L175 WeakPolarHBondContact O-CB 3.43Å; H171-L175 PolarHBondContact O-N 3.46Å; G172-L175 PolarHBondContact O-N 3.09Å; E173-L175 VanDerWaalsContact C-N 3.31Å; E173-L175 PolarHBondContact O-N 3.25Å; L175-A178 PolarHBondContact O-N 3.33Å; L175-L179 HydrophobicContact CD1-CD1 4.46Å; L175-L179 HydrophobicContact CG-CD1 4.09Å; L175-L179 WeakPolarHBondContact O-CB 3.21Å; L175-L179 VanDerWaalsContact O-CG 3.27Å; L175-L179 WeakPolarHBondContact O-CG 3.49Å; L175-L179 PolarHBondContact O-N 2.9Å
176	R	66.3	Low	63.4	Low	181 Å²	181	111.3 Å²	111.3	68%	0.683	57%	0.573	S	S	*	*	H	α-helix	trans	-62	-45.7	171.7	-82.5	177.2	56.6	100.1	2.3	112.4	G172 E173 M174 L179 T180	G172-R176 PolarHBondContact O-N 2.9Å; E173-R176 PolarHBondContact O-N 3.07Å; M174-R176 PolarHBondContact O-N 2.94Å; R176-L179 PolarHBondContact O-N 3.14Å; R176-T180 WeakPolarHBondContact O-CB 3.38Å; R176-T180 PolarHBondContact O-N 3.03Å; R176-T180 PolarHBondContact O-OG1 3.26Å
177	R	69.9	Low	65.7	Low	165 Å²	165	113.5 Å²	113.5	62%	0.623	56%	0.564	S	S	*	*	H	α-helix	trans	-63.9	-41.5	177.9	-68.8	-178.3	-166.6	-161.7	4.6	111.3	E173 M174 T180 A181	E173-R177 WeakPolarHBondContact O-CG 3.3Å; E173-R177 PolarHBondContact O-N 2.76Å; E173-R177 IonicContact OE1-CZ 3.89Å; E173-R177 IonicContact OE1-NE 3.77Å; E173-R177 IonicContact OE1-NH2 3.84Å; E173-R177 PolarHBondContact OE1-NH2 3.4Å; M174-R177 PolarHBondContact O-N 3.43Å; R177-T180 PolarHBondContact O-N 3.07Å; R177-A181 WeakPolarHBondContact O-CB 3.17Å; R177-A181 PolarHBondContact O-N 2.93Å
178	A	70.3	Confident	67	Low	53 Å²	53	103.6 Å²	103.6	44%	0.438	54%	0.536	S	S	.	.	H	α-helix	trans	-59.6	-53	173.4	0	0	0	0	0	111.7	M174 L175 T180 A181 E182	M174-A178 WeakPolarHBondContact O-CB 3.42Å; M174-A178 PolarHBondContact O-N 2.99Å; L175-A178 PolarHBondContact O-N 3.33Å; A178-T180 VanDerWaalsContact C-N 3.3Å; A178-T180 PolarHBondContact O-N 2.9Å; A178-A181 PolarHBondContact O-N 2.76Å; A178-A181 VanDerWaalsContact O-N 3.13Å; A178-E182 VanDerWaalsContact O-CB 3.31Å; A178-E182 WeakPolarHBondContact O-CB 3.45Å; A178-E182 PolarHBondContact O-N 2.92Å
179	L	74.5	Confident	68.9	Low	93 Å²	93	105.3 Å²	105.3	49%	0.487	53%	0.525	S	S	.	.	H	α-helix	trans	-60.3	-36.2	178.6	-72.2	166	0	0	0	113.1	L175 R176 E183	L175-L179 HydrophobicContact CD1-CD1 4.46Å; L175-L179 HydrophobicContact CG-CD1 4.09Å; L175-L179 WeakPolarHBondContact O-CB 3.21Å; L175-L179 VanDerWaalsContact O-CG 3.27Å; L175-L179 WeakPolarHBondContact O-CG 3.49Å; L175-L179 PolarHBondContact O-N 2.9Å; R176-L179 PolarHBondContact O-N 3.14Å; L179-E183 WeakPolarHBondContact O-CB 3.45Å; L179-E183 PolarHBondContact O-N 2.86Å
180	T	73.6	Confident	70.7	Confident	70 Å²	70	104.5 Å²	104.5	43%	0.429	52%	0.517	S	S	.	.	H	α-helix	trans	-74.3	-32.6	178	-45.7	0	0	0	0	111.5	R176 R177 A178 R184	R176-T180 WeakPolarHBondContact O-CB 3.38Å; R176-T180 PolarHBondContact O-N 3.03Å; R176-T180 PolarHBondContact O-OG1 3.26Å; R177-T180 PolarHBondContact O-N 3.07Å; A178-T180 VanDerWaalsContact C-N 3.3Å; A178-T180 PolarHBondContact O-N 2.9Å; T180-R184 VanDerWaalsContact O-CG 3.31Å; T180-R184 WeakPolarHBondContact O-CG 3.25Å; T180-R184 PolarHBondContact O-N 2.65Å; T180-R184 VanDerWaalsContact O-N 3.08Å
181	A	71.8	Confident	72.2	Confident	50 Å²	50	102.1 Å²	102.1	41%	0.413	50%	0.504	S	S	.	.	H	α-helix	trans	-71.1	-41.5	171.9	0	0	0	0	0	111.4	R177 A178 R184 V185	R177-A181 WeakPolarHBondContact O-CB 3.17Å; R177-A181 PolarHBondContact O-N 2.93Å; A178-A181 PolarHBondContact O-N 2.76Å; A178-A181 VanDerWaalsContact O-N 3.13Å; A181-R184 WeakPolarHBondContact O-CB 3.26Å; A181-R184 PolarHBondContact O-N 2.99Å; A181-V185 WeakPolarHBondContact O-CB 3.35Å; A181-V185 WeakPolarHBondContact O-CG2 3.42Å; A181-V185 PolarHBondContact O-N 3.27Å
182	E	78.1	Confident	73.4	Confident	123 Å²	123	99.2 Å²	99.2	58%	0.575	50%	0.495	S	S	*	.	H	α-helix	trans	-60.8	-42.7	174.5	-169.1	169.9	-148.6	0	0	111	A178 V185 Q186	A178-E182 VanDerWaalsContact O-CB 3.31Å; A178-E182 WeakPolarHBondContact O-CB 3.45Å; A178-E182 PolarHBondContact O-N 2.92Å; E182-V185 PolarHBondContact O-N 2.92Å; E182-Q186 VanDerWaalsContact O-CB 3.3Å; E182-Q186 WeakPolarHBondContact O-CB 3.11Å; E182-Q186 PolarHBondContact O-N 2.86Å
183	E	79.2	Confident	74.6	Confident	101 Å²	101	100.5 Å²	100.5	47%	0.472	50%	0.503	S	S	.	.	H	α-helix	trans	-67.3	-35.3	173.5	-165.6	-175.8	178	0	0	113	L179 R187	L179-E183 WeakPolarHBondContact O-CB 3.45Å; L179-E183 PolarHBondContact O-N 2.86Å; E183-R187 VanDerWaalsContact O-CG 3.27Å; E183-R187 WeakPolarHBondContact O-CG 3.46Å; E183-R187 PolarHBondContact O-N 3.27Å; E183-R187 VanDerWaalsContact O-N 3.11Å; E183-R187 IonicContact OE1-CZ 3.15Å; E183-R187 IonicContact OE1-NE 2.68Å; E183-R187 IonicContact OE1-NH2 2.8Å; E183-R187 PolarHBondContact OE1-NH2 2.84Å
184	R	77	Confident	76	Confident	177 Å²	177	102.4 Å²	102.4	67%	0.668	51%	0.506	S	S	*	.	H	α-helix	trans	-65.7	-45.7	172.3	-77.8	176.3	175.4	-152.2	-2.8	111.2	T180 A181 R187 S188	T180-R184 VanDerWaalsContact O-CG 3.31Å; T180-R184 WeakPolarHBondContact O-CG 3.25Å; T180-R184 PolarHBondContact O-N 2.65Å; T180-R184 VanDerWaalsContact O-N 3.08Å; A181-R184 WeakPolarHBondContact O-CB 3.26Å; A181-R184 PolarHBondContact O-N 2.99Å; R184-R187 PolarHBondContact O-N 2.87Å; R184-S188 WeakPolarHBondContact O-CB 3.43Å; R184-S188 PolarHBondContact O-N 3.45Å; R184-S188 PolarHBondContact O-OG 2.85Å
185	V	77.2	Confident	77	Confident	73 Å²	73	101.8 Å²	101.8	44%	0.442	51%	0.505	S	S	.	.	H	α-helix	trans	-60.2	-52.1	176.2	168.9	0	0	0	0	109.7	A181 E182 R187 S188 E189	A181-V185 WeakPolarHBondContact O-CB 3.35Å; A181-V185 WeakPolarHBondContact O-CG2 3.42Å; A181-V185 PolarHBondContact O-N 3.27Å; E182-V185 PolarHBondContact O-N 2.92Å; V185-R187 VanDerWaalsContact C-N 3.32Å; V185-R187 PolarHBondContact O-N 3.19Å; V185-S188 WeakPolarHBondContact CA-OG 3.44Å; V185-S188 CarbonylContact O-C 3.21Å; V185-S188 WeakPolarHBondContact O-CA 3.46Å; V185-S188 PolarHBondContact O-N 3.22Å; V185-S188 PolarHBondContact O-OG 3.39Å; V185-E189 HydrophobicContact CG1-CG 4.05Å; V185-E189 WeakPolarHBondContact O-CG 3.36Å; V185-E189 PolarHBondContact O-N 3.06Å
186	Q	84.9	Confident	77.4	Confident	106 Å²	106	103.4 Å²	103.4	50%	0.495	51%	0.512	S	S	.	.	H	α-helix	trans	-52	-47.9	177.6	-168.5	85.7	90.7	0	0	112.1	E182 S188 E189 E190	E182-Q186 VanDerWaalsContact O-CB 3.3Å; E182-Q186 WeakPolarHBondContact O-CB 3.11Å; E182-Q186 PolarHBondContact O-N 2.86Å; Q186-S188 VanDerWaalsContact C-N 3.34Å; Q186-S188 PolarHBondContact O-N 2.91Å; Q186-E189 PolarHBondContact O-N 3.14Å; Q186-E190 WeakPolarHBondContact O-CG 3.5Å; Q186-E190 PolarHBondContact O-N 3.4Å
187	R	80.8	Confident	78	Confident	158 Å²	158	100 Å²	100	60%	0.596	50%	0.503	S	S	*	.	H	α-helix	trans	-66	-34.9	177.2	-69.4	173.7	-172.4	-157.2	7.5	112.8	E183 R184 V185 A191	E183-R187 VanDerWaalsContact O-CG 3.27Å; E183-R187 WeakPolarHBondContact O-CG 3.46Å; E183-R187 PolarHBondContact O-N 3.27Å; E183-R187 VanDerWaalsContact O-N 3.11Å; E183-R187 IonicContact OE1-CZ 3.15Å; E183-R187 IonicContact OE1-NE 2.68Å; E183-R187 IonicContact OE1-NH2 2.8Å; E183-R187 PolarHBondContact OE1-NH2 2.84Å; R184-R187 PolarHBondContact O-N 2.87Å; V185-R187 VanDerWaalsContact C-N 3.32Å; V185-R187 PolarHBondContact O-N 3.19Å; R187-A191 WeakPolarHBondContact O-CB 3.11Å; R187-A191 PolarHBondContact O-N 3.47Å; R187-A191 VanDerWaalsContact O-N 3.09Å
188	S	70.3	Confident	78.2	Confident	61 Å²	61	95.6 Å²	95.6	43%	0.427	49%	0.492	S	S	.	.	H	α-helix	trans	-71.4	-39.1	175.3	74.2	0	0	0	0	112.2	R184 V185 Q186 A191 V192	R184-S188 WeakPolarHBondContact O-CB 3.43Å; R184-S188 PolarHBondContact O-N 3.45Å; R184-S188 PolarHBondContact O-OG 2.85Å; V185-S188 WeakPolarHBondContact CA-OG 3.44Å; V185-S188 CarbonylContact O-C 3.21Å; V185-S188 WeakPolarHBondContact O-CA 3.46Å; V185-S188 PolarHBondContact O-N 3.22Å; V185-S188 PolarHBondContact O-OG 3.39Å; Q186-S188 VanDerWaalsContact C-N 3.34Å; Q186-S188 PolarHBondContact O-N 2.91Å; S188-A191 PolarHBondContact O-N 2.67Å; S188-V192 WeakPolarHBondContact O-CB 3.33Å; S188-V192 WeakPolarHBondContact O-CG2 3.42Å; S188-V192 PolarHBondContact O-N 2.94Å
189	E	82.5	Confident	78.1	Confident	106 Å²	106	97.6 Å²	97.6	50%	0.495	50%	0.498	S	S	.	.	H	α-helix	trans	-64.8	-42.3	173.2	-71	178	156.5	0	0	111	V185 Q186 A191 V192 A193	V185-E189 HydrophobicContact CG1-CG 4.05Å; V185-E189 WeakPolarHBondContact O-CG 3.36Å; V185-E189 PolarHBondContact O-N 3.06Å; Q186-E189 PolarHBondContact O-N 3.14Å; E189-A191 VanDerWaalsContact C-N 3.26Å; E189-A191 PolarHBondContact O-N 2.62Å; E189-V192 PolarHBondContact O-N 2.99Å; E189-A193 WeakPolarHBondContact O-CB 3.45Å; E189-A193 PolarHBondContact O-N 3.41Å
190	E	85.9	Confident	77.5	Confident	96 Å²	96	98.3 Å²	98.3	45%	0.449	50%	0.499	S	S	.	.	H	α-helix	trans	-64.9	-28.5	173	-72	-179.7	-158.3	0	0	113.1	Q186 R194	Q186-E190 WeakPolarHBondContact O-CG 3.5Å; Q186-E190 PolarHBondContact O-N 3.4Å; E190-R194 VanDerWaalsContact CB-NH2 3.34Å; E190-R194 WeakPolarHBondContact O-CG 3.41Å; E190-R194 PolarHBondContact O-N 3.03Å; E190-R194 PolarHBondContact O-NE 3.27Å; E190-R194 IonicContact OE2-NH2 3.65Å; E190-R194 PolarHBondContact OE2-NH2 3.2Å
191	A	81.6	Confident	77.3	Confident	44 Å²	44	99.2 Å²	99.2	36%	0.364	50%	0.497	S	S	.	.	H	α-helix	trans	-78.4	-44.7	176.1	0	0	0	0	0	111.2	R187 S188 E189 R194 L195	R187-A191 WeakPolarHBondContact O-CB 3.11Å; R187-A191 PolarHBondContact O-N 3.47Å; R187-A191 VanDerWaalsContact O-N 3.09Å; S188-A191 PolarHBondContact O-N 2.67Å; E189-A191 VanDerWaalsContact C-N 3.26Å; E189-A191 PolarHBondContact O-N 2.62Å; A191-R194 PolarHBondContact O-N 2.63Å; A191-L195 WeakPolarHBondContact O-CG 3.45Å; A191-L195 PolarHBondContact O-N 3.25Å
192	V	77.3	Confident	76.8	Confident	78 Å²	78	102.6 Å²	102.6	47%	0.473	51%	0.508	S	S	.	.	H	α-helix	trans	-62.8	-41.9	173.9	169.8	0	0	0	0	110.7	S188 E189 R194 L195 M196	S188-V192 WeakPolarHBondContact O-CB 3.33Å; S188-V192 WeakPolarHBondContact O-CG2 3.42Å; S188-V192 PolarHBondContact O-N 2.94Å; E189-V192 PolarHBondContact O-N 2.99Å; V192-R194 PolarHBondContact O-N 3.34Å; V192-L195 CarbonylContact O-C 3.58Å; V192-L195 PolarHBondContact O-N 3.29Å; V192-M196 HydrophobicContact CG1-CG 4.16Å; V192-M196 HydrophobicContact CG1-SD 3.79Å; V192-M196 WeakPolarHBondContact O-CB 3.39Å; V192-M196 VanDerWaalsContact O-CG 3.25Å; V192-M196 WeakPolarHBondContact O-CG 3.38Å; V192-M196 PolarHBondContact O-N 2.88Å
193	A	85.3	Confident	75.5	Confident	55 Å²	55	104.5 Å²	104.5	46%	0.455	51%	0.509	S	S	.	.	H	α-helix	trans	-61	-42.7	175.6	0	0	0	0	0	111.9	E189 M196 E197	E189-A193 WeakPolarHBondContact O-CB 3.45Å; E189-A193 PolarHBondContact O-N 3.41Å; A193-M196 PolarHBondContact O-N 3.17Å; A193-E197 WeakPolarHBondContact O-CB 3.17Å; A193-E197 PolarHBondContact O-N 2.54Å
194	R	84.7	Confident	74.2	Confident	138 Å²	138	104.1 Å²	104.1	52%	0.521	51%	0.51	S	S	.	.	H	α-helix	trans	-62.1	-47.5	173	-82.7	175.6	-88.6	-151.1	-8.4	111.8	E190 A191 V192 M196 E197 D198	E190-R194 VanDerWaalsContact CB-NH2 3.34Å; E190-R194 WeakPolarHBondContact O-CG 3.41Å; E190-R194 PolarHBondContact O-N 3.03Å; E190-R194 PolarHBondContact O-NE 3.27Å; E190-R194 IonicContact OE2-NH2 3.65Å; E190-R194 PolarHBondContact OE2-NH2 3.2Å; A191-R194 PolarHBondContact O-N 2.63Å; V192-R194 PolarHBondContact O-N 3.34Å; R194-M196 VanDerWaalsContact C-N 3.32Å; R194-M196 PolarHBondContact O-N 3.24Å; R194-E197 WeakPolarHBondContact O-CB 3.26Å; R194-E197 PolarHBondContact O-N 2.99Å; R194-D198 PolarHBondContact O-N 3.22Å
195	L	78.1	Confident	73.2	Confident	115 Å²	115	99.9 Å²	99.9	60%	0.602	50%	0.501	S	S	*	.	H	α-helix	trans	-63.3	-35.5	176.4	-70	169.5	0	0	0	112.7	A191 V192 D198 V199	A191-L195 WeakPolarHBondContact O-CG 3.45Å; A191-L195 PolarHBondContact O-N 3.25Å; V192-L195 CarbonylContact O-C 3.58Å; V192-L195 PolarHBondContact O-N 3.29Å; L195-D198 PolarHBondContact O-N 2.9Å; L195-V199 VanDerWaalsContact O-CB 3.32Å; L195-V199 WeakPolarHBondContact O-CB 3.36Å; L195-V199 VanDerWaalsContact O-CG2 3.23Å; L195-V199 WeakPolarHBondContact O-CG2 3.38Å; L195-V199 PolarHBondContact O-N 2.8Å
196	M	76.3	Confident	71.9	Confident	129 Å²	129	98.9 Å²	98.9	64%	0.635	50%	0.5	S	S	*	.	H	α-helix	trans	-70.5	-36.2	173.9	-74.1	179.4	73.8	0	0	112	V192 A193 R194 H200	V192-M196 HydrophobicContact CG1-CG 4.16Å; V192-M196 HydrophobicContact CG1-SD 3.79Å; V192-M196 WeakPolarHBondContact O-CB 3.39Å; V192-M196 VanDerWaalsContact O-CG 3.25Å; V192-M196 WeakPolarHBondContact O-CG 3.38Å; V192-M196 PolarHBondContact O-N 2.88Å; A193-M196 PolarHBondContact O-N 3.17Å; R194-M196 VanDerWaalsContact C-N 3.32Å; R194-M196 PolarHBondContact O-N 3.24Å; M196-H200 WeakPolarHBondContact O-CB 3.18Å; M196-H200 PolarHBondContact O-N 2.61Å
197	E	79.1	Confident	69.8	Low	108 Å²	108	98.5 Å²	98.5	51%	0.505	50%	0.498	S	S	.	.	H	α-helix	trans	-65.4	-41.7	172.5	-160.5	-164.6	123.8	0	0	110.9	A193 R194 H200 K201	A193-E197 WeakPolarHBondContact O-CB 3.17Å; A193-E197 PolarHBondContact O-N 2.54Å; R194-E197 WeakPolarHBondContact O-CB 3.26Å; R194-E197 PolarHBondContact O-N 2.99Å; E197-H200 CarbonylContact O-C 3.55Å; E197-H200 WeakPolarHBondContact O-CB 3.28Å; E197-H200 PolarHBondContact O-N 2.95Å; E197-K201 WeakPolarHBondContact O-CG 3.08Å; E197-K201 PolarHBondContact O-N 2.84Å; E197-K201 WeakPolarHBondContact OE1-CE 3.19Å; E197-K201 IonicContact OE1-NZ 3.7Å; E197-K201 PolarHBondContact OE1-NZ 3.19Å
198	D	74.1	Confident	68	Low	74 Å²	74	92.7 Å²	92.7	40%	0.396	49%	0.487	S	S	.	.	H	α-helix	trans	-71.1	-38.9	177.4	-66.6	-23	0	0	0	112.2	R194 L195 H200 K201 L202	R194-D198 PolarHBondContact O-N 3.22Å; L195-D198 PolarHBondContact O-N 2.9Å; D198-H200 VanDerWaalsContact C-N 3.29Å; D198-H200 PolarHBondContact O-N 3.39Å; D198-K201 PolarHBondContact O-N 3.11Å; D198-K201 IonicContact OD1-NZ 2.83Å; D198-K201 PolarHBondContact OD1-NZ 2.98Å; D198-L202 WeakPolarHBondContact O-CB 3.31Å; D198-L202 PolarHBondContact O-N 2.98Å
199	V	67.8	Low	66.9	Low	94 Å²	94	95.1 Å²	95.1	57%	0.57	50%	0.495	S	S	*	.	H	α-helix	trans	-63.8	-34.7	168.5	167.2	0	0	0	0	111.2	L195 L202 R203	L195-V199 VanDerWaalsContact O-CB 3.32Å; L195-V199 WeakPolarHBondContact O-CB 3.36Å; L195-V199 VanDerWaalsContact O-CG2 3.23Å; L195-V199 WeakPolarHBondContact O-CG2 3.38Å; L195-V199 PolarHBondContact O-N 2.8Å; V199-L202 PolarHBondContact O-N 3.36Å; V199-R203 VanDerWaalsContact O-CB 3.27Å; V199-R203 WeakPolarHBondContact O-CB 3.24Å; V199-R203 PolarHBondContact O-N 3.23Å
200	H	62.5	Low	65.1	Low	109 Å²	109	95.3 Å²	95.3	51%	0.505	50%	0.503	S	S	.	.	H	α-helix	trans	-68.5	-41	174.2	-170.9	78.2	0	0	0	111.6	M196 E197 D198 R203 L204	M196-H200 WeakPolarHBondContact O-CB 3.18Å; M196-H200 PolarHBondContact O-N 2.61Å; E197-H200 CarbonylContact O-C 3.55Å; E197-H200 WeakPolarHBondContact O-CB 3.28Å; E197-H200 PolarHBondContact O-N 2.95Å; D198-H200 VanDerWaalsContact C-N 3.29Å; D198-H200 PolarHBondContact O-N 3.39Å; H200-R203 PolarHBondContact O-N 3.24Å; H200-L204 WeakPolarHBondContact O-CB 3.45Å; H200-L204 WeakPolarHBondContact O-CG 3.38Å; H200-L204 PolarHBondContact O-N 2.87Å
201	K	68.6	Low	62.9	Low	89 Å²	89	97.4 Å²	97.4	39%	0.387	52%	0.517	S	S	.	.	H	α-helix	trans	-60	-49.1	170.9	-68.3	164	-162.1	152.8	0	111.1	E197 D198 R203 L204 L205	E197-K201 WeakPolarHBondContact O-CG 3.08Å; E197-K201 PolarHBondContact O-N 2.84Å; E197-K201 WeakPolarHBondContact OE1-CE 3.19Å; E197-K201 IonicContact OE1-NZ 3.7Å; E197-K201 PolarHBondContact OE1-NZ 3.19Å; D198-K201 PolarHBondContact O-N 3.11Å; D198-K201 IonicContact OD1-NZ 2.83Å; D198-K201 PolarHBondContact OD1-NZ 2.98Å; K201-R203 VanDerWaalsContact C-N 3.28Å; K201-R203 PolarHBondContact O-N 3.45Å; K201-L204 PolarHBondContact O-N 3.31Å; K201-L205 VanDerWaalsContact O-CG 3.28Å; K201-L205 WeakPolarHBondContact O-CG 3.36Å; K201-L205 PolarHBondContact O-N 3.49Å
202	L	61.2	Low	60.7	Low	120 Å²	120	101.2 Å²	101.2	63%	0.628	53%	0.531	S	S	*	.	H	α-helix	trans	-57	-38.8	173.6	-93.5	142.1	0	0	0	112.6	D198 V199 A206	D198-L202 WeakPolarHBondContact O-CB 3.31Å; D198-L202 PolarHBondContact O-N 2.98Å; V199-L202 PolarHBondContact O-N 3.36Å; L202-A206 WeakPolarHBondContact O-CB 3.4Å; L202-A206 PolarHBondContact O-N 2.84Å
203	R	51	Low	58.9	Low	163 Å²	163	102.4 Å²	102.4	62%	0.615	54%	0.543	S	S	*	.	H	α-helix	trans	-71.3	-37.4	176.3	-169.8	173.3	-175.5	167.9	2.1	112.6	V199 H200 K201 A206 Q207	V199-R203 VanDerWaalsContact O-CB 3.27Å; V199-R203 WeakPolarHBondContact O-CB 3.24Å; V199-R203 PolarHBondContact O-N 3.23Å; H200-R203 PolarHBondContact O-N 3.24Å; K201-R203 VanDerWaalsContact C-N 3.28Å; K201-R203 PolarHBondContact O-N 3.45Å; R203-A206 PolarHBondContact O-N 2.87Å; R203-Q207 WeakPolarHBondContact O-CB 3.41Å; R203-Q207 VanDerWaalsContact O-CG 3.3Å; R203-Q207 WeakPolarHBondContact O-CG 3.39Å; R203-Q207 PolarHBondContact O-N 3.26Å
204	L	52.7	Low	56.3	Low	93 Å²	93	108.9 Å²	108.9	49%	0.487	56%	0.563	S	S	.	*	H	α-helix	trans	-66.7	-40.6	173	-74.8	172.6	0	0	0	111.5	H200 K201 Q207 G208	H200-L204 WeakPolarHBondContact O-CB 3.45Å; H200-L204 WeakPolarHBondContact O-CG 3.38Å; H200-L204 PolarHBondContact O-N 2.87Å; K201-L204 PolarHBondContact O-N 3.31Å; L204-Q207 PolarHBondContact O-N 3.24Å; L204-G208 PolarHBondContact O-N 3.26Å
205	L	55.8	Low	54.2	Low	89 Å²	89	108.3 Å²	108.3	47%	0.466	58%	0.578	S	S	.	*	H	α-helix	trans	-59.9	-48.8	171.9	-69.5	167.3	0	0	0	110.8	K201 Q207 G208 L209 A234	K201-L205 VanDerWaalsContact O-CG 3.28Å; K201-L205 WeakPolarHBondContact O-CG 3.36Å; K201-L205 PolarHBondContact O-N 3.49Å; L205-Q207 VanDerWaalsContact C-N 3.33Å; L205-Q207 PolarHBondContact O-N 2.89Å; L205-G208 PolarHBondContact O-N 2.98Å; L205-L209 WeakPolarHBondContact O-CG 3.27Å; L205-L209 PolarHBondContact O-N 3.21Å; L205-L209 VanDerWaalsContact O-N 3.08Å; L205-A234 HydrophobicContact CD1-CB 4.5Å; L205-A234 HydrophobicContact CD2-CB 3.74Å
206	A	49	Very low	52.2	Low	51 Å²	51	106.5 Å²	106.5	42%	0.421	59%	0.587	S	S	.	*	H	α-helix	trans	-61.6	-37.3	175.9	0	0	0	0	0	113	L202 R203 V210	L202-A206 WeakPolarHBondContact O-CB 3.4Å; L202-A206 PolarHBondContact O-N 2.84Å; R203-A206 PolarHBondContact O-N 2.87Å; A206-V210 WeakPolarHBondContact O-CG2 3.36Å
207	Q	41.4	Very low	50.3	Low	98 Å²	98	112.3 Å²	112.3	46%	0.458	60%	0.602	S	S	.	*	H	α-helix	trans	-74.5	-37.3	177.1	-76.1	178.3	-31.4	0	0	112.6	R203 L204 L205 L209 V210 L211	R203-Q207 WeakPolarHBondContact O-CB 3.41Å; R203-Q207 VanDerWaalsContact O-CG 3.3Å; R203-Q207 WeakPolarHBondContact O-CG 3.39Å; R203-Q207 PolarHBondContact O-N 3.26Å; L204-Q207 PolarHBondContact O-N 3.24Å; L205-Q207 VanDerWaalsContact C-N 3.33Å; L205-Q207 PolarHBondContact O-N 2.89Å; Q207-L209 VanDerWaalsContact C-N 3.31Å; Q207-L209 PolarHBondContact O-N 2.94Å; Q207-V210 PolarHBondContact O-N 3.41Å; Q207-V210 VanDerWaalsContact O-N 3.11Å; Q207-L211 PolarHBondContact O-N 2.82Å
208	G	42.3	Very low	48.1	Very low	36 Å²	36	110.2 Å²	110.2	37%	0.371	61%	0.61	S	S	.	*	H	α-helix	trans	-62.1	-37	174.2	0	0	0	0	0	112.9	L204 L205 V210	L204-G208 PolarHBondContact O-N 3.26Å; L205-G208 PolarHBondContact O-N 2.98Å; G208-V210 VanDerWaalsContact C-N 3.27Å; G208-V210 PolarHBondContact O-N 3.47Å
209	L	47.2	Very low	46.4	Very low	112 Å²	112	109 Å²	109	59%	0.586	62%	0.615	S	S	*	*	H	α-helix	trans	-63.2	-29.6	172.9	-75.3	165.3	0	0	0	113.3	L205 Q207	L205-L209 WeakPolarHBondContact O-CG 3.27Å; L205-L209 PolarHBondContact O-N 3.21Å; L205-L209 VanDerWaalsContact O-N 3.08Å; Q207-L209 VanDerWaalsContact C-N 3.31Å; Q207-L209 PolarHBondContact O-N 2.94Å
210	V	45.7	Very low	45.3	Very low	111 Å²	111	112.8 Å²	112.8	67%	0.673	63%	0.632	S	S	*	*	H	α-helix	trans	-93	-38.8	-177.3	179.5	0	0	0	0	112.5	A206 Q207 G208	A206-V210 WeakPolarHBondContact O-CG2 3.36Å; Q207-V210 PolarHBondContact O-N 3.41Å; Q207-V210 VanDerWaalsContact O-N 3.11Å; G208-V210 VanDerWaalsContact C-N 3.27Å; G208-V210 PolarHBondContact O-N 3.47Å
211	L	39	Very low	45	Very low	140 Å²	140	112.7 Å²	112.7	73%	0.733	63%	0.634	S	S	*	*	S	Bend	trans	-123.3	52.5	-168.2	-66.5	179.7	0	0	0	114.7	Q207	Q207-L211 PolarHBondContact O-N 2.82Å
212	N	35.8	Very low	44.6	Very low	123 Å²	123	109.2 Å²	109.2	66%	0.658	62%	0.624	S	S	*	*			trans	-134.9	132	156.4	-92.6	-49.2	0	0	0	112.1	K525	N212-K525 PolarHBondContact O-NZ 3.47Å
213	S	39.7	Very low	45	Very low	104 Å²	104	105.8 Å²	105.8	73%	0.727	61%	0.612	S	S	*	*			trans	-158.9	57.3	-168.9	66.5	0	0	0	0	115.4
214	E	31	Very low	46.2	Very low	190 Å²	190	98.1 Å²	98.1	89%	0.888	58%	0.584	S	S	*	*			trans	-127.1	141.4	153.9	-73.9	-143.6	159	0	0	111.1
215	P	40.3	Very low	46.9	Very low	127 Å²	127	94.8 Å²	94.8	83%	0.825	57%	0.57	S	S	*	*			trans	-89.6	117.8	-179.1	33.2	-31.9	0	0	0	112.5
216	G	36.8	Very low	47.8	Very low	77 Å²	77	94.3 Å²	94.3	79%	0.794	57%	0.565	S	S	*	*			trans	-59	153.3	168.6	0	0	0	0	0	113.2	G218	G216-G218 PolarHBondContact O-N 2.84Å
217	R	36.1	Very low	48.9	Very low	250 Å²	250	92.9 Å²	92.9	94%	0.943	55%	0.55	S	S	*	*			trans	-89	103.7	175.8	-79.2	-178.3	170.4	176.2	-1.9	110.6
218	G	33.1	Very low	50.1	Low	65 Å²	65	94.3 Å²	94.3	67%	0.67	55%	0.551	S	S	*	*			trans	-58.1	134.6	178.5	0	0	0	0	0	114.1	G216 E226	G216-G218 PolarHBondContact O-N 2.84Å; G218-E226 WeakPolarHBondContact CA-OE2 3.16Å
219	G	37.2	Very low	51	Low	49 Å²	49	98.3 Å²	98.3	51%	0.505	56%	0.561	S	S	.	*			trans	-95.1	-160.1	164.5	0	0	0	0	0	112	E226	G219-E226 WeakPolarHBondContact CA-OE1 3.32Å; G219-E226 PolarHBondContact N-OE1 3.33Å; G219-E226 PolarHBondContact N-OE2 2.79Å
220	N	46	Very low	51.5	Low	173 Å²	173	97.4 Å²	97.4	93%	0.925	56%	0.556	S	S	*	*	S	Bend	trans	-93.1	4.8	-179.5	-75.3	-0.5	0	0	0	113.5
221	L	55	Low	52.3	Low	107 Å²	107	96.7 Å²	96.7	56%	0.56	55%	0.545	S	S	*	.	S	Bend	trans	-88.4	-16.8	-171.6	-73.2	166.4	0	0	0	113.8	A225 Y361	L221-A225 HydrophobicContact CB-CB 4.04Å; L221-Y361 HydrophobicContact CD2-CE2 4.29Å
222	G	59.7	Low	53.8	Low	16 Å²	16	90.1 Å²	90.1	17%	0.165	51%	0.511	C	S	.	.			trans	95.5	152.1	-176.8	0	0	0	0	0	112.3	V224 A225 E226	G222-V224 VanDerWaalsContact C-N 3.31Å; G222-V224 PolarHBondContact O-N 2.95Å; G222-A225 PolarHBondContact O-N 3.44Å; G222-E226 PolarHBondContact O-N 3.12Å
223	A	70.3	Confident	55.6	Low	47 Å²	47	90.7 Å²	90.7	39%	0.388	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-29.4	-168.9	0	0	0	0	0	113.7	P527	A223-P527 HydrophobicContact CB-CB 3.88Å; A223-P527 HydrophobicContact CB-CG 3.88Å
224	V	76	Confident	57	Low	2 Å²	2	88.2 Å²	88.2	1%	0.012	50%	0.496	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-42.9	175.8	179	0	0	0	0	111.4	G222 E226 L227 D357 P527	G222-V224 VanDerWaalsContact C-N 3.31Å; G222-V224 PolarHBondContact O-N 2.95Å; V224-E226 PolarHBondContact O-N 2.7Å; V224-L227 WeakPolarHBondContact O-CB 3.32Å; V224-L227 PolarHBondContact O-N 3.48Å; V224-L227 VanDerWaalsContact O-N 3.11Å; V224-D357 HydrophobicContact CB-CB 4.04Å; V224-D357 HydrophobicContact CG2-CB 4.03Å; V224-D357 WeakPolarHBondContact CG2-OD2 3.11Å; V224-P527 HydrophobicContact CG2-CB 4.18Å
225	A	67.2	Low	59.1	Low	23 Å²	23	80.8 Å²	80.8	19%	0.19	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-12.8	177.8	0	0	0	0	0	113.6	L221 G222 E329	L221-A225 HydrophobicContact CB-CB 4.04Å; G222-A225 PolarHBondContact O-N 3.44Å; A225-E329 HydrophobicContact CB-CG 3.92Å
226	E	74.2	Confident	60.7	Low	79 Å²	79	76.4 Å²	76.4	37%	0.369	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-3.9	175.3	-69.8	175.4	-170.3	0	0	113	G218 G219 G222 V224	G218-E226 WeakPolarHBondContact CA-OE2 3.16Å; G219-E226 WeakPolarHBondContact CA-OE1 3.32Å; G219-E226 PolarHBondContact N-OE1 3.33Å; G219-E226 PolarHBondContact N-OE2 2.79Å; G222-E226 PolarHBondContact O-N 3.12Å; V224-E226 PolarHBondContact O-N 2.7Å
227	L	72.5	Confident	62.5	Low	21 Å²	21	76.7 Å²	76.7	11%	0.11	42%	0.418	C	S	.	.			trans	-68.6	140.1	172.1	-70.5	173.3	0	0	0	111.6	V224 E231 D232 R327 P527	V224-L227 WeakPolarHBondContact O-CB 3.32Å; V224-L227 PolarHBondContact O-N 3.48Å; V224-L227 VanDerWaalsContact O-N 3.11Å; L227-E231 HydrophobicContact CD2-CB 4.07Å; L227-D232 HydrophobicContact CD1-CB 4.48Å; L227-R327 PolarHBondContact O-NH1 3.39Å; L227-R327 PolarHBondContact O-NH2 3.44Å; L227-P527 HydrophobicContact CD1-CB 4.48Å; L227-P527 HydrophobicContact CD1-CG 4.34Å; L227-P527 HydrophobicContact CD2-CG 3.95Å; L227-P527 HydrophobicContact CG-CG 4.23Å
228	R	67.9	Low	64.3	Low	128 Å²	128	67.1 Å²	67.1	48%	0.483	39%	0.389	S	S	.	.			trans	-79.9	155.4	171.1	-54.7	-179.1	-62.6	109.3	7.4	110.1	D230 E231 D232	R228-D230 WeakPolarHBondContact CB-OD1 3.42Å; R228-D230 IonicContact CZ-OD1 2.62Å; R228-D230 IonicContact CZ-OD2 3.22Å; R228-D230 IonicContact NH1-OD1 2.78Å; R228-D230 PolarHBondContact NH1-OD1 2.9Å; R228-D230 IonicContact NH1-OD2 2.83Å; R228-D230 PolarHBondContact NH1-OD2 3.44Å; R228-D230 IonicContact NH2-OD1 3.61Å; R228-D230 IonicContact NH2-OD2 3.88Å; R228-D230 PolarHBondContact NH2-OD2 2.9Å; R228-D230 PolarHBondContact O-N 3.34Å; R228-E231 HydrophobicContact CB-CG 4.2Å; R228-E231 WeakPolarHBondContact CB-OE2 3.37Å; R228-E231 WeakPolarHBondContact CG-OE2 3.02Å; R228-E231 IonicContact CZ-OE1 3.85Å; R228-E231 PolarHBondContact N-OE2 2.95Å; R228-E231 VanDerWaalsContact NE-CD 3.26Å; R228-E231 IonicContact NE-OE1 2.86Å; R228-E231 PolarHBondContact NE-OE1 3.31Å; R228-E231 IonicContact NE-OE2 3.67Å; R228-E231 VanDerWaalsContact NH2-CD 3.34Å; R228-E231 IonicContact NH2-OE1 3.94Å; R228-E231 PolarHBondContact NH2-OE1 3.06Å; R228-E231 WeakPolarHBondContact O-CB 3.35Å; R228-E231 PolarHBondContact O-N 2.85Å; R228-D232 PolarHBondContact O-N 2.92Å
229	E	60	Low	66.5	Low	121 Å²	121	66.3 Å²	66.3	57%	0.565	37%	0.366	S	S	*	.	H	α-helix	trans	-58.8	-34.2	-177.8	-67.7	-171.8	113.2	0	0	112.7	E231 D232 E233 Q301	E229-E231 VanDerWaalsContact C-N 3.33Å; E229-E231 PolarHBondContact O-N 3.22Å; E229-D232 PolarHBondContact O-N 2.9Å; E229-E233 PolarHBondContact O-N 2.78Å; E229-Q301 PolarHBondContact OE1-NE2 2.85Å
230	D	57	Low	68.2	Low	93 Å²	93	65.1 Å²	65.1	50%	0.497	35%	0.354	S	S	.	.	H	α-helix	trans	-73.6	-19.3	176.4	60.5	-62.6	0	0	0	114.2	R228	R228-D230 WeakPolarHBondContact CB-OD1 3.42Å; R228-D230 IonicContact CZ-OD1 2.62Å; R228-D230 IonicContact CZ-OD2 3.22Å; R228-D230 IonicContact NH1-OD1 2.78Å; R228-D230 PolarHBondContact NH1-OD1 2.9Å; R228-D230 IonicContact NH1-OD2 2.83Å; R228-D230 PolarHBondContact NH1-OD2 3.44Å; R228-D230 IonicContact NH2-OD1 3.61Å; R228-D230 IonicContact NH2-OD2 3.88Å; R228-D230 PolarHBondContact NH2-OD2 2.9Å; R228-D230 PolarHBondContact O-N 3.34Å
231	E	62.8	Low	69.8	Low	95 Å²	95	61.8 Å²	61.8	44%	0.444	33%	0.333	S	S	.	.	H	α-helix	trans	-84.4	-19.3	175.5	-65.1	167.1	164.4	0	0	111.9	L227 R228 E229	L227-E231 HydrophobicContact CD2-CB 4.07Å; R228-E231 HydrophobicContact CB-CG 4.2Å; R228-E231 WeakPolarHBondContact CB-OE2 3.37Å; R228-E231 WeakPolarHBondContact CG-OE2 3.02Å; R228-E231 IonicContact CZ-OE1 3.85Å; R228-E231 PolarHBondContact N-OE2 2.95Å; R228-E231 VanDerWaalsContact NE-CD 3.26Å; R228-E231 IonicContact NE-OE1 2.86Å; R228-E231 PolarHBondContact NE-OE1 3.31Å; R228-E231 IonicContact NE-OE2 3.67Å; R228-E231 VanDerWaalsContact NH2-CD 3.34Å; R228-E231 IonicContact NH2-OE1 3.94Å; R228-E231 PolarHBondContact NH2-OE1 3.06Å; R228-E231 WeakPolarHBondContact O-CB 3.35Å; R228-E231 PolarHBondContact O-N 2.85Å; E229-E231 VanDerWaalsContact C-N 3.33Å; E229-E231 PolarHBondContact O-N 3.22Å
232	D	71.4	Confident	71.1	Confident	3 Å²	3	64.2 Å²	64.2	2%	0.016	34%	0.336	C	S	.	.	H	α-helix	trans	-114.2	-4.3	-174	-141.6	16.6	0	0	0	112.2	L227 R228 E229 A234 Y235 F236 R327 R528	L227-D232 HydrophobicContact CD1-CB 4.48Å; R228-D232 PolarHBondContact O-N 2.92Å; E229-D232 PolarHBondContact O-N 2.9Å; D232-A234 VanDerWaalsContact C-N 3.33Å; D232-A234 PolarHBondContact O-N 3.21Å; D232-Y235 WeakPolarHBondContact O-CB 3.18Å; D232-Y235 PolarHBondContact O-N 2.61Å; D232-F236 HydrophobicContact CB-CD2 4.32Å; D232-F236 HydrophobicContact CB-CE2 3.99Å; D232-F236 VanDerWaalsContact O-CD2 3.26Å; D232-F236 WeakPolarHBondContact O-CD2 3.49Å; D232-F236 PolarHBondContact O-N 2.88Å; D232-F236 WeakPolarHBondContact OD2-CE2 3.47Å; D232-R327 IonicContact OD2-NH1 2.67Å; D232-R528 IonicContact OD1-CZ 2.63Å; D232-R528 IonicContact OD1-NE 2.65Å; D232-R528 PolarHBondContact OD1-NE 2.8Å; D232-R528 IonicContact OD1-NH2 3.68Å; D232-R528 PolarHBondContact OD1-NH2 2.73Å; D232-R528 IonicContact OD2-CZ 2.62Å; D232-R528 IonicContact OD2-NH2 2.86Å; D232-R528 PolarHBondContact OD2-NH2 3.31Å
233	E	72.9	Confident	72.2	Confident	135 Å²	135	64.6 Å²	64.6	63%	0.631	34%	0.34	S	S	*	.	H	α-helix	trans	-58.3	-42.1	-178.3	-177.3	174.5	-166.9	0	0	112.2	E229 Y235 F236 S237	E229-E233 PolarHBondContact O-N 2.78Å; E233-Y235 VanDerWaalsContact C-N 3.28Å; E233-Y235 PolarHBondContact O-N 2.86Å; E233-F236 PolarHBondContact O-N 3.08Å; E233-S237 WeakPolarHBondContact O-CB 3.44Å; E233-S237 PolarHBondContact O-N 2.83Å
234	A	70.3	Confident	72.9	Confident	52 Å²	52	65 Å²	65	43%	0.43	34%	0.335	S	S	.	.	H	α-helix	trans	-60.6	-37.9	179.7	0	0	0	0	0	112.6	L205 D232 S238	L205-A234 HydrophobicContact CD1-CB 4.5Å; L205-A234 HydrophobicContact CD2-CB 3.74Å; D232-A234 VanDerWaalsContact C-N 3.33Å; D232-A234 PolarHBondContact O-N 3.21Å; A234-S238 PolarHBondContact O-N 2.79Å
235	Y	73.3	Confident	73.6	Confident	33 Å²	33	65.3 Å²	65.3	13%	0.129	34%	0.336	C	S	.	.	H	α-helix	trans	-62.7	-57.6	175.6	174.9	-100	0	0	0	110.5	D232 E233 S237 S238 Y239 E353 R528	D232-Y235 WeakPolarHBondContact O-CB 3.18Å; D232-Y235 PolarHBondContact O-N 2.61Å; E233-Y235 VanDerWaalsContact C-N 3.28Å; E233-Y235 PolarHBondContact O-N 2.86Å; Y235-S237 VanDerWaalsContact C-N 3.32Å; Y235-S237 PolarHBondContact O-N 2.82Å; Y235-S238 PolarHBondContact O-N 3.11Å; Y235-S238 PolarHBondContact O-OG 2.78Å; Y235-Y239 HydrophobicContact CD2-CE2 4.31Å; Y235-Y239 HydrophobicContact CE1-CD2 4.34Å; Y235-Y239 HydrophobicContact CE1-CE2 4.38Å; Y235-Y239 HydrophobicContact CE2-CD2 4.21Å; Y235-Y239 AromaticContact CE2-CE2 3.61Å; Y235-Y239 HydrophobicContact CE2-CE2 3.61Å; Y235-Y239 AromaticContact CZ-CE2 3.65Å; Y235-E353 HydrophobicContact CD2-CG 4.38Å; Y235-E353 HydrophobicContact CE2-CB 3.81Å; Y235-E353 HydrophobicContact CE2-CG 3.73Å; Y235-E353 WeakPolarHBondContact CE2-OE2 3.49Å; Y235-E353 PolarHBondContact OH-OE2 3.43Å; Y235-R528 VanDerWaalsContact CD1-CZ 3.48Å; Y235-R528 VanDerWaalsContact CE1-NH1 3.34Å
236	F	74.4	Confident	74.8	Confident	36 Å²	36	68.5 Å²	68.5	16%	0.158	35%	0.347	C	S	.	.	H	α-helix	trans	-69	-27.6	-177.6	-62.8	-63.5	0	0	0	114	D232 E233 Y239 G240 Q301 S302 R327	D232-F236 HydrophobicContact CB-CD2 4.32Å; D232-F236 HydrophobicContact CB-CE2 3.99Å; D232-F236 VanDerWaalsContact O-CD2 3.26Å; D232-F236 WeakPolarHBondContact O-CD2 3.49Å; D232-F236 PolarHBondContact O-N 2.88Å; D232-F236 WeakPolarHBondContact OD2-CE2 3.47Å; E233-F236 PolarHBondContact O-N 3.08Å; F236-Y239 PolarHBondContact O-N 3.34Å; F236-G240 PolarHBondContact O-N 3.4Å; F236-G240 VanDerWaalsContact O-N 3.14Å; F236-Q301 HydrophobicContact CB-CG 4.19Å; F236-Q301 HydrophobicContact CD1-CB 3.65Å; F236-Q301 HydrophobicContact CD1-CG 3.92Å; F236-Q301 HydrophobicContact CD2-CB 4.16Å; F236-Q301 HydrophobicContact CD2-CG 3.51Å; F236-Q301 HydrophobicContact CE1-CB 3.66Å; F236-Q301 HydrophobicContact CE1-CG 4.14Å; F236-Q301 HydrophobicContact CE2-CB 4.16Å; F236-Q301 HydrophobicContact CE2-CG 3.74Å; F236-Q301 HydrophobicContact CG-CB 3.9Å; F236-Q301 HydrophobicContact CG-CG 3.6Å; F236-Q301 HydrophobicContact CZ-CB 3.92Å; F236-Q301 HydrophobicContact CZ-CG 4.05Å; F236-S302 WeakPolarHBondContact O-CB 3.31Å; F236-R327 HydrophobicContact CE2-CG 3.98Å; F236-R327 HydrophobicContact CZ-CG 3.97Å
237	S	75.6	Confident	75.7	Confident	83 Å²	83	69.1 Å²	69.1	58%	0.58	35%	0.35	S	S	*	.	H	α-helix	trans	-62.7	-41.8	173.8	-175.8	0	0	0	0	111.4	E233 Y235 Y239 G240	E233-S237 WeakPolarHBondContact O-CB 3.44Å; E233-S237 PolarHBondContact O-N 2.83Å; Y235-S237 VanDerWaalsContact C-N 3.32Å; Y235-S237 PolarHBondContact O-N 2.82Å; S237-Y239 VanDerWaalsContact C-N 3.34Å; S237-Y239 PolarHBondContact O-N 2.74Å; S237-G240 WeakPolarHBondContact O-CA 3.43Å; S237-G240 PolarHBondContact O-N 2.88Å
238	S	74.1	Confident	76.7	Confident	49 Å²	49	69 Å²	69	34%	0.343	35%	0.349	S	S	.	.	H	α-helix	trans	-59.2	-44	175.6	77.3	0	0	0	0	112.1	A234 Y235 G240 H241 I244	A234-S238 PolarHBondContact O-N 2.79Å; Y235-S238 PolarHBondContact O-N 3.11Å; Y235-S238 PolarHBondContact O-OG 2.78Å; S238-G240 PolarHBondContact O-N 2.76Å; S238-H241 WeakPolarHBondContact O-CB 3.36Å; S238-H241 PolarHBondContact O-N 2.69Å; S238-I244 VanDerWaalsContact O-CD1 3.28Å; S238-I244 WeakPolarHBondContact O-CD1 3.2Å
239	Y	78.1	Confident	78	Confident	47 Å²	47	66.2 Å²	66.2	18%	0.184	34%	0.343	C	S	.	.	H	α-helix	trans	-71.1	-10	175.2	-77.9	-82.4	0	0	0	114.3	Y235 F236 S237 H241 I244 H245 M248 E353	Y235-Y239 HydrophobicContact CD2-CE2 4.31Å; Y235-Y239 HydrophobicContact CE1-CD2 4.34Å; Y235-Y239 HydrophobicContact CE1-CE2 4.38Å; Y235-Y239 HydrophobicContact CE2-CD2 4.21Å; Y235-Y239 AromaticContact CE2-CE2 3.61Å; Y235-Y239 HydrophobicContact CE2-CE2 3.61Å; Y235-Y239 AromaticContact CZ-CE2 3.65Å; F236-Y239 PolarHBondContact O-N 3.34Å; S237-Y239 VanDerWaalsContact C-N 3.34Å; S237-Y239 PolarHBondContact O-N 2.74Å; Y239-H241 PolarHBondContact O-N 3.45Å; Y239-I244 HydrophobicContact CD1-CG2 4.34Å; Y239-I244 HydrophobicContact CE1-CG2 3.96Å; Y239-H245 PolarHBondContact O-CD2 2.93Å; Y239-H245 PolarHBondContact O-NE2 3.1Å; Y239-M248 HydrophobicContact CD1-CE 4.24Å; Y239-M248 HydrophobicContact CE1-CE 3.99Å; Y239-M248 HydrophobicContact CE1-SD 4.35Å; Y239-E353 PolarHBondContact OH-OE2 3.1Å; Y239-E353 VanDerWaalsContact OH-OE2 3.06Å
240	G	73.1	Confident	79.8	Confident	25 Å²	25	67.1 Å²	67.1	26%	0.258	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-21.5	165.3	0	0	0	0	0	113.3	F236 S237 S238	F236-G240 PolarHBondContact O-N 3.4Å; F236-G240 VanDerWaalsContact O-N 3.14Å; S237-G240 WeakPolarHBondContact O-CA 3.43Å; S237-G240 PolarHBondContact O-N 2.88Å; S238-G240 PolarHBondContact O-N 2.76Å
241	H	81	Confident	81.8	Confident	103 Å²	103	63.2 Å²	63.2	48%	0.477	33%	0.325	S	S	.	.	S	Bend	trans	-86.3	128.7	-177.2	-168.1	-102.1	0	0	0	112.9	S238 Y239 G243 I244	S238-H241 WeakPolarHBondContact O-CB 3.36Å; S238-H241 PolarHBondContact O-N 2.69Å; Y239-H241 PolarHBondContact O-N 3.45Å; H241-G243 PolarHBondContact ND1-N 3.44Å; H241-G243 PolarHBondContact O-N 2.81Å; H241-G243 VanDerWaalsContact O-N 3.1Å; H241-I244 PolarHBondContact O-N 3.3Å
242	Y	80.8	Confident	83.4	Confident	157 Å²	157	65.4 Å²	65.4	62%	0.616	33%	0.333	S	S	*	.	H	α-helix	trans	-58.8	-28.4	-174.5	71.9	-87.1	0	0	0	114.2	I244 H245 E246	Y242-I244 VanDerWaalsContact C-N 3.34Å; Y242-I244 PolarHBondContact O-N 2.86Å; Y242-H245 PolarHBondContact O-N 3.45Å; Y242-E246 PolarHBondContact O-N 3.5Å
243	G	83.6	Confident	84.7	Confident	25 Å²	25	66.9 Å²	66.9	26%	0.258	34%	0.342	S	S	.	.	H	α-helix	trans	-61.3	-36.7	-175.3	0	0	0	0	0	114.1	H241 E246 E247	H241-G243 PolarHBondContact ND1-N 3.44Å; H241-G243 PolarHBondContact O-N 2.81Å; H241-G243 VanDerWaalsContact O-N 3.1Å; G243-E246 PolarHBondContact O-N 3.16Å; G243-E247 PolarHBondContact O-N 2.85Å
244	I	85.4	Confident	85.9	Confident	56 Å²	56	61.2 Å²	61.2	29%	0.287	32%	0.315	S	S	.	.	H	α-helix	trans	-67.2	-44	176.8	-49.4	-173.8	0	0	0	109.6	S238 Y239 H241 Y242 E246 E247 M248	S238-I244 VanDerWaalsContact O-CD1 3.28Å; S238-I244 WeakPolarHBondContact O-CD1 3.2Å; Y239-I244 HydrophobicContact CD1-CG2 4.34Å; Y239-I244 HydrophobicContact CE1-CG2 3.96Å; H241-I244 PolarHBondContact O-N 3.3Å; Y242-I244 VanDerWaalsContact C-N 3.34Å; Y242-I244 PolarHBondContact O-N 2.86Å; I244-E246 VanDerWaalsContact C-N 3.28Å; I244-E246 PolarHBondContact O-N 2.82Å; I244-E247 PolarHBondContact O-N 2.64Å; I244-M248 HydrophobicContact CG2-CE 4.14Å; I244-M248 WeakPolarHBondContact O-CB 3.35Å; I244-M248 WeakPolarHBondContact O-CG 3.14Å; I244-M248 PolarHBondContact O-N 3.35Å
245	H	90.5	Very high	87.3	Confident	8 Å²	8	59.4 Å²	59.4	4%	0.037	30%	0.298	C	S	.	.	H	α-helix	trans	-63.4	-33.6	174.7	-64.3	-84.4	0	0	0	112.4	Y239 Y242 M248 L249 T281	Y239-H245 PolarHBondContact O-CD2 2.93Å; Y239-H245 PolarHBondContact O-NE2 3.1Å; Y242-H245 PolarHBondContact O-N 3.45Å; H245-M248 HydrophobicContact CB-CE 4.4Å; H245-M248 WeakPolarHBondContact ND1-CE 3.26Å; H245-L249 VanDerWaalsContact O-CB 3.23Å; H245-L249 WeakPolarHBondContact O-CB 3.34Å; H245-L249 WeakPolarHBondContact O-CD1 3.44Å; H245-L249 WeakPolarHBondContact O-CG 3.42Å; H245-L249 PolarHBondContact O-N 3.17Å; H245-T281 HydrophobicContact CB-CG2 3.9Å
246	E	92.8	Very high	88.5	Confident	89 Å²	89	61.3 Å²	61.3	42%	0.416	31%	0.309	S	S	.	.	H	α-helix	trans	-68.2	-42.2	175.6	-166.8	-178.6	-175	0	0	112.3	Y242 G243 I244 L249 K250	Y242-E246 PolarHBondContact O-N 3.5Å; G243-E246 PolarHBondContact O-N 3.16Å; I244-E246 VanDerWaalsContact C-N 3.28Å; I244-E246 PolarHBondContact O-N 2.82Å; E246-L249 PolarHBondContact O-N 3.47Å; E246-K250 HydrophobicContact CG-CD 4.11Å; E246-K250 WeakPolarHBondContact O-CB 3.33Å; E246-K250 VanDerWaalsContact O-CG 3.23Å; E246-K250 WeakPolarHBondContact O-CG 3.38Å; E246-K250 PolarHBondContact O-N 2.88Å; E246-K250 WeakPolarHBondContact OE1-CE 3.26Å; E246-K250 IonicContact OE1-NZ 2.64Å; E246-K250 PolarHBondContact OE1-NZ 2.7Å; E246-K250 IonicContact OE2-NZ 3.82Å
247	E	92.1	Very high	89.6	Confident	92 Å²	92	60.4 Å²	60.4	43%	0.43	31%	0.306	S	S	.	.	H	α-helix	trans	-63.5	-48.7	172.4	-174.1	171	-164.8	0	0	110.9	G243 I244 L249 K250 D251 H494 K496	G243-E247 PolarHBondContact O-N 2.85Å; I244-E247 PolarHBondContact O-N 2.64Å; E247-L249 VanDerWaalsContact C-N 3.29Å; E247-L249 PolarHBondContact O-N 2.89Å; E247-K250 PolarHBondContact O-N 3.28Å; E247-K250 VanDerWaalsContact O-N 3.15Å; E247-D251 PolarHBondContact O-N 3.3Å; E247-H494 HydrophobicContact CG-CB 3.72Å; E247-K496 IonicContact OE1-NZ 2.76Å
248	M	93.3	Very high	90.7	Very high	19 Å²	19	56.5 Å²	56.5	9%	0.094	28%	0.279	C	S	.	.	H	α-helix	trans	-57.8	-35.6	177.1	-78.7	-163.1	-64.1	0	0	113.7	Y239 I244 H245 R254 T255	Y239-M248 HydrophobicContact CD1-CE 4.24Å; Y239-M248 HydrophobicContact CE1-CE 3.99Å; Y239-M248 HydrophobicContact CE1-SD 4.35Å; I244-M248 HydrophobicContact CG2-CE 4.14Å; I244-M248 WeakPolarHBondContact O-CB 3.35Å; I244-M248 WeakPolarHBondContact O-CG 3.14Å; I244-M248 PolarHBondContact O-N 3.35Å; H245-M248 HydrophobicContact CB-CE 4.4Å; H245-M248 WeakPolarHBondContact ND1-CE 3.26Å; M248-R254 VanDerWaalsContact O-CZ 3.28Å; M248-R254 PolarHBondContact O-NE 2.9Å; M248-R254 PolarHBondContact O-NH2 3.01Å; M248-T255 PolarHBondContact O-OG1 2.88Å; M248-T255 VanDerWaalsContact O-OG1 3.04Å
249	L	96.6	Very high	91.9	Very high	69 Å²	69	57.3 Å²	57.3	36%	0.361	28%	0.275	S	S	.	.	H	α-helix	trans	-82.8	-28	177.2	-72.3	168.9	0	0	0	113	H245 E246 E247 D251 T281 I283	H245-L249 VanDerWaalsContact O-CB 3.23Å; H245-L249 WeakPolarHBondContact O-CB 3.34Å; H245-L249 WeakPolarHBondContact O-CD1 3.44Å; H245-L249 WeakPolarHBondContact O-CG 3.42Å; H245-L249 PolarHBondContact O-N 3.17Å; E246-L249 PolarHBondContact O-N 3.47Å; E247-L249 VanDerWaalsContact C-N 3.29Å; E247-L249 PolarHBondContact O-N 2.89Å; L249-D251 VanDerWaalsContact C-N 3.33Å; L249-T281 HydrophobicContact CD1-CG2 4.5Å; L249-I283 HydrophobicContact CD2-CB 3.96Å; L249-I283 HydrophobicContact CD2-CG1 3.85Å; L249-I283 HydrophobicContact CD2-CG2 3.93Å
250	K	97.1	Very high	92.9	Very high	140 Å²	140	57 Å²	57	61%	0.609	28%	0.276	S	S	*	.	H	α-helix	trans	-73.6	-24.3	171.1	-76	171.3	-177.2	167.9	0	112.2	E246 E247 K252	E246-K250 HydrophobicContact CG-CD 4.11Å; E246-K250 WeakPolarHBondContact O-CB 3.33Å; E246-K250 VanDerWaalsContact O-CG 3.23Å; E246-K250 WeakPolarHBondContact O-CG 3.38Å; E246-K250 PolarHBondContact O-N 2.88Å; E246-K250 WeakPolarHBondContact OE1-CE 3.26Å; E246-K250 IonicContact OE1-NZ 2.64Å; E246-K250 PolarHBondContact OE1-NZ 2.7Å; E246-K250 IonicContact OE2-NZ 3.82Å; E247-K250 PolarHBondContact O-N 3.28Å; E247-K250 VanDerWaalsContact O-N 3.15Å; K250-K252 PolarHBondContact O-N 3.15Å
251	D	97.9	Very high	94.1	Very high	12 Å²	12	55.8 Å²	55.8	6%	0.064	26%	0.264	C	S	.	.			trans	-66.2	94.7	168.2	-167.8	-26.1	0	0	0	110.7	E247 L249 V253 R254 T255 T493 H494	E247-D251 PolarHBondContact O-N 3.3Å; L249-D251 VanDerWaalsContact C-N 3.33Å; D251-V253 PolarHBondContact OD1-N 3.47Å; D251-R254 HydrophobicContact CB-CB 4.05Å; D251-R254 PolarHBondContact OD1-N 3.38Å; D251-T255 VanDerWaalsContact O-CB 3.24Å; D251-T255 WeakPolarHBondContact O-CB 3.43Å; D251-T255 PolarHBondContact O-N 2.84Å; D251-T255 PolarHBondContact O-OG1 2.88Å; D251-T493 VanDerWaalsContact OD2-CA 3.24Å; D251-T493 WeakPolarHBondContact OD2-CA 3.2Å; D251-T493 VanDerWaalsContact OD2-CB 3.24Å; D251-T493 WeakPolarHBondContact OD2-CB 3.25Å; D251-H494 IonicContact OD2-CE1 2.82Å; D251-H494 IonicContact OD2-CG 2.66Å; D251-H494 PolarHBondContact OD2-N 3.41Å; D251-H494 IonicContact OD2-ND1 3.15Å; D251-H494 PolarHBondContact OD2-ND1 3.12Å
252	K	98.3	Very high	94.9	Very high	141 Å²	141	50.9 Å²	50.9	61%	0.613	24%	0.241	S	C	*	.	H	α-helix	trans	-69.4	-35.6	175.4	-72.1	-172.6	176.9	-170.7	0	112.8	K250 R254 T255 E256	K250-K252 PolarHBondContact O-N 3.15Å; K252-R254 VanDerWaalsContact C-N 3.3Å; K252-R254 PolarHBondContact O-N 2.64Å; K252-T255 PolarHBondContact O-N 2.93Å; K252-E256 HydrophobicContact CB-CG 4.15Å; K252-E256 WeakPolarHBondContact O-CA 3.49Å; K252-E256 WeakPolarHBondContact O-CB 3.42Å; K252-E256 WeakPolarHBondContact O-CG 3.29Å; K252-E256 PolarHBondContact O-N 3.3Å
253	V	98.4	Very high	95.8	Very high	34 Å²	34	47.5 Å²	47.5	21%	0.206	23%	0.228	C	C	.	.	H	α-helix	trans	-63.2	-44	-177.9	175.2	0	0	0	0	109.2	D251 S257 F484 T491 T493	D251-V253 PolarHBondContact OD1-N 3.47Å; V253-S257 VanDerWaalsContact O-CB 3.23Å; V253-S257 WeakPolarHBondContact O-CB 3.5Å; V253-S257 PolarHBondContact O-N 2.71Å; V253-S257 PolarHBondContact O-OG 2.86Å; V253-F484 HydrophobicContact CG1-CB 3.76Å; V253-F484 HydrophobicContact CG1-CD2 4.11Å; V253-F484 HydrophobicContact CG1-CG 4.15Å; V253-T491 HydrophobicContact CG2-CG2 3.71Å; V253-T493 HydrophobicContact CB-CG2 3.92Å; V253-T493 HydrophobicContact CG1-CG2 3.81Å
254	R	98.4	Very high	96.4	Very high	15 Å²	15	50.9 Å²	50.9	6%	0.057	24%	0.235	C	C	.	.	H	α-helix	trans	-61.7	-66.7	168.3	-177.8	-172.7	95.1	109.4	13.3	111.8	M248 D251 K252 E256 S257 Y258 E344 W495	M248-R254 VanDerWaalsContact O-CZ 3.28Å; M248-R254 PolarHBondContact O-NE 2.9Å; M248-R254 PolarHBondContact O-NH2 3.01Å; D251-R254 HydrophobicContact CB-CB 4.05Å; D251-R254 PolarHBondContact OD1-N 3.38Å; K252-R254 VanDerWaalsContact C-N 3.3Å; K252-R254 PolarHBondContact O-N 2.64Å; R254-E256 PolarHBondContact O-N 3.44Å; R254-S257 PolarHBondContact O-N 2.83Å; R254-S257 VanDerWaalsContact O-N 3.15Å; R254-Y258 WeakPolarHBondContact O-CD2 3.26Å; R254-Y258 PolarHBondContact O-N 3.49Å; R254-E344 WeakPolarHBondContact CD-OE2 3.4Å; R254-E344 HydrophobicContact CG-CG 4.32Å; R254-E344 IonicContact CZ-OE2 2.74Å; R254-E344 IonicContact NE-OE2 2.88Å; R254-E344 IonicContact NH1-OE2 3.04Å; R254-E344 PolarHBondContact NH1-OE2 3.05Å; R254-W495 HydrophobicContact CB-CH2 4.09Å; R254-W495 HydrophobicContact CB-CZ3 3.94Å; R254-W495 HydrophobicContact CG-CH2 3.63Å; R254-W495 HydrophobicContact CG-CZ3 4.02Å
255	T	98.4	Very high	97	Very high	15 Å²	15	48.2 Å²	48.2	9%	0.092	22%	0.222	C	C	.	.	H	α-helix	trans	-68.6	-36.2	-163.7	-54.4	0	0	0	0	112.7	M248 D251 K252 R259 I283 F287	M248-T255 PolarHBondContact O-OG1 2.88Å; M248-T255 VanDerWaalsContact O-OG1 3.04Å; D251-T255 VanDerWaalsContact O-CB 3.24Å; D251-T255 WeakPolarHBondContact O-CB 3.43Å; D251-T255 PolarHBondContact O-N 2.84Å; D251-T255 PolarHBondContact O-OG1 2.88Å; K252-T255 PolarHBondContact O-N 2.93Å; T255-R259 WeakPolarHBondContact O-CB 3.35Å; T255-R259 PolarHBondContact O-N 3.08Å; T255-I283 HydrophobicContact CG2-CG1 4.24Å; T255-F287 HydrophobicContact CG2-CE2 3.98Å; T255-F287 HydrophobicContact CG2-CZ 4.07Å
256	E	98.6	Very high	97.3	Very high	73 Å²	73	49.6 Å²	49.6	34%	0.341	23%	0.231	S	C	.	.	H	α-helix	trans	-74.6	-28.4	175.9	-57.6	-161.6	91.5	0	0	112.4	K252 R254 R259 D260	K252-E256 HydrophobicContact CB-CG 4.15Å; K252-E256 WeakPolarHBondContact O-CA 3.49Å; K252-E256 WeakPolarHBondContact O-CB 3.42Å; K252-E256 WeakPolarHBondContact O-CG 3.29Å; K252-E256 PolarHBondContact O-N 3.3Å; R254-E256 PolarHBondContact O-N 3.44Å; E256-R259 IonicContact OE1-CZ 2.69Å; E256-R259 IonicContact OE1-NH1 3.51Å; E256-R259 PolarHBondContact OE1-NH1 2.82Å; E256-R259 IonicContact OE1-NH2 2.78Å; E256-R259 PolarHBondContact OE1-NH2 2.71Å; E256-D260 WeakPolarHBondContact O-CB 2.79Å; E256-D260 PolarHBondContact O-N 2.71Å
257	S	98.6	Very high	97.5	Very high	16 Å²	16	49.3 Å²	49.3	11%	0.112	23%	0.23	C	C	.	.	H	α-helix	trans	-66.5	-47.2	175.6	-66.6	0	0	0	0	112.1	V253 R254 D260 F261	V253-S257 VanDerWaalsContact O-CB 3.23Å; V253-S257 WeakPolarHBondContact O-CB 3.5Å; V253-S257 PolarHBondContact O-N 2.71Å; V253-S257 PolarHBondContact O-OG 2.86Å; R254-S257 PolarHBondContact O-N 2.83Å; R254-S257 VanDerWaalsContact O-N 3.15Å; S257-D260 PolarHBondContact O-N 3.09Å; S257-F261 WeakPolarHBondContact O-CB 3.49Å; S257-F261 PolarHBondContact O-N 3.47Å
258	Y	98.8	Very high	97.7	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	22%	0.215	C	C	.	.	H	α-helix	trans	-60.4	-46	174.4	-84	-98	0	0	0	111.8	R254 D260 F261 M262 L284 I342 S343 E344 M346 P375 F474 F484	R254-Y258 WeakPolarHBondContact O-CD2 3.26Å; R254-Y258 PolarHBondContact O-N 3.49Å; Y258-D260 PolarHBondContact O-N 2.84Å; Y258-F261 PolarHBondContact O-N 2.89Å; Y258-M262 HydrophobicContact CD1-CE 4.49Å; Y258-M262 WeakPolarHBondContact O-CG 3.46Å; Y258-M262 PolarHBondContact O-N 3.23Å; Y258-M262 VanDerWaalsContact O-N 3.17Å; Y258-L284 HydrophobicContact CD1-CD1 3.64Å; Y258-L284 HydrophobicContact CD1-CD2 3.78Å; Y258-L284 HydrophobicContact CD1-CG 4.35Å; Y258-L284 HydrophobicContact CE1-CD1 3.72Å; Y258-L284 HydrophobicContact CG-CD1 4.29Å; Y258-L284 HydrophobicContact CG-CD2 3.74Å; Y258-I342 HydrophobicContact CD1-CD1 3.76Å; Y258-I342 HydrophobicContact CD1-CG1 4Å; Y258-I342 HydrophobicContact CE1-CD1 3.74Å; Y258-I342 HydrophobicContact CE1-CG1 3.96Å; Y258-S343 WeakPolarHBondContact CE1-O 3.43Å; Y258-S343 PolarHBondContact OH-O 3.37Å; Y258-E344 HydrophobicContact CE2-CB 4.45Å; Y258-E344 HydrophobicContact CE2-CG 3.78Å; Y258-E344 WeakPolarHBondContact OH-CA 3.4Å; Y258-M346 HydrophobicContact CE2-CE 4.27Å; Y258-M346 WeakPolarHBondContact OH-CE 3.24Å; Y258-P375 VanDerWaalsContact OH-CD 3.26Å; Y258-P375 WeakPolarHBondContact OH-CD 3.3Å; Y258-F474 HydrophobicContact CD1-CE1 4.11Å; Y258-F474 HydrophobicContact CD1-CZ 4.06Å; Y258-F474 HydrophobicContact CD2-CZ 4.02Å; Y258-F474 HydrophobicContact CE1-CE1 4.02Å; Y258-F474 AromaticContact CE1-CZ 3.96Å; Y258-F474 HydrophobicContact CE1-CZ 3.96Å; Y258-F474 AromaticContact CE2-CZ 3.91Å; Y258-F474 HydrophobicContact CE2-CZ 3.91Å; Y258-F474 HydrophobicContact CG-CZ 4.09Å; Y258-F474 AromaticContact CZ-CZ 3.88Å; Y258-F484 HydrophobicContact CE2-CE1 4.38Å
259	R	98.7	Very high	97.9	Very high	67 Å²	67	44.9 Å²	44.9	25%	0.253	21%	0.21	S	C	.	.	H	α-helix	trans	-56.3	-51.5	175.2	-177.4	-163.3	67.8	-155.2	-3.4	111.6	T255 E256 M262 Y263 F287	T255-R259 WeakPolarHBondContact O-CB 3.35Å; T255-R259 PolarHBondContact O-N 3.08Å; E256-R259 IonicContact OE1-CZ 2.69Å; E256-R259 IonicContact OE1-NH1 3.51Å; E256-R259 PolarHBondContact OE1-NH1 2.82Å; E256-R259 IonicContact OE1-NH2 2.78Å; E256-R259 PolarHBondContact OE1-NH2 2.71Å; R259-M262 PolarHBondContact O-N 3.2Å; R259-Y263 HydrophobicContact CG-CD2 3.6Å; R259-Y263 HydrophobicContact CG-CE2 3.47Å; R259-Y263 VanDerWaalsContact CG-CE2 3.47Å; R259-Y263 HydrophobicContact CG-CG 4.23Å; R259-Y263 WeakPolarHBondContact O-CB 3.34Å; R259-Y263 PolarHBondContact O-N 3.23Å; R259-F287 HydrophobicContact CB-CD1 4.36Å; R259-F287 HydrophobicContact CB-CD2 3.79Å; R259-F287 HydrophobicContact CB-CE1 4.21Å; R259-F287 HydrophobicContact CB-CE2 3.62Å; R259-F287 HydrophobicContact CB-CG 4.17Å; R259-F287 HydrophobicContact CB-CZ 3.84Å; R259-F287 HydrophobicContact CG-CD1 4.05Å; R259-F287 HydrophobicContact CG-CD2 4.36Å; R259-F287 HydrophobicContact CG-CE1 3.96Å; R259-F287 HydrophobicContact CG-CE2 4.28Å; R259-F287 HydrophobicContact CG-CG 4.26Å; R259-F287 HydrophobicContact CG-CZ 4.08Å
260	D	98.4	Very high	98	Very high	39 Å²	39	48.2 Å²	48.2	21%	0.209	22%	0.218	C	C	.	.	H	α-helix	trans	-68.4	-36	-174.8	-84.1	28.9	0	0	0	111.5	E256 S257 Y258 K264	E256-D260 WeakPolarHBondContact O-CB 2.79Å; E256-D260 PolarHBondContact O-N 2.71Å; S257-D260 PolarHBondContact O-N 3.09Å; Y258-D260 PolarHBondContact O-N 2.84Å; D260-K264 HydrophobicContact CB-CD 4.15Å; D260-K264 WeakPolarHBondContact O-CB 3.01Å; D260-K264 WeakPolarHBondContact O-CD 3.34Å; D260-K264 WeakPolarHBondContact O-CG 3.42Å; D260-K264 PolarHBondContact O-N 3.06Å; D260-K264 WeakPolarHBondContact OD2-CE 3.5Å; D260-K264 IonicContact OD2-NZ 3.36Å; D260-K264 PolarHBondContact OD2-NZ 2.83Å
261	F	98.3	Very high	98.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-55.2	-53	170	154	-121.6	0	0	0	110.9	S257 Y258 N265 F269 I342 Y374 F474 C478 V482	S257-F261 WeakPolarHBondContact O-CB 3.49Å; S257-F261 PolarHBondContact O-N 3.47Å; Y258-F261 PolarHBondContact O-N 2.89Å; F261-N265 WeakPolarHBondContact O-CB 3.33Å; F261-N265 PolarHBondContact O-N 2.74Å; F261-N265 VanDerWaalsContact O-N 3.16Å; F261-N265 PolarHBondContact O-ND2 3.29Å; F261-F269 HydrophobicContact CD1-CZ 4.47Å; F261-F269 AromaticContact CE1-CE2 3.86Å; F261-F269 HydrophobicContact CE1-CE2 3.86Å; F261-F269 AromaticContact CE1-CZ 3.56Å; F261-F269 HydrophobicContact CE1-CZ 3.56Å; F261-F269 HydrophobicContact CE2-CE2 4.12Å; F261-F269 AromaticContact CZ-CE2 3.6Å; F261-F269 HydrophobicContact CZ-CE2 3.6Å; F261-F269 AromaticContact CZ-CZ 3.58Å; F261-F269 HydrophobicContact CZ-CZ 3.58Å; F261-I342 HydrophobicContact CD1-CD1 4.42Å; F261-I342 HydrophobicContact CE1-CD1 3.85Å; F261-Y374 HydrophobicContact CE1-CD1 4.27Å; F261-Y374 HydrophobicContact CE1-CD2 4.22Å; F261-Y374 AromaticContact CE1-CG 3.83Å; F261-Y374 HydrophobicContact CE1-CG 3.83Å; F261-Y374 AromaticContact CE2-CD1 3.95Å; F261-Y374 HydrophobicContact CE2-CD1 3.95Å; F261-Y374 HydrophobicContact CE2-CE1 4.05Å; F261-Y374 HydrophobicContact CE2-CG 4.25Å; F261-Y374 AromaticContact CZ-CD1 3.51Å; F261-Y374 HydrophobicContact CZ-CD1 3.51Å; F261-Y374 AromaticContact CZ-CD2 3.61Å; F261-Y374 HydrophobicContact CZ-CD2 3.61Å; F261-Y374 AromaticContact CZ-CE1 3.9Å; F261-Y374 HydrophobicContact CZ-CE1 3.9Å; F261-Y374 AromaticContact CZ-CE2 3.98Å; F261-Y374 HydrophobicContact CZ-CE2 3.98Å; F261-Y374 AromaticContact CZ-CG 3.35Å; F261-Y374 HydrophobicContact CZ-CG 3.35Å; F261-F474 HydrophobicContact CB-CB 4.14Å; F261-F474 HydrophobicContact CB-CD1 4.06Å; F261-F474 HydrophobicContact CB-CD2 4.41Å; F261-F474 HydrophobicContact CB-CG 3.96Å; F261-F474 AromaticContact CD1-CD1 3.33Å; F261-F474 HydrophobicContact CD1-CD1 3.33Å; F261-F474 AromaticContact CD1-CE1 3.68Å; F261-F474 HydrophobicContact CD1-CE1 3.68Å; F261-F474 HydrophobicContact CD1-CG 4.08Å; F261-F474 HydrophobicContact CD2-CB 3.6Å; F261-F474 AromaticContact CD2-CD1 3.95Å; F261-F474 HydrophobicContact CD2-CD1 3.95Å; F261-F474 HydrophobicContact CD2-CG 4.05Å; F261-F474 AromaticContact CE1-CD1 3.65Å; F261-F474 HydrophobicContact CE1-CD1 3.65Å; F261-F474 HydrophobicContact CE1-CE1 4.07Å; F261-F474 HydrophobicContact CE2-CB 4.13Å; F261-F474 HydrophobicContact CE2-CD1 4.24Å; F261-F474 HydrophobicContact CG-CB 3.83Å; F261-F474 AromaticContact CG-CD1 3.49Å; F261-F474 HydrophobicContact CG-CD1 3.49Å; F261-F474 VanDerWaalsContact CG-CD1 3.49Å; F261-F474 HydrophobicContact CG-CE1 4.2Å; F261-F474 AromaticContact CG-CG 3.76Å; F261-F474 HydrophobicContact CG-CG 3.76Å; F261-F474 HydrophobicContact CZ-CD1 4.1Å; F261-C478 VanDerWaalsContact CE2-SG 3.59Å; F261-V482 HydrophobicContact CB-CB 4.15Å; F261-V482 HydrophobicContact CB-CG2 4.19Å
262	M	98.5	Very high	98.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-67.3	-43.2	-178.9	-61	-179.7	-167.7	0	0	112.7	Y258 R259 N265 F269 L284 F287 A288 A291 I342	Y258-M262 HydrophobicContact CD1-CE 4.49Å; Y258-M262 WeakPolarHBondContact O-CG 3.46Å; Y258-M262 PolarHBondContact O-N 3.23Å; Y258-M262 VanDerWaalsContact O-N 3.17Å; R259-M262 PolarHBondContact O-N 3.2Å; M262-N265 CarbonylContact O-C 3.6Å; M262-N265 PolarHBondContact O-N 3.23Å; M262-F269 HydrophobicContact CB-CD2 4.26Å; M262-F269 HydrophobicContact CB-CE2 4.07Å; M262-F269 HydrophobicContact CB-CZ 4.45Å; M262-F269 HydrophobicContact CG-CD2 4.33Å; M262-F269 HydrophobicContact CG-CE1 4.17Å; M262-F269 HydrophobicContact CG-CE2 3.74Å; M262-F269 HydrophobicContact CG-CZ 3.66Å; M262-F269 HydrophobicContact SD-CE1 4.46Å; M262-F269 HydrophobicContact SD-CZ 4.47Å; M262-L284 HydrophobicContact CE-CB 4.4Å; M262-F287 VanDerWaalsContact SD-C 3.58Å; M262-F287 HydrophobicContact SD-CB 3.43Å; M262-F287 WeakPolarHBondContact SD-CB 3.27Å; M262-A288 HydrophobicContact SD-CB 3.94Å; M262-A288 PolarHBondContact SD-N 3.17Å; M262-A291 HydrophobicContact CB-CB 3.98Å; M262-I342 HydrophobicContact CE-CB 4.41Å; M262-I342 HydrophobicContact CE-CD1 3.74Å; M262-I342 HydrophobicContact CE-CG1 3.58Å
263	Y	98.3	Very high	98.1	Very high	87 Å²	87	44.7 Å²	44.7	34%	0.341	21%	0.21	S	C	.	.	H	α-helix	trans	-77.5	-24.2	-176	-70.5	0	0	0	0	113.8	R259 F287 R290 A291	R259-Y263 HydrophobicContact CG-CD2 3.6Å; R259-Y263 HydrophobicContact CG-CE2 3.47Å; R259-Y263 VanDerWaalsContact CG-CE2 3.47Å; R259-Y263 HydrophobicContact CG-CG 4.23Å; R259-Y263 WeakPolarHBondContact O-CB 3.34Å; R259-Y263 PolarHBondContact O-N 3.23Å; Y263-F287 HydrophobicContact CE1-CB 4.3Å; Y263-R290 HydrophobicContact CE1-CB 3.83Å; Y263-R290 VanDerWaalsContact OH-CD 3.32Å; Y263-R290 WeakPolarHBondContact OH-CD 3.48Å; Y263-A291 HydrophobicContact CD1-CB 4.41Å
264	K	98	Very high	98.1	Very high	96 Å²	96	43 Å²	43	42%	0.417	20%	0.2	S	C	.	.	H	α-helix	trans	-90.3	-12	174.1	-62	168.8	-174	165.6	0	113.1	D260 N480	D260-K264 HydrophobicContact CB-CD 4.15Å; D260-K264 WeakPolarHBondContact O-CB 3.01Å; D260-K264 WeakPolarHBondContact O-CD 3.34Å; D260-K264 WeakPolarHBondContact O-CG 3.42Å; D260-K264 PolarHBondContact O-N 3.06Å; D260-K264 WeakPolarHBondContact OD2-CE 3.5Å; D260-K264 IonicContact OD2-NZ 3.36Å; D260-K264 PolarHBondContact OD2-NZ 2.83Å; K264-N480 HydrophobicContact CB-CB 3.74Å; K264-N480 PolarHBondContact O-ND2 3.07Å
265	N	97.6	Very high	98.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.197	C	C	.	.			trans	-126.9	50.3	175.9	-54.9	-81.9	0	0	0	112.3	F261 M262 E267 V268 C478 S479 N480	F261-N265 WeakPolarHBondContact O-CB 3.33Å; F261-N265 PolarHBondContact O-N 2.74Å; F261-N265 VanDerWaalsContact O-N 3.16Å; F261-N265 PolarHBondContact O-ND2 3.29Å; M262-N265 CarbonylContact O-C 3.6Å; M262-N265 PolarHBondContact O-N 3.23Å; N265-E267 VanDerWaalsContact C-OE2 3.24Å; N265-E267 WeakPolarHBondContact CA-OE2 3.38Å; N265-E267 PolarHBondContact O-N 3.34Å; N265-E267 VanDerWaalsContact O-N 3.1Å; N265-V268 HydrophobicContact CB-CB 4.42Å; N265-V268 HydrophobicContact CB-CG2 3.9Å; N265-V268 WeakPolarHBondContact O-CB 3.49Å; N265-V268 PolarHBondContact O-N 3.2Å; N265-C478 WeakPolarHBondContact OD1-CB 3.29Å; N265-S479 PolarHBondContact OD1-N 3.11Å; N265-N480 PolarHBondContact ND2-O 2.81Å; N265-N480 PolarHBondContact OD1-N 3.37Å; N265-N480 PolarHBondContact OD1-O 3.15Å
266	P	96.7	Very high	98.2	Very high	37 Å²	37	41.7 Å²	41.7	24%	0.24	19%	0.193	C	C	.	.	H	α-helix	trans	-63.4	-18.1	-177.4	29.9	-37.2	0	0	0	112.9	V268 F269 R270	P266-V268 PolarHBondContact O-N 3.36Å; P266-F269 PolarHBondContact O-N 3.34Å; P266-R270 VanDerWaalsContact O-CB 3.28Å; P266-R270 WeakPolarHBondContact O-CB 3.46Å; P266-R270 PolarHBondContact O-N 3.22Å
267	E	96.1	Very high	98.2	Very high	82 Å²	82	38.4 Å²	38.4	38%	0.383	18%	0.178	S	C	.	.	H	α-helix	trans	-65.5	-23.6	170.4	70.4	-79.7	-170.3	0	0	114	N265 S479	N265-E267 VanDerWaalsContact C-OE2 3.24Å; N265-E267 WeakPolarHBondContact CA-OE2 3.38Å; N265-E267 PolarHBondContact O-N 3.34Å; N265-E267 VanDerWaalsContact O-N 3.1Å; E267-S479 VanDerWaalsContact OE1-CB 3.23Å; E267-S479 WeakPolarHBondContact OE1-CB 3.42Å; E267-S479 PolarHBondContact OE1-OG 2.83Å
268	V	97	Very high	98.1	Very high	19 Å²	19	39 Å²	39	12%	0.115	19%	0.187	C	C	.	.	H	α-helix	trans	-73.1	-42.5	173.4	176.3	0	0	0	0	109.8	N265 P266 K272 I340 Y374	N265-V268 HydrophobicContact CB-CB 4.42Å; N265-V268 HydrophobicContact CB-CG2 3.9Å; N265-V268 WeakPolarHBondContact O-CB 3.49Å; N265-V268 PolarHBondContact O-N 3.2Å; P266-V268 PolarHBondContact O-N 3.36Å; V268-K272 WeakPolarHBondContact O-CG 3.44Å; V268-I340 HydrophobicContact CG1-CD1 3.86Å; V268-I340 WeakPolarHBondContact O-CD1 3.43Å; V268-Y374 HydrophobicContact CG1-CE2 4.09Å
269	F	98.1	Very high	98.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-90	-23.3	-172.4	-70.8	-87.5	0	0	0	114.9	F261 M262 P266 D271 K272 V274 A288 A291 A293 I340	F261-F269 HydrophobicContact CD1-CZ 4.47Å; F261-F269 AromaticContact CE1-CE2 3.86Å; F261-F269 HydrophobicContact CE1-CE2 3.86Å; F261-F269 AromaticContact CE1-CZ 3.56Å; F261-F269 HydrophobicContact CE1-CZ 3.56Å; F261-F269 HydrophobicContact CE2-CE2 4.12Å; F261-F269 AromaticContact CZ-CE2 3.6Å; F261-F269 HydrophobicContact CZ-CE2 3.6Å; F261-F269 AromaticContact CZ-CZ 3.58Å; F261-F269 HydrophobicContact CZ-CZ 3.58Å; M262-F269 HydrophobicContact CB-CD2 4.26Å; M262-F269 HydrophobicContact CB-CE2 4.07Å; M262-F269 HydrophobicContact CB-CZ 4.45Å; M262-F269 HydrophobicContact CG-CD2 4.33Å; M262-F269 HydrophobicContact CG-CE1 4.17Å; M262-F269 HydrophobicContact CG-CE2 3.74Å; M262-F269 HydrophobicContact CG-CZ 3.66Å; M262-F269 HydrophobicContact SD-CE1 4.46Å; M262-F269 HydrophobicContact SD-CZ 4.47Å; P266-F269 PolarHBondContact O-N 3.34Å; F269-D271 PolarHBondContact O-N 3.35Å; F269-K272 WeakPolarHBondContact O-CB 3.26Å; F269-K272 PolarHBondContact O-N 2.99Å; F269-K272 VanDerWaalsContact O-N 3.17Å; F269-V274 HydrophobicContact CD1-CG2 3.95Å; F269-V274 HydrophobicContact CE1-CG2 4.31Å; F269-A288 HydrophobicContact CD1-CB 4.25Å; F269-A288 HydrophobicContact CE1-CB 4.38Å; F269-A291 HydrophobicContact CB-CB 3.82Å; F269-A291 HydrophobicContact CD2-CB 4.38Å; F269-A291 HydrophobicContact CG-CB 4.08Å; F269-A293 VanDerWaalsContact O-CA 3.32Å; F269-A293 WeakPolarHBondContact O-CA 3.44Å; F269-A293 PolarHBondContact O-N 3.29Å; F269-I340 HydrophobicContact CD1-CD1 3.79Å; F269-I340 HydrophobicContact CE1-CD1 3.82Å; F269-I340 HydrophobicContact CE1-CG2 4.1Å; F269-I340 HydrophobicContact CG-CD1 4.25Å; F269-I340 HydrophobicContact CZ-CD1 4.3Å; F269-I340 HydrophobicContact CZ-CG2 4.49Å
270	R	98	Very high	98	Very high	139 Å²	139	36.4 Å²	36.4	53%	0.525	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	131.1	-173.4	-170.5	176.2	-57.5	132.8	14.4	112.6	P266 K272 G292	P266-R270 VanDerWaalsContact O-CB 3.28Å; P266-R270 WeakPolarHBondContact O-CB 3.46Å; P266-R270 PolarHBondContact O-N 3.22Å; R270-K272 PolarHBondContact O-N 3.38Å; R270-K272 VanDerWaalsContact O-N 3.09Å; R270-G292 WeakPolarHBondContact CA-O 3.49Å
271	D	98.1	Very high	98	Very high	119 Å²	119	35.4 Å²	35.4	64%	0.636	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.3	6.4	179.9	-65.4	-58.8	0	0	0	115.4	F269 G292 K294	F269-D271 PolarHBondContact O-N 3.35Å; D271-G292 PolarHBondContact N-O 3Å; D271-K294 VanDerWaalsContact C-CB 3.46Å; D271-K294 VanDerWaalsContact O-CB 3.3Å; D271-K294 WeakPolarHBondContact O-CB 3.42Å; D271-K294 WeakPolarHBondContact O-CD 3.14Å
272	K	98.6	Very high	98	Very high	73 Å²	73	35.4 Å²	35.4	32%	0.317	18%	0.175	S	C	.	.			trans	-84.8	157.5	-176.7	-61.4	-44.8	-141.2	156.2	0	114.7	V268 F269 R270 K294 K295 D339 I340	V268-K272 WeakPolarHBondContact O-CG 3.44Å; F269-K272 WeakPolarHBondContact O-CB 3.26Å; F269-K272 PolarHBondContact O-N 2.99Å; F269-K272 VanDerWaalsContact O-N 3.17Å; R270-K272 PolarHBondContact O-N 3.38Å; R270-K272 VanDerWaalsContact O-N 3.09Å; K272-K294 WeakPolarHBondContact O-CB 3.3Å; K272-K294 PolarHBondContact O-N 2.86Å; K272-K295 PolarHBondContact O-N 3.5Å; K272-D339 HydrophobicContact CB-CB 3.93Å; K272-D339 HydrophobicContact CD-CB 3.88Å; K272-D339 WeakPolarHBondContact CD-OD1 3.41Å; K272-D339 WeakPolarHBondContact CE-OD1 3.4Å; K272-D339 HydrophobicContact CG-CB 4.1Å; K272-D339 IonicContact NZ-OD1 3.13Å; K272-D339 PolarHBondContact NZ-OD1 2.95Å; K272-I340 HydrophobicContact CB-CD1 4.25Å; K272-I340 HydrophobicContact CG-CD1 4.16Å
273	V	98.8	Very high	98	Very high	26 Å²	26	36.9 Å²	36.9	16%	0.158	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	121.5	163.5	-173	0	0	0	0	109	K295 I297 V335 V338 D339 I340	V273-K295 WeakPolarHBondContact CA-O 3.39Å; V273-K295 HydrophobicContact CG1-CB 4.49Å; V273-I297 HydrophobicContact CG1-CD1 4.27Å; V273-V335 HydrophobicContact CG1-CG2 4.49Å; V273-V338 HydrophobicContact CG1-CB 4.3Å; V273-V338 HydrophobicContact CG1-CG1 3.85Å; V273-D339 PolarHBondContact N-OD2 3.09Å; V273-D339 PolarHBondContact O-N 3.12Å; V273-I340 PolarHBondContact O-N 2.88Å
274	V	98.9	Very high	98	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	139.4	-179.2	-175.4	0	0	0	0	109.7	F269 A288 A293 K295 V296 I297 I340 I342	F269-V274 HydrophobicContact CD1-CG2 3.95Å; F269-V274 HydrophobicContact CE1-CG2 4.31Å; V274-A288 HydrophobicContact CG1-CB 4.27Å; V274-A288 HydrophobicContact CG2-CB 4.42Å; V274-A293 HydrophobicContact CG2-CB 3.74Å; V274-K295 PolarHBondContact N-O 3.41Å; V274-V296 HydrophobicContact CB-CG1 4.25Å; V274-V296 HydrophobicContact CB-CG2 4.33Å; V274-V296 HydrophobicContact CG1-CG1 4.4Å; V274-V296 CarbonylContact O-C 3.57Å; V274-V296 WeakPolarHBondContact O-CA 3.26Å; V274-I297 PolarHBondContact O-N 3.04Å; V274-I340 CarbonylContact C-O 3.46Å; V274-I340 WeakPolarHBondContact CA-O 3.16Å; V274-I340 HydrophobicContact CG1-CB 4.4Å; V274-I340 HydrophobicContact CG1-CG2 4.21Å; V274-I340 HydrophobicContact CG2-CB 4.27Å; V274-I340 HydrophobicContact CG2-CD1 4.39Å; V274-I342 HydrophobicContact CG1-CG2 3.96Å
275	L	98.9	Very high	98.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130.5	164.3	179.6	65.4	0	0	0	109.2	V277 I297 V299 I328 L333 V338 I340 I341 I342 A362	L275-V277 HydrophobicContact CD2-CG2 3.71Å; L275-V277 HydrophobicContact CG-CG2 3.7Å; L275-I297 CarbonylContact C-O 3.6Å; L275-I297 WeakPolarHBondContact CA-O 3.23Å; L275-I297 HydrophobicContact CD1-CB 4.15Å; L275-I297 HydrophobicContact CD1-CG2 4.01Å; L275-V299 HydrophobicContact CD1-CG2 3.77Å; L275-I328 HydrophobicContact CD2-CD1 4.23Å; L275-L333 HydrophobicContact CD1-CD1 3.86Å; L275-L333 HydrophobicContact CD1-CD2 4.06Å; L275-L333 HydrophobicContact CD2-CD1 3.9Å; L275-L333 HydrophobicContact CG-CD1 4.45Å; L275-V338 HydrophobicContact CB-CB 4.43Å; L275-V338 HydrophobicContact CB-CG1 4.16Å; L275-V338 HydrophobicContact CB-CG2 3.93Å; L275-I340 PolarHBondContact N-O 3.34Å; L275-I341 HydrophobicContact CB-CG1 4.19Å; L275-I341 HydrophobicContact CD2-CG1 4.18Å; L275-I341 WeakPolarHBondContact O-CA 3.23Å; L275-I342 PolarHBondContact O-N 2.97Å; L275-A362 HydrophobicContact CD2-CB 4.04Å
276	D	98.9	Very high	98.1	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	105.1	175.4	-171.5	13.9	0	0	0	107.9	C279 S285 V296 I297 A298 V299 I342	D276-C279 HydrophobicContact CB-CB 4.17Å; D276-C279 WeakPolarHBondContact OD2-CB 3.13Å; D276-S285 VanDerWaalsContact CB-OG 3.23Å; D276-S285 WeakPolarHBondContact CB-OG 3.47Å; D276-S285 WeakPolarHBondContact OD2-CB 3.49Å; D276-S285 PolarHBondContact OD2-N 2.84Å; D276-S285 PolarHBondContact OD2-OG 3.18Å; D276-V296 HydrophobicContact CB-CG1 4.31Å; D276-I297 PolarHBondContact N-O 3Å; D276-A298 HydrophobicContact CB-CB 4.38Å; D276-V299 PolarHBondContact O-N 2.86Å; D276-I342 WeakPolarHBondContact CA-O 3.43Å; D276-I342 HydrophobicContact CB-CG2 3.79Å
277	V	98.6	Very high	98.2	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.03	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	119.7	-172.7	-175.2	0	0	0	0	109.8	L275 I328 I341 I342 S343 M355 V359 A362	L275-V277 HydrophobicContact CD2-CG2 3.71Å; L275-V277 HydrophobicContact CG-CG2 3.7Å; V277-I328 HydrophobicContact CG1-CB 4.39Å; V277-I328 HydrophobicContact CG1-CG2 4.18Å; V277-I341 HydrophobicContact CG2-CG2 4.05Å; V277-I342 PolarHBondContact N-O 2.95Å; V277-I342 VanDerWaalsContact N-O 3.08Å; V277-S343 WeakPolarHBondContact O-CB 3.44Å; V277-S343 PolarHBondContact O-OG 2.85Å; V277-M355 WeakPolarHBondContact O-CE 3.25Å; V277-V359 HydrophobicContact CG1-CG2 4.38Å; V277-A362 HydrophobicContact CG2-CB 3.89Å
278	G	97.1	Very high	98.3	Very high	29 Å²	29	24.7 Å²	24.7	30%	0.299	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	51.8	-168.3	0	0	0	0	0	110.9	G280 V299	G278-G280 PolarHBondContact O-N 3.34Å; G278-V299 VanDerWaalsContact CA-O 3.32Å; G278-V299 WeakPolarHBondContact CA-O 3.46Å; G278-V299 PolarHBondContact N-O 2.82Å
279	C	98	Very high	98.4	Very high	7 Å²	7	24.1 Å²	24.1	5%	0.047	13%	0.125	C	C	.	.			trans	-67.7	-17.8	-169	70.6	0	0	0	0	114.1	D276 T281 G282 A298 V299 D300	D276-C279 HydrophobicContact CB-CB 4.17Å; D276-C279 WeakPolarHBondContact OD2-CB 3.13Å; C279-T281 PolarHBondContact O-N 2.84Å; C279-G282 WeakPolarHBondContact O-CA 3.25Å; C279-G282 PolarHBondContact O-N 3.23Å; C279-A298 HydrophobicContact CB-CB 3.8Å; C279-V299 PolarHBondContact N-O 2.88Å; C279-D300 PolarHBondContact N-OD2 2.93Å
280	G	97.3	Very high	98.4	Very high	6 Å²	6	31.1 Å²	31.1	6%	0.062	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	-124.8	-175.3	0	0	0	0	0	111.7	G278 G282 D300 A308	G278-G280 PolarHBondContact O-N 3.34Å; G280-G282 PolarHBondContact O-N 3.44Å; G280-D300 VanDerWaalsContact CA-OD2 3.3Å; G280-D300 WeakPolarHBondContact CA-OD2 3.37Å; G280-D300 PolarHBondContact N-OD2 3.15Å; G280-A308 VanDerWaalsContact O-CB 3.25Å; G280-A308 WeakPolarHBondContact O-CB 3.13Å
281	T	97.6	Very high	98.5	Very high	17 Å²	17	25 Å²	25	10%	0.104	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	0	173.8	51.2	0	0	0	0	115.7	H245 L249 C279 I304 I311	H245-T281 HydrophobicContact CB-CG2 3.9Å; L249-T281 HydrophobicContact CD1-CG2 4.5Å; C279-T281 PolarHBondContact O-N 2.84Å; T281-I304 HydrophobicContact CG2-CD1 4.37Å; T281-I304 HydrophobicContact CG2-CG1 3.98Å; T281-I311 HydrophobicContact CG2-CD1 4.3Å
282	G	98.4	Very high	98.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	14.6	177.6	0	0	0	0	0	114.7	C279 G280 L284 S285 M286	C279-G282 WeakPolarHBondContact O-CA 3.25Å; C279-G282 PolarHBondContact O-N 3.23Å; G280-G282 PolarHBondContact O-N 3.44Å; G282-L284 PolarHBondContact O-N 2.91Å; G282-S285 WeakPolarHBondContact O-CB 3.49Å; G282-S285 PolarHBondContact O-N 3.36Å; G282-M286 WeakPolarHBondContact O-CG 3.38Å; G282-M286 PolarHBondContact O-N 3.5Å
283	I	98.8	Very high	98.5	Very high	31 Å²	31	17.6 Å²	17.6	16%	0.159	10%	0.102	C	C	.	.	H	α-helix	trans	-61.9	-40.1	-174.3	-173.2	58.5	0	0	0	113	L249 T255 M286 F287	L249-I283 HydrophobicContact CD2-CB 3.96Å; L249-I283 HydrophobicContact CD2-CG1 3.85Å; L249-I283 HydrophobicContact CD2-CG2 3.93Å; T255-I283 HydrophobicContact CG2-CG1 4.24Å; I283-M286 HydrophobicContact CD1-CE 4.08Å; I283-M286 PolarHBondContact O-N 2.8Å; I283-F287 HydrophobicContact CD1-CE1 3.81Å; I283-F287 HydrophobicContact CD1-CE2 4.2Å; I283-F287 HydrophobicContact CD1-CZ 3.6Å; I283-F287 HydrophobicContact CG1-CE1 4.33Å; I283-F287 HydrophobicContact CG1-CE2 3.79Å; I283-F287 HydrophobicContact CG1-CZ 3.68Å; I283-F287 WeakPolarHBondContact O-CG 3.41Å; I283-F287 PolarHBondContact O-N 2.68Å; I283-F287 VanDerWaalsContact O-N 3.12Å
284	L	98.8	Very high	98.5	Very high	8 Å²	8	23.4 Å²	23.4	4%	0.042	13%	0.125	C	C	.	.	H	α-helix	trans	-70.3	-43.7	178.1	-60.1	-168.1	0	0	0	111.4	Y258 M262 G282 M286 F287 A288 I342 E344	Y258-L284 HydrophobicContact CD1-CD1 3.64Å; Y258-L284 HydrophobicContact CD1-CD2 3.78Å; Y258-L284 HydrophobicContact CD1-CG 4.35Å; Y258-L284 HydrophobicContact CE1-CD1 3.72Å; Y258-L284 HydrophobicContact CG-CD1 4.29Å; Y258-L284 HydrophobicContact CG-CD2 3.74Å; M262-L284 HydrophobicContact CE-CB 4.4Å; G282-L284 PolarHBondContact O-N 2.91Å; L284-M286 VanDerWaalsContact C-N 3.26Å; L284-M286 PolarHBondContact O-N 2.87Å; L284-F287 HydrophobicContact CD2-CD2 4.09Å; L284-F287 HydrophobicContact CD2-CE2 4.4Å; L284-F287 PolarHBondContact O-N 3.09Å; L284-F287 VanDerWaalsContact O-N 3.09Å; L284-A288 PolarHBondContact O-N 3.01Å; L284-I342 HydrophobicContact CD1-CG1 4.16Å; L284-E344 HydrophobicContact CD1-CB 4.01Å
285	S	98.9	Very high	98.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-52.7	-41.2	169.5	-73.8	0	0	0	0	113.4	D276 G282 A288 A289 V296 A298	D276-S285 VanDerWaalsContact CB-OG 3.23Å; D276-S285 WeakPolarHBondContact CB-OG 3.47Å; D276-S285 WeakPolarHBondContact OD2-CB 3.49Å; D276-S285 PolarHBondContact OD2-N 2.84Å; D276-S285 PolarHBondContact OD2-OG 3.18Å; G282-S285 WeakPolarHBondContact O-CB 3.49Å; G282-S285 PolarHBondContact O-N 3.36Å; S285-A288 PolarHBondContact O-N 3.36Å; S285-A289 WeakPolarHBondContact O-CB 3.43Å; S285-A289 PolarHBondContact O-N 3.46Å; S285-V296 VanDerWaalsContact OG-CG1 3.3Å; S285-V296 WeakPolarHBondContact OG-CG1 3.21Å; S285-A298 VanDerWaalsContact OG-CB 3.3Å; S285-A298 WeakPolarHBondContact OG-CB 3.43Å
286	M	98.9	Very high	98.4	Very high	16 Å²	16	26.1 Å²	26.1	8%	0.079	14%	0.137	C	C	.	.	H	α-helix	trans	-68.8	-35.5	176.7	-70.6	-167.1	-72.7	0	0	113.1	G282 I283 L284 R290 I311 V312 N315 L317 I321	G282-M286 WeakPolarHBondContact O-CG 3.38Å; G282-M286 PolarHBondContact O-N 3.5Å; I283-M286 HydrophobicContact CD1-CE 4.08Å; I283-M286 PolarHBondContact O-N 2.8Å; L284-M286 VanDerWaalsContact C-N 3.26Å; L284-M286 PolarHBondContact O-N 2.87Å; M286-R290 WeakPolarHBondContact O-CB 3.4Å; M286-R290 VanDerWaalsContact O-CG 3.3Å; M286-R290 WeakPolarHBondContact O-CG 3.08Å; M286-R290 PolarHBondContact O-N 2.87Å; M286-R290 VanDerWaalsContact O-N 3.13Å; M286-I311 HydrophobicContact CE-CG2 3.43Å; M286-I311 VanDerWaalsContact CE-CG2 3.43Å; M286-I311 HydrophobicContact SD-CG2 3.89Å; M286-V312 HydrophobicContact CG-CG2 4.28Å; M286-N315 HydrophobicContact SD-CB 4.02Å; M286-L317 HydrophobicContact CB-CD1 3.95Å; M286-L317 HydrophobicContact CG-CD1 3.7Å; M286-L317 HydrophobicContact SD-CD1 4.24Å; M286-I321 HydrophobicContact CG-CD1 3.86Å
287	F	98.9	Very high	98.4	Very high	22 Å²	22	26 Å²	26	10%	0.096	14%	0.137	C	C	.	.	H	α-helix	trans	-67.3	-43.3	171.5	-61.9	-28.5	0	0	0	111.6	T255 R259 M262 Y263 I283 L284 A289 R290 A291	T255-F287 HydrophobicContact CG2-CE2 3.98Å; T255-F287 HydrophobicContact CG2-CZ 4.07Å; R259-F287 HydrophobicContact CB-CD1 4.36Å; R259-F287 HydrophobicContact CB-CD2 3.79Å; R259-F287 HydrophobicContact CB-CE1 4.21Å; R259-F287 HydrophobicContact CB-CE2 3.62Å; R259-F287 HydrophobicContact CB-CG 4.17Å; R259-F287 HydrophobicContact CB-CZ 3.84Å; R259-F287 HydrophobicContact CG-CD1 4.05Å; R259-F287 HydrophobicContact CG-CD2 4.36Å; R259-F287 HydrophobicContact CG-CE1 3.96Å; R259-F287 HydrophobicContact CG-CE2 4.28Å; R259-F287 HydrophobicContact CG-CG 4.26Å; R259-F287 HydrophobicContact CG-CZ 4.08Å; M262-F287 VanDerWaalsContact SD-C 3.58Å; M262-F287 HydrophobicContact SD-CB 3.43Å; M262-F287 WeakPolarHBondContact SD-CB 3.27Å; Y263-F287 HydrophobicContact CE1-CB 4.3Å; I283-F287 HydrophobicContact CD1-CE1 3.81Å; I283-F287 HydrophobicContact CD1-CE2 4.2Å; I283-F287 HydrophobicContact CD1-CZ 3.6Å; I283-F287 HydrophobicContact CG1-CE1 4.33Å; I283-F287 HydrophobicContact CG1-CE2 3.79Å; I283-F287 HydrophobicContact CG1-CZ 3.68Å; I283-F287 WeakPolarHBondContact O-CG 3.41Å; I283-F287 PolarHBondContact O-N 2.68Å; I283-F287 VanDerWaalsContact O-N 3.12Å; L284-F287 HydrophobicContact CD2-CD2 4.09Å; L284-F287 HydrophobicContact CD2-CE2 4.4Å; L284-F287 PolarHBondContact O-N 3.09Å; L284-F287 VanDerWaalsContact O-N 3.09Å; F287-A289 PolarHBondContact O-N 3.41Å; F287-R290 CarbonylContact O-C 3.57Å; F287-R290 PolarHBondContact O-N 3.3Å; F287-A291 WeakPolarHBondContact O-CB 3.26Å; F287-A291 PolarHBondContact O-N 3.44Å
288	A	98.8	Very high	98.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.5	-43.1	179.3	0	0	0	0	0	112	M262 F269 V274 L284 S285 A291 G292 A293 V296	M262-A288 HydrophobicContact SD-CB 3.94Å; M262-A288 PolarHBondContact SD-N 3.17Å; F269-A288 HydrophobicContact CD1-CB 4.25Å; F269-A288 HydrophobicContact CE1-CB 4.38Å; V274-A288 HydrophobicContact CG1-CB 4.27Å; V274-A288 HydrophobicContact CG2-CB 4.42Å; L284-A288 PolarHBondContact O-N 3.01Å; S285-A288 PolarHBondContact O-N 3.36Å; A288-A291 PolarHBondContact O-N 2.95Å; A288-G292 PolarHBondContact O-N 3.32Å; A288-A293 VanDerWaalsContact O-CB 3.23Å; A288-A293 WeakPolarHBondContact O-CB 3.27Å; A288-A293 PolarHBondContact O-N 3.35Å; A288-A293 VanDerWaalsContact O-N 3.13Å; A288-V296 HydrophobicContact CB-CG2 4.01Å
289	A	98.8	Very high	98.5	Very high	7 Å²	7	24.6 Å²	24.6	6%	0.058	12%	0.122	C	C	.	.	H	α-helix	trans	-60.1	-44.8	173.2	0	0	0	0	0	111.8	S285 F287 A291 G292 V296 L317 I320 I321	S285-A289 WeakPolarHBondContact O-CB 3.43Å; S285-A289 PolarHBondContact O-N 3.46Å; F287-A289 PolarHBondContact O-N 3.41Å; A289-A291 VanDerWaalsContact C-N 3.32Å; A289-A291 PolarHBondContact O-N 2.93Å; A289-G292 PolarHBondContact O-N 2.93Å; A289-G292 VanDerWaalsContact O-N 3.12Å; A289-V296 HydrophobicContact CB-CG2 4.27Å; A289-L317 HydrophobicContact CB-CD2 4.15Å; A289-I320 HydrophobicContact CB-CB 4.38Å; A289-I320 HydrophobicContact CB-CG2 3.83Å; A289-I321 HydrophobicContact CB-CD1 4.1Å; A289-I321 HydrophobicContact CB-CG1 4.03Å
290	R	98.4	Very high	98.5	Very high	147 Å²	147	25 Å²	25	56%	0.555	12%	0.124	S	C	*	.	H	α-helix	trans	-69.4	-24.8	177.3	-73	177.9	-177.6	-163.8	7.8	113.9	Y263 M286 F287 G292 N315	Y263-R290 HydrophobicContact CE1-CB 3.83Å; Y263-R290 VanDerWaalsContact OH-CD 3.32Å; Y263-R290 WeakPolarHBondContact OH-CD 3.48Å; M286-R290 WeakPolarHBondContact O-CB 3.4Å; M286-R290 VanDerWaalsContact O-CG 3.3Å; M286-R290 WeakPolarHBondContact O-CG 3.08Å; M286-R290 PolarHBondContact O-N 2.87Å; M286-R290 VanDerWaalsContact O-N 3.13Å; F287-R290 CarbonylContact O-C 3.57Å; F287-R290 PolarHBondContact O-N 3.3Å; R290-G292 PolarHBondContact O-N 3.24Å; R290-N315 PolarHBondContact NH2-OD1 2.82Å; R290-N315 VanDerWaalsContact NH2-OD1 3.09Å
291	A	98.3	Very high	98.4	Very high	10 Å²	10	26.4 Å²	26.4	8%	0.083	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-10.2	171.7	0	0	0	0	0	113.5	M262 Y263 F269 F287 A288 A289	M262-A291 HydrophobicContact CB-CB 3.98Å; Y263-A291 HydrophobicContact CD1-CB 4.41Å; F269-A291 HydrophobicContact CB-CB 3.82Å; F269-A291 HydrophobicContact CD2-CB 4.38Å; F269-A291 HydrophobicContact CG-CB 4.08Å; F287-A291 WeakPolarHBondContact O-CB 3.26Å; F287-A291 PolarHBondContact O-N 3.44Å; A288-A291 PolarHBondContact O-N 2.95Å; A289-A291 VanDerWaalsContact C-N 3.32Å; A289-A291 PolarHBondContact O-N 2.93Å
292	G	98.4	Very high	98.1	Very high	32 Å²	32	25.7 Å²	25.7	33%	0.33	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	107.6	17.6	175.5	0	0	0	0	0	115.3	R270 D271 A288 A289 R290 K294	R270-G292 WeakPolarHBondContact CA-O 3.49Å; D271-G292 PolarHBondContact N-O 3Å; A288-G292 PolarHBondContact O-N 3.32Å; A289-G292 PolarHBondContact O-N 2.93Å; A289-G292 VanDerWaalsContact O-N 3.12Å; R290-G292 PolarHBondContact O-N 3.24Å; G292-K294 PolarHBondContact O-N 3.3Å
293	A	98.7	Very high	97.9	Very high	5 Å²	5	30.6 Å²	30.6	4%	0.041	15%	0.147	C	C	.	.			trans	-56.7	131.5	171.2	0	0	0	0	0	111	F269 V274 A288 K295 V296 I320	F269-A293 VanDerWaalsContact O-CA 3.32Å; F269-A293 WeakPolarHBondContact O-CA 3.44Å; F269-A293 PolarHBondContact O-N 3.29Å; V274-A293 HydrophobicContact CG2-CB 3.74Å; A288-A293 VanDerWaalsContact O-CB 3.23Å; A288-A293 WeakPolarHBondContact O-CB 3.27Å; A288-A293 PolarHBondContact O-N 3.35Å; A288-A293 VanDerWaalsContact O-N 3.13Å; A293-K295 VanDerWaalsContact C-N 3.31Å; A293-V296 HydrophobicContact CB-CG2 3.91Å; A293-I320 WeakPolarHBondContact O-CG2 3.47Å
294	K	98.6	Very high	97.7	Very high	148 Å²	148	29.5 Å²	29.5	64%	0.643	14%	0.142	S	C	*	.	S	Bend	trans	-68	-33.9	177.3	171.6	-179.7	177.2	-175.1	0	112	D271 K272 G292	D271-K294 VanDerWaalsContact C-CB 3.46Å; D271-K294 VanDerWaalsContact O-CB 3.3Å; D271-K294 WeakPolarHBondContact O-CB 3.42Å; D271-K294 WeakPolarHBondContact O-CD 3.14Å; K272-K294 WeakPolarHBondContact O-CB 3.3Å; K272-K294 PolarHBondContact O-N 2.86Å; G292-K294 PolarHBondContact O-N 3.3Å
295	K	98.7	Very high	97.6	Very high	57 Å²	57	29.1 Å²	29.1	25%	0.248	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	140.5	172.7	-176.4	172.6	-175.7	175.2	0	109	K272 V273 V274 A293 I297 I320 T322	K272-K295 PolarHBondContact O-N 3.5Å; V273-K295 WeakPolarHBondContact CA-O 3.39Å; V273-K295 HydrophobicContact CG1-CB 4.49Å; V274-K295 PolarHBondContact N-O 3.41Å; A293-K295 VanDerWaalsContact C-N 3.31Å; K295-I297 HydrophobicContact CD-CG1 4.29Å; K295-I297 HydrophobicContact CG-CG1 4.41Å; K295-I320 WeakPolarHBondContact CA-O 3.43Å; K295-T322 WeakPolarHBondContact CE-OG1 3.32Å; K295-T322 PolarHBondContact NZ-OG1 2.87Å
296	V	98.9	Very high	97.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	138.5	163.8	-169.2	0	0	0	0	108.6	V274 D276 S285 A288 A289 A293 I320 I321 T322	V274-V296 HydrophobicContact CB-CG1 4.25Å; V274-V296 HydrophobicContact CB-CG2 4.33Å; V274-V296 HydrophobicContact CG1-CG1 4.4Å; V274-V296 CarbonylContact O-C 3.57Å; V274-V296 WeakPolarHBondContact O-CA 3.26Å; D276-V296 HydrophobicContact CB-CG1 4.31Å; S285-V296 VanDerWaalsContact OG-CG1 3.3Å; S285-V296 WeakPolarHBondContact OG-CG1 3.21Å; A288-V296 HydrophobicContact CB-CG2 4.01Å; A289-V296 HydrophobicContact CB-CG2 4.27Å; A293-V296 HydrophobicContact CB-CG2 3.91Å; V296-I320 HydrophobicContact CG2-CG2 4.47Å; V296-I320 PolarHBondContact N-O 3.07Å; V296-I321 HydrophobicContact CB-CG1 4.16Å; V296-I321 HydrophobicContact CB-CG2 4.46Å; V296-I321 HydrophobicContact CG2-CG1 4.37Å; V296-I321 WeakPolarHBondContact O-CA 3.13Å; V296-T322 PolarHBondContact O-N 2.95Å
297	I	98.9	Very high	97.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	122.2	169.3	-60.4	164.1	0	0	0	105.7	V273 V274 L275 D276 K295 V299 T322 I324 L333 P334 V335	V273-I297 HydrophobicContact CG1-CD1 4.27Å; V274-I297 PolarHBondContact O-N 3.04Å; L275-I297 CarbonylContact C-O 3.6Å; L275-I297 WeakPolarHBondContact CA-O 3.23Å; L275-I297 HydrophobicContact CD1-CB 4.15Å; L275-I297 HydrophobicContact CD1-CG2 4.01Å; D276-I297 PolarHBondContact N-O 3Å; K295-I297 HydrophobicContact CD-CG1 4.29Å; K295-I297 HydrophobicContact CG-CG1 4.41Å; I297-V299 HydrophobicContact CG2-CG2 4.31Å; I297-T322 CarbonylContact C-O 3.51Å; I297-T322 WeakPolarHBondContact CA-O 3.16Å; I297-I324 HydrophobicContact CG2-CD1 3.67Å; I297-I324 HydrophobicContact CG2-CG1 4.38Å; I297-L333 HydrophobicContact CG2-CD2 4.09Å; I297-P334 HydrophobicContact CD1-CG 3.95Å; I297-P334 HydrophobicContact CG1-CG 4.32Å; I297-V335 HydrophobicContact CD1-CB 4.44Å; I297-V335 HydrophobicContact CD1-CG1 4.1Å; I297-V335 HydrophobicContact CD1-CG2 3.51Å
298	A	98.7	Very high	97.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.8	-173.5	0	0	0	0	0	108.9	D276 C279 S285 I321 T322 L323 I324	D276-A298 HydrophobicContact CB-CB 4.38Å; C279-A298 HydrophobicContact CB-CB 3.8Å; S285-A298 VanDerWaalsContact OG-CB 3.3Å; S285-A298 WeakPolarHBondContact OG-CB 3.43Å; A298-I321 HydrophobicContact CB-CG2 4.18Å; A298-T322 PolarHBondContact N-O 2.88Å; A298-L323 HydrophobicContact CB-CG 4.2Å; A298-L323 CarbonylContact O-C 3.52Å; A298-L323 WeakPolarHBondContact O-CA 3.11Å; A298-I324 PolarHBondContact O-N 3.25Å
299	V	98.6	Very high	97.4	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.018	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	128.4	-170.6	178.5	0	0	0	0	109.7	L275 D276 G278 C279 I297 I324 G326 I328 I331 L333	L275-V299 HydrophobicContact CD1-CG2 3.77Å; D276-V299 PolarHBondContact O-N 2.86Å; G278-V299 VanDerWaalsContact CA-O 3.32Å; G278-V299 WeakPolarHBondContact CA-O 3.46Å; G278-V299 PolarHBondContact N-O 2.82Å; C279-V299 PolarHBondContact N-O 2.88Å; I297-V299 HydrophobicContact CG2-CG2 4.31Å; V299-I324 WeakPolarHBondContact CA-O 3.31Å; V299-G326 WeakPolarHBondContact CG1-O 3.45Å; V299-I328 HydrophobicContact CG1-CB 4.32Å; V299-I328 HydrophobicContact CG1-CD1 4.32Å; V299-I328 HydrophobicContact CG2-CD1 4.27Å; V299-I331 HydrophobicContact CB-CD1 4.25Å; V299-I331 HydrophobicContact CG1-CD1 3.53Å; V299-I331 HydrophobicContact CG2-CD1 3.64Å; V299-L333 HydrophobicContact CG2-CD2 4.09Å
300	D	97.6	Very high	97.3	Very high	16 Å²	16	43.4 Å²	43.4	9%	0.086	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	142.7	173.9	-155.3	-66.5	0	0	0	109.9	C279 G280 S302 I305 I324 K325 G326	C279-D300 PolarHBondContact N-OD2 2.93Å; G280-D300 VanDerWaalsContact CA-OD2 3.3Å; G280-D300 WeakPolarHBondContact CA-OD2 3.37Å; G280-D300 PolarHBondContact N-OD2 3.15Å; D300-S302 WeakPolarHBondContact OD1-CB 3.28Å; D300-S302 PolarHBondContact OD1-N 2.82Å; D300-S302 PolarHBondContact OD1-OG 3.29Å; D300-I305 HydrophobicContact CB-CB 4.3Å; D300-I305 HydrophobicContact CB-CD1 4.08Å; D300-I305 HydrophobicContact CB-CG1 4.39Å; D300-I324 PolarHBondContact N-O 3.5Å; D300-K325 CarbonylContact O-C 3.58Å; D300-K325 VanDerWaalsContact O-CA 3.26Å; D300-K325 WeakPolarHBondContact O-CA 3.48Å; D300-G326 CarbonylContact C-O 3.6Å; D300-G326 PolarHBondContact O-N 2.84Å
301	Q	94.8	Very high	97.4	Very high	35 Å²	35	39 Å²	39	16%	0.164	19%	0.192	C	C	.	.			trans	-88.8	-24.6	177.6	173.5	64.7	-9.6	0	0	112.3	E229 F236 K325 G326 R327	E229-Q301 PolarHBondContact OE1-NE2 2.85Å; F236-Q301 HydrophobicContact CB-CG 4.19Å; F236-Q301 HydrophobicContact CD1-CB 3.65Å; F236-Q301 HydrophobicContact CD1-CG 3.92Å; F236-Q301 HydrophobicContact CD2-CB 4.16Å; F236-Q301 HydrophobicContact CD2-CG 3.51Å; F236-Q301 HydrophobicContact CE1-CB 3.66Å; F236-Q301 HydrophobicContact CE1-CG 4.14Å; F236-Q301 HydrophobicContact CE2-CB 4.16Å; F236-Q301 HydrophobicContact CE2-CG 3.74Å; F236-Q301 HydrophobicContact CG-CB 3.9Å; F236-Q301 HydrophobicContact CG-CG 3.6Å; F236-Q301 HydrophobicContact CZ-CB 3.92Å; F236-Q301 HydrophobicContact CZ-CG 4.05Å; Q301-K325 WeakPolarHBondContact O-CE 3.33Å; Q301-K325 PolarHBondContact O-NZ 2.82Å; Q301-G326 PolarHBondContact N-O 3.4Å; Q301-R327 HydrophobicContact CB-CG 4Å; Q301-R327 HydrophobicContact CG-CG 3.81Å
302	S	92.3	Very high	97.4	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.014	19%	0.188	C	C	.	.	S	Bend	trans	-76.7	162.5	-174.2	69.2	0	0	0	0	113	F236 D300 I304 I305	F236-S302 WeakPolarHBondContact O-CB 3.31Å; D300-S302 WeakPolarHBondContact OD1-CB 3.28Å; D300-S302 PolarHBondContact OD1-N 2.82Å; D300-S302 PolarHBondContact OD1-OG 3.29Å; S302-I304 PolarHBondContact O-N 2.89Å; S302-I304 VanDerWaalsContact OG-CG2 3.23Å; S302-I304 WeakPolarHBondContact OG-CG2 3.27Å; S302-I305 WeakPolarHBondContact O-CG2 3.49Å; S302-I305 PolarHBondContact O-N 3.19Å
303	E	93.1	Very high	97.4	Very high	103 Å²	103	43 Å²	43	48%	0.481	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-19.8	-176.9	-61.7	-58.5	110.1	0	0	113.5	I305 Y306 Q307 K325	E303-I305 PolarHBondContact O-N 2.58Å; E303-Y306 VanDerWaalsContact O-CD2 3.3Å; E303-Y306 WeakPolarHBondContact O-CD2 3.46Å; E303-Y306 PolarHBondContact O-N 3.38Å; E303-Y306 VanDerWaalsContact O-N 3.13Å; E303-Y306 VanDerWaalsContact OE2-CE2 3.31Å; E303-Y306 WeakPolarHBondContact OE2-CE2 3.38Å; E303-Q307 PolarHBondContact O-OE1 2.82Å; E303-Q307 VanDerWaalsContact O-OE1 3.09Å; E303-K325 WeakPolarHBondContact OE1-CE 3.36Å; E303-K325 IonicContact OE1-NZ 2.7Å; E303-K325 PolarHBondContact OE1-NZ 3.44Å
304	I	95	Very high	97.4	Very high	9 Å²	9	46.9 Å²	46.9	5%	0.046	22%	0.221	C	C	.	.	H	α-helix	trans	-57.2	-22	-179.4	-160.6	66.7	0	0	0	113.1	T281 S302 Y306 Q307 A308	T281-I304 HydrophobicContact CG2-CD1 4.37Å; T281-I304 HydrophobicContact CG2-CG1 3.98Å; S302-I304 PolarHBondContact O-N 2.89Å; S302-I304 VanDerWaalsContact OG-CG2 3.23Å; S302-I304 WeakPolarHBondContact OG-CG2 3.27Å; I304-Y306 PolarHBondContact O-N 2.83Å; I304-Q307 VanDerWaalsContact CA-OE1 3.32Å; I304-Q307 HydrophobicContact CD1-CB 4.41Å; I304-Q307 PolarHBondContact O-N 2.94Å; I304-Q307 VanDerWaalsContact O-N 3.12Å; I304-Q307 PolarHBondContact O-OE1 3.28Å; I304-A308 PolarHBondContact O-N 3.45Å
305	I	96.8	Very high	97.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.4	-26.7	-179.6	-158.9	175	0	0	0	112.4	D300 S302 E303 A308 M309 L323 I324 K325	D300-I305 HydrophobicContact CB-CB 4.3Å; D300-I305 HydrophobicContact CB-CD1 4.08Å; D300-I305 HydrophobicContact CB-CG1 4.39Å; S302-I305 WeakPolarHBondContact O-CG2 3.49Å; S302-I305 PolarHBondContact O-N 3.19Å; E303-I305 PolarHBondContact O-N 2.58Å; I305-A308 WeakPolarHBondContact O-CB 3.01Å; I305-A308 PolarHBondContact O-N 3.38Å; I305-M309 WeakPolarHBondContact O-CG 3.47Å; I305-M309 PolarHBondContact O-N 2.94Å; I305-L323 HydrophobicContact CD1-CB 4.15Å; I305-L323 HydrophobicContact CG1-CB 4.12Å; I305-L323 HydrophobicContact CG1-CD2 3.96Å; I305-I324 WeakPolarHBondContact CD1-O 3.24Å; I305-K325 HydrophobicContact CD1-CB 4.35Å; I305-K325 HydrophobicContact CG2-CB 3.98Å; I305-K325 HydrophobicContact CG2-CD 3.99Å; I305-K325 HydrophobicContact CG2-CG 3.89Å
306	Y	96.4	Very high	97.4	Very high	116 Å²	116	46.5 Å²	46.5	46%	0.455	23%	0.225	S	C	.	.	H	α-helix	trans	-68.5	-43.1	175.2	-63.7	-61.4	0	0	0	111.5	E303 I304 A308 M309 D310 K325	E303-Y306 VanDerWaalsContact O-CD2 3.3Å; E303-Y306 WeakPolarHBondContact O-CD2 3.46Å; E303-Y306 PolarHBondContact O-N 3.38Å; E303-Y306 VanDerWaalsContact O-N 3.13Å; E303-Y306 VanDerWaalsContact OE2-CE2 3.31Å; E303-Y306 WeakPolarHBondContact OE2-CE2 3.38Å; I304-Y306 PolarHBondContact O-N 2.83Å; Y306-A308 VanDerWaalsContact C-N 3.31Å; Y306-A308 PolarHBondContact O-N 3.02Å; Y306-M309 HydrophobicContact CD1-CE 4.16Å; Y306-M309 HydrophobicContact CD1-SD 4.4Å; Y306-M309 HydrophobicContact CE1-CE 4.42Å; Y306-M309 WeakPolarHBondContact O-CB 3.43Å; Y306-M309 PolarHBondContact O-N 2.85Å; Y306-D310 PolarHBondContact O-N 3.31Å; Y306-K325 HydrophobicContact CE2-CD 4Å; Y306-K325 WeakPolarHBondContact OH-CD 3.16Å
307	Q	97.6	Very high	97.4	Very high	100 Å²	100	47.4 Å²	47.4	47%	0.467	23%	0.229	S	C	.	.	H	α-helix	trans	-64.2	-37.4	170.8	-66.2	79.4	-3.3	0	0	110.8	E303 I304 M309 D310 I311	E303-Q307 PolarHBondContact O-OE1 2.82Å; E303-Q307 VanDerWaalsContact O-OE1 3.09Å; I304-Q307 VanDerWaalsContact CA-OE1 3.32Å; I304-Q307 HydrophobicContact CD1-CB 4.41Å; I304-Q307 PolarHBondContact O-N 2.94Å; I304-Q307 VanDerWaalsContact O-N 3.12Å; I304-Q307 PolarHBondContact O-OE1 3.28Å; Q307-M309 VanDerWaalsContact C-N 3.31Å; Q307-M309 PolarHBondContact O-N 2.64Å; Q307-D310 PolarHBondContact O-N 3.04Å; Q307-D310 VanDerWaalsContact O-N 3.14Å; Q307-I311 VanDerWaalsContact O-CG1 3.29Å; Q307-I311 WeakPolarHBondContact O-CG1 3.49Å; Q307-I311 PolarHBondContact O-N 3.14Å
308	A	98.3	Very high	97.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.5	-36.1	174.8	0	0	0	0	0	112.6	G280 I304 I305 Y306 I311 V312 L323	G280-A308 VanDerWaalsContact O-CB 3.25Å; G280-A308 WeakPolarHBondContact O-CB 3.13Å; I304-A308 PolarHBondContact O-N 3.45Å; I305-A308 WeakPolarHBondContact O-CB 3.01Å; I305-A308 PolarHBondContact O-N 3.38Å; Y306-A308 VanDerWaalsContact C-N 3.31Å; Y306-A308 PolarHBondContact O-N 3.02Å; A308-I311 PolarHBondContact O-N 3.5Å; A308-V312 WeakPolarHBondContact O-CB 3.49Å; A308-V312 WeakPolarHBondContact O-CG2 3.38Å; A308-V312 PolarHBondContact O-N 3.37Å; A308-L323 HydrophobicContact CB-CD2 3.49Å; A308-L323 VanDerWaalsContact CB-CD2 3.49Å
309	M	98.3	Very high	97.3	Very high	42 Å²	42	58.1 Å²	58.1	21%	0.207	28%	0.284	C	S	.	.	H	α-helix	trans	-61.4	-43.3	172.3	-66.3	178.3	-159.6	0	0	111.6	I305 Y306 Q307 V312 R313 L323	I305-M309 WeakPolarHBondContact O-CG 3.47Å; I305-M309 PolarHBondContact O-N 2.94Å; Y306-M309 HydrophobicContact CD1-CE 4.16Å; Y306-M309 HydrophobicContact CD1-SD 4.4Å; Y306-M309 HydrophobicContact CE1-CE 4.42Å; Y306-M309 WeakPolarHBondContact O-CB 3.43Å; Y306-M309 PolarHBondContact O-N 2.85Å; Q307-M309 VanDerWaalsContact C-N 3.31Å; Q307-M309 PolarHBondContact O-N 2.64Å; M309-V312 PolarHBondContact O-N 3.4Å; M309-R313 WeakPolarHBondContact O-CD 3.35Å; M309-R313 WeakPolarHBondContact O-CG 3.21Å; M309-R313 PolarHBondContact O-N 3.03Å; M309-L323 HydrophobicContact CE-CB 4.37Å; M309-L323 HydrophobicContact CG-CB 4.09Å; M309-L323 HydrophobicContact CG-CD1 4.12Å; M309-L323 HydrophobicContact CG-CD2 4.07Å; M309-L323 HydrophobicContact CG-CG 4.32Å
310	D	98.3	Very high	97.3	Very high	86 Å²	86	60.5 Å²	60.5	46%	0.46	30%	0.296	S	S	.	.	H	α-helix	trans	-71.4	-34.8	177.8	-77.4	-36.3	0	0	0	113.1	Y306 Q307 R313 S314	Y306-D310 PolarHBondContact O-N 3.31Å; Q307-D310 PolarHBondContact O-N 3.04Å; Q307-D310 VanDerWaalsContact O-N 3.14Å; D310-R313 IonicContact OD1-CZ 2.83Å; D310-R313 IonicContact OD1-NH1 2.74Å; D310-R313 PolarHBondContact OD1-NH1 3.36Å; D310-R313 IonicContact OD2-NH1 3.21Å; D310-S314 WeakPolarHBondContact O-CB 3.39Å; D310-S314 PolarHBondContact O-N 3.42Å; D310-S314 PolarHBondContact O-OG 3.49Å
311	I	98.6	Very high	97.3	Very high	55 Å²	55	59.9 Å²	59.9	28%	0.282	29%	0.293	S	S	.	.	H	α-helix	trans	-60.4	-45.4	170.9	-71	165.1	0	0	0	110.6	T281 M286 Q307 A308 S314 N315	T281-I311 HydrophobicContact CG2-CD1 4.3Å; M286-I311 HydrophobicContact CE-CG2 3.43Å; M286-I311 VanDerWaalsContact CE-CG2 3.43Å; M286-I311 HydrophobicContact SD-CG2 3.89Å; Q307-I311 VanDerWaalsContact O-CG1 3.29Å; Q307-I311 WeakPolarHBondContact O-CG1 3.49Å; Q307-I311 PolarHBondContact O-N 3.14Å; A308-I311 PolarHBondContact O-N 3.5Å; I311-S314 PolarHBondContact O-N 2.74Å; I311-N315 PolarHBondContact O-N 2.88Å; I311-N315 VanDerWaalsContact O-N 3.11Å; I311-N315 PolarHBondContact O-ND2 2.84Å
312	V	98.8	Very high	97.5	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.006	30%	0.3	C	S	.	.	H	α-helix	trans	-66.3	-43.7	179.6	162.9	0	0	0	0	112	M286 A308 M309 N315 Q316 L317 E318 I321 L323	M286-V312 HydrophobicContact CG-CG2 4.28Å; A308-V312 WeakPolarHBondContact O-CB 3.49Å; A308-V312 WeakPolarHBondContact O-CG2 3.38Å; A308-V312 PolarHBondContact O-N 3.37Å; M309-V312 PolarHBondContact O-N 3.4Å; V312-N315 CarbonylContact O-C 3.6Å; V312-N315 PolarHBondContact O-N 2.7Å; V312-Q316 PolarHBondContact O-N 3.47Å; V312-Q316 VanDerWaalsContact O-N 3.17Å; V312-L317 HydrophobicContact CG1-CB 4.15Å; V312-L317 PolarHBondContact O-N 2.84Å; V312-L317 VanDerWaalsContact O-N 3.09Å; V312-E318 HydrophobicContact CG1-CB 4.16Å; V312-I321 HydrophobicContact CG1-CB 3.99Å; V312-I321 HydrophobicContact CG1-CD1 4.23Å; V312-I321 HydrophobicContact CG1-CG2 4.45Å; V312-I321 HydrophobicContact CG2-CD1 3.93Å; V312-I321 HydrophobicContact CG2-CG2 4.27Å; V312-L323 HydrophobicContact CB-CD1 4.19Å; V312-L323 HydrophobicContact CG1-CD1 4.17Å; V312-L323 HydrophobicContact CG2-CD1 4.15Å
313	R	98.6	Very high	97.8	Very high	126 Å²	126	62 Å²	62	48%	0.475	31%	0.307	S	S	.	.	H	α-helix	trans	-60.6	-43.2	172.4	-67.1	161.9	-166.9	156.5	3.7	111.6	M309 D310 N315 Q316 E318	M309-R313 WeakPolarHBondContact O-CD 3.35Å; M309-R313 WeakPolarHBondContact O-CG 3.21Å; M309-R313 PolarHBondContact O-N 3.03Å; D310-R313 IonicContact OD1-CZ 2.83Å; D310-R313 IonicContact OD1-NH1 2.74Å; D310-R313 PolarHBondContact OD1-NH1 3.36Å; D310-R313 IonicContact OD2-NH1 3.21Å; R313-N315 PolarHBondContact O-N 3.27Å; R313-Q316 PolarHBondContact O-N 3.31Å; R313-Q316 PolarHBondContact O-NE2 3.24Å; R313-E318 HydrophobicContact CG-CB 4.36Å
314	S	98.6	Very high	98.1	Very high	85 Å²	85	58.9 Å²	58.9	59%	0.594	29%	0.293	S	S	*	.	H	α-helix	trans	-65.7	-17.8	178.4	-60.1	0	0	0	0	113.3	D310 I311 Q316	D310-S314 WeakPolarHBondContact O-CB 3.39Å; D310-S314 PolarHBondContact O-N 3.42Å; D310-S314 PolarHBondContact O-OG 3.49Å; I311-S314 PolarHBondContact O-N 2.74Å; S314-Q316 PolarHBondContact O-NE2 2.81Å
315	N	98.6	Very high	98.2	Very high	60 Å²	60	61.4 Å²	61.4	32%	0.321	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	2.7	173.2	-78.9	-94.5	0	0	0	114.2	M286 R290 I311 V312 R313 L317	M286-N315 HydrophobicContact SD-CB 4.02Å; R290-N315 PolarHBondContact NH2-OD1 2.82Å; R290-N315 VanDerWaalsContact NH2-OD1 3.09Å; I311-N315 PolarHBondContact O-N 2.88Å; I311-N315 VanDerWaalsContact O-N 3.11Å; I311-N315 PolarHBondContact O-ND2 2.84Å; V312-N315 CarbonylContact O-C 3.6Å; V312-N315 PolarHBondContact O-N 2.7Å; R313-N315 PolarHBondContact O-N 3.27Å; N315-L317 VanDerWaalsContact C-N 3.31Å; N315-L317 HydrophobicContact CB-CD1 4.09Å; N315-L317 HydrophobicContact CB-CG 4.28Å; N315-L317 PolarHBondContact O-N 2.81Å
316	Q	98.5	Very high	98.1	Very high	137 Å²	137	61.8 Å²	61.8	64%	0.64	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	34.8	-179.4	-62	74.8	74.4	0	0	113.6	V312 R313 S314 E318	V312-Q316 PolarHBondContact O-N 3.47Å; V312-Q316 VanDerWaalsContact O-N 3.17Å; R313-Q316 PolarHBondContact O-N 3.31Å; R313-Q316 PolarHBondContact O-NE2 3.24Å; S314-Q316 PolarHBondContact O-NE2 2.81Å; Q316-E318 VanDerWaalsContact C-OE2 3.24Å; Q316-E318 VanDerWaalsContact CA-OE2 3.26Å; Q316-E318 WeakPolarHBondContact CA-OE2 3.35Å
317	L	98.6	Very high	98	Very high	19 Å²	19	57.1 Å²	57.1	10%	0.099	29%	0.289	C	S	.	.			trans	-108	2.2	-177.4	-67	173.3	0	0	0	113.7	M286 A289 V312 N315 N319 I320 I321	M286-L317 HydrophobicContact CB-CD1 3.95Å; M286-L317 HydrophobicContact CG-CD1 3.7Å; M286-L317 HydrophobicContact SD-CD1 4.24Å; A289-L317 HydrophobicContact CB-CD2 4.15Å; V312-L317 HydrophobicContact CG1-CB 4.15Å; V312-L317 PolarHBondContact O-N 2.84Å; V312-L317 VanDerWaalsContact O-N 3.09Å; N315-L317 VanDerWaalsContact C-N 3.31Å; N315-L317 HydrophobicContact CB-CD1 4.09Å; N315-L317 HydrophobicContact CB-CG 4.28Å; N315-L317 PolarHBondContact O-N 2.81Å; L317-N319 PolarHBondContact O-N 3.35Å; L317-N319 VanDerWaalsContact O-N 3.13Å; L317-I320 HydrophobicContact CD2-CD1 4.33Å; L317-I320 PolarHBondContact O-N 3.05Å; L317-I321 HydrophobicContact CB-CD1 3.7Å; L317-I321 HydrophobicContact CB-CG1 4.23Å; L317-I321 HydrophobicContact CD1-CD1 4.1Å; L317-I321 HydrophobicContact CG-CD1 4.5Å; L317-I321 PolarHBondContact O-N 3.23Å
318	E	97.7	Very high	98	Very high	84 Å²	84	52.6 Å²	52.6	39%	0.393	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.7	-178.5	71.9	-67.5	157	0	0	114.4	V312 R313 Q316 I320	V312-E318 HydrophobicContact CG1-CB 4.16Å; R313-E318 HydrophobicContact CG-CB 4.36Å; Q316-E318 VanDerWaalsContact C-OE2 3.24Å; Q316-E318 VanDerWaalsContact CA-OE2 3.26Å; Q316-E318 WeakPolarHBondContact CA-OE2 3.35Å; E318-I320 VanDerWaalsContact C-N 3.32Å
319	N	97.9	Very high	97.9	Very high	141 Å²	141	53.9 Å²	53.9	75%	0.754	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-11.5	173.5	-63.4	-79.6	0	0	0	113.2	L317	L317-N319 PolarHBondContact O-N 3.35Å; L317-N319 VanDerWaalsContact O-N 3.13Å
320	I	98.6	Very high	97.7	Very high	53 Å²	53	56.6 Å²	56.6	27%	0.272	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-41.5	-179.4	-56.4	175	0	0	0	110.6	A289 A293 K295 V296 L317 E318	A289-I320 HydrophobicContact CB-CB 4.38Å; A289-I320 HydrophobicContact CB-CG2 3.83Å; A293-I320 WeakPolarHBondContact O-CG2 3.47Å; K295-I320 WeakPolarHBondContact CA-O 3.43Å; V296-I320 HydrophobicContact CG2-CG2 4.47Å; V296-I320 PolarHBondContact N-O 3.07Å; L317-I320 HydrophobicContact CD2-CD1 4.33Å; L317-I320 PolarHBondContact O-N 3.05Å; E318-I320 VanDerWaalsContact C-N 3.32Å
321	I	98.8	Very high	97.5	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.021	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	119.2	-175.1	-53.1	172.3	0	0	0	109.8	M286 A289 V296 A298 V312 L317 L323	M286-I321 HydrophobicContact CG-CD1 3.86Å; A289-I321 HydrophobicContact CB-CD1 4.1Å; A289-I321 HydrophobicContact CB-CG1 4.03Å; V296-I321 HydrophobicContact CB-CG1 4.16Å; V296-I321 HydrophobicContact CB-CG2 4.46Å; V296-I321 HydrophobicContact CG2-CG1 4.37Å; V296-I321 WeakPolarHBondContact O-CA 3.13Å; A298-I321 HydrophobicContact CB-CG2 4.18Å; V312-I321 HydrophobicContact CG1-CB 3.99Å; V312-I321 HydrophobicContact CG1-CD1 4.23Å; V312-I321 HydrophobicContact CG1-CG2 4.45Å; V312-I321 HydrophobicContact CG2-CD1 3.93Å; V312-I321 HydrophobicContact CG2-CG2 4.27Å; L317-I321 HydrophobicContact CB-CD1 3.7Å; L317-I321 HydrophobicContact CB-CG1 4.23Å; L317-I321 HydrophobicContact CD1-CD1 4.1Å; L317-I321 HydrophobicContact CG-CD1 4.5Å; L317-I321 PolarHBondContact O-N 3.23Å; I321-L323 HydrophobicContact CG2-CD1 4.04Å; I321-L323 HydrophobicContact CG2-CG 4.32Å
322	T	98.6	Very high	97.3	Very high	50 Å²	50	60.1 Å²	60.1	31%	0.307	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	111.2	171.4	-55	0	0	0	0	109.5	K295 V296 I297 A298 I324	K295-T322 WeakPolarHBondContact CE-OG1 3.32Å; K295-T322 PolarHBondContact NZ-OG1 2.87Å; V296-T322 PolarHBondContact O-N 2.95Å; I297-T322 CarbonylContact C-O 3.51Å; I297-T322 WeakPolarHBondContact CA-O 3.16Å; A298-T322 PolarHBondContact N-O 2.88Å; T322-I324 HydrophobicContact CG2-CG1 4.36Å
323	L	98.6	Very high	97.2	Very high	30 Å²	30	60.4 Å²	60.4	16%	0.157	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	140	175.2	-57.6	91	0	0	0	110.8	A298 I305 A308 M309 V312 I321	A298-L323 HydrophobicContact CB-CG 4.2Å; A298-L323 CarbonylContact O-C 3.52Å; A298-L323 WeakPolarHBondContact O-CA 3.11Å; I305-L323 HydrophobicContact CD1-CB 4.15Å; I305-L323 HydrophobicContact CG1-CB 4.12Å; I305-L323 HydrophobicContact CG1-CD2 3.96Å; A308-L323 HydrophobicContact CB-CD2 3.49Å; A308-L323 VanDerWaalsContact CB-CD2 3.49Å; M309-L323 HydrophobicContact CE-CB 4.37Å; M309-L323 HydrophobicContact CG-CB 4.09Å; M309-L323 HydrophobicContact CG-CD1 4.12Å; M309-L323 HydrophobicContact CG-CD2 4.07Å; M309-L323 HydrophobicContact CG-CG 4.32Å; V312-L323 HydrophobicContact CB-CD1 4.19Å; V312-L323 HydrophobicContact CG1-CD1 4.17Å; V312-L323 HydrophobicContact CG2-CD1 4.15Å; I321-L323 HydrophobicContact CG2-CD1 4.04Å; I321-L323 HydrophobicContact CG2-CG 4.32Å
324	I	98.3	Very high	97	Very high	38 Å²	38	58 Å²	58	20%	0.195	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	120.8	-179.4	-52.4	177.8	0	0	0	108.6	I297 A298 V299 D300 I305 T322 I331 L333 P334	I297-I324 HydrophobicContact CG2-CD1 3.67Å; I297-I324 HydrophobicContact CG2-CG1 4.38Å; A298-I324 PolarHBondContact O-N 3.25Å; V299-I324 WeakPolarHBondContact CA-O 3.31Å; D300-I324 PolarHBondContact N-O 3.5Å; I305-I324 WeakPolarHBondContact CD1-O 3.24Å; T322-I324 HydrophobicContact CG2-CG1 4.36Å; I324-I331 HydrophobicContact CB-CD1 4.31Å; I324-I331 HydrophobicContact CG2-CD1 3.83Å; I324-I331 HydrophobicContact CG2-CG2 4.36Å; I324-L333 HydrophobicContact CD1-CD2 4.47Å; I324-P334 HydrophobicContact CD1-CG 4.19Å
325	K	97.4	Very high	96.9	Very high	63 Å²	63	55.9 Å²	55.9	27%	0.274	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	130.7	173.8	-166.5	173.6	-159.6	-71	0	110	D300 Q301 E303 I305 Y306	D300-K325 CarbonylContact O-C 3.58Å; D300-K325 VanDerWaalsContact O-CA 3.26Å; D300-K325 WeakPolarHBondContact O-CA 3.48Å; Q301-K325 WeakPolarHBondContact O-CE 3.33Å; Q301-K325 PolarHBondContact O-NZ 2.82Å; E303-K325 WeakPolarHBondContact OE1-CE 3.36Å; E303-K325 IonicContact OE1-NZ 2.7Å; E303-K325 PolarHBondContact OE1-NZ 3.44Å; I305-K325 HydrophobicContact CD1-CB 4.35Å; I305-K325 HydrophobicContact CG2-CB 3.98Å; I305-K325 HydrophobicContact CG2-CD 3.99Å; I305-K325 HydrophobicContact CG2-CG 3.89Å; Y306-K325 HydrophobicContact CE2-CD 4Å; Y306-K325 WeakPolarHBondContact OH-CD 3.16Å
326	G	95.4	Very high	96.8	Very high	8 Å²	8	61.4 Å²	61.4	8%	0.082	31%	0.309	C	S	.	.	S	Bend	trans	152.2	158.7	178.9	0	0	0	0	0	113.5	V299 D300 Q301	V299-G326 WeakPolarHBondContact CG1-O 3.45Å; D300-G326 CarbonylContact C-O 3.6Å; D300-G326 PolarHBondContact O-N 2.84Å; Q301-G326 PolarHBondContact N-O 3.4Å
327	R	94.8	Very high	96.8	Very high	18 Å²	18	59.1 Å²	59.1	7%	0.068	30%	0.297	C	S	.	.			trans	-68.1	144.3	160.2	-55.9	-167	-57.8	174.1	4.2	109.3	L227 D232 F236 Q301 E329 D330 I331	L227-R327 PolarHBondContact O-NH1 3.39Å; L227-R327 PolarHBondContact O-NH2 3.44Å; D232-R327 IonicContact OD2-NH1 2.67Å; F236-R327 HydrophobicContact CE2-CG 3.98Å; F236-R327 HydrophobicContact CZ-CG 3.97Å; Q301-R327 HydrophobicContact CB-CG 4Å; Q301-R327 HydrophobicContact CG-CG 3.81Å; R327-E329 WeakPolarHBondContact CB-OE2 3.48Å; R327-E329 PolarHBondContact O-N 3.27Å; R327-D330 IonicContact CZ-OD2 2.69Å; R327-D330 IonicContact NE-OD2 3.47Å; R327-D330 PolarHBondContact NE-OD2 3.21Å; R327-D330 IonicContact NH2-OD1 2.67Å; R327-D330 IonicContact NH2-OD2 2.96Å; R327-D330 PolarHBondContact NH2-OD2 3.13Å; R327-D330 PolarHBondContact O-N 3.13Å; R327-I331 WeakPolarHBondContact O-CG1 3.39Å; R327-I331 PolarHBondContact O-N 3.12Å
328	I	96.7	Very high	96.8	Very high	5 Å²	5	58.3 Å²	58.3	3%	0.026	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-21	-174.7	-172.9	55.2	0	0	0	112.6	L275 V277 V299 I331 L333 S358 Y361 A362 Y366	L275-I328 HydrophobicContact CD2-CD1 4.23Å; V277-I328 HydrophobicContact CG1-CB 4.39Å; V277-I328 HydrophobicContact CG1-CG2 4.18Å; V299-I328 HydrophobicContact CG1-CB 4.32Å; V299-I328 HydrophobicContact CG1-CD1 4.32Å; V299-I328 HydrophobicContact CG2-CD1 4.27Å; I328-I331 HydrophobicContact CD1-CD1 4.17Å; I328-I331 HydrophobicContact CD1-CG1 4.23Å; I328-L333 HydrophobicContact CD1-CD2 3.89Å; I328-L333 HydrophobicContact CD1-CG 4.4Å; I328-S358 WeakPolarHBondContact CG2-O 3.36Å; I328-Y361 HydrophobicContact CG2-CD1 4.4Å; I328-Y361 WeakPolarHBondContact O-CE1 3.26Å; I328-A362 HydrophobicContact CG1-CB 3.86Å; I328-Y366 HydrophobicContact CD1-CD2 4.2Å; I328-Y366 HydrophobicContact CD1-CE2 3.99Å; I328-Y366 HydrophobicContact CG1-CE2 4.47Å
329	E	95.8	Very high	96.8	Very high	27 Å²	27	56.6 Å²	56.6	13%	0.126	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-34.3	176.3	-61.5	80.4	178.5	0	0	113.2	A225 R327 S358 Y361	A225-E329 HydrophobicContact CB-CG 3.92Å; R327-E329 WeakPolarHBondContact CB-OE2 3.48Å; R327-E329 PolarHBondContact O-N 3.27Å; E329-S358 VanDerWaalsContact OE1-CA 3.24Å; E329-S358 WeakPolarHBondContact OE1-CA 3.2Å; E329-S358 WeakPolarHBondContact OE1-CB 3.32Å; E329-S358 PolarHBondContact OE1-OG 2.87Å; E329-Y361 HydrophobicContact CB-CE2 4.43Å; E329-Y361 HydrophobicContact CG-CD1 4.24Å; E329-Y361 HydrophobicContact CG-CD2 4.1Å; E329-Y361 HydrophobicContact CG-CE2 4.33Å; E329-Y361 HydrophobicContact CG-CG 4.05Å; E329-Y361 PolarHBondContact O-OH 3.1Å
330	D	95	Very high	96.8	Very high	98 Å²	98	50 Å²	50	52%	0.524	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-25.4	-173.9	-64.4	-51.6	0	0	0	113	R327	R327-D330 IonicContact CZ-OD2 2.69Å; R327-D330 IonicContact NE-OD2 3.47Å; R327-D330 PolarHBondContact NE-OD2 3.21Å; R327-D330 IonicContact NH2-OD1 2.67Å; R327-D330 IonicContact NH2-OD2 2.96Å; R327-D330 PolarHBondContact NH2-OD2 3.13Å; R327-D330 PolarHBondContact O-N 3.13Å
331	I	94.2	Very high	96.9	Very high	28 Å²	28	47.5 Å²	47.5	14%	0.144	24%	0.238	C	C	.	.			trans	-86.2	154.6	179.9	67.9	170.6	0	0	0	113.2	V299 I324 R327 I328 L333 Y366	V299-I331 HydrophobicContact CB-CD1 4.25Å; V299-I331 HydrophobicContact CG1-CD1 3.53Å; V299-I331 HydrophobicContact CG2-CD1 3.64Å; I324-I331 HydrophobicContact CB-CD1 4.31Å; I324-I331 HydrophobicContact CG2-CD1 3.83Å; I324-I331 HydrophobicContact CG2-CG2 4.36Å; R327-I331 WeakPolarHBondContact O-CG1 3.39Å; R327-I331 PolarHBondContact O-N 3.12Å; I328-I331 HydrophobicContact CD1-CD1 4.17Å; I328-I331 HydrophobicContact CD1-CG1 4.23Å; I331-L333 HydrophobicContact CD1-CD2 3.82Å; I331-L333 HydrophobicContact CG1-CD2 4.37Å; I331-Y366 PolarHBondContact O-OH 3.42Å
332	K	94.3	Very high	96.9	Very high	187 Å²	187	47.3 Å²	47.3	81%	0.813	24%	0.237	S	C	*	.			trans	-105	120.3	165.3	-174.6	168.3	-176.5	169.7	0	110.8
333	L	96.2	Very high	96.9	Very high	7 Å²	7	45 Å²	45	4%	0.037	22%	0.223	C	C	.	.			trans	-64.3	150	176.8	-59.7	-170.8	0	0	0	112.2	L275 I297 V299 I324 I328 I331 V335 Y366	L275-L333 HydrophobicContact CD1-CD1 3.86Å; L275-L333 HydrophobicContact CD1-CD2 4.06Å; L275-L333 HydrophobicContact CD2-CD1 3.9Å; L275-L333 HydrophobicContact CG-CD1 4.45Å; I297-L333 HydrophobicContact CG2-CD2 4.09Å; V299-L333 HydrophobicContact CG2-CD2 4.09Å; I324-L333 HydrophobicContact CD1-CD2 4.47Å; I328-L333 HydrophobicContact CD1-CD2 3.89Å; I328-L333 HydrophobicContact CD1-CG 4.4Å; I331-L333 HydrophobicContact CD1-CD2 3.82Å; I331-L333 HydrophobicContact CG1-CD2 4.37Å; L333-V335 HydrophobicContact CB-CG2 4.42Å; L333-V335 PolarHBondContact O-N 3.49Å; L333-Y366 HydrophobicContact CB-CD1 4.26Å; L333-Y366 HydrophobicContact CB-CE1 3.97Å; L333-Y366 HydrophobicContact CD1-CD1 3.69Å; L333-Y366 HydrophobicContact CD1-CD2 3.7Å; L333-Y366 HydrophobicContact CD1-CE1 4.05Å; L333-Y366 HydrophobicContact CD1-CE2 4.07Å; L333-Y366 HydrophobicContact CD1-CG 3.49Å; L333-Y366 VanDerWaalsContact CD1-CG 3.49Å; L333-Y366 HydrophobicContact CG-CD1 3.97Å; L333-Y366 HydrophobicContact CG-CD2 4.06Å; L333-Y366 HydrophobicContact CG-CE1 3.79Å; L333-Y366 HydrophobicContact CG-CE2 3.89Å; L333-Y366 HydrophobicContact CG-CG 4.09Å
334	P	94.5	Very high	96.8	Very high	75 Å²	75	44.5 Å²	44.5	49%	0.487	22%	0.22	S	C	.	.	S	Bend	trans	-75.5	16	177.3	32.7	-38.4	0	0	0	113.8	I297 I324	I297-P334 HydrophobicContact CD1-CG 3.95Å; I297-P334 HydrophobicContact CG1-CG 4.32Å; I324-P334 HydrophobicContact CD1-CG 4.19Å
335	V	95.8	Very high	96.7	Very high	42 Å²	42	43 Å²	43	26%	0.255	21%	0.212	S	C	.	.	S	Bend	trans	-144.2	153.9	176.7	-62.9	0	0	0	0	108.5	V273 I297 L333 K337 V338	V273-V335 HydrophobicContact CG1-CG2 4.49Å; I297-V335 HydrophobicContact CD1-CB 4.44Å; I297-V335 HydrophobicContact CD1-CG1 4.1Å; I297-V335 HydrophobicContact CD1-CG2 3.51Å; L333-V335 HydrophobicContact CB-CG2 4.42Å; L333-V335 PolarHBondContact O-N 3.49Å; V335-K337 WeakPolarHBondContact CG2-O 3.5Å; V335-V338 HydrophobicContact CG2-CG1 3.82Å
336	E	96.5	Very high	96.8	Very high	176 Å²	176	40.4 Å²	40.4	82%	0.822	20%	0.201	S	C	*	.	S	Bend	trans	-73.7	-39.7	177.1	-171.3	178.1	169.8	0	0	112.1
337	K	98.3	Very high	96.7	Very high	89 Å²	89	40.1 Å²	40.1	39%	0.387	20%	0.198	S	C	.	.			trans	-144	158.4	-179	-69.6	-61.6	-161.8	167.9	0	112	V335 C365 Y366 L367 A368	V335-K337 WeakPolarHBondContact CG2-O 3.5Å; K337-C365 PolarHBondContact NZ-O 3.13Å; K337-Y366 CarbonylContact C-O 3.56Å; K337-Y366 WeakPolarHBondContact CA-O 3.27Å; K337-Y366 VanDerWaalsContact CD-O 3.26Å; K337-Y366 WeakPolarHBondContact CD-O 3.28Å; K337-L367 WeakPolarHBondContact CD-O 3.46Å; K337-L367 VanDerWaalsContact CE-O 3.3Å; K337-L367 WeakPolarHBondContact CE-O 3.36Å; K337-L367 PolarHBondContact NZ-O 3.42Å; K337-A368 HydrophobicContact CB-CB 4.04Å
338	V	98.8	Very high	96.8	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	153.5	173.4	-58.2	0	0	0	0	111.4	V273 L275 V335 I341 Y366 L367 A368	V273-V338 HydrophobicContact CG1-CB 4.3Å; V273-V338 HydrophobicContact CG1-CG1 3.85Å; L275-V338 HydrophobicContact CB-CB 4.43Å; L275-V338 HydrophobicContact CB-CG1 4.16Å; L275-V338 HydrophobicContact CB-CG2 3.93Å; V335-V338 HydrophobicContact CG2-CG1 3.82Å; V338-I341 HydrophobicContact CG2-CG1 3.96Å; V338-Y366 PolarHBondContact N-O 3.43Å; V338-L367 HydrophobicContact CG2-CD1 4.38Å; V338-A368 VanDerWaalsContact O-CB 3.27Å; V338-A368 WeakPolarHBondContact O-CB 3.16Å; V338-A368 PolarHBondContact O-N 2.94Å
339	D	98.7	Very high	96.8	Very high	47 Å²	47	42.1 Å²	42.1	25%	0.251	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-35.4	177.3	-63.9	-91.3	0	0	0	112.4	K272 V273 G371 S372	K272-D339 HydrophobicContact CB-CB 3.93Å; K272-D339 HydrophobicContact CD-CB 3.88Å; K272-D339 WeakPolarHBondContact CD-OD1 3.41Å; K272-D339 WeakPolarHBondContact CE-OD1 3.4Å; K272-D339 HydrophobicContact CG-CB 4.1Å; K272-D339 IonicContact NZ-OD1 3.13Å; K272-D339 PolarHBondContact NZ-OD1 2.95Å; V273-D339 PolarHBondContact N-OD2 3.09Å; V273-D339 PolarHBondContact O-N 3.12Å; D339-G371 WeakPolarHBondContact O-CA 3.33Å; D339-S372 PolarHBondContact O-N 3.25Å
340	I	98.8	Very high	96.9	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	137.5	-171.8	-62.9	170.2	0	0	0	109.1	V268 F269 K272 V273 V274 L275 S372 Y374	V268-I340 HydrophobicContact CG1-CD1 3.86Å; V268-I340 WeakPolarHBondContact O-CD1 3.43Å; F269-I340 HydrophobicContact CD1-CD1 3.79Å; F269-I340 HydrophobicContact CE1-CD1 3.82Å; F269-I340 HydrophobicContact CE1-CG2 4.1Å; F269-I340 HydrophobicContact CG-CD1 4.25Å; F269-I340 HydrophobicContact CZ-CD1 4.3Å; F269-I340 HydrophobicContact CZ-CG2 4.49Å; K272-I340 HydrophobicContact CB-CD1 4.25Å; K272-I340 HydrophobicContact CG-CD1 4.16Å; V273-I340 PolarHBondContact O-N 2.88Å; V274-I340 CarbonylContact C-O 3.46Å; V274-I340 WeakPolarHBondContact CA-O 3.16Å; V274-I340 HydrophobicContact CG1-CB 4.4Å; V274-I340 HydrophobicContact CG1-CG2 4.21Å; V274-I340 HydrophobicContact CG2-CB 4.27Å; V274-I340 HydrophobicContact CG2-CD1 4.39Å; L275-I340 PolarHBondContact N-O 3.34Å; I340-S372 WeakPolarHBondContact CA-O 3.12Å; I340-Y374 HydrophobicContact CG2-CD2 3.85Å; I340-Y374 HydrophobicContact CG2-CE2 4.17Å
341	I	98.9	Very high	97	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	126.1	159.2	-65.8	167.4	0	0	0	107.5	L275 V277 V338 V359 A362 R363 L367 S372 V373 Y374	L275-I341 HydrophobicContact CB-CG1 4.19Å; L275-I341 HydrophobicContact CD2-CG1 4.18Å; L275-I341 WeakPolarHBondContact O-CA 3.23Å; V277-I341 HydrophobicContact CG2-CG2 4.05Å; V338-I341 HydrophobicContact CG2-CG1 3.96Å; I341-V359 HydrophobicContact CG2-CG1 4.26Å; I341-A362 VanDerWaalsContact CD1-C 3.45Å; I341-A362 HydrophobicContact CD1-CB 4.08Å; I341-A362 WeakPolarHBondContact CD1-O 3.49Å; I341-R363 VanDerWaalsContact CD1-CA 3.43Å; I341-R363 HydrophobicContact CD1-CB 4.13Å; I341-L367 HydrophobicContact CD1-CB 4.06Å; I341-L367 HydrophobicContact CD1-CD1 4.2Å; I341-L367 HydrophobicContact CG1-CD1 4.1Å; I341-S372 PolarHBondContact N-O 2.94Å; I341-V373 HydrophobicContact CB-CG1 4.44Å; I341-V373 HydrophobicContact CB-CG2 4.37Å; I341-V373 HydrophobicContact CD1-CG2 4.49Å; I341-V373 HydrophobicContact CG2-CG1 4.29Å; I341-V373 CarbonylContact O-C 3.57Å; I341-V373 WeakPolarHBondContact O-CA 3.33Å; I341-Y374 PolarHBondContact O-N 3.49Å
342	I	98.6	Very high	96.9	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	142.3	162.3	-165.1	73.6	0	0	0	107.5	Y258 F261 M262 V274 L275 D276 V277 L284	Y258-I342 HydrophobicContact CD1-CD1 3.76Å; Y258-I342 HydrophobicContact CD1-CG1 4Å; Y258-I342 HydrophobicContact CE1-CD1 3.74Å; Y258-I342 HydrophobicContact CE1-CG1 3.96Å; F261-I342 HydrophobicContact CD1-CD1 4.42Å; F261-I342 HydrophobicContact CE1-CD1 3.85Å; M262-I342 HydrophobicContact CE-CB 4.41Å; M262-I342 HydrophobicContact CE-CD1 3.74Å; M262-I342 HydrophobicContact CE-CG1 3.58Å; V274-I342 HydrophobicContact CG1-CG2 3.96Å; L275-I342 PolarHBondContact O-N 2.97Å; D276-I342 WeakPolarHBondContact CA-O 3.43Å; D276-I342 HydrophobicContact CB-CG2 3.79Å; V277-I342 PolarHBondContact N-O 2.95Å; V277-I342 VanDerWaalsContact N-O 3.08Å; L284-I342 HydrophobicContact CD1-CG1 4.16Å
343	S	98.6	Very high	96.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	150.3	168.8	-178.2	0	0	0	0	109.4	Y258 V277 V359 Y374 P375	Y258-S343 WeakPolarHBondContact CE1-O 3.43Å; Y258-S343 PolarHBondContact OH-O 3.37Å; V277-S343 WeakPolarHBondContact O-CB 3.44Å; V277-S343 PolarHBondContact O-OG 2.85Å; S343-V359 VanDerWaalsContact OG-CG2 3.31Å; S343-V359 WeakPolarHBondContact OG-CG2 3.5Å; S343-Y374 PolarHBondContact N-O 3.3Å; S343-P375 WeakPolarHBondContact O-CD 3.39Å
344	E	97.8	Very high	96.3	Very high	21 Å²	21	28.4 Å²	28.4	10%	0.098	14%	0.141	C	C	.	.			trans	-111.2	101.3	163.4	-152.7	-71.6	79.5	0	0	105.3	R254 Y258 L284 M346 M355 W495	R254-E344 WeakPolarHBondContact CD-OE2 3.4Å; R254-E344 HydrophobicContact CG-CG 4.32Å; R254-E344 IonicContact CZ-OE2 2.74Å; R254-E344 IonicContact NE-OE2 2.88Å; R254-E344 IonicContact NH1-OE2 3.04Å; R254-E344 PolarHBondContact NH1-OE2 3.05Å; Y258-E344 HydrophobicContact CE2-CB 4.45Å; Y258-E344 HydrophobicContact CE2-CG 3.78Å; Y258-E344 WeakPolarHBondContact OH-CA 3.4Å; L284-E344 HydrophobicContact CD1-CB 4.01Å; E344-M346 HydrophobicContact CG-CE 4.04Å; E344-M346 VanDerWaalsContact OE1-CE 3.27Å; E344-M346 WeakPolarHBondContact OE1-CE 3.5Å; E344-M346 PolarHBondContact OE1-N 2.87Å; E344-M346 VanDerWaalsContact OE1-N 3.12Å; E344-M355 WeakPolarHBondContact O-CE 3.42Å; E344-W495 WeakPolarHBondContact OE1-CZ2 3.33Å; E344-W495 WeakPolarHBondContact OE2-CZ2 3.24Å
345	W	96.9	Very high	96.2	Very high	6 Å²	6	26 Å²	26	2%	0.023	12%	0.123	C	C	.	.			trans	-121.2	-0.7	-167.8	56.2	-96.3	0	0	0	112.5	G347 L350 L351 M355 L356 V359 C378	W345-G347 PolarHBondContact O-N 3.27Å; W345-L350 HydrophobicContact CH2-CD1 3.65Å; W345-L350 HydrophobicContact CH2-CD2 4.25Å; W345-L350 HydrophobicContact CH2-CG 3.89Å; W345-L350 HydrophobicContact CZ3-CD1 3.79Å; W345-L350 HydrophobicContact CZ3-CG 3.88Å; W345-L350 WeakPolarHBondContact CZ3-O 3.38Å; W345-L351 HydrophobicContact CZ3-CD2 4.37Å; W345-M355 HydrophobicContact CB-CB 4.2Å; W345-M355 HydrophobicContact CB-CE 4.17Å; W345-M355 HydrophobicContact CB-CG 3.88Å; W345-M355 HydrophobicContact CB-SD 4.36Å; W345-L356 HydrophobicContact CD2-CB 4.14Å; W345-L356 HydrophobicContact CD2-CD1 3.96Å; W345-L356 HydrophobicContact CE3-CB 3.62Å; W345-L356 HydrophobicContact CE3-CD1 4.14Å; W345-L356 HydrophobicContact CE3-CD2 4.31Å; W345-L356 HydrophobicContact CE3-CG 4.22Å; W345-L356 HydrophobicContact CH2-CD1 4.19Å; W345-L356 HydrophobicContact CH2-CD2 3.86Å; W345-L356 HydrophobicContact CH2-CG 4.47Å; W345-L356 HydrophobicContact CZ2-CD1 3.99Å; W345-L356 HydrophobicContact CZ2-CD2 4.45Å; W345-L356 HydrophobicContact CZ3-CB 3.93Å; W345-L356 HydrophobicContact CZ3-CD1 4.26Å; W345-L356 HydrophobicContact CZ3-CD2 3.79Å; W345-L356 HydrophobicContact CZ3-CG 4.21Å; W345-V359 HydrophobicContact CB-CG2 3.87Å; W345-V359 HydrophobicContact CG-CG2 4.1Å; W345-C378 HydrophobicContact CH2-CB 4.36Å; W345-C378 VanDerWaalsContact CZ2-SG 3.55Å
346	M	97.8	Very high	96.2	Very high	8 Å²	8	24.1 Å²	24.1	4%	0.039	11%	0.112	C	C	.	.			trans	-80.5	117.2	-164	-65.3	85.3	64.1	0	0	109.8	Y258 E344 L350 P375 F470 I472 F484 W495	Y258-M346 HydrophobicContact CE2-CE 4.27Å; Y258-M346 WeakPolarHBondContact OH-CE 3.24Å; E344-M346 HydrophobicContact CG-CE 4.04Å; E344-M346 VanDerWaalsContact OE1-CE 3.27Å; E344-M346 WeakPolarHBondContact OE1-CE 3.5Å; E344-M346 PolarHBondContact OE1-N 2.87Å; E344-M346 VanDerWaalsContact OE1-N 3.12Å; M346-L350 HydrophobicContact CB-CD1 3.99Å; M346-L350 HydrophobicContact CG-CD1 3.51Å; M346-P375 HydrophobicContact SD-CG 4Å; M346-F470 HydrophobicContact CB-CE2 4.12Å; M346-F470 HydrophobicContact CB-CZ 3.89Å; M346-F470 HydrophobicContact CG-CE2 4.34Å; M346-I472 HydrophobicContact CE-CD1 4.33Å; M346-I472 HydrophobicContact CE-CG1 4.31Å; M346-I472 HydrophobicContact CG-CD1 3.91Å; M346-I472 HydrophobicContact SD-CD1 4.38Å; M346-F484 HydrophobicContact CE-CZ 4.02Å; M346-W495 HydrophobicContact CB-CZ2 3.93Å; M346-W495 HydrophobicContact CE-CH2 3.67Å; M346-W495 HydrophobicContact CE-CZ2 3.83Å; M346-W495 PolarHBondContact O-NE1 3.12Å
347	G	94.5	Very high	96.2	Very high	2 Å²	2	16.2 Å²	16.2	2%	0.021	8%	0.075	C	C	.	.	B	Isolated β-bridge	trans	-81.8	-179.4	171.8	0	0	0	0	0	112.6	W345 L350 F352 F470	W345-G347 PolarHBondContact O-N 3.27Å; G347-L350 PolarHBondContact N-O 2.78Å; G347-L350 VanDerWaalsContact N-O 3.14Å; G347-L350 VanDerWaalsContact O-CA 3.29Å; G347-L350 WeakPolarHBondContact O-CA 3.34Å; G347-L350 PolarHBondContact O-N 2.61Å; G347-F352 WeakPolarHBondContact CA-O 3.4Å; G347-F470 WeakPolarHBondContact O-CE1 3.39Å
348	Y	95.3	Very high	96.1	Very high	62 Å²	62	12.7 Å²	12.7	24%	0.243	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	144.5	162.2	-55.7	-52.9	0	0	0	110.9	L350 F352 V419	Y348-L350 PolarHBondContact O-N 2.82Å; Y348-F352 AromaticContact CD2-CD1 3.59Å; Y348-F352 HydrophobicContact CD2-CD1 3.59Å; Y348-F352 AromaticContact CD2-CE1 3.8Å; Y348-F352 HydrophobicContact CD2-CE1 3.8Å; Y348-F352 HydrophobicContact CE2-CD1 4.46Å; Y348-F352 HydrophobicContact CE2-CE1 4.34Å; Y348-F352 HydrophobicContact CG-CD1 4.26Å; Y348-F352 WeakPolarHBondContact O-CB 3.41Å; Y348-F352 PolarHBondContact O-N 3.18Å; Y348-F352 VanDerWaalsContact O-N 3.14Å; Y348-V419 HydrophobicContact CD1-CB 4.47Å; Y348-V419 HydrophobicContact CD1-CG1 3.44Å; Y348-V419 VanDerWaalsContact CD1-CG1 3.44Å; Y348-V419 HydrophobicContact CD1-CG2 4.26Å; Y348-V419 HydrophobicContact CD2-CG1 4.39Å; Y348-V419 HydrophobicContact CD2-CG2 4.06Å; Y348-V419 HydrophobicContact CE1-CG1 3.55Å; Y348-V419 HydrophobicContact CE2-CG1 4.49Å; Y348-V419 HydrophobicContact CG-CB 4.49Å; Y348-V419 HydrophobicContact CG-CG1 3.89Å; Y348-V419 HydrophobicContact CG-CG2 3.83Å
349	F	97.4	Very high	96.1	Very high	3 Å²	3	12.6 Å²	12.6	1%	0.013	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	32	-169.7	-161.6	-129.3	0	0	0	114.5	L351 I380 L382 T498 F500 I518 V520 V532 L545	F349-L351 PolarHBondContact O-N 3.04Å; F349-I380 HydrophobicContact CD2-CG2 4.26Å; F349-I380 HydrophobicContact CE2-CG2 3.52Å; F349-I380 HydrophobicContact CZ-CG2 3.68Å; F349-L382 HydrophobicContact CE2-CD2 4.11Å; F349-L382 HydrophobicContact CZ-CD2 4.27Å; F349-T498 HydrophobicContact CB-CG2 4.27Å; F349-T498 PolarHBondContact N-OG1 3.06Å; F349-F500 HydrophobicContact CD1-CZ 4.15Å; F349-F500 HydrophobicContact CD2-CE2 4.33Å; F349-F500 HydrophobicContact CD2-CZ 4.2Å; F349-F500 HydrophobicContact CE1-CZ 4.15Å; F349-F500 HydrophobicContact CE2-CE2 4.08Å; F349-F500 HydrophobicContact CE2-CZ 4.23Å; F349-F500 HydrophobicContact CG-CZ 4.19Å; F349-F500 HydrophobicContact CZ-CE2 4.24Å; F349-F500 HydrophobicContact CZ-CZ 4.2Å; F349-I518 HydrophobicContact CE1-CD1 4.19Å; F349-I518 HydrophobicContact CZ-CD1 3.72Å; F349-V520 HydrophobicContact CE1-CG2 3.83Å; F349-V532 HydrophobicContact CD1-CG2 3.81Å; F349-V532 HydrophobicContact CE1-CG1 4.1Å; F349-V532 HydrophobicContact CE1-CG2 3.72Å; F349-L545 HydrophobicContact CB-CD2 3.98Å
350	L	98.1	Very high	96.1	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.05	C	C	.	.	B	Isolated β-bridge	trans	66.9	-42.5	-175.6	-170.4	67.2	0	0	0	115.9	W345 M346 G347 Y348 C378 I380 L437 F470 I472	W345-L350 HydrophobicContact CH2-CD1 3.65Å; W345-L350 HydrophobicContact CH2-CD2 4.25Å; W345-L350 HydrophobicContact CH2-CG 3.89Å; W345-L350 HydrophobicContact CZ3-CD1 3.79Å; W345-L350 HydrophobicContact CZ3-CG 3.88Å; W345-L350 WeakPolarHBondContact CZ3-O 3.38Å; M346-L350 HydrophobicContact CB-CD1 3.99Å; M346-L350 HydrophobicContact CG-CD1 3.51Å; G347-L350 PolarHBondContact N-O 2.78Å; G347-L350 VanDerWaalsContact N-O 3.14Å; G347-L350 VanDerWaalsContact O-CA 3.29Å; G347-L350 WeakPolarHBondContact O-CA 3.34Å; G347-L350 PolarHBondContact O-N 2.61Å; Y348-L350 PolarHBondContact O-N 2.82Å; L350-C378 HydrophobicContact CD1-CB 4.2Å; L350-C378 HydrophobicContact CD2-CB 3.74Å; L350-I380 HydrophobicContact CB-CD1 4.28Å; L350-I380 HydrophobicContact CB-CG1 4.02Å; L350-I380 HydrophobicContact CD2-CD1 4.05Å; L350-I380 HydrophobicContact CD2-CG1 3.54Å; L350-I380 HydrophobicContact CG-CG1 4.42Å; L350-L437 HydrophobicContact CD2-CD1 3.97Å; L350-F470 HydrophobicContact CB-CB 4Å; L350-F470 HydrophobicContact CB-CD1 3.85Å; L350-F470 HydrophobicContact CB-CE1 4.45Å; L350-F470 HydrophobicContact CB-CG 4.01Å; L350-F470 HydrophobicContact CD1-CB 4.21Å; L350-F470 HydrophobicContact CD1-CD1 4.32Å; L350-F470 HydrophobicContact CD1-CD2 3.88Å; L350-F470 HydrophobicContact CD1-CE2 4.19Å; L350-F470 HydrophobicContact CD1-CG 3.92Å; L350-F470 HydrophobicContact CD2-CB 4.49Å; L350-F470 HydrophobicContact CG-CB 4.46Å; L350-I472 HydrophobicContact CD1-CD1 3.85Å
351	L	96.6	Very high	96	Very high	9 Å²	9	12.8 Å²	12.8	5%	0.047	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-0.5	-166.5	-68.3	175.5	0	0	0	115	W345 F349 S354 L356 I380 L437 L447 F449 L530	W345-L351 HydrophobicContact CZ3-CD2 4.37Å; F349-L351 PolarHBondContact O-N 3.04Å; L351-S354 PolarHBondContact O-N 3.49Å; L351-L356 HydrophobicContact CD2-CD2 3.8Å; L351-I380 HydrophobicContact CD1-CD1 3.91Å; L351-I380 HydrophobicContact CG-CD1 4.27Å; L351-L437 HydrophobicContact CD1-CD1 4.48Å; L351-L437 HydrophobicContact CD2-CD1 3.93Å; L351-L447 HydrophobicContact CD2-CD2 4.26Å; L351-F449 HydrophobicContact CD1-CE1 4.01Å; L351-L530 HydrophobicContact CB-CD1 3.91Å
352	F	92.4	Very high	96	Very high	17 Å²	17	12.8 Å²	12.8	8%	0.075	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-61.2	157.6	171.6	-178	-116.9	0	0	0	110.9	G347 Y348 S354 R528 L530 L545 Q546	G347-F352 WeakPolarHBondContact CA-O 3.4Å; Y348-F352 AromaticContact CD2-CD1 3.59Å; Y348-F352 HydrophobicContact CD2-CD1 3.59Å; Y348-F352 AromaticContact CD2-CE1 3.8Å; Y348-F352 HydrophobicContact CD2-CE1 3.8Å; Y348-F352 HydrophobicContact CE2-CD1 4.46Å; Y348-F352 HydrophobicContact CE2-CE1 4.34Å; Y348-F352 HydrophobicContact CG-CD1 4.26Å; Y348-F352 WeakPolarHBondContact O-CB 3.41Å; Y348-F352 PolarHBondContact O-N 3.18Å; Y348-F352 VanDerWaalsContact O-N 3.14Å; F352-S354 PolarHBondContact O-N 3.36Å; F352-R528 WeakPolarHBondContact CD2-O 3.48Å; F352-L530 HydrophobicContact CB-CD1 4.42Å; F352-L545 HydrophobicContact CB-CD2 3.87Å; F352-L545 HydrophobicContact CB-CG 4.43Å; F352-L545 HydrophobicContact CD2-CB 4.44Å; F352-L545 HydrophobicContact CD2-CD2 4.14Å; F352-L545 HydrophobicContact CD2-CG 3.78Å; F352-L545 HydrophobicContact CE2-CG 4.23Å; F352-L545 WeakPolarHBondContact CE2-O 3.14Å; F352-L545 HydrophobicContact CG-CD2 4.08Å; F352-L545 HydrophobicContact CG-CG 4.1Å; F352-Q546 VanDerWaalsContact CZ-C 3.46Å; F352-Q546 WeakPolarHBondContact CZ-OXT 3.49Å
353	E	87.6	Confident	96	Very high	30 Å²	30	13.7 Å²	13.7	14%	0.14	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	60.8	-6.1	-172.3	-63	156.1	-134.2	0	0	115.1	Y235 Y239 M355 R528	Y235-E353 HydrophobicContact CD2-CG 4.38Å; Y235-E353 HydrophobicContact CE2-CB 3.81Å; Y235-E353 HydrophobicContact CE2-CG 3.73Å; Y235-E353 WeakPolarHBondContact CE2-OE2 3.49Å; Y235-E353 PolarHBondContact OH-OE2 3.43Å; Y239-E353 PolarHBondContact OH-OE2 3.1Å; Y239-E353 VanDerWaalsContact OH-OE2 3.06Å; E353-M355 PolarHBondContact O-N 3.33Å; E353-R528 WeakPolarHBondContact CA-O 3.42Å; E353-R528 PolarHBondContact N-O 3.32Å; E353-R528 WeakPolarHBondContact O-CD 3.09Å; E353-R528 PolarHBondContact O-NH1 2.9Å
354	S	89.9	Confident	96	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.021	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	53	17.8	174.5	-67.1	0	0	0	0	116.4	L351 F352 L356 D357 K522 P527	L351-S354 PolarHBondContact O-N 3.49Å; F352-S354 PolarHBondContact O-N 3.36Å; S354-L356 PolarHBondContact O-N 3.23Å; S354-D357 WeakPolarHBondContact O-CB 3.14Å; S354-D357 PolarHBondContact O-N 3.22Å; S354-K522 WeakPolarHBondContact OG-CE 3.31Å; S354-P527 VanDerWaalsContact CB-O 3.29Å; S354-P527 WeakPolarHBondContact CB-O 3.37Å; S354-P527 PolarHBondContact OG-O 2.88Å
355	M	93.3	Very high	95.9	Very high	25 Å²	25	20.2 Å²	20.2	12%	0.123	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.8	-176.2	-179	171.6	156.3	0	0	113.7	V277 E344 W345 E353 D357 S358 V359	V277-M355 WeakPolarHBondContact O-CE 3.25Å; E344-M355 WeakPolarHBondContact O-CE 3.42Å; W345-M355 HydrophobicContact CB-CB 4.2Å; W345-M355 HydrophobicContact CB-CE 4.17Å; W345-M355 HydrophobicContact CB-CG 3.88Å; W345-M355 HydrophobicContact CB-SD 4.36Å; E353-M355 PolarHBondContact O-N 3.33Å; M355-D357 PolarHBondContact O-N 3.48Å; M355-S358 PolarHBondContact O-N 2.83Å; M355-V359 PolarHBondContact O-N 2.69Å
356	L	96.5	Very high	96	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.016	11%	0.106	C	C	.	.	H	α-helix	trans	-54.2	-33.6	168.4	-176.3	53.8	0	0	0	112.4	W345 L351 S354 S358 V359 L360 L437 L447	W345-L356 HydrophobicContact CD2-CB 4.14Å; W345-L356 HydrophobicContact CD2-CD1 3.96Å; W345-L356 HydrophobicContact CE3-CB 3.62Å; W345-L356 HydrophobicContact CE3-CD1 4.14Å; W345-L356 HydrophobicContact CE3-CD2 4.31Å; W345-L356 HydrophobicContact CE3-CG 4.22Å; W345-L356 HydrophobicContact CH2-CD1 4.19Å; W345-L356 HydrophobicContact CH2-CD2 3.86Å; W345-L356 HydrophobicContact CH2-CG 4.47Å; W345-L356 HydrophobicContact CZ2-CD1 3.99Å; W345-L356 HydrophobicContact CZ2-CD2 4.45Å; W345-L356 HydrophobicContact CZ3-CB 3.93Å; W345-L356 HydrophobicContact CZ3-CD1 4.26Å; W345-L356 HydrophobicContact CZ3-CD2 3.79Å; W345-L356 HydrophobicContact CZ3-CG 4.21Å; L351-L356 HydrophobicContact CD2-CD2 3.8Å; S354-L356 PolarHBondContact O-N 3.23Å; L356-S358 VanDerWaalsContact C-N 3.32Å; L356-S358 PolarHBondContact O-N 3.49Å; L356-V359 HydrophobicContact CD1-CB 4.34Å; L356-V359 CarbonylContact O-C 3.57Å; L356-V359 WeakPolarHBondContact O-CA 3.37Å; L356-V359 WeakPolarHBondContact O-CB 3.46Å; L356-V359 PolarHBondContact O-N 2.99Å; L356-L360 HydrophobicContact CD1-CD2 3.86Å; L356-L360 HydrophobicContact CD1-CG 4.21Å; L356-L360 HydrophobicContact CG-CD2 4.31Å; L356-L360 HydrophobicContact CG-CG 4.18Å; L356-L360 WeakPolarHBondContact O-CG 3.14Å; L356-L360 PolarHBondContact O-N 3.48Å; L356-L437 HydrophobicContact CD2-CD1 4.16Å; L356-L447 HydrophobicContact CB-CD1 4.43Å; L356-L447 HydrophobicContact CD2-CD1 3.86Å; L356-L447 HydrophobicContact CD2-CD2 3.52Å; L356-L447 HydrophobicContact CD2-CG 4.35Å; L356-L447 HydrophobicContact CG-CD1 4.08Å
357	D	95.8	Very high	96	Very high	10 Å²	10	22 Å²	22	5%	0.053	11%	0.109	C	C	.	.	H	α-helix	trans	-57.8	-45.8	179.3	-71.2	18.1	0	0	0	111.3	V224 S354 M355 V359 L360 Y361 L444 L447 K522	V224-D357 HydrophobicContact CB-CB 4.04Å; V224-D357 HydrophobicContact CG2-CB 4.03Å; V224-D357 WeakPolarHBondContact CG2-OD2 3.11Å; S354-D357 WeakPolarHBondContact O-CB 3.14Å; S354-D357 PolarHBondContact O-N 3.22Å; M355-D357 PolarHBondContact O-N 3.48Å; D357-V359 VanDerWaalsContact C-N 3.31Å; D357-V359 PolarHBondContact O-N 2.99Å; D357-L360 PolarHBondContact O-N 2.88Å; D357-Y361 PolarHBondContact O-N 3.41Å; D357-L444 HydrophobicContact CB-CD2 3.82Å; D357-L444 WeakPolarHBondContact OD1-CD2 3.34Å; D357-L447 WeakPolarHBondContact OD1-CD1 3.41Å; D357-K522 IonicContact OD1-NZ 2.74Å; D357-K522 PolarHBondContact OD1-NZ 2.65Å; D357-K522 IonicContact OD2-NZ 3.18Å; D357-K522 PolarHBondContact OD2-NZ 3.09Å
358	S	96.5	Very high	96.2	Very high	14 Å²	14	23.2 Å²	23.2	10%	0.098	12%	0.12	C	C	.	.	H	α-helix	trans	-63.9	-34.6	175.4	-58.5	0	0	0	0	112.6	I328 E329 M355 L356 A362	I328-S358 WeakPolarHBondContact CG2-O 3.36Å; E329-S358 VanDerWaalsContact OE1-CA 3.24Å; E329-S358 WeakPolarHBondContact OE1-CA 3.2Å; E329-S358 WeakPolarHBondContact OE1-CB 3.32Å; E329-S358 PolarHBondContact OE1-OG 2.87Å; M355-S358 PolarHBondContact O-N 2.83Å; L356-S358 VanDerWaalsContact C-N 3.32Å; L356-S358 PolarHBondContact O-N 3.49Å; S358-A362 VanDerWaalsContact O-CB 3.27Å; S358-A362 WeakPolarHBondContact O-CB 3.4Å; S358-A362 PolarHBondContact O-N 3.22Å
359	V	98.3	Very high	96.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-70.8	-36.2	174	-179.3	0	0	0	0	111.5	V277 I341 S343 W345 M355 L356 D357 A362 R363 V373	V277-V359 HydrophobicContact CG1-CG2 4.38Å; I341-V359 HydrophobicContact CG2-CG1 4.26Å; S343-V359 VanDerWaalsContact OG-CG2 3.31Å; S343-V359 WeakPolarHBondContact OG-CG2 3.5Å; W345-V359 HydrophobicContact CB-CG2 3.87Å; W345-V359 HydrophobicContact CG-CG2 4.1Å; M355-V359 PolarHBondContact O-N 2.69Å; L356-V359 HydrophobicContact CD1-CB 4.34Å; L356-V359 CarbonylContact O-C 3.57Å; L356-V359 WeakPolarHBondContact O-CA 3.37Å; L356-V359 WeakPolarHBondContact O-CB 3.46Å; L356-V359 PolarHBondContact O-N 2.99Å; D357-V359 VanDerWaalsContact C-N 3.31Å; D357-V359 PolarHBondContact O-N 2.99Å; V359-A362 PolarHBondContact O-N 2.85Å; V359-R363 WeakPolarHBondContact O-CB 3.38Å; V359-R363 PolarHBondContact O-N 3.37Å; V359-V373 HydrophobicContact CG1-CG1 3.76Å
360	L	98.2	Very high	96.1	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-70.2	-40.6	174.2	-59.6	-163.7	0	0	0	111.5	L356 D357 R363 D364 V442 L444 L447	L356-L360 HydrophobicContact CD1-CD2 3.86Å; L356-L360 HydrophobicContact CD1-CG 4.21Å; L356-L360 HydrophobicContact CG-CD2 4.31Å; L356-L360 HydrophobicContact CG-CG 4.18Å; L356-L360 WeakPolarHBondContact O-CG 3.14Å; L356-L360 PolarHBondContact O-N 3.48Å; D357-L360 PolarHBondContact O-N 2.88Å; L360-R363 WeakPolarHBondContact O-CB 3.36Å; L360-R363 PolarHBondContact O-N 3.18Å; L360-D364 PolarHBondContact O-N 3.09Å; L360-V442 HydrophobicContact CD1-CG1 4.12Å; L360-V442 HydrophobicContact CD2-CG1 3.86Å; L360-L444 HydrophobicContact CD1-CD2 4.08Å; L360-L444 HydrophobicContact CD1-CG 4.31Å; L360-L447 HydrophobicContact CD1-CD1 4.25Å
361	Y	97.8	Very high	96.1	Very high	52 Å²	52	33 Å²	33	20%	0.204	20%	0.199	C	C	.	.	H	α-helix	trans	-57.2	-50.2	169.9	178.5	-79.4	0	0	0	110.5	L221 I328 E329 D357 R363 D364 C365 Y366	L221-Y361 HydrophobicContact CD2-CE2 4.29Å; I328-Y361 HydrophobicContact CG2-CD1 4.4Å; I328-Y361 WeakPolarHBondContact O-CE1 3.26Å; E329-Y361 HydrophobicContact CB-CE2 4.43Å; E329-Y361 HydrophobicContact CG-CD1 4.24Å; E329-Y361 HydrophobicContact CG-CD2 4.1Å; E329-Y361 HydrophobicContact CG-CE2 4.33Å; E329-Y361 HydrophobicContact CG-CG 4.05Å; E329-Y361 PolarHBondContact O-OH 3.1Å; D357-Y361 PolarHBondContact O-N 3.41Å; Y361-R363 VanDerWaalsContact C-N 3.27Å; Y361-R363 PolarHBondContact O-N 2.75Å; Y361-D364 PolarHBondContact O-N 2.96Å; Y361-C365 HydrophobicContact CE1-CB 4.16Å; Y361-C365 WeakPolarHBondContact O-CB 3.3Å; Y361-C365 PolarHBondContact O-N 2.93Å; Y361-Y366 HydrophobicContact CE1-CE2 4.29Å
362	A	98.3	Very high	96.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.4	-39.5	178.3	0	0	0	0	0	112.1	L275 V277 I328 I341 S358 V359 Y366 L367	L275-A362 HydrophobicContact CD2-CB 4.04Å; V277-A362 HydrophobicContact CG2-CB 3.89Å; I328-A362 HydrophobicContact CG1-CB 3.86Å; I341-A362 VanDerWaalsContact CD1-C 3.45Å; I341-A362 HydrophobicContact CD1-CB 4.08Å; I341-A362 WeakPolarHBondContact CD1-O 3.49Å; S358-A362 VanDerWaalsContact O-CB 3.27Å; S358-A362 WeakPolarHBondContact O-CB 3.4Å; S358-A362 PolarHBondContact O-N 3.22Å; V359-A362 PolarHBondContact O-N 2.85Å; A362-Y366 WeakPolarHBondContact O-CA 3.37Å; A362-Y366 VanDerWaalsContact O-CB 3.31Å; A362-Y366 WeakPolarHBondContact O-CB 3.28Å; A362-Y366 PolarHBondContact O-N 2.89Å; A362-L367 PolarHBondContact O-N 3.32Å
363	R	98.4	Very high	96.5	Very high	19 Å²	19	32.4 Å²	32.4	7%	0.072	20%	0.198	C	C	.	.	H	α-helix	trans	-61.6	-57.4	174.4	-176.9	-166	71.6	-163.4	-3.4	111.3	I341 V359 L360 Y361 C365 L367 V373 C439 V442	I341-R363 VanDerWaalsContact CD1-CA 3.43Å; I341-R363 HydrophobicContact CD1-CB 4.13Å; V359-R363 WeakPolarHBondContact O-CB 3.38Å; V359-R363 PolarHBondContact O-N 3.37Å; L360-R363 WeakPolarHBondContact O-CB 3.36Å; L360-R363 PolarHBondContact O-N 3.18Å; Y361-R363 VanDerWaalsContact C-N 3.27Å; Y361-R363 PolarHBondContact O-N 2.75Å; R363-C365 PolarHBondContact O-N 3.31Å; R363-L367 HydrophobicContact CG-CB 4.25Å; R363-L367 HydrophobicContact CG-CD2 3.86Å; R363-L367 WeakPolarHBondContact O-CB 3.38Å; R363-L367 PolarHBondContact O-N 2.95Å; R363-V373 HydrophobicContact CB-CG2 3.97Å; R363-V373 HydrophobicContact CG-CG2 3.68Å; R363-C439 VanDerWaalsContact CD-O 3.26Å; R363-C439 WeakPolarHBondContact CD-O 3.47Å; R363-C439 PolarHBondContact NH1-O 2.92Å; R363-V442 PolarHBondContact NH1-O 2.87Å; R363-V442 PolarHBondContact NH2-O 3.28Å
364	D	97.8	Very high	97	Very high	103 Å²	103	31.2 Å²	31.2	55%	0.551	19%	0.192	S	C	*	.	H	α-helix	trans	-69.7	-35.2	-169.9	-66.1	-12.5	0	0	0	111.4	L360 Y361	L360-D364 PolarHBondContact O-N 3.09Å; Y361-D364 PolarHBondContact O-N 2.96Å
365	C	97.3	Very high	97.4	Very high	55 Å²	55	31 Å²	31	37%	0.372	19%	0.191	S	C	.	.	H	α-helix	trans	-77.2	-51.6	173.3	-69	0	0	0	0	113	K337 Y361 R363	K337-C365 PolarHBondContact NZ-O 3.13Å; Y361-C365 HydrophobicContact CE1-CB 4.16Å; Y361-C365 WeakPolarHBondContact O-CB 3.3Å; Y361-C365 PolarHBondContact O-N 2.93Å; R363-C365 PolarHBondContact O-N 3.31Å
366	Y	98.4	Very high	97.5	Very high	29 Å²	29	30.1 Å²	30.1	11%	0.114	19%	0.187	C	C	.	.	H	α-helix	trans	-112.8	-11.7	-162.4	-61.1	-66.3	0	0	0	116.4	I328 I331 L333 K337 V338 Y361 A362	I328-Y366 HydrophobicContact CD1-CD2 4.2Å; I328-Y366 HydrophobicContact CD1-CE2 3.99Å; I328-Y366 HydrophobicContact CG1-CE2 4.47Å; I331-Y366 PolarHBondContact O-OH 3.42Å; L333-Y366 HydrophobicContact CB-CD1 4.26Å; L333-Y366 HydrophobicContact CB-CE1 3.97Å; L333-Y366 HydrophobicContact CD1-CD1 3.69Å; L333-Y366 HydrophobicContact CD1-CD2 3.7Å; L333-Y366 HydrophobicContact CD1-CE1 4.05Å; L333-Y366 HydrophobicContact CD1-CE2 4.07Å; L333-Y366 HydrophobicContact CD1-CG 3.49Å; L333-Y366 VanDerWaalsContact CD1-CG 3.49Å; L333-Y366 HydrophobicContact CG-CD1 3.97Å; L333-Y366 HydrophobicContact CG-CD2 4.06Å; L333-Y366 HydrophobicContact CG-CE1 3.79Å; L333-Y366 HydrophobicContact CG-CE2 3.89Å; L333-Y366 HydrophobicContact CG-CG 4.09Å; K337-Y366 CarbonylContact C-O 3.56Å; K337-Y366 WeakPolarHBondContact CA-O 3.27Å; K337-Y366 VanDerWaalsContact CD-O 3.26Å; K337-Y366 WeakPolarHBondContact CD-O 3.28Å; V338-Y366 PolarHBondContact N-O 3.43Å; Y361-Y366 HydrophobicContact CE1-CE2 4.29Å; A362-Y366 WeakPolarHBondContact O-CA 3.37Å; A362-Y366 VanDerWaalsContact O-CB 3.31Å; A362-Y366 WeakPolarHBondContact O-CB 3.28Å; A362-Y366 PolarHBondContact O-N 2.89Å
367	L	98.6	Very high	97.6	Very high	22 Å²	22	32.3 Å²	32.3	12%	0.115	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	136.6	177.3	-165.9	66.5	0	0	0	111.8	K337 V338 I341 A362 R363 V373	K337-L367 WeakPolarHBondContact CD-O 3.46Å; K337-L367 VanDerWaalsContact CE-O 3.3Å; K337-L367 WeakPolarHBondContact CE-O 3.36Å; K337-L367 PolarHBondContact NZ-O 3.42Å; V338-L367 HydrophobicContact CG2-CD1 4.38Å; I341-L367 HydrophobicContact CD1-CB 4.06Å; I341-L367 HydrophobicContact CD1-CD1 4.2Å; I341-L367 HydrophobicContact CG1-CD1 4.1Å; A362-L367 PolarHBondContact O-N 3.32Å; R363-L367 HydrophobicContact CG-CB 4.25Å; R363-L367 HydrophobicContact CG-CD2 3.86Å; R363-L367 WeakPolarHBondContact O-CB 3.38Å; R363-L367 PolarHBondContact O-N 2.95Å; L367-V373 HydrophobicContact CD2-CG2 4.07Å
368	A	98.3	Very high	97.7	Very high	29 Å²	29	31.8 Å²	31.8	24%	0.24	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	158.5	176	0	0	0	0	0	112.7	K337 V338 G370 G371	K337-A368 HydrophobicContact CB-CB 4.04Å; V338-A368 VanDerWaalsContact O-CB 3.27Å; V338-A368 WeakPolarHBondContact O-CB 3.16Å; V338-A368 PolarHBondContact O-N 2.94Å; A368-G370 PolarHBondContact O-N 3.42Å; A368-G371 PolarHBondContact O-N 3Å
369	D	96.4	Very high	97.8	Very high	174 Å²	174	32.4 Å²	32.4	93%	0.93	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-56.9	124	169.3	-72.4	-22.4	0	0	0	110.6	G371	D369-G371 VanDerWaalsContact C-N 3.28Å; D369-G371 PolarHBondContact O-N 3.4Å
370	G	94.3	Very high	97.8	Very high	86 Å²	86	32.4 Å²	32.4	89%	0.887	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	79.5	2.9	-174.9	0	0	0	0	0	115.1	A368	A368-G370 PolarHBondContact O-N 3.42Å
371	G	97.4	Very high	97.8	Very high	11 Å²	11	32.4 Å²	32.4	11%	0.113	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	177.3	169.2	0	0	0	0	0	113.4	D339 A368 D369 K476	D339-G371 WeakPolarHBondContact O-CA 3.33Å; A368-G371 PolarHBondContact O-N 3Å; D369-G371 VanDerWaalsContact C-N 3.28Å; D369-G371 PolarHBondContact O-N 3.4Å; G371-K476 PolarHBondContact O-NZ 2.95Å
372	S	98.1	Very high	97.9	Very high	12 Å²	12	29.9 Å²	29.9	8%	0.084	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	148.2	176.6	-57.2	0	0	0	0	113.6	D339 I340 I341 N440 K476	D339-S372 PolarHBondContact O-N 3.25Å; I340-S372 WeakPolarHBondContact CA-O 3.12Å; I341-S372 PolarHBondContact N-O 2.94Å; S372-N440 WeakPolarHBondContact CA-OD1 3.45Å; S372-K476 WeakPolarHBondContact OG-CD 3.41Å; S372-K476 WeakPolarHBondContact OG-CE 3.32Å; S372-K476 PolarHBondContact OG-NZ 3.47Å
373	V	98.6	Very high	97.9	Very high	1 Å²	1	30 Å²	30	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	138.6	166.8	-173.4	0	0	0	0	108.2	I341 V359 R363 L367 D376 C439 N440	I341-V373 HydrophobicContact CB-CG1 4.44Å; I341-V373 HydrophobicContact CB-CG2 4.37Å; I341-V373 HydrophobicContact CD1-CG2 4.49Å; I341-V373 HydrophobicContact CG2-CG1 4.29Å; I341-V373 CarbonylContact O-C 3.57Å; I341-V373 WeakPolarHBondContact O-CA 3.33Å; V359-V373 HydrophobicContact CG1-CG1 3.76Å; R363-V373 HydrophobicContact CB-CG2 3.97Å; R363-V373 HydrophobicContact CG-CG2 3.68Å; L367-V373 HydrophobicContact CD2-CG2 4.07Å; V373-D376 WeakPolarHBondContact O-CB 3.23Å; V373-C439 HydrophobicContact CB-CB 4.11Å; V373-C439 HydrophobicContact CG1-CB 3.89Å; V373-N440 PolarHBondContact N-OD1 2.69Å
374	Y	98.5	Very high	97.9	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.016	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	139.7	173.3	-62.5	-76.4	0	0	0	111.4	F261 V268 I340 I341 S343 D376 F474 K476	F261-Y374 HydrophobicContact CE1-CD1 4.27Å; F261-Y374 HydrophobicContact CE1-CD2 4.22Å; F261-Y374 AromaticContact CE1-CG 3.83Å; F261-Y374 HydrophobicContact CE1-CG 3.83Å; F261-Y374 AromaticContact CE2-CD1 3.95Å; F261-Y374 HydrophobicContact CE2-CD1 3.95Å; F261-Y374 HydrophobicContact CE2-CE1 4.05Å; F261-Y374 HydrophobicContact CE2-CG 4.25Å; F261-Y374 AromaticContact CZ-CD1 3.51Å; F261-Y374 HydrophobicContact CZ-CD1 3.51Å; F261-Y374 AromaticContact CZ-CD2 3.61Å; F261-Y374 HydrophobicContact CZ-CD2 3.61Å; F261-Y374 AromaticContact CZ-CE1 3.9Å; F261-Y374 HydrophobicContact CZ-CE1 3.9Å; F261-Y374 AromaticContact CZ-CE2 3.98Å; F261-Y374 HydrophobicContact CZ-CE2 3.98Å; F261-Y374 AromaticContact CZ-CG 3.35Å; F261-Y374 HydrophobicContact CZ-CG 3.35Å; V268-Y374 HydrophobicContact CG1-CE2 4.09Å; I340-Y374 HydrophobicContact CG2-CD2 3.85Å; I340-Y374 HydrophobicContact CG2-CE2 4.17Å; I341-Y374 PolarHBondContact O-N 3.49Å; S343-Y374 PolarHBondContact N-O 3.3Å; Y374-D376 HydrophobicContact CD1-CB 4.12Å; Y374-D376 HydrophobicContact CE1-CB 4.37Å; Y374-F474 HydrophobicContact CD1-CD1 4.41Å; Y374-K476 HydrophobicContact CE1-CB 4.36Å; Y374-K476 WeakPolarHBondContact CE1-O 3.49Å; Y374-K476 PolarHBondContact OH-O 2.98Å
375	P	98.3	Very high	98	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	16%	0.16	C	C	.	.	S	Bend	cis	-58.5	148.2	-6	26	-35.3	0	0	0	112.2	Y258 S343 M346 C439 I472 F473 F474	Y258-P375 VanDerWaalsContact OH-CD 3.26Å; Y258-P375 WeakPolarHBondContact OH-CD 3.3Å; S343-P375 WeakPolarHBondContact O-CD 3.39Å; M346-P375 HydrophobicContact SD-CG 4Å; P375-C439 WeakPolarHBondContact O-CB 3.32Å; P375-C439 PolarHBondContact O-SG 3.31Å; P375-I472 HydrophobicContact CB-CG2 3.39Å; P375-I472 HydrophobicContact CG-CG2 3.79Å; P375-F473 WeakPolarHBondContact CA-O 3.25Å; P375-F473 VanDerWaalsContact CB-O 3.25Å; P375-F473 WeakPolarHBondContact CB-O 3.17Å; P375-F474 HydrophobicContact CB-CD1 4.29Å; P375-F474 HydrophobicContact CB-CE1 3.86Å; P375-F474 HydrophobicContact CB-CE2 4.41Å; P375-F474 HydrophobicContact CB-CZ 3.93Å
376	D	96.4	Very high	98	Very high	6 Å²	6	22.5 Å²	22.5	3%	0.032	15%	0.15	C	C	.	.			trans	-96	-35.6	-168.9	67.1	-49.5	0	0	0	112.5	V373 Y374 D438 C439 N440 F473 F474 D475 K476	V373-D376 WeakPolarHBondContact O-CB 3.23Å; Y374-D376 HydrophobicContact CD1-CB 4.12Å; Y374-D376 HydrophobicContact CE1-CB 4.37Å; D376-D438 CarbonylContact O-C 3.57Å; D376-D438 WeakPolarHBondContact O-CA 3.43Å; D376-C439 PolarHBondContact O-N 3.1Å; D376-N440 WeakPolarHBondContact CB-ND2 3.32Å; D376-F473 PolarHBondContact N-O 3.35Å; D376-F473 VanDerWaalsContact OD1-C 3.31Å; D376-F474 WeakPolarHBondContact OD1-CA 3.43Å; D376-F474 PolarHBondContact OD1-N 2.91Å; D376-D475 PolarHBondContact OD1-N 3.35Å; D376-D475 WeakPolarHBondContact OD2-CB 3.44Å; D376-D475 PolarHBondContact OD2-N 2.97Å; D376-K476 HydrophobicContact CB-CB 4.12Å; D376-K476 WeakPolarHBondContact OD2-CB 3.4Å; D376-K476 PolarHBondContact OD2-N 3.42Å
377	L	98.1	Very high	98	Very high	48 Å²	48	22.9 Å²	22.9	25%	0.251	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141	173.2	-68.3	164.7	0	0	0	110.6	T436 L437 D438 F473	L377-T436 HydrophobicContact CD2-CG2 4.21Å; L377-L437 WeakPolarHBondContact CA-O 3.36Å; L377-D438 HydrophobicContact CD2-CB 3.75Å; L377-F473 HydrophobicContact CB-CB 4.1Å; L377-F473 HydrophobicContact CB-CD2 4.14Å; L377-F473 HydrophobicContact CB-CG 4.44Å; L377-F473 WeakPolarHBondContact O-CD2 3.44Å; L377-F473 PolarHBondContact O-N 2.96Å
378	C	98.4	Very high	97.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	132.6	174	-59.2	0	0	0	0	110.7	W345 L350 T436 L437 D471 I472	W345-C378 HydrophobicContact CH2-CB 4.36Å; W345-C378 VanDerWaalsContact CZ2-SG 3.55Å; L350-C378 HydrophobicContact CD1-CB 4.2Å; L350-C378 HydrophobicContact CD2-CB 3.74Å; C378-T436 CarbonylContact O-C 3.47Å; C378-T436 WeakPolarHBondContact O-CA 3.42Å; C378-L437 PolarHBondContact N-O 3.32Å; C378-L437 PolarHBondContact O-N 3.17Å; C378-D471 CarbonylContact C-O 3.5Å; C378-D471 WeakPolarHBondContact CA-O 3.33Å; C378-I472 HydrophobicContact CB-CD1 3.99Å; C378-I472 WeakPolarHBondContact SG-CD1 3.48Å
379	N	98.3	Very high	97.8	Very high	26 Å²	26	29.6 Å²	29.6	14%	0.139	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	141.9	173.5	-70.7	-28.1	0	0	0	111	V433 Q435 T436 F470 D471 F473	N379-V433 HydrophobicContact CB-CG1 4Å; N379-V433 HydrophobicContact CB-CG2 4.36Å; N379-Q435 CarbonylContact C-O 3.59Å; N379-Q435 WeakPolarHBondContact CA-O 3.25Å; N379-T436 WeakPolarHBondContact OD1-CB 3.41Å; N379-T436 VanDerWaalsContact OD1-CG2 3.3Å; N379-T436 WeakPolarHBondContact OD1-CG2 3.23Å; N379-T436 PolarHBondContact OD1-OG1 3.37Å; N379-F470 CarbonylContact O-C 3.52Å; N379-F470 WeakPolarHBondContact O-CA 3.46Å; N379-F470 WeakPolarHBondContact O-CB 3.43Å; N379-D471 HydrophobicContact CB-CB 4.17Å; N379-D471 PolarHBondContact N-O 3.31Å; N379-D471 PolarHBondContact O-N 3.14Å; N379-F473 HydrophobicContact CB-CE2 4.49Å; N379-F473 WeakPolarHBondContact ND2-CE2 3.24Å
380	I	98.7	Very high	97.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.1	161.2	-58.3	175.7	0	0	0	107.8	F349 L350 L351 V433 V434 Q435 F449	F349-I380 HydrophobicContact CD2-CG2 4.26Å; F349-I380 HydrophobicContact CE2-CG2 3.52Å; F349-I380 HydrophobicContact CZ-CG2 3.68Å; L350-I380 HydrophobicContact CB-CD1 4.28Å; L350-I380 HydrophobicContact CB-CG1 4.02Å; L350-I380 HydrophobicContact CD2-CD1 4.05Å; L350-I380 HydrophobicContact CD2-CG1 3.54Å; L350-I380 HydrophobicContact CG-CG1 4.42Å; L351-I380 HydrophobicContact CD1-CD1 3.91Å; L351-I380 HydrophobicContact CG-CD1 4.27Å; I380-V433 WeakPolarHBondContact O-CA 3.3Å; I380-V434 HydrophobicContact CB-CG2 4.19Å; I380-V434 HydrophobicContact CG2-CG2 3.89Å; I380-V434 WeakPolarHBondContact O-CG2 3.16Å; I380-V434 PolarHBondContact O-N 3.12Å; I380-Q435 HydrophobicContact CB-CB 4.49Å; I380-Q435 PolarHBondContact N-O 2.96Å; I380-F449 HydrophobicContact CD1-CE1 3.93Å; I380-F449 HydrophobicContact CD1-CZ 3.86Å
381	S	98.7	Very high	97.8	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.021	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	137.7	-173.4	-69	0	0	0	0	110.6	A432 G468 Y469 D471	S381-A432 WeakPolarHBondContact CA-O 3.46Å; S381-G468 WeakPolarHBondContact O-CA 3.3Å; S381-Y469 PolarHBondContact N-O 3.12Å; S381-Y469 PolarHBondContact O-N 3.34Å; S381-D471 PolarHBondContact OG-OD2 2.91Å
382	L	98.8	Very high	97.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	148.5	175	-62.9	-175.9	0	0	0	111.5	F349 P431 A432 V434 F453 L455 I466 V467 I518 F534	F349-L382 HydrophobicContact CE2-CD2 4.11Å; F349-L382 HydrophobicContact CZ-CD2 4.27Å; L382-P431 CarbonylContact O-C 3.54Å; L382-P431 WeakPolarHBondContact O-CA 3.06Å; L382-A432 PolarHBondContact N-O 2.86Å; L382-A432 PolarHBondContact O-N 3.25Å; L382-V434 HydrophobicContact CB-CG1 4.47Å; L382-V434 HydrophobicContact CD1-CG1 3.61Å; L382-V434 HydrophobicContact CD1-CG2 4.45Å; L382-V434 HydrophobicContact CG-CG1 3.81Å; L382-V434 HydrophobicContact CG-CG2 4.12Å; L382-F453 HydrophobicContact CD1-CB 4.44Å; L382-F453 HydrophobicContact CD1-CD1 4.06Å; L382-F453 HydrophobicContact CD1-CD2 4.44Å; L382-F453 HydrophobicContact CD1-CE1 4.43Å; L382-F453 HydrophobicContact CD1-CG 4.07Å; L382-L455 HydrophobicContact CB-CD2 4.22Å; L382-L455 WeakPolarHBondContact O-CD2 3.23Å; L382-I466 HydrophobicContact CB-CG2 4.33Å; L382-I466 HydrophobicContact CD1-CG2 4.37Å; L382-I466 HydrophobicContact CD2-CG2 4.12Å; L382-V467 CarbonylContact C-O 3.58Å; L382-V467 WeakPolarHBondContact CA-O 3.39Å; L382-I518 HydrophobicContact CD1-CD1 4.2Å; L382-I518 HydrophobicContact CD2-CD1 4.24Å; L382-F534 HydrophobicContact CD1-CE1 3.84Å; L382-F534 HydrophobicContact CD1-CZ 4.41Å; L382-F534 HydrophobicContact CD2-CZ 4.31Å
383	A	98.7	Very high	97.5	Very high	2 Å²	2	27.9 Å²	27.9	2%	0.017	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	160.2	165.2	0	0	0	0	0	111.7	L427 P431 I466 V467	A383-L427 HydrophobicContact CB-CD2 3.73Å; A383-P431 HydrophobicContact CB-CB 4.36Å; A383-I466 WeakPolarHBondContact O-CA 3.42Å; A383-V467 HydrophobicContact CB-CG1 3.9Å; A383-V467 PolarHBondContact N-O 3.35Å; A383-V467 PolarHBondContact O-N 3.3Å
384	A	98.6	Very high	97.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	141.1	174.7	0	0	0	0	0	110.8	I428 S429 L455 I457	A384-I428 HydrophobicContact CB-CD1 4.25Å; A384-I428 HydrophobicContact CB-CG1 3.68Å; A384-I428 WeakPolarHBondContact O-CG1 3.32Å; A384-I428 PolarHBondContact O-N 3.44Å; A384-S429 PolarHBondContact N-OG 2.82Å; A384-L455 HydrophobicContact CB-CD1 4.07Å; A384-I457 HydrophobicContact CB-CD1 4.21Å
385	V	98.6	Very high	97	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.018	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.9	178.5	179.6	0	0	0	0	109.7	D387 V422 T426 L427 C463 T464 A465 V467	V385-D387 HydrophobicContact CG1-CB 3.96Å; V385-V422 HydrophobicContact CG2-CG1 4.14Å; V385-T426 CarbonylContact C-O 3.55Å; V385-T426 WeakPolarHBondContact CA-O 3.11Å; V385-L427 HydrophobicContact CG2-CD2 4.31Å; V385-C463 CarbonylContact O-C 3.52Å; V385-C463 WeakPolarHBondContact O-CA 3.24Å; V385-T464 PolarHBondContact O-N 2.89Å; V385-A465 HydrophobicContact CB-CB 4.18Å; V385-A465 PolarHBondContact N-O 3.21Å; V385-A465 PolarHBondContact O-N 3.12Å; V385-V467 HydrophobicContact CG2-CB 3.77Å; V385-V467 HydrophobicContact CG2-CG1 3.6Å
386	G	98.3	Very high	96.9	Very high	17 Å²	17	32.6 Å²	32.6	18%	0.175	17%	0.174	C	C	.	.			trans	-116.2	85.4	170.2	0	0	0	0	0	110	T426 D462	G386-T426 PolarHBondContact N-O 2.91Å; G386-D462 VanDerWaalsContact CA-O 3.3Å; G386-D462 WeakPolarHBondContact CA-O 3.42Å
387	D	97.4	Very high	96.8	Very high	36 Å²	36	36 Å²	36	19%	0.193	19%	0.189	C	C	.	.			trans	-124.6	98.7	176	-171.9	-20.9	0	0	0	108.8	V385 Q389 K390 H391 T426 T464	V385-D387 HydrophobicContact CG1-CB 3.96Å; D387-Q389 PolarHBondContact OD1-N 2.81Å; D387-K390 HydrophobicContact CB-CB 4.02Å; D387-K390 HydrophobicContact CB-CD 4.39Å; D387-K390 VanDerWaalsContact OD1-CB 3.26Å; D387-K390 WeakPolarHBondContact OD1-CB 3.34Å; D387-K390 PolarHBondContact OD1-N 3.27Å; D387-K390 WeakPolarHBondContact OD2-CB 3.43Å; D387-H391 WeakPolarHBondContact O-CB 3.36Å; D387-H391 PolarHBondContact O-N 3.09Å; D387-T426 HydrophobicContact CB-CG2 4.06Å; D387-T464 PolarHBondContact N-OG1 3.13Å; D387-T464 WeakPolarHBondContact O-CB 3.24Å; D387-T464 WeakPolarHBondContact O-CG2 3.47Å; D387-T464 PolarHBondContact O-OG1 3.41Å
388	A	96.4	Very high	96.8	Very high	72 Å²	72	36.3 Å²	36.3	60%	0.595	19%	0.187	S	C	*	.	H	α-helix	trans	-78.4	-32	-176.5	0	0	0	0	0	112.8	H391 Q392	A388-H391 PolarHBondContact O-N 2.8Å; A388-Q392 WeakPolarHBondContact O-CB 3.34Å; A388-Q392 PolarHBondContact O-N 3.41Å
389	Q	95.8	Very high	96.7	Very high	120 Å²	120	41.7 Å²	41.7	56%	0.561	21%	0.212	S	C	*	.	H	α-helix	trans	-67.2	-49.7	178.7	-176.9	59.2	54.8	0	0	109.7	D387 H391 Q392 D393	D387-Q389 PolarHBondContact OD1-N 2.81Å; Q389-H391 VanDerWaalsContact C-N 3.27Å; Q389-H391 PolarHBondContact O-N 3.44Å; Q389-Q392 WeakPolarHBondContact O-CA 3.35Å; Q389-Q392 WeakPolarHBondContact O-CB 3.35Å; Q389-Q392 PolarHBondContact O-N 3.31Å; Q389-Q392 VanDerWaalsContact O-N 3.07Å; Q389-D393 WeakPolarHBondContact CG-OD2 3.3Å; Q389-D393 VanDerWaalsContact NE2-CG 3.26Å; Q389-D393 PolarHBondContact NE2-OD1 3.25Å; Q389-D393 PolarHBondContact NE2-OD2 3.09Å; Q389-D393 PolarHBondContact O-N 2.93Å; Q389-D393 VanDerWaalsContact O-OD2 3.1Å
390	K	94.6	Very high	96.5	Very high	41 Å²	41	45.6 Å²	45.6	18%	0.178	23%	0.233	C	C	.	.	H	α-helix	trans	-56.6	-39.6	174.3	-177.4	-179.5	-151.5	66.3	0	113.5	D387 D393 R394 E420	D387-K390 HydrophobicContact CB-CB 4.02Å; D387-K390 HydrophobicContact CB-CD 4.39Å; D387-K390 VanDerWaalsContact OD1-CB 3.26Å; D387-K390 WeakPolarHBondContact OD1-CB 3.34Å; D387-K390 PolarHBondContact OD1-N 3.27Å; D387-K390 WeakPolarHBondContact OD2-CB 3.43Å; K390-D393 PolarHBondContact O-N 3.32Å; K390-R394 WeakPolarHBondContact O-CB 3.32Å; K390-R394 PolarHBondContact O-N 3.45Å; K390-E420 VanDerWaalsContact CE-CD 3.45Å; K390-E420 WeakPolarHBondContact CE-OE1 3.15Å; K390-E420 IonicContact NZ-OE1 2.96Å; K390-E420 PolarHBondContact NZ-OE1 3.34Å; K390-E420 IonicContact NZ-OE2 2.62Å; K390-E420 PolarHBondContact NZ-OE2 2.76Å
391	H	96.3	Very high	96.5	Very high	14 Å²	14	46.1 Å²	46.1	7%	0.065	24%	0.236	C	C	.	.	H	α-helix	trans	-67.6	-40.8	176.7	-168.5	-85.8	0	0	0	111.6	D387 A388 Q389 I395 A396 T464 L502	D387-H391 WeakPolarHBondContact O-CB 3.36Å; D387-H391 PolarHBondContact O-N 3.09Å; A388-H391 PolarHBondContact O-N 2.8Å; Q389-H391 VanDerWaalsContact C-N 3.27Å; Q389-H391 PolarHBondContact O-N 3.44Å; H391-I395 WeakPolarHBondContact O-CA 3.38Å; H391-I395 WeakPolarHBondContact O-CB 3.26Å; H391-I395 PolarHBondContact O-N 3.17Å; H391-A396 PolarHBondContact O-N 3.05Å; H391-T464 HydrophobicContact CB-CG2 3.92Å; H391-L502 PolarHBondContact CD2-O 2.67Å; H391-L502 PolarHBondContact NE2-O 3.19Å
392	Q	95.6	Very high	96.3	Very high	102 Å²	102	56 Å²	56	48%	0.477	28%	0.275	S	S	.	.	I	π-helix	trans	-58	-52.1	171.7	-174.1	63.8	43.5	0	0	110.7	A388 Q389 R394 A396 F397	A388-Q392 WeakPolarHBondContact O-CB 3.34Å; A388-Q392 PolarHBondContact O-N 3.41Å; Q389-Q392 WeakPolarHBondContact O-CA 3.35Å; Q389-Q392 WeakPolarHBondContact O-CB 3.35Å; Q389-Q392 PolarHBondContact O-N 3.31Å; Q389-Q392 VanDerWaalsContact O-N 3.07Å; Q392-R394 PolarHBondContact O-N 3.1Å; Q392-A396 CarbonylContact O-C 3.54Å; Q392-A396 PolarHBondContact O-N 3.2Å; Q392-F397 WeakPolarHBondContact O-CB 3.49Å; Q392-F397 PolarHBondContact O-N 3.42Å
393	D	94.1	Very high	96.2	Very high	90 Å²	90	59 Å²	59	48%	0.481	31%	0.305	S	S	.	.	I	π-helix	trans	-69.3	-31.6	-173	-59.4	-30.5	0	0	0	113.8	Q389 K390	Q389-D393 WeakPolarHBondContact CG-OD2 3.3Å; Q389-D393 VanDerWaalsContact NE2-CG 3.26Å; Q389-D393 PolarHBondContact NE2-OD1 3.25Å; Q389-D393 PolarHBondContact NE2-OD2 3.09Å; Q389-D393 PolarHBondContact O-N 2.93Å; Q389-D393 VanDerWaalsContact O-OD2 3.1Å; K390-D393 PolarHBondContact O-N 3.32Å
394	R	93.4	Very high	96.2	Very high	90 Å²	90	65.7 Å²	65.7	34%	0.34	33%	0.334	S	S	.	.	I	π-helix	trans	-99.2	-34.8	-178	-66.8	-65.7	-63.5	-117.7	2.6	114.5	K390 Q392 W398 L501	K390-R394 WeakPolarHBondContact O-CB 3.32Å; K390-R394 PolarHBondContact O-N 3.45Å; Q392-R394 PolarHBondContact O-N 3.1Å; R394-W398 PolarHBondContact O-NE1 3.03Å; R394-L501 HydrophobicContact CB-CD1 3.85Å; R394-L501 HydrophobicContact CG-CD1 4.25Å
395	I	94.1	Very high	96.1	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	37%	0.366	C	S	.	.	I	π-helix	trans	-116	-51.6	-169.6	-53	-57.8	0	0	0	112	H391 K410 V413 V414 L501 E503	H391-I395 WeakPolarHBondContact O-CA 3.38Å; H391-I395 WeakPolarHBondContact O-CB 3.26Å; H391-I395 PolarHBondContact O-N 3.17Å; I395-K410 HydrophobicContact CG2-CD 4.4Å; I395-K410 WeakPolarHBondContact O-CE 3.3Å; I395-K410 PolarHBondContact O-NZ 2.87Å; I395-K410 VanDerWaalsContact O-NZ 3.08Å; I395-V413 HydrophobicContact CD1-CG1 4.26Å; I395-V414 HydrophobicContact CD1-CG2 3.96Å; I395-V414 HydrophobicContact CG2-CG2 4.38Å; I395-L501 HydrophobicContact CD1-CB 4.14Å; I395-L501 HydrophobicContact CD1-CD1 4.12Å; I395-L501 HydrophobicContact CG1-CB 4.2Å; I395-L501 HydrophobicContact CG1-CD1 4.25Å; I395-L501 HydrophobicContact CG1-CD2 4.48Å; I395-E503 WeakPolarHBondContact CG2-O 3.3Å
396	A	94.5	Very high	96.1	Very high	14 Å²	14	74.7 Å²	74.7	12%	0.116	38%	0.381	C	S	.	.	I	π-helix	trans	-79.6	-22.2	-175	0	0	0	0	0	113.8	H391 Q392 W398 E399	H391-A396 PolarHBondContact O-N 3.05Å; Q392-A396 CarbonylContact O-C 3.54Å; Q392-A396 PolarHBondContact O-N 3.2Å; A396-W398 PolarHBondContact O-N 3.2Å; A396-W398 VanDerWaalsContact O-N 3.16Å; A396-E399 WeakPolarHBondContact O-CB 3.43Å; A396-E399 PolarHBondContact O-N 2.88Å
397	F	96.2	Very high	95.9	Very high	78 Å²	78	75.5 Å²	75.5	34%	0.342	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-44.7	-45	171	170.4	-103.7	0	0	0	112.4	Q392 E399 D400 V401	Q392-F397 WeakPolarHBondContact O-CB 3.49Å; Q392-F397 PolarHBondContact O-N 3.42Å; F397-E399 PolarHBondContact O-N 3.11Å; F397-E399 VanDerWaalsContact O-N 3.09Å; F397-D400 CarbonylContact O-C 3.59Å; F397-D400 PolarHBondContact O-N 2.87Å; F397-D400 VanDerWaalsContact O-N 3.14Å; F397-V401 HydrophobicContact CD1-CG2 4.06Å; F397-V401 HydrophobicContact CE1-CG1 4.33Å; F397-V401 HydrophobicContact CE1-CG2 3.75Å; F397-V401 HydrophobicContact CE2-CG1 4.47Å; F397-V401 HydrophobicContact CE2-CG2 4.37Å; F397-V401 HydrophobicContact CZ-CB 4.43Å; F397-V401 HydrophobicContact CZ-CG1 3.86Å; F397-V401 HydrophobicContact CZ-CG2 3.92Å; F397-V401 VanDerWaalsContact O-CG2 3.28Å; F397-V401 WeakPolarHBondContact O-CG2 3.18Å
398	W	96.7	Very high	95.8	Very high	55 Å²	55	78.5 Å²	78.5	21%	0.208	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-64.1	-13.5	-180	-58.2	105.6	0	0	0	114.7	R394 A396 V401 M406 A407 M409 K410 V413	R394-W398 PolarHBondContact O-NE1 3.03Å; A396-W398 PolarHBondContact O-N 3.2Å; A396-W398 VanDerWaalsContact O-N 3.16Å; W398-V401 HydrophobicContact CE3-CG2 4.26Å; W398-M406 HydrophobicContact CE3-CB 4.03Å; W398-M406 CarbonylContact O-C 3.54Å; W398-M406 VanDerWaalsContact O-CA 3.27Å; W398-M406 WeakPolarHBondContact O-CA 3.46Å; W398-M406 PolarHBondContact O-N 3.11Å; W398-A407 WeakPolarHBondContact O-CA 3.23Å; W398-A407 PolarHBondContact O-N 3.48Å; W398-M409 HydrophobicContact CD2-CB 3.64Å; W398-M409 HydrophobicContact CD2-CG 4.34Å; W398-M409 HydrophobicContact CE3-CB 3.49Å; W398-M409 VanDerWaalsContact CE3-CB 3.49Å; W398-M409 HydrophobicContact CE3-CG 3.67Å; W398-M409 HydrophobicContact CG-CB 4.13Å; W398-M409 HydrophobicContact CH2-CB 4.39Å; W398-M409 HydrophobicContact CH2-CG 4.49Å; W398-M409 HydrophobicContact CZ3-CB 3.9Å; W398-M409 HydrophobicContact CZ3-CG 3.76Å; W398-K410 HydrophobicContact CB-CG 4.07Å; W398-V413 HydrophobicContact CZ2-CG2 4.2Å
399	E	96	Very high	95.7	Very high	113 Å²	113	79.1 Å²	79.1	53%	0.528	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-76.1	-27.6	175.2	-57.8	-170.7	172.2	0	0	112.8	A396 F397 N405 A407 K410	A396-E399 WeakPolarHBondContact O-CB 3.43Å; A396-E399 PolarHBondContact O-N 2.88Å; F397-E399 PolarHBondContact O-N 3.11Å; F397-E399 VanDerWaalsContact O-N 3.09Å; E399-N405 WeakPolarHBondContact O-CA 3.28Å; E399-A407 HydrophobicContact CG-CB 4.48Å; E399-K410 VanDerWaalsContact CD-NZ 3.31Å; E399-K410 VanDerWaalsContact CG-CE 3.44Å; E399-K410 VanDerWaalsContact CG-NZ 3.28Å; E399-K410 IonicContact OE1-NZ 3.41Å; E399-K410 PolarHBondContact OE1-NZ 2.86Å
400	D	95.9	Very high	95.6	Very high	107 Å²	107	74.5 Å²	74.5	57%	0.572	38%	0.378	S	S	*	.			trans	-149.8	86.9	-179.8	-171.6	-3.8	0	0	0	110.8	F397 G403	F397-D400 CarbonylContact O-C 3.59Å; F397-D400 PolarHBondContact O-N 2.87Å; F397-D400 VanDerWaalsContact O-N 3.14Å; D400-G403 WeakPolarHBondContact OD1-CA 3.44Å; D400-G403 PolarHBondContact OD1-N 3.11Å
401	V	97.4	Very high	95.4	Very high	12 Å²	12	76.4 Å²	76.4	7%	0.073	40%	0.402	C	S	.	.	B	Isolated β-bridge	trans	-95.7	93.8	175.7	-178.8	0	0	0	0	107.8	F397 W398 G403 F404 M406	F397-V401 HydrophobicContact CD1-CG2 4.06Å; F397-V401 HydrophobicContact CE1-CG1 4.33Å; F397-V401 HydrophobicContact CE1-CG2 3.75Å; F397-V401 HydrophobicContact CE2-CG1 4.47Å; F397-V401 HydrophobicContact CE2-CG2 4.37Å; F397-V401 HydrophobicContact CZ-CB 4.43Å; F397-V401 HydrophobicContact CZ-CG1 3.86Å; F397-V401 HydrophobicContact CZ-CG2 3.92Å; F397-V401 VanDerWaalsContact O-CG2 3.28Å; F397-V401 WeakPolarHBondContact O-CG2 3.18Å; W398-V401 HydrophobicContact CE3-CG2 4.26Å; V401-G403 VanDerWaalsContact C-N 3.3Å; V401-G403 PolarHBondContact O-N 3.23Å; V401-F404 PolarHBondContact N-O 2.91Å; V401-F404 WeakPolarHBondContact O-CB 3.12Å; V401-F404 WeakPolarHBondContact O-CD2 3.33Å; V401-F404 PolarHBondContact O-N 3.43Å; V401-M406 HydrophobicContact CB-CE 3.92Å; V401-M406 HydrophobicContact CB-CG 4.06Å; V401-M406 HydrophobicContact CB-SD 3.79Å; V401-M406 HydrophobicContact CG1-CE 3.75Å; V401-M406 HydrophobicContact CG1-SD 3.83Å; V401-M406 HydrophobicContact CG2-CB 4.08Å; V401-M406 HydrophobicContact CG2-CG 4.02Å; V401-M406 HydrophobicContact CG2-SD 3.89Å
402	Y	95.8	Very high	95.1	Very high	211 Å²	211	78.5 Å²	78.5	83%	0.827	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	35.5	-177.9	-53.9	-81.4	0	0	0	115
403	G	96.8	Very high	94.8	Very high	63 Å²	63	74.6 Å²	74.6	65%	0.649	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.7	-4.3	-175.4	0	0	0	0	0	114.2	D400 V401	D400-G403 WeakPolarHBondContact OD1-CA 3.44Å; D400-G403 PolarHBondContact OD1-N 3.11Å; V401-G403 VanDerWaalsContact C-N 3.3Å; V401-G403 PolarHBondContact O-N 3.23Å
404	F	97.4	Very high	94.7	Very high	141 Å²	141	71 Å²	71	62%	0.618	39%	0.386	S	S	*	.	B	Isolated β-bridge	trans	-106.9	124.1	-179.3	-56.9	-77.9	0	0	0	111.5	V401 M406	V401-F404 PolarHBondContact N-O 2.91Å; V401-F404 WeakPolarHBondContact O-CB 3.12Å; V401-F404 WeakPolarHBondContact O-CD2 3.33Å; V401-F404 PolarHBondContact O-N 3.43Å; F404-M406 HydrophobicContact CB-CE 4.11Å; F404-M406 PolarHBondContact O-N 3.38Å
405	N	97	Very high	94.7	Very high	124 Å²	124	69 Å²	69	66%	0.663	39%	0.385	S	S	*	.			trans	-75.6	112.5	174.2	-178.5	-21.4	0	0	0	110.2	E399 A407	E399-N405 WeakPolarHBondContact O-CA 3.28Å; N405-A407 WeakPolarHBondContact OD1-CB 3.21Å; N405-A407 PolarHBondContact OD1-N 2.85Å
406	M	97.8	Very high	94.6	Very high	69 Å²	69	73.8 Å²	73.8	34%	0.34	41%	0.407	S	S	.	.			trans	-113.3	24.8	178.2	-59.5	-168.5	-174.4	0	0	111.8	W398 V401 F404 C408 M409	W398-M406 HydrophobicContact CE3-CB 4.03Å; W398-M406 CarbonylContact O-C 3.54Å; W398-M406 VanDerWaalsContact O-CA 3.27Å; W398-M406 WeakPolarHBondContact O-CA 3.46Å; W398-M406 PolarHBondContact O-N 3.11Å; V401-M406 HydrophobicContact CB-CE 3.92Å; V401-M406 HydrophobicContact CB-CG 4.06Å; V401-M406 HydrophobicContact CB-SD 3.79Å; V401-M406 HydrophobicContact CG1-CE 3.75Å; V401-M406 HydrophobicContact CG1-SD 3.83Å; V401-M406 HydrophobicContact CG2-CB 4.08Å; V401-M406 HydrophobicContact CG2-CG 4.02Å; V401-M406 HydrophobicContact CG2-SD 3.89Å; F404-M406 HydrophobicContact CB-CE 4.11Å; F404-M406 PolarHBondContact O-N 3.38Å; M406-C408 PolarHBondContact O-N 3.02Å; M406-M409 HydrophobicContact CB-CG 4.35Å; M406-M409 WeakPolarHBondContact O-CB 3.44Å; M406-M409 WeakPolarHBondContact O-CG 3.47Å; M406-M409 PolarHBondContact O-N 3.34Å
407	A	95.8	Very high	94.6	Very high	33 Å²	33	73.8 Å²	73.8	27%	0.273	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-65.3	-11.6	-167.6	0	0	0	0	0	114.3	W398 E399 N405 M409 K410	W398-A407 WeakPolarHBondContact O-CA 3.23Å; W398-A407 PolarHBondContact O-N 3.48Å; E399-A407 HydrophobicContact CG-CB 4.48Å; N405-A407 WeakPolarHBondContact OD1-CB 3.21Å; N405-A407 PolarHBondContact OD1-N 2.85Å; A407-M409 PolarHBondContact O-N 3.47Å; A407-K410 WeakPolarHBondContact O-CB 3.43Å; A407-K410 WeakPolarHBondContact O-CG 3.42Å; A407-K410 PolarHBondContact O-N 3.43Å
408	C	94.8	Very high	94.4	Very high	100 Å²	100	71 Å²	71	68%	0.676	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-56.9	-33.9	166.3	51.5	0	0	0	0	112.7	M406 K410 A411	M406-C408 PolarHBondContact O-N 3.02Å; C408-K410 PolarHBondContact O-N 2.68Å; C408-A411 WeakPolarHBondContact O-CB 3.45Å; C408-A411 PolarHBondContact O-N 3.34Å
409	M	94.8	Very high	94.3	Very high	84 Å²	84	70.3 Å²	70.3	41%	0.414	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-62.9	-22.7	179.3	-62.2	-56.4	-67.4	0	0	113	W398 M406 A407 A411 A412 V413	W398-M409 HydrophobicContact CD2-CB 3.64Å; W398-M409 HydrophobicContact CD2-CG 4.34Å; W398-M409 HydrophobicContact CE3-CB 3.49Å; W398-M409 VanDerWaalsContact CE3-CB 3.49Å; W398-M409 HydrophobicContact CE3-CG 3.67Å; W398-M409 HydrophobicContact CG-CB 4.13Å; W398-M409 HydrophobicContact CH2-CB 4.39Å; W398-M409 HydrophobicContact CH2-CG 4.49Å; W398-M409 HydrophobicContact CZ3-CB 3.9Å; W398-M409 HydrophobicContact CZ3-CG 3.76Å; M406-M409 HydrophobicContact CB-CG 4.35Å; M406-M409 WeakPolarHBondContact O-CB 3.44Å; M406-M409 WeakPolarHBondContact O-CG 3.47Å; M406-M409 PolarHBondContact O-N 3.34Å; A407-M409 PolarHBondContact O-N 3.47Å; M409-A411 PolarHBondContact O-N 3.5Å; M409-A411 VanDerWaalsContact O-N 3.14Å; M409-A412 PolarHBondContact O-N 2.99Å; M409-V413 PolarHBondContact O-N 2.9Å; M409-V413 VanDerWaalsContact O-N 3.12Å
410	K	92.7	Very high	94.3	Very high	23 Å²	23	67 Å²	67	10%	0.1	38%	0.383	C	S	.	.	H	α-helix	trans	-57.4	-28	172.8	-61.7	-173.3	-178.9	-142.9	0	112.7	I395 W398 E399 A407 C408 A412 V413 V414	I395-K410 HydrophobicContact CG2-CD 4.4Å; I395-K410 WeakPolarHBondContact O-CE 3.3Å; I395-K410 PolarHBondContact O-NZ 2.87Å; I395-K410 VanDerWaalsContact O-NZ 3.08Å; W398-K410 HydrophobicContact CB-CG 4.07Å; E399-K410 VanDerWaalsContact CD-NZ 3.31Å; E399-K410 VanDerWaalsContact CG-CE 3.44Å; E399-K410 VanDerWaalsContact CG-NZ 3.28Å; E399-K410 IonicContact OE1-NZ 3.41Å; E399-K410 PolarHBondContact OE1-NZ 2.86Å; A407-K410 WeakPolarHBondContact O-CB 3.43Å; A407-K410 WeakPolarHBondContact O-CG 3.42Å; A407-K410 PolarHBondContact O-N 3.43Å; C408-K410 PolarHBondContact O-N 2.68Å; K410-A412 PolarHBondContact O-N 2.74Å; K410-V413 PolarHBondContact O-N 2.88Å; K410-V414 HydrophobicContact CB-CG2 4.24Å; K410-V414 VanDerWaalsContact O-CB 3.24Å; K410-V414 WeakPolarHBondContact O-CB 3.32Å; K410-V414 VanDerWaalsContact O-CG2 3.3Å; K410-V414 WeakPolarHBondContact O-CG2 3.46Å; K410-V414 PolarHBondContact O-N 3.34Å
411	A	90.8	Very high	94.4	Very high	82 Å²	82	64.9 Å²	64.9	68%	0.678	37%	0.373	S	S	*	.	H	α-helix	trans	-67.2	-23.1	177.9	0	0	0	0	0	113.3	C408 M409 P415	C408-A411 WeakPolarHBondContact O-CB 3.45Å; C408-A411 PolarHBondContact O-N 3.34Å; M409-A411 PolarHBondContact O-N 3.5Å; M409-A411 VanDerWaalsContact O-N 3.14Å; A411-P415 WeakPolarHBondContact O-CD 3.38Å; A411-P415 WeakPolarHBondContact O-CG 3.39Å
412	A	89	Confident	94.4	Very high	58 Å²	58	64.8 Å²	64.8	48%	0.479	37%	0.373	S	S	.	.	H	α-helix	trans	-91	-43.9	171.9	0	0	0	0	0	111.9	M409 K410 P415	M409-A412 PolarHBondContact O-N 2.99Å; K410-A412 PolarHBondContact O-N 2.74Å; A412-P415 WeakPolarHBondContact O-CD 3.42Å
413	V	90.6	Very high	94.5	Very high	20 Å²	20	60 Å²	60	12%	0.121	36%	0.358	C	S	.	.	H	α-helix	trans	-79	-32.1	-172.1	-178	0	0	0	0	113.8	I395 W398 M409 K410 E416	I395-V413 HydrophobicContact CD1-CG1 4.26Å; W398-V413 HydrophobicContact CZ2-CG2 4.2Å; M409-V413 PolarHBondContact O-N 2.9Å; M409-V413 VanDerWaalsContact O-N 3.12Å; K410-V413 PolarHBondContact O-N 2.88Å; V413-E416 PolarHBondContact O-N 3.11Å
414	V	91.8	Very high	94.5	Very high	14 Å²	14	58.5 Å²	58.5	9%	0.085	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-39.6	179.7	168.5	0	0	0	0	112.8	I395 K410 E416 E503 Y543	I395-V414 HydrophobicContact CD1-CG2 3.96Å; I395-V414 HydrophobicContact CG2-CG2 4.38Å; K410-V414 HydrophobicContact CB-CG2 4.24Å; K410-V414 VanDerWaalsContact O-CB 3.24Å; K410-V414 WeakPolarHBondContact O-CB 3.32Å; K410-V414 VanDerWaalsContact O-CG2 3.3Å; K410-V414 WeakPolarHBondContact O-CG2 3.46Å; K410-V414 PolarHBondContact O-N 3.34Å; V414-E416 PolarHBondContact O-N 2.66Å; V414-E503 HydrophobicContact CG1-CB 3.98Å; V414-E503 HydrophobicContact CG2-CB 4.07Å; V414-E503 HydrophobicContact CG2-CG 4.17Å; V414-Y543 VanDerWaalsContact O-CD1 3.26Å; V414-Y543 WeakPolarHBondContact O-CD1 3.42Å; V414-Y543 WeakPolarHBondContact O-CE1 3.27Å
415	P	93.8	Very high	94.5	Very high	49 Å²	49	58.3 Å²	58.3	32%	0.318	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-7.2	173.6	-25.9	36.5	0	0	0	116.2	A411 A412 Y543 S544	A411-P415 WeakPolarHBondContact O-CD 3.38Å; A411-P415 WeakPolarHBondContact O-CG 3.39Å; A412-P415 WeakPolarHBondContact O-CD 3.42Å; P415-Y543 CarbonylContact O-C 3.46Å; P415-Y543 WeakPolarHBondContact O-CA 3.42Å; P415-S544 PolarHBondContact O-N 3.42Å
416	E	91.4	Very high	94.5	Very high	99 Å²	99	53.6 Å²	53.6	46%	0.463	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-82.4	122	178.4	-68.6	174.7	-178.8	0	0	111.2	V413 V414	V413-E416 PolarHBondContact O-N 3.11Å; V414-E416 PolarHBondContact O-N 2.66Å
417	A	93.4	Very high	94.6	Very high	15 Å²	15	50.9 Å²	50.9	12%	0.124	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-80	125.2	166.6	0	0	0	0	0	109.9	T498 F500 S544 L545	A417-T498 HydrophobicContact CB-CG2 3.88Å; A417-F500 HydrophobicContact CB-CD1 3.92Å; A417-F500 HydrophobicContact CB-CE1 3.76Å; A417-S544 WeakPolarHBondContact CB-O 3.43Å; A417-S544 PolarHBondContact N-O 3.06Å; A417-L545 HydrophobicContact CB-CB 4.29Å; A417-L545 HydrophobicContact CB-CD1 4.15Å
418	V	92.9	Very high	94.7	Very high	20 Å²	20	49.5 Å²	49.5	12%	0.121	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132	-175.5	-173.9	0	0	0	0	110.7	E420 T498 V499	V418-E420 HydrophobicContact CG1-CB 4.45Å; V418-E420 HydrophobicContact CG1-CG 4.04Å; V418-E420 WeakPolarHBondContact CG1-OE1 3.23Å; V418-T498 CarbonylContact O-C 3.59Å; V418-T498 WeakPolarHBondContact O-CA 3.47Å; V418-V499 HydrophobicContact CB-CB 4.48Å; V418-V499 PolarHBondContact N-O 3.11Å; V418-V499 PolarHBondContact O-N 3.22Å
419	V	95.7	Very high	94.9	Very high	39 Å²	39	45.1 Å²	45.1	24%	0.236	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	109.1	178.6	178.1	0	0	0	0	110.7	Y348 W495 K496 Q497 L545	Y348-V419 HydrophobicContact CD1-CB 4.47Å; Y348-V419 HydrophobicContact CD1-CG1 3.44Å; Y348-V419 VanDerWaalsContact CD1-CG1 3.44Å; Y348-V419 HydrophobicContact CD1-CG2 4.26Å; Y348-V419 HydrophobicContact CD2-CG1 4.39Å; Y348-V419 HydrophobicContact CD2-CG2 4.06Å; Y348-V419 HydrophobicContact CE1-CG1 3.55Å; Y348-V419 HydrophobicContact CE2-CG1 4.49Å; Y348-V419 HydrophobicContact CG-CB 4.49Å; Y348-V419 HydrophobicContact CG-CG1 3.89Å; Y348-V419 HydrophobicContact CG-CG2 3.83Å; V419-W495 WeakPolarHBondContact CG1-O 3.28Å; V419-K496 HydrophobicContact CG1-CD 4.11Å; V419-Q497 WeakPolarHBondContact CA-O 3.43Å; V419-L545 HydrophobicContact CG2-CD1 3.84Å
420	E	95.6	Very high	95	Very high	44 Å²	44	45.2 Å²	45.2	21%	0.206	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	169.1	-170.7	60.4	179.7	147	0	0	114	K390 V418 V422 K496 Q497 V499	K390-E420 VanDerWaalsContact CE-CD 3.45Å; K390-E420 WeakPolarHBondContact CE-OE1 3.15Å; K390-E420 IonicContact NZ-OE1 2.96Å; K390-E420 PolarHBondContact NZ-OE1 3.34Å; K390-E420 IonicContact NZ-OE2 2.62Å; K390-E420 PolarHBondContact NZ-OE2 2.76Å; V418-E420 HydrophobicContact CG1-CB 4.45Å; V418-E420 HydrophobicContact CG1-CG 4.04Å; V418-E420 WeakPolarHBondContact CG1-OE1 3.23Å; E420-V422 PolarHBondContact O-N 3.23Å; E420-K496 VanDerWaalsContact O-CB 3.28Å; E420-K496 WeakPolarHBondContact O-CB 3.44Å; E420-Q497 PolarHBondContact N-O 2.89Å; E420-Q497 PolarHBondContact O-N 3.15Å; E420-Q497 VanDerWaalsContact O-O 3.13Å; E420-Q497 PolarHBondContact O-OE1 3Å; E420-V499 HydrophobicContact CG-CG2 3.79Å
421	V	97.1	Very high	95.3	Very high	62 Å²	62	47.5 Å²	47.5	38%	0.376	28%	0.278	S	S	.	.			trans	-84.2	106.4	178.2	-175.5	0	0	0	0	110	Q423 K492 K496	V421-Q423 PolarHBondContact O-NE2 3.17Å; V421-K492 HydrophobicContact CG2-CD 4.4Å; V421-K496 HydrophobicContact CG2-CB 4.03Å; V421-K496 HydrophobicContact CG2-CG 3.75Å
422	V	97.5	Very high	95.6	Very high	11 Å²	11	44.6 Å²	44.6	7%	0.067	25%	0.254	C	S	.	.			trans	-74.4	137.8	171	177.3	0	0	0	0	109.5	V385 E420 V467 P488 Q497 V499	V385-V422 HydrophobicContact CG2-CG1 4.14Å; E420-V422 PolarHBondContact O-N 3.23Å; V422-V467 HydrophobicContact CG2-CB 4.48Å; V422-V467 HydrophobicContact CG2-CG2 3.87Å; V422-P488 HydrophobicContact CB-CB 4.17Å; V422-P488 HydrophobicContact CB-CG 4.01Å; V422-P488 HydrophobicContact CG1-CB 4.29Å; V422-P488 HydrophobicContact CG1-CG 4.2Å; V422-Q497 HydrophobicContact CG2-CB 4.43Å; V422-V499 HydrophobicContact CG2-CG2 3.48Å; V422-V499 VanDerWaalsContact CG2-CG2 3.48Å
423	Q	97.3	Very high	96.1	Very high	110 Å²	110	45.6 Å²	45.6	51%	0.514	25%	0.254	S	S	.	.			trans	-76.5	136.1	175.8	-55	-56	-59.6	0	0	110.1	V421 E425 T426	V421-Q423 PolarHBondContact O-NE2 3.17Å; Q423-E425 PolarHBondContact O-N 3.04Å; Q423-E425 VanDerWaalsContact O-N 3.09Å; Q423-T426 HydrophobicContact CB-CG2 4.42Å; Q423-T426 PolarHBondContact O-N 2.9Å; Q423-T426 VanDerWaalsContact O-N 3.12Å; Q423-T426 PolarHBondContact O-OG1 2.82Å; Q423-T426 VanDerWaalsContact O-OG1 3.07Å
424	A	97.1	Very high	96.5	Very high	31 Å²	31	45.1 Å²	45.1	26%	0.256	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-58.1	-28.7	-178.8	0	0	0	0	0	112.7	L427 Q489	A424-L427 WeakPolarHBondContact O-CB 3.23Å; A424-L427 PolarHBondContact O-N 2.94Å; A424-Q489 HydrophobicContact CB-CG 4.22Å
425	E	97.1	Very high	96.8	Very high	138 Å²	138	45.2 Å²	45.2	65%	0.645	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-71.6	-26.7	-177.9	-66.1	64.3	-141.9	0	0	112.9	Q423 K459	Q423-E425 PolarHBondContact O-N 3.04Å; Q423-E425 VanDerWaalsContact O-N 3.09Å; E425-K459 PolarHBondContact O-NZ 3.22Å
426	T	98	Very high	97	Very high	25 Å²	25	46.2 Å²	46.2	15%	0.153	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-87	-4.1	179	64.1	0	0	0	0	113.3	V385 G386 D387 Q423 I428	V385-T426 CarbonylContact C-O 3.55Å; V385-T426 WeakPolarHBondContact CA-O 3.11Å; G386-T426 PolarHBondContact N-O 2.91Å; D387-T426 HydrophobicContact CB-CG2 4.06Å; Q423-T426 HydrophobicContact CB-CG2 4.42Å; Q423-T426 PolarHBondContact O-N 2.9Å; Q423-T426 VanDerWaalsContact O-N 3.12Å; Q423-T426 PolarHBondContact O-OG1 2.82Å; Q423-T426 VanDerWaalsContact O-OG1 3.07Å; T426-I428 PolarHBondContact O-N 3.11Å
427	L	98.6	Very high	97.3	Very high	12 Å²	12	41.6 Å²	41.6	6%	0.063	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-66.1	128.3	168.8	-71.2	175.1	0	0	0	111.3	A383 V385 A424 K459 V467 P488 Q489	A383-L427 HydrophobicContact CB-CD2 3.73Å; V385-L427 HydrophobicContact CG2-CD2 4.31Å; A424-L427 WeakPolarHBondContact O-CB 3.23Å; A424-L427 PolarHBondContact O-N 2.94Å; L427-K459 WeakPolarHBondContact O-CD 3.43Å; L427-K459 WeakPolarHBondContact O-CE 3.26Å; L427-K459 PolarHBondContact O-NZ 3.19Å; L427-V467 HydrophobicContact CD2-CG1 3.86Å; L427-P488 HydrophobicContact CD1-CB 4.02Å; L427-P488 HydrophobicContact CD1-CG 4.23Å; L427-P488 HydrophobicContact CD2-CG 4.29Å; L427-P488 HydrophobicContact CG-CB 4.45Å; L427-Q489 HydrophobicContact CD1-CG 3.73Å
428	I	98.6	Very high	97.5	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.015	24%	0.242	C	C	.	.			trans	-119.7	7.6	-177	67.6	168.8	0	0	0	113.8	A384 T426 I457 T458 K459 T461 C463 V508	A384-I428 HydrophobicContact CB-CD1 4.25Å; A384-I428 HydrophobicContact CB-CG1 3.68Å; A384-I428 WeakPolarHBondContact O-CG1 3.32Å; A384-I428 PolarHBondContact O-N 3.44Å; T426-I428 PolarHBondContact O-N 3.11Å; I428-I457 CarbonylContact O-C 3.44Å; I428-I457 WeakPolarHBondContact O-CA 3.14Å; I428-T458 VanDerWaalsContact C-OG1 3.24Å; I428-T458 PolarHBondContact O-N 3.47Å; I428-T458 PolarHBondContact O-OG1 3.13Å; I428-K459 HydrophobicContact CB-CB 4.15Å; I428-K459 HydrophobicContact CG2-CB 4.11Å; I428-K459 HydrophobicContact CG2-CD 4.03Å; I428-T461 HydrophobicContact CB-CG2 4.3Å; I428-T461 HydrophobicContact CD1-CG2 3.97Å; I428-T461 HydrophobicContact CG2-CG2 3.59Å; I428-C463 HydrophobicContact CD1-CB 3.75Å; I428-V508 HydrophobicContact CD1-CG2 3.84Å
429	S	98.7	Very high	97.8	Very high	8 Å²	8	42.4 Å²	42.4	6%	0.056	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-134.6	166.6	172.1	75.9	0	0	0	0	112.7	A384 K456	A384-S429 PolarHBondContact N-OG 2.82Å; S429-K456 CarbonylContact C-O 3.57Å; S429-K456 WeakPolarHBondContact CA-O 3.31Å; S429-K456 VanDerWaalsContact CB-O 3.29Å; S429-K456 WeakPolarHBondContact CB-O 3.44Å
430	E	98.1	Very high	97.9	Very high	86 Å²	86	41.7 Å²	41.7	40%	0.402	23%	0.231	S	C	.	.			trans	-66.1	146.3	151.8	-76.9	154.3	-146.4	0	0	109.4	K456 T458	E430-K456 HydrophobicContact CB-CB 4.45Å; E430-K456 PolarHBondContact N-O 3.08Å; E430-K456 IonicContact OE1-NZ 2.63Å; E430-K456 PolarHBondContact OE1-NZ 3.37Å; E430-K456 WeakPolarHBondContact OE2-CD 3.36Å; E430-K456 IonicContact OE2-NZ 3.48Å; E430-K456 PolarHBondContact OE2-NZ 2.91Å; E430-T458 HydrophobicContact CG-CG2 4.1Å
431	P	97.9	Very high	97.9	Very high	71 Å²	71	44.2 Å²	44.2	46%	0.461	25%	0.25	S	C	.	.			trans	-76.7	154.3	176	32	-34.7	0	0	0	111.8	L382 A383 Y469	L382-P431 CarbonylContact O-C 3.54Å; L382-P431 WeakPolarHBondContact O-CA 3.06Å; A383-P431 HydrophobicContact CB-CB 4.36Å; P431-Y469 HydrophobicContact CB-CE1 4.25Å; P431-Y469 WeakPolarHBondContact CB-OH 3.42Å
432	A	98.4	Very high	98	Very high	22 Å²	22	41.5 Å²	41.5	18%	0.182	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	125.5	174.9	0	0	0	0	0	111.2	S381 L382 V434 L454 L455	S381-A432 WeakPolarHBondContact CA-O 3.46Å; L382-A432 PolarHBondContact N-O 2.86Å; L382-A432 PolarHBondContact O-N 3.25Å; A432-V434 PolarHBondContact O-N 2.85Å; A432-L454 WeakPolarHBondContact CB-O 3.5Å; A432-L455 HydrophobicContact CB-CD2 3.87Å
433	V	98.6	Very high	97.9	Very high	78 Å²	78	44 Å²	44	47%	0.473	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	124.2	169.3	-179.7	0	0	0	0	108.6	N379 I380	N379-V433 HydrophobicContact CB-CG1 4Å; N379-V433 HydrophobicContact CB-CG2 4.36Å; I380-V433 WeakPolarHBondContact O-CA 3.3Å
434	V	98.1	Very high	97.7	Very high	11 Å²	11	41.2 Å²	41.2	7%	0.067	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-27.4	178.8	-67.3	0	0	0	0	113.1	I380 L382 A432 K451 F453 I518	I380-V434 HydrophobicContact CB-CG2 4.19Å; I380-V434 HydrophobicContact CG2-CG2 3.89Å; I380-V434 WeakPolarHBondContact O-CG2 3.16Å; I380-V434 PolarHBondContact O-N 3.12Å; L382-V434 HydrophobicContact CB-CG1 4.47Å; L382-V434 HydrophobicContact CD1-CG1 3.61Å; L382-V434 HydrophobicContact CD1-CG2 4.45Å; L382-V434 HydrophobicContact CG-CG1 3.81Å; L382-V434 HydrophobicContact CG-CG2 4.12Å; A432-V434 PolarHBondContact O-N 2.85Å; V434-K451 WeakPolarHBondContact O-CD 3.36Å; V434-K451 VanDerWaalsContact O-CG 3.25Å; V434-K451 WeakPolarHBondContact O-CG 3.44Å; V434-F453 HydrophobicContact CG1-CB 3.68Å; V434-I518 HydrophobicContact CB-CG2 4.09Å; V434-I518 HydrophobicContact CG1-CG2 4.22Å; V434-I518 HydrophobicContact CG2-CG2 4.26Å
435	Q	98.1	Very high	97.5	Very high	16 Å²	16	44.3 Å²	44.3	8%	0.075	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	142	176.7	178.7	66.2	-26.1	0	0	109.9	N379 I380 L437 E446 F449 K451	N379-Q435 CarbonylContact C-O 3.59Å; N379-Q435 WeakPolarHBondContact CA-O 3.25Å; I380-Q435 HydrophobicContact CB-CB 4.49Å; I380-Q435 PolarHBondContact N-O 2.96Å; Q435-L437 HydrophobicContact CG-CD2 3.58Å; Q435-L437 HydrophobicContact CG-CG 4.21Å; Q435-E446 PolarHBondContact NE2-O 3.09Å; Q435-F449 HydrophobicContact CB-CD1 4.45Å; Q435-F449 HydrophobicContact CB-CD2 4.4Å; Q435-F449 HydrophobicContact CB-CE1 4Å; Q435-F449 HydrophobicContact CB-CE2 3.93Å; Q435-F449 HydrophobicContact CB-CZ 3.71Å; Q435-F449 HydrophobicContact CG-CD1 3.98Å; Q435-F449 HydrophobicContact CG-CE1 3.82Å; Q435-F449 HydrophobicContact CG-CE2 4.48Å; Q435-F449 HydrophobicContact CG-CG 4.39Å; Q435-F449 HydrophobicContact CG-CZ 4.08Å; Q435-K451 VanDerWaalsContact OE1-CE 3.23Å
436	T	98.3	Very high	97.4	Very high	70 Å²	70	42 Å²	42	43%	0.429	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132.4	168	-57.8	0	0	0	0	107.2	L377 C378 N379	L377-T436 HydrophobicContact CD2-CG2 4.21Å; C378-T436 CarbonylContact O-C 3.47Å; C378-T436 WeakPolarHBondContact O-CA 3.42Å; N379-T436 WeakPolarHBondContact OD1-CB 3.41Å; N379-T436 VanDerWaalsContact OD1-CG2 3.3Å; N379-T436 WeakPolarHBondContact OD1-CG2 3.23Å; N379-T436 PolarHBondContact OD1-OG1 3.37Å
437	L	98.3	Very high	97.3	Very high	1 Å²	1	41 Å²	41	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.7	177.7	-51.8	176.8	0	0	0	108.3	L350 L351 L356 L377 C378 Q435 V442 L447	L350-L437 HydrophobicContact CD2-CD1 3.97Å; L351-L437 HydrophobicContact CD1-CD1 4.48Å; L351-L437 HydrophobicContact CD2-CD1 3.93Å; L356-L437 HydrophobicContact CD2-CD1 4.16Å; L377-L437 WeakPolarHBondContact CA-O 3.36Å; C378-L437 PolarHBondContact N-O 3.32Å; C378-L437 PolarHBondContact O-N 3.17Å; Q435-L437 HydrophobicContact CG-CD2 3.58Å; Q435-L437 HydrophobicContact CG-CG 4.21Å; L437-V442 HydrophobicContact CD2-CG2 4.17Å; L437-L447 HydrophobicContact CD1-CD2 4.1Å; L437-L447 HydrophobicContact CD2-CD2 4.21Å
438	D	98.3	Very high	97.1	Very high	52 Å²	52	44.5 Å²	44.5	28%	0.278	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	108	165.2	-178.3	-19.8	0	0	0	108.2	D376 L377 N440 T441 V442	D376-D438 CarbonylContact O-C 3.57Å; D376-D438 WeakPolarHBondContact O-CA 3.43Å; L377-D438 HydrophobicContact CD2-CB 3.75Å; D438-N440 PolarHBondContact O-N 2.89Å; D438-N440 WeakPolarHBondContact OD1-CA 3.48Å; D438-N440 WeakPolarHBondContact OD1-CB 3.04Å; D438-N440 PolarHBondContact OD1-N 3.37Å; D438-N440 PolarHBondContact OD1-ND2 2.71Å; D438-T441 PolarHBondContact O-N 2.83Å; D438-V442 VanDerWaalsContact O-CB 3.25Å; D438-V442 WeakPolarHBondContact O-CB 3.48Å; D438-V442 VanDerWaalsContact O-CG1 3.26Å; D438-V442 WeakPolarHBondContact O-CG1 2.91Å; D438-V442 PolarHBondContact O-N 2.77Å
439	C	98	Very high	97	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-18.8	-176.8	-63.8	0	0	0	0	112.6	R363 V373 P375 D376	R363-C439 VanDerWaalsContact CD-O 3.26Å; R363-C439 WeakPolarHBondContact CD-O 3.47Å; R363-C439 PolarHBondContact NH1-O 2.92Å; V373-C439 HydrophobicContact CB-CB 4.11Å; V373-C439 HydrophobicContact CG1-CB 3.89Å; P375-C439 WeakPolarHBondContact O-CB 3.32Å; P375-C439 PolarHBondContact O-SG 3.31Å; D376-C439 PolarHBondContact O-N 3.1Å
440	N	97.8	Very high	97	Very high	24 Å²	24	48.5 Å²	48.5	13%	0.128	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-18.1	177.6	-54.1	-97.4	0	0	0	113.8	S372 V373 D376 D438 K476	S372-N440 WeakPolarHBondContact CA-OD1 3.45Å; V373-N440 PolarHBondContact N-OD1 2.69Å; D376-N440 WeakPolarHBondContact CB-ND2 3.32Å; D438-N440 PolarHBondContact O-N 2.89Å; D438-N440 WeakPolarHBondContact OD1-CA 3.48Å; D438-N440 WeakPolarHBondContact OD1-CB 3.04Å; D438-N440 PolarHBondContact OD1-N 3.37Å; D438-N440 PolarHBondContact OD1-ND2 2.71Å; N440-K476 VanDerWaalsContact CG-NZ 3.31Å; N440-K476 PolarHBondContact OD1-NZ 3.41Å
441	T	97.3	Very high	97	Very high	97 Å²	97	48 Å²	48	60%	0.595	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.5	-20.1	-175.5	65.8	0	0	0	0	115.1	D438	D438-T441 PolarHBondContact O-N 2.83Å
442	V	97.6	Very high	97	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.03	29%	0.286	C	S	.	.			trans	-62	140	-175	69.6	0	0	0	0	112	L360 R363 L437 D438 E446 L447	L360-V442 HydrophobicContact CD1-CG1 4.12Å; L360-V442 HydrophobicContact CD2-CG1 3.86Å; R363-V442 PolarHBondContact NH1-O 2.87Å; R363-V442 PolarHBondContact NH2-O 3.28Å; L437-V442 HydrophobicContact CD2-CG2 4.17Å; D438-V442 VanDerWaalsContact O-CB 3.25Å; D438-V442 WeakPolarHBondContact O-CB 3.48Å; D438-V442 VanDerWaalsContact O-CG1 3.26Å; D438-V442 WeakPolarHBondContact O-CG1 2.91Å; D438-V442 PolarHBondContact O-N 2.77Å; V442-E446 WeakPolarHBondContact CA-OE2 3.35Å; V442-E446 HydrophobicContact CG2-CB 3.77Å; V442-L447 HydrophobicContact CG2-CD2 3.99Å
443	C	95.8	Very high	97	Very high	63 Å²	63	50 Å²	50	43%	0.426	28%	0.281	S	S	.	.			trans	-100.6	155.8	172.8	-64.9	0	0	0	0	111.6	S445 E446	C443-S445 PolarHBondContact O-N 3.44Å; C443-E446 PolarHBondContact N-OE2 3Å; C443-E446 WeakPolarHBondContact O-CB 3.25Å; C443-E446 PolarHBondContact O-N 2.72Å
444	L	93.2	Very high	97	Very high	53 Å²	53	49.6 Å²	49.6	28%	0.277	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-50	-36.3	176.4	-67.8	167.8	0	0	0	113.2	D357 L360 E446 L447	D357-L444 HydrophobicContact CB-CD2 3.82Å; D357-L444 WeakPolarHBondContact OD1-CD2 3.34Å; L360-L444 HydrophobicContact CD1-CD2 4.08Å; L360-L444 HydrophobicContact CD1-CG 4.31Å; L444-E446 PolarHBondContact O-N 3.36Å; L444-L447 HydrophobicContact CD2-CD1 4.32Å; L444-L447 WeakPolarHBondContact O-CB 3.4Å; L444-L447 PolarHBondContact O-N 2.91Å
445	S	93.3	Very high	97	Very high	96 Å²	96	49 Å²	49	67%	0.671	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-68	-8.9	177.9	55.5	0	0	0	0	115.3	C443	C443-S445 PolarHBondContact O-N 3.44Å
446	E	94.6	Very high	97.1	Very high	89 Å²	89	52.8 Å²	52.8	42%	0.416	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-100.8	-7.3	177.1	-60.3	178.8	96.4	0	0	112.6	Q435 V442 C443 L444	Q435-E446 PolarHBondContact NE2-O 3.09Å; V442-E446 WeakPolarHBondContact CA-OE2 3.35Å; V442-E446 HydrophobicContact CG2-CB 3.77Å; C443-E446 PolarHBondContact N-OE2 3Å; C443-E446 WeakPolarHBondContact O-CB 3.25Å; C443-E446 PolarHBondContact O-N 2.72Å; L444-E446 PolarHBondContact O-N 3.36Å
447	L	95.3	Very high	97.1	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.026	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-27.7	173.1	-50.1	-173.7	0	0	0	111.2	L351 L356 D357 L360 L437 V442 L444 F449	L351-L447 HydrophobicContact CD2-CD2 4.26Å; L356-L447 HydrophobicContact CB-CD1 4.43Å; L356-L447 HydrophobicContact CD2-CD1 3.86Å; L356-L447 HydrophobicContact CD2-CD2 3.52Å; L356-L447 HydrophobicContact CD2-CG 4.35Å; L356-L447 HydrophobicContact CG-CD1 4.08Å; D357-L447 WeakPolarHBondContact OD1-CD1 3.41Å; L360-L447 HydrophobicContact CD1-CD1 4.25Å; L437-L447 HydrophobicContact CD1-CD2 4.1Å; L437-L447 HydrophobicContact CD2-CD2 4.21Å; V442-L447 HydrophobicContact CG2-CD2 3.99Å; L444-L447 HydrophobicContact CD2-CD1 4.32Å; L444-L447 WeakPolarHBondContact O-CB 3.4Å; L444-L447 PolarHBondContact O-N 2.91Å; L447-F449 WeakPolarHBondContact O-CD1 3.43Å
448	E	95.4	Very high	97.1	Very high	84 Å²	84	52.5 Å²	52.5	39%	0.393	29%	0.286	S	S	.	.	S	Bend	trans	-94	104.9	165.3	-61.7	-159.8	-91.2	0	0	109.9	V520 R521 K522	E448-V520 CarbonylContact C-O 3.56Å; E448-V520 VanDerWaalsContact CA-O 3.29Å; E448-V520 WeakPolarHBondContact CA-O 3.29Å; E448-R521 HydrophobicContact CB-CG 4.43Å; E448-R521 WeakPolarHBondContact OE2-CA 3.45Å; E448-R521 WeakPolarHBondContact OE2-CB 3.37Å; E448-R521 WeakPolarHBondContact OE2-CG 3.36Å; E448-K522 HydrophobicContact CG-CG 4.45Å; E448-K522 PolarHBondContact OE2-N 3.23Å
449	F	97.2	Very high	97.1	Very high	12 Å²	12	54.1 Å²	54.1	5%	0.053	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	162.8	-170.2	63.6	-98.3	0	0	0	114.2	L351 I380 Q435 L447 K451 I518 T519 V520	L351-F449 HydrophobicContact CD1-CE1 4.01Å; I380-F449 HydrophobicContact CD1-CE1 3.93Å; I380-F449 HydrophobicContact CD1-CZ 3.86Å; Q435-F449 HydrophobicContact CB-CD1 4.45Å; Q435-F449 HydrophobicContact CB-CD2 4.4Å; Q435-F449 HydrophobicContact CB-CE1 4Å; Q435-F449 HydrophobicContact CB-CE2 3.93Å; Q435-F449 HydrophobicContact CB-CZ 3.71Å; Q435-F449 HydrophobicContact CG-CD1 3.98Å; Q435-F449 HydrophobicContact CG-CE1 3.82Å; Q435-F449 HydrophobicContact CG-CE2 4.48Å; Q435-F449 HydrophobicContact CG-CG 4.39Å; Q435-F449 HydrophobicContact CG-CZ 4.08Å; L447-F449 WeakPolarHBondContact O-CD1 3.43Å; F449-K451 HydrophobicContact CD2-CB 4.43Å; F449-K451 HydrophobicContact CD2-CG 3.6Å; F449-K451 HydrophobicContact CE2-CG 4.15Å; F449-K451 HydrophobicContact CG-CG 4.49Å; F449-I518 HydrophobicContact CE2-CG2 4.36Å; F449-T519 CarbonylContact O-C 3.6Å; F449-T519 WeakPolarHBondContact O-CA 3.43Å; F449-V520 HydrophobicContact CD1-CB 4.25Å; F449-V520 HydrophobicContact CD2-CG2 4.43Å; F449-V520 HydrophobicContact CE1-CB 3.88Å; F449-V520 HydrophobicContact CE1-CG1 4.39Å; F449-V520 HydrophobicContact CE1-CG2 3.97Å; F449-V520 HydrophobicContact CE2-CB 4.21Å; F449-V520 HydrophobicContact CE2-CG2 3.7Å; F449-V520 HydrophobicContact CZ-CB 3.87Å; F449-V520 HydrophobicContact CZ-CG2 3.43Å; F449-V520 VanDerWaalsContact CZ-CG2 3.43Å; F449-V520 PolarHBondContact N-O 3Å; F449-V520 PolarHBondContact O-N 2.94Å
450	T	98.4	Very high	97.1	Very high	83 Å²	83	58.8 Å²	58.8	51%	0.509	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	125.7	171.1	-58.5	0	0	0	0	109.2	K517 I518	T450-K517 HydrophobicContact CG2-CD 3.62Å; T450-K517 HydrophobicContact CG2-CG 3.75Å; T450-I518 CarbonylContact C-O 3.32Å; T450-I518 WeakPolarHBondContact CA-O 3.29Å
451	K	98.3	Very high	97.1	Very high	77 Å²	77	60.5 Å²	60.5	34%	0.335	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	135.8	-172.1	-62.5	-82.2	171.5	142.8	0	110.3	V434 Q435 F449 K517 I518	V434-K451 WeakPolarHBondContact O-CD 3.36Å; V434-K451 VanDerWaalsContact O-CG 3.25Å; V434-K451 WeakPolarHBondContact O-CG 3.44Å; Q435-K451 VanDerWaalsContact OE1-CE 3.23Å; F449-K451 HydrophobicContact CD2-CB 4.43Å; F449-K451 HydrophobicContact CD2-CG 3.6Å; F449-K451 HydrophobicContact CE2-CG 4.15Å; F449-K451 HydrophobicContact CG-CG 4.49Å; K451-K517 CarbonylContact O-C 3.56Å; K451-K517 WeakPolarHBondContact O-CA 3.45Å; K451-I518 HydrophobicContact CB-CG2 4.09Å; K451-I518 PolarHBondContact N-O 2.79Å; K451-I518 PolarHBondContact O-N 3.07Å
452	D	98.1	Very high	97.1	Very high	121 Å²	121	59.2 Å²	59.2	65%	0.647	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	144	166.9	-60.8	-63.5	0	0	0	109.6	G516 K517	D452-G516 WeakPolarHBondContact CA-O 3.24Å; D452-K517 WeakPolarHBondContact OD1-CE 3.31Å; D452-K517 IonicContact OD1-NZ 2.83Å; D452-K517 PolarHBondContact OD1-NZ 2.88Å
453	F	98.1	Very high	97.1	Very high	14 Å²	14	59 Å²	59	6%	0.061	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	158.4	178.2	70.8	-99.3	0	0	0	112.2	L382 V434 L455 I466 K515 G516 K517 I518 F534 L536	L382-F453 HydrophobicContact CD1-CB 4.44Å; L382-F453 HydrophobicContact CD1-CD1 4.06Å; L382-F453 HydrophobicContact CD1-CD2 4.44Å; L382-F453 HydrophobicContact CD1-CE1 4.43Å; L382-F453 HydrophobicContact CD1-CG 4.07Å; V434-F453 HydrophobicContact CG1-CB 3.68Å; F453-L455 HydrophobicContact CD2-CD1 4.31Å; F453-L455 HydrophobicContact CD2-CG 4Å; F453-L455 HydrophobicContact CE2-CD1 4.11Å; F453-L455 HydrophobicContact CE2-CG 4.24Å; F453-I466 HydrophobicContact CE2-CD1 4.39Å; F453-I466 HydrophobicContact CZ-CD1 3.99Å; F453-K515 WeakPolarHBondContact O-CA 3.3Å; F453-G516 VanDerWaalsContact CD1-C 3.5Å; F453-G516 WeakPolarHBondContact CD1-O 3.44Å; F453-G516 PolarHBondContact N-O 3.39Å; F453-G516 PolarHBondContact O-N 2.88Å; F453-K517 VanDerWaalsContact CE1-N 3.34Å; F453-I518 HydrophobicContact CD1-CB 4.19Å; F453-I518 HydrophobicContact CD1-CG2 4.33Å; F453-I518 HydrophobicContact CE1-CB 4.39Å; F453-F534 AromaticContact CE1-CD1 3.68Å; F453-F534 HydrophobicContact CE1-CD1 3.68Å; F453-F534 HydrophobicContact CE1-CE1 4.02Å; F453-F534 AromaticContact CZ-CD1 3.88Å; F453-F534 HydrophobicContact CZ-CD1 3.88Å; F453-F534 HydrophobicContact CZ-CE1 4.26Å; F453-L536 HydrophobicContact CZ-CD2 3.89Å
454	L	98.2	Very high	97.2	Very high	68 Å²	68	56.1 Å²	56.1	36%	0.356	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	114.8	-179.7	-173.3	164.3	0	0	0	108.9	A432 K456 E513 K515	A432-L454 WeakPolarHBondContact CB-O 3.5Å; L454-K456 HydrophobicContact CD2-CB 4.44Å; L454-E513 HydrophobicContact CD2-CB 4.06Å; L454-E513 HydrophobicContact CD2-CG 4.01Å; L454-E513 HydrophobicContact CG-CB 4.2Å; L454-K515 HydrophobicContact CB-CG 4.4Å; L454-K515 HydrophobicContact CD1-CD 4.3Å; L454-K515 HydrophobicContact CD1-CG 4.35Å; L454-K515 HydrophobicContact CG-CD 4.48Å; L454-K515 HydrophobicContact CG-CG 4Å
455	L	98.4	Very high	97.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	112.3	177.4	-60.9	176.9	0	0	0	109	L382 A384 A432 F453 I457 L514	L382-L455 HydrophobicContact CB-CD2 4.22Å; L382-L455 WeakPolarHBondContact O-CD2 3.23Å; A384-L455 HydrophobicContact CB-CD1 4.07Å; A432-L455 HydrophobicContact CB-CD2 3.87Å; F453-L455 HydrophobicContact CD2-CD1 4.31Å; F453-L455 HydrophobicContact CD2-CG 4Å; F453-L455 HydrophobicContact CE2-CD1 4.11Å; F453-L455 HydrophobicContact CE2-CG 4.24Å; L455-I457 PolarHBondContact O-N 3.41Å; L455-L514 HydrophobicContact CB-CB 4.33Å; L455-L514 PolarHBondContact N-O 2.8Å; L455-L514 PolarHBondContact O-N 2.96Å
456	K	98.5	Very high	97.7	Very high	94 Å²	94	49.1 Å²	49.1	41%	0.409	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	111.1	-179.1	171.1	156.9	160.8	-82.3	0	109.7	S429 E430 L454	S429-K456 CarbonylContact C-O 3.57Å; S429-K456 WeakPolarHBondContact CA-O 3.31Å; S429-K456 VanDerWaalsContact CB-O 3.29Å; S429-K456 WeakPolarHBondContact CB-O 3.44Å; E430-K456 HydrophobicContact CB-CB 4.45Å; E430-K456 PolarHBondContact N-O 3.08Å; E430-K456 IonicContact OE1-NZ 2.63Å; E430-K456 PolarHBondContact OE1-NZ 3.37Å; E430-K456 WeakPolarHBondContact OE2-CD 3.36Å; E430-K456 IonicContact OE2-NZ 3.48Å; E430-K456 PolarHBondContact OE2-NZ 2.91Å; L454-K456 HydrophobicContact CD2-CB 4.44Å
457	I	98.7	Very high	97.9	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.015	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-74.7	131.7	-169.6	-56.9	-57.2	0	0	0	110.7	A384 I428 L455 K459 V508 K509 G511 E512 L514	A384-I457 HydrophobicContact CB-CD1 4.21Å; I428-I457 CarbonylContact O-C 3.44Å; I428-I457 WeakPolarHBondContact O-CA 3.14Å; L455-I457 PolarHBondContact O-N 3.41Å; I457-K459 WeakPolarHBondContact CG2-O 3.32Å; I457-V508 HydrophobicContact CD1-CB 4.44Å; I457-V508 HydrophobicContact CD1-CG1 4.49Å; I457-V508 HydrophobicContact CD1-CG2 4.21Å; I457-V508 HydrophobicContact CG1-CB 4.06Å; I457-V508 HydrophobicContact CG1-CG1 4.33Å; I457-V508 HydrophobicContact CG1-CG2 4.24Å; I457-V508 HydrophobicContact CG2-CB 4.03Å; I457-V508 HydrophobicContact CG2-CG2 3.73Å; I457-K509 WeakPolarHBondContact CB-O 3.3Å; I457-K509 VanDerWaalsContact CG2-O 3.28Å; I457-K509 WeakPolarHBondContact CG2-O 3.44Å; I457-G511 PolarHBondContact O-N 3.45Å; I457-E512 WeakPolarHBondContact CB-O 3.38Å; I457-E512 WeakPolarHBondContact CG1-O 3.45Å; I457-E512 PolarHBondContact N-O 3.25Å; I457-L514 HydrophobicContact CD1-CB 3.96Å; I457-L514 HydrophobicContact CG1-CB 4.36Å
458	T	98.4	Very high	98.1	Very high	63 Å²	63	44.6 Å²	44.6	39%	0.387	23%	0.234	S	C	.	.			trans	-108.1	-18.6	-176.5	58.1	0	0	0	0	113.3	I428 E430 A510	I428-T458 VanDerWaalsContact C-OG1 3.24Å; I428-T458 PolarHBondContact O-N 3.47Å; I428-T458 PolarHBondContact O-OG1 3.13Å; E430-T458 HydrophobicContact CG-CG2 4.1Å; T458-A510 WeakPolarHBondContact O-CB 3.49Å
459	K	98	Very high	98.2	Very high	86 Å²	86	41.9 Å²	41.9	37%	0.374	22%	0.22	S	C	.	.	S	Bend	trans	-130.2	139.5	-179.1	-66.5	168.8	-177.3	159.4	0	110.5	E425 L427 I428 I457 T461	E425-K459 PolarHBondContact O-NZ 3.22Å; L427-K459 WeakPolarHBondContact O-CD 3.43Å; L427-K459 WeakPolarHBondContact O-CE 3.26Å; L427-K459 PolarHBondContact O-NZ 3.19Å; I428-K459 HydrophobicContact CB-CB 4.15Å; I428-K459 HydrophobicContact CG2-CB 4.11Å; I428-K459 HydrophobicContact CG2-CD 4.03Å; I457-K459 WeakPolarHBondContact CG2-O 3.32Å; K459-T461 PolarHBondContact O-N 3.36Å
460	T	98.3	Very high	98.3	Very high	97 Å²	97	41.4 Å²	41.4	60%	0.595	22%	0.218	S	C	*	.			trans	-85.1	108.9	173	-60	0	0	0	0	109.7	V508 K509 A510	T460-V508 WeakPolarHBondContact CA-O 3.32Å; T460-K509 HydrophobicContact CG2-CB 4.24Å; T460-K509 HydrophobicContact CG2-CG 4.02Å; T460-K509 WeakPolarHBondContact OG1-CA 3.36Å; T460-A510 PolarHBondContact OG1-N 3.39Å
461	T	97.9	Very high	98.3	Very high	61 Å²	61	38.6 Å²	38.6	37%	0.374	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.5	-176.2	-179.1	-169.5	0	0	0	0	109.3	I428 K459 V508	I428-T461 HydrophobicContact CB-CG2 4.3Å; I428-T461 HydrophobicContact CD1-CG2 3.97Å; I428-T461 HydrophobicContact CG2-CG2 3.59Å; K459-T461 PolarHBondContact O-N 3.36Å; T461-V508 PolarHBondContact N-O 3.31Å; T461-V508 VanDerWaalsContact N-O 3.08Å; T461-V508 VanDerWaalsContact O-CG2 3.27Å; T461-V508 WeakPolarHBondContact O-CG2 3.27Å; T461-V508 PolarHBondContact O-N 3.19Å; T461-V508 VanDerWaalsContact O-O 3.04Å
462	D	97.7	Very high	98.3	Very high	70 Å²	70	34.9 Å²	34.9	37%	0.374	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	129.1	168.8	-65.2	-46.1	0	0	0	111.4	G386 T464 P505 S507	G386-D462 VanDerWaalsContact CA-O 3.3Å; G386-D462 WeakPolarHBondContact CA-O 3.42Å; D462-T464 PolarHBondContact O-N 3.38Å; D462-P505 HydrophobicContact CB-CB 3.78Å; D462-S507 WeakPolarHBondContact OD1-CA 3.41Å; D462-S507 WeakPolarHBondContact OD1-CB 3.3Å; D462-S507 PolarHBondContact OD1-N 3.13Å; D462-S507 PolarHBondContact OD1-OG 2.95Å
463	C	98	Very high	98.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	114.1	167.4	-174.6	0	0	0	0	108.8	V385 I428 P505 I506 V508	V385-C463 CarbonylContact O-C 3.52Å; V385-C463 WeakPolarHBondContact O-CA 3.24Å; I428-C463 HydrophobicContact CD1-CB 3.75Å; C463-P505 CarbonylContact O-C 3.2Å; C463-P505 WeakPolarHBondContact O-CA 3.45Å; C463-P505 WeakPolarHBondContact O-CB 3.3Å; C463-I506 HydrophobicContact CB-CB 4.31Å; C463-I506 WeakPolarHBondContact CB-O 3.4Å; C463-I506 PolarHBondContact N-O 2.79Å; C463-I506 PolarHBondContact O-N 2.93Å; C463-V508 HydrophobicContact CB-CG2 4.33Å
464	T	97.9	Very high	98.3	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.018	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-21.2	-177.1	62.9	0	0	0	0	113.5	V385 D387 H391 D462 L502 P505	V385-T464 PolarHBondContact O-N 2.89Å; D387-T464 PolarHBondContact N-OG1 3.13Å; D387-T464 WeakPolarHBondContact O-CB 3.24Å; D387-T464 WeakPolarHBondContact O-CG2 3.47Å; D387-T464 PolarHBondContact O-OG1 3.41Å; H391-T464 HydrophobicContact CB-CG2 3.92Å; D462-T464 PolarHBondContact O-N 3.38Å; T464-L502 PolarHBondContact O-N 3.34Å; T464-P505 HydrophobicContact CG2-CB 4.09Å; T464-P505 HydrophobicContact CG2-CG 4Å
465	A	98.1	Very high	98.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	161.2	173.2	0	0	0	0	0	112	V385 V499 F500 L501	V385-A465 HydrophobicContact CB-CB 4.18Å; V385-A465 PolarHBondContact N-O 3.21Å; V385-A465 PolarHBondContact O-N 3.12Å; A465-V499 HydrophobicContact CB-CG1 3.7Å; A465-F500 VanDerWaalsContact CA-O 3.26Å; A465-F500 WeakPolarHBondContact CA-O 3.42Å; A465-F500 WeakPolarHBondContact CB-O 3.45Å; A465-L501 HydrophobicContact CB-CD2 4.24Å
466	I	98.5	Very high	97.9	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.5	157.4	-62.3	174.4	0	0	0	106.7	L382 A383 F453 F500 F534 L536	L382-I466 HydrophobicContact CB-CG2 4.33Å; L382-I466 HydrophobicContact CD1-CG2 4.37Å; L382-I466 HydrophobicContact CD2-CG2 4.12Å; A383-I466 WeakPolarHBondContact O-CA 3.42Å; F453-I466 HydrophobicContact CE2-CD1 4.39Å; F453-I466 HydrophobicContact CZ-CD1 3.99Å; I466-F500 PolarHBondContact N-O 3.49Å; I466-F500 WeakPolarHBondContact O-CB 3.2Å; I466-F500 WeakPolarHBondContact O-CD2 3.37Å; I466-F500 PolarHBondContact O-N 3.47Å; I466-F534 HydrophobicContact CB-CE1 4.44Å; I466-F534 HydrophobicContact CB-CZ 4.4Å; I466-F534 HydrophobicContact CD1-CD1 3.64Å; I466-F534 HydrophobicContact CD1-CE1 3.76Å; I466-F534 HydrophobicContact CD1-CG 4.27Å; I466-F534 HydrophobicContact CD1-CZ 4.46Å; I466-F534 HydrophobicContact CG2-CE1 3.95Å; I466-F534 HydrophobicContact CG2-CZ 3.98Å; I466-L536 HydrophobicContact CD1-CD2 4.38Å
467	V	98.7	Very high	97.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	134.4	172.2	63.4	0	0	0	0	110.1	L382 A383 V385 V422 L427 Q497 T498 V499	L382-V467 CarbonylContact C-O 3.58Å; L382-V467 WeakPolarHBondContact CA-O 3.39Å; A383-V467 HydrophobicContact CB-CG1 3.9Å; A383-V467 PolarHBondContact N-O 3.35Å; A383-V467 PolarHBondContact O-N 3.3Å; V385-V467 HydrophobicContact CG2-CB 3.77Å; V385-V467 HydrophobicContact CG2-CG1 3.6Å; V422-V467 HydrophobicContact CG2-CB 4.48Å; V422-V467 HydrophobicContact CG2-CG2 3.87Å; L427-V467 HydrophobicContact CD2-CG1 3.86Å; V467-Q497 HydrophobicContact CG2-CB 3.49Å; V467-Q497 VanDerWaalsContact CG2-CB 3.49Å; V467-Q497 HydrophobicContact CG2-CG 4.16Å; V467-T498 WeakPolarHBondContact CA-O 3.19Å; V467-V499 HydrophobicContact CG2-CG2 4.46Å
468	G	98.6	Very high	97	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	134.8	170.2	0	0	0	0	0	111.5	S381 T498	S381-G468 WeakPolarHBondContact O-CA 3.3Å; G468-T498 PolarHBondContact N-O 3.24Å; G468-T498 PolarHBondContact O-N 2.72Å
469	Y	98.8	Very high	96.6	Very high	26 Å²	26	33.7 Å²	33.7	10%	0.102	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	179.5	172.4	70.8	-90.4	0	0	0	109.6	S381 P431 G487	S381-Y469 PolarHBondContact N-O 3.12Å; S381-Y469 PolarHBondContact O-N 3.34Å; P431-Y469 HydrophobicContact CB-CE1 4.25Å; P431-Y469 WeakPolarHBondContact CB-OH 3.42Å; Y469-G487 VanDerWaalsContact CG-CA 3.49Å
470	F	98.8	Very high	96.5	Very high	3 Å²	3	33.5 Å²	33.5	1%	0.013	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	160	-179	60.7	-101.1	0	0	0	113.9	M346 G347 L350 N379 I472 T486 W495	M346-F470 HydrophobicContact CB-CE2 4.12Å; M346-F470 HydrophobicContact CB-CZ 3.89Å; M346-F470 HydrophobicContact CG-CE2 4.34Å; G347-F470 WeakPolarHBondContact O-CE1 3.39Å; L350-F470 HydrophobicContact CB-CB 4Å; L350-F470 HydrophobicContact CB-CD1 3.85Å; L350-F470 HydrophobicContact CB-CE1 4.45Å; L350-F470 HydrophobicContact CB-CG 4.01Å; L350-F470 HydrophobicContact CD1-CB 4.21Å; L350-F470 HydrophobicContact CD1-CD1 4.32Å; L350-F470 HydrophobicContact CD1-CD2 3.88Å; L350-F470 HydrophobicContact CD1-CE2 4.19Å; L350-F470 HydrophobicContact CD1-CG 3.92Å; L350-F470 HydrophobicContact CD2-CB 4.49Å; L350-F470 HydrophobicContact CG-CB 4.46Å; N379-F470 CarbonylContact O-C 3.52Å; N379-F470 WeakPolarHBondContact O-CA 3.46Å; N379-F470 WeakPolarHBondContact O-CB 3.43Å; F470-I472 HydrophobicContact CD2-CD1 3.57Å; F470-I472 HydrophobicContact CD2-CG1 3.73Å; F470-I472 HydrophobicContact CE2-CD1 3.8Å; F470-I472 HydrophobicContact CE2-CG1 3.8Å; F470-T486 HydrophobicContact CD1-CG2 4.38Å; F470-T486 HydrophobicContact CD2-CG2 3.86Å; F470-T486 HydrophobicContact CE1-CG2 4.06Å; F470-T486 HydrophobicContact CE2-CG2 3.5Å; F470-T486 HydrophobicContact CG-CG2 4.32Å; F470-T486 HydrophobicContact CZ-CG2 3.63Å; F470-T486 PolarHBondContact N-OG1 3.4Å; F470-T486 PolarHBondContact O-N 3Å; F470-T486 PolarHBondContact O-OG1 3.43Å; F470-T486 VanDerWaalsContact O-OG1 3.07Å; F470-W495 HydrophobicContact CE1-CB 4.25Å; F470-W495 HydrophobicContact CE1-CD2 4.42Å; F470-W495 HydrophobicContact CE1-CG 4.05Å; F470-W495 HydrophobicContact CE2-CD2 4.33Å; F470-W495 HydrophobicContact CE2-CE3 4.35Å; F470-W495 HydrophobicContact CZ-CB 4.21Å; F470-W495 AromaticContact CZ-CD1 3.95Å; F470-W495 AromaticContact CZ-CD2 3.57Å; F470-W495 HydrophobicContact CZ-CD2 3.57Å; F470-W495 AromaticContact CZ-CE2 3.82Å; F470-W495 AromaticContact CZ-CE3 4Å; F470-W495 HydrophobicContact CZ-CE3 4Å; F470-W495 AromaticContact CZ-CG 3.66Å; F470-W495 HydrophobicContact CZ-CG 3.66Å; F470-W495 HydrophobicContact CZ-CZ2 4.4Å
471	D	98.7	Very high	96.4	Very high	23 Å²	23	35.5 Å²	35.5	12%	0.123	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	132.5	178.8	-46.8	-74.4	0	0	0	109.2	C378 N379 S381 F473 S485	C378-D471 CarbonylContact C-O 3.5Å; C378-D471 WeakPolarHBondContact CA-O 3.33Å; N379-D471 HydrophobicContact CB-CB 4.17Å; N379-D471 PolarHBondContact N-O 3.31Å; N379-D471 PolarHBondContact O-N 3.14Å; S381-D471 PolarHBondContact OG-OD2 2.91Å; D471-F473 HydrophobicContact CB-CE2 3.83Å; D471-F473 HydrophobicContact CB-CZ 3.9Å; D471-S485 WeakPolarHBondContact OD1-CB 3.48Å; D471-S485 PolarHBondContact OD1-OG 3.39Å
472	I	98.7	Very high	96.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	140.2	-172.7	-56.1	-60.4	0	0	0	109.8	M346 L350 P375 C378 F470 F474 T483 F484	M346-I472 HydrophobicContact CE-CD1 4.33Å; M346-I472 HydrophobicContact CE-CG1 4.31Å; M346-I472 HydrophobicContact CG-CD1 3.91Å; M346-I472 HydrophobicContact SD-CD1 4.38Å; L350-I472 HydrophobicContact CD1-CD1 3.85Å; P375-I472 HydrophobicContact CB-CG2 3.39Å; P375-I472 HydrophobicContact CG-CG2 3.79Å; C378-I472 HydrophobicContact CB-CD1 3.99Å; C378-I472 WeakPolarHBondContact SG-CD1 3.48Å; F470-I472 HydrophobicContact CD2-CD1 3.57Å; F470-I472 HydrophobicContact CD2-CG1 3.73Å; F470-I472 HydrophobicContact CE2-CD1 3.8Å; F470-I472 HydrophobicContact CE2-CG1 3.8Å; I472-F474 HydrophobicContact CG2-CE2 3.91Å; I472-F474 HydrophobicContact CG2-CZ 4.25Å; I472-T483 CarbonylContact O-C 3.43Å; I472-T483 WeakPolarHBondContact O-CA 3.5Å; I472-T483 VanDerWaalsContact O-CB 3.25Å; I472-T483 WeakPolarHBondContact O-CB 3.33Å; I472-T483 PolarHBondContact O-OG1 3.21Å; I472-F484 HydrophobicContact CB-CD1 4.02Å; I472-F484 HydrophobicContact CB-CD2 4.42Å; I472-F484 HydrophobicContact CB-CE1 3.7Å; I472-F484 HydrophobicContact CB-CE2 4.1Å; I472-F484 HydrophobicContact CB-CG 4.39Å; I472-F484 HydrophobicContact CB-CZ 3.75Å; I472-F484 HydrophobicContact CG1-CD2 4.35Å; I472-F484 HydrophobicContact CG1-CE1 4.06Å; I472-F484 HydrophobicContact CG1-CE2 3.69Å; I472-F484 HydrophobicContact CG1-CZ 3.54Å; I472-F484 HydrophobicContact CG2-CD1 4.3Å; I472-F484 HydrophobicContact CG2-CE1 3.7Å; I472-F484 HydrophobicContact CG2-CZ 4.01Å; I472-F484 PolarHBondContact N-O 2.99Å; I472-F484 PolarHBondContact O-N 3.31Å; I472-F484 VanDerWaalsContact O-N 3.07Å
473	F	98.5	Very high	96.4	Very high	45 Å²	45	33.7 Å²	33.7	20%	0.197	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	155.2	-177.5	-53.5	-93	0	0	0	112.1	P375 D376 L377 N379 D471 T483	P375-F473 WeakPolarHBondContact CA-O 3.25Å; P375-F473 VanDerWaalsContact CB-O 3.25Å; P375-F473 WeakPolarHBondContact CB-O 3.17Å; D376-F473 PolarHBondContact N-O 3.35Å; D376-F473 VanDerWaalsContact OD1-C 3.31Å; L377-F473 HydrophobicContact CB-CB 4.1Å; L377-F473 HydrophobicContact CB-CD2 4.14Å; L377-F473 HydrophobicContact CB-CG 4.44Å; L377-F473 WeakPolarHBondContact O-CD2 3.44Å; L377-F473 PolarHBondContact O-N 2.96Å; N379-F473 HydrophobicContact CB-CE2 4.49Å; N379-F473 WeakPolarHBondContact ND2-CE2 3.24Å; D471-F473 HydrophobicContact CB-CE2 3.83Å; D471-F473 HydrophobicContact CB-CZ 3.9Å; F473-T483 HydrophobicContact CD1-CG2 4.49Å; F473-T483 WeakPolarHBondContact CD1-OG1 3.38Å; F473-T483 WeakPolarHBondContact CE1-OG1 3.37Å
474	F	97.9	Very high	96.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	81.2	175.7	-60.8	-92.2	0	0	0	107.8	Y258 F261 Y374 P375 D376 I472 V482 F484	Y258-F474 HydrophobicContact CD1-CE1 4.11Å; Y258-F474 HydrophobicContact CD1-CZ 4.06Å; Y258-F474 HydrophobicContact CD2-CZ 4.02Å; Y258-F474 HydrophobicContact CE1-CE1 4.02Å; Y258-F474 AromaticContact CE1-CZ 3.96Å; Y258-F474 HydrophobicContact CE1-CZ 3.96Å; Y258-F474 AromaticContact CE2-CZ 3.91Å; Y258-F474 HydrophobicContact CE2-CZ 3.91Å; Y258-F474 HydrophobicContact CG-CZ 4.09Å; Y258-F474 AromaticContact CZ-CZ 3.88Å; F261-F474 HydrophobicContact CB-CB 4.14Å; F261-F474 HydrophobicContact CB-CD1 4.06Å; F261-F474 HydrophobicContact CB-CD2 4.41Å; F261-F474 HydrophobicContact CB-CG 3.96Å; F261-F474 AromaticContact CD1-CD1 3.33Å; F261-F474 HydrophobicContact CD1-CD1 3.33Å; F261-F474 AromaticContact CD1-CE1 3.68Å; F261-F474 HydrophobicContact CD1-CE1 3.68Å; F261-F474 HydrophobicContact CD1-CG 4.08Å; F261-F474 HydrophobicContact CD2-CB 3.6Å; F261-F474 AromaticContact CD2-CD1 3.95Å; F261-F474 HydrophobicContact CD2-CD1 3.95Å; F261-F474 HydrophobicContact CD2-CG 4.05Å; F261-F474 AromaticContact CE1-CD1 3.65Å; F261-F474 HydrophobicContact CE1-CD1 3.65Å; F261-F474 HydrophobicContact CE1-CE1 4.07Å; F261-F474 HydrophobicContact CE2-CB 4.13Å; F261-F474 HydrophobicContact CE2-CD1 4.24Å; F261-F474 HydrophobicContact CG-CB 3.83Å; F261-F474 AromaticContact CG-CD1 3.49Å; F261-F474 HydrophobicContact CG-CD1 3.49Å; F261-F474 VanDerWaalsContact CG-CD1 3.49Å; F261-F474 HydrophobicContact CG-CE1 4.2Å; F261-F474 AromaticContact CG-CG 3.76Å; F261-F474 HydrophobicContact CG-CG 3.76Å; F261-F474 HydrophobicContact CZ-CD1 4.1Å; Y374-F474 HydrophobicContact CD1-CD1 4.41Å; P375-F474 HydrophobicContact CB-CD1 4.29Å; P375-F474 HydrophobicContact CB-CE1 3.86Å; P375-F474 HydrophobicContact CB-CE2 4.41Å; P375-F474 HydrophobicContact CB-CZ 3.93Å; D376-F474 WeakPolarHBondContact OD1-CA 3.43Å; D376-F474 PolarHBondContact OD1-N 2.91Å; I472-F474 HydrophobicContact CG2-CE2 3.91Å; I472-F474 HydrophobicContact CG2-CZ 4.25Å; F474-V482 HydrophobicContact CB-CB 4.26Å; F474-V482 HydrophobicContact CD2-CB 4.24Å; F474-V482 HydrophobicContact CD2-CG1 4.27Å; F474-V482 PolarHBondContact N-O 3.04Å; F474-V482 PolarHBondContact O-N 2.87Å; F474-F484 HydrophobicContact CE2-CD1 4.39Å; F474-F484 HydrophobicContact CE2-CE1 4.2Å
475	D	93.8	Very high	96.4	Very high	40 Å²	40	35.2 Å²	35.2	21%	0.214	20%	0.203	C	C	.	.			trans	-116.7	-45.6	-160.1	-104.7	28	0	0	0	113.9	D376 K481	D376-D475 PolarHBondContact OD1-N 3.35Å; D376-D475 WeakPolarHBondContact OD2-CB 3.44Å; D376-D475 PolarHBondContact OD2-N 2.97Å; D475-K481 VanDerWaalsContact CG-CE 3.45Å; D475-K481 VanDerWaalsContact CG-NZ 3.29Å; D475-K481 WeakPolarHBondContact OD1-CB 3.5Å; D475-K481 WeakPolarHBondContact OD1-CD 3.36Å; D475-K481 WeakPolarHBondContact OD1-CG 3.42Å; D475-K481 IonicContact OD1-NZ 2.68Å; D475-K481 VanDerWaalsContact OD2-CE 3.32Å; D475-K481 WeakPolarHBondContact OD2-CE 3.43Å; D475-K481 IonicContact OD2-NZ 2.8Å; D475-K481 PolarHBondContact OD2-NZ 3.48Å
476	K	92.6	Very high	96.5	Very high	75 Å²	75	35.3 Å²	35.3	33%	0.326	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	133.6	-178	-177	177.3	173	-164.3	0	111	G371 S372 Y374 D376 N440 C478	G371-K476 PolarHBondContact O-NZ 2.95Å; S372-K476 WeakPolarHBondContact OG-CD 3.41Å; S372-K476 WeakPolarHBondContact OG-CE 3.32Å; S372-K476 PolarHBondContact OG-NZ 3.47Å; Y374-K476 HydrophobicContact CE1-CB 4.36Å; Y374-K476 WeakPolarHBondContact CE1-O 3.49Å; Y374-K476 PolarHBondContact OH-O 2.98Å; D376-K476 HydrophobicContact CB-CB 4.12Å; D376-K476 WeakPolarHBondContact OD2-CB 3.4Å; D376-K476 PolarHBondContact OD2-N 3.42Å; N440-K476 VanDerWaalsContact CG-NZ 3.31Å; N440-K476 PolarHBondContact OD1-NZ 3.41Å; K476-C478 PolarHBondContact O-N 3.47Å; K476-C478 PolarHBondContact O-SG 3.26Å
477	G	89	Confident	96.5	Very high	67 Å²	67	35.5 Å²	35.5	69%	0.691	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	65	1.7	174.9	0	0	0	0	0	116.7
478	C	90.3	Very high	96.4	Very high	22 Å²	22	36.2 Å²	36.2	15%	0.149	21%	0.211	C	C	.	.			trans	-97.7	142.3	-169.1	-69.5	0	0	0	0	113.8	F261 N265 K476	F261-C478 VanDerWaalsContact CE2-SG 3.59Å; N265-C478 WeakPolarHBondContact OD1-CB 3.29Å; K476-C478 PolarHBondContact O-N 3.47Å; K476-C478 PolarHBondContact O-SG 3.26Å
479	S	90.1	Very high	96.3	Very high	89 Å²	89	43 Å²	43	62%	0.622	24%	0.242	S	C	*	.	S	Bend	trans	-78.3	-35.3	168.9	-56.6	0	0	0	0	112	N265 E267	N265-S479 PolarHBondContact OD1-N 3.11Å; E267-S479 VanDerWaalsContact OE1-CB 3.23Å; E267-S479 WeakPolarHBondContact OE1-CB 3.42Å; E267-S479 PolarHBondContact OE1-OG 2.83Å
480	N	95.1	Very high	96.2	Very high	82 Å²	82	45.5 Å²	45.5	44%	0.439	26%	0.26	S	S	.	.	S	Bend	trans	-122.2	92.8	-175.4	-67.8	-73.7	0	0	0	109.5	K264 N265	K264-N480 HydrophobicContact CB-CB 3.74Å; K264-N480 PolarHBondContact O-ND2 3.07Å; N265-N480 PolarHBondContact ND2-O 2.81Å; N265-N480 PolarHBondContact OD1-N 3.37Å; N265-N480 PolarHBondContact OD1-O 3.15Å
481	K	96.2	Very high	96.1	Very high	138 Å²	138	50.2 Å²	50.2	60%	0.6	29%	0.289	S	S	*	.			trans	-59.2	138.2	176.6	-65	-175.6	160.4	-155.1	0	111.4	D475	D475-K481 VanDerWaalsContact CG-CE 3.45Å; D475-K481 VanDerWaalsContact CG-NZ 3.29Å; D475-K481 WeakPolarHBondContact OD1-CB 3.5Å; D475-K481 WeakPolarHBondContact OD1-CD 3.36Å; D475-K481 WeakPolarHBondContact OD1-CG 3.42Å; D475-K481 IonicContact OD1-NZ 2.68Å; D475-K481 VanDerWaalsContact OD2-CE 3.32Å; D475-K481 WeakPolarHBondContact OD2-CE 3.43Å; D475-K481 IonicContact OD2-NZ 2.8Å; D475-K481 PolarHBondContact OD2-NZ 3.48Å
482	V	97.9	Very high	96	Very high	15 Å²	15	56.4 Å²	56.4	9%	0.091	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.8	174.3	178.6	0	0	0	0	108.9	F261 F474	F261-V482 HydrophobicContact CB-CB 4.15Å; F261-V482 HydrophobicContact CB-CG2 4.19Å; F474-V482 HydrophobicContact CB-CB 4.26Å; F474-V482 HydrophobicContact CD2-CB 4.24Å; F474-V482 HydrophobicContact CD2-CG1 4.27Å; F474-V482 PolarHBondContact N-O 3.04Å; F474-V482 PolarHBondContact O-N 2.87Å
483	T	98	Very high	96	Very high	78 Å²	78	56.8 Å²	56.8	48%	0.479	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	150.6	178.4	174.3	0	0	0	0	110	I472 F473	I472-T483 CarbonylContact O-C 3.43Å; I472-T483 WeakPolarHBondContact O-CA 3.5Å; I472-T483 VanDerWaalsContact O-CB 3.25Å; I472-T483 WeakPolarHBondContact O-CB 3.33Å; I472-T483 PolarHBondContact O-OG1 3.21Å; F473-T483 HydrophobicContact CD1-CG2 4.49Å; F473-T483 WeakPolarHBondContact CD1-OG1 3.38Å; F473-T483 WeakPolarHBondContact CE1-OG1 3.37Å
484	F	98.5	Very high	95.8	Very high	12 Å²	12	55.8 Å²	55.8	5%	0.053	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	164.1	165.9	69.4	-93.1	0	0	0	110.7	V253 Y258 M346 I472 F474 W495	V253-F484 HydrophobicContact CG1-CB 3.76Å; V253-F484 HydrophobicContact CG1-CD2 4.11Å; V253-F484 HydrophobicContact CG1-CG 4.15Å; Y258-F484 HydrophobicContact CE2-CE1 4.38Å; M346-F484 HydrophobicContact CE-CZ 4.02Å; I472-F484 HydrophobicContact CB-CD1 4.02Å; I472-F484 HydrophobicContact CB-CD2 4.42Å; I472-F484 HydrophobicContact CB-CE1 3.7Å; I472-F484 HydrophobicContact CB-CE2 4.1Å; I472-F484 HydrophobicContact CB-CG 4.39Å; I472-F484 HydrophobicContact CB-CZ 3.75Å; I472-F484 HydrophobicContact CG1-CD2 4.35Å; I472-F484 HydrophobicContact CG1-CE1 4.06Å; I472-F484 HydrophobicContact CG1-CE2 3.69Å; I472-F484 HydrophobicContact CG1-CZ 3.54Å; I472-F484 HydrophobicContact CG2-CD1 4.3Å; I472-F484 HydrophobicContact CG2-CE1 3.7Å; I472-F484 HydrophobicContact CG2-CZ 4.01Å; I472-F484 PolarHBondContact N-O 2.99Å; I472-F484 PolarHBondContact O-N 3.31Å; I472-F484 VanDerWaalsContact O-N 3.07Å; F474-F484 HydrophobicContact CE2-CD1 4.39Å; F474-F484 HydrophobicContact CE2-CE1 4.2Å; F484-W495 HydrophobicContact CE2-CE3 4.29Å; F484-W495 HydrophobicContact CE2-CH2 4.07Å; F484-W495 AromaticContact CE2-CZ3 3.48Å; F484-W495 HydrophobicContact CE2-CZ3 3.48Å; F484-W495 VanDerWaalsContact CE2-CZ3 3.48Å; F484-W495 AromaticContact CZ-CH2 3.92Å; F484-W495 HydrophobicContact CZ-CH2 3.92Å; F484-W495 AromaticContact CZ-CZ3 3.8Å; F484-W495 HydrophobicContact CZ-CZ3 3.8Å
485	S	98.6	Very high	95.8	Very high	23 Å²	23	56.1 Å²	56.1	16%	0.161	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	151.1	179	-178.8	0	0	0	0	109.5	D471 G487 V490	D471-S485 WeakPolarHBondContact OD1-CB 3.48Å; D471-S485 PolarHBondContact OD1-OG 3.39Å; S485-G487 PolarHBondContact OG-N 3.24Å; S485-V490 WeakPolarHBondContact O-CG2 3.5Å
486	T	98.7	Very high	96	Very high	3 Å²	3	56.6 Å²	56.6	2%	0.018	31%	0.314	C	S	.	.			trans	-99.6	9.1	166.5	61.3	0	0	0	0	112.3	F470 T493 W495 Q497	F470-T486 HydrophobicContact CD1-CG2 4.38Å; F470-T486 HydrophobicContact CD2-CG2 3.86Å; F470-T486 HydrophobicContact CE1-CG2 4.06Å; F470-T486 HydrophobicContact CE2-CG2 3.5Å; F470-T486 HydrophobicContact CG-CG2 4.32Å; F470-T486 HydrophobicContact CZ-CG2 3.63Å; F470-T486 PolarHBondContact N-OG1 3.4Å; F470-T486 PolarHBondContact O-N 3Å; F470-T486 PolarHBondContact O-OG1 3.43Å; F470-T486 VanDerWaalsContact O-OG1 3.07Å; T486-T493 HydrophobicContact CG2-CG2 4.14Å; T486-T493 WeakPolarHBondContact CG2-OG1 3.23Å; T486-W495 HydrophobicContact CG2-CB 4.14Å; T486-W495 HydrophobicContact CG2-CD2 4.26Å; T486-W495 HydrophobicContact CG2-CE3 3.69Å; T486-W495 HydrophobicContact CG2-CG 4.47Å; T486-W495 HydrophobicContact CG2-CZ3 4.47Å; T486-Q497 WeakPolarHBondContact O-CG 3.36Å; T486-Q497 PolarHBondContact O-NE2 3.09Å
487	G	98.1	Very high	96.3	Very high	4 Å²	4	53.2 Å²	53.2	4%	0.041	30%	0.3	C	S	.	.	S	Bend	trans	-66.5	155.2	-175.3	0	0	0	0	0	115.3	Y469 S485 Q489 V490	Y469-G487 VanDerWaalsContact CG-CA 3.49Å; S485-G487 PolarHBondContact OG-N 3.24Å; G487-Q489 PolarHBondContact O-N 3.2Å; G487-V490 VanDerWaalsContact O-CG2 3.26Å; G487-V490 WeakPolarHBondContact O-CG2 3.49Å; G487-V490 PolarHBondContact O-N 3.08Å
488	P	97.6	Very high	96.7	Very high	16 Å²	16	50.1 Å²	50.1	10%	0.104	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-10.7	-176.2	-22.9	33.6	0	0	0	116	V422 L427 Q497	V422-P488 HydrophobicContact CB-CB 4.17Å; V422-P488 HydrophobicContact CB-CG 4.01Å; V422-P488 HydrophobicContact CG1-CB 4.29Å; V422-P488 HydrophobicContact CG1-CG 4.2Å; L427-P488 HydrophobicContact CD1-CB 4.02Å; L427-P488 HydrophobicContact CD1-CG 4.23Å; L427-P488 HydrophobicContact CD2-CG 4.29Å; L427-P488 HydrophobicContact CG-CB 4.45Å; P488-Q497 HydrophobicContact CG-CG 3.9Å
489	Q	96.2	Very high	97.1	Very high	143 Å²	143	49.1 Å²	49.1	67%	0.668	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	2.3	-176.9	-62.4	-173.2	-16.3	0	0	113.8	A424 L427 G487	A424-Q489 HydrophobicContact CB-CG 4.22Å; L427-Q489 HydrophobicContact CD1-CG 3.73Å; G487-Q489 PolarHBondContact O-N 3.2Å
490	V	97.1	Very high	97.5	Very high	77 Å²	77	44.9 Å²	44.9	47%	0.467	23%	0.231	S	C	.	.	S	Bend	trans	-118.3	176.7	178.3	-61	0	0	0	0	111.9	S485 G487 K492	S485-V490 WeakPolarHBondContact O-CG2 3.5Å; G487-V490 VanDerWaalsContact O-CG2 3.26Å; G487-V490 WeakPolarHBondContact O-CG2 3.49Å; G487-V490 PolarHBondContact O-N 3.08Å; V490-K492 PolarHBondContact O-N 3.12Å
491	T	97.1	Very high	97.6	Very high	103 Å²	103	41.1 Å²	41.1	63%	0.632	21%	0.211	S	C	*	.			trans	-55.9	126.8	174	-55.6	0	0	0	0	110.6	V253	V253-T491 HydrophobicContact CG2-CG2 3.71Å
492	K	96.9	Very high	97.6	Very high	153 Å²	153	34.6 Å²	34.6	67%	0.665	18%	0.183	S	C	*	.			trans	-56.6	139.8	-178.6	68.4	170.3	-172	168.3	0	112.7	V421 V490	V421-K492 HydrophobicContact CG2-CD 4.4Å; V490-K492 PolarHBondContact O-N 3.12Å
493	T	97.9	Very high	97.4	Very high	7 Å²	7	37.3 Å²	37.3	4%	0.043	19%	0.194	C	C	.	.			trans	-104.3	170.3	167.3	54	0	0	0	0	110.2	D251 V253 T486 W495 K496	D251-T493 VanDerWaalsContact OD2-CA 3.24Å; D251-T493 WeakPolarHBondContact OD2-CA 3.2Å; D251-T493 VanDerWaalsContact OD2-CB 3.24Å; D251-T493 WeakPolarHBondContact OD2-CB 3.25Å; V253-T493 HydrophobicContact CB-CG2 3.92Å; V253-T493 HydrophobicContact CG1-CG2 3.81Å; T486-T493 HydrophobicContact CG2-CG2 4.14Å; T486-T493 WeakPolarHBondContact CG2-OG1 3.23Å; T493-W495 VanDerWaalsContact C-N 3.29Å; T493-W495 HydrophobicContact CG2-CE3 4.06Å; T493-W495 HydrophobicContact CG2-CZ3 4.4Å; T493-W495 PolarHBondContact O-N 2.95Å; T493-K496 PolarHBondContact O-N 3.36Å
494	H	94.9	Very high	97.2	Very high	25 Å²	25	39.4 Å²	39.4	12%	0.116	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-30.2	173.8	72.7	-70.1	0	0	0	113	E247 D251 K496	E247-H494 HydrophobicContact CG-CB 3.72Å; D251-H494 IonicContact OD2-CE1 2.82Å; D251-H494 IonicContact OD2-CG 2.66Å; D251-H494 PolarHBondContact OD2-N 3.41Å; D251-H494 IonicContact OD2-ND1 3.15Å; D251-H494 PolarHBondContact OD2-ND1 3.12Å; H494-K496 WeakPolarHBondContact O-CD 3.33Å; H494-K496 WeakPolarHBondContact O-CE 3.33Å; H494-K496 WeakPolarHBondContact O-CG 3.38Å; H494-K496 PolarHBondContact O-N 3.01Å; H494-K496 PolarHBondContact O-NZ 3.2Å; H494-K496 VanDerWaalsContact O-NZ 3.09Å
495	W	97.3	Very high	97.1	Very high	7 Å²	7	41.2 Å²	41.2	3%	0.027	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.3	171.2	-66.1	-66.1	0	0	0	114.6	R254 E344 M346 V419 F470 F484 T486 T493 Q497	R254-W495 HydrophobicContact CB-CH2 4.09Å; R254-W495 HydrophobicContact CB-CZ3 3.94Å; R254-W495 HydrophobicContact CG-CH2 3.63Å; R254-W495 HydrophobicContact CG-CZ3 4.02Å; E344-W495 WeakPolarHBondContact OE1-CZ2 3.33Å; E344-W495 WeakPolarHBondContact OE2-CZ2 3.24Å; M346-W495 HydrophobicContact CB-CZ2 3.93Å; M346-W495 HydrophobicContact CE-CH2 3.67Å; M346-W495 HydrophobicContact CE-CZ2 3.83Å; M346-W495 PolarHBondContact O-NE1 3.12Å; V419-W495 WeakPolarHBondContact CG1-O 3.28Å; F470-W495 HydrophobicContact CE1-CB 4.25Å; F470-W495 HydrophobicContact CE1-CD2 4.42Å; F470-W495 HydrophobicContact CE1-CG 4.05Å; F470-W495 HydrophobicContact CE2-CD2 4.33Å; F470-W495 HydrophobicContact CE2-CE3 4.35Å; F470-W495 HydrophobicContact CZ-CB 4.21Å; F470-W495 AromaticContact CZ-CD1 3.95Å; F470-W495 AromaticContact CZ-CD2 3.57Å; F470-W495 HydrophobicContact CZ-CD2 3.57Å; F470-W495 AromaticContact CZ-CE2 3.82Å; F470-W495 AromaticContact CZ-CE3 4Å; F470-W495 HydrophobicContact CZ-CE3 4Å; F470-W495 AromaticContact CZ-CG 3.66Å; F470-W495 HydrophobicContact CZ-CG 3.66Å; F470-W495 HydrophobicContact CZ-CZ2 4.4Å; F484-W495 HydrophobicContact CE2-CE3 4.29Å; F484-W495 HydrophobicContact CE2-CH2 4.07Å; F484-W495 AromaticContact CE2-CZ3 3.48Å; F484-W495 HydrophobicContact CE2-CZ3 3.48Å; F484-W495 VanDerWaalsContact CE2-CZ3 3.48Å; F484-W495 AromaticContact CZ-CH2 3.92Å; F484-W495 HydrophobicContact CZ-CH2 3.92Å; F484-W495 AromaticContact CZ-CZ3 3.8Å; F484-W495 HydrophobicContact CZ-CZ3 3.8Å; T486-W495 HydrophobicContact CG2-CB 4.14Å; T486-W495 HydrophobicContact CG2-CD2 4.26Å; T486-W495 HydrophobicContact CG2-CE3 3.69Å; T486-W495 HydrophobicContact CG2-CG 4.47Å; T486-W495 HydrophobicContact CG2-CZ3 4.47Å; T493-W495 VanDerWaalsContact C-N 3.29Å; T493-W495 HydrophobicContact CG2-CE3 4.06Å; T493-W495 HydrophobicContact CG2-CZ3 4.4Å; T493-W495 PolarHBondContact O-N 2.95Å; W495-Q497 PolarHBondContact O-N 3.34Å
496	K	97.8	Very high	97	Very high	49 Å²	49	41.6 Å²	41.6	21%	0.213	21%	0.21	C	C	.	.			trans	49.9	-132.7	-172.7	-46.2	123.8	-173.8	149.5	0	109.9	E247 V419 E420 V421 T493 H494	E247-K496 IonicContact OE1-NZ 2.76Å; V419-K496 HydrophobicContact CG1-CD 4.11Å; E420-K496 VanDerWaalsContact O-CB 3.28Å; E420-K496 WeakPolarHBondContact O-CB 3.44Å; V421-K496 HydrophobicContact CG2-CB 4.03Å; V421-K496 HydrophobicContact CG2-CG 3.75Å; T493-K496 PolarHBondContact O-N 3.36Å; H494-K496 WeakPolarHBondContact O-CD 3.33Å; H494-K496 WeakPolarHBondContact O-CE 3.33Å; H494-K496 WeakPolarHBondContact O-CG 3.38Å; H494-K496 PolarHBondContact O-N 3.01Å; H494-K496 PolarHBondContact O-NZ 3.2Å; H494-K496 VanDerWaalsContact O-NZ 3.09Å
497	Q	98.5	Very high	96.9	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.019	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	160.6	169.5	-58.1	85.5	44.2	0	0	111.4	V419 E420 V422 V467 T486 P488 W495	V419-Q497 WeakPolarHBondContact CA-O 3.43Å; E420-Q497 PolarHBondContact N-O 2.89Å; E420-Q497 PolarHBondContact O-N 3.15Å; E420-Q497 VanDerWaalsContact O-O 3.13Å; E420-Q497 PolarHBondContact O-OE1 3Å; V422-Q497 HydrophobicContact CG2-CB 4.43Å; V467-Q497 HydrophobicContact CG2-CB 3.49Å; V467-Q497 VanDerWaalsContact CG2-CB 3.49Å; V467-Q497 HydrophobicContact CG2-CG 4.16Å; T486-Q497 WeakPolarHBondContact O-CG 3.36Å; T486-Q497 PolarHBondContact O-NE2 3.09Å; P488-Q497 HydrophobicContact CG-CG 3.9Å; W495-Q497 PolarHBondContact O-N 3.34Å
498	T	98.5	Very high	96.9	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	121.3	177.8	-53.1	0	0	0	0	110.1	F349 A417 V418 V467 G468 F500 L545	F349-T498 HydrophobicContact CB-CG2 4.27Å; F349-T498 PolarHBondContact N-OG1 3.06Å; A417-T498 HydrophobicContact CB-CG2 3.88Å; V418-T498 CarbonylContact O-C 3.59Å; V418-T498 WeakPolarHBondContact O-CA 3.47Å; V467-T498 WeakPolarHBondContact CA-O 3.19Å; G468-T498 PolarHBondContact N-O 3.24Å; G468-T498 PolarHBondContact O-N 2.72Å; T498-F500 HydrophobicContact CG2-CE1 3.79Å; T498-F500 HydrophobicContact CG2-CE2 4.24Å; T498-F500 HydrophobicContact CG2-CZ 3.61Å; T498-L545 HydrophobicContact CG2-CD1 4.4Å; T498-L545 HydrophobicContact CG2-CD2 4.34Å
499	V	98.2	Very high	96.9	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	121.7	-172.7	-174.7	0	0	0	0	110.3	V418 E420 V422 A465 V467 L501	V418-V499 HydrophobicContact CB-CB 4.48Å; V418-V499 PolarHBondContact N-O 3.11Å; V418-V499 PolarHBondContact O-N 3.22Å; E420-V499 HydrophobicContact CG-CG2 3.79Å; V422-V499 HydrophobicContact CG2-CG2 3.48Å; V422-V499 VanDerWaalsContact CG2-CG2 3.48Å; A465-V499 HydrophobicContact CB-CG1 3.7Å; V467-V499 HydrophobicContact CG2-CG2 4.46Å; V499-L501 HydrophobicContact CG1-CG 4.36Å
500	F	98	Very high	97	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	90.9	177.8	-52.3	-71.7	0	0	0	108.9	F349 A417 A465 I466 T498 L502 V532 F534 Y543	F349-F500 HydrophobicContact CD1-CZ 4.15Å; F349-F500 HydrophobicContact CD2-CE2 4.33Å; F349-F500 HydrophobicContact CD2-CZ 4.2Å; F349-F500 HydrophobicContact CE1-CZ 4.15Å; F349-F500 HydrophobicContact CE2-CE2 4.08Å; F349-F500 HydrophobicContact CE2-CZ 4.23Å; F349-F500 HydrophobicContact CG-CZ 4.19Å; F349-F500 HydrophobicContact CZ-CE2 4.24Å; F349-F500 HydrophobicContact CZ-CZ 4.2Å; A417-F500 HydrophobicContact CB-CD1 3.92Å; A417-F500 HydrophobicContact CB-CE1 3.76Å; A465-F500 VanDerWaalsContact CA-O 3.26Å; A465-F500 WeakPolarHBondContact CA-O 3.42Å; A465-F500 WeakPolarHBondContact CB-O 3.45Å; I466-F500 PolarHBondContact N-O 3.49Å; I466-F500 WeakPolarHBondContact O-CB 3.2Å; I466-F500 WeakPolarHBondContact O-CD2 3.37Å; I466-F500 PolarHBondContact O-N 3.47Å; T498-F500 HydrophobicContact CG2-CE1 3.79Å; T498-F500 HydrophobicContact CG2-CE2 4.24Å; T498-F500 HydrophobicContact CG2-CZ 3.61Å; F500-L502 PolarHBondContact O-N 3.33Å; F500-V532 HydrophobicContact CE1-CB 3.88Å; F500-V532 HydrophobicContact CE1-CG1 3.99Å; F500-V532 HydrophobicContact CE1-CG2 4.02Å; F500-V532 HydrophobicContact CZ-CB 4.19Å; F500-V532 HydrophobicContact CZ-CG1 3.94Å; F500-V532 HydrophobicContact CZ-CG2 4.09Å; F500-F534 HydrophobicContact CB-CE2 3.95Å; F500-F534 HydrophobicContact CD1-CE2 4.04Å; F500-F534 AromaticContact CD2-CE2 3.57Å; F500-F534 HydrophobicContact CD2-CE2 3.57Å; F500-F534 AromaticContact CD2-CZ 3.7Å; F500-F534 HydrophobicContact CD2-CZ 3.7Å; F500-F534 HydrophobicContact CE1-CE2 4.43Å; F500-F534 HydrophobicContact CE2-CE2 4.02Å; F500-F534 HydrophobicContact CE2-CZ 4Å; F500-F534 HydrophobicContact CG-CD2 4.5Å; F500-F534 AromaticContact CG-CE2 3.57Å; F500-F534 HydrophobicContact CG-CE2 3.57Å; F500-F534 HydrophobicContact CG-CZ 4.19Å; F500-F534 HydrophobicContact CZ-CE2 4.42Å; F500-Y543 HydrophobicContact CB-CD1 4.25Å; F500-Y543 HydrophobicContact CB-CD2 4.08Å; F500-Y543 HydrophobicContact CB-CE1 4.04Å; F500-Y543 HydrophobicContact CB-CE2 3.89Å; F500-Y543 HydrophobicContact CB-CG 4.28Å; F500-Y543 HydrophobicContact CD1-CD1 4.11Å; F500-Y543 AromaticContact CD1-CD2 3.83Å; F500-Y543 HydrophobicContact CD1-CD2 3.83Å; F500-Y543 AromaticContact CD1-CG 3.63Å; F500-Y543 HydrophobicContact CD1-CG 3.63Å; F500-Y543 HydrophobicContact CE1-CG 4.49Å; F500-Y543 HydrophobicContact CG-CD2 4.29Å; F500-Y543 HydrophobicContact CG-CG 4.4Å
501	L	96.9	Very high	97	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	126.9	-178.6	-79.1	162.7	0	0	0	111.2	R394 I395 A465 V499 Y543	R394-L501 HydrophobicContact CB-CD1 3.85Å; R394-L501 HydrophobicContact CG-CD1 4.25Å; I395-L501 HydrophobicContact CD1-CB 4.14Å; I395-L501 HydrophobicContact CD1-CD1 4.12Å; I395-L501 HydrophobicContact CG1-CB 4.2Å; I395-L501 HydrophobicContact CG1-CD1 4.25Å; I395-L501 HydrophobicContact CG1-CD2 4.48Å; A465-L501 HydrophobicContact CB-CD2 4.24Å; V499-L501 HydrophobicContact CG1-CG 4.36Å; L501-Y543 VanDerWaalsContact O-CE1 3.28Å; L501-Y543 WeakPolarHBondContact O-CE1 3.38Å; L501-Y543 PolarHBondContact O-OH 3.09Å
502	L	96.2	Very high	97.1	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	122.1	177.8	-57.7	177.6	0	0	0	109.3	H391 T464 F500 K504 I506 L536	H391-L502 PolarHBondContact CD2-O 2.67Å; H391-L502 PolarHBondContact NE2-O 3.19Å; T464-L502 PolarHBondContact O-N 3.34Å; F500-L502 PolarHBondContact O-N 3.33Å; L502-K504 PolarHBondContact O-N 3.08Å; L502-I506 HydrophobicContact CD1-CD1 3.98Å; L502-I506 HydrophobicContact CD1-CG1 4.15Å; L502-L536 HydrophobicContact CD2-CD1 3.95Å
503	E	94.1	Very high	97.1	Very high	72 Å²	72	42 Å²	42	34%	0.336	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-41.5	-40.1	176.9	-174.1	-156.6	141.6	0	0	114.3	I395 V414 Q541	I395-E503 WeakPolarHBondContact CG2-O 3.3Å; V414-E503 HydrophobicContact CG1-CB 3.98Å; V414-E503 HydrophobicContact CG2-CB 4.07Å; V414-E503 HydrophobicContact CG2-CG 4.17Å; E503-Q541 PolarHBondContact OE2-NE2 3.45Å
504	K	93.6	Very high	97	Very high	123 Å²	123	42.2 Å²	42.2	54%	0.535	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	132.2	175.5	-57.3	-177.2	175.9	93.3	0	107.5	L502 R539	L502-K504 PolarHBondContact O-N 3.08Å; K504-R539 PolarHBondContact O-NH1 3.45Å
505	P	96.2	Very high	97.2	Very high	50 Å²	50	45.9 Å²	45.9	33%	0.325	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	164.7	177.3	-24.4	36.1	0	0	0	113.2	D462 C463 T464	D462-P505 HydrophobicContact CB-CB 3.78Å; C463-P505 CarbonylContact O-C 3.2Å; C463-P505 WeakPolarHBondContact O-CA 3.45Å; C463-P505 WeakPolarHBondContact O-CB 3.3Å; T464-P505 HydrophobicContact CG2-CB 4.09Å; T464-P505 HydrophobicContact CG2-CG 4Å
506	I	96.8	Very high	97.2	Very high	30 Å²	30	46.2 Å²	46.2	15%	0.154	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	111.8	176.1	-57.9	175.4	0	0	0	108.8	C463 L502 V508 L514 L536	C463-I506 HydrophobicContact CB-CB 4.31Å; C463-I506 WeakPolarHBondContact CB-O 3.4Å; C463-I506 PolarHBondContact N-O 2.79Å; C463-I506 PolarHBondContact O-N 2.93Å; L502-I506 HydrophobicContact CD1-CD1 3.98Å; L502-I506 HydrophobicContact CD1-CG1 4.15Å; I506-V508 HydrophobicContact CG2-CG1 4.18Å; I506-V508 PolarHBondContact O-N 3.47Å; I506-L514 HydrophobicContact CD1-CD1 4.48Å; I506-L536 HydrophobicContact CD1-CD1 4.1Å
507	S	97.5	Very high	97.2	Very high	92 Å²	92	47.4 Å²	47.4	64%	0.643	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	120.7	177.5	-48.2	0	0	0	0	111.7	D462	D462-S507 WeakPolarHBondContact OD1-CA 3.41Å; D462-S507 WeakPolarHBondContact OD1-CB 3.3Å; D462-S507 PolarHBondContact OD1-N 3.13Å; D462-S507 PolarHBondContact OD1-OG 2.95Å
508	V	97.3	Very high	97.2	Very high	11 Å²	11	47.2 Å²	47.2	7%	0.067	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	155.2	-177.3	-67.7	0	0	0	0	111.9	I428 I457 T460 T461 C463 I506	I428-V508 HydrophobicContact CD1-CG2 3.84Å; I457-V508 HydrophobicContact CD1-CB 4.44Å; I457-V508 HydrophobicContact CD1-CG1 4.49Å; I457-V508 HydrophobicContact CD1-CG2 4.21Å; I457-V508 HydrophobicContact CG1-CB 4.06Å; I457-V508 HydrophobicContact CG1-CG1 4.33Å; I457-V508 HydrophobicContact CG1-CG2 4.24Å; I457-V508 HydrophobicContact CG2-CB 4.03Å; I457-V508 HydrophobicContact CG2-CG2 3.73Å; T460-V508 WeakPolarHBondContact CA-O 3.32Å; T461-V508 PolarHBondContact N-O 3.31Å; T461-V508 VanDerWaalsContact N-O 3.08Å; T461-V508 VanDerWaalsContact O-CG2 3.27Å; T461-V508 WeakPolarHBondContact O-CG2 3.27Å; T461-V508 PolarHBondContact O-N 3.19Å; T461-V508 VanDerWaalsContact O-O 3.04Å; C463-V508 HydrophobicContact CB-CG2 4.33Å; I506-V508 HydrophobicContact CG2-CG1 4.18Å; I506-V508 PolarHBondContact O-N 3.47Å
509	K	98	Very high	97.2	Very high	111 Å²	111	48 Å²	48	48%	0.483	27%	0.266	S	S	.	.			trans	-115.8	148.2	176.1	-52.8	176.5	-149.8	65.3	0	111.4	I457 T460 G511 E512	I457-K509 WeakPolarHBondContact CB-O 3.3Å; I457-K509 VanDerWaalsContact CG2-O 3.28Å; I457-K509 WeakPolarHBondContact CG2-O 3.44Å; T460-K509 HydrophobicContact CG2-CB 4.24Å; T460-K509 HydrophobicContact CG2-CG 4.02Å; T460-K509 WeakPolarHBondContact OG1-CA 3.36Å; K509-G511 PolarHBondContact O-N 3.39Å; K509-E512 HydrophobicContact CB-CG 4.04Å; K509-E512 WeakPolarHBondContact CD-OE1 3.39Å; K509-E512 PolarHBondContact N-OE2 3.49Å; K509-E512 IonicContact NZ-OE1 2.65Å; K509-E512 PolarHBondContact NZ-OE1 3.37Å; K509-E512 IonicContact NZ-OE2 2.61Å; K509-E512 PolarHBondContact NZ-OE2 3.49Å; K509-E512 WeakPolarHBondContact O-CB 3.34Å; K509-E512 PolarHBondContact O-N 3.21Å
510	A	98.3	Very high	97.2	Very high	55 Å²	55	48 Å²	48	46%	0.455	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	126.4	170.9	0	0	0	0	0	110.8	T458 T460	T458-A510 WeakPolarHBondContact O-CB 3.49Å; T460-A510 PolarHBondContact OG1-N 3.39Å
511	G	97.8	Very high	97.1	Very high	65 Å²	65	53.1 Å²	53.1	67%	0.67	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.6	-6.2	-173.8	0	0	0	0	0	115.5	I457 K509	I457-G511 PolarHBondContact O-N 3.45Å; K509-G511 PolarHBondContact O-N 3.39Å
512	E	97.4	Very high	96.9	Very high	72 Å²	72	54.2 Å²	54.2	34%	0.336	29%	0.29	S	S	.	.			trans	-80.7	163.4	169.5	-65.8	177.2	164.4	0	0	111.3	I457 K509	I457-E512 WeakPolarHBondContact CB-O 3.38Å; I457-E512 WeakPolarHBondContact CG1-O 3.45Å; I457-E512 PolarHBondContact N-O 3.25Å; K509-E512 HydrophobicContact CB-CG 4.04Å; K509-E512 WeakPolarHBondContact CD-OE1 3.39Å; K509-E512 PolarHBondContact N-OE2 3.49Å; K509-E512 IonicContact NZ-OE1 2.65Å; K509-E512 PolarHBondContact NZ-OE1 3.37Å; K509-E512 IonicContact NZ-OE2 2.61Å; K509-E512 PolarHBondContact NZ-OE2 3.49Å; K509-E512 WeakPolarHBondContact O-CB 3.34Å; K509-E512 PolarHBondContact O-N 3.21Å
513	E	97.3	Very high	96.5	Very high	101 Å²	101	55.3 Å²	55.3	47%	0.472	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	107.2	-178.8	-62.5	-179.4	136.6	0	0	109.5	L454 K515	L454-E513 HydrophobicContact CD2-CB 4.06Å; L454-E513 HydrophobicContact CD2-CG 4.01Å; L454-E513 HydrophobicContact CG-CB 4.2Å; E513-K515 VanDerWaalsContact CB-CE 3.46Å; E513-K515 HydrophobicContact CB-CG 4.41Å; E513-K515 PolarHBondContact O-N 3.09Å; E513-K515 WeakPolarHBondContact OE2-CE 3.47Å; E513-K515 IonicContact OE2-NZ 2.64Å; E513-K515 PolarHBondContact OE2-NZ 3.48Å
514	L	97.2	Very high	96.1	Very high	13 Å²	13	61.3 Å²	61.3	7%	0.068	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	114.9	172.4	176	60.8	0	0	0	108.7	L455 I457 I506	L455-L514 HydrophobicContact CB-CB 4.33Å; L455-L514 PolarHBondContact N-O 2.8Å; L455-L514 PolarHBondContact O-N 2.96Å; I457-L514 HydrophobicContact CD1-CB 3.96Å; I457-L514 HydrophobicContact CG1-CB 4.36Å; I506-L514 HydrophobicContact CD1-CD1 4.48Å
515	K	97.4	Very high	95.6	Very high	101 Å²	101	62.3 Å²	62.3	44%	0.439	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	144	-175.4	-63	178	-166.7	-171.8	0	110.5	F453 L454 E513 P537	F453-K515 WeakPolarHBondContact O-CA 3.3Å; L454-K515 HydrophobicContact CB-CG 4.4Å; L454-K515 HydrophobicContact CD1-CD 4.3Å; L454-K515 HydrophobicContact CD1-CG 4.35Å; L454-K515 HydrophobicContact CG-CD 4.48Å; L454-K515 HydrophobicContact CG-CG 4Å; E513-K515 VanDerWaalsContact CB-CE 3.46Å; E513-K515 HydrophobicContact CB-CG 4.41Å; E513-K515 PolarHBondContact O-N 3.09Å; E513-K515 WeakPolarHBondContact OE2-CE 3.47Å; E513-K515 IonicContact OE2-NZ 2.64Å; E513-K515 PolarHBondContact OE2-NZ 3.48Å; K515-P537 WeakPolarHBondContact O-CD 3.43Å
516	G	97.7	Very high	95.1	Very high	14 Å²	14	61.8 Å²	61.8	14%	0.144	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169	-168.7	176.8	0	0	0	0	0	111.5	D452 F453 D535	D452-G516 WeakPolarHBondContact CA-O 3.24Å; F453-G516 VanDerWaalsContact CD1-C 3.5Å; F453-G516 WeakPolarHBondContact CD1-O 3.44Å; F453-G516 PolarHBondContact N-O 3.39Å; F453-G516 PolarHBondContact O-N 2.88Å; G516-D535 CarbonylContact C-O 3.6Å; G516-D535 WeakPolarHBondContact CA-O 3.22Å
517	K	98.5	Very high	94.5	Very high	74 Å²	74	61 Å²	61	32%	0.322	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	127.3	178.8	173	172.9	-69	178.7	0	109.9	T450 K451 D452 F453 F534 D535	T450-K517 HydrophobicContact CG2-CD 3.62Å; T450-K517 HydrophobicContact CG2-CG 3.75Å; K451-K517 CarbonylContact O-C 3.56Å; K451-K517 WeakPolarHBondContact O-CA 3.45Å; D452-K517 WeakPolarHBondContact OD1-CE 3.31Å; D452-K517 IonicContact OD1-NZ 2.83Å; D452-K517 PolarHBondContact OD1-NZ 2.88Å; F453-K517 VanDerWaalsContact CE1-N 3.34Å; K517-F534 WeakPolarHBondContact O-CA 3.31Å; K517-D535 HydrophobicContact CB-CB 3.95Å; K517-D535 PolarHBondContact N-O 3.39Å; K517-D535 PolarHBondContact O-N 3.01Å
518	I	98.6	Very high	94	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	139	172.1	-172.6	170.8	0	0	0	109.2	F349 L382 V434 F449 T450 K451 F453 V520 V532 T533 F534	F349-I518 HydrophobicContact CE1-CD1 4.19Å; F349-I518 HydrophobicContact CZ-CD1 3.72Å; L382-I518 HydrophobicContact CD1-CD1 4.2Å; L382-I518 HydrophobicContact CD2-CD1 4.24Å; V434-I518 HydrophobicContact CB-CG2 4.09Å; V434-I518 HydrophobicContact CG1-CG2 4.22Å; V434-I518 HydrophobicContact CG2-CG2 4.26Å; F449-I518 HydrophobicContact CE2-CG2 4.36Å; T450-I518 CarbonylContact C-O 3.32Å; T450-I518 WeakPolarHBondContact CA-O 3.29Å; K451-I518 HydrophobicContact CB-CG2 4.09Å; K451-I518 PolarHBondContact N-O 2.79Å; K451-I518 PolarHBondContact O-N 3.07Å; F453-I518 HydrophobicContact CD1-CB 4.19Å; F453-I518 HydrophobicContact CD1-CG2 4.33Å; F453-I518 HydrophobicContact CE1-CB 4.39Å; I518-V520 HydrophobicContact CD1-CG2 3.98Å; I518-V520 HydrophobicContact CG1-CG2 4.04Å; I518-V532 HydrophobicContact CD1-CG1 3.81Å; I518-V532 HydrophobicContact CG1-CG1 3.97Å; I518-T533 CarbonylContact C-O 3.6Å; I518-T533 WeakPolarHBondContact CA-O 3.46Å; I518-F534 HydrophobicContact CB-CD1 4.46Å; I518-F534 HydrophobicContact CB-CE1 4.18Å; I518-F534 HydrophobicContact CD1-CE1 3.98Å; I518-F534 HydrophobicContact CD1-CZ 3.8Å; I518-F534 HydrophobicContact CG1-CE1 4.13Å; I518-F534 HydrophobicContact CG1-CZ 4.23Å
519	T	98.6	Very high	93.7	Very high	18 Å²	18	57.1 Å²	57.1	11%	0.11	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	119.2	168.7	-53.7	0	0	0	0	108.1	F449 R521 V532 T533	F449-T519 CarbonylContact O-C 3.6Å; F449-T519 WeakPolarHBondContact O-CA 3.43Å; T519-R521 HydrophobicContact CG2-CG 4.1Å; T519-V532 WeakPolarHBondContact O-CA 3.32Å; T519-T533 PolarHBondContact N-O 3.09Å; T519-T533 PolarHBondContact O-N 3.19Å
520	V	97.9	Very high	93.5	Very high	1 Å²	1	52 Å²	52	1%	0.006	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128	174.6	-176.2	0	0	0	0	107.9	F349 E448 F449 I518 L530 V532	F349-V520 HydrophobicContact CE1-CG2 3.83Å; E448-V520 CarbonylContact C-O 3.56Å; E448-V520 VanDerWaalsContact CA-O 3.29Å; E448-V520 WeakPolarHBondContact CA-O 3.29Å; F449-V520 HydrophobicContact CD1-CB 4.25Å; F449-V520 HydrophobicContact CD2-CG2 4.43Å; F449-V520 HydrophobicContact CE1-CB 3.88Å; F449-V520 HydrophobicContact CE1-CG1 4.39Å; F449-V520 HydrophobicContact CE1-CG2 3.97Å; F449-V520 HydrophobicContact CE2-CB 4.21Å; F449-V520 HydrophobicContact CE2-CG2 3.7Å; F449-V520 HydrophobicContact CZ-CB 3.87Å; F449-V520 HydrophobicContact CZ-CG2 3.43Å; F449-V520 VanDerWaalsContact CZ-CG2 3.43Å; F449-V520 PolarHBondContact N-O 3Å; F449-V520 PolarHBondContact O-N 2.94Å; I518-V520 HydrophobicContact CD1-CG2 3.98Å; I518-V520 HydrophobicContact CG1-CG2 4.04Å; V520-L530 HydrophobicContact CG1-CD1 4.35Å; V520-V532 HydrophobicContact CG2-CG1 4.49Å
521	R	95.8	Very high	93.4	Very high	109 Å²	109	52.3 Å²	52.3	41%	0.411	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	153.3	-179.3	-76.9	175.8	-67.3	132.2	6.1	110.1	E448 T519 F531 T533	E448-R521 HydrophobicContact CB-CG 4.43Å; E448-R521 WeakPolarHBondContact OE2-CA 3.45Å; E448-R521 WeakPolarHBondContact OE2-CB 3.37Å; E448-R521 WeakPolarHBondContact OE2-CG 3.36Å; T519-R521 HydrophobicContact CG2-CG 4.1Å; R521-F531 PolarHBondContact N-O 3.28Å; R521-F531 PolarHBondContact O-N 2.96Å; R521-T533 PolarHBondContact NH2-OG1 2.95Å
522	K	92.4	Very high	93.4	Very high	26 Å²	26	49.3 Å²	49.3	11%	0.113	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	150.6	172.5	-68.6	176.8	-178.2	172.6	0	110	S354 D357 E448 L530	S354-K522 WeakPolarHBondContact OG-CE 3.31Å; D357-K522 IonicContact OD1-NZ 2.74Å; D357-K522 PolarHBondContact OD1-NZ 2.65Å; D357-K522 IonicContact OD2-NZ 3.18Å; D357-K522 PolarHBondContact OD2-NZ 3.09Å; E448-K522 HydrophobicContact CG-CG 4.45Å; E448-K522 PolarHBondContact OE2-N 3.23Å; K522-L530 HydrophobicContact CG-CD2 3.99Å
523	N	88.6	Confident	93.5	Very high	24 Å²	24	46 Å²	46	13%	0.128	21%	0.209	C	C	.	.			trans	-72.4	131.3	167.9	176.4	7.7	0	0	0	108.9	K525 D526 S529 F531	N523-K525 VanDerWaalsContact C-N 3.31Å; N523-K525 PolarHBondContact O-N 3.39Å; N523-K525 PolarHBondContact OD1-N 3.42Å; N523-D526 CarbonylContact C-O 3.53Å; N523-D526 VanDerWaalsContact CB-O 3.31Å; N523-D526 WeakPolarHBondContact CB-O 3.48Å; N523-D526 CarbonylContact O-C 3.55Å; N523-S529 PolarHBondContact N-O 2.93Å; N523-F531 HydrophobicContact CB-CD2 3.95Å; N523-F531 HydrophobicContact CB-CE2 3.54Å; N523-F531 HydrophobicContact CB-CZ 4.25Å
524	K	85	Confident	93.5	Very high	198 Å²	198	41.1 Å²	41.1	86%	0.861	19%	0.186	S	C	*	.	S	Bend	trans	-79.1	-13	-178.2	-66.2	-164.1	175	-162.4	0	114.1
525	K	84.1	Confident	93.5	Very high	143 Å²	143	43.4 Å²	43.4	62%	0.622	20%	0.199	S	C	*	.	S	Bend	trans	-92.4	-23.7	172.5	-70.4	-166	170.4	-151.2	0	113	N212 N523	N212-K525 PolarHBondContact O-NZ 3.47Å; N523-K525 VanDerWaalsContact C-N 3.31Å; N523-K525 PolarHBondContact O-N 3.39Å; N523-K525 PolarHBondContact OD1-N 3.42Å
526	D	85.8	Confident	93.4	Very high	40 Å²	40	39.1 Å²	39.1	21%	0.214	18%	0.18	C	C	.	.			trans	-144.5	98.7	-178.3	165.8	13.6	0	0	0	107.4	N523 R528 S529	N523-D526 CarbonylContact C-O 3.53Å; N523-D526 VanDerWaalsContact CB-O 3.31Å; N523-D526 WeakPolarHBondContact CB-O 3.48Å; N523-D526 CarbonylContact O-C 3.55Å; D526-R528 PolarHBondContact O-N 3.31Å; D526-R528 VanDerWaalsContact O-N 3.17Å; D526-R528 WeakPolarHBondContact OD1-CA 3.44Å; D526-R528 VanDerWaalsContact OD1-CB 3.26Å; D526-R528 WeakPolarHBondContact OD1-CB 3.42Å; D526-R528 PolarHBondContact OD1-N 3.42Å; D526-S529 PolarHBondContact O-N 3.42Å; D526-S529 PolarHBondContact OD1-N 2.96Å; D526-S529 WeakPolarHBondContact OD2-CB 3.03Å; D526-S529 PolarHBondContact OD2-N 3.44Å; D526-S529 PolarHBondContact OD2-OG 3.44Å
527	P	84.3	Confident	92.8	Very high	13 Å²	13	43.6 Å²	43.6	8%	0.084	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-13.3	179.7	-24.8	36.6	0	0	0	115.1	A223 V224 L227 S354	A223-P527 HydrophobicContact CB-CB 3.88Å; A223-P527 HydrophobicContact CB-CG 3.88Å; V224-P527 HydrophobicContact CG2-CB 4.18Å; L227-P527 HydrophobicContact CD1-CB 4.48Å; L227-P527 HydrophobicContact CD1-CG 4.34Å; L227-P527 HydrophobicContact CD2-CG 3.95Å; L227-P527 HydrophobicContact CG-CG 4.23Å; S354-P527 VanDerWaalsContact CB-O 3.29Å; S354-P527 WeakPolarHBondContact CB-O 3.37Å; S354-P527 PolarHBondContact OG-O 2.88Å
528	R	86.3	Confident	92.3	Very high	22 Å²	22	45.1 Å²	45.1	8%	0.083	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-35.9	176.2	-56.6	-66.7	-169.7	159.2	2	111.1	D232 Y235 F352 E353 D526	D232-R528 IonicContact OD1-CZ 2.63Å; D232-R528 IonicContact OD1-NE 2.65Å; D232-R528 PolarHBondContact OD1-NE 2.8Å; D232-R528 IonicContact OD1-NH2 3.68Å; D232-R528 PolarHBondContact OD1-NH2 2.73Å; D232-R528 IonicContact OD2-CZ 2.62Å; D232-R528 IonicContact OD2-NH2 2.86Å; D232-R528 PolarHBondContact OD2-NH2 3.31Å; Y235-R528 VanDerWaalsContact CD1-CZ 3.48Å; Y235-R528 VanDerWaalsContact CE1-NH1 3.34Å; F352-R528 WeakPolarHBondContact CD2-O 3.48Å; E353-R528 WeakPolarHBondContact CA-O 3.42Å; E353-R528 PolarHBondContact N-O 3.32Å; E353-R528 WeakPolarHBondContact O-CD 3.09Å; E353-R528 PolarHBondContact O-NH1 2.9Å; D526-R528 PolarHBondContact O-N 3.31Å; D526-R528 VanDerWaalsContact O-N 3.17Å; D526-R528 WeakPolarHBondContact OD1-CA 3.44Å; D526-R528 VanDerWaalsContact OD1-CB 3.26Å; D526-R528 WeakPolarHBondContact OD1-CB 3.42Å; D526-R528 PolarHBondContact OD1-N 3.42Å
529	S	90.4	Very high	92	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-70.5	148.2	174.7	-78.6	0	0	0	0	114.3	N523 D526 L545 Q546	N523-S529 PolarHBondContact N-O 2.93Å; D526-S529 PolarHBondContact O-N 3.42Å; D526-S529 PolarHBondContact OD1-N 2.96Å; D526-S529 WeakPolarHBondContact OD2-CB 3.03Å; D526-S529 PolarHBondContact OD2-N 3.44Å; D526-S529 PolarHBondContact OD2-OG 3.44Å; S529-L545 WeakPolarHBondContact CA-O 3.42Å; S529-Q546 WeakPolarHBondContact OG-CG 3.22Å; S529-Q546 PolarHBondContact OG-NE2 3.47Å
530	L	93.8	Very high	91.9	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.016	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	146.8	172.4	-66.9	-175.9	0	0	0	113.3	L351 F352 V520 K522 L545	L351-L530 HydrophobicContact CB-CD1 3.91Å; F352-L530 HydrophobicContact CB-CD1 4.42Å; V520-L530 HydrophobicContact CG1-CD1 4.35Å; K522-L530 HydrophobicContact CG-CD2 3.99Å; L530-L545 HydrophobicContact CB-CB 4.38Å; L530-L545 PolarHBondContact N-O 3.47Å; L530-L545 PolarHBondContact O-N 2.85Å
531	F	96.6	Very high	91.8	Very high	62 Å²	62	53.1 Å²	53.1	27%	0.272	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	122.6	161.1	-70	-60.2	0	0	0	111	R521 N523 T542 Y543 S544	R521-F531 PolarHBondContact N-O 3.28Å; R521-F531 PolarHBondContact O-N 2.96Å; N523-F531 HydrophobicContact CB-CD2 3.95Å; N523-F531 HydrophobicContact CB-CE2 3.54Å; N523-F531 HydrophobicContact CB-CZ 4.25Å; F531-T542 HydrophobicContact CB-CG2 4.36Å; F531-T542 HydrophobicContact CD1-CG2 4.27Å; F531-Y543 WeakPolarHBondContact CA-O 3.31Å; F531-S544 WeakPolarHBondContact CE1-OG 3.4Å
532	V	98.1	Very high	91.9	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	112.3	175	-174.4	0	0	0	0	109	F349 F500 I518 T519 V520 F534 T542 Y543	F349-V532 HydrophobicContact CD1-CG2 3.81Å; F349-V532 HydrophobicContact CE1-CG1 4.1Å; F349-V532 HydrophobicContact CE1-CG2 3.72Å; F500-V532 HydrophobicContact CE1-CB 3.88Å; F500-V532 HydrophobicContact CE1-CG1 3.99Å; F500-V532 HydrophobicContact CE1-CG2 4.02Å; F500-V532 HydrophobicContact CZ-CB 4.19Å; F500-V532 HydrophobicContact CZ-CG1 3.94Å; F500-V532 HydrophobicContact CZ-CG2 4.09Å; I518-V532 HydrophobicContact CD1-CG1 3.81Å; I518-V532 HydrophobicContact CG1-CG1 3.97Å; T519-V532 WeakPolarHBondContact O-CA 3.32Å; V520-V532 HydrophobicContact CG2-CG1 4.49Å; V532-F534 HydrophobicContact CG1-CD2 4.18Å; V532-F534 HydrophobicContact CG1-CE2 3.54Å; V532-F534 HydrophobicContact CG1-CZ 4.06Å; V532-T542 WeakPolarHBondContact O-CA 3.44Å; V532-Y543 PolarHBondContact N-O 3.05Å; V532-Y543 PolarHBondContact O-N 2.83Å
533	T	98.4	Very high	92.1	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.012	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.5	178.1	-55.3	0	0	0	0	111	I518 T519 R521 K540 Q541 T542	I518-T533 CarbonylContact C-O 3.6Å; I518-T533 WeakPolarHBondContact CA-O 3.46Å; T519-T533 PolarHBondContact N-O 3.09Å; T519-T533 PolarHBondContact O-N 3.19Å; R521-T533 PolarHBondContact NH2-OG1 2.95Å; T533-K540 HydrophobicContact CG2-CD 4.26Å; T533-K540 VanDerWaalsContact CG2-CE 3.43Å; T533-K540 HydrophobicContact CG2-CG 3.82Å; T533-Q541 CarbonylContact C-O 3Å; T533-Q541 WeakPolarHBondContact CA-O 3.26Å; T533-T542 VanDerWaalsContact CG2-OG1 3.28Å; T533-T542 WeakPolarHBondContact CG2-OG1 3.26Å; T533-T542 WeakPolarHBondContact OG1-CG2 3.46Å; T533-T542 PolarHBondContact OG1-OG1 3.05Å
534	F	98.4	Very high	92.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	121.9	168.9	-70.4	-86.9	0	0	0	110.4	L382 F453 I466 F500 K517 I518 V532 L536 K540 Q541 Y543	L382-F534 HydrophobicContact CD1-CE1 3.84Å; L382-F534 HydrophobicContact CD1-CZ 4.41Å; L382-F534 HydrophobicContact CD2-CZ 4.31Å; F453-F534 AromaticContact CE1-CD1 3.68Å; F453-F534 HydrophobicContact CE1-CD1 3.68Å; F453-F534 HydrophobicContact CE1-CE1 4.02Å; F453-F534 AromaticContact CZ-CD1 3.88Å; F453-F534 HydrophobicContact CZ-CD1 3.88Å; F453-F534 HydrophobicContact CZ-CE1 4.26Å; I466-F534 HydrophobicContact CB-CE1 4.44Å; I466-F534 HydrophobicContact CB-CZ 4.4Å; I466-F534 HydrophobicContact CD1-CD1 3.64Å; I466-F534 HydrophobicContact CD1-CE1 3.76Å; I466-F534 HydrophobicContact CD1-CG 4.27Å; I466-F534 HydrophobicContact CD1-CZ 4.46Å; I466-F534 HydrophobicContact CG2-CE1 3.95Å; I466-F534 HydrophobicContact CG2-CZ 3.98Å; F500-F534 HydrophobicContact CB-CE2 3.95Å; F500-F534 HydrophobicContact CD1-CE2 4.04Å; F500-F534 AromaticContact CD2-CE2 3.57Å; F500-F534 HydrophobicContact CD2-CE2 3.57Å; F500-F534 AromaticContact CD2-CZ 3.7Å; F500-F534 HydrophobicContact CD2-CZ 3.7Å; F500-F534 HydrophobicContact CE1-CE2 4.43Å; F500-F534 HydrophobicContact CE2-CE2 4.02Å; F500-F534 HydrophobicContact CE2-CZ 4Å; F500-F534 HydrophobicContact CG-CD2 4.5Å; F500-F534 AromaticContact CG-CE2 3.57Å; F500-F534 HydrophobicContact CG-CE2 3.57Å; F500-F534 HydrophobicContact CG-CZ 4.19Å; F500-F534 HydrophobicContact CZ-CE2 4.42Å; K517-F534 WeakPolarHBondContact O-CA 3.31Å; I518-F534 HydrophobicContact CB-CD1 4.46Å; I518-F534 HydrophobicContact CB-CE1 4.18Å; I518-F534 HydrophobicContact CD1-CE1 3.98Å; I518-F534 HydrophobicContact CD1-CZ 3.8Å; I518-F534 HydrophobicContact CG1-CE1 4.13Å; I518-F534 HydrophobicContact CG1-CZ 4.23Å; V532-F534 HydrophobicContact CG1-CD2 4.18Å; V532-F534 HydrophobicContact CG1-CE2 3.54Å; V532-F534 HydrophobicContact CG1-CZ 4.06Å; F534-L536 HydrophobicContact CB-CG 4.36Å; F534-K540 WeakPolarHBondContact O-CA 3.43Å; F534-Q541 PolarHBondContact N-O 2.73Å; F534-Q541 PolarHBondContact O-N 3.31Å; F534-Y543 AromaticContact CD2-CD2 3.87Å; F534-Y543 HydrophobicContact CD2-CD2 3.87Å; F534-Y543 AromaticContact CD2-CE2 3.73Å; F534-Y543 HydrophobicContact CD2-CE2 3.73Å; F534-Y543 HydrophobicContact CE2-CD2 4.27Å; F534-Y543 HydrophobicContact CE2-CE2 4.36Å
535	D	97.8	Very high	92.5	Very high	61 Å²	61	40.5 Å²	40.5	33%	0.326	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	111.8	167.7	-131	-35.6	0	0	0	107.3	G516 K517 K540	G516-D535 CarbonylContact C-O 3.6Å; G516-D535 WeakPolarHBondContact CA-O 3.22Å; K517-D535 HydrophobicContact CB-CB 3.95Å; K517-D535 PolarHBondContact N-O 3.39Å; K517-D535 PolarHBondContact O-N 3.01Å; D535-K540 IonicContact OD2-NZ 2.69Å; D535-K540 PolarHBondContact OD2-NZ 2.87Å
536	L	95.3	Very high	92.3	Very high	10 Å²	10	41 Å²	41	5%	0.052	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	163	-176.2	-62.6	176	0	0	0	109.5	F453 I466 L502 I506 F534 D538 R539	F453-L536 HydrophobicContact CZ-CD2 3.89Å; I466-L536 HydrophobicContact CD1-CD2 4.38Å; L502-L536 HydrophobicContact CD2-CD1 3.95Å; I506-L536 HydrophobicContact CD1-CD1 4.1Å; F534-L536 HydrophobicContact CB-CG 4.36Å; L536-D538 PolarHBondContact O-N 3.33Å; L536-R539 CarbonylContact C-O 3.47Å; L536-R539 WeakPolarHBondContact CA-O 3.33Å; L536-R539 HydrophobicContact CB-CG 4.01Å; L536-R539 HydrophobicContact CD1-CG 4.23Å; L536-R539 PolarHBondContact N-O 3.5Å; L536-R539 PolarHBondContact O-N 3Å
537	P	85.1	Confident	92.6	Very high	109 Å²	109	41.1 Å²	41.1	71%	0.708	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.2	-167.9	-26.9	36.7	0	0	0	116	K515	K515-P537 WeakPolarHBondContact O-CD 3.43Å
538	D	86.5	Confident	93	Very high	106 Å²	106	42.5 Å²	42.5	57%	0.567	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.9	-9.2	-178.4	69.4	-28.3	0	0	0	114.3	L536	L536-D538 PolarHBondContact O-N 3.33Å
539	R	93.1	Very high	93.4	Very high	48 Å²	48	43.7 Å²	43.7	18%	0.181	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	164.1	-168.8	73.8	-169.3	74.8	173.4	0.3	113.3	K504 L536 Q541	K504-R539 PolarHBondContact O-NH1 3.45Å; L536-R539 CarbonylContact C-O 3.47Å; L536-R539 WeakPolarHBondContact CA-O 3.33Å; L536-R539 HydrophobicContact CB-CG 4.01Å; L536-R539 HydrophobicContact CD1-CG 4.23Å; L536-R539 PolarHBondContact N-O 3.5Å; L536-R539 PolarHBondContact O-N 3Å; R539-Q541 HydrophobicContact CG-CG 4.39Å
540	K	96.2	Very high	93.6	Very high	127 Å²	127	46.2 Å²	46.2	55%	0.552	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.3	169.9	-172.4	170.2	-169.9	137.3	0	109.9	T533 F534 D535	T533-K540 HydrophobicContact CG2-CD 4.26Å; T533-K540 VanDerWaalsContact CG2-CE 3.43Å; T533-K540 HydrophobicContact CG2-CG 3.82Å; F534-K540 WeakPolarHBondContact O-CA 3.43Å; D535-K540 IonicContact OD2-NZ 2.69Å; D535-K540 PolarHBondContact OD2-NZ 2.87Å
541	Q	96.4	Very high	93.6	Very high	12 Å²	12	48.9 Å²	48.9	6%	0.056	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	135.6	-177.5	-72.1	175.4	-38.8	0	0	109.1	E503 T533 F534 R539 Y543	E503-Q541 PolarHBondContact OE2-NE2 3.45Å; T533-Q541 CarbonylContact C-O 3Å; T533-Q541 WeakPolarHBondContact CA-O 3.26Å; F534-Q541 PolarHBondContact N-O 2.73Å; F534-Q541 PolarHBondContact O-N 3.31Å; R539-Q541 HydrophobicContact CG-CG 4.39Å; Q541-Y543 HydrophobicContact CB-CE2 3.96Å
542	T	97.1	Very high	93.4	Very high	61 Å²	61	48.1 Å²	48.1	37%	0.374	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	131	178.8	-59.7	0	0	0	0	109	F531 V532 T533	F531-T542 HydrophobicContact CB-CG2 4.36Å; F531-T542 HydrophobicContact CD1-CG2 4.27Å; V532-T542 WeakPolarHBondContact O-CA 3.44Å; T533-T542 VanDerWaalsContact CG2-OG1 3.28Å; T533-T542 WeakPolarHBondContact CG2-OG1 3.26Å; T533-T542 WeakPolarHBondContact OG1-CG2 3.46Å; T533-T542 PolarHBondContact OG1-OG1 3.05Å
543	Y	97.1	Very high	93	Very high	3 Å²	3	51.4 Å²	51.4	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	142.1	179.4	-56.4	-93.2	0	0	0	109.2	V414 P415 F500 L501 F531 V532 F534 Q541	V414-Y543 VanDerWaalsContact O-CD1 3.26Å; V414-Y543 WeakPolarHBondContact O-CD1 3.42Å; V414-Y543 WeakPolarHBondContact O-CE1 3.27Å; P415-Y543 CarbonylContact O-C 3.46Å; P415-Y543 WeakPolarHBondContact O-CA 3.42Å; F500-Y543 HydrophobicContact CB-CD1 4.25Å; F500-Y543 HydrophobicContact CB-CD2 4.08Å; F500-Y543 HydrophobicContact CB-CE1 4.04Å; F500-Y543 HydrophobicContact CB-CE2 3.89Å; F500-Y543 HydrophobicContact CB-CG 4.28Å; F500-Y543 HydrophobicContact CD1-CD1 4.11Å; F500-Y543 AromaticContact CD1-CD2 3.83Å; F500-Y543 HydrophobicContact CD1-CD2 3.83Å; F500-Y543 AromaticContact CD1-CG 3.63Å; F500-Y543 HydrophobicContact CD1-CG 3.63Å; F500-Y543 HydrophobicContact CE1-CG 4.49Å; F500-Y543 HydrophobicContact CG-CD2 4.29Å; F500-Y543 HydrophobicContact CG-CG 4.4Å; L501-Y543 VanDerWaalsContact O-CE1 3.28Å; L501-Y543 WeakPolarHBondContact O-CE1 3.38Å; L501-Y543 PolarHBondContact O-OH 3.09Å; F531-Y543 WeakPolarHBondContact CA-O 3.31Å; V532-Y543 PolarHBondContact N-O 3.05Å; V532-Y543 PolarHBondContact O-N 2.83Å; F534-Y543 AromaticContact CD2-CD2 3.87Å; F534-Y543 HydrophobicContact CD2-CD2 3.87Å; F534-Y543 AromaticContact CD2-CE2 3.73Å; F534-Y543 HydrophobicContact CD2-CE2 3.73Å; F534-Y543 HydrophobicContact CE2-CD2 4.27Å; F534-Y543 HydrophobicContact CE2-CE2 4.36Å; Q541-Y543 HydrophobicContact CB-CE2 3.96Å
544	S	93.6	Very high	92.6	Very high	21 Å²	21	55.2 Å²	55.2	15%	0.147	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	140.3	167	-149.3	0	0	0	0	108.4	P415 A417 F531 Q546	P415-S544 PolarHBondContact O-N 3.42Å; A417-S544 WeakPolarHBondContact CB-O 3.43Å; A417-S544 PolarHBondContact N-O 3.06Å; F531-S544 WeakPolarHBondContact CE1-OG 3.4Å; S544-Q546 VanDerWaalsContact OG-CG 3.24Å; S544-Q546 WeakPolarHBondContact OG-CG 3.23Å; S544-Q546 PolarHBondContact OG-OE1 3.17Å
545	L	89.1	Confident	92.1	Very high	6 Å²	6	59.8 Å²	59.8	3%	0.031	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	114	167.3	-177.3	64.2	0	0	0	105.7	F349 F352 A417 V419 T498 S529 L530	F349-L545 HydrophobicContact CB-CD2 3.98Å; F352-L545 HydrophobicContact CB-CD2 3.87Å; F352-L545 HydrophobicContact CB-CG 4.43Å; F352-L545 HydrophobicContact CD2-CB 4.44Å; F352-L545 HydrophobicContact CD2-CD2 4.14Å; F352-L545 HydrophobicContact CD2-CG 3.78Å; F352-L545 HydrophobicContact CE2-CG 4.23Å; F352-L545 WeakPolarHBondContact CE2-O 3.14Å; F352-L545 HydrophobicContact CG-CD2 4.08Å; F352-L545 HydrophobicContact CG-CG 4.1Å; A417-L545 HydrophobicContact CB-CB 4.29Å; A417-L545 HydrophobicContact CB-CD1 4.15Å; V419-L545 HydrophobicContact CG2-CD1 3.84Å; T498-L545 HydrophobicContact CG2-CD1 4.4Å; T498-L545 HydrophobicContact CG2-CD2 4.34Å; S529-L545 WeakPolarHBondContact CA-O 3.42Å; L530-L545 HydrophobicContact CB-CB 4.38Å; L530-L545 PolarHBondContact N-O 3.47Å; L530-L545 PolarHBondContact O-N 2.85Å
546	Q	78.3	Confident	91.6	Very high	154 Å²	154	59.7 Å²	59.7	72%	0.72	31%	0.309	S	S	*	.			trans	-136.3	0	-169.1	-49.5	-155.3	-107	0	0	109.7	F352 S529 S544	F352-Q546 VanDerWaalsContact CZ-C 3.46Å; F352-Q546 WeakPolarHBondContact CZ-OXT 3.49Å; S529-Q546 WeakPolarHBondContact OG-CG 3.22Å; S529-Q546 PolarHBondContact OG-NE2 3.47Å; S544-Q546 VanDerWaalsContact OG-CG 3.24Å; S544-Q546 WeakPolarHBondContact OG-CG 3.23Å; S544-Q546 PolarHBondContact OG-OE1 3.17Å

Retrieved 546 of 546 residues in 181.4 ms (Link to these results)

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