A0A087XEC1_POEFO Loading...

Ribosomal protein S6 kinase

AlphaFold DB , UniProt , Accession A0A087XEC1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 727 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	37	Very low	28.6	Very low	246 Å²	246	149 Å²	149	100%	1.212	84%	0.836	S	S	*	*				0	116.6	0	-86	174.4	168.2	0	0	107.2
2	E	29.5	Very low	28.4	Very low	185 Å²	185	141.8 Å²	141.8	86%	0.864	82%	0.82	S	S	*	*			trans	-58.5	137.1	-177.2	-66.1	150	141.3	0	0	111.5
3	V	32.2	Very low	28.4	Very low	122 Å²	122	145.2 Å²	145.2	74%	0.739	82%	0.823	S	S	*	*				51.7	107.4	81.2	-165.9	0	0	0	0	114.4
4	N	25.9	Very low	28.3	Very low	154 Å²	154	148 Å²	148	82%	0.824	83%	0.826	S	S	*	*				-176.2	142.2	116.7	-99.9	-31.6	0	0	0	114.5
5	S	28.5	Very low	28.3	Very low	99 Å²	99	149.1 Å²	149.1	69%	0.692	83%	0.827	S	S	*	*			trans	-70	164.7	173.1	50.6	0	0	0	0	114.8
6	V	27.3	Very low	28.2	Very low	135 Å²	135	149.9 Å²	149.9	82%	0.818	83%	0.825	S	S	*	*				176.5	150	111.9	168.1	0	0	0	0	110.9
7	S	25.8	Very low	28.3	Very low	99 Å²	99	150.7 Å²	150.7	69%	0.692	83%	0.828	S	S	*	*			trans	-83.2	-178.2	-167	45.2	0	0	0	0	118.9
8	S	25.1	Very low	28.2	Very low	109 Å²	109	152.4 Å²	152.4	76%	0.762	83%	0.829	S	S	*	*			trans	99.5	136.8	156.4	80.8	0	0	0	0	115.4
9	E	25.7	Very low	28.3	Very low	186 Å²	186	150.6 Å²	150.6	87%	0.869	83%	0.826	S	S	*	*			cis	-148.8	160.3	21.5	-73	179.6	140.8	0	0	112.8
10	V	29.4	Very low	28.3	Very low	139 Å²	139	152.6 Å²	152.6	84%	0.842	83%	0.832	S	S	*	*			trans	-95.8	132.2	176.7	174.9	0	0	0	0	108.9
11	N	28	Very low	28.3	Very low	165 Å²	165	154.4 Å²	154.4	88%	0.882	84%	0.835	S	S	*	*			trans	-113	102.4	166.3	-109.9	-9.9	0	0	0	110.1
12	G	26.3	Very low	28.1	Very low	62 Å²	62	152.2 Å²	152.2	64%	0.639	82%	0.821	S	S	*	*			trans	-84.5	135.8	166.1	0	0	0	0	0	110.4
13	H	28.6	Very low	28.1	Very low	187 Å²	187	147 Å²	147	87%	0.866	82%	0.817	S	S	*	*			trans	-103	103	163.6	-106.4	39.1	0	0	0	108.2
14	Q	26.4	Very low	27.9	Very low	184 Å²	184	150.1 Å²	150.1	86%	0.86	82%	0.823	S	S	*	*			trans	-77.1	125.7	161.1	-81.2	174	-24.4	0	0	108.1
15	I	28.1	Very low	27.9	Very low	164 Å²	164	148.5 Å²	148.5	84%	0.841	82%	0.824	S	S	*	*			trans	-88.5	113.3	167.1	-63.6	172.5	0	0	0	105.7
16	M	26.9	Very low	27.9	Very low	162 Å²	162	153.7 Å²	153.7	80%	0.798	83%	0.834	S	S	*	*			trans	-82.7	133.3	173.1	-73.8	175.7	70.5	0	0	109.8
17	D	29.7	Very low	27.9	Very low	164 Å²	164	152.9 Å²	152.9	88%	0.877	84%	0.835	S	S	*	*			trans	-65.6	132.2	162.4	-78.7	-45.4	0	0	0	110.1
18	E	27.8	Very low	28	Very low	181 Å²	181	157.2 Å²	157.2	85%	0.846	84%	0.844	S	S	*	*			trans	-132.1	147.5	158.1	-87	-157.1	164.3	0	0	111.3
19	P	30.3	Very low	28	Very low	119 Å²	119	158.4 Å²	158.4	77%	0.773	85%	0.851	S	S	*	*			trans	-85.8	157	-162	35.2	-34.3	0	0	0	113.5	E21	P19-E21 PolarHBondContact O-N 2.83Å
20	M	27	Very low	28.1	Very low	190 Å²	190	157.1 Å²	157.1	94%	0.936	85%	0.85	S	S	*	*			trans	-81.5	111.3	-177.3	-159.4	173.8	74.8	0	0	110.5
21	E	29.2	Very low	28.3	Very low	191 Å²	191	156.8 Å²	156.8	89%	0.893	84%	0.843	S	S	*	*			trans	-78.2	138.4	170.9	-82.5	-173	154.1	0	0	112	P19	P19-E21 PolarHBondContact O-N 2.83Å
22	E	32.2	Very low	28.3	Very low	200 Å²	200	151.3 Å²	151.3	94%	0.935	83%	0.826	S	S	*	*			trans	-81.7	138.6	169.7	-70.1	-177.5	152.1	0	0	111
23	G	30.3	Very low	28.4	Very low	74 Å²	74	153.9 Å²	153.9	76%	0.763	83%	0.83	S	S	*	*			trans	121.2	98.9	150.6	0	0	0	0	0	115.7
24	E	27.8	Very low	28.4	Very low	188 Å²	188	155.4 Å²	155.4	88%	0.879	83%	0.829	S	S	*	*			trans	-134.7	122.4	149.6	-77.7	-166.5	158.5	0	0	111
25	S	25.9	Very low	28.4	Very low	121 Å²	121	155.8 Å²	155.8	85%	0.846	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-73.6	127.1	175.7	49.1	0	0	0	0	111.6
26	F	28.1	Very low	28.3	Very low	207 Å²	207	157 Å²	157	91%	0.908	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-86.1	123.9	169.5	-89.7	-88.9	0	0	0	111.5
27	S	26.8	Very low	28.2	Very low	118 Å²	118	156 Å²	156	83%	0.825	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-71.7	146.7	174.3	43.7	0	0	0	0	112.6
28	H	28.3	Very low	27.9	Very low	191 Å²	191	153.5 Å²	153.5	88%	0.884	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-85.8	135.8	179.7	-131	51.1	0	0	0	111.2
29	C	24.8	Very low	28	Very low	134 Å²	134	151.9 Å²	151.9	91%	0.905	82%	0.815	S	S	*	*			trans	169.9	136.5	153.7	-83.1	0	0	0	0	106.1
30	D	27.9	Very low	27.9	Very low	159 Å²	159	151.2 Å²	151.2	85%	0.85	81%	0.809	S	S	*	*			cis	-159.4	163.6	-1.9	-173.1	20.5	0	0	0	107.6
31	D	34.3	Very low	28.2	Very low	131 Å²	131	149 Å²	149	70%	0.701	80%	0.796	S	S	*	*			trans	-54.9	129.2	-169.8	-176.2	13.3	0	0	0	116.5	T33	D31-T33 PolarHBondContact OD1-N 3.26Å; D31-T33 VanDerWaalsContact OD1-N 3.07Å
32	G	26.8	Very low	28.8	Very low	51 Å²	51	146.8 Å²	146.8	53%	0.526	79%	0.785	S	S	.	*			trans	-138.2	62.9	168.5	0	0	0	0	0	110.6	Y34	G32-Y34 WeakPolarHBondContact O-CD2 3.31Å; G32-Y34 PolarHBondContact O-N 3.49Å
33	T	29.3	Very low	29.1	Very low	116 Å²	116	139.4 Å²	139.4	71%	0.712	75%	0.754	S	S	*	*			trans	1	81.3	161.1	-25.6	0	0	0	0	116.2	D31 K35	D31-T33 PolarHBondContact OD1-N 3.26Å; D31-T33 VanDerWaalsContact OD1-N 3.07Å; T33-K35 PolarHBondContact O-N 3.22Å
34	Y	28.9	Very low	29.4	Very low	218 Å²	218	144 Å²	144	86%	0.855	75%	0.752	S	S	*	*			trans	-77.2	111.9	164	-65.2	-81.9	0	0	0	107.9	G32 E36	G32-Y34 WeakPolarHBondContact O-CD2 3.31Å; G32-Y34 PolarHBondContact O-N 3.49Å; Y34-E36 PolarHBondContact O-N 3.2Å
35	K	26.2	Very low	29.5	Very low	193 Å²	193	144.8 Å²	144.8	84%	0.839	76%	0.756	S	S	*	*			trans	-63.6	107.1	166.4	-80.4	-176.8	176.8	177.5	0	108.2	T33 I37	T33-K35 PolarHBondContact O-N 3.22Å; K35-I37 PolarHBondContact O-N 2.73Å; K35-I37 VanDerWaalsContact O-N 3.16Å
36	E	25.8	Very low	30.1	Very low	189 Å²	189	143.1 Å²	143.1	88%	0.883	76%	0.758	S	S	*	*			trans	-57.7	115.3	167.3	-68.6	-174.5	159.2	0	0	109.2	Y34	Y34-E36 PolarHBondContact O-N 3.2Å
37	I	24.6	Very low	30.8	Very low	141 Å²	141	136.2 Å²	136.2	72%	0.723	74%	0.735	S	S	*	*			trans	-82.5	119.3	164.5	-56.3	172.7	0	0	0	105.9	K35 I39	K35-I37 PolarHBondContact O-N 2.73Å; K35-I37 VanDerWaalsContact O-N 3.16Å; I37-I39 PolarHBondContact O-N 2.92Å
38	P	24.4	Very low	32	Very low	112 Å²	112	137 Å²	137	73%	0.727	73%	0.726	S	S	*	*			trans	-69.9	104.1	177.1	27.1	-30.3	0	0	0	108.8	T40	P38-T40 PolarHBondContact O-N 2.8Å; P38-T40 VanDerWaalsContact O-N 3.17Å
39	I	29.2	Very low	33.8	Very low	147 Å²	147	135.9 Å²	135.9	75%	0.754	72%	0.718	S	S	*	*			trans	-75.9	107	177.2	-55.8	177.3	0	0	0	108.8	I37	I37-I39 PolarHBondContact O-N 2.92Å
40	T	28.6	Very low	35.9	Very low	104 Å²	104	130.4 Å²	130.4	64%	0.638	68%	0.683	S	S	*	*			trans	-70	151.6	177.5	40.4	0	0	0	0	112.3	P38 H42	P38-T40 PolarHBondContact O-N 2.8Å; P38-T40 VanDerWaalsContact O-N 3.17Å; T40-H42 PolarHBondContact O-N 2.74Å; T40-H42 VanDerWaalsContact O-N 3.13Å
41	H	33.5	Very low	38.4	Very low	143 Å²	143	126.4 Å²	126.4	66%	0.662	66%	0.661	S	S	*	*			trans	-46	116.2	164.2	-78.4	-94.4	0	0	0	110.5	V43	H41-V43 PolarHBondContact O-N 2.72Å
42	H	40.4	Very low	40.6	Very low	145 Å²	145	121.8 Å²	121.8	67%	0.671	64%	0.638	S	S	*	*			trans	-78.8	65.1	167.6	-80.3	-97.7	0	0	0	109.8	T40	T40-H42 PolarHBondContact O-N 2.74Å; T40-H42 VanDerWaalsContact O-N 3.13Å
43	V	39	Very low	43.3	Very low	45 Å²	45	123.6 Å²	123.6	27%	0.273	64%	0.643	S	S	.	*			trans	-115.2	116	161.5	-173.7	0	0	0	0	104.7	H41 E45 C47	H41-V43 PolarHBondContact O-N 2.72Å; V43-E45 PolarHBondContact O-N 3.19Å; V43-C47 HydrophobicContact CG1-CB 4.03Å
44	K	36.1	Very low	46	Very low	170 Å²	170	119.2 Å²	119.2	74%	0.739	61%	0.614	S	S	*	*			trans	-52.6	133.8	171.4	-124	179.4	179.8	-179.3	0	107.9	G46 C47	K44-G46 PolarHBondContact O-N 2.83Å; K44-G46 VanDerWaalsContact O-N 3.08Å; K44-C47 PolarHBondContact O-N 2.84Å; K44-C47 VanDerWaalsContact O-N 3.16Å
45	E	30.8	Very low	48.8	Very low	205 Å²	205	109.1 Å²	109.1	96%	0.958	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.6	119.8	172.3	-90.8	179.9	148.5	0	0	109.3	V43	V43-E45 PolarHBondContact O-N 3.19Å
46	G	38.1	Very low	51.8	Low	86 Å²	86	104.4 Å²	104.4	89%	0.887	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	105.8	-5.5	-179.9	0	0	0	0	0	117.1	K44	K44-G46 PolarHBondContact O-N 2.83Å; K44-G46 VanDerWaalsContact O-N 3.08Å
47	C	42.8	Very low	54.7	Low	63 Å²	63	98.1 Å²	98.1	43%	0.426	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-89.4	131.1	173.3	-72	0	0	0	0	112.1	V43 K44	V43-C47 HydrophobicContact CG1-CB 4.03Å; K44-C47 PolarHBondContact O-N 2.84Å; K44-C47 VanDerWaalsContact O-N 3.16Å
48	E	53.1	Low	57.4	Low	134 Å²	134	93.2 Å²	93.2	63%	0.626	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-58	137.8	174	-71.4	-174.5	162.6	0	0	111.1	A50	E48-A50 PolarHBondContact O-N 3.39Å
49	K	64.2	Low	60.2	Low	168 Å²	168	90.4 Å²	90.4	73%	0.73	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-62.3	128.5	171.9	-80.5	-179.7	177.2	174.7	0	109	Q54	K49-Q54 PolarHBondContact O-NE2 2.93Å
50	A	70.9	Confident	62.8	Low	19 Å²	19	83.6 Å²	83.6	16%	0.157	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-69.7	131.3	173.5	0	0	0	0	0	110.9	E48 Q54 Y122 F124 V375	E48-A50 PolarHBondContact O-N 3.39Å; A50-Q54 VanDerWaalsContact CA-OE1 3.3Å; A50-Y122 HydrophobicContact CB-CD1 4.06Å; A50-F124 HydrophobicContact CB-CB 4.25Å; A50-F124 HydrophobicContact CB-CD1 3.54Å; A50-F124 HydrophobicContact CB-CE1 4.16Å; A50-F124 HydrophobicContact CB-CG 4.11Å; A50-V375 HydrophobicContact CB-CG2 4.39Å
51	D	78.9	Confident	65.2	Low	75 Å²	75	79.4 Å²	79.4	40%	0.401	42%	0.418	S	S	.	.			trans	-135.3	146.2	-178.1	-170.7	-83.2	0	0	0	111.2	S53 Q54 F55	D51-S53 PolarHBondContact O-N 2.68Å; D51-S53 VanDerWaalsContact O-N 3.13Å; D51-S53 WeakPolarHBondContact OD1-CB 3.48Å; D51-S53 PolarHBondContact OD1-N 3Å; D51-S53 PolarHBondContact OD1-OG 3.17Å; D51-S53 VanDerWaalsContact OD1-OG 3.13Å; D51-Q54 HydrophobicContact CB-CG 4.22Å; D51-Q54 VanDerWaalsContact N-OE1 3.09Å; D51-Q54 VanDerWaalsContact O-CB 3.32Å; D51-Q54 WeakPolarHBondContact O-CB 3.33Å; D51-Q54 PolarHBondContact O-N 2.8Å; D51-F55 WeakPolarHBondContact O-CD2 3.46Å
52	P	80.2	Confident	67.2	Low	33 Å²	33	73.4 Å²	73.4	21%	0.214	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-51.5	-33.8	174.8	-19.6	23	0	0	0	114.3	Q54 F55 F124 T126 Y131	P52-Q54 PolarHBondContact O-N 3.27Å; P52-Q54 VanDerWaalsContact O-N 3.13Å; P52-F55 PolarHBondContact O-N 2.8Å; P52-F55 VanDerWaalsContact O-N 3.12Å; P52-F124 HydrophobicContact CB-CE2 4.29Å; P52-F124 HydrophobicContact CG-CD2 4.38Å; P52-F124 HydrophobicContact CG-CE2 3.7Å; P52-T126 HydrophobicContact CG-CG2 3.77Å; P52-Y131 HydrophobicContact CB-CE1 4.39Å; P52-Y131 HydrophobicContact CG-CE1 4.24Å; P52-Y131 HydrophobicContact CG-CE2 4.04Å
53	S	83.8	Confident	68.7	Low	90 Å²	90	71.2 Å²	71.2	63%	0.629	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-65.6	-14.1	-179	78.5	0	0	0	0	113.5	D51 I75	D51-S53 PolarHBondContact O-N 2.68Å; D51-S53 VanDerWaalsContact O-N 3.13Å; D51-S53 WeakPolarHBondContact OD1-CB 3.48Å; D51-S53 PolarHBondContact OD1-N 3Å; D51-S53 PolarHBondContact OD1-OG 3.17Å; D51-S53 VanDerWaalsContact OD1-OG 3.13Å; S53-I75 WeakPolarHBondContact O-CD1 3.48Å
54	Q	86.5	Confident	69.9	Low	23 Å²	23	71.1 Å²	71.1	11%	0.107	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-82.4	-2.5	177.5	-58.1	179.9	-33	0	0	112.9	K49 A50 D51 P52 K74 I75 V76	K49-Q54 PolarHBondContact O-NE2 2.93Å; A50-Q54 VanDerWaalsContact CA-OE1 3.3Å; D51-Q54 HydrophobicContact CB-CG 4.22Å; D51-Q54 VanDerWaalsContact N-OE1 3.09Å; D51-Q54 VanDerWaalsContact O-CB 3.32Å; D51-Q54 WeakPolarHBondContact O-CB 3.33Å; D51-Q54 PolarHBondContact O-N 2.8Å; P52-Q54 PolarHBondContact O-N 3.27Å; P52-Q54 VanDerWaalsContact O-N 3.13Å; Q54-K74 WeakPolarHBondContact O-CA 3.49Å; Q54-I75 VanDerWaalsContact O-CG1 3.29Å; Q54-I75 WeakPolarHBondContact O-CG1 3.39Å; Q54-I75 PolarHBondContact O-N 3.35Å; Q54-V76 HydrophobicContact CB-CG2 3.59Å; Q54-V76 HydrophobicContact CG-CG2 3.52Å
55	F	88.6	Confident	70.8	Confident	7 Å²	7	67 Å²	67	3%	0.031	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	117.9	-175.5	-61.4	-86.7	0	0	0	110.7	D51 P52 V72 R73 K74 Y84 M86 Y122 F124 I133	D51-F55 WeakPolarHBondContact O-CD2 3.46Å; P52-F55 PolarHBondContact O-N 2.8Å; P52-F55 VanDerWaalsContact O-N 3.12Å; F55-V72 HydrophobicContact CB-CB 4.17Å; F55-V72 HydrophobicContact CB-CG2 4.27Å; F55-V72 HydrophobicContact CD1-CG2 3.86Å; F55-V72 HydrophobicContact CG-CG2 4.41Å; F55-R73 CarbonylContact C-O 3.49Å; F55-R73 WeakPolarHBondContact CA-O 3.48Å; F55-K74 HydrophobicContact CD1-CB 4.17Å; F55-K74 HydrophobicContact CD1-CG 4.18Å; F55-K74 HydrophobicContact CE1-CB 4.09Å; F55-K74 HydrophobicContact CE1-CD 4.25Å; F55-K74 HydrophobicContact CE1-CG 3.86Å; F55-K74 HydrophobicContact CZ-CG 4.36Å; F55-Y84 HydrophobicContact CE1-CD2 4.25Å; F55-M86 HydrophobicContact CB-CE 3.43Å; F55-M86 VanDerWaalsContact CB-CE 3.43Å; F55-M86 HydrophobicContact CD1-CE 4.36Å; F55-M86 HydrophobicContact CD2-CE 3.91Å; F55-M86 HydrophobicContact CG-CE 3.65Å; F55-Y122 HydrophobicContact CE1-CD2 4.41Å; F55-Y122 AromaticContact CZ-CD2 3.97Å; F55-Y122 HydrophobicContact CZ-CD2 3.97Å; F55-Y122 HydrophobicContact CZ-CE2 4.33Å; F55-Y122 HydrophobicContact CZ-CG 4.25Å; F55-F124 HydrophobicContact CD2-CE1 4.3Å; F55-F124 HydrophobicContact CD2-CZ 4.08Å; F55-F124 AromaticContact CE2-CE1 3.67Å; F55-F124 HydrophobicContact CE2-CE1 3.67Å; F55-F124 AromaticContact CE2-CZ 3.92Å; F55-F124 HydrophobicContact CE2-CZ 3.92Å; F55-F124 HydrophobicContact CZ-CE1 4.36Å; F55-I133 HydrophobicContact CE1-CD1 4.36Å; F55-I133 HydrophobicContact CE1-CG1 4.24Å; F55-I133 HydrophobicContact CE1-CG2 3.98Å; F55-I133 HydrophobicContact CE2-CD1 4.48Å; F55-I133 HydrophobicContact CE2-CG1 4.38Å; F55-I133 HydrophobicContact CZ-CD1 4.32Å; F55-I133 HydrophobicContact CZ-CG1 3.95Å; F55-I133 HydrophobicContact CZ-CG2 4.39Å
56	E	89.1	Confident	72.2	Confident	94 Å²	94	61.1 Å²	61.1	44%	0.439	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	125.9	171.3	178.6	-174.5	-157	0	0	109.7	L58 V72 R73 I75	E56-L58 HydrophobicContact CG-CD2 4.06Å; E56-V72 CarbonylContact O-C 3.47Å; E56-V72 WeakPolarHBondContact O-CA 3.31Å; E56-V72 WeakPolarHBondContact O-CB 3.12Å; E56-R73 HydrophobicContact CB-CB 4.4Å; E56-R73 PolarHBondContact N-O 2.9Å; E56-R73 PolarHBondContact O-N 3.41Å; E56-I75 HydrophobicContact CB-CG2 3.74Å
57	L	86.6	Confident	73.8	Confident	56 Å²	56	58.1 Å²	58.1	29%	0.293	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	121.6	175.7	-64.3	101.6	0	0	0	110.9	F70 V72 P353 D355	L57-F70 HydrophobicContact CD2-CB 4.05Å; L57-F70 HydrophobicContact CD2-CD1 3.54Å; L57-F70 HydrophobicContact CD2-CD2 4.01Å; L57-F70 HydrophobicContact CD2-CE1 3.84Å; L57-F70 HydrophobicContact CD2-CE2 4.29Å; L57-F70 HydrophobicContact CD2-CG 3.61Å; L57-F70 HydrophobicContact CD2-CZ 4.21Å; L57-V72 HydrophobicContact CG-CG1 4.26Å; L57-P353 HydrophobicContact CB-CB 4.08Å; L57-D355 HydrophobicContact CD2-CB 4.38Å
58	L	81.4	Confident	75.7	Confident	38 Å²	38	57.9 Å²	57.9	20%	0.199	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-51.8	-179.1	-58.4	-177.8	0	0	0	112.3	E56 L71 R73 L83 D339 P353	E56-L58 HydrophobicContact CG-CD2 4.06Å; L58-L71 HydrophobicContact CB-CB 4.48Å; L58-L71 HydrophobicContact CB-CD2 4.31Å; L58-L71 HydrophobicContact CB-CG 4.15Å; L58-L71 HydrophobicContact CD1-CD2 4.3Å; L58-L71 HydrophobicContact CD1-CG 4.17Å; L58-L71 PolarHBondContact N-O 3.16Å; L58-R73 HydrophobicContact CD1-CB 4.09Å; L58-R73 HydrophobicContact CG-CB 4.39Å; L58-L83 HydrophobicContact CD1-CD2 3.46Å; L58-L83 VanDerWaalsContact CD1-CD2 3.46Å; L58-D339 HydrophobicContact CD1-CB 4.16Å; L58-P353 WeakPolarHBondContact O-CG 3.41Å
59	K	83.1	Confident	77.4	Confident	53 Å²	53	53.7 Å²	53.7	23%	0.23	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	156.7	-174.4	-67.7	178.2	179.7	165.9	0	111.7	F70 L71 D339 T341	K59-F70 CarbonylContact O-C 3.59Å; K59-F70 VanDerWaalsContact O-CA 3.26Å; K59-F70 WeakPolarHBondContact O-CA 3.22Å; K59-L71 HydrophobicContact CB-CB 4.2Å; K59-L71 PolarHBondContact N-O 2.95Å; K59-L71 PolarHBondContact O-N 3.34Å; K59-D339 PolarHBondContact NZ-O 3.35Å; K59-T341 HydrophobicContact CD-CG2 3.58Å; K59-T341 WeakPolarHBondContact CD-OG1 3.45Å; K59-T341 PolarHBondContact NZ-OG1 2.88Å
60	V	83.3	Confident	78.5	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.024	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	121.3	167.3	-172	0	0	0	0	108.4	F70 F348 T349 K351	V60-F70 HydrophobicContact CB-CD1 4.45Å; V60-F70 HydrophobicContact CG2-CD1 3.87Å; V60-F70 HydrophobicContact CG2-CE1 3.76Å; V60-F348 WeakPolarHBondContact CB-O 3.26Å; V60-F348 HydrophobicContact CG1-CB 4.37Å; V60-F348 CarbonylContact O-C 3.56Å; V60-F348 WeakPolarHBondContact O-CB 3.42Å; V60-T349 PolarHBondContact O-N 3.21Å; V60-K351 HydrophobicContact CG2-CB 4.2Å
61	L	79.2	Confident	79.4	Confident	17 Å²	17	44.8 Å²	44.8	9%	0.089	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-28.2	179.3	-62.9	178.7	0	0	0	112.3	V69 L71 A85 F136 T341 F344	L61-V69 HydrophobicContact CB-CG1 4.23Å; L61-V69 HydrophobicContact CD1-CG1 4.46Å; L61-V69 PolarHBondContact N-O 2.83Å; L61-L71 HydrophobicContact CD1-CB 3.94Å; L61-L71 HydrophobicContact CD2-CB 3.95Å; L61-L71 HydrophobicContact CG-CB 3.9Å; L61-A85 HydrophobicContact CD1-CB 4.36Å; L61-F136 HydrophobicContact CD1-CD2 3.79Å; L61-F136 HydrophobicContact CD1-CE2 3.67Å; L61-F136 HydrophobicContact CD2-CE2 4.05Å; L61-T341 HydrophobicContact CD2-CG2 3.76Å; L61-F344 HydrophobicContact CB-CD1 4.08Å; L61-F344 HydrophobicContact CB-CE1 4.16Å; L61-F344 HydrophobicContact CD1-CE1 4.23Å; L61-F344 HydrophobicContact CD1-CZ 4.43Å; L61-F344 HydrophobicContact CD2-CD1 3.78Å; L61-F344 HydrophobicContact CD2-CD2 4.14Å; L61-F344 HydrophobicContact CD2-CE1 3.89Å; L61-F344 HydrophobicContact CD2-CE2 4.24Å; L61-F344 HydrophobicContact CD2-CG 3.9Å; L61-F344 HydrophobicContact CD2-CZ 4.12Å; L61-F344 HydrophobicContact CG-CD1 4.42Å; L61-F344 HydrophobicContact CG-CE1 4.31Å
62	G	75.1	Confident	79.9	Confident	16 Å²	16	41.2 Å²	41.2	17%	0.165	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173	164.2	178.9	0	0	0	0	0	113.2	V69	G62-V69 PolarHBondContact N-O 3.46Å; G62-V69 PolarHBondContact O-N 2.91Å
63	Q	71.8	Confident	80.4	Confident	100 Å²	100	42.7 Å²	42.7	47%	0.467	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	123.7	177.1	179.8	173.3	-14.9	0	0	109.4	K68 F348	Q63-K68 HydrophobicContact CB-CG 4.4Å; Q63-K68 HydrophobicContact CG-CG 4.04Å; Q63-F348 HydrophobicContact CB-CD1 4.31Å; Q63-F348 HydrophobicContact CB-CE1 3.99Å
64	G	64.4	Low	80.8	Confident	43 Å²	43	39 Å²	39	44%	0.443	21%	0.214	S	C	.	.			trans	-110.9	-178.8	173.6	0	0	0	0	0	111.9	F66 G67	G64-F66 PolarHBondContact O-N 3.14Å; G64-G67 PolarHBondContact N-O 3.02Å
65	S	55.3	Low	80.9	Confident	83 Å²	83	42.2 Å²	42.2	58%	0.58	23%	0.231	S	C	*	.	S	Bend	trans	-60.7	-27.5	-178.6	50.3	0	0	0	0	114.2
66	F	60.1	Low	80.5	Confident	82 Å²	82	44.8 Å²	44.8	36%	0.36	25%	0.247	S	C	.	.	S	Bend	trans	-120	-1.2	-172.6	-49.3	-65	0	0	0	114.5	G64 L94	G64-F66 PolarHBondContact O-N 3.14Å; F66-L94 HydrophobicContact CB-CD2 3.94Å; F66-L94 HydrophobicContact CG-CD2 4.37Å
67	G	72.7	Confident	80.1	Confident	23 Å²	23	42.2 Å²	42.2	24%	0.237	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174	170.9	-173.2	0	0	0	0	0	115.1	G64 V88	G64-G67 PolarHBondContact N-O 3.02Å; G67-V88 CarbonylContact C-O 3.49Å; G67-V88 WeakPolarHBondContact CA-O 3.37Å
68	K	82.7	Confident	79.6	Confident	58 Å²	58	45.9 Å²	45.9	25%	0.252	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	146.2	176.5	-72.6	-177	177.3	-176.5	0	109.9	Q63 F70 V88	Q63-K68 HydrophobicContact CB-CG 4.4Å; Q63-K68 HydrophobicContact CG-CG 4.04Å; K68-F70 HydrophobicContact CB-CD2 4.26Å; K68-F70 HydrophobicContact CB-CE2 3.5Å; K68-F70 VanDerWaalsContact CB-CE2 3.5Å; K68-F70 HydrophobicContact CB-CZ 3.71Å; K68-F70 HydrophobicContact CD-CE1 4.46Å; K68-F70 HydrophobicContact CD-CE2 4.37Å; K68-F70 HydrophobicContact CD-CZ 3.74Å; K68-F70 HydrophobicContact CG-CZ 4.39Å; K68-V88 PolarHBondContact N-O 2.89Å; K68-V88 PolarHBondContact O-N 3.25Å
69	V	87.3	Confident	79.7	Confident	45 Å²	45	45.7 Å²	45.7	27%	0.273	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	127.2	173.9	-173.2	0	0	0	0	108.4	L61 G62 A85 M86 K87	L61-V69 HydrophobicContact CB-CG1 4.23Å; L61-V69 HydrophobicContact CD1-CG1 4.46Å; L61-V69 PolarHBondContact N-O 2.83Å; G62-V69 PolarHBondContact N-O 3.46Å; G62-V69 PolarHBondContact O-N 2.91Å; V69-A85 HydrophobicContact CG1-CB 4.35Å; V69-M86 CarbonylContact C-O 3.55Å; V69-M86 VanDerWaalsContact CA-O 3.31Å; V69-M86 WeakPolarHBondContact CA-O 3.35Å; V69-K87 HydrophobicContact CG2-CB 4.35Å; V69-K87 HydrophobicContact CG2-CG 4.22Å
70	F	87.4	Confident	79.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	145.9	-179.2	-58.2	-90.1	0	0	0	110.8	L57 K59 V60 K68 V72 A85 M86 V88	L57-F70 HydrophobicContact CD2-CB 4.05Å; L57-F70 HydrophobicContact CD2-CD1 3.54Å; L57-F70 HydrophobicContact CD2-CD2 4.01Å; L57-F70 HydrophobicContact CD2-CE1 3.84Å; L57-F70 HydrophobicContact CD2-CE2 4.29Å; L57-F70 HydrophobicContact CD2-CG 3.61Å; L57-F70 HydrophobicContact CD2-CZ 4.21Å; K59-F70 CarbonylContact O-C 3.59Å; K59-F70 VanDerWaalsContact O-CA 3.26Å; K59-F70 WeakPolarHBondContact O-CA 3.22Å; V60-F70 HydrophobicContact CB-CD1 4.45Å; V60-F70 HydrophobicContact CG2-CD1 3.87Å; V60-F70 HydrophobicContact CG2-CE1 3.76Å; K68-F70 HydrophobicContact CB-CD2 4.26Å; K68-F70 HydrophobicContact CB-CE2 3.5Å; K68-F70 VanDerWaalsContact CB-CE2 3.5Å; K68-F70 HydrophobicContact CB-CZ 3.71Å; K68-F70 HydrophobicContact CD-CE1 4.46Å; K68-F70 HydrophobicContact CD-CE2 4.37Å; K68-F70 HydrophobicContact CD-CZ 3.74Å; K68-F70 HydrophobicContact CG-CZ 4.39Å; F70-V72 HydrophobicContact CB-CG1 3.97Å; F70-A85 CarbonylContact O-C 3.46Å; F70-A85 WeakPolarHBondContact O-CA 3.24Å; F70-M86 HydrophobicContact CB-CB 4.47Å; F70-M86 PolarHBondContact N-O 3.33Å; F70-M86 PolarHBondContact O-N 2.89Å; F70-V88 HydrophobicContact CD2-CG2 3.78Å; F70-V88 HydrophobicContact CE2-CB 4.18Å; F70-V88 HydrophobicContact CE2-CG2 3.77Å
71	L	89.8	Confident	79.7	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	125.2	159.5	176.4	58.4	0	0	0	107.3	L58 K59 L61 L83 F136 D339 T341	L58-L71 HydrophobicContact CB-CB 4.48Å; L58-L71 HydrophobicContact CB-CD2 4.31Å; L58-L71 HydrophobicContact CB-CG 4.15Å; L58-L71 HydrophobicContact CD1-CD2 4.3Å; L58-L71 HydrophobicContact CD1-CG 4.17Å; L58-L71 PolarHBondContact N-O 3.16Å; K59-L71 HydrophobicContact CB-CB 4.2Å; K59-L71 PolarHBondContact N-O 2.95Å; K59-L71 PolarHBondContact O-N 3.34Å; L61-L71 HydrophobicContact CD1-CB 3.94Å; L61-L71 HydrophobicContact CD2-CB 3.95Å; L61-L71 HydrophobicContact CG-CB 3.9Å; L71-L83 HydrophobicContact CD1-CB 4.23Å; L71-L83 HydrophobicContact CD1-CD2 4.19Å; L71-F136 HydrophobicContact CD1-CB 4.4Å; L71-F136 HydrophobicContact CD1-CD1 3.58Å; L71-F136 HydrophobicContact CD1-CD2 3.71Å; L71-F136 HydrophobicContact CD1-CE1 3.62Å; L71-F136 HydrophobicContact CD1-CE2 3.78Å; L71-F136 HydrophobicContact CD1-CG 3.62Å; L71-F136 HydrophobicContact CD1-CZ 3.74Å; L71-F136 HydrophobicContact CD2-CE1 4.25Å; L71-F136 HydrophobicContact CD2-CZ 4.02Å; L71-F136 HydrophobicContact CG-CZ 4.44Å; L71-D339 HydrophobicContact CD2-CB 4.26Å; L71-T341 HydrophobicContact CD2-CG2 3.96Å
72	V	90.4	Very high	80.2	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	151.1	-179.9	-56.5	0	0	0	0	111.4	F55 E56 L57 F70 L83 Y84 M86	F55-V72 HydrophobicContact CB-CB 4.17Å; F55-V72 HydrophobicContact CB-CG2 4.27Å; F55-V72 HydrophobicContact CD1-CG2 3.86Å; F55-V72 HydrophobicContact CG-CG2 4.41Å; E56-V72 CarbonylContact O-C 3.47Å; E56-V72 WeakPolarHBondContact O-CA 3.31Å; E56-V72 WeakPolarHBondContact O-CB 3.12Å; L57-V72 HydrophobicContact CG-CG1 4.26Å; F70-V72 HydrophobicContact CB-CG1 3.97Å; V72-L83 WeakPolarHBondContact O-CA 3.41Å; V72-Y84 PolarHBondContact N-O 2.88Å; V72-Y84 PolarHBondContact O-N 2.6Å; V72-M86 HydrophobicContact CB-CB 4.39Å; V72-M86 HydrophobicContact CB-CE 4.44Å; V72-M86 HydrophobicContact CG1-CB 3.59Å; V72-M86 HydrophobicContact CG1-CE 3.92Å; V72-M86 HydrophobicContact CG1-CG 4.39Å; V72-M86 HydrophobicContact CG1-SD 3.98Å; V72-M86 HydrophobicContact CG2-CB 3.85Å; V72-M86 HydrophobicContact CG2-CE 4.23Å
73	R	90.7	Very high	80.9	Confident	65 Å²	65	50.4 Å²	50.4	25%	0.245	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127.4	170.3	-171.6	-176.9	-57.1	-77.5	1.9	109.1	F55 E56 L58 G81 Q82 L83 D339	F55-R73 CarbonylContact C-O 3.49Å; F55-R73 WeakPolarHBondContact CA-O 3.48Å; E56-R73 HydrophobicContact CB-CB 4.4Å; E56-R73 PolarHBondContact N-O 2.9Å; E56-R73 PolarHBondContact O-N 3.41Å; L58-R73 HydrophobicContact CD1-CB 4.09Å; L58-R73 HydrophobicContact CG-CB 4.39Å; R73-G81 PolarHBondContact NH1-O 3.11Å; R73-G81 VanDerWaalsContact NH1-O 3.16Å; R73-Q82 WeakPolarHBondContact CA-O 3.39Å; R73-L83 HydrophobicContact CB-CD2 3.93Å; R73-L83 HydrophobicContact CG-CD2 4.25Å; R73-D339 IonicContact NH2-OD2 3.92Å
74	K	90.9	Very high	81.8	Confident	12 Å²	12	46.3 Å²	46.3	5%	0.052	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	131.5	171.9	-160.9	-177.7	-175.8	-166.8	0	109.2	Q54 F55 V76 D79 G81 Q82 Y84 Y122	Q54-K74 WeakPolarHBondContact O-CA 3.49Å; F55-K74 HydrophobicContact CD1-CB 4.17Å; F55-K74 HydrophobicContact CD1-CG 4.18Å; F55-K74 HydrophobicContact CE1-CB 4.09Å; F55-K74 HydrophobicContact CE1-CD 4.25Å; F55-K74 HydrophobicContact CE1-CG 3.86Å; F55-K74 HydrophobicContact CZ-CG 4.36Å; K74-V76 WeakPolarHBondContact CD-O 3.15Å; K74-V76 WeakPolarHBondContact CE-O 3.37Å; K74-D79 VanDerWaalsContact CD-OD1 3.24Å; K74-D79 WeakPolarHBondContact CD-OD1 3.08Å; K74-D79 WeakPolarHBondContact CD-OD2 3.19Å; K74-D79 WeakPolarHBondContact CE-OD1 3.47Å; K74-D79 IonicContact NZ-OD1 2.66Å; K74-D79 PolarHBondContact NZ-OD1 2.55Å; K74-D79 IonicContact NZ-OD2 2.63Å; K74-D79 PolarHBondContact NZ-OD2 3.16Å; K74-G81 PolarHBondContact O-N 2.96Å; K74-Q82 PolarHBondContact N-O 3.26Å; K74-Y84 HydrophobicContact CB-CD2 4.34Å; K74-Y84 HydrophobicContact CB-CE2 4.04Å; K74-Y122 HydrophobicContact CD-CE2 4.49Å; K74-Y122 PolarHBondContact NZ-OH 3.39Å
75	I	88.7	Confident	83.1	Confident	91 Å²	91	44.8 Å²	44.8	47%	0.467	28%	0.276	S	S	.	.			trans	-107.1	-11.4	-174.6	56.7	160.4	0	0	0	114.2	S53 Q54 E56	S53-I75 WeakPolarHBondContact O-CD1 3.48Å; Q54-I75 VanDerWaalsContact O-CG1 3.29Å; Q54-I75 WeakPolarHBondContact O-CG1 3.39Å; Q54-I75 PolarHBondContact O-N 3.35Å; E56-I75 HydrophobicContact CB-CG2 3.74Å
76	V	81.2	Confident	84.9	Confident	61 Å²	61	41 Å²	41	37%	0.37	25%	0.249	S	C	.	.	S	Bend	trans	-136.4	161.8	-179	-62.7	0	0	0	0	111.5	Q54 K74	Q54-V76 HydrophobicContact CB-CG2 3.59Å; Q54-V76 HydrophobicContact CG-CG2 3.52Å; K74-V76 WeakPolarHBondContact CD-O 3.15Å; K74-V76 WeakPolarHBondContact CE-O 3.37Å
77	G	80.9	Confident	86.3	Confident	39 Å²	39	38.7 Å²	38.7	40%	0.402	24%	0.239	S	C	.	.	S	Bend	trans	85.8	-178.3	178.4	0	0	0	0	0	114.3	D79 G80	G77-D79 VanDerWaalsContact C-N 3.25Å; G77-D79 PolarHBondContact O-N 2.83Å; G77-G80 PolarHBondContact O-N 3.41Å
78	P	75.9	Confident	87	Confident	134 Å²	134	37.9 Å²	37.9	87%	0.87	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-21.7	-171	24.5	-33.4	0	0	0	114.8
79	D	82.5	Confident	87.1	Confident	33 Å²	33	35.5 Å²	35.5	18%	0.176	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	23.9	175.3	58.9	-35.9	0	0	0	111.9	K74 G77 G81 Q82 Y84 Y122	K74-D79 VanDerWaalsContact CD-OD1 3.24Å; K74-D79 WeakPolarHBondContact CD-OD1 3.08Å; K74-D79 WeakPolarHBondContact CD-OD2 3.19Å; K74-D79 WeakPolarHBondContact CE-OD1 3.47Å; K74-D79 IonicContact NZ-OD1 2.66Å; K74-D79 PolarHBondContact NZ-OD1 2.55Å; K74-D79 IonicContact NZ-OD2 2.63Å; K74-D79 PolarHBondContact NZ-OD2 3.16Å; G77-D79 VanDerWaalsContact C-N 3.25Å; G77-D79 PolarHBondContact O-N 2.83Å; D79-G81 PolarHBondContact O-N 3.02Å; D79-Q82 HydrophobicContact CB-CB 4.49Å; D79-Q82 WeakPolarHBondContact O-CB 3.35Å; D79-Q82 PolarHBondContact O-N 3.36Å; D79-Y84 PolarHBondContact OD2-OH 2.58Å; D79-Y122 PolarHBondContact OD1-OH 3.45Å; D79-Y122 PolarHBondContact OD2-OH 3.19Å
80	G	85.5	Confident	86.8	Confident	43 Å²	43	37.6 Å²	37.6	44%	0.443	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	136.9	171.3	0	0	0	0	0	112	G77	G77-G80 PolarHBondContact O-N 3.41Å
81	G	82	Confident	86.4	Confident	40 Å²	40	37.6 Å²	37.6	41%	0.412	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.1	-17.8	-174.7	0	0	0	0	0	114.8	R73 K74 D79	R73-G81 PolarHBondContact NH1-O 3.11Å; R73-G81 VanDerWaalsContact NH1-O 3.16Å; K74-G81 PolarHBondContact O-N 2.96Å; D79-G81 PolarHBondContact O-N 3.02Å
82	Q	88.7	Confident	85.6	Confident	100 Å²	100	40.5 Å²	40.5	47%	0.467	25%	0.249	S	C	.	.			trans	-69.5	143.9	-178.4	-175.4	58.1	44.2	0	0	112.1	R73 K74 D79 Y84	R73-Q82 WeakPolarHBondContact CA-O 3.39Å; K74-Q82 PolarHBondContact N-O 3.26Å; D79-Q82 HydrophobicContact CB-CB 4.49Å; D79-Q82 WeakPolarHBondContact O-CB 3.35Å; D79-Q82 PolarHBondContact O-N 3.36Å; Q82-Y84 HydrophobicContact CB-CE2 3.76Å; Q82-Y84 HydrophobicContact CG-CD2 4.36Å; Q82-Y84 HydrophobicContact CG-CE1 4.07Å; Q82-Y84 HydrophobicContact CG-CE2 3.6Å; Q82-Y84 VanDerWaalsContact CG-CZ 3.42Å; Q82-Y84 WeakPolarHBondContact CG-OH 3.17Å
83	L	89.6	Confident	84.6	Confident	7 Å²	7	43 Å²	43	4%	0.037	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	140.7	178.4	-66.9	172.7	0	0	0	111.7	L58 L71 V72 R73 F136 P338 D339	L58-L83 HydrophobicContact CD1-CD2 3.46Å; L58-L83 VanDerWaalsContact CD1-CD2 3.46Å; L71-L83 HydrophobicContact CD1-CB 4.23Å; L71-L83 HydrophobicContact CD1-CD2 4.19Å; V72-L83 WeakPolarHBondContact O-CA 3.41Å; R73-L83 HydrophobicContact CB-CD2 3.93Å; R73-L83 HydrophobicContact CG-CD2 4.25Å; L83-F136 HydrophobicContact CB-CD1 4.15Å; L83-P338 HydrophobicContact CD1-CB 3.88Å; L83-P338 WeakPolarHBondContact CD1-O 3.37Å; L83-D339 HydrophobicContact CD1-CB 4.03Å
84	Y	92.2	Very high	83.7	Confident	13 Å²	13	40.2 Å²	40.2	5%	0.051	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	159.6	-179.4	-63.4	-75.9	0	0	0	112.3	F55 V72 K74 D79 Q82 H121 Y122 I133	F55-Y84 HydrophobicContact CE1-CD2 4.25Å; V72-Y84 PolarHBondContact N-O 2.88Å; V72-Y84 PolarHBondContact O-N 2.6Å; K74-Y84 HydrophobicContact CB-CD2 4.34Å; K74-Y84 HydrophobicContact CB-CE2 4.04Å; D79-Y84 PolarHBondContact OD2-OH 2.58Å; Q82-Y84 HydrophobicContact CB-CE2 3.76Å; Q82-Y84 HydrophobicContact CG-CD2 4.36Å; Q82-Y84 HydrophobicContact CG-CE1 4.07Å; Q82-Y84 HydrophobicContact CG-CE2 3.6Å; Q82-Y84 VanDerWaalsContact CG-CZ 3.42Å; Q82-Y84 WeakPolarHBondContact CG-OH 3.17Å; Y84-H121 HydrophobicContact CD1-CB 4.47Å; Y84-H121 AromaticContact CD1-CD2 3.85Å; Y84-H121 HydrophobicContact CE1-CB 4.02Å; Y84-H121 AromaticContact CE1-CD2 3.6Å; Y84-H121 AromaticContact CE1-CE1 3.93Å; Y84-H121 AromaticContact CE1-CG 3.52Å; Y84-H121 AromaticContact CE1-ND1 3.76Å; Y84-H121 AromaticContact CE1-NE2 3.86Å; Y84-Y122 HydrophobicContact CE2-CE2 4.49Å; Y84-I133 VanDerWaalsContact CB-CG2 3.45Å; Y84-I133 HydrophobicContact CD1-CG2 3.85Å; Y84-I133 HydrophobicContact CD2-CG2 4.08Å; Y84-I133 HydrophobicContact CG-CG2 3.52Å
85	A	91.6	Very high	82.9	Confident	11 Å²	11	47 Å²	47	9%	0.091	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	116.1	165.4	0	0	0	0	0	109.5	L61 V69 F70 L134	L61-A85 HydrophobicContact CD1-CB 4.36Å; V69-A85 HydrophobicContact CG1-CB 4.35Å; F70-A85 CarbonylContact O-C 3.46Å; F70-A85 WeakPolarHBondContact O-CA 3.24Å; A85-L134 HydrophobicContact CB-CB 4.43Å; A85-L134 PolarHBondContact N-O 2.96Å; A85-L134 PolarHBondContact O-N 2.8Å
86	M	91.8	Very high	82.2	Confident	5 Å²	5	47.9 Å²	47.9	3%	0.025	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	109.7	177.3	177.6	-172.6	-75.3	0	0	110.3	F55 V69 F70 V72 V88 F124 Y131 L132 I133	F55-M86 HydrophobicContact CB-CE 3.43Å; F55-M86 VanDerWaalsContact CB-CE 3.43Å; F55-M86 HydrophobicContact CD1-CE 4.36Å; F55-M86 HydrophobicContact CD2-CE 3.91Å; F55-M86 HydrophobicContact CG-CE 3.65Å; V69-M86 CarbonylContact C-O 3.55Å; V69-M86 VanDerWaalsContact CA-O 3.31Å; V69-M86 WeakPolarHBondContact CA-O 3.35Å; F70-M86 HydrophobicContact CB-CB 4.47Å; F70-M86 PolarHBondContact N-O 3.33Å; F70-M86 PolarHBondContact O-N 2.89Å; V72-M86 HydrophobicContact CB-CB 4.39Å; V72-M86 HydrophobicContact CB-CE 4.44Å; V72-M86 HydrophobicContact CG1-CB 3.59Å; V72-M86 HydrophobicContact CG1-CE 3.92Å; V72-M86 HydrophobicContact CG1-CG 4.39Å; V72-M86 HydrophobicContact CG1-SD 3.98Å; V72-M86 HydrophobicContact CG2-CB 3.85Å; V72-M86 HydrophobicContact CG2-CE 4.23Å; M86-V88 HydrophobicContact CG-CG2 3.7Å; M86-V88 HydrophobicContact SD-CG2 3.78Å; M86-F124 HydrophobicContact CE-CZ 4.41Å; M86-Y131 HydrophobicContact CG-CD1 4.24Å; M86-Y131 HydrophobicContact SD-CD1 3.86Å; M86-Y131 HydrophobicContact SD-CE1 4.21Å; M86-L132 WeakPolarHBondContact CA-O 3.35Å; M86-I133 HydrophobicContact CB-CD1 3.77Å; M86-I133 HydrophobicContact CE-CD1 3.61Å; M86-I133 HydrophobicContact CG-CD1 3.58Å; M86-I133 HydrophobicContact SD-CD1 4.42Å
87	K	89.9	Confident	81.6	Confident	33 Å²	33	54.8 Å²	54.8	14%	0.143	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	118.5	170.9	-173.3	176.5	-176.1	178.8	0	109.1	V69 L89 E105 Y131 L132 D198	V69-K87 HydrophobicContact CG2-CB 4.35Å; V69-K87 HydrophobicContact CG2-CG 4.22Å; K87-L89 HydrophobicContact CG-CD1 4.17Å; K87-E105 IonicContact NZ-OE1 2.65Å; K87-E105 PolarHBondContact NZ-OE1 3.1Å; K87-E105 IonicContact NZ-OE2 2.79Å; K87-E105 PolarHBondContact NZ-OE2 2.99Å; K87-Y131 WeakPolarHBondContact O-CA 3.48Å; K87-L132 HydrophobicContact CB-CB 4.32Å; K87-L132 PolarHBondContact N-O 2.93Å; K87-L132 PolarHBondContact O-N 2.94Å; K87-D198 IonicContact NZ-OD1 3.48Å; K87-D198 PolarHBondContact NZ-OD1 2.83Å
88	V	87.8	Confident	81.2	Confident	5 Å²	5	53.8 Å²	53.8	3%	0.03	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	120.3	-178.1	-173.9	0	0	0	0	109.8	G67 K68 F70 M86 K129 L130 Y131	G67-V88 CarbonylContact C-O 3.49Å; G67-V88 WeakPolarHBondContact CA-O 3.37Å; K68-V88 PolarHBondContact N-O 2.89Å; K68-V88 PolarHBondContact O-N 3.25Å; F70-V88 HydrophobicContact CD2-CG2 3.78Å; F70-V88 HydrophobicContact CE2-CB 4.18Å; F70-V88 HydrophobicContact CE2-CG2 3.77Å; M86-V88 HydrophobicContact CG-CG2 3.7Å; M86-V88 HydrophobicContact SD-CG2 3.78Å; V88-K129 HydrophobicContact CG1-CB 4.47Å; V88-K129 HydrophobicContact CG1-CD 3.91Å; V88-L130 WeakPolarHBondContact CA-O 3.4Å; V88-Y131 HydrophobicContact CB-CD1 4.47Å; V88-Y131 HydrophobicContact CB-CE1 4.42Å; V88-Y131 HydrophobicContact CG1-CD1 4.22Å; V88-Y131 HydrophobicContact CG1-CE1 3.8Å; V88-Y131 HydrophobicContact CG2-CD1 3.76Å; V88-Y131 HydrophobicContact CG2-CE1 3.79Å
89	L	83.5	Confident	81.1	Confident	9 Å²	9	49.1 Å²	49.1	5%	0.047	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	136.1	177.2	-53.4	100.4	0	0	0	111	K87 L94 T102 K129 L130	K87-L89 HydrophobicContact CG-CD1 4.17Å; L89-L94 HydrophobicContact CB-CD1 4.37Å; L89-L94 HydrophobicContact CD2-CD2 4.34Å; L89-T102 HydrophobicContact CD1-CG2 4.09Å; L89-T102 HydrophobicContact CD2-CG2 4.28Å; L89-K129 CarbonylContact O-C 3.51Å; L89-K129 VanDerWaalsContact O-CA 3.25Å; L89-K129 WeakPolarHBondContact O-CA 3.48Å; L89-K129 WeakPolarHBondContact O-CB 3.2Å; L89-L130 HydrophobicContact CB-CB 4.39Å; L89-L130 HydrophobicContact CD1-CB 4.37Å; L89-L130 PolarHBondContact N-O 2.98Å; L89-L130 PolarHBondContact O-N 2.77Å
90	K	80.9	Confident	80.6	Confident	89 Å²	89	50.7 Å²	50.7	39%	0.387	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	121.8	177.2	-64.6	179.2	-177.6	-178.9	0	110	A92 S93 L94	K90-A92 VanDerWaalsContact C-N 3.29Å; K90-A92 PolarHBondContact O-N 3.35Å; K90-S93 WeakPolarHBondContact CB-OG 3.42Å; K90-S93 PolarHBondContact O-N 2.81Å; K90-S93 PolarHBondContact O-OG 2.8Å; K90-L94 WeakPolarHBondContact O-CG 3.3Å
91	K	79.5	Confident	80.2	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-61.9	-35.9	-176.7	-68.9	179.2	177.4	173.7	0	113	S93 L94 T126 G128 K129 L130 P361 F369	K91-S93 VanDerWaalsContact C-N 3.31Å; K91-S93 PolarHBondContact O-N 3.24Å; K91-L94 PolarHBondContact O-N 3.33Å; K91-T126 PolarHBondContact NZ-O 3.24Å; K91-G128 WeakPolarHBondContact CB-O 3.47Å; K91-G128 PolarHBondContact N-O 2.89Å; K91-K129 WeakPolarHBondContact CE-O 3.32Å; K91-L130 HydrophobicContact CD-CD2 4.49Å; K91-L130 HydrophobicContact CG-CD2 4.43Å; K91-L130 HydrophobicContact CG-CG 4.04Å; K91-P361 HydrophobicContact CB-CB 3.94Å; K91-P361 HydrophobicContact CB-CG 3.8Å; K91-P361 HydrophobicContact CD-CG 3.86Å; K91-P361 HydrophobicContact CG-CG 4.49Å; K91-F369 HydrophobicContact CD-CD2 4.25Å; K91-F369 HydrophobicContact CD-CE2 4.42Å; K91-F369 HydrophobicContact CG-CE2 4.23Å
92	A	72.4	Confident	79.9	Confident	61 Å²	61	51.2 Å²	51.2	50%	0.504	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-66.8	-28.4	179.8	0	0	0	0	0	113.5	K90	K90-A92 VanDerWaalsContact C-N 3.29Å; K90-A92 PolarHBondContact O-N 3.35Å
93	S	71.2	Confident	79.4	Confident	53 Å²	53	49.7 Å²	49.7	37%	0.371	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-87.7	-8.5	178.2	59.6	0	0	0	0	113.7	K90 K91	K90-S93 WeakPolarHBondContact CB-OG 3.42Å; K90-S93 PolarHBondContact O-N 2.81Å; K90-S93 PolarHBondContact O-OG 2.8Å; K91-S93 VanDerWaalsContact C-N 3.31Å; K91-S93 PolarHBondContact O-N 3.24Å
94	L	70.5	Confident	78.7	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.026	25%	0.254	C	S	.	.			trans	-85	120	180	-66	173.2	0	0	0	110.8	F66 L89 K90 K91 D98 R99 L130 F369	F66-L94 HydrophobicContact CB-CD2 3.94Å; F66-L94 HydrophobicContact CG-CD2 4.37Å; L89-L94 HydrophobicContact CB-CD1 4.37Å; L89-L94 HydrophobicContact CD2-CD2 4.34Å; K90-L94 WeakPolarHBondContact O-CG 3.3Å; K91-L94 PolarHBondContact O-N 3.33Å; L94-D98 HydrophobicContact CB-CB 4.45Å; L94-D98 HydrophobicContact CD2-CB 3.88Å; L94-R99 HydrophobicContact CB-CG 3.6Å; L94-R99 HydrophobicContact CD1-CG 4.42Å; L94-R99 PolarHBondContact O-NE 3.02Å; L94-R99 PolarHBondContact O-NH2 3.24Å; L94-L130 HydrophobicContact CD1-CD1 4.04Å; L94-F369 HydrophobicContact CD1-CZ 4.29Å
95	K	75.2	Confident	78.3	Confident	156 Å²	156	51.4 Å²	51.4	68%	0.678	25%	0.253	S	S	*	.			trans	-69.5	159.2	168.3	-59.9	179.2	-179.9	177.6	0	109.7	R97 D98 R99	K95-R97 PolarHBondContact O-N 3.37Å; K95-R97 VanDerWaalsContact O-N 3.11Å; K95-D98 WeakPolarHBondContact CB-OD2 3.35Å; K95-D98 PolarHBondContact O-N 3.33Å; K95-R99 WeakPolarHBondContact O-CG 3.38Å; K95-R99 PolarHBondContact O-N 3.17Å
96	V	72.5	Confident	78	Confident	108 Å²	108	52 Å²	52	66%	0.655	25%	0.253	S	S	*	.	H	α-helix	trans	-48.9	-44.6	-176.7	178.2	0	0	0	0	112.5	D98 R99 V100	V96-D98 PolarHBondContact O-N 3.24Å; V96-R99 PolarHBondContact O-N 3.43Å; V96-V100 PolarHBondContact O-N 2.79Å
97	R	70.2	Confident	77.5	Confident	207 Å²	207	54.1 Å²	54.1	78%	0.781	26%	0.264	S	S	*	.	H	α-helix	trans	-63.3	-40.1	177.3	-69.6	-175.7	177.3	177.9	0.6	113.1	K95 R99 V100 R101	K95-R97 PolarHBondContact O-N 3.37Å; K95-R97 VanDerWaalsContact O-N 3.11Å; R97-R99 VanDerWaalsContact C-N 3.33Å; R97-V100 PolarHBondContact O-N 3.25Å; R97-R101 WeakPolarHBondContact O-CG 3.41Å; R97-R101 PolarHBondContact O-N 2.91Å; R97-R101 VanDerWaalsContact O-N 3.09Å
98	D	71.2	Confident	77.2	Confident	18 Å²	18	52.6 Å²	52.6	10%	0.096	26%	0.258	C	S	.	.	H	α-helix	trans	-72	-30.8	-179.3	-55.6	-43.8	0	0	0	111.4	L94 K95 V96 R101 T102	L94-D98 HydrophobicContact CB-CB 4.45Å; L94-D98 HydrophobicContact CD2-CB 3.88Å; K95-D98 WeakPolarHBondContact CB-OD2 3.35Å; K95-D98 PolarHBondContact O-N 3.33Å; V96-D98 PolarHBondContact O-N 3.24Å; D98-R101 WeakPolarHBondContact O-CB 3.31Å; D98-R101 PolarHBondContact O-N 2.85Å; D98-R101 IonicContact OD1-NH1 3.88Å; D98-R101 PolarHBondContact OD1-NH1 2.71Å; D98-T102 PolarHBondContact O-N 2.89Å; D98-T102 PolarHBondContact O-OG1 2.77Å
99	R	74	Confident	77	Confident	36 Å²	36	52.7 Å²	52.7	14%	0.136	26%	0.258	C	S	.	.	H	α-helix	trans	-63.8	-43.8	173	-59.2	-178.6	-177.4	168.6	-4.2	112.5	L94 K95 V96 R97 R101 T102 K103 A365 L368 F369	L94-R99 HydrophobicContact CB-CG 3.6Å; L94-R99 HydrophobicContact CD1-CG 4.42Å; L94-R99 PolarHBondContact O-NE 3.02Å; L94-R99 PolarHBondContact O-NH2 3.24Å; K95-R99 WeakPolarHBondContact O-CG 3.38Å; K95-R99 PolarHBondContact O-N 3.17Å; V96-R99 PolarHBondContact O-N 3.43Å; R97-R99 VanDerWaalsContact C-N 3.33Å; R99-R101 VanDerWaalsContact C-N 3.35Å; R99-T102 PolarHBondContact O-N 2.83Å; R99-K103 PolarHBondContact O-N 3.35Å; R99-K103 VanDerWaalsContact O-N 3.13Å; R99-A365 VanDerWaalsContact CZ-CB 3.43Å; R99-L368 HydrophobicContact CB-CD2 3.57Å; R99-F369 HydrophobicContact CB-CE1 4.06Å; R99-F369 HydrophobicContact CB-CE2 4.26Å; R99-F369 HydrophobicContact CB-CZ 3.47Å; R99-F369 VanDerWaalsContact CB-CZ 3.47Å; R99-F369 HydrophobicContact CG-CE2 4.06Å; R99-F369 HydrophobicContact CG-CZ 3.58Å
100	V	73.2	Confident	76.9	Confident	65 Å²	65	55 Å²	55	39%	0.394	27%	0.273	S	S	.	.	H	α-helix	trans	-63.2	-44.1	175.6	176.3	0	0	0	0	110.1	V96 R97 T102 K103 M104 L368	V96-V100 PolarHBondContact O-N 2.79Å; R97-V100 PolarHBondContact O-N 3.25Å; V100-T102 PolarHBondContact O-N 3.07Å; V100-K103 PolarHBondContact O-N 2.91Å; V100-M104 HydrophobicContact CG1-CG 4.45Å; V100-M104 HydrophobicContact CG1-SD 4.07Å; V100-M104 WeakPolarHBondContact O-CG 3.46Å; V100-M104 PolarHBondContact O-N 2.97Å; V100-L368 HydrophobicContact CG2-CD2 4.21Å
101	R	75.8	Confident	76.9	Confident	86 Å²	86	56.6 Å²	56.6	33%	0.325	28%	0.281	S	S	.	.	H	α-helix	trans	-58.4	-47.3	175.6	-75.8	173.7	174.8	171.2	-9.9	113	R97 D98 R99 K103 M104 E105 G200	R97-R101 WeakPolarHBondContact O-CG 3.41Å; R97-R101 PolarHBondContact O-N 2.91Å; R97-R101 VanDerWaalsContact O-N 3.09Å; D98-R101 WeakPolarHBondContact O-CB 3.31Å; D98-R101 PolarHBondContact O-N 2.85Å; D98-R101 IonicContact OD1-NH1 3.88Å; D98-R101 PolarHBondContact OD1-NH1 2.71Å; R99-R101 VanDerWaalsContact C-N 3.35Å; R101-K103 VanDerWaalsContact C-N 3.28Å; R101-K103 PolarHBondContact O-N 2.89Å; R101-M104 PolarHBondContact O-N 3.38Å; R101-E105 WeakPolarHBondContact O-CB 3.27Å; R101-E105 PolarHBondContact O-N 3.45Å; R101-G200 WeakPolarHBondContact CB-O 3.24Å; R101-G200 WeakPolarHBondContact CD-O 3.32Å; R101-G200 WeakPolarHBondContact CG-O 3.38Å
102	T	76.2	Confident	77.2	Confident	8 Å²	8	57 Å²	57	5%	0.049	28%	0.284	C	S	.	.	H	α-helix	trans	-63.7	-34.3	178.4	-57.3	0	0	0	0	112.4	L89 D98 R99 V100 R106 L130 F372	L89-T102 HydrophobicContact CD1-CG2 4.09Å; L89-T102 HydrophobicContact CD2-CG2 4.28Å; D98-T102 PolarHBondContact O-N 2.89Å; D98-T102 PolarHBondContact O-OG1 2.77Å; R99-T102 PolarHBondContact O-N 2.83Å; V100-T102 PolarHBondContact O-N 3.07Å; T102-R106 PolarHBondContact O-N 3.12Å; T102-L130 HydrophobicContact CG2-CD1 3.66Å; T102-F372 HydrophobicContact CG2-CE2 4.23Å; T102-F372 HydrophobicContact CG2-CZ 4.43Å
103	K	77.8	Confident	77.9	Confident	68 Å²	68	60.2 Å²	60.2	30%	0.296	29%	0.292	S	S	.	.	H	α-helix	trans	-67.6	-47.5	174.1	-173.2	178	178.3	177	0	111.2	R99 V100 R101 E105 R106 D107	R99-K103 PolarHBondContact O-N 3.35Å; R99-K103 VanDerWaalsContact O-N 3.13Å; V100-K103 PolarHBondContact O-N 2.91Å; R101-K103 VanDerWaalsContact C-N 3.28Å; R101-K103 PolarHBondContact O-N 2.89Å; K103-E105 PolarHBondContact O-N 2.89Å; K103-R106 WeakPolarHBondContact O-CB 3.18Å; K103-R106 PolarHBondContact O-N 2.8Å; K103-D107 PolarHBondContact O-N 3.35Å
104	M	76	Confident	78.9	Confident	52 Å²	52	58.4 Å²	58.4	26%	0.256	28%	0.278	S	S	.	.	H	α-helix	trans	-61.2	-41.8	176.1	-69.6	177.8	74.1	0	0	112.4	V100 R101 R106 D107 I108 K203	V100-M104 HydrophobicContact CG1-CG 4.45Å; V100-M104 HydrophobicContact CG1-SD 4.07Å; V100-M104 WeakPolarHBondContact O-CG 3.46Å; V100-M104 PolarHBondContact O-N 2.97Å; R101-M104 PolarHBondContact O-N 3.38Å; M104-R106 VanDerWaalsContact C-N 3.29Å; M104-R106 PolarHBondContact O-N 3.09Å; M104-D107 PolarHBondContact O-N 3.23Å; M104-I108 WeakPolarHBondContact O-CB 3.15Å; M104-I108 VanDerWaalsContact O-CG1 3.32Å; M104-I108 WeakPolarHBondContact O-CG1 3.32Å; M104-I108 PolarHBondContact O-N 3.31Å; M104-K203 HydrophobicContact CE-CB 4.39Å; M104-K203 HydrophobicContact CE-CG 4.27Å
105	E	84	Confident	80	Confident	5 Å²	5	59.7 Å²	59.7	2%	0.023	29%	0.287	C	S	.	.	H	α-helix	trans	-55.1	-47.1	175	-179.6	179.7	-170.6	0	0	110.8	K87 R101 K103 L109 F199	K87-E105 IonicContact NZ-OE1 2.65Å; K87-E105 PolarHBondContact NZ-OE1 3.1Å; K87-E105 IonicContact NZ-OE2 2.79Å; K87-E105 PolarHBondContact NZ-OE2 2.99Å; R101-E105 WeakPolarHBondContact O-CB 3.27Å; R101-E105 PolarHBondContact O-N 3.45Å; K103-E105 PolarHBondContact O-N 2.89Å; E105-L109 HydrophobicContact CG-CD1 4.04Å; E105-L109 WeakPolarHBondContact O-CB 3.45Å; E105-L109 WeakPolarHBondContact O-CD1 3.02Å; E105-L109 VanDerWaalsContact O-CG 3.23Å; E105-L109 WeakPolarHBondContact O-CG 3.34Å; E105-L109 PolarHBondContact O-N 3.46Å; E105-L109 VanDerWaalsContact O-N 3.09Å; E105-F199 HydrophobicContact CG-CB 4Å
106	R	83.8	Confident	81	Confident	23 Å²	23	52.2 Å²	52.2	9%	0.087	25%	0.254	C	S	.	.	H	α-helix	trans	-63.1	-47.8	176.4	-173.8	-80.6	-55.5	-136.3	3.9	111.3	T102 K103 M104 L109 V110 L120 A123 L132 G371 F372	T102-R106 PolarHBondContact O-N 3.12Å; K103-R106 WeakPolarHBondContact O-CB 3.18Å; K103-R106 PolarHBondContact O-N 2.8Å; M104-R106 VanDerWaalsContact C-N 3.29Å; M104-R106 PolarHBondContact O-N 3.09Å; R106-L109 PolarHBondContact O-N 3.49Å; R106-V110 WeakPolarHBondContact O-CG2 3.22Å; R106-V110 PolarHBondContact O-N 2.96Å; R106-V110 VanDerWaalsContact O-N 3.11Å; R106-L120 HydrophobicContact CG-CD2 4.18Å; R106-A123 HydrophobicContact CG-CB 3.75Å; R106-L132 HydrophobicContact CB-CD2 4.02Å; R106-L132 HydrophobicContact CG-CD2 3.83Å; R106-G371 PolarHBondContact NH1-O 3.12Å; R106-G371 PolarHBondContact NH2-O 2.87Å; R106-F372 HydrophobicContact CB-CE2 3.93Å; R106-F372 HydrophobicContact CB-CZ 4.36Å; R106-F372 HydrophobicContact CG-CD2 4.39Å; R106-F372 HydrophobicContact CG-CE2 4.03Å; R106-F372 HydrophobicContact CG-CZ 4.24Å; R106-F372 PolarHBondContact NH1-O 2.75Å; R106-F372 VanDerWaalsContact NH1-O 3.14Å
107	D	81.3	Confident	82	Confident	50 Å²	50	47.2 Å²	47.2	27%	0.267	22%	0.224	S	C	.	.	H	α-helix	trans	-62.4	-45.4	-176.8	-62.4	-15.9	0	0	0	110.9	K103 M104 L109 V110 E111	K103-D107 PolarHBondContact O-N 3.35Å; M104-D107 PolarHBondContact O-N 3.23Å; D107-L109 PolarHBondContact O-N 2.93Å; D107-V110 WeakPolarHBondContact O-CB 3.45Å; D107-V110 PolarHBondContact O-N 3.12Å; D107-E111 PolarHBondContact O-N 3.37Å
108	I	83.5	Confident	83.1	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-58.2	-47.8	174.1	-71.7	168.1	0	0	0	111.5	M104 V110 E111 V112 I176 F199	M104-I108 WeakPolarHBondContact O-CB 3.15Å; M104-I108 VanDerWaalsContact O-CG1 3.32Å; M104-I108 WeakPolarHBondContact O-CG1 3.32Å; M104-I108 PolarHBondContact O-N 3.31Å; I108-V110 PolarHBondContact O-N 2.88Å; I108-E111 PolarHBondContact O-N 2.94Å; I108-E111 VanDerWaalsContact O-N 3.11Å; I108-V112 HydrophobicContact CG2-CG2 3.97Å; I108-V112 VanDerWaalsContact O-CG2 3.3Å; I108-V112 WeakPolarHBondContact O-CG2 3.34Å; I108-V112 PolarHBondContact O-N 3.29Å; I108-I176 HydrophobicContact CB-CD1 4.49Å; I108-I176 HydrophobicContact CD1-CG2 4.08Å; I108-I176 HydrophobicContact CG1-CD1 4.11Å; I108-I176 HydrophobicContact CG2-CD1 3.97Å; I108-F199 HydrophobicContact CG2-CB 4.41Å; I108-F199 HydrophobicContact CG2-CD1 3.7Å; I108-F199 HydrophobicContact CG2-CE1 4.36Å; I108-F199 HydrophobicContact CG2-CG 4.23Å
109	L	84.9	Confident	84	Confident	6 Å²	6	40 Å²	40	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-67.8	-17.7	-178.1	-76.2	170.6	0	0	0	113.8	E105 R106 D107 V118 L120 L134 F199	E105-L109 HydrophobicContact CG-CD1 4.04Å; E105-L109 WeakPolarHBondContact O-CB 3.45Å; E105-L109 WeakPolarHBondContact O-CD1 3.02Å; E105-L109 VanDerWaalsContact O-CG 3.23Å; E105-L109 WeakPolarHBondContact O-CG 3.34Å; E105-L109 PolarHBondContact O-N 3.46Å; E105-L109 VanDerWaalsContact O-N 3.09Å; R106-L109 PolarHBondContact O-N 3.49Å; D107-L109 PolarHBondContact O-N 2.93Å; L109-V118 HydrophobicContact CD2-CG1 3.84Å; L109-L120 HydrophobicContact CB-CB 3.77Å; L109-L120 HydrophobicContact CB-CD2 3.95Å; L109-L120 HydrophobicContact CB-CG 4.44Å; L109-L134 HydrophobicContact CD1-CD2 3.93Å; L109-F199 HydrophobicContact CD2-CD2 3.63Å; L109-F199 HydrophobicContact CD2-CE2 3.87Å; L109-F199 HydrophobicContact CD2-CG 4.32Å; L109-F199 HydrophobicContact CG-CD2 4.16Å; L109-F199 HydrophobicContact CG-CG 4.49Å
110	V	81.5	Confident	84.8	Confident	59 Å²	59	38.4 Å²	38.4	36%	0.358	19%	0.192	S	C	.	.	H	α-helix	trans	-76.1	-35.8	172.1	168.2	0	0	0	0	111.1	R106 D107 I108 L120 F374	R106-V110 WeakPolarHBondContact O-CG2 3.22Å; R106-V110 PolarHBondContact O-N 2.96Å; R106-V110 VanDerWaalsContact O-N 3.11Å; D107-V110 WeakPolarHBondContact O-CB 3.45Å; D107-V110 PolarHBondContact O-N 3.12Å; I108-V110 PolarHBondContact O-N 2.88Å; V110-L120 HydrophobicContact CG2-CD2 3.88Å; V110-F374 HydrophobicContact CB-CE2 4.43Å; V110-F374 HydrophobicContact CB-CZ 4.38Å; V110-F374 HydrophobicContact CG1-CD2 4.16Å; V110-F374 HydrophobicContact CG1-CE2 3.66Å; V110-F374 HydrophobicContact CG1-CZ 3.92Å; V110-F374 HydrophobicContact CG2-CB 4.46Å; V110-F374 HydrophobicContact CG2-CD1 3.79Å; V110-F374 HydrophobicContact CG2-CD2 3.88Å; V110-F374 HydrophobicContact CG2-CE1 3.87Å; V110-F374 HydrophobicContact CG2-CE2 3.97Å; V110-F374 HydrophobicContact CG2-CG 3.77Å; V110-F374 HydrophobicContact CG2-CZ 3.96Å
111	E	80.5	Confident	85.5	Confident	121 Å²	121	37 Å²	37	57%	0.565	18%	0.181	S	C	*	.	H	α-helix	trans	-86.3	-29.4	-175.5	-64	-172.9	172.5	0	0	113.2	D107 I108	D107-E111 PolarHBondContact O-N 3.37Å; I108-E111 PolarHBondContact O-N 2.94Å; I108-E111 VanDerWaalsContact O-N 3.11Å
112	V	85.3	Confident	86	Confident	10 Å²	10	33.9 Å²	33.9	6%	0.061	17%	0.169	C	C	.	.			trans	-80.4	126.3	-175.9	172.7	0	0	0	0	111.6	I108 I117 L171 L174 I176	I108-V112 HydrophobicContact CG2-CG2 3.97Å; I108-V112 VanDerWaalsContact O-CG2 3.3Å; I108-V112 WeakPolarHBondContact O-CG2 3.34Å; I108-V112 PolarHBondContact O-N 3.29Å; V112-I117 HydrophobicContact CG1-CB 3.97Å; V112-I117 HydrophobicContact CG1-CD1 3.51Å; V112-I117 HydrophobicContact CG1-CG1 4.31Å; V112-I117 HydrophobicContact CG1-CG2 3.62Å; V112-L171 HydrophobicContact CG1-CD2 4.35Å; V112-L171 HydrophobicContact CG2-CD2 3.64Å; V112-L174 HydrophobicContact CG2-CD1 3.87Å; V112-I176 HydrophobicContact CG2-CD1 4.26Å
113	N	86.8	Confident	86.4	Confident	127 Å²	127	33.5 Å²	33.5	68%	0.679	17%	0.167	S	C	*	.			trans	-136.9	98.7	172	-177.1	34.1	0	0	0	110.2
114	H	93.1	Very high	86.8	Confident	15 Å²	15	30.4 Å²	30.4	7%	0.069	15%	0.153	C	C	.	.			trans	-147.4	141.2	-174.8	-169.5	-93.4	0	0	0	111	F116 I117 L166 H170 F323	H114-F116 AromaticContact CE1-CD2 3.61Å; H114-F116 PolarHBondContact ND1-N 2.83Å; H114-F116 PolarHBondContact O-N 2.8Å; H114-I117 HydrophobicContact CB-CB 4.17Å; H114-I117 HydrophobicContact CB-CD1 3.89Å; H114-I117 HydrophobicContact CB-CG1 4.04Å; H114-I117 PolarHBondContact O-N 3.02Å; H114-I117 VanDerWaalsContact O-N 3.12Å; H114-L166 PolarHBondContact NE2-O 3.17Å; H114-H170 HydrophobicContact CB-CB 4.49Å; H114-H170 AromaticContact CD2-CG 3.69Å; H114-F323 AromaticContact CD2-CE2 3.71Å; H114-F323 AromaticContact NE2-CD2 3.79Å; H114-F323 AromaticContact NE2-CE2 3.43Å; H114-F323 WeakPolarHBondContact NE2-CE2 3.42Å
115	P	93.9	Very high	87	Confident	32 Å²	32	30.3 Å²	30.3	21%	0.208	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-35.5	-177.1	19.7	-33	0	0	0	113.6	K195 F323 R325	P115-K195 WeakPolarHBondContact O-CE 3.49Å; P115-K195 PolarHBondContact O-NZ 2.74Å; P115-F323 HydrophobicContact CG-CD2 4.07Å; P115-F323 HydrophobicContact CG-CE2 3.97Å; P115-F323 HydrophobicContact CG-CZ 4.43Å; P115-R325 HydrophobicContact CB-CG 4.39Å
116	F	95.9	Very high	86.8	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	19.8	-177.4	-51.6	-50.2	0	0	0	114	H114 E163 L166 A167 H193 I194 K195 L196 L322 R325	H114-F116 AromaticContact CE1-CD2 3.61Å; H114-F116 PolarHBondContact ND1-N 2.83Å; H114-F116 PolarHBondContact O-N 2.8Å; F116-E163 HydrophobicContact CD1-CB 4.18Å; F116-E163 HydrophobicContact CD1-CG 4.28Å; F116-E163 HydrophobicContact CD2-CB 3.96Å; F116-E163 HydrophobicContact CD2-CG 4.38Å; F116-E163 HydrophobicContact CE1-CB 4.28Å; F116-E163 HydrophobicContact CE1-CG 3.89Å; F116-E163 WeakPolarHBondContact CE1-OE1 3.33Å; F116-E163 HydrophobicContact CE2-CB 4.1Å; F116-E163 HydrophobicContact CE2-CG 4.04Å; F116-E163 HydrophobicContact CG-CB 4.03Å; F116-E163 HydrophobicContact CZ-CB 4.24Å; F116-E163 HydrophobicContact CZ-CG 3.77Å; F116-L166 HydrophobicContact CD2-CB 4.16Å; F116-L166 HydrophobicContact CD2-CD1 4.39Å; F116-L166 HydrophobicContact CE2-CB 4.41Å; F116-L166 HydrophobicContact CE2-CD1 3.82Å; F116-A167 HydrophobicContact CB-CB 4.04Å; F116-H193 HydrophobicContact CD1-CB 4.43Å; F116-H193 HydrophobicContact CE1-CB 4.13Å; F116-H193 AromaticContact CE1-ND1 3.94Å; F116-I194 WeakPolarHBondContact CA-O 3.15Å; F116-I194 HydrophobicContact CB-CD1 4.17Å; F116-I194 WeakPolarHBondContact CD1-O 3.13Å; F116-K195 WeakPolarHBondContact O-CA 3.2Å; F116-L196 PolarHBondContact O-N 2.95Å; F116-L322 HydrophobicContact CE2-CG 4.44Å; F116-L322 HydrophobicContact CZ-CG 4.32Å; F116-L322 VanDerWaalsContact CZ-O 3.32Å; F116-L322 WeakPolarHBondContact CZ-O 3.36Å; F116-R325 HydrophobicContact CE1-CG 4.02Å; F116-R325 HydrophobicContact CZ-CG 4.22Å
117	I	94.2	Very high	86.3	Confident	3 Å²	3	37.9 Å²	37.9	2%	0.015	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-124.8	144	173.1	-60.6	176.2	0	0	0	108.9	V112 H114 A167 L171 K195 L196 F199	V112-I117 HydrophobicContact CG1-CB 3.97Å; V112-I117 HydrophobicContact CG1-CD1 3.51Å; V112-I117 HydrophobicContact CG1-CG1 4.31Å; V112-I117 HydrophobicContact CG1-CG2 3.62Å; H114-I117 HydrophobicContact CB-CB 4.17Å; H114-I117 HydrophobicContact CB-CD1 3.89Å; H114-I117 HydrophobicContact CB-CG1 4.04Å; H114-I117 PolarHBondContact O-N 3.02Å; H114-I117 VanDerWaalsContact O-N 3.12Å; I117-A167 HydrophobicContact CD1-CB 4.3Å; I117-A167 HydrophobicContact CG1-CB 3.96Å; I117-L171 HydrophobicContact CD1-CD1 4.22Å; I117-L171 HydrophobicContact CD1-CD2 3.92Å; I117-L171 HydrophobicContact CD1-CG 3.85Å; I117-K195 PolarHBondContact O-NZ 2.91Å; I117-L196 HydrophobicContact CG1-CB 4.48Å; I117-F199 HydrophobicContact CG2-CE1 4.41Å; I117-F199 HydrophobicContact CG2-CE2 3.77Å; I117-F199 HydrophobicContact CG2-CZ 3.4Å; I117-F199 VanDerWaalsContact CG2-CZ 3.4Å
118	V	91.9	Very high	86	Confident	4 Å²	4	35.7 Å²	35.7	2%	0.024	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-63.4	133.6	175.6	74.8	0	0	0	0	110.5	L109 L134 D135 L137 L196 F199	L109-V118 HydrophobicContact CD2-CG1 3.84Å; V118-L134 HydrophobicContact CG2-CB 4Å; V118-D135 HydrophobicContact CG2-CB 3.9Å; V118-L137 HydrophobicContact CG2-CD1 4.49Å; V118-L196 WeakPolarHBondContact CB-O 3.37Å; V118-L196 WeakPolarHBondContact CG1-O 3.32Å; V118-L196 PolarHBondContact N-O 3.3Å; V118-F199 HydrophobicContact CG1-CE2 4.14Å
119	K	90.6	Very high	85.9	Confident	68 Å²	68	36.1 Å²	36.1	30%	0.296	18%	0.183	S	C	.	.	P	Polyproline II helix	trans	-88.9	138.7	176.5	-172	172.4	179.9	174.9	0	111.5	L134 D135	K119-L134 VanDerWaalsContact O-CA 3.3Å; K119-L134 WeakPolarHBondContact O-CA 3.44Å; K119-D135 WeakPolarHBondContact CB-OD2 3.35Å; K119-D135 PolarHBondContact N-OD2 2.94Å; K119-D135 PolarHBondContact O-N 2.81Å; K119-D135 VanDerWaalsContact O-N 3.1Å
120	L	89.9	Confident	85.8	Confident	3 Å²	3	35.9 Å²	35.9	2%	0.016	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	121.1	166	178.1	73.4	0	0	0	110.1	R106 L109 V110 Y122 A123 L132 L134 F374	R106-L120 HydrophobicContact CG-CD2 4.18Å; L109-L120 HydrophobicContact CB-CB 3.77Å; L109-L120 HydrophobicContact CB-CD2 3.95Å; L109-L120 HydrophobicContact CB-CG 4.44Å; V110-L120 HydrophobicContact CG2-CD2 3.88Å; L120-Y122 VanDerWaalsContact CD1-O 3.27Å; L120-Y122 WeakPolarHBondContact CD1-O 3.45Å; L120-A123 HydrophobicContact CD2-CB 4.35Å; L120-L132 HydrophobicContact CD1-CB 4.04Å; L120-L132 HydrophobicContact CD1-CD2 3.92Å; L120-L134 HydrophobicContact CB-CD2 4.12Å; L120-L134 HydrophobicContact CD1-CD2 3.76Å; L120-F374 HydrophobicContact CD2-CD1 4.01Å; L120-F374 HydrophobicContact CD2-CE1 4.36Å; L120-F374 HydrophobicContact CG-CD1 4.33Å
121	H	87.7	Confident	86.1	Confident	35 Å²	35	33.5 Å²	33.5	16%	0.162	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-42.3	179.1	-65.5	-93	0	0	0	111.6	Y84 I133 D135 A376	Y84-H121 HydrophobicContact CD1-CB 4.47Å; Y84-H121 AromaticContact CD1-CD2 3.85Å; Y84-H121 HydrophobicContact CE1-CB 4.02Å; Y84-H121 AromaticContact CE1-CD2 3.6Å; Y84-H121 AromaticContact CE1-CE1 3.93Å; Y84-H121 AromaticContact CE1-CG 3.52Å; Y84-H121 AromaticContact CE1-ND1 3.76Å; Y84-H121 AromaticContact CE1-NE2 3.86Å; H121-I133 PolarHBondContact N-O 3.07Å; H121-D135 IonicContact CD2-OD1 2.81Å; H121-D135 IonicContact CE1-OD1 3.6Å; H121-D135 IonicContact NE2-OD1 3.62Å; H121-D135 PolarHBondContact NE2-OD1 2.88Å; H121-A376 WeakPolarHBondContact O-CB 3.42Å; H121-A376 PolarHBondContact O-N 3.48Å
122	Y	86.6	Confident	86.4	Confident	22 Å²	22	27.8 Å²	27.8	9%	0.086	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	142.4	179.9	-50.4	-92.7	0	0	0	110.3	A50 F55 K74 D79 Y84 L120 I133 F374 V375	A50-Y122 HydrophobicContact CB-CD1 4.06Å; F55-Y122 HydrophobicContact CE1-CD2 4.41Å; F55-Y122 AromaticContact CZ-CD2 3.97Å; F55-Y122 HydrophobicContact CZ-CD2 3.97Å; F55-Y122 HydrophobicContact CZ-CE2 4.33Å; F55-Y122 HydrophobicContact CZ-CG 4.25Å; K74-Y122 HydrophobicContact CD-CE2 4.49Å; K74-Y122 PolarHBondContact NZ-OH 3.39Å; D79-Y122 PolarHBondContact OD1-OH 3.45Å; D79-Y122 PolarHBondContact OD2-OH 3.19Å; Y84-Y122 HydrophobicContact CE2-CE2 4.49Å; L120-Y122 VanDerWaalsContact CD1-O 3.27Å; L120-Y122 WeakPolarHBondContact CD1-O 3.45Å; Y122-I133 HydrophobicContact CD2-CB 3.86Å; Y122-I133 HydrophobicContact CD2-CG1 4.23Å; Y122-I133 HydrophobicContact CD2-CG2 3.8Å; Y122-I133 HydrophobicContact CG-CB 4.31Å; Y122-I133 HydrophobicContact CG-CG1 4.35Å; Y122-I133 PolarHBondContact N-O 2.73Å; Y122-I133 PolarHBondContact O-N 2.75Å; Y122-F374 WeakPolarHBondContact CA-O 3.39Å; Y122-V375 HydrophobicContact CD1-CB 4.35Å; Y122-V375 HydrophobicContact CD1-CG1 3.93Å; Y122-V375 HydrophobicContact CD1-CG2 4.09Å; Y122-V375 HydrophobicContact CE1-CG1 3.67Å
123	A	84.8	Confident	86.7	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136	161.7	0	0	0	0	0	108.5	R106 L120 Y131 L132 F372 S373 F374	R106-A123 HydrophobicContact CG-CB 3.75Å; L120-A123 HydrophobicContact CD2-CB 4.35Å; A123-Y131 VanDerWaalsContact CA-O 3.32Å; A123-Y131 WeakPolarHBondContact CA-O 3.49Å; A123-L132 HydrophobicContact CB-CD2 3.72Å; A123-F372 HydrophobicContact CB-CD1 4.32Å; A123-F372 HydrophobicContact CB-CE1 4.02Å; A123-F372 WeakPolarHBondContact CB-O 3.36Å; A123-S373 CarbonylContact O-C 3.58Å; A123-S373 WeakPolarHBondContact O-CA 3.47Å; A123-F374 HydrophobicContact CB-CB 4.08Å; A123-F374 PolarHBondContact N-O 3.24Å; A123-F374 PolarHBondContact O-N 3.48Å; A123-F374 VanDerWaalsContact O-O 3.13Å
124	F	85.6	Confident	87	Confident	3 Å²	3	21.8 Å²	21.8	1%	0.013	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	172.7	175.6	56.2	-91.7	0	0	0	110.7	A50 P52 F55 M86 Y131 I133 F372	A50-F124 HydrophobicContact CB-CB 4.25Å; A50-F124 HydrophobicContact CB-CD1 3.54Å; A50-F124 HydrophobicContact CB-CE1 4.16Å; A50-F124 HydrophobicContact CB-CG 4.11Å; P52-F124 HydrophobicContact CB-CE2 4.29Å; P52-F124 HydrophobicContact CG-CD2 4.38Å; P52-F124 HydrophobicContact CG-CE2 3.7Å; F55-F124 HydrophobicContact CD2-CE1 4.3Å; F55-F124 HydrophobicContact CD2-CZ 4.08Å; F55-F124 AromaticContact CE2-CE1 3.67Å; F55-F124 HydrophobicContact CE2-CE1 3.67Å; F55-F124 AromaticContact CE2-CZ 3.92Å; F55-F124 HydrophobicContact CE2-CZ 3.92Å; F55-F124 HydrophobicContact CZ-CE1 4.36Å; M86-F124 HydrophobicContact CE-CZ 4.41Å; F124-Y131 AromaticContact CD2-CD2 3.65Å; F124-Y131 HydrophobicContact CD2-CD2 3.65Å; F124-Y131 HydrophobicContact CD2-CE2 4.5Å; F124-Y131 AromaticContact CD2-CG 3.75Å; F124-Y131 HydrophobicContact CD2-CG 3.75Å; F124-Y131 AromaticContact CE2-CD1 3.75Å; F124-Y131 HydrophobicContact CE2-CD1 3.75Å; F124-Y131 AromaticContact CE2-CD2 3.52Å; F124-Y131 HydrophobicContact CE2-CD2 3.52Å; F124-Y131 HydrophobicContact CE2-CE1 4.42Å; F124-Y131 HydrophobicContact CE2-CE2 4.23Å; F124-Y131 AromaticContact CE2-CG 3.25Å; F124-Y131 HydrophobicContact CE2-CG 3.25Å; F124-Y131 HydrophobicContact CZ-CD1 4.09Å; F124-Y131 AromaticContact CZ-CG 3.83Å; F124-Y131 HydrophobicContact CZ-CG 3.83Å; F124-Y131 PolarHBondContact N-O 3.44Å; F124-Y131 PolarHBondContact O-N 3.07Å; F124-I133 HydrophobicContact CE1-CD1 3.95Å; F124-I133 HydrophobicContact CE1-CG1 3.7Å; F124-I133 HydrophobicContact CZ-CD1 4.19Å; F124-I133 HydrophobicContact CZ-CG1 4.44Å; F124-F372 WeakPolarHBondContact O-CD1 3.23Å; F124-F372 WeakPolarHBondContact O-CE1 3.28Å
125	Q	81.4	Confident	86.8	Confident	49 Å²	49	22.6 Å²	22.6	23%	0.229	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	150.8	-175.9	64.4	-179.8	-42.6	0	0	111	K129 L130 F369 F372	Q125-K129 WeakPolarHBondContact CA-O 3.47Å; Q125-K129 WeakPolarHBondContact CB-O 3.34Å; Q125-L130 HydrophobicContact CB-CD2 3.71Å; Q125-F369 PolarHBondContact NE2-O 2.83Å; Q125-F372 HydrophobicContact CB-CD1 4.22Å
126	T	80.6	Confident	86.6	Confident	47 Å²	47	22.2 Å²	22.2	29%	0.288	11%	0.107	S	C	.	.			trans	-111.3	-177.1	166.4	60.5	0	0	0	0	109.2	P52 K91 G128 K129 Y131	P52-T126 HydrophobicContact CG-CG2 3.77Å; K91-T126 PolarHBondContact NZ-O 3.24Å; T126-G128 VanDerWaalsContact C-N 3.27Å; T126-G128 PolarHBondContact O-N 2.75Å; T126-K129 PolarHBondContact N-O 3.28Å; T126-K129 PolarHBondContact OG1-N 3.28Å; T126-Y131 HydrophobicContact CG2-CE2 3.76Å
127	E	73.4	Confident	86.2	Confident	140 Å²	140	22.8 Å²	22.8	65%	0.654	11%	0.11	S	C	*	.	S	Bend	trans	-54.3	-44.9	176.2	-67.6	-172.2	167.3	0	0	111.9	P361	E127-P361 WeakPolarHBondContact O-CD 3.37Å
128	G	72.9	Confident	85.5	Confident	4 Å²	4	26 Å²	26	4%	0.041	12%	0.122	C	C	.	.	S	Bend	trans	-99.8	-11	-174.9	0	0	0	0	0	116.6	K91 T126	K91-G128 WeakPolarHBondContact CB-O 3.47Å; K91-G128 PolarHBondContact N-O 2.89Å; T126-G128 VanDerWaalsContact C-N 3.27Å; T126-G128 PolarHBondContact O-N 2.75Å
129	K	82.6	Confident	84.5	Confident	11 Å²	11	25.8 Å²	25.8	5%	0.048	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	160.7	-166.6	-62.1	174.1	-175	176.2	0	114.7	V88 L89 K91 Q125 T126 Y131 D355 S356	V88-K129 HydrophobicContact CG1-CB 4.47Å; V88-K129 HydrophobicContact CG1-CD 3.91Å; L89-K129 CarbonylContact O-C 3.51Å; L89-K129 VanDerWaalsContact O-CA 3.25Å; L89-K129 WeakPolarHBondContact O-CA 3.48Å; L89-K129 WeakPolarHBondContact O-CB 3.2Å; K91-K129 WeakPolarHBondContact CE-O 3.32Å; Q125-K129 WeakPolarHBondContact CA-O 3.47Å; Q125-K129 WeakPolarHBondContact CB-O 3.34Å; T126-K129 PolarHBondContact N-O 3.28Å; T126-K129 PolarHBondContact OG1-N 3.28Å; K129-Y131 HydrophobicContact CB-CD2 4.41Å; K129-Y131 HydrophobicContact CB-CE2 3.62Å; K129-Y131 HydrophobicContact CD-CE2 4.46Å; K129-Y131 VanDerWaalsContact CD-OH 3.27Å; K129-Y131 WeakPolarHBondContact CD-OH 3.45Å; K129-D355 IonicContact NZ-OD1 3.82Å; K129-D355 PolarHBondContact NZ-OD1 3.4Å; K129-D355 IonicContact NZ-OD2 3.78Å; K129-D355 PolarHBondContact NZ-OD2 2.97Å; K129-S356 WeakPolarHBondContact CE-O 3.37Å; K129-S356 PolarHBondContact NZ-O 3.35Å
130	L	83.7	Confident	83.8	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	143.3	171.5	-58.5	172.4	0	0	0	109.3	V88 L89 K91 L94 T102 Q125 F369 F372	V88-L130 WeakPolarHBondContact CA-O 3.4Å; L89-L130 HydrophobicContact CB-CB 4.39Å; L89-L130 HydrophobicContact CD1-CB 4.37Å; L89-L130 PolarHBondContact N-O 2.98Å; L89-L130 PolarHBondContact O-N 2.77Å; K91-L130 HydrophobicContact CD-CD2 4.49Å; K91-L130 HydrophobicContact CG-CD2 4.43Å; K91-L130 HydrophobicContact CG-CG 4.04Å; L94-L130 HydrophobicContact CD1-CD1 4.04Å; T102-L130 HydrophobicContact CG2-CD1 3.66Å; Q125-L130 HydrophobicContact CB-CD2 3.71Å; L130-F369 HydrophobicContact CD1-CD1 3.89Å; L130-F369 HydrophobicContact CD1-CE1 3.45Å; L130-F369 VanDerWaalsContact CD1-CE1 3.45Å; L130-F369 HydrophobicContact CD1-CE2 4.37Å; L130-F369 HydrophobicContact CD1-CZ 3.69Å; L130-F369 HydrophobicContact CD2-CB 4.43Å; L130-F369 HydrophobicContact CD2-CD1 4.05Å; L130-F369 HydrophobicContact CD2-CE1 4.44Å; L130-F369 HydrophobicContact CD2-CG 4.12Å; L130-F372 HydrophobicContact CB-CE1 4.02Å; L130-F372 HydrophobicContact CB-CZ 3.94Å; L130-F372 HydrophobicContact CD1-CE2 4.29Å; L130-F372 HydrophobicContact CD1-CZ 4.35Å; L130-F372 HydrophobicContact CD2-CD1 3.92Å; L130-F372 HydrophobicContact CD2-CD2 4.2Å; L130-F372 HydrophobicContact CD2-CE1 3.96Å; L130-F372 HydrophobicContact CD2-CE2 4.23Å; L130-F372 HydrophobicContact CD2-CG 4.04Å; L130-F372 HydrophobicContact CD2-CZ 4.1Å; L130-F372 HydrophobicContact CG-CZ 4.36Å
131	Y	86.1	Confident	82.9	Confident	10 Å²	10	23.7 Å²	23.7	4%	0.039	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	128	-176.8	-61.6	-98.5	0	0	0	109.6	P52 M86 K87 V88 A123 F124 T126 K129 D355	P52-Y131 HydrophobicContact CB-CE1 4.39Å; P52-Y131 HydrophobicContact CG-CE1 4.24Å; P52-Y131 HydrophobicContact CG-CE2 4.04Å; M86-Y131 HydrophobicContact CG-CD1 4.24Å; M86-Y131 HydrophobicContact SD-CD1 3.86Å; M86-Y131 HydrophobicContact SD-CE1 4.21Å; K87-Y131 WeakPolarHBondContact O-CA 3.48Å; V88-Y131 HydrophobicContact CB-CD1 4.47Å; V88-Y131 HydrophobicContact CB-CE1 4.42Å; V88-Y131 HydrophobicContact CG1-CD1 4.22Å; V88-Y131 HydrophobicContact CG1-CE1 3.8Å; V88-Y131 HydrophobicContact CG2-CD1 3.76Å; V88-Y131 HydrophobicContact CG2-CE1 3.79Å; A123-Y131 VanDerWaalsContact CA-O 3.32Å; A123-Y131 WeakPolarHBondContact CA-O 3.49Å; F124-Y131 AromaticContact CD2-CD2 3.65Å; F124-Y131 HydrophobicContact CD2-CD2 3.65Å; F124-Y131 HydrophobicContact CD2-CE2 4.5Å; F124-Y131 AromaticContact CD2-CG 3.75Å; F124-Y131 HydrophobicContact CD2-CG 3.75Å; F124-Y131 AromaticContact CE2-CD1 3.75Å; F124-Y131 HydrophobicContact CE2-CD1 3.75Å; F124-Y131 AromaticContact CE2-CD2 3.52Å; F124-Y131 HydrophobicContact CE2-CD2 3.52Å; F124-Y131 HydrophobicContact CE2-CE1 4.42Å; F124-Y131 HydrophobicContact CE2-CE2 4.23Å; F124-Y131 AromaticContact CE2-CG 3.25Å; F124-Y131 HydrophobicContact CE2-CG 3.25Å; F124-Y131 HydrophobicContact CZ-CD1 4.09Å; F124-Y131 AromaticContact CZ-CG 3.83Å; F124-Y131 HydrophobicContact CZ-CG 3.83Å; F124-Y131 PolarHBondContact N-O 3.44Å; F124-Y131 PolarHBondContact O-N 3.07Å; T126-Y131 HydrophobicContact CG2-CE2 3.76Å; K129-Y131 HydrophobicContact CB-CD2 4.41Å; K129-Y131 HydrophobicContact CB-CE2 3.62Å; K129-Y131 HydrophobicContact CD-CE2 4.46Å; K129-Y131 VanDerWaalsContact CD-OH 3.27Å; K129-Y131 WeakPolarHBondContact CD-OH 3.45Å; Y131-D355 PolarHBondContact OH-OD2 3.05Å
132	L	88.5	Confident	81.9	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.6	169.9	-60.3	173.4	0	0	0	108.2	M86 K87 R106 L120 A123 F372	M86-L132 WeakPolarHBondContact CA-O 3.35Å; K87-L132 HydrophobicContact CB-CB 4.32Å; K87-L132 PolarHBondContact N-O 2.93Å; K87-L132 PolarHBondContact O-N 2.94Å; R106-L132 HydrophobicContact CB-CD2 4.02Å; R106-L132 HydrophobicContact CG-CD2 3.83Å; L120-L132 HydrophobicContact CD1-CB 4.04Å; L120-L132 HydrophobicContact CD1-CD2 3.92Å; A123-L132 HydrophobicContact CB-CD2 3.72Å; L132-F372 HydrophobicContact CD2-CE1 4.13Å; L132-F372 HydrophobicContact CD2-CZ 3.66Å; L132-F372 HydrophobicContact CG-CZ 4.27Å
133	I	91.3	Very high	80.6	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	110.8	179.1	-49.6	-57.5	0	0	0	108.2	F55 Y84 M86 H121 Y122 F124	F55-I133 HydrophobicContact CE1-CD1 4.36Å; F55-I133 HydrophobicContact CE1-CG1 4.24Å; F55-I133 HydrophobicContact CE1-CG2 3.98Å; F55-I133 HydrophobicContact CE2-CD1 4.48Å; F55-I133 HydrophobicContact CE2-CG1 4.38Å; F55-I133 HydrophobicContact CZ-CD1 4.32Å; F55-I133 HydrophobicContact CZ-CG1 3.95Å; F55-I133 HydrophobicContact CZ-CG2 4.39Å; Y84-I133 VanDerWaalsContact CB-CG2 3.45Å; Y84-I133 HydrophobicContact CD1-CG2 3.85Å; Y84-I133 HydrophobicContact CD2-CG2 4.08Å; Y84-I133 HydrophobicContact CG-CG2 3.52Å; M86-I133 HydrophobicContact CB-CD1 3.77Å; M86-I133 HydrophobicContact CE-CD1 3.61Å; M86-I133 HydrophobicContact CG-CD1 3.58Å; M86-I133 HydrophobicContact SD-CD1 4.42Å; H121-I133 PolarHBondContact N-O 3.07Å; Y122-I133 HydrophobicContact CD2-CB 3.86Å; Y122-I133 HydrophobicContact CD2-CG1 4.23Å; Y122-I133 HydrophobicContact CD2-CG2 3.8Å; Y122-I133 HydrophobicContact CG-CB 4.31Å; Y122-I133 HydrophobicContact CG-CG1 4.35Å; Y122-I133 PolarHBondContact N-O 2.73Å; Y122-I133 PolarHBondContact O-N 2.75Å; F124-I133 HydrophobicContact CE1-CD1 3.95Å; F124-I133 HydrophobicContact CE1-CG1 3.7Å; F124-I133 HydrophobicContact CZ-CD1 4.19Å; F124-I133 HydrophobicContact CZ-CG1 4.44Å
134	L	91.6	Very high	79.3	Confident	12 Å²	12	24 Å²	24	6%	0.063	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	166.2	-170.4	-58.2	170.3	0	0	0	111	A85 L109 V118 K119 L120 F136	A85-L134 HydrophobicContact CB-CB 4.43Å; A85-L134 PolarHBondContact N-O 2.96Å; A85-L134 PolarHBondContact O-N 2.8Å; L109-L134 HydrophobicContact CD1-CD2 3.93Å; V118-L134 HydrophobicContact CG2-CB 4Å; K119-L134 VanDerWaalsContact O-CA 3.3Å; K119-L134 WeakPolarHBondContact O-CA 3.44Å; L120-L134 HydrophobicContact CB-CD2 4.12Å; L120-L134 HydrophobicContact CD1-CD2 3.76Å; L134-F136 PolarHBondContact O-N 3.23Å
135	D	90.4	Very high	77.9	Confident	31 Å²	31	25.6 Å²	25.6	17%	0.166	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.1	133.3	167.5	-69.3	-25.6	0	0	0	110.7	V118 K119 H121 L137 K195	V118-D135 HydrophobicContact CG2-CB 3.9Å; K119-D135 WeakPolarHBondContact CB-OD2 3.35Å; K119-D135 PolarHBondContact N-OD2 2.94Å; K119-D135 PolarHBondContact O-N 2.81Å; K119-D135 VanDerWaalsContact O-N 3.1Å; H121-D135 IonicContact CD2-OD1 2.81Å; H121-D135 IonicContact CE1-OD1 3.6Å; H121-D135 IonicContact NE2-OD1 3.62Å; H121-D135 PolarHBondContact NE2-OD1 2.88Å; D135-L137 HydrophobicContact CB-CD2 3.83Å; D135-L137 HydrophobicContact CB-CG 4.28Å; D135-K195 IonicContact OD2-NZ 3.84Å; D135-K195 PolarHBondContact OD2-NZ 3.21Å
136	F	89.5	Confident	76.5	Confident	25 Å²	25	24.4 Å²	24.4	11%	0.11	12%	0.119	C	C	.	.			trans	-85.8	112.5	167.9	175.3	-129.2	0	0	0	110.1	L61 L71 L83 L134 R138 T341 F344	L61-F136 HydrophobicContact CD1-CD2 3.79Å; L61-F136 HydrophobicContact CD1-CE2 3.67Å; L61-F136 HydrophobicContact CD2-CE2 4.05Å; L71-F136 HydrophobicContact CD1-CB 4.4Å; L71-F136 HydrophobicContact CD1-CD1 3.58Å; L71-F136 HydrophobicContact CD1-CD2 3.71Å; L71-F136 HydrophobicContact CD1-CE1 3.62Å; L71-F136 HydrophobicContact CD1-CE2 3.78Å; L71-F136 HydrophobicContact CD1-CG 3.62Å; L71-F136 HydrophobicContact CD1-CZ 3.74Å; L71-F136 HydrophobicContact CD2-CE1 4.25Å; L71-F136 HydrophobicContact CD2-CZ 4.02Å; L71-F136 HydrophobicContact CG-CZ 4.44Å; L83-F136 HydrophobicContact CB-CD1 4.15Å; L134-F136 PolarHBondContact O-N 3.23Å; F136-R138 HydrophobicContact CD1-CG 3.85Å; F136-R138 HydrophobicContact CE1-CG 3.41Å; F136-R138 VanDerWaalsContact CE1-CG 3.41Å; F136-R138 HydrophobicContact CZ-CG 3.92Å; F136-T341 HydrophobicContact CZ-CG2 4.33Å; F136-F344 HydrophobicContact CD2-CZ 4.36Å; F136-F344 AromaticContact CE2-CE2 3.67Å; F136-F344 HydrophobicContact CE2-CE2 3.67Å; F136-F344 AromaticContact CE2-CZ 3.56Å; F136-F344 HydrophobicContact CE2-CZ 3.56Å; F136-F344 AromaticContact CZ-CE2 3.96Å; F136-F344 HydrophobicContact CZ-CE2 3.96Å; F136-F344 HydrophobicContact CZ-CZ 4.32Å
137	L	87	Confident	74.8	Confident	11 Å²	11	23.4 Å²	23.4	6%	0.058	11%	0.114	C	C	.	.			trans	-102.6	96.7	-175.4	-56.8	-177.2	0	0	0	110.8	V118 D135 G139 G140 L187 L188 D189 K195 F344	V118-L137 HydrophobicContact CG2-CD1 4.49Å; D135-L137 HydrophobicContact CB-CD2 3.83Å; D135-L137 HydrophobicContact CB-CG 4.28Å; L137-G139 VanDerWaalsContact C-N 3.29Å; L137-G139 PolarHBondContact O-N 3.45Å; L137-G140 PolarHBondContact O-N 3.46Å; L137-L187 HydrophobicContact CB-CB 4.05Å; L137-L187 HydrophobicContact CB-CD1 4.3Å; L137-L187 HydrophobicContact CD1-CB 3.58Å; L137-L187 HydrophobicContact CD1-CD1 3.98Å; L137-L187 HydrophobicContact CD1-CG 4.34Å; L137-L187 HydrophobicContact CG-CB 4.47Å; L137-L188 CarbonylContact C-O 3.56Å; L137-D189 HydrophobicContact CD2-CB 4.36Å; L137-K195 HydrophobicContact CD1-CB 3.59Å; L137-K195 HydrophobicContact CD1-CD 3.88Å; L137-K195 HydrophobicContact CD1-CG 4.28Å; L137-K195 HydrophobicContact CD2-CD 3.61Å; L137-K195 HydrophobicContact CG-CD 4.41Å; L137-F344 VanDerWaalsContact O-CZ 3.29Å; L137-F344 WeakPolarHBondContact O-CZ 3.29Å
138	R	78.5	Confident	73.6	Confident	70 Å²	70	22.5 Å²	22.5	26%	0.264	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-26.9	-170.4	-70.8	179.1	-178.1	148.9	7.4	114.7	F136 G140 E190 P338 C343	F136-R138 HydrophobicContact CD1-CG 3.85Å; F136-R138 HydrophobicContact CE1-CG 3.41Å; F136-R138 VanDerWaalsContact CE1-CG 3.41Å; F136-R138 HydrophobicContact CZ-CG 3.92Å; R138-G140 PolarHBondContact O-N 2.96Å; R138-G140 VanDerWaalsContact O-N 3.13Å; R138-E190 IonicContact NH1-OE2 2.74Å; R138-E190 PolarHBondContact NH1-OE2 2.97Å; R138-P338 VanDerWaalsContact CZ-CA 3.46Å; R138-P338 PolarHBondContact NE-O 3.48Å; R138-P338 VanDerWaalsContact NH2-CB 3.26Å; R138-P338 PolarHBondContact NH2-O 2.66Å; R138-C343 WeakPolarHBondContact O-CB 3.33Å
139	G	72	Confident	72.4	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.01	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-5.7	-179.2	0	0	0	0	0	113.8	L137 L188 C343	L137-G139 VanDerWaalsContact C-N 3.29Å; L137-G139 PolarHBondContact O-N 3.45Å; G139-L188 VanDerWaalsContact CA-O 3.23Å; G139-L188 WeakPolarHBondContact CA-O 3.44Å; G139-L188 PolarHBondContact N-O 3.11Å; G139-C343 WeakPolarHBondContact O-CB 3.49Å
140	G	75.4	Confident	70.7	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.01	14%	0.137	C	C	.	.			trans	69.1	-166.9	-179.9	0	0	0	0	0	111.8	L137 R138 L187 L188	L137-G140 PolarHBondContact O-N 3.46Å; R138-G140 PolarHBondContact O-N 2.96Å; R138-G140 VanDerWaalsContact O-N 3.13Å; G140-L187 CarbonylContact O-C 3.35Å; G140-L187 VanDerWaalsContact O-CA 3.28Å; G140-L187 WeakPolarHBondContact O-CA 3.49Å; G140-L188 PolarHBondContact O-N 2.88Å
141	D	71.7	Confident	69.2	Low	26 Å²	26	29 Å²	29	14%	0.139	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-74.8	136.8	172.7	67.7	101.8	0	0	0	110.8	F143 T144 L187 R717	D141-F143 PolarHBondContact O-N 3.27Å; D141-F143 WeakPolarHBondContact OD1-CB 3.39Å; D141-F143 PolarHBondContact OD1-N 2.87Å; D141-T144 PolarHBondContact O-N 2.85Å; D141-T144 VanDerWaalsContact O-N 3.13Å; D141-T144 PolarHBondContact OD1-N 2.81Å; D141-T144 PolarHBondContact OD1-OG1 2.9Å; D141-T144 WeakPolarHBondContact OD2-CB 3.29Å; D141-T144 PolarHBondContact OD2-OG1 3.13Å; D141-L187 VanDerWaalsContact CA-CD2 3.47Å; D141-L187 HydrophobicContact CB-CD2 3.64Å; D141-R717 VanDerWaalsContact CG-NH2 3.28Å; D141-R717 IonicContact OD1-CZ 3.39Å; D141-R717 IonicContact OD1-NH1 2.92Å; D141-R717 PolarHBondContact OD1-NH1 3.29Å; D141-R717 IonicContact OD1-NH2 3.01Å; D141-R717 PolarHBondContact OD1-NH2 3.04Å; D141-R717 IonicContact OD2-NH2 2.58Å; D141-R717 PolarHBondContact OD2-NH2 3.35Å
142	V	66.5	Low	68.2	Low	9 Å²	9	29.4 Å²	29.4	6%	0.055	15%	0.146	C	C	.	.	H	α-helix	trans	-46.4	-43	178.9	166	0	0	0	0	109.3	R145 L146 I186 L188 I194	V142-R145 WeakPolarHBondContact O-CB 3.3Å; V142-R145 PolarHBondContact O-N 3.49Å; V142-L146 HydrophobicContact CB-CD1 4.3Å; V142-L146 HydrophobicContact CG1-CD1 3.21Å; V142-L146 HydrophobicContact CG1-CG 4.18Å; V142-L146 WeakPolarHBondContact O-CD1 3.45Å; V142-L146 WeakPolarHBondContact O-CG 3.46Å; V142-L146 PolarHBondContact O-N 2.91Å; V142-L146 VanDerWaalsContact O-N 3.09Å; V142-I186 HydrophobicContact CB-CB 4.41Å; V142-I186 HydrophobicContact CB-CG2 4.36Å; V142-I186 WeakPolarHBondContact CB-O 3.25Å; V142-I186 HydrophobicContact CG2-CB 4.17Å; V142-I186 HydrophobicContact CG2-CG2 3.66Å; V142-I186 WeakPolarHBondContact CG2-O 3.42Å; V142-I186 PolarHBondContact N-O 2.96Å; V142-L188 HydrophobicContact CG2-CD1 4.11Å; V142-L188 HydrophobicContact CG2-CD2 3.7Å; V142-L188 HydrophobicContact CG2-CG 3.52Å; V142-I194 HydrophobicContact CG2-CG2 3.97Å
143	F	59.3	Low	67.5	Low	24 Å²	24	30.6 Å²	30.6	11%	0.105	15%	0.153	C	C	.	.	H	α-helix	trans	-69.5	-35.2	-175.8	-153.9	-105.2	0	0	0	116.6	D141 R145 L146 S147 P183 L713 R717	D141-F143 PolarHBondContact O-N 3.27Å; D141-F143 WeakPolarHBondContact OD1-CB 3.39Å; D141-F143 PolarHBondContact OD1-N 2.87Å; F143-R145 PolarHBondContact O-N 2.99Å; F143-L146 PolarHBondContact O-N 3.5Å; F143-S147 WeakPolarHBondContact O-CB 3.35Å; F143-S147 PolarHBondContact O-N 2.85Å; F143-S147 PolarHBondContact O-OG 2.84Å; F143-P183 HydrophobicContact CB-CB 3.74Å; F143-P183 HydrophobicContact CD2-CB 3.37Å; F143-P183 HydrophobicContact CD2-CG 3.79Å; F143-P183 HydrophobicContact CE2-CB 4.02Å; F143-P183 HydrophobicContact CE2-CG 3.94Å; F143-P183 HydrophobicContact CG-CB 3.78Å; F143-L713 HydrophobicContact CE1-CD1 3.85Å; F143-L713 HydrophobicContact CE1-CD2 3.76Å; F143-L713 HydrophobicContact CE1-CG 3.58Å; F143-L713 HydrophobicContact CE2-CD1 4.26Å; F143-L713 HydrophobicContact CE2-CD2 4.2Å; F143-L713 HydrophobicContact CZ-CD1 3.29Å; F143-L713 HydrophobicContact CZ-CD2 3.58Å; F143-L713 HydrophobicContact CZ-CG 3.5Å; F143-R717 HydrophobicContact CE1-CG 4.49Å
144	T	57.6	Low	67	Low	31 Å²	31	32.1 Å²	32.1	19%	0.19	16%	0.161	C	C	.	.	H	α-helix	trans	-61	-34	175	-67.2	0	0	0	0	110.6	D141 S147 K148 R717	D141-T144 PolarHBondContact O-N 2.85Å; D141-T144 VanDerWaalsContact O-N 3.13Å; D141-T144 PolarHBondContact OD1-N 2.81Å; D141-T144 PolarHBondContact OD1-OG1 2.9Å; D141-T144 WeakPolarHBondContact OD2-CB 3.29Å; D141-T144 PolarHBondContact OD2-OG1 3.13Å; T144-S147 PolarHBondContact O-OG 3.25Å; T144-K148 WeakPolarHBondContact O-CG 3.28Å; T144-R717 VanDerWaalsContact CA-NH1 3.27Å; T144-R717 VanDerWaalsContact N-NH1 3.11Å; T144-R717 PolarHBondContact OG1-NH1 2.98Å; T144-R717 PolarHBondContact OG1-NH2 3.16Å
145	R	56.8	Low	66.5	Low	35 Å²	35	35.9 Å²	35.9	13%	0.132	18%	0.178	C	C	.	.	H	α-helix	trans	-75	-42.2	175.7	-161.7	71.1	-153.3	178.6	4	112	V142 F143 S147 K148 E149 F331 E451	V142-R145 WeakPolarHBondContact O-CB 3.3Å; V142-R145 PolarHBondContact O-N 3.49Å; F143-R145 PolarHBondContact O-N 2.99Å; R145-S147 PolarHBondContact O-N 2.94Å; R145-K148 PolarHBondContact O-N 2.76Å; R145-E149 IonicContact CZ-OE1 3.28Å; R145-E149 IonicContact NE-OE1 3.16Å; R145-E149 PolarHBondContact NE-OE1 3.33Å; R145-E149 IonicContact NH2-OE1 3.45Å; R145-E149 PolarHBondContact NH2-OE1 2.73Å; R145-E149 PolarHBondContact O-N 2.9Å; R145-F331 VanDerWaalsContact CD-CZ 3.46Å; R145-F331 HydrophobicContact CG-CD1 4.31Å; R145-F331 HydrophobicContact CG-CE1 3.64Å; R145-F331 HydrophobicContact CG-CE2 4.19Å; R145-F331 HydrophobicContact CG-CZ 3.59Å; R145-E451 IonicContact CZ-OE1 3.87Å; R145-E451 IonicContact CZ-OE2 2.91Å; R145-E451 IonicContact NH1-OE1 3.8Å; R145-E451 IonicContact NH1-OE2 3.24Å; R145-E451 PolarHBondContact NH1-OE2 2.93Å; R145-E451 IonicContact NH2-OE1 3.15Å; R145-E451 PolarHBondContact NH2-OE1 2.91Å; R145-E451 IonicContact NH2-OE2 2.63Å; R145-E451 PolarHBondContact NH2-OE2 3.06Å
146	L	50.6	Low	66.2	Low	24 Å²	24	35.2 Å²	35.2	13%	0.126	17%	0.174	C	C	.	.	H	α-helix	trans	-73.5	-25.9	-177.3	-62.2	162.2	0	0	0	114.8	V142 F143 K148 F152	V142-L146 HydrophobicContact CB-CD1 4.3Å; V142-L146 HydrophobicContact CG1-CD1 3.21Å; V142-L146 HydrophobicContact CG1-CG 4.18Å; V142-L146 WeakPolarHBondContact O-CD1 3.45Å; V142-L146 WeakPolarHBondContact O-CG 3.46Å; V142-L146 PolarHBondContact O-N 2.91Å; V142-L146 VanDerWaalsContact O-N 3.09Å; F143-L146 PolarHBondContact O-N 3.5Å; L146-K148 VanDerWaalsContact C-N 3.32Å; L146-F152 HydrophobicContact CB-CE2 4.16Å; L146-F152 HydrophobicContact CB-CZ 4.45Å; L146-F152 HydrophobicContact CD1-CD2 4.47Å; L146-F152 HydrophobicContact CD1-CE1 4.03Å; L146-F152 HydrophobicContact CD1-CE2 3.26Å; L146-F152 HydrophobicContact CD1-CZ 3.02Å; L146-F152 HydrophobicContact CD2-CD1 3.76Å; L146-F152 HydrophobicContact CD2-CD2 3.88Å; L146-F152 HydrophobicContact CD2-CE1 3.18Å; L146-F152 HydrophobicContact CD2-CE2 3.35Å; L146-F152 HydrophobicContact CD2-CG 4.12Å; L146-F152 HydrophobicContact CD2-CZ 3.02Å; L146-F152 HydrophobicContact CG-CE1 4.14Å; L146-F152 HydrophobicContact CG-CE2 3.69Å; L146-F152 HydrophobicContact CG-CZ 3.51Å
147	S	46.3	Very low	66.1	Low	27 Å²	27	34 Å²	34	19%	0.189	17%	0.169	C	C	.	.	H	α-helix	trans	-75.4	-22.5	173.1	53.7	0	0	0	0	113	F143 T144 R145 V708	F143-S147 WeakPolarHBondContact O-CB 3.35Å; F143-S147 PolarHBondContact O-N 2.85Å; F143-S147 PolarHBondContact O-OG 2.84Å; T144-S147 PolarHBondContact O-OG 3.25Å; R145-S147 PolarHBondContact O-N 2.94Å; S147-V708 VanDerWaalsContact O-CG1 3.32Å; S147-V708 WeakPolarHBondContact O-CG1 3.46Å
148	K	47.8	Very low	66.4	Low	121 Å²	121	34.1 Å²	34.1	53%	0.526	17%	0.169	S	C	.	.	H	α-helix	trans	-90.1	-34.1	176	-68.7	-179.7	178.7	-175.3	0	112.3	T144 R145 L146	T144-K148 WeakPolarHBondContact O-CG 3.28Å; R145-K148 PolarHBondContact O-N 2.76Å; L146-K148 VanDerWaalsContact C-N 3.32Å
149	E	47.3	Very low	67.1	Low	25 Å²	25	31.5 Å²	31.5	12%	0.117	16%	0.159	C	C	.	.	S	Bend	trans	-101.5	94.5	-179.8	-70.8	-170.2	-111.6	0	0	111.5	R145 M151 F331 R555	R145-E149 IonicContact CZ-OE1 3.28Å; R145-E149 IonicContact NE-OE1 3.16Å; R145-E149 PolarHBondContact NE-OE1 3.33Å; R145-E149 IonicContact NH2-OE1 3.45Å; R145-E149 PolarHBondContact NH2-OE1 2.73Å; R145-E149 PolarHBondContact O-N 2.9Å; E149-M151 PolarHBondContact O-N 3.41Å; E149-F331 WeakPolarHBondContact OE1-CE2 3.27Å; E149-R555 IonicContact OE1-NH2 2.91Å; E149-R555 PolarHBondContact OE1-NH2 2.92Å; E149-R555 IonicContact OE2-CZ 3.72Å; E149-R555 VanDerWaalsContact OE2-CZ 3.24Å; E149-R555 IonicContact OE2-NE 3.12Å; E149-R555 PolarHBondContact OE2-NE 3.39Å; E149-R555 VanDerWaalsContact OE2-NE 3.15Å; E149-R555 IonicContact OE2-NH2 2.62Å; E149-R555 PolarHBondContact OE2-NH2 3.15Å
150	V	47.6	Very low	68.1	Low	95 Å²	95	31.9 Å²	31.9	58%	0.576	16%	0.161	S	C	*	.			trans	-18.5	-21.9	-179.5	172.6	0	0	0	0	121.3
151	M	51.6	Low	69.1	Low	31 Å²	31	31.9 Å²	31.9	15%	0.153	16%	0.16	C	C	.	.			trans	-167	143.2	-176.2	-103.7	163.6	-96.3	0	0	116.1	E149 L561 T563 P564	E149-M151 PolarHBondContact O-N 3.41Å; M151-L561 HydrophobicContact CB-CD2 4.16Å; M151-L561 HydrophobicContact SD-CB 3.91Å; M151-L561 HydrophobicContact SD-CD2 4.25Å; M151-T563 WeakPolarHBondContact CG-O 3.33Å; M151-T563 PolarHBondContact SD-N 2.89Å; M151-T563 VanDerWaalsContact SD-N 3.39Å; M151-P564 HydrophobicContact CE-CB 3.34Å; M151-P564 HydrophobicContact CE-CG 3.65Å
152	F	64	Low	70.3	Confident	19 Å²	19	30.6 Å²	30.6	8%	0.083	15%	0.154	C	C	.	.			trans	-96.3	138.9	162.7	-78.5	-77.2	0	0	0	111.8	L146 D156 V157 Y160 M248	L146-F152 HydrophobicContact CB-CE2 4.16Å; L146-F152 HydrophobicContact CB-CZ 4.45Å; L146-F152 HydrophobicContact CD1-CD2 4.47Å; L146-F152 HydrophobicContact CD1-CE1 4.03Å; L146-F152 HydrophobicContact CD1-CE2 3.26Å; L146-F152 HydrophobicContact CD1-CZ 3.02Å; L146-F152 HydrophobicContact CD2-CD1 3.76Å; L146-F152 HydrophobicContact CD2-CD2 3.88Å; L146-F152 HydrophobicContact CD2-CE1 3.18Å; L146-F152 HydrophobicContact CD2-CE2 3.35Å; L146-F152 HydrophobicContact CD2-CG 4.12Å; L146-F152 HydrophobicContact CD2-CZ 3.02Å; L146-F152 HydrophobicContact CG-CE1 4.14Å; L146-F152 HydrophobicContact CG-CE2 3.69Å; L146-F152 HydrophobicContact CG-CZ 3.51Å; F152-D156 HydrophobicContact CD1-CB 3.84Å; F152-V157 HydrophobicContact CB-CG2 3.76Å; F152-V157 HydrophobicContact CD1-CG2 4.31Å; F152-V157 HydrophobicContact CG-CG2 4.09Å; F152-Y160 AromaticContact CE1-CD2 3.86Å; F152-Y160 HydrophobicContact CE1-CD2 3.86Å; F152-Y160 AromaticContact CE1-CE2 3.89Å; F152-Y160 HydrophobicContact CE1-CE2 3.89Å; F152-M248 HydrophobicContact CD1-CE 4.25Å; F152-M248 HydrophobicContact CD2-CB 3.89Å; F152-M248 HydrophobicContact CD2-CG 4.32Å; F152-M248 VanDerWaalsContact CD2-O 3.32Å; F152-M248 WeakPolarHBondContact CD2-O 3.18Å; F152-M248 HydrophobicContact CE1-CE 3.47Å; F152-M248 VanDerWaalsContact CE1-CE 3.47Å; F152-M248 HydrophobicContact CE2-CB 3.7Å; F152-M248 HydrophobicContact CE2-CE 3.88Å; F152-M248 HydrophobicContact CE2-CG 3.61Å; F152-M248 HydrophobicContact CZ-CB 4.25Å; F152-M248 HydrophobicContact CZ-CE 3.16Å; F152-M248 HydrophobicContact CZ-CG 3.89Å; F152-M248 HydrophobicContact CZ-SD 4.29Å
153	T	73.7	Confident	71.8	Confident	24 Å²	24	30.2 Å²	30.2	15%	0.147	15%	0.151	C	C	.	.			trans	-83.4	159.4	164.9	73.7	0	0	0	0	111.2	E155 D156 V157	T153-E155 PolarHBondContact O-N 3.49Å; T153-E155 PolarHBondContact OG1-N 3.45Å; T153-D156 PolarHBondContact N-OD2 3.2Å; T153-D156 WeakPolarHBondContact O-CB 3.3Å; T153-D156 PolarHBondContact O-N 2.87Å; T153-D156 VanDerWaalsContact O-N 3.1Å; T153-D156 PolarHBondContact OG1-N 3.46Å; T153-D156 VanDerWaalsContact OG1-N 3.1Å; T153-D156 PolarHBondContact OG1-OD1 3.3Å; T153-D156 PolarHBondContact OG1-OD2 3.05Å; T153-V157 WeakPolarHBondContact O-CG2 3.31Å; T153-V157 PolarHBondContact O-N 2.95Å
154	E	80.9	Confident	73.5	Confident	33 Å²	33	29.1 Å²	29.1	15%	0.154	15%	0.147	C	C	.	.	H	α-helix	trans	-58.6	-31.5	172.6	-70	-162.9	-172.2	0	0	112.4	K158 L249 L278 S279 F313	E154-K158 WeakPolarHBondContact O-CB 3.35Å; E154-K158 PolarHBondContact O-N 3.25Å; E154-L249 HydrophobicContact CB-CD2 4.44Å; E154-L249 HydrophobicContact CG-CD2 3.77Å; E154-L278 WeakPolarHBondContact OE1-CA 3.45Å; E154-S279 PolarHBondContact OE1-N 3.5Å; E154-S279 PolarHBondContact OE1-OG 2.98Å; E154-S279 WeakPolarHBondContact OE2-CB 3.33Å; E154-S279 PolarHBondContact OE2-OG 3.5Å; E154-F313 HydrophobicContact CB-CE2 4.39Å
155	E	82.4	Confident	75.4	Confident	90 Å²	90	27.7 Å²	27.7	42%	0.421	14%	0.138	S	C	.	.	H	α-helix	trans	-67.6	-40.5	174.6	-66.5	-59	143.7	0	0	111.9	T153 K158 F159	T153-E155 PolarHBondContact O-N 3.49Å; T153-E155 PolarHBondContact OG1-N 3.45Å; E155-K158 WeakPolarHBondContact O-CB 3.45Å; E155-K158 PolarHBondContact O-N 3.34Å; E155-K158 IonicContact OE1-NZ 3.61Å; E155-K158 PolarHBondContact OE1-NZ 3.38Å; E155-K158 WeakPolarHBondContact OE2-CE 3.49Å; E155-K158 IonicContact OE2-NZ 3.48Å; E155-K158 PolarHBondContact OE2-NZ 2.9Å; E155-F159 PolarHBondContact O-N 2.93Å
156	D	84.3	Confident	77.4	Confident	18 Å²	18	26.5 Å²	26.5	10%	0.096	13%	0.134	C	C	.	.	H	α-helix	trans	-62.9	-47.3	175.7	-54.8	-18.9	0	0	0	110.4	F152 T153 K158 F159 Y160 P330 R555	F152-D156 HydrophobicContact CD1-CB 3.84Å; T153-D156 PolarHBondContact N-OD2 3.2Å; T153-D156 WeakPolarHBondContact O-CB 3.3Å; T153-D156 PolarHBondContact O-N 2.87Å; T153-D156 VanDerWaalsContact O-N 3.1Å; T153-D156 PolarHBondContact OG1-N 3.46Å; T153-D156 VanDerWaalsContact OG1-N 3.1Å; T153-D156 PolarHBondContact OG1-OD1 3.3Å; T153-D156 PolarHBondContact OG1-OD2 3.05Å; D156-K158 VanDerWaalsContact C-N 3.32Å; D156-K158 PolarHBondContact O-N 2.79Å; D156-F159 PolarHBondContact O-N 3.41Å; D156-Y160 HydrophobicContact CB-CE2 4.48Å; D156-Y160 WeakPolarHBondContact O-CD2 3.33Å; D156-Y160 PolarHBondContact O-N 3.14Å; D156-Y160 VanDerWaalsContact O-N 3.15Å; D156-P330 HydrophobicContact CB-CB 4.17Å; D156-P330 HydrophobicContact CB-CG 4.29Å; D156-P330 WeakPolarHBondContact OD1-CB 3.47Å; D156-R555 IonicContact OD2-NH1 2.71Å
157	V	87.5	Confident	79.5	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.5	-43.7	177.8	177.4	0	0	0	0	110.3	F152 T153 F159 Y160 L161 M245 M248 L249	F152-V157 HydrophobicContact CB-CG2 3.76Å; F152-V157 HydrophobicContact CD1-CG2 4.31Å; F152-V157 HydrophobicContact CG-CG2 4.09Å; T153-V157 WeakPolarHBondContact O-CG2 3.31Å; T153-V157 PolarHBondContact O-N 2.95Å; V157-F159 VanDerWaalsContact C-N 3.33Å; V157-F159 PolarHBondContact O-N 3.24Å; V157-Y160 PolarHBondContact O-N 2.75Å; V157-L161 HydrophobicContact CG1-CD1 3.5Å; V157-L161 VanDerWaalsContact CG1-CD1 3.5Å; V157-L161 HydrophobicContact CG1-CG 3.85Å; V157-L161 VanDerWaalsContact O-CB 3.28Å; V157-L161 WeakPolarHBondContact O-CB 3.43Å; V157-L161 WeakPolarHBondContact O-CG 3.34Å; V157-L161 PolarHBondContact O-N 3.16Å; V157-M245 HydrophobicContact CG1-CG 4.26Å; V157-M248 HydrophobicContact CB-CE 4.4Å; V157-M248 HydrophobicContact CG1-CB 4.24Å; V157-M248 HydrophobicContact CG1-CE 4.34Å; V157-M248 HydrophobicContact CG1-SD 4.39Å; V157-M248 HydrophobicContact CG2-CB 3.69Å; V157-M248 HydrophobicContact CG2-CE 4.11Å; V157-L249 HydrophobicContact CB-CD2 4.01Å; V157-L249 HydrophobicContact CB-CG 4.46Å; V157-L249 HydrophobicContact CG1-CD2 4.21Å; V157-L249 HydrophobicContact CG1-CG 4.14Å; V157-L249 HydrophobicContact CG2-CD2 3.69Å; V157-L249 HydrophobicContact CG2-CG 4.15Å
158	K	93.6	Very high	81.9	Confident	13 Å²	13	24.1 Å²	24.1	6%	0.057	12%	0.119	C	C	.	.	H	α-helix	trans	-56.8	-45.9	176.5	-175.3	-166.4	-52.6	178.2	0	112.1	E154 E155 D156 A162 F313 F314 T316 I317	E154-K158 WeakPolarHBondContact O-CB 3.35Å; E154-K158 PolarHBondContact O-N 3.25Å; E155-K158 WeakPolarHBondContact O-CB 3.45Å; E155-K158 PolarHBondContact O-N 3.34Å; E155-K158 IonicContact OE1-NZ 3.61Å; E155-K158 PolarHBondContact OE1-NZ 3.38Å; E155-K158 WeakPolarHBondContact OE2-CE 3.49Å; E155-K158 IonicContact OE2-NZ 3.48Å; E155-K158 PolarHBondContact OE2-NZ 2.9Å; D156-K158 VanDerWaalsContact C-N 3.32Å; D156-K158 PolarHBondContact O-N 2.79Å; K158-A162 WeakPolarHBondContact O-CB 3.5Å; K158-A162 PolarHBondContact O-N 3.46Å; K158-F313 HydrophobicContact CB-CD1 4.38Å; K158-F313 HydrophobicContact CB-CE1 3.65Å; K158-F313 HydrophobicContact CB-CZ 3.79Å; K158-F313 WeakPolarHBondContact CD-O 3.19Å; K158-F313 WeakPolarHBondContact CE-O 3.33Å; K158-F313 HydrophobicContact CG-CD1 4.14Å; K158-F313 HydrophobicContact CG-CE1 3.91Å; K158-F313 HydrophobicContact CG-CZ 4.39Å; K158-F313 WeakPolarHBondContact CG-O 3.11Å; K158-F314 HydrophobicContact CG-CD1 3.78Å; K158-F314 HydrophobicContact CG-CE1 4.24Å; K158-T316 WeakPolarHBondContact CD-OG1 3.14Å; K158-T316 PolarHBondContact NZ-OG1 2.84Å; K158-I317 HydrophobicContact CD-CD1 4.15Å; K158-I317 HydrophobicContact CD-CG1 3.94Å; K158-I317 HydrophobicContact CG-CD1 4.21Å; K158-I317 HydrophobicContact CG-CG1 3.93Å
159	F	93.3	Very high	84.1	Confident	14 Å²	14	19.9 Å²	19.9	6%	0.061	10%	0.102	C	C	.	.	H	α-helix	trans	-59	-55.5	177.8	-176.9	-85.1	0	0	0	111.5	E155 D156 V157 L161 A162 E163 H193 L322 L327 P329 P330	E155-F159 PolarHBondContact O-N 2.93Å; D156-F159 PolarHBondContact O-N 3.41Å; V157-F159 VanDerWaalsContact C-N 3.33Å; V157-F159 PolarHBondContact O-N 3.24Å; F159-L161 PolarHBondContact O-N 3.07Å; F159-A162 WeakPolarHBondContact O-CB 3.23Å; F159-A162 PolarHBondContact O-N 3.2Å; F159-A162 VanDerWaalsContact O-N 3.16Å; F159-E163 HydrophobicContact CD1-CG 4.46Å; F159-E163 HydrophobicContact CE1-CG 4.12Å; F159-E163 WeakPolarHBondContact CE1-OE1 3.15Å; F159-E163 WeakPolarHBondContact CZ-OE1 3.42Å; F159-E163 PolarHBondContact O-N 2.98Å; F159-E163 VanDerWaalsContact O-N 3.17Å; F159-H193 AromaticContact CZ-ND1 3.96Å; F159-L322 HydrophobicContact CD2-CD1 4.2Å; F159-L322 HydrophobicContact CE1-CD1 4.49Å; F159-L322 HydrophobicContact CE2-CD1 3.65Å; F159-L322 HydrophobicContact CZ-CD1 3.81Å; F159-L327 HydrophobicContact CE2-CB 3.91Å; F159-P329 HydrophobicContact CE1-CB 4.05Å; F159-P329 HydrophobicContact CE1-CG 4.32Å; F159-P329 HydrophobicContact CZ-CB 4.14Å; F159-P329 HydrophobicContact CZ-CG 4.09Å; F159-P330 HydrophobicContact CB-CG 3.75Å; F159-P330 HydrophobicContact CD1-CG 3.95Å; F159-P330 HydrophobicContact CD2-CG 4.47Å; F159-P330 HydrophobicContact CG-CG 3.81Å
160	Y	92.4	Very high	86.3	Confident	9 Å²	9	21 Å²	21	4%	0.035	11%	0.107	C	C	.	.	H	α-helix	trans	-68.1	-35.8	-176.5	-63.6	-53.1	0	0	0	113.2	F152 D156 V157 A162 E163 L164 L188 I194 M248 P330 F331	F152-Y160 AromaticContact CE1-CD2 3.86Å; F152-Y160 HydrophobicContact CE1-CD2 3.86Å; F152-Y160 AromaticContact CE1-CE2 3.89Å; F152-Y160 HydrophobicContact CE1-CE2 3.89Å; D156-Y160 HydrophobicContact CB-CE2 4.48Å; D156-Y160 WeakPolarHBondContact O-CD2 3.33Å; D156-Y160 PolarHBondContact O-N 3.14Å; D156-Y160 VanDerWaalsContact O-N 3.15Å; V157-Y160 PolarHBondContact O-N 2.75Å; Y160-A162 VanDerWaalsContact C-N 3.29Å; Y160-A162 PolarHBondContact O-N 3.3Å; Y160-E163 PolarHBondContact O-N 3.12Å; Y160-L164 WeakPolarHBondContact O-CB 3.3Å; Y160-L164 VanDerWaalsContact O-CG 3.26Å; Y160-L164 WeakPolarHBondContact O-CG 3.33Å; Y160-L164 PolarHBondContact O-N 2.92Å; Y160-L188 HydrophobicContact CE1-CD2 4.26Å; Y160-I194 HydrophobicContact CD1-CG2 3.47Å; Y160-I194 VanDerWaalsContact CD1-CG2 3.47Å; Y160-I194 HydrophobicContact CE1-CG2 4.02Å; Y160-I194 HydrophobicContact CG-CG2 4.22Å; Y160-M248 HydrophobicContact CD2-CE 3.98Å; Y160-M248 HydrophobicContact CG-CE 4.44Å; Y160-P330 HydrophobicContact CE2-CG 4.24Å; Y160-F331 WeakPolarHBondContact OH-CB 3.17Å; Y160-F331 PolarHBondContact OH-N 2.91Å
161	L	95.6	Very high	88.4	Confident	1 Å²	1	16.4 Å²	16.4	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-65.3	-33.5	173.7	-70.3	-179.6	0	0	0	112.2	V157 F159 L164 A165 L241 L244 M245 F313 F314	V157-L161 HydrophobicContact CG1-CD1 3.5Å; V157-L161 VanDerWaalsContact CG1-CD1 3.5Å; V157-L161 HydrophobicContact CG1-CG 3.85Å; V157-L161 VanDerWaalsContact O-CB 3.28Å; V157-L161 WeakPolarHBondContact O-CB 3.43Å; V157-L161 WeakPolarHBondContact O-CG 3.34Å; V157-L161 PolarHBondContact O-N 3.16Å; F159-L161 PolarHBondContact O-N 3.07Å; L161-L164 HydrophobicContact CD2-CD1 4.31Å; L161-L164 PolarHBondContact O-N 3.24Å; L161-A165 VanDerWaalsContact O-CB 3.3Å; L161-A165 WeakPolarHBondContact O-CB 3.2Å; L161-A165 PolarHBondContact O-N 2.98Å; L161-L241 HydrophobicContact CD2-CD1 3.54Å; L161-L241 HydrophobicContact CD2-CG 3.97Å; L161-L244 HydrophobicContact CD2-CD2 4.46Å; L161-M245 HydrophobicContact CD1-CB 3.58Å; L161-M245 HydrophobicContact CD1-CG 3.54Å; L161-M245 HydrophobicContact CD1-SD 3.86Å; L161-M245 HydrophobicContact CD2-CB 4.2Å; L161-F313 HydrophobicContact CD1-CE1 4.26Å; L161-F314 HydrophobicContact CB-CE1 3.98Å; L161-F314 HydrophobicContact CB-CZ 4.06Å
162	A	97.6	Very high	90.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-67.6	-41.5	175.8	0	0	0	0	0	111.7	K158 F159 Y160 A165 L166 F314 I317 W319 L322	K158-A162 WeakPolarHBondContact O-CB 3.5Å; K158-A162 PolarHBondContact O-N 3.46Å; F159-A162 WeakPolarHBondContact O-CB 3.23Å; F159-A162 PolarHBondContact O-N 3.2Å; F159-A162 VanDerWaalsContact O-N 3.16Å; Y160-A162 VanDerWaalsContact C-N 3.29Å; Y160-A162 PolarHBondContact O-N 3.3Å; A162-A165 PolarHBondContact O-N 2.63Å; A162-L166 PolarHBondContact O-N 3.01Å; A162-L166 VanDerWaalsContact O-N 3.11Å; A162-F314 HydrophobicContact CB-CD1 4.09Å; A162-F314 HydrophobicContact CB-CE1 4.12Å; A162-I317 HydrophobicContact CB-CG1 4.36Å; A162-I317 HydrophobicContact CB-CG2 4.07Å; A162-W319 HydrophobicContact CB-CE3 4.41Å; A162-W319 HydrophobicContact CB-CH2 3.68Å; A162-W319 HydrophobicContact CB-CZ2 4.41Å; A162-W319 HydrophobicContact CB-CZ3 3.69Å; A162-W319 WeakPolarHBondContact O-CZ3 3.27Å; A162-L322 HydrophobicContact CB-CD2 3.4Å; A162-L322 VanDerWaalsContact CB-CD2 3.4Å
163	E	97.2	Very high	91.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.7	-43.4	174	-63.9	-169	143.8	0	0	111.9	F116 F159 Y160 L166 A167 H193 I194 L322	F116-E163 HydrophobicContact CD1-CB 4.18Å; F116-E163 HydrophobicContact CD1-CG 4.28Å; F116-E163 HydrophobicContact CD2-CB 3.96Å; F116-E163 HydrophobicContact CD2-CG 4.38Å; F116-E163 HydrophobicContact CE1-CB 4.28Å; F116-E163 HydrophobicContact CE1-CG 3.89Å; F116-E163 WeakPolarHBondContact CE1-OE1 3.33Å; F116-E163 HydrophobicContact CE2-CB 4.1Å; F116-E163 HydrophobicContact CE2-CG 4.04Å; F116-E163 HydrophobicContact CG-CB 4.03Å; F116-E163 HydrophobicContact CZ-CB 4.24Å; F116-E163 HydrophobicContact CZ-CG 3.77Å; F159-E163 HydrophobicContact CD1-CG 4.46Å; F159-E163 HydrophobicContact CE1-CG 4.12Å; F159-E163 WeakPolarHBondContact CE1-OE1 3.15Å; F159-E163 WeakPolarHBondContact CZ-OE1 3.42Å; F159-E163 PolarHBondContact O-N 2.98Å; F159-E163 VanDerWaalsContact O-N 3.17Å; Y160-E163 PolarHBondContact O-N 3.12Å; E163-L166 PolarHBondContact O-N 2.98Å; E163-A167 PolarHBondContact O-N 3.4Å; E163-H193 IonicContact OE1-CE1 2.69Å; E163-H193 IonicContact OE1-CG 3.16Å; E163-H193 IonicContact OE1-ND1 3.8Å; E163-H193 PolarHBondContact OE1-ND1 3.07Å; E163-I194 HydrophobicContact CB-CD1 3.89Å; E163-I194 HydrophobicContact CB-CG1 3.45Å; E163-I194 VanDerWaalsContact CB-CG1 3.45Å; E163-I194 HydrophobicContact CG-CG1 4.31Å; E163-I194 WeakPolarHBondContact OE2-CG1 3.43Å; E163-I194 PolarHBondContact OE2-N 2.89Å; E163-L322 HydrophobicContact CG-CD1 3.8Å; E163-L322 HydrophobicContact CG-CD2 4.12Å; E163-L322 HydrophobicContact CG-CG 4.12Å
164	L	96.6	Very high	92.1	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	11%	0.113	C	C	.	.	H	α-helix	trans	-62.8	-41.3	175.9	-73.7	168	0	0	0	112	Y160 L161 L166 A167 L168 L181 I186 I194 L196 L241 L244	Y160-L164 WeakPolarHBondContact O-CB 3.3Å; Y160-L164 VanDerWaalsContact O-CG 3.26Å; Y160-L164 WeakPolarHBondContact O-CG 3.33Å; Y160-L164 PolarHBondContact O-N 2.92Å; L161-L164 HydrophobicContact CD2-CD1 4.31Å; L161-L164 PolarHBondContact O-N 3.24Å; L164-L166 VanDerWaalsContact C-N 3.32Å; L164-L166 PolarHBondContact O-N 3.48Å; L164-A167 PolarHBondContact O-N 3.38Å; L164-L168 WeakPolarHBondContact O-CB 3.36Å; L164-L168 WeakPolarHBondContact O-CG 3.29Å; L164-L168 PolarHBondContact O-N 3.32Å; L164-L181 HydrophobicContact CD2-CD1 4.02Å; L164-I186 HydrophobicContact CD1-CD1 4Å; L164-I186 HydrophobicContact CD2-CD1 4.03Å; L164-I186 HydrophobicContact CD2-CG1 4.19Å; L164-I186 HydrophobicContact CD2-CG2 4.33Å; L164-I194 HydrophobicContact CD2-CD1 3.47Å; L164-I194 VanDerWaalsContact CD2-CD1 3.47Å; L164-I194 HydrophobicContact CG-CD1 3.67Å; L164-I194 HydrophobicContact CG-CG1 4.39Å; L164-L196 HydrophobicContact CD2-CD1 4.42Å; L164-L196 HydrophobicContact CD2-CD2 3.54Å; L164-L196 HydrophobicContact CD2-CG 4.02Å; L164-L241 HydrophobicContact CB-CD1 3.86Å; L164-L241 HydrophobicContact CD1-CD1 4.15Å; L164-L244 HydrophobicContact CD1-CD2 3.4Å; L164-L244 VanDerWaalsContact CD1-CD2 3.4Å
165	A	97.3	Very high	92.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.3	-39.8	177.4	0	0	0	0	0	111.8	L161 A162 D169 W238 V305 I308 W319	L161-A165 VanDerWaalsContact O-CB 3.3Å; L161-A165 WeakPolarHBondContact O-CB 3.2Å; L161-A165 PolarHBondContact O-N 2.98Å; A162-A165 PolarHBondContact O-N 2.63Å; A165-D169 VanDerWaalsContact O-CB 3.3Å; A165-D169 WeakPolarHBondContact O-CB 3.45Å; A165-D169 PolarHBondContact O-N 3.05Å; A165-W238 HydrophobicContact CB-CZ3 4.24Å; A165-V305 HydrophobicContact CB-CG2 4.21Å; A165-I308 HydrophobicContact CB-CG2 4.43Å; A165-W319 HydrophobicContact CB-CH2 4.37Å; A165-W319 HydrophobicContact CB-CZ3 4.25Å
166	L	97.5	Very high	92.5	Very high	11 Å²	11	18.1 Å²	18.1	6%	0.058	10%	0.098	C	C	.	.	H	α-helix	trans	-65	-42.3	173.8	-70.8	173	0	0	0	112.1	H114 F116 A162 E163 L164 D169 H170 W319 L322 F323	H114-L166 PolarHBondContact NE2-O 3.17Å; F116-L166 HydrophobicContact CD2-CB 4.16Å; F116-L166 HydrophobicContact CD2-CD1 4.39Å; F116-L166 HydrophobicContact CE2-CB 4.41Å; F116-L166 HydrophobicContact CE2-CD1 3.82Å; A162-L166 PolarHBondContact O-N 3.01Å; A162-L166 VanDerWaalsContact O-N 3.11Å; E163-L166 PolarHBondContact O-N 2.98Å; L164-L166 VanDerWaalsContact C-N 3.32Å; L164-L166 PolarHBondContact O-N 3.48Å; L166-D169 PolarHBondContact O-N 3.26Å; L166-H170 PolarHBondContact O-N 2.96Å; L166-H170 VanDerWaalsContact O-N 3.1Å; L166-W319 HydrophobicContact CD1-CE3 4.19Å; L166-W319 HydrophobicContact CD2-CE3 3.96Å; L166-W319 HydrophobicContact CD2-CZ3 4.46Å; L166-W319 HydrophobicContact CG-CE3 3.92Å; L166-W319 HydrophobicContact CG-CZ3 4.13Å; L166-L322 HydrophobicContact CD1-CB 4.43Å; L166-L322 HydrophobicContact CD1-CD2 3.95Å; L166-L322 HydrophobicContact CD1-CG 4.19Å; L166-F323 HydrophobicContact CD1-CB 4.15Å
167	A	96.1	Very high	92.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.9	-44.6	176.9	0	0	0	0	0	112.1	F116 I117 E163 L164 H170 L171 L196	F116-A167 HydrophobicContact CB-CB 4.04Å; I117-A167 HydrophobicContact CD1-CB 4.3Å; I117-A167 HydrophobicContact CG1-CB 3.96Å; E163-A167 PolarHBondContact O-N 3.4Å; L164-A167 PolarHBondContact O-N 3.38Å; A167-H170 PolarHBondContact O-N 2.83Å; A167-L171 WeakPolarHBondContact O-CG 3.29Å; A167-L171 PolarHBondContact O-N 3.34Å; A167-L196 HydrophobicContact CB-CD1 3.68Å; A167-L196 HydrophobicContact CB-CG 4.28Å
168	L	95.1	Very high	92.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.4	-42.6	177.5	-70.5	173.9	0	0	0	112	L164 H170 L171 H172 Y178 L181 L196 D237 W238 L241	L164-L168 WeakPolarHBondContact O-CB 3.36Å; L164-L168 WeakPolarHBondContact O-CG 3.29Å; L164-L168 PolarHBondContact O-N 3.32Å; L168-H170 VanDerWaalsContact C-N 3.32Å; L168-H170 PolarHBondContact O-N 3.5Å; L168-L171 PolarHBondContact O-N 2.93Å; L168-L171 VanDerWaalsContact O-N 3.17Å; L168-H172 WeakPolarHBondContact O-CB 3.43Å; L168-H172 PolarHBondContact O-CD2 3.05Å; L168-H172 PolarHBondContact O-N 2.79Å; L168-Y178 HydrophobicContact CD2-CD1 4.48Å; L168-L181 HydrophobicContact CD1-CD2 4.15Å; L168-L196 HydrophobicContact CD2-CD1 4.47Å; L168-D237 HydrophobicContact CD1-CB 4.28Å; L168-D237 HydrophobicContact CD2-CB 3.97Å; L168-W238 HydrophobicContact CB-CH2 3.85Å; L168-W238 HydrophobicContact CB-CZ3 4.03Å; L168-W238 HydrophobicContact CD1-CE3 4.01Å; L168-W238 HydrophobicContact CD1-CH2 4.34Å; L168-W238 HydrophobicContact CD1-CZ3 3.67Å; L168-L241 HydrophobicContact CD1-CD1 4.42Å
169	D	94.9	Very high	92.4	Very high	32 Å²	32	18.3 Å²	18.3	17%	0.171	10%	0.098	C	C	.	.	H	α-helix	trans	-57	-45.5	175.8	179.6	43.9	0	0	0	111.9	A165 L166 L171 H172 N173 V305 K309	A165-D169 VanDerWaalsContact O-CB 3.3Å; A165-D169 WeakPolarHBondContact O-CB 3.45Å; A165-D169 PolarHBondContact O-N 3.05Å; L166-D169 PolarHBondContact O-N 3.26Å; D169-L171 VanDerWaalsContact C-N 3.34Å; D169-L171 PolarHBondContact O-N 3.16Å; D169-H172 PolarHBondContact O-N 3.06Å; D169-N173 WeakPolarHBondContact O-CB 3.5Å; D169-N173 VanDerWaalsContact O-CG 3.28Å; D169-N173 PolarHBondContact O-N 2.79Å; D169-N173 PolarHBondContact O-ND2 2.89Å; D169-N173 PolarHBondContact OD1-ND2 2.84Å; D169-V305 HydrophobicContact CB-CB 3.84Å; D169-V305 HydrophobicContact CB-CG1 3.73Å; D169-V305 HydrophobicContact CB-CG2 4.01Å; D169-V305 VanDerWaalsContact OD1-CG1 3.24Å; D169-V305 WeakPolarHBondContact OD1-CG1 3.49Å; D169-V305 WeakPolarHBondContact OD2-CG1 3.33Å; D169-K309 IonicContact OD2-NZ 2.68Å
170	H	93.6	Very high	91.9	Very high	48 Å²	48	18 Å²	18	22%	0.222	10%	0.097	C	C	.	.	H	α-helix	trans	-58.6	-44.6	176.2	-178	71.9	0	0	0	112.3	H114 L166 A167 L168 N173 L174	H114-H170 HydrophobicContact CB-CB 4.49Å; H114-H170 AromaticContact CD2-CG 3.69Å; L166-H170 PolarHBondContact O-N 2.96Å; L166-H170 VanDerWaalsContact O-N 3.1Å; A167-H170 PolarHBondContact O-N 2.83Å; L168-H170 VanDerWaalsContact C-N 3.32Å; L168-H170 PolarHBondContact O-N 3.5Å; H170-N173 PolarHBondContact O-N 2.9Å; H170-L174 WeakPolarHBondContact O-CG 3.29Å; H170-L174 PolarHBondContact O-N 3.27Å
171	L	91.2	Very high	91.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.7	-44	176.8	-65.7	172	0	0	0	112	V112 I117 A167 L168 D169 N173 L174 G175 I176 Y178 F199	V112-L171 HydrophobicContact CG1-CD2 4.35Å; V112-L171 HydrophobicContact CG2-CD2 3.64Å; I117-L171 HydrophobicContact CD1-CD1 4.22Å; I117-L171 HydrophobicContact CD1-CD2 3.92Å; I117-L171 HydrophobicContact CD1-CG 3.85Å; A167-L171 WeakPolarHBondContact O-CG 3.29Å; A167-L171 PolarHBondContact O-N 3.34Å; L168-L171 PolarHBondContact O-N 2.93Å; L168-L171 VanDerWaalsContact O-N 3.17Å; D169-L171 VanDerWaalsContact C-N 3.34Å; D169-L171 PolarHBondContact O-N 3.16Å; L171-N173 VanDerWaalsContact C-N 3.31Å; L171-N173 PolarHBondContact O-N 2.89Å; L171-L174 CarbonylContact O-C 3.59Å; L171-L174 WeakPolarHBondContact O-CA 3.38Å; L171-L174 PolarHBondContact O-N 3.48Å; L171-L174 VanDerWaalsContact O-N 3.1Å; L171-G175 PolarHBondContact O-N 3.06Å; L171-I176 CarbonylContact C-O 3.34Å; L171-I176 HydrophobicContact CB-CB 4.32Å; L171-I176 HydrophobicContact CD2-CD1 4.47Å; L171-I176 HydrophobicContact CD2-CG2 4.33Å; L171-I176 WeakPolarHBondContact O-CB 3.13Å; L171-I176 PolarHBondContact O-N 3.32Å; L171-Y178 HydrophobicContact CD1-CD2 4.2Å; L171-Y178 HydrophobicContact CD1-CG 4.41Å; L171-F199 HydrophobicContact CD1-CE1 3.79Å; L171-F199 HydrophobicContact CD1-CZ 4.47Å; L171-F199 HydrophobicContact CD2-CE1 3.78Å; L171-F199 HydrophobicContact CG-CE1 4.44Å
172	H	90.9	Very high	91.3	Very high	14 Å²	14	19 Å²	19	7%	0.065	10%	0.101	C	C	.	.	H	α-helix	trans	-64.3	-37	-179.8	-65.6	174.9	0	0	0	111.7	L168 D169 L174 G175 I176 Q234 D237 W238	L168-H172 WeakPolarHBondContact O-CB 3.43Å; L168-H172 PolarHBondContact O-CD2 3.05Å; L168-H172 PolarHBondContact O-N 2.79Å; D169-H172 PolarHBondContact O-N 3.06Å; H172-L174 VanDerWaalsContact C-N 3.26Å; H172-L174 PolarHBondContact O-N 3.17Å; H172-G175 WeakPolarHBondContact O-CA 3.36Å; H172-G175 PolarHBondContact O-N 3.26Å; H172-I176 PolarHBondContact CD2-O 2.79Å; H172-Q234 HydrophobicContact CB-CB 4.37Å; H172-Q234 PolarHBondContact CE1-O 2.81Å; H172-D237 IonicContact CD2-OD2 3.63Å; H172-D237 IonicContact CE1-OD2 3.39Å; H172-D237 IonicContact NE2-OD2 2.88Å; H172-D237 PolarHBondContact NE2-OD2 3.05Å; H172-W238 AromaticContact CE1-CE2 3.86Å; H172-W238 AromaticContact CE1-CZ2 3.85Å; H172-W238 AromaticContact ND1-CE2 3.94Å; H172-W238 AromaticContact ND1-CZ2 3.67Å
173	N	89.5	Confident	90.5	Very high	119 Å²	119	19.1 Å²	19.1	64%	0.636	10%	0.102	S	C	*	.	H	α-helix	trans	-66.1	-27.3	174.2	-73.7	-41.4	0	0	0	113.2	D169 H170 L171 G175	D169-N173 WeakPolarHBondContact O-CB 3.5Å; D169-N173 VanDerWaalsContact O-CG 3.28Å; D169-N173 PolarHBondContact O-N 2.79Å; D169-N173 PolarHBondContact O-ND2 2.89Å; D169-N173 PolarHBondContact OD1-ND2 2.84Å; H170-N173 PolarHBondContact O-N 2.9Å; L171-N173 VanDerWaalsContact C-N 3.31Å; L171-N173 PolarHBondContact O-N 2.89Å; N173-G175 VanDerWaalsContact C-N 3.26Å
174	L	87.2	Confident	89.6	Confident	74 Å²	74	21.7 Å²	21.7	39%	0.387	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	1.3	169.9	-64.1	173.9	0	0	0	112.8	V112 H170 L171 H172 I176	V112-L174 HydrophobicContact CG2-CD1 3.87Å; H170-L174 WeakPolarHBondContact O-CG 3.29Å; H170-L174 PolarHBondContact O-N 3.27Å; L171-L174 CarbonylContact O-C 3.59Å; L171-L174 WeakPolarHBondContact O-CA 3.38Å; L171-L174 PolarHBondContact O-N 3.48Å; L171-L174 VanDerWaalsContact O-N 3.1Å; H172-L174 VanDerWaalsContact C-N 3.26Å; H172-L174 PolarHBondContact O-N 3.17Å; L174-I176 VanDerWaalsContact C-N 3.29Å; L174-I176 HydrophobicContact CB-CD1 3.87Å; L174-I176 HydrophobicContact CB-CG1 4.2Å; L174-I176 HydrophobicContact CD1-CD1 4.34Å; L174-I176 PolarHBondContact O-N 2.88Å
175	G	84.9	Confident	89.1	Confident	24 Å²	24	22.1 Å²	22.1	25%	0.247	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	16.6	-178.5	0	0	0	0	0	114.2	L171 H172 N173 S205	L171-G175 PolarHBondContact O-N 3.06Å; H172-G175 WeakPolarHBondContact O-CA 3.36Å; H172-G175 PolarHBondContact O-N 3.26Å; N173-G175 VanDerWaalsContact C-N 3.26Å; G175-S205 PolarHBondContact O-N 3.19Å; G175-S205 PolarHBondContact O-OG 3.44Å
176	I	86.1	Confident	88.7	Confident	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	127.7	-177.9	-60.2	165	0	0	0	109.3	I108 V112 L171 H172 L174 E204	I108-I176 HydrophobicContact CB-CD1 4.49Å; I108-I176 HydrophobicContact CD1-CG2 4.08Å; I108-I176 HydrophobicContact CG1-CD1 4.11Å; I108-I176 HydrophobicContact CG2-CD1 3.97Å; V112-I176 HydrophobicContact CG2-CD1 4.26Å; L171-I176 CarbonylContact C-O 3.34Å; L171-I176 HydrophobicContact CB-CB 4.32Å; L171-I176 HydrophobicContact CD2-CD1 4.47Å; L171-I176 HydrophobicContact CD2-CG2 4.33Å; L171-I176 WeakPolarHBondContact O-CB 3.13Å; L171-I176 PolarHBondContact O-N 3.32Å; H172-I176 PolarHBondContact CD2-O 2.79Å; L174-I176 VanDerWaalsContact C-N 3.29Å; L174-I176 HydrophobicContact CB-CD1 3.87Å; L174-I176 HydrophobicContact CB-CG1 4.2Å; L174-I176 HydrophobicContact CD1-CD1 4.34Å; L174-I176 PolarHBondContact O-N 2.88Å; I176-E204 HydrophobicContact CG1-CG 4.17Å
177	V	87.6	Confident	88.3	Confident	7 Å²	7	23.4 Å²	23.4	4%	0.042	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	130.1	170.5	-168	0	0	0	0	108.8	R179 S202 K203 D237	V177-R179 HydrophobicContact CB-CG 3.98Å; V177-R179 HydrophobicContact CG1-CG 3.51Å; V177-S202 WeakPolarHBondContact O-CA 3.49Å; V177-K203 PolarHBondContact N-O 3.38Å; V177-K203 PolarHBondContact O-N 2.78Å; V177-D237 WeakPolarHBondContact CG1-OD2 3.42Å
178	Y	89.1	Confident	87.9	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.124	C	C	.	.			trans	-79	-46.6	-171.6	-179.3	-114	0	0	0	113.1	L168 L171 D180 L181 N185 L196 T197 F199 S202 D237	L168-Y178 HydrophobicContact CD2-CD1 4.48Å; L171-Y178 HydrophobicContact CD1-CD2 4.2Å; L171-Y178 HydrophobicContact CD1-CG 4.41Å; Y178-D180 VanDerWaalsContact CE1-O 3.31Å; Y178-D180 WeakPolarHBondContact CE1-O 3.39Å; Y178-D180 PolarHBondContact O-N 3.13Å; Y178-L181 HydrophobicContact CD1-CB 3.94Å; Y178-L181 HydrophobicContact CD1-CD1 4.41Å; Y178-L181 HydrophobicContact CE1-CB 4.01Å; Y178-L181 HydrophobicContact CE1-CD1 4.1Å; Y178-N185 VanDerWaalsContact OH-CB 3.3Å; Y178-N185 WeakPolarHBondContact OH-CB 3.23Å; Y178-L196 HydrophobicContact CE1-CD2 4.33Å; Y178-T197 PolarHBondContact OH-O 2.66Å; Y178-F199 HydrophobicContact CD2-CD1 4.03Å; Y178-F199 AromaticContact CD2-CE1 3.87Å; Y178-F199 HydrophobicContact CD2-CE1 3.87Å; Y178-F199 HydrophobicContact CD2-CZ 4.45Å; Y178-F199 HydrophobicContact CE2-CD1 4.14Å; Y178-F199 AromaticContact CE2-CE1 4Å; Y178-F199 HydrophobicContact CE2-CE1 4Å; Y178-F199 HydrophobicContact CE2-CG 4.45Å; Y178-F199 HydrophobicContact CE2-CZ 4.19Å; Y178-S202 PolarHBondContact O-OG 3.12Å; Y178-D237 PolarHBondContact N-OD2 3.45Å
179	R	86	Confident	87.5	Confident	29 Å²	29	24.2 Å²	24.2	11%	0.109	13%	0.127	C	C	.	.			trans	66.1	-3	168.5	-49.6	-171.3	-63.8	172.3	3.1	118.1	V177 L201 C216 H232 D237	V177-R179 HydrophobicContact CB-CG 3.98Å; V177-R179 HydrophobicContact CG1-CG 3.51Å; R179-L201 PolarHBondContact NE-O 3.03Å; R179-L201 PolarHBondContact NH2-O 3.42Å; R179-C216 VanDerWaalsContact CZ-SG 3.57Å; R179-H232 WeakPolarHBondContact CD-NE2 3.39Å; R179-H232 PolarHBondContact NH1-NE2 3.21Å; R179-D237 WeakPolarHBondContact CA-OD1 3.13Å; R179-D237 PolarHBondContact N-OD1 2.96Å
180	D	84.8	Confident	86.9	Confident	8 Å²	8	28.5 Å²	28.5	4%	0.043	15%	0.146	C	C	.	.			trans	-134.1	43.9	178.2	-158.6	37.9	0	0	0	111.7	Y178 K182 N185 L201	Y178-D180 VanDerWaalsContact CE1-O 3.31Å; Y178-D180 WeakPolarHBondContact CE1-O 3.39Å; Y178-D180 PolarHBondContact O-N 3.13Å; D180-K182 VanDerWaalsContact CG-NZ 3.3Å; D180-K182 PolarHBondContact O-N 2.94Å; D180-K182 IonicContact OD1-NZ 2.65Å; D180-K182 PolarHBondContact OD1-NZ 3Å; D180-K182 VanDerWaalsContact OD1-NZ 3.16Å; D180-K182 IonicContact OD2-NZ 2.79Å; D180-K182 PolarHBondContact OD2-NZ 3.04Å; D180-N185 PolarHBondContact O-ND2 2.63Å; D180-N185 PolarHBondContact OD2-ND2 2.92Å; D180-L201 HydrophobicContact CB-CB 4.15Å; D180-L201 HydrophobicContact CB-CD1 4Å
181	L	89.6	Confident	86.4	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.005	15%	0.148	C	C	.	.			trans	-74.4	109.4	174	-170.5	70	0	0	0	110.6	L164 L168 Y178 I186 L196 Y221 L241 L244	L164-L181 HydrophobicContact CD2-CD1 4.02Å; L168-L181 HydrophobicContact CD1-CD2 4.15Å; Y178-L181 HydrophobicContact CD1-CB 3.94Å; Y178-L181 HydrophobicContact CD1-CD1 4.41Å; Y178-L181 HydrophobicContact CE1-CB 4.01Å; Y178-L181 HydrophobicContact CE1-CD1 4.1Å; L181-I186 HydrophobicContact CD1-CD1 4.19Å; L181-I186 HydrophobicContact CD1-CG1 4.43Å; L181-L196 HydrophobicContact CD1-CD2 3.75Å; L181-Y221 WeakPolarHBondContact O-CD1 3.31Å; L181-L241 HydrophobicContact CD2-CB 4.01Å; L181-L241 HydrophobicContact CD2-CD1 3.98Å; L181-L244 HydrophobicContact CG-CD2 4.46Å
182	K	85	Confident	86.1	Confident	28 Å²	28	27.7 Å²	27.7	12%	0.122	15%	0.148	C	C	.	.	S	Bend	trans	-155	158.8	179.4	65.3	-172.7	-174.2	-140.4	0	109.8	D180 E184 N185 T218 Y221	D180-K182 VanDerWaalsContact CG-NZ 3.3Å; D180-K182 PolarHBondContact O-N 2.94Å; D180-K182 IonicContact OD1-NZ 2.65Å; D180-K182 PolarHBondContact OD1-NZ 3Å; D180-K182 VanDerWaalsContact OD1-NZ 3.16Å; D180-K182 IonicContact OD2-NZ 2.79Å; D180-K182 PolarHBondContact OD2-NZ 3.04Å; K182-E184 WeakPolarHBondContact CB-OE2 3.18Å; K182-E184 WeakPolarHBondContact CD-OE2 3.23Å; K182-E184 HydrophobicContact CG-CB 4.4Å; K182-E184 WeakPolarHBondContact CG-OE2 3.42Å; K182-E184 PolarHBondContact O-N 3.29Å; K182-E184 VanDerWaalsContact O-N 3.15Å; K182-N185 WeakPolarHBondContact CE-ND2 3.41Å; K182-N185 WeakPolarHBondContact CE-OD1 3.36Å; K182-N185 HydrophobicContact CG-CB 4.32Å; K182-N185 PolarHBondContact O-N 2.93Å; K182-N185 VanDerWaalsContact O-N 3.09Å; K182-T218 WeakPolarHBondContact CD-OG1 3.5Å; K182-Y221 HydrophobicContact CB-CD1 4.37Å; K182-Y221 HydrophobicContact CB-CD2 4.08Å; K182-Y221 HydrophobicContact CB-CE1 4.33Å; K182-Y221 HydrophobicContact CB-CE2 4.01Å; K182-Y221 HydrophobicContact CB-CG 4.27Å
183	P	80.3	Confident	86.1	Confident	4 Å²	4	27.3 Å²	27.3	3%	0.026	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-56	-33.5	-176.8	-24.1	31.9	0	0	0	114.4	F143 N185 I186 Y221 L244 E247	F143-P183 HydrophobicContact CB-CB 3.74Å; F143-P183 HydrophobicContact CD2-CB 3.37Å; F143-P183 HydrophobicContact CD2-CG 3.79Å; F143-P183 HydrophobicContact CE2-CB 4.02Å; F143-P183 HydrophobicContact CE2-CG 3.94Å; F143-P183 HydrophobicContact CG-CB 3.78Å; P183-N185 PolarHBondContact O-N 3.38Å; P183-I186 PolarHBondContact O-N 2.74Å; P183-Y221 VanDerWaalsContact CD-CZ 3.49Å; P183-Y221 WeakPolarHBondContact CD-OH 3.41Å; P183-L244 HydrophobicContact CB-CD1 4.46Å; P183-L244 HydrophobicContact CG-CD1 3.7Å; P183-E247 WeakPolarHBondContact CG-OE2 3.5Å
184	E	78.1	Confident	86.2	Confident	54 Å²	54	21.8 Å²	21.8	25%	0.252	12%	0.117	S	C	.	.	G	3₁₀ helix	trans	-66.2	-21.4	-178.3	-56.9	95.6	148	0	0	113.5	K182 K720	K182-E184 WeakPolarHBondContact CB-OE2 3.18Å; K182-E184 WeakPolarHBondContact CD-OE2 3.23Å; K182-E184 HydrophobicContact CG-CB 4.4Å; K182-E184 WeakPolarHBondContact CG-OE2 3.42Å; K182-E184 PolarHBondContact O-N 3.29Å; K182-E184 VanDerWaalsContact O-N 3.15Å; E184-K720 IonicContact OE1-NZ 3.91Å; E184-K720 PolarHBondContact OE1-NZ 2.99Å
185	N	86.9	Confident	86.5	Confident	10 Å²	10	19.5 Å²	19.5	5%	0.053	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-101.2	10.4	-178.8	-65.8	-8	0	0	0	113.1	Y178 D180 K182 P183 T197	Y178-N185 VanDerWaalsContact OH-CB 3.3Å; Y178-N185 WeakPolarHBondContact OH-CB 3.23Å; D180-N185 PolarHBondContact O-ND2 2.63Å; D180-N185 PolarHBondContact OD2-ND2 2.92Å; K182-N185 WeakPolarHBondContact CE-ND2 3.41Å; K182-N185 WeakPolarHBondContact CE-OD1 3.36Å; K182-N185 HydrophobicContact CG-CB 4.32Å; K182-N185 PolarHBondContact O-N 2.93Å; K182-N185 VanDerWaalsContact O-N 3.09Å; P183-N185 PolarHBondContact O-N 3.38Å; N185-T197 WeakPolarHBondContact O-CG2 3.5Å; N185-T197 PolarHBondContact O-N 2.99Å; N185-T197 VanDerWaalsContact O-N 3.08Å
186	I	89.2	Confident	86.9	Confident	5 Å²	5	18.4 Å²	18.4	3%	0.026	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	110.7	179	-51.8	167.3	0	0	0	107.3	V142 L164 L181 P183 I194 L196 L244	V142-I186 HydrophobicContact CB-CB 4.41Å; V142-I186 HydrophobicContact CB-CG2 4.36Å; V142-I186 WeakPolarHBondContact CB-O 3.25Å; V142-I186 HydrophobicContact CG2-CB 4.17Å; V142-I186 HydrophobicContact CG2-CG2 3.66Å; V142-I186 WeakPolarHBondContact CG2-O 3.42Å; V142-I186 PolarHBondContact N-O 2.96Å; L164-I186 HydrophobicContact CD1-CD1 4Å; L164-I186 HydrophobicContact CD2-CD1 4.03Å; L164-I186 HydrophobicContact CD2-CG1 4.19Å; L164-I186 HydrophobicContact CD2-CG2 4.33Å; L181-I186 HydrophobicContact CD1-CD1 4.19Å; L181-I186 HydrophobicContact CD1-CG1 4.43Å; P183-I186 PolarHBondContact O-N 2.74Å; I186-I194 HydrophobicContact CG2-CB 3.72Å; I186-I194 HydrophobicContact CG2-CD1 4.39Å; I186-I194 HydrophobicContact CG2-CG2 3.79Å; I186-L196 HydrophobicContact CG1-CD2 3.95Å; I186-L244 HydrophobicContact CD1-CD1 4.16Å; I186-L244 HydrophobicContact CD1-CD2 3.45Å; I186-L244 VanDerWaalsContact CD1-CD2 3.45Å; I186-L244 HydrophobicContact CD1-CG 4.47Å
187	L	88.4	Confident	87	Confident	33 Å²	33	19.4 Å²	19.4	17%	0.173	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	157.2	-178.3	-56.9	-172.8	0	0	0	110.9	L137 G140 D141 I194 K195 T197	L137-L187 HydrophobicContact CB-CB 4.05Å; L137-L187 HydrophobicContact CB-CD1 4.3Å; L137-L187 HydrophobicContact CD1-CB 3.58Å; L137-L187 HydrophobicContact CD1-CD1 3.98Å; L137-L187 HydrophobicContact CD1-CG 4.34Å; L137-L187 HydrophobicContact CG-CB 4.47Å; G140-L187 CarbonylContact O-C 3.35Å; G140-L187 VanDerWaalsContact O-CA 3.28Å; G140-L187 WeakPolarHBondContact O-CA 3.49Å; D141-L187 VanDerWaalsContact CA-CD2 3.47Å; D141-L187 HydrophobicContact CB-CD2 3.64Å; L187-I194 CarbonylContact O-C 3.21Å; L187-I194 VanDerWaalsContact O-CA 3.3Å; L187-I194 WeakPolarHBondContact O-CA 3.29Å; L187-K195 PolarHBondContact N-O 3.08Å; L187-K195 PolarHBondContact O-N 3.26Å; L187-T197 HydrophobicContact CD1-CG2 3.8Å; L187-T197 HydrophobicContact CG-CG2 3.78Å
188	L	86.9	Confident	86.7	Confident	4 Å²	4	21.7 Å²	21.7	2%	0.021	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	137.2	175.8	-67.8	170.7	0	0	0	111.5	L137 G139 G140 V142 Y160 G192 H193 I194 F331 P333	L137-L188 CarbonylContact C-O 3.56Å; G139-L188 VanDerWaalsContact CA-O 3.23Å; G139-L188 WeakPolarHBondContact CA-O 3.44Å; G139-L188 PolarHBondContact N-O 3.11Å; G140-L188 PolarHBondContact O-N 2.88Å; V142-L188 HydrophobicContact CG2-CD1 4.11Å; V142-L188 HydrophobicContact CG2-CD2 3.7Å; V142-L188 HydrophobicContact CG2-CG 3.52Å; Y160-L188 HydrophobicContact CE1-CD2 4.26Å; L188-G192 WeakPolarHBondContact CD2-O 3.43Å; L188-H193 WeakPolarHBondContact CA-O 3.25Å; L188-I194 HydrophobicContact CD2-CG2 3.81Å; L188-F331 HydrophobicContact CD1-CD1 4.01Å; L188-F331 HydrophobicContact CD1-CE1 4.19Å; L188-P333 HydrophobicContact CB-CG 4.43Å
189	D	86.9	Confident	86.3	Confident	13 Å²	13	21.8 Å²	21.8	7%	0.07	11%	0.111	C	C	.	.			trans	-79	-179.4	166.3	73.6	18.6	0	0	0	112.2	L137 A191 G192 H193 R325 P333	L137-D189 HydrophobicContact CD2-CB 4.36Å; D189-A191 PolarHBondContact O-N 3.24Å; D189-A191 WeakPolarHBondContact OD1-CA 3.16Å; D189-A191 WeakPolarHBondContact OD1-CB 3.37Å; D189-A191 PolarHBondContact OD1-N 3.31Å; D189-G192 PolarHBondContact O-N 3.39Å; D189-G192 PolarHBondContact OD1-N 2.73Å; D189-H193 PolarHBondContact N-O 2.95Å; D189-H193 PolarHBondContact OD1-N 3.44Å; D189-R325 IonicContact OD2-CZ 3.98Å; D189-R325 IonicContact OD2-NE 2.66Å; D189-R325 IonicContact OD2-NH2 3.96Å; D189-R325 PolarHBondContact OD2-NH2 3.4Å; D189-P333 WeakPolarHBondContact O-CG 3.48Å
190	E	82.3	Confident	85.3	Confident	122 Å²	122	21 Å²	21	57%	0.57	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-19.5	-178.5	65.8	-176.6	-174.9	0	0	114.8	R138	R138-E190 IonicContact NH1-OE2 2.74Å; R138-E190 PolarHBondContact NH1-OE2 2.97Å
191	A	83.9	Confident	84.2	Confident	31 Å²	31	22.2 Å²	22.2	26%	0.256	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-20.6	176.4	0	0	0	0	0	111.7	D189 P329	D189-A191 PolarHBondContact O-N 3.24Å; D189-A191 WeakPolarHBondContact OD1-CA 3.16Å; D189-A191 WeakPolarHBondContact OD1-CB 3.37Å; D189-A191 PolarHBondContact OD1-N 3.31Å; A191-P329 WeakPolarHBondContact O-CG 3.35Å
192	G	84.3	Confident	83.2	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	103.8	10.1	-178.3	0	0	0	0	0	114.8	L188 D189 P329 F331	L188-G192 WeakPolarHBondContact CD2-O 3.43Å; D189-G192 PolarHBondContact O-N 3.39Å; D189-G192 PolarHBondContact OD1-N 2.73Å; G192-P329 WeakPolarHBondContact O-CB 3.39Å; G192-F331 VanDerWaalsContact CA-O 3.22Å; G192-F331 WeakPolarHBondContact CA-O 3.48Å
193	H	91.4	Very high	82.6	Confident	7 Å²	7	23.6 Å²	23.6	3%	0.032	13%	0.125	C	C	.	.			trans	-81.2	148.2	173.4	-64.4	-83	0	0	0	110.6	F116 F159 E163 L188 D189 R325 L327 P329	F116-H193 HydrophobicContact CD1-CB 4.43Å; F116-H193 HydrophobicContact CE1-CB 4.13Å; F116-H193 AromaticContact CE1-ND1 3.94Å; F159-H193 AromaticContact CZ-ND1 3.96Å; E163-H193 IonicContact OE1-CE1 2.69Å; E163-H193 IonicContact OE1-CG 3.16Å; E163-H193 IonicContact OE1-ND1 3.8Å; E163-H193 PolarHBondContact OE1-ND1 3.07Å; L188-H193 WeakPolarHBondContact CA-O 3.25Å; D189-H193 PolarHBondContact N-O 2.95Å; D189-H193 PolarHBondContact OD1-N 3.44Å; H193-R325 PolarHBondContact CD2-NE 3.3Å; H193-L327 PolarHBondContact CE1-O 3.23Å; H193-P329 VanDerWaalsContact CE1-CG 3.49Å; H193-P329 WeakPolarHBondContact CE1-CG 3.42Å; H193-P329 WeakPolarHBondContact NE2-CG 3.29Å
194	I	92.4	Very high	81.7	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	149.9	177.6	65.1	102.7	0	0	0	112	F116 V142 Y160 E163 L164 I186 L187 L188	F116-I194 WeakPolarHBondContact CA-O 3.15Å; F116-I194 HydrophobicContact CB-CD1 4.17Å; F116-I194 WeakPolarHBondContact CD1-O 3.13Å; V142-I194 HydrophobicContact CG2-CG2 3.97Å; Y160-I194 HydrophobicContact CD1-CG2 3.47Å; Y160-I194 VanDerWaalsContact CD1-CG2 3.47Å; Y160-I194 HydrophobicContact CE1-CG2 4.02Å; Y160-I194 HydrophobicContact CG-CG2 4.22Å; E163-I194 HydrophobicContact CB-CD1 3.89Å; E163-I194 HydrophobicContact CB-CG1 3.45Å; E163-I194 VanDerWaalsContact CB-CG1 3.45Å; E163-I194 HydrophobicContact CG-CG1 4.31Å; E163-I194 WeakPolarHBondContact OE2-CG1 3.43Å; E163-I194 PolarHBondContact OE2-N 2.89Å; L164-I194 HydrophobicContact CD2-CD1 3.47Å; L164-I194 VanDerWaalsContact CD2-CD1 3.47Å; L164-I194 HydrophobicContact CG-CD1 3.67Å; L164-I194 HydrophobicContact CG-CG1 4.39Å; I186-I194 HydrophobicContact CG2-CB 3.72Å; I186-I194 HydrophobicContact CG2-CD1 4.39Å; I186-I194 HydrophobicContact CG2-CG2 3.79Å; L187-I194 CarbonylContact O-C 3.21Å; L187-I194 VanDerWaalsContact O-CA 3.3Å; L187-I194 WeakPolarHBondContact O-CA 3.29Å; L188-I194 HydrophobicContact CD2-CG2 3.81Å
195	K	93.2	Very high	80.6	Confident	27 Å²	27	26.2 Å²	26.2	12%	0.117	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	130	165.1	-72.4	-172.2	170.2	-124.6	0	111	P115 F116 I117 D135 L137 L187	P115-K195 WeakPolarHBondContact O-CE 3.49Å; P115-K195 PolarHBondContact O-NZ 2.74Å; F116-K195 WeakPolarHBondContact O-CA 3.2Å; I117-K195 PolarHBondContact O-NZ 2.91Å; D135-K195 IonicContact OD2-NZ 3.84Å; D135-K195 PolarHBondContact OD2-NZ 3.21Å; L137-K195 HydrophobicContact CD1-CB 3.59Å; L137-K195 HydrophobicContact CD1-CD 3.88Å; L137-K195 HydrophobicContact CD1-CG 4.28Å; L137-K195 HydrophobicContact CD2-CD 3.61Å; L137-K195 HydrophobicContact CG-CD 4.41Å; L187-K195 PolarHBondContact N-O 3.08Å; L187-K195 PolarHBondContact O-N 3.26Å
196	L	92.5	Very high	78.8	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	136.7	170.7	-70.4	-179.6	0	0	0	110.9	F116 I117 V118 L164 A167 L168 Y178 L181 I186 F199	F116-L196 PolarHBondContact O-N 2.95Å; I117-L196 HydrophobicContact CG1-CB 4.48Å; V118-L196 WeakPolarHBondContact CB-O 3.37Å; V118-L196 WeakPolarHBondContact CG1-O 3.32Å; V118-L196 PolarHBondContact N-O 3.3Å; L164-L196 HydrophobicContact CD2-CD1 4.42Å; L164-L196 HydrophobicContact CD2-CD2 3.54Å; L164-L196 HydrophobicContact CD2-CG 4.02Å; A167-L196 HydrophobicContact CB-CD1 3.68Å; A167-L196 HydrophobicContact CB-CG 4.28Å; L168-L196 HydrophobicContact CD2-CD1 4.47Å; Y178-L196 HydrophobicContact CE1-CD2 4.33Å; L181-L196 HydrophobicContact CD1-CD2 3.75Å; I186-L196 HydrophobicContact CG1-CD2 3.95Å; L196-F199 HydrophobicContact CB-CZ 4.36Å
197	T	88.8	Confident	77.1	Confident	23 Å²	23	34.4 Å²	34.4	14%	0.141	19%	0.188	C	C	.	.			trans	-134.6	173	177.9	-167.3	0	0	0	0	111.4	Y178 N185 L187	Y178-T197 PolarHBondContact OH-O 2.66Å; N185-T197 WeakPolarHBondContact O-CG2 3.5Å; N185-T197 PolarHBondContact O-N 2.99Å; N185-T197 VanDerWaalsContact O-N 3.08Å; L187-T197 HydrophobicContact CD1-CG2 3.8Å; L187-T197 HydrophobicContact CG-CG2 3.78Å
198	D	81.5	Confident	75.2	Confident	55 Å²	55	37.8 Å²	37.8	29%	0.294	22%	0.221	S	C	.	.			trans	62.5	73.3	176.7	-157.4	18.5	0	0	0	115.4	K87 G200	K87-D198 IonicContact NZ-OD1 3.48Å; K87-D198 PolarHBondContact NZ-OD1 2.83Å; D198-G200 PolarHBondContact O-N 2.83Å
199	F	80.3	Confident	73.7	Confident	1 Å²	1	42.2 Å²	42.2	0%	0.004	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-84	13.4	-179.8	-68.4	-102.6	0	0	0	113.4	E105 I108 L109 I117 V118 L171 Y178 L196 L201 S202	E105-F199 HydrophobicContact CG-CB 4Å; I108-F199 HydrophobicContact CG2-CB 4.41Å; I108-F199 HydrophobicContact CG2-CD1 3.7Å; I108-F199 HydrophobicContact CG2-CE1 4.36Å; I108-F199 HydrophobicContact CG2-CG 4.23Å; L109-F199 HydrophobicContact CD2-CD2 3.63Å; L109-F199 HydrophobicContact CD2-CE2 3.87Å; L109-F199 HydrophobicContact CD2-CG 4.32Å; L109-F199 HydrophobicContact CG-CD2 4.16Å; L109-F199 HydrophobicContact CG-CG 4.49Å; I117-F199 HydrophobicContact CG2-CE1 4.41Å; I117-F199 HydrophobicContact CG2-CE2 3.77Å; I117-F199 HydrophobicContact CG2-CZ 3.4Å; I117-F199 VanDerWaalsContact CG2-CZ 3.4Å; V118-F199 HydrophobicContact CG1-CE2 4.14Å; L171-F199 HydrophobicContact CD1-CE1 3.79Å; L171-F199 HydrophobicContact CD1-CZ 4.47Å; L171-F199 HydrophobicContact CD2-CE1 3.78Å; L171-F199 HydrophobicContact CG-CE1 4.44Å; Y178-F199 HydrophobicContact CD2-CD1 4.03Å; Y178-F199 AromaticContact CD2-CE1 3.87Å; Y178-F199 HydrophobicContact CD2-CE1 3.87Å; Y178-F199 HydrophobicContact CD2-CZ 4.45Å; Y178-F199 HydrophobicContact CE2-CD1 4.14Å; Y178-F199 AromaticContact CE2-CE1 4Å; Y178-F199 HydrophobicContact CE2-CE1 4Å; Y178-F199 HydrophobicContact CE2-CG 4.45Å; Y178-F199 HydrophobicContact CE2-CZ 4.19Å; L196-F199 HydrophobicContact CB-CZ 4.36Å; F199-L201 PolarHBondContact O-N 2.71Å; F199-L201 VanDerWaalsContact O-N 3.1Å; F199-S202 WeakPolarHBondContact CA-OG 3.34Å; F199-S202 WeakPolarHBondContact CD1-OG 3.4Å; F199-S202 VanDerWaalsContact O-CB 3.32Å; F199-S202 WeakPolarHBondContact O-CB 3.24Å; F199-S202 PolarHBondContact O-N 2.96Å; F199-S202 PolarHBondContact O-OG 2.74Å
200	G	64	Low	72.5	Confident	13 Å²	13	48.3 Å²	48.3	13%	0.134	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-63.3	-17.2	-176.1	0	0	0	0	0	115.1	R101 D198	R101-G200 WeakPolarHBondContact CB-O 3.24Å; R101-G200 WeakPolarHBondContact CD-O 3.32Å; R101-G200 WeakPolarHBondContact CG-O 3.38Å; D198-G200 PolarHBondContact O-N 2.83Å
201	L	62	Low	71.4	Confident	34 Å²	34	45.9 Å²	45.9	18%	0.178	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-109.1	-0.5	174	-62.5	-176.8	0	0	0	113.2	R179 D180 F199 C216	R179-L201 PolarHBondContact NE-O 3.03Å; R179-L201 PolarHBondContact NH2-O 3.42Å; D180-L201 HydrophobicContact CB-CB 4.15Å; D180-L201 HydrophobicContact CB-CD1 4Å; F199-L201 PolarHBondContact O-N 2.71Å; F199-L201 VanDerWaalsContact O-N 3.1Å; L201-C216 HydrophobicContact CD2-CB 4.25Å
202	S	70.1	Confident	70.3	Confident	5 Å²	5	44.6 Å²	44.6	4%	0.035	25%	0.247	C	C	.	.			trans	-67.5	153.7	176.9	-58	0	0	0	0	111	V177 Y178 F199	V177-S202 WeakPolarHBondContact O-CA 3.49Å; Y178-S202 PolarHBondContact O-OG 3.12Å; F199-S202 WeakPolarHBondContact CA-OG 3.34Å; F199-S202 WeakPolarHBondContact CD1-OG 3.4Å; F199-S202 VanDerWaalsContact O-CB 3.32Å; F199-S202 WeakPolarHBondContact O-CB 3.24Å; F199-S202 PolarHBondContact O-N 2.96Å; F199-S202 PolarHBondContact O-OG 2.74Å
203	K	72.1	Confident	69.3	Low	52 Å²	52	50 Å²	50	23%	0.226	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	132.2	179.7	175.6	163.7	-173.8	-175.6	0	112	M104 V177 A212	M104-K203 HydrophobicContact CE-CB 4.39Å; M104-K203 HydrophobicContact CE-CG 4.27Å; V177-K203 PolarHBondContact N-O 3.38Å; V177-K203 PolarHBondContact O-N 2.78Å; K203-A212 HydrophobicContact CD-CB 4Å
204	E	59.8	Low	68	Low	79 Å²	79	52 Å²	52	37%	0.369	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	140.2	165.4	-69.1	166.8	-170.3	0	0	110	I176 V206	I176-E204 HydrophobicContact CG1-CG 4.17Å; E204-V206 VanDerWaalsContact C-N 3.34Å; E204-V206 WeakPolarHBondContact O-CG2 3.5Å; E204-V206 PolarHBondContact O-N 3.4Å
205	S	56.6	Low	66.6	Low	35 Å²	35	54.9 Å²	54.9	25%	0.245	30%	0.296	C	S	.	.			trans	-73.2	84.7	178.4	48.7	0	0	0	0	111	G175 D207	G175-S205 PolarHBondContact O-N 3.19Å; G175-S205 PolarHBondContact O-OG 3.44Å; S205-D207 PolarHBondContact O-N 2.92Å
206	V	48.8	Very low	65.2	Low	111 Å²	111	54.1 Å²	54.1	67%	0.673	29%	0.294	S	S	*	.			trans	-79.6	-8.4	-168.9	-150.1	0	0	0	0	115.1	E204	E204-V206 VanDerWaalsContact C-N 3.34Å; E204-V206 WeakPolarHBondContact O-CG2 3.5Å; E204-V206 PolarHBondContact O-N 3.4Å
207	D	52.1	Low	64.1	Low	76 Å²	76	55.3 Å²	55.3	41%	0.406	31%	0.306	S	S	.	.	S	Bend	trans	-102.1	156.5	-173.3	-152.6	-11.8	0	0	0	112.4	S205 D209 K210	S205-D207 PolarHBondContact O-N 2.92Å; D207-D209 PolarHBondContact O-N 3.14Å; D207-K210 WeakPolarHBondContact O-CA 3.37Å; D207-K210 PolarHBondContact O-N 3.12Å
208	A	48.9	Very low	63.6	Low	103 Å²	103	55.5 Å²	55.5	85%	0.851	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-23.4	179.6	0	0	0	0	0	113.1
209	D	55.8	Low	63.6	Low	97 Å²	97	53.7 Å²	53.7	52%	0.519	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	4.6	176.3	-89.7	8.8	0	0	0	114.4	D207 K211	D207-D209 PolarHBondContact O-N 3.14Å; D209-K211 VanDerWaalsContact C-N 3.27Å; D209-K211 HydrophobicContact CB-CD 3.98Å; D209-K211 HydrophobicContact CB-CG 4.22Å; D209-K211 PolarHBondContact O-N 2.86Å; D209-K211 IonicContact OD2-NZ 2.8Å; D209-K211 PolarHBondContact OD2-NZ 3.4Å
210	K	61.3	Low	64	Low	142 Å²	142	55.9 Å²	55.9	62%	0.617	31%	0.309	S	S	*	.			trans	55	31.9	-172.8	-60.2	-175.4	179.2	-175.9	0	115	D207	D207-K210 WeakPolarHBondContact O-CA 3.37Å; D207-K210 PolarHBondContact O-N 3.12Å
211	K	59.4	Low	65.2	Low	71 Å²	71	55.9 Å²	55.9	31%	0.309	31%	0.305	S	S	.	.			trans	-103.6	147.6	-177.1	-71.2	169	-167.9	153.3	0	113.1	D209 Y213 H232 T233	D209-K211 VanDerWaalsContact C-N 3.27Å; D209-K211 HydrophobicContact CB-CD 3.98Å; D209-K211 HydrophobicContact CB-CG 4.22Å; D209-K211 PolarHBondContact O-N 2.86Å; D209-K211 IonicContact OD2-NZ 2.8Å; D209-K211 PolarHBondContact OD2-NZ 3.4Å; K211-Y213 HydrophobicContact CB-CE2 4.01Å; K211-H232 WeakPolarHBondContact CA-O 3.25Å; K211-T233 HydrophobicContact CG-CG2 3.85Å
212	A	60.5	Low	66.5	Low	3 Å²	3	54.7 Å²	54.7	3%	0.025	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-116	139	168.7	0	0	0	0	0	111	K203 G231 H232	K203-A212 HydrophobicContact CD-CB 4Å; A212-G231 CarbonylContact O-C 3.54Å; A212-G231 VanDerWaalsContact O-CA 3.24Å; A212-G231 WeakPolarHBondContact O-CA 3.45Å; A212-H232 VanDerWaalsContact CB-NE2 3.3Å; A212-H232 WeakPolarHBondContact CB-NE2 3.49Å; A212-H232 PolarHBondContact N-O 3.25Å; A212-H232 PolarHBondContact O-CE1 3.5Å; A212-H232 PolarHBondContact O-N 2.94Å; A212-H232 PolarHBondContact O-ND1 3.41Å
213	Y	62.9	Low	67.5	Low	113 Å²	113	54.5 Å²	54.5	44%	0.443	30%	0.297	S	S	.	.			trans	-109.9	-0.7	-172.3	-64	-88.9	0	0	0	114.5	K211	K211-Y213 HydrophobicContact CB-CE2 4.01Å
214	S	64	Low	68.4	Low	51 Å²	51	52.3 Å²	52.3	36%	0.357	29%	0.288	S	S	.	.			trans	-74.2	131.7	-174.7	-50.6	0	0	0	0	112.2	C216 H232	S214-C216 PolarHBondContact O-N 2.88Å; S214-H232 PolarHBondContact O-CE1 2.74Å; S214-H232 VanDerWaalsContact O-CE1 3.24Å
215	F	64.9	Low	69.9	Low	61 Å²	61	49 Å²	49	27%	0.268	27%	0.273	S	S	.	.			trans	-79.9	100.8	167.7	-172.1	-85	0	0	0	109.1	M222 R229 M264	F215-M222 HydrophobicContact CE1-CE 4.07Å; F215-M222 HydrophobicContact CE1-SD 4.32Å; F215-M222 HydrophobicContact CE2-SD 4.07Å; F215-M222 HydrophobicContact CZ-CE 4.19Å; F215-M222 HydrophobicContact CZ-SD 3.86Å; F215-R229 HydrophobicContact CD2-CG 4.24Å; F215-M264 HydrophobicContact CE1-CE 4.32Å; F215-M264 HydrophobicContact CE2-CE 4.21Å; F215-M264 HydrophobicContact CZ-CE 3.48Å; F215-M264 VanDerWaalsContact CZ-CE 3.48Å; F215-M264 HydrophobicContact CZ-SD 4.38Å
216	C	63.8	Low	71.3	Confident	11 Å²	11	47.9 Å²	47.9	7%	0.074	26%	0.264	C	S	.	.			trans	-151.7	157.4	-178.3	55.6	0	0	0	0	111.7	R179 L201 S214 M222	R179-C216 VanDerWaalsContact CZ-SG 3.57Å; L201-C216 HydrophobicContact CD2-CB 4.25Å; S214-C216 PolarHBondContact O-N 2.88Å; C216-M222 VanDerWaalsContact O-CE 3.29Å; C216-M222 WeakPolarHBondContact O-CE 3.42Å
217	G	67.4	Low	73.1	Confident	25 Å²	25	43.2 Å²	43.2	26%	0.258	24%	0.236	S	C	.	.	S	Bend	trans	111.9	-179.8	-175.5	0	0	0	0	0	112.7	M222	G217-M222 WeakPolarHBondContact O-CE 3.47Å
218	T	78.4	Confident	74.6	Confident	27 Å²	27	42.9 Å²	42.9	17%	0.166	23%	0.234	C	C	.	.			trans	-83.7	123.5	170.8	-63.6	0	0	0	0	109.8	K182 E220 Y221 M222	K182-T218 WeakPolarHBondContact CD-OG1 3.5Å; T218-E220 WeakPolarHBondContact CG2-OE2 3.27Å; T218-E220 PolarHBondContact O-N 3.45Å; T218-E220 VanDerWaalsContact O-N 3.11Å; T218-Y221 HydrophobicContact CG2-CD2 3.77Å; T218-Y221 HydrophobicContact CG2-CE2 4.06Å; T218-Y221 PolarHBondContact O-N 3.45Å; T218-M222 WeakPolarHBondContact O-CG 3.43Å; T218-M222 PolarHBondContact O-N 2.86Å
219	V	83.3	Confident	76	Confident	18 Å²	18	46.1 Å²	46.1	11%	0.109	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-53.5	-40	-167	174	0	0	0	0	112.2	Y221 M222 R260 T263 M264 I267	V219-Y221 PolarHBondContact O-N 2.97Å; V219-M222 HydrophobicContact CG2-CE 4.19Å; V219-M222 WeakPolarHBondContact O-CB 3.15Å; V219-M222 PolarHBondContact O-N 2.75Å; V219-M222 VanDerWaalsContact O-N 3.12Å; V219-R260 HydrophobicContact CG1-CG 4.3Å; V219-R260 HydrophobicContact CG2-CG 4Å; V219-T263 HydrophobicContact CG1-CG2 4.09Å; V219-M264 HydrophobicContact CG1-CE 4.39Å; V219-M264 HydrophobicContact CG1-CG 3.9Å; V219-M264 HydrophobicContact CG2-CE 4.33Å; V219-I267 HydrophobicContact CG1-CD1 4.35Å; V219-I267 WeakPolarHBondContact O-CD1 3.25Å
220	E	87.1	Confident	76.5	Confident	47 Å²	47	50.5 Å²	50.5	22%	0.22	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-62.7	-25.2	-178.2	-61	89.4	154.7	0	0	113.3	T218 L253 T263	T218-E220 WeakPolarHBondContact CG2-OE2 3.27Å; T218-E220 PolarHBondContact O-N 3.45Å; T218-E220 VanDerWaalsContact O-N 3.11Å; E220-L253 HydrophobicContact CB-CD1 3.8Å; E220-L253 HydrophobicContact CB-CD2 4.28Å; E220-L253 HydrophobicContact CG-CD1 3.78Å; E220-T263 HydrophobicContact CG-CG2 4.28Å
221	Y	89.6	Confident	76.8	Confident	13 Å²	13	44.2 Å²	44.2	5%	0.051	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-102.1	-3.4	178.3	-59.5	-97.1	0	0	0	112.9	L181 K182 P183 T218 V219 S240 V243 E247 L253	L181-Y221 WeakPolarHBondContact O-CD1 3.31Å; K182-Y221 HydrophobicContact CB-CD1 4.37Å; K182-Y221 HydrophobicContact CB-CD2 4.08Å; K182-Y221 HydrophobicContact CB-CE1 4.33Å; K182-Y221 HydrophobicContact CB-CE2 4.01Å; K182-Y221 HydrophobicContact CB-CG 4.27Å; P183-Y221 VanDerWaalsContact CD-CZ 3.49Å; P183-Y221 WeakPolarHBondContact CD-OH 3.41Å; T218-Y221 HydrophobicContact CG2-CD2 3.77Å; T218-Y221 HydrophobicContact CG2-CE2 4.06Å; T218-Y221 PolarHBondContact O-N 3.45Å; V219-Y221 PolarHBondContact O-N 2.97Å; Y221-S240 PolarHBondContact O-OG 2.79Å; Y221-V243 HydrophobicContact CD1-CB 3.88Å; Y221-V243 HydrophobicContact CD1-CG1 3.4Å; Y221-V243 HydrophobicContact CE1-CB 4.46Å; Y221-V243 HydrophobicContact CE1-CG1 3.68Å; Y221-V243 HydrophobicContact CG-CG1 4.01Å; Y221-E247 WeakPolarHBondContact CE1-OE2 3.16Å; Y221-E247 PolarHBondContact OH-OE1 2.83Å; Y221-E247 PolarHBondContact OH-OE2 2.89Å; Y221-L253 HydrophobicContact CE1-CD2 4.35Å; Y221-L253 HydrophobicContact CE2-CD2 4.31Å
222	M	89.9	Confident	77.4	Confident	8 Å²	8	41.1 Å²	41.1	4%	0.039	20%	0.195	C	C	.	.			trans	-73.1	139	-177.1	-68.8	-173	-171.2	0	0	112.3	F215 C216 G217 T218 V219 V226 V227 W239	F215-M222 HydrophobicContact CE1-CE 4.07Å; F215-M222 HydrophobicContact CE1-SD 4.32Å; F215-M222 HydrophobicContact CE2-SD 4.07Å; F215-M222 HydrophobicContact CZ-CE 4.19Å; F215-M222 HydrophobicContact CZ-SD 3.86Å; C216-M222 VanDerWaalsContact O-CE 3.29Å; C216-M222 WeakPolarHBondContact O-CE 3.42Å; G217-M222 WeakPolarHBondContact O-CE 3.47Å; T218-M222 WeakPolarHBondContact O-CG 3.43Å; T218-M222 PolarHBondContact O-N 2.86Å; V219-M222 HydrophobicContact CG2-CE 4.19Å; V219-M222 WeakPolarHBondContact O-CB 3.15Å; V219-M222 PolarHBondContact O-N 2.75Å; V219-M222 VanDerWaalsContact O-N 3.12Å; M222-V226 HydrophobicContact CB-CB 4.39Å; M222-V226 HydrophobicContact CB-CG1 4.43Å; M222-V226 HydrophobicContact CG-CG1 4.28Å; M222-V226 HydrophobicContact SD-CG1 3.99Å; M222-V227 HydrophobicContact CB-CG2 3.89Å; M222-V227 HydrophobicContact SD-CG2 4.49Å; M222-W239 PolarHBondContact O-NE1 3.03Å
223	A	91	Very high	78.5	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.008	21%	0.207	C	C	.	.			trans	-71.5	153.1	171.8	0	0	0	0	0	112.3	E225 V226 V227 A236 W239	A223-E225 VanDerWaalsContact CB-CD 3.47Å; A223-E225 HydrophobicContact CB-CG 4.35Å; A223-E225 WeakPolarHBondContact CB-OE1 3.42Å; A223-E225 WeakPolarHBondContact CB-OE2 3.48Å; A223-E225 PolarHBondContact O-N 2.69Å; A223-V226 HydrophobicContact CB-CG2 4.15Å; A223-V226 WeakPolarHBondContact O-CB 3.49Å; A223-V226 PolarHBondContact O-N 3.15Å; A223-V227 PolarHBondContact O-N 3.39Å; A223-V227 VanDerWaalsContact O-N 3.08Å; A223-A236 HydrophobicContact CB-CB 4.06Å; A223-W239 VanDerWaalsContact CA-CD1 3.47Å; A223-W239 HydrophobicContact CB-CB 3.67Å; A223-W239 HydrophobicContact CB-CD2 4.24Å; A223-W239 HydrophobicContact CB-CG 3.67Å
224	P	91.9	Very high	79.6	Confident	6 Å²	6	40.8 Å²	40.8	4%	0.039	20%	0.201	C	C	.	.	H	α-helix	trans	-54.8	-36.1	-179.8	-27.8	35.5	0	0	0	114.3	V226 V227 N228 W239 I267 L268 R292	P224-V226 VanDerWaalsContact C-N 3.35Å; P224-V227 PolarHBondContact O-N 3.28Å; P224-N228 WeakPolarHBondContact O-CB 3.37Å; P224-N228 PolarHBondContact O-N 3.45Å; P224-W239 HydrophobicContact CG-CD2 4.5Å; P224-W239 HydrophobicContact CG-CE3 4.15Å; P224-W239 HydrophobicContact CG-CH2 3.53Å; P224-W239 HydrophobicContact CG-CZ2 3.93Å; P224-W239 HydrophobicContact CG-CZ3 3.65Å; P224-I267 HydrophobicContact CB-CG2 4.45Å; P224-I267 HydrophobicContact CG-CG2 4.01Å; P224-L268 HydrophobicContact CB-CD2 3.97Å; P224-R292 HydrophobicContact CG-CB 4.39Å; P224-R292 HydrophobicContact CG-CG 4.12Å
225	E	89.7	Confident	80.9	Confident	10 Å²	10	38.4 Å²	38.4	5%	0.047	18%	0.184	C	C	.	.	H	α-helix	trans	-68.8	-31	177.5	63.8	-88.1	-156.1	0	0	113.4	A223 R229 R230 H232 S235 P294 R297	A223-E225 VanDerWaalsContact CB-CD 3.47Å; A223-E225 HydrophobicContact CB-CG 4.35Å; A223-E225 WeakPolarHBondContact CB-OE1 3.42Å; A223-E225 WeakPolarHBondContact CB-OE2 3.48Å; A223-E225 PolarHBondContact O-N 2.69Å; E225-R229 PolarHBondContact O-N 3.44Å; E225-R230 PolarHBondContact O-N 2.72Å; E225-R230 VanDerWaalsContact O-N 3.14Å; E225-H232 HydrophobicContact CG-CB 3.99Å; E225-S235 PolarHBondContact OE1-OG 2.91Å; E225-P294 HydrophobicContact CG-CG 4.49Å; E225-R297 IonicContact OE1-CZ 3.7Å; E225-R297 IonicContact OE1-NH1 3.78Å; E225-R297 PolarHBondContact OE1-NH1 3.44Å; E225-R297 IonicContact OE1-NH2 3.65Å; E225-R297 PolarHBondContact OE1-NH2 3.45Å; E225-R297 IonicContact OE2-CZ 2.74Å; E225-R297 IonicContact OE2-NH1 3.14Å; E225-R297 IonicContact OE2-NH2 2.74Å; E225-R297 PolarHBondContact OE2-NH2 3.14Å
226	V	87.4	Confident	82.2	Confident	11 Å²	11	35.7 Å²	35.7	7%	0.067	17%	0.173	C	C	.	.	H	α-helix	trans	-70.9	-45.4	173.8	-177	0	0	0	0	109.3	M222 A223 P224 N228 R229 H232 A236	M222-V226 HydrophobicContact CB-CB 4.39Å; M222-V226 HydrophobicContact CB-CG1 4.43Å; M222-V226 HydrophobicContact CG-CG1 4.28Å; M222-V226 HydrophobicContact SD-CG1 3.99Å; A223-V226 HydrophobicContact CB-CG2 4.15Å; A223-V226 WeakPolarHBondContact O-CB 3.49Å; A223-V226 PolarHBondContact O-N 3.15Å; P224-V226 VanDerWaalsContact C-N 3.35Å; V226-N228 VanDerWaalsContact C-N 3.34Å; V226-N228 PolarHBondContact O-N 3.19Å; V226-R229 PolarHBondContact O-N 3.02Å; V226-R229 VanDerWaalsContact O-N 3.13Å; V226-H232 HydrophobicContact CG2-CB 3.7Å; V226-A236 HydrophobicContact CG2-CB 3.97Å
227	V	85.5	Confident	83.6	Confident	13 Å²	13	35.2 Å²	35.2	8%	0.079	17%	0.169	C	C	.	.	H	α-helix	trans	-60.9	-43.2	177.6	177.4	0	0	0	0	111.5	M222 A223 P224 R229 M264 I267 L268	M222-V227 HydrophobicContact CB-CG2 3.89Å; M222-V227 HydrophobicContact SD-CG2 4.49Å; A223-V227 PolarHBondContact O-N 3.39Å; A223-V227 VanDerWaalsContact O-N 3.08Å; P224-V227 PolarHBondContact O-N 3.28Å; V227-R229 VanDerWaalsContact C-N 3.27Å; V227-R229 PolarHBondContact O-N 3.26Å; V227-M264 HydrophobicContact CG1-CB 3.83Å; V227-M264 HydrophobicContact CG1-CG 3.84Å; V227-M264 HydrophobicContact CG1-SD 4.13Å; V227-I267 HydrophobicContact CG2-CD1 4.34Å; V227-I267 HydrophobicContact CG2-CG2 4.1Å; V227-L268 HydrophobicContact CB-CD2 4.22Å; V227-L268 HydrophobicContact CG1-CD1 4.1Å; V227-L268 HydrophobicContact CG1-CD2 4.16Å; V227-L268 HydrophobicContact CG1-CG 4.08Å
228	N	83.5	Confident	85	Confident	70 Å²	70	34 Å²	34	37%	0.374	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-0.9	178.1	-80.1	-29.8	0	0	0	114.7	P224 V226 R230 L268	P224-N228 WeakPolarHBondContact O-CB 3.37Å; P224-N228 PolarHBondContact O-N 3.45Å; V226-N228 VanDerWaalsContact C-N 3.34Å; V226-N228 PolarHBondContact O-N 3.19Å; N228-R230 HydrophobicContact CB-CG 3.96Å; N228-R230 PolarHBondContact O-N 3.05Å; N228-R230 VanDerWaalsContact O-N 3.14Å; N228-L268 VanDerWaalsContact ND2-CD2 3.26Å; N228-L268 WeakPolarHBondContact ND2-CD2 2.91Å; N228-L268 WeakPolarHBondContact OD1-CD1 3.28Å; N228-L268 WeakPolarHBondContact OD1-CD2 3.46Å
229	R	78.6	Confident	85.8	Confident	170 Å²	170	32.8 Å²	32.8	64%	0.642	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	29.2	-178.9	-53.4	-177.5	179.5	-151.9	0.4	114.4	F215 E225 V226 V227 G231	F215-R229 HydrophobicContact CD2-CG 4.24Å; E225-R229 PolarHBondContact O-N 3.44Å; V226-R229 PolarHBondContact O-N 3.02Å; V226-R229 VanDerWaalsContact O-N 3.13Å; V227-R229 VanDerWaalsContact C-N 3.27Å; V227-R229 PolarHBondContact O-N 3.26Å; R229-G231 PolarHBondContact O-N 2.85Å
230	R	65.7	Low	86.4	Confident	190 Å²	190	32.2 Å²	32.2	72%	0.717	15%	0.146	S	C	*	.	S	Bend	trans	-82.2	8.8	-176.6	-71.8	-178.7	-178.2	-167	-0.9	114	E225 N228	E225-R230 PolarHBondContact O-N 2.72Å; E225-R230 VanDerWaalsContact O-N 3.14Å; N228-R230 HydrophobicContact CB-CG 3.96Å; N228-R230 PolarHBondContact O-N 3.05Å; N228-R230 VanDerWaalsContact O-N 3.14Å
231	G	68.6	Low	86.9	Confident	9 Å²	9	30.1 Å²	30.1	9%	0.093	14%	0.137	C	C	.	.			trans	82	140.3	-163.5	0	0	0	0	0	110.8	A212 R229	A212-G231 CarbonylContact O-C 3.54Å; A212-G231 VanDerWaalsContact O-CA 3.24Å; A212-G231 WeakPolarHBondContact O-CA 3.45Å; R229-G231 PolarHBondContact O-N 2.85Å
232	H	72.3	Confident	87.2	Confident	6 Å²	6	29.5 Å²	29.5	3%	0.028	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-129.9	149.9	177.3	55.2	-91	0	0	0	110.7	R179 K211 A212 S214 E225 V226 A236	R179-H232 WeakPolarHBondContact CD-NE2 3.39Å; R179-H232 PolarHBondContact NH1-NE2 3.21Å; K211-H232 WeakPolarHBondContact CA-O 3.25Å; A212-H232 VanDerWaalsContact CB-NE2 3.3Å; A212-H232 WeakPolarHBondContact CB-NE2 3.49Å; A212-H232 PolarHBondContact N-O 3.25Å; A212-H232 PolarHBondContact O-CE1 3.5Å; A212-H232 PolarHBondContact O-N 2.94Å; A212-H232 PolarHBondContact O-ND1 3.41Å; S214-H232 PolarHBondContact O-CE1 2.74Å; S214-H232 VanDerWaalsContact O-CE1 3.24Å; E225-H232 HydrophobicContact CG-CB 3.99Å; V226-H232 HydrophobicContact CG2-CB 3.7Å; H232-A236 HydrophobicContact CB-CB 4.18Å
233	T	82.1	Confident	87.3	Confident	45 Å²	45	29.1 Å²	29.1	28%	0.276	13%	0.132	S	C	.	.			trans	-117.3	-169.8	175.8	65.1	0	0	0	0	109.1	K211 S235 A236	K211-T233 HydrophobicContact CG-CG2 3.85Å; T233-S235 PolarHBondContact O-N 2.71Å; T233-S235 PolarHBondContact OG1-N 3.13Å; T233-S235 PolarHBondContact OG1-OG 2.82Å; T233-A236 WeakPolarHBondContact O-CB 3.48Å; T233-A236 PolarHBondContact O-N 3.13Å; T233-A236 VanDerWaalsContact O-N 3.09Å
234	Q	87.7	Confident	87.3	Confident	65 Å²	65	29.3 Å²	29.3	30%	0.304	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-23.4	173	71.3	-169.7	37.6	0	0	114.6	H172 A236 D237	H172-Q234 HydrophobicContact CB-CB 4.37Å; H172-Q234 PolarHBondContact CE1-O 2.81Å; Q234-A236 PolarHBondContact O-N 3.03Å; Q234-A236 VanDerWaalsContact O-N 3.12Å; Q234-D237 PolarHBondContact O-N 3.13Å; Q234-D237 VanDerWaalsContact O-N 3.11Å
235	S	90.9	Very high	87.3	Confident	1 Å²	1	29 Å²	29	1%	0.007	13%	0.131	C	C	.	.	H	α-helix	trans	-59.5	-25.2	176.8	65	0	0	0	0	113.6	E225 T233 D237 W238 W239 P294 R297	E225-S235 PolarHBondContact OE1-OG 2.91Å; T233-S235 PolarHBondContact O-N 2.71Å; T233-S235 PolarHBondContact OG1-N 3.13Å; T233-S235 PolarHBondContact OG1-OG 2.82Å; S235-D237 VanDerWaalsContact C-N 3.29Å; S235-D237 PolarHBondContact O-N 2.87Å; S235-W238 PolarHBondContact O-N 2.85Å; S235-W239 PolarHBondContact O-N 3.12Å; S235-P294 WeakPolarHBondContact OG-CB 3.35Å; S235-R297 VanDerWaalsContact C-NH1 3.34Å; S235-R297 WeakPolarHBondContact O-CD 3.04Å; S235-R297 PolarHBondContact O-NH1 2.9Å
236	A	91.9	Very high	87.3	Confident	4 Å²	4	29.1 Å²	29.1	3%	0.033	13%	0.132	C	C	.	.	H	α-helix	trans	-63.8	-35.6	178.1	0	0	0	0	0	111.8	A223 V226 H232 T233 Q234 W238 W239 S240	A223-A236 HydrophobicContact CB-CB 4.06Å; V226-A236 HydrophobicContact CG2-CB 3.97Å; H232-A236 HydrophobicContact CB-CB 4.18Å; T233-A236 WeakPolarHBondContact O-CB 3.48Å; T233-A236 PolarHBondContact O-N 3.13Å; T233-A236 VanDerWaalsContact O-N 3.09Å; Q234-A236 PolarHBondContact O-N 3.03Å; Q234-A236 VanDerWaalsContact O-N 3.12Å; A236-W238 VanDerWaalsContact C-N 3.31Å; A236-W238 PolarHBondContact O-N 2.77Å; A236-W239 WeakPolarHBondContact O-CB 3.19Å; A236-W239 PolarHBondContact O-N 2.81Å; A236-S240 PolarHBondContact O-N 3.48Å; A236-S240 VanDerWaalsContact O-N 3.13Å; A236-S240 PolarHBondContact O-OG 3.1Å
237	D	93.8	Very high	87.2	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-66.8	-34.7	178.5	-66.7	-25.3	0	0	0	111.3	L168 H172 V177 Y178 R179 Q234 S235 W239 S240 L241	L168-D237 HydrophobicContact CD1-CB 4.28Å; L168-D237 HydrophobicContact CD2-CB 3.97Å; H172-D237 IonicContact CD2-OD2 3.63Å; H172-D237 IonicContact CE1-OD2 3.39Å; H172-D237 IonicContact NE2-OD2 2.88Å; H172-D237 PolarHBondContact NE2-OD2 3.05Å; V177-D237 WeakPolarHBondContact CG1-OD2 3.42Å; Y178-D237 PolarHBondContact N-OD2 3.45Å; R179-D237 WeakPolarHBondContact CA-OD1 3.13Å; R179-D237 PolarHBondContact N-OD1 2.96Å; Q234-D237 PolarHBondContact O-N 3.13Å; Q234-D237 VanDerWaalsContact O-N 3.11Å; S235-D237 VanDerWaalsContact C-N 3.29Å; S235-D237 PolarHBondContact O-N 2.87Å; D237-W239 VanDerWaalsContact C-N 3.32Å; D237-W239 PolarHBondContact O-N 2.87Å; D237-S240 PolarHBondContact O-N 2.9Å; D237-L241 PolarHBondContact O-N 2.92Å
238	W	96.3	Very high	86.9	Confident	1 Å²	1	29.7 Å²	29.7	0%	0.004	13%	0.133	C	C	.	.	H	α-helix	trans	-67.5	-30.9	174.5	-57.8	134.8	0	0	0	113.2	A165 L168 H172 S235 A236 L241 G242 L289 G299 V305 I308	A165-W238 HydrophobicContact CB-CZ3 4.24Å; L168-W238 HydrophobicContact CB-CH2 3.85Å; L168-W238 HydrophobicContact CB-CZ3 4.03Å; L168-W238 HydrophobicContact CD1-CE3 4.01Å; L168-W238 HydrophobicContact CD1-CH2 4.34Å; L168-W238 HydrophobicContact CD1-CZ3 3.67Å; H172-W238 AromaticContact CE1-CE2 3.86Å; H172-W238 AromaticContact CE1-CZ2 3.85Å; H172-W238 AromaticContact ND1-CE2 3.94Å; H172-W238 AromaticContact ND1-CZ2 3.67Å; S235-W238 PolarHBondContact O-N 2.85Å; A236-W238 VanDerWaalsContact C-N 3.31Å; A236-W238 PolarHBondContact O-N 2.77Å; W238-L241 HydrophobicContact CE3-CB 4.46Å; W238-L241 HydrophobicContact CE3-CD2 3.7Å; W238-L241 HydrophobicContact CZ3-CD2 3.84Å; W238-G242 PolarHBondContact O-N 3.04Å; W238-G242 VanDerWaalsContact O-N 3.11Å; W238-L289 HydrophobicContact CB-CD2 4.17Å; W238-G299 PolarHBondContact NE1-O 2.7Å; W238-V305 HydrophobicContact CH2-CB 4.23Å; W238-V305 HydrophobicContact CH2-CG2 3.77Å; W238-V305 HydrophobicContact CZ2-CB 4.2Å; W238-V305 HydrophobicContact CZ2-CG2 4.24Å; W238-I308 HydrophobicContact CD2-CD1 3.4Å; W238-I308 VanDerWaalsContact CD2-CD1 3.4Å; W238-I308 HydrophobicContact CE3-CD1 3.21Å; W238-I308 HydrophobicContact CG-CD1 4.17Å; W238-I308 HydrophobicContact CH2-CD1 3.6Å; W238-I308 HydrophobicContact CZ2-CD1 3.75Å; W238-I308 HydrophobicContact CZ3-CD1 3.31Å
239	W	96.1	Very high	86.7	Confident	1 Å²	1	26.6 Å²	26.6	0%	0.004	12%	0.116	C	C	.	.	H	α-helix	trans	-65.7	-47.7	169.8	175.5	-80	0	0	0	110.7	M222 A223 P224 S235 A236 D237 L241 G242 V243 F255 I267 F290 R292	M222-W239 PolarHBondContact O-NE1 3.03Å; A223-W239 VanDerWaalsContact CA-CD1 3.47Å; A223-W239 HydrophobicContact CB-CB 3.67Å; A223-W239 HydrophobicContact CB-CD2 4.24Å; A223-W239 HydrophobicContact CB-CG 3.67Å; P224-W239 HydrophobicContact CG-CD2 4.5Å; P224-W239 HydrophobicContact CG-CE3 4.15Å; P224-W239 HydrophobicContact CG-CH2 3.53Å; P224-W239 HydrophobicContact CG-CZ2 3.93Å; P224-W239 HydrophobicContact CG-CZ3 3.65Å; S235-W239 PolarHBondContact O-N 3.12Å; A236-W239 WeakPolarHBondContact O-CB 3.19Å; A236-W239 PolarHBondContact O-N 2.81Å; D237-W239 VanDerWaalsContact C-N 3.32Å; D237-W239 PolarHBondContact O-N 2.87Å; W239-L241 VanDerWaalsContact C-N 3.25Å; W239-L241 PolarHBondContact O-N 3.21Å; W239-G242 CarbonylContact O-C 3.45Å; W239-G242 WeakPolarHBondContact O-CA 3.4Å; W239-G242 PolarHBondContact O-N 3.33Å; W239-V243 PolarHBondContact O-N 2.83Å; W239-F255 AromaticContact CH2-CE2 3.9Å; W239-F255 HydrophobicContact CH2-CE2 3.9Å; W239-F255 HydrophobicContact CH2-CZ 4.44Å; W239-F255 HydrophobicContact CZ2-CD2 4.02Å; W239-F255 AromaticContact CZ2-CE2 3.57Å; W239-F255 HydrophobicContact CZ2-CE2 3.57Å; W239-I267 HydrophobicContact CZ2-CG2 4.06Å; W239-F290 AromaticContact CD2-CD1 3.94Å; W239-F290 HydrophobicContact CD2-CD1 3.94Å; W239-F290 HydrophobicContact CD2-CE1 4.3Å; W239-F290 AromaticContact CE2-CD1 3.9Å; W239-F290 AromaticContact CE3-CD1 3.88Å; W239-F290 HydrophobicContact CE3-CD1 3.88Å; W239-F290 AromaticContact CH2-CD1 3.81Å; W239-F290 HydrophobicContact CH2-CD1 3.81Å; W239-F290 AromaticContact CZ2-CD1 3.86Å; W239-F290 HydrophobicContact CZ2-CD1 3.86Å; W239-F290 HydrophobicContact CZ2-CE1 4.2Å; W239-F290 HydrophobicContact CZ3-CB 4.22Å; W239-F290 AromaticContact CZ3-CD1 3.83Å; W239-F290 HydrophobicContact CZ3-CD1 3.83Å; W239-R292 HydrophobicContact CZ3-CG 4.41Å
240	S	95	Very high	86.5	Confident	6 Å²	6	19.1 Å²	19.1	4%	0.042	9%	0.089	C	C	.	.	H	α-helix	trans	-61.8	-34.7	178.1	-53.9	0	0	0	0	111.8	Y221 A236 D237 G242 V243 L244	Y221-S240 PolarHBondContact O-OG 2.79Å; A236-S240 PolarHBondContact O-N 3.48Å; A236-S240 VanDerWaalsContact O-N 3.13Å; A236-S240 PolarHBondContact O-OG 3.1Å; D237-S240 PolarHBondContact O-N 2.9Å; S240-G242 VanDerWaalsContact C-N 3.31Å; S240-G242 PolarHBondContact O-N 3.21Å; S240-V243 PolarHBondContact O-N 3.43Å; S240-L244 WeakPolarHBondContact O-CB 3.36Å; S240-L244 PolarHBondContact O-N 2.65Å
241	L	96.4	Very high	86.8	Confident	3 Å²	3	10.8 Å²	10.8	2%	0.016	6%	0.063	C	C	.	.	H	α-helix	trans	-62.1	-39.3	172	-170.2	73.6	0	0	0	111.2	L161 L164 L168 L181 D237 W238 W239 L244 M245	L161-L241 HydrophobicContact CD2-CD1 3.54Å; L161-L241 HydrophobicContact CD2-CG 3.97Å; L164-L241 HydrophobicContact CB-CD1 3.86Å; L164-L241 HydrophobicContact CD1-CD1 4.15Å; L168-L241 HydrophobicContact CD1-CD1 4.42Å; L181-L241 HydrophobicContact CD2-CB 4.01Å; L181-L241 HydrophobicContact CD2-CD1 3.98Å; D237-L241 PolarHBondContact O-N 2.92Å; W238-L241 HydrophobicContact CE3-CB 4.46Å; W238-L241 HydrophobicContact CE3-CD2 3.7Å; W238-L241 HydrophobicContact CZ3-CD2 3.84Å; W239-L241 VanDerWaalsContact C-N 3.25Å; W239-L241 PolarHBondContact O-N 3.21Å; L241-L244 PolarHBondContact O-N 2.87Å; L241-M245 WeakPolarHBondContact O-CB 3.49Å; L241-M245 PolarHBondContact O-N 3.38Å
242	G	96.2	Very high	87.2	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-66	-39.8	173.4	0	0	0	0	0	113.4	W238 W239 S240 M245 F246 F290	W238-G242 PolarHBondContact O-N 3.04Å; W238-G242 VanDerWaalsContact O-N 3.11Å; W239-G242 CarbonylContact O-C 3.45Å; W239-G242 WeakPolarHBondContact O-CA 3.4Å; W239-G242 PolarHBondContact O-N 3.33Å; S240-G242 VanDerWaalsContact C-N 3.31Å; S240-G242 PolarHBondContact O-N 3.21Å; G242-M245 PolarHBondContact O-N 3.4Å; G242-F246 WeakPolarHBondContact O-CB 3.24Å; G242-F246 PolarHBondContact O-N 2.8Å; G242-F290 WeakPolarHBondContact O-CZ 3.34Å
243	V	93.6	Very high	87.8	Confident	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.3	-47.3	172.9	178.6	0	0	0	0	110.3	Y221 W239 S240 F246 E247 L253 P254 F290	Y221-V243 HydrophobicContact CD1-CB 3.88Å; Y221-V243 HydrophobicContact CD1-CG1 3.4Å; Y221-V243 HydrophobicContact CE1-CB 4.46Å; Y221-V243 HydrophobicContact CE1-CG1 3.68Å; Y221-V243 HydrophobicContact CG-CG1 4.01Å; W239-V243 PolarHBondContact O-N 2.83Å; S240-V243 PolarHBondContact O-N 3.43Å; V243-F246 PolarHBondContact O-N 3.43Å; V243-E247 WeakPolarHBondContact O-CB 3.35Å; V243-E247 PolarHBondContact O-N 3.03Å; V243-L253 HydrophobicContact CG1-CD2 3.94Å; V243-P254 HydrophobicContact CB-CG 4.39Å; V243-P254 HydrophobicContact CG1-CG 4.06Å; V243-P254 HydrophobicContact CG2-CG 4.16Å; V243-F290 HydrophobicContact CG2-CE1 3.72Å; V243-F290 HydrophobicContact CG2-CZ 4.12Å
244	L	90.7	Very high	88.1	Confident	4 Å²	4	13.1 Å²	13.1	2%	0.021	8%	0.075	C	C	.	.	H	α-helix	trans	-61.9	-46.2	178	-176.3	69.5	0	0	0	111.8	L161 L164 L181 P183 I186 S240 L241 F246 E247 M248	L161-L244 HydrophobicContact CD2-CD2 4.46Å; L164-L244 HydrophobicContact CD1-CD2 3.4Å; L164-L244 VanDerWaalsContact CD1-CD2 3.4Å; L181-L244 HydrophobicContact CG-CD2 4.46Å; P183-L244 HydrophobicContact CB-CD1 4.46Å; P183-L244 HydrophobicContact CG-CD1 3.7Å; I186-L244 HydrophobicContact CD1-CD1 4.16Å; I186-L244 HydrophobicContact CD1-CD2 3.45Å; I186-L244 VanDerWaalsContact CD1-CD2 3.45Å; I186-L244 HydrophobicContact CD1-CG 4.47Å; S240-L244 WeakPolarHBondContact O-CB 3.36Å; S240-L244 PolarHBondContact O-N 2.65Å; L241-L244 PolarHBondContact O-N 2.87Å; L244-F246 VanDerWaalsContact C-N 3.34Å; L244-F246 PolarHBondContact O-N 2.7Å; L244-E247 PolarHBondContact O-N 2.68Å; L244-M248 HydrophobicContact CD1-CG 4.39Å; L244-M248 HydrophobicContact CD1-SD 4.28Å; L244-M248 HydrophobicContact CD2-SD 4.33Å; L244-M248 HydrophobicContact CG-CG 4.37Å; L244-M248 HydrophobicContact CG-SD 3.84Å; L244-M248 WeakPolarHBondContact O-CB 3.44Å; L244-M248 VanDerWaalsContact O-CG 3.23Å; L244-M248 WeakPolarHBondContact O-CG 3.41Å; L244-M248 PolarHBondContact O-N 2.92Å
245	M	92.3	Very high	88.3	Confident	0 Å²	0	10 Å²	10	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-55.3	-49.6	174.2	177	178.2	-179.4	0	0	111.2	V157 L161 L241 G242 E247 M248 L249 A282 L285 L286 L289 F313	V157-M245 HydrophobicContact CG1-CG 4.26Å; L161-M245 HydrophobicContact CD1-CB 3.58Å; L161-M245 HydrophobicContact CD1-CG 3.54Å; L161-M245 HydrophobicContact CD1-SD 3.86Å; L161-M245 HydrophobicContact CD2-CB 4.2Å; L241-M245 WeakPolarHBondContact O-CB 3.49Å; L241-M245 PolarHBondContact O-N 3.38Å; G242-M245 PolarHBondContact O-N 3.4Å; M245-E247 VanDerWaalsContact C-N 3.32Å; M245-E247 PolarHBondContact O-N 3.38Å; M245-M248 PolarHBondContact O-N 3.21Å; M245-L249 HydrophobicContact CE-CD1 3.6Å; M245-L249 HydrophobicContact CG-CD1 3.67Å; M245-L249 HydrophobicContact CG-CG 4.41Å; M245-L249 WeakPolarHBondContact O-CB 3.38Å; M245-L249 WeakPolarHBondContact O-CG 3.38Å; M245-L249 PolarHBondContact O-N 2.86Å; M245-A282 HydrophobicContact CE-CB 3.88Å; M245-L285 HydrophobicContact CE-CB 4.15Å; M245-L285 HydrophobicContact CE-CD2 3.91Å; M245-L285 HydrophobicContact CE-CG 4.28Å; M245-L285 HydrophobicContact SD-CB 4.31Å; M245-L285 HydrophobicContact SD-CD2 3.66Å; M245-L285 HydrophobicContact SD-CG 3.89Å; M245-L286 HydrophobicContact CB-CD2 4.06Å; M245-L286 HydrophobicContact CE-CD2 4.37Å; M245-L286 HydrophobicContact CE-CG 3.99Å; M245-L286 HydrophobicContact CG-CD2 3.76Å; M245-L286 HydrophobicContact CG-CG 4.38Å; M245-L286 HydrophobicContact SD-CD2 3.66Å; M245-L286 HydrophobicContact SD-CG 3.88Å; M245-L289 HydrophobicContact SD-CD1 4.45Å; M245-F313 HydrophobicContact CE-CD1 4.48Å; M245-F313 HydrophobicContact CE-CD2 4.39Å; M245-F313 HydrophobicContact CE-CE1 4.12Å; M245-F313 HydrophobicContact CE-CE2 4.05Å; M245-F313 HydrophobicContact CE-CZ 3.91Å
246	F	88.8	Confident	88.1	Confident	13 Å²	13	13.8 Å²	13.8	6%	0.057	8%	0.078	C	C	.	.	H	α-helix	trans	-61.5	-42.9	179.8	-171.7	-80.2	0	0	0	111.2	G242 V243 L244 L249 T250 T252 P254 L272 P275 L286 F290	G242-F246 WeakPolarHBondContact O-CB 3.24Å; G242-F246 PolarHBondContact O-N 2.8Å; V243-F246 PolarHBondContact O-N 3.43Å; L244-F246 VanDerWaalsContact C-N 3.34Å; L244-F246 PolarHBondContact O-N 2.7Å; F246-L249 PolarHBondContact O-N 3.45Å; F246-T250 HydrophobicContact CD1-CG2 4.02Å; F246-T250 VanDerWaalsContact CD1-OG1 3.31Å; F246-T250 WeakPolarHBondContact CD1-OG1 3.32Å; F246-T250 HydrophobicContact CD2-CG2 4.42Å; F246-T250 HydrophobicContact CE1-CG2 3.8Å; F246-T250 VanDerWaalsContact CE1-OG1 3.23Å; F246-T250 WeakPolarHBondContact CE1-OG1 3.4Å; F246-T250 HydrophobicContact CE2-CG2 4.24Å; F246-T250 HydrophobicContact CG-CG2 4.32Å; F246-T250 HydrophobicContact CZ-CG2 3.92Å; F246-T250 VanDerWaalsContact O-CB 3.3Å; F246-T250 WeakPolarHBondContact O-CB 3.46Å; F246-T250 VanDerWaalsContact O-CG2 3.27Å; F246-T250 WeakPolarHBondContact O-CG2 3.16Å; F246-T250 PolarHBondContact O-N 2.86Å; F246-T250 PolarHBondContact O-OG1 3.32Å; F246-T252 VanDerWaalsContact CD1-O 3.27Å; F246-T252 WeakPolarHBondContact CD1-O 3.48Å; F246-P254 HydrophobicContact CB-CB 4.35Å; F246-P254 HydrophobicContact CB-CG 4.32Å; F246-P254 HydrophobicContact CD1-CB 3.72Å; F246-P254 HydrophobicContact CD1-CG 4.16Å; F246-P254 HydrophobicContact CD2-CB 4.1Å; F246-P254 HydrophobicContact CE1-CB 3.98Å; F246-P254 HydrophobicContact CE2-CB 4.32Å; F246-P254 HydrophobicContact CG-CB 3.79Å; F246-P254 HydrophobicContact CG-CG 4.24Å; F246-P254 HydrophobicContact CZ-CB 4.27Å; F246-L272 HydrophobicContact CD2-CD1 4.11Å; F246-L272 HydrophobicContact CE2-CD1 3.92Å; F246-P275 HydrophobicContact CE2-CG 4.02Å; F246-P275 HydrophobicContact CZ-CG 4.2Å; F246-L286 HydrophobicContact CB-CD2 4.05Å; F246-L286 HydrophobicContact CD2-CD1 4.18Å; F246-L286 HydrophobicContact CD2-CD2 4.48Å; F246-F290 HydrophobicContact CB-CE2 4.29Å; F246-F290 HydrophobicContact CB-CZ 4.35Å; F246-F290 HydrophobicContact CD2-CE2 4.42Å
247	E	84.6	Confident	87.7	Confident	14 Å²	14	14.4 Å²	14.4	7%	0.065	9%	0.085	C	C	.	.	H	α-helix	trans	-65.8	-43.5	178.6	-174.2	179.4	-155.5	0	0	112.2	P183 Y221 V243 L244 M245 L249 T250 G251 T252	P183-E247 WeakPolarHBondContact CG-OE2 3.5Å; Y221-E247 WeakPolarHBondContact CE1-OE2 3.16Å; Y221-E247 PolarHBondContact OH-OE1 2.83Å; Y221-E247 PolarHBondContact OH-OE2 2.89Å; V243-E247 WeakPolarHBondContact O-CB 3.35Å; V243-E247 PolarHBondContact O-N 3.03Å; L244-E247 PolarHBondContact O-N 2.68Å; M245-E247 VanDerWaalsContact C-N 3.32Å; M245-E247 PolarHBondContact O-N 3.38Å; E247-L249 VanDerWaalsContact C-N 3.3Å; E247-L249 PolarHBondContact O-N 3.09Å; E247-T250 PolarHBondContact O-N 2.96Å; E247-G251 VanDerWaalsContact O-CA 3.24Å; E247-G251 WeakPolarHBondContact O-CA 3.11Å; E247-G251 PolarHBondContact O-N 3.33Å; E247-T252 WeakPolarHBondContact CA-O 3.44Å
248	M	80.8	Confident	87.1	Confident	21 Å²	21	23.8 Å²	23.8	10%	0.103	13%	0.126	C	C	.	.	H	α-helix	trans	-63.4	-37.1	176.5	-67.8	171.1	74.2	0	0	111.9	F152 V157 Y160 L244 M245	F152-M248 HydrophobicContact CD1-CE 4.25Å; F152-M248 HydrophobicContact CD2-CB 3.89Å; F152-M248 HydrophobicContact CD2-CG 4.32Å; F152-M248 VanDerWaalsContact CD2-O 3.32Å; F152-M248 WeakPolarHBondContact CD2-O 3.18Å; F152-M248 HydrophobicContact CE1-CE 3.47Å; F152-M248 VanDerWaalsContact CE1-CE 3.47Å; F152-M248 HydrophobicContact CE2-CB 3.7Å; F152-M248 HydrophobicContact CE2-CE 3.88Å; F152-M248 HydrophobicContact CE2-CG 3.61Å; F152-M248 HydrophobicContact CZ-CB 4.25Å; F152-M248 HydrophobicContact CZ-CE 3.16Å; F152-M248 HydrophobicContact CZ-CG 3.89Å; F152-M248 HydrophobicContact CZ-SD 4.29Å; V157-M248 HydrophobicContact CB-CE 4.4Å; V157-M248 HydrophobicContact CG1-CB 4.24Å; V157-M248 HydrophobicContact CG1-CE 4.34Å; V157-M248 HydrophobicContact CG1-SD 4.39Å; V157-M248 HydrophobicContact CG2-CB 3.69Å; V157-M248 HydrophobicContact CG2-CE 4.11Å; Y160-M248 HydrophobicContact CD2-CE 3.98Å; Y160-M248 HydrophobicContact CG-CE 4.44Å; L244-M248 HydrophobicContact CD1-CG 4.39Å; L244-M248 HydrophobicContact CD1-SD 4.28Å; L244-M248 HydrophobicContact CD2-SD 4.33Å; L244-M248 HydrophobicContact CG-CG 4.37Å; L244-M248 HydrophobicContact CG-SD 3.84Å; L244-M248 WeakPolarHBondContact O-CB 3.44Å; L244-M248 VanDerWaalsContact O-CG 3.23Å; L244-M248 WeakPolarHBondContact O-CG 3.41Å; L244-M248 PolarHBondContact O-N 2.92Å; M245-M248 PolarHBondContact O-N 3.21Å
249	L	78.8	Confident	86.6	Confident	6 Å²	6	27.9 Å²	27.9	3%	0.031	15%	0.148	C	C	.	.	H	α-helix	trans	-80.3	-28.1	-179	-70.3	174	0	0	0	114.3	E154 V157 M245 F246 E247 L278 A282 L286 T563	E154-L249 HydrophobicContact CB-CD2 4.44Å; E154-L249 HydrophobicContact CG-CD2 3.77Å; V157-L249 HydrophobicContact CB-CD2 4.01Å; V157-L249 HydrophobicContact CB-CG 4.46Å; V157-L249 HydrophobicContact CG1-CD2 4.21Å; V157-L249 HydrophobicContact CG1-CG 4.14Å; V157-L249 HydrophobicContact CG2-CD2 3.69Å; V157-L249 HydrophobicContact CG2-CG 4.15Å; M245-L249 HydrophobicContact CE-CD1 3.6Å; M245-L249 HydrophobicContact CG-CD1 3.67Å; M245-L249 HydrophobicContact CG-CG 4.41Å; M245-L249 WeakPolarHBondContact O-CB 3.38Å; M245-L249 WeakPolarHBondContact O-CG 3.38Å; M245-L249 PolarHBondContact O-N 2.86Å; F246-L249 PolarHBondContact O-N 3.45Å; E247-L249 VanDerWaalsContact C-N 3.3Å; E247-L249 PolarHBondContact O-N 3.09Å; L249-L278 HydrophobicContact CB-CD2 3.95Å; L249-L278 HydrophobicContact CD1-CD1 4.21Å; L249-L278 HydrophobicContact CD1-CD2 4.15Å; L249-L278 HydrophobicContact CD2-CD2 4.34Å; L249-L278 HydrophobicContact CG-CD2 4.38Å; L249-A282 HydrophobicContact CD1-CB 4.38Å; L249-L286 HydrophobicContact CD1-CD1 4.5Å; L249-T563 WeakPolarHBondContact O-CB 3.23Å; L249-T563 PolarHBondContact O-OG1 3.07Å
250	T	73.4	Confident	86	Confident	12 Å²	12	35.3 Å²	35.3	7%	0.074	18%	0.176	C	C	.	.	H	α-helix	trans	-116.1	-14.9	-171.2	71.5	0	0	0	0	114.3	F246 E247 T252 P275 F277	F246-T250 HydrophobicContact CD1-CG2 4.02Å; F246-T250 VanDerWaalsContact CD1-OG1 3.31Å; F246-T250 WeakPolarHBondContact CD1-OG1 3.32Å; F246-T250 HydrophobicContact CD2-CG2 4.42Å; F246-T250 HydrophobicContact CE1-CG2 3.8Å; F246-T250 VanDerWaalsContact CE1-OG1 3.23Å; F246-T250 WeakPolarHBondContact CE1-OG1 3.4Å; F246-T250 HydrophobicContact CE2-CG2 4.24Å; F246-T250 HydrophobicContact CG-CG2 4.32Å; F246-T250 HydrophobicContact CZ-CG2 3.92Å; F246-T250 VanDerWaalsContact O-CB 3.3Å; F246-T250 WeakPolarHBondContact O-CB 3.46Å; F246-T250 VanDerWaalsContact O-CG2 3.27Å; F246-T250 WeakPolarHBondContact O-CG2 3.16Å; F246-T250 PolarHBondContact O-N 2.86Å; F246-T250 PolarHBondContact O-OG1 3.32Å; E247-T250 PolarHBondContact O-N 2.96Å; T250-T252 PolarHBondContact O-N 2.82Å; T250-T252 PolarHBondContact OG1-N 3.37Å; T250-T252 VanDerWaalsContact OG1-N 3.15Å; T250-T252 PolarHBondContact OG1-O 3.3Å; T250-T252 PolarHBondContact OG1-OG1 2.92Å; T250-P275 HydrophobicContact CG2-CG 3.62Å; T250-F277 HydrophobicContact CG2-CZ 4.18Å
251	G	73.3	Confident	85.7	Confident	16 Å²	16	39.7 Å²	39.7	17%	0.165	20%	0.199	C	C	.	.	S	Bend	trans	67.4	6.2	-169.5	0	0	0	0	0	114.3	E247	E247-G251 VanDerWaalsContact O-CA 3.24Å; E247-G251 WeakPolarHBondContact O-CA 3.11Å; E247-G251 PolarHBondContact O-N 3.33Å
252	T	76.4	Confident	85.4	Confident	70 Å²	70	43.3 Å²	43.3	43%	0.429	22%	0.216	S	C	.	.	S	Bend	trans	-132.2	156.1	-176.7	63.4	0	0	0	0	111.3	F246 E247 T250	F246-T252 VanDerWaalsContact CD1-O 3.27Å; F246-T252 WeakPolarHBondContact CD1-O 3.48Å; E247-T252 WeakPolarHBondContact CA-O 3.44Å; T250-T252 PolarHBondContact O-N 2.82Å; T250-T252 PolarHBondContact OG1-N 3.37Å; T250-T252 VanDerWaalsContact OG1-N 3.15Å; T250-T252 PolarHBondContact OG1-O 3.3Å; T250-T252 PolarHBondContact OG1-OG1 2.92Å
253	L	84.6	Confident	85.1	Confident	21 Å²	21	43.6 Å²	43.6	11%	0.11	22%	0.217	C	C	.	.			trans	-80.3	142.1	175.6	-72.2	165.4	0	0	0	110.3	E220 Y221 V243 F255 Q256	E220-L253 HydrophobicContact CB-CD1 3.8Å; E220-L253 HydrophobicContact CB-CD2 4.28Å; E220-L253 HydrophobicContact CG-CD1 3.78Å; Y221-L253 HydrophobicContact CE1-CD2 4.35Å; Y221-L253 HydrophobicContact CE2-CD2 4.31Å; V243-L253 HydrophobicContact CG1-CD2 3.94Å; L253-F255 VanDerWaalsContact C-N 3.29Å; L253-F255 PolarHBondContact O-N 2.95Å; L253-Q256 HydrophobicContact CB-CB 4.19Å; L253-Q256 HydrophobicContact CD1-CG 4.46Å
254	P	88.2	Confident	84.9	Confident	17 Å²	17	45 Å²	45	11%	0.11	22%	0.224	C	C	.	.	S	Bend	trans	-67.3	-30.2	-179.7	26.9	-34.6	0	0	0	112.9	V243 F246 L272 F290	V243-P254 HydrophobicContact CB-CG 4.39Å; V243-P254 HydrophobicContact CG1-CG 4.06Å; V243-P254 HydrophobicContact CG2-CG 4.16Å; F246-P254 HydrophobicContact CB-CB 4.35Å; F246-P254 HydrophobicContact CB-CG 4.32Å; F246-P254 HydrophobicContact CD1-CB 3.72Å; F246-P254 HydrophobicContact CD1-CG 4.16Å; F246-P254 HydrophobicContact CD2-CB 4.1Å; F246-P254 HydrophobicContact CE1-CB 3.98Å; F246-P254 HydrophobicContact CE2-CB 4.32Å; F246-P254 HydrophobicContact CG-CB 3.79Å; F246-P254 HydrophobicContact CG-CG 4.24Å; F246-P254 HydrophobicContact CZ-CB 4.27Å; P254-L272 HydrophobicContact CB-CD1 3.77Å; P254-F290 HydrophobicContact CB-CE2 4.42Å; P254-F290 HydrophobicContact CB-CZ 4.07Å; P254-F290 HydrophobicContact CG-CE1 4.32Å; P254-F290 HydrophobicContact CG-CZ 3.79Å
255	F	92	Very high	85	Confident	1 Å²	1	48.7 Å²	48.7	0%	0.004	24%	0.244	C	C	.	.	S	Bend	trans	-136.3	108.9	179.4	-51.9	-68.5	0	0	0	109.4	W239 L253 M266 I267 A270 L272 F290	W239-F255 AromaticContact CH2-CE2 3.9Å; W239-F255 HydrophobicContact CH2-CE2 3.9Å; W239-F255 HydrophobicContact CH2-CZ 4.44Å; W239-F255 HydrophobicContact CZ2-CD2 4.02Å; W239-F255 AromaticContact CZ2-CE2 3.57Å; W239-F255 HydrophobicContact CZ2-CE2 3.57Å; L253-F255 VanDerWaalsContact C-N 3.29Å; L253-F255 PolarHBondContact O-N 2.95Å; F255-M266 HydrophobicContact CB-CB 4.11Å; F255-M266 HydrophobicContact CD1-CB 4.39Å; F255-I267 HydrophobicContact CB-CG1 3.83Å; F255-I267 HydrophobicContact CD2-CG1 4.31Å; F255-I267 HydrophobicContact CG-CG1 4.28Å; F255-A270 HydrophobicContact CD1-CB 4.1Å; F255-A270 HydrophobicContact CE1-CB 4.18Å; F255-L272 HydrophobicContact CZ-CB 4.42Å; F255-L272 HydrophobicContact CZ-CD1 4.12Å; F255-F290 HydrophobicContact CE2-CD1 4.1Å; F255-F290 HydrophobicContact CE2-CE1 4.11Å
256	Q	87.3	Confident	85	Confident	79 Å²	79	51.4 Å²	51.4	37%	0.369	26%	0.257	S	S	.	.			trans	-150.3	122.3	177.2	-170	180	1.9	0	0	110	L253	L253-Q256 HydrophobicContact CB-CB 4.19Å; L253-Q256 HydrophobicContact CD1-CG 4.46Å
257	G	82.6	Confident	85.1	Confident	18 Å²	18	50.8 Å²	50.8	19%	0.186	26%	0.255	C	S	.	.			trans	-103	-179.9	174.1	0	0	0	0	0	112	D259 T263	G257-D259 VanDerWaalsContact C-N 3.25Å; G257-D259 PolarHBondContact O-N 3.32Å; G257-T263 PolarHBondContact N-OG1 2.97Å
258	K	82.1	Confident	85.4	Confident	197 Å²	197	52 Å²	52	86%	0.857	26%	0.261	S	S	*	.	S	Bend	trans	-68.4	-28.4	176.5	-61.7	176.3	-178	177	0	112.2	E262	K258-E262 VanDerWaalsContact CB-OE2 3.3Å; K258-E262 WeakPolarHBondContact CB-OE2 3.44Å; K258-E262 WeakPolarHBondContact CG-OE2 3.48Å; K258-E262 PolarHBondContact N-OE2 2.67Å
259	D	85.9	Confident	85.9	Confident	86 Å²	86	58.6 Å²	58.6	46%	0.46	29%	0.29	S	S	.	.	S	Bend	trans	-136	175.3	176.8	68.9	51.6	0	0	0	112.2	G257 N261 E262 T263	G257-D259 VanDerWaalsContact C-N 3.25Å; G257-D259 PolarHBondContact O-N 3.32Å; D259-N261 VanDerWaalsContact C-N 3.33Å; D259-N261 PolarHBondContact O-N 3.06Å; D259-N261 WeakPolarHBondContact OD1-CA 3.4Å; D259-N261 WeakPolarHBondContact OD1-CB 3.14Å; D259-N261 PolarHBondContact OD1-N 3.27Å; D259-E262 PolarHBondContact O-N 3.41Å; D259-E262 PolarHBondContact OD1-N 2.93Å; D259-T263 WeakPolarHBondContact O-CB 3.42Å; D259-T263 PolarHBondContact O-N 2.64Å; D259-T263 PolarHBondContact O-OG1 3.26Å
260	R	83.8	Confident	86.5	Confident	158 Å²	158	59.6 Å²	59.6	60%	0.596	30%	0.299	S	S	*	.	H	α-helix	trans	-62	-38.8	-177.9	-163.9	-176	66.3	177.5	-1.8	112.4	V219 M264	V219-R260 HydrophobicContact CG1-CG 4.3Å; V219-R260 HydrophobicContact CG2-CG 4Å; R260-M264 HydrophobicContact CG-CE 3.67Å; R260-M264 VanDerWaalsContact O-CG 3.27Å; R260-M264 WeakPolarHBondContact O-CG 3.13Å; R260-M264 PolarHBondContact O-N 3.42Å
261	N	87.3	Confident	87.2	Confident	98 Å²	98	68.3 Å²	68.3	52%	0.524	34%	0.336	S	S	.	.	H	α-helix	trans	-73.8	-39.8	-176.7	-67.7	-20.8	0	0	0	110.9	D259 M264 N265	D259-N261 VanDerWaalsContact C-N 3.33Å; D259-N261 PolarHBondContact O-N 3.06Å; D259-N261 WeakPolarHBondContact OD1-CA 3.4Å; D259-N261 WeakPolarHBondContact OD1-CB 3.14Å; D259-N261 PolarHBondContact OD1-N 3.27Å; N261-M264 PolarHBondContact O-N 3.28Å; N261-N265 WeakPolarHBondContact O-CB 2.95Å; N261-N265 PolarHBondContact O-N 3.49Å; N261-N265 PolarHBondContact O-ND2 3.36Å; N261-N265 VanDerWaalsContact O-ND2 3.17Å
262	E	91.2	Very high	87.9	Confident	78 Å²	78	69.5 Å²	69.5	36%	0.364	34%	0.338	S	S	.	.	H	α-helix	trans	-62.7	-44.2	173	-169.2	177.2	-162.9	0	0	110.8	K258 D259 M264 N265 M266	K258-E262 VanDerWaalsContact CB-OE2 3.3Å; K258-E262 WeakPolarHBondContact CB-OE2 3.44Å; K258-E262 WeakPolarHBondContact CG-OE2 3.48Å; K258-E262 PolarHBondContact N-OE2 2.67Å; D259-E262 PolarHBondContact O-N 3.41Å; D259-E262 PolarHBondContact OD1-N 2.93Å; E262-M264 PolarHBondContact O-N 3.04Å; E262-N265 WeakPolarHBondContact O-CB 3.41Å; E262-N265 PolarHBondContact O-N 3.17Å; E262-N265 VanDerWaalsContact O-N 3.15Å; E262-M266 WeakPolarHBondContact O-CG 3.26Å; E262-M266 PolarHBondContact O-N 3.48Å
263	T	90.1	Very high	88.3	Confident	6 Å²	6	68.9 Å²	68.9	4%	0.037	35%	0.345	C	S	.	.	H	α-helix	trans	-58.9	-47.2	175.1	-57.8	0	0	0	0	111.7	V219 E220 G257 D259 N265 M266 I267	V219-T263 HydrophobicContact CG1-CG2 4.09Å; E220-T263 HydrophobicContact CG-CG2 4.28Å; G257-T263 PolarHBondContact N-OG1 2.97Å; D259-T263 WeakPolarHBondContact O-CB 3.42Å; D259-T263 PolarHBondContact O-N 2.64Å; D259-T263 PolarHBondContact O-OG1 3.26Å; T263-N265 VanDerWaalsContact C-N 3.33Å; T263-N265 PolarHBondContact O-N 3.34Å; T263-M266 PolarHBondContact O-N 3.03Å; T263-I267 HydrophobicContact CG2-CD1 4.18Å; T263-I267 WeakPolarHBondContact O-CG1 3.35Å; T263-I267 PolarHBondContact O-N 3.49Å
264	M	89.4	Confident	88.4	Confident	29 Å²	29	69.5 Å²	69.5	14%	0.143	35%	0.348	C	S	.	.	H	α-helix	trans	-58.6	-44.5	174.3	-72.4	-174.9	-160	0	0	111.7	F215 V219 V227 R260 N261 E262 M266 I267 L268	F215-M264 HydrophobicContact CE1-CE 4.32Å; F215-M264 HydrophobicContact CE2-CE 4.21Å; F215-M264 HydrophobicContact CZ-CE 3.48Å; F215-M264 VanDerWaalsContact CZ-CE 3.48Å; F215-M264 HydrophobicContact CZ-SD 4.38Å; V219-M264 HydrophobicContact CG1-CE 4.39Å; V219-M264 HydrophobicContact CG1-CG 3.9Å; V219-M264 HydrophobicContact CG2-CE 4.33Å; V227-M264 HydrophobicContact CG1-CB 3.83Å; V227-M264 HydrophobicContact CG1-CG 3.84Å; V227-M264 HydrophobicContact CG1-SD 4.13Å; R260-M264 HydrophobicContact CG-CE 3.67Å; R260-M264 VanDerWaalsContact O-CG 3.27Å; R260-M264 WeakPolarHBondContact O-CG 3.13Å; R260-M264 PolarHBondContact O-N 3.42Å; N261-M264 PolarHBondContact O-N 3.28Å; E262-M264 PolarHBondContact O-N 3.04Å; M264-M266 VanDerWaalsContact C-N 3.31Å; M264-M266 PolarHBondContact O-N 3.11Å; M264-I267 PolarHBondContact O-N 3.4Å; M264-L268 VanDerWaalsContact O-CG 3.27Å; M264-L268 WeakPolarHBondContact O-CG 3.41Å; M264-L268 PolarHBondContact O-N 2.78Å
265	N	91.7	Very high	87.9	Confident	83 Å²	83	69.6 Å²	69.6	44%	0.444	35%	0.349	S	S	.	.	H	α-helix	trans	-61.1	-39.4	176.9	-80.6	-41.8	0	0	0	112.3	N261 E262 T263 L268 K269	N261-N265 WeakPolarHBondContact O-CB 2.95Å; N261-N265 PolarHBondContact O-N 3.49Å; N261-N265 PolarHBondContact O-ND2 3.36Å; N261-N265 VanDerWaalsContact O-ND2 3.17Å; E262-N265 WeakPolarHBondContact O-CB 3.41Å; E262-N265 PolarHBondContact O-N 3.17Å; E262-N265 VanDerWaalsContact O-N 3.15Å; T263-N265 VanDerWaalsContact C-N 3.33Å; T263-N265 PolarHBondContact O-N 3.34Å; N265-L268 PolarHBondContact O-N 3.25Å; N265-K269 WeakPolarHBondContact O-CB 3.23Å; N265-K269 PolarHBondContact O-N 3.21Å
266	M	92.2	Very high	87.1	Confident	56 Å²	56	77.1 Å²	77.1	28%	0.276	38%	0.384	S	S	.	.	H	α-helix	trans	-64.5	-47.1	175.9	-70.6	179.9	74.3	0	0	111.8	F255 E262 T263 M264 L268 K269 A270 R292	F255-M266 HydrophobicContact CB-CB 4.11Å; F255-M266 HydrophobicContact CD1-CB 4.39Å; E262-M266 WeakPolarHBondContact O-CG 3.26Å; E262-M266 PolarHBondContact O-N 3.48Å; T263-M266 PolarHBondContact O-N 3.03Å; M264-M266 VanDerWaalsContact C-N 3.31Å; M264-M266 PolarHBondContact O-N 3.11Å; M266-L268 PolarHBondContact O-N 2.95Å; M266-K269 PolarHBondContact O-N 2.9Å; M266-A270 HydrophobicContact CB-CB 4.03Å; M266-A270 HydrophobicContact CG-CB 4.37Å; M266-A270 WeakPolarHBondContact O-CB 3.49Å; M266-A270 PolarHBondContact O-N 3.06Å; M266-R292 PolarHBondContact O-NH2 3.5Å
267	I	92.5	Very high	86.5	Confident	0 Å²	0	77 Å²	77	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-53.9	-45.4	175.1	-68.3	165.3	0	0	0	110.1	V219 P224 V227 W239 F255 T263 M264 R292	V219-I267 HydrophobicContact CG1-CD1 4.35Å; V219-I267 WeakPolarHBondContact O-CD1 3.25Å; P224-I267 HydrophobicContact CB-CG2 4.45Å; P224-I267 HydrophobicContact CG-CG2 4.01Å; V227-I267 HydrophobicContact CG2-CD1 4.34Å; V227-I267 HydrophobicContact CG2-CG2 4.1Å; W239-I267 HydrophobicContact CZ2-CG2 4.06Å; F255-I267 HydrophobicContact CB-CG1 3.83Å; F255-I267 HydrophobicContact CD2-CG1 4.31Å; F255-I267 HydrophobicContact CG-CG1 4.28Å; T263-I267 HydrophobicContact CG2-CD1 4.18Å; T263-I267 WeakPolarHBondContact O-CG1 3.35Å; T263-I267 PolarHBondContact O-N 3.49Å; M264-I267 PolarHBondContact O-N 3.4Å; I267-R292 PolarHBondContact O-NE 3.42Å; I267-R292 PolarHBondContact O-NH2 2.87Å
268	L	90.9	Very high	86.3	Confident	39 Å²	39	76.4 Å²	76.4	20%	0.204	38%	0.375	C	S	.	.	H	α-helix	trans	-71.8	-35.8	-177.7	-66.4	-179.7	0	0	0	114.3	P224 V227 N228 M264 N265 M266 R292	P224-L268 HydrophobicContact CB-CD2 3.97Å; V227-L268 HydrophobicContact CB-CD2 4.22Å; V227-L268 HydrophobicContact CG1-CD1 4.1Å; V227-L268 HydrophobicContact CG1-CD2 4.16Å; V227-L268 HydrophobicContact CG1-CG 4.08Å; N228-L268 VanDerWaalsContact ND2-CD2 3.26Å; N228-L268 WeakPolarHBondContact ND2-CD2 2.91Å; N228-L268 WeakPolarHBondContact OD1-CD1 3.28Å; N228-L268 WeakPolarHBondContact OD1-CD2 3.46Å; M264-L268 VanDerWaalsContact O-CG 3.27Å; M264-L268 WeakPolarHBondContact O-CG 3.41Å; M264-L268 PolarHBondContact O-N 2.78Å; N265-L268 PolarHBondContact O-N 3.25Å; M266-L268 PolarHBondContact O-N 2.95Å; L268-R292 WeakPolarHBondContact O-CD 3.39Å; L268-R292 PolarHBondContact O-NE 3.37Å
269	K	91	Very high	86.5	Confident	161 Å²	161	68.6 Å²	68.6	70%	0.7	35%	0.345	S	S	*	.	H	α-helix	trans	-128.7	-26.2	-164.4	-60.9	177.7	-177.6	171.8	0	115.7	N265 M266	N265-K269 WeakPolarHBondContact O-CB 3.23Å; N265-K269 PolarHBondContact O-N 3.21Å; M266-K269 PolarHBondContact O-N 2.9Å
270	A	90.5	Very high	86.7	Confident	27 Å²	27	70.4 Å²	70.4	22%	0.223	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-68.9	144.2	-171.6	0	0	0	0	0	112.5	F255 M266 R292	F255-A270 HydrophobicContact CD1-CB 4.1Å; F255-A270 HydrophobicContact CE1-CB 4.18Å; M266-A270 HydrophobicContact CB-CB 4.03Å; M266-A270 HydrophobicContact CG-CB 4.37Å; M266-A270 WeakPolarHBondContact O-CB 3.49Å; M266-A270 PolarHBondContact O-N 3.06Å; A270-R292 PolarHBondContact O-NH1 3.15Å; A270-R292 PolarHBondContact O-NH2 3.4Å
271	K	88.1	Confident	87.2	Confident	195 Å²	195	67 Å²	67	85%	0.848	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-73.6	138.8	168.9	-67.9	-177.7	179.7	178.6	0	108.7	G273	K271-G273 PolarHBondContact O-N 3.06Å
272	L	88.3	Confident	87.4	Confident	40 Å²	40	62.4 Å²	62.4	21%	0.209	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-65.6	118.6	172.9	-179.7	70.6	0	0	0	108.6	F246 P254 F255 M274 F290	F246-L272 HydrophobicContact CD2-CD1 4.11Å; F246-L272 HydrophobicContact CE2-CD1 3.92Å; P254-L272 HydrophobicContact CB-CD1 3.77Å; F255-L272 HydrophobicContact CZ-CB 4.42Å; F255-L272 HydrophobicContact CZ-CD1 4.12Å; L272-M274 HydrophobicContact CD2-CE 3.67Å; L272-M274 PolarHBondContact O-N 3.44Å; L272-M274 VanDerWaalsContact O-N 3.13Å; L272-F290 HydrophobicContact CD1-CD2 3.91Å; L272-F290 HydrophobicContact CD1-CE2 3.88Å; L272-F290 HydrophobicContact CD2-CB 4.35Å; L272-F290 HydrophobicContact CD2-CD2 3.43Å; L272-F290 VanDerWaalsContact CD2-CD2 3.43Å; L272-F290 HydrophobicContact CD2-CE2 4.06Å; L272-F290 HydrophobicContact CD2-CG 4.24Å; L272-F290 HydrophobicContact CG-CD2 4.28Å
273	G	84.8	Confident	87.5	Confident	57 Å²	57	59.4 Å²	59.4	59%	0.588	31%	0.306	S	S	*	.			trans	-72.7	99.1	170	0	0	0	0	0	109.1	K271 P275	K271-G273 PolarHBondContact O-N 3.06Å; G273-P275 WeakPolarHBondContact O-CD 3.46Å
274	M	85.9	Confident	87.8	Confident	34 Å²	34	61 Å²	61	17%	0.167	32%	0.318	C	S	.	.			trans	-77.1	119.7	-178.5	-169.8	61	73.4	0	0	110.4	L272 Q276 Q283 L286 R287	L272-M274 HydrophobicContact CD2-CE 3.67Å; L272-M274 PolarHBondContact O-N 3.44Å; L272-M274 VanDerWaalsContact O-N 3.13Å; M274-Q276 PolarHBondContact O-N 3.04Å; M274-Q276 PolarHBondContact O-NE2 3.24Å; M274-Q283 HydrophobicContact CE-CB 4.18Å; M274-Q283 WeakPolarHBondContact CE-O 3.38Å; M274-Q283 HydrophobicContact CG-CB 4.04Å; M274-Q283 HydrophobicContact CG-CG 3.68Å; M274-Q283 HydrophobicContact SD-CB 3.83Å; M274-Q283 HydrophobicContact SD-CG 3.73Å; M274-L286 HydrophobicContact CE-CB 3.91Å; M274-L286 HydrophobicContact SD-CB 4.42Å; M274-L286 HydrophobicContact SD-CD1 4.03Å; M274-R287 HydrophobicContact CE-CG 3.67Å
275	P	77.6	Confident	88.2	Confident	19 Å²	19	59.7 Å²	59.7	12%	0.123	31%	0.311	C	S	.	.			trans	-68.9	126.5	176.4	-8.5	22.6	0	0	0	110.3	F246 T250 G273 F277 L278	F246-P275 HydrophobicContact CE2-CG 4.02Å; F246-P275 HydrophobicContact CZ-CG 4.2Å; T250-P275 HydrophobicContact CG2-CG 3.62Å; G273-P275 WeakPolarHBondContact O-CD 3.46Å; P275-F277 HydrophobicContact CB-CD1 3.72Å; P275-F277 HydrophobicContact CB-CE1 3.28Å; P275-F277 HydrophobicContact CB-CE2 4.14Å; P275-F277 HydrophobicContact CB-CG 4.33Å; P275-F277 HydrophobicContact CB-CZ 3.51Å; P275-F277 HydrophobicContact CG-CE1 4.32Å; P275-F277 HydrophobicContact CG-CZ 4.18Å; P275-F277 PolarHBondContact O-N 3.16Å; P275-L278 HydrophobicContact CB-CD1 4.26Å; P275-L278 HydrophobicContact CB-CG 4.14Å; P275-L278 HydrophobicContact CG-CD1 3.87Å; P275-L278 HydrophobicContact CG-CG 4.28Å; P275-L278 PolarHBondContact O-N 2.92Å
276	Q	77.1	Confident	88.5	Confident	159 Å²	159	55.7 Å²	55.7	74%	0.743	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-17.1	-175.6	-63	-60.6	-43.6	0	0	113.3	M274 L278	M274-Q276 PolarHBondContact O-N 3.04Å; M274-Q276 PolarHBondContact O-NE2 3.24Å; Q276-L278 VanDerWaalsContact C-N 3.31Å
277	F	72.8	Confident	88.6	Confident	77 Å²	77	58.4 Å²	58.4	34%	0.338	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-12.5	179.7	61.1	-103	0	0	0	113.6	T250 P275 L562 T563	T250-F277 HydrophobicContact CG2-CZ 4.18Å; P275-F277 HydrophobicContact CB-CD1 3.72Å; P275-F277 HydrophobicContact CB-CE1 3.28Å; P275-F277 HydrophobicContact CB-CE2 4.14Å; P275-F277 HydrophobicContact CB-CG 4.33Å; P275-F277 HydrophobicContact CB-CZ 3.51Å; P275-F277 HydrophobicContact CG-CE1 4.32Å; P275-F277 HydrophobicContact CG-CZ 4.18Å; P275-F277 PolarHBondContact O-N 3.16Å; F277-L562 HydrophobicContact CB-CD2 4.47Å; F277-T563 VanDerWaalsContact CE2-OG1 3.3Å; F277-T563 WeakPolarHBondContact CE2-OG1 3.43Å; F277-T563 HydrophobicContact CZ-CG2 4.42Å
278	L	79.7	Confident	88.8	Confident	6 Å²	6	61.8 Å²	61.8	3%	0.031	31%	0.314	C	S	.	.	S	Bend	trans	-77	148.2	177.4	-62.2	-178.1	0	0	0	111	E154 L249 P275 Q276 A282 Q283 L286	E154-L278 WeakPolarHBondContact OE1-CA 3.45Å; L249-L278 HydrophobicContact CB-CD2 3.95Å; L249-L278 HydrophobicContact CD1-CD1 4.21Å; L249-L278 HydrophobicContact CD1-CD2 4.15Å; L249-L278 HydrophobicContact CD2-CD2 4.34Å; L249-L278 HydrophobicContact CG-CD2 4.38Å; P275-L278 HydrophobicContact CB-CD1 4.26Å; P275-L278 HydrophobicContact CB-CG 4.14Å; P275-L278 HydrophobicContact CG-CD1 3.87Å; P275-L278 HydrophobicContact CG-CG 4.28Å; P275-L278 PolarHBondContact O-N 2.92Å; Q276-L278 VanDerWaalsContact C-N 3.31Å; L278-A282 HydrophobicContact CB-CB 4.24Å; L278-Q283 HydrophobicContact CB-CG 3.77Å; L278-Q283 PolarHBondContact O-NE2 2.63Å; L278-L286 HydrophobicContact CD1-CD1 3.66Å
279	S	84.9	Confident	89.1	Confident	33 Å²	33	60 Å²	60	23%	0.231	30%	0.304	C	S	.	.			trans	-56.8	155	173.3	70.3	0	0	0	0	111.9	E154 E281 A282 Q283	E154-S279 PolarHBondContact OE1-N 3.5Å; E154-S279 PolarHBondContact OE1-OG 2.98Å; E154-S279 WeakPolarHBondContact OE2-CB 3.33Å; E154-S279 PolarHBondContact OE2-OG 3.5Å; S279-E281 WeakPolarHBondContact CB-OE2 2.85Å; S279-E281 PolarHBondContact O-N 3.13Å; S279-A282 PolarHBondContact O-N 3.31Å; S279-A282 VanDerWaalsContact OG-CB 3.27Å; S279-A282 WeakPolarHBondContact OG-CB 3.48Å; S279-A282 PolarHBondContact OG-N 3.01Å; S279-Q283 VanDerWaalsContact O-CG 3.28Å; S279-Q283 WeakPolarHBondContact O-CG 3.36Å; S279-Q283 PolarHBondContact O-N 3.2Å
280	L	90.9	Very high	89.4	Confident	124 Å²	124	53 Å²	53	65%	0.649	27%	0.274	S	S	*	.	H	α-helix	trans	-60.5	-33.1	178.5	-67.4	179	0	0	0	111.1	S284	L280-S284 WeakPolarHBondContact O-CB 3.4Å; L280-S284 PolarHBondContact O-N 3.27Å
281	E	93.9	Very high	89.6	Confident	87 Å²	87	56.4 Å²	56.4	41%	0.407	28%	0.284	S	S	.	.	H	α-helix	trans	-65.7	-50.7	175.6	-62.5	70.1	-155	0	0	111	S279 Q283 S284 L285 H311 A312 F313	S279-E281 WeakPolarHBondContact CB-OE2 2.85Å; S279-E281 PolarHBondContact O-N 3.13Å; E281-Q283 PolarHBondContact O-N 3.25Å; E281-S284 WeakPolarHBondContact O-CB 3.31Å; E281-S284 PolarHBondContact O-N 2.96Å; E281-L285 PolarHBondContact O-N 2.99Å; E281-H311 PolarHBondContact O-CE1 2.99Å; E281-H311 VanDerWaalsContact O-CE1 3.29Å; E281-A312 HydrophobicContact CG-CB 4.12Å; E281-F313 HydrophobicContact CB-CB 4.26Å; E281-F313 HydrophobicContact CB-CD2 4.36Å
282	A	92.4	Very high	89.8	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.1	-45.4	177.6	0	0	0	0	0	111.5	M245 L249 L278 S279 S284 L285 L286 F313	M245-A282 HydrophobicContact CE-CB 3.88Å; L249-A282 HydrophobicContact CD1-CB 4.38Å; L278-A282 HydrophobicContact CB-CB 4.24Å; S279-A282 PolarHBondContact O-N 3.31Å; S279-A282 VanDerWaalsContact OG-CB 3.27Å; S279-A282 WeakPolarHBondContact OG-CB 3.48Å; S279-A282 PolarHBondContact OG-N 3.01Å; A282-S284 VanDerWaalsContact C-N 3.29Å; A282-S284 PolarHBondContact O-N 3.01Å; A282-L285 PolarHBondContact O-N 3.43Å; A282-L286 WeakPolarHBondContact O-CG 3.43Å; A282-L286 PolarHBondContact O-N 3.35Å; A282-F313 HydrophobicContact CB-CD2 3.98Å; A282-F313 HydrophobicContact CB-CE2 3.81Å
283	Q	93.1	Very high	89.9	Confident	16 Å²	16	53.3 Å²	53.3	8%	0.075	27%	0.27	C	S	.	.	H	α-helix	trans	-62.3	-38	175.6	-64.4	-176.7	35.5	0	0	112.2	M274 L278 S279 E281 R287	M274-Q283 HydrophobicContact CE-CB 4.18Å; M274-Q283 WeakPolarHBondContact CE-O 3.38Å; M274-Q283 HydrophobicContact CG-CB 4.04Å; M274-Q283 HydrophobicContact CG-CG 3.68Å; M274-Q283 HydrophobicContact SD-CB 3.83Å; M274-Q283 HydrophobicContact SD-CG 3.73Å; L278-Q283 HydrophobicContact CB-CG 3.77Å; L278-Q283 PolarHBondContact O-NE2 2.63Å; S279-Q283 VanDerWaalsContact O-CG 3.28Å; S279-Q283 WeakPolarHBondContact O-CG 3.36Å; S279-Q283 PolarHBondContact O-N 3.2Å; E281-Q283 PolarHBondContact O-N 3.25Å; Q283-R287 WeakPolarHBondContact O-CG 3.32Å; Q283-R287 PolarHBondContact O-N 2.91Å; Q283-R287 PolarHBondContact O-NE 3.45Å
284	S	96.9	Very high	90.2	Very high	39 Å²	39	52.4 Å²	52.4	27%	0.273	25%	0.254	S	S	.	.	H	α-helix	trans	-61.4	-50.2	176.1	-178.1	0	0	0	0	110.6	L280 E281 A282 L286 R287 M288 H311	L280-S284 WeakPolarHBondContact O-CB 3.4Å; L280-S284 PolarHBondContact O-N 3.27Å; E281-S284 WeakPolarHBondContact O-CB 3.31Å; E281-S284 PolarHBondContact O-N 2.96Å; A282-S284 VanDerWaalsContact C-N 3.29Å; A282-S284 PolarHBondContact O-N 3.01Å; S284-L286 PolarHBondContact O-N 3.17Å; S284-R287 WeakPolarHBondContact O-CB 3.44Å; S284-R287 PolarHBondContact O-N 3.36Å; S284-R287 VanDerWaalsContact O-N 3.16Å; S284-M288 WeakPolarHBondContact O-CG 3.21Å; S284-M288 PolarHBondContact O-N 2.58Å; S284-M288 VanDerWaalsContact O-N 3.11Å; S284-H311 PolarHBondContact OG-NE2 3.33Å
285	L	97.7	Very high	90.4	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-58.7	-48.2	179.8	-176.3	54.3	0	0	0	111.2	M245 E281 A282 R287 M288 L289 L298 H311 F313 F314	M245-L285 HydrophobicContact CE-CB 4.15Å; M245-L285 HydrophobicContact CE-CD2 3.91Å; M245-L285 HydrophobicContact CE-CG 4.28Å; M245-L285 HydrophobicContact SD-CB 4.31Å; M245-L285 HydrophobicContact SD-CD2 3.66Å; M245-L285 HydrophobicContact SD-CG 3.89Å; E281-L285 PolarHBondContact O-N 2.99Å; A282-L285 PolarHBondContact O-N 3.43Å; L285-R287 VanDerWaalsContact C-N 3.33Å; L285-R287 PolarHBondContact O-N 3.35Å; L285-M288 PolarHBondContact O-N 2.81Å; L285-L289 HydrophobicContact CD1-CD1 3.98Å; L285-L289 HydrophobicContact CD1-CG 4.09Å; L285-L289 HydrophobicContact CG-CD1 3.87Å; L285-L289 HydrophobicContact CG-CG 4.39Å; L285-L289 WeakPolarHBondContact O-CG 3.41Å; L285-L289 PolarHBondContact O-N 2.69Å; L285-L298 HydrophobicContact CD1-CD2 3.49Å; L285-L298 VanDerWaalsContact CD1-CD2 3.49Å; L285-H311 HydrophobicContact CD1-CB 4.42Å; L285-H311 PolarHBondContact N-CE1 3.16Å; L285-H311 PolarHBondContact N-NE2 3.27Å; L285-F313 HydrophobicContact CB-CB 4.42Å; L285-F313 HydrophobicContact CD2-CB 3.95Å; L285-F313 HydrophobicContact CD2-CD1 3.43Å; L285-F313 VanDerWaalsContact CD2-CD1 3.43Å; L285-F313 HydrophobicContact CD2-CE1 4.12Å; L285-F313 HydrophobicContact CD2-CG 3.83Å; L285-F314 HydrophobicContact CD1-CE2 4.43Å; L285-F314 HydrophobicContact CD2-CD2 4.44Å; L285-F314 HydrophobicContact CD2-CE2 3.55Å; L285-F314 HydrophobicContact CD2-CZ 3.88Å
286	L	96.7	Very high	91.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-57.9	-42.4	176.7	-71.6	171.1	0	0	0	112.3	M245 F246 L249 M274 L278 A282 S284 M288 L289 F290	M245-L286 HydrophobicContact CB-CD2 4.06Å; M245-L286 HydrophobicContact CE-CD2 4.37Å; M245-L286 HydrophobicContact CE-CG 3.99Å; M245-L286 HydrophobicContact CG-CD2 3.76Å; M245-L286 HydrophobicContact CG-CG 4.38Å; M245-L286 HydrophobicContact SD-CD2 3.66Å; M245-L286 HydrophobicContact SD-CG 3.88Å; F246-L286 HydrophobicContact CB-CD2 4.05Å; F246-L286 HydrophobicContact CD2-CD1 4.18Å; F246-L286 HydrophobicContact CD2-CD2 4.48Å; L249-L286 HydrophobicContact CD1-CD1 4.5Å; M274-L286 HydrophobicContact CE-CB 3.91Å; M274-L286 HydrophobicContact SD-CB 4.42Å; M274-L286 HydrophobicContact SD-CD1 4.03Å; L278-L286 HydrophobicContact CD1-CD1 3.66Å; A282-L286 WeakPolarHBondContact O-CG 3.43Å; A282-L286 PolarHBondContact O-N 3.35Å; S284-L286 PolarHBondContact O-N 3.17Å; L286-M288 VanDerWaalsContact C-N 3.26Å; L286-M288 PolarHBondContact O-N 3Å; L286-L289 PolarHBondContact O-N 3.11Å; L286-F290 HydrophobicContact CB-CD2 4.36Å; L286-F290 HydrophobicContact CD2-CD2 4.42Å; L286-F290 HydrophobicContact CD2-CE2 3.86Å; L286-F290 WeakPolarHBondContact O-CB 3.43Å; L286-F290 VanDerWaalsContact O-CD2 3.23Å; L286-F290 WeakPolarHBondContact O-CD2 3.48Å; L286-F290 PolarHBondContact O-N 3.09Å
287	R	95.9	Very high	92	Very high	112 Å²	112	51.3 Å²	51.3	42%	0.423	26%	0.263	S	S	.	.	H	α-helix	trans	-61.9	-33.7	176.1	-78.9	-178.3	-71	-99.1	0.9	112.8	M274 Q283 S284 L285 K291	M274-R287 HydrophobicContact CE-CG 3.67Å; Q283-R287 WeakPolarHBondContact O-CG 3.32Å; Q283-R287 PolarHBondContact O-N 2.91Å; Q283-R287 PolarHBondContact O-NE 3.45Å; S284-R287 WeakPolarHBondContact O-CB 3.44Å; S284-R287 PolarHBondContact O-N 3.36Å; S284-R287 VanDerWaalsContact O-N 3.16Å; L285-R287 VanDerWaalsContact C-N 3.33Å; L285-R287 PolarHBondContact O-N 3.35Å; R287-K291 WeakPolarHBondContact O-CE 3.4Å
288	M	96.4	Very high	93	Very high	71 Å²	71	48.1 Å²	48.1	35%	0.35	25%	0.249	S	C	.	.	H	α-helix	trans	-82.1	-33.9	-178.7	-62.2	-179.8	78.4	0	0	112.4	S284 L285 L286 K291 L298	S284-M288 WeakPolarHBondContact O-CG 3.21Å; S284-M288 PolarHBondContact O-N 2.58Å; S284-M288 VanDerWaalsContact O-N 3.11Å; L285-M288 PolarHBondContact O-N 2.81Å; L286-M288 VanDerWaalsContact C-N 3.26Å; L286-M288 PolarHBondContact O-N 3Å; M288-K291 VanDerWaalsContact O-CG 3.31Å; M288-K291 WeakPolarHBondContact O-CG 3.42Å; M288-L298 HydrophobicContact CB-CB 3.92Å; M288-L298 HydrophobicContact CB-CD2 4.28Å; M288-L298 HydrophobicContact CE-CD1 3.68Å; M288-L298 PolarHBondContact O-N 2.92Å
289	L	96.8	Very high	93.5	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-73.3	-35.6	173.8	-65.9	172.5	0	0	0	112.3	W238 M245 L285 L286 K291 R297 L298	W238-L289 HydrophobicContact CB-CD2 4.17Å; M245-L289 HydrophobicContact SD-CD1 4.45Å; L285-L289 HydrophobicContact CD1-CD1 3.98Å; L285-L289 HydrophobicContact CD1-CG 4.09Å; L285-L289 HydrophobicContact CG-CD1 3.87Å; L285-L289 HydrophobicContact CG-CG 4.39Å; L285-L289 WeakPolarHBondContact O-CG 3.41Å; L285-L289 PolarHBondContact O-N 2.69Å; L286-L289 PolarHBondContact O-N 3.11Å; L289-K291 PolarHBondContact O-N 3.44Å; L289-R297 WeakPolarHBondContact O-CD 3.29Å; L289-R297 VanDerWaalsContact O-CG 3.26Å; L289-R297 WeakPolarHBondContact O-CG 3.25Å; L289-R297 PolarHBondContact O-NE 3.46Å; L289-L298 HydrophobicContact CD2-CB 4.31Å; L289-L298 HydrophobicContact CD2-CD2 4.49Å
290	F	96.2	Very high	93.6	Very high	16 Å²	16	47.8 Å²	47.8	7%	0.07	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	27	178.7	-70.3	-54.9	0	0	0	114.9	W239 G242 V243 F246 P254 F255 L272 L286 R292	W239-F290 AromaticContact CD2-CD1 3.94Å; W239-F290 HydrophobicContact CD2-CD1 3.94Å; W239-F290 HydrophobicContact CD2-CE1 4.3Å; W239-F290 AromaticContact CE2-CD1 3.9Å; W239-F290 AromaticContact CE3-CD1 3.88Å; W239-F290 HydrophobicContact CE3-CD1 3.88Å; W239-F290 AromaticContact CH2-CD1 3.81Å; W239-F290 HydrophobicContact CH2-CD1 3.81Å; W239-F290 AromaticContact CZ2-CD1 3.86Å; W239-F290 HydrophobicContact CZ2-CD1 3.86Å; W239-F290 HydrophobicContact CZ2-CE1 4.2Å; W239-F290 HydrophobicContact CZ3-CB 4.22Å; W239-F290 AromaticContact CZ3-CD1 3.83Å; W239-F290 HydrophobicContact CZ3-CD1 3.83Å; G242-F290 WeakPolarHBondContact O-CZ 3.34Å; V243-F290 HydrophobicContact CG2-CE1 3.72Å; V243-F290 HydrophobicContact CG2-CZ 4.12Å; F246-F290 HydrophobicContact CB-CE2 4.29Å; F246-F290 HydrophobicContact CB-CZ 4.35Å; F246-F290 HydrophobicContact CD2-CE2 4.42Å; P254-F290 HydrophobicContact CB-CE2 4.42Å; P254-F290 HydrophobicContact CB-CZ 4.07Å; P254-F290 HydrophobicContact CG-CE1 4.32Å; P254-F290 HydrophobicContact CG-CZ 3.79Å; F255-F290 HydrophobicContact CE2-CD1 4.1Å; F255-F290 HydrophobicContact CE2-CE1 4.11Å; L272-F290 HydrophobicContact CD1-CD2 3.91Å; L272-F290 HydrophobicContact CD1-CE2 3.88Å; L272-F290 HydrophobicContact CD2-CB 4.35Å; L272-F290 HydrophobicContact CD2-CD2 3.43Å; L272-F290 VanDerWaalsContact CD2-CD2 3.43Å; L272-F290 HydrophobicContact CD2-CE2 4.06Å; L272-F290 HydrophobicContact CD2-CG 4.24Å; L272-F290 HydrophobicContact CG-CD2 4.28Å; L286-F290 HydrophobicContact CB-CD2 4.36Å; L286-F290 HydrophobicContact CD2-CD2 4.42Å; L286-F290 HydrophobicContact CD2-CE2 3.86Å; L286-F290 WeakPolarHBondContact O-CB 3.43Å; L286-F290 VanDerWaalsContact O-CD2 3.23Å; L286-F290 WeakPolarHBondContact O-CD2 3.48Å; L286-F290 PolarHBondContact O-N 3.09Å; F290-R292 PolarHBondContact O-N 3.18Å
291	K	94.9	Very high	93.4	Very high	98 Å²	98	42.9 Å²	42.9	43%	0.426	23%	0.229	S	C	.	.			trans	-71.5	117.7	168.5	-64.2	-70.9	-176	178.6	0	109.3	R287 M288 L289 N296 R297	R287-K291 WeakPolarHBondContact O-CE 3.4Å; M288-K291 VanDerWaalsContact O-CG 3.31Å; M288-K291 WeakPolarHBondContact O-CG 3.42Å; L289-K291 PolarHBondContact O-N 3.44Å; K291-N296 HydrophobicContact CB-CB 4.41Å; K291-N296 WeakPolarHBondContact CG-O 3.44Å; K291-R297 HydrophobicContact CB-CB 4.21Å; K291-R297 PolarHBondContact O-NE 2.91Å; K291-R297 PolarHBondContact O-NH2 3.41Å
292	R	92.7	Very high	92.9	Very high	84 Å²	84	45.1 Å²	45.1	32%	0.317	25%	0.251	S	S	.	.	S	Bend	trans	-65.8	-36.4	-178.5	-72.2	-176.2	159.6	84.2	12.6	113.5	P224 W239 M266 I267 L268 A270 F290 P294	P224-R292 HydrophobicContact CG-CB 4.39Å; P224-R292 HydrophobicContact CG-CG 4.12Å; W239-R292 HydrophobicContact CZ3-CG 4.41Å; M266-R292 PolarHBondContact O-NH2 3.5Å; I267-R292 PolarHBondContact O-NE 3.42Å; I267-R292 PolarHBondContact O-NH2 2.87Å; L268-R292 WeakPolarHBondContact O-CD 3.39Å; L268-R292 PolarHBondContact O-NE 3.37Å; A270-R292 PolarHBondContact O-NH1 3.15Å; A270-R292 PolarHBondContact O-NH2 3.4Å; F290-R292 PolarHBondContact O-N 3.18Å; R292-P294 VanDerWaalsContact O-CD 3.3Å; R292-P294 WeakPolarHBondContact O-CD 3.33Å
293	N	91.5	Very high	92.6	Very high	85 Å²	85	49.1 Å²	49.1	46%	0.455	27%	0.273	S	S	.	.	S	Bend	trans	-75.3	114.4	169.6	-177.1	-4.6	0	0	0	107.9	A295 N296	N293-A295 PolarHBondContact O-N 3.38Å; N293-A295 PolarHBondContact OD1-N 3.44Å; N293-N296 HydrophobicContact CB-CB 4.47Å; N293-N296 PolarHBondContact O-N 3.5Å; N293-N296 VanDerWaalsContact O-N 3.08Å
294	P	91	Very high	92.3	Very high	38 Å²	38	49 Å²	49	25%	0.247	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-58.1	-32.5	-177.7	21.6	-32.8	0	0	0	113	E225 S235 R292 N296 R297 A300	E225-P294 HydrophobicContact CG-CG 4.49Å; S235-P294 WeakPolarHBondContact OG-CB 3.35Å; R292-P294 VanDerWaalsContact O-CD 3.3Å; R292-P294 WeakPolarHBondContact O-CD 3.33Å; P294-N296 PolarHBondContact O-N 2.93Å; P294-R297 VanDerWaalsContact O-CB 3.28Å; P294-R297 WeakPolarHBondContact O-CB 3.11Å; P294-R297 PolarHBondContact O-N 3.21Å; P294-R297 VanDerWaalsContact O-N 3.14Å; P294-A300 WeakPolarHBondContact O-CB 3.27Å
295	A	89.7	Confident	92.1	Very high	74 Å²	74	47.3 Å²	47.3	61%	0.612	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-66.4	-22.3	179.6	0	0	0	0	0	113.9	N293	N293-A295 PolarHBondContact O-N 3.38Å; N293-A295 PolarHBondContact OD1-N 3.44Å
296	N	92.2	Very high	92	Very high	112 Å²	112	51.1 Å²	51.1	60%	0.599	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-98.7	1.9	178.9	-64.5	-12.3	0	0	0	112.2	K291 N293 P294	K291-N296 HydrophobicContact CB-CB 4.41Å; K291-N296 WeakPolarHBondContact CG-O 3.44Å; N293-N296 HydrophobicContact CB-CB 4.47Å; N293-N296 PolarHBondContact O-N 3.5Å; N293-N296 VanDerWaalsContact O-N 3.08Å; P294-N296 PolarHBondContact O-N 2.93Å
297	R	95.2	Very high	92	Very high	3 Å²	3	53.4 Å²	53.4	1%	0.011	29%	0.292	C	S	.	.	S	Bend	trans	-81.4	137.7	-176.4	-166.6	175.7	-60	144.7	5.5	109.7	E225 S235 L289 K291 P294 G299 A300	E225-R297 IonicContact OE1-CZ 3.7Å; E225-R297 IonicContact OE1-NH1 3.78Å; E225-R297 PolarHBondContact OE1-NH1 3.44Å; E225-R297 IonicContact OE1-NH2 3.65Å; E225-R297 PolarHBondContact OE1-NH2 3.45Å; E225-R297 IonicContact OE2-CZ 2.74Å; E225-R297 IonicContact OE2-NH1 3.14Å; E225-R297 IonicContact OE2-NH2 2.74Å; E225-R297 PolarHBondContact OE2-NH2 3.14Å; S235-R297 VanDerWaalsContact C-NH1 3.34Å; S235-R297 WeakPolarHBondContact O-CD 3.04Å; S235-R297 PolarHBondContact O-NH1 2.9Å; L289-R297 WeakPolarHBondContact O-CD 3.29Å; L289-R297 VanDerWaalsContact O-CG 3.26Å; L289-R297 WeakPolarHBondContact O-CG 3.25Å; L289-R297 PolarHBondContact O-NE 3.46Å; K291-R297 HydrophobicContact CB-CB 4.21Å; K291-R297 PolarHBondContact O-NE 2.91Å; K291-R297 PolarHBondContact O-NH2 3.41Å; P294-R297 VanDerWaalsContact O-CB 3.28Å; P294-R297 WeakPolarHBondContact O-CB 3.11Å; P294-R297 PolarHBondContact O-N 3.21Å; P294-R297 VanDerWaalsContact O-N 3.14Å; R297-G299 PolarHBondContact O-N 3.08Å; R297-A300 HydrophobicContact CB-CB 4.36Å; R297-A300 VanDerWaalsContact O-CB 3.22Å; R297-A300 WeakPolarHBondContact O-CB 3.39Å; R297-A300 PolarHBondContact O-N 3.35Å
298	L	94.6	Very high	92	Very high	10 Å²	10	48.1 Å²	48.1	5%	0.052	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	132.1	175.3	-172.3	70.7	0	0	0	110.2	L285 M288 L289 A300 E307 I308	L285-L298 HydrophobicContact CD1-CD2 3.49Å; L285-L298 VanDerWaalsContact CD1-CD2 3.49Å; M288-L298 HydrophobicContact CB-CB 3.92Å; M288-L298 HydrophobicContact CB-CD2 4.28Å; M288-L298 HydrophobicContact CE-CD1 3.68Å; M288-L298 PolarHBondContact O-N 2.92Å; L289-L298 HydrophobicContact CD2-CB 4.31Å; L289-L298 HydrophobicContact CD2-CD2 4.49Å; L298-A300 VanDerWaalsContact C-N 3.33Å; L298-E307 HydrophobicContact CD1-CB 3.58Å; L298-E307 HydrophobicContact CG-CB 4.33Å; L298-I308 HydrophobicContact CD2-CG1 3.97Å; L298-I308 HydrophobicContact CG-CG1 3.87Å
299	G	90.3	Very high	92	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	-2.5	-177.9	0	0	0	0	0	115.1	W238 R297 G304 E307	W238-G299 PolarHBondContact NE1-O 2.7Å; R297-G299 PolarHBondContact O-N 3.08Å; G299-G304 WeakPolarHBondContact CA-O 3.19Å; G299-E307 PolarHBondContact N-OE2 2.98Å
300	A	87.6	Confident	92	Very high	32 Å²	32	53.5 Å²	53.5	26%	0.264	29%	0.289	S	S	.	.			trans	-92.4	-11.8	174.1	0	0	0	0	0	113.5	P294 R297 L298	P294-A300 WeakPolarHBondContact O-CB 3.27Å; R297-A300 HydrophobicContact CB-CB 4.36Å; R297-A300 VanDerWaalsContact O-CB 3.22Å; R297-A300 WeakPolarHBondContact O-CB 3.39Å; R297-A300 PolarHBondContact O-N 3.35Å; L298-A300 VanDerWaalsContact C-N 3.33Å
301	G	85.1	Confident	92.1	Very high	22 Å²	22	53.6 Å²	53.6	23%	0.227	29%	0.29	C	S	.	.	S	Bend	trans	-71.9	176.9	176.7	0	0	0	0	0	113.5	D303 G304	G301-D303 PolarHBondContact O-N 2.81Å; G301-G304 PolarHBondContact O-N 3.03Å
302	P	83.6	Confident	92.2	Very high	134 Å²	134	51.6 Å²	51.6	87%	0.87	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-26.9	-179.2	27.3	-34.9	0	0	0	113	G304	P302-G304 PolarHBondContact O-N 3.35Å
303	D	85.6	Confident	92.4	Very high	84 Å²	84	47.8 Å²	47.8	45%	0.449	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-7.8	176.5	-75	5.6	0	0	0	112.6	G301 V305 E306 E307 R310	G301-D303 PolarHBondContact O-N 2.81Å; D303-V305 PolarHBondContact O-N 2.52Å; D303-E306 HydrophobicContact CB-CB 4.43Å; D303-E306 VanDerWaalsContact O-CB 3.27Å; D303-E306 WeakPolarHBondContact O-CB 3.21Å; D303-E306 PolarHBondContact O-N 2.58Å; D303-E307 HydrophobicContact CB-CG 3.75Å; D303-R310 IonicContact OD2-CZ 3.95Å; D303-R310 IonicContact OD2-NH1 3.86Å; D303-R310 IonicContact OD2-NH2 3.43Å; D303-R310 PolarHBondContact OD2-NH2 3.01Å
304	G	88.1	Confident	92.7	Very high	12 Å²	12	43.9 Å²	43.9	12%	0.124	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	-129.5	174.3	0	0	0	0	0	112.9	G299 G301 P302 E306 E307	G299-G304 WeakPolarHBondContact CA-O 3.19Å; G301-G304 PolarHBondContact O-N 3.03Å; P302-G304 PolarHBondContact O-N 3.35Å; G304-E306 PolarHBondContact O-N 2.96Å; G304-E306 VanDerWaalsContact O-N 3.1Å; G304-E307 PolarHBondContact O-N 2.83Å
305	V	93.4	Very high	92.8	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.03	28%	0.277	C	S	.	.	H	α-helix	trans	-59	-23.8	-179.2	77	0	0	0	0	113.3	A165 D169 W238 D303 E307 I308 K309	A165-V305 HydrophobicContact CB-CG2 4.21Å; D169-V305 HydrophobicContact CB-CB 3.84Å; D169-V305 HydrophobicContact CB-CG1 3.73Å; D169-V305 HydrophobicContact CB-CG2 4.01Å; D169-V305 VanDerWaalsContact OD1-CG1 3.24Å; D169-V305 WeakPolarHBondContact OD1-CG1 3.49Å; D169-V305 WeakPolarHBondContact OD2-CG1 3.33Å; W238-V305 HydrophobicContact CH2-CB 4.23Å; W238-V305 HydrophobicContact CH2-CG2 3.77Å; W238-V305 HydrophobicContact CZ2-CB 4.2Å; W238-V305 HydrophobicContact CZ2-CG2 4.24Å; D303-V305 PolarHBondContact O-N 2.52Å; V305-E307 PolarHBondContact O-N 3.21Å; V305-I308 HydrophobicContact CG2-CB 4.4Å; V305-I308 CarbonylContact O-C 3.55Å; V305-I308 WeakPolarHBondContact O-CA 3.4Å; V305-I308 VanDerWaalsContact O-CB 3.29Å; V305-I308 WeakPolarHBondContact O-CB 3.49Å; V305-I308 PolarHBondContact O-N 3.39Å; V305-K309 HydrophobicContact CG1-CD 4.41Å; V305-K309 HydrophobicContact CG2-CG 4.33Å; V305-K309 PolarHBondContact O-N 3.46Å
306	E	95.4	Very high	92.9	Very high	80 Å²	80	47.5 Å²	47.5	37%	0.374	27%	0.274	S	S	.	.	H	α-helix	trans	-63.8	-27.6	-177.1	-62.9	-59.6	128.3	0	0	111.6	D303 G304 I308 K309 R310	D303-E306 HydrophobicContact CB-CB 4.43Å; D303-E306 VanDerWaalsContact O-CB 3.27Å; D303-E306 WeakPolarHBondContact O-CB 3.21Å; D303-E306 PolarHBondContact O-N 2.58Å; G304-E306 PolarHBondContact O-N 2.96Å; G304-E306 VanDerWaalsContact O-N 3.1Å; E306-I308 VanDerWaalsContact C-N 3.31Å; E306-I308 PolarHBondContact O-N 2.89Å; E306-K309 PolarHBondContact O-N 2.97Å; E306-K309 WeakPolarHBondContact OE1-CD 3.2Å; E306-K309 WeakPolarHBondContact OE1-CE 3.42Å; E306-K309 IonicContact OE1-NZ 3.7Å; E306-K309 PolarHBondContact OE1-NZ 3.33Å; E306-R310 WeakPolarHBondContact O-CB 3.45Å; E306-R310 VanDerWaalsContact O-CG 3.29Å; E306-R310 WeakPolarHBondContact O-CG 3.35Å; E306-R310 PolarHBondContact O-N 2.95Å; E306-R310 PolarHBondContact O-NE 3.43Å
307	E	95	Very high	93.1	Very high	48 Å²	48	43.2 Å²	43.2	22%	0.224	25%	0.251	C	S	.	.	H	α-helix	trans	-63.4	-38.4	170.4	-57.2	-178.1	171.5	0	0	112	L298 G299 D303 G304 V305 H311	L298-E307 HydrophobicContact CD1-CB 3.58Å; L298-E307 HydrophobicContact CG-CB 4.33Å; G299-E307 PolarHBondContact N-OE2 2.98Å; D303-E307 HydrophobicContact CB-CG 3.75Å; G304-E307 PolarHBondContact O-N 2.83Å; V305-E307 PolarHBondContact O-N 3.21Å; E307-H311 PolarHBondContact O-N 3.06Å
308	I	95.8	Very high	93.2	Very high	1 Å²	1	46 Å²	46	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-69.4	-46.3	176.3	-61.1	174	0	0	0	109.5	A165 W238 L298 V305 E306 R310 H311 F314	A165-I308 HydrophobicContact CB-CG2 4.43Å; W238-I308 HydrophobicContact CD2-CD1 3.4Å; W238-I308 VanDerWaalsContact CD2-CD1 3.4Å; W238-I308 HydrophobicContact CE3-CD1 3.21Å; W238-I308 HydrophobicContact CG-CD1 4.17Å; W238-I308 HydrophobicContact CH2-CD1 3.6Å; W238-I308 HydrophobicContact CZ2-CD1 3.75Å; W238-I308 HydrophobicContact CZ3-CD1 3.31Å; L298-I308 HydrophobicContact CD2-CG1 3.97Å; L298-I308 HydrophobicContact CG-CG1 3.87Å; V305-I308 HydrophobicContact CG2-CB 4.4Å; V305-I308 CarbonylContact O-C 3.55Å; V305-I308 WeakPolarHBondContact O-CA 3.4Å; V305-I308 VanDerWaalsContact O-CB 3.29Å; V305-I308 WeakPolarHBondContact O-CB 3.49Å; V305-I308 PolarHBondContact O-N 3.39Å; E306-I308 VanDerWaalsContact C-N 3.31Å; E306-I308 PolarHBondContact O-N 2.89Å; I308-R310 VanDerWaalsContact C-N 3.26Å; I308-R310 PolarHBondContact O-N 2.97Å; I308-H311 WeakPolarHBondContact O-CB 3.34Å; I308-H311 PolarHBondContact O-N 3.47Å; I308-F314 HydrophobicContact CG2-CD2 4.24Å; I308-F314 HydrophobicContact CG2-CE2 3.63Å; I308-F314 HydrophobicContact CG2-CZ 4.28Å; I308-F314 VanDerWaalsContact O-CD2 3.25Å; I308-F314 WeakPolarHBondContact O-CD2 3.32Å
309	K	96.9	Very high	93.3	Very high	36 Å²	36	47.2 Å²	47.2	16%	0.157	27%	0.271	C	S	.	.	H	α-helix	trans	-60.2	-34.4	-179.5	-63.3	-174.6	-171.2	156.6	0	113.3	D169 V305 E306 W319	D169-K309 IonicContact OD2-NZ 2.68Å; V305-K309 HydrophobicContact CG1-CD 4.41Å; V305-K309 HydrophobicContact CG2-CG 4.33Å; V305-K309 PolarHBondContact O-N 3.46Å; E306-K309 PolarHBondContact O-N 2.97Å; E306-K309 WeakPolarHBondContact OE1-CD 3.2Å; E306-K309 WeakPolarHBondContact OE1-CE 3.42Å; E306-K309 IonicContact OE1-NZ 3.7Å; E306-K309 PolarHBondContact OE1-NZ 3.33Å; K309-W319 VanDerWaalsContact CA-CZ2 3.46Å; K309-W319 HydrophobicContact CB-CD2 4.16Å; K309-W319 HydrophobicContact CB-CH2 4.47Å; K309-W319 HydrophobicContact CB-CZ2 3.83Å; K309-W319 HydrophobicContact CD-CD2 3.87Å; K309-W319 HydrophobicContact CD-CE3 4.05Å; K309-W319 HydrophobicContact CD-CG 4.13Å; K309-W319 HydrophobicContact CG-CD2 3.71Å; K309-W319 HydrophobicContact CG-CE3 3.89Å; K309-W319 HydrophobicContact CG-CG 4.35Å; K309-W319 HydrophobicContact CG-CH2 3.89Å; K309-W319 HydrophobicContact CG-CZ2 3.72Å; K309-W319 HydrophobicContact CG-CZ3 3.96Å; K309-W319 PolarHBondContact O-NE1 3.35Å
310	R	96.6	Very high	93.6	Very high	150 Å²	150	52.5 Å²	52.5	57%	0.566	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-10.7	177.9	-70.2	-174.4	-59.3	-109.8	9.9	114.4	D303 E306 I308	D303-R310 IonicContact OD2-CZ 3.95Å; D303-R310 IonicContact OD2-NH1 3.86Å; D303-R310 IonicContact OD2-NH2 3.43Å; D303-R310 PolarHBondContact OD2-NH2 3.01Å; E306-R310 WeakPolarHBondContact O-CB 3.45Å; E306-R310 VanDerWaalsContact O-CG 3.29Å; E306-R310 WeakPolarHBondContact O-CG 3.35Å; E306-R310 PolarHBondContact O-N 2.95Å; E306-R310 PolarHBondContact O-NE 3.43Å; I308-R310 VanDerWaalsContact C-N 3.26Å; I308-R310 PolarHBondContact O-N 2.97Å
311	H	98	Very high	94	Very high	18 Å²	18	55.3 Å²	55.3	8%	0.083	31%	0.305	C	S	.	.	S	Bend	trans	-65.7	138	-177.9	-172.2	-83.5	0	0	0	110.9	E281 S284 L285 E307 I308 F313 F314	E281-H311 PolarHBondContact O-CE1 2.99Å; E281-H311 VanDerWaalsContact O-CE1 3.29Å; S284-H311 PolarHBondContact OG-NE2 3.33Å; L285-H311 HydrophobicContact CD1-CB 4.42Å; L285-H311 PolarHBondContact N-CE1 3.16Å; L285-H311 PolarHBondContact N-NE2 3.27Å; E307-H311 PolarHBondContact O-N 3.06Å; I308-H311 WeakPolarHBondContact O-CB 3.34Å; I308-H311 PolarHBondContact O-N 3.47Å; H311-F313 VanDerWaalsContact ND1-CB 3.34Å; H311-F313 WeakPolarHBondContact ND1-CB 3.38Å; H311-F313 PolarHBondContact ND1-N 3.06Å; H311-F313 VanDerWaalsContact ND1-N 3.19Å; H311-F313 PolarHBondContact O-N 3.32Å; H311-F314 HydrophobicContact CB-CD2 4.37Å; H311-F314 PolarHBondContact O-N 3.3Å
312	A	97.1	Very high	94.6	Very high	56 Å²	56	54.3 Å²	54.3	46%	0.463	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-55.2	-30	-173.3	0	0	0	0	0	114.3	E281 F314 S315	E281-A312 HydrophobicContact CG-CB 4.12Å; A312-F314 PolarHBondContact O-N 3.14Å; A312-S315 WeakPolarHBondContact O-CB 3.48Å; A312-S315 PolarHBondContact O-N 3.46Å; A312-S315 VanDerWaalsContact O-N 3.08Å; A312-S315 PolarHBondContact O-OG 3.06Å
313	F	97.1	Very high	95.1	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.018	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-54.3	-35.1	173	-174.9	-104.9	0	0	0	112.7	E154 K158 L161 M245 E281 A282 L285 H311	E154-F313 HydrophobicContact CB-CE2 4.39Å; K158-F313 HydrophobicContact CB-CD1 4.38Å; K158-F313 HydrophobicContact CB-CE1 3.65Å; K158-F313 HydrophobicContact CB-CZ 3.79Å; K158-F313 WeakPolarHBondContact CD-O 3.19Å; K158-F313 WeakPolarHBondContact CE-O 3.33Å; K158-F313 HydrophobicContact CG-CD1 4.14Å; K158-F313 HydrophobicContact CG-CE1 3.91Å; K158-F313 HydrophobicContact CG-CZ 4.39Å; K158-F313 WeakPolarHBondContact CG-O 3.11Å; L161-F313 HydrophobicContact CD1-CE1 4.26Å; M245-F313 HydrophobicContact CE-CD1 4.48Å; M245-F313 HydrophobicContact CE-CD2 4.39Å; M245-F313 HydrophobicContact CE-CE1 4.12Å; M245-F313 HydrophobicContact CE-CE2 4.05Å; M245-F313 HydrophobicContact CE-CZ 3.91Å; E281-F313 HydrophobicContact CB-CB 4.26Å; E281-F313 HydrophobicContact CB-CD2 4.36Å; A282-F313 HydrophobicContact CB-CD2 3.98Å; A282-F313 HydrophobicContact CB-CE2 3.81Å; L285-F313 HydrophobicContact CB-CB 4.42Å; L285-F313 HydrophobicContact CD2-CB 3.95Å; L285-F313 HydrophobicContact CD2-CD1 3.43Å; L285-F313 VanDerWaalsContact CD2-CD1 3.43Å; L285-F313 HydrophobicContact CD2-CE1 4.12Å; L285-F313 HydrophobicContact CD2-CG 3.83Å; H311-F313 VanDerWaalsContact ND1-CB 3.34Å; H311-F313 WeakPolarHBondContact ND1-CB 3.38Å; H311-F313 PolarHBondContact ND1-N 3.06Å; H311-F313 VanDerWaalsContact ND1-N 3.19Å; H311-F313 PolarHBondContact O-N 3.32Å
314	F	97.6	Very high	95.6	Very high	2 Å²	2	55 Å²	55	1%	0.009	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-96.8	13	179.9	-60	-75.7	0	0	0	114	K158 L161 A162 L285 I308 H311 A312 T316 I317 W319	K158-F314 HydrophobicContact CG-CD1 3.78Å; K158-F314 HydrophobicContact CG-CE1 4.24Å; L161-F314 HydrophobicContact CB-CE1 3.98Å; L161-F314 HydrophobicContact CB-CZ 4.06Å; A162-F314 HydrophobicContact CB-CD1 4.09Å; A162-F314 HydrophobicContact CB-CE1 4.12Å; L285-F314 HydrophobicContact CD1-CE2 4.43Å; L285-F314 HydrophobicContact CD2-CD2 4.44Å; L285-F314 HydrophobicContact CD2-CE2 3.55Å; L285-F314 HydrophobicContact CD2-CZ 3.88Å; I308-F314 HydrophobicContact CG2-CD2 4.24Å; I308-F314 HydrophobicContact CG2-CE2 3.63Å; I308-F314 HydrophobicContact CG2-CZ 4.28Å; I308-F314 VanDerWaalsContact O-CD2 3.25Å; I308-F314 WeakPolarHBondContact O-CD2 3.32Å; H311-F314 HydrophobicContact CB-CD2 4.37Å; H311-F314 PolarHBondContact O-N 3.3Å; A312-F314 PolarHBondContact O-N 3.14Å; F314-T316 PolarHBondContact O-N 2.86Å; F314-I317 HydrophobicContact CD1-CG1 4.4Å; F314-I317 WeakPolarHBondContact O-CB 3.28Å; F314-I317 PolarHBondContact O-N 2.77Å; F314-W319 HydrophobicContact CB-CH2 4.49Å; F314-W319 HydrophobicContact CB-CZ2 3.6Å; F314-W319 HydrophobicContact CD1-CH2 4.09Å; F314-W319 AromaticContact CD1-CZ2 3.99Å; F314-W319 HydrophobicContact CD1-CZ2 3.99Å; F314-W319 HydrophobicContact CD2-CZ2 4.26Å; F314-W319 HydrophobicContact CE1-CH2 4.45Å; F314-W319 HydrophobicContact CG-CH2 4.15Å; F314-W319 AromaticContact CG-CZ2 3.71Å; F314-W319 HydrophobicContact CG-CZ2 3.71Å
315	S	94	Very high	95.9	Very high	96 Å²	96	59.3 Å²	59.3	67%	0.671	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.6	-174	53.8	0	0	0	0	115	A312	A312-S315 WeakPolarHBondContact O-CB 3.48Å; A312-S315 PolarHBondContact O-N 3.46Å; A312-S315 VanDerWaalsContact O-N 3.08Å; A312-S315 PolarHBondContact O-OG 3.06Å
316	T	92.8	Very high	95.8	Very high	92 Å²	92	64.2 Å²	64.2	56%	0.564	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-5.6	179.4	55.8	0	0	0	0	113.9	K158 F314	K158-T316 WeakPolarHBondContact CD-OG1 3.14Å; K158-T316 PolarHBondContact NZ-OG1 2.84Å; F314-T316 PolarHBondContact O-N 2.86Å
317	I	96.4	Very high	95.4	Very high	23 Å²	23	62.4 Å²	62.4	12%	0.118	30%	0.304	C	S	.	.			trans	-89.3	121	-176.8	-60.9	-61.9	0	0	0	110.5	K158 A162 F314 W319 L322	K158-I317 HydrophobicContact CD-CD1 4.15Å; K158-I317 HydrophobicContact CD-CG1 3.94Å; K158-I317 HydrophobicContact CG-CD1 4.21Å; K158-I317 HydrophobicContact CG-CG1 3.93Å; A162-I317 HydrophobicContact CB-CG1 4.36Å; A162-I317 HydrophobicContact CB-CG2 4.07Å; F314-I317 HydrophobicContact CD1-CG1 4.4Å; F314-I317 WeakPolarHBondContact O-CB 3.28Å; F314-I317 PolarHBondContact O-N 2.77Å; I317-W319 HydrophobicContact CG2-CD2 4.1Å; I317-W319 HydrophobicContact CG2-CG 4.31Å; I317-W319 PolarHBondContact O-N 3.45Å; I317-L322 HydrophobicContact CG2-CB 4.49Å; I317-L322 HydrophobicContact CG2-CD2 3.96Å
318	D	96.4	Very high	94.8	Very high	62 Å²	62	68.6 Å²	68.6	33%	0.332	33%	0.333	S	S	.	.			trans	-83.9	97.9	163.4	-174.7	-31.3	0	0	0	109.1	N320 K321 L322	D318-N320 PolarHBondContact O-N 3.13Å; D318-N320 PolarHBondContact OD1-N 3.05Å; D318-N320 VanDerWaalsContact OD1-N 3.14Å; D318-K321 HydrophobicContact CB-CB 4.03Å; D318-K321 HydrophobicContact CB-CD 4.07Å; D318-K321 HydrophobicContact CB-CG 4.15Å; D318-K321 VanDerWaalsContact CG-CG 3.46Å; D318-K321 PolarHBondContact O-N 2.83Å; D318-K321 PolarHBondContact OD1-N 3.17Å; D318-K321 VanDerWaalsContact OD2-CD 3.23Å; D318-K321 WeakPolarHBondContact OD2-CD 3.14Å; D318-K321 VanDerWaalsContact OD2-CE 3.24Å; D318-K321 WeakPolarHBondContact OD2-CE 3.24Å; D318-K321 WeakPolarHBondContact OD2-CG 3.42Å; D318-K321 IonicContact OD2-NZ 3.94Å; D318-L322 WeakPolarHBondContact O-CB 3.38Å; D318-L322 PolarHBondContact O-N 3.02Å
319	W	97.1	Very high	94.3	Very high	35 Å²	35	69.7 Å²	69.7	13%	0.133	34%	0.34	C	S	.	.	H	α-helix	trans	-59.4	-32.1	-176.2	-65.1	92.4	0	0	0	113.8	A162 A165 L166 K309 F314 I317 F323	A162-W319 HydrophobicContact CB-CE3 4.41Å; A162-W319 HydrophobicContact CB-CH2 3.68Å; A162-W319 HydrophobicContact CB-CZ2 4.41Å; A162-W319 HydrophobicContact CB-CZ3 3.69Å; A162-W319 WeakPolarHBondContact O-CZ3 3.27Å; A165-W319 HydrophobicContact CB-CH2 4.37Å; A165-W319 HydrophobicContact CB-CZ3 4.25Å; L166-W319 HydrophobicContact CD1-CE3 4.19Å; L166-W319 HydrophobicContact CD2-CE3 3.96Å; L166-W319 HydrophobicContact CD2-CZ3 4.46Å; L166-W319 HydrophobicContact CG-CE3 3.92Å; L166-W319 HydrophobicContact CG-CZ3 4.13Å; K309-W319 VanDerWaalsContact CA-CZ2 3.46Å; K309-W319 HydrophobicContact CB-CD2 4.16Å; K309-W319 HydrophobicContact CB-CH2 4.47Å; K309-W319 HydrophobicContact CB-CZ2 3.83Å; K309-W319 HydrophobicContact CD-CD2 3.87Å; K309-W319 HydrophobicContact CD-CE3 4.05Å; K309-W319 HydrophobicContact CD-CG 4.13Å; K309-W319 HydrophobicContact CG-CD2 3.71Å; K309-W319 HydrophobicContact CG-CE3 3.89Å; K309-W319 HydrophobicContact CG-CG 4.35Å; K309-W319 HydrophobicContact CG-CH2 3.89Å; K309-W319 HydrophobicContact CG-CZ2 3.72Å; K309-W319 HydrophobicContact CG-CZ3 3.96Å; K309-W319 PolarHBondContact O-NE1 3.35Å; F314-W319 HydrophobicContact CB-CH2 4.49Å; F314-W319 HydrophobicContact CB-CZ2 3.6Å; F314-W319 HydrophobicContact CD1-CH2 4.09Å; F314-W319 AromaticContact CD1-CZ2 3.99Å; F314-W319 HydrophobicContact CD1-CZ2 3.99Å; F314-W319 HydrophobicContact CD2-CZ2 4.26Å; F314-W319 HydrophobicContact CE1-CH2 4.45Å; F314-W319 HydrophobicContact CG-CH2 4.15Å; F314-W319 AromaticContact CG-CZ2 3.71Å; F314-W319 HydrophobicContact CG-CZ2 3.71Å; I317-W319 HydrophobicContact CG2-CD2 4.1Å; I317-W319 HydrophobicContact CG2-CG 4.31Å; I317-W319 PolarHBondContact O-N 3.45Å; W319-F323 WeakPolarHBondContact O-CB 3.22Å; W319-F323 PolarHBondContact O-N 3.43Å
320	N	96.3	Very high	93.4	Very high	111 Å²	111	70.2 Å²	70.2	59%	0.594	35%	0.347	S	S	*	.	H	α-helix	trans	-74.3	-43.9	179.8	-72.3	-43.4	0	0	0	110.9	D318 L322 F323 R324	D318-N320 PolarHBondContact O-N 3.13Å; D318-N320 PolarHBondContact OD1-N 3.05Å; D318-N320 VanDerWaalsContact OD1-N 3.14Å; N320-L322 VanDerWaalsContact C-N 3.3Å; N320-F323 PolarHBondContact O-N 3.36Å; N320-R324 WeakPolarHBondContact O-CG 3.44Å; N320-R324 PolarHBondContact O-N 3.2Å; N320-R324 VanDerWaalsContact O-N 3.1Å
321	K	96.6	Very high	92.3	Very high	91 Å²	91	63.7 Å²	63.7	40%	0.396	32%	0.323	S	S	.	.	H	α-helix	trans	-63.9	-38.7	172.7	-68.8	-175	-176.7	173.3	0	111.4	D318 R324 R325 E326 L327	D318-K321 HydrophobicContact CB-CB 4.03Å; D318-K321 HydrophobicContact CB-CD 4.07Å; D318-K321 HydrophobicContact CB-CG 4.15Å; D318-K321 VanDerWaalsContact CG-CG 3.46Å; D318-K321 PolarHBondContact O-N 2.83Å; D318-K321 PolarHBondContact OD1-N 3.17Å; D318-K321 VanDerWaalsContact OD2-CD 3.23Å; D318-K321 WeakPolarHBondContact OD2-CD 3.14Å; D318-K321 VanDerWaalsContact OD2-CE 3.24Å; D318-K321 WeakPolarHBondContact OD2-CE 3.24Å; D318-K321 WeakPolarHBondContact OD2-CG 3.42Å; D318-K321 IonicContact OD2-NZ 3.94Å; K321-R324 CarbonylContact O-C 3.59Å; K321-R324 PolarHBondContact O-N 2.81Å; K321-R325 PolarHBondContact O-N 3.27Å; K321-R325 VanDerWaalsContact O-N 3.11Å; K321-E326 HydrophobicContact CB-CB 4.08Å; K321-E326 HydrophobicContact CG-CB 4.49Å; K321-E326 WeakPolarHBondContact CG-OE2 3.48Å; K321-E326 PolarHBondContact O-N 3.22Å; K321-L327 HydrophobicContact CB-CD2 3.86Å; K321-L327 HydrophobicContact CB-CG 3.88Å; K321-L327 HydrophobicContact CD-CD2 4.16Å
322	L	96.1	Very high	91.2	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-60.6	-51.8	176	-172	66.5	0	0	0	110.7	F116 F159 A162 E163 L166 I317 D318 N320 R324 R325 L327	F116-L322 HydrophobicContact CE2-CG 4.44Å; F116-L322 HydrophobicContact CZ-CG 4.32Å; F116-L322 VanDerWaalsContact CZ-O 3.32Å; F116-L322 WeakPolarHBondContact CZ-O 3.36Å; F159-L322 HydrophobicContact CD2-CD1 4.2Å; F159-L322 HydrophobicContact CE1-CD1 4.49Å; F159-L322 HydrophobicContact CE2-CD1 3.65Å; F159-L322 HydrophobicContact CZ-CD1 3.81Å; A162-L322 HydrophobicContact CB-CD2 3.4Å; A162-L322 VanDerWaalsContact CB-CD2 3.4Å; E163-L322 HydrophobicContact CG-CD1 3.8Å; E163-L322 HydrophobicContact CG-CD2 4.12Å; E163-L322 HydrophobicContact CG-CG 4.12Å; L166-L322 HydrophobicContact CD1-CB 4.43Å; L166-L322 HydrophobicContact CD1-CD2 3.95Å; L166-L322 HydrophobicContact CD1-CG 4.19Å; I317-L322 HydrophobicContact CG2-CB 4.49Å; I317-L322 HydrophobicContact CG2-CD2 3.96Å; D318-L322 WeakPolarHBondContact O-CB 3.38Å; D318-L322 PolarHBondContact O-N 3.02Å; N320-L322 VanDerWaalsContact C-N 3.3Å; L322-R324 VanDerWaalsContact C-N 3.26Å; L322-R324 PolarHBondContact O-N 3.36Å; L322-R325 WeakPolarHBondContact O-CA 3.42Å; L322-R325 PolarHBondContact O-N 2.83Å; L322-L327 HydrophobicContact CB-CD1 3.95Å; L322-L327 HydrophobicContact CD1-CB 4.39Å; L322-L327 HydrophobicContact CD1-CD1 4.1Å
323	F	95.4	Very high	89.9	Confident	98 Å²	98	67 Å²	67	43%	0.43	33%	0.328	S	S	.	.	H	α-helix	trans	-57.2	-38.4	177.9	-178.7	-96.4	0	0	0	112.8	H114 P115 L166 W319 N320 R325	H114-F323 AromaticContact CD2-CE2 3.71Å; H114-F323 AromaticContact NE2-CD2 3.79Å; H114-F323 AromaticContact NE2-CE2 3.43Å; H114-F323 WeakPolarHBondContact NE2-CE2 3.42Å; P115-F323 HydrophobicContact CG-CD2 4.07Å; P115-F323 HydrophobicContact CG-CE2 3.97Å; P115-F323 HydrophobicContact CG-CZ 4.43Å; L166-F323 HydrophobicContact CD1-CB 4.15Å; W319-F323 WeakPolarHBondContact O-CB 3.22Å; W319-F323 PolarHBondContact O-N 3.43Å; N320-F323 PolarHBondContact O-N 3.36Å; F323-R325 PolarHBondContact O-N 2.78Å
324	R	94.8	Very high	88.1	Confident	134 Å²	134	67.9 Å²	67.9	51%	0.506	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	1.4	175.2	-66.3	-167.2	-56.4	-90.1	-8.8	114.3	N320 K321 L322 E326	N320-R324 WeakPolarHBondContact O-CG 3.44Å; N320-R324 PolarHBondContact O-N 3.2Å; N320-R324 VanDerWaalsContact O-N 3.1Å; K321-R324 CarbonylContact O-C 3.59Å; K321-R324 PolarHBondContact O-N 2.81Å; L322-R324 VanDerWaalsContact C-N 3.26Å; L322-R324 PolarHBondContact O-N 3.36Å; R324-E326 VanDerWaalsContact C-N 3.25Å; R324-E326 HydrophobicContact CB-CG 3.96Å; R324-E326 IonicContact CZ-OE1 3.8Å; R324-E326 IonicContact CZ-OE2 3.91Å; R324-E326 VanDerWaalsContact NE-CD 3.34Å; R324-E326 IonicContact NE-OE1 3.72Å; R324-E326 PolarHBondContact NE-OE1 3.3Å; R324-E326 IonicContact NE-OE2 2.82Å; R324-E326 PolarHBondContact NE-OE2 3.41Å; R324-E326 IonicContact NH2-OE1 3.76Å; R324-E326 IonicContact NH2-OE2 2.72Å; R324-E326 PolarHBondContact NH2-OE2 3.14Å; R324-E326 PolarHBondContact O-N 3.2Å
325	R	94.5	Very high	86.1	Confident	103 Å²	103	71.6 Å²	71.6	39%	0.389	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	35.9	-177.5	-59	171.4	65.2	-153.1	1	113	P115 F116 D189 H193 K321 L322 F323	P115-R325 HydrophobicContact CB-CG 4.39Å; F116-R325 HydrophobicContact CE1-CG 4.02Å; F116-R325 HydrophobicContact CZ-CG 4.22Å; D189-R325 IonicContact OD2-CZ 3.98Å; D189-R325 IonicContact OD2-NE 2.66Å; D189-R325 IonicContact OD2-NH2 3.96Å; D189-R325 PolarHBondContact OD2-NH2 3.4Å; H193-R325 PolarHBondContact CD2-NE 3.3Å; K321-R325 PolarHBondContact O-N 3.27Å; K321-R325 VanDerWaalsContact O-N 3.11Å; L322-R325 WeakPolarHBondContact O-CA 3.42Å; L322-R325 PolarHBondContact O-N 2.83Å; F323-R325 PolarHBondContact O-N 2.78Å
326	E	91.4	Very high	84.3	Confident	108 Å²	108	68.1 Å²	68.1	51%	0.505	35%	0.346	S	S	.	.			trans	-90.8	-14.2	177.5	-67.8	170.4	-174.6	0	0	112.6	K321 R324	K321-E326 HydrophobicContact CB-CB 4.08Å; K321-E326 HydrophobicContact CG-CB 4.49Å; K321-E326 WeakPolarHBondContact CG-OE2 3.48Å; K321-E326 PolarHBondContact O-N 3.22Å; R324-E326 VanDerWaalsContact C-N 3.25Å; R324-E326 HydrophobicContact CB-CG 3.96Å; R324-E326 IonicContact CZ-OE1 3.8Å; R324-E326 IonicContact CZ-OE2 3.91Å; R324-E326 VanDerWaalsContact NE-CD 3.34Å; R324-E326 IonicContact NE-OE1 3.72Å; R324-E326 PolarHBondContact NE-OE1 3.3Å; R324-E326 IonicContact NE-OE2 2.82Å; R324-E326 PolarHBondContact NE-OE2 3.41Å; R324-E326 IonicContact NH2-OE1 3.76Å; R324-E326 IonicContact NH2-OE2 2.72Å; R324-E326 PolarHBondContact NH2-OE2 3.14Å; R324-E326 PolarHBondContact O-N 3.2Å
327	L	87	Confident	82.6	Confident	43 Å²	43	66.7 Å²	66.7	23%	0.225	33%	0.332	C	S	.	.	S	Bend	trans	-86.8	133.2	172.7	-59.7	-174.9	0	0	0	109.7	F159 H193 K321 L322 P329	F159-L327 HydrophobicContact CE2-CB 3.91Å; H193-L327 PolarHBondContact CE1-O 3.23Å; K321-L327 HydrophobicContact CB-CD2 3.86Å; K321-L327 HydrophobicContact CB-CG 3.88Å; K321-L327 HydrophobicContact CD-CD2 4.16Å; L322-L327 HydrophobicContact CB-CD1 3.95Å; L322-L327 HydrophobicContact CD1-CB 4.39Å; L322-L327 HydrophobicContact CD1-CD1 4.1Å; L327-P329 WeakPolarHBondContact O-CD 3.43Å
328	Q	83.7	Confident	80.7	Confident	177 Å²	177	68.6 Å²	68.6	83%	0.827	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-71.6	129.4	178.3	-71	-162.3	-11.2	0	0	111
329	P	85.6	Confident	78.9	Confident	25 Å²	25	67.7 Å²	67.7	16%	0.162	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-60.9	146.7	173.4	-27.2	37.4	0	0	0	112.7	F159 A191 G192 H193 L327 F331	F159-P329 HydrophobicContact CE1-CB 4.05Å; F159-P329 HydrophobicContact CE1-CG 4.32Å; F159-P329 HydrophobicContact CZ-CB 4.14Å; F159-P329 HydrophobicContact CZ-CG 4.09Å; A191-P329 WeakPolarHBondContact O-CG 3.35Å; G192-P329 WeakPolarHBondContact O-CB 3.39Å; H193-P329 VanDerWaalsContact CE1-CG 3.49Å; H193-P329 WeakPolarHBondContact CE1-CG 3.42Å; H193-P329 WeakPolarHBondContact NE2-CG 3.29Å; L327-P329 WeakPolarHBondContact O-CD 3.43Å; P329-F331 PolarHBondContact O-N 3.27Å
330	P	77.5	Confident	77.4	Confident	47 Å²	47	66.9 Å²	66.9	31%	0.305	34%	0.339	S	S	.	.	S	Bend	trans	-60.6	-25.7	176.5	-21.4	29.5	0	0	0	113.7	D156 F159 Y160	D156-P330 HydrophobicContact CB-CB 4.17Å; D156-P330 HydrophobicContact CB-CG 4.29Å; D156-P330 WeakPolarHBondContact OD1-CB 3.47Å; F159-P330 HydrophobicContact CB-CG 3.75Å; F159-P330 HydrophobicContact CD1-CG 3.95Å; F159-P330 HydrophobicContact CD2-CG 4.47Å; F159-P330 HydrophobicContact CG-CG 3.81Å; Y160-P330 HydrophobicContact CE2-CG 4.24Å
331	F	74	Confident	75.6	Confident	12 Å²	12	62.2 Å²	62.2	5%	0.053	32%	0.315	C	S	.	.			trans	-135.4	126.9	-179.5	170.1	-97.6	0	0	0	110.4	R145 E149 Y160 L188 G192 P329 P333	R145-F331 VanDerWaalsContact CD-CZ 3.46Å; R145-F331 HydrophobicContact CG-CD1 4.31Å; R145-F331 HydrophobicContact CG-CE1 3.64Å; R145-F331 HydrophobicContact CG-CE2 4.19Å; R145-F331 HydrophobicContact CG-CZ 3.59Å; E149-F331 WeakPolarHBondContact OE1-CE2 3.27Å; Y160-F331 WeakPolarHBondContact OH-CB 3.17Å; Y160-F331 PolarHBondContact OH-N 2.91Å; L188-F331 HydrophobicContact CD1-CD1 4.01Å; L188-F331 HydrophobicContact CD1-CE1 4.19Å; G192-F331 VanDerWaalsContact CA-O 3.22Å; G192-F331 WeakPolarHBondContact CA-O 3.48Å; P329-F331 PolarHBondContact O-N 3.27Å; F331-P333 HydrophobicContact CD1-CG 4.34Å; F331-P333 HydrophobicContact CE1-CB 4.11Å; F331-P333 HydrophobicContact CE1-CG 3.77Å
332	K	73.9	Confident	73.9	Confident	137 Å²	137	61.6 Å²	61.6	60%	0.596	31%	0.312	S	S	*	.			trans	-105.6	119.8	171.6	-172.1	175.1	-179.1	179.8	0	110.1	R455	K332-R455 PolarHBondContact O-NE 2.79Å; K332-R455 PolarHBondContact O-NH2 2.86Å
333	P	70.1	Confident	72.1	Confident	8 Å²	8	62.5 Å²	62.5	5%	0.052	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-56.8	148	176.3	-23.7	33	0	0	0	112.6	L188 D189 F331 A335	L188-P333 HydrophobicContact CB-CG 4.43Å; D189-P333 WeakPolarHBondContact O-CG 3.48Å; F331-P333 HydrophobicContact CD1-CG 4.34Å; F331-P333 HydrophobicContact CE1-CB 4.11Å; F331-P333 HydrophobicContact CE1-CG 3.77Å; P333-A335 PolarHBondContact O-N 2.95Å
334	A	59.3	Low	70.6	Confident	22 Å²	22	59.3 Å²	59.3	18%	0.182	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-65.1	131.3	174.2	0	0	0	0	0	110.2	E451	A334-E451 HydrophobicContact CB-CG 4.03Å
335	A	55.7	Low	69	Low	79 Å²	79	55.7 Å²	55.7	65%	0.653	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-100.3	119.7	-177.5	0	0	0	0	0	110.8	P333	P333-A335 PolarHBondContact O-N 2.95Å
336	G	56.5	Low	67.3	Low	24 Å²	24	55.2 Å²	55.2	25%	0.247	31%	0.305	C	S	.	.			trans	-110.6	-145.1	167.1	0	0	0	0	0	111.7	D340	G336-D340 WeakPolarHBondContact CA-OD2 3.31Å
337	K	56.5	Low	65.8	Low	61 Å²	61	54.4 Å²	54.4	27%	0.265	30%	0.301	S	S	.	.	S	Bend	trans	-59.4	155	170.4	-70.4	179.2	-177.7	171.4	0	111.2	D339 D340 I394 Q396	K337-D339 VanDerWaalsContact CB-OD1 3.29Å; K337-D339 WeakPolarHBondContact CB-OD1 3.44Å; K337-D339 PolarHBondContact O-N 2.69Å; K337-D340 PolarHBondContact N-OD2 3.26Å; K337-D340 WeakPolarHBondContact O-CB 3.45Å; K337-D340 PolarHBondContact O-N 2.81Å; K337-I394 HydrophobicContact CB-CG2 4.38Å; K337-I394 HydrophobicContact CG-CG2 3.58Å; K337-Q396 VanDerWaalsContact CE-CD 3.44Å
338	P	57.4	Low	64.5	Low	63 Å²	63	54 Å²	54	41%	0.409	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-28.8	177	-31.8	38.3	0	0	0	115.8	L83 R138	L83-P338 HydrophobicContact CD1-CB 3.88Å; L83-P338 WeakPolarHBondContact CD1-O 3.37Å; R138-P338 VanDerWaalsContact CZ-CA 3.46Å; R138-P338 PolarHBondContact NE-O 3.48Å; R138-P338 VanDerWaalsContact NH2-CB 3.26Å; R138-P338 PolarHBondContact NH2-O 2.66Å
339	D	58.1	Low	63.7	Low	44 Å²	44	47.1 Å²	47.1	24%	0.235	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	9.6	-177.4	57.3	-21.6	0	0	0	113.9	L58 K59 L71 R73 L83 K337	L58-D339 HydrophobicContact CD1-CB 4.16Å; K59-D339 PolarHBondContact NZ-O 3.35Å; L71-D339 HydrophobicContact CD2-CB 4.26Å; R73-D339 IonicContact NH2-OD2 3.92Å; L83-D339 HydrophobicContact CD1-CB 4.03Å; K337-D339 VanDerWaalsContact CB-OD1 3.29Å; K337-D339 WeakPolarHBondContact CB-OD1 3.44Å; K337-D339 PolarHBondContact O-N 2.69Å
340	D	64.6	Low	62.7	Low	18 Å²	18	50 Å²	50	10%	0.096	29%	0.294	C	S	.	.			trans	-70	144.4	174.1	-76.9	-20.1	0	0	0	111.4	G336 K337 F342	G336-D340 WeakPolarHBondContact CA-OD2 3.31Å; K337-D340 PolarHBondContact N-OD2 3.26Å; K337-D340 WeakPolarHBondContact O-CB 3.45Å; K337-D340 PolarHBondContact O-N 2.81Å; D340-F342 HydrophobicContact CB-CD2 3.84Å; D340-F342 HydrophobicContact CB-CE2 3.33Å; D340-F342 HydrophobicContact CB-CZ 3.68Å; D340-F342 VanDerWaalsContact CG-CE2 3.45Å; D340-F342 WeakPolarHBondContact OD2-CE2 3.29Å; D340-F342 VanDerWaalsContact OD2-CZ 3.23Å; D340-F342 WeakPolarHBondContact OD2-CZ 3.38Å
341	T	58.4	Low	62.2	Low	12 Å²	12	51.5 Å²	51.5	7%	0.074	30%	0.296	C	S	.	.			trans	-128.1	33.3	-171.4	52.8	0	0	0	0	111.6	K59 L61 L71 F136 C343 F344 T349	K59-T341 HydrophobicContact CD-CG2 3.58Å; K59-T341 WeakPolarHBondContact CD-OG1 3.45Å; K59-T341 PolarHBondContact NZ-OG1 2.88Å; L61-T341 HydrophobicContact CD2-CG2 3.76Å; L71-T341 HydrophobicContact CD2-CG2 3.96Å; F136-T341 HydrophobicContact CZ-CG2 4.33Å; T341-C343 PolarHBondContact O-N 2.76Å; T341-F344 HydrophobicContact CG2-CD2 4.06Å; T341-F344 WeakPolarHBondContact O-CB 3.46Å; T341-F344 PolarHBondContact O-N 2.62Å; T341-T349 HydrophobicContact CG2-CG2 4.35Å; T341-T349 WeakPolarHBondContact OG1-CG2 3.34Å
342	F	61.7	Low	61.7	Low	79 Å²	79	55.8 Å²	55.8	35%	0.346	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-32.9	-177.1	-58.3	-54.3	0	0	0	114	D340 F344 V397 M454	D340-F342 HydrophobicContact CB-CD2 3.84Å; D340-F342 HydrophobicContact CB-CE2 3.33Å; D340-F342 HydrophobicContact CB-CZ 3.68Å; D340-F342 VanDerWaalsContact CG-CE2 3.45Å; D340-F342 WeakPolarHBondContact OD2-CE2 3.29Å; D340-F342 VanDerWaalsContact OD2-CZ 3.23Å; D340-F342 WeakPolarHBondContact OD2-CZ 3.38Å; F342-F344 VanDerWaalsContact C-N 3.26Å; F342-F344 PolarHBondContact O-N 2.71Å; F342-V397 HydrophobicContact CD1-CG1 4.39Å; F342-V397 HydrophobicContact CE1-CB 3.3Å; F342-V397 HydrophobicContact CE1-CG1 3.48Å; F342-V397 VanDerWaalsContact CE1-CG1 3.48Å; F342-V397 HydrophobicContact CE1-CG2 3.62Å; F342-V397 HydrophobicContact CE2-CG2 4.2Å; F342-V397 HydrophobicContact CZ-CB 3.35Å; F342-V397 HydrophobicContact CZ-CG1 4.08Å; F342-V397 HydrophobicContact CZ-CG2 3.32Å; F342-M454 HydrophobicContact CE2-CE 4.15Å; F342-M454 HydrophobicContact CZ-CE 4.41Å
343	C	57.5	Low	61.4	Low	18 Å²	18	51.3 Å²	51.3	12%	0.122	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-1.6	179.9	-58.3	0	0	0	0	113.1	R138 G139 T341	R138-C343 WeakPolarHBondContact O-CB 3.33Å; G139-C343 WeakPolarHBondContact O-CB 3.49Å; T341-C343 PolarHBondContact O-N 2.76Å
344	F	63.5	Low	61.3	Low	32 Å²	32	58.1 Å²	58.1	14%	0.14	34%	0.337	C	S	.	.	S	Bend	trans	-104.8	153.9	179.4	-63	-93.8	0	0	0	111.1	L61 F136 L137 T341 F342 P346 T349	L61-F344 HydrophobicContact CB-CD1 4.08Å; L61-F344 HydrophobicContact CB-CE1 4.16Å; L61-F344 HydrophobicContact CD1-CE1 4.23Å; L61-F344 HydrophobicContact CD1-CZ 4.43Å; L61-F344 HydrophobicContact CD2-CD1 3.78Å; L61-F344 HydrophobicContact CD2-CD2 4.14Å; L61-F344 HydrophobicContact CD2-CE1 3.89Å; L61-F344 HydrophobicContact CD2-CE2 4.24Å; L61-F344 HydrophobicContact CD2-CG 3.9Å; L61-F344 HydrophobicContact CD2-CZ 4.12Å; L61-F344 HydrophobicContact CG-CD1 4.42Å; L61-F344 HydrophobicContact CG-CE1 4.31Å; F136-F344 HydrophobicContact CD2-CZ 4.36Å; F136-F344 AromaticContact CE2-CE2 3.67Å; F136-F344 HydrophobicContact CE2-CE2 3.67Å; F136-F344 AromaticContact CE2-CZ 3.56Å; F136-F344 HydrophobicContact CE2-CZ 3.56Å; F136-F344 AromaticContact CZ-CE2 3.96Å; F136-F344 HydrophobicContact CZ-CE2 3.96Å; F136-F344 HydrophobicContact CZ-CZ 4.32Å; L137-F344 VanDerWaalsContact O-CZ 3.29Å; L137-F344 WeakPolarHBondContact O-CZ 3.29Å; T341-F344 HydrophobicContact CG2-CD2 4.06Å; T341-F344 WeakPolarHBondContact O-CB 3.46Å; T341-F344 PolarHBondContact O-N 2.62Å; F342-F344 VanDerWaalsContact C-N 3.26Å; F342-F344 PolarHBondContact O-N 2.71Å; F344-P346 WeakPolarHBondContact O-CD 3.48Å; F344-T349 HydrophobicContact CB-CG2 3.76Å
345	D	61.8	Low	61.1	Low	58 Å²	58	59.7 Å²	59.7	31%	0.31	34%	0.342	S	S	.	.			trans	-63.3	125.5	-176.3	-159.8	-45	0	0	0	111.7	E347 F348 T349 K721	D345-E347 PolarHBondContact O-N 2.64Å; D345-E347 VanDerWaalsContact O-N 3.16Å; D345-E347 WeakPolarHBondContact OD1-CB 3.43Å; D345-E347 PolarHBondContact OD1-N 2.96Å; D345-F348 HydrophobicContact CB-CD2 3.66Å; D345-F348 HydrophobicContact CB-CE2 4.07Å; D345-F348 PolarHBondContact O-N 3.3Å; D345-T349 PolarHBondContact O-N 3.48Å; D345-T349 PolarHBondContact O-OG1 3.36Å; D345-K721 IonicContact OD1-NZ 2.78Å; D345-K721 IonicContact OD2-NZ 2.68Å; D345-K721 PolarHBondContact OD2-NZ 3.26Å
346	P	60.2	Low	61.3	Low	92 Å²	92	58.3 Å²	58.3	60%	0.597	33%	0.327	S	S	*	.	H	α-helix	trans	-53.7	-31	173.8	-27.9	36.5	0	0	0	113.4	F344 F348 T349 A350	F344-P346 WeakPolarHBondContact O-CD 3.48Å; P346-F348 PolarHBondContact O-N 2.87Å; P346-T349 WeakPolarHBondContact CA-OG1 3.43Å; P346-T349 PolarHBondContact O-N 3.42Å; P346-A350 WeakPolarHBondContact O-CB 3.49Å; P346-A350 PolarHBondContact O-N 3.26Å
347	E	58.4	Low	61.1	Low	92 Å²	92	63.2 Å²	63.2	43%	0.43	36%	0.355	S	S	.	.	H	α-helix	trans	-59.5	-32.7	177.8	-165.6	-156.9	141.1	0	0	112.5	D345 K351 K721	D345-E347 PolarHBondContact O-N 2.64Å; D345-E347 VanDerWaalsContact O-N 3.16Å; D345-E347 WeakPolarHBondContact OD1-CB 3.43Å; D345-E347 PolarHBondContact OD1-N 2.96Å; E347-K351 WeakPolarHBondContact O-CD 3.4Å; E347-K351 WeakPolarHBondContact O-CE 3.47Å; E347-K351 WeakPolarHBondContact O-CG 3.43Å; E347-K351 IonicContact OE1-NZ 3.66Å; E347-K721 IonicContact OE2-NZ 2.7Å; E347-K721 PolarHBondContact OE2-NZ 2.92Å
348	F	60.6	Low	60.8	Low	35 Å²	35	61.5 Å²	61.5	15%	0.154	36%	0.355	C	S	.	.	H	α-helix	trans	-91.5	-45.7	176.7	-58	-60.4	0	0	0	111.2	V60 Q63 D345 P346 A350 K351	V60-F348 WeakPolarHBondContact CB-O 3.26Å; V60-F348 HydrophobicContact CG1-CB 4.37Å; V60-F348 CarbonylContact O-C 3.56Å; V60-F348 WeakPolarHBondContact O-CB 3.42Å; Q63-F348 HydrophobicContact CB-CD1 4.31Å; Q63-F348 HydrophobicContact CB-CE1 3.99Å; D345-F348 HydrophobicContact CB-CD2 3.66Å; D345-F348 HydrophobicContact CB-CE2 4.07Å; D345-F348 PolarHBondContact O-N 3.3Å; P346-F348 PolarHBondContact O-N 2.87Å; F348-A350 PolarHBondContact O-N 2.95Å; F348-K351 WeakPolarHBondContact O-CB 3.45Å; F348-K351 PolarHBondContact O-N 3.42Å
349	T	67.6	Low	60.6	Low	32 Å²	32	64.9 Å²	64.9	20%	0.196	37%	0.368	C	S	.	.	H	α-helix	trans	-68.7	-22.3	-174.3	56.5	0	0	0	0	113.5	V60 T341 F344 D345 P346	V60-T349 PolarHBondContact O-N 3.21Å; T341-T349 HydrophobicContact CG2-CG2 4.35Å; T341-T349 WeakPolarHBondContact OG1-CG2 3.34Å; F344-T349 HydrophobicContact CB-CG2 3.76Å; D345-T349 PolarHBondContact O-N 3.48Å; D345-T349 PolarHBondContact O-OG1 3.36Å; P346-T349 WeakPolarHBondContact CA-OG1 3.43Å; P346-T349 PolarHBondContact O-N 3.42Å
350	A	63.2	Low	60.3	Low	86 Å²	86	66.5 Å²	66.5	71%	0.711	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-11.5	172.3	0	0	0	0	0	114.1	P346 F348	P346-A350 WeakPolarHBondContact O-CB 3.49Å; P346-A350 PolarHBondContact O-N 3.26Å; F348-A350 PolarHBondContact O-N 2.95Å
351	K	66.7	Low	59.6	Low	78 Å²	78	66.6 Å²	66.6	34%	0.339	38%	0.383	S	S	.	.	S	Bend	trans	-74.8	140.2	178.3	-70	171.3	-179.7	161.3	0	110.2	V60 E347 F348	V60-K351 HydrophobicContact CG2-CB 4.2Å; E347-K351 WeakPolarHBondContact O-CD 3.4Å; E347-K351 WeakPolarHBondContact O-CE 3.47Å; E347-K351 WeakPolarHBondContact O-CG 3.43Å; E347-K351 IonicContact OE1-NZ 3.66Å; F348-K351 WeakPolarHBondContact O-CB 3.45Å; F348-K351 PolarHBondContact O-N 3.42Å
352	T	65.1	Low	59.4	Low	102 Å²	102	70 Å²	70	63%	0.626	41%	0.406	S	S	*	.			trans	-59.7	127.7	174.6	-42.4	0	0	0	0	109.9	K354	T352-K354 HydrophobicContact CG2-CD 4.27Å; T352-K354 HydrophobicContact CG2-CG 4.03Å; T352-K354 PolarHBondContact O-N 3.32Å
353	P	66.9	Low	59	Low	42 Å²	42	69.9 Å²	69.9	27%	0.273	42%	0.42	S	S	.	.			trans	-74.2	74	-180	32.9	-38.3	0	0	0	110.3	L57 L58	L57-P353 HydrophobicContact CB-CB 4.08Å; L58-P353 WeakPolarHBondContact O-CG 3.41Å
354	K	66.7	Low	58.6	Low	152 Å²	152	75.3 Å²	75.3	66%	0.661	45%	0.448	S	S	*	.			trans	-113.9	122.1	173.9	-73.4	-175.3	178	-179.4	0	110.3	T352	T352-K354 HydrophobicContact CG2-CD 4.27Å; T352-K354 HydrophobicContact CG2-CG 4.03Å; T352-K354 PolarHBondContact O-N 3.32Å
355	D	57.1	Low	57.9	Low	54 Å²	54	73.8 Å²	73.8	29%	0.289	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-81.6	120.7	169.6	-171.9	17	0	0	0	109.7	L57 K129 Y131	L57-D355 HydrophobicContact CD2-CB 4.38Å; K129-D355 IonicContact NZ-OD1 3.82Å; K129-D355 PolarHBondContact NZ-OD1 3.4Å; K129-D355 IonicContact NZ-OD2 3.78Å; K129-D355 PolarHBondContact NZ-OD2 2.97Å; Y131-D355 PolarHBondContact OH-OD2 3.05Å
356	S	58.4	Low	57.7	Low	51 Å²	51	75.5 Å²	75.5	36%	0.357	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-81.9	142.8	-176.9	-46.1	0	0	0	0	111	K129 G358	K129-S356 WeakPolarHBondContact CE-O 3.37Å; K129-S356 PolarHBondContact NZ-O 3.35Å; S356-G358 PolarHBondContact O-N 3.38Å
357	P	52.4	Low	57.6	Low	126 Å²	126	78.1 Å²	78.1	82%	0.818	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-53	140.2	179.9	-22.4	30.9	0	0	0	112.8
358	G	50.8	Low	57.4	Low	26 Å²	26	76.8 Å²	76.8	27%	0.268	45%	0.447	S	S	.	.			trans	-107	129	178.6	0	0	0	0	0	110.7	S356	S356-G358 PolarHBondContact O-N 3.38Å
359	I	52.7	Low	57.3	Low	133 Å²	133	75.1 Å²	75.1	68%	0.682	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-71.9	137.8	177.9	-55.4	170.7	0	0	0	109
360	P	51.2	Low	56.8	Low	78 Å²	78	81.9 Å²	81.9	51%	0.506	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-60.4	139.9	177	-19.2	30	0	0	0	111.5
361	P	50.1	Low	56.6	Low	21 Å²	21	79.7 Å²	79.7	14%	0.136	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-81.3	168.1	177.1	39.4	-40.1	0	0	0	111.4	K91 E127 A365	K91-P361 HydrophobicContact CB-CB 3.94Å; K91-P361 HydrophobicContact CB-CG 3.8Å; K91-P361 HydrophobicContact CD-CG 3.86Å; K91-P361 HydrophobicContact CG-CG 4.49Å; E127-P361 WeakPolarHBondContact O-CD 3.37Å; P361-A365 HydrophobicContact CB-CB 3.63Å; P361-A365 HydrophobicContact CG-CB 4.05Å
362	S	55.3	Low	56.6	Low	82 Å²	82	76 Å²	76	57%	0.573	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-60.9	155.9	176.4	60.5	0	0	0	0	113.1	N364 A365 H366	S362-N364 VanDerWaalsContact C-N 3.29Å; S362-N364 PolarHBondContact O-N 3.23Å; S362-N364 VanDerWaalsContact O-N 3.16Å; S362-A365 WeakPolarHBondContact O-CA 3.32Å; S362-A365 WeakPolarHBondContact O-CB 3.45Å; S362-A365 PolarHBondContact O-N 2.96Å; S362-H366 PolarHBondContact O-N 2.92Å
363	A	52.2	Low	57	Low	77 Å²	77	73.3 Å²	73.3	64%	0.636	42%	0.421	S	S	*	.	H	α-helix	trans	-53	-39.9	-175	0	0	0	0	0	114.3	A365 H366 Q367	A363-A365 VanDerWaalsContact C-N 3.28Å; A363-A365 PolarHBondContact O-N 3.43Å; A363-H366 WeakPolarHBondContact O-CB 3.24Å; A363-H366 PolarHBondContact O-N 3.35Å; A363-H366 VanDerWaalsContact O-N 3.16Å; A363-Q367 PolarHBondContact O-N 2.96Å
364	N	50	Low	57.3	Low	132 Å²	132	72.8 Å²	72.8	71%	0.706	42%	0.415	S	S	*	.	H	α-helix	trans	-65.6	-27.8	176.2	-71.2	-2.4	0	0	0	113.2	S362	S362-N364 VanDerWaalsContact C-N 3.29Å; S362-N364 PolarHBondContact O-N 3.23Å; S362-N364 VanDerWaalsContact O-N 3.16Å
365	A	48.9	Very low	57.5	Low	0 Å²	0	67.3 Å²	67.3	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-71.5	-32.5	174.8	0	0	0	0	0	112.5	R99 P361 S362 A363 F369	R99-A365 VanDerWaalsContact CZ-CB 3.43Å; P361-A365 HydrophobicContact CB-CB 3.63Å; P361-A365 HydrophobicContact CG-CB 4.05Å; S362-A365 WeakPolarHBondContact O-CA 3.32Å; S362-A365 WeakPolarHBondContact O-CB 3.45Å; S362-A365 PolarHBondContact O-N 2.96Å; A363-A365 VanDerWaalsContact C-N 3.28Å; A363-A365 PolarHBondContact O-N 3.43Å; A365-F369 WeakPolarHBondContact O-CD2 3.46Å
366	H	56.4	Low	57.9	Low	95 Å²	95	65.6 Å²	65.6	44%	0.44	39%	0.388	S	S	.	.	H	α-helix	trans	-71.7	-34.4	-177.2	-159.9	95	0	0	0	111.7	S362 A363 L368 F369	S362-H366 PolarHBondContact O-N 2.92Å; A363-H366 WeakPolarHBondContact O-CB 3.24Å; A363-H366 PolarHBondContact O-N 3.35Å; A363-H366 VanDerWaalsContact O-N 3.16Å; H366-L368 PolarHBondContact O-N 3.38Å; H366-F369 PolarHBondContact O-N 3.18Å
367	Q	59	Low	57.7	Low	146 Å²	146	67.9 Å²	67.9	68%	0.682	40%	0.401	S	S	*	.	H	α-helix	trans	-64.2	-36.8	178.6	-69.2	-176.4	-1.5	0	0	113.3	A363 F369 K370	A363-Q367 PolarHBondContact O-N 2.96Å; Q367-F369 VanDerWaalsContact C-N 3.26Å; Q367-F369 PolarHBondContact O-N 2.85Å; Q367-K370 WeakPolarHBondContact O-CB 3.39Å; Q367-K370 PolarHBondContact O-N 3.33Å
368	L	53.8	Low	57.3	Low	64 Å²	64	65.6 Å²	65.6	34%	0.335	39%	0.393	S	S	.	.	H	α-helix	trans	-65.5	-27.7	-177.6	-163.7	76.9	0	0	0	113.2	R99 V100 H366	R99-L368 HydrophobicContact CB-CD2 3.57Å; V100-L368 HydrophobicContact CG2-CD2 4.21Å; H366-L368 PolarHBondContact O-N 3.38Å
369	F	58	Low	56.7	Low	1 Å²	1	69.6 Å²	69.6	0%	0.004	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	10.4	-179.3	-60.1	-63.5	0	0	0	113.7	K91 L94 R99 Q125 L130 A365 H366 Q367 G371 F372	K91-F369 HydrophobicContact CD-CD2 4.25Å; K91-F369 HydrophobicContact CD-CE2 4.42Å; K91-F369 HydrophobicContact CG-CE2 4.23Å; L94-F369 HydrophobicContact CD1-CZ 4.29Å; R99-F369 HydrophobicContact CB-CE1 4.06Å; R99-F369 HydrophobicContact CB-CE2 4.26Å; R99-F369 HydrophobicContact CB-CZ 3.47Å; R99-F369 VanDerWaalsContact CB-CZ 3.47Å; R99-F369 HydrophobicContact CG-CE2 4.06Å; R99-F369 HydrophobicContact CG-CZ 3.58Å; Q125-F369 PolarHBondContact NE2-O 2.83Å; L130-F369 HydrophobicContact CD1-CD1 3.89Å; L130-F369 HydrophobicContact CD1-CE1 3.45Å; L130-F369 VanDerWaalsContact CD1-CE1 3.45Å; L130-F369 HydrophobicContact CD1-CE2 4.37Å; L130-F369 HydrophobicContact CD1-CZ 3.69Å; L130-F369 HydrophobicContact CD2-CB 4.43Å; L130-F369 HydrophobicContact CD2-CD1 4.05Å; L130-F369 HydrophobicContact CD2-CE1 4.44Å; L130-F369 HydrophobicContact CD2-CG 4.12Å; A365-F369 WeakPolarHBondContact O-CD2 3.46Å; H366-F369 PolarHBondContact O-N 3.18Å; Q367-F369 VanDerWaalsContact C-N 3.26Å; Q367-F369 PolarHBondContact O-N 2.85Å; F369-G371 PolarHBondContact O-N 2.72Å; F369-F372 HydrophobicContact CD1-CD2 4.42Å; F369-F372 WeakPolarHBondContact O-CB 3.44Å; F369-F372 PolarHBondContact O-N 2.81Å
370	K	58.8	Low	55.8	Low	174 Å²	174	72 Å²	72	76%	0.757	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	128.1	171.8	-164.3	178	-179.4	-175.7	0	109.1	Q367	Q367-K370 WeakPolarHBondContact O-CB 3.39Å; Q367-K370 PolarHBondContact O-N 3.33Å
371	G	57.7	Low	55.2	Low	40 Å²	40	73.6 Å²	73.6	41%	0.412	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	14.1	-177.4	0	0	0	0	0	116.1	R106 F369 S373	R106-G371 PolarHBondContact NH1-O 3.12Å; R106-G371 PolarHBondContact NH2-O 2.87Å; F369-G371 PolarHBondContact O-N 2.72Å; G371-S373 VanDerWaalsContact C-N 3.3Å; G371-S373 PolarHBondContact O-N 2.82Å
372	F	67.9	Low	54.3	Low	1 Å²	1	81.6 Å²	81.6	0%	0.004	46%	0.464	C	S	.	.			trans	-66.2	-26.8	177.6	-169.2	-95.4	0	0	0	114.1	T102 R106 A123 F124 Q125 L130 L132 F369 F374	T102-F372 HydrophobicContact CG2-CE2 4.23Å; T102-F372 HydrophobicContact CG2-CZ 4.43Å; R106-F372 HydrophobicContact CB-CE2 3.93Å; R106-F372 HydrophobicContact CB-CZ 4.36Å; R106-F372 HydrophobicContact CG-CD2 4.39Å; R106-F372 HydrophobicContact CG-CE2 4.03Å; R106-F372 HydrophobicContact CG-CZ 4.24Å; R106-F372 PolarHBondContact NH1-O 2.75Å; R106-F372 VanDerWaalsContact NH1-O 3.14Å; A123-F372 HydrophobicContact CB-CD1 4.32Å; A123-F372 HydrophobicContact CB-CE1 4.02Å; A123-F372 WeakPolarHBondContact CB-O 3.36Å; F124-F372 WeakPolarHBondContact O-CD1 3.23Å; F124-F372 WeakPolarHBondContact O-CE1 3.28Å; Q125-F372 HydrophobicContact CB-CD1 4.22Å; L130-F372 HydrophobicContact CB-CE1 4.02Å; L130-F372 HydrophobicContact CB-CZ 3.94Å; L130-F372 HydrophobicContact CD1-CE2 4.29Å; L130-F372 HydrophobicContact CD1-CZ 4.35Å; L130-F372 HydrophobicContact CD2-CD1 3.92Å; L130-F372 HydrophobicContact CD2-CD2 4.2Å; L130-F372 HydrophobicContact CD2-CE1 3.96Å; L130-F372 HydrophobicContact CD2-CE2 4.23Å; L130-F372 HydrophobicContact CD2-CG 4.04Å; L130-F372 HydrophobicContact CD2-CZ 4.1Å; L130-F372 HydrophobicContact CG-CZ 4.36Å; L132-F372 HydrophobicContact CD2-CE1 4.13Å; L132-F372 HydrophobicContact CD2-CZ 3.66Å; L132-F372 HydrophobicContact CG-CZ 4.27Å; F369-F372 HydrophobicContact CD1-CD2 4.42Å; F369-F372 WeakPolarHBondContact O-CB 3.44Å; F369-F372 PolarHBondContact O-N 2.81Å; F372-F374 PolarHBondContact O-N 3.36Å
373	S	72.6	Confident	53	Low	44 Å²	44	85 Å²	85	31%	0.308	48%	0.476	S	S	.	.			trans	-67.4	132	-177.2	-59.3	0	0	0	0	112.2	A123 G371	A123-S373 CarbonylContact O-C 3.58Å; A123-S373 WeakPolarHBondContact O-CA 3.47Å; G371-S373 VanDerWaalsContact C-N 3.3Å; G371-S373 PolarHBondContact O-N 2.82Å
374	F	74	Confident	51.8	Low	32 Å²	32	89 Å²	89	14%	0.14	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	142.4	-179.8	172.1	-104.1	0	0	0	110.2	V110 L120 Y122 A123 F372 A376	V110-F374 HydrophobicContact CB-CE2 4.43Å; V110-F374 HydrophobicContact CB-CZ 4.38Å; V110-F374 HydrophobicContact CG1-CD2 4.16Å; V110-F374 HydrophobicContact CG1-CE2 3.66Å; V110-F374 HydrophobicContact CG1-CZ 3.92Å; V110-F374 HydrophobicContact CG2-CB 4.46Å; V110-F374 HydrophobicContact CG2-CD1 3.79Å; V110-F374 HydrophobicContact CG2-CD2 3.88Å; V110-F374 HydrophobicContact CG2-CE1 3.87Å; V110-F374 HydrophobicContact CG2-CE2 3.97Å; V110-F374 HydrophobicContact CG2-CG 3.77Å; V110-F374 HydrophobicContact CG2-CZ 3.96Å; L120-F374 HydrophobicContact CD2-CD1 4.01Å; L120-F374 HydrophobicContact CD2-CE1 4.36Å; L120-F374 HydrophobicContact CG-CD1 4.33Å; Y122-F374 WeakPolarHBondContact CA-O 3.39Å; A123-F374 HydrophobicContact CB-CB 4.08Å; A123-F374 PolarHBondContact N-O 3.24Å; A123-F374 PolarHBondContact O-N 3.48Å; A123-F374 VanDerWaalsContact O-O 3.13Å; F372-F374 PolarHBondContact O-N 3.36Å; F374-A376 HydrophobicContact CE1-CB 3.89Å; F374-A376 HydrophobicContact CZ-CB 4.11Å
375	V	70.2	Confident	50.6	Low	37 Å²	37	87.4 Å²	87.4	22%	0.224	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	119.2	170.5	179.3	0	0	0	0	107.1	A50 Y122	A50-V375 HydrophobicContact CB-CG2 4.39Å; Y122-V375 HydrophobicContact CD1-CB 4.35Å; Y122-V375 HydrophobicContact CD1-CG1 3.93Å; Y122-V375 HydrophobicContact CD1-CG2 4.09Å; Y122-V375 HydrophobicContact CE1-CG1 3.67Å
376	A	65.9	Low	49.4	Very low	18 Å²	18	91.9 Å²	91.9	15%	0.149	51%	0.51	C	S	.	.	P	Polyproline II helix	trans	-61.9	138.3	177	0	0	0	0	0	110.1	H121 F374 A378	H121-A376 WeakPolarHBondContact O-CB 3.42Å; H121-A376 PolarHBondContact O-N 3.48Å; F374-A376 HydrophobicContact CE1-CB 3.89Å; F374-A376 HydrophobicContact CZ-CB 4.11Å; A376-A378 PolarHBondContact O-N 3.13Å
377	P	53.4	Low	48	Very low	99 Å²	99	92.8 Å²	92.8	64%	0.643	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-56.5	128.6	170	-19.4	30.2	0	0	0	109.4
378	A	44.4	Very low	46.3	Very low	78 Å²	78	93.4 Å²	93.4	65%	0.645	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-55.9	129.4	172.5	0	0	0	0	0	108.3	A376 M380	A376-A378 PolarHBondContact O-N 3.13Å; A378-M380 PolarHBondContact O-N 3.47Å
379	P	39.2	Very low	45	Very low	110 Å²	110	98 Å²	98	71%	0.714	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-59.9	117.5	174.3	22.8	-29	0	0	0	108	D381	P379-D381 PolarHBondContact O-N 2.94Å
380	M	33	Very low	43.4	Very low	184 Å²	184	101.7 Å²	101.7	91%	0.906	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-65.9	128.7	161.7	-74.1	-161.4	151.2	0	0	106.9	A378 E382	A378-M380 PolarHBondContact O-N 3.47Å; M380-E382 PolarHBondContact O-N 3.4Å
381	D	38	Very low	42	Very low	110 Å²	110	101.2 Å²	101.2	59%	0.588	59%	0.585	S	S	*	*			trans	-29.6	114.2	-176	-89	-37.5	0	0	0	113.8	P379 K384	P379-D381 PolarHBondContact O-N 2.94Å; D381-K384 VanDerWaalsContact CG-NZ 3.34Å; D381-K384 WeakPolarHBondContact OD1-CE 3.44Å; D381-K384 IonicContact OD1-NZ 2.93Å; D381-K384 PolarHBondContact OD1-NZ 2.83Å; D381-K384 IonicContact OD2-NZ 2.74Å; D381-K384 PolarHBondContact OD2-NZ 2.84Å
382	E	31.5	Very low	40.6	Very low	189 Å²	189	103.2 Å²	103.2	88%	0.883	59%	0.586	S	S	*	*	S	Bend	trans	-112.6	110.1	147.3	-80.2	-162.8	160.4	0	0	107.8	M380	M380-E382 PolarHBondContact O-N 3.4Å
383	N	27.8	Very low	39	Very low	153 Å²	153	107.1 Å²	107.1	82%	0.818	61%	0.611	S	S	*	*			trans	52.7	78.3	172.1	-66.5	-20.6	0	0	0	116.3	S385	N383-S385 PolarHBondContact O-N 3.38Å
384	K	28	Very low	37.8	Very low	161 Å²	161	109.7 Å²	109.7	70%	0.7	62%	0.621	S	S	*	*			trans	-60.6	82.4	140.9	-74.1	174.1	-177.7	134.5	0	108.8	D381 S386	D381-K384 VanDerWaalsContact CG-NZ 3.34Å; D381-K384 WeakPolarHBondContact OD1-CE 3.44Å; D381-K384 IonicContact OD1-NZ 2.93Å; D381-K384 PolarHBondContact OD1-NZ 2.83Å; D381-K384 IonicContact OD2-NZ 2.74Å; D381-K384 PolarHBondContact OD2-NZ 2.84Å; K384-S386 PolarHBondContact O-N 3.38Å; K384-S386 VanDerWaalsContact O-N 3.15Å
385	S	24.8	Very low	36.7	Very low	100 Å²	100	109.2 Å²	109.2	70%	0.699	62%	0.62	S	S	*	*			trans	-65.2	104.2	137.3	48.6	0	0	0	0	104.5	N383 P387	N383-S385 PolarHBondContact O-N 3.38Å; S385-P387 VanDerWaalsContact O-CD 3.28Å; S385-P387 WeakPolarHBondContact O-CD 3.34Å
386	S	23.8	Very low	36	Very low	93 Å²	93	110.9 Å²	110.9	65%	0.65	63%	0.626	S	S	*	*			trans	-45	117.5	168.2	44.5	0	0	0	0	108.1	K384 L388	K384-S386 PolarHBondContact O-N 3.38Å; K384-S386 VanDerWaalsContact O-N 3.15Å; S386-L388 VanDerWaalsContact C-N 3.32Å; S386-L388 PolarHBondContact O-N 2.79Å
387	P	25.5	Very low	35.3	Very low	115 Å²	115	111.4 Å²	111.4	75%	0.747	63%	0.627	S	S	*	*			trans	-63.9	110.9	160.3	26.2	-25.9	0	0	0	103.6	S385 L389	S385-P387 VanDerWaalsContact O-CD 3.28Å; S385-P387 WeakPolarHBondContact O-CD 3.34Å; P387-L389 VanDerWaalsContact C-N 3.3Å; P387-L389 PolarHBondContact O-N 2.65Å
388	L	24.5	Very low	35.9	Very low	159 Å²	159	107.8 Å²	107.8	83%	0.832	60%	0.602	S	S	*	*			trans	-46.5	110	157.4	-78.4	161.3	0	0	0	104.7	S386 S390	S386-L388 VanDerWaalsContact C-N 3.32Å; S386-L388 PolarHBondContact O-N 2.79Å; L388-S390 PolarHBondContact O-N 3.15Å
389	L	26.3	Very low	36	Very low	159 Å²	159	107.1 Å²	107.1	83%	0.832	60%	0.603	S	S	*	*			trans	-62	79.7	166.1	-86.6	155.8	0	0	0	105.9	P387 I391	P387-L389 VanDerWaalsContact C-N 3.3Å; P387-L389 PolarHBondContact O-N 2.65Å; L389-I391 VanDerWaalsContact C-N 3.32Å; L389-I391 PolarHBondContact O-N 2.94Å; L389-I391 VanDerWaalsContact O-N 3.14Å
390	S	23.7	Very low	36.7	Very low	79 Å²	79	106 Å²	106	55%	0.552	61%	0.611	S	S	*	*			trans	-64.9	107.3	150.2	52.6	0	0	0	0	104.2	L388 L392	L388-S390 PolarHBondContact O-N 3.15Å; S390-L392 PolarHBondContact O-N 3.31Å
391	I	29.5	Very low	37.9	Very low	164 Å²	164	102.6 Å²	102.6	84%	0.841	61%	0.605	S	S	*	*			trans	-63.6	84.8	168.6	-62.1	168.7	0	0	0	105.3	L389	L389-I391 VanDerWaalsContact C-N 3.32Å; L389-I391 PolarHBondContact O-N 2.94Å; L389-I391 VanDerWaalsContact O-N 3.14Å
392	L	29.5	Very low	39.5	Very low	83 Å²	83	99.7 Å²	99.7	44%	0.435	59%	0.591	S	S	.	*			trans	-79.1	135.6	173.3	-67.7	173	0	0	0	107.5	S390 I394	S390-L392 PolarHBondContact O-N 3.31Å; L392-I394 PolarHBondContact O-N 2.82Å; L392-I394 VanDerWaalsContact O-N 3.07Å
393	P	33.4	Very low	42.1	Very low	82 Å²	82	96.7 Å²	96.7	53%	0.532	58%	0.575	S	S	.	*			trans	-65.1	112	172	9.5	-3.2	0	0	0	108.8
394	I	47	Very low	45	Very low	98 Å²	98	89.7 Å²	89.7	50%	0.503	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-78	118.4	178.9	-58.7	170.5	0	0	0	108.4	K337 L392	K337-I394 HydrophobicContact CB-CG2 4.38Å; K337-I394 HydrophobicContact CG-CG2 3.58Å; L392-I394 PolarHBondContact O-N 2.82Å; L392-I394 VanDerWaalsContact O-N 3.07Å
395	V	50.6	Low	48	Very low	22 Å²	22	84.9 Å²	84.9	13%	0.133	52%	0.524	C	S	.	.	P	Polyproline II helix	trans	-69	126.6	173.9	-175.7	0	0	0	0	109.4	M454 L465 K466	V395-M454 HydrophobicContact CB-CE 3.94Å; V395-M454 HydrophobicContact CG1-CE 3.98Å; V395-M454 HydrophobicContact CG1-CG 4.41Å; V395-L465 HydrophobicContact CG1-CB 4.41Å; V395-L465 HydrophobicContact CG1-CD2 3.95Å; V395-L465 HydrophobicContact CG1-CG 3.81Å; V395-L465 WeakPolarHBondContact CG2-O 3.31Å; V395-K466 WeakPolarHBondContact CA-O 3.35Å; V395-K466 WeakPolarHBondContact CG1-O 3.39Å
396	Q	55.8	Low	50.9	Low	72 Å²	72	84.2 Å²	84.2	34%	0.336	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	124.7	179.5	-40.8	-165.2	3.7	0	0	111.1	K337 K466 D467 V468	K337-Q396 VanDerWaalsContact CE-CD 3.44Å; Q396-K466 PolarHBondContact N-O 2.76Å; Q396-D467 VanDerWaalsContact CB-OD1 3.28Å; Q396-D467 WeakPolarHBondContact CB-OD1 3.5Å; Q396-D467 WeakPolarHBondContact CG-OD1 3.29Å; Q396-D467 CarbonylContact O-C 3.58Å; Q396-D467 VanDerWaalsContact O-CA 3.23Å; Q396-D467 WeakPolarHBondContact O-CA 3.28Å; Q396-V468 PolarHBondContact O-N 3.15Å
397	V	52.2	Low	54	Low	30 Å²	30	82 Å²	82	18%	0.182	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	124.1	174.3	-176.3	0	0	0	0	109	F342 M454 V468	F342-V397 HydrophobicContact CD1-CG1 4.39Å; F342-V397 HydrophobicContact CE1-CB 3.3Å; F342-V397 HydrophobicContact CE1-CG1 3.48Å; F342-V397 VanDerWaalsContact CE1-CG1 3.48Å; F342-V397 HydrophobicContact CE1-CG2 3.62Å; F342-V397 HydrophobicContact CE2-CG2 4.2Å; F342-V397 HydrophobicContact CZ-CB 3.35Å; F342-V397 HydrophobicContact CZ-CG1 4.08Å; F342-V397 HydrophobicContact CZ-CG2 3.32Å; V397-M454 HydrophobicContact CG2-CE 3.44Å; V397-M454 VanDerWaalsContact CG2-CE 3.44Å; V397-M454 HydrophobicContact CG2-SD 4.27Å; V397-V468 CarbonylContact C-O 3.5Å; V397-V468 VanDerWaalsContact CA-O 3.29Å; V397-V468 WeakPolarHBondContact CA-O 3.49Å; V397-V468 HydrophobicContact CB-CB 4.15Å; V397-V468 HydrophobicContact CG1-CB 3.88Å; V397-V468 HydrophobicContact CG1-CG1 3.95Å; V397-V468 HydrophobicContact CG2-CB 3.92Å; V397-V468 HydrophobicContact CG2-CG2 4.18Å
398	H	64.6	Low	57.3	Low	22 Å²	22	76.9 Å²	76.9	10%	0.102	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	114.7	-174.8	-60.1	87.5	0	0	0	109.9	V468 Y469 D470	H398-V468 PolarHBondContact N-O 3.45Å; H398-Y469 HydrophobicContact CB-CD1 3.6Å; H398-Y469 HydrophobicContact CB-CE1 3.83Å; H398-Y469 HydrophobicContact CB-CG 4.4Å; H398-Y469 AromaticContact CE1-CE1 3.95Å; H398-Y469 AromaticContact CE1-CZ 3.88Å; H398-Y469 AromaticContact CG-CD1 3.88Å; H398-Y469 AromaticContact CG-CE1 3.57Å; H398-Y469 AromaticContact ND1-CD1 3.86Å; H398-Y469 AromaticContact ND1-CE1 3.35Å; H398-Y469 VanDerWaalsContact ND1-CE1 3.35Å; H398-Y469 WeakPolarHBondContact ND1-CE1 3.46Å; H398-Y469 AromaticContact ND1-CZ 3.52Å; H398-D470 PolarHBondContact O-N 3.03Å
399	G	46.3	Very low	60.6	Low	65 Å²	65	73.3 Å²	73.3	67%	0.67	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	118.1	172.7	0	0	0	0	0	111.2	S401	G399-S401 VanDerWaalsContact C-N 3.28Å; G399-S401 PolarHBondContact O-N 3.43Å
400	G	54.9	Low	63.9	Low	86 Å²	86	69.1 Å²	69.1	89%	0.887	42%	0.417	S	S	*	.	S	Bend	trans	72.8	-25.3	163.3	0	0	0	0	0	119.1
401	S	58.3	Low	67.3	Low	112 Å²	112	68.5 Å²	68.5	78%	0.783	41%	0.405	S	S	*	.	S	Bend	trans	-106.5	-22	-176.5	-169.2	0	0	0	0	115.7	G399	G399-S401 VanDerWaalsContact C-N 3.28Å; G399-S401 PolarHBondContact O-N 3.43Å
402	T	71.4	Confident	70.3	Confident	49 Å²	49	65.3 Å²	65.3	30%	0.301	39%	0.386	S	S	.	.	S	Bend	trans	-131	125.2	-178	-50.6	0	0	0	0	108.1	D406 L407	T402-D406 HydrophobicContact CG2-CB 4.48Å; T402-L407 HydrophobicContact CG2-CD1 4.15Å
403	K	85.3	Confident	73.2	Confident	126 Å²	126	65.8 Å²	65.8	55%	0.548	39%	0.389	S	S	.	.			trans	-92.6	151.7	-179.6	-62.5	-174.3	177.8	-172.2	0	110.8	S405 D406 E471	K403-S405 PolarHBondContact O-N 3.29Å; K403-D406 PolarHBondContact N-OD2 3.49Å; K403-D406 VanDerWaalsContact O-CB 3.26Å; K403-D406 WeakPolarHBondContact O-CB 3.36Å; K403-D406 PolarHBondContact O-N 3.24Å; K403-E471 WeakPolarHBondContact CA-OE1 3.26Å; K403-E471 VanDerWaalsContact CB-OE1 3.32Å; K403-E471 WeakPolarHBondContact CB-OE1 3.21Å
404	F	90.3	Very high	75.7	Confident	7 Å²	7	65.8 Å²	65.8	3%	0.031	38%	0.384	C	S	.	.	H	α-helix	trans	-51.5	-44.4	173.8	170.4	-90.1	0	0	0	111.1	D406 L407 Y408 L410 C425 V436 Y469 E471 Y476 V478	F404-D406 PolarHBondContact O-N 2.99Å; F404-D406 VanDerWaalsContact O-N 3.14Å; F404-L407 PolarHBondContact O-N 3.44Å; F404-Y408 HydrophobicContact CD2-CD2 4.32Å; F404-Y408 HydrophobicContact CD2-CG 4.42Å; F404-Y408 VanDerWaalsContact CE2-CB 3.48Å; F404-Y408 HydrophobicContact CE2-CD2 4.17Å; F404-Y408 AromaticContact CE2-CG 3.87Å; F404-Y408 HydrophobicContact CE2-CG 3.87Å; F404-Y408 HydrophobicContact CZ-CG 4.17Å; F404-Y408 PolarHBondContact O-N 2.93Å; F404-L410 HydrophobicContact CE1-CD2 3.55Å; F404-L410 HydrophobicContact CE1-CG 3.71Å; F404-L410 HydrophobicContact CZ-CD2 3.63Å; F404-L410 HydrophobicContact CZ-CG 4.28Å; F404-C425 HydrophobicContact CZ-CB 4.02Å; F404-V436 HydrophobicContact CD2-CG2 4.44Å; F404-V436 HydrophobicContact CE2-CB 4.17Å; F404-V436 HydrophobicContact CE2-CG1 4.37Å; F404-V436 HydrophobicContact CE2-CG2 3.76Å; F404-V436 HydrophobicContact CZ-CB 4.36Å; F404-V436 HydrophobicContact CZ-CG1 4.06Å; F404-V436 HydrophobicContact CZ-CG2 4.22Å; F404-Y469 HydrophobicContact CB-CD1 4.1Å; F404-Y469 HydrophobicContact CB-CD2 4.09Å; F404-Y469 HydrophobicContact CB-CG 3.82Å; F404-Y469 AromaticContact CD2-CD2 3.76Å; F404-Y469 HydrophobicContact CD2-CD2 3.76Å; F404-Y469 HydrophobicContact CD2-CE2 4.01Å; F404-Y469 HydrophobicContact CD2-CG 4.36Å; F404-Y469 HydrophobicContact CG-CD2 4.44Å; F404-E471 PolarHBondContact N-OE1 3.46Å; F404-Y476 HydrophobicContact CB-CD1 4.36Å; F404-Y476 HydrophobicContact CB-CD2 4.21Å; F404-Y476 HydrophobicContact CB-CE2 4.47Å; F404-Y476 HydrophobicContact CB-CG 4.15Å; F404-Y476 HydrophobicContact CD1-CD1 4.15Å; F404-Y476 HydrophobicContact CD1-CE1 4.23Å; F404-Y476 HydrophobicContact CD2-CD1 4.03Å; F404-Y476 HydrophobicContact CD2-CG 4.07Å; F404-Y476 HydrophobicContact CE2-CD1 4.41Å; F404-Y476 AromaticContact CG-CD1 3.88Å; F404-Y476 HydrophobicContact CG-CD1 3.88Å; F404-Y476 HydrophobicContact CG-CE1 4.3Å; F404-Y476 HydrophobicContact CG-CG 4.04Å; F404-V478 HydrophobicContact CD2-CG2 4.17Å; F404-V478 HydrophobicContact CE2-CG2 3.82Å
405	S	89.5	Confident	77.2	Confident	59 Å²	59	62.4 Å²	62.4	41%	0.413	37%	0.374	S	S	.	.	H	α-helix	trans	-60.7	-22.6	-179.6	58.3	0	0	0	0	114.5	K403 L407 R428	K403-S405 PolarHBondContact O-N 3.29Å; S405-L407 VanDerWaalsContact C-N 3.34Å; S405-R428 PolarHBondContact O-NE 2.77Å
406	D	87.5	Confident	78.3	Confident	87 Å²	87	67.1 Å²	67.1	47%	0.465	40%	0.402	S	S	.	.	H	α-helix	trans	-72.8	-32.1	-177.3	-57.4	-19.4	0	0	0	110.9	T402 K403 F404	T402-D406 HydrophobicContact CG2-CB 4.48Å; K403-D406 PolarHBondContact N-OD2 3.49Å; K403-D406 VanDerWaalsContact O-CB 3.26Å; K403-D406 WeakPolarHBondContact O-CB 3.36Å; K403-D406 PolarHBondContact O-N 3.24Å; F404-D406 PolarHBondContact O-N 2.99Å; F404-D406 VanDerWaalsContact O-N 3.14Å
407	L	88.6	Confident	78.8	Confident	47 Å²	47	65.5 Å²	65.5	25%	0.246	41%	0.405	C	S	.	.	H	α-helix	trans	-113.4	-23.8	-175.4	-67.4	177.1	0	0	0	113.5	T402 F404 S405 H427 R428 Y469	T402-L407 HydrophobicContact CG2-CD1 4.15Å; F404-L407 PolarHBondContact O-N 3.44Å; S405-L407 VanDerWaalsContact C-N 3.34Å; L407-H427 CarbonylContact O-C 3.58Å; L407-H427 WeakPolarHBondContact O-CA 3.24Å; L407-H427 PolarHBondContact O-CD2 2.86Å; L407-H427 VanDerWaalsContact O-CD2 3.27Å; L407-R428 WeakPolarHBondContact O-CG 3.39Å; L407-R428 PolarHBondContact O-N 2.69Å; L407-Y469 WeakPolarHBondContact CD1-OH 3.41Å
408	Y	93.9	Very high	79.3	Confident	6 Å²	6	69.5 Å²	69.5	2%	0.024	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	148.6	-175.2	-69.4	-89.2	0	0	0	112.4	F404 V426 H427 Y434 D467 Y469 V478	F404-Y408 HydrophobicContact CD2-CD2 4.32Å; F404-Y408 HydrophobicContact CD2-CG 4.42Å; F404-Y408 VanDerWaalsContact CE2-CB 3.48Å; F404-Y408 HydrophobicContact CE2-CD2 4.17Å; F404-Y408 AromaticContact CE2-CG 3.87Å; F404-Y408 HydrophobicContact CE2-CG 3.87Å; F404-Y408 HydrophobicContact CZ-CG 4.17Å; F404-Y408 PolarHBondContact O-N 2.93Å; Y408-V426 WeakPolarHBondContact CA-O 3.47Å; Y408-H427 HydrophobicContact CD1-CB 4.02Å; Y408-H427 HydrophobicContact CE1-CB 3.66Å; Y408-H427 AromaticContact CE1-CD2 3.86Å; Y408-H427 AromaticContact CE2-CD2 3.89Å; Y408-H427 AromaticContact CZ-CD2 3.62Å; Y408-Y434 HydrophobicContact CD1-CD2 4.4Å; Y408-Y434 AromaticContact CE1-CD2 3.61Å; Y408-Y434 HydrophobicContact CE1-CD2 3.61Å; Y408-Y434 HydrophobicContact CE1-CE2 4.06Å; Y408-Y434 HydrophobicContact CE1-CG 4.1Å; Y408-D467 WeakPolarHBondContact CE2-OD2 3.49Å; Y408-D467 PolarHBondContact OH-OD2 3.23Å; Y408-Y469 HydrophobicContact CD2-CE2 4.08Å; Y408-Y469 HydrophobicContact CE2-CE2 4.04Å; Y408-Y469 WeakPolarHBondContact CE2-OH 3.29Å; Y408-V478 HydrophobicContact CD1-CG1 4.45Å; Y408-V478 HydrophobicContact CD2-CG2 4.49Å; Y408-V478 HydrophobicContact CE1-CG1 3.79Å; Y408-V478 HydrophobicContact CE2-CG2 4.32Å
409	E	94.6	Very high	79.6	Confident	85 Å²	85	70 Å²	70	40%	0.397	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123	173.2	-172.9	168.8	147.9	0	0	110.2	C425 V426 R428	E409-C425 CarbonylContact O-C 3.5Å; E409-C425 WeakPolarHBondContact O-CA 3.49Å; E409-C425 VanDerWaalsContact O-CB 3.31Å; E409-C425 WeakPolarHBondContact O-CB 3.4Å; E409-V426 PolarHBondContact N-O 3.4Å; E409-V426 PolarHBondContact O-N 3.29Å; E409-R428 IonicContact OE2-CZ 3.75Å; E409-R428 IonicContact OE2-NH1 3.65Å; E409-R428 PolarHBondContact OE2-NH1 3.32Å; E409-R428 IonicContact OE2-NH2 2.73Å
410	L	95.4	Very high	81.4	Confident	71 Å²	71	67.1 Å²	67.1	37%	0.372	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	143.5	176.1	-68.2	177.9	0	0	0	111.3	F404 K423 C425 V436 I438	F404-L410 HydrophobicContact CE1-CD2 3.55Å; F404-L410 HydrophobicContact CE1-CG 3.71Å; F404-L410 HydrophobicContact CZ-CD2 3.63Å; F404-L410 HydrophobicContact CZ-CG 4.28Å; L410-K423 HydrophobicContact CB-CD 4.44Å; L410-K423 HydrophobicContact CD1-CD 4.21Å; L410-K423 HydrophobicContact CD2-CB 4.27Å; L410-K423 HydrophobicContact CD2-CD 4.07Å; L410-K423 HydrophobicContact CG-CD 4.47Å; L410-C425 HydrophobicContact CD2-CB 4.42Å; L410-V436 HydrophobicContact CD2-CG1 3.5Å; L410-V436 VanDerWaalsContact CD2-CG1 3.5Å; L410-I438 HydrophobicContact CD1-CD1 4.23Å; L410-I438 HydrophobicContact CD2-CD1 4.18Å
411	Q	94.6	Very high	83	Confident	65 Å²	65	66.7 Å²	66.7	30%	0.304	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	-148.2	178	-59	-76	-41.3	0	0	109.7	R424 V426	Q411-R424 WeakPolarHBondContact CA-O 3.21Å; Q411-R424 HydrophobicContact CB-CB 4.13Å; Q411-R424 HydrophobicContact CB-CG 4.48Å; Q411-R424 WeakPolarHBondContact CB-O 3.32Å; Q411-R424 PolarHBondContact N-O 2.8Å; Q411-V426 HydrophobicContact CG-CG2 4.01Å
412	E	92.3	Very high	84.6	Confident	97 Å²	97	63.1 Å²	63.1	45%	0.453	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	157.1	-177.8	70.1	-83.4	-171.5	0	0	114.1	I414 K423 R424	E412-I414 HydrophobicContact CG-CG2 4.43Å; E412-K423 WeakPolarHBondContact O-CA 3.43Å; E412-R424 VanDerWaalsContact CD-NE 3.29Å; E412-R424 PolarHBondContact O-N 2.88Å; E412-R424 IonicContact OE1-CZ 3.82Å; E412-R424 IonicContact OE1-NE 3.55Å; E412-R424 PolarHBondContact OE1-NE 3.01Å; E412-R424 IonicContact OE1-NH2 3.58Å; E412-R424 IonicContact OE2-CZ 2.8Å; E412-R424 IonicContact OE2-NE 2.74Å; E412-R424 PolarHBondContact OE2-NE 2.79Å; E412-R424 IonicContact OE2-NH2 3.39Å; E412-R424 PolarHBondContact OE2-NH2 2.79Å
413	D	90	Very high	85.7	Confident	93 Å²	93	62.9 Å²	62.9	50%	0.497	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	127.4	170.7	-68.2	-35.1	0	0	0	110.1	K423	D413-K423 WeakPolarHBondContact OD1-CE 3.48Å; D413-K423 WeakPolarHBondContact OD1-CG 3.34Å; D413-K423 IonicContact OD1-NZ 3.19Å; D413-K423 PolarHBondContact OD1-NZ 2.84Å; D413-K423 IonicContact OD2-NZ 2.72Å
414	I	86.9	Confident	86.1	Confident	82 Å²	82	59.1 Å²	59.1	42%	0.421	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-12.7	177	62.4	174.7	0	0	0	112.2	E412 C422 R424 A435 L481	E412-I414 HydrophobicContact CG-CG2 4.43Å; I414-C422 HydrophobicContact CD1-CB 4.47Å; I414-C422 HydrophobicContact CG1-CB 3.9Å; I414-C422 WeakPolarHBondContact CG1-O 3.34Å; I414-C422 PolarHBondContact N-O 3.32Å; I414-R424 HydrophobicContact CG2-CB 3.96Å; I414-A435 HydrophobicContact CD1-CB 3.68Å; I414-L481 HydrophobicContact CD1-CD1 4Å
415	G	78.9	Confident	86.4	Confident	28 Å²	28	58.8 Å²	58.8	29%	0.289	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.8	149.6	173.7	0	0	0	0	0	112.8	C422	G415-C422 PolarHBondContact N-O 3.27Å; G415-C422 VanDerWaalsContact N-O 3.07Å; G415-C422 PolarHBondContact O-N 3.16Å
416	V	72	Confident	86.6	Confident	121 Å²	121	57.3 Å²	57.3	73%	0.733	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	119.7	176.4	-176.7	0	0	0	0	108.6
417	G	66.2	Low	86.9	Confident	37 Å²	37	54.8 Å²	54.8	38%	0.381	31%	0.306	S	S	.	.			trans	-104.1	173.5	172.3	0	0	0	0	0	111.8	Y419 S420	G417-Y419 PolarHBondContact O-N 3.49Å; G417-S420 CarbonylContact C-O 3.57Å; G417-S420 WeakPolarHBondContact CA-O 3.46Å; G417-S420 PolarHBondContact N-O 3.47Å
418	S	63.2	Low	87	Confident	115 Å²	115	58.6 Å²	58.6	80%	0.804	32%	0.317	S	S	*	.	S	Bend	trans	-65.1	-26.3	-177	-48.3	0	0	0	0	113.9
419	Y	71.9	Confident	86.7	Confident	31 Å²	31	64.2 Å²	64.2	12%	0.122	35%	0.352	C	S	.	.	S	Bend	trans	-133.1	1.4	-175.2	47.1	-94.2	0	0	0	113.1	G417 R444 F550	G417-Y419 PolarHBondContact O-N 3.49Å; Y419-R444 HydrophobicContact CD2-CB 4.33Å; Y419-R444 HydrophobicContact CD2-CG 4.47Å; Y419-R444 HydrophobicContact CG-CB 4.32Å; Y419-R444 PolarHBondContact OH-NH1 3.08Å; Y419-F550 AromaticContact CE1-CE2 3.84Å; Y419-F550 HydrophobicContact CE1-CE2 3.84Å; Y419-F550 AromaticContact CE1-CZ 3.68Å; Y419-F550 HydrophobicContact CE1-CZ 3.68Å; Y419-F550 AromaticContact CZ-CE2 3.89Å; Y419-F550 WeakPolarHBondContact OH-CE2 3.27Å
420	S	83.1	Confident	86.5	Confident	6 Å²	6	63.6 Å²	63.6	4%	0.042	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	153.8	-176.9	62.1	0	0	0	0	112.3	G417 K437 I438	G417-S420 CarbonylContact C-O 3.57Å; G417-S420 WeakPolarHBondContact CA-O 3.46Å; G417-S420 PolarHBondContact N-O 3.47Å; S420-K437 VanDerWaalsContact OG-CE 3.3Å; S420-K437 WeakPolarHBondContact OG-CE 3.23Å; S420-I438 CarbonylContact C-O 3.57Å; S420-I438 WeakPolarHBondContact CA-O 3.38Å; S420-I438 WeakPolarHBondContact CB-O 3.44Å
421	I	89	Confident	86.2	Confident	77 Å²	77	62.6 Å²	62.6	40%	0.395	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.6	173.8	-57.2	172.8	0	0	0	107.9	K423 I438	I421-K423 HydrophobicContact CG2-CG 4.24Å; I421-I438 PolarHBondContact N-O 3.15Å; I421-I438 PolarHBondContact O-N 3.22Å
422	C	91.1	Very high	86.1	Confident	36 Å²	36	61.1 Å²	61.1	24%	0.243	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	124.9	174.8	-62.5	0	0	0	0	109.3	I414 G415 V436	I414-C422 HydrophobicContact CD1-CB 4.47Å; I414-C422 HydrophobicContact CG1-CB 3.9Å; I414-C422 WeakPolarHBondContact CG1-O 3.34Å; I414-C422 PolarHBondContact N-O 3.32Å; G415-C422 PolarHBondContact N-O 3.27Å; G415-C422 VanDerWaalsContact N-O 3.07Å; G415-C422 PolarHBondContact O-N 3.16Å; C422-V436 CarbonylContact C-O 3.57Å; C422-V436 VanDerWaalsContact CA-O 3.32Å; C422-V436 WeakPolarHBondContact CA-O 3.25Å
423	K	94.6	Very high	86.1	Confident	45 Å²	45	59.4 Å²	59.4	20%	0.196	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	151.9	177.6	-75.8	177.6	172.8	-70.9	0	110.9	L410 E412 D413 I421 A435 V436 I438	L410-K423 HydrophobicContact CB-CD 4.44Å; L410-K423 HydrophobicContact CD1-CD 4.21Å; L410-K423 HydrophobicContact CD2-CB 4.27Å; L410-K423 HydrophobicContact CD2-CD 4.07Å; L410-K423 HydrophobicContact CG-CD 4.47Å; E412-K423 WeakPolarHBondContact O-CA 3.43Å; D413-K423 WeakPolarHBondContact OD1-CE 3.48Å; D413-K423 WeakPolarHBondContact OD1-CG 3.34Å; D413-K423 IonicContact OD1-NZ 3.19Å; D413-K423 PolarHBondContact OD1-NZ 2.84Å; D413-K423 IonicContact OD2-NZ 2.72Å; I421-K423 HydrophobicContact CG2-CG 4.24Å; K423-A435 CarbonylContact O-C 3.43Å; K423-A435 WeakPolarHBondContact O-CA 2.96Å; K423-V436 HydrophobicContact CB-CG1 4.04Å; K423-V436 PolarHBondContact N-O 3.12Å; K423-V436 PolarHBondContact O-N 3.31Å; K423-I438 HydrophobicContact CD-CD1 4.04Å
424	R	95.1	Very high	86.4	Confident	46 Å²	46	57.3 Å²	57.3	17%	0.174	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	144.3	160.2	-174	175.1	65.4	84.7	8.4	108	Q411 E412 I414 D433 Y434 L481	Q411-R424 WeakPolarHBondContact CA-O 3.21Å; Q411-R424 HydrophobicContact CB-CB 4.13Å; Q411-R424 HydrophobicContact CB-CG 4.48Å; Q411-R424 WeakPolarHBondContact CB-O 3.32Å; Q411-R424 PolarHBondContact N-O 2.8Å; E412-R424 VanDerWaalsContact CD-NE 3.29Å; E412-R424 PolarHBondContact O-N 2.88Å; E412-R424 IonicContact OE1-CZ 3.82Å; E412-R424 IonicContact OE1-NE 3.55Å; E412-R424 PolarHBondContact OE1-NE 3.01Å; E412-R424 IonicContact OE1-NH2 3.58Å; E412-R424 IonicContact OE2-CZ 2.8Å; E412-R424 IonicContact OE2-NE 2.74Å; E412-R424 PolarHBondContact OE2-NE 2.79Å; E412-R424 IonicContact OE2-NH2 3.39Å; E412-R424 PolarHBondContact OE2-NH2 2.79Å; I414-R424 HydrophobicContact CG2-CB 3.96Å; R424-D433 IonicContact CZ-OD1 2.69Å; R424-D433 IonicContact NH1-OD1 3.28Å; R424-D433 PolarHBondContact NH1-OD1 2.84Å; R424-Y434 CarbonylContact C-O 3.59Å; R424-Y434 WeakPolarHBondContact CA-O 3.42Å; R424-L481 HydrophobicContact CG-CD2 4.17Å
425	C	95.6	Very high	86.7	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	154.3	170.5	64.8	0	0	0	0	110.8	F404 E409 L410 Y434 V436	F404-C425 HydrophobicContact CZ-CB 4.02Å; E409-C425 CarbonylContact O-C 3.5Å; E409-C425 WeakPolarHBondContact O-CA 3.49Å; E409-C425 VanDerWaalsContact O-CB 3.31Å; E409-C425 WeakPolarHBondContact O-CB 3.4Å; L410-C425 HydrophobicContact CD2-CB 4.42Å; C425-Y434 PolarHBondContact N-O 2.9Å; C425-Y434 PolarHBondContact O-N 3.24Å; C425-V436 HydrophobicContact CB-CG1 3.93Å
426	V	94.8	Very high	87.5	Confident	29 Å²	29	52.6 Å²	52.6	18%	0.176	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.6	179.7	-179.4	0	0	0	0	108.5	Y408 E409 Q411 R428 A432	Y408-V426 WeakPolarHBondContact CA-O 3.47Å; E409-V426 PolarHBondContact N-O 3.4Å; E409-V426 PolarHBondContact O-N 3.29Å; Q411-V426 HydrophobicContact CG-CG2 4.01Å; V426-R428 PolarHBondContact O-N 2.74Å; V426-A432 WeakPolarHBondContact CA-O 3.41Å
427	H	92.6	Very high	88.5	Confident	34 Å²	34	47.7 Å²	47.7	16%	0.157	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	121	173.4	-177.8	-110.1	0	0	0	109.5	L407 Y408 V429 S430 G431 A432 Y434	L407-H427 CarbonylContact O-C 3.58Å; L407-H427 WeakPolarHBondContact O-CA 3.24Å; L407-H427 PolarHBondContact O-CD2 2.86Å; L407-H427 VanDerWaalsContact O-CD2 3.27Å; Y408-H427 HydrophobicContact CD1-CB 4.02Å; Y408-H427 HydrophobicContact CE1-CB 3.66Å; Y408-H427 AromaticContact CE1-CD2 3.86Å; Y408-H427 AromaticContact CE2-CD2 3.89Å; Y408-H427 AromaticContact CZ-CD2 3.62Å; H427-V429 VanDerWaalsContact C-N 3.27Å; H427-V429 PolarHBondContact O-N 2.78Å; H427-S430 WeakPolarHBondContact CB-OG 3.3Å; H427-S430 PolarHBondContact ND1-N 2.84Å; H427-S430 PolarHBondContact ND1-OG 3.36Å; H427-S430 PolarHBondContact O-N 2.84Å; H427-G431 VanDerWaalsContact O-CA 3.31Å; H427-G431 WeakPolarHBondContact O-CA 3.47Å; H427-G431 PolarHBondContact O-N 3.1Å; H427-A432 PolarHBondContact N-O 2.83Å; H427-Y434 HydrophobicContact CB-CD2 4.06Å; H427-Y434 HydrophobicContact CB-CE2 3.66Å
428	R	90.8	Very high	89.8	Confident	126 Å²	126	47 Å²	47	48%	0.475	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-34.6	-168.5	-68.7	-176.1	175.3	-66.1	-4.9	113.5	S405 L407 E409 V426	S405-R428 PolarHBondContact O-NE 2.77Å; L407-R428 WeakPolarHBondContact O-CG 3.39Å; L407-R428 PolarHBondContact O-N 2.69Å; E409-R428 IonicContact OE2-CZ 3.75Å; E409-R428 IonicContact OE2-NH1 3.65Å; E409-R428 PolarHBondContact OE2-NH1 3.32Å; E409-R428 IonicContact OE2-NH2 2.73Å; V426-R428 PolarHBondContact O-N 2.74Å
429	V	88.2	Confident	91	Very high	124 Å²	124	41.6 Å²	41.6	75%	0.752	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-45.9	-175.7	-178.9	0	0	0	0	111.9	H427	H427-V429 VanDerWaalsContact C-N 3.27Å; H427-V429 PolarHBondContact O-N 2.78Å
430	S	90.3	Very high	91.7	Very high	73 Å²	73	40.6 Å²	40.6	51%	0.51	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-16.8	-175.7	62.5	0	0	0	0	113.3	H427 A432	H427-S430 WeakPolarHBondContact CB-OG 3.3Å; H427-S430 PolarHBondContact ND1-N 2.84Å; H427-S430 PolarHBondContact ND1-OG 3.36Å; H427-S430 PolarHBondContact O-N 2.84Å; S430-A432 PolarHBondContact O-N 2.96Å; S430-A432 WeakPolarHBondContact OG-CB 3.46Å; S430-A432 PolarHBondContact OG-N 2.83Å
431	G	89.6	Confident	91.7	Very high	50 Å²	50	43.8 Å²	43.8	52%	0.515	24%	0.241	S	C	.	.			trans	67.9	9.7	-172.1	0	0	0	0	0	114	H427	H427-G431 VanDerWaalsContact O-CA 3.31Å; H427-G431 WeakPolarHBondContact O-CA 3.47Å; H427-G431 PolarHBondContact O-N 3.1Å
432	A	91.2	Very high	91.2	Very high	34 Å²	34	44.3 Å²	44.3	28%	0.281	25%	0.251	S	S	.	.			trans	-78.7	141.1	-177.2	0	0	0	0	0	111.9	V426 H427 S430 Y434	V426-A432 WeakPolarHBondContact CA-O 3.41Å; H427-A432 PolarHBondContact N-O 2.83Å; S430-A432 PolarHBondContact O-N 2.96Å; S430-A432 WeakPolarHBondContact OG-CB 3.46Å; S430-A432 PolarHBondContact OG-N 2.83Å; A432-Y434 HydrophobicContact CB-CD2 4.46Å; A432-Y434 HydrophobicContact CB-CE2 3.62Å; A432-Y434 WeakPolarHBondContact O-CD2 3.45Å; A432-Y434 WeakPolarHBondContact O-CE2 3.42Å
433	D	93.9	Very high	90.4	Very high	60 Å²	60	49.4 Å²	49.4	32%	0.321	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	136.3	175.9	-68.4	-69.2	0	0	0	112.3	R424 L481	R424-D433 IonicContact CZ-OD1 2.69Å; R424-D433 IonicContact NH1-OD1 3.28Å; R424-D433 PolarHBondContact NH1-OD1 2.84Å; D433-L481 HydrophobicContact CB-CD2 3.8Å
434	Y	95	Very high	89.6	Confident	49 Å²	49	49.6 Å²	49.6	19%	0.192	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	166.3	176.2	-64.1	-85.1	0	0	0	110.5	Y408 R424 C425 H427 A432 K466 V478 T479	Y408-Y434 HydrophobicContact CD1-CD2 4.4Å; Y408-Y434 AromaticContact CE1-CD2 3.61Å; Y408-Y434 HydrophobicContact CE1-CD2 3.61Å; Y408-Y434 HydrophobicContact CE1-CE2 4.06Å; Y408-Y434 HydrophobicContact CE1-CG 4.1Å; R424-Y434 CarbonylContact C-O 3.59Å; R424-Y434 WeakPolarHBondContact CA-O 3.42Å; C425-Y434 PolarHBondContact N-O 2.9Å; C425-Y434 PolarHBondContact O-N 3.24Å; H427-Y434 HydrophobicContact CB-CD2 4.06Å; H427-Y434 HydrophobicContact CB-CE2 3.66Å; A432-Y434 HydrophobicContact CB-CD2 4.46Å; A432-Y434 HydrophobicContact CB-CE2 3.62Å; A432-Y434 WeakPolarHBondContact O-CD2 3.45Å; A432-Y434 WeakPolarHBondContact O-CE2 3.42Å; Y434-K466 HydrophobicContact CD1-CG 4.2Å; Y434-K466 HydrophobicContact CE1-CG 4.03Å; Y434-V478 HydrophobicContact CD1-CG1 4.29Å; Y434-V478 HydrophobicContact CG-CG1 4.09Å; Y434-T479 WeakPolarHBondContact CB-O 3.39Å
435	A	94.3	Very high	88.6	Confident	10 Å²	10	52.5 Å²	52.5	8%	0.083	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	145.6	165.3	0	0	0	0	0	108.9	I414 K423 V478 T479 L481	I414-A435 HydrophobicContact CD1-CB 3.68Å; K423-A435 CarbonylContact O-C 3.43Å; K423-A435 WeakPolarHBondContact O-CA 2.96Å; A435-V478 CarbonylContact O-C 3.54Å; A435-V478 WeakPolarHBondContact O-CA 3.38Å; A435-T479 PolarHBondContact N-O 3.43Å; A435-T479 PolarHBondContact O-N 3.33Å; A435-L481 HydrophobicContact CB-CD1 4.12Å
436	V	94.9	Very high	87.8	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.006	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	124.7	171.7	61.1	0	0	0	0	110.2	F404 L410 C422 K423 C425 I438 Y476 L477 V478	F404-V436 HydrophobicContact CD2-CG2 4.44Å; F404-V436 HydrophobicContact CE2-CB 4.17Å; F404-V436 HydrophobicContact CE2-CG1 4.37Å; F404-V436 HydrophobicContact CE2-CG2 3.76Å; F404-V436 HydrophobicContact CZ-CB 4.36Å; F404-V436 HydrophobicContact CZ-CG1 4.06Å; F404-V436 HydrophobicContact CZ-CG2 4.22Å; L410-V436 HydrophobicContact CD2-CG1 3.5Å; L410-V436 VanDerWaalsContact CD2-CG1 3.5Å; C422-V436 CarbonylContact C-O 3.57Å; C422-V436 VanDerWaalsContact CA-O 3.32Å; C422-V436 WeakPolarHBondContact CA-O 3.25Å; K423-V436 HydrophobicContact CB-CG1 4.04Å; K423-V436 PolarHBondContact N-O 3.12Å; K423-V436 PolarHBondContact O-N 3.31Å; C425-V436 HydrophobicContact CB-CG1 3.93Å; V436-I438 HydrophobicContact CG1-CG1 4.48Å; V436-I438 HydrophobicContact CG2-CG1 4.27Å; V436-Y476 HydrophobicContact CG2-CD1 4.04Å; V436-Y476 HydrophobicContact CG2-CG 4.45Å; V436-L477 CarbonylContact C-O 3.55Å; V436-L477 VanDerWaalsContact CA-O 3.3Å; V436-L477 WeakPolarHBondContact CA-O 3.49Å; V436-V478 HydrophobicContact CB-CG2 4.47Å; V436-V478 HydrophobicContact CG2-CG2 4.16Å
437	K	92.9	Very high	86.7	Confident	19 Å²	19	54.5 Å²	54.5	8%	0.083	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	116	171.3	-171.8	-178.8	-168.6	-171.1	0	108.5	S420 I439 E449 L477 D547	S420-K437 VanDerWaalsContact OG-CE 3.3Å; S420-K437 WeakPolarHBondContact OG-CE 3.23Å; K437-I439 HydrophobicContact CD-CD1 4.17Å; K437-I439 HydrophobicContact CD-CG1 4.4Å; K437-I439 HydrophobicContact CG-CD1 4.32Å; K437-I439 HydrophobicContact CG-CG1 4.06Å; K437-E449 IonicContact NZ-OE1 2.6Å; K437-E449 PolarHBondContact NZ-OE1 3.14Å; K437-E449 IonicContact NZ-OE2 3.68Å; K437-E449 PolarHBondContact NZ-OE2 3.39Å; K437-L477 HydrophobicContact CB-CB 4.25Å; K437-L477 PolarHBondContact N-O 2.99Å; K437-L477 PolarHBondContact O-N 3.35Å; K437-D547 IonicContact NZ-OD1 3.53Å; K437-D547 PolarHBondContact NZ-OD1 3.38Å
438	I	93.4	Very high	85.6	Confident	23 Å²	23	56 Å²	56	12%	0.118	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	114.9	-178.9	-48.9	177.4	0	0	0	108	L410 S420 I421 K423 V436 Y474 V475 Y476	L410-I438 HydrophobicContact CD1-CD1 4.23Å; L410-I438 HydrophobicContact CD2-CD1 4.18Å; S420-I438 CarbonylContact C-O 3.57Å; S420-I438 WeakPolarHBondContact CA-O 3.38Å; S420-I438 WeakPolarHBondContact CB-O 3.44Å; I421-I438 PolarHBondContact N-O 3.15Å; I421-I438 PolarHBondContact O-N 3.22Å; K423-I438 HydrophobicContact CD-CD1 4.04Å; V436-I438 HydrophobicContact CG1-CG1 4.48Å; V436-I438 HydrophobicContact CG2-CG1 4.27Å; I438-Y474 HydrophobicContact CG2-CD1 3.93Å; I438-Y474 HydrophobicContact CG2-CG 4.26Å; I438-V475 WeakPolarHBondContact CA-O 3.46Å; I438-Y476 HydrophobicContact CB-CD1 4.43Å; I438-Y476 HydrophobicContact CD1-CD1 4.17Å; I438-Y476 HydrophobicContact CD1-CE1 3.92Å; I438-Y476 HydrophobicContact CG1-CD1 3.76Å; I438-Y476 HydrophobicContact CG1-CE1 3.95Å; I438-Y476 HydrophobicContact CG2-CD1 4.15Å; I438-Y476 HydrophobicContact CG2-CE1 3.87Å
439	I	89.2	Confident	85.2	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129.5	-173.4	-54.8	175.5	0	0	0	109.5	K437 K441 R444 P446 Y474 V475 L477	K437-I439 HydrophobicContact CD-CD1 4.17Å; K437-I439 HydrophobicContact CD-CG1 4.4Å; K437-I439 HydrophobicContact CG-CD1 4.32Å; K437-I439 HydrophobicContact CG-CG1 4.06Å; I439-K441 PolarHBondContact O-N 3.26Å; I439-R444 HydrophobicContact CG2-CB 4.42Å; I439-P446 HydrophobicContact CD1-CB 3.62Å; I439-P446 HydrophobicContact CG2-CB 4.25Å; I439-Y474 CarbonylContact O-C 3.56Å; I439-Y474 VanDerWaalsContact O-CA 3.27Å; I439-Y474 WeakPolarHBondContact O-CA 3.47Å; I439-V475 PolarHBondContact N-O 2.87Å; I439-V475 PolarHBondContact O-N 2.85Å; I439-L477 HydrophobicContact CD1-CD1 3.67Å; I439-L477 HydrophobicContact CD1-CG 4.15Å
440	D	87.1	Confident	84.8	Confident	11 Å²	11	45.5 Å²	45.5	6%	0.059	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	110.7	174.3	-173.1	-6.4	0	0	0	110.3	S442 K443 R444 R473 Y474	D440-S442 PolarHBondContact O-N 3.49Å; D440-S442 VanDerWaalsContact O-N 3.14Å; D440-S442 PolarHBondContact OD1-N 2.91Å; D440-S442 PolarHBondContact OD1-OG 2.8Å; D440-S442 VanDerWaalsContact OD1-OG 3.05Å; D440-S442 PolarHBondContact OD2-OG 3.33Å; D440-K443 HydrophobicContact CB-CB 4.41Å; D440-K443 HydrophobicContact CB-CD 4.21Å; D440-K443 HydrophobicContact CB-CG 4.21Å; D440-K443 PolarHBondContact O-N 2.92Å; D440-R444 PolarHBondContact O-N 2.88Å; D440-R444 VanDerWaalsContact O-N 3.12Å; D440-R473 VanDerWaalsContact OD1-CG 3.29Å; D440-R473 WeakPolarHBondContact OD1-CG 3.44Å; D440-R473 IonicContact OD1-CZ 2.88Å; D440-R473 IonicContact OD1-NE 2.63Å; D440-R473 PolarHBondContact OD1-NE 2.9Å; D440-R473 IonicContact OD1-NH2 3.44Å; D440-R473 IonicContact OD2-CZ 3.27Å; D440-R473 IonicContact OD2-NE 3.06Å; D440-R473 PolarHBondContact OD2-NE 3.31Å; D440-R473 IonicContact OD2-NH2 2.77Å; D440-R473 PolarHBondContact OD2-NH2 2.82Å; D440-Y474 HydrophobicContact CB-CD1 4.25Å; D440-Y474 HydrophobicContact CB-CE1 3.96Å
441	K	82.8	Confident	84	Confident	73 Å²	73	42.9 Å²	42.9	32%	0.317	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.7	-177.6	-70.4	-173.6	-74.6	-173.1	0	113.1	I439 K443 R444 D470 D472 R473 V475	I439-K441 PolarHBondContact O-N 3.26Å; K441-K443 PolarHBondContact O-N 3.33Å; K441-R444 WeakPolarHBondContact CA-O 3.14Å; K441-D470 WeakPolarHBondContact CE-OD1 3.45Å; K441-D470 IonicContact NZ-OD1 3.39Å; K441-D470 PolarHBondContact NZ-OD1 3.34Å; K441-D472 WeakPolarHBondContact CE-O 3.37Å; K441-D472 PolarHBondContact NZ-O 2.69Å; K441-R473 WeakPolarHBondContact CB-O 3.42Å; K441-R473 VanDerWaalsContact CE-C 3.48Å; K441-R473 PolarHBondContact N-O 3.24Å; K441-V475 HydrophobicContact CD-CG2 3.64Å; K441-V475 HydrophobicContact CG-CG2 3.68Å
442	S	78.5	Confident	83.4	Confident	88 Å²	88	40.5 Å²	40.5	62%	0.615	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-18.6	176.7	80.4	0	0	0	0	112.7	D440	D440-S442 PolarHBondContact O-N 3.49Å; D440-S442 VanDerWaalsContact O-N 3.14Å; D440-S442 PolarHBondContact OD1-N 2.91Å; D440-S442 PolarHBondContact OD1-OG 2.8Å; D440-S442 VanDerWaalsContact OD1-OG 3.05Å; D440-S442 PolarHBondContact OD2-OG 3.33Å
443	K	74.9	Confident	83	Confident	143 Å²	143	39.2 Å²	39.2	62%	0.622	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-34.3	-178.4	-62.6	-175.4	-177.3	-179.7	0	112.4	D440 K441	D440-K443 HydrophobicContact CB-CB 4.41Å; D440-K443 HydrophobicContact CB-CD 4.21Å; D440-K443 HydrophobicContact CB-CG 4.21Å; D440-K443 PolarHBondContact O-N 2.92Å; K441-K443 PolarHBondContact O-N 3.33Å
444	R	75.9	Confident	82.1	Confident	49 Å²	49	37.4 Å²	37.4	19%	0.185	19%	0.192	C	C	.	.			trans	-153	137.6	-177.8	-171.7	177.8	-169.7	131	9.9	111	Y419 I439 D440 K441 P446 G549 F550	Y419-R444 HydrophobicContact CD2-CB 4.33Å; Y419-R444 HydrophobicContact CD2-CG 4.47Å; Y419-R444 HydrophobicContact CG-CB 4.32Å; Y419-R444 PolarHBondContact OH-NH1 3.08Å; I439-R444 HydrophobicContact CG2-CB 4.42Å; D440-R444 PolarHBondContact O-N 2.88Å; D440-R444 VanDerWaalsContact O-N 3.12Å; K441-R444 WeakPolarHBondContact CA-O 3.14Å; R444-P446 WeakPolarHBondContact O-CD 3.47Å; R444-G549 PolarHBondContact NH2-O 2.91Å; R444-F550 VanDerWaalsContact NH1-CZ 3.3Å; R444-F550 VanDerWaalsContact NH2-CD1 3.33Å
445	D	74.9	Confident	81.3	Confident	107 Å²	107	37.5 Å²	37.5	57%	0.572	19%	0.192	S	C	*	.			trans	-81.1	117	167.7	-176.5	0.7	0	0	0	110	S447	D445-S447 VanDerWaalsContact C-N 3.34Å; D445-S447 VanDerWaalsContact OD1-CB 3.25Å; D445-S447 WeakPolarHBondContact OD1-CB 3.46Å; D445-S447 PolarHBondContact OD1-N 3.11Å; D445-S447 PolarHBondContact OD1-OG 3.13Å
446	P	78.9	Confident	80.7	Confident	5 Å²	5	38 Å²	38	3%	0.032	19%	0.192	C	C	.	.			trans	-86.4	0.5	-179.8	35.5	-34.9	0	0	0	114	I439 R444 E448 E449 I450 V475	I439-P446 HydrophobicContact CD1-CB 3.62Å; I439-P446 HydrophobicContact CG2-CB 4.25Å; R444-P446 WeakPolarHBondContact O-CD 3.47Å; P446-E448 VanDerWaalsContact C-N 3.31Å; P446-E448 PolarHBondContact O-N 3.38Å; P446-E449 PolarHBondContact O-N 3Å; P446-E449 VanDerWaalsContact O-N 3.13Å; P446-I450 HydrophobicContact CB-CD1 4.09Å; P446-I450 HydrophobicContact CG-CD1 4.1Å; P446-I450 WeakPolarHBondContact O-CD1 3.13Å; P446-I450 WeakPolarHBondContact O-CG1 3.43Å; P446-I450 PolarHBondContact O-N 3.49Å; P446-V475 HydrophobicContact CG-CB 3.85Å; P446-V475 HydrophobicContact CG-CG1 4.05Å; P446-V475 HydrophobicContact CG-CG2 3.73Å
447	S	72.5	Confident	80	Confident	65 Å²	65	38.2 Å²	38.2	46%	0.455	19%	0.193	S	C	.	.	H	α-helix	trans	-54.9	-43.7	-171.9	-60	0	0	0	0	113.3	D445 I450 E451	D445-S447 VanDerWaalsContact C-N 3.34Å; D445-S447 VanDerWaalsContact OD1-CB 3.25Å; D445-S447 WeakPolarHBondContact OD1-CB 3.46Å; D445-S447 PolarHBondContact OD1-N 3.11Å; D445-S447 PolarHBondContact OD1-OG 3.13Å; S447-I450 PolarHBondContact O-N 3.24Å; S447-E451 WeakPolarHBondContact O-CB 3.36Å; S447-E451 PolarHBondContact O-N 3.28Å
448	E	69.6	Low	79.3	Confident	65 Å²	65	42.8 Å²	42.8	30%	0.304	22%	0.215	S	C	.	.	H	α-helix	trans	-65.8	-43.4	179.2	-170.8	74.3	-169.4	0	0	111.9	P446 I450 E451 I452 Q553	P446-E448 VanDerWaalsContact C-N 3.31Å; P446-E448 PolarHBondContact O-N 3.38Å; E448-I450 PolarHBondContact O-N 3.43Å; E448-E451 PolarHBondContact O-N 3.33Å; E448-I452 HydrophobicContact CG-CD1 3.99Å; E448-I452 WeakPolarHBondContact O-CG1 3.4Å; E448-I452 PolarHBondContact O-N 3.13Å; E448-Q553 WeakPolarHBondContact OE1-CB 3.24Å; E448-Q553 PolarHBondContact OE1-N 3.48Å; E448-Q553 VanDerWaalsContact OE1-N 3.12Å
449	E	82.6	Confident	79	Confident	5 Å²	5	43 Å²	43	2%	0.023	22%	0.216	C	C	.	.	H	α-helix	trans	-62	-45.7	178.2	176	171.9	-165.5	0	0	110.7	K437 P446 E451 I452 L453 L477 F548 G549	K437-E449 IonicContact NZ-OE1 2.6Å; K437-E449 PolarHBondContact NZ-OE1 3.14Å; K437-E449 IonicContact NZ-OE2 3.68Å; K437-E449 PolarHBondContact NZ-OE2 3.39Å; P446-E449 PolarHBondContact O-N 3Å; P446-E449 VanDerWaalsContact O-N 3.13Å; E449-E451 VanDerWaalsContact C-N 3.3Å; E449-E451 PolarHBondContact O-N 3.44Å; E449-I452 PolarHBondContact O-N 2.69Å; E449-L453 HydrophobicContact CG-CD1 4.02Å; E449-L453 WeakPolarHBondContact O-CB 3.46Å; E449-L453 VanDerWaalsContact O-CG 3.29Å; E449-L453 WeakPolarHBondContact O-CG 3.41Å; E449-L453 PolarHBondContact O-N 3.28Å; E449-L477 HydrophobicContact CG-CD1 4.25Å; E449-F548 HydrophobicContact CG-CB 4.08Å; E449-G549 VanDerWaalsContact CD-CA 3.47Å; E449-G549 VanDerWaalsContact CD-N 3.35Å; E449-G549 PolarHBondContact OE1-N 3.24Å; E449-G549 VanDerWaalsContact OE2-CA 3.24Å; E449-G549 WeakPolarHBondContact OE2-CA 2.99Å
450	I	78.9	Confident	79.1	Confident	26 Å²	26	47 Å²	47	13%	0.133	24%	0.241	C	C	.	.	H	α-helix	trans	-58	-47.1	176.7	-67.6	160.7	0	0	0	110.2	P446 S447 E448 L453 M454 L465 V468 V475 L477	P446-I450 HydrophobicContact CB-CD1 4.09Å; P446-I450 HydrophobicContact CG-CD1 4.1Å; P446-I450 WeakPolarHBondContact O-CD1 3.13Å; P446-I450 WeakPolarHBondContact O-CG1 3.43Å; P446-I450 PolarHBondContact O-N 3.49Å; S447-I450 PolarHBondContact O-N 3.24Å; E448-I450 PolarHBondContact O-N 3.43Å; I450-L453 PolarHBondContact O-N 2.66Å; I450-M454 HydrophobicContact CG2-CG 4.22Å; I450-M454 HydrophobicContact CG2-SD 3.85Å; I450-M454 WeakPolarHBondContact O-CB 3.47Å; I450-M454 VanDerWaalsContact O-CG 3.25Å; I450-M454 WeakPolarHBondContact O-CG 3.49Å; I450-M454 PolarHBondContact O-N 3.21Å; I450-L465 HydrophobicContact CG2-CD2 4.37Å; I450-V468 HydrophobicContact CD1-CG1 4.1Å; I450-V468 HydrophobicContact CG2-CG2 4.17Å; I450-V475 HydrophobicContact CD1-CG1 4.05Å; I450-L477 HydrophobicContact CD1-CD2 3.85Å; I450-L477 HydrophobicContact CG1-CD1 4.23Å; I450-L477 HydrophobicContact CG1-CD2 3.43Å; I450-L477 VanDerWaalsContact CG1-CD2 3.43Å; I450-L477 HydrophobicContact CG1-CG 4.48Å
451	E	73.6	Confident	79.4	Confident	17 Å²	17	47.2 Å²	47.2	8%	0.079	24%	0.243	C	C	.	.	H	α-helix	trans	-65.7	-44.8	-175.9	-172.9	172.4	142.9	0	0	112.8	R145 A334 S447 E448 E449 L453 M454 R455	R145-E451 IonicContact CZ-OE1 3.87Å; R145-E451 IonicContact CZ-OE2 2.91Å; R145-E451 IonicContact NH1-OE1 3.8Å; R145-E451 IonicContact NH1-OE2 3.24Å; R145-E451 PolarHBondContact NH1-OE2 2.93Å; R145-E451 IonicContact NH2-OE1 3.15Å; R145-E451 PolarHBondContact NH2-OE1 2.91Å; R145-E451 IonicContact NH2-OE2 2.63Å; R145-E451 PolarHBondContact NH2-OE2 3.06Å; A334-E451 HydrophobicContact CB-CG 4.03Å; S447-E451 WeakPolarHBondContact O-CB 3.36Å; S447-E451 PolarHBondContact O-N 3.28Å; E448-E451 PolarHBondContact O-N 3.33Å; E449-E451 VanDerWaalsContact C-N 3.3Å; E449-E451 PolarHBondContact O-N 3.44Å; E451-L453 VanDerWaalsContact C-N 3.32Å; E451-L453 PolarHBondContact O-N 3.27Å; E451-M454 PolarHBondContact O-N 3.3Å; E451-R455 WeakPolarHBondContact O-CB 3.13Å; E451-R455 WeakPolarHBondContact O-CG 3.41Å; E451-R455 PolarHBondContact O-N 3.27Å; E451-R455 IonicContact OE1-CZ 2.83Å; E451-R455 IonicContact OE1-NE 2.69Å; E451-R455 IonicContact OE1-NH1 3.44Å; E451-R455 PolarHBondContact OE1-NH1 3.19Å; E451-R455 IonicContact OE1-NH2 3.39Å; E451-R455 PolarHBondContact OE1-NH2 3.06Å
452	I	76.3	Confident	79.9	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-60.3	-45.5	175.8	-70.2	170.7	0	0	0	109.7	E448 E449 R455 Y456 V521 F548 A551	E448-I452 HydrophobicContact CG-CD1 3.99Å; E448-I452 WeakPolarHBondContact O-CG1 3.4Å; E448-I452 PolarHBondContact O-N 3.13Å; E449-I452 PolarHBondContact O-N 2.69Å; I452-R455 PolarHBondContact O-N 2.77Å; I452-Y456 HydrophobicContact CG2-CD2 4Å; I452-Y456 WeakPolarHBondContact O-CB 3.11Å; I452-Y456 VanDerWaalsContact O-CD2 3.28Å; I452-Y456 WeakPolarHBondContact O-CD2 3.23Å; I452-Y456 PolarHBondContact O-N 2.61Å; I452-V521 HydrophobicContact CD1-CG1 4.22Å; I452-V521 HydrophobicContact CG2-CG1 4.12Å; I452-F548 HydrophobicContact CG2-CD1 3.52Å; I452-F548 HydrophobicContact CG2-CE1 4.05Å; I452-F548 HydrophobicContact CG2-CG 4.26Å; I452-A551 HydrophobicContact CD1-CB 3.67Å
453	L	82.8	Confident	80.6	Confident	6 Å²	6	40 Å²	40	3%	0.031	20%	0.201	C	C	.	.	H	α-helix	trans	-67	-37.5	178.7	-70.7	175.9	0	0	0	112.7	E449 I450 E451 G457 I462 I463 L465 F548	E449-L453 HydrophobicContact CG-CD1 4.02Å; E449-L453 WeakPolarHBondContact O-CB 3.46Å; E449-L453 VanDerWaalsContact O-CG 3.29Å; E449-L453 WeakPolarHBondContact O-CG 3.41Å; E449-L453 PolarHBondContact O-N 3.28Å; I450-L453 PolarHBondContact O-N 2.66Å; E451-L453 VanDerWaalsContact C-N 3.32Å; E451-L453 PolarHBondContact O-N 3.27Å; L453-G457 VanDerWaalsContact O-CA 3.23Å; L453-G457 WeakPolarHBondContact O-CA 3.4Å; L453-G457 PolarHBondContact O-N 3.32Å; L453-I462 HydrophobicContact CD2-CG2 4.23Å; L453-I463 HydrophobicContact CD2-CG2 3.64Å; L453-L465 HydrophobicContact CB-CB 4.02Å; L453-L465 HydrophobicContact CB-CD2 4.01Å; L453-F548 HydrophobicContact CD2-CB 4.25Å; L453-F548 HydrophobicContact CD2-CD2 3.57Å; L453-F548 HydrophobicContact CD2-CE2 4.12Å; L453-F548 HydrophobicContact CD2-CG 3.97Å; L453-F548 HydrophobicContact CG-CB 4.29Å; L453-F548 HydrophobicContact CG-CD2 4.48Å; L453-F548 HydrophobicContact CG-CG 4.49Å
454	M	75.6	Confident	81.2	Confident	22 Å²	22	34.7 Å²	34.7	11%	0.108	18%	0.18	C	C	.	.	H	α-helix	trans	-65.4	-37.7	174.8	-74.9	-176	113.5	0	0	112.2	F342 V395 V397 I450 E451 L465	F342-M454 HydrophobicContact CE2-CE 4.15Å; F342-M454 HydrophobicContact CZ-CE 4.41Å; V395-M454 HydrophobicContact CB-CE 3.94Å; V395-M454 HydrophobicContact CG1-CE 3.98Å; V395-M454 HydrophobicContact CG1-CG 4.41Å; V397-M454 HydrophobicContact CG2-CE 3.44Å; V397-M454 VanDerWaalsContact CG2-CE 3.44Å; V397-M454 HydrophobicContact CG2-SD 4.27Å; I450-M454 HydrophobicContact CG2-CG 4.22Å; I450-M454 HydrophobicContact CG2-SD 3.85Å; I450-M454 WeakPolarHBondContact O-CB 3.47Å; I450-M454 VanDerWaalsContact O-CG 3.25Å; I450-M454 WeakPolarHBondContact O-CG 3.49Å; I450-M454 PolarHBondContact O-N 3.21Å; E451-M454 PolarHBondContact O-N 3.3Å; M454-L465 HydrophobicContact CG-CD2 4Å
455	R	77.2	Confident	81.8	Confident	52 Å²	52	32.5 Å²	32.5	20%	0.196	17%	0.172	C	C	.	.	H	α-helix	trans	-77.2	-44.8	179.7	-76.5	-171.8	178.7	131.9	11.8	113.3	K332 E451 I452	K332-R455 PolarHBondContact O-NE 2.79Å; K332-R455 PolarHBondContact O-NH2 2.86Å; E451-R455 WeakPolarHBondContact O-CB 3.13Å; E451-R455 WeakPolarHBondContact O-CG 3.41Å; E451-R455 PolarHBondContact O-N 3.27Å; E451-R455 IonicContact OE1-CZ 2.83Å; E451-R455 IonicContact OE1-NE 2.69Å; E451-R455 IonicContact OE1-NH1 3.44Å; E451-R455 PolarHBondContact OE1-NH1 3.19Å; E451-R455 IonicContact OE1-NH2 3.39Å; E451-R455 PolarHBondContact OE1-NH2 3.06Å; I452-R455 PolarHBondContact O-N 2.77Å
456	Y	82.3	Confident	82.4	Confident	21 Å²	21	30.4 Å²	30.4	8%	0.082	16%	0.158	C	C	.	.	H	α-helix	trans	-115	-10	-164.8	-54	-67.6	0	0	0	113.8	I452 Q458 H459 Y515 Q519 V521 Q553	I452-Y456 HydrophobicContact CG2-CD2 4Å; I452-Y456 WeakPolarHBondContact O-CB 3.11Å; I452-Y456 VanDerWaalsContact O-CD2 3.28Å; I452-Y456 WeakPolarHBondContact O-CD2 3.23Å; I452-Y456 PolarHBondContact O-N 2.61Å; Y456-Q458 PolarHBondContact O-N 2.8Å; Y456-H459 WeakPolarHBondContact O-CB 3.32Å; Y456-H459 PolarHBondContact O-N 3.3Å; Y456-Y515 HydrophobicContact CD1-CE1 4.16Å; Y456-Q519 HydrophobicContact CD1-CB 4.36Å; Y456-Q519 HydrophobicContact CD1-CG 4.22Å; Y456-Q519 HydrophobicContact CE1-CB 3.58Å; Y456-Q519 HydrophobicContact CE1-CG 3.67Å; Y456-V521 HydrophobicContact CD2-CG2 3.87Å; Y456-V521 HydrophobicContact CE2-CG2 3.37Å; Y456-Q553 PolarHBondContact OH-OE1 2.96Å; Y456-Q553 VanDerWaalsContact OH-OE1 3.05Å
457	G	80.3	Confident	82.7	Confident	4 Å²	4	31 Å²	31	4%	0.041	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-3.7	-179.5	0	0	0	0	0	115.6	L453 H459	L453-G457 VanDerWaalsContact O-CA 3.23Å; L453-G457 WeakPolarHBondContact O-CA 3.4Å; L453-G457 PolarHBondContact O-N 3.32Å; G457-H459 VanDerWaalsContact C-N 3.31Å
458	Q	78.1	Confident	83.3	Confident	115 Å²	115	28 Å²	28	54%	0.537	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-16.5	170.6	-63.1	-178.2	5.3	0	0	112.8	Y456	Y456-Q458 PolarHBondContact O-N 2.8Å
459	H	87.6	Confident	84.2	Confident	29 Å²	29	24.9 Å²	24.9	13%	0.134	13%	0.125	C	C	.	.	S	Bend	trans	-62.4	132	174.9	-175.8	-85.4	0	0	0	109	Y456 G457 N461 I462 Y515	Y456-H459 WeakPolarHBondContact O-CB 3.32Å; Y456-H459 PolarHBondContact O-N 3.3Å; G457-H459 VanDerWaalsContact C-N 3.31Å; H459-N461 PolarHBondContact ND1-N 3.02Å; H459-N461 VanDerWaalsContact ND1-N 3.12Å; H459-N461 PolarHBondContact O-N 3.2Å; H459-I462 HydrophobicContact CB-CB 4.26Å; H459-I462 HydrophobicContact CB-CD1 3.86Å; H459-I462 HydrophobicContact CB-CG1 3.99Å; H459-I462 PolarHBondContact O-N 3.26Å; H459-Y515 HydrophobicContact CB-CD1 4.2Å; H459-Y515 HydrophobicContact CB-CE1 3.83Å; H459-Y515 AromaticContact CD2-CD1 3.68Å; H459-Y515 AromaticContact CD2-CE1 3.97Å; H459-Y515 AromaticContact CD2-CG 3.79Å; H459-Y515 AromaticContact CG-CD1 3.96Å
460	P	90.1	Very high	84.2	Confident	82 Å²	82	28.4 Å²	28.4	53%	0.532	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.2	-171.5	22.8	-35	0	0	0	112.8	R544	P460-R544 WeakPolarHBondContact O-CD 3.38Å; P460-R544 PolarHBondContact O-NE 2.94Å; P460-R544 PolarHBondContact O-NH1 3.41Å; P460-R544 PolarHBondContact O-NH2 3.47Å; P460-R544 VanDerWaalsContact O-NH2 3.12Å
461	N	94.2	Very high	84.5	Confident	16 Å²	16	29.3 Å²	29.3	9%	0.086	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	14.8	-180	-58.1	106.3	0	0	0	114.6	H459 T508 T512 D541 I543 R544 I545	H459-N461 PolarHBondContact ND1-N 3.02Å; H459-N461 VanDerWaalsContact ND1-N 3.12Å; H459-N461 PolarHBondContact O-N 3.2Å; N461-T508 WeakPolarHBondContact ND2-CG2 3.35Å; N461-T512 HydrophobicContact CB-CG2 3.99Å; N461-T512 WeakPolarHBondContact CB-OG1 3.39Å; N461-D541 PolarHBondContact ND2-O 3.35Å; N461-I543 WeakPolarHBondContact CA-O 3.28Å; N461-I543 PolarHBondContact ND2-O 3.49Å; N461-R544 CarbonylContact O-C 3.5Å; N461-R544 WeakPolarHBondContact O-CA 3.37Å; N461-I545 PolarHBondContact O-N 2.81Å
462	I	93.8	Very high	84.9	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-111.3	142.7	172.5	-64	-178.9	0	0	0	108	L453 H459 T464 T512 Y515 L516 F548	L453-I462 HydrophobicContact CD2-CG2 4.23Å; H459-I462 HydrophobicContact CB-CB 4.26Å; H459-I462 HydrophobicContact CB-CD1 3.86Å; H459-I462 HydrophobicContact CB-CG1 3.99Å; H459-I462 PolarHBondContact O-N 3.26Å; I462-T464 PolarHBondContact O-N 3.22Å; I462-T512 HydrophobicContact CD1-CG2 4.22Å; I462-T512 HydrophobicContact CG1-CG2 3.66Å; I462-Y515 HydrophobicContact CD1-CD1 4.3Å; I462-Y515 HydrophobicContact CD1-CE1 4.27Å; I462-L516 HydrophobicContact CD1-CD1 4.3Å; I462-L516 HydrophobicContact CD1-CD2 3.68Å; I462-L516 HydrophobicContact CD1-CG 4.05Å; I462-F548 HydrophobicContact CB-CZ 4.48Å; I462-F548 HydrophobicContact CD1-CZ 4.17Å; I462-F548 HydrophobicContact CG1-CZ 4.14Å; I462-F548 HydrophobicContact CG2-CE2 3.63Å; I462-F548 HydrophobicContact CG2-CZ 3.66Å
463	I	92.6	Very high	85.4	Confident	10 Å²	10	42.4 Å²	42.4	5%	0.051	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-59.7	133.4	177.3	-166.7	166.7	0	0	0	111.5	L453 L465 T479 E480 I545 C546 F548	L453-I463 HydrophobicContact CD2-CG2 3.64Å; I463-L465 PolarHBondContact O-N 3.19Å; I463-T479 HydrophobicContact CD1-CG2 4.02Å; I463-T479 WeakPolarHBondContact CD1-OG1 3.13Å; I463-T479 HydrophobicContact CG1-CG2 4.2Å; I463-E480 HydrophobicContact CG1-CG 4.04Å; I463-I545 WeakPolarHBondContact CB-O 3.39Å; I463-I545 PolarHBondContact N-O 3.25Å; I463-C546 HydrophobicContact CB-CB 4.39Å; I463-C546 HydrophobicContact CD1-CB 3.95Å; I463-C546 WeakPolarHBondContact CG2-O 3.24Å; I463-F548 HydrophobicContact CG2-CD2 4.49Å
464	T	88.1	Confident	85.7	Confident	31 Å²	31	46.4 Å²	46.4	19%	0.19	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-84.5	117.9	178.6	-51.2	0	0	0	0	110.8	I462 K466 T479 E480	I462-T464 PolarHBondContact O-N 3.22Å; T464-K466 HydrophobicContact CG2-CD 4.23Å; T464-T479 WeakPolarHBondContact O-CA 3.22Å; T464-T479 WeakPolarHBondContact O-CB 3.48Å; T464-E480 WeakPolarHBondContact CB-OE1 3.44Å; T464-E480 PolarHBondContact N-OE1 3.5Å; T464-E480 PolarHBondContact O-N 3Å; T464-E480 PolarHBondContact OG1-OE1 2.85Å
465	L	88	Confident	86.3	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.016	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	132	165.7	-172.2	65.5	0	0	0	109.5	V395 I450 L453 M454 I463 V468 L477 T479	V395-L465 HydrophobicContact CG1-CB 4.41Å; V395-L465 HydrophobicContact CG1-CD2 3.95Å; V395-L465 HydrophobicContact CG1-CG 3.81Å; V395-L465 WeakPolarHBondContact CG2-O 3.31Å; I450-L465 HydrophobicContact CG2-CD2 4.37Å; L453-L465 HydrophobicContact CB-CB 4.02Å; L453-L465 HydrophobicContact CB-CD2 4.01Å; M454-L465 HydrophobicContact CG-CD2 4Å; I463-L465 PolarHBondContact O-N 3.19Å; L465-V468 HydrophobicContact CD1-CG2 4.07Å; L465-V468 HydrophobicContact CD2-CG2 3.66Å; L465-V468 HydrophobicContact CG-CG2 4.08Å; L465-L477 HydrophobicContact CD1-CB 3.87Å; L465-L477 HydrophobicContact CD1-CD2 4.45Å; L465-T479 HydrophobicContact CD1-CG2 4.03Å
466	K	86.7	Confident	87.1	Confident	62 Å²	62	44.6 Å²	44.6	27%	0.27	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-54.6	-178	-65.9	-63.8	-175.9	-172.8	0	111.4	V395 Q396 Y434 T464 V478	V395-K466 WeakPolarHBondContact CA-O 3.35Å; V395-K466 WeakPolarHBondContact CG1-O 3.39Å; Q396-K466 PolarHBondContact N-O 2.76Å; Y434-K466 HydrophobicContact CD1-CG 4.2Å; Y434-K466 HydrophobicContact CE1-CG 4.03Å; T464-K466 HydrophobicContact CG2-CD 4.23Å; K466-V478 WeakPolarHBondContact CA-O 3.23Å; K466-V478 HydrophobicContact CB-CG1 4.42Å; K466-V478 WeakPolarHBondContact CB-O 3.23Å; K466-V478 PolarHBondContact N-O 3.02Å
467	D	85.6	Confident	87.6	Confident	18 Å²	18	43.7 Å²	43.7	10%	0.096	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	154.6	178.9	-62.8	-54.8	0	0	0	110.9	Q396 Y408 Y469 V478	Q396-D467 VanDerWaalsContact CB-OD1 3.28Å; Q396-D467 WeakPolarHBondContact CB-OD1 3.5Å; Q396-D467 WeakPolarHBondContact CG-OD1 3.29Å; Q396-D467 CarbonylContact O-C 3.58Å; Q396-D467 VanDerWaalsContact O-CA 3.23Å; Q396-D467 WeakPolarHBondContact O-CA 3.28Å; Y408-D467 WeakPolarHBondContact CE2-OD2 3.49Å; Y408-D467 PolarHBondContact OH-OD2 3.23Å; D467-Y469 HydrophobicContact CB-CD2 4.42Å; D467-Y469 HydrophobicContact CB-CE2 3.61Å; D467-V478 HydrophobicContact CB-CB 4.06Å; D467-V478 HydrophobicContact CB-CG2 4.19Å; D467-V478 PolarHBondContact N-O 3.5Å; D467-V478 PolarHBondContact O-N 3.22Å
468	V	86.1	Confident	88.2	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	135.3	171.4	179.3	0	0	0	0	108.8	Q396 V397 H398 I450 L465 V475 Y476 L477	Q396-V468 PolarHBondContact O-N 3.15Å; V397-V468 CarbonylContact C-O 3.5Å; V397-V468 VanDerWaalsContact CA-O 3.29Å; V397-V468 WeakPolarHBondContact CA-O 3.49Å; V397-V468 HydrophobicContact CB-CB 4.15Å; V397-V468 HydrophobicContact CG1-CB 3.88Å; V397-V468 HydrophobicContact CG1-CG1 3.95Å; V397-V468 HydrophobicContact CG2-CB 3.92Å; V397-V468 HydrophobicContact CG2-CG2 4.18Å; H398-V468 PolarHBondContact N-O 3.45Å; I450-V468 HydrophobicContact CD1-CG1 4.1Å; I450-V468 HydrophobicContact CG2-CG2 4.17Å; L465-V468 HydrophobicContact CD1-CG2 4.07Å; L465-V468 HydrophobicContact CD2-CG2 3.66Å; L465-V468 HydrophobicContact CG-CG2 4.08Å; V468-V475 HydrophobicContact CG1-CG1 3.94Å; V468-Y476 CarbonylContact C-O 3.46Å; V468-Y476 VanDerWaalsContact CA-O 3.28Å; V468-Y476 WeakPolarHBondContact CA-O 3.49Å; V468-L477 HydrophobicContact CB-CD2 4.36Å; V468-L477 HydrophobicContact CG1-CD2 3.84Å; V468-L477 HydrophobicContact CG2-CD2 3.84Å
469	Y	87.3	Confident	88.9	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	120.5	172	-58.2	-99.6	0	0	0	108.7	H398 F404 L407 Y408 D467 V475 Y476 V478	H398-Y469 HydrophobicContact CB-CD1 3.6Å; H398-Y469 HydrophobicContact CB-CE1 3.83Å; H398-Y469 HydrophobicContact CB-CG 4.4Å; H398-Y469 AromaticContact CE1-CE1 3.95Å; H398-Y469 AromaticContact CE1-CZ 3.88Å; H398-Y469 AromaticContact CG-CD1 3.88Å; H398-Y469 AromaticContact CG-CE1 3.57Å; H398-Y469 AromaticContact ND1-CD1 3.86Å; H398-Y469 AromaticContact ND1-CE1 3.35Å; H398-Y469 VanDerWaalsContact ND1-CE1 3.35Å; H398-Y469 WeakPolarHBondContact ND1-CE1 3.46Å; H398-Y469 AromaticContact ND1-CZ 3.52Å; F404-Y469 HydrophobicContact CB-CD1 4.1Å; F404-Y469 HydrophobicContact CB-CD2 4.09Å; F404-Y469 HydrophobicContact CB-CG 3.82Å; F404-Y469 AromaticContact CD2-CD2 3.76Å; F404-Y469 HydrophobicContact CD2-CD2 3.76Å; F404-Y469 HydrophobicContact CD2-CE2 4.01Å; F404-Y469 HydrophobicContact CD2-CG 4.36Å; F404-Y469 HydrophobicContact CG-CD2 4.44Å; L407-Y469 WeakPolarHBondContact CD1-OH 3.41Å; Y408-Y469 HydrophobicContact CD2-CE2 4.08Å; Y408-Y469 HydrophobicContact CE2-CE2 4.04Å; Y408-Y469 WeakPolarHBondContact CE2-OH 3.29Å; D467-Y469 HydrophobicContact CB-CD2 4.42Å; D467-Y469 HydrophobicContact CB-CE2 3.61Å; Y469-V475 CarbonylContact O-C 3.59Å; Y469-V475 WeakPolarHBondContact O-CA 3.36Å; Y469-Y476 PolarHBondContact N-O 3.44Å; Y469-Y476 PolarHBondContact O-N 3.46Å; Y469-V478 HydrophobicContact CD2-CG2 4.25Å; Y469-V478 HydrophobicContact CE2-CG2 3.98Å
470	D	83.5	Confident	89.1	Confident	79 Å²	79	38.6 Å²	38.6	42%	0.422	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	103.7	175	-173	-2.5	0	0	0	109	H398 K441 V475	H398-D470 PolarHBondContact O-N 3.03Å; K441-D470 WeakPolarHBondContact CE-OD1 3.45Å; K441-D470 IonicContact NZ-OD1 3.39Å; K441-D470 PolarHBondContact NZ-OD1 3.34Å; D470-V475 HydrophobicContact CB-CG2 4.49Å
471	E	84.9	Confident	89.2	Confident	44 Å²	44	36.2 Å²	36.2	21%	0.206	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	114.5	-174.1	-62.2	-172.9	171.7	0	0	111.1	K403 F404 R473 Y474 Y476	K403-E471 WeakPolarHBondContact CA-OE1 3.26Å; K403-E471 VanDerWaalsContact CB-OE1 3.32Å; K403-E471 WeakPolarHBondContact CB-OE1 3.21Å; F404-E471 PolarHBondContact N-OE1 3.46Å; E471-R473 CarbonylContact O-C 3.56Å; E471-R473 PolarHBondContact O-N 3.15Å; E471-Y474 CarbonylContact C-O 3.51Å; E471-Y474 PolarHBondContact N-O 3.48Å; E471-Y474 PolarHBondContact O-N 3.07Å; E471-Y476 HydrophobicContact CB-CE2 4.14Å; E471-Y476 HydrophobicContact CG-CD2 4.41Å; E471-Y476 HydrophobicContact CG-CE2 4.13Å; E471-Y476 WeakPolarHBondContact OE2-CE2 3.45Å
472	D	82.5	Confident	89.1	Confident	165 Å²	165	36.6 Å²	36.6	88%	0.882	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.6	-90.3	171	-64.8	-31.1	0	0	0	115	K441	K441-D472 WeakPolarHBondContact CE-O 3.37Å; K441-D472 PolarHBondContact NZ-O 2.69Å
473	R	85.4	Confident	88.9	Confident	128 Å²	128	42.6 Å²	42.6	48%	0.483	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-21.9	179.5	-179.1	173	178.1	-178.9	-1.4	114.1	D440 K441 E471	D440-R473 VanDerWaalsContact OD1-CG 3.29Å; D440-R473 WeakPolarHBondContact OD1-CG 3.44Å; D440-R473 IonicContact OD1-CZ 2.88Å; D440-R473 IonicContact OD1-NE 2.63Å; D440-R473 PolarHBondContact OD1-NE 2.9Å; D440-R473 IonicContact OD1-NH2 3.44Å; D440-R473 IonicContact OD2-CZ 3.27Å; D440-R473 IonicContact OD2-NE 3.06Å; D440-R473 PolarHBondContact OD2-NE 3.31Å; D440-R473 IonicContact OD2-NH2 2.77Å; D440-R473 PolarHBondContact OD2-NH2 2.82Å; K441-R473 WeakPolarHBondContact CB-O 3.42Å; K441-R473 VanDerWaalsContact CE-C 3.48Å; K441-R473 PolarHBondContact N-O 3.24Å; E471-R473 CarbonylContact O-C 3.56Å; E471-R473 PolarHBondContact O-N 3.15Å
474	Y	89.3	Confident	88.6	Confident	90 Å²	90	42.5 Å²	42.5	35%	0.353	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	148.2	-171.4	-63.3	-75.1	0	0	0	112.3	I438 I439 D440 E471	I438-Y474 HydrophobicContact CG2-CD1 3.93Å; I438-Y474 HydrophobicContact CG2-CG 4.26Å; I439-Y474 CarbonylContact O-C 3.56Å; I439-Y474 VanDerWaalsContact O-CA 3.27Å; I439-Y474 WeakPolarHBondContact O-CA 3.47Å; D440-Y474 HydrophobicContact CB-CD1 4.25Å; D440-Y474 HydrophobicContact CB-CE1 3.96Å; E471-Y474 CarbonylContact C-O 3.51Å; E471-Y474 PolarHBondContact N-O 3.48Å; E471-Y474 PolarHBondContact O-N 3.07Å
475	V	89.8	Confident	88.5	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131.7	165.8	178.7	0	0	0	0	108.6	I438 I439 K441 P446 I450 V468 Y469 D470 L477	I438-V475 WeakPolarHBondContact CA-O 3.46Å; I439-V475 PolarHBondContact N-O 2.87Å; I439-V475 PolarHBondContact O-N 2.85Å; K441-V475 HydrophobicContact CD-CG2 3.64Å; K441-V475 HydrophobicContact CG-CG2 3.68Å; P446-V475 HydrophobicContact CG-CB 3.85Å; P446-V475 HydrophobicContact CG-CG1 4.05Å; P446-V475 HydrophobicContact CG-CG2 3.73Å; I450-V475 HydrophobicContact CD1-CG1 4.05Å; V468-V475 HydrophobicContact CG1-CG1 3.94Å; Y469-V475 CarbonylContact O-C 3.59Å; Y469-V475 WeakPolarHBondContact O-CA 3.36Å; D470-V475 HydrophobicContact CB-CG2 4.49Å; V475-L477 HydrophobicContact CG1-CD2 3.79Å
476	Y	92.9	Very high	88.5	Confident	34 Å²	34	44.7 Å²	44.7	13%	0.133	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	115.7	178.9	-57.3	-102.2	0	0	0	108.9	F404 V436 I438 V468 Y469 E471	F404-Y476 HydrophobicContact CB-CD1 4.36Å; F404-Y476 HydrophobicContact CB-CD2 4.21Å; F404-Y476 HydrophobicContact CB-CE2 4.47Å; F404-Y476 HydrophobicContact CB-CG 4.15Å; F404-Y476 HydrophobicContact CD1-CD1 4.15Å; F404-Y476 HydrophobicContact CD1-CE1 4.23Å; F404-Y476 HydrophobicContact CD2-CD1 4.03Å; F404-Y476 HydrophobicContact CD2-CG 4.07Å; F404-Y476 HydrophobicContact CE2-CD1 4.41Å; F404-Y476 AromaticContact CG-CD1 3.88Å; F404-Y476 HydrophobicContact CG-CD1 3.88Å; F404-Y476 HydrophobicContact CG-CE1 4.3Å; F404-Y476 HydrophobicContact CG-CG 4.04Å; V436-Y476 HydrophobicContact CG2-CD1 4.04Å; V436-Y476 HydrophobicContact CG2-CG 4.45Å; I438-Y476 HydrophobicContact CB-CD1 4.43Å; I438-Y476 HydrophobicContact CD1-CD1 4.17Å; I438-Y476 HydrophobicContact CD1-CE1 3.92Å; I438-Y476 HydrophobicContact CG1-CD1 3.76Å; I438-Y476 HydrophobicContact CG1-CE1 3.95Å; I438-Y476 HydrophobicContact CG2-CD1 4.15Å; I438-Y476 HydrophobicContact CG2-CE1 3.87Å; V468-Y476 CarbonylContact C-O 3.46Å; V468-Y476 VanDerWaalsContact CA-O 3.28Å; V468-Y476 WeakPolarHBondContact CA-O 3.49Å; Y469-Y476 PolarHBondContact N-O 3.44Å; Y469-Y476 PolarHBondContact O-N 3.46Å; E471-Y476 HydrophobicContact CB-CE2 4.14Å; E471-Y476 HydrophobicContact CG-CD2 4.41Å; E471-Y476 HydrophobicContact CG-CE2 4.13Å; E471-Y476 WeakPolarHBondContact OE2-CE2 3.45Å
477	L	92.8	Very high	88.5	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	105.2	173.8	-51.6	-174.7	0	0	0	108.6	V436 K437 I439 E449 I450 L465 V468 V475	V436-L477 CarbonylContact C-O 3.55Å; V436-L477 VanDerWaalsContact CA-O 3.3Å; V436-L477 WeakPolarHBondContact CA-O 3.49Å; K437-L477 HydrophobicContact CB-CB 4.25Å; K437-L477 PolarHBondContact N-O 2.99Å; K437-L477 PolarHBondContact O-N 3.35Å; I439-L477 HydrophobicContact CD1-CD1 3.67Å; I439-L477 HydrophobicContact CD1-CG 4.15Å; E449-L477 HydrophobicContact CG-CD1 4.25Å; I450-L477 HydrophobicContact CD1-CD2 3.85Å; I450-L477 HydrophobicContact CG1-CD1 4.23Å; I450-L477 HydrophobicContact CG1-CD2 3.43Å; I450-L477 VanDerWaalsContact CG1-CD2 3.43Å; I450-L477 HydrophobicContact CG1-CG 4.48Å; L465-L477 HydrophobicContact CD1-CB 3.87Å; L465-L477 HydrophobicContact CD1-CD2 4.45Å; V468-L477 HydrophobicContact CB-CD2 4.36Å; V468-L477 HydrophobicContact CG1-CD2 3.84Å; V468-L477 HydrophobicContact CG2-CD2 3.84Å; V475-L477 HydrophobicContact CG1-CD2 3.79Å
478	V	92.9	Very high	88.4	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	121.3	177.3	-174.3	0	0	0	0	108.8	F404 Y408 Y434 A435 V436 K466 D467 Y469	F404-V478 HydrophobicContact CD2-CG2 4.17Å; F404-V478 HydrophobicContact CE2-CG2 3.82Å; Y408-V478 HydrophobicContact CD1-CG1 4.45Å; Y408-V478 HydrophobicContact CD2-CG2 4.49Å; Y408-V478 HydrophobicContact CE1-CG1 3.79Å; Y408-V478 HydrophobicContact CE2-CG2 4.32Å; Y434-V478 HydrophobicContact CD1-CG1 4.29Å; Y434-V478 HydrophobicContact CG-CG1 4.09Å; A435-V478 CarbonylContact O-C 3.54Å; A435-V478 WeakPolarHBondContact O-CA 3.38Å; V436-V478 HydrophobicContact CB-CG2 4.47Å; V436-V478 HydrophobicContact CG2-CG2 4.16Å; K466-V478 WeakPolarHBondContact CA-O 3.23Å; K466-V478 HydrophobicContact CB-CG1 4.42Å; K466-V478 WeakPolarHBondContact CB-O 3.23Å; K466-V478 PolarHBondContact N-O 3.02Å; D467-V478 HydrophobicContact CB-CB 4.06Å; D467-V478 HydrophobicContact CB-CG2 4.19Å; D467-V478 PolarHBondContact N-O 3.5Å; D467-V478 PolarHBondContact O-N 3.22Å; Y469-V478 HydrophobicContact CD2-CG2 4.25Å; Y469-V478 HydrophobicContact CE2-CG2 3.98Å
479	T	93.3	Very high	88.2	Confident	14 Å²	14	42.7 Å²	42.7	9%	0.086	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	169.1	179.1	64.1	0	0	0	0	110.7	Y434 A435 I463 T464 L465	Y434-T479 WeakPolarHBondContact CB-O 3.39Å; A435-T479 PolarHBondContact N-O 3.43Å; A435-T479 PolarHBondContact O-N 3.33Å; I463-T479 HydrophobicContact CD1-CG2 4.02Å; I463-T479 WeakPolarHBondContact CD1-OG1 3.13Å; I463-T479 HydrophobicContact CG1-CG2 4.2Å; T464-T479 WeakPolarHBondContact O-CA 3.22Å; T464-T479 WeakPolarHBondContact O-CB 3.48Å; L465-T479 HydrophobicContact CD1-CG2 4.03Å
480	E	90.7	Very high	88	Confident	27 Å²	27	45.2 Å²	45.2	13%	0.126	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	144.4	165.3	45.5	179.9	171.7	0	0	112.2	I463 T464 M482 M534	I463-E480 HydrophobicContact CG1-CG 4.04Å; T464-E480 WeakPolarHBondContact CB-OE1 3.44Å; T464-E480 PolarHBondContact N-OE1 3.5Å; T464-E480 PolarHBondContact O-N 3Å; T464-E480 PolarHBondContact OG1-OE1 2.85Å; E480-M482 HydrophobicContact CB-CE 3.9Å; E480-M482 HydrophobicContact CG-CE 3.44Å; E480-M482 VanDerWaalsContact CG-CE 3.44Å; E480-M534 WeakPolarHBondContact OE2-CE 3.17Å
481	L	92	Very high	87.9	Confident	32 Å²	32	41.4 Å²	41.4	17%	0.168	20%	0.199	C	C	.	.			trans	-83.2	121.3	176.9	-178.8	65.1	0	0	0	110.3	I414 R424 D433 A435 K483	I414-L481 HydrophobicContact CD1-CD1 4Å; R424-L481 HydrophobicContact CG-CD2 4.17Å; D433-L481 HydrophobicContact CB-CD2 3.8Å; A435-L481 HydrophobicContact CB-CD1 4.12Å; L481-K483 HydrophobicContact CD2-CG 4.21Å; L481-K483 HydrophobicContact CG-CG 4.21Å; L481-K483 PolarHBondContact O-N 2.82Å
482	M	92.5	Very high	87.5	Confident	25 Å²	25	40.1 Å²	40.1	12%	0.123	19%	0.193	C	C	.	.			trans	-81.3	97	175.9	-59.2	-62.2	92.4	0	0	110.4	E480 L532 M534 R544	E480-M482 HydrophobicContact CB-CE 3.9Å; E480-M482 HydrophobicContact CG-CE 3.44Å; E480-M482 VanDerWaalsContact CG-CE 3.44Å; M482-L532 HydrophobicContact CB-CB 3.81Å; M482-L532 HydrophobicContact CB-CD2 4.09Å; M482-L532 HydrophobicContact CB-CG 4.49Å; M482-L532 HydrophobicContact CG-CB 3.91Å; M482-M534 HydrophobicContact CE-CB 4.39Å; M482-M534 HydrophobicContact CE-CG 4.46Å; M482-M534 HydrophobicContact SD-CB 4.35Å; M482-R544 HydrophobicContact CE-CG 4.35Å; M482-R544 HydrophobicContact SD-CB 3.7Å; M482-R544 HydrophobicContact SD-CG 3.59Å; M482-R544 VanDerWaalsContact SD-CG 3.59Å
483	K	89.8	Confident	87.3	Confident	127 Å²	127	41.7 Å²	41.7	55%	0.552	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-24.2	-174.9	-65.1	-176.5	178	-174.8	0	113.3	L481 G485 M534	L481-K483 HydrophobicContact CD2-CG 4.21Å; L481-K483 HydrophobicContact CG-CG 4.21Å; L481-K483 PolarHBondContact O-N 2.82Å; K483-G485 VanDerWaalsContact C-N 3.29Å; K483-G485 PolarHBondContact O-N 3.3Å; K483-M534 PolarHBondContact N-O 3.23Å
484	G	85.8	Confident	86.8	Confident	8 Å²	8	38.2 Å²	38.2	8%	0.082	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-1.1	-174.3	0	0	0	0	0	116.1	Y533 D535	G484-Y533 VanDerWaalsContact CA-O 3.3Å; G484-Y533 WeakPolarHBondContact CA-O 3.35Å; G484-Y533 PolarHBondContact N-O 3.42Å; G484-D535 VanDerWaalsContact CA-O 3.24Å; G484-D535 WeakPolarHBondContact CA-O 3.41Å
485	G	87.3	Confident	85.8	Confident	31 Å²	31	42.8 Å²	42.8	32%	0.32	20%	0.198	S	C	.	.			trans	73.9	-175.6	176.7	0	0	0	0	0	115.1	K483 L532 Y533	K483-G485 VanDerWaalsContact C-N 3.29Å; K483-G485 PolarHBondContact O-N 3.3Å; G485-L532 CarbonylContact O-C 3.54Å; G485-L532 VanDerWaalsContact O-CA 3.31Å; G485-L532 WeakPolarHBondContact O-CA 3.5Å; G485-Y533 PolarHBondContact O-N 3.11Å
486	E	88.3	Confident	85	Confident	48 Å²	48	48.6 Å²	48.6	22%	0.224	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-68.8	140.5	-179.6	-66.4	178.2	-138.6	0	0	112.1	L488 D489 R490 L532 K686	E486-L488 PolarHBondContact O-N 2.84Å; E486-D489 HydrophobicContact CB-CB 4.31Å; E486-D489 PolarHBondContact O-N 3.19Å; E486-R490 PolarHBondContact O-N 3.3Å; E486-L532 HydrophobicContact CG-CD2 4.33Å; E486-K686 IonicContact OE1-NZ 3.36Å; E486-K686 PolarHBondContact OE1-NZ 3.14Å; E486-K686 WeakPolarHBondContact OE2-CE 3.3Å; E486-K686 IonicContact OE2-NZ 2.77Å; E486-K686 PolarHBondContact OE2-NZ 3.29Å
487	L	86.7	Confident	84.6	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-51.4	-52.7	-178.9	176.7	67.7	0	0	0	112.4	R490 I491 V505 I509 I531 Y533 I543 L593	L487-R490 PolarHBondContact O-N 3.22Å; L487-I491 HydrophobicContact CD1-CD1 3.63Å; L487-I491 HydrophobicContact CD1-CG1 4.31Å; L487-I491 HydrophobicContact CD2-CD1 4.46Å; L487-I491 HydrophobicContact CG-CD1 3.76Å; L487-I491 WeakPolarHBondContact O-CG1 3.47Å; L487-I491 PolarHBondContact O-N 3.48Å; L487-V505 HydrophobicContact CD1-CG1 3.86Å; L487-V505 HydrophobicContact CD2-CG1 3.93Å; L487-V505 HydrophobicContact CG-CG1 4.43Å; L487-I509 HydrophobicContact CD2-CD1 3.64Å; L487-I531 HydrophobicContact CB-CB 4.31Å; L487-I531 HydrophobicContact CB-CG2 4.11Å; L487-I531 VanDerWaalsContact CB-O 3.31Å; L487-I531 WeakPolarHBondContact CB-O 3.49Å; L487-I531 HydrophobicContact CD2-CB 4.38Å; L487-I531 HydrophobicContact CD2-CG2 3.87Å; L487-I531 PolarHBondContact N-O 2.76Å; L487-Y533 HydrophobicContact CB-CE2 4.49Å; L487-Y533 HydrophobicContact CD1-CE2 3.53Å; L487-Y533 WeakPolarHBondContact CD1-OH 3.49Å; L487-I543 HydrophobicContact CD1-CD1 3.84Å; L487-I543 HydrophobicContact CD1-CG1 4.32Å; L487-L593 HydrophobicContact CD2-CD1 4.19Å; L487-L593 HydrophobicContact CD2-CD2 3.96Å
488	L	82.6	Confident	84.4	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-72.1	-35.9	-171.7	-172.2	67.8	0	0	0	112.2	E486 R490 I491 L492 P528 T596 M689	E486-L488 PolarHBondContact O-N 2.84Å; L488-R490 PolarHBondContact O-N 3.44Å; L488-I491 PolarHBondContact O-N 3.36Å; L488-L492 HydrophobicContact CD1-CD1 4.13Å; L488-L492 HydrophobicContact CD1-CG 4.07Å; L488-L492 HydrophobicContact CD2-CD1 4.11Å; L488-L492 HydrophobicContact CG-CD1 3.64Å; L488-L492 HydrophobicContact CG-CG 4.04Å; L488-L492 VanDerWaalsContact O-CB 3.27Å; L488-L492 WeakPolarHBondContact O-CB 3.28Å; L488-L492 VanDerWaalsContact O-CG 3.24Å; L488-L492 WeakPolarHBondContact O-CG 3.35Å; L488-L492 PolarHBondContact O-N 3.22Å; L488-P528 HydrophobicContact CB-CB 3.76Å; L488-P528 HydrophobicContact CB-CG 4.5Å; L488-P528 HydrophobicContact CD2-CB 4.19Å; L488-P528 HydrophobicContact CD2-CG 4.13Å; L488-T596 HydrophobicContact CD1-CG2 3.98Å; L488-T596 HydrophobicContact CD2-CG2 4.21Å; L488-M689 HydrophobicContact CD2-SD 3.43Å; L488-M689 WeakPolarHBondContact CD2-SD 3.22Å
489	D	82.7	Confident	84.3	Confident	37 Å²	37	47.6 Å²	47.6	20%	0.198	22%	0.22	C	C	.	.	H	α-helix	trans	-61.1	-37.9	176.1	-77.9	-24.9	0	0	0	110.9	E486 R493 K686	E486-D489 HydrophobicContact CB-CB 4.31Å; E486-D489 PolarHBondContact O-N 3.19Å; D489-R493 WeakPolarHBondContact O-CB 3.39Å; D489-R493 WeakPolarHBondContact O-CD 3.33Å; D489-R493 WeakPolarHBondContact O-CG 3.41Å; D489-R493 PolarHBondContact O-N 2.93Å; D489-K686 IonicContact OD1-NZ 2.6Å; D489-K686 IonicContact OD2-NZ 3.79Å; D489-K686 PolarHBondContact OD2-NZ 3.31Å
490	R	81.4	Confident	84.2	Confident	53 Å²	53	50.7 Å²	50.7	20%	0.2	23%	0.23	C	C	.	.	H	α-helix	trans	-70.8	-48	177.4	-164.9	172.2	-170.6	156.8	6.2	112.2	E486 L487 L488 L492 R493 Q494 Y533 D535 D536 G538	E486-R490 PolarHBondContact O-N 3.3Å; L487-R490 PolarHBondContact O-N 3.22Å; L488-R490 PolarHBondContact O-N 3.44Å; R490-L492 VanDerWaalsContact C-N 3.32Å; R490-L492 PolarHBondContact O-N 3.05Å; R490-R493 PolarHBondContact O-N 3.13Å; R490-Q494 WeakPolarHBondContact O-CG 3.42Å; R490-Q494 PolarHBondContact O-N 2.86Å; R490-Q494 VanDerWaalsContact O-N 3.16Å; R490-Y533 HydrophobicContact CB-CD2 4.37Å; R490-Y533 HydrophobicContact CB-CE2 4.06Å; R490-Y533 HydrophobicContact CG-CE2 4.31Å; R490-D535 PolarHBondContact NH1-O 3.11Å; R490-D536 PolarHBondContact NH2-O 3.03Å; R490-G538 VanDerWaalsContact NH1-N 3.16Å
491	I	81.6	Confident	84.1	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.4	-40.2	178.4	-71	176.5	0	0	0	111.2	L487 L488 Q494 F497 V505 M597 R678	L487-I491 HydrophobicContact CD1-CD1 3.63Å; L487-I491 HydrophobicContact CD1-CG1 4.31Å; L487-I491 HydrophobicContact CD2-CD1 4.46Å; L487-I491 HydrophobicContact CG-CD1 3.76Å; L487-I491 WeakPolarHBondContact O-CG1 3.47Å; L487-I491 PolarHBondContact O-N 3.48Å; L488-I491 PolarHBondContact O-N 3.36Å; I491-Q494 PolarHBondContact O-N 3.29Å; I491-F497 HydrophobicContact CB-CE2 4.45Å; I491-F497 HydrophobicContact CD1-CE2 4.13Å; I491-F497 HydrophobicContact CD1-CZ 3.92Å; I491-F497 HydrophobicContact CG1-CE2 3.9Å; I491-F497 HydrophobicContact CG1-CZ 4.14Å; I491-F497 HydrophobicContact CG2-CD1 4.12Å; I491-F497 HydrophobicContact CG2-CD2 4.08Å; I491-F497 HydrophobicContact CG2-CE1 3.9Å; I491-F497 HydrophobicContact CG2-CE2 3.89Å; I491-F497 HydrophobicContact CG2-CG 4.16Å; I491-F497 HydrophobicContact CG2-CZ 3.77Å; I491-V505 HydrophobicContact CD1-CG1 4.31Å; I491-V505 HydrophobicContact CD1-CG2 4.36Å; I491-M597 HydrophobicContact CD1-CG 4.06Å; I491-M597 HydrophobicContact CD1-SD 3.59Å; I491-M597 VanDerWaalsContact CD1-SD 3.59Å; I491-M597 HydrophobicContact CG2-CG 4.45Å; I491-R678 PolarHBondContact O-NE 2.84Å
492	L	77.5	Confident	84.1	Confident	16 Å²	16	51.6 Å²	51.6	8%	0.084	23%	0.234	C	C	.	.	H	α-helix	trans	-72.6	-25.8	178.9	-71.3	170.8	0	0	0	113.4	L488 R490 R678 P682 V685	L488-L492 HydrophobicContact CD1-CD1 4.13Å; L488-L492 HydrophobicContact CD1-CG 4.07Å; L488-L492 HydrophobicContact CD2-CD1 4.11Å; L488-L492 HydrophobicContact CG-CD1 3.64Å; L488-L492 HydrophobicContact CG-CG 4.04Å; L488-L492 VanDerWaalsContact O-CB 3.27Å; L488-L492 WeakPolarHBondContact O-CB 3.28Å; L488-L492 VanDerWaalsContact O-CG 3.24Å; L488-L492 WeakPolarHBondContact O-CG 3.35Å; L488-L492 PolarHBondContact O-N 3.22Å; R490-L492 VanDerWaalsContact C-N 3.32Å; R490-L492 PolarHBondContact O-N 3.05Å; L492-R678 VanDerWaalsContact CD2-NH1 3.26Å; L492-P682 HydrophobicContact CB-CB 3.99Å; L492-P682 HydrophobicContact CB-CG 4.24Å; L492-P682 HydrophobicContact CD1-CB 4.02Å; L492-V685 HydrophobicContact CD1-CB 4.16Å; L492-V685 HydrophobicContact CD1-CG1 4.19Å
493	R	78.5	Confident	84.2	Confident	198 Å²	198	50.4 Å²	50.4	75%	0.747	23%	0.228	S	C	*	.	H	α-helix	trans	-83.3	-18.1	176.2	-74.6	173.3	-173.1	-136.1	4.5	113.5	D489 R490 K495	D489-R493 WeakPolarHBondContact O-CB 3.39Å; D489-R493 WeakPolarHBondContact O-CD 3.33Å; D489-R493 WeakPolarHBondContact O-CG 3.41Å; D489-R493 PolarHBondContact O-N 2.93Å; R490-R493 PolarHBondContact O-N 3.13Å; R493-K495 PolarHBondContact O-N 3.43Å
494	Q	75.4	Confident	84.3	Confident	56 Å²	56	45.4 Å²	45.4	26%	0.262	21%	0.21	S	C	.	.			trans	-66.9	125.3	176.1	-77.2	172.2	-6.9	0	0	109.9	R490 I491 F496 F497	R490-Q494 WeakPolarHBondContact O-CG 3.42Å; R490-Q494 PolarHBondContact O-N 2.86Å; R490-Q494 VanDerWaalsContact O-N 3.16Å; I491-Q494 PolarHBondContact O-N 3.29Å; Q494-F496 PolarHBondContact O-N 3.19Å; Q494-F497 VanDerWaalsContact OE1-CD2 3.24Å
495	K	67.6	Low	84.7	Confident	186 Å²	186	45.1 Å²	45.1	81%	0.809	21%	0.207	S	C	*	.	S	Bend	trans	-64.4	-26.4	175	-71.7	-170.9	176.1	-174.8	0	112.6	R493	R493-K495 PolarHBondContact O-N 3.43Å
496	F	72.6	Confident	85.1	Confident	124 Å²	124	43.7 Å²	43.7	54%	0.544	19%	0.192	S	C	.	.			trans	-131.8	121.4	-177.8	-52.4	-63	0	0	0	108.1	Q494 Q675	Q494-F496 PolarHBondContact O-N 3.19Å; F496-Q675 HydrophobicContact CD1-CG 3.97Å; F496-Q675 VanDerWaalsContact CD1-OE1 3.25Å; F496-Q675 VanDerWaalsContact CE1-OE1 3.26Å
497	F	84	Confident	85.4	Confident	5 Å²	5	45 Å²	45	2%	0.022	20%	0.195	C	C	.	.			trans	-144.5	131.8	173.4	-169.9	-103	0	0	0	108.2	I491 Q494 E501 A502 M597 L676 R678	I491-F497 HydrophobicContact CB-CE2 4.45Å; I491-F497 HydrophobicContact CD1-CE2 4.13Å; I491-F497 HydrophobicContact CD1-CZ 3.92Å; I491-F497 HydrophobicContact CG1-CE2 3.9Å; I491-F497 HydrophobicContact CG1-CZ 4.14Å; I491-F497 HydrophobicContact CG2-CD1 4.12Å; I491-F497 HydrophobicContact CG2-CD2 4.08Å; I491-F497 HydrophobicContact CG2-CE1 3.9Å; I491-F497 HydrophobicContact CG2-CE2 3.89Å; I491-F497 HydrophobicContact CG2-CG 4.16Å; I491-F497 HydrophobicContact CG2-CZ 3.77Å; Q494-F497 VanDerWaalsContact OE1-CD2 3.24Å; F497-E501 WeakPolarHBondContact CA-OE2 3.49Å; F497-E501 HydrophobicContact CD2-CB 3.86Å; F497-E501 HydrophobicContact CE2-CB 3.64Å; F497-E501 HydrophobicContact CZ-CB 4.16Å; F497-A502 HydrophobicContact CE1-CB 3.61Å; F497-A502 HydrophobicContact CZ-CB 4.01Å; F497-M597 HydrophobicContact CE1-CB 4.04Å; F497-M597 HydrophobicContact CZ-SD 4.25Å; F497-L676 HydrophobicContact CD1-CD1 4.13Å; F497-L676 WeakPolarHBondContact O-CB 3.23Å; F497-L676 WeakPolarHBondContact O-CG 3.38Å; F497-L676 PolarHBondContact O-N 3.45Å; F497-L676 VanDerWaalsContact O-N 3.07Å; F497-R678 VanDerWaalsContact CG-NH2 3.28Å
498	S	89.4	Confident	85.8	Confident	7 Å²	7	45.4 Å²	45.4	5%	0.049	20%	0.198	C	C	.	.			trans	-116.6	165.8	-172.3	60.6	0	0	0	0	112	R500 E501 A502	S498-R500 PolarHBondContact O-N 3.14Å; S498-E501 WeakPolarHBondContact CB-OE2 3.45Å; S498-E501 PolarHBondContact N-OE2 3.48Å; S498-E501 PolarHBondContact O-N 3.49Å; S498-E501 WeakPolarHBondContact OG-CG 3.5Å; S498-E501 PolarHBondContact OG-N 3.22Å; S498-E501 PolarHBondContact OG-OE2 3.24Å; S498-A502 PolarHBondContact O-N 3.27Å
499	E	90.5	Very high	86.4	Confident	3 Å²	3	45.3 Å²	45.3	1%	0.014	20%	0.197	C	C	.	.	H	α-helix	trans	-58.2	-36.9	171.8	-81.6	-171.4	-119.6	0	0	112.5	E501 A502 S503 L598 V634 S635 W664 L671 P672	E499-E501 VanDerWaalsContact C-N 3.33Å; E499-E501 PolarHBondContact O-N 2.63Å; E499-A502 WeakPolarHBondContact O-CB 3.45Å; E499-A502 PolarHBondContact O-N 2.73Å; E499-S503 VanDerWaalsContact O-CB 3.31Å; E499-S503 WeakPolarHBondContact O-CB 3.21Å; E499-S503 PolarHBondContact O-N 3.44Å; E499-L598 HydrophobicContact CG-CD2 3.89Å; E499-V634 VanDerWaalsContact OE1-CA 3.25Å; E499-V634 WeakPolarHBondContact OE1-CA 3.06Å; E499-S635 PolarHBondContact OE1-N 3.5Å; E499-S635 WeakPolarHBondContact OE2-CB 3.41Å; E499-S635 PolarHBondContact OE2-OG 3.26Å; E499-W664 HydrophobicContact CB-CZ2 4.26Å; E499-W664 HydrophobicContact CG-CZ2 4.48Å; E499-W664 PolarHBondContact OE2-NE1 3.07Å; E499-L671 HydrophobicContact CB-CB 4.49Å; E499-P672 HydrophobicContact CB-CG 4.38Å; E499-P672 WeakPolarHBondContact OE1-CG 3.48Å
500	R	90.6	Very high	87	Confident	78 Å²	78	43.5 Å²	43.5	29%	0.294	19%	0.188	S	C	.	.	H	α-helix	trans	-60.5	-43.8	176.7	-177.7	-173.1	-85.7	-169.9	1.3	111.4	S498 S503 A504 K668 D669 L671 H673	S498-R500 PolarHBondContact O-N 3.14Å; R500-S503 PolarHBondContact O-N 3.29Å; R500-A504 PolarHBondContact O-N 2.95Å; R500-K668 WeakPolarHBondContact CG-O 3.42Å; R500-K668 PolarHBondContact NE-O 3.2Å; R500-D669 PolarHBondContact NH2-O 3.12Å; R500-L671 HydrophobicContact CB-CB 4.22Å; R500-H673 PolarHBondContact NE-CE1 2.95Å; R500-H673 PolarHBondContact NH1-CE1 3.03Å; R500-H673 VanDerWaalsContact NH1-CE1 3.29Å; R500-H673 PolarHBondContact NH1-NE2 2.88Å; R500-H673 PolarHBondContact NH2-NE2 3.02Å
501	E	89.7	Confident	87.8	Confident	79 Å²	79	45.8 Å²	45.8	37%	0.369	20%	0.199	S	C	.	.	H	α-helix	trans	-68.1	-41.4	177.9	-70.9	161.3	129.7	0	0	111.3	F497 S498 E499 S503 A504 V505	F497-E501 WeakPolarHBondContact CA-OE2 3.49Å; F497-E501 HydrophobicContact CD2-CB 3.86Å; F497-E501 HydrophobicContact CE2-CB 3.64Å; F497-E501 HydrophobicContact CZ-CB 4.16Å; S498-E501 WeakPolarHBondContact CB-OE2 3.45Å; S498-E501 PolarHBondContact N-OE2 3.48Å; S498-E501 PolarHBondContact O-N 3.49Å; S498-E501 WeakPolarHBondContact OG-CG 3.5Å; S498-E501 PolarHBondContact OG-N 3.22Å; S498-E501 PolarHBondContact OG-OE2 3.24Å; E499-E501 VanDerWaalsContact C-N 3.33Å; E499-E501 PolarHBondContact O-N 2.63Å; E501-S503 VanDerWaalsContact C-N 3.3Å; E501-S503 PolarHBondContact O-N 3.47Å; E501-A504 PolarHBondContact O-N 2.97Å; E501-V505 WeakPolarHBondContact O-CG2 3.49Å; E501-V505 PolarHBondContact O-N 3.38Å
502	A	91.9	Very high	88.4	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-57.5	-43.5	172.7	0	0	0	0	0	111.8	F497 S498 E499 V505 L506 L598 W664	F497-A502 HydrophobicContact CE1-CB 3.61Å; F497-A502 HydrophobicContact CZ-CB 4.01Å; S498-A502 PolarHBondContact O-N 3.27Å; E499-A502 WeakPolarHBondContact O-CB 3.45Å; E499-A502 PolarHBondContact O-N 2.73Å; A502-V505 PolarHBondContact O-N 2.6Å; A502-L506 WeakPolarHBondContact O-CB 3.35Å; A502-L506 PolarHBondContact O-N 3.38Å; A502-L598 HydrophobicContact CB-CD2 3.81Å; A502-W664 HydrophobicContact CB-CH2 3.98Å; A502-W664 HydrophobicContact CB-CZ2 4.39Å
503	S	94.5	Very high	89.2	Confident	0 Å²	0	45 Å²	45	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.4	-40.6	178.1	-177.9	0	0	0	0	111.9	E499 R500 E501 L506 Y507 W664 K668 L671	E499-S503 VanDerWaalsContact O-CB 3.31Å; E499-S503 WeakPolarHBondContact O-CB 3.21Å; E499-S503 PolarHBondContact O-N 3.44Å; R500-S503 PolarHBondContact O-N 3.29Å; E501-S503 VanDerWaalsContact C-N 3.3Å; E501-S503 PolarHBondContact O-N 3.47Å; S503-L506 PolarHBondContact O-N 3.46Å; S503-Y507 VanDerWaalsContact O-CB 3.23Å; S503-Y507 WeakPolarHBondContact O-CB 3.26Å; S503-Y507 PolarHBondContact O-N 3.35Å; S503-W664 VanDerWaalsContact CA-CH2 3.44Å; S503-W664 VanDerWaalsContact CA-CZ3 3.47Å; S503-W664 PolarHBondContact OG-O 3.33Å; S503-K668 WeakPolarHBondContact OG-CB 3.41Å; S503-L671 VanDerWaalsContact CB-CD1 3.47Å
504	A	92.3	Very high	89.9	Confident	21 Å²	21	37.3 Å²	37.3	17%	0.174	17%	0.168	C	C	.	.	H	α-helix	trans	-65.5	-41.6	176.2	0	0	0	0	0	112.9	R500 E501 T508 P540	R500-A504 PolarHBondContact O-N 2.95Å; E501-A504 PolarHBondContact O-N 2.97Å; A504-T508 PolarHBondContact O-N 2.94Å; A504-T508 PolarHBondContact O-OG1 2.91Å; A504-P540 HydrophobicContact CB-CG 4.05Å
505	V	93.1	Very high	90.7	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.018	17%	0.17	C	C	.	.	H	α-helix	trans	-62.8	-51.2	173.6	169.2	0	0	0	0	110.4	L487 I491 E501 A502 Y507 T508 I509 P540 I543 M597	L487-V505 HydrophobicContact CD1-CG1 3.86Å; L487-V505 HydrophobicContact CD2-CG1 3.93Å; L487-V505 HydrophobicContact CG-CG1 4.43Å; I491-V505 HydrophobicContact CD1-CG1 4.31Å; I491-V505 HydrophobicContact CD1-CG2 4.36Å; E501-V505 WeakPolarHBondContact O-CG2 3.49Å; E501-V505 PolarHBondContact O-N 3.38Å; A502-V505 PolarHBondContact O-N 2.6Å; V505-Y507 PolarHBondContact O-N 2.86Å; V505-T508 PolarHBondContact O-N 3.16Å; V505-I509 HydrophobicContact CG1-CD1 3.74Å; V505-I509 WeakPolarHBondContact O-CG1 3.4Å; V505-I509 PolarHBondContact O-N 3.16Å; V505-I509 VanDerWaalsContact O-N 3.16Å; V505-P540 HydrophobicContact CG2-CG 4.11Å; V505-I543 HydrophobicContact CG1-CD1 4.03Å; V505-I543 HydrophobicContact CG2-CD1 4.34Å; V505-M597 HydrophobicContact CB-SD 4.18Å; V505-M597 HydrophobicContact CG1-CE 4.22Å; V505-M597 HydrophobicContact CG1-SD 3.69Å
506	L	95.3	Very high	91.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.1	-43.1	-178.9	-174.6	63.4	0	0	0	111.7	A502 S503 T508 I509 T510 L590 L594 M597 L641 M645 W664 I665	A502-L506 WeakPolarHBondContact O-CB 3.35Å; A502-L506 PolarHBondContact O-N 3.38Å; S503-L506 PolarHBondContact O-N 3.46Å; L506-T508 VanDerWaalsContact C-N 3.29Å; L506-T508 PolarHBondContact O-N 3.03Å; L506-I509 PolarHBondContact O-N 2.98Å; L506-T510 VanDerWaalsContact O-CB 3.31Å; L506-T510 WeakPolarHBondContact O-CB 3.35Å; L506-T510 PolarHBondContact O-N 2.77Å; L506-T510 PolarHBondContact O-OG1 2.88Å; L506-L590 HydrophobicContact CD1-CB 4.18Å; L506-L594 HydrophobicContact CD2-CB 4.23Å; L506-L594 HydrophobicContact CD2-CD1 4.03Å; L506-L594 HydrophobicContact CD2-CD2 3.73Å; L506-L594 HydrophobicContact CD2-CG 4.19Å; L506-M597 HydrophobicContact CB-CE 4.37Å; L506-L641 HydrophobicContact CD2-CD2 4.3Å; L506-M645 HydrophobicContact CD1-CE 4.34Å; L506-M645 HydrophobicContact CD2-CE 4.43Å; L506-M645 HydrophobicContact CD2-SD 4.23Å; L506-W664 HydrophobicContact CD2-CZ3 3.95Å; L506-I665 HydrophobicContact CB-CD1 4.37Å; L506-I665 HydrophobicContact CD2-CD1 4.12Å; L506-I665 HydrophobicContact CG-CD1 4.31Å
507	Y	95.7	Very high	92.4	Very high	75 Å²	75	25.3 Å²	25.3	29%	0.294	11%	0.114	S	C	.	.	H	α-helix	trans	-53.6	-46.8	175.7	172.9	-98.7	0	0	0	111.7	S503 V505 K511 L660 I665	S503-Y507 VanDerWaalsContact O-CB 3.23Å; S503-Y507 WeakPolarHBondContact O-CB 3.26Å; S503-Y507 PolarHBondContact O-N 3.35Å; V505-Y507 PolarHBondContact O-N 2.86Å; Y507-K511 HydrophobicContact CE1-CD 4.06Å; Y507-K511 WeakPolarHBondContact O-CB 3.32Å; Y507-K511 PolarHBondContact O-N 3.48Å; Y507-L660 HydrophobicContact CD2-CD2 3.8Å; Y507-L660 HydrophobicContact CE2-CD2 4.01Å; Y507-I665 HydrophobicContact CD2-CG2 3.57Å; Y507-I665 HydrophobicContact CE2-CG2 4.43Å; Y507-I665 HydrophobicContact CG-CG2 4.39Å
508	T	95	Very high	92.3	Very high	9 Å²	9	29.4 Å²	29.4	6%	0.055	14%	0.143	C	C	.	.	H	α-helix	trans	-64.9	-44.9	-177.6	-54.2	0	0	0	0	111.6	N461 A504 V505 L506 T512 P540	N461-T508 WeakPolarHBondContact ND2-CG2 3.35Å; A504-T508 PolarHBondContact O-N 2.94Å; A504-T508 PolarHBondContact O-OG1 2.91Å; V505-T508 PolarHBondContact O-N 3.16Å; L506-T508 VanDerWaalsContact C-N 3.29Å; L506-T508 PolarHBondContact O-N 3.03Å; T508-T512 PolarHBondContact O-N 3.39Å; T508-T512 PolarHBondContact O-OG1 2.7Å; T508-P540 WeakPolarHBondContact CG2-O 3.48Å
509	I	95.2	Very high	91.7	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-68.6	-49	179.9	-57.2	164.2	0	0	0	110.1	L487 V505 L506 K511 T512 V513 I531 I543 I545 L590 L593	L487-I509 HydrophobicContact CD2-CD1 3.64Å; V505-I509 HydrophobicContact CG1-CD1 3.74Å; V505-I509 WeakPolarHBondContact O-CG1 3.4Å; V505-I509 PolarHBondContact O-N 3.16Å; V505-I509 VanDerWaalsContact O-N 3.16Å; L506-I509 PolarHBondContact O-N 2.98Å; I509-K511 VanDerWaalsContact C-N 3.32Å; I509-K511 PolarHBondContact O-N 3.18Å; I509-T512 WeakPolarHBondContact O-CB 3.33Å; I509-T512 PolarHBondContact O-N 2.96Å; I509-T512 VanDerWaalsContact O-N 3.07Å; I509-V513 HydrophobicContact CG2-CG2 4.43Å; I509-V513 WeakPolarHBondContact O-CG2 3.36Å; I509-V513 PolarHBondContact O-N 2.63Å; I509-I531 HydrophobicContact CD1-CD1 4.26Å; I509-I531 HydrophobicContact CD1-CG2 4.24Å; I509-I531 HydrophobicContact CG1-CG2 4.44Å; I509-I531 HydrophobicContact CG2-CD1 4.25Å; I509-I543 HydrophobicContact CG1-CG2 4.21Å; I509-I545 HydrophobicContact CG2-CD1 4.45Å; I509-L590 HydrophobicContact CB-CD2 4.31Å; I509-L590 HydrophobicContact CG2-CD2 3.4Å; I509-L593 HydrophobicContact CD1-CD2 3.7Å
510	T	96.3	Very high	90.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.1	-39	179.7	-55.1	0	0	0	0	111.7	L506 T512 V513 D514 L590 A656 V659 L660	L506-T510 VanDerWaalsContact O-CB 3.31Å; L506-T510 WeakPolarHBondContact O-CB 3.35Å; L506-T510 PolarHBondContact O-N 2.77Å; L506-T510 PolarHBondContact O-OG1 2.88Å; T510-T512 VanDerWaalsContact C-N 3.26Å; T510-T512 PolarHBondContact O-N 2.95Å; T510-V513 PolarHBondContact O-N 3.15Å; T510-D514 WeakPolarHBondContact O-CB 3.3Å; T510-D514 PolarHBondContact O-N 3.48Å; T510-L590 HydrophobicContact CG2-CD1 4.45Å; T510-A656 HydrophobicContact CG2-CB 4.19Å; T510-V659 HydrophobicContact CG2-CB 3.88Å; T510-V659 HydrophobicContact CG2-CG1 3.7Å; T510-L660 HydrophobicContact CG2-CD1 4.48Å; T510-L660 HydrophobicContact CG2-CD2 3.95Å; T510-L660 HydrophobicContact CG2-CG 3.8Å
511	K	96.2	Very high	90.4	Very high	100 Å²	100	30.7 Å²	30.7	44%	0.435	16%	0.156	S	C	.	.	H	α-helix	trans	-60.9	-37.3	174.9	-176.6	-178.8	179.7	-178.2	0	112	Y507 I509 Y515 L660	Y507-K511 HydrophobicContact CE1-CD 4.06Å; Y507-K511 WeakPolarHBondContact O-CB 3.32Å; Y507-K511 PolarHBondContact O-N 3.48Å; I509-K511 VanDerWaalsContact C-N 3.32Å; I509-K511 PolarHBondContact O-N 3.18Å; K511-Y515 PolarHBondContact O-N 3.35Å; K511-L660 HydrophobicContact CB-CD2 4.21Å
512	T	95.4	Very high	90	Very high	1 Å²	1	27 Å²	27	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-70.5	-40.3	176.4	-51	0	0	0	0	111.5	N461 I462 T508 I509 T510 Y515 L516 I545	N461-T512 HydrophobicContact CB-CG2 3.99Å; N461-T512 WeakPolarHBondContact CB-OG1 3.39Å; I462-T512 HydrophobicContact CD1-CG2 4.22Å; I462-T512 HydrophobicContact CG1-CG2 3.66Å; T508-T512 PolarHBondContact O-N 3.39Å; T508-T512 PolarHBondContact O-OG1 2.7Å; I509-T512 WeakPolarHBondContact O-CB 3.33Å; I509-T512 PolarHBondContact O-N 2.96Å; I509-T512 VanDerWaalsContact O-N 3.07Å; T510-T512 VanDerWaalsContact C-N 3.26Å; T510-T512 PolarHBondContact O-N 2.95Å; T512-Y515 WeakPolarHBondContact O-CB 3.01Å; T512-Y515 PolarHBondContact O-N 3.26Å; T512-L516 WeakPolarHBondContact O-CG 3.47Å; T512-L516 PolarHBondContact O-N 3.24Å; T512-L516 VanDerWaalsContact O-N 3.09Å; T512-I545 HydrophobicContact CG2-CD1 3.72Å; T512-I545 HydrophobicContact CG2-CG1 4.4Å
513	V	94	Very high	89.6	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.9	-41.1	176	173.2	0	0	0	0	111.4	I509 T510 L516 H517 L526 I545 D586 L590 A656	I509-V513 HydrophobicContact CG2-CG2 4.43Å; I509-V513 WeakPolarHBondContact O-CG2 3.36Å; I509-V513 PolarHBondContact O-N 2.63Å; T510-V513 PolarHBondContact O-N 3.15Å; V513-L516 WeakPolarHBondContact O-CB 3.43Å; V513-L516 PolarHBondContact O-N 2.9Å; V513-H517 VanDerWaalsContact CG1-CE1 3.44Å; V513-H517 WeakPolarHBondContact CG1-CE1 3.21Å; V513-H517 WeakPolarHBondContact CG1-NE2 3.32Å; V513-H517 WeakPolarHBondContact O-CB 3.41Å; V513-H517 PolarHBondContact O-CD2 3.25Å; V513-H517 VanDerWaalsContact O-CD2 3.3Å; V513-H517 VanDerWaalsContact O-CG 3.29Å; V513-H517 PolarHBondContact O-N 3.26Å; V513-L526 HydrophobicContact CG1-CD1 4.44Å; V513-L526 HydrophobicContact CG2-CD1 3.57Å; V513-L526 HydrophobicContact CG2-CD2 4.46Å; V513-I545 HydrophobicContact CG2-CD1 4.25Å; V513-D586 HydrophobicContact CG1-CB 4.17Å; V513-L590 HydrophobicContact CB-CD1 4.44Å; V513-L590 HydrophobicContact CG2-CD1 4.24Å; V513-A656 HydrophobicContact CG1-CB 4.4Å
514	D	94.3	Very high	89	Confident	35 Å²	35	31.7 Å²	31.7	19%	0.187	16%	0.157	C	C	.	.	H	α-helix	trans	-60.2	-45.8	174.1	-171.6	63.3	0	0	0	111.3	T510 L516 H517 C518 A656 E657 L660	T510-D514 WeakPolarHBondContact O-CB 3.3Å; T510-D514 PolarHBondContact O-N 3.48Å; D514-L516 VanDerWaalsContact C-N 3.32Å; D514-L516 PolarHBondContact O-N 2.72Å; D514-H517 PolarHBondContact O-N 2.94Å; D514-C518 WeakPolarHBondContact O-CB 3.43Å; D514-C518 PolarHBondContact O-N 2.87Å; D514-C518 PolarHBondContact O-SG 3.34Å; D514-A656 HydrophobicContact CB-CB 3.67Å; D514-E657 PolarHBondContact OD1-N 3.22Å; D514-E657 VanDerWaalsContact OD1-N 3.11Å; D514-L660 HydrophobicContact CB-CD1 3.68Å
515	Y	92.3	Very high	88.5	Confident	75 Å²	75	31.7 Å²	31.7	29%	0.294	16%	0.155	S	C	.	.	H	α-helix	trans	-54.8	-46.7	172.9	169.8	-101.6	0	0	0	112.1	Y456 H459 I462 K511 T512 Q519	Y456-Y515 HydrophobicContact CD1-CE1 4.16Å; H459-Y515 HydrophobicContact CB-CD1 4.2Å; H459-Y515 HydrophobicContact CB-CE1 3.83Å; H459-Y515 AromaticContact CD2-CD1 3.68Å; H459-Y515 AromaticContact CD2-CE1 3.97Å; H459-Y515 AromaticContact CD2-CG 3.79Å; H459-Y515 AromaticContact CG-CD1 3.96Å; I462-Y515 HydrophobicContact CD1-CD1 4.3Å; I462-Y515 HydrophobicContact CD1-CE1 4.27Å; K511-Y515 PolarHBondContact O-N 3.35Å; T512-Y515 WeakPolarHBondContact O-CB 3.01Å; T512-Y515 PolarHBondContact O-N 3.26Å; Y515-Q519 HydrophobicContact CE2-CG 4.37Å; Y515-Q519 VanDerWaalsContact O-CG 3.29Å; Y515-Q519 WeakPolarHBondContact O-CG 3.35Å; Y515-Q519 PolarHBondContact O-N 3.09Å
516	L	88.1	Confident	87.9	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-62.4	-48.6	176.1	-71.8	170.7	0	0	0	111.6	I462 T512 V513 D514 C518 Q519 G520 V521 F548	I462-L516 HydrophobicContact CD1-CD1 4.3Å; I462-L516 HydrophobicContact CD1-CD2 3.68Å; I462-L516 HydrophobicContact CD1-CG 4.05Å; T512-L516 WeakPolarHBondContact O-CG 3.47Å; T512-L516 PolarHBondContact O-N 3.24Å; T512-L516 VanDerWaalsContact O-N 3.09Å; V513-L516 WeakPolarHBondContact O-CB 3.43Å; V513-L516 PolarHBondContact O-N 2.9Å; D514-L516 VanDerWaalsContact C-N 3.32Å; D514-L516 PolarHBondContact O-N 2.72Å; L516-C518 PolarHBondContact O-N 3.31Å; L516-Q519 CarbonylContact O-C 3.58Å; L516-Q519 WeakPolarHBondContact O-CA 3.34Å; L516-Q519 WeakPolarHBondContact O-CB 3.46Å; L516-Q519 PolarHBondContact O-N 3.46Å; L516-G520 PolarHBondContact O-N 3.28Å; L516-V521 CarbonylContact C-O 3.54Å; L516-V521 HydrophobicContact CB-CB 4.13Å; L516-V521 HydrophobicContact CB-CG1 4.46Å; L516-V521 HydrophobicContact CD2-CB 3.99Å; L516-V521 HydrophobicContact CD2-CG1 3.95Å; L516-V521 PolarHBondContact O-N 3.3Å; L516-F548 HydrophobicContact CD1-CE1 3.76Å; L516-F548 HydrophobicContact CD1-CZ 4.01Å; L516-F548 HydrophobicContact CD2-CE1 4.05Å
517	H	86.1	Confident	87.3	Confident	38 Å²	38	34 Å²	34	18%	0.176	17%	0.165	C	C	.	.	H	α-helix	trans	-62.2	-40.6	-178.2	-72.5	-169.6	0	0	0	112	V513 D514 Q519 G520 V521 A583 D586	V513-H517 VanDerWaalsContact CG1-CE1 3.44Å; V513-H517 WeakPolarHBondContact CG1-CE1 3.21Å; V513-H517 WeakPolarHBondContact CG1-NE2 3.32Å; V513-H517 WeakPolarHBondContact O-CB 3.41Å; V513-H517 PolarHBondContact O-CD2 3.25Å; V513-H517 VanDerWaalsContact O-CD2 3.3Å; V513-H517 VanDerWaalsContact O-CG 3.29Å; V513-H517 PolarHBondContact O-N 3.26Å; D514-H517 PolarHBondContact O-N 2.94Å; H517-Q519 PolarHBondContact O-N 2.99Å; H517-G520 WeakPolarHBondContact O-CA 3.3Å; H517-G520 PolarHBondContact O-N 3.24Å; H517-V521 PolarHBondContact CD2-O 2.96Å; H517-V521 VanDerWaalsContact CD2-O 3.3Å; H517-V521 PolarHBondContact N-O 3.15Å; H517-A583 PolarHBondContact CE1-O 3.12Å; H517-D586 IonicContact CD2-OD2 3.42Å; H517-D586 IonicContact CE1-OD2 2.86Å; H517-D586 IonicContact NE2-OD2 3.58Å; H517-D586 PolarHBondContact NE2-OD2 3.13Å
518	C	83	Confident	86.4	Confident	92 Å²	92	31 Å²	31	62%	0.622	15%	0.154	S	C	*	.	H	α-helix	trans	-63	-29.2	173.8	-71.9	0	0	0	0	113	D514 L516	D514-C518 WeakPolarHBondContact O-CB 3.43Å; D514-C518 PolarHBondContact O-N 2.87Å; D514-C518 PolarHBondContact O-SG 3.34Å; L516-C518 PolarHBondContact O-N 3.31Å
519	Q	76	Confident	85.7	Confident	94 Å²	94	32.8 Å²	32.8	44%	0.439	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	3.8	173.4	-62.4	-60.4	-45.6	0	0	112.4	Y456 Y515 L516 H517 V521 Q553	Y456-Q519 HydrophobicContact CD1-CB 4.36Å; Y456-Q519 HydrophobicContact CD1-CG 4.22Å; Y456-Q519 HydrophobicContact CE1-CB 3.58Å; Y456-Q519 HydrophobicContact CE1-CG 3.67Å; Y515-Q519 HydrophobicContact CE2-CG 4.37Å; Y515-Q519 VanDerWaalsContact O-CG 3.29Å; Y515-Q519 WeakPolarHBondContact O-CG 3.35Å; Y515-Q519 PolarHBondContact O-N 3.09Å; L516-Q519 CarbonylContact O-C 3.58Å; L516-Q519 WeakPolarHBondContact O-CA 3.34Å; L516-Q519 WeakPolarHBondContact O-CB 3.46Å; L516-Q519 PolarHBondContact O-N 3.46Å; H517-Q519 PolarHBondContact O-N 2.99Å; Q519-V521 VanDerWaalsContact C-N 3.3Å; Q519-V521 PolarHBondContact O-N 3.3Å; Q519-Q553 PolarHBondContact O-NE2 3.44Å
520	G	74.3	Confident	85.3	Confident	20 Å²	20	33.3 Å²	33.3	21%	0.206	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	4.4	-176.8	0	0	0	0	0	114.2	L516 H517 L554	L516-G520 PolarHBondContact O-N 3.28Å; H517-G520 WeakPolarHBondContact O-CA 3.3Å; H517-G520 PolarHBondContact O-N 3.24Å; G520-L554 VanDerWaalsContact O-CA 3.23Å; G520-L554 WeakPolarHBondContact O-CA 3.23Å; G520-L554 WeakPolarHBondContact O-CB 3.32Å; G520-L554 PolarHBondContact O-N 2.74Å
521	V	79.9	Confident	85.1	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	130.4	177.9	-180	0	0	0	0	110.3	I452 Y456 L516 H517 Q519 A551 K552	I452-V521 HydrophobicContact CD1-CG1 4.22Å; I452-V521 HydrophobicContact CG2-CG1 4.12Å; Y456-V521 HydrophobicContact CD2-CG2 3.87Å; Y456-V521 HydrophobicContact CE2-CG2 3.37Å; L516-V521 CarbonylContact C-O 3.54Å; L516-V521 HydrophobicContact CB-CB 4.13Å; L516-V521 HydrophobicContact CB-CG1 4.46Å; L516-V521 HydrophobicContact CD2-CB 3.99Å; L516-V521 HydrophobicContact CD2-CG1 3.95Å; L516-V521 PolarHBondContact O-N 3.3Å; H517-V521 PolarHBondContact CD2-O 2.96Å; H517-V521 VanDerWaalsContact CD2-O 3.3Å; H517-V521 PolarHBondContact N-O 3.15Å; Q519-V521 VanDerWaalsContact C-N 3.3Å; Q519-V521 PolarHBondContact O-N 3.3Å; V521-A551 HydrophobicContact CG1-CB 4.4Å; V521-K552 WeakPolarHBondContact CA-O 3.43Å
522	V	81.2	Confident	84.8	Confident	3 Å²	3	30.2 Å²	30.2	2%	0.018	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.3	170	-177.4	0	0	0	0	109.5	R524 A551 K552 L554 D582 A583 D586	V522-R524 HydrophobicContact CB-CG 4.32Å; V522-R524 HydrophobicContact CG1-CG 3.71Å; V522-A551 CarbonylContact O-C 3.56Å; V522-A551 VanDerWaalsContact O-CA 3.27Å; V522-A551 WeakPolarHBondContact O-CA 3.41Å; V522-K552 PolarHBondContact N-O 3.2Å; V522-K552 PolarHBondContact O-N 3.41Å; V522-L554 HydrophobicContact CB-CD1 4.19Å; V522-L554 HydrophobicContact CB-CG 4.44Å; V522-L554 HydrophobicContact CG2-CD1 3.3Å; V522-L554 HydrophobicContact CG2-CG 3.89Å; V522-D582 VanDerWaalsContact CG1-C 3.45Å; V522-D582 HydrophobicContact CG1-CB 3.97Å; V522-D582 VanDerWaalsContact CG1-O 3.28Å; V522-D582 WeakPolarHBondContact CG1-O 3.42Å; V522-A583 HydrophobicContact CG2-CB 4.08Å; V522-D586 VanDerWaalsContact CG1-OD2 3.24Å; V522-D586 WeakPolarHBondContact CG1-OD2 3.31Å
523	H	84.2	Confident	84.6	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.			trans	-81.7	-41.1	-171.1	-174.1	-56.9	0	0	0	112.8	D525 L526 I545 D547 F550 A551 D586	H523-D525 VanDerWaalsContact CE1-C 3.46Å; H523-D525 PolarHBondContact CE1-O 3.31Å; H523-D525 VanDerWaalsContact CE1-O 3.24Å; H523-D525 VanDerWaalsContact ND1-C 3.31Å; H523-D525 PolarHBondContact ND1-N 3.08Å; H523-D525 PolarHBondContact O-N 3.26Å; H523-L526 HydrophobicContact CB-CD1 4.47Å; H523-L526 HydrophobicContact CB-CD2 4.01Å; H523-L526 HydrophobicContact CB-CG 3.89Å; H523-L526 PolarHBondContact ND1-N 2.98Å; H523-I545 WeakPolarHBondContact CD2-CG2 3.23Å; H523-I545 WeakPolarHBondContact NE2-CG2 3.32Å; H523-D547 PolarHBondContact CE1-O 2.95Å; H523-D547 PolarHBondContact NE2-O 3.21Å; H523-D547 VanDerWaalsContact NE2-O 3.11Å; H523-F550 CarbonylContact O-C 3.5Å; H523-A551 WeakPolarHBondContact O-CA 3.04Å; H523-A551 PolarHBondContact O-N 2.98Å; H523-D586 PolarHBondContact N-OD2 2.98Å
524	R	80.8	Confident	84.4	Confident	97 Å²	97	33 Å²	33	37%	0.366	17%	0.171	S	C	.	.	S	Bend	trans	62.9	3.8	174.8	-51.7	-174.7	-62	171.8	3.2	117	V522 F550 D582 D586	V522-R524 HydrophobicContact CB-CG 4.32Å; V522-R524 HydrophobicContact CG1-CG 3.71Å; R524-F550 PolarHBondContact NE-O 3.09Å; R524-F550 PolarHBondContact NH2-O 3.26Å; R524-D582 WeakPolarHBondContact CD-OD2 3.41Å; R524-D582 HydrophobicContact CG-CB 4.29Å; R524-D582 IonicContact NH1-OD2 3.56Å; R524-D586 PolarHBondContact N-OD1 2.97Å
525	D	81.7	Confident	84.1	Confident	22 Å²	22	34.1 Å²	34.1	12%	0.118	18%	0.177	C	C	.	.			trans	-149.3	39.1	178.5	-169.2	34.8	0	0	0	110.2	H523 K527 N530 F550	H523-D525 VanDerWaalsContact CE1-C 3.46Å; H523-D525 PolarHBondContact CE1-O 3.31Å; H523-D525 VanDerWaalsContact CE1-O 3.24Å; H523-D525 VanDerWaalsContact ND1-C 3.31Å; H523-D525 PolarHBondContact ND1-N 3.08Å; H523-D525 PolarHBondContact O-N 3.26Å; D525-K527 PolarHBondContact O-N 2.64Å; D525-K527 VanDerWaalsContact O-N 3.11Å; D525-K527 IonicContact OD1-NZ 2.91Å; D525-K527 PolarHBondContact OD1-NZ 2.91Å; D525-K527 IonicContact OD2-NZ 2.7Å; D525-K527 PolarHBondContact OD2-NZ 2.72Å; D525-N530 PolarHBondContact O-ND2 3.38Å; D525-N530 PolarHBondContact OD2-ND2 2.86Å; D525-F550 HydrophobicContact CB-CB 3.88Å; D525-F550 HydrophobicContact CB-CD2 3.84Å; D525-F550 HydrophobicContact CB-CG 4.18Å; D525-F550 WeakPolarHBondContact OD2-CD2 3.34Å
526	L	82	Confident	83.8	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.01	19%	0.194	C	C	.	.			trans	-69.6	107.4	171	-70.3	176.9	0	0	0	108	V513 H523 I545 D586 S589 L590 Y693	V513-L526 HydrophobicContact CG1-CD1 4.44Å; V513-L526 HydrophobicContact CG2-CD1 3.57Å; V513-L526 HydrophobicContact CG2-CD2 4.46Å; H523-L526 HydrophobicContact CB-CD1 4.47Å; H523-L526 HydrophobicContact CB-CD2 4.01Å; H523-L526 HydrophobicContact CB-CG 3.89Å; H523-L526 PolarHBondContact ND1-N 2.98Å; L526-I545 HydrophobicContact CD2-CD1 4.11Å; L526-I545 HydrophobicContact CD2-CG2 4.09Å; L526-D586 HydrophobicContact CD1-CB 3.6Å; L526-S589 WeakPolarHBondContact O-CB 3.11Å; L526-L590 HydrophobicContact CD1-CD2 4.31Å; L526-L590 HydrophobicContact CD1-CG 4.39Å; L526-Y693 WeakPolarHBondContact O-CE1 3.18Å; L526-Y693 PolarHBondContact O-OH 3.36Å
527	K	81.1	Confident	83.6	Confident	50 Å²	50	39.8 Å²	39.8	22%	0.217	22%	0.218	C	C	.	.			trans	-141.3	157.7	173.7	58.4	175.4	179.8	-110.6	0	109.2	D525 S529 N530 Y693	D525-K527 PolarHBondContact O-N 2.64Å; D525-K527 VanDerWaalsContact O-N 3.11Å; D525-K527 IonicContact OD1-NZ 2.91Å; D525-K527 PolarHBondContact OD1-NZ 2.91Å; D525-K527 IonicContact OD2-NZ 2.7Å; D525-K527 PolarHBondContact OD2-NZ 2.72Å; K527-S529 WeakPolarHBondContact CD-OG 3.38Å; K527-S529 WeakPolarHBondContact CE-OG 3.4Å; K527-S529 WeakPolarHBondContact CG-OG 3.22Å; K527-S529 PolarHBondContact O-N 3.28Å; K527-S529 VanDerWaalsContact O-N 3.13Å; K527-N530 WeakPolarHBondContact CE-ND2 3.49Å; K527-N530 WeakPolarHBondContact CE-OD1 3.4Å; K527-N530 HydrophobicContact CG-CB 4.16Å; K527-N530 WeakPolarHBondContact CG-ND2 3.39Å; K527-N530 WeakPolarHBondContact O-CB 3.32Å; K527-N530 PolarHBondContact O-N 3.17Å; K527-Y693 HydrophobicContact CB-CD1 4.12Å; K527-Y693 HydrophobicContact CB-CD2 3.93Å; K527-Y693 HydrophobicContact CB-CE1 4.03Å; K527-Y693 HydrophobicContact CB-CE2 3.86Å; K527-Y693 HydrophobicContact CB-CG 4.09Å
528	P	77.6	Confident	83.1	Confident	10 Å²	10	38.8 Å²	38.8	7%	0.065	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-59.6	-30.4	-174.2	-18.3	24.4	0	0	0	114.5	L488 N530 I531 L593 M689	L488-P528 HydrophobicContact CB-CB 3.76Å; L488-P528 HydrophobicContact CB-CG 4.5Å; L488-P528 HydrophobicContact CD2-CB 4.19Å; L488-P528 HydrophobicContact CD2-CG 4.13Å; P528-N530 PolarHBondContact O-N 3.01Å; P528-I531 PolarHBondContact O-N 3.42Å; P528-I531 VanDerWaalsContact O-O 3.11Å; P528-L593 HydrophobicContact CG-CD1 4.24Å; P528-M689 HydrophobicContact CG-CE 3.59Å; P528-M689 HydrophobicContact CG-CG 4.17Å; P528-M689 HydrophobicContact CG-SD 3.37Å; P528-M689 WeakPolarHBondContact CG-SD 3.41Å
529	S	79.7	Confident	83.3	Confident	47 Å²	47	37.8 Å²	37.8	33%	0.329	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-67.4	-16.8	176.3	64.6	0	0	0	0	113.6	K527	K527-S529 WeakPolarHBondContact CD-OG 3.38Å; K527-S529 WeakPolarHBondContact CE-OG 3.4Å; K527-S529 WeakPolarHBondContact CG-OG 3.22Å; K527-S529 PolarHBondContact O-N 3.28Å; K527-S529 VanDerWaalsContact O-N 3.13Å
530	N	87.7	Confident	83.7	Confident	12 Å²	12	34.6 Å²	34.6	6%	0.064	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-100.4	2.4	179.3	-65.2	-3.5	0	0	0	112.1	D525 K527 P528 C546 D547	D525-N530 PolarHBondContact O-ND2 3.38Å; D525-N530 PolarHBondContact OD2-ND2 2.86Å; K527-N530 WeakPolarHBondContact CE-ND2 3.49Å; K527-N530 WeakPolarHBondContact CE-OD1 3.4Å; K527-N530 HydrophobicContact CG-CB 4.16Å; K527-N530 WeakPolarHBondContact CG-ND2 3.39Å; K527-N530 WeakPolarHBondContact O-CB 3.32Å; K527-N530 PolarHBondContact O-N 3.17Å; P528-N530 PolarHBondContact O-N 3.01Å; N530-C546 PolarHBondContact O-N 3.26Å; N530-D547 HydrophobicContact CB-CB 4.08Å
531	I	90.8	Very high	84.4	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	109.3	179.7	-54.4	170.5	0	0	0	107.7	L487 I509 P528 I543 L593	L487-I531 HydrophobicContact CB-CB 4.31Å; L487-I531 HydrophobicContact CB-CG2 4.11Å; L487-I531 VanDerWaalsContact CB-O 3.31Å; L487-I531 WeakPolarHBondContact CB-O 3.49Å; L487-I531 HydrophobicContact CD2-CB 4.38Å; L487-I531 HydrophobicContact CD2-CG2 3.87Å; L487-I531 PolarHBondContact N-O 2.76Å; I509-I531 HydrophobicContact CD1-CD1 4.26Å; I509-I531 HydrophobicContact CD1-CG2 4.24Å; I509-I531 HydrophobicContact CG1-CG2 4.44Å; I509-I531 HydrophobicContact CG2-CD1 4.25Å; P528-I531 PolarHBondContact O-N 3.42Å; P528-I531 VanDerWaalsContact O-O 3.11Å; I531-I543 HydrophobicContact CG2-CG2 3.44Å; I531-I543 VanDerWaalsContact CG2-CG2 3.44Å; I531-L593 HydrophobicContact CD1-CD2 4.09Å
532	L	91.6	Very high	84.9	Confident	34 Å²	34	39 Å²	39	18%	0.178	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	155.9	-172.6	-64.1	103.7	0	0	0	111.6	M482 G485 E486 I543 R544 C546	M482-L532 HydrophobicContact CB-CB 3.81Å; M482-L532 HydrophobicContact CB-CD2 4.09Å; M482-L532 HydrophobicContact CB-CG 4.49Å; M482-L532 HydrophobicContact CG-CB 3.91Å; G485-L532 CarbonylContact O-C 3.54Å; G485-L532 VanDerWaalsContact O-CA 3.31Å; G485-L532 WeakPolarHBondContact O-CA 3.5Å; E486-L532 HydrophobicContact CG-CD2 4.33Å; L532-I543 CarbonylContact O-C 3.17Å; L532-I543 WeakPolarHBondContact O-CA 3.15Å; L532-R544 PolarHBondContact N-O 2.96Å; L532-R544 PolarHBondContact O-N 3.21Å; L532-C546 HydrophobicContact CD1-CB 3.64Å; L532-C546 WeakPolarHBondContact CD1-SG 2.81Å
533	Y	90.6	Very high	85.5	Confident	3 Å²	3	39 Å²	39	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	134.1	167.2	-72	-81.6	0	0	0	110.1	G484 G485 L487 R490 D535 N539 S542 I543	G484-Y533 VanDerWaalsContact CA-O 3.3Å; G484-Y533 WeakPolarHBondContact CA-O 3.35Å; G484-Y533 PolarHBondContact N-O 3.42Å; G485-Y533 PolarHBondContact O-N 3.11Å; L487-Y533 HydrophobicContact CB-CE2 4.49Å; L487-Y533 HydrophobicContact CD1-CE2 3.53Å; L487-Y533 WeakPolarHBondContact CD1-OH 3.49Å; R490-Y533 HydrophobicContact CB-CD2 4.37Å; R490-Y533 HydrophobicContact CB-CE2 4.06Å; R490-Y533 HydrophobicContact CG-CE2 4.31Å; Y533-D535 PolarHBondContact O-N 3.18Å; Y533-N539 WeakPolarHBondContact CE1-O 3.48Å; Y533-S542 WeakPolarHBondContact CD1-OG 3.49Å; Y533-I543 HydrophobicContact CD1-CG1 3.8Å; Y533-I543 HydrophobicContact CE1-CD1 4.06Å; Y533-I543 HydrophobicContact CE1-CG1 3.44Å; Y533-I543 VanDerWaalsContact CE1-CG1 3.44Å
534	M	89.8	Confident	86	Confident	55 Å²	55	40.2 Å²	40.2	27%	0.271	22%	0.218	S	C	.	.	S	Bend	trans	-60.5	-37.1	171.8	173.6	-171.5	-92.1	0	0	111.4	E480 M482 K483 S542 R544	E480-M534 WeakPolarHBondContact OE2-CE 3.17Å; M482-M534 HydrophobicContact CE-CB 4.39Å; M482-M534 HydrophobicContact CE-CG 4.46Å; M482-M534 HydrophobicContact SD-CB 4.35Å; K483-M534 PolarHBondContact N-O 3.23Å; M534-S542 WeakPolarHBondContact CB-O 3.36Å; M534-S542 PolarHBondContact N-O 3.22Å; M534-R544 HydrophobicContact CB-CG 4.36Å
535	D	88.1	Confident	86.6	Confident	60 Å²	60	35.6 Å²	35.6	32%	0.321	20%	0.201	S	C	.	.	S	Bend	trans	-141.4	172.2	-172.1	61.5	33.7	0	0	0	114	G484 R490 Y533 S537 S542	G484-D535 VanDerWaalsContact CA-O 3.24Å; G484-D535 WeakPolarHBondContact CA-O 3.41Å; R490-D535 PolarHBondContact NH1-O 3.11Å; Y533-D535 PolarHBondContact O-N 3.18Å; D535-S537 PolarHBondContact O-N 3.44Å; D535-S537 WeakPolarHBondContact OD1-CB 3.39Å; D535-S537 PolarHBondContact OD1-N 3.12Å; D535-S537 PolarHBondContact OD1-OG 3.18Å; D535-S542 WeakPolarHBondContact OD1-CB 3.3Å; D535-S542 PolarHBondContact OD1-OG 3.3Å
536	D	85	Confident	86.8	Confident	122 Å²	122	35.5 Å²	35.5	65%	0.652	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	18.6	177.9	-62.7	-44.7	0	0	0	113.4	R490	R490-D536 PolarHBondContact NH2-O 3.03Å
537	S	84.7	Confident	87	Confident	72 Å²	72	36.8 Å²	36.8	50%	0.503	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-34.8	176.5	71.4	0	0	0	0	113	D535 N539 S542	D535-S537 PolarHBondContact O-N 3.44Å; D535-S537 WeakPolarHBondContact OD1-CB 3.39Å; D535-S537 PolarHBondContact OD1-N 3.12Å; D535-S537 PolarHBondContact OD1-OG 3.18Å; S537-N539 PolarHBondContact O-N 2.87Å; S537-N539 WeakPolarHBondContact OG-CB 3.12Å; S537-N539 PolarHBondContact OG-N 3.37Å; S537-N539 VanDerWaalsContact OG-N 3.16Å; S537-S542 PolarHBondContact OG-OG 3.09Å
538	G	76.4	Confident	87.3	Confident	17 Å²	17	34.4 Å²	34.4	18%	0.175	20%	0.198	C	C	.	.			trans	73.9	7.9	-174.3	0	0	0	0	0	113	R490	R490-G538 VanDerWaalsContact NH1-N 3.16Å
539	N	85.9	Confident	87.3	Confident	72 Å²	72	34.2 Å²	34.2	39%	0.385	20%	0.198	S	C	.	.			trans	-68.5	129	172.8	-177	-12.7	0	0	0	109.2	Y533 S537 D541 S542	Y533-N539 WeakPolarHBondContact CE1-O 3.48Å; S537-N539 PolarHBondContact O-N 2.87Å; S537-N539 WeakPolarHBondContact OG-CB 3.12Å; S537-N539 PolarHBondContact OG-N 3.37Å; S537-N539 VanDerWaalsContact OG-N 3.16Å; N539-D541 PolarHBondContact ND2-OD2 2.86Å; N539-D541 PolarHBondContact O-N 3.27Å; N539-D541 VanDerWaalsContact O-N 3.07Å; N539-D541 PolarHBondContact OD1-N 3.11Å; N539-D541 PolarHBondContact OD1-OD2 2.92Å; N539-S542 PolarHBondContact O-N 3.2Å; N539-S542 PolarHBondContact O-OG 2.87Å; N539-S542 VanDerWaalsContact O-OG 3.11Å
540	P	85.5	Confident	87.1	Confident	27 Å²	27	35.1 Å²	35.1	18%	0.175	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-46.8	-33.7	170.6	-30.1	36.1	0	0	0	114.5	A504 V505 T508 S542 I543	A504-P540 HydrophobicContact CB-CG 4.05Å; V505-P540 HydrophobicContact CG2-CG 4.11Å; T508-P540 WeakPolarHBondContact CG2-O 3.48Å; P540-S542 PolarHBondContact O-N 3.48Å; P540-I543 HydrophobicContact CB-CD1 4.25Å; P540-I543 WeakPolarHBondContact O-CB 3.33Å; P540-I543 WeakPolarHBondContact O-CD1 3.39Å; P540-I543 WeakPolarHBondContact O-CG1 3.19Å; P540-I543 PolarHBondContact O-N 3.39Å
541	D	87.6	Confident	86.5	Confident	106 Å²	106	34.7 Å²	34.7	57%	0.567	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-62.8	-23.1	178.8	-61.9	-33.6	0	0	0	113.6	N461 N539 I543 R544	N461-D541 PolarHBondContact ND2-O 3.35Å; N539-D541 PolarHBondContact ND2-OD2 2.86Å; N539-D541 PolarHBondContact O-N 3.27Å; N539-D541 VanDerWaalsContact O-N 3.07Å; N539-D541 PolarHBondContact OD1-N 3.11Å; N539-D541 PolarHBondContact OD1-OD2 2.92Å; D541-I543 VanDerWaalsContact C-N 3.31Å; D541-R544 PolarHBondContact O-NH1 3.29Å
542	S	90.8	Very high	85.5	Confident	7 Å²	7	39 Å²	39	5%	0.049	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-87	2.5	176.7	78.7	0	0	0	0	113.5	Y533 M534 D535 S537 N539 P540 R544	Y533-S542 WeakPolarHBondContact CD1-OG 3.49Å; M534-S542 WeakPolarHBondContact CB-O 3.36Å; M534-S542 PolarHBondContact N-O 3.22Å; D535-S542 WeakPolarHBondContact OD1-CB 3.3Å; D535-S542 PolarHBondContact OD1-OG 3.3Å; S537-S542 PolarHBondContact OG-OG 3.09Å; N539-S542 PolarHBondContact O-N 3.2Å; N539-S542 PolarHBondContact O-OG 2.87Å; N539-S542 VanDerWaalsContact O-OG 3.11Å; P540-S542 PolarHBondContact O-N 3.48Å; S542-R544 VanDerWaalsContact C-NH1 3.29Å; S542-R544 PolarHBondContact O-NH1 3.13Å
543	I	93.9	Very high	84.4	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	137	174	-65.7	171.1	0	0	0	110.6	N461 L487 V505 I509 I531 L532 Y533 P540 D541	N461-I543 WeakPolarHBondContact CA-O 3.28Å; N461-I543 PolarHBondContact ND2-O 3.49Å; L487-I543 HydrophobicContact CD1-CD1 3.84Å; L487-I543 HydrophobicContact CD1-CG1 4.32Å; V505-I543 HydrophobicContact CG1-CD1 4.03Å; V505-I543 HydrophobicContact CG2-CD1 4.34Å; I509-I543 HydrophobicContact CG1-CG2 4.21Å; I531-I543 HydrophobicContact CG2-CG2 3.44Å; I531-I543 VanDerWaalsContact CG2-CG2 3.44Å; L532-I543 CarbonylContact O-C 3.17Å; L532-I543 WeakPolarHBondContact O-CA 3.15Å; Y533-I543 HydrophobicContact CD1-CG1 3.8Å; Y533-I543 HydrophobicContact CE1-CD1 4.06Å; Y533-I543 HydrophobicContact CE1-CG1 3.44Å; Y533-I543 VanDerWaalsContact CE1-CG1 3.44Å; P540-I543 HydrophobicContact CB-CD1 4.25Å; P540-I543 WeakPolarHBondContact O-CB 3.33Å; P540-I543 WeakPolarHBondContact O-CD1 3.39Å; P540-I543 WeakPolarHBondContact O-CG1 3.19Å; P540-I543 PolarHBondContact O-N 3.39Å; D541-I543 VanDerWaalsContact C-N 3.31Å
544	R	93.9	Very high	83	Confident	25 Å²	25	40.5 Å²	40.5	9%	0.094	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	134.2	173.8	-57.5	-66.2	178	-93.1	8.7	110.4	P460 N461 M482 L532 M534 D541 S542 C546	P460-R544 WeakPolarHBondContact O-CD 3.38Å; P460-R544 PolarHBondContact O-NE 2.94Å; P460-R544 PolarHBondContact O-NH1 3.41Å; P460-R544 PolarHBondContact O-NH2 3.47Å; P460-R544 VanDerWaalsContact O-NH2 3.12Å; N461-R544 CarbonylContact O-C 3.5Å; N461-R544 WeakPolarHBondContact O-CA 3.37Å; M482-R544 HydrophobicContact CE-CG 4.35Å; M482-R544 HydrophobicContact SD-CB 3.7Å; M482-R544 HydrophobicContact SD-CG 3.59Å; M482-R544 VanDerWaalsContact SD-CG 3.59Å; L532-R544 PolarHBondContact N-O 2.96Å; L532-R544 PolarHBondContact O-N 3.21Å; M534-R544 HydrophobicContact CB-CG 4.36Å; D541-R544 PolarHBondContact O-NH1 3.29Å; S542-R544 VanDerWaalsContact C-NH1 3.29Å; S542-R544 PolarHBondContact O-NH1 3.13Å; R544-C546 PolarHBondContact O-SG 2.65Å; R544-C546 VanDerWaalsContact O-SG 3.35Å
545	I	93.9	Very high	81.2	Confident	1 Å²	1	40 Å²	40	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	126.2	164.9	-57.3	-179.9	0	0	0	107.6	N461 I463 I509 T512 V513 H523 L526 F548	N461-I545 PolarHBondContact O-N 2.81Å; I463-I545 WeakPolarHBondContact CB-O 3.39Å; I463-I545 PolarHBondContact N-O 3.25Å; I509-I545 HydrophobicContact CG2-CD1 4.45Å; T512-I545 HydrophobicContact CG2-CD1 3.72Å; T512-I545 HydrophobicContact CG2-CG1 4.4Å; V513-I545 HydrophobicContact CG2-CD1 4.25Å; H523-I545 WeakPolarHBondContact CD2-CG2 3.23Å; H523-I545 WeakPolarHBondContact NE2-CG2 3.32Å; L526-I545 HydrophobicContact CD2-CD1 4.11Å; L526-I545 HydrophobicContact CD2-CG2 4.09Å; I545-F548 HydrophobicContact CB-CE2 4.21Å; I545-F548 HydrophobicContact CB-CZ 4.34Å; I545-F548 HydrophobicContact CG2-CE2 3.82Å; I545-F548 HydrophobicContact CG2-CZ 3.96Å; I545-F548 WeakPolarHBondContact O-CE2 3.5Å
546	C	87.1	Confident	79.3	Confident	20 Å²	20	39.8 Å²	39.8	14%	0.135	23%	0.228	C	C	.	.			trans	-116.5	-26.8	-161.7	-63.4	0	0	0	0	116.5	I463 N530 L532 R544	I463-C546 HydrophobicContact CB-CB 4.39Å; I463-C546 HydrophobicContact CD1-CB 3.95Å; I463-C546 WeakPolarHBondContact CG2-O 3.24Å; N530-C546 PolarHBondContact O-N 3.26Å; L532-C546 HydrophobicContact CD1-CB 3.64Å; L532-C546 WeakPolarHBondContact CD1-SG 2.81Å; R544-C546 PolarHBondContact O-SG 2.65Å; R544-C546 VanDerWaalsContact O-SG 3.35Å
547	D	85.9	Confident	77.1	Confident	28 Å²	28	38 Å²	38	15%	0.15	24%	0.238	C	C	.	.			trans	-113.9	95.1	-174.6	-168.6	-1.8	0	0	0	112	K437 H523 N530 G549	K437-D547 IonicContact NZ-OD1 3.53Å; K437-D547 PolarHBondContact NZ-OD1 3.38Å; H523-D547 PolarHBondContact CE1-O 2.95Å; H523-D547 PolarHBondContact NE2-O 3.21Å; H523-D547 VanDerWaalsContact NE2-O 3.11Å; N530-D547 HydrophobicContact CB-CB 4.08Å; D547-G549 VanDerWaalsContact C-N 3.29Å; D547-G549 PolarHBondContact OD1-N 3.5Å
548	F	86.6	Confident	75	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.249	C	C	.	.			trans	-92.1	12.6	178	-76.2	-99.3	0	0	0	112.7	E449 I452 L453 I462 I463 L516 I545 F550 A551	E449-F548 HydrophobicContact CG-CB 4.08Å; I452-F548 HydrophobicContact CG2-CD1 3.52Å; I452-F548 HydrophobicContact CG2-CE1 4.05Å; I452-F548 HydrophobicContact CG2-CG 4.26Å; L453-F548 HydrophobicContact CD2-CB 4.25Å; L453-F548 HydrophobicContact CD2-CD2 3.57Å; L453-F548 HydrophobicContact CD2-CE2 4.12Å; L453-F548 HydrophobicContact CD2-CG 3.97Å; L453-F548 HydrophobicContact CG-CB 4.29Å; L453-F548 HydrophobicContact CG-CD2 4.48Å; L453-F548 HydrophobicContact CG-CG 4.49Å; I462-F548 HydrophobicContact CB-CZ 4.48Å; I462-F548 HydrophobicContact CD1-CZ 4.17Å; I462-F548 HydrophobicContact CG1-CZ 4.14Å; I462-F548 HydrophobicContact CG2-CE2 3.63Å; I462-F548 HydrophobicContact CG2-CZ 3.66Å; I463-F548 HydrophobicContact CG2-CD2 4.49Å; L516-F548 HydrophobicContact CD1-CE1 3.76Å; L516-F548 HydrophobicContact CD1-CZ 4.01Å; L516-F548 HydrophobicContact CD2-CE1 4.05Å; I545-F548 HydrophobicContact CB-CE2 4.21Å; I545-F548 HydrophobicContact CB-CZ 4.34Å; I545-F548 HydrophobicContact CG2-CE2 3.82Å; I545-F548 HydrophobicContact CG2-CZ 3.96Å; I545-F548 WeakPolarHBondContact O-CE2 3.5Å; F548-F550 VanDerWaalsContact C-N 3.25Å; F548-F550 PolarHBondContact O-N 3.36Å; F548-A551 HydrophobicContact CB-CB 3.98Å; F548-A551 HydrophobicContact CD1-CB 3.6Å; F548-A551 HydrophobicContact CG-CB 4.23Å; F548-A551 VanDerWaalsContact O-CB 3.29Å; F548-A551 WeakPolarHBondContact O-CB 3.47Å; F548-A551 PolarHBondContact O-N 3.1Å
549	G	77.5	Confident	73.4	Confident	7 Å²	7	42.5 Å²	42.5	7%	0.072	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-47.5	-178.9	0	0	0	0	0	111.7	R444 E449 D547	R444-G549 PolarHBondContact NH2-O 2.91Å; E449-G549 VanDerWaalsContact CD-CA 3.47Å; E449-G549 VanDerWaalsContact CD-N 3.35Å; E449-G549 PolarHBondContact OE1-N 3.24Å; E449-G549 VanDerWaalsContact OE2-CA 3.24Å; E449-G549 WeakPolarHBondContact OE2-CA 2.99Å; D547-G549 VanDerWaalsContact C-N 3.29Å; D547-G549 PolarHBondContact OD1-N 3.5Å
550	F	75.6	Confident	70.9	Confident	66 Å²	66	43.9 Å²	43.9	29%	0.289	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-1.6	179.3	-65.7	-81	0	0	0	114.5	Y419 R444 H523 R524 D525 F548	Y419-F550 AromaticContact CE1-CE2 3.84Å; Y419-F550 HydrophobicContact CE1-CE2 3.84Å; Y419-F550 AromaticContact CE1-CZ 3.68Å; Y419-F550 HydrophobicContact CE1-CZ 3.68Å; Y419-F550 AromaticContact CZ-CE2 3.89Å; Y419-F550 WeakPolarHBondContact OH-CE2 3.27Å; R444-F550 VanDerWaalsContact NH1-CZ 3.3Å; R444-F550 VanDerWaalsContact NH2-CD1 3.33Å; H523-F550 CarbonylContact O-C 3.5Å; R524-F550 PolarHBondContact NE-O 3.09Å; R524-F550 PolarHBondContact NH2-O 3.26Å; D525-F550 HydrophobicContact CB-CB 3.88Å; D525-F550 HydrophobicContact CB-CD2 3.84Å; D525-F550 HydrophobicContact CB-CG 4.18Å; D525-F550 WeakPolarHBondContact OD2-CD2 3.34Å; F548-F550 VanDerWaalsContact C-N 3.25Å; F548-F550 PolarHBondContact O-N 3.36Å
551	A	74.5	Confident	68.5	Low	3 Å²	3	45.2 Å²	45.2	3%	0.025	28%	0.275	C	S	.	.			trans	-63.1	154.1	177.2	0	0	0	0	0	110.5	I452 V521 V522 H523 F548	I452-A551 HydrophobicContact CD1-CB 3.67Å; V521-A551 HydrophobicContact CG1-CB 4.4Å; V522-A551 CarbonylContact O-C 3.56Å; V522-A551 VanDerWaalsContact O-CA 3.27Å; V522-A551 WeakPolarHBondContact O-CA 3.41Å; H523-A551 WeakPolarHBondContact O-CA 3.04Å; H523-A551 PolarHBondContact O-N 2.98Å; F548-A551 HydrophobicContact CB-CB 3.98Å; F548-A551 HydrophobicContact CD1-CB 3.6Å; F548-A551 HydrophobicContact CG-CB 4.23Å; F548-A551 VanDerWaalsContact O-CB 3.29Å; F548-A551 WeakPolarHBondContact O-CB 3.47Å; F548-A551 PolarHBondContact O-N 3.1Å
552	K	71.1	Confident	66.5	Low	93 Å²	93	42.1 Å²	42.1	40%	0.404	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	132.9	179.1	-170.1	170.2	-176.5	-178.9	0	110.2	V521 V522 L554	V521-K552 WeakPolarHBondContact CA-O 3.43Å; V522-K552 PolarHBondContact N-O 3.2Å; V522-K552 PolarHBondContact O-N 3.41Å; K552-L554 HydrophobicContact CD-CD2 4.37Å; K552-L554 HydrophobicContact CG-CD2 4.34Å; K552-L554 PolarHBondContact O-N 3.08Å
553	Q	69	Low	63.8	Low	30 Å²	30	42.7 Å²	42.7	14%	0.14	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	108.8	165.8	-171.5	69	59.2	0	0	109.2	E448 Y456 Q519	E448-Q553 WeakPolarHBondContact OE1-CB 3.24Å; E448-Q553 PolarHBondContact OE1-N 3.48Å; E448-Q553 VanDerWaalsContact OE1-N 3.12Å; Y456-Q553 PolarHBondContact OH-OE1 2.96Å; Y456-Q553 VanDerWaalsContact OH-OE1 3.05Å; Q519-Q553 PolarHBondContact O-NE2 3.44Å
554	L	60.5	Low	60.9	Low	37 Å²	37	44.3 Å²	44.3	19%	0.194	27%	0.272	C	S	.	.			trans	-82.3	144.8	165.6	-50.3	-175	0	0	0	109.3	G520 V522 K552	G520-L554 VanDerWaalsContact O-CA 3.23Å; G520-L554 WeakPolarHBondContact O-CA 3.23Å; G520-L554 WeakPolarHBondContact O-CB 3.32Å; G520-L554 PolarHBondContact O-N 2.74Å; V522-L554 HydrophobicContact CB-CD1 4.19Å; V522-L554 HydrophobicContact CB-CG 4.44Å; V522-L554 HydrophobicContact CG2-CD1 3.3Å; V522-L554 HydrophobicContact CG2-CG 3.89Å; K552-L554 HydrophobicContact CD-CD2 4.37Å; K552-L554 HydrophobicContact CG-CD2 4.34Å; K552-L554 PolarHBondContact O-N 3.08Å
555	R	51.9	Low	58	Low	44 Å²	44	45.1 Å²	45.1	17%	0.166	28%	0.281	C	S	.	.			trans	-111.7	126.9	176.4	-67.9	-173.6	174.4	-156.8	-3.3	109.9	E149 D156	E149-R555 IonicContact OE1-NH2 2.91Å; E149-R555 PolarHBondContact OE1-NH2 2.92Å; E149-R555 IonicContact OE2-CZ 3.72Å; E149-R555 VanDerWaalsContact OE2-CZ 3.24Å; E149-R555 IonicContact OE2-NE 3.12Å; E149-R555 PolarHBondContact OE2-NE 3.39Å; E149-R555 VanDerWaalsContact OE2-NE 3.15Å; E149-R555 IonicContact OE2-NH2 2.62Å; E149-R555 PolarHBondContact OE2-NH2 3.15Å; D156-R555 IonicContact OD2-NH1 2.71Å
556	G	48.3	Very low	55	Low	57 Å²	57	50.4 Å²	50.4	59%	0.588	30%	0.302	S	S	*	.			trans	79.3	127.4	164.7	0	0	0	0	0	116.8	N558	G556-N558 PolarHBondContact O-N 3.36Å
557	G	38	Very low	52.3	Low	84 Å²	84	54.8 Å²	54.8	87%	0.866	33%	0.328	S	S	*	.	S	Bend	trans	-73.9	1.3	173.1	0	0	0	0	0	115.2
558	N	41.4	Very low	49.6	Very low	137 Å²	137	55.8 Å²	55.8	73%	0.733	34%	0.341	S	S	*	.	S	Bend	trans	-111.7	54.7	-174.9	-59.9	-5	0	0	0	111.3	G556 L560	G556-N558 PolarHBondContact O-N 3.36Å; N558-L560 PolarHBondContact O-N 3.01Å
559	G	41.3	Very low	46.8	Very low	46 Å²	46	62.5 Å²	62.5	47%	0.474	38%	0.376	S	S	.	.	S	Bend	trans	47.4	14.3	143.2	0	0	0	0	0	121.9
560	L	33.7	Very low	44.7	Very low	101 Å²	101	70.9 Å²	70.9	53%	0.529	41%	0.411	S	S	.	.			trans	-142.5	92.4	175.9	-78.5	172.6	0	0	0	109.8	N558 L562 L576	N558-L560 PolarHBondContact O-N 3.01Å; L560-L562 HydrophobicContact CB-CG 4.27Å; L560-L562 HydrophobicContact CD2-CD2 4.46Å; L560-L562 PolarHBondContact O-N 3.49Å; L560-L576 HydrophobicContact CD2-CD1 4.21Å
561	L	36.6	Very low	42.8	Very low	56 Å²	56	70.9 Å²	70.9	29%	0.293	42%	0.417	S	S	.	.			trans	-69.5	101.1	154.3	-79.1	162	0	0	0	106.7	M151 L576 Q579	M151-L561 HydrophobicContact CB-CD2 4.16Å; M151-L561 HydrophobicContact SD-CB 3.91Å; M151-L561 HydrophobicContact SD-CD2 4.25Å; L561-L576 HydrophobicContact CB-CD2 4.03Å; L561-Q579 HydrophobicContact CD1-CG 4.41Å
562	L	44.3	Very low	40.8	Very low	41 Å²	41	72.1 Å²	72.1	22%	0.215	43%	0.427	C	S	.	.			trans	-99.9	117.3	169.4	-69.1	173.5	0	0	0	109.3	F277 L560	F277-L562 HydrophobicContact CB-CD2 4.47Å; L560-L562 HydrophobicContact CB-CG 4.27Å; L560-L562 HydrophobicContact CD2-CD2 4.46Å; L560-L562 PolarHBondContact O-N 3.49Å
563	T	35.8	Very low	39	Very low	19 Å²	19	71.9 Å²	71.9	12%	0.117	44%	0.435	C	S	.	.			trans	92.7	84.3	157.1	-35.8	0	0	0	0	118.8	M151 L249 F277 C565	M151-T563 WeakPolarHBondContact CG-O 3.33Å; M151-T563 PolarHBondContact SD-N 2.89Å; M151-T563 VanDerWaalsContact SD-N 3.39Å; L249-T563 WeakPolarHBondContact O-CB 3.23Å; L249-T563 PolarHBondContact O-OG1 3.07Å; F277-T563 VanDerWaalsContact CE2-OG1 3.3Å; F277-T563 WeakPolarHBondContact CE2-OG1 3.43Å; F277-T563 HydrophobicContact CZ-CG2 4.42Å; T563-C565 PolarHBondContact O-N 3.11Å
564	P	31.7	Very low	37.6	Very low	35 Å²	35	75.6 Å²	75.6	23%	0.227	45%	0.452	C	S	.	.			trans	-60	130.1	155.6	20.7	-18.8	0	0	0	106.8	M151 Y566 V571	M151-P564 HydrophobicContact CE-CB 3.34Å; M151-P564 HydrophobicContact CE-CG 3.65Å; P564-Y566 PolarHBondContact O-N 2.87Å; P564-Y566 VanDerWaalsContact O-N 3.13Å; P564-V571 HydrophobicContact CG-CG2 3.81Å
565	C	33.3	Very low	36.4	Very low	42 Å²	42	77.2 Å²	77.2	28%	0.284	46%	0.463	S	S	.	.	S	Bend	trans	-46.7	124.7	156.6	-54.1	0	0	0	0	106.2	T563	T563-C565 PolarHBondContact O-N 3.11Å
566	Y	31.3	Very low	35.9	Very low	112 Å²	112	77.8 Å²	77.8	44%	0.439	47%	0.469	S	S	.	.	S	Bend	trans	96.3	96.4	-167.9	-50.7	-65	0	0	0	116.2	P564 S711 S712 L713	P564-Y566 PolarHBondContact O-N 2.87Å; P564-Y566 VanDerWaalsContact O-N 3.13Å; Y566-S711 VanDerWaalsContact OH-CA 3.23Å; Y566-S711 WeakPolarHBondContact OH-CA 3.49Å; Y566-S711 VanDerWaalsContact OH-CB 3.23Å; Y566-S711 WeakPolarHBondContact OH-CB 3.06Å; Y566-S712 VanDerWaalsContact CE1-OG 3.3Å; Y566-S712 WeakPolarHBondContact CE1-OG 3.21Å; Y566-S712 WeakPolarHBondContact OH-CA 3.41Å; Y566-S712 WeakPolarHBondContact OH-CB 3.41Å; Y566-S712 PolarHBondContact OH-N 2.88Å; Y566-S712 PolarHBondContact OH-OG 3.09Å; Y566-L713 PolarHBondContact OH-N 3.5Å
567	T	29.4	Very low	35.7	Very low	113 Å²	113	80.9 Å²	80.9	69%	0.693	47%	0.47	S	S	*	.			trans	46	84	150.5	-41.4	0	0	0	0	117.1	N569	T567-N569 PolarHBondContact O-N 3.15Å
568	A	30.7	Very low	36.3	Very low	49 Å²	49	82.6 Å²	82.6	41%	0.405	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	34.3	179.8	0	0	0	0	0	116.8
569	N	27.1	Very low	36.7	Very low	140 Å²	140	77.8 Å²	77.8	75%	0.749	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-0.4	172.5	-75.8	-10.4	0	0	0	113.7	T567	T567-N569 PolarHBondContact O-N 3.15Å
570	F	33.7	Very low	37.3	Very low	184 Å²	184	77.6 Å²	77.6	81%	0.807	42%	0.421	S	S	*	.			trans	-139	14.7	-174.8	-61.6	-76.2	0	0	0	114.8	A572	F570-A572 PolarHBondContact O-N 3.47Å; F570-A572 VanDerWaalsContact O-N 3.1Å
571	V	36.2	Very low	38.6	Very low	66 Å²	66	78.3 Å²	78.3	40%	0.4	42%	0.418	S	S	.	.			trans	-75	107.3	173.1	-179.4	0	0	0	0	108	P564 V575	P564-V571 HydrophobicContact CG-CG2 3.81Å; V571-V575 HydrophobicContact CG1-CB 3.92Å; V571-V575 HydrophobicContact CG1-CG1 4.11Å; V571-V575 HydrophobicContact CG1-CG2 4.2Å
572	A	32.1	Very low	40.2	Very low	29 Å²	29	76.8 Å²	76.8	24%	0.24	41%	0.41	C	S	.	.			trans	-76.9	143.9	-173	0	0	0	0	0	110.7	F570 E574 V575	F570-A572 PolarHBondContact O-N 3.47Å; F570-A572 VanDerWaalsContact O-N 3.1Å; A572-E574 VanDerWaalsContact C-OE2 3.25Å; A572-E574 HydrophobicContact CB-CG 4.16Å; A572-E574 WeakPolarHBondContact CB-OE1 3.43Å; A572-E574 WeakPolarHBondContact CB-OE2 3.45Å; A572-E574 PolarHBondContact O-N 3.27Å; A572-V575 WeakPolarHBondContact O-CB 3.34Å; A572-V575 WeakPolarHBondContact O-CG2 3.26Å; A572-V575 PolarHBondContact O-N 3Å
573	P	33.8	Very low	42	Very low	88 Å²	88	76 Å²	76	57%	0.571	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-28.3	-174.6	-26.5	33.4	0	0	0	114.6	V575 L576 M577	P573-V575 PolarHBondContact O-N 3.01Å; P573-L576 PolarHBondContact O-N 3.1Å; P573-M577 WeakPolarHBondContact O-CG 3.48Å; P573-M577 PolarHBondContact O-N 3.1Å; P573-M577 VanDerWaalsContact O-N 3.11Å
574	E	38.8	Very low	44.2	Very low	108 Å²	108	75.5 Å²	75.5	51%	0.505	41%	0.407	S	S	.	.	H	α-helix	trans	-62.1	-24.2	176.1	62.2	-92.1	-148.7	0	0	114.2	A572 L576 M577 R578	A572-E574 VanDerWaalsContact C-OE2 3.25Å; A572-E574 HydrophobicContact CB-CG 4.16Å; A572-E574 WeakPolarHBondContact CB-OE1 3.43Å; A572-E574 WeakPolarHBondContact CB-OE2 3.45Å; A572-E574 PolarHBondContact O-N 3.27Å; E574-L576 VanDerWaalsContact C-N 3.31Å; E574-M577 PolarHBondContact O-N 3.44Å; E574-R578 WeakPolarHBondContact O-CB 3.32Å; E574-R578 WeakPolarHBondContact O-CG 3.46Å; E574-R578 PolarHBondContact O-N 2.69Å
575	V	36.1	Very low	46.6	Very low	70 Å²	70	75.5 Å²	75.5	42%	0.424	41%	0.407	S	S	.	.	H	α-helix	trans	-69.7	-32.7	177.4	179.8	0	0	0	0	110.9	V571 A572 P573	V571-V575 HydrophobicContact CG1-CB 3.92Å; V571-V575 HydrophobicContact CG1-CG1 4.11Å; V571-V575 HydrophobicContact CG1-CG2 4.2Å; A572-V575 WeakPolarHBondContact O-CB 3.34Å; A572-V575 WeakPolarHBondContact O-CG2 3.26Å; A572-V575 PolarHBondContact O-N 3Å; P573-V575 PolarHBondContact O-N 3.01Å
576	L	39.7	Very low	49.1	Very low	57 Å²	57	73.5 Å²	73.5	30%	0.298	39%	0.394	S	S	.	.	H	α-helix	trans	-81.2	-36.8	173.5	-66.7	169.6	0	0	0	111.4	L560 L561 P573 E574 R578	L560-L576 HydrophobicContact CD2-CD1 4.21Å; L561-L576 HydrophobicContact CB-CD2 4.03Å; P573-L576 PolarHBondContact O-N 3.1Å; E574-L576 VanDerWaalsContact C-N 3.31Å; L576-R578 PolarHBondContact O-N 3.29Å
577	M	45.1	Very low	52	Low	122 Å²	122	68.2 Å²	68.2	60%	0.601	37%	0.374	S	S	*	.	H	α-helix	trans	-66.3	-20.7	174.7	-64.8	175.5	168.7	0	0	113.2	P573 E574 Q579	P573-M577 WeakPolarHBondContact O-CG 3.48Å; P573-M577 PolarHBondContact O-N 3.1Å; P573-M577 VanDerWaalsContact O-N 3.11Å; E574-M577 PolarHBondContact O-N 3.44Å; M577-Q579 VanDerWaalsContact C-N 3.32Å; M577-Q579 PolarHBondContact O-N 2.71Å
578	R	50.3	Low	54.8	Low	120 Å²	120	63.6 Å²	63.6	45%	0.453	34%	0.343	S	S	.	.	H	α-helix	trans	-68.3	-19.4	-178.5	-95	-177.5	177	-157	1.6	115.7	E574 L576 Y581 D582	E574-R578 WeakPolarHBondContact O-CB 3.32Å; E574-R578 WeakPolarHBondContact O-CG 3.46Å; E574-R578 PolarHBondContact O-N 2.69Å; L576-R578 PolarHBondContact O-N 3.29Å; R578-Y581 WeakPolarHBondContact O-CB 3.45Å; R578-Y581 PolarHBondContact O-N 3.16Å; R578-D582 WeakPolarHBondContact O-CB 3.33Å; R578-D582 PolarHBondContact O-N 2.91Å
579	Q	50.3	Low	57.5	Low	35 Å²	35	61.9 Å²	61.9	16%	0.164	33%	0.328	C	S	.	.	H	α-helix	trans	-66	-50.8	-177.1	-65.8	178.3	-0.1	0	0	112.6	L561 M577 Y581	L561-Q579 HydrophobicContact CD1-CG 4.41Å; M577-Q579 VanDerWaalsContact C-N 3.32Å; M577-Q579 PolarHBondContact O-N 2.71Å; Q579-Y581 VanDerWaalsContact C-N 3.27Å
580	G	53	Low	60.6	Low	42 Å²	42	55.3 Å²	55.3	43%	0.433	29%	0.293	S	S	.	.	H	α-helix	trans	-69	-29.9	173	0	0	0	0	0	112.1	A584	G580-A584 WeakPolarHBondContact O-CB 3.3Å; G580-A584 PolarHBondContact O-N 3.47Å
581	Y	61.7	Low	63.4	Low	116 Å²	116	46.5 Å²	46.5	46%	0.455	26%	0.255	S	S	.	.	H	α-helix	trans	-62.8	-48.3	175.2	-171.9	-91.8	0	0	0	112.3	R578 Q579 A584 C585 P650	R578-Y581 WeakPolarHBondContact O-CB 3.45Å; R578-Y581 PolarHBondContact O-N 3.16Å; Q579-Y581 VanDerWaalsContact C-N 3.27Å; Y581-A584 CarbonylContact O-C 3.49Å; Y581-A584 PolarHBondContact O-N 2.78Å; Y581-C585 WeakPolarHBondContact CE1-SG 3.47Å; Y581-C585 PolarHBondContact O-N 3.39Å; Y581-C585 PolarHBondContact O-SG 3.2Å; Y581-P650 HydrophobicContact CD2-CB 4.22Å; Y581-P650 HydrophobicContact CD2-CG 3.63Å; Y581-P650 HydrophobicContact CE2-CG 3.86Å
582	D	70.9	Confident	65.9	Low	25 Å²	25	43.4 Å²	43.4	13%	0.134	24%	0.236	C	C	.	.	H	α-helix	trans	-64	-45	-177	-77.3	-3.3	0	0	0	110.7	V522 R524 R578 A584 C585 D586	V522-D582 VanDerWaalsContact CG1-C 3.45Å; V522-D582 HydrophobicContact CG1-CB 3.97Å; V522-D582 VanDerWaalsContact CG1-O 3.28Å; V522-D582 WeakPolarHBondContact CG1-O 3.42Å; R524-D582 WeakPolarHBondContact CD-OD2 3.41Å; R524-D582 HydrophobicContact CG-CB 4.29Å; R524-D582 IonicContact NH1-OD2 3.56Å; R578-D582 WeakPolarHBondContact O-CB 3.33Å; R578-D582 PolarHBondContact O-N 2.91Å; D582-A584 VanDerWaalsContact C-N 3.33Å; D582-A584 PolarHBondContact O-N 2.51Å; D582-C585 VanDerWaalsContact O-CB 3.29Å; D582-C585 WeakPolarHBondContact O-CB 3.18Å; D582-C585 PolarHBondContact O-N 3.24Å; D582-C585 VanDerWaalsContact O-N 3.13Å; D582-D586 PolarHBondContact O-N 3.11Å
583	A	80.3	Confident	68.6	Low	24 Å²	24	42.2 Å²	42.2	20%	0.198	23%	0.225	C	C	.	.	H	α-helix	trans	-64.3	-39.4	175.3	0	0	0	0	0	111.6	H517 V522 C585 D586 I587	H517-A583 PolarHBondContact CE1-O 3.12Å; V522-A583 HydrophobicContact CG2-CB 4.08Å; A583-C585 VanDerWaalsContact C-N 3.26Å; A583-C585 PolarHBondContact O-N 3.2Å; A583-D586 WeakPolarHBondContact O-CB 3.38Å; A583-D586 PolarHBondContact O-N 3.42Å; A583-I587 PolarHBondContact O-N 2.95Å
584	A	82.6	Confident	71.4	Confident	9 Å²	9	38 Å²	38	7%	0.074	20%	0.198	C	C	.	.	H	α-helix	trans	-67	-24.6	174.2	0	0	0	0	0	112.7	G580 Y581 D582 I587 W588 P650 R653	G580-A584 WeakPolarHBondContact O-CB 3.3Å; G580-A584 PolarHBondContact O-N 3.47Å; Y581-A584 CarbonylContact O-C 3.49Å; Y581-A584 PolarHBondContact O-N 2.78Å; D582-A584 VanDerWaalsContact C-N 3.33Å; D582-A584 PolarHBondContact O-N 2.51Å; A584-I587 PolarHBondContact O-N 3.1Å; A584-W588 PolarHBondContact O-N 3.41Å; A584-P650 HydrophobicContact CB-CB 3.84Å; A584-R653 VanDerWaalsContact C-NH1 3.28Å; A584-R653 VanDerWaalsContact O-CD 3.26Å; A584-R653 WeakPolarHBondContact O-CD 3.46Å; A584-R653 PolarHBondContact O-NH1 3.22Å
585	C	81.9	Confident	73.8	Confident	34 Å²	34	33 Å²	33	23%	0.23	17%	0.174	C	C	.	.	H	α-helix	trans	-67.5	-37.7	172.7	-72.2	0	0	0	0	112	Y581 D582 A583 I587 W588 S589	Y581-C585 WeakPolarHBondContact CE1-SG 3.47Å; Y581-C585 PolarHBondContact O-N 3.39Å; Y581-C585 PolarHBondContact O-SG 3.2Å; D582-C585 VanDerWaalsContact O-CB 3.29Å; D582-C585 WeakPolarHBondContact O-CB 3.18Å; D582-C585 PolarHBondContact O-N 3.24Å; D582-C585 VanDerWaalsContact O-N 3.13Å; A583-C585 VanDerWaalsContact C-N 3.26Å; A583-C585 PolarHBondContact O-N 3.2Å; C585-I587 VanDerWaalsContact C-N 3.33Å; C585-W588 PolarHBondContact O-N 3.25Å; C585-S589 PolarHBondContact O-N 2.86Å; C585-S589 PolarHBondContact O-OG 3.26Å
586	D	86.6	Confident	76.3	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-60.9	-45.7	173.1	-75.5	-10.4	0	0	0	109.9	V513 H517 V522 H523 R524 L526 D582 A583 W588 S589 L590	V513-D586 HydrophobicContact CG1-CB 4.17Å; H517-D586 IonicContact CD2-OD2 3.42Å; H517-D586 IonicContact CE1-OD2 2.86Å; H517-D586 IonicContact NE2-OD2 3.58Å; H517-D586 PolarHBondContact NE2-OD2 3.13Å; V522-D586 VanDerWaalsContact CG1-OD2 3.24Å; V522-D586 WeakPolarHBondContact CG1-OD2 3.31Å; H523-D586 PolarHBondContact N-OD2 2.98Å; R524-D586 PolarHBondContact N-OD1 2.97Å; L526-D586 HydrophobicContact CD1-CB 3.6Å; D582-D586 PolarHBondContact O-N 3.11Å; A583-D586 WeakPolarHBondContact O-CB 3.38Å; A583-D586 PolarHBondContact O-N 3.42Å; D586-W588 PolarHBondContact O-N 2.95Å; D586-S589 WeakPolarHBondContact O-CB 3.44Å; D586-S589 PolarHBondContact O-N 3.27Å; D586-L590 WeakPolarHBondContact O-CG 3.41Å; D586-L590 PolarHBondContact O-N 3.25Å
587	I	92.2	Very high	78.6	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-64.7	-40.3	178.2	-54.8	-57.6	0	0	0	112.5	A583 A584 C585 S589 L590 G591 M645 R653 Y654 A656 V659	A583-I587 PolarHBondContact O-N 2.95Å; A584-I587 PolarHBondContact O-N 3.1Å; C585-I587 VanDerWaalsContact C-N 3.33Å; I587-S589 VanDerWaalsContact C-N 3.29Å; I587-S589 PolarHBondContact O-N 3.47Å; I587-L590 HydrophobicContact CD1-CD1 4.31Å; I587-L590 PolarHBondContact O-N 3.1Å; I587-G591 PolarHBondContact O-N 3.03Å; I587-M645 HydrophobicContact CG2-CB 4.2Å; I587-M645 HydrophobicContact CG2-CE 4.21Å; I587-M645 HydrophobicContact CG2-CG 4.12Å; I587-R653 HydrophobicContact CB-CG 4.48Å; I587-R653 HydrophobicContact CG2-CG 4.12Å; I587-Y654 WeakPolarHBondContact CG1-O 3.19Å; I587-Y654 WeakPolarHBondContact CG2-O 3.28Å; I587-A656 HydrophobicContact CD1-CB 3.86Å; I587-V659 HydrophobicContact CG2-CG2 4.3Å
588	W	87.7	Confident	80.7	Confident	16 Å²	16	21.1 Å²	21.1	6%	0.061	11%	0.111	C	C	.	.	H	α-helix	trans	-57.6	-45.5	173.2	178.4	-83.9	0	0	0	111.3	A584 C585 D586 L590 G591 V592 F604 I619 L646	A584-W588 PolarHBondContact O-N 3.41Å; C585-W588 PolarHBondContact O-N 3.25Å; D586-W588 PolarHBondContact O-N 2.95Å; W588-L590 VanDerWaalsContact C-N 3.32Å; W588-L590 PolarHBondContact O-N 3.45Å; W588-G591 WeakPolarHBondContact O-CA 3.43Å; W588-G591 PolarHBondContact O-N 3.24Å; W588-V592 WeakPolarHBondContact O-CG2 3.45Å; W588-V592 PolarHBondContact O-N 3.1Å; W588-F604 HydrophobicContact CH2-CE2 4.06Å; W588-F604 AromaticContact CH2-CZ 3.8Å; W588-F604 HydrophobicContact CH2-CZ 3.8Å; W588-F604 HydrophobicContact CZ2-CD2 4.22Å; W588-F604 AromaticContact CZ2-CE2 3.37Å; W588-F604 HydrophobicContact CZ2-CE2 3.37Å; W588-F604 AromaticContact CZ2-CZ 3.61Å; W588-F604 HydrophobicContact CZ2-CZ 3.61Å; W588-I619 HydrophobicContact CH2-CG2 3.96Å; W588-I619 HydrophobicContact CZ2-CB 4.47Å; W588-I619 HydrophobicContact CZ2-CG1 4.28Å; W588-I619 HydrophobicContact CZ2-CG2 3.67Å; W588-L646 HydrophobicContact CD2-CD2 3.97Å; W588-L646 HydrophobicContact CE3-CD2 4.13Å; W588-L646 HydrophobicContact CG-CD2 4.4Å; W588-L646 HydrophobicContact CZ2-CD2 4.42Å; W588-L646 HydrophobicContact CZ3-CB 4.41Å; W588-L646 HydrophobicContact CZ3-CD2 4.45Å; W588-L646 VanDerWaalsContact CZ3-O 3.24Å; W588-L646 WeakPolarHBondContact CZ3-O 3.44Å
589	S	87.7	Confident	82.4	Confident	13 Å²	13	15.5 Å²	15.5	9%	0.091	9%	0.091	C	C	.	.	H	α-helix	trans	-62.6	-40	179.4	-55.1	0	0	0	0	111.9	L526 C585 D586 I587 G591 V592 L593 Y693	L526-S589 WeakPolarHBondContact O-CB 3.11Å; C585-S589 PolarHBondContact O-N 2.86Å; C585-S589 PolarHBondContact O-OG 3.26Å; D586-S589 WeakPolarHBondContact O-CB 3.44Å; D586-S589 PolarHBondContact O-N 3.27Å; I587-S589 VanDerWaalsContact C-N 3.29Å; I587-S589 PolarHBondContact O-N 3.47Å; S589-G591 VanDerWaalsContact C-N 3.33Å; S589-G591 PolarHBondContact O-N 3.47Å; S589-V592 PolarHBondContact O-N 3.05Å; S589-L593 WeakPolarHBondContact O-CB 3.2Å; S589-L593 PolarHBondContact O-N 3.37Å; S589-Y693 PolarHBondContact O-OH 3.16Å
590	L	92	Very high	83.9	Confident	1 Å²	1	14 Å²	14	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-64.3	-35.8	171.7	-63.6	-178.7	0	0	0	112.5	L506 I509 T510 V513 L526 D586 I587 W588 L593 L594 M645	L506-L590 HydrophobicContact CD1-CB 4.18Å; I509-L590 HydrophobicContact CB-CD2 4.31Å; I509-L590 HydrophobicContact CG2-CD2 3.4Å; T510-L590 HydrophobicContact CG2-CD1 4.45Å; V513-L590 HydrophobicContact CB-CD1 4.44Å; V513-L590 HydrophobicContact CG2-CD1 4.24Å; L526-L590 HydrophobicContact CD1-CD2 4.31Å; L526-L590 HydrophobicContact CD1-CG 4.39Å; D586-L590 WeakPolarHBondContact O-CG 3.41Å; D586-L590 PolarHBondContact O-N 3.25Å; I587-L590 HydrophobicContact CD1-CD1 4.31Å; I587-L590 PolarHBondContact O-N 3.1Å; W588-L590 VanDerWaalsContact C-N 3.32Å; W588-L590 PolarHBondContact O-N 3.45Å; L590-L593 PolarHBondContact O-N 2.89Å; L590-L594 WeakPolarHBondContact O-CB 3.34Å; L590-L594 PolarHBondContact O-N 2.86Å; L590-M645 HydrophobicContact CB-CE 3.46Å; L590-M645 VanDerWaalsContact CB-CE 3.46Å
591	G	91.7	Very high	85.3	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-64.9	-43.9	173.8	0	0	0	0	0	112.2	I587 W588 S589 L593 L594 Y595 L642	I587-G591 PolarHBondContact O-N 3.03Å; W588-G591 WeakPolarHBondContact O-CA 3.43Å; W588-G591 PolarHBondContact O-N 3.24Å; S589-G591 VanDerWaalsContact C-N 3.33Å; S589-G591 PolarHBondContact O-N 3.47Å; G591-L593 VanDerWaalsContact C-N 3.31Å; G591-L593 PolarHBondContact O-N 3.17Å; G591-L594 PolarHBondContact O-N 3.49Å; G591-Y595 WeakPolarHBondContact O-CB 3.44Å; G591-Y595 PolarHBondContact O-N 3.46Å; G591-L642 WeakPolarHBondContact O-CD1 3.18Å
592	V	88.4	Confident	86.3	Confident	1 Å²	1	10.1 Å²	10.1	1%	0.006	6%	0.057	C	C	.	.	H	α-helix	trans	-62.9	-40.3	175.3	173.1	0	0	0	0	110.7	W588 S589 T596 P603 F604 L646 M689	W588-V592 WeakPolarHBondContact O-CG2 3.45Å; W588-V592 PolarHBondContact O-N 3.1Å; S589-V592 PolarHBondContact O-N 3.05Å; V592-T596 WeakPolarHBondContact O-CB 3.47Å; V592-T596 PolarHBondContact O-N 3.32Å; V592-T596 PolarHBondContact O-OG1 3.02Å; V592-P603 HydrophobicContact CB-CG 4.47Å; V592-P603 HydrophobicContact CG1-CG 4.19Å; V592-P603 HydrophobicContact CG2-CG 4.2Å; V592-F604 HydrophobicContact CG2-CD2 4.46Å; V592-F604 HydrophobicContact CG2-CE2 4.14Å; V592-L646 HydrophobicContact CG2-CD2 3.84Å; V592-M689 HydrophobicContact CG1-CE 3.84Å
593	L	89.1	Confident	86.9	Confident	3 Å²	3	9.7 Å²	9.7	2%	0.016	6%	0.056	C	C	.	.	H	α-helix	trans	-62.2	-49	173.3	176.7	62.6	0	0	0	111.6	L487 I509 P528 I531 S589 L590 G591 Y595 T596 M597	L487-L593 HydrophobicContact CD2-CD1 4.19Å; L487-L593 HydrophobicContact CD2-CD2 3.96Å; I509-L593 HydrophobicContact CD1-CD2 3.7Å; P528-L593 HydrophobicContact CG-CD1 4.24Å; I531-L593 HydrophobicContact CD1-CD2 4.09Å; S589-L593 WeakPolarHBondContact O-CB 3.2Å; S589-L593 PolarHBondContact O-N 3.37Å; L590-L593 PolarHBondContact O-N 2.89Å; G591-L593 VanDerWaalsContact C-N 3.31Å; G591-L593 PolarHBondContact O-N 3.17Å; L593-Y595 PolarHBondContact O-N 3.11Å; L593-T596 PolarHBondContact O-N 3.33Å; L593-T596 VanDerWaalsContact O-N 3.17Å; L593-M597 HydrophobicContact CD1-CG 4.21Å; L593-M597 HydrophobicContact CG-CE 4.25Å; L593-M597 HydrophobicContact CG-CG 4.48Å; L593-M597 HydrophobicContact CG-SD 4.45Å; L593-M597 WeakPolarHBondContact O-CG 3.09Å; L593-M597 PolarHBondContact O-N 3.45Å
594	L	92.3	Very high	86.9	Confident	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-58.3	-48.4	177.7	176.6	60.3	0	0	0	111.6	L506 L590 G591 T596 M597 L598 L641 L642 M645 W664	L506-L594 HydrophobicContact CD2-CB 4.23Å; L506-L594 HydrophobicContact CD2-CD1 4.03Å; L506-L594 HydrophobicContact CD2-CD2 3.73Å; L506-L594 HydrophobicContact CD2-CG 4.19Å; L590-L594 WeakPolarHBondContact O-CB 3.34Å; L590-L594 PolarHBondContact O-N 2.86Å; G591-L594 PolarHBondContact O-N 3.49Å; L594-T596 VanDerWaalsContact C-N 3.26Å; L594-T596 PolarHBondContact O-N 3Å; L594-M597 HydrophobicContact CD1-CE 4.18Å; L594-M597 PolarHBondContact O-N 2.87Å; L594-L598 HydrophobicContact CD1-CD1 3.77Å; L594-L598 HydrophobicContact CD1-CG 4Å; L594-L598 HydrophobicContact CG-CD1 4.04Å; L594-L598 WeakPolarHBondContact O-CG 3.35Å; L594-L598 PolarHBondContact O-N 3.41Å; L594-L641 HydrophobicContact CD2-CD2 4.34Å; L594-L642 HydrophobicContact CB-CD1 4.14Å; L594-L642 HydrophobicContact CD2-CB 4.38Å; L594-L642 HydrophobicContact CD2-CD1 3.97Å; L594-L642 HydrophobicContact CG-CD1 4.13Å; L594-M645 HydrophobicContact CD2-SD 4.2Å; L594-W664 HydrophobicContact CD1-CH2 3.49Å; L594-W664 VanDerWaalsContact CD1-CH2 3.49Å; L594-W664 HydrophobicContact CD1-CZ2 4.38Å; L594-W664 HydrophobicContact CD1-CZ3 3.8Å; L594-W664 HydrophobicContact CD2-CZ3 4.39Å
595	Y	90.9	Very high	86.7	Confident	2 Å²	2	8.5 Å²	8.5	1%	0.008	5%	0.045	C	C	.	.	H	α-helix	trans	-53.1	-48.7	175.4	-172.8	-76.8	0	0	0	110.6	G591 L593 M597 L598 A599 Y601 P603 F624 S625 L626 W631 L642	G591-Y595 WeakPolarHBondContact O-CB 3.44Å; G591-Y595 PolarHBondContact O-N 3.46Å; L593-Y595 PolarHBondContact O-N 3.11Å; Y595-M597 VanDerWaalsContact C-N 3.34Å; Y595-M597 PolarHBondContact O-N 3.45Å; Y595-L598 PolarHBondContact O-N 3.29Å; Y595-A599 HydrophobicContact CD1-CB 3.8Å; Y595-A599 HydrophobicContact CE1-CB 3.48Å; Y595-A599 VanDerWaalsContact CE1-CB 3.48Å; Y595-A599 WeakPolarHBondContact O-CB 3.43Å; Y595-A599 PolarHBondContact O-N 2.98Å; Y595-Y601 VanDerWaalsContact CD1-O 3.27Å; Y595-Y601 WeakPolarHBondContact CD1-O 3.3Å; Y595-Y601 AromaticContact CE1-CD2 3.86Å; Y595-Y601 HydrophobicContact CE1-CD2 3.86Å; Y595-Y601 AromaticContact CE1-CE2 3.55Å; Y595-Y601 HydrophobicContact CE1-CE2 3.55Å; Y595-Y601 WeakPolarHBondContact CE1-O 3.23Å; Y595-Y601 AromaticContact CZ-CE2 3.79Å; Y595-Y601 WeakPolarHBondContact OH-CE2 2.94Å; Y595-Y601 PolarHBondContact OH-OH 2.65Å; Y595-Y601 VanDerWaalsContact OH-OH 3.08Å; Y595-P603 HydrophobicContact CD1-CB 3.72Å; Y595-P603 VanDerWaalsContact CD1-CD 3.45Å; Y595-P603 HydrophobicContact CD1-CG 3.98Å; Y595-P603 HydrophobicContact CD2-CB 3.74Å; Y595-P603 HydrophobicContact CD2-CG 4.4Å; Y595-P603 HydrophobicContact CE1-CB 3.94Å; Y595-P603 HydrophobicContact CE2-CB 3.99Å; Y595-P603 HydrophobicContact CG-CB 3.64Å; Y595-P603 HydrophobicContact CG-CG 3.88Å; Y595-F624 HydrophobicContact CD2-CD2 4.01Å; Y595-F624 HydrophobicContact CD2-CE2 4.4Å; Y595-F624 AromaticContact CE2-CD2 3.72Å; Y595-F624 HydrophobicContact CE2-CD2 3.72Å; Y595-F624 HydrophobicContact CE2-CE2 4.44Å; Y595-S625 WeakPolarHBondContact CE2-O 3.44Å; Y595-S625 PolarHBondContact OH-O 3.16Å; Y595-L626 HydrophobicContact CE2-CD2 4.33Å; Y595-W631 HydrophobicContact CD1-CZ2 4.26Å; Y595-W631 HydrophobicContact CD2-CH2 4.04Å; Y595-W631 AromaticContact CD2-CZ2 3.44Å; Y595-W631 HydrophobicContact CD2-CZ2 3.44Å; Y595-W631 VanDerWaalsContact CD2-CZ2 3.44Å; Y595-W631 HydrophobicContact CE1-CZ2 4.19Å; Y595-W631 AromaticContact CE2-CE2 3.77Å; Y595-W631 HydrophobicContact CE2-CH2 4.23Å; Y595-W631 AromaticContact CE2-CZ2 3.3Å; Y595-W631 HydrophobicContact CE2-CZ2 3.3Å; Y595-W631 AromaticContact CE2-NE1 3.89Å; Y595-W631 AromaticContact CG-CZ2 3.9Å; Y595-W631 HydrophobicContact CG-CZ2 3.9Å; Y595-W631 AromaticContact CZ-CE2 3.89Å; Y595-W631 AromaticContact CZ-CZ2 3.72Å; Y595-W631 AromaticContact CZ-NE1 3.56Å; Y595-W631 PolarHBondContact OH-NE1 3.35Å; Y595-L642 HydrophobicContact CD2-CD2 3.54Å; Y595-L642 HydrophobicContact CE2-CD2 4.41Å; Y595-L642 HydrophobicContact CG-CD2 4.27Å
596	T	87.4	Confident	86.2	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-67.7	-35.5	-176.8	-51	0	0	0	0	112.2	L488 V592 L593 L594 G600 Y601 T602 V685 M689	L488-T596 HydrophobicContact CD1-CG2 3.98Å; L488-T596 HydrophobicContact CD2-CG2 4.21Å; V592-T596 WeakPolarHBondContact O-CB 3.47Å; V592-T596 PolarHBondContact O-N 3.32Å; V592-T596 PolarHBondContact O-OG1 3.02Å; L593-T596 PolarHBondContact O-N 3.33Å; L593-T596 VanDerWaalsContact O-N 3.17Å; L594-T596 VanDerWaalsContact C-N 3.26Å; L594-T596 PolarHBondContact O-N 3Å; T596-G600 WeakPolarHBondContact O-CA 3.27Å; T596-G600 PolarHBondContact O-N 2.79Å; T596-Y601 WeakPolarHBondContact CA-O 3.31Å; T596-T602 HydrophobicContact CG2-CG2 4.36Å; T596-V685 HydrophobicContact CG2-CG1 3.56Å; T596-M689 HydrophobicContact CG2-CE 4.13Å; T596-M689 HydrophobicContact CG2-SD 4.06Å; T596-M689 VanDerWaalsContact OG1-CE 3.25Å; T596-M689 WeakPolarHBondContact OG1-CE 3.27Å
597	M	88.3	Confident	85.6	Confident	0 Å²	0	14 Å²	14	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-64.1	-39	175.1	-74.5	-166.6	-60.1	0	0	112.4	I491 F497 V505 L506 L593 L594 Y595 R678	I491-M597 HydrophobicContact CD1-CG 4.06Å; I491-M597 HydrophobicContact CD1-SD 3.59Å; I491-M597 VanDerWaalsContact CD1-SD 3.59Å; I491-M597 HydrophobicContact CG2-CG 4.45Å; F497-M597 HydrophobicContact CE1-CB 4.04Å; F497-M597 HydrophobicContact CZ-SD 4.25Å; V505-M597 HydrophobicContact CB-SD 4.18Å; V505-M597 HydrophobicContact CG1-CE 4.22Å; V505-M597 HydrophobicContact CG1-SD 3.69Å; L506-M597 HydrophobicContact CB-CE 4.37Å; L593-M597 HydrophobicContact CD1-CG 4.21Å; L593-M597 HydrophobicContact CG-CE 4.25Å; L593-M597 HydrophobicContact CG-CG 4.48Å; L593-M597 HydrophobicContact CG-SD 4.45Å; L593-M597 WeakPolarHBondContact O-CG 3.09Å; L593-M597 PolarHBondContact O-N 3.45Å; L594-M597 HydrophobicContact CD1-CE 4.18Å; L594-M597 PolarHBondContact O-N 2.87Å; Y595-M597 VanDerWaalsContact C-N 3.34Å; Y595-M597 PolarHBondContact O-N 3.45Å; M597-R678 PolarHBondContact O-NH2 2.78Å
598	L	89.2	Confident	84.6	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-83.4	-46.8	-178.1	-65.1	177.4	0	0	0	113	E499 A502 L594 Y595 N630 W631 V634 W664 L676	E499-L598 HydrophobicContact CG-CD2 3.89Å; A502-L598 HydrophobicContact CB-CD2 3.81Å; L594-L598 HydrophobicContact CD1-CD1 3.77Å; L594-L598 HydrophobicContact CD1-CG 4Å; L594-L598 HydrophobicContact CG-CD1 4.04Å; L594-L598 WeakPolarHBondContact O-CG 3.35Å; L594-L598 PolarHBondContact O-N 3.41Å; Y595-L598 PolarHBondContact O-N 3.29Å; L598-N630 WeakPolarHBondContact O-CB 3Å; L598-N630 PolarHBondContact O-ND2 3.48Å; L598-W631 HydrophobicContact CB-CH2 4Å; L598-W631 HydrophobicContact CB-CZ2 4.44Å; L598-W631 HydrophobicContact CB-CZ3 4.46Å; L598-W631 HydrophobicContact CD1-CH2 4.04Å; L598-W631 HydrophobicContact CD1-CZ3 4.17Å; L598-V634 HydrophobicContact CD1-CG1 4.25Å; L598-W664 HydrophobicContact CD2-CZ2 4.42Å; L598-L676 HydrophobicContact CD2-CD1 4.01Å
599	A	86.5	Confident	84.2	Confident	3 Å²	3	23.2 Å²	23.2	3%	0.025	13%	0.129	C	C	.	.	H	α-helix	trans	-81.8	-29.5	-175.1	0	0	0	0	0	113.1	Y595 Y601 W631	Y595-A599 HydrophobicContact CD1-CB 3.8Å; Y595-A599 HydrophobicContact CE1-CB 3.48Å; Y595-A599 VanDerWaalsContact CE1-CB 3.48Å; Y595-A599 WeakPolarHBondContact O-CB 3.43Å; Y595-A599 PolarHBondContact O-N 2.98Å; A599-Y601 HydrophobicContact CB-CD1 3.86Å; A599-Y601 HydrophobicContact CB-CD2 4.48Å; A599-Y601 HydrophobicContact CB-CE1 3.62Å; A599-Y601 HydrophobicContact CB-CE2 4.27Å; A599-Y601 HydrophobicContact CB-CG 4.28Å; A599-Y601 VanDerWaalsContact O-CD1 3.23Å; A599-Y601 WeakPolarHBondContact O-CD1 3.3Å; A599-Y601 WeakPolarHBondContact O-CE1 3.47Å; A599-Y601 PolarHBondContact O-N 3.35Å; A599-W631 HydrophobicContact CB-CZ2 3.79Å
600	G	80.9	Confident	83.7	Confident	2 Å²	2	24 Å²	24	2%	0.021	13%	0.132	C	C	.	.	S	Bend	trans	77.4	6.5	-171.2	0	0	0	0	0	114.3	T596 V685	T596-G600 WeakPolarHBondContact O-CA 3.27Å; T596-G600 PolarHBondContact O-N 2.79Å; G600-V685 WeakPolarHBondContact O-CG2 3.27Å
601	Y	82.2	Confident	83	Confident	72 Å²	72	26.6 Å²	26.6	28%	0.282	15%	0.148	S	C	.	.	S	Bend	trans	-145.5	166.6	173.7	60.2	-90.9	0	0	0	109.6	Y595 T596 A599 W631	Y595-Y601 VanDerWaalsContact CD1-O 3.27Å; Y595-Y601 WeakPolarHBondContact CD1-O 3.3Å; Y595-Y601 AromaticContact CE1-CD2 3.86Å; Y595-Y601 HydrophobicContact CE1-CD2 3.86Å; Y595-Y601 AromaticContact CE1-CE2 3.55Å; Y595-Y601 HydrophobicContact CE1-CE2 3.55Å; Y595-Y601 WeakPolarHBondContact CE1-O 3.23Å; Y595-Y601 AromaticContact CZ-CE2 3.79Å; Y595-Y601 WeakPolarHBondContact OH-CE2 2.94Å; Y595-Y601 PolarHBondContact OH-OH 2.65Å; Y595-Y601 VanDerWaalsContact OH-OH 3.08Å; T596-Y601 WeakPolarHBondContact CA-O 3.31Å; A599-Y601 HydrophobicContact CB-CD1 3.86Å; A599-Y601 HydrophobicContact CB-CD2 4.48Å; A599-Y601 HydrophobicContact CB-CE1 3.62Å; A599-Y601 HydrophobicContact CB-CE2 4.27Å; A599-Y601 HydrophobicContact CB-CG 4.28Å; A599-Y601 VanDerWaalsContact O-CD1 3.23Å; A599-Y601 WeakPolarHBondContact O-CD1 3.3Å; A599-Y601 WeakPolarHBondContact O-CE1 3.47Å; A599-Y601 PolarHBondContact O-N 3.35Å; Y601-W631 PolarHBondContact OH-NE1 2.93Å
602	T	82.8	Confident	82.1	Confident	6 Å²	6	28 Å²	28	4%	0.037	16%	0.158	C	C	.	.			trans	-84.2	148.4	-176.5	51.4	0	0	0	0	112.7	T596 F604 A605 V685 A688 M689	T596-T602 HydrophobicContact CG2-CG2 4.36Å; T602-F604 PolarHBondContact O-N 2.68Å; T602-A605 PolarHBondContact OG1-O 2.84Å; T602-V685 HydrophobicContact CG2-CG1 4.42Å; T602-A688 HydrophobicContact CG2-CB 4.31Å; T602-A688 WeakPolarHBondContact OG1-CB 3.3Å; T602-M689 HydrophobicContact CG2-CB 3.73Å; T602-M689 HydrophobicContact CG2-CG 4.03Å; T602-M689 HydrophobicContact CG2-SD 4.26Å
603	P	83.3	Confident	81.3	Confident	16 Å²	16	34 Å²	34	10%	0.104	19%	0.185	C	C	.	.	S	Bend	trans	-69	-28.7	-174.6	21	-28.5	0	0	0	114.9	V592 Y595 F624 L646	V592-P603 HydrophobicContact CB-CG 4.47Å; V592-P603 HydrophobicContact CG1-CG 4.19Å; V592-P603 HydrophobicContact CG2-CG 4.2Å; Y595-P603 HydrophobicContact CD1-CB 3.72Å; Y595-P603 VanDerWaalsContact CD1-CD 3.45Å; Y595-P603 HydrophobicContact CD1-CG 3.98Å; Y595-P603 HydrophobicContact CD2-CB 3.74Å; Y595-P603 HydrophobicContact CD2-CG 4.4Å; Y595-P603 HydrophobicContact CE1-CB 3.94Å; Y595-P603 HydrophobicContact CE2-CB 3.99Å; Y595-P603 HydrophobicContact CG-CB 3.64Å; Y595-P603 HydrophobicContact CG-CG 3.88Å; P603-F624 HydrophobicContact CB-CB 4.13Å; P603-L646 HydrophobicContact CG-CD1 4.5Å
604	F	82	Confident	80.8	Confident	3 Å²	3	38 Å²	38	1%	0.013	20%	0.204	C	C	.	.	S	Bend	trans	-122.5	-12.7	-169.1	-53.7	-66	0	0	0	114.5	W588 V592 T602 I615 R618 I619 F624 L646	W588-F604 HydrophobicContact CH2-CE2 4.06Å; W588-F604 AromaticContact CH2-CZ 3.8Å; W588-F604 HydrophobicContact CH2-CZ 3.8Å; W588-F604 HydrophobicContact CZ2-CD2 4.22Å; W588-F604 AromaticContact CZ2-CE2 3.37Å; W588-F604 HydrophobicContact CZ2-CE2 3.37Å; W588-F604 AromaticContact CZ2-CZ 3.61Å; W588-F604 HydrophobicContact CZ2-CZ 3.61Å; V592-F604 HydrophobicContact CG2-CD2 4.46Å; V592-F604 HydrophobicContact CG2-CE2 4.14Å; T602-F604 PolarHBondContact O-N 2.68Å; F604-I615 HydrophobicContact CB-CG2 4.23Å; F604-R618 HydrophobicContact CD1-CB 4.48Å; F604-R618 WeakPolarHBondContact O-CD 3.47Å; F604-R618 PolarHBondContact O-NH1 3.11Å; F604-I619 HydrophobicContact CB-CG1 3.86Å; F604-I619 HydrophobicContact CD1-CG1 3.98Å; F604-I619 HydrophobicContact CD2-CD1 4.4Å; F604-I619 HydrophobicContact CD2-CG1 3.75Å; F604-I619 HydrophobicContact CE1-CG1 4.49Å; F604-I619 HydrophobicContact CE2-CG1 4.3Å; F604-I619 HydrophobicContact CG-CD1 4.5Å; F604-I619 HydrophobicContact CG-CG1 3.58Å; F604-F624 HydrophobicContact CE1-CB 4.08Å; F604-F624 HydrophobicContact CE1-CD1 4.11Å; F604-F624 HydrophobicContact CZ-CD1 4.11Å; F604-L646 HydrophobicContact CE2-CD2 4.4Å; F604-L646 HydrophobicContact CZ-CD1 4.43Å
605	A	76.7	Confident	79.8	Confident	5 Å²	5	38 Å²	38	4%	0.041	20%	0.204	C	C	.	.			trans	-114.9	134.8	176.2	0	0	0	0	0	110.2	T602 D610 I615 A688 T692	T602-A605 PolarHBondContact OG1-O 2.84Å; A605-D610 WeakPolarHBondContact CA-OD2 3.5Å; A605-I615 HydrophobicContact CB-CD1 4.14Å; A605-I615 HydrophobicContact CB-CG1 4.29Å; A605-A688 HydrophobicContact CB-CB 3.82Å; A605-A688 WeakPolarHBondContact CB-O 3.38Å; A605-T692 WeakPolarHBondContact CB-OG1 3.44Å
606	N	71.9	Confident	78.8	Confident	137 Å²	137	39.4 Å²	39.4	73%	0.733	21%	0.212	S	C	*	.	S	Bend	trans	-89.4	-16.1	176.7	-64.5	-33.5	0	0	0	111.5	D610 R618	N606-D610 PolarHBondContact N-OD2 3.04Å; N606-R618 PolarHBondContact ND2-NH1 3.25Å; N606-R618 PolarHBondContact ND2-NH2 3.24Å
607	G	73.3	Confident	78.1	Confident	14 Å²	14	45.8 Å²	45.8	14%	0.144	25%	0.245	C	C	.	.	S	Bend	trans	176.8	176.3	178.9	0	0	0	0	0	113	N609 D610	G607-N609 PolarHBondContact O-N 2.85Å; G607-D610 PolarHBondContact O-N 3.01Å
608	P	72.8	Confident	77.6	Confident	56 Å²	56	48.4 Å²	48.4	36%	0.364	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-16.6	179.1	25.3	-33.7	0	0	0	114.6	L684	P608-L684 HydrophobicContact CG-CD2 4.26Å
609	N	78.2	Confident	76.9	Confident	154 Å²	154	49.4 Å²	49.4	82%	0.824	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-3.5	-176.4	-62.5	-23	0	0	0	113.3	G607	G607-N609 PolarHBondContact O-N 2.85Å
610	D	76.6	Confident	75.9	Confident	29 Å²	29	51.9 Å²	51.9	16%	0.155	29%	0.286	C	S	.	.			trans	-62.3	137.7	176.3	-82.2	-9.5	0	0	0	110.3	A605 N606 G607 I615 R618	A605-D610 WeakPolarHBondContact CA-OD2 3.5Å; N606-D610 PolarHBondContact N-OD2 3.04Å; G607-D610 PolarHBondContact O-N 3.01Å; D610-I615 HydrophobicContact CB-CD1 3.85Å; D610-I615 HydrophobicContact CB-CG1 3.8Å; D610-R618 IonicContact OD1-NH2 3.3Å; D610-R618 PolarHBondContact OD1-NH2 2.7Å; D610-R618 IonicContact OD2-CZ 2.89Å; D610-R618 IonicContact OD2-NH1 3.84Å; D610-R618 PolarHBondContact OD2-NH1 3Å; D610-R618 IonicContact OD2-NH2 2.79Å; D610-R618 PolarHBondContact OD2-NH2 2.91Å
611	T	79.1	Confident	75.6	Confident	55 Å²	55	54.7 Å²	54.7	34%	0.337	31%	0.305	S	S	.	.			trans	-73.4	147.3	176.3	61.2	0	0	0	0	110.8	E613 E614 I615	T611-E613 PolarHBondContact O-N 3.25Å; T611-E614 PolarHBondContact O-N 2.9Å; T611-E614 VanDerWaalsContact O-N 3.15Å; T611-E614 WeakPolarHBondContact OG1-CB 3.46Å; T611-E614 WeakPolarHBondContact OG1-CG 3.41Å; T611-E614 PolarHBondContact OG1-N 2.98Å; T611-E614 PolarHBondContact OG1-OE1 2.85Å; T611-I615 WeakPolarHBondContact O-CG1 3.3Å; T611-I615 PolarHBondContact O-N 3.38Å; T611-I615 VanDerWaalsContact O-N 3.14Å
612	P	71.8	Confident	74.9	Confident	31 Å²	31	52.5 Å²	52.5	20%	0.201	30%	0.304	C	S	.	.	H	α-helix	trans	-52.2	-37.6	174.8	-28.8	36.7	0	0	0	113.4	I615 L616 A695	P612-I615 PolarHBondContact O-N 3.24Å; P612-L616 VanDerWaalsContact O-CB 3.32Å; P612-L616 WeakPolarHBondContact O-CB 3.37Å; P612-L616 WeakPolarHBondContact O-CG 3.48Å; P612-L616 PolarHBondContact O-N 3.42Å; P612-A695 HydrophobicContact CB-CB 3.84Å
613	E	72.5	Confident	74.4	Confident	125 Å²	125	60.3 Å²	60.3	58%	0.584	34%	0.338	S	S	*	.	H	α-helix	trans	-64	-44.1	179.3	-65.7	72	-158.1	0	0	112.1	T611 L616 L617	T611-E613 PolarHBondContact O-N 3.25Å; E613-L616 PolarHBondContact O-N 3.36Å; E613-L617 WeakPolarHBondContact O-CB 3.47Å; E613-L617 PolarHBondContact O-N 3.44Å
614	E	77	Confident	74.3	Confident	88 Å²	88	61.6 Å²	61.6	41%	0.411	34%	0.341	S	S	.	.	H	α-helix	trans	-64.7	-43.1	177.1	-75.5	165.6	-145.9	0	0	111.9	T611 L617 R618	T611-E614 PolarHBondContact O-N 2.9Å; T611-E614 VanDerWaalsContact O-N 3.15Å; T611-E614 WeakPolarHBondContact OG1-CB 3.46Å; T611-E614 WeakPolarHBondContact OG1-CG 3.41Å; T611-E614 PolarHBondContact OG1-N 2.98Å; T611-E614 PolarHBondContact OG1-OE1 2.85Å; E614-L617 PolarHBondContact O-N 3.48Å; E614-R618 WeakPolarHBondContact O-CG 3.03Å; E614-R618 PolarHBondContact O-N 3.43Å; E614-R618 VanDerWaalsContact O-N 3.08Å; E614-R618 IonicContact OE2-NH2 3.43Å; E614-R618 PolarHBondContact OE2-NH2 3.03Å
615	I	73.3	Confident	74.3	Confident	1 Å²	1	64 Å²	64	1%	0.005	36%	0.359	C	S	.	.	H	α-helix	trans	-64.1	-46.3	178	-61.2	169.9	0	0	0	109.9	F604 A605 D610 T611 P612 L617 R618 I619 A691 T692 A695	F604-I615 HydrophobicContact CB-CG2 4.23Å; A605-I615 HydrophobicContact CB-CD1 4.14Å; A605-I615 HydrophobicContact CB-CG1 4.29Å; D610-I615 HydrophobicContact CB-CD1 3.85Å; D610-I615 HydrophobicContact CB-CG1 3.8Å; T611-I615 WeakPolarHBondContact O-CG1 3.3Å; T611-I615 PolarHBondContact O-N 3.38Å; T611-I615 VanDerWaalsContact O-N 3.14Å; P612-I615 PolarHBondContact O-N 3.24Å; I615-L617 VanDerWaalsContact C-N 3.29Å; I615-L617 PolarHBondContact O-N 3.29Å; I615-R618 PolarHBondContact O-N 2.91Å; I615-I619 HydrophobicContact CG2-CD1 3.88Å; I615-I619 HydrophobicContact CG2-CG1 4.43Å; I615-I619 WeakPolarHBondContact O-CG1 3.41Å; I615-I619 PolarHBondContact O-N 3.4Å; I615-A691 HydrophobicContact CD1-CB 3.83Å; I615-T692 HydrophobicContact CG2-CG2 4.19Å; I615-A695 HydrophobicContact CB-CB 4.22Å; I615-A695 HydrophobicContact CD1-CB 4.44Å; I615-A695 HydrophobicContact CG2-CB 4.29Å
616	L	68.9	Low	74.8	Confident	31 Å²	31	65.8 Å²	65.8	16%	0.162	37%	0.367	C	S	.	.	H	α-helix	trans	-63.3	-34.3	178	-74.2	171	0	0	0	112.6	P612 E613 G620 A695 L696 K699	P612-L616 VanDerWaalsContact O-CB 3.32Å; P612-L616 WeakPolarHBondContact O-CB 3.37Å; P612-L616 WeakPolarHBondContact O-CG 3.48Å; P612-L616 PolarHBondContact O-N 3.42Å; E613-L616 PolarHBondContact O-N 3.36Å; L616-G620 PolarHBondContact O-N 3.15Å; L616-A695 HydrophobicContact CG-CB 4.24Å; L616-L696 HydrophobicContact CD2-CD2 4.46Å; L616-K699 HydrophobicContact CD1-CD 3.96Å; L616-K699 HydrophobicContact CD1-CG 4.12Å; L616-K699 HydrophobicContact CD2-CD 4.37Å
617	L	73.1	Confident	75.4	Confident	133 Å²	133	64 Å²	64	70%	0.696	36%	0.362	S	S	*	.	H	α-helix	trans	-66.6	-41.1	175.5	-170.8	126.1	0	0	0	111.3	E613 E614 I615 G620 S621	E613-L617 WeakPolarHBondContact O-CB 3.47Å; E613-L617 PolarHBondContact O-N 3.44Å; E614-L617 PolarHBondContact O-N 3.48Å; I615-L617 VanDerWaalsContact C-N 3.29Å; I615-L617 PolarHBondContact O-N 3.29Å; L617-G620 PolarHBondContact O-N 2.95Å; L617-S621 WeakPolarHBondContact O-CB 3.25Å; L617-S621 PolarHBondContact O-N 3.22Å
618	R	76.8	Confident	75.8	Confident	56 Å²	56	64.8 Å²	64.8	21%	0.211	37%	0.37	C	S	.	.	H	α-helix	trans	-66.2	-44.2	175.1	-66.3	177.2	-141.6	147.6	-1.1	111.5	F604 N606 D610 E614 I615 G620 S621 G622	F604-R618 HydrophobicContact CD1-CB 4.48Å; F604-R618 WeakPolarHBondContact O-CD 3.47Å; F604-R618 PolarHBondContact O-NH1 3.11Å; N606-R618 PolarHBondContact ND2-NH1 3.25Å; N606-R618 PolarHBondContact ND2-NH2 3.24Å; D610-R618 IonicContact OD1-NH2 3.3Å; D610-R618 PolarHBondContact OD1-NH2 2.7Å; D610-R618 IonicContact OD2-CZ 2.89Å; D610-R618 IonicContact OD2-NH1 3.84Å; D610-R618 PolarHBondContact OD2-NH1 3Å; D610-R618 IonicContact OD2-NH2 2.79Å; D610-R618 PolarHBondContact OD2-NH2 2.91Å; E614-R618 WeakPolarHBondContact O-CG 3.03Å; E614-R618 PolarHBondContact O-N 3.43Å; E614-R618 VanDerWaalsContact O-N 3.08Å; E614-R618 IonicContact OE2-NH2 3.43Å; E614-R618 PolarHBondContact OE2-NH2 3.03Å; I615-R618 PolarHBondContact O-N 2.91Å; R618-G620 PolarHBondContact O-N 3.39Å; R618-S621 PolarHBondContact O-N 3.48Å; R618-S621 PolarHBondContact O-OG 2.95Å; R618-G622 PolarHBondContact O-N 2.98Å
619	I	74.3	Confident	76.4	Confident	20 Å²	20	64.9 Å²	64.9	10%	0.103	38%	0.381	C	S	.	.	H	α-helix	trans	-57.4	-49.9	173.3	-69.5	170.7	0	0	0	110.8	W588 F604 I615 S621 G622 T692 L696	W588-I619 HydrophobicContact CH2-CG2 3.96Å; W588-I619 HydrophobicContact CZ2-CB 4.47Å; W588-I619 HydrophobicContact CZ2-CG1 4.28Å; W588-I619 HydrophobicContact CZ2-CG2 3.67Å; F604-I619 HydrophobicContact CB-CG1 3.86Å; F604-I619 HydrophobicContact CD1-CG1 3.98Å; F604-I619 HydrophobicContact CD2-CD1 4.4Å; F604-I619 HydrophobicContact CD2-CG1 3.75Å; F604-I619 HydrophobicContact CE1-CG1 4.49Å; F604-I619 HydrophobicContact CE2-CG1 4.3Å; F604-I619 HydrophobicContact CG-CD1 4.5Å; F604-I619 HydrophobicContact CG-CG1 3.58Å; I615-I619 HydrophobicContact CG2-CD1 3.88Å; I615-I619 HydrophobicContact CG2-CG1 4.43Å; I615-I619 WeakPolarHBondContact O-CG1 3.41Å; I615-I619 PolarHBondContact O-N 3.4Å; I619-S621 PolarHBondContact O-N 3.42Å; I619-G622 PolarHBondContact O-N 2.83Å; I619-T692 HydrophobicContact CD1-CG2 4.34Å; I619-L696 HydrophobicContact CD1-CD2 3.94Å; I619-L696 HydrophobicContact CD1-CG 4.19Å
620	G	66.1	Low	76.7	Confident	55 Å²	55	58 Å²	58	57%	0.567	34%	0.344	S	S	*	.	H	α-helix	trans	-65.4	-24.9	-179.4	0	0	0	0	0	113.9	L616 L617 R618 G622	L616-G620 PolarHBondContact O-N 3.15Å; L617-G620 PolarHBondContact O-N 2.95Å; R618-G620 PolarHBondContact O-N 3.39Å; G620-G622 VanDerWaalsContact C-N 3.28Å
621	S	75.3	Confident	77.3	Confident	62 Å²	62	56.6 Å²	56.6	43%	0.434	34%	0.337	S	S	.	.	H	α-helix	trans	-73.8	-19.3	173.5	81.2	0	0	0	0	113.6	L617 R618 I619 K623	L617-S621 WeakPolarHBondContact O-CB 3.25Å; L617-S621 PolarHBondContact O-N 3.22Å; R618-S621 PolarHBondContact O-N 3.48Å; R618-S621 PolarHBondContact O-OG 2.95Å; I619-S621 PolarHBondContact O-N 3.42Å; S621-K623 PolarHBondContact O-N 2.94Å; S621-K623 VanDerWaalsContact O-N 3.15Å; S621-K623 PolarHBondContact OG-N 3.46Å
622	G	67.4	Low	77.6	Confident	25 Å²	25	59.4 Å²	59.4	26%	0.258	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	5.7	-175.9	0	0	0	0	0	115.3	R618 I619 G620	R618-G622 PolarHBondContact O-N 2.98Å; I619-G622 PolarHBondContact O-N 2.83Å; G620-G622 VanDerWaalsContact C-N 3.28Å
623	K	71.4	Confident	78.3	Confident	171 Å²	171	61.6 Å²	61.6	74%	0.743	36%	0.362	S	S	*	.			trans	-97.8	117.3	-176.2	-67	-178.1	-179.1	-178.4	0	110.4	S621	S621-K623 PolarHBondContact O-N 2.94Å; S621-K623 VanDerWaalsContact O-N 3.15Å; S621-K623 PolarHBondContact OG-N 3.46Å
624	F	82.4	Confident	79.1	Confident	42 Å²	42	55.8 Å²	55.8	18%	0.184	34%	0.336	C	S	.	.			trans	-130.1	151.1	167.4	56.5	-89.1	0	0	0	109.2	Y595 P603 F604 L626 L642 L646	Y595-F624 HydrophobicContact CD2-CD2 4.01Å; Y595-F624 HydrophobicContact CD2-CE2 4.4Å; Y595-F624 AromaticContact CE2-CD2 3.72Å; Y595-F624 HydrophobicContact CE2-CD2 3.72Å; Y595-F624 HydrophobicContact CE2-CE2 4.44Å; P603-F624 HydrophobicContact CB-CB 4.13Å; F604-F624 HydrophobicContact CE1-CB 4.08Å; F604-F624 HydrophobicContact CE1-CD1 4.11Å; F604-F624 HydrophobicContact CZ-CD1 4.11Å; F624-L626 HydrophobicContact CD2-CD2 4.05Å; F624-L626 HydrophobicContact CD2-CG 3.96Å; F624-L626 HydrophobicContact CE2-CD1 3.83Å; F624-L626 HydrophobicContact CE2-CD2 3.7Å; F624-L626 HydrophobicContact CE2-CG 3.66Å; F624-L642 HydrophobicContact CE2-CD2 4.13Å; F624-L642 HydrophobicContact CE2-CG 4.31Å; F624-L646 HydrophobicContact CD1-CD1 4.35Å; F624-L646 HydrophobicContact CE1-CB 3.72Å; F624-L646 HydrophobicContact CE1-CD1 4.02Å; F624-L646 HydrophobicContact CE2-CD1 4.25Å; F624-L646 HydrophobicContact CZ-CB 3.96Å; F624-L646 HydrophobicContact CZ-CD1 3.96Å
625	S	82.4	Confident	79.8	Confident	55 Å²	55	53 Å²	53	39%	0.385	33%	0.326	S	S	.	.			trans	-79.7	130.4	-178.3	-167.5	0	0	0	0	111.1	Y595 T627	Y595-S625 WeakPolarHBondContact CE2-O 3.44Å; Y595-S625 PolarHBondContact OH-O 3.16Å; S625-T627 PolarHBondContact OG-N 2.76Å; S625-T627 PolarHBondContact OG-O 3.16Å; S625-T627 PolarHBondContact OG-OG1 3.03Å
626	L	86.6	Confident	80.7	Confident	41 Å²	41	59.2 Å²	59.2	22%	0.215	36%	0.355	C	S	.	.			trans	-115.7	23.7	169.5	-70	178.2	0	0	0	111.3	Y595 F624 W631 K639 L642	Y595-L626 HydrophobicContact CE2-CD2 4.33Å; F624-L626 HydrophobicContact CD2-CD2 4.05Å; F624-L626 HydrophobicContact CD2-CG 3.96Å; F624-L626 HydrophobicContact CE2-CD1 3.83Å; F624-L626 HydrophobicContact CE2-CD2 3.7Å; F624-L626 HydrophobicContact CE2-CG 3.66Å; L626-W631 VanDerWaalsContact C-CB 3.48Å; L626-W631 HydrophobicContact CD2-CD2 3.96Å; L626-W631 HydrophobicContact CD2-CE3 3.69Å; L626-W631 HydrophobicContact CD2-CH2 3.74Å; L626-W631 HydrophobicContact CD2-CZ2 3.96Å; L626-W631 HydrophobicContact CD2-CZ3 3.57Å; L626-W631 WeakPolarHBondContact O-CB 3.3Å; L626-K639 HydrophobicContact CD1-CB 4.21Å; L626-K639 HydrophobicContact CD2-CG 4.42Å; L626-L642 HydrophobicContact CD2-CD2 3.81Å
627	T	84	Confident	81.8	Confident	101 Å²	101	59.6 Å²	59.6	62%	0.62	36%	0.36	S	S	*	.	S	Bend	trans	-133.3	150.1	178.1	57.2	0	0	0	0	109.8	S625	S625-T627 PolarHBondContact OG-N 2.76Å; S625-T627 PolarHBondContact OG-O 3.16Å; S625-T627 PolarHBondContact OG-OG1 3.03Å
628	G	81.4	Confident	82.7	Confident	30 Å²	30	53.2 Å²	53.2	31%	0.309	33%	0.327	S	S	.	.	S	Bend	trans	85.5	147.8	-179.9	0	0	0	0	0	114.1	N630 W631 D632	G628-N630 PolarHBondContact O-N 3.28Å; G628-W631 WeakPolarHBondContact O-CB 3.48Å; G628-W631 PolarHBondContact O-N 2.72Å; G628-D632 WeakPolarHBondContact CA-OD1 2.93Å; G628-D632 WeakPolarHBondContact CA-OD2 3.11Å; G628-D632 PolarHBondContact N-OD1 3.48Å
629	G	85.4	Confident	83.5	Confident	58 Å²	58	52 Å²	52	60%	0.598	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	65.1	-130.1	-179.9	0	0	0	0	0	111.1	W631 D632	G629-W631 PolarHBondContact O-N 3.39Å; G629-D632 PolarHBondContact O-N 3.1Å
630	N	85.6	Confident	84.5	Confident	9 Å²	9	54.4 Å²	54.4	5%	0.048	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-63.6	-27.5	179.3	-68.1	-14.6	0	0	0	112.9	L598 G628 D632 T633 V634 L676 T677	L598-N630 WeakPolarHBondContact O-CB 3Å; L598-N630 PolarHBondContact O-ND2 3.48Å; G628-N630 PolarHBondContact O-N 3.28Å; N630-D632 PolarHBondContact O-N 2.92Å; N630-D632 VanDerWaalsContact O-N 3.13Å; N630-T633 PolarHBondContact O-N 3.38Å; N630-T633 PolarHBondContact O-OG1 3.23Å; N630-V634 HydrophobicContact CB-CG2 4.43Å; N630-V634 VanDerWaalsContact O-CG2 3.25Å; N630-V634 WeakPolarHBondContact O-CG2 3.29Å; N630-V634 PolarHBondContact O-N 2.91Å; N630-L676 HydrophobicContact CB-CD2 3.87Å; N630-T677 PolarHBondContact ND2-O 3.19Å; N630-T677 WeakPolarHBondContact OD1-CB 3.38Å; N630-T677 PolarHBondContact OD1-N 2.79Å; N630-T677 PolarHBondContact OD1-O 3.12Å; N630-T677 PolarHBondContact OD1-OG1 3.24Å
631	W	89.4	Confident	85.9	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-64.2	-19.8	-175.9	-67.7	112.2	0	0	0	114.6	Y595 L598 A599 Y601 L626 G628 G629 T633 V634 K639 L642	Y595-W631 HydrophobicContact CD1-CZ2 4.26Å; Y595-W631 HydrophobicContact CD2-CH2 4.04Å; Y595-W631 AromaticContact CD2-CZ2 3.44Å; Y595-W631 HydrophobicContact CD2-CZ2 3.44Å; Y595-W631 VanDerWaalsContact CD2-CZ2 3.44Å; Y595-W631 HydrophobicContact CE1-CZ2 4.19Å; Y595-W631 AromaticContact CE2-CE2 3.77Å; Y595-W631 HydrophobicContact CE2-CH2 4.23Å; Y595-W631 AromaticContact CE2-CZ2 3.3Å; Y595-W631 HydrophobicContact CE2-CZ2 3.3Å; Y595-W631 AromaticContact CE2-NE1 3.89Å; Y595-W631 AromaticContact CG-CZ2 3.9Å; Y595-W631 HydrophobicContact CG-CZ2 3.9Å; Y595-W631 AromaticContact CZ-CE2 3.89Å; Y595-W631 AromaticContact CZ-CZ2 3.72Å; Y595-W631 AromaticContact CZ-NE1 3.56Å; Y595-W631 PolarHBondContact OH-NE1 3.35Å; L598-W631 HydrophobicContact CB-CH2 4Å; L598-W631 HydrophobicContact CB-CZ2 4.44Å; L598-W631 HydrophobicContact CB-CZ3 4.46Å; L598-W631 HydrophobicContact CD1-CH2 4.04Å; L598-W631 HydrophobicContact CD1-CZ3 4.17Å; A599-W631 HydrophobicContact CB-CZ2 3.79Å; Y601-W631 PolarHBondContact OH-NE1 2.93Å; L626-W631 VanDerWaalsContact C-CB 3.48Å; L626-W631 HydrophobicContact CD2-CD2 3.96Å; L626-W631 HydrophobicContact CD2-CE3 3.69Å; L626-W631 HydrophobicContact CD2-CH2 3.74Å; L626-W631 HydrophobicContact CD2-CZ2 3.96Å; L626-W631 HydrophobicContact CD2-CZ3 3.57Å; L626-W631 WeakPolarHBondContact O-CB 3.3Å; G628-W631 WeakPolarHBondContact O-CB 3.48Å; G628-W631 PolarHBondContact O-N 2.72Å; G629-W631 PolarHBondContact O-N 3.39Å; W631-T633 PolarHBondContact O-N 2.91Å; W631-V634 HydrophobicContact CE3-CB 4.06Å; W631-V634 HydrophobicContact CE3-CG1 3.77Å; W631-V634 HydrophobicContact CZ3-CB 4.45Å; W631-V634 HydrophobicContact CZ3-CG1 3.71Å; W631-K639 HydrophobicContact CE3-CG 4.16Å; W631-K639 HydrophobicContact CZ3-CG 4.23Å; W631-K639 WeakPolarHBondContact O-CE 3.4Å; W631-K639 PolarHBondContact O-NZ 3.14Å; W631-L642 HydrophobicContact CH2-CD2 3.36Å; W631-L642 HydrophobicContact CZ2-CD2 4.07Å; W631-L642 HydrophobicContact CZ3-CD2 4.07Å
632	D	85.6	Confident	86.8	Confident	114 Å²	114	48.9 Å²	48.9	61%	0.61	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-72.2	-21.5	175.4	-59.2	-28.3	0	0	0	111.9	G628 G629 N630	G628-D632 WeakPolarHBondContact CA-OD1 2.93Å; G628-D632 WeakPolarHBondContact CA-OD2 3.11Å; G628-D632 PolarHBondContact N-OD1 3.48Å; G629-D632 PolarHBondContact O-N 3.1Å; N630-D632 PolarHBondContact O-N 2.92Å; N630-D632 VanDerWaalsContact O-N 3.13Å
633	T	85.4	Confident	88	Confident	76 Å²	76	49.9 Å²	49.9	47%	0.466	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-20.1	179.7	61.4	0	0	0	0	113.7	N630 W631	N630-T633 PolarHBondContact O-N 3.38Å; N630-T633 PolarHBondContact O-OG1 3.23Å; W631-T633 PolarHBondContact O-N 2.91Å
634	V	89.6	Confident	89.1	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.024	27%	0.267	C	S	.	.	S	Bend	trans	-71.9	135.3	-178.4	165.4	0	0	0	0	110.8	E499 L598 N630 W631 S638 K639 L676	E499-V634 VanDerWaalsContact OE1-CA 3.25Å; E499-V634 WeakPolarHBondContact OE1-CA 3.06Å; L598-V634 HydrophobicContact CD1-CG1 4.25Å; N630-V634 HydrophobicContact CB-CG2 4.43Å; N630-V634 VanDerWaalsContact O-CG2 3.25Å; N630-V634 WeakPolarHBondContact O-CG2 3.29Å; N630-V634 PolarHBondContact O-N 2.91Å; W631-V634 HydrophobicContact CE3-CB 4.06Å; W631-V634 HydrophobicContact CE3-CG1 3.77Å; W631-V634 HydrophobicContact CZ3-CB 4.45Å; W631-V634 HydrophobicContact CZ3-CG1 3.71Å; V634-S638 WeakPolarHBondContact CG1-OG 3.41Å; V634-K639 WeakPolarHBondContact O-CE 3.36Å; V634-L676 HydrophobicContact CG2-CD2 3.6Å
635	S	91.6	Very high	89.6	Confident	29 Å²	29	42.1 Å²	42.1	20%	0.203	26%	0.259	C	S	.	.			trans	-62	146.1	-172.5	71.6	0	0	0	0	113.9	E499 S637 S638 K639	E499-S635 PolarHBondContact OE1-N 3.5Å; E499-S635 WeakPolarHBondContact OE2-CB 3.41Å; E499-S635 PolarHBondContact OE2-OG 3.26Å; S635-S637 PolarHBondContact O-N 3.43Å; S635-S638 WeakPolarHBondContact O-CB 3.39Å; S635-S638 PolarHBondContact O-N 3.17Å; S635-S638 PolarHBondContact O-OG 2.94Å; S635-S638 PolarHBondContact OG-N 3.41Å; S635-K639 PolarHBondContact O-N 2.9Å
636	E	91.1	Very high	89.9	Confident	132 Å²	132	39.7 Å²	39.7	62%	0.617	24%	0.241	S	C	*	.	H	α-helix	trans	-60.7	-31.9	175.7	-66.5	-55.7	123.1	0	0	112.5	S638 K639 D640	E636-S638 VanDerWaalsContact C-N 3.31Å; E636-S638 PolarHBondContact O-N 3.32Å; E636-K639 PolarHBondContact O-N 2.86Å; E636-K639 IonicContact OE1-NZ 2.95Å; E636-K639 PolarHBondContact OE1-NZ 3.45Å; E636-D640 WeakPolarHBondContact O-CB 3.32Å; E636-D640 PolarHBondContact O-N 3.39Å
637	S	92.6	Very high	90	Very high	38 Å²	38	41.3 Å²	41.3	27%	0.266	25%	0.247	S	C	.	.	H	α-helix	trans	-63	-35.6	175	-176.5	0	0	0	0	112.4	S635 L641 H662 S663 W664	S635-S637 PolarHBondContact O-N 3.43Å; S637-L641 PolarHBondContact O-N 2.94Å; S637-L641 VanDerWaalsContact O-N 3.14Å; S637-H662 PolarHBondContact O-CE1 2.8Å; S637-H662 VanDerWaalsContact O-CE1 3.3Å; S637-S663 PolarHBondContact OG-OG 2.92Å; S637-S663 VanDerWaalsContact OG-OG 3.06Å; S637-W664 WeakPolarHBondContact OG-CB 3.2Å; S637-W664 PolarHBondContact OG-N 2.83Å
638	S	92.6	Very high	89.9	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-71.2	-39	175.6	77.7	0	0	0	0	112.3	V634 S635 E636 D640 L641 L642	V634-S638 WeakPolarHBondContact CG1-OG 3.41Å; S635-S638 WeakPolarHBondContact O-CB 3.39Å; S635-S638 PolarHBondContact O-N 3.17Å; S635-S638 PolarHBondContact O-OG 2.94Å; S635-S638 PolarHBondContact OG-N 3.41Å; E636-S638 VanDerWaalsContact C-N 3.31Å; E636-S638 PolarHBondContact O-N 3.32Å; S638-D640 VanDerWaalsContact C-N 3.33Å; S638-L641 PolarHBondContact O-N 2.99Å; S638-L642 WeakPolarHBondContact O-CB 3.37Å; S638-L642 PolarHBondContact O-N 2.82Å
639	K	93.8	Very high	89.7	Confident	29 Å²	29	41.3 Å²	41.3	13%	0.126	24%	0.239	C	C	.	.	H	α-helix	trans	-64.2	-41.6	177.1	-66.7	177.2	-170.6	168	0	110.4	L626 W631 V634 S635 E636 L642 S643	L626-K639 HydrophobicContact CD1-CB 4.21Å; L626-K639 HydrophobicContact CD2-CG 4.42Å; W631-K639 HydrophobicContact CE3-CG 4.16Å; W631-K639 HydrophobicContact CZ3-CG 4.23Å; W631-K639 WeakPolarHBondContact O-CE 3.4Å; W631-K639 PolarHBondContact O-NZ 3.14Å; V634-K639 WeakPolarHBondContact O-CE 3.36Å; S635-K639 PolarHBondContact O-N 2.9Å; E636-K639 PolarHBondContact O-N 2.86Å; E636-K639 IonicContact OE1-NZ 2.95Å; E636-K639 PolarHBondContact OE1-NZ 3.45Å; K639-L642 PolarHBondContact O-N 3.46Å; K639-S643 WeakPolarHBondContact O-CB 3.43Å; K639-S643 PolarHBondContact O-N 2.87Å
640	D	94.9	Very high	89.4	Confident	72 Å²	72	39.8 Å²	39.8	39%	0.385	22%	0.219	S	C	.	.	H	α-helix	trans	-59.9	-51.7	174.9	-174.5	63.3	0	0	0	111.6	E636 S638 L642 S643 H644 H662	E636-D640 WeakPolarHBondContact O-CB 3.32Å; E636-D640 PolarHBondContact O-N 3.39Å; S638-D640 VanDerWaalsContact C-N 3.33Å; D640-L642 VanDerWaalsContact C-N 3.32Å; D640-L642 PolarHBondContact O-N 3.05Å; D640-S643 PolarHBondContact O-N 3.21Å; D640-S643 PolarHBondContact O-OG 3.43Å; D640-H644 PolarHBondContact O-N 2.97Å; D640-H644 PolarHBondContact O-ND1 3.05Å; D640-H644 IonicContact OD1-CE1 3.29Å; D640-H644 PolarHBondContact OD1-CE1 2.91Å; D640-H644 IonicContact OD1-ND1 2.71Å; D640-H644 IonicContact OD2-CE1 2.76Å; D640-H644 IonicContact OD2-ND1 2.65Å; D640-H662 IonicContact OD2-CE1 3.47Å; D640-H662 IonicContact OD2-NE2 3.03Å; D640-H662 PolarHBondContact OD2-NE2 3.17Å; D640-H662 VanDerWaalsContact OD2-NE2 3.14Å
641	L	95.6	Very high	89.2	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-56.7	-47.1	176	178.7	56.2	0	0	0	111.8	L506 L594 S637 S638 S643 H644 M645 Y654 V659 H662 W664 I665	L506-L641 HydrophobicContact CD2-CD2 4.3Å; L594-L641 HydrophobicContact CD2-CD2 4.34Å; S637-L641 PolarHBondContact O-N 2.94Å; S637-L641 VanDerWaalsContact O-N 3.14Å; S638-L641 PolarHBondContact O-N 2.99Å; L641-S643 VanDerWaalsContact C-N 3.29Å; L641-S643 PolarHBondContact O-N 2.78Å; L641-H644 PolarHBondContact O-N 2.92Å; L641-M645 HydrophobicContact CD1-CG 4.14Å; L641-M645 HydrophobicContact CD1-SD 4.07Å; L641-M645 HydrophobicContact CD2-SD 4.39Å; L641-M645 HydrophobicContact CG-CG 4.4Å; L641-M645 HydrophobicContact CG-SD 3.92Å; L641-M645 WeakPolarHBondContact O-CG 3.38Å; L641-M645 PolarHBondContact O-N 3.43Å; L641-Y654 HydrophobicContact CD1-CD2 4.25Å; L641-Y654 HydrophobicContact CD1-CE2 4.42Å; L641-V659 HydrophobicContact CD1-CG1 4.24Å; L641-V659 HydrophobicContact CD1-CG2 4.36Å; L641-H662 HydrophobicContact CD1-CB 3.84Å; L641-W664 HydrophobicContact CD2-CB 4.27Å; L641-W664 HydrophobicContact CD2-CD2 4.31Å; L641-W664 HydrophobicContact CD2-CE3 3.58Å; L641-W664 HydrophobicContact CD2-CZ3 4.3Å; L641-I665 HydrophobicContact CD2-CD1 4.41Å; L641-I665 HydrophobicContact CD2-CG1 4.04Å
642	L	94.1	Very high	89	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.3	-36.7	-177.3	-172.7	64.8	0	0	0	112.2	G591 L594 Y595 F624 L626 W631 S638 K639 D640 H644 M645 L646	G591-L642 WeakPolarHBondContact O-CD1 3.18Å; L594-L642 HydrophobicContact CB-CD1 4.14Å; L594-L642 HydrophobicContact CD2-CB 4.38Å; L594-L642 HydrophobicContact CD2-CD1 3.97Å; L594-L642 HydrophobicContact CG-CD1 4.13Å; Y595-L642 HydrophobicContact CD2-CD2 3.54Å; Y595-L642 HydrophobicContact CE2-CD2 4.41Å; Y595-L642 HydrophobicContact CG-CD2 4.27Å; F624-L642 HydrophobicContact CE2-CD2 4.13Å; F624-L642 HydrophobicContact CE2-CG 4.31Å; L626-L642 HydrophobicContact CD2-CD2 3.81Å; W631-L642 HydrophobicContact CH2-CD2 3.36Å; W631-L642 HydrophobicContact CZ2-CD2 4.07Å; W631-L642 HydrophobicContact CZ3-CD2 4.07Å; S638-L642 WeakPolarHBondContact O-CB 3.37Å; S638-L642 PolarHBondContact O-N 2.82Å; K639-L642 PolarHBondContact O-N 3.46Å; D640-L642 VanDerWaalsContact C-N 3.32Å; D640-L642 PolarHBondContact O-N 3.05Å; L642-H644 VanDerWaalsContact C-N 3.3Å; L642-H644 PolarHBondContact O-N 3.08Å; L642-M645 PolarHBondContact O-N 3.33Å; L642-L646 HydrophobicContact CD1-CD1 3.81Å; L642-L646 HydrophobicContact CD1-CG 4.12Å; L642-L646 HydrophobicContact CG-CD1 4.06Å; L642-L646 WeakPolarHBondContact O-CB 3.27Å; L642-L646 PolarHBondContact O-N 3.24Å
643	S	92.7	Very high	89.2	Confident	47 Å²	47	47.3 Å²	47.3	33%	0.329	25%	0.249	S	C	.	.	H	α-helix	trans	-62.7	-36.1	176.4	78.8	0	0	0	0	112.7	K639 D640 L641 H647	K639-S643 WeakPolarHBondContact O-CB 3.43Å; K639-S643 PolarHBondContact O-N 2.87Å; D640-S643 PolarHBondContact O-N 3.21Å; D640-S643 PolarHBondContact O-OG 3.43Å; L641-S643 VanDerWaalsContact C-N 3.29Å; L641-S643 PolarHBondContact O-N 2.78Å; S643-H647 PolarHBondContact O-N 3.46Å
644	H	94.3	Very high	89.6	Confident	50 Å²	50	46.1 Å²	46.1	23%	0.231	24%	0.236	C	C	.	.	H	α-helix	trans	-76.3	-33.6	176.4	-68.2	97.7	0	0	0	112.9	D640 L641 L642 R653 Y654	D640-H644 PolarHBondContact O-N 2.97Å; D640-H644 PolarHBondContact O-ND1 3.05Å; D640-H644 IonicContact OD1-CE1 3.29Å; D640-H644 PolarHBondContact OD1-CE1 2.91Å; D640-H644 IonicContact OD1-ND1 2.71Å; D640-H644 IonicContact OD2-CE1 2.76Å; D640-H644 IonicContact OD2-ND1 2.65Å; L641-H644 PolarHBondContact O-N 2.92Å; L642-H644 VanDerWaalsContact C-N 3.3Å; L642-H644 PolarHBondContact O-N 3.08Å; H644-R653 WeakPolarHBondContact O-CA 3.42Å; H644-R653 WeakPolarHBondContact O-CG 3.12Å; H644-Y654 HydrophobicContact CB-CD1 3.65Å; H644-Y654 HydrophobicContact CB-CD2 3.82Å; H644-Y654 HydrophobicContact CB-CE1 3.66Å; H644-Y654 HydrophobicContact CB-CE2 3.83Å; H644-Y654 HydrophobicContact CB-CG 3.73Å; H644-Y654 AromaticContact CD2-CD1 3.89Å; H644-Y654 AromaticContact CD2-CE1 3.14Å; H644-Y654 WeakPolarHBondContact CD2-CE1 3.33Å; H644-Y654 AromaticContact CD2-CZ 3.44Å; H644-Y654 VanDerWaalsContact CD2-CZ 3.44Å; H644-Y654 PolarHBondContact CD2-OH 3Å; H644-Y654 AromaticContact CG-CE1 3.47Å; H644-Y654 VanDerWaalsContact CG-CE1 3.47Å; H644-Y654 AromaticContact CG-CE2 3.94Å; H644-Y654 AromaticContact CG-CZ 3.42Å; H644-Y654 VanDerWaalsContact CG-CZ 3.42Å; H644-Y654 AromaticContact ND1-CZ 3.86Å; H644-Y654 AromaticContact NE2-CE1 3.87Å; H644-Y654 AromaticContact NE2-CZ 3.86Å; H644-Y654 PolarHBondContact NE2-OH 2.96Å; H644-Y654 PolarHBondContact O-N 3.47Å
645	M	93	Very high	89.8	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-74.4	-34.9	176.6	-66.5	-179.6	77.2	0	0	112.8	L506 I587 L590 L594 L641 L642 R653 V659	L506-M645 HydrophobicContact CD1-CE 4.34Å; L506-M645 HydrophobicContact CD2-CE 4.43Å; L506-M645 HydrophobicContact CD2-SD 4.23Å; I587-M645 HydrophobicContact CG2-CB 4.2Å; I587-M645 HydrophobicContact CG2-CE 4.21Å; I587-M645 HydrophobicContact CG2-CG 4.12Å; L590-M645 HydrophobicContact CB-CE 3.46Å; L590-M645 VanDerWaalsContact CB-CE 3.46Å; L594-M645 HydrophobicContact CD2-SD 4.2Å; L641-M645 HydrophobicContact CD1-CG 4.14Å; L641-M645 HydrophobicContact CD1-SD 4.07Å; L641-M645 HydrophobicContact CD2-SD 4.39Å; L641-M645 HydrophobicContact CG-CG 4.4Å; L641-M645 HydrophobicContact CG-SD 3.92Å; L641-M645 WeakPolarHBondContact O-CG 3.38Å; L641-M645 PolarHBondContact O-N 3.43Å; L642-M645 PolarHBondContact O-N 3.33Å; M645-R653 WeakPolarHBondContact O-CD 3.27Å; M645-R653 WeakPolarHBondContact O-CG 3.34Å; M645-V659 HydrophobicContact CE-CG1 4.3Å; M645-V659 HydrophobicContact CE-CG2 4.18Å; M645-V659 HydrophobicContact CG-CG2 3.86Å; M645-V659 HydrophobicContact SD-CG1 4.19Å; M645-V659 HydrophobicContact SD-CG2 4.12Å
646	L	89.7	Confident	89.9	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.016	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	22.2	178	-65.5	-178.1	0	0	0	112.9	W588 V592 P603 F604 F624 L642 V648	W588-L646 HydrophobicContact CD2-CD2 3.97Å; W588-L646 HydrophobicContact CE3-CD2 4.13Å; W588-L646 HydrophobicContact CG-CD2 4.4Å; W588-L646 HydrophobicContact CZ2-CD2 4.42Å; W588-L646 HydrophobicContact CZ3-CB 4.41Å; W588-L646 HydrophobicContact CZ3-CD2 4.45Å; W588-L646 VanDerWaalsContact CZ3-O 3.24Å; W588-L646 WeakPolarHBondContact CZ3-O 3.44Å; V592-L646 HydrophobicContact CG2-CD2 3.84Å; P603-L646 HydrophobicContact CG-CD1 4.5Å; F604-L646 HydrophobicContact CE2-CD2 4.4Å; F604-L646 HydrophobicContact CZ-CD1 4.43Å; F624-L646 HydrophobicContact CD1-CD1 4.35Å; F624-L646 HydrophobicContact CE1-CB 3.72Å; F624-L646 HydrophobicContact CE1-CD1 4.02Å; F624-L646 HydrophobicContact CE2-CD1 4.25Å; F624-L646 HydrophobicContact CZ-CB 3.96Å; F624-L646 HydrophobicContact CZ-CD1 3.96Å; L642-L646 HydrophobicContact CD1-CD1 3.81Å; L642-L646 HydrophobicContact CD1-CG 4.12Å; L642-L646 HydrophobicContact CG-CD1 4.06Å; L642-L646 WeakPolarHBondContact O-CB 3.27Å; L642-L646 PolarHBondContact O-N 3.24Å; L646-V648 PolarHBondContact O-N 3.21Å
647	H	87.8	Confident	90.1	Very high	75 Å²	75	46.1 Å²	46.1	35%	0.347	24%	0.238	S	C	.	.			trans	-63.6	130.5	174.5	-163.8	-76.3	0	0	0	110.1	S643 D649 Q652 R653	S643-H647 PolarHBondContact O-N 3.46Å; H647-D649 WeakPolarHBondContact ND1-CB 3.46Å; H647-D649 PolarHBondContact ND1-N 3.31Å; H647-D649 VanDerWaalsContact ND1-N 3.12Å; H647-D649 PolarHBondContact ND1-O 3.13Å; H647-D649 VanDerWaalsContact ND1-O 3.15Å; H647-D649 PolarHBondContact O-N 2.84Å; H647-Q652 VanDerWaalsContact CE1-CB 3.5Å; H647-Q652 WeakPolarHBondContact CE1-CB 3.37Å; H647-R653 HydrophobicContact CB-CB 4.41Å; H647-R653 VanDerWaalsContact O-CZ 3.31Å; H647-R653 PolarHBondContact O-NE 3.25Å; H647-R653 PolarHBondContact O-NH2 3.48Å
648	V	81.6	Confident	90.3	Very high	68 Å²	68	48.5 Å²	48.5	41%	0.412	24%	0.244	S	C	.	.	S	Bend	trans	-64.5	-43.2	-175.1	180	0	0	0	0	111.3	L646 P650 R653	L646-V648 PolarHBondContact O-N 3.21Å; V648-P650 VanDerWaalsContact O-CD 3.28Å; V648-P650 WeakPolarHBondContact O-CD 3.42Å; V648-R653 PolarHBondContact O-NH2 2.93Å
649	D	78.2	Confident	90.5	Very high	63 Å²	63	48.5 Å²	48.5	34%	0.337	24%	0.244	S	C	.	.	S	Bend	trans	-72.1	116.4	172.2	-175	-7.7	0	0	0	110.2	H647 H651 Q652 R653	H647-D649 WeakPolarHBondContact ND1-CB 3.46Å; H647-D649 PolarHBondContact ND1-N 3.31Å; H647-D649 VanDerWaalsContact ND1-N 3.12Å; H647-D649 PolarHBondContact ND1-O 3.13Å; H647-D649 VanDerWaalsContact ND1-O 3.15Å; H647-D649 PolarHBondContact O-N 2.84Å; D649-H651 PolarHBondContact O-N 3.36Å; D649-H651 WeakPolarHBondContact OD1-CB 3.4Å; D649-H651 IonicContact OD1-CD2 2.87Å; D649-H651 PolarHBondContact OD1-CD2 3.43Å; D649-H651 IonicContact OD1-CG 2.64Å; D649-H651 PolarHBondContact OD1-N 2.85Å; D649-Q652 HydrophobicContact CB-CB 4.34Å; D649-Q652 HydrophobicContact CB-CG 4.15Å; D649-Q652 PolarHBondContact O-N 3.31Å; D649-R653 PolarHBondContact O-N 2.72Å
650	P	79.3	Confident	90.7	Very high	27 Å²	27	48.5 Å²	48.5	18%	0.175	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.8	177.4	-22.1	34.4	0	0	0	114.3	Y581 A584 V648 R653	Y581-P650 HydrophobicContact CD2-CB 4.22Å; Y581-P650 HydrophobicContact CD2-CG 3.63Å; Y581-P650 HydrophobicContact CE2-CG 3.86Å; A584-P650 HydrophobicContact CB-CB 3.84Å; V648-P650 VanDerWaalsContact O-CD 3.28Å; V648-P650 WeakPolarHBondContact O-CD 3.42Å; P650-R653 WeakPolarHBondContact O-CB 3.43Å; P650-R653 PolarHBondContact O-N 3.18Å
651	H	80.2	Confident	90.7	Very high	136 Å²	136	51.7 Å²	51.7	63%	0.63	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-23.1	-178.1	-62.9	-65.3	0	0	0	113.6	D649	D649-H651 PolarHBondContact O-N 3.36Å; D649-H651 WeakPolarHBondContact OD1-CB 3.4Å; D649-H651 IonicContact OD1-CD2 2.87Å; D649-H651 PolarHBondContact OD1-CD2 3.43Å; D649-H651 IonicContact OD1-CG 2.64Å; D649-H651 PolarHBondContact OD1-N 2.85Å
652	Q	85.3	Confident	90.8	Very high	125 Å²	125	52.5 Å²	52.5	58%	0.584	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-9.7	173.8	-59.5	-62.7	-33.9	0	0	111.7	H647 D649	H647-Q652 VanDerWaalsContact CE1-CB 3.5Å; H647-Q652 WeakPolarHBondContact CE1-CB 3.37Å; D649-Q652 HydrophobicContact CB-CB 4.34Å; D649-Q652 HydrophobicContact CB-CG 4.15Å; D649-Q652 PolarHBondContact O-N 3.31Å
653	R	90.1	Very high	90.8	Very high	19 Å²	19	55.2 Å²	55.2	7%	0.072	28%	0.279	C	S	.	.	S	Bend	trans	-70.3	141.1	178.1	-164	176.8	-60.7	139.2	9.5	109.5	A584 I587 H644 M645 H647 V648 D649 P650	A584-R653 VanDerWaalsContact C-NH1 3.28Å; A584-R653 VanDerWaalsContact O-CD 3.26Å; A584-R653 WeakPolarHBondContact O-CD 3.46Å; A584-R653 PolarHBondContact O-NH1 3.22Å; I587-R653 HydrophobicContact CB-CG 4.48Å; I587-R653 HydrophobicContact CG2-CG 4.12Å; H644-R653 WeakPolarHBondContact O-CA 3.42Å; H644-R653 WeakPolarHBondContact O-CG 3.12Å; M645-R653 WeakPolarHBondContact O-CD 3.27Å; M645-R653 WeakPolarHBondContact O-CG 3.34Å; H647-R653 HydrophobicContact CB-CB 4.41Å; H647-R653 VanDerWaalsContact O-CZ 3.31Å; H647-R653 PolarHBondContact O-NE 3.25Å; H647-R653 PolarHBondContact O-NH2 3.48Å; V648-R653 PolarHBondContact O-NH2 2.93Å; D649-R653 PolarHBondContact O-N 2.72Å; P650-R653 WeakPolarHBondContact O-CB 3.43Å; P650-R653 PolarHBondContact O-N 3.18Å
654	Y	94.6	Very high	90.9	Very high	52 Å²	52	53 Å²	53	20%	0.204	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-60.4	148.2	176.7	-82.8	9.7	0	0	0	112.2	I587 L641 H644 Q658 V659	I587-Y654 WeakPolarHBondContact CG1-O 3.19Å; I587-Y654 WeakPolarHBondContact CG2-O 3.28Å; L641-Y654 HydrophobicContact CD1-CD2 4.25Å; L641-Y654 HydrophobicContact CD1-CE2 4.42Å; H644-Y654 HydrophobicContact CB-CD1 3.65Å; H644-Y654 HydrophobicContact CB-CD2 3.82Å; H644-Y654 HydrophobicContact CB-CE1 3.66Å; H644-Y654 HydrophobicContact CB-CE2 3.83Å; H644-Y654 HydrophobicContact CB-CG 3.73Å; H644-Y654 AromaticContact CD2-CD1 3.89Å; H644-Y654 AromaticContact CD2-CE1 3.14Å; H644-Y654 WeakPolarHBondContact CD2-CE1 3.33Å; H644-Y654 AromaticContact CD2-CZ 3.44Å; H644-Y654 VanDerWaalsContact CD2-CZ 3.44Å; H644-Y654 PolarHBondContact CD2-OH 3Å; H644-Y654 AromaticContact CG-CE1 3.47Å; H644-Y654 VanDerWaalsContact CG-CE1 3.47Å; H644-Y654 AromaticContact CG-CE2 3.94Å; H644-Y654 AromaticContact CG-CZ 3.42Å; H644-Y654 VanDerWaalsContact CG-CZ 3.42Å; H644-Y654 AromaticContact ND1-CZ 3.86Å; H644-Y654 AromaticContact NE2-CE1 3.87Å; H644-Y654 AromaticContact NE2-CZ 3.86Å; H644-Y654 PolarHBondContact NE2-OH 2.96Å; H644-Y654 PolarHBondContact O-N 3.47Å; Y654-Q658 VanDerWaalsContact CA-OE1 3.27Å; Y654-Q658 HydrophobicContact CD1-CB 4.35Å; Y654-Q658 HydrophobicContact CD2-CB 3.97Å; Y654-Q658 HydrophobicContact CG-CB 3.85Å; Y654-V659 HydrophobicContact CD2-CG2 4.28Å
655	T	93.8	Very high	90.9	Very high	68 Å²	68	50.8 Å²	50.8	42%	0.417	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-79.5	166	163.1	67.6	0	0	0	0	110.7	E657 Q658 V659	T655-E657 VanDerWaalsContact C-N 3.29Å; T655-E657 PolarHBondContact O-N 3.05Å; T655-Q658 PolarHBondContact O-N 2.82Å; T655-Q658 VanDerWaalsContact O-N 3.13Å; T655-Q658 WeakPolarHBondContact OG1-CG 3.39Å; T655-Q658 PolarHBondContact OG1-N 3.41Å; T655-Q658 PolarHBondContact OG1-OE1 3.47Å; T655-V659 WeakPolarHBondContact O-CG2 3.29Å; T655-V659 PolarHBondContact O-N 2.55Å
656	A	93.8	Very high	90.8	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-57	-44.6	175.8	0	0	0	0	0	111.5	T510 V513 D514 I587 Q658 V659 L660	T510-A656 HydrophobicContact CG2-CB 4.19Å; V513-A656 HydrophobicContact CG1-CB 4.4Å; D514-A656 HydrophobicContact CB-CB 3.67Å; I587-A656 HydrophobicContact CD1-CB 3.86Å; A656-Q658 VanDerWaalsContact C-N 3.34Å; A656-Q658 PolarHBondContact O-N 2.99Å; A656-V659 WeakPolarHBondContact O-CB 3.45Å; A656-V659 PolarHBondContact O-N 2.83Å; A656-L660 WeakPolarHBondContact O-CG 3.36Å; A656-L660 PolarHBondContact O-N 2.97Å
657	E	95	Very high	90.7	Very high	96 Å²	96	57.4 Å²	57.4	45%	0.449	30%	0.295	S	S	.	.	H	α-helix	trans	-56	-44.4	174	-170	-170.4	176.8	0	0	112.7	D514 T655 L660 K661	D514-E657 PolarHBondContact OD1-N 3.22Å; D514-E657 VanDerWaalsContact OD1-N 3.11Å; T655-E657 VanDerWaalsContact C-N 3.29Å; T655-E657 PolarHBondContact O-N 3.05Å; E657-L660 PolarHBondContact O-N 3.46Å; E657-K661 HydrophobicContact CG-CD 4.34Å; E657-K661 WeakPolarHBondContact O-CG 3.43Å; E657-K661 PolarHBondContact O-N 3.12Å; E657-K661 VanDerWaalsContact O-N 3.12Å; E657-K661 WeakPolarHBondContact OE1-CE 3.33Å; E657-K661 IonicContact OE1-NZ 2.76Å; E657-K661 PolarHBondContact OE1-NZ 3.42Å
658	Q	96.3	Very high	90.4	Very high	88 Å²	88	56.8 Å²	56.8	41%	0.411	29%	0.292	S	S	.	.	H	α-helix	trans	-66	-40.5	178.3	-73.9	171.8	-34	0	0	111.9	Y654 T655 A656 L660 K661 H662	Y654-Q658 VanDerWaalsContact CA-OE1 3.27Å; Y654-Q658 HydrophobicContact CD1-CB 4.35Å; Y654-Q658 HydrophobicContact CD2-CB 3.97Å; Y654-Q658 HydrophobicContact CG-CB 3.85Å; T655-Q658 PolarHBondContact O-N 2.82Å; T655-Q658 VanDerWaalsContact O-N 3.13Å; T655-Q658 WeakPolarHBondContact OG1-CG 3.39Å; T655-Q658 PolarHBondContact OG1-N 3.41Å; T655-Q658 PolarHBondContact OG1-OE1 3.47Å; A656-Q658 VanDerWaalsContact C-N 3.34Å; A656-Q658 PolarHBondContact O-N 2.99Å; Q658-L660 VanDerWaalsContact C-N 3.33Å; Q658-L660 PolarHBondContact O-N 2.98Å; Q658-K661 PolarHBondContact O-N 3.19Å; Q658-H662 PolarHBondContact O-N 3.37Å
659	V	97.2	Very high	90.5	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.5	-44.6	173.5	172.9	0	0	0	0	110.7	T510 I587 L641 M645 Y654 T655 A656 K661 H662 I665	T510-V659 HydrophobicContact CG2-CB 3.88Å; T510-V659 HydrophobicContact CG2-CG1 3.7Å; I587-V659 HydrophobicContact CG2-CG2 4.3Å; L641-V659 HydrophobicContact CD1-CG1 4.24Å; L641-V659 HydrophobicContact CD1-CG2 4.36Å; M645-V659 HydrophobicContact CE-CG1 4.3Å; M645-V659 HydrophobicContact CE-CG2 4.18Å; M645-V659 HydrophobicContact CG-CG2 3.86Å; M645-V659 HydrophobicContact SD-CG1 4.19Å; M645-V659 HydrophobicContact SD-CG2 4.12Å; Y654-V659 HydrophobicContact CD2-CG2 4.28Å; T655-V659 WeakPolarHBondContact O-CG2 3.29Å; T655-V659 PolarHBondContact O-N 2.55Å; A656-V659 WeakPolarHBondContact O-CB 3.45Å; A656-V659 PolarHBondContact O-N 2.83Å; V659-K661 VanDerWaalsContact C-N 3.27Å; V659-K661 PolarHBondContact O-N 3.32Å; V659-H662 VanDerWaalsContact O-CB 3.29Å; V659-H662 WeakPolarHBondContact O-CB 3.24Å; V659-H662 PolarHBondContact O-N 3.4Å; V659-H662 VanDerWaalsContact O-N 3.16Å; V659-I665 WeakPolarHBondContact O-CG1 3.48Å
660	L	96.4	Very high	90.7	Very high	29 Å²	29	62 Å²	62	15%	0.152	32%	0.318	C	S	.	.	H	α-helix	trans	-65.2	-28.2	179.7	-69.6	171.2	0	0	0	113.6	Y507 T510 K511 D514 A656 E657 Q658 T666	Y507-L660 HydrophobicContact CD2-CD2 3.8Å; Y507-L660 HydrophobicContact CE2-CD2 4.01Å; T510-L660 HydrophobicContact CG2-CD1 4.48Å; T510-L660 HydrophobicContact CG2-CD2 3.95Å; T510-L660 HydrophobicContact CG2-CG 3.8Å; K511-L660 HydrophobicContact CB-CD2 4.21Å; D514-L660 HydrophobicContact CB-CD1 3.68Å; A656-L660 WeakPolarHBondContact O-CG 3.36Å; A656-L660 PolarHBondContact O-N 2.97Å; E657-L660 PolarHBondContact O-N 3.46Å; Q658-L660 VanDerWaalsContact C-N 3.33Å; Q658-L660 PolarHBondContact O-N 2.98Å; L660-T666 WeakPolarHBondContact O-CG2 3.43Å
661	K	96.3	Very high	91	Very high	138 Å²	138	61.6 Å²	61.6	60%	0.6	31%	0.313	S	S	*	.	H	α-helix	trans	-83.7	-11.2	176.9	-73	172.6	175.3	173.5	0	113.5	E657 Q658 V659	E657-K661 HydrophobicContact CG-CD 4.34Å; E657-K661 WeakPolarHBondContact O-CG 3.43Å; E657-K661 PolarHBondContact O-N 3.12Å; E657-K661 VanDerWaalsContact O-N 3.12Å; E657-K661 WeakPolarHBondContact OE1-CE 3.33Å; E657-K661 IonicContact OE1-NZ 2.76Å; E657-K661 PolarHBondContact OE1-NZ 3.42Å; Q658-K661 PolarHBondContact O-N 3.19Å; V659-K661 VanDerWaalsContact C-N 3.27Å; V659-K661 PolarHBondContact O-N 3.32Å
662	H	97.3	Very high	90.8	Very high	17 Å²	17	56.6 Å²	56.6	8%	0.079	29%	0.293	C	S	.	.	S	Bend	trans	-64.9	147.2	-176.4	-169.4	-94.2	0	0	0	112.4	S637 D640 L641 Q658 V659 W664 I665 T666	S637-H662 PolarHBondContact O-CE1 2.8Å; S637-H662 VanDerWaalsContact O-CE1 3.3Å; D640-H662 IonicContact OD2-CE1 3.47Å; D640-H662 IonicContact OD2-NE2 3.03Å; D640-H662 PolarHBondContact OD2-NE2 3.17Å; D640-H662 VanDerWaalsContact OD2-NE2 3.14Å; L641-H662 HydrophobicContact CD1-CB 3.84Å; Q658-H662 PolarHBondContact O-N 3.37Å; V659-H662 VanDerWaalsContact O-CB 3.29Å; V659-H662 WeakPolarHBondContact O-CB 3.24Å; V659-H662 PolarHBondContact O-N 3.4Å; V659-H662 VanDerWaalsContact O-N 3.16Å; H662-W664 VanDerWaalsContact C-N 3.31Å; H662-W664 WeakPolarHBondContact ND1-CB 3.24Å; H662-W664 PolarHBondContact ND1-N 3.15Å; H662-W664 VanDerWaalsContact ND1-N 3.14Å; H662-W664 PolarHBondContact O-N 2.87Å; H662-I665 PolarHBondContact O-N 2.92Å; H662-T666 PolarHBondContact O-N 3.43Å; H662-T666 PolarHBondContact O-OG1 2.9Å
663	S	93.5	Very high	90.3	Very high	57 Å²	57	56.3 Å²	56.3	40%	0.399	29%	0.292	S	S	.	.	H	α-helix	trans	-57.4	-40.3	-177.2	59.2	0	0	0	0	113	S637 I665 T666 C667	S637-S663 PolarHBondContact OG-OG 2.92Å; S637-S663 VanDerWaalsContact OG-OG 3.06Å; S663-I665 PolarHBondContact O-N 2.97Å; S663-T666 WeakPolarHBondContact CA-OG1 3.22Å; S663-T666 PolarHBondContact O-N 3.33Å; S663-T666 PolarHBondContact O-OG1 3.41Å; S663-C667 WeakPolarHBondContact O-CB 3.43Å; S663-C667 PolarHBondContact O-N 3.1Å
664	W	95.1	Very high	89.5	Confident	1 Å²	1	61.9 Å²	61.9	0%	0.004	32%	0.316	C	S	.	.	H	α-helix	trans	-62.1	-27.7	177.5	-167.4	79	0	0	0	113.9	E499 A502 S503 L506 L594 L598 S637 L641 H662 L671	E499-W664 HydrophobicContact CB-CZ2 4.26Å; E499-W664 HydrophobicContact CG-CZ2 4.48Å; E499-W664 PolarHBondContact OE2-NE1 3.07Å; A502-W664 HydrophobicContact CB-CH2 3.98Å; A502-W664 HydrophobicContact CB-CZ2 4.39Å; S503-W664 VanDerWaalsContact CA-CH2 3.44Å; S503-W664 VanDerWaalsContact CA-CZ3 3.47Å; S503-W664 PolarHBondContact OG-O 3.33Å; L506-W664 HydrophobicContact CD2-CZ3 3.95Å; L594-W664 HydrophobicContact CD1-CH2 3.49Å; L594-W664 VanDerWaalsContact CD1-CH2 3.49Å; L594-W664 HydrophobicContact CD1-CZ2 4.38Å; L594-W664 HydrophobicContact CD1-CZ3 3.8Å; L594-W664 HydrophobicContact CD2-CZ3 4.39Å; L598-W664 HydrophobicContact CD2-CZ2 4.42Å; S637-W664 WeakPolarHBondContact OG-CB 3.2Å; S637-W664 PolarHBondContact OG-N 2.83Å; L641-W664 HydrophobicContact CD2-CB 4.27Å; L641-W664 HydrophobicContact CD2-CD2 4.31Å; L641-W664 HydrophobicContact CD2-CE3 3.58Å; L641-W664 HydrophobicContact CD2-CZ3 4.3Å; H662-W664 VanDerWaalsContact C-N 3.31Å; H662-W664 WeakPolarHBondContact ND1-CB 3.24Å; H662-W664 PolarHBondContact ND1-N 3.15Å; H662-W664 VanDerWaalsContact ND1-N 3.14Å; H662-W664 PolarHBondContact O-N 2.87Å; W664-L671 VanDerWaalsContact CD1-CD2 3.4Å; W664-L671 HydrophobicContact CD2-CD1 4.23Å; W664-L671 HydrophobicContact CG-CD1 4.38Å; W664-L671 HydrophobicContact CG-CD2 4.27Å; W664-L671 HydrophobicContact CZ2-CD1 4.24Å; W664-L671 WeakPolarHBondContact O-CD1 3.38Å
665	I	94.1	Very high	88.5	Confident	4 Å²	4	65.3 Å²	65.3	2%	0.021	34%	0.335	C	S	.	.	H	α-helix	trans	-88.5	-47.1	177.6	-66.7	-64.7	0	0	0	111	L506 Y507 L641 V659 H662 S663 K668	L506-I665 HydrophobicContact CB-CD1 4.37Å; L506-I665 HydrophobicContact CD2-CD1 4.12Å; L506-I665 HydrophobicContact CG-CD1 4.31Å; Y507-I665 HydrophobicContact CD2-CG2 3.57Å; Y507-I665 HydrophobicContact CE2-CG2 4.43Å; Y507-I665 HydrophobicContact CG-CG2 4.39Å; L641-I665 HydrophobicContact CD2-CD1 4.41Å; L641-I665 HydrophobicContact CD2-CG1 4.04Å; V659-I665 WeakPolarHBondContact O-CG1 3.48Å; H662-I665 PolarHBondContact O-N 2.92Å; S663-I665 PolarHBondContact O-N 2.97Å; I665-K668 PolarHBondContact O-N 2.98Å
666	T	91.1	Very high	87.7	Confident	84 Å²	84	62.5 Å²	62.5	52%	0.515	32%	0.317	S	S	.	.	H	α-helix	trans	-71	-32	-176.2	51.1	0	0	0	0	112.9	L660 H662 S663	L660-T666 WeakPolarHBondContact O-CG2 3.43Å; H662-T666 PolarHBondContact O-N 3.43Å; H662-T666 PolarHBondContact O-OG1 2.9Å; S663-T666 WeakPolarHBondContact CA-OG1 3.22Å; S663-T666 PolarHBondContact O-N 3.33Å; S663-T666 PolarHBondContact O-OG1 3.41Å
667	C	87.8	Confident	86.6	Confident	57 Å²	57	67.6 Å²	67.6	39%	0.385	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	30.2	178.3	-60.7	0	0	0	0	112.8	S663 D669 N670	S663-C667 WeakPolarHBondContact O-CB 3.43Å; S663-C667 PolarHBondContact O-N 3.1Å; C667-D669 PolarHBondContact O-N 3.06Å; C667-D669 VanDerWaalsContact O-N 3.1Å; C667-N670 WeakPolarHBondContact O-CB 3.34Å; C667-N670 PolarHBondContact O-N 2.98Å
668	K	82.5	Confident	85.4	Confident	62 Å²	62	65.2 Å²	65.2	27%	0.27	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-55.5	-30.3	-175.8	68.1	-177.5	-179.6	-177.7	0	114.3	R500 S503 I665 N670 L671	R500-K668 WeakPolarHBondContact CG-O 3.42Å; R500-K668 PolarHBondContact NE-O 3.2Å; S503-K668 WeakPolarHBondContact OG-CB 3.41Å; I665-K668 PolarHBondContact O-N 2.98Å; K668-N670 PolarHBondContact O-N 2.87Å; K668-L671 HydrophobicContact CB-CD1 4.3Å; K668-L671 WeakPolarHBondContact O-CB 3.38Å; K668-L671 PolarHBondContact O-N 3.27Å
669	D	82.7	Confident	83.7	Confident	104 Å²	104	67.2 Å²	67.2	56%	0.556	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-71.5	-14.4	177.4	-60.9	-42.5	0	0	0	112.9	R500 C667	R500-D669 PolarHBondContact NH2-O 3.12Å; C667-D669 PolarHBondContact O-N 3.06Å; C667-D669 VanDerWaalsContact O-N 3.1Å
670	N	83.6	Confident	81.8	Confident	138 Å²	138	75.5 Å²	75.5	74%	0.738	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-97.8	-0.8	175.4	-60.4	-29.4	0	0	0	112.5	C667 K668	C667-N670 WeakPolarHBondContact O-CB 3.34Å; C667-N670 PolarHBondContact O-N 2.98Å; K668-N670 PolarHBondContact O-N 2.87Å
671	L	83.6	Confident	80.3	Confident	17 Å²	17	75.1 Å²	75.1	9%	0.089	39%	0.389	C	S	.	.	S	Bend	trans	-72.5	149.1	-179.2	-69.3	178.1	0	0	0	112.2	E499 R500 S503 W664 K668	E499-L671 HydrophobicContact CB-CB 4.49Å; R500-L671 HydrophobicContact CB-CB 4.22Å; S503-L671 VanDerWaalsContact CB-CD1 3.47Å; W664-L671 VanDerWaalsContact CD1-CD2 3.4Å; W664-L671 HydrophobicContact CD2-CD1 4.23Å; W664-L671 HydrophobicContact CG-CD1 4.38Å; W664-L671 HydrophobicContact CG-CD2 4.27Å; W664-L671 HydrophobicContact CZ2-CD1 4.24Å; W664-L671 WeakPolarHBondContact O-CD1 3.38Å; K668-L671 HydrophobicContact CB-CD1 4.3Å; K668-L671 WeakPolarHBondContact O-CB 3.38Å; K668-L671 PolarHBondContact O-N 3.27Å
672	P	77.1	Confident	79.1	Confident	31 Å²	31	70.3 Å²	70.3	20%	0.201	37%	0.372	C	S	.	.			trans	-63.5	143.7	-179.9	23.9	-31.9	0	0	0	112.4	E499 F674	E499-P672 HydrophobicContact CB-CG 4.38Å; E499-P672 WeakPolarHBondContact OE1-CG 3.48Å; P672-F674 HydrophobicContact CB-CB 4.41Å; P672-F674 HydrophobicContact CB-CD2 3.18Å; P672-F674 HydrophobicContact CB-CE2 3.47Å; P672-F674 VanDerWaalsContact CB-CE2 3.47Å; P672-F674 HydrophobicContact CB-CG 3.93Å; P672-F674 HydrophobicContact CB-CZ 4.44Å; P672-F674 HydrophobicContact CG-CD2 3.93Å; P672-F674 HydrophobicContact CG-CE2 4.34Å; P672-F674 PolarHBondContact O-N 3.06Å
673	H	74.6	Confident	78	Confident	120 Å²	120	75.8 Å²	75.8	56%	0.556	40%	0.398	S	S	*	.			trans	-87.6	17.6	169	-70.9	-73.1	0	0	0	112.6	R500 Q675	R500-H673 PolarHBondContact NE-CE1 2.95Å; R500-H673 PolarHBondContact NH1-CE1 3.03Å; R500-H673 VanDerWaalsContact NH1-CE1 3.29Å; R500-H673 PolarHBondContact NH1-NE2 2.88Å; R500-H673 PolarHBondContact NH2-NE2 3.02Å; H673-Q675 PolarHBondContact O-N 3.11Å
674	F	73.1	Confident	77.2	Confident	135 Å²	135	77 Å²	77	59%	0.592	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-60.3	138.8	179.1	-61.8	-50.7	0	0	0	110.3	P672	P672-F674 HydrophobicContact CB-CB 4.41Å; P672-F674 HydrophobicContact CB-CD2 3.18Å; P672-F674 HydrophobicContact CB-CE2 3.47Å; P672-F674 VanDerWaalsContact CB-CE2 3.47Å; P672-F674 HydrophobicContact CB-CG 3.93Å; P672-F674 HydrophobicContact CB-CZ 4.44Å; P672-F674 HydrophobicContact CG-CD2 3.93Å; P672-F674 HydrophobicContact CG-CE2 4.34Å; P672-F674 PolarHBondContact O-N 3.06Å
675	Q	73.9	Confident	76.4	Confident	125 Å²	125	77.5 Å²	77.5	58%	0.584	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-84.2	120.5	-176.6	-65.6	178.4	-3	0	0	109.4	F496 H673	F496-Q675 HydrophobicContact CD1-CG 3.97Å; F496-Q675 VanDerWaalsContact CD1-OE1 3.25Å; F496-Q675 VanDerWaalsContact CE1-OE1 3.26Å; H673-Q675 PolarHBondContact O-N 3.11Å
676	L	77.9	Confident	75.5	Confident	8 Å²	8	80.7 Å²	80.7	4%	0.042	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-77.6	125.9	175.5	-61.6	167	0	0	0	109.5	F497 L598 N630 V634	F497-L676 HydrophobicContact CD1-CD1 4.13Å; F497-L676 WeakPolarHBondContact O-CB 3.23Å; F497-L676 WeakPolarHBondContact O-CG 3.38Å; F497-L676 PolarHBondContact O-N 3.45Å; F497-L676 VanDerWaalsContact O-N 3.07Å; L598-L676 HydrophobicContact CD2-CD1 4.01Å; N630-L676 HydrophobicContact CB-CD2 3.87Å; V634-L676 HydrophobicContact CG2-CD2 3.6Å
677	T	69.8	Low	74.8	Confident	109 Å²	109	77.7 Å²	77.7	67%	0.669	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-70.7	132.6	176.6	-8.6	0	0	0	0	109.8	N630	N630-T677 PolarHBondContact ND2-O 3.19Å; N630-T677 WeakPolarHBondContact OD1-CB 3.38Å; N630-T677 PolarHBondContact OD1-N 2.79Å; N630-T677 PolarHBondContact OD1-O 3.12Å; N630-T677 PolarHBondContact OD1-OG1 3.24Å
678	R	69.4	Low	74.4	Confident	45 Å²	45	75.2 Å²	75.2	17%	0.17	39%	0.385	C	S	.	.			trans	-115	145.3	179.1	-62.3	-151	-179.7	-111.4	-8.2	112.1	I491 L492 F497 M597	I491-R678 PolarHBondContact O-NE 2.84Å; L492-R678 VanDerWaalsContact CD2-NH1 3.26Å; F497-R678 VanDerWaalsContact CG-NH2 3.28Å; M597-R678 PolarHBondContact O-NH2 2.78Å
679	H	60.6	Low	74.1	Confident	131 Å²	131	72.4 Å²	72.4	61%	0.606	37%	0.374	S	S	*	.			trans	-72.2	141.9	173	-74.4	-71.9	0	0	0	111.4	A681	H679-A681 PolarHBondContact O-N 2.88Å
680	D	57.3	Low	73.8	Confident	173 Å²	173	70.3 Å²	70.3	93%	0.925	37%	0.371	S	S	*	.	S	Bend	trans	-69.3	17.6	-178.8	-72.7	-40.5	0	0	0	115.3
681	A	65.8	Low	73.4	Confident	21 Å²	21	64.7 Å²	64.7	17%	0.174	34%	0.343	C	S	.	.			trans	-137.9	69.9	-176.4	0	0	0	0	0	114.4	H679 H683 L684	H679-A681 PolarHBondContact O-N 2.88Å; A681-H683 PolarHBondContact O-N 3.03Å; A681-H683 VanDerWaalsContact O-N 3.12Å; A681-L684 HydrophobicContact CB-CB 4.36Å; A681-L684 HydrophobicContact CB-CD1 3.7Å; A681-L684 HydrophobicContact CB-CG 4Å; A681-L684 PolarHBondContact O-N 3.35Å; A681-L684 VanDerWaalsContact O-N 3.1Å
682	P	70.5	Confident	72.8	Confident	38 Å²	38	63.9 Å²	63.9	25%	0.247	34%	0.339	C	S	.	.	H	α-helix	trans	-54.3	-32.2	178.6	-27.3	35	0	0	0	114.8	L492 L684 V685 K686	L492-P682 HydrophobicContact CB-CB 3.99Å; L492-P682 HydrophobicContact CB-CG 4.24Å; L492-P682 HydrophobicContact CD1-CB 4.02Å; P682-L684 VanDerWaalsContact C-N 3.35Å; P682-L684 PolarHBondContact O-N 3.46Å; P682-V685 PolarHBondContact O-N 3.44Å; P682-K686 PolarHBondContact O-N 3.09Å; P682-K686 VanDerWaalsContact O-N 3.09Å
683	H	74.1	Confident	72.6	Confident	132 Å²	132	63.7 Å²	63.7	61%	0.611	34%	0.335	S	S	*	.	H	α-helix	trans	-66.4	-32.5	-179.8	68.2	-82.5	0	0	0	113.2	A681 G687	A681-H683 PolarHBondContact O-N 3.03Å; A681-H683 VanDerWaalsContact O-N 3.12Å; H683-G687 PolarHBondContact O-N 2.76Å
684	L	76.7	Confident	72.4	Confident	82 Å²	82	60.6 Å²	60.6	43%	0.429	33%	0.326	S	S	.	.	H	α-helix	trans	-70.2	-40.6	177.4	-66.7	177.8	0	0	0	111	P608 A681 P682 K686 G687 A688	P608-L684 HydrophobicContact CG-CD2 4.26Å; A681-L684 HydrophobicContact CB-CB 4.36Å; A681-L684 HydrophobicContact CB-CD1 3.7Å; A681-L684 HydrophobicContact CB-CG 4Å; A681-L684 PolarHBondContact O-N 3.35Å; A681-L684 VanDerWaalsContact O-N 3.1Å; P682-L684 VanDerWaalsContact C-N 3.35Å; P682-L684 PolarHBondContact O-N 3.46Å; L684-K686 VanDerWaalsContact C-N 3.34Å; L684-G687 PolarHBondContact O-N 2.95Å; L684-A688 WeakPolarHBondContact O-CB 3.36Å; L684-A688 PolarHBondContact O-N 3.11Å
685	V	78.1	Confident	72.1	Confident	12 Å²	12	54.1 Å²	54.1	7%	0.073	30%	0.298	C	S	.	.	H	α-helix	trans	-62	-45	175.7	-176.9	0	0	0	0	110.1	L492 T596 G600 T602 P682 G687 A688 M689	L492-V685 HydrophobicContact CD1-CB 4.16Å; L492-V685 HydrophobicContact CD1-CG1 4.19Å; T596-V685 HydrophobicContact CG2-CG1 3.56Å; G600-V685 WeakPolarHBondContact O-CG2 3.27Å; T602-V685 HydrophobicContact CG2-CG1 4.42Å; P682-V685 PolarHBondContact O-N 3.44Å; V685-G687 PolarHBondContact O-N 3.5Å; V685-A688 PolarHBondContact O-N 3.23Å; V685-M689 VanDerWaalsContact O-CB 3.3Å; V685-M689 WeakPolarHBondContact O-CB 3.5Å; V685-M689 PolarHBondContact O-N 2.98Å
686	K	76.2	Confident	71.6	Confident	70 Å²	70	50.9 Å²	50.9	30%	0.304	28%	0.284	S	S	.	.	H	α-helix	trans	-61	-45.1	176.5	-169.5	171.2	-171.6	167.2	0	112	E486 D489 P682 L684 M689 A690	E486-K686 IonicContact OE1-NZ 3.36Å; E486-K686 PolarHBondContact OE1-NZ 3.14Å; E486-K686 WeakPolarHBondContact OE2-CE 3.3Å; E486-K686 IonicContact OE2-NZ 2.77Å; E486-K686 PolarHBondContact OE2-NZ 3.29Å; D489-K686 IonicContact OD1-NZ 2.6Å; D489-K686 IonicContact OD2-NZ 3.79Å; D489-K686 PolarHBondContact OD2-NZ 3.31Å; P682-K686 PolarHBondContact O-N 3.09Å; P682-K686 VanDerWaalsContact O-N 3.09Å; L684-K686 VanDerWaalsContact C-N 3.34Å; K686-M689 PolarHBondContact O-N 3.46Å; K686-A690 WeakPolarHBondContact O-CB 3.18Å; K686-A690 PolarHBondContact O-N 2.97Å
687	G	75.9	Confident	70.5	Confident	22 Å²	22	53.9 Å²	53.9	23%	0.227	31%	0.306	C	S	.	.	H	α-helix	trans	-63	-44.3	176.8	0	0	0	0	0	113.2	H683 L684 V685 M689 A690 A691	H683-G687 PolarHBondContact O-N 2.76Å; L684-G687 PolarHBondContact O-N 2.95Å; V685-G687 PolarHBondContact O-N 3.5Å; G687-M689 VanDerWaalsContact C-N 3.31Å; G687-M689 PolarHBondContact O-N 3.14Å; G687-A690 PolarHBondContact O-N 3.39Å; G687-A691 WeakPolarHBondContact O-CB 3.28Å; G687-A691 PolarHBondContact O-N 3.21Å
688	A	78.1	Confident	69.6	Low	4 Å²	4	54 Å²	54	3%	0.033	30%	0.299	C	S	.	.	H	α-helix	trans	-63.1	-37.4	175.4	0	0	0	0	0	112.2	T602 A605 L684 V685 A691 T692	T602-A688 HydrophobicContact CG2-CB 4.31Å; T602-A688 WeakPolarHBondContact OG1-CB 3.3Å; A605-A688 HydrophobicContact CB-CB 3.82Å; A605-A688 WeakPolarHBondContact CB-O 3.38Å; L684-A688 WeakPolarHBondContact O-CB 3.36Å; L684-A688 PolarHBondContact O-N 3.11Å; V685-A688 PolarHBondContact O-N 3.23Å; A688-A691 PolarHBondContact O-N 3.39Å; A688-T692 PolarHBondContact O-N 3.17Å; A688-T692 PolarHBondContact O-OG1 3.43Å
689	M	77.6	Confident	68.1	Low	4 Å²	4	59.4 Å²	59.4	2%	0.02	32%	0.323	C	S	.	.	H	α-helix	trans	-69.3	-45.6	177.5	-157.1	155.7	-154.8	0	0	111.5	L488 P528 V592 T596 T602 V685 K686 G687 A691 T692 Y693	L488-M689 HydrophobicContact CD2-SD 3.43Å; L488-M689 WeakPolarHBondContact CD2-SD 3.22Å; P528-M689 HydrophobicContact CG-CE 3.59Å; P528-M689 HydrophobicContact CG-CG 4.17Å; P528-M689 HydrophobicContact CG-SD 3.37Å; P528-M689 WeakPolarHBondContact CG-SD 3.41Å; V592-M689 HydrophobicContact CG1-CE 3.84Å; T596-M689 HydrophobicContact CG2-CE 4.13Å; T596-M689 HydrophobicContact CG2-SD 4.06Å; T596-M689 VanDerWaalsContact OG1-CE 3.25Å; T596-M689 WeakPolarHBondContact OG1-CE 3.27Å; T602-M689 HydrophobicContact CG2-CB 3.73Å; T602-M689 HydrophobicContact CG2-CG 4.03Å; T602-M689 HydrophobicContact CG2-SD 4.26Å; V685-M689 VanDerWaalsContact O-CB 3.3Å; V685-M689 WeakPolarHBondContact O-CB 3.5Å; V685-M689 PolarHBondContact O-N 2.98Å; K686-M689 PolarHBondContact O-N 3.46Å; G687-M689 VanDerWaalsContact C-N 3.31Å; G687-M689 PolarHBondContact O-N 3.14Å; M689-A691 VanDerWaalsContact C-N 3.31Å; M689-A691 PolarHBondContact O-N 3.19Å; M689-T692 WeakPolarHBondContact O-CB 3.34Å; M689-T692 PolarHBondContact O-N 3.17Å; M689-T692 VanDerWaalsContact O-N 3.12Å; M689-Y693 HydrophobicContact CE-CE2 4.42Å; M689-Y693 HydrophobicContact CG-CD2 4.08Å; M689-Y693 HydrophobicContact CG-CE2 3.74Å; M689-Y693 WeakPolarHBondContact O-CD2 3.45Å; M689-Y693 PolarHBondContact O-N 2.68Å
690	A	75.6	Confident	67.1	Low	60 Å²	60	56.1 Å²	56.1	50%	0.496	31%	0.313	S	S	.	.	H	α-helix	trans	-59	-42.1	173.3	0	0	0	0	0	111.8	K686 G687 T692 Y693 S694	K686-A690 WeakPolarHBondContact O-CB 3.18Å; K686-A690 PolarHBondContact O-N 2.97Å; G687-A690 PolarHBondContact O-N 3.39Å; A690-T692 VanDerWaalsContact C-N 3.32Å; A690-T692 PolarHBondContact O-N 2.88Å; A690-Y693 PolarHBondContact O-N 2.92Å; A690-S694 VanDerWaalsContact O-CB 3.24Å; A690-S694 WeakPolarHBondContact O-CB 3.35Å; A690-S694 PolarHBondContact O-N 3.04Å
691	A	74.7	Confident	65.9	Low	19 Å²	19	53.2 Å²	53.2	16%	0.157	31%	0.306	C	S	.	.	H	α-helix	trans	-60.7	-40.7	174.2	0	0	0	0	0	111.9	I615 G687 A688 M689 S694 A695	I615-A691 HydrophobicContact CD1-CB 3.83Å; G687-A691 WeakPolarHBondContact O-CB 3.28Å; G687-A691 PolarHBondContact O-N 3.21Å; A688-A691 PolarHBondContact O-N 3.39Å; M689-A691 VanDerWaalsContact C-N 3.31Å; M689-A691 PolarHBondContact O-N 3.19Å; A691-S694 PolarHBondContact O-N 3.34Å; A691-A695 WeakPolarHBondContact O-CB 3.19Å; A691-A695 PolarHBondContact O-N 2.95Å
692	T	73	Confident	64.4	Low	1 Å²	1	59.1 Å²	59.1	1%	0.006	33%	0.33	C	S	.	.	H	α-helix	trans	-62.2	-48.9	176.9	-55.6	0	0	0	0	112.3	A605 I615 I619 A688 M689 A690 A695 L696	A605-T692 WeakPolarHBondContact CB-OG1 3.44Å; I615-T692 HydrophobicContact CG2-CG2 4.19Å; I619-T692 HydrophobicContact CD1-CG2 4.34Å; A688-T692 PolarHBondContact O-N 3.17Å; A688-T692 PolarHBondContact O-OG1 3.43Å; M689-T692 WeakPolarHBondContact O-CB 3.34Å; M689-T692 PolarHBondContact O-N 3.17Å; M689-T692 VanDerWaalsContact O-N 3.12Å; A690-T692 VanDerWaalsContact C-N 3.32Å; A690-T692 PolarHBondContact O-N 2.88Å; T692-A695 PolarHBondContact O-N 3.42Å; T692-L696 HydrophobicContact CG2-CD1 4.49Å; T692-L696 WeakPolarHBondContact O-CG 3.27Å; T692-L696 PolarHBondContact O-N 3.4Å; T692-L696 VanDerWaalsContact O-N 3.15Å
693	Y	72.7	Confident	62.6	Low	27 Å²	27	62.1 Å²	62.1	11%	0.106	35%	0.349	C	S	.	.	H	α-helix	trans	-67.6	-36.8	177.4	-74.8	-75.4	0	0	0	112.3	L526 K527 S589 M689 A690 L696 S697	L526-Y693 WeakPolarHBondContact O-CE1 3.18Å; L526-Y693 PolarHBondContact O-OH 3.36Å; K527-Y693 HydrophobicContact CB-CD1 4.12Å; K527-Y693 HydrophobicContact CB-CD2 3.93Å; K527-Y693 HydrophobicContact CB-CE1 4.03Å; K527-Y693 HydrophobicContact CB-CE2 3.86Å; K527-Y693 HydrophobicContact CB-CG 4.09Å; S589-Y693 PolarHBondContact O-OH 3.16Å; M689-Y693 HydrophobicContact CE-CE2 4.42Å; M689-Y693 HydrophobicContact CG-CD2 4.08Å; M689-Y693 HydrophobicContact CG-CE2 3.74Å; M689-Y693 WeakPolarHBondContact O-CD2 3.45Å; M689-Y693 PolarHBondContact O-N 2.68Å; A690-Y693 PolarHBondContact O-N 2.92Å; Y693-L696 PolarHBondContact O-N 2.87Å; Y693-S697 PolarHBondContact O-N 3.42Å; Y693-S697 VanDerWaalsContact O-N 3.09Å
694	S	69.3	Low	60.6	Low	54 Å²	54	62.4 Å²	62.4	38%	0.378	36%	0.36	S	S	.	.	H	α-helix	trans	-62	-44.8	174.3	-175.5	0	0	0	0	111.5	A690 A691 L696 S697 Q698	A690-S694 VanDerWaalsContact O-CB 3.24Å; A690-S694 WeakPolarHBondContact O-CB 3.35Å; A690-S694 PolarHBondContact O-N 3.04Å; A691-S694 PolarHBondContact O-N 3.34Å; S694-L696 VanDerWaalsContact C-N 3.32Å; S694-L696 PolarHBondContact O-N 3.05Å; S694-S697 PolarHBondContact O-N 2.92Å; S694-S697 VanDerWaalsContact O-N 3.11Å; S694-S697 PolarHBondContact O-OG 3.37Å; S694-Q698 PolarHBondContact O-N 3.02Å
695	A	66.5	Low	58.8	Low	0 Å²	0	66 Å²	66	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-62.2	-39.2	177.9	0	0	0	0	0	112.4	P612 I615 L616 A691 T692 S697 Q698	P612-A695 HydrophobicContact CB-CB 3.84Å; I615-A695 HydrophobicContact CB-CB 4.22Å; I615-A695 HydrophobicContact CD1-CB 4.44Å; I615-A695 HydrophobicContact CG2-CB 4.29Å; L616-A695 HydrophobicContact CG-CB 4.24Å; A691-A695 WeakPolarHBondContact O-CB 3.19Å; A691-A695 PolarHBondContact O-N 2.95Å; T692-A695 PolarHBondContact O-N 3.42Å; A695-S697 VanDerWaalsContact C-N 3.3Å; A695-S697 PolarHBondContact O-N 3.2Å; A695-Q698 PolarHBondContact O-N 3.13Å
696	L	63.9	Low	56.8	Low	57 Å²	57	72.7 Å²	72.7	30%	0.298	41%	0.409	S	S	.	.	H	α-helix	trans	-64.2	-33.7	174.2	-72.9	168.5	0	0	0	112.5	L616 I619 T692 Y693 S694	L616-L696 HydrophobicContact CD2-CD2 4.46Å; I619-L696 HydrophobicContact CD1-CD2 3.94Å; I619-L696 HydrophobicContact CD1-CG 4.19Å; T692-L696 HydrophobicContact CG2-CD1 4.49Å; T692-L696 WeakPolarHBondContact O-CG 3.27Å; T692-L696 PolarHBondContact O-N 3.4Å; T692-L696 VanDerWaalsContact O-N 3.15Å; Y693-L696 PolarHBondContact O-N 2.87Å; S694-L696 VanDerWaalsContact C-N 3.32Å; S694-L696 PolarHBondContact O-N 3.05Å
697	S	54.2	Low	55.2	Low	70 Å²	70	74.1 Å²	74.1	49%	0.49	43%	0.426	S	S	.	.	H	α-helix	trans	-76.7	-25.3	179.3	73.5	0	0	0	0	114.6	Y693 S694 A695 K699 T700	Y693-S697 PolarHBondContact O-N 3.42Å; Y693-S697 VanDerWaalsContact O-N 3.09Å; S694-S697 PolarHBondContact O-N 2.92Å; S694-S697 VanDerWaalsContact O-N 3.11Å; S694-S697 PolarHBondContact O-OG 3.37Å; A695-S697 VanDerWaalsContact C-N 3.3Å; A695-S697 PolarHBondContact O-N 3.2Å; S697-K699 PolarHBondContact O-N 3.23Å; S697-T700 PolarHBondContact O-OG1 2.95Å
698	Q	51.9	Low	53.4	Low	113 Å²	113	76.5 Å²	76.5	53%	0.528	44%	0.436	S	S	.	.	H	α-helix	trans	-74.1	-23.9	-176.6	-78.9	-179.9	-7.4	0	0	114.3	S694 A695 T700	S694-Q698 PolarHBondContact O-N 3.02Å; A695-Q698 PolarHBondContact O-N 3.13Å; Q698-T700 VanDerWaalsContact C-N 3.33Å; Q698-T700 PolarHBondContact O-N 3.44Å
699	K	37.8	Very low	51.7	Low	157 Å²	157	79.9 Å²	79.9	68%	0.683	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-8.6	179.5	-105.2	-173.5	179	177.9	0	114.7	L616 S697 S701	L616-K699 HydrophobicContact CD1-CD 3.96Å; L616-K699 HydrophobicContact CD1-CG 4.12Å; L616-K699 HydrophobicContact CD2-CD 4.37Å; S697-K699 PolarHBondContact O-N 3.23Å; K699-S701 PolarHBondContact O-N 3.42Å
700	T	39.6	Very low	49.9	Very low	63 Å²	63	81.5 Å²	81.5	39%	0.387	48%	0.478	S	S	.	.			trans	-91.5	83.7	171.2	56.6	0	0	0	0	109.5	S697 Q698 Q702	S697-T700 PolarHBondContact O-OG1 2.95Å; Q698-T700 VanDerWaalsContact C-N 3.33Å; Q698-T700 PolarHBondContact O-N 3.44Å; T700-Q702 PolarHBondContact O-N 3.08Å
701	S	31.1	Very low	48.4	Very low	112 Å²	112	79.6 Å²	79.6	78%	0.783	46%	0.461	S	S	*	.			trans	-58.3	92.6	154.9	23.8	0	0	0	0	107.3	K699	K699-S701 PolarHBondContact O-N 3.42Å
702	Q	35.9	Very low	46.8	Very low	144 Å²	144	80.6 Å²	80.6	67%	0.673	47%	0.467	S	S	*	.			trans	-66.9	129.3	173	-68.6	-174.2	-9.3	0	0	107.3	T700 V704	T700-Q702 PolarHBondContact O-N 3.08Å; Q702-V704 PolarHBondContact O-N 3.27Å
703	P	31.1	Very low	45.5	Very low	101 Å²	101	81.2 Å²	81.2	66%	0.656	47%	0.47	S	S	*	.			trans	-58.8	130.3	160	25	-29.1	0	0	0	107	L705	P703-L705 PolarHBondContact O-N 3.04Å
704	V	33	Very low	44.2	Very low	139 Å²	139	81.2 Å²	81.2	84%	0.842	48%	0.475	S	S	*	.			trans	-62.5	104.3	174.1	177.9	0	0	0	0	106.8	Q702	Q702-V704 PolarHBondContact O-N 3.27Å
705	L	39.1	Very low	43.2	Very low	157 Å²	157	82.9 Å²	82.9	82%	0.822	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-75	124.4	173.3	-68.8	170.4	0	0	0	107.9	P703	P703-L705 PolarHBondContact O-N 3.04Å
706	E	35.6	Very low	42.7	Very low	152 Å²	152	86 Å²	86	71%	0.71	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-70.4	155.3	173.1	-67.6	-166.3	165.3	0	0	110.9	A710	E706-A710 HydrophobicContact CB-CB 4.07Å
707	P	42.9	Very low	41.9	Very low	100 Å²	100	86.3 Å²	86.3	65%	0.649	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-53.9	144	176.5	-24.3	33.4	0	0	0	111.9	A709 A710	P707-A709 PolarHBondContact O-N 3.26Å; P707-A710 VanDerWaalsContact O-CB 3.29Å; P707-A710 WeakPolarHBondContact O-CB 3.29Å; P707-A710 PolarHBondContact O-N 3.36Å
708	V	38.5	Very low	41.7	Very low	72 Å²	72	85.8 Å²	85.8	44%	0.436	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-50.5	-30.1	179.8	178.2	0	0	0	0	113.1	S147 A710 S711 A714	S147-V708 VanDerWaalsContact O-CG1 3.32Å; S147-V708 WeakPolarHBondContact O-CG1 3.46Å; V708-A710 PolarHBondContact O-N 2.87Å; V708-S711 VanDerWaalsContact O-CB 3.31Å; V708-S711 WeakPolarHBondContact O-CB 3.22Å; V708-S711 PolarHBondContact O-N 3.32Å; V708-S711 PolarHBondContact O-OG 3.41Å; V708-A714 WeakPolarHBondContact O-CB 3.26Å
709	A	42.7	Very low	41.5	Very low	75 Å²	75	86.2 Å²	86.2	62%	0.62	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-63.3	-22.2	175.9	0	0	0	0	0	114.8	P707 S711	P707-A709 PolarHBondContact O-N 3.26Å; A709-S711 PolarHBondContact O-N 2.83Å
710	A	39.1	Very low	41.9	Very low	39 Å²	39	83.4 Å²	83.4	32%	0.322	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-76.3	-10.8	176.9	0	0	0	0	0	112.9	E706 P707 V708 S712 Q715	E706-A710 HydrophobicContact CB-CB 4.07Å; P707-A710 VanDerWaalsContact O-CB 3.29Å; P707-A710 WeakPolarHBondContact O-CB 3.29Å; P707-A710 PolarHBondContact O-N 3.36Å; V708-A710 PolarHBondContact O-N 2.87Å; A710-S712 PolarHBondContact O-N 3.39Å; A710-Q715 PolarHBondContact O-NE2 2.99Å
711	S	44.3	Very low	42	Very low	19 Å²	19	84.2 Å²	84.2	13%	0.133	47%	0.472	C	S	.	.	S	Bend	trans	-66.5	131.7	176.4	75	0	0	0	0	111.3	Y566 V708 A709 L713 A714 Q715	Y566-S711 VanDerWaalsContact OH-CA 3.23Å; Y566-S711 WeakPolarHBondContact OH-CA 3.49Å; Y566-S711 VanDerWaalsContact OH-CB 3.23Å; Y566-S711 WeakPolarHBondContact OH-CB 3.06Å; V708-S711 VanDerWaalsContact O-CB 3.31Å; V708-S711 WeakPolarHBondContact O-CB 3.22Å; V708-S711 PolarHBondContact O-N 3.32Å; V708-S711 PolarHBondContact O-OG 3.41Å; A709-S711 PolarHBondContact O-N 2.83Å; S711-L713 PolarHBondContact O-N 3.49Å; S711-A714 PolarHBondContact O-N 3.01Å; S711-A714 VanDerWaalsContact OG-CB 3.22Å; S711-A714 WeakPolarHBondContact OG-CB 3.36Å; S711-A714 PolarHBondContact OG-N 3.24Å; S711-A714 VanDerWaalsContact OG-N 3.14Å; S711-Q715 WeakPolarHBondContact O-CG 3.28Å; S711-Q715 PolarHBondContact O-N 3.24Å
712	S	41.3	Very low	42	Very low	40 Å²	40	84.7 Å²	84.7	28%	0.28	47%	0.465	S	S	.	.	H	α-helix	trans	-43.6	-25.4	165	77.8	0	0	0	0	115.4	Y566 A710 R716	Y566-S712 VanDerWaalsContact CE1-OG 3.3Å; Y566-S712 WeakPolarHBondContact CE1-OG 3.21Å; Y566-S712 WeakPolarHBondContact OH-CA 3.41Å; Y566-S712 WeakPolarHBondContact OH-CB 3.41Å; Y566-S712 PolarHBondContact OH-N 2.88Å; Y566-S712 PolarHBondContact OH-OG 3.09Å; A710-S712 PolarHBondContact O-N 3.39Å; S712-R716 WeakPolarHBondContact O-CB 3.43Å; S712-R716 WeakPolarHBondContact O-CG 3.47Å; S712-R716 PolarHBondContact O-N 3.27Å; S712-R716 VanDerWaalsContact O-N 3.08Å; S712-R716 PolarHBondContact O-NE 3.13Å
713	L	44.7	Very low	41.9	Very low	15 Å²	15	82.9 Å²	82.9	8%	0.079	46%	0.464	C	S	.	.	H	α-helix	trans	-75.7	-50.3	174.9	-158.5	69.3	0	0	0	111.4	F143 Y566 S711 Q715 R716 R717	F143-L713 HydrophobicContact CE1-CD1 3.85Å; F143-L713 HydrophobicContact CE1-CD2 3.76Å; F143-L713 HydrophobicContact CE1-CG 3.58Å; F143-L713 HydrophobicContact CE2-CD1 4.26Å; F143-L713 HydrophobicContact CE2-CD2 4.2Å; F143-L713 HydrophobicContact CZ-CD1 3.29Å; F143-L713 HydrophobicContact CZ-CD2 3.58Å; F143-L713 HydrophobicContact CZ-CG 3.5Å; Y566-L713 PolarHBondContact OH-N 3.5Å; S711-L713 PolarHBondContact O-N 3.49Å; L713-Q715 VanDerWaalsContact C-N 3.31Å; L713-Q715 PolarHBondContact O-N 3.46Å; L713-R716 PolarHBondContact O-N 2.74Å; L713-R717 PolarHBondContact O-N 3.49Å
714	A	44.9	Very low	42.1	Very low	26 Å²	26	81.6 Å²	81.6	22%	0.215	46%	0.457	C	S	.	.	H	α-helix	trans	-63.6	-37.7	173.4	0	0	0	0	0	111.6	V708 S711 R717 S718	V708-A714 WeakPolarHBondContact O-CB 3.26Å; S711-A714 PolarHBondContact O-N 3.01Å; S711-A714 VanDerWaalsContact OG-CB 3.22Å; S711-A714 WeakPolarHBondContact OG-CB 3.36Å; S711-A714 PolarHBondContact OG-N 3.24Å; S711-A714 VanDerWaalsContact OG-N 3.14Å; A714-R717 PolarHBondContact O-N 2.79Å; A714-S718 PolarHBondContact O-N 3.25Å
715	Q	49.7	Very low	41.8	Very low	89 Å²	89	80.3 Å²	80.3	42%	0.416	45%	0.45	S	S	.	.	H	α-helix	trans	-64.2	-37.2	174	-70	176	-6.6	0	0	112.4	A710 S711 L713 S718 M719	A710-Q715 PolarHBondContact O-NE2 2.99Å; S711-Q715 WeakPolarHBondContact O-CG 3.28Å; S711-Q715 PolarHBondContact O-N 3.24Å; L713-Q715 VanDerWaalsContact C-N 3.31Å; L713-Q715 PolarHBondContact O-N 3.46Å; Q715-S718 WeakPolarHBondContact CA-OG 3.26Å; Q715-S718 PolarHBondContact O-N 3.14Å; Q715-S718 PolarHBondContact O-OG 3.41Å; Q715-M719 WeakPolarHBondContact O-CB 3.31Å; Q715-M719 VanDerWaalsContact O-CG 3.26Å; Q715-M719 WeakPolarHBondContact O-CG 3.3Å; Q715-M719 PolarHBondContact O-N 3.24Å
716	R	55	Low	41.2	Very low	65 Å²	65	79.4 Å²	79.4	25%	0.245	45%	0.446	C	S	.	.	H	α-helix	trans	-67.6	-36.2	174.9	-87.9	-177.6	-81.3	178.2	-7.3	112.6	S712 L713 M719 K720	S712-R716 WeakPolarHBondContact O-CB 3.43Å; S712-R716 WeakPolarHBondContact O-CG 3.47Å; S712-R716 PolarHBondContact O-N 3.27Å; S712-R716 VanDerWaalsContact O-N 3.08Å; S712-R716 PolarHBondContact O-NE 3.13Å; L713-R716 PolarHBondContact O-N 2.74Å; R716-M719 PolarHBondContact O-N 3.25Å; R716-K720 PolarHBondContact O-N 3.14Å
717	R	48.6	Very low	40.8	Very low	65 Å²	65	84.7 Å²	84.7	25%	0.245	47%	0.474	C	S	.	.	H	α-helix	trans	-66	-42.3	171.7	-71.9	-172.8	98.1	157.5	4.9	111.7	D141 F143 T144 L713 A714 M719 K720 K721	D141-R717 VanDerWaalsContact CG-NH2 3.28Å; D141-R717 IonicContact OD1-CZ 3.39Å; D141-R717 IonicContact OD1-NH1 2.92Å; D141-R717 PolarHBondContact OD1-NH1 3.29Å; D141-R717 IonicContact OD1-NH2 3.01Å; D141-R717 PolarHBondContact OD1-NH2 3.04Å; D141-R717 IonicContact OD2-NH2 2.58Å; D141-R717 PolarHBondContact OD2-NH2 3.35Å; F143-R717 HydrophobicContact CE1-CG 4.49Å; T144-R717 VanDerWaalsContact CA-NH1 3.27Å; T144-R717 VanDerWaalsContact N-NH1 3.11Å; T144-R717 PolarHBondContact OG1-NH1 2.98Å; T144-R717 PolarHBondContact OG1-NH2 3.16Å; L713-R717 PolarHBondContact O-N 3.49Å; A714-R717 PolarHBondContact O-N 2.79Å; R717-M719 VanDerWaalsContact C-N 3.35Å; R717-K720 PolarHBondContact O-N 3.46Å; R717-K721 WeakPolarHBondContact O-CG 3.41Å; R717-K721 PolarHBondContact O-N 3.28Å; R717-K721 VanDerWaalsContact O-N 3.07Å
718	S	49.8	Very low	40.7	Very low	58 Å²	58	84 Å²	84	41%	0.406	47%	0.465	S	S	.	.	H	α-helix	trans	-66.3	-35.9	176	67.5	0	0	0	0	112.5	A714 Q715 K721 L722	A714-S718 PolarHBondContact O-N 3.25Å; Q715-S718 WeakPolarHBondContact CA-OG 3.26Å; Q715-S718 PolarHBondContact O-N 3.14Å; Q715-S718 PolarHBondContact O-OG 3.41Å; S718-K721 WeakPolarHBondContact O-CB 3.49Å; S718-K721 PolarHBondContact O-N 3.11Å; S718-L722 PolarHBondContact O-N 2.65Å; S718-L722 VanDerWaalsContact O-N 3.15Å
719	M	46.7	Very low	40.8	Very low	123 Å²	123	84.6 Å²	84.6	61%	0.606	47%	0.467	S	S	*	.	H	α-helix	trans	-68.9	-38.4	174.9	-74.9	-175.3	171.5	0	0	113.2	Q715 R716 R717 K721 L722 T723	Q715-M719 WeakPolarHBondContact O-CB 3.31Å; Q715-M719 VanDerWaalsContact O-CG 3.26Å; Q715-M719 WeakPolarHBondContact O-CG 3.3Å; Q715-M719 PolarHBondContact O-N 3.24Å; R716-M719 PolarHBondContact O-N 3.25Å; R717-M719 VanDerWaalsContact C-N 3.35Å; M719-K721 VanDerWaalsContact C-N 3.27Å; M719-K721 PolarHBondContact O-N 2.9Å; M719-L722 PolarHBondContact O-N 2.99Å; M719-T723 PolarHBondContact O-N 2.8Å
720	K	45.8	Very low	40.7	Very low	98 Å²	98	85.1 Å²	85.1	43%	0.426	46%	0.458	S	S	.	.	H	α-helix	trans	-66.5	-27.6	170.9	-79.1	-175.4	-177.8	177.7	0	112.4	E184 R716 R717 T723	E184-K720 IonicContact OE1-NZ 3.91Å; E184-K720 PolarHBondContact OE1-NZ 2.99Å; R716-K720 PolarHBondContact O-N 3.14Å; R717-K720 PolarHBondContact O-N 3.46Å; K720-T723 PolarHBondContact O-OG1 3.22Å
721	K	41.5	Very low	40.8	Very low	80 Å²	80	87.8 Å²	87.8	35%	0.348	47%	0.466	S	S	.	.	H	α-helix	trans	-69	-38.7	172.9	-75.3	-179.5	174.5	-161.5	0	112.3	D345 E347 R717 S718 M719 T723 S724	D345-K721 IonicContact OD1-NZ 2.78Å; D345-K721 IonicContact OD2-NZ 2.68Å; D345-K721 PolarHBondContact OD2-NZ 3.26Å; E347-K721 IonicContact OE2-NZ 2.7Å; E347-K721 PolarHBondContact OE2-NZ 2.92Å; R717-K721 WeakPolarHBondContact O-CG 3.41Å; R717-K721 PolarHBondContact O-N 3.28Å; R717-K721 VanDerWaalsContact O-N 3.07Å; S718-K721 WeakPolarHBondContact O-CB 3.49Å; S718-K721 PolarHBondContact O-N 3.11Å; M719-K721 VanDerWaalsContact C-N 3.27Å; M719-K721 PolarHBondContact O-N 2.9Å; K721-T723 VanDerWaalsContact C-N 3.33Å; K721-T723 PolarHBondContact O-N 3.2Å; K721-S724 PolarHBondContact O-N 3.08Å
722	L	32.6	Very low	40.6	Very low	121 Å²	121	92.1 Å²	92.1	63%	0.634	49%	0.487	S	S	*	.	H	α-helix	trans	-67.4	-28.7	-179.9	-78.7	154.5	0	0	0	113.5	S718 M719	S718-L722 PolarHBondContact O-N 2.65Å; S718-L722 VanDerWaalsContact O-N 3.15Å; M719-L722 PolarHBondContact O-N 2.99Å
723	T	32.4	Very low	40.5	Very low	106 Å²	106	95.6 Å²	95.6	65%	0.65	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-5.8	-178.7	51.8	0	0	0	0	114.5	M719 K720 K721	M719-T723 PolarHBondContact O-N 2.8Å; K720-T723 PolarHBondContact O-OG1 3.22Å; K721-T723 VanDerWaalsContact C-N 3.33Å; K721-T723 PolarHBondContact O-N 3.2Å
724	S	35	Very low	40.2	Very low	74 Å²	74	101.4 Å²	101.4	52%	0.517	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-7.2	-178.9	-174	0	0	0	0	114.3	K721	K721-S724 PolarHBondContact O-N 3.08Å
725	T	27.9	Very low	39.9	Very low	113 Å²	113	107.2 Å²	107.2	69%	0.693	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.6	-13.6	179.3	40.7	0	0	0	0	114.5
726	D	27.3	Very low	39	Very low	137 Å²	137	108.7 Å²	108.7	73%	0.733	57%	0.567	S	S	*	*			trans	-131	78.2	176.3	-72.7	-42.5	0	0	0	110.7
727	M	26	Very low	37.6	Very low	264 Å²	264	112.6 Å²	112.6	100%	1.3	60%	0.596	S	S	*	*			trans	-167	0	147.5	-88.5	-142.9	-122.6	0	0	111.5

Retrieved 727 of 727 residues in 521.5 ms (Link to these results)

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