A0A087XSB9_POEFO Loading...

Sulfhydryl oxidase

Catalyzes the oxidation of sulfhydryl groups in peptide and protein thiols to disulfides with the reduction of oxygen to hydrogen peroxide. Plays a role in disulfide bond formation in a variety of extracellular proteins. In fibroblasts, required for normal incorporation of laminin into the extracellular matrix, and thereby for normal cell-cell adhesion and cell migration.

AlphaFold DB , UniProt , Accession A0A087XSB9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 738 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34	Very low	31	Very low	254 Å²	254	165.5 Å²	165.5	100%	1.251	86%	0.863	S	S	*	*				0	148.2	0	-83.5	-177.5	174.7	0	0	109.7
2	A	31.6	Very low	30.9	Very low	90 Å²	90	168.8 Å²	168.8	74%	0.744	87%	0.867	S	S	*	*			trans	-78.4	149.3	-160.1	0	0	0	0	0	115.8
3	R	29.8	Very low	31.3	Very low	235 Å²	235	164.5 Å²	164.5	89%	0.887	85%	0.853	S	S	*	*			trans	46.3	122.4	136	-65	179	173.2	-177.1	-3.2	120.4
4	R	33.1	Very low	31.5	Very low	237 Å²	237	162.9 Å²	162.9	89%	0.894	85%	0.854	S	S	*	*				173.4	114.3	102.9	-93.3	175.4	175.3	-174.7	-1.6	109.8
5	C	30.7	Very low	32.1	Very low	135 Å²	135	158.5 Å²	158.5	91%	0.912	85%	0.851	S	S	*	*				40.9	123.9	104.2	-81	0	0	0	0	114.3
6	G	28.8	Very low	32.3	Very low	76 Å²	76	154.5 Å²	154.5	78%	0.784	85%	0.847	S	S	*	*			cis	138.6	125.5	12.2	0	0	0	0	0	109.6
7	R	29.2	Very low	32.5	Very low	247 Å²	247	156.8 Å²	156.8	93%	0.932	85%	0.847	S	S	*	*			trans	-166.3	98.2	155.3	-127.3	173.9	179.1	173.9	-0.5	108
8	A	30.3	Very low	32.8	Very low	76 Å²	76	155.9 Å²	155.9	63%	0.628	85%	0.847	S	S	*	*				98.4	90.6	95.9	0	0	0	0	0	110.4
9	T	30.7	Very low	33.1	Very low	142 Å²	142	152.8 Å²	152.8	87%	0.871	83%	0.834	S	S	*	*				66.3	113.9	97.6	58.5	0	0	0	0	112.4
10	S	28.8	Very low	33.4	Very low	111 Å²	111	150.6 Å²	150.6	78%	0.776	83%	0.828	S	S	*	*				-154.8	134.9	74.8	178.6	0	0	0	0	112.5
11	R	34.3	Very low	33.5	Very low	217 Å²	217	149.8 Å²	149.8	82%	0.819	82%	0.822	S	S	*	*			trans	-97.2	145	169.1	-71.2	176.8	171.5	-179.2	-3.4	108.1
12	F	29.5	Very low	33.4	Very low	206 Å²	206	143 Å²	143	90%	0.904	80%	0.799	S	S	*	*			trans	-137.4	107.3	137	-95	-80.2	0	0	0	109.2
13	T	36.4	Very low	33.4	Very low	112 Å²	112	144 Å²	144	69%	0.687	79%	0.791	S	S	*	*			trans	-81.8	133.1	159.9	42	0	0	0	0	108.5
14	T	33.5	Very low	33.6	Very low	142 Å²	142	137.2 Å²	137.2	87%	0.871	79%	0.785	S	S	*	*			trans	-165.3	141.4	138.5	26.2	0	0	0	0	110.6
15	A	41.2	Very low	33.4	Very low	98 Å²	98	134 Å²	134	81%	0.81	78%	0.778	S	S	*	*			trans	-57.2	150.9	-179.3	0	0	0	0	0	114.1
16	A	34.5	Very low	33.4	Very low	94 Å²	94	132.5 Å²	132.5	78%	0.777	77%	0.767	S	S	*	*			trans	-126.6	105.4	161.8	0	0	0	0	0	109.3	V18	A16-V18 PolarHBondContact O-N 3.46Å
17	F	35.7	Very low	33.6	Very low	194 Å²	194	134.7 Å²	134.7	85%	0.851	77%	0.767	S	S	*	*			trans	-48.8	113	155.4	-101.9	-107.5	0	0	0	108.9	V19	F17-V19 VanDerWaalsContact C-N 3.29Å; F17-V19 HydrophobicContact CB-CG2 4.44Å; F17-V19 HydrophobicContact CD1-CG2 4.2Å; F17-V19 PolarHBondContact O-N 3.06Å; F17-V19 VanDerWaalsContact O-N 3.17Å
18	V	38	Very low	33.7	Very low	141 Å²	141	127.4 Å²	127.4	86%	0.855	76%	0.759	S	S	*	*			trans	-82.8	86.9	160.9	179.2	0	0	0	0	106.2	A16 C20	A16-V18 PolarHBondContact O-N 3.46Å; V18-C20 PolarHBondContact O-N 2.9Å
19	V	38.1	Very low	34	Very low	97 Å²	97	126.5 Å²	126.5	59%	0.588	75%	0.752	S	S	*	*			trans	-65.7	119.4	163.6	170.5	0	0	0	0	106.8	F17 L21	F17-V19 VanDerWaalsContact C-N 3.29Å; F17-V19 HydrophobicContact CB-CG2 4.44Å; F17-V19 HydrophobicContact CD1-CG2 4.2Å; F17-V19 PolarHBondContact O-N 3.06Å; F17-V19 VanDerWaalsContact O-N 3.17Å; V19-L21 HydrophobicContact CG1-CD1 4.47Å; V19-L21 PolarHBondContact O-N 3.08Å
20	C	39.2	Very low	34.8	Very low	108 Å²	108	122.9 Å²	122.9	73%	0.73	73%	0.725	S	S	*	*			trans	-54	95.2	168.9	-162.2	0	0	0	0	109.4	V18 C22	V18-C20 PolarHBondContact O-N 2.9Å; C20-C22 VanDerWaalsContact C-N 3.28Å; C20-C22 PolarHBondContact O-N 2.89Å
21	L	35.8	Very low	36.1	Very low	133 Å²	133	120.3 Å²	120.3	70%	0.696	71%	0.71	S	S	*	*			trans	-96.3	56.8	169.6	-128.8	110.8	0	0	0	109.1	V19 L23	V19-L21 HydrophobicContact CG1-CD1 4.47Å; V19-L21 PolarHBondContact O-N 3.08Å; L21-L23 HydrophobicContact CD2-CD1 3.6Å; L21-L23 HydrophobicContact CD2-CG 3.74Å; L21-L23 HydrophobicContact CG-CG 4.17Å; L21-L23 PolarHBondContact O-N 2.84Å
22	C	31.4	Very low	38.1	Very low	112 Å²	112	110.7 Å²	110.7	76%	0.757	68%	0.679	S	S	*	*			trans	-73.4	77.5	151.7	-69.7	0	0	0	0	106.8	C20 A24	C20-C22 VanDerWaalsContact C-N 3.28Å; C20-C22 PolarHBondContact O-N 2.89Å; C22-A24 PolarHBondContact O-N 3.48Å
23	L	31.7	Very low	41	Very low	110 Å²	110	101.6 Å²	101.6	58%	0.576	64%	0.64	S	S	*	*			trans	-66.6	94	158.4	-72.5	177.3	0	0	0	106.2	L21 F25	L21-L23 HydrophobicContact CD2-CD1 3.6Å; L21-L23 HydrophobicContact CD2-CG 3.74Å; L21-L23 HydrophobicContact CG-CG 4.17Å; L21-L23 PolarHBondContact O-N 2.84Å; L23-F25 HydrophobicContact CB-CD2 4.06Å; L23-F25 HydrophobicContact CB-CE2 3.8Å; L23-F25 HydrophobicContact CB-CZ 4.42Å; L23-F25 HydrophobicContact CD1-CE2 4Å; L23-F25 HydrophobicContact CD1-CZ 3.98Å; L23-F25 PolarHBondContact O-N 3.11Å
24	A	33.9	Very low	43.6	Very low	93 Å²	93	96.3 Å²	96.3	77%	0.769	61%	0.607	S	S	*	*			trans	-57	92.6	152.5	0	0	0	0	0	106.6	C22 P26	C22-A24 PolarHBondContact O-N 3.48Å; A24-P26 WeakPolarHBondContact O-CD 3.01Å
25	F	30.3	Very low	46.1	Very low	169 Å²	169	91.6 Å²	91.6	74%	0.741	58%	0.578	S	S	*	*			trans	-71.9	112.2	156.2	-73.6	-80.1	0	0	0	105.4	L23	L23-F25 HydrophobicContact CB-CD2 4.06Å; L23-F25 HydrophobicContact CB-CE2 3.8Å; L23-F25 HydrophobicContact CB-CZ 4.42Å; L23-F25 HydrophobicContact CD1-CE2 4Å; L23-F25 HydrophobicContact CD1-CZ 3.98Å; L23-F25 PolarHBondContact O-N 3.11Å
26	P	30.6	Very low	47.9	Very low	105 Å²	105	88.9 Å²	88.9	68%	0.682	56%	0.556	S	S	*	*			trans	-57.3	140.3	160.9	25.3	-30.4	0	0	0	107.2	A24 A28	A24-P26 WeakPolarHBondContact O-CD 3.01Å; P26-A28 PolarHBondContact O-N 3.3Å; P26-A28 VanDerWaalsContact O-N 3.08Å
27	P	32.8	Very low	50.2	Low	122 Å²	122	89.2 Å²	89.2	79%	0.792	55%	0.553	S	S	*	*			trans	-56.9	122.5	170	25.6	-30.9	0	0	0	106.9	A29	P27-A29 PolarHBondContact O-N 2.87Å
28	A	31.8	Very low	52.8	Low	93 Å²	93	80.7 Å²	80.7	77%	0.769	52%	0.516	S	S	*	.			trans	-58.9	109.7	171.9	0	0	0	0	0	107.5	P26 E30	P26-A28 PolarHBondContact O-N 3.3Å; P26-A28 VanDerWaalsContact O-N 3.08Å; A28-E30 PolarHBondContact O-N 3.13Å
29	A	35.8	Very low	55.2	Low	57 Å²	57	77.3 Å²	77.3	47%	0.471	49%	0.491	S	S	.	.			trans	-74.6	109.9	170.8	0	0	0	0	0	107.6	P27 A31 E289	P27-A29 PolarHBondContact O-N 2.87Å; A29-A31 PolarHBondContact O-N 2.86Å; A29-E289 WeakPolarHBondContact CB-OE1 3.18Å
30	E	47.6	Very low	57.8	Low	67 Å²	67	73 Å²	73	31%	0.313	46%	0.464	S	S	.	.			trans	-59.4	130.4	171.2	-78.2	160.1	137.7	0	0	109.1	A28 G32 T35 A36	A28-E30 PolarHBondContact O-N 3.13Å; E30-G32 PolarHBondContact O-N 3.13Å; E30-T35 WeakPolarHBondContact OE2-CA 3.02Å; E30-T35 WeakPolarHBondContact OE2-CB 3.44Å; E30-T35 WeakPolarHBondContact OE2-CG2 3.38Å; E30-A36 PolarHBondContact OE1-N 3.49Å; E30-A36 PolarHBondContact OE2-N 3.44Å
31	A	55.6	Low	60.4	Low	56 Å²	56	69.9 Å²	69.9	46%	0.463	44%	0.442	S	S	.	.	S	Bend	trans	-69.8	83.6	174.8	0	0	0	0	0	109.2	A29	A29-A31 PolarHBondContact O-N 2.86Å
32	G	76.6	Confident	63.1	Low	16 Å²	16	66 Å²	66	17%	0.165	42%	0.422	C	S	.	.	S	Bend	trans	172.1	175.1	-178.1	0	0	0	0	0	112	E30 Y34 Y64	E30-G32 PolarHBondContact O-N 3.13Å; G32-Y34 VanDerWaalsContact C-N 3.33Å; G32-Y64 WeakPolarHBondContact CA-OH 3.31Å
33	L	89.8	Confident	66	Low	14 Å²	14	61.1 Å²	61.1	7%	0.073	39%	0.388	C	S	.	.	S	Bend	trans	-85.2	-10.5	175.4	-60.9	178	0	0	0	112.8	Y64 C71 I72 K79 H402	L33-Y64 HydrophobicContact CB-CE2 3.93Å; L33-Y64 HydrophobicContact CD1-CD2 3.64Å; L33-Y64 HydrophobicContact CD1-CE2 3.77Å; L33-Y64 HydrophobicContact CG-CD2 4.06Å; L33-Y64 HydrophobicContact CG-CE2 3.63Å; L33-Y64 PolarHBondContact N-OH 3Å; L33-Y64 VanDerWaalsContact N-OH 3.13Å; L33-C71 HydrophobicContact CD1-CB 3.92Å; L33-I72 HydrophobicContact CD1-CG1 4.22Å; L33-I72 HydrophobicContact CD2-CB 4.49Å; L33-I72 HydrophobicContact CD2-CG1 3.79Å; L33-K79 WeakPolarHBondContact O-CE 3.19Å; L33-K79 PolarHBondContact O-NZ 3.47Å; L33-H402 HydrophobicContact CD2-CB 3.78Å
34	Y	91.3	Very high	68.7	Low	1 Å²	1	56.1 Å²	56.1	0%	0.004	36%	0.362	C	S	.	.			trans	-126.3	150.6	-171.1	-58.6	-70	0	0	0	111.1	G32 I40 E62 Y64 S75 Y78 K79 A96	G32-Y34 VanDerWaalsContact C-N 3.33Å; Y34-I40 HydrophobicContact CD1-CD1 3.49Å; Y34-I40 VanDerWaalsContact CD1-CD1 3.49Å; Y34-I40 HydrophobicContact CE1-CD1 3.77Å; Y34-I40 HydrophobicContact CG-CD1 4.28Å; Y34-E62 WeakPolarHBondContact CE2-OE2 3.47Å; Y34-E62 PolarHBondContact OH-OE2 3.13Å; Y34-Y64 HydrophobicContact CD2-CD1 4.27Å; Y34-Y64 AromaticContact CD2-CE1 3.61Å; Y34-Y64 HydrophobicContact CD2-CE1 3.61Å; Y34-Y64 AromaticContact CD2-CZ 3.78Å; Y34-Y64 AromaticContact CE2-CD1 3.86Å; Y34-Y64 HydrophobicContact CE2-CD1 3.86Å; Y34-Y64 AromaticContact CE2-CE1 3.69Å; Y34-Y64 HydrophobicContact CE2-CE1 3.69Å; Y34-Y64 HydrophobicContact CE2-CG 4.35Å; Y34-S75 WeakPolarHBondContact OH-CA 3.39Å; Y34-Y78 AromaticContact CE1-CD1 3.8Å; Y34-Y78 HydrophobicContact CE1-CD1 3.8Å; Y34-Y78 AromaticContact CZ-CD1 3.73Å; Y34-Y78 WeakPolarHBondContact OH-CB 3.5Å; Y34-K79 HydrophobicContact CD1-CD 4.39Å; Y34-K79 VanDerWaalsContact CD1-CE 3.49Å; Y34-K79 HydrophobicContact CD1-CG 3.91Å; Y34-K79 HydrophobicContact CE1-CD 4.49Å; Y34-K79 HydrophobicContact CE1-CG 3.87Å; Y34-A96 HydrophobicContact CD2-CB 3.54Å; Y34-A96 HydrophobicContact CE2-CB 3.74Å; Y34-A96 HydrophobicContact CG-CB 4.29Å
35	T	86.6	Confident	71.2	Confident	43 Å²	43	55.9 Å²	55.9	26%	0.264	35%	0.345	S	S	.	.			trans	-123.4	163.3	-179.3	67.9	0	0	0	0	112.3	E30 S37 D38	E30-T35 WeakPolarHBondContact OE2-CA 3.02Å; E30-T35 WeakPolarHBondContact OE2-CB 3.44Å; E30-T35 WeakPolarHBondContact OE2-CG2 3.38Å; T35-S37 PolarHBondContact O-N 3.24Å; T35-S37 PolarHBondContact OG1-N 3.49Å; T35-S37 PolarHBondContact OG1-OG 2.98Å; T35-D38 PolarHBondContact N-OD2 2.04Å; T35-D38 WeakPolarHBondContact O-CB 3.49Å; T35-D38 PolarHBondContact O-N 3.18Å; T35-D38 PolarHBondContact OG1-OD2 2.85Å
36	A	78.9	Confident	73.9	Confident	41 Å²	41	53.6 Å²	53.6	34%	0.339	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-55.8	-23.3	173.3	0	0	0	0	0	113.6	E30 T281	E30-A36 PolarHBondContact OE1-N 3.49Å; E30-A36 PolarHBondContact OE2-N 3.44Å; A36-T281 HydrophobicContact CB-CG2 3.78Å
37	S	83.5	Confident	76.7	Confident	101 Å²	101	50.2 Å²	50.2	71%	0.706	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-79.7	-13.3	178.6	73.9	0	0	0	0	114.5	T35 Q39	T35-S37 PolarHBondContact O-N 3.24Å; T35-S37 PolarHBondContact OG1-N 3.49Å; T35-S37 PolarHBondContact OG1-OG 2.98Å; S37-Q39 PolarHBondContact O-N 3.28Å
38	D	88.9	Confident	79.4	Confident	16 Å²	16	44.9 Å²	44.9	9%	0.086	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-80.7	3.7	-172.1	-73.3	-55	0	0	0	114.2	T35 I40 K79	T35-D38 PolarHBondContact N-OD2 2.04Å; T35-D38 WeakPolarHBondContact O-CB 3.49Å; T35-D38 PolarHBondContact O-N 3.18Å; T35-D38 PolarHBondContact OG1-OD2 2.85Å; D38-I40 HydrophobicContact CB-CD1 4.09Å; D38-I40 HydrophobicContact CB-CG1 4.42Å; D38-I40 PolarHBondContact O-N 3.36Å; D38-K79 HydrophobicContact CB-CG 4.25Å; D38-K79 VanDerWaalsContact OD1-CD 3.29Å; D38-K79 WeakPolarHBondContact OD1-CD 3.37Å; D38-K79 IonicContact OD1-NZ 3.43Å; D38-K79 VanDerWaalsContact OD2-CE 3.23Å; D38-K79 WeakPolarHBondContact OD2-CE 3.39Å; D38-K79 IonicContact OD2-NZ 3.51Å; D38-K79 PolarHBondContact OD2-NZ 3.46Å; D38-K79 VanDerWaalsContact OD2-NZ 3.13Å
39	Q	88.8	Confident	82.1	Confident	69 Å²	69	42.1 Å²	42.1	32%	0.322	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	21.3	-172.8	-55.7	-173.8	91.8	0	0	114.3	S37 K86	S37-Q39 PolarHBondContact O-N 3.28Å; Q39-K86 VanDerWaalsContact OE1-CB 3.23Å
40	I	93.8	Very high	84.6	Confident	7 Å²	7	43.9 Å²	43.9	4%	0.036	27%	0.267	C	S	.	.			trans	-111.6	129.2	178.1	-65.2	163.6	0	0	0	107.6	Y34 D38 L42 Y78 K79 A82 M94 A96	Y34-I40 HydrophobicContact CD1-CD1 3.49Å; Y34-I40 VanDerWaalsContact CD1-CD1 3.49Å; Y34-I40 HydrophobicContact CE1-CD1 3.77Å; Y34-I40 HydrophobicContact CG-CD1 4.28Å; D38-I40 HydrophobicContact CB-CD1 4.09Å; D38-I40 HydrophobicContact CB-CG1 4.42Å; D38-I40 PolarHBondContact O-N 3.36Å; I40-L42 PolarHBondContact O-N 3.23Å; I40-Y78 HydrophobicContact CD1-CD1 3.56Å; I40-Y78 HydrophobicContact CD1-CE1 3.82Å; I40-Y78 HydrophobicContact CG1-CD1 4.38Å; I40-Y78 HydrophobicContact CG1-CE1 4.16Å; I40-Y78 HydrophobicContact CG2-CE1 4.12Å; I40-K79 HydrophobicContact CD1-CG 4.24Å; I40-A82 HydrophobicContact CD1-CB 4.05Å; I40-A82 HydrophobicContact CG1-CB 3.65Å; I40-M94 HydrophobicContact CG1-CB 4.39Å; I40-A96 HydrophobicContact CG2-CB 3.72Å
41	V	92.2	Very high	86.6	Confident	42 Å²	42	42.1 Å²	42.1	26%	0.255	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	120.8	175.4	-177.3	0	0	0	0	109.3	L43 V51 M94 A95 A96	V41-L43 HydrophobicContact CG1-CD2 4.15Å; V41-L43 PolarHBondContact O-N 2.99Å; V41-V51 HydrophobicContact CG1-CG1 4.24Å; V41-V51 HydrophobicContact CG1-CG2 4.36Å; V41-M94 PolarHBondContact N-O 3.04Å; V41-A95 HydrophobicContact CB-CB 4Å; V41-A95 CarbonylContact O-C 3.5Å; V41-A95 WeakPolarHBondContact O-CA 3.22Å; V41-A95 WeakPolarHBondContact O-CB 3.25Å; V41-A96 PolarHBondContact O-N 3.23Å
42	L	92.9	Very high	88.3	Confident	53 Å²	53	39.7 Å²	39.7	28%	0.277	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	114	176.2	-55.8	-175.6	0	0	0	109.5	I40 N47	I40-L42 PolarHBondContact O-N 3.23Å; L42-N47 PolarHBondContact O-ND2 2.88Å
43	L	92.1	Very high	88.9	Confident	9 Å²	9	41.1 Å²	41.1	5%	0.047	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	148.6	179.5	-59.7	178.5	0	0	0	111	V41 N47 V48 V51 L52 V61 A95 A96 I97	V41-L43 HydrophobicContact CG1-CD2 4.15Å; V41-L43 PolarHBondContact O-N 2.99Å; L43-N47 VanDerWaalsContact CA-OD1 3.26Å; L43-N47 WeakPolarHBondContact CA-OD1 3.16Å; L43-V48 HydrophobicContact CD1-CG2 4.4Å; L43-V51 HydrophobicContact CD2-CB 3.79Å; L43-V51 HydrophobicContact CD2-CG1 3.68Å; L43-V51 HydrophobicContact CD2-CG2 4.07Å; L43-L52 HydrophobicContact CD1-CD1 4.42Å; L43-L52 HydrophobicContact CD1-CD2 4.37Å; L43-V61 HydrophobicContact CD1-CG1 3.62Å; L43-V61 HydrophobicContact CD1-CG2 4.4Å; L43-A95 HydrophobicContact CD1-CB 3.83Å; L43-A95 HydrophobicContact CD2-CB 4.28Å; L43-A95 HydrophobicContact CG-CB 3.92Å; L43-A96 PolarHBondContact N-O 2.92Å; L43-I97 HydrophobicContact CB-CB 3.95Å; L43-I97 HydrophobicContact CB-CD1 4.36Å; L43-I97 HydrophobicContact CB-CG1 4.33Å
44	S	88.9	Confident	88.7	Confident	4 Å²	4	46.1 Å²	46.1	3%	0.028	27%	0.273	C	S	.	.			trans	-147	175.8	-179.6	60.4	0	0	0	0	109.8	Q46 N47 V48	S44-Q46 VanDerWaalsContact CB-OE1 3.27Å; S44-Q46 PolarHBondContact O-N 3.14Å; S44-Q46 PolarHBondContact OG-OE1 3.3Å; S44-Q46 VanDerWaalsContact OG-OE1 3.11Å; S44-N47 PolarHBondContact N-OD1 3.25Å; S44-N47 PolarHBondContact O-N 3.33Å; S44-N47 PolarHBondContact O-OD1 3.19Å; S44-N47 PolarHBondContact OG-OD1 3.17Å; S44-V48 WeakPolarHBondContact O-CB 3.16Å; S44-V48 PolarHBondContact O-N 3.12Å; S44-V48 VanDerWaalsContact O-N 3.11Å
45	E	86.7	Confident	88.6	Confident	89 Å²	89	47.1 Å²	47.1	42%	0.416	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-30.9	174.4	-173.7	-178.2	-157.6	0	0	114.3	N104 I107	E45-N104 PolarHBondContact N-OD1 3.43Å; E45-I107 HydrophobicContact CB-CD1 3.54Å; E45-I107 HydrophobicContact CG-CD1 3.64Å
46	Q	86.9	Confident	88.5	Confident	121 Å²	121	49.2 Å²	49.2	57%	0.565	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-29.3	-173.2	-58.9	77.4	22.3	0	0	112.7	S44	S44-Q46 VanDerWaalsContact CB-OE1 3.27Å; S44-Q46 PolarHBondContact O-N 3.14Å; S44-Q46 PolarHBondContact OG-OE1 3.3Å; S44-Q46 VanDerWaalsContact OG-OE1 3.11Å
47	N	89.4	Confident	89	Confident	33 Å²	33	47.4 Å²	47.4	18%	0.176	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-12.2	-170.7	73.5	6.9	0	0	0	115	L42 L43 S44 G49 S50 V51	L42-N47 PolarHBondContact O-ND2 2.88Å; L43-N47 VanDerWaalsContact CA-OD1 3.26Å; L43-N47 WeakPolarHBondContact CA-OD1 3.16Å; S44-N47 PolarHBondContact N-OD1 3.25Å; S44-N47 PolarHBondContact O-N 3.33Å; S44-N47 PolarHBondContact O-OD1 3.19Å; S44-N47 PolarHBondContact OG-OD1 3.17Å; N47-G49 PolarHBondContact O-N 2.92Å; N47-S50 PolarHBondContact O-N 3.01Å; N47-S50 PolarHBondContact O-OG 3.39Å; N47-V51 HydrophobicContact CB-CG2 4.36Å; N47-V51 WeakPolarHBondContact O-CB 3.32Å; N47-V51 WeakPolarHBondContact O-CG2 3.27Å; N47-V51 PolarHBondContact O-N 3.11Å
48	V	90.5	Very high	89.4	Confident	10 Å²	10	42.7 Å²	42.7	6%	0.061	25%	0.248	C	C	.	.	H	α-helix	trans	-57.8	-39.1	-174.9	66	0	0	0	0	112.3	L43 S44 L52 I107 Y111	L43-V48 HydrophobicContact CD1-CG2 4.4Å; S44-V48 WeakPolarHBondContact O-CB 3.16Å; S44-V48 PolarHBondContact O-N 3.12Å; S44-V48 VanDerWaalsContact O-N 3.11Å; V48-L52 HydrophobicContact CG2-CD1 3.63Å; V48-L52 HydrophobicContact CG2-CG 4.18Å; V48-L52 WeakPolarHBondContact O-CB 3.28Å; V48-L52 WeakPolarHBondContact O-CG 3.09Å; V48-L52 PolarHBondContact O-N 3.19Å; V48-I107 HydrophobicContact CG1-CD1 3.7Å; V48-I107 HydrophobicContact CG1-CG1 4.24Å; V48-I107 HydrophobicContact CG1-CG2 4.22Å; V48-I107 HydrophobicContact CG2-CG2 4.32Å; V48-Y111 HydrophobicContact CG2-CE2 3.91Å
49	G	87.7	Confident	89.6	Confident	35 Å²	35	42.1 Å²	42.1	36%	0.361	25%	0.245	S	C	.	.	H	α-helix	trans	-65.7	-47.2	178.4	0	0	0	0	0	112.4	N47 V51 V53	N47-G49 PolarHBondContact O-N 2.92Å; G49-V51 VanDerWaalsContact C-N 3.34Å; G49-V51 PolarHBondContact O-N 2.87Å; G49-V53 WeakPolarHBondContact O-CB 3.4Å; G49-V53 VanDerWaalsContact O-CG2 3.23Å; G49-V53 WeakPolarHBondContact O-CG2 3.34Å; G49-V53 PolarHBondContact O-N 3.15Å
50	S	87.8	Confident	90	Very high	94 Å²	94	38.9 Å²	38.9	66%	0.657	23%	0.23	S	C	*	.	H	α-helix	trans	-71.2	-28.8	-178.6	57.3	0	0	0	0	113.1	N47	N47-S50 PolarHBondContact O-N 3.01Å; N47-S50 PolarHBondContact O-OG 3.39Å
51	V	90.1	Very high	90.2	Very high	31 Å²	31	38.5 Å²	38.5	19%	0.188	23%	0.228	C	C	.	.	H	α-helix	trans	-82.1	-37.1	-179.9	175.7	0	0	0	0	112.4	V41 L43 N47 G49 S55 M59	V41-V51 HydrophobicContact CG1-CG1 4.24Å; V41-V51 HydrophobicContact CG1-CG2 4.36Å; L43-V51 HydrophobicContact CD2-CB 3.79Å; L43-V51 HydrophobicContact CD2-CG1 3.68Å; L43-V51 HydrophobicContact CD2-CG2 4.07Å; N47-V51 HydrophobicContact CB-CG2 4.36Å; N47-V51 WeakPolarHBondContact O-CB 3.32Å; N47-V51 WeakPolarHBondContact O-CG2 3.27Å; N47-V51 PolarHBondContact O-N 3.11Å; G49-V51 VanDerWaalsContact C-N 3.34Å; G49-V51 PolarHBondContact O-N 2.87Å; V51-S55 WeakPolarHBondContact O-CB 3.45Å; V51-M59 HydrophobicContact CG1-CE 3.57Å
52	L	91.4	Very high	90.4	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-94.5	-31.5	-174.9	-59.1	-173.5	0	0	0	113.8	L43 V48 M59 V61 Y111 F122	L43-L52 HydrophobicContact CD1-CD1 4.42Å; L43-L52 HydrophobicContact CD1-CD2 4.37Å; V48-L52 HydrophobicContact CG2-CD1 3.63Å; V48-L52 HydrophobicContact CG2-CG 4.18Å; V48-L52 WeakPolarHBondContact O-CB 3.28Å; V48-L52 WeakPolarHBondContact O-CG 3.09Å; V48-L52 PolarHBondContact O-N 3.19Å; L52-M59 HydrophobicContact CD2-CB 3.81Å; L52-M59 HydrophobicContact CD2-CE 4.37Å; L52-M59 HydrophobicContact CD2-CG 3.85Å; L52-V61 HydrophobicContact CD1-CG2 4.36Å; L52-V61 HydrophobicContact CD2-CG2 3.61Å; L52-Y111 HydrophobicContact CD1-CE1 4.29Å; L52-F122 HydrophobicContact CD1-CE1 4.27Å; L52-F122 HydrophobicContact CD1-CE2 4.12Å; L52-F122 HydrophobicContact CD1-CZ 3.98Å; L52-F122 HydrophobicContact CD2-CD2 4.42Å
53	V	89.3	Confident	90.7	Very high	46 Å²	46	34 Å²	34	28%	0.279	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	129.7	-174.1	-176.1	0	0	0	0	110.5	G49 S55 A128	G49-V53 WeakPolarHBondContact O-CB 3.4Å; G49-V53 VanDerWaalsContact O-CG2 3.23Å; G49-V53 WeakPolarHBondContact O-CG2 3.34Å; G49-V53 PolarHBondContact O-N 3.15Å; V53-S55 PolarHBondContact O-N 3.22Å; V53-S55 VanDerWaalsContact O-N 3.09Å; V53-A128 HydrophobicContact CG1-CB 3.98Å; V53-A128 HydrophobicContact CG2-CB 4.3Å
54	N	86.1	Confident	90.9	Very high	119 Å²	119	33.9 Å²	33.9	64%	0.636	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	26.6	179	-159	46	0	0	0	114.1	S126	N54-S126 PolarHBondContact N-O 3.18Å
55	S	87.8	Confident	91.2	Very high	22 Å²	22	33.7 Å²	33.7	15%	0.154	20%	0.201	C	C	.	.			trans	-68.5	134.6	173.6	167.5	0	0	0	0	110.2	V51 V53 A57 A124 N125	V51-S55 WeakPolarHBondContact O-CB 3.45Å; V53-S55 PolarHBondContact O-N 3.22Å; V53-S55 VanDerWaalsContact O-N 3.09Å; S55-A57 PolarHBondContact O-N 2.93Å; S55-A57 PolarHBondContact OG-N 2.85Å; S55-A57 VanDerWaalsContact OG-N 3.1Å; S55-A57 PolarHBondContact OG-O 3.35Å; S55-A124 CarbonylContact O-C 3.52Å; S55-A124 WeakPolarHBondContact O-CA 3.27Å; S55-N125 PolarHBondContact O-N 3.49Å
56	S	85.3	Confident	91.5	Very high	88 Å²	88	30.2 Å²	30.2	62%	0.615	19%	0.186	S	C	*	.	S	Bend	trans	-69.2	-19.8	173	55.9	0	0	0	0	113.2	A124 P162	S56-A124 VanDerWaalsContact O-CB 3.25Å; S56-A124 WeakPolarHBondContact O-CB 3.44Å; S56-P162 WeakPolarHBondContact O-CG 3.08Å
57	A	88.3	Confident	91.8	Very high	3 Å²	3	25.1 Å²	25.1	3%	0.025	16%	0.162	C	C	.	.	S	Bend	trans	-94.8	145.2	175.6	0	0	0	0	0	111.2	S55 M59 P90 N93	S55-A57 PolarHBondContact O-N 2.93Å; S55-A57 PolarHBondContact OG-N 2.85Å; S55-A57 VanDerWaalsContact OG-N 3.1Å; S55-A57 PolarHBondContact OG-O 3.35Å; A57-M59 HydrophobicContact CB-SD 4.4Å; A57-P90 WeakPolarHBondContact CA-O 3.45Å; A57-P90 WeakPolarHBondContact CB-O 3.23Å; A57-N93 HydrophobicContact CB-CB 4.47Å
58	A	91.8	Very high	92.2	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.008	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	143	161.3	0	0	0	0	0	110	A91 V92 N93 F121 F122 L153	A58-A91 PolarHBondContact N-O 3.25Å; A58-V92 WeakPolarHBondContact O-CA 3.47Å; A58-N93 PolarHBondContact O-N 3.15Å; A58-F121 HydrophobicContact CB-CE1 4.31Å; A58-F121 HydrophobicContact CB-CE2 4.07Å; A58-F121 HydrophobicContact CB-CZ 3.6Å; A58-F122 CarbonylContact C-O 3.6Å; A58-F122 VanDerWaalsContact CA-O 3.28Å; A58-F122 WeakPolarHBondContact CA-O 3.35Å; A58-L153 HydrophobicContact CB-CD2 3.8Å
59	M	94.1	Very high	92.4	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.02	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	124.6	-176.1	-53.5	-65.7	-56.8	0	0	110.6	V51 L52 A57 V61 N93 A95 F121 F122	V51-M59 HydrophobicContact CG1-CE 3.57Å; L52-M59 HydrophobicContact CD2-CB 3.81Å; L52-M59 HydrophobicContact CD2-CE 4.37Å; L52-M59 HydrophobicContact CD2-CG 3.85Å; A57-M59 HydrophobicContact CB-SD 4.4Å; M59-V61 HydrophobicContact CB-CG2 4.09Å; M59-N93 WeakPolarHBondContact CA-O 3.32Å; M59-N93 HydrophobicContact CE-CB 3.8Å; M59-N93 HydrophobicContact SD-CB 3.59Å; M59-N93 VanDerWaalsContact SD-CB 3.59Å; M59-A95 HydrophobicContact CE-CB 3.98Å; M59-F121 WeakPolarHBondContact O-CA 3.37Å; M59-F122 HydrophobicContact CB-CB 4.14Å; M59-F122 PolarHBondContact N-O 3.08Å; M59-F122 PolarHBondContact O-N 3.01Å
60	V	96.8	Very high	92.8	Very high	1 Å²	1	24 Å²	24	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	110.2	168.4	-173.5	0	0	0	0	107.2	Y78 V92 N93 M94 A95 I119 F121 I149	V60-Y78 PolarHBondContact O-OH 2.95Å; V60-V92 HydrophobicContact CG2-CG1 3.91Å; V60-N93 PolarHBondContact N-O 3.43Å; V60-M94 HydrophobicContact CB-CG 4.28Å; V60-M94 CarbonylContact O-C 3.56Å; V60-M94 WeakPolarHBondContact O-CA 3.45Å; V60-A95 PolarHBondContact O-N 3.44Å; V60-I119 HydrophobicContact CG1-CG2 3.8Å; V60-F121 HydrophobicContact CG2-CD2 3.98Å; V60-F121 HydrophobicContact CG2-CE2 4.24Å; V60-I149 HydrophobicContact CG2-CD1 3.88Å; V60-I149 HydrophobicContact CG2-CG1 3.83Å; V60-I149 HydrophobicContact CG2-CG2 4.29Å
61	V	97.7	Very high	93.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	122.6	-172.7	-171.3	0	0	0	0	110.6	L43 L52 M59 F63 A95 I119 K120 F122	L43-V61 HydrophobicContact CD1-CG1 3.62Å; L43-V61 HydrophobicContact CD1-CG2 4.4Å; L52-V61 HydrophobicContact CD1-CG2 4.36Å; L52-V61 HydrophobicContact CD2-CG2 3.61Å; M59-V61 HydrophobicContact CB-CG2 4.09Å; V61-F63 HydrophobicContact CB-CD2 4.49Å; V61-F63 HydrophobicContact CB-CE2 3.91Å; V61-F63 HydrophobicContact CG1-CD2 4.05Å; V61-F63 HydrophobicContact CG1-CE2 3.58Å; V61-F63 HydrophobicContact CG1-CZ 3.94Å; V61-A95 CarbonylContact C-O 3.57Å; V61-A95 VanDerWaalsContact CA-O 3.28Å; V61-A95 WeakPolarHBondContact CA-O 3.29Å; V61-A95 HydrophobicContact CG2-CB 4.29Å; V61-I119 CarbonylContact O-C 3.6Å; V61-I119 WeakPolarHBondContact O-CA 3.44Å; V61-K120 PolarHBondContact N-O 3.08Å; V61-K120 PolarHBondContact O-N 3.3Å; V61-F122 HydrophobicContact CB-CD2 4.37Å; V61-F122 HydrophobicContact CB-CE2 3.99Å; V61-F122 HydrophobicContact CG2-CD2 3.61Å; V61-F122 HydrophobicContact CG2-CE2 3.61Å
62	E	97.9	Very high	93.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	120.3	167.2	-170.6	-165.1	-166.9	0	0	111.1	Y34 F74 Y78 A95 A96 I97 P117 I119	Y34-E62 WeakPolarHBondContact CE2-OE2 3.47Å; Y34-E62 PolarHBondContact OH-OE2 3.13Å; E62-F74 WeakPolarHBondContact OE1-CD1 3.39Å; E62-Y78 HydrophobicContact CB-CD1 4.42Å; E62-Y78 HydrophobicContact CB-CD2 4.48Å; E62-Y78 HydrophobicContact CB-CE1 3.93Å; E62-Y78 HydrophobicContact CB-CE2 3.98Å; E62-A95 PolarHBondContact N-O 3.13Å; E62-A96 HydrophobicContact CB-CB 4.43Å; E62-A96 CarbonylContact O-C 3.57Å; E62-A96 VanDerWaalsContact O-CA 3.3Å; E62-A96 WeakPolarHBondContact O-CA 3.46Å; E62-I97 PolarHBondContact O-N 3.38Å; E62-P117 HydrophobicContact CG-CB 4.14Å; E62-P117 WeakPolarHBondContact OE1-CB 3.49Å; E62-I119 HydrophobicContact CG-CG1 4.48Å
63	F	97.4	Very high	93.7	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	110.2	167.1	-62.8	-101	0	0	0	108.2	V61 I97 Y111 I113 P117 T118 K120 F122	V61-F63 HydrophobicContact CB-CD2 4.49Å; V61-F63 HydrophobicContact CB-CE2 3.91Å; V61-F63 HydrophobicContact CG1-CD2 4.05Å; V61-F63 HydrophobicContact CG1-CE2 3.58Å; V61-F63 HydrophobicContact CG1-CZ 3.94Å; F63-I97 HydrophobicContact CB-CG2 4.12Å; F63-I97 HydrophobicContact CD1-CG2 3.15Å; F63-I97 HydrophobicContact CE1-CG2 3.6Å; F63-I97 HydrophobicContact CG-CG2 3.69Å; F63-I97 HydrophobicContact CZ-CG2 4.42Å; F63-Y111 HydrophobicContact CE1-CD2 4.12Å; F63-Y111 AromaticContact CE1-CG 3.98Å; F63-Y111 HydrophobicContact CE1-CG 3.98Å; F63-Y111 HydrophobicContact CZ-CD1 4.19Å; F63-Y111 HydrophobicContact CZ-CD2 4.32Å; F63-Y111 AromaticContact CZ-CG 3.9Å; F63-Y111 HydrophobicContact CZ-CG 3.9Å; F63-I113 HydrophobicContact CB-CD1 3.83Å; F63-I113 HydrophobicContact CB-CG1 3.9Å; F63-I113 HydrophobicContact CB-CG2 4.04Å; F63-I113 HydrophobicContact CD1-CD1 3.67Å; F63-I113 HydrophobicContact CD1-CG1 3.45Å; F63-I113 VanDerWaalsContact CD1-CG1 3.45Å; F63-I113 HydrophobicContact CD2-CD1 3.64Å; F63-I113 HydrophobicContact CD2-CG1 4.35Å; F63-I113 HydrophobicContact CE1-CD1 4.09Å; F63-I113 HydrophobicContact CE1-CG1 4.02Å; F63-I113 HydrophobicContact CE2-CD1 4.08Å; F63-I113 HydrophobicContact CG-CD1 3.42Å; F63-I113 VanDerWaalsContact CG-CD1 3.42Å; F63-I113 HydrophobicContact CG-CG1 3.64Å; F63-I113 HydrophobicContact CZ-CD1 4.29Å; F63-P117 WeakPolarHBondContact O-CA 3.3Å; F63-T118 PolarHBondContact N-O 3.27Å; F63-T118 PolarHBondContact O-N 2.89Å; F63-K120 HydrophobicContact CD2-CD 4.35Å; F63-K120 HydrophobicContact CD2-CG 4.21Å; F63-K120 HydrophobicContact CE2-CB 4.05Å; F63-K120 HydrophobicContact CE2-CD 3.85Å; F63-K120 HydrophobicContact CE2-CG 3.97Å; F63-F122 HydrophobicContact CE2-CE2 4.4Å
64	Y	96.9	Very high	94	Very high	7 Å²	7	16.8 Å²	16.8	3%	0.027	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	171.7	-174.1	76.9	-84	0	0	0	111.6	G32 L33 Y34 C71 A96 I97 D98 C99	G32-Y64 WeakPolarHBondContact CA-OH 3.31Å; L33-Y64 HydrophobicContact CB-CE2 3.93Å; L33-Y64 HydrophobicContact CD1-CD2 3.64Å; L33-Y64 HydrophobicContact CD1-CE2 3.77Å; L33-Y64 HydrophobicContact CG-CD2 4.06Å; L33-Y64 HydrophobicContact CG-CE2 3.63Å; L33-Y64 PolarHBondContact N-OH 3Å; L33-Y64 VanDerWaalsContact N-OH 3.13Å; Y34-Y64 HydrophobicContact CD2-CD1 4.27Å; Y34-Y64 AromaticContact CD2-CE1 3.61Å; Y34-Y64 HydrophobicContact CD2-CE1 3.61Å; Y34-Y64 AromaticContact CD2-CZ 3.78Å; Y34-Y64 AromaticContact CE2-CD1 3.86Å; Y34-Y64 HydrophobicContact CE2-CD1 3.86Å; Y34-Y64 AromaticContact CE2-CE1 3.69Å; Y34-Y64 HydrophobicContact CE2-CE1 3.69Å; Y34-Y64 HydrophobicContact CE2-CG 4.35Å; Y64-C71 HydrophobicContact CD2-CB 4.47Å; Y64-A96 HydrophobicContact CD1-CB 4.17Å; Y64-A96 HydrophobicContact CE1-CB 3.89Å; Y64-I97 WeakPolarHBondContact CD1-O 3.48Å; Y64-I97 VanDerWaalsContact CE1-C 3.46Å; Y64-I97 WeakPolarHBondContact CE1-O 3.43Å; Y64-I97 PolarHBondContact N-O 2.79Å; Y64-D98 HydrophobicContact CE1-CB 4.05Å; Y64-D98 HydrophobicContact CE2-CB 3.92Å; Y64-C99 WeakPolarHBondContact O-CB 3.46Å; Y64-C99 PolarHBondContact O-N 3.43Å
65	A	95.3	Very high	94.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	8%	0.076	C	C	.	.			trans	-124.4	124.8	166.8	0	0	0	0	0	108.2	W67 C68 C71 D98 A100 Y116	A65-W67 HydrophobicContact CB-CD2 4.36Å; A65-W67 HydrophobicContact CB-CZ2 4.08Å; A65-W67 PolarHBondContact O-N 3.09Å; A65-C68 HydrophobicContact CB-CB 3.99Å; A65-C68 WeakPolarHBondContact O-CB 3.48Å; A65-C68 PolarHBondContact O-N 3.33Å; A65-C71 WeakPolarHBondContact O-CB 3.5Å; A65-D98 WeakPolarHBondContact CA-OD1 3.36Å; A65-A100 HydrophobicContact CB-CB 3.96Å; A65-Y116 HydrophobicContact CB-CD1 4.46Å; A65-Y116 HydrophobicContact CB-CD2 3.4Å; A65-Y116 VanDerWaalsContact CB-CD2 3.4Å; A65-Y116 HydrophobicContact CB-CE2 3.69Å; A65-Y116 HydrophobicContact CB-CG 3.82Å
66	S	93.5	Very high	94.9	Very high	16 Å²	16	13.4 Å²	13.4	11%	0.112	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-35.1	-175.2	45.3	0	0	0	0	113.5	C68 I72 D98 H402	S66-C68 VanDerWaalsContact C-N 3.31Å; S66-C68 PolarHBondContact O-N 3.42Å; S66-I72 WeakPolarHBondContact O-CG1 3.42Å; S66-D98 WeakPolarHBondContact CB-OD2 3.27Å; S66-D98 PolarHBondContact N-OD1 3.43Å; S66-D98 PolarHBondContact OG-OD2 2.75Å; S66-H402 VanDerWaalsContact O-CB 3.29Å; S66-H402 WeakPolarHBondContact O-CB 3.17Å
67	W	93.8	Very high	95.5	Very high	13 Å²	13	10.5 Å²	10.5	5%	0.049	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-9.3	176.9	57.2	-102.1	0	0	0	115.1	A65 G69 A100 Y311 E316 H402 Y406 P407 F444 C446	A65-W67 HydrophobicContact CB-CD2 4.36Å; A65-W67 HydrophobicContact CB-CZ2 4.08Å; A65-W67 PolarHBondContact O-N 3.09Å; W67-G69 PolarHBondContact O-N 2.65Å; W67-A100 VanDerWaalsContact CD1-CB 3.47Å; W67-Y311 AromaticContact CZ2-CE1 3.98Å; W67-Y311 HydrophobicContact CZ2-CE1 3.98Å; W67-Y311 AromaticContact NE1-CE1 3.88Å; W67-Y311 AromaticContact NE1-CZ 3.35Å; W67-Y311 VanDerWaalsContact NE1-CZ 3.35Å; W67-Y311 PolarHBondContact NE1-OH 3.06Å; W67-E316 VanDerWaalsContact CZ2-OE1 3.28Å; W67-E316 WeakPolarHBondContact CZ2-OE1 3.24Å; W67-H402 WeakPolarHBondContact CA-O 3.35Å; W67-Y406 HydrophobicContact CD2-CD1 4.37Å; W67-Y406 AromaticContact CE2-CD1 3.99Å; W67-Y406 HydrophobicContact CE3-CD1 4.5Å; W67-Y406 AromaticContact CH2-CD1 3.92Å; W67-Y406 HydrophobicContact CH2-CD1 3.92Å; W67-Y406 HydrophobicContact CH2-CE1 4.32Å; W67-Y406 AromaticContact CZ2-CD1 3.77Å; W67-Y406 HydrophobicContact CZ2-CD1 3.77Å; W67-Y406 HydrophobicContact CZ2-CE1 4.35Å; W67-Y406 HydrophobicContact CZ3-CD1 4.28Å; W67-P407 HydrophobicContact CB-CG 4.45Å; W67-P407 HydrophobicContact CD2-CG 4.17Å; W67-P407 HydrophobicContact CE3-CG 3.38Å; W67-P407 HydrophobicContact CZ3-CG 4.01Å; W67-F444 HydrophobicContact CH2-CE2 4.17Å; W67-F444 HydrophobicContact CH2-CZ 4.3Å; W67-F444 HydrophobicContact CZ3-CE1 4.43Å; W67-F444 HydrophobicContact CZ3-CE2 4.08Å; W67-F444 AromaticContact CZ3-CZ 3.81Å; W67-F444 HydrophobicContact CZ3-CZ 3.81Å; W67-C446 HydrophobicContact CZ3-CB 4.2Å
68	C	97.1	Very high	96	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.007	6%	0.062	C	C	.	.			trans	-76.3	116.5	-175.4	171.9	0	0	0	0	110.4	A65 S66 H70 C71 I72 C446	A65-C68 HydrophobicContact CB-CB 3.99Å; A65-C68 WeakPolarHBondContact O-CB 3.48Å; A65-C68 PolarHBondContact O-N 3.33Å; S66-C68 VanDerWaalsContact C-N 3.31Å; S66-C68 PolarHBondContact O-N 3.42Å; C68-H70 PolarHBondContact O-N 3Å; C68-C71 HydrophobicContact CB-CB 3.87Å; C68-C71 VanDerWaalsContact CB-SG 3.51Å; C68-C71 WeakPolarHBondContact O-CA 3.33Å; C68-C71 WeakPolarHBondContact O-CB 3.46Å; C68-C71 PolarHBondContact O-N 3.23Å; C68-C71 PolarHBondContact SG-SG 3.45Å; C68-I72 WeakPolarHBondContact O-CG1 3.31Å; C68-I72 PolarHBondContact O-N 3.26Å; C68-C446 HydrophobicContact CB-CB 4.32Å; C68-C446 WeakPolarHBondContact SG-CB 3.06Å; C68-C446 PolarHBondContact SG-SG 3.29Å
69	G	95.1	Very high	96.2	Very high	17 Å²	17	12.3 Å²	12.3	18%	0.175	7%	0.071	C	C	.	.	H	α-helix	trans	-58.5	-31.8	-179.7	0	0	0	0	0	114.2	W67 S73 S490	W67-G69 PolarHBondContact O-N 2.65Å; G69-S73 WeakPolarHBondContact O-CB 3.33Å; G69-S73 PolarHBondContact O-N 3.23Å; G69-S73 PolarHBondContact O-OG 2.85Å; G69-S490 VanDerWaalsContact CA-CB 3.47Å
70	H	95.9	Very high	96.4	Very high	38 Å²	38	18 Å²	18	18%	0.176	10%	0.095	C	C	.	.	H	α-helix	trans	-69.6	-36.5	173.2	-171.5	-145.9	0	0	0	112.5	C68 S73 F74 P117 Y448	C68-H70 PolarHBondContact O-N 3Å; H70-S73 PolarHBondContact O-OG 2.92Å; H70-S73 VanDerWaalsContact O-OG 3.08Å; H70-F74 WeakPolarHBondContact O-CB 3.44Å; H70-F74 PolarHBondContact O-N 3.29Å; H70-P117 VanDerWaalsContact ND1-CD 3.26Å; H70-P117 WeakPolarHBondContact ND1-CD 3.46Å; H70-Y448 HydrophobicContact CB-CD1 4.08Å; H70-Y448 HydrophobicContact CB-CG 4.21Å; H70-Y448 AromaticContact CG-CG 3.94Å
71	C	97.2	Very high	96.4	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-68.6	-45.2	174.7	-60.7	0	0	0	0	111.2	L33 Y64 A65 C68 S73 F74 S75 Y116	L33-C71 HydrophobicContact CD1-CB 3.92Å; Y64-C71 HydrophobicContact CD2-CB 4.47Å; A65-C71 WeakPolarHBondContact O-CB 3.5Å; C68-C71 HydrophobicContact CB-CB 3.87Å; C68-C71 VanDerWaalsContact CB-SG 3.51Å; C68-C71 WeakPolarHBondContact O-CA 3.33Å; C68-C71 WeakPolarHBondContact O-CB 3.46Å; C68-C71 PolarHBondContact O-N 3.23Å; C68-C71 PolarHBondContact SG-SG 3.45Å; C71-S73 VanDerWaalsContact C-N 3.31Å; C71-S73 PolarHBondContact O-N 3.38Å; C71-F74 PolarHBondContact O-N 3.47Å; C71-F74 VanDerWaalsContact O-N 3.13Å; C71-S75 PolarHBondContact O-N 3.21Å; C71-Y116 VanDerWaalsContact SG-CB 3.56Å
72	I	95.9	Very high	96.4	Very high	11 Å²	11	18.2 Å²	18.2	6%	0.056	10%	0.097	C	C	.	.	H	α-helix	trans	-54.8	-50.5	176.5	-64.6	164.8	0	0	0	109.9	L33 S66 C68 F74 S75 P76 L489	L33-I72 HydrophobicContact CD1-CG1 4.22Å; L33-I72 HydrophobicContact CD2-CB 4.49Å; L33-I72 HydrophobicContact CD2-CG1 3.79Å; S66-I72 WeakPolarHBondContact O-CG1 3.42Å; C68-I72 WeakPolarHBondContact O-CG1 3.31Å; C68-I72 PolarHBondContact O-N 3.26Å; I72-F74 VanDerWaalsContact C-N 3.32Å; I72-F74 PolarHBondContact O-N 2.8Å; I72-S75 PolarHBondContact O-N 3.26Å; I72-S75 PolarHBondContact O-OG 3.16Å; I72-P76 WeakPolarHBondContact O-CD 3.41Å; I72-L489 HydrophobicContact CG2-CB 4.31Å; I72-L489 WeakPolarHBondContact CG2-O 3.47Å
73	S	94.6	Very high	96.3	Very high	11 Å²	11	24.1 Å²	24.1	8%	0.077	12%	0.12	C	C	.	.	H	α-helix	trans	-71.8	-23.2	-179	65.9	0	0	0	0	113.8	G69 H70 C71 P76 R140	G69-S73 WeakPolarHBondContact O-CB 3.33Å; G69-S73 PolarHBondContact O-N 3.23Å; G69-S73 PolarHBondContact O-OG 2.85Å; H70-S73 PolarHBondContact O-OG 2.92Å; H70-S73 VanDerWaalsContact O-OG 3.08Å; C71-S73 VanDerWaalsContact C-N 3.31Å; C71-S73 PolarHBondContact O-N 3.38Å; S73-P76 WeakPolarHBondContact O-CD 3Å; S73-R140 PolarHBondContact O-NH2 3.02Å; S73-R140 PolarHBondContact OG-NH2 2.81Å
74	F	96.6	Very high	96.2	Very high	1 Å²	1	26.7 Å²	26.7	0%	0.004	13%	0.133	C	C	.	.	H	α-helix	trans	-82.1	-26.2	174.1	-175.4	-108.7	0	0	0	113	E62 H70 C71 I72 I77 Y78 P117 I119 F138 L145	E62-F74 WeakPolarHBondContact OE1-CD1 3.39Å; H70-F74 WeakPolarHBondContact O-CB 3.44Å; H70-F74 PolarHBondContact O-N 3.29Å; C71-F74 PolarHBondContact O-N 3.47Å; C71-F74 VanDerWaalsContact O-N 3.13Å; I72-F74 VanDerWaalsContact C-N 3.32Å; I72-F74 PolarHBondContact O-N 2.8Å; F74-I77 HydrophobicContact CD2-CB 4.21Å; F74-I77 HydrophobicContact CD2-CD1 3.96Å; F74-I77 HydrophobicContact CD2-CG2 4.48Å; F74-I77 HydrophobicContact CE2-CB 4.21Å; F74-I77 HydrophobicContact CE2-CD1 4.44Å; F74-I77 HydrophobicContact CE2-CG2 4.01Å; F74-I77 WeakPolarHBondContact O-CA 3.4Å; F74-I77 WeakPolarHBondContact O-CB 3.49Å; F74-I77 PolarHBondContact O-N 2.95Å; F74-Y78 AromaticContact CE1-CD2 3.92Å; F74-Y78 HydrophobicContact CE1-CD2 3.92Å; F74-Y78 HydrophobicContact CE1-CG 4.25Å; F74-Y78 HydrophobicContact CZ-CD2 4.43Å; F74-Y78 PolarHBondContact O-N 3.34Å; F74-Y78 VanDerWaalsContact O-N 3.13Å; F74-P117 HydrophobicContact CD1-CG 4.28Å; F74-P117 HydrophobicContact CG-CG 4.49Å; F74-I119 HydrophobicContact CE1-CD1 3.9Å; F74-I119 HydrophobicContact CZ-CD1 3.78Å; F74-F138 HydrophobicContact CD2-CE2 4.25Å; F74-F138 HydrophobicContact CE1-CE2 4.06Å; F74-F138 HydrophobicContact CE2-CD2 4.01Å; F74-F138 AromaticContact CE2-CE2 3.69Å; F74-F138 HydrophobicContact CE2-CE2 3.69Å; F74-F138 AromaticContact CZ-CD2 3.99Å; F74-F138 HydrophobicContact CZ-CD2 3.99Å; F74-F138 AromaticContact CZ-CE2 3.59Å; F74-F138 HydrophobicContact CZ-CE2 3.59Å; F74-L145 HydrophobicContact CE2-CD1 4.31Å; F74-L145 HydrophobicContact CZ-CD1 4.2Å
75	S	96.4	Very high	96.2	Very high	12 Å²	12	26.6 Å²	26.6	8%	0.084	13%	0.133	C	C	.	.	H	α-helix	trans	-54.4	-36.9	-175.8	73.1	0	0	0	0	115.6	Y34 C71 I72 I77 Y78 K79	Y34-S75 WeakPolarHBondContact OH-CA 3.39Å; C71-S75 PolarHBondContact O-N 3.21Å; I72-S75 PolarHBondContact O-N 3.26Å; I72-S75 PolarHBondContact O-OG 3.16Å; S75-I77 VanDerWaalsContact C-N 3.29Å; S75-I77 PolarHBondContact O-N 2.8Å; S75-Y78 PolarHBondContact O-N 2.77Å; S75-K79 WeakPolarHBondContact O-CB 3.42Å; S75-K79 VanDerWaalsContact O-CG 3.25Å; S75-K79 WeakPolarHBondContact O-CG 3.34Å; S75-K79 PolarHBondContact O-N 3.38Å
76	P	96.3	Very high	96	Very high	58 Å²	58	31 Å²	31	38%	0.377	15%	0.152	S	C	.	.	H	α-helix	trans	-66.6	-31.9	176.3	-19.5	34.2	0	0	0	112.8	I72 S73 K80 L489	I72-P76 WeakPolarHBondContact O-CD 3.41Å; S73-P76 WeakPolarHBondContact O-CD 3Å; P76-K80 WeakPolarHBondContact O-CB 3.38Å; P76-K80 PolarHBondContact O-N 3.47Å; P76-L489 HydrophobicContact CG-CD1 3.85Å
77	I	97.6	Very high	95.9	Very high	26 Å²	26	31.2 Å²	31.2	13%	0.133	15%	0.151	C	C	.	.	H	α-helix	trans	-69.9	-46.7	177.8	-60.8	159.7	0	0	0	109.2	F74 S75 K79 K80 L81 R140 V142 L145	F74-I77 HydrophobicContact CD2-CB 4.21Å; F74-I77 HydrophobicContact CD2-CD1 3.96Å; F74-I77 HydrophobicContact CD2-CG2 4.48Å; F74-I77 HydrophobicContact CE2-CB 4.21Å; F74-I77 HydrophobicContact CE2-CD1 4.44Å; F74-I77 HydrophobicContact CE2-CG2 4.01Å; F74-I77 WeakPolarHBondContact O-CA 3.4Å; F74-I77 WeakPolarHBondContact O-CB 3.49Å; F74-I77 PolarHBondContact O-N 2.95Å; S75-I77 VanDerWaalsContact C-N 3.29Å; S75-I77 PolarHBondContact O-N 2.8Å; I77-K79 VanDerWaalsContact C-N 3.34Å; I77-K79 PolarHBondContact O-N 3.48Å; I77-K80 WeakPolarHBondContact O-CB 3.23Å; I77-K80 PolarHBondContact O-N 2.97Å; I77-K80 VanDerWaalsContact O-N 3.11Å; I77-L81 PolarHBondContact O-N 3.3Å; I77-R140 HydrophobicContact CD1-CB 3.55Å; I77-R140 HydrophobicContact CD1-CG 3.66Å; I77-R140 WeakPolarHBondContact CG2-O 3.28Å; I77-V142 HydrophobicContact CG2-CG2 4.11Å; I77-L145 HydrophobicContact CG2-CD1 3.79Å
78	Y	97.6	Very high	95.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.6	-40.6	177.8	-162.8	-109.6	0	0	0	111.9	Y34 I40 V60 E62 F74 S75 L81 A82 M94 A95 A96	Y34-Y78 AromaticContact CE1-CD1 3.8Å; Y34-Y78 HydrophobicContact CE1-CD1 3.8Å; Y34-Y78 AromaticContact CZ-CD1 3.73Å; Y34-Y78 WeakPolarHBondContact OH-CB 3.5Å; I40-Y78 HydrophobicContact CD1-CD1 3.56Å; I40-Y78 HydrophobicContact CD1-CE1 3.82Å; I40-Y78 HydrophobicContact CG1-CD1 4.38Å; I40-Y78 HydrophobicContact CG1-CE1 4.16Å; I40-Y78 HydrophobicContact CG2-CE1 4.12Å; V60-Y78 PolarHBondContact O-OH 2.95Å; E62-Y78 HydrophobicContact CB-CD1 4.42Å; E62-Y78 HydrophobicContact CB-CD2 4.48Å; E62-Y78 HydrophobicContact CB-CE1 3.93Å; E62-Y78 HydrophobicContact CB-CE2 3.98Å; F74-Y78 AromaticContact CE1-CD2 3.92Å; F74-Y78 HydrophobicContact CE1-CD2 3.92Å; F74-Y78 HydrophobicContact CE1-CG 4.25Å; F74-Y78 HydrophobicContact CZ-CD2 4.43Å; F74-Y78 PolarHBondContact O-N 3.34Å; F74-Y78 VanDerWaalsContact O-N 3.13Å; S75-Y78 PolarHBondContact O-N 2.77Å; Y78-L81 PolarHBondContact O-N 3.32Å; Y78-A82 PolarHBondContact O-N 3.25Å; Y78-M94 HydrophobicContact CD1-CE 4.07Å; Y78-M94 HydrophobicContact CD2-CE 3.55Å; Y78-M94 HydrophobicContact CE1-CE 3.73Å; Y78-M94 HydrophobicContact CE2-CE 3.17Å; Y78-M94 HydrophobicContact CG-CE 3.97Å; Y78-A95 PolarHBondContact OH-O 3.49Å; Y78-A96 HydrophobicContact CE1-CB 4.38Å
79	K	97.2	Very high	95.4	Very high	42 Å²	42	32.2 Å²	32.2	18%	0.183	16%	0.156	C	C	.	.	H	α-helix	trans	-62.4	-40	171	-70.2	174.7	-176.3	-158.4	0	112.8	L33 Y34 D38 I40 S75 I77 A82 R83	L33-K79 WeakPolarHBondContact O-CE 3.19Å; L33-K79 PolarHBondContact O-NZ 3.47Å; Y34-K79 HydrophobicContact CD1-CD 4.39Å; Y34-K79 VanDerWaalsContact CD1-CE 3.49Å; Y34-K79 HydrophobicContact CD1-CG 3.91Å; Y34-K79 HydrophobicContact CE1-CD 4.49Å; Y34-K79 HydrophobicContact CE1-CG 3.87Å; D38-K79 HydrophobicContact CB-CG 4.25Å; D38-K79 VanDerWaalsContact OD1-CD 3.29Å; D38-K79 WeakPolarHBondContact OD1-CD 3.37Å; D38-K79 IonicContact OD1-NZ 3.43Å; D38-K79 VanDerWaalsContact OD2-CE 3.23Å; D38-K79 WeakPolarHBondContact OD2-CE 3.39Å; D38-K79 IonicContact OD2-NZ 3.51Å; D38-K79 PolarHBondContact OD2-NZ 3.46Å; D38-K79 VanDerWaalsContact OD2-NZ 3.13Å; I40-K79 HydrophobicContact CD1-CG 4.24Å; S75-K79 WeakPolarHBondContact O-CB 3.42Å; S75-K79 VanDerWaalsContact O-CG 3.25Å; S75-K79 WeakPolarHBondContact O-CG 3.34Å; S75-K79 PolarHBondContact O-N 3.38Å; I77-K79 VanDerWaalsContact C-N 3.34Å; I77-K79 PolarHBondContact O-N 3.48Å; K79-A82 PolarHBondContact O-N 3.28Å; K79-R83 PolarHBondContact O-N 3.44Å; K79-R83 VanDerWaalsContact O-N 3.11Å
80	K	97.3	Very high	95	Very high	123 Å²	123	35.5 Å²	35.5	54%	0.535	17%	0.174	S	C	.	.	H	α-helix	trans	-65.5	-43.2	177	-174	178.3	171.9	-174.7	0	110.8	P76 I77 R83 D84 V142	P76-K80 WeakPolarHBondContact O-CB 3.38Å; P76-K80 PolarHBondContact O-N 3.47Å; I77-K80 WeakPolarHBondContact O-CB 3.23Å; I77-K80 PolarHBondContact O-N 2.97Å; I77-K80 VanDerWaalsContact O-N 3.11Å; K80-R83 PolarHBondContact O-N 3.28Å; K80-D84 WeakPolarHBondContact O-CB 3.23Å; K80-D84 PolarHBondContact O-N 3.45Å; K80-V142 HydrophobicContact CB-CG2 4.1Å; K80-V142 HydrophobicContact CD-CG2 3.83Å; K80-V142 HydrophobicContact CG-CG2 3.93Å
81	L	97.7	Very high	94.6	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.016	17%	0.17	C	C	.	.	H	α-helix	trans	-59.4	-47.3	173.8	-179.9	65	0	0	0	111.2	I77 Y78 R83 D84 I85 M94 V142 L145 R146 I149	I77-L81 PolarHBondContact O-N 3.3Å; Y78-L81 PolarHBondContact O-N 3.32Å; L81-R83 VanDerWaalsContact C-N 3.26Å; L81-R83 PolarHBondContact O-N 3.14Å; L81-D84 WeakPolarHBondContact O-CB 3.38Å; L81-D84 PolarHBondContact O-N 3.5Å; L81-I85 HydrophobicContact CD1-CG2 4.02Å; L81-I85 WeakPolarHBondContact O-CG1 3.13Å; L81-I85 PolarHBondContact O-N 2.85Å; L81-M94 HydrophobicContact CB-CE 4.15Å; L81-M94 HydrophobicContact CB-SD 4.43Å; L81-M94 HydrophobicContact CD2-CE 3.7Å; L81-M94 HydrophobicContact CD2-SD 4.23Å; L81-M94 HydrophobicContact CG-CE 3.89Å; L81-M94 HydrophobicContact CG-SD 3.91Å; L81-V142 HydrophobicContact CB-CG1 4.27Å; L81-V142 HydrophobicContact CD1-CG1 3.88Å; L81-L145 HydrophobicContact CD1-CB 4.15Å; L81-L145 HydrophobicContact CD2-CB 3.7Å; L81-L145 HydrophobicContact CD2-CD1 4.15Å; L81-L145 HydrophobicContact CD2-CG 4.4Å; L81-R146 HydrophobicContact CD1-CB 4.35Å; L81-I149 HydrophobicContact CD1-CD1 4.44Å; L81-I149 HydrophobicContact CD2-CD1 4.13Å
82	A	96.7	Very high	94.3	Very high	4 Å²	4	34.3 Å²	34.3	3%	0.033	17%	0.171	C	C	.	.	H	α-helix	trans	-58.5	-36.3	177.6	0	0	0	0	0	113.4	I40 Y78 K79 K86 M94	I40-A82 HydrophobicContact CD1-CB 4.05Å; I40-A82 HydrophobicContact CG1-CB 3.65Å; Y78-A82 PolarHBondContact O-N 3.25Å; K79-A82 PolarHBondContact O-N 3.28Å; A82-K86 PolarHBondContact O-N 3.27Å; A82-M94 WeakPolarHBondContact CA-SD 3.44Å; A82-M94 HydrophobicContact CB-CE 4.16Å; A82-M94 HydrophobicContact CB-SD 3.67Å; A82-M94 PolarHBondContact N-SD 2.95Å
83	R	95.9	Very high	94.2	Very high	124 Å²	124	35.5 Å²	35.5	47%	0.468	18%	0.177	S	C	.	.	H	α-helix	trans	-72.1	-37.8	172.2	-70.6	-172.2	-64.2	-88.4	0.4	113.1	K79 K80 L81 K86	K79-R83 PolarHBondContact O-N 3.44Å; K79-R83 VanDerWaalsContact O-N 3.11Å; K80-R83 PolarHBondContact O-N 3.28Å; L81-R83 VanDerWaalsContact C-N 3.26Å; L81-R83 PolarHBondContact O-N 3.14Å; R83-K86 WeakPolarHBondContact O-CG 3.41Å
84	D	96.6	Very high	94.2	Very high	53 Å²	53	35.2 Å²	35.2	28%	0.283	18%	0.175	S	C	.	.	H	α-helix	trans	-69.1	-32.3	-177.8	-173.9	79.7	0	0	0	113.2	K80 L81 V142 R146 R257	K80-D84 WeakPolarHBondContact O-CB 3.23Å; K80-D84 PolarHBondContact O-N 3.45Å; L81-D84 WeakPolarHBondContact O-CB 3.38Å; L81-D84 PolarHBondContact O-N 3.5Å; D84-V142 HydrophobicContact CB-CG1 4.04Å; D84-R146 IonicContact OD1-NH2 2.93Å; D84-R146 PolarHBondContact OD1-NH2 3.26Å; D84-R146 IonicContact OD2-CZ 3.31Å; D84-R146 IonicContact OD2-NE 3.23Å; D84-R146 PolarHBondContact OD2-NE 2.92Å; D84-R146 IonicContact OD2-NH2 3.3Å; D84-R146 PolarHBondContact OD2-NH2 3.41Å; D84-R257 PolarHBondContact O-NH2 3.37Å; D84-R257 VanDerWaalsContact O-NH2 3.12Å; D84-R257 IonicContact OD1-NH1 3.59Å; D84-R257 PolarHBondContact OD1-NH1 2.81Å; D84-R257 IonicContact OD2-CZ 2.79Å; D84-R257 IonicContact OD2-NH1 2.81Å; D84-R257 PolarHBondContact OD2-NH1 3.48Å; D84-R257 IonicContact OD2-NH2 2.93Å
85	I	95.4	Very high	94.2	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.026	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	16.3	-179.7	74	170.9	0	0	0	113.5	L81 E87 W88 V92 M94 R146 I149	L81-I85 HydrophobicContact CD1-CG2 4.02Å; L81-I85 WeakPolarHBondContact O-CG1 3.13Å; L81-I85 PolarHBondContact O-N 2.85Å; I85-E87 PolarHBondContact O-N 3.15Å; I85-E87 VanDerWaalsContact O-N 3.09Å; I85-W88 HydrophobicContact CB-CB 4.41Å; I85-W88 HydrophobicContact CB-CD2 3.64Å; I85-W88 HydrophobicContact CB-CE3 3.92Å; I85-W88 HydrophobicContact CB-CG 3.84Å; I85-W88 HydrophobicContact CD1-CE3 4.17Å; I85-W88 HydrophobicContact CG2-CD2 3.9Å; I85-W88 HydrophobicContact CG2-CE3 4.02Å; I85-W88 HydrophobicContact CG2-CH2 4.24Å; I85-W88 HydrophobicContact CG2-CZ2 4.09Å; I85-W88 HydrophobicContact CG2-CZ3 4.18Å; I85-W88 VanDerWaalsContact O-CB 3.24Å; I85-W88 WeakPolarHBondContact O-CB 2.8Å; I85-W88 PolarHBondContact O-N 3.27Å; I85-V92 HydrophobicContact CD1-CG1 4.22Å; I85-M94 HydrophobicContact CD1-CG 3.95Å; I85-M94 HydrophobicContact CD1-SD 3.61Å; I85-M94 HydrophobicContact CG1-SD 3.92Å; I85-R146 HydrophobicContact CG2-CG 4.14Å; I85-I149 HydrophobicContact CD1-CD1 3.81Å
86	K	91.8	Very high	94.2	Very high	92 Å²	92	34.7 Å²	34.7	40%	0.4	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-55.7	-31.3	-176.8	66.8	178.4	179.6	164.1	0	114	Q39 A82 R83 W88 Q210	Q39-K86 VanDerWaalsContact OE1-CB 3.23Å; A82-K86 PolarHBondContact O-N 3.27Å; R83-K86 WeakPolarHBondContact O-CG 3.41Å; K86-W88 VanDerWaalsContact C-N 3.26Å; K86-W88 PolarHBondContact O-N 3.43Å; K86-Q210 PolarHBondContact O-NE2 3.41Å
87	E	90.6	Very high	94.2	Very high	21 Å²	21	32 Å²	32	10%	0.098	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-80	-9.9	-178.4	-57.7	-53.2	149.7	0	0	112.2	I85 K89 D207 Q210 R272	I85-E87 PolarHBondContact O-N 3.15Å; I85-E87 VanDerWaalsContact O-N 3.09Å; E87-K89 PolarHBondContact O-N 3.42Å; E87-D207 WeakPolarHBondContact CB-O 3.32Å; E87-Q210 PolarHBondContact O-NE2 3.26Å; E87-Q210 PolarHBondContact OE2-OE1 3.36Å; E87-R272 IonicContact OE1-CZ 3.62Å; E87-R272 IonicContact OE1-NH1 2.91Å; E87-R272 IonicContact OE1-NH2 2.67Å; E87-R272 PolarHBondContact OE1-NH2 2.9Å; E87-R272 IonicContact OE2-CZ 3.26Å; E87-R272 VanDerWaalsContact OE2-CZ 3.23Å; E87-R272 IonicContact OE2-NE 3.35Å; E87-R272 IonicContact OE2-NH1 3.77Å; E87-R272 IonicContact OE2-NH2 3.84Å; E87-R272 PolarHBondContact OE2-NH2 3.37Å
88	W	92.3	Very high	94	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-75.2	-3.3	177.9	-61.7	10.6	0	0	0	112.8	I85 K86 A91 V92 R146 I149 I150 L206 D207	I85-W88 HydrophobicContact CB-CB 4.41Å; I85-W88 HydrophobicContact CB-CD2 3.64Å; I85-W88 HydrophobicContact CB-CE3 3.92Å; I85-W88 HydrophobicContact CB-CG 3.84Å; I85-W88 HydrophobicContact CD1-CE3 4.17Å; I85-W88 HydrophobicContact CG2-CD2 3.9Å; I85-W88 HydrophobicContact CG2-CE3 4.02Å; I85-W88 HydrophobicContact CG2-CH2 4.24Å; I85-W88 HydrophobicContact CG2-CZ2 4.09Å; I85-W88 HydrophobicContact CG2-CZ3 4.18Å; I85-W88 VanDerWaalsContact O-CB 3.24Å; I85-W88 WeakPolarHBondContact O-CB 2.8Å; I85-W88 PolarHBondContact O-N 3.27Å; K86-W88 VanDerWaalsContact C-N 3.26Å; K86-W88 PolarHBondContact O-N 3.43Å; W88-A91 WeakPolarHBondContact O-CA 3.31Å; W88-A91 VanDerWaalsContact O-CB 3.27Å; W88-A91 WeakPolarHBondContact O-CB 3.46Å; W88-A91 PolarHBondContact O-N 2.82Å; W88-V92 HydrophobicContact CB-CB 4.22Å; W88-V92 HydrophobicContact CE3-CB 4.34Å; W88-V92 HydrophobicContact CE3-CG2 4.1Å; W88-V92 PolarHBondContact O-N 3.03Å; W88-R146 HydrophobicContact CH2-CG 3.22Å; W88-R146 HydrophobicContact CZ2-CG 3.51Å; W88-R146 HydrophobicContact CZ3-CG 4.17Å; W88-I149 HydrophobicContact CE3-CG2 4.23Å; W88-I149 HydrophobicContact CZ3-CB 4.13Å; W88-I149 HydrophobicContact CZ3-CG2 3.68Å; W88-I150 HydrophobicContact CH2-CD1 3.78Å; W88-I150 HydrophobicContact CH2-CG1 3.6Å; W88-I150 HydrophobicContact CZ2-CD1 4.33Å; W88-I150 HydrophobicContact CZ3-CG1 4.14Å; W88-L206 HydrophobicContact CD2-CB 3.79Å; W88-L206 HydrophobicContact CD2-CD1 3.91Å; W88-L206 HydrophobicContact CD2-CG 4.44Å; W88-L206 HydrophobicContact CE3-CD1 3.81Å; W88-L206 HydrophobicContact CG-CB 3.83Å; W88-L206 HydrophobicContact CH2-CD1 3.6Å; W88-L206 HydrophobicContact CZ2-CB 4.07Å; W88-L206 HydrophobicContact CZ2-CD1 3.75Å; W88-L206 HydrophobicContact CZ3-CD1 3.66Å; W88-D207 PolarHBondContact NE1-OD1 2.77Å
89	K	88.4	Confident	93.9	Very high	36 Å²	36	31.5 Å²	31.5	16%	0.157	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	146.3	169.6	-59.5	-173.3	177.4	177.5	0	110	E87 A91 N93 Q210	E87-K89 PolarHBondContact O-N 3.42Å; K89-A91 VanDerWaalsContact C-N 3.35Å; K89-N93 WeakPolarHBondContact CD-OD1 3.41Å; K89-N93 VanDerWaalsContact CE-OD1 3.22Å; K89-N93 WeakPolarHBondContact CE-OD1 3.38Å; K89-N93 VanDerWaalsContact CG-OD1 3.32Å; K89-N93 WeakPolarHBondContact CG-OD1 3.33Å; K89-Q210 WeakPolarHBondContact O-CG 3.35Å; K89-Q210 PolarHBondContact O-NE2 2.05Å
90	P	86.4	Confident	93.5	Very high	85 Å²	85	30.1 Å²	30.1	55%	0.552	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	cis	-86.5	7.8	0.3	36.2	-36.4	0	0	0	113.9	A57	A57-P90 WeakPolarHBondContact CA-O 3.45Å; A57-P90 WeakPolarHBondContact CB-O 3.23Å
91	A	87.8	Confident	93	Very high	10 Å²	10	24.7 Å²	24.7	8%	0.083	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-41.3	-176.4	0	0	0	0	0	113.2	A58 W88 K89 L165 L209	A58-A91 PolarHBondContact N-O 3.25Å; W88-A91 WeakPolarHBondContact O-CA 3.31Å; W88-A91 VanDerWaalsContact O-CB 3.27Å; W88-A91 WeakPolarHBondContact O-CB 3.46Å; W88-A91 PolarHBondContact O-N 2.82Å; K89-A91 VanDerWaalsContact C-N 3.35Å; A91-L165 HydrophobicContact CB-CD1 4.01Å; A91-L165 HydrophobicContact CB-CD2 3.54Å; A91-L165 HydrophobicContact CB-CG 4.16Å; A91-L209 HydrophobicContact CB-CD1 3.6Å
92	V	91.8	Very high	92.2	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.018	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	131.8	-180	-174.1	0	0	0	0	110.5	A58 V60 I85 W88 I149 L153	A58-V92 WeakPolarHBondContact O-CA 3.47Å; V60-V92 HydrophobicContact CG2-CG1 3.91Å; I85-V92 HydrophobicContact CD1-CG1 4.22Å; W88-V92 HydrophobicContact CB-CB 4.22Å; W88-V92 HydrophobicContact CE3-CB 4.34Å; W88-V92 HydrophobicContact CE3-CG2 4.1Å; W88-V92 PolarHBondContact O-N 3.03Å; V92-I149 HydrophobicContact CG1-CG2 3.99Å; V92-I149 HydrophobicContact CG2-CG2 4.21Å; V92-L153 HydrophobicContact CG2-CD1 3.76Å; V92-L153 HydrophobicContact CG2-CD2 4.02Å; V92-L153 HydrophobicContact CG2-CG 4.34Å
93	N	92.6	Very high	91.7	Very high	36 Å²	36	31.1 Å²	31.1	19%	0.193	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	149.8	170.8	-78.3	-33.4	0	0	0	110.6	A57 A58 M59 V60 K89	A57-N93 HydrophobicContact CB-CB 4.47Å; A58-N93 PolarHBondContact O-N 3.15Å; M59-N93 WeakPolarHBondContact CA-O 3.32Å; M59-N93 HydrophobicContact CE-CB 3.8Å; M59-N93 HydrophobicContact SD-CB 3.59Å; M59-N93 VanDerWaalsContact SD-CB 3.59Å; V60-N93 PolarHBondContact N-O 3.43Å; K89-N93 WeakPolarHBondContact CD-OD1 3.41Å; K89-N93 VanDerWaalsContact CE-OD1 3.22Å; K89-N93 WeakPolarHBondContact CE-OD1 3.38Å; K89-N93 VanDerWaalsContact CG-OD1 3.32Å; K89-N93 WeakPolarHBondContact CG-OD1 3.33Å
94	M	95.4	Very high	91.4	Very high	6 Å²	6	25.6 Å²	25.6	3%	0.03	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	143.2	174.4	-65.8	-175.3	64.1	0	0	110.5	I40 V41 V60 Y78 L81 A82 I85	I40-M94 HydrophobicContact CG1-CB 4.39Å; V41-M94 PolarHBondContact N-O 3.04Å; V60-M94 HydrophobicContact CB-CG 4.28Å; V60-M94 CarbonylContact O-C 3.56Å; V60-M94 WeakPolarHBondContact O-CA 3.45Å; Y78-M94 HydrophobicContact CD1-CE 4.07Å; Y78-M94 HydrophobicContact CD2-CE 3.55Å; Y78-M94 HydrophobicContact CE1-CE 3.73Å; Y78-M94 HydrophobicContact CE2-CE 3.17Å; Y78-M94 HydrophobicContact CG-CE 3.97Å; L81-M94 HydrophobicContact CB-CE 4.15Å; L81-M94 HydrophobicContact CB-SD 4.43Å; L81-M94 HydrophobicContact CD2-CE 3.7Å; L81-M94 HydrophobicContact CD2-SD 4.23Å; L81-M94 HydrophobicContact CG-CE 3.89Å; L81-M94 HydrophobicContact CG-SD 3.91Å; A82-M94 WeakPolarHBondContact CA-SD 3.44Å; A82-M94 HydrophobicContact CB-CE 4.16Å; A82-M94 HydrophobicContact CB-SD 3.67Å; A82-M94 PolarHBondContact N-SD 2.95Å; I85-M94 HydrophobicContact CD1-CG 3.95Å; I85-M94 HydrophobicContact CD1-SD 3.61Å; I85-M94 HydrophobicContact CG1-SD 3.92Å
95	A	96.5	Very high	91	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	155.2	-178.5	0	0	0	0	0	111.3	V41 L43 M59 V60 V61 E62 Y78	V41-A95 HydrophobicContact CB-CB 4Å; V41-A95 CarbonylContact O-C 3.5Å; V41-A95 WeakPolarHBondContact O-CA 3.22Å; V41-A95 WeakPolarHBondContact O-CB 3.25Å; L43-A95 HydrophobicContact CD1-CB 3.83Å; L43-A95 HydrophobicContact CD2-CB 4.28Å; L43-A95 HydrophobicContact CG-CB 3.92Å; M59-A95 HydrophobicContact CE-CB 3.98Å; V60-A95 PolarHBondContact O-N 3.44Å; V61-A95 CarbonylContact C-O 3.57Å; V61-A95 VanDerWaalsContact CA-O 3.28Å; V61-A95 WeakPolarHBondContact CA-O 3.29Å; V61-A95 HydrophobicContact CG2-CB 4.29Å; E62-A95 PolarHBondContact N-O 3.13Å; Y78-A95 PolarHBondContact OH-O 3.49Å
96	A	96.8	Very high	90.7	Very high	2 Å²	2	29.4 Å²	29.4	2%	0.017	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	144.1	178.1	0	0	0	0	0	111.3	Y34 I40 V41 L43 E62 Y64 Y78	Y34-A96 HydrophobicContact CD2-CB 3.54Å; Y34-A96 HydrophobicContact CE2-CB 3.74Å; Y34-A96 HydrophobicContact CG-CB 4.29Å; I40-A96 HydrophobicContact CG2-CB 3.72Å; V41-A96 PolarHBondContact O-N 3.23Å; L43-A96 PolarHBondContact N-O 2.92Å; E62-A96 HydrophobicContact CB-CB 4.43Å; E62-A96 CarbonylContact O-C 3.57Å; E62-A96 VanDerWaalsContact O-CA 3.3Å; E62-A96 WeakPolarHBondContact O-CA 3.46Å; Y64-A96 HydrophobicContact CD1-CB 4.17Å; Y64-A96 HydrophobicContact CE1-CB 3.89Å; Y78-A96 HydrophobicContact CE1-CB 4.38Å
97	I	95.2	Very high	90.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	127.6	175.7	-171.3	166.2	0	0	0	110.5	L43 E62 F63 Y64 C99 N104 I107	L43-I97 HydrophobicContact CB-CB 3.95Å; L43-I97 HydrophobicContact CB-CD1 4.36Å; L43-I97 HydrophobicContact CB-CG1 4.33Å; E62-I97 PolarHBondContact O-N 3.38Å; F63-I97 HydrophobicContact CB-CG2 4.12Å; F63-I97 HydrophobicContact CD1-CG2 3.15Å; F63-I97 HydrophobicContact CE1-CG2 3.6Å; F63-I97 HydrophobicContact CG-CG2 3.69Å; F63-I97 HydrophobicContact CZ-CG2 4.42Å; Y64-I97 WeakPolarHBondContact CD1-O 3.48Å; Y64-I97 VanDerWaalsContact CE1-C 3.46Å; Y64-I97 WeakPolarHBondContact CE1-O 3.43Å; Y64-I97 PolarHBondContact N-O 2.79Å; I97-C99 PolarHBondContact O-N 3.32Å; I97-N104 HydrophobicContact CD1-CB 4.3Å; I97-N104 HydrophobicContact CG1-CB 4.28Å; I97-I107 HydrophobicContact CD1-CB 4.45Å; I97-I107 HydrophobicContact CD1-CG2 3.69Å
98	D	94.9	Very high	90.8	Very high	16 Å²	16	24.4 Å²	24.4	9%	0.086	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	100.9	173.8	-170.6	5.7	0	0	0	110.2	Y64 A65 S66 A100 A101 N104	Y64-D98 HydrophobicContact CE1-CB 4.05Å; Y64-D98 HydrophobicContact CE2-CB 3.92Å; A65-D98 WeakPolarHBondContact CA-OD1 3.36Å; S66-D98 WeakPolarHBondContact CB-OD2 3.27Å; S66-D98 PolarHBondContact N-OD1 3.43Å; S66-D98 PolarHBondContact OG-OD2 2.75Å; D98-A100 PolarHBondContact O-N 3.32Å; D98-A100 WeakPolarHBondContact OD1-CB 3.31Å; D98-A100 PolarHBondContact OD1-N 3.3Å; D98-A101 PolarHBondContact O-N 2.89Å; D98-N104 VanDerWaalsContact O-CB 3.27Å; D98-N104 WeakPolarHBondContact O-CB 3.25Å; D98-N104 PolarHBondContact O-ND2 2.89Å
99	C	94.2	Very high	90.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-4.3	175.3	-60.9	0	0	0	0	113.5	Y64 I97 A101 C108 Y116	Y64-C99 WeakPolarHBondContact O-CB 3.46Å; Y64-C99 PolarHBondContact O-N 3.43Å; I97-C99 PolarHBondContact O-N 3.32Å; C99-A101 VanDerWaalsContact C-N 3.31Å; C99-C108 WeakPolarHBondContact CA-SG 3.46Å; C99-C108 HydrophobicContact CB-CB 3.71Å; C99-C108 WeakPolarHBondContact CB-SG 3.39Å; C99-C108 WeakPolarHBondContact SG-CB 3.42Å; C99-C108 CovalentContact SG-SG 2.03Å; C99-C108 PolarHBondContact SG-SG 3.28Å; C99-Y116 HydrophobicContact CB-CD1 4.32Å; C99-Y116 HydrophobicContact CB-CE1 3.33Å; C99-Y116 WeakPolarHBondContact CB-OH 3.35Å
100	A	89.8	Confident	91	Very high	13 Å²	13	29 Å²	29	11%	0.107	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-16.9	172.7	0	0	0	0	0	113.5	A65 W67 D98 Y311	A65-A100 HydrophobicContact CB-CB 3.96Å; W67-A100 VanDerWaalsContact CD1-CB 3.47Å; D98-A100 PolarHBondContact O-N 3.32Å; D98-A100 WeakPolarHBondContact OD1-CB 3.31Å; D98-A100 PolarHBondContact OD1-N 3.3Å; A100-Y311 WeakPolarHBondContact CA-OH 3.31Å
101	A	86.4	Confident	91.3	Very high	9 Å²	9	26 Å²	26	7%	0.074	13%	0.132	C	C	.	.	S	Bend	trans	-78.7	129.7	175.2	0	0	0	0	0	110.3	D98 C99 E103 N104 V105	D98-A101 PolarHBondContact O-N 2.89Å; C99-A101 VanDerWaalsContact C-N 3.31Å; A101-E103 HydrophobicContact CB-CG 4.33Å; A101-E103 PolarHBondContact O-N 2.86Å; A101-E103 VanDerWaalsContact O-N 3.13Å; A101-N104 PolarHBondContact O-N 3.43Å; A101-V105 PolarHBondContact O-N 3.4Å
102	D	81.2	Confident	91.6	Very high	71 Å²	71	31.8 Å²	31.8	38%	0.38	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-52.9	-37.9	-177	-66.9	-26.6	0	0	0	113	N104 V105 V315	D102-N104 VanDerWaalsContact C-N 3.29Å; D102-N104 PolarHBondContact O-N 2.97Å; D102-V105 WeakPolarHBondContact O-CB 3.18Å; D102-V105 WeakPolarHBondContact O-CG2 3.36Å; D102-V105 PolarHBondContact O-N 3.19Å; D102-V315 WeakPolarHBondContact OD1-CG2 3.47Å
103	E	85.1	Confident	91.8	Very high	72 Å²	72	31.7 Å²	31.7	34%	0.336	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-65.2	-27.3	177.7	70.4	-155.2	174	0	0	113.8	A101 R287	A101-E103 HydrophobicContact CB-CG 4.33Å; A101-E103 PolarHBondContact O-N 2.86Å; A101-E103 VanDerWaalsContact O-N 3.13Å; E103-R287 IonicContact OE1-CZ 3.27Å; E103-R287 IonicContact OE1-NE 2.71Å; E103-R287 IonicContact OE1-NH2 3.9Å; E103-R287 PolarHBondContact OE1-NH2 3.25Å; E103-R287 IonicContact OE2-CZ 2.78Å; E103-R287 IonicContact OE2-NE 3.52Å; E103-R287 IonicContact OE2-NH2 3.5Å; E103-R287 PolarHBondContact OE2-NH2 2.82Å
104	N	90.4	Very high	91.8	Very high	7 Å²	7	37.9 Å²	37.9	4%	0.037	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-92.5	-9.8	-178.7	-68.1	-27.1	0	0	0	113	E45 I97 D98 A101 D102 K106 I107 C108	E45-N104 PolarHBondContact N-OD1 3.43Å; I97-N104 HydrophobicContact CD1-CB 4.3Å; I97-N104 HydrophobicContact CG1-CB 4.28Å; D98-N104 VanDerWaalsContact O-CB 3.27Å; D98-N104 WeakPolarHBondContact O-CB 3.25Å; D98-N104 PolarHBondContact O-ND2 2.89Å; A101-N104 PolarHBondContact O-N 3.43Å; D102-N104 VanDerWaalsContact C-N 3.29Å; D102-N104 PolarHBondContact O-N 2.97Å; N104-K106 VanDerWaalsContact C-N 3.32Å; N104-K106 PolarHBondContact O-N 3.35Å; N104-I107 PolarHBondContact O-N 3.45Å; N104-I107 VanDerWaalsContact O-N 3.14Å; N104-C108 PolarHBondContact O-N 3.31Å; N104-C108 PolarHBondContact O-SG 2.91Å; N104-C108 VanDerWaalsContact O-SG 3.39Å
105	V	88.1	Confident	91.7	Very high	14 Å²	14	37.7 Å²	37.7	9%	0.085	18%	0.175	C	C	.	.	H	α-helix	trans	-56.6	-46.7	-175.4	174.9	0	0	0	0	111.3	A101 D102 I107 C108 T109 V315 A318	A101-V105 PolarHBondContact O-N 3.4Å; D102-V105 WeakPolarHBondContact O-CB 3.18Å; D102-V105 WeakPolarHBondContact O-CG2 3.36Å; D102-V105 PolarHBondContact O-N 3.19Å; V105-I107 VanDerWaalsContact C-N 3.29Å; V105-I107 PolarHBondContact O-N 3.14Å; V105-C108 PolarHBondContact O-N 3.36Å; V105-T109 PolarHBondContact O-N 3.11Å; V105-T109 PolarHBondContact O-OG1 3.07Å; V105-T109 VanDerWaalsContact O-OG1 3.08Å; V105-V315 HydrophobicContact CG2-CB 4.34Å; V105-V315 HydrophobicContact CG2-CG1 3.72Å; V105-V315 HydrophobicContact CG2-CG2 4.13Å; V105-A318 HydrophobicContact CG1-CB 3.47Å; V105-A318 VanDerWaalsContact CG1-CB 3.47Å
106	K	89.2	Confident	91.7	Very high	125 Å²	125	37.8 Å²	37.8	54%	0.543	18%	0.175	S	C	.	.	H	α-helix	trans	-57	-44.3	179.8	-176.9	-177.7	170.9	-165	0	111.7	N104 T109 E110	N104-K106 VanDerWaalsContact C-N 3.32Å; N104-K106 PolarHBondContact O-N 3.35Å; K106-T109 WeakPolarHBondContact O-CB 3.39Å; K106-T109 PolarHBondContact O-N 3.36Å; K106-E110 WeakPolarHBondContact CE-OE1 3.34Å; K106-E110 WeakPolarHBondContact O-CG 3.46Å; K106-E110 PolarHBondContact O-N 3.46Å
107	I	91.6	Very high	91.7	Very high	8 Å²	8	38.3 Å²	38.3	4%	0.041	18%	0.178	C	C	.	.	H	α-helix	trans	-66.8	-46.3	179.1	-76.5	160.1	0	0	0	111.2	E45 V48 I97 N104 V105 T109 E110 Y111	E45-I107 HydrophobicContact CB-CD1 3.54Å; E45-I107 HydrophobicContact CG-CD1 3.64Å; V48-I107 HydrophobicContact CG1-CD1 3.7Å; V48-I107 HydrophobicContact CG1-CG1 4.24Å; V48-I107 HydrophobicContact CG1-CG2 4.22Å; V48-I107 HydrophobicContact CG2-CG2 4.32Å; I97-I107 HydrophobicContact CD1-CB 4.45Å; I97-I107 HydrophobicContact CD1-CG2 3.69Å; N104-I107 PolarHBondContact O-N 3.45Å; N104-I107 VanDerWaalsContact O-N 3.14Å; V105-I107 VanDerWaalsContact C-N 3.29Å; V105-I107 PolarHBondContact O-N 3.14Å; I107-T109 PolarHBondContact O-N 2.78Å; I107-E110 PolarHBondContact O-N 3.47Å; I107-E110 VanDerWaalsContact O-N 3.1Å; I107-Y111 HydrophobicContact CG2-CD2 3.66Å; I107-Y111 HydrophobicContact CG2-CE2 3.84Å; I107-Y111 VanDerWaalsContact O-CD2 3.31Å; I107-Y111 WeakPolarHBondContact O-CD2 3.44Å; I107-Y111 PolarHBondContact O-N 2.69Å
108	C	93.7	Very high	91.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.7	-33.6	178.1	-62.2	0	0	0	0	111.6	C99 N104 V105 K112 I113	C99-C108 WeakPolarHBondContact CA-SG 3.46Å; C99-C108 HydrophobicContact CB-CB 3.71Å; C99-C108 WeakPolarHBondContact CB-SG 3.39Å; C99-C108 WeakPolarHBondContact SG-CB 3.42Å; C99-C108 CovalentContact SG-SG 2.03Å; C99-C108 PolarHBondContact SG-SG 3.28Å; N104-C108 PolarHBondContact O-N 3.31Å; N104-C108 PolarHBondContact O-SG 2.91Å; N104-C108 VanDerWaalsContact O-SG 3.39Å; V105-C108 PolarHBondContact O-N 3.36Å; C108-K112 PolarHBondContact O-N 3.4Å; C108-I113 HydrophobicContact CB-CB 4.28Å; C108-I113 HydrophobicContact CB-CG1 4.27Å; C108-I113 WeakPolarHBondContact O-CB 3.48Å; C108-I113 WeakPolarHBondContact O-CG1 3.3Å; C108-I113 PolarHBondContact O-N 2.94Å
109	T	91.8	Very high	91.9	Very high	22 Å²	22	39 Å²	39	14%	0.135	18%	0.183	C	C	.	.	H	α-helix	trans	-66.2	-46.5	170.4	-60.6	0	0	0	0	112.7	V105 K106 I107 Y111 K112 A318	V105-T109 PolarHBondContact O-N 3.11Å; V105-T109 PolarHBondContact O-OG1 3.07Å; V105-T109 VanDerWaalsContact O-OG1 3.08Å; K106-T109 WeakPolarHBondContact O-CB 3.39Å; K106-T109 PolarHBondContact O-N 3.36Å; I107-T109 PolarHBondContact O-N 2.78Å; T109-Y111 VanDerWaalsContact C-N 3.33Å; T109-Y111 PolarHBondContact O-N 3.01Å; T109-K112 WeakPolarHBondContact O-CA 3.34Å; T109-K112 PolarHBondContact O-N 3.42Å; T109-A318 WeakPolarHBondContact CB-O 3.38Å; T109-A318 WeakPolarHBondContact CG2-O 3.41Å; T109-A318 VanDerWaalsContact OG1-C 3.29Å; T109-A318 PolarHBondContact OG1-O 3.4Å
110	E	91.4	Very high	92.1	Very high	110 Å²	110	39.6 Å²	39.6	51%	0.514	19%	0.186	S	C	.	.	H	α-helix	trans	-60.6	-41.7	178.1	-75.6	174.8	-172.2	0	0	111.8	K106 I107 K112 L131	K106-E110 WeakPolarHBondContact CE-OE1 3.34Å; K106-E110 WeakPolarHBondContact O-CG 3.46Å; K106-E110 PolarHBondContact O-N 3.46Å; I107-E110 PolarHBondContact O-N 3.47Å; I107-E110 VanDerWaalsContact O-N 3.1Å; E110-K112 PolarHBondContact O-N 3.01Å; E110-L131 WeakPolarHBondContact O-CD2 3.5Å
111	Y	93.8	Very high	92.3	Very high	22 Å²	22	39 Å²	39	9%	0.086	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	6.6	171.9	-76.3	-79.1	0	0	0	113.4	V48 L52 F63 I107 T109 I113 K120 F122 S130	V48-Y111 HydrophobicContact CG2-CE2 3.91Å; L52-Y111 HydrophobicContact CD1-CE1 4.29Å; F63-Y111 HydrophobicContact CE1-CD2 4.12Å; F63-Y111 AromaticContact CE1-CG 3.98Å; F63-Y111 HydrophobicContact CE1-CG 3.98Å; F63-Y111 HydrophobicContact CZ-CD1 4.19Å; F63-Y111 HydrophobicContact CZ-CD2 4.32Å; F63-Y111 AromaticContact CZ-CG 3.9Å; F63-Y111 HydrophobicContact CZ-CG 3.9Å; I107-Y111 HydrophobicContact CG2-CD2 3.66Å; I107-Y111 HydrophobicContact CG2-CE2 3.84Å; I107-Y111 VanDerWaalsContact O-CD2 3.31Å; I107-Y111 WeakPolarHBondContact O-CD2 3.44Å; I107-Y111 PolarHBondContact O-N 2.69Å; T109-Y111 VanDerWaalsContact C-N 3.33Å; T109-Y111 PolarHBondContact O-N 3.01Å; Y111-I113 VanDerWaalsContact C-N 3.28Å; Y111-I113 PolarHBondContact O-N 3.19Å; Y111-K120 PolarHBondContact O-NZ 3.09Å; Y111-F122 HydrophobicContact CD1-CE1 4.19Å; Y111-F122 AromaticContact CD1-CZ 3.84Å; Y111-F122 HydrophobicContact CD1-CZ 3.84Å; Y111-F122 AromaticContact CE1-CE1 3.65Å; Y111-F122 HydrophobicContact CE1-CE1 3.65Å; Y111-F122 AromaticContact CE1-CZ 3.62Å; Y111-F122 HydrophobicContact CE1-CZ 3.62Å; Y111-S130 WeakPolarHBondContact CE1-O 3.06Å
112	K	94.4	Very high	92.7	Very high	132 Å²	132	38.7 Å²	38.7	57%	0.574	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	38.9	176.4	-51.8	-173.3	-174.7	170.1	0	113.3	C108 T109 E110 R114 L131	C108-K112 PolarHBondContact O-N 3.4Å; T109-K112 WeakPolarHBondContact O-CA 3.34Å; T109-K112 PolarHBondContact O-N 3.42Å; E110-K112 PolarHBondContact O-N 3.01Å; K112-R114 PolarHBondContact O-N 3.26Å; K112-L131 HydrophobicContact CD-CD1 3.72Å; K112-L131 VanDerWaalsContact CE-CD1 3.45Å; K112-L131 HydrophobicContact CG-CD1 4.29Å
113	I	95.3	Very high	93.1	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	16%	0.162	C	C	.	.			trans	-74.6	122.1	174.7	-53.4	-54.9	0	0	0	108.7	F63 C108 Y111 G115 Y116 T118 K120	F63-I113 HydrophobicContact CB-CD1 3.83Å; F63-I113 HydrophobicContact CB-CG1 3.9Å; F63-I113 HydrophobicContact CB-CG2 4.04Å; F63-I113 HydrophobicContact CD1-CD1 3.67Å; F63-I113 HydrophobicContact CD1-CG1 3.45Å; F63-I113 VanDerWaalsContact CD1-CG1 3.45Å; F63-I113 HydrophobicContact CD2-CD1 3.64Å; F63-I113 HydrophobicContact CD2-CG1 4.35Å; F63-I113 HydrophobicContact CE1-CD1 4.09Å; F63-I113 HydrophobicContact CE1-CG1 4.02Å; F63-I113 HydrophobicContact CE2-CD1 4.08Å; F63-I113 HydrophobicContact CG-CD1 3.42Å; F63-I113 VanDerWaalsContact CG-CD1 3.42Å; F63-I113 HydrophobicContact CG-CG1 3.64Å; F63-I113 HydrophobicContact CZ-CD1 4.29Å; C108-I113 HydrophobicContact CB-CB 4.28Å; C108-I113 HydrophobicContact CB-CG1 4.27Å; C108-I113 WeakPolarHBondContact O-CB 3.48Å; C108-I113 WeakPolarHBondContact O-CG1 3.3Å; C108-I113 PolarHBondContact O-N 2.94Å; Y111-I113 VanDerWaalsContact C-N 3.28Å; Y111-I113 PolarHBondContact O-N 3.19Å; I113-G115 WeakPolarHBondContact CG2-O 3.49Å; I113-Y116 HydrophobicContact CG2-CD1 3.98Å; I113-Y116 HydrophobicContact CG2-CE1 3.66Å; I113-T118 HydrophobicContact CD1-CG2 4.03Å; I113-K120 HydrophobicContact CD1-CD 4.13Å
114	R	92.2	Very high	93.2	Very high	165 Å²	165	32.5 Å²	32.5	62%	0.623	15%	0.147	S	C	*	.			trans	-110.2	2.9	-176.3	-65.7	-175.7	176.5	-177.6	-1.2	113.6	K112	K112-R114 PolarHBondContact O-N 3.26Å
115	G	94.7	Very high	93	Very high	3 Å²	3	34.7 Å²	34.7	3%	0.031	16%	0.158	C	C	.	.	S	Bend	trans	167.6	172.8	-179	0	0	0	0	0	112.1	I113 T118 G445	I113-G115 WeakPolarHBondContact CG2-O 3.49Å; G115-T118 PolarHBondContact O-OG1 2.96Å; G115-G445 CarbonylContact C-O 3.6Å; G115-G445 WeakPolarHBondContact CA-O 3.46Å
116	Y	96.1	Very high	92.9	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.008	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-130.9	148.3	-166.2	-45.1	-63.6	0	0	0	112.9	A65 C71 C99 I113 L319 G445	A65-Y116 HydrophobicContact CB-CD1 4.46Å; A65-Y116 HydrophobicContact CB-CD2 3.4Å; A65-Y116 VanDerWaalsContact CB-CD2 3.4Å; A65-Y116 HydrophobicContact CB-CE2 3.69Å; A65-Y116 HydrophobicContact CB-CG 3.82Å; C71-Y116 VanDerWaalsContact SG-CB 3.56Å; C99-Y116 HydrophobicContact CB-CD1 4.32Å; C99-Y116 HydrophobicContact CB-CE1 3.33Å; C99-Y116 WeakPolarHBondContact CB-OH 3.35Å; I113-Y116 HydrophobicContact CG2-CD1 3.98Å; I113-Y116 HydrophobicContact CG2-CE1 3.66Å; Y116-L319 HydrophobicContact CE2-CD1 4.1Å; Y116-L319 WeakPolarHBondContact OH-CD1 3.48Å; Y116-L319 VanDerWaalsContact OH-CD2 3.26Å; Y116-L319 WeakPolarHBondContact OH-CD2 3.05Å; Y116-G445 PolarHBondContact N-O 3.16Å
117	P	96.6	Very high	92.8	Very high	12 Å²	12	34.4 Å²	34.4	8%	0.078	16%	0.157	C	C	.	.	S	Bend	cis	-71	149.8	-15.2	26.7	-25.2	0	0	0	110.9	E62 F63 H70 F74 F138	E62-P117 HydrophobicContact CG-CB 4.14Å; E62-P117 WeakPolarHBondContact OE1-CB 3.49Å; F63-P117 WeakPolarHBondContact O-CA 3.3Å; H70-P117 VanDerWaalsContact ND1-CD 3.26Å; H70-P117 WeakPolarHBondContact ND1-CD 3.46Å; F74-P117 HydrophobicContact CD1-CG 4.28Å; F74-P117 HydrophobicContact CG-CG 4.49Å; P117-F138 HydrophobicContact CG-CZ 4.11Å
118	T	97.3	Very high	92.5	Very high	29 Å²	29	37.8 Å²	37.8	18%	0.178	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	121.9	169.1	-69.1	0	0	0	0	108.5	F63 I113 G115 K120	F63-T118 PolarHBondContact N-O 3.27Å; F63-T118 PolarHBondContact O-N 2.89Å; I113-T118 HydrophobicContact CD1-CG2 4.03Å; G115-T118 PolarHBondContact O-OG1 2.96Å; T118-K120 HydrophobicContact CG2-CG 4.06Å
119	I	97.5	Very high	92.1	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	133.5	174	-56.9	174.1	0	0	0	108.7	V60 V61 E62 F74 Y135 F138 L145	V60-I119 HydrophobicContact CG1-CG2 3.8Å; V61-I119 CarbonylContact O-C 3.6Å; V61-I119 WeakPolarHBondContact O-CA 3.44Å; E62-I119 HydrophobicContact CG-CG1 4.48Å; F74-I119 HydrophobicContact CE1-CD1 3.9Å; F74-I119 HydrophobicContact CZ-CD1 3.78Å; I119-Y135 HydrophobicContact CB-CD2 4.06Å; I119-Y135 HydrophobicContact CB-CG 4.39Å; I119-Y135 HydrophobicContact CG2-CD2 3.51Å; I119-Y135 HydrophobicContact CG2-CE2 3.96Å; I119-Y135 HydrophobicContact CG2-CG 4.14Å; I119-Y135 PolarHBondContact O-N 3.32Å; I119-F138 HydrophobicContact CB-CE1 4.35Å; I119-F138 HydrophobicContact CD1-CD1 4.05Å; I119-F138 HydrophobicContact CD1-CD2 3.78Å; I119-F138 HydrophobicContact CD1-CE1 3.95Å; I119-F138 HydrophobicContact CD1-CE2 3.67Å; I119-F138 HydrophobicContact CD1-CG 3.97Å; I119-F138 HydrophobicContact CD1-CZ 3.75Å; I119-F138 HydrophobicContact CG1-CD1 4.36Å; I119-F138 HydrophobicContact CG1-CE1 3.93Å; I119-F138 HydrophobicContact CG1-CE2 4.33Å; I119-F138 HydrophobicContact CG1-CZ 3.9Å; I119-L145 HydrophobicContact CD1-CD2 4.14Å
120	K	96.7	Very high	92	Very high	13 Å²	13	44.4 Å²	44.4	6%	0.057	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	141.1	173.7	-62.6	-166.3	162.1	-167.6	0	111.5	V61 F63 Y111 I113 T118 F122 L131 M133 P134	V61-K120 PolarHBondContact N-O 3.08Å; V61-K120 PolarHBondContact O-N 3.3Å; F63-K120 HydrophobicContact CD2-CD 4.35Å; F63-K120 HydrophobicContact CD2-CG 4.21Å; F63-K120 HydrophobicContact CE2-CB 4.05Å; F63-K120 HydrophobicContact CE2-CD 3.85Å; F63-K120 HydrophobicContact CE2-CG 3.97Å; Y111-K120 PolarHBondContact O-NZ 3.09Å; I113-K120 HydrophobicContact CD1-CD 4.13Å; T118-K120 HydrophobicContact CG2-CG 4.06Å; K120-F122 HydrophobicContact CB-CD2 4.49Å; K120-F122 HydrophobicContact CB-CE2 3.81Å; K120-F122 HydrophobicContact CB-CZ 4.39Å; K120-L131 WeakPolarHBondContact CD-O 3.4Å; K120-L131 PolarHBondContact NZ-O 3.14Å; K120-M133 CarbonylContact C-O 3.53Å; K120-M133 VanDerWaalsContact CA-O 3.32Å; K120-M133 WeakPolarHBondContact CA-O 3.34Å; K120-P134 HydrophobicContact CG-CB 4.49Å
121	F	95.1	Very high	92.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	129	173.9	-172.6	-91.1	0	0	0	110.7	A58 M59 V60 H123 G132 M133 Y135 I149 L153	A58-F121 HydrophobicContact CB-CE1 4.31Å; A58-F121 HydrophobicContact CB-CE2 4.07Å; A58-F121 HydrophobicContact CB-CZ 3.6Å; M59-F121 WeakPolarHBondContact O-CA 3.37Å; V60-F121 HydrophobicContact CG2-CD2 3.98Å; V60-F121 HydrophobicContact CG2-CE2 4.24Å; F121-H123 AromaticContact CE1-CE1 3.85Å; F121-H123 AromaticContact CE1-CG 3.87Å; F121-H123 AromaticContact CE1-ND1 3.7Å; F121-G132 CarbonylContact O-C 3.56Å; F121-G132 WeakPolarHBondContact O-CA 3.32Å; F121-M133 HydrophobicContact CD1-CE 4.02Å; F121-M133 PolarHBondContact N-O 3.48Å; F121-M133 PolarHBondContact O-N 3.24Å; F121-Y135 HydrophobicContact CB-CE1 3.62Å; F121-Y135 VanDerWaalsContact CD2-OH 3.27Å; F121-Y135 WeakPolarHBondContact CD2-OH 3.49Å; F121-Y135 HydrophobicContact CG-CE1 4.43Å; F121-I149 HydrophobicContact CE2-CG2 4.22Å; F121-L153 HydrophobicContact CE2-CD2 4.48Å; F121-L153 HydrophobicContact CE2-CG 4.46Å; F121-L153 HydrophobicContact CZ-CD2 3.79Å; F121-L153 HydrophobicContact CZ-CG 4Å
122	F	93.6	Very high	92	Very high	3 Å²	3	41.8 Å²	41.8	1%	0.013	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123	172.3	-61.9	-99.9	0	0	0	108	L52 A58 M59 V61 F63 Y111 K120 G132	L52-F122 HydrophobicContact CD1-CE1 4.27Å; L52-F122 HydrophobicContact CD1-CE2 4.12Å; L52-F122 HydrophobicContact CD1-CZ 3.98Å; L52-F122 HydrophobicContact CD2-CD2 4.42Å; A58-F122 CarbonylContact C-O 3.6Å; A58-F122 VanDerWaalsContact CA-O 3.28Å; A58-F122 WeakPolarHBondContact CA-O 3.35Å; M59-F122 HydrophobicContact CB-CB 4.14Å; M59-F122 PolarHBondContact N-O 3.08Å; M59-F122 PolarHBondContact O-N 3.01Å; V61-F122 HydrophobicContact CB-CD2 4.37Å; V61-F122 HydrophobicContact CB-CE2 3.99Å; V61-F122 HydrophobicContact CG2-CD2 3.61Å; V61-F122 HydrophobicContact CG2-CE2 3.61Å; F63-F122 HydrophobicContact CE2-CE2 4.4Å; Y111-F122 HydrophobicContact CD1-CE1 4.19Å; Y111-F122 AromaticContact CD1-CZ 3.84Å; Y111-F122 HydrophobicContact CD1-CZ 3.84Å; Y111-F122 AromaticContact CE1-CE1 3.65Å; Y111-F122 HydrophobicContact CE1-CE1 3.65Å; Y111-F122 AromaticContact CE1-CZ 3.62Å; Y111-F122 HydrophobicContact CE1-CZ 3.62Å; K120-F122 HydrophobicContact CB-CD2 4.49Å; K120-F122 HydrophobicContact CB-CE2 3.81Å; K120-F122 HydrophobicContact CB-CZ 4.39Å; F122-G132 VanDerWaalsContact CE1-CA 3.46Å
123	H	89.7	Confident	91.9	Very high	11 Å²	11	38.4 Å²	38.4	5%	0.051	20%	0.204	C	C	.	.			trans	-65.6	156.4	172.6	-67.5	-93.6	0	0	0	110.3	F121 S126 M133 S152 H158	F121-H123 AromaticContact CE1-CE1 3.85Å; F121-H123 AromaticContact CE1-CG 3.87Å; F121-H123 AromaticContact CE1-ND1 3.7Å; H123-S126 PolarHBondContact N-OG 2.91Å; H123-S126 WeakPolarHBondContact O-CB 3.44Å; H123-S126 PolarHBondContact O-N 3.49Å; H123-S126 PolarHBondContact O-OG 3.31Å; H123-M133 WeakPolarHBondContact NE2-CE 3.48Å; H123-S152 PolarHBondContact CE1-O 2.72Å; H123-H158 AromaticContact CD2-CD2 3.74Å; H123-H158 AromaticContact CD2-CG 3.82Å; H123-H158 AromaticContact CG-CD2 3.86Å
124	A	87.3	Confident	91.9	Very high	2 Å²	2	41.7 Å²	41.7	2%	0.017	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	148.2	166.7	0	0	0	0	0	111.2	S55 S56 S126 P162	S55-A124 CarbonylContact O-C 3.52Å; S55-A124 WeakPolarHBondContact O-CA 3.27Å; S56-A124 VanDerWaalsContact O-CB 3.25Å; S56-A124 WeakPolarHBondContact O-CB 3.44Å; A124-S126 PolarHBondContact O-N 3.11Å; A124-P162 HydrophobicContact CB-CG 3.4Å
125	N	86.6	Confident	91.9	Very high	53 Å²	53	35 Å²	35	28%	0.283	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	30.5	-172.6	-50.6	-55.6	0	0	0	113.4	S55 F127 T160	S55-N125 PolarHBondContact O-N 3.49Å; N125-F127 PolarHBondContact O-N 2.87Å; N125-T160 PolarHBondContact ND2-O 3.27Å; N125-T160 VanDerWaalsContact ND2-O 3.09Å
126	S	86.8	Confident	91.5	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.014	24%	0.239	C	C	.	.			trans	-56.9	133.9	173.5	-79.7	0	0	0	0	111.3	N54 H123 A124	N54-S126 PolarHBondContact N-O 3.18Å; H123-S126 PolarHBondContact N-OG 2.91Å; H123-S126 WeakPolarHBondContact O-CB 3.44Å; H123-S126 PolarHBondContact O-N 3.49Å; H123-S126 PolarHBondContact O-OG 3.31Å; A124-S126 PolarHBondContact O-N 3.11Å
127	F	86.9	Confident	90.7	Very high	131 Å²	131	49.4 Å²	49.4	58%	0.575	28%	0.28	S	S	*	.			trans	-73	161.1	177.9	-53.5	-77	0	0	0	112.1	N125 N129 S130 T160	N125-F127 PolarHBondContact O-N 2.87Å; F127-N129 PolarHBondContact O-N 3.44Å; F127-N129 VanDerWaalsContact O-N 3.08Å; F127-S130 WeakPolarHBondContact O-CB 3.1Å; F127-S130 PolarHBondContact O-N 3.42Å; F127-T160 HydrophobicContact CZ-CG2 4.2Å
128	A	84.9	Confident	90.2	Very high	80 Å²	80	50.8 Å²	50.8	66%	0.661	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-27.8	-174.3	0	0	0	0	0	115.3	V53	V53-A128 HydrophobicContact CG1-CB 3.98Å; V53-A128 HydrophobicContact CG2-CB 4.3Å
129	N	85.5	Confident	89.8	Confident	135 Å²	135	51.5 Å²	51.5	72%	0.722	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	7.9	179.4	65.8	-12.6	0	0	0	113.5	F127 L131	F127-N129 PolarHBondContact O-N 3.44Å; F127-N129 VanDerWaalsContact O-N 3.08Å; N129-L131 PolarHBondContact O-N 2.96Å
130	S	90.3	Very high	89.5	Confident	26 Å²	26	57.8 Å²	57.8	18%	0.182	31%	0.314	C	S	.	.			trans	-63.3	126.2	176.5	-177.3	0	0	0	0	109.8	Y111 F127 G132	Y111-S130 WeakPolarHBondContact CE1-O 3.06Å; F127-S130 WeakPolarHBondContact O-CB 3.1Å; F127-S130 PolarHBondContact O-N 3.42Å; S130-G132 VanDerWaalsContact C-N 3.33Å; S130-G132 PolarHBondContact OG-N 2.86Å
131	L	92.6	Very high	89.4	Confident	62 Å²	62	60.5 Å²	60.5	33%	0.325	33%	0.33	S	S	.	.			trans	-89.9	-2	176.8	-62.2	177.2	0	0	0	112.8	E110 K112 K120 N129	E110-L131 WeakPolarHBondContact O-CD2 3.5Å; K112-L131 HydrophobicContact CD-CD1 3.72Å; K112-L131 VanDerWaalsContact CE-CD1 3.45Å; K112-L131 HydrophobicContact CG-CD1 4.29Å; K120-L131 WeakPolarHBondContact CD-O 3.4Å; K120-L131 PolarHBondContact NZ-O 3.14Å; N129-L131 PolarHBondContact O-N 2.96Å
132	G	92.6	Very high	89.5	Confident	15 Å²	15	61.1 Å²	61.1	16%	0.155	33%	0.334	C	S	.	.			trans	68.9	155	-171	0	0	0	0	0	113.3	F121 F122 S130 P134	F121-G132 CarbonylContact O-C 3.56Å; F121-G132 WeakPolarHBondContact O-CA 3.32Å; F122-G132 VanDerWaalsContact CE1-CA 3.46Å; S130-G132 VanDerWaalsContact C-N 3.33Å; S130-G132 PolarHBondContact OG-N 2.86Å; G132-P134 WeakPolarHBondContact O-CD 3.4Å
133	M	92.5	Very high	89.6	Confident	60 Å²	60	67.2 Å²	67.2	30%	0.296	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	117	174.4	-63.1	-164.3	-57.6	0	0	109.7	K120 F121 H123 Y155	K120-M133 CarbonylContact C-O 3.53Å; K120-M133 VanDerWaalsContact CA-O 3.32Å; K120-M133 WeakPolarHBondContact CA-O 3.34Å; F121-M133 HydrophobicContact CD1-CE 4.02Å; F121-M133 PolarHBondContact N-O 3.48Å; F121-M133 PolarHBondContact O-N 3.24Å; H123-M133 WeakPolarHBondContact NE2-CE 3.48Å; M133-Y155 HydrophobicContact SD-CD1 4.24Å; M133-Y155 HydrophobicContact SD-CE1 4.47Å
134	P	94.1	Very high	89.9	Confident	70 Å²	70	70 Å²	70	46%	0.455	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	134.8	-179.1	30.4	-33.8	0	0	0	111.6	K120 G132	K120-P134 HydrophobicContact CG-CB 4.49Å; G132-P134 WeakPolarHBondContact O-CD 3.4Å
135	Y	93.3	Very high	90.3	Very high	25 Å²	25	70 Å²	70	10%	0.098	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-77.5	131.7	167.6	-68.7	-3.6	0	0	0	109.6	I119 F121 M148 I149 S152	I119-Y135 HydrophobicContact CB-CD2 4.06Å; I119-Y135 HydrophobicContact CB-CG 4.39Å; I119-Y135 HydrophobicContact CG2-CD2 3.51Å; I119-Y135 HydrophobicContact CG2-CE2 3.96Å; I119-Y135 HydrophobicContact CG2-CG 4.14Å; I119-Y135 PolarHBondContact O-N 3.32Å; F121-Y135 HydrophobicContact CB-CE1 3.62Å; F121-Y135 VanDerWaalsContact CD2-OH 3.27Å; F121-Y135 WeakPolarHBondContact CD2-OH 3.49Å; F121-Y135 HydrophobicContact CG-CE1 4.43Å; Y135-M148 HydrophobicContact CE2-CB 4.12Å; Y135-M148 PolarHBondContact OH-O 2.98Å; Y135-I149 HydrophobicContact CE2-CG1 4.48Å; Y135-I149 WeakPolarHBondContact OH-CA 3.43Å; Y135-S152 WeakPolarHBondContact CE1-OG 3.22Å; Y135-S152 WeakPolarHBondContact OH-CB 3.45Å; Y135-S152 PolarHBondContact OH-OG 3.33Å
136	R	86.3	Confident	90.8	Very high	223 Å²	223	68.5 Å²	68.5	84%	0.842	36%	0.36	S	S	*	.			trans	-110.5	132.2	179.7	-63.6	-174.3	-178.6	-173.6	2.6	109.3	F138	R136-F138 VanDerWaalsContact C-N 3.27Å; R136-F138 PolarHBondContact O-N 3.48Å
137	G	79	Confident	91.2	Very high	85 Å²	85	69.7 Å²	69.7	88%	0.876	37%	0.365	S	S	*	.	S	Bend	trans	60.1	34.5	173	0	0	0	0	0	114.1
138	F	85.4	Confident	91.5	Very high	40 Å²	40	65.5 Å²	65.5	18%	0.175	35%	0.347	C	S	.	.			trans	-63.5	143.2	-179.9	57.4	-93.5	0	0	0	111.3	F74 P117 I119 R136 L145 M148	F74-F138 HydrophobicContact CD2-CE2 4.25Å; F74-F138 HydrophobicContact CE1-CE2 4.06Å; F74-F138 HydrophobicContact CE2-CD2 4.01Å; F74-F138 AromaticContact CE2-CE2 3.69Å; F74-F138 HydrophobicContact CE2-CE2 3.69Å; F74-F138 AromaticContact CZ-CD2 3.99Å; F74-F138 HydrophobicContact CZ-CD2 3.99Å; F74-F138 AromaticContact CZ-CE2 3.59Å; F74-F138 HydrophobicContact CZ-CE2 3.59Å; P117-F138 HydrophobicContact CG-CZ 4.11Å; I119-F138 HydrophobicContact CB-CE1 4.35Å; I119-F138 HydrophobicContact CD1-CD1 4.05Å; I119-F138 HydrophobicContact CD1-CD2 3.78Å; I119-F138 HydrophobicContact CD1-CE1 3.95Å; I119-F138 HydrophobicContact CD1-CE2 3.67Å; I119-F138 HydrophobicContact CD1-CG 3.97Å; I119-F138 HydrophobicContact CD1-CZ 3.75Å; I119-F138 HydrophobicContact CG1-CD1 4.36Å; I119-F138 HydrophobicContact CG1-CE1 3.93Å; I119-F138 HydrophobicContact CG1-CE2 4.33Å; I119-F138 HydrophobicContact CG1-CZ 3.9Å; R136-F138 VanDerWaalsContact C-N 3.27Å; R136-F138 PolarHBondContact O-N 3.48Å; F138-L145 HydrophobicContact CB-CD2 4.04Å; F138-L145 HydrophobicContact CD2-CD2 4.23Å; F138-L145 HydrophobicContact CG-CD2 4.45Å; F138-M148 HydrophobicContact CB-CE 3.61Å; F138-M148 HydrophobicContact CB-SD 4.17Å
139	S	88.8	Confident	92	Very high	44 Å²	44	61.7 Å²	61.7	31%	0.308	32%	0.316	S	S	.	.			trans	-81.8	171.9	179.1	82.7	0	0	0	0	111.5	D141 E144	S139-D141 VanDerWaalsContact C-N 3.25Å; S139-D141 WeakPolarHBondContact OG-CB 3.36Å; S139-D141 PolarHBondContact OG-N 3.41Å; S139-D141 VanDerWaalsContact OG-N 3.08Å; S139-E144 WeakPolarHBondContact OG-CB 3.46Å
140	R	91.1	Very high	92.3	Very high	133 Å²	133	55.3 Å²	55.3	50%	0.502	28%	0.282	S	S	.	.	S	Bend	trans	-87.4	4.3	170.8	-72.2	-176.4	127.9	-148.9	-0.1	112.9	S73 I77	S73-R140 PolarHBondContact O-NH2 3.02Å; S73-R140 PolarHBondContact OG-NH2 2.81Å; I77-R140 HydrophobicContact CD1-CB 3.55Å; I77-R140 HydrophobicContact CD1-CG 3.66Å; I77-R140 WeakPolarHBondContact CG2-O 3.28Å
141	D	95.6	Very high	92.4	Very high	71 Å²	71	57.2 Å²	57.2	38%	0.38	29%	0.29	S	S	.	.			trans	-89.2	126.4	179.4	-168	-39.2	0	0	0	110	S139 R143 E144 L145	S139-D141 VanDerWaalsContact C-N 3.25Å; S139-D141 WeakPolarHBondContact OG-CB 3.36Å; S139-D141 PolarHBondContact OG-N 3.41Å; S139-D141 VanDerWaalsContact OG-N 3.08Å; D141-R143 VanDerWaalsContact C-N 3.28Å; D141-R143 PolarHBondContact O-N 3.16Å; D141-R143 WeakPolarHBondContact OD1-CA 3.48Å; D141-R143 VanDerWaalsContact OD1-CB 3.24Å; D141-R143 WeakPolarHBondContact OD1-CB 3.28Å; D141-R143 PolarHBondContact OD1-N 2.64Å; D141-E144 HydrophobicContact CB-CB 4.29Å; D141-E144 HydrophobicContact CB-CG 3.96Å; D141-E144 PolarHBondContact O-N 2.93Å; D141-L145 WeakPolarHBondContact O-CG 3.31Å; D141-L145 PolarHBondContact O-N 3.24Å; D141-L145 VanDerWaalsContact O-N 3.08Å
142	V	96.7	Very high	92.3	Very high	13 Å²	13	54.9 Å²	54.9	8%	0.079	28%	0.279	C	S	.	.	H	α-helix	trans	-63.1	-34.5	178.8	173.3	0	0	0	0	111.8	I77 K80 L81 D84 L145 R146	I77-V142 HydrophobicContact CG2-CG2 4.11Å; K80-V142 HydrophobicContact CB-CG2 4.1Å; K80-V142 HydrophobicContact CD-CG2 3.83Å; K80-V142 HydrophobicContact CG-CG2 3.93Å; L81-V142 HydrophobicContact CB-CG1 4.27Å; L81-V142 HydrophobicContact CD1-CG1 3.88Å; D84-V142 HydrophobicContact CB-CG1 4.04Å; V142-L145 PolarHBondContact O-N 2.91Å; V142-R146 WeakPolarHBondContact O-CB 3.3Å; V142-R146 PolarHBondContact O-N 3.22Å
143	R	96	Very high	92	Very high	130 Å²	130	54.7 Å²	54.7	49%	0.491	27%	0.274	S	S	.	.	H	α-helix	trans	-64.3	-49.2	177.7	-175	-174.8	71.6	-163.7	-1.1	110.9	D141 L145 R146 H147	D141-R143 VanDerWaalsContact C-N 3.28Å; D141-R143 PolarHBondContact O-N 3.16Å; D141-R143 WeakPolarHBondContact OD1-CA 3.48Å; D141-R143 VanDerWaalsContact OD1-CB 3.24Å; D141-R143 WeakPolarHBondContact OD1-CB 3.28Å; D141-R143 PolarHBondContact OD1-N 2.64Å; R143-L145 VanDerWaalsContact C-N 3.32Å; R143-L145 PolarHBondContact O-N 3.35Å; R143-R146 VanDerWaalsContact O-CB 3.3Å; R143-R146 WeakPolarHBondContact O-CB 3.41Å; R143-R146 PolarHBondContact O-N 3.44Å; R143-R146 VanDerWaalsContact O-N 3.13Å; R143-H147 WeakPolarHBondContact CG-NE2 3.34Å; R143-H147 PolarHBondContact O-CD2 3.47Å; R143-H147 VanDerWaalsContact O-CG 3.3Å; R143-H147 PolarHBondContact O-N 3.47Å
144	E	95.6	Very high	91.6	Very high	69 Å²	69	54.4 Å²	54.4	32%	0.322	27%	0.272	S	S	.	.	H	α-helix	trans	-65.9	-37.4	179.3	-58.2	-54.1	132.4	0	0	111.6	S139 D141 R146 H147 M148	S139-E144 WeakPolarHBondContact OG-CB 3.46Å; D141-E144 HydrophobicContact CB-CB 4.29Å; D141-E144 HydrophobicContact CB-CG 3.96Å; D141-E144 PolarHBondContact O-N 2.93Å; E144-R146 VanDerWaalsContact C-N 3.3Å; E144-R146 PolarHBondContact O-N 3.09Å; E144-H147 PolarHBondContact O-N 2.82Å; E144-M148 WeakPolarHBondContact O-CG 3.17Å; E144-M148 PolarHBondContact O-N 2.88Å
145	L	96.6	Very high	90.8	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-60.9	-40.6	172.3	-72.3	163.5	0	0	0	111.9	F74 I77 L81 I119 F138 D141 V142 R143 M148 I149	F74-L145 HydrophobicContact CE2-CD1 4.31Å; F74-L145 HydrophobicContact CZ-CD1 4.2Å; I77-L145 HydrophobicContact CG2-CD1 3.79Å; L81-L145 HydrophobicContact CD1-CB 4.15Å; L81-L145 HydrophobicContact CD2-CB 3.7Å; L81-L145 HydrophobicContact CD2-CD1 4.15Å; L81-L145 HydrophobicContact CD2-CG 4.4Å; I119-L145 HydrophobicContact CD1-CD2 4.14Å; F138-L145 HydrophobicContact CB-CD2 4.04Å; F138-L145 HydrophobicContact CD2-CD2 4.23Å; F138-L145 HydrophobicContact CG-CD2 4.45Å; D141-L145 WeakPolarHBondContact O-CG 3.31Å; D141-L145 PolarHBondContact O-N 3.24Å; D141-L145 VanDerWaalsContact O-N 3.08Å; V142-L145 PolarHBondContact O-N 2.91Å; R143-L145 VanDerWaalsContact C-N 3.32Å; R143-L145 PolarHBondContact O-N 3.35Å; L145-M148 HydrophobicContact CB-CE 4.45Å; L145-M148 HydrophobicContact CD2-CE 3.71Å; L145-M148 HydrophobicContact CG-CE 4.2Å; L145-M148 PolarHBondContact O-N 3.24Å; L145-I149 WeakPolarHBondContact O-CG1 3.34Å; L145-I149 PolarHBondContact O-N 2.86Å; L145-I149 VanDerWaalsContact O-N 3.16Å
146	R	95.8	Very high	89.2	Confident	23 Å²	23	62.2 Å²	62.2	9%	0.087	31%	0.309	C	S	.	.	H	α-helix	trans	-64	-45.2	175.6	-171.1	-164.8	-46.8	132.2	2.9	111.7	L81 D84 I85 W88 V142 R143 E144 M148 I149 I150 E203 R257	L81-R146 HydrophobicContact CD1-CB 4.35Å; D84-R146 IonicContact OD1-NH2 2.93Å; D84-R146 PolarHBondContact OD1-NH2 3.26Å; D84-R146 IonicContact OD2-CZ 3.31Å; D84-R146 IonicContact OD2-NE 3.23Å; D84-R146 PolarHBondContact OD2-NE 2.92Å; D84-R146 IonicContact OD2-NH2 3.3Å; D84-R146 PolarHBondContact OD2-NH2 3.41Å; I85-R146 HydrophobicContact CG2-CG 4.14Å; W88-R146 HydrophobicContact CH2-CG 3.22Å; W88-R146 HydrophobicContact CZ2-CG 3.51Å; W88-R146 HydrophobicContact CZ3-CG 4.17Å; V142-R146 WeakPolarHBondContact O-CB 3.3Å; V142-R146 PolarHBondContact O-N 3.22Å; R143-R146 VanDerWaalsContact O-CB 3.3Å; R143-R146 WeakPolarHBondContact O-CB 3.41Å; R143-R146 PolarHBondContact O-N 3.44Å; R143-R146 VanDerWaalsContact O-N 3.13Å; E144-R146 VanDerWaalsContact C-N 3.3Å; E144-R146 PolarHBondContact O-N 3.09Å; R146-M148 PolarHBondContact O-N 2.95Å; R146-I149 WeakPolarHBondContact O-CB 3.42Å; R146-I149 PolarHBondContact O-N 3.45Å; R146-I149 VanDerWaalsContact O-N 3.15Å; R146-I150 PolarHBondContact O-N 3.09Å; R146-E203 WeakPolarHBondContact CD-OE1 3.33Å; R146-E203 IonicContact CZ-OE1 3.88Å; R146-E203 IonicContact NE-OE1 3.62Å; R146-E203 IonicContact NH1-OE1 2.73Å; R146-E203 PolarHBondContact NH1-OE1 3.44Å; R146-E203 IonicContact NH1-OE2 3.76Å; R146-R257 VanDerWaalsContact NH2-NH1 3.12Å
147	H	94.9	Very high	87.7	Confident	26 Å²	26	53.9 Å²	53.9	12%	0.12	29%	0.293	C	S	.	.	H	α-helix	trans	-60.7	-43.7	176.3	-62.4	172.6	0	0	0	111.5	R143 E144 I149 I150 D151 Y199 E203	R143-H147 WeakPolarHBondContact CG-NE2 3.34Å; R143-H147 PolarHBondContact O-CD2 3.47Å; R143-H147 VanDerWaalsContact O-CG 3.3Å; R143-H147 PolarHBondContact O-N 3.47Å; E144-H147 PolarHBondContact O-N 2.82Å; H147-I149 VanDerWaalsContact C-N 3.25Å; H147-I149 PolarHBondContact O-N 3.27Å; H147-I150 WeakPolarHBondContact O-CA 3.46Å; H147-I150 WeakPolarHBondContact O-CB 3.24Å; H147-I150 PolarHBondContact O-N 2.9Å; H147-D151 VanDerWaalsContact O-CG 3.27Å; H147-D151 PolarHBondContact O-N 2.7Å; H147-Y199 HydrophobicContact CB-CD1 4.12Å; H147-Y199 HydrophobicContact CB-CD2 4.48Å; H147-Y199 HydrophobicContact CB-CE1 3.86Å; H147-Y199 HydrophobicContact CB-CE2 4.25Å; H147-Y199 HydrophobicContact CB-CG 4.42Å; H147-Y199 AromaticContact CD2-CD1 3.78Å; H147-Y199 AromaticContact CD2-CD2 3.84Å; H147-Y199 AromaticContact CD2-CG 3.46Å; H147-Y199 VanDerWaalsContact CD2-CG 3.46Å; H147-Y199 AromaticContact CE1-CD2 3.79Å; H147-Y199 AromaticContact CG-CD1 3.99Å; H147-Y199 AromaticContact CG-CD2 3.83Å; H147-Y199 AromaticContact CG-CG 3.82Å; H147-Y199 AromaticContact ND1-CD2 3.82Å; H147-Y199 AromaticContact ND1-CE2 3.99Å; H147-Y199 AromaticContact NE2-CD2 3.85Å; H147-Y199 AromaticContact NE2-CG 3.72Å; H147-E203 IonicContact CD2-OE1 2.78Å; H147-E203 IonicContact NE2-OE1 3.6Å; H147-E203 PolarHBondContact NE2-OE1 3.07Å
148	M	94.3	Very high	86.5	Confident	43 Å²	43	53.1 Å²	53.1	21%	0.212	27%	0.267	C	S	.	.	H	α-helix	trans	-59.9	-34.5	175.3	-77	-174.7	-69.8	0	0	113	Y135 F138 E144 L145 R146 S152	Y135-M148 HydrophobicContact CE2-CB 4.12Å; Y135-M148 PolarHBondContact OH-O 2.98Å; F138-M148 HydrophobicContact CB-CE 3.61Å; F138-M148 HydrophobicContact CB-SD 4.17Å; E144-M148 WeakPolarHBondContact O-CG 3.17Å; E144-M148 PolarHBondContact O-N 2.88Å; L145-M148 HydrophobicContact CB-CE 4.45Å; L145-M148 HydrophobicContact CD2-CE 3.71Å; L145-M148 HydrophobicContact CG-CE 4.2Å; L145-M148 PolarHBondContact O-N 3.24Å; R146-M148 PolarHBondContact O-N 2.95Å; M148-S152 WeakPolarHBondContact O-CB 3.4Å; M148-S152 PolarHBondContact O-N 3.04Å; M148-S152 PolarHBondContact O-OG 3.1Å
149	I	94.3	Very high	84.8	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-66.6	-45.3	173.9	-65.3	166.4	0	0	0	110.2	V60 L81 I85 W88 V92 F121 Y135 L145 R146 H147 S152 L153	V60-I149 HydrophobicContact CG2-CD1 3.88Å; V60-I149 HydrophobicContact CG2-CG1 3.83Å; V60-I149 HydrophobicContact CG2-CG2 4.29Å; L81-I149 HydrophobicContact CD1-CD1 4.44Å; L81-I149 HydrophobicContact CD2-CD1 4.13Å; I85-I149 HydrophobicContact CD1-CD1 3.81Å; W88-I149 HydrophobicContact CE3-CG2 4.23Å; W88-I149 HydrophobicContact CZ3-CB 4.13Å; W88-I149 HydrophobicContact CZ3-CG2 3.68Å; V92-I149 HydrophobicContact CG1-CG2 3.99Å; V92-I149 HydrophobicContact CG2-CG2 4.21Å; F121-I149 HydrophobicContact CE2-CG2 4.22Å; Y135-I149 HydrophobicContact CE2-CG1 4.48Å; Y135-I149 WeakPolarHBondContact OH-CA 3.43Å; L145-I149 WeakPolarHBondContact O-CG1 3.34Å; L145-I149 PolarHBondContact O-N 2.86Å; L145-I149 VanDerWaalsContact O-N 3.16Å; R146-I149 WeakPolarHBondContact O-CB 3.42Å; R146-I149 PolarHBondContact O-N 3.45Å; R146-I149 VanDerWaalsContact O-N 3.15Å; H147-I149 VanDerWaalsContact C-N 3.25Å; H147-I149 PolarHBondContact O-N 3.27Å; I149-S152 WeakPolarHBondContact O-CB 3.22Å; I149-S152 PolarHBondContact O-N 3.11Å; I149-L153 HydrophobicContact CG2-CD1 4.3Å; I149-L153 WeakPolarHBondContact O-CG 3.25Å; I149-L153 PolarHBondContact O-N 3.26Å
150	I	92.9	Very high	83.1	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.8	-51.3	176.4	-67	169.1	0	0	0	110.2	W88 R146 H147 S152 L153 E154 F168 Y199 R202 E203 L206	W88-I150 HydrophobicContact CH2-CD1 3.78Å; W88-I150 HydrophobicContact CH2-CG1 3.6Å; W88-I150 HydrophobicContact CZ2-CD1 4.33Å; W88-I150 HydrophobicContact CZ3-CG1 4.14Å; R146-I150 PolarHBondContact O-N 3.09Å; H147-I150 WeakPolarHBondContact O-CA 3.46Å; H147-I150 WeakPolarHBondContact O-CB 3.24Å; H147-I150 PolarHBondContact O-N 2.9Å; I150-S152 PolarHBondContact O-N 3.5Å; I150-L153 WeakPolarHBondContact O-CB 3.32Å; I150-L153 PolarHBondContact O-N 3.22Å; I150-E154 HydrophobicContact CG2-CG 4.47Å; I150-E154 WeakPolarHBondContact O-CG 3.46Å; I150-E154 PolarHBondContact O-N 3.33Å; I150-F168 HydrophobicContact CG2-CE2 4.38Å; I150-Y199 HydrophobicContact CB-CD1 4.06Å; I150-Y199 HydrophobicContact CB-CE1 4.1Å; I150-Y199 HydrophobicContact CD1-CD1 3.8Å; I150-Y199 HydrophobicContact CG2-CD1 3.87Å; I150-Y199 HydrophobicContact CG2-CE1 3.93Å; I150-R202 HydrophobicContact CD1-CB 4.31Å; I150-R202 HydrophobicContact CG2-CB 4.16Å; I150-E203 HydrophobicContact CD1-CG 3.74Å; I150-L206 HydrophobicContact CD1-CD1 4.45Å; I150-L206 HydrophobicContact CG1-CD1 3.91Å
151	D	91.2	Very high	81.2	Confident	66 Å²	66	58.1 Å²	58.1	35%	0.353	29%	0.286	S	S	.	.	H	α-helix	trans	-58.2	-36.3	178.4	-62.9	-21.1	0	0	0	111.9	H147 E154 Y155 Y199	H147-D151 VanDerWaalsContact O-CG 3.27Å; H147-D151 PolarHBondContact O-N 2.7Å; D151-E154 PolarHBondContact O-N 2.82Å; D151-Y155 PolarHBondContact O-N 3.44Å; D151-Y155 VanDerWaalsContact O-N 3.16Å; D151-Y199 VanDerWaalsContact CG-OH 3.3Å; D151-Y199 VanDerWaalsContact OD1-CE1 3.24Å; D151-Y199 WeakPolarHBondContact OD1-CE1 3.33Å; D151-Y199 PolarHBondContact OD1-OH 2.95Å; D151-Y199 PolarHBondContact OD2-OH 3.42Å
152	S	90.4	Very high	79	Confident	13 Å²	13	55.9 Å²	55.9	9%	0.091	28%	0.276	C	S	.	.	H	α-helix	trans	-70.4	-35.4	177.1	-59.3	0	0	0	0	112.6	H123 Y135 M148 I149 I150 E154	H123-S152 PolarHBondContact CE1-O 2.72Å; Y135-S152 WeakPolarHBondContact CE1-OG 3.22Å; Y135-S152 WeakPolarHBondContact OH-CB 3.45Å; Y135-S152 PolarHBondContact OH-OG 3.33Å; M148-S152 WeakPolarHBondContact O-CB 3.4Å; M148-S152 PolarHBondContact O-N 3.04Å; M148-S152 PolarHBondContact O-OG 3.1Å; I149-S152 WeakPolarHBondContact O-CB 3.22Å; I149-S152 PolarHBondContact O-N 3.11Å; I150-S152 PolarHBondContact O-N 3.5Å; S152-E154 VanDerWaalsContact C-N 3.29Å
153	L	87.4	Confident	76.7	Confident	12 Å²	12	63.9 Å²	63.9	6%	0.063	31%	0.312	C	S	.	.	H	α-helix	trans	-66.8	-34.6	173.5	-69.8	165.1	0	0	0	111.6	A58 V92 F121 I149 I150 Y155 L165 F168 L206	A58-L153 HydrophobicContact CB-CD2 3.8Å; V92-L153 HydrophobicContact CG2-CD1 3.76Å; V92-L153 HydrophobicContact CG2-CD2 4.02Å; V92-L153 HydrophobicContact CG2-CG 4.34Å; F121-L153 HydrophobicContact CE2-CD2 4.48Å; F121-L153 HydrophobicContact CE2-CG 4.46Å; F121-L153 HydrophobicContact CZ-CD2 3.79Å; F121-L153 HydrophobicContact CZ-CG 4Å; I149-L153 HydrophobicContact CG2-CD1 4.3Å; I149-L153 WeakPolarHBondContact O-CG 3.25Å; I149-L153 PolarHBondContact O-N 3.26Å; I150-L153 WeakPolarHBondContact O-CB 3.32Å; I150-L153 PolarHBondContact O-N 3.22Å; L153-Y155 VanDerWaalsContact C-N 3.34Å; L153-L165 HydrophobicContact CD2-CD1 4.34Å; L153-F168 HydrophobicContact CB-CE1 4.48Å; L153-F168 HydrophobicContact CB-CZ 3.72Å; L153-F168 HydrophobicContact CD1-CZ 4.14Å; L153-L206 HydrophobicContact CD1-CD1 4.14Å
154	E	83.4	Confident	74.5	Confident	54 Å²	54	64.9 Å²	64.9	25%	0.252	33%	0.327	S	S	.	.	H	α-helix	trans	-80.5	-13.7	-177.7	-67	-176.3	169.6	0	0	113.8	I150 D151 S152 P156 F168 S169 R202	I150-E154 HydrophobicContact CG2-CG 4.47Å; I150-E154 WeakPolarHBondContact O-CG 3.46Å; I150-E154 PolarHBondContact O-N 3.33Å; D151-E154 PolarHBondContact O-N 2.82Å; S152-E154 VanDerWaalsContact C-N 3.29Å; E154-P156 VanDerWaalsContact O-CD 3.28Å; E154-P156 WeakPolarHBondContact O-CD 3.41Å; E154-P156 VanDerWaalsContact O-N 3.07Å; E154-F168 HydrophobicContact CG-CE2 3.91Å; E154-F168 HydrophobicContact CG-CZ 4.17Å; E154-S169 VanDerWaalsContact OE1-CB 3.24Å; E154-S169 WeakPolarHBondContact OE1-CB 3.4Å; E154-R202 WeakPolarHBondContact OE1-CD 3.42Å; E154-R202 IonicContact OE1-NE 3.57Å; E154-R202 IonicContact OE1-NH1 2.74Å; E154-R202 PolarHBondContact OE1-NH1 3.45Å; E154-R202 IonicContact OE2-NH1 2.7Å; E154-R202 PolarHBondContact OE2-NH1 3.41Å
155	Y	78.6	Confident	72.5	Confident	134 Å²	134	62 Å²	62	53%	0.525	31%	0.313	S	S	.	.			trans	-58.4	115.1	-172.7	-172.2	-102.2	0	0	0	112	M133 D151 L153 G157	M133-Y155 HydrophobicContact SD-CD1 4.24Å; M133-Y155 HydrophobicContact SD-CE1 4.47Å; D151-Y155 PolarHBondContact O-N 3.44Å; D151-Y155 VanDerWaalsContact O-N 3.16Å; L153-Y155 VanDerWaalsContact C-N 3.34Å; Y155-G157 PolarHBondContact O-N 2.88Å
156	P	58.8	Low	70.5	Confident	124 Å²	124	68.2 Å²	68.2	81%	0.805	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-3.5	-168.1	25.7	-33.6	0	0	0	114.5	E154 H158	E154-P156 VanDerWaalsContact O-CD 3.28Å; E154-P156 WeakPolarHBondContact O-CD 3.41Å; E154-P156 VanDerWaalsContact O-N 3.07Å; P156-H158 VanDerWaalsContact C-N 3.35Å; P156-H158 PolarHBondContact O-N 3.11Å
157	G	55.7	Low	68.8	Low	49 Å²	49	69.2 Å²	69.2	51%	0.505	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-2.3	-175.7	0	0	0	0	0	116.2	Y155	Y155-G157 PolarHBondContact O-N 2.88Å
158	H	53.5	Low	67.4	Low	69 Å²	69	68.3 Å²	68.3	32%	0.319	35%	0.345	S	S	.	.			trans	-121.5	104.6	179.3	-109.3	47.4	0	0	0	111.8	H123 P156 T160	H123-H158 AromaticContact CD2-CD2 3.74Å; H123-H158 AromaticContact CD2-CG 3.82Å; H123-H158 AromaticContact CG-CD2 3.86Å; P156-H158 VanDerWaalsContact C-N 3.35Å; P156-H158 PolarHBondContact O-N 3.11Å; H158-T160 PolarHBondContact O-N 3.26Å
159	R	49.4	Very low	65.7	Low	254 Å²	254	68 Å²	68	96%	0.958	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	7.2	-177.5	-63.3	-173.3	-172.3	-144.4	1.3	115.1
160	T	52.6	Low	64.6	Low	39 Å²	39	71.5 Å²	71.5	24%	0.239	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	15.9	-170.8	56.4	0	0	0	0	113.5	N125 F127 H158	N125-T160 PolarHBondContact ND2-O 3.27Å; N125-T160 VanDerWaalsContact ND2-O 3.09Å; F127-T160 HydrophobicContact CZ-CG2 4.2Å; H158-T160 PolarHBondContact O-N 3.26Å
161	C	50.5	Low	63.8	Low	29 Å²	29	72.8 Å²	72.8	20%	0.196	38%	0.377	C	S	.	.			trans	-59	131.7	172.4	-163	0	0	0	0	109.6	Q163 F166	C161-Q163 PolarHBondContact O-N 2.85Å; C161-F166 HydrophobicContact CB-CE2 4.44Å
162	P	51.2	Low	63.3	Low	24 Å²	24	69.7 Å²	69.7	16%	0.156	36%	0.36	C	S	.	.			trans	-50.1	132.2	173.8	-26.8	31.6	0	0	0	109.5	S56 A124 L164 L165	S56-P162 WeakPolarHBondContact O-CG 3.08Å; A124-P162 HydrophobicContact CB-CG 3.4Å; P162-L164 PolarHBondContact O-N 3.31Å; P162-L165 HydrophobicContact CB-CD1 4.38Å; P162-L165 HydrophobicContact CG-CD1 4.11Å; P162-L165 PolarHBondContact O-N 3.35Å
163	Q	48.5	Very low	63	Low	180 Å²	180	72.1 Å²	72.1	84%	0.841	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-56.3	-19.1	178.9	-67	-171.6	-25	0	0	112.9	C161 L165	C161-Q163 PolarHBondContact O-N 2.85Å; Q163-L165 VanDerWaalsContact C-N 3.27Å; Q163-L165 PolarHBondContact O-N 2.91Å
164	L	48.6	Very low	62.7	Low	152 Å²	152	73.6 Å²	73.6	80%	0.796	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-68.8	-15.1	173	-73	156.5	0	0	0	114.8	P162	P162-L164 PolarHBondContact O-N 3.31Å
165	L	53.8	Low	62.6	Low	7 Å²	7	74 Å²	74	4%	0.037	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-107.5	-2.9	-175.9	-78	167.2	0	0	0	113.9	A91 L153 P162 Q163 F168 L206	A91-L165 HydrophobicContact CB-CD1 4.01Å; A91-L165 HydrophobicContact CB-CD2 3.54Å; A91-L165 HydrophobicContact CB-CG 4.16Å; L153-L165 HydrophobicContact CD2-CD1 4.34Å; P162-L165 HydrophobicContact CB-CD1 4.38Å; P162-L165 HydrophobicContact CG-CD1 4.11Å; P162-L165 PolarHBondContact O-N 3.35Å; Q163-L165 VanDerWaalsContact C-N 3.27Å; Q163-L165 PolarHBondContact O-N 2.91Å; L165-F168 HydrophobicContact CB-CD1 4.39Å; L165-F168 HydrophobicContact CB-CE1 3.94Å; L165-F168 HydrophobicContact CD2-CD1 3.9Å; L165-F168 HydrophobicContact CD2-CE1 3.61Å; L165-F168 HydrophobicContact CG-CE1 4.38Å; L165-F168 WeakPolarHBondContact O-CD1 3.47Å; L165-F168 WeakPolarHBondContact O-CE1 3.26Å; L165-L206 HydrophobicContact CD2-CD2 4.22Å
166	F	53.8	Low	62.8	Low	134 Å²	134	70.7 Å²	70.7	59%	0.588	38%	0.383	S	S	*	.	S	Bend	trans	-64.2	-33.7	172	-101	-91.8	0	0	0	116.3	C161 F168	C161-F166 HydrophobicContact CB-CE2 4.44Å; F166-F168 PolarHBondContact O-N 3.47Å
167	P	60.2	Low	64	Low	44 Å²	44	65 Å²	65	29%	0.286	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-14.2	-168	21.9	-25.9	0	0	0	116.2	R217	P167-R217 VanDerWaalsContact CA-NH1 3.34Å; P167-R217 WeakPolarHBondContact O-CD 3.5Å; P167-R217 PolarHBondContact O-NH1 3.24Å
168	F	66	Low	65.3	Low	6 Å²	6	66.4 Å²	66.4	3%	0.026	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-27.6	-174.1	78.2	-98.1	0	0	0	113.7	I150 L153 E154 L165 F166 R202 T205 L206	I150-F168 HydrophobicContact CG2-CE2 4.38Å; L153-F168 HydrophobicContact CB-CE1 4.48Å; L153-F168 HydrophobicContact CB-CZ 3.72Å; L153-F168 HydrophobicContact CD1-CZ 4.14Å; E154-F168 HydrophobicContact CG-CE2 3.91Å; E154-F168 HydrophobicContact CG-CZ 4.17Å; L165-F168 HydrophobicContact CB-CD1 4.39Å; L165-F168 HydrophobicContact CB-CE1 3.94Å; L165-F168 HydrophobicContact CD2-CD1 3.9Å; L165-F168 HydrophobicContact CD2-CE1 3.61Å; L165-F168 HydrophobicContact CG-CE1 4.38Å; L165-F168 WeakPolarHBondContact O-CD1 3.47Å; L165-F168 WeakPolarHBondContact O-CE1 3.26Å; F166-F168 PolarHBondContact O-N 3.47Å; F168-R202 HydrophobicContact CD2-CB 4.32Å; F168-R202 HydrophobicContact CD2-CG 4.29Å; F168-T205 HydrophobicContact CB-CG2 3.45Å; F168-T205 VanDerWaalsContact CB-CG2 3.45Å; F168-L206 HydrophobicContact CD1-CD2 4.27Å; F168-L206 HydrophobicContact CE1-CD2 4.45Å; F168-L206 HydrophobicContact CG-CD2 4.44Å
169	S	59.2	Low	66.8	Low	36 Å²	36	67 Å²	67	25%	0.252	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-25.2	-172.5	59.8	0	0	0	0	113.6	E154	E154-S169 VanDerWaalsContact OE1-CB 3.24Å; E154-S169 WeakPolarHBondContact OE1-CB 3.4Å
170	V	70.8	Confident	68.5	Low	75 Å²	75	55.1 Å²	55.1	46%	0.455	30%	0.303	S	S	.	.	S	Bend	trans	-86.8	130.9	-178.7	-174.9	0	0	0	0	109.6	V172	V170-V172 PolarHBondContact O-N 2.88Å
171	T	76.7	Confident	70.2	Confident	27 Å²	27	55.5 Å²	55.5	17%	0.166	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-61.6	128.1	169	-172.6	0	0	0	0	109.1	L220 E223	T171-L220 HydrophobicContact CG2-CD1 4.28Å; T171-L220 PolarHBondContact OG1-N 3.34Å; T171-E223 HydrophobicContact CG2-CG 4.31Å
172	V	80.9	Confident	71.9	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.012	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-75.4	132.1	178.9	172.2	0	0	0	0	109.3	V170 E176 I177 R217 R218	V170-V172 PolarHBondContact O-N 2.88Å; V172-E176 HydrophobicContact CG1-CB 3.96Å; V172-E176 HydrophobicContact CG1-CG 4.01Å; V172-I177 HydrophobicContact CG1-CD1 4.03Å; V172-I177 HydrophobicContact CG1-CG1 3.48Å; V172-I177 VanDerWaalsContact CG1-CG1 3.48Å; V172-R217 HydrophobicContact CB-CB 4.32Å; V172-R217 HydrophobicContact CG2-CB 3.55Å; V172-R217 HydrophobicContact CG2-CG 3.67Å; V172-R218 PolarHBondContact N-O 2.77Å
173	V	82.5	Confident	73.4	Confident	63 Å²	63	65.5 Å²	65.5	38%	0.382	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-96.9	160.1	175.7	-61.9	0	0	0	0	110.7	A175 E176 I177	V173-A175 VanDerWaalsContact C-N 3.26Å; V173-A175 HydrophobicContact CG2-CB 4.48Å; V173-A175 PolarHBondContact O-N 2.92Å; V173-A175 VanDerWaalsContact O-N 3.16Å; V173-E176 HydrophobicContact CG2-CB 4.37Å; V173-E176 WeakPolarHBondContact O-CB 3.26Å; V173-E176 PolarHBondContact O-N 3.03Å; V173-I177 PolarHBondContact O-N 3.25Å
174	E	81.6	Confident	75.1	Confident	44 Å²	44	59.7 Å²	59.7	21%	0.206	33%	0.325	C	S	.	.	H	α-helix	trans	-53.2	-40.5	-177	-176.3	-179	173.7	0	0	113.9	E176 I177 N178 H225 L226 K229	E174-E176 VanDerWaalsContact C-N 3.25Å; E174-E176 PolarHBondContact O-N 3.27Å; E174-I177 PolarHBondContact O-N 2.98Å; E174-N178 PolarHBondContact O-N 3.49Å; E174-N178 PolarHBondContact O-ND2 3.46Å; E174-H225 IonicContact OE2-CE1 3.69Å; E174-H225 PolarHBondContact OE2-CE1 3.35Å; E174-H225 IonicContact OE2-ND1 2.76Å; E174-H225 PolarHBondContact OE2-ND1 3.43Å; E174-L226 HydrophobicContact CB-CD1 4.13Å; E174-L226 HydrophobicContact CG-CD1 4.3Å; E174-K229 WeakPolarHBondContact OE1-CD 3.3Å; E174-K229 IonicContact OE1-NZ 2.71Å; E174-K229 PolarHBondContact OE1-NZ 3.29Å
175	A	81.1	Confident	76.8	Confident	63 Å²	63	59.3 Å²	59.3	52%	0.521	33%	0.329	S	S	.	.	H	α-helix	trans	-61.3	-34.2	179.5	0	0	0	0	0	112.7	V173 N179	V173-A175 VanDerWaalsContact C-N 3.26Å; V173-A175 HydrophobicContact CG2-CB 4.48Å; V173-A175 PolarHBondContact O-N 2.92Å; V173-A175 VanDerWaalsContact O-N 3.16Å; A175-N179 PolarHBondContact O-N 3.17Å
176	E	83.2	Confident	78.3	Confident	63 Å²	63	60.2 Å²	60.2	29%	0.294	34%	0.335	S	S	.	.	H	α-helix	trans	-72.9	-38.9	176.7	178.7	177.3	-179.2	0	0	111.1	V172 V173 E174 N179 F180 R217	V172-E176 HydrophobicContact CG1-CB 3.96Å; V172-E176 HydrophobicContact CG1-CG 4.01Å; V173-E176 HydrophobicContact CG2-CB 4.37Å; V173-E176 WeakPolarHBondContact O-CB 3.26Å; V173-E176 PolarHBondContact O-N 3.03Å; E174-E176 VanDerWaalsContact C-N 3.25Å; E174-E176 PolarHBondContact O-N 3.27Å; E176-N179 PolarHBondContact O-N 2.84Å; E176-F180 WeakPolarHBondContact O-CA 3.43Å; E176-F180 WeakPolarHBondContact O-CB 3.38Å; E176-F180 PolarHBondContact O-N 3.38Å; E176-R217 IonicContact OE1-CZ 3.52Å; E176-R217 IonicContact OE1-NH1 2.96Å; E176-R217 PolarHBondContact OE1-NH1 3Å; E176-R217 IonicContact OE1-NH2 3.38Å; E176-R217 PolarHBondContact OE1-NH2 3.37Å
177	I	84.1	Confident	79.8	Confident	4 Å²	4	58.8 Å²	58.8	2%	0.021	33%	0.33	C	S	.	.	H	α-helix	trans	-62.6	-45.2	176.5	-65.1	170.6	0	0	0	110.9	V172 V173 E174 N179 F180 L191 L226 Y241	V172-I177 HydrophobicContact CG1-CD1 4.03Å; V172-I177 HydrophobicContact CG1-CG1 3.48Å; V172-I177 VanDerWaalsContact CG1-CG1 3.48Å; V173-I177 PolarHBondContact O-N 3.25Å; E174-I177 PolarHBondContact O-N 2.98Å; I177-N179 VanDerWaalsContact C-N 3.28Å; I177-N179 PolarHBondContact O-N 3.47Å; I177-F180 VanDerWaalsContact O-CB 3.31Å; I177-F180 WeakPolarHBondContact O-CB 3.16Å; I177-F180 PolarHBondContact O-N 3.07Å; I177-L191 HydrophobicContact CD1-CD1 3.82Å; I177-L191 HydrophobicContact CD1-CD2 4.43Å; I177-L226 HydrophobicContact CD1-CD1 3.86Å; I177-L226 HydrophobicContact CD1-CD2 3.5Å; I177-L226 HydrophobicContact CD1-CG 4.26Å; I177-Y241 HydrophobicContact CG2-CD1 3.75Å; I177-Y241 HydrophobicContact CG2-CE1 3.45Å; I177-Y241 VanDerWaalsContact CG2-CE1 3.45Å; I177-Y241 HydrophobicContact CG2-CE2 4.29Å; I177-Y241 HydrophobicContact CG2-CG 4.31Å
178	N	82.8	Confident	81.3	Confident	79 Å²	79	57.3 Å²	57.3	42%	0.422	32%	0.319	S	S	.	.	H	α-helix	trans	-61.9	-37	-177.6	-69.2	-22.7	0	0	0	112.3	E174	E174-N178 PolarHBondContact O-N 3.49Å; E174-N178 PolarHBondContact O-ND2 3.46Å
179	N	84.8	Confident	82.6	Confident	82 Å²	82	57 Å²	57	44%	0.439	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	4.3	-178.6	-59.4	-11.4	0	0	0	112.7	A175 E176 I177 F181 E182 T183	A175-N179 PolarHBondContact O-N 3.17Å; E176-N179 PolarHBondContact O-N 2.84Å; I177-N179 VanDerWaalsContact C-N 3.28Å; I177-N179 PolarHBondContact O-N 3.47Å; N179-F181 PolarHBondContact O-N 3.35Å; N179-E182 WeakPolarHBondContact O-CB 3.44Å; N179-E182 PolarHBondContact O-N 3.45Å; N179-T183 PolarHBondContact O-N 3.43Å; N179-T183 PolarHBondContact O-OG1 3.49Å
180	F	86.4	Confident	84.4	Confident	5 Å²	5	55.3 Å²	55.3	2%	0.022	31%	0.306	C	S	.	.	H	α-helix	trans	-60.3	-50.3	-171.2	178.2	-94.4	0	0	0	111.7	E176 I177 E182 T183 N184 V186 L189 T215	E176-F180 WeakPolarHBondContact O-CA 3.43Å; E176-F180 WeakPolarHBondContact O-CB 3.38Å; E176-F180 PolarHBondContact O-N 3.38Å; I177-F180 VanDerWaalsContact O-CB 3.31Å; I177-F180 WeakPolarHBondContact O-CB 3.16Å; I177-F180 PolarHBondContact O-N 3.07Å; F180-E182 VanDerWaalsContact C-N 3.27Å; F180-E182 PolarHBondContact O-N 2.95Å; F180-T183 PolarHBondContact O-N 2.88Å; F180-T183 PolarHBondContact O-OG1 2.93Å; F180-T183 VanDerWaalsContact O-OG1 3.08Å; F180-N184 HydrophobicContact CD1-CB 4.32Å; F180-N184 HydrophobicContact CE1-CB 3.84Å; F180-N184 HydrophobicContact CE2-CB 4.15Å; F180-N184 HydrophobicContact CZ-CB 3.72Å; F180-N184 WeakPolarHBondContact O-CB 3.24Å; F180-N184 PolarHBondContact O-N 3.34Å; F180-N184 PolarHBondContact O-ND2 3.5Å; F180-V186 HydrophobicContact CE1-CG2 3.48Å; F180-V186 VanDerWaalsContact CE1-CG2 3.48Å; F180-V186 HydrophobicContact CZ-CG2 3.69Å; F180-L189 HydrophobicContact CB-CD2 4.26Å; F180-L189 HydrophobicContact CD1-CB 4.19Å; F180-L189 HydrophobicContact CD1-CD1 4.39Å; F180-L189 HydrophobicContact CD1-CD2 3.72Å; F180-L189 HydrophobicContact CD1-CG 4.31Å; F180-L189 HydrophobicContact CD2-CD1 4.34Å; F180-L189 HydrophobicContact CD2-CD2 4.25Å; F180-L189 HydrophobicContact CE1-CB 3.92Å; F180-L189 HydrophobicContact CE1-CD1 4.02Å; F180-L189 HydrophobicContact CE1-CD2 4.14Å; F180-L189 HydrophobicContact CE1-CG 4.24Å; F180-L189 HydrophobicContact CE2-CD1 3.98Å; F180-L189 HydrophobicContact CG-CD2 3.8Å; F180-L189 HydrophobicContact CZ-CD1 3.83Å; F180-T215 HydrophobicContact CE2-CG2 3.88Å; F180-T215 HydrophobicContact CZ-CG2 3.74Å
181	F	86.8	Confident	85.6	Confident	47 Å²	47	51.8 Å²	51.8	21%	0.206	29%	0.285	C	S	.	.	H	α-helix	trans	-77.9	-10	-177.9	-62.6	-68.9	0	0	0	114.1	N179 T183 L189 Y241 P243	N179-F181 PolarHBondContact O-N 3.35Å; F181-T183 VanDerWaalsContact C-N 3.28Å; F181-L189 HydrophobicContact CE1-CB 4.31Å; F181-L189 HydrophobicContact CZ-CB 3.76Å; F181-Y241 AromaticContact CE2-CD1 3.64Å; F181-Y241 HydrophobicContact CE2-CD1 3.64Å; F181-Y241 AromaticContact CE2-CE1 3.98Å; F181-Y241 HydrophobicContact CE2-CE1 3.98Å; F181-Y241 HydrophobicContact CZ-CD1 4.37Å; F181-Y241 WeakPolarHBondContact CZ-O 3.23Å; F181-P243 HydrophobicContact CB-CB 4.33Å; F181-P243 HydrophobicContact CD1-CB 4.38Å; F181-P243 HydrophobicContact CD1-CG 3.73Å; F181-P243 HydrophobicContact CD2-CB 4.11Å; F181-P243 HydrophobicContact CD2-CG 4.16Å; F181-P243 HydrophobicContact CE1-CG 3.85Å; F181-P243 HydrophobicContact CE2-CB 4.49Å; F181-P243 HydrophobicContact CE2-CG 4.24Å; F181-P243 HydrophobicContact CG-CB 4.03Å; F181-P243 HydrophobicContact CG-CG 3.89Å; F181-P243 HydrophobicContact CZ-CG 4.11Å
182	E	87.1	Confident	86.6	Confident	153 Å²	153	50.5 Å²	50.5	72%	0.715	28%	0.277	S	S	*	.	H	α-helix	trans	-73.4	-28.8	169.3	-56.5	-174.1	163	0	0	111.1	N179 F180	N179-E182 WeakPolarHBondContact O-CB 3.44Å; N179-E182 PolarHBondContact O-N 3.45Å; F180-E182 VanDerWaalsContact C-N 3.27Å; F180-E182 PolarHBondContact O-N 2.95Å
183	T	82.8	Confident	87.4	Confident	109 Å²	109	50.4 Å²	50.4	67%	0.669	28%	0.276	S	S	*	.	H	α-helix	trans	-110.1	-16	-173.9	54	0	0	0	0	113.6	N179 F180 F181	N179-T183 PolarHBondContact O-N 3.43Å; N179-T183 PolarHBondContact O-OG1 3.49Å; F180-T183 PolarHBondContact O-N 2.88Å; F180-T183 PolarHBondContact O-OG1 2.93Å; F180-T183 VanDerWaalsContact O-OG1 3.08Å; F181-T183 VanDerWaalsContact C-N 3.28Å
184	N	83.8	Confident	88	Confident	58 Å²	58	47.4 Å²	47.4	31%	0.31	26%	0.258	S	S	.	.			trans	-124.8	135.4	-178.1	-62.8	-90.5	0	0	0	111.1	F180 V186	F180-N184 HydrophobicContact CD1-CB 4.32Å; F180-N184 HydrophobicContact CE1-CB 3.84Å; F180-N184 HydrophobicContact CE2-CB 4.15Å; F180-N184 HydrophobicContact CZ-CB 3.72Å; F180-N184 WeakPolarHBondContact O-CB 3.24Å; F180-N184 PolarHBondContact O-N 3.34Å; F180-N184 PolarHBondContact O-ND2 3.5Å; N184-V186 HydrophobicContact CB-CG2 4.33Å
185	T	83.7	Confident	88.6	Confident	145 Å²	145	48.4 Å²	48.4	89%	0.89	27%	0.265	S	S	*	.			trans	-94.1	11.7	-178.3	54.1	0	0	0	0	113.8
186	V	85.3	Confident	89.1	Confident	26 Å²	26	50.4 Å²	50.4	16%	0.158	27%	0.267	C	S	.	.			trans	-74.3	149.3	-178.5	-60.2	0	0	0	0	111.8	F180 N184	F180-V186 HydrophobicContact CE1-CG2 3.48Å; F180-V186 VanDerWaalsContact CE1-CG2 3.48Å; F180-V186 HydrophobicContact CZ-CG2 3.69Å; N184-V186 HydrophobicContact CB-CG2 4.33Å
187	Q	86.1	Confident	89.6	Confident	103 Å²	103	55.3 Å²	55.3	48%	0.481	29%	0.287	S	S	.	.	S	Bend	trans	-81.7	-30.9	-179.5	-66.4	-175	-10.2	0	0	112.9	N213	Q187-N213 HydrophobicContact CB-CB 4.37Å; Q187-N213 HydrophobicContact CG-CB 4.35Å; Q187-N213 PolarHBondContact N-O 3.43Å
188	H	91.5	Very high	90.1	Very high	13 Å²	13	56 Å²	56	6%	0.06	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	125.2	-175.3	-53.9	-75.7	0	0	0	110.7	N213 I214 T215 Y242 L267 P268	H188-N213 PolarHBondContact CD2-O 2.64Å; H188-N213 PolarHBondContact N-O 2.82Å; H188-I214 HydrophobicContact CB-CB 4.46Å; H188-I214 HydrophobicContact CB-CG1 4.27Å; H188-I214 CarbonylContact O-C 3.57Å; H188-I214 WeakPolarHBondContact O-CA 3.03Å; H188-T215 PolarHBondContact O-N 2.93Å; H188-Y242 AromaticContact ND1-CE1 3.59Å; H188-L267 HydrophobicContact CB-CD1 4.28Å; H188-P268 PolarHBondContact NE2-O 2.89Å
189	L	94.6	Very high	90.7	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	113.7	164	174.9	61	0	0	0	108.6	F180 F181 L191 T215 R217 L240 Y241	F180-L189 HydrophobicContact CB-CD2 4.26Å; F180-L189 HydrophobicContact CD1-CB 4.19Å; F180-L189 HydrophobicContact CD1-CD1 4.39Å; F180-L189 HydrophobicContact CD1-CD2 3.72Å; F180-L189 HydrophobicContact CD1-CG 4.31Å; F180-L189 HydrophobicContact CD2-CD1 4.34Å; F180-L189 HydrophobicContact CD2-CD2 4.25Å; F180-L189 HydrophobicContact CE1-CB 3.92Å; F180-L189 HydrophobicContact CE1-CD1 4.02Å; F180-L189 HydrophobicContact CE1-CD2 4.14Å; F180-L189 HydrophobicContact CE1-CG 4.24Å; F180-L189 HydrophobicContact CE2-CD1 3.98Å; F180-L189 HydrophobicContact CG-CD2 3.8Å; F180-L189 HydrophobicContact CZ-CD1 3.83Å; F181-L189 HydrophobicContact CE1-CB 4.31Å; F181-L189 HydrophobicContact CZ-CB 3.76Å; L189-L191 HydrophobicContact CD1-CD2 4.13Å; L189-L191 HydrophobicContact CD2-CD2 4.03Å; L189-L191 HydrophobicContact CG-CD2 3.92Å; L189-L191 HydrophobicContact CG-CG 4.33Å; L189-T215 CarbonylContact C-O 3.59Å; L189-T215 WeakPolarHBondContact CA-O 3.43Å; L189-T215 HydrophobicContact CD1-CG2 4.25Å; L189-R217 HydrophobicContact CD1-CB 4.43Å; L189-R217 HydrophobicContact CD1-CG 3.91Å; L189-L240 WeakPolarHBondContact O-CA 3.43Å; L189-Y241 HydrophobicContact CD2-CD1 4.09Å; L189-Y241 PolarHBondContact N-O 2.9Å; L189-Y241 PolarHBondContact O-N 3.46Å
190	A	96.2	Very high	91.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	125	172.8	0	0	0	0	0	110.1	T215 V216 R217 Y239 L240 L264	A190-T215 PolarHBondContact N-O 3.38Å; A190-V216 HydrophobicContact CB-CG1 4.46Å; A190-V216 HydrophobicContact CB-CG2 4.3Å; A190-V216 CarbonylContact O-C 3.59Å; A190-V216 WeakPolarHBondContact O-CA 3.06Å; A190-R217 PolarHBondContact O-N 2.96Å; A190-Y239 CarbonylContact C-O 3.6Å; A190-Y239 WeakPolarHBondContact CA-O 3.31Å; A190-L240 HydrophobicContact CB-CD2 4.09Å; A190-L264 HydrophobicContact CB-CD1 3.93Å; A190-L264 HydrophobicContact CB-CD2 3.78Å
191	L	96.3	Very high	91.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.5	175.9	-59.9	-178.6	0	0	0	109.1	I177 L189 F193 R217 V219 L230 C238 Y239 F247	I177-L191 HydrophobicContact CD1-CD1 3.82Å; I177-L191 HydrophobicContact CD1-CD2 4.43Å; L189-L191 HydrophobicContact CD1-CD2 4.13Å; L189-L191 HydrophobicContact CD2-CD2 4.03Å; L189-L191 HydrophobicContact CG-CD2 3.92Å; L189-L191 HydrophobicContact CG-CG 4.33Å; L191-F193 HydrophobicContact CB-CD2 4.45Å; L191-F193 HydrophobicContact CB-CE2 3.77Å; L191-F193 HydrophobicContact CB-CZ 4.36Å; L191-F193 HydrophobicContact CD1-CZ 4.45Å; L191-R217 WeakPolarHBondContact CA-O 2.99Å; L191-R217 HydrophobicContact CD2-CB 3.93Å; L191-V219 HydrophobicContact CD2-CG2 4.45Å; L191-L230 HydrophobicContact CD1-CD1 4.5Å; L191-C238 CarbonylContact O-C 3.6Å; L191-C238 WeakPolarHBondContact O-CA 3.4Å; L191-Y239 PolarHBondContact N-O 2.91Å; L191-Y239 PolarHBondContact O-N 3.37Å; L191-F247 HydrophobicContact CD1-CE2 4.24Å
192	I	97.1	Very high	92	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	112.9	175.5	-63.9	172.9	0	0	0	108.2	V204 V216 R217 R218 V219 S237 C238 Y260	I192-V204 HydrophobicContact CD1-CB 3.63Å; I192-V204 HydrophobicContact CD1-CG1 3.76Å; I192-V204 HydrophobicContact CD1-CG2 3.94Å; I192-V216 HydrophobicContact CD1-CG1 3.69Å; I192-V216 HydrophobicContact CG1-CG1 4.25Å; I192-R217 PolarHBondContact N-O 3.45Å; I192-R218 CarbonylContact O-C 3.59Å; I192-R218 WeakPolarHBondContact O-CA 3.35Å; I192-V219 PolarHBondContact O-N 3.34Å; I192-S237 WeakPolarHBondContact CA-O 3.44Å; I192-C238 HydrophobicContact CG1-CB 4.16Å; I192-Y260 HydrophobicContact CD1-CD2 4.28Å; I192-Y260 HydrophobicContact CG2-CE2 4.45Å
193	F	97	Very high	92.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	125	175	-66.5	-96.5	0	0	0	108.8	L191 V219 V227 L230 V232 F235 P236 S237 Y239 F247	L191-F193 HydrophobicContact CB-CD2 4.45Å; L191-F193 HydrophobicContact CB-CE2 3.77Å; L191-F193 HydrophobicContact CB-CZ 4.36Å; L191-F193 HydrophobicContact CD1-CZ 4.45Å; F193-V219 VanDerWaalsContact CA-O 3.28Å; F193-V219 WeakPolarHBondContact CA-O 3.39Å; F193-V219 HydrophobicContact CD1-CB 3.69Å; F193-V219 HydrophobicContact CD1-CG1 3.72Å; F193-V219 HydrophobicContact CE1-CB 3.72Å; F193-V219 HydrophobicContact CE1-CG1 3.54Å; F193-V219 HydrophobicContact CE1-CG2 4.15Å; F193-V219 HydrophobicContact CG-CB 4.29Å; F193-V219 HydrophobicContact CZ-CB 4.32Å; F193-V219 HydrophobicContact CZ-CG1 4.44Å; F193-V219 HydrophobicContact CZ-CG2 4.29Å; F193-V227 HydrophobicContact CD1-CG2 4.07Å; F193-V227 HydrophobicContact CE1-CG2 4.24Å; F193-L230 HydrophobicContact CZ-CD1 3.83Å; F193-V232 HydrophobicContact CB-CG1 3.93Å; F193-V232 HydrophobicContact CD1-CB 4.26Å; F193-V232 HydrophobicContact CD1-CG1 4.05Å; F193-V232 HydrophobicContact CD1-CG2 4.14Å; F193-V232 HydrophobicContact CD2-CG1 4.17Å; F193-V232 HydrophobicContact CD2-CG2 4.03Å; F193-V232 HydrophobicContact CE1-CB 4.41Å; F193-V232 HydrophobicContact CE1-CG2 3.91Å; F193-V232 HydrophobicContact CE2-CG2 3.82Å; F193-V232 HydrophobicContact CG-CB 4.39Å; F193-V232 HydrophobicContact CG-CG1 3.78Å; F193-V232 HydrophobicContact CG-CG2 4.19Å; F193-V232 HydrophobicContact CZ-CG2 3.76Å; F193-F235 HydrophobicContact CB-CD1 3.98Å; F193-F235 HydrophobicContact CB-CE1 3.85Å; F193-P236 CarbonylContact O-C 3.55Å; F193-P236 WeakPolarHBondContact O-CA 3.16Å; F193-S237 PolarHBondContact N-O 2.88Å; F193-S237 PolarHBondContact O-N 3.45Å; F193-Y239 AromaticContact CD2-CD2 3.71Å; F193-Y239 HydrophobicContact CD2-CD2 3.71Å; F193-Y239 HydrophobicContact CD2-CE2 4.17Å; F193-Y239 AromaticContact CE2-CD2 3.82Å; F193-Y239 HydrophobicContact CE2-CD2 3.82Å; F193-Y239 HydrophobicContact CE2-CE2 4.5Å; F193-Y239 HydrophobicContact CE2-CG 4.43Å; F193-F247 HydrophobicContact CE2-CE2 4.29Å; F193-F247 AromaticContact CE2-CZ 3.93Å; F193-F247 HydrophobicContact CE2-CZ 3.93Å; F193-F247 HydrophobicContact CZ-CZ 4.2Å
194	E	96.4	Very high	93.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	168.8	-175.5	63.9	-178.1	172.4	0	0	111.6	S198 I200 G201 R218 V219 L220 D221 P236	E194-S198 VanDerWaalsContact OE2-CB 3.27Å; E194-S198 WeakPolarHBondContact OE2-CB 3.49Å; E194-S198 PolarHBondContact OE2-OG 2.89Å; E194-I200 PolarHBondContact OE2-N 3.31Å; E194-G201 VanDerWaalsContact CD-N 3.32Å; E194-G201 WeakPolarHBondContact OE1-CA 3.49Å; E194-G201 PolarHBondContact OE1-N 3.23Å; E194-G201 PolarHBondContact OE2-N 3.28Å; E194-R218 IonicContact OE1-CZ 3.04Å; E194-R218 IonicContact OE1-NE 3.48Å; E194-R218 PolarHBondContact OE1-NE 3.48Å; E194-R218 IonicContact OE1-NH2 2.8Å; E194-R218 PolarHBondContact OE1-NH2 2.89Å; E194-V219 PolarHBondContact N-O 3.3Å; E194-L220 CarbonylContact O-C 3.58Å; E194-L220 VanDerWaalsContact O-CA 3.3Å; E194-L220 WeakPolarHBondContact O-CA 3.31Å; E194-D221 PolarHBondContact O-N 2.92Å; E194-P236 HydrophobicContact CB-CB 4.37Å
195	D	94.7	Very high	93.6	Very high	65 Å²	65	35.7 Å²	35.7	35%	0.348	18%	0.183	S	C	.	.			trans	-82.5	172.7	173	67.3	42.8	0	0	0	112.5	K197 S198 R218	D195-K197 VanDerWaalsContact C-N 3.25Å; D195-K197 PolarHBondContact O-N 3.42Å; D195-K197 WeakPolarHBondContact OD1-CA 3.47Å; D195-K197 WeakPolarHBondContact OD1-CB 3.32Å; D195-K197 PolarHBondContact OD1-N 2.85Å; D195-S198 PolarHBondContact O-N 3.4Å; D195-S198 PolarHBondContact OD1-N 3.44Å; D195-R218 PolarHBondContact O-NH2 2.88Å
196	D	90.9	Very high	94.1	Very high	106 Å²	106	28.8 Å²	28.8	57%	0.567	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-23.4	-178.4	70.7	-25.1	0	0	0	114.2
197	K	92.9	Very high	94.6	Very high	165 Å²	165	28 Å²	28	72%	0.717	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-20.3	179	-67.3	167.6	-169.8	170	0	112.6	D195 Y199	D195-K197 VanDerWaalsContact C-N 3.25Å; D195-K197 PolarHBondContact O-N 3.42Å; D195-K197 WeakPolarHBondContact OD1-CA 3.47Å; D195-K197 WeakPolarHBondContact OD1-CB 3.32Å; D195-K197 PolarHBondContact OD1-N 2.85Å; K197-Y199 WeakPolarHBondContact O-CD2 3.26Å
198	S	95.2	Very high	94.9	Very high	18 Å²	18	23.5 Å²	23.5	13%	0.126	12%	0.115	C	C	.	.			trans	-71.1	141.5	179.6	179.5	0	0	0	0	112.1	E194 D195 I200 R202 R218	E194-S198 VanDerWaalsContact OE2-CB 3.27Å; E194-S198 WeakPolarHBondContact OE2-CB 3.49Å; E194-S198 PolarHBondContact OE2-OG 2.89Å; D195-S198 PolarHBondContact O-N 3.4Å; D195-S198 PolarHBondContact OD1-N 3.44Å; S198-I200 PolarHBondContact OG-N 3.4Å; S198-R202 PolarHBondContact O-NH2 3.24Å; S198-R218 PolarHBondContact O-NH2 2.98Å
199	Y	95.6	Very high	94.8	Very high	45 Å²	45	26 Å²	26	18%	0.176	13%	0.128	C	C	.	.			trans	-106.2	-5.6	173.5	-75.5	-98.7	0	0	0	112.7	H147 I150 D151 K197 G201 R202 E203	H147-Y199 HydrophobicContact CB-CD1 4.12Å; H147-Y199 HydrophobicContact CB-CD2 4.48Å; H147-Y199 HydrophobicContact CB-CE1 3.86Å; H147-Y199 HydrophobicContact CB-CE2 4.25Å; H147-Y199 HydrophobicContact CB-CG 4.42Å; H147-Y199 AromaticContact CD2-CD1 3.78Å; H147-Y199 AromaticContact CD2-CD2 3.84Å; H147-Y199 AromaticContact CD2-CG 3.46Å; H147-Y199 VanDerWaalsContact CD2-CG 3.46Å; H147-Y199 AromaticContact CE1-CD2 3.79Å; H147-Y199 AromaticContact CG-CD1 3.99Å; H147-Y199 AromaticContact CG-CD2 3.83Å; H147-Y199 AromaticContact CG-CG 3.82Å; H147-Y199 AromaticContact ND1-CD2 3.82Å; H147-Y199 AromaticContact ND1-CE2 3.99Å; H147-Y199 AromaticContact NE2-CD2 3.85Å; H147-Y199 AromaticContact NE2-CG 3.72Å; I150-Y199 HydrophobicContact CB-CD1 4.06Å; I150-Y199 HydrophobicContact CB-CE1 4.1Å; I150-Y199 HydrophobicContact CD1-CD1 3.8Å; I150-Y199 HydrophobicContact CG2-CD1 3.87Å; I150-Y199 HydrophobicContact CG2-CE1 3.93Å; D151-Y199 VanDerWaalsContact CG-OH 3.3Å; D151-Y199 VanDerWaalsContact OD1-CE1 3.24Å; D151-Y199 WeakPolarHBondContact OD1-CE1 3.33Å; D151-Y199 PolarHBondContact OD1-OH 2.95Å; D151-Y199 PolarHBondContact OD2-OH 3.42Å; K197-Y199 WeakPolarHBondContact O-CD2 3.26Å; Y199-G201 PolarHBondContact O-N 2.94Å; Y199-R202 PolarHBondContact O-N 3.48Å; Y199-R202 VanDerWaalsContact O-N 3.1Å; Y199-E203 WeakPolarHBondContact O-CB 3.35Å; Y199-E203 VanDerWaalsContact O-CG 3.27Å; Y199-E203 WeakPolarHBondContact O-CG 3.49Å; Y199-E203 PolarHBondContact O-N 2.91Å
200	I	96.2	Very high	94.5	Very high	28 Å²	28	27.1 Å²	27.1	14%	0.144	13%	0.134	C	C	.	.	H	α-helix	trans	-58.6	-46.3	-169	-64.7	169.6	0	0	0	111.5	E194 S198 R202 E203 V204 P236 Y260	E194-I200 PolarHBondContact OE2-N 3.31Å; S198-I200 PolarHBondContact OG-N 3.4Å; I200-R202 VanDerWaalsContact C-N 3.32Å; I200-R202 PolarHBondContact O-N 3.15Å; I200-E203 PolarHBondContact O-N 2.94Å; I200-V204 HydrophobicContact CG2-CG2 4.11Å; I200-V204 WeakPolarHBondContact O-CB 3.37Å; I200-V204 WeakPolarHBondContact O-CG2 3.44Å; I200-V204 PolarHBondContact O-N 2.98Å; I200-P236 HydrophobicContact CD1-CB 4.17Å; I200-P236 HydrophobicContact CD1-CG 3.81Å; I200-Y260 HydrophobicContact CG2-CD2 3.59Å; I200-Y260 HydrophobicContact CG2-CE2 3.63Å
201	G	95.3	Very high	94.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.5	-43.3	178.9	0	0	0	0	0	112.4	E194 Y199 T205	E194-G201 VanDerWaalsContact CD-N 3.32Å; E194-G201 WeakPolarHBondContact OE1-CA 3.49Å; E194-G201 PolarHBondContact OE1-N 3.23Å; E194-G201 PolarHBondContact OE2-N 3.28Å; Y199-G201 PolarHBondContact O-N 2.94Å; G201-T205 WeakPolarHBondContact O-CB 3.41Å; G201-T205 PolarHBondContact O-N 3.45Å; G201-T205 PolarHBondContact O-OG1 2.62Å
202	R	94.4	Very high	94	Very high	10 Å²	10	33.2 Å²	33.2	4%	0.038	16%	0.162	C	C	.	.	H	α-helix	trans	-68.5	-44	178.7	-64.5	176.4	-82.2	177.4	-1.6	111.8	I150 E154 F168 S198 Y199 I200 T205 L206	I150-R202 HydrophobicContact CD1-CB 4.31Å; I150-R202 HydrophobicContact CG2-CB 4.16Å; E154-R202 WeakPolarHBondContact OE1-CD 3.42Å; E154-R202 IonicContact OE1-NE 3.57Å; E154-R202 IonicContact OE1-NH1 2.74Å; E154-R202 PolarHBondContact OE1-NH1 3.45Å; E154-R202 IonicContact OE2-NH1 2.7Å; E154-R202 PolarHBondContact OE2-NH1 3.41Å; F168-R202 HydrophobicContact CD2-CB 4.32Å; F168-R202 HydrophobicContact CD2-CG 4.29Å; S198-R202 PolarHBondContact O-NH2 3.24Å; Y199-R202 PolarHBondContact O-N 3.48Å; Y199-R202 VanDerWaalsContact O-N 3.1Å; I200-R202 VanDerWaalsContact C-N 3.32Å; I200-R202 PolarHBondContact O-N 3.15Å; R202-T205 PolarHBondContact O-N 3.16Å; R202-L206 WeakPolarHBondContact O-CG 3.44Å; R202-L206 PolarHBondContact O-N 3.32Å
203	E	96.1	Very high	93.7	Very high	9 Å²	9	35.6 Å²	35.6	4%	0.042	18%	0.175	C	C	.	.	H	α-helix	trans	-60.2	-49.8	176.2	-70.6	175.1	149	0	0	111.9	R146 H147 I150 Y199 I200 T205 L206 D207 R257	R146-E203 WeakPolarHBondContact CD-OE1 3.33Å; R146-E203 IonicContact CZ-OE1 3.88Å; R146-E203 IonicContact NE-OE1 3.62Å; R146-E203 IonicContact NH1-OE1 2.73Å; R146-E203 PolarHBondContact NH1-OE1 3.44Å; R146-E203 IonicContact NH1-OE2 3.76Å; H147-E203 IonicContact CD2-OE1 2.78Å; H147-E203 IonicContact NE2-OE1 3.6Å; H147-E203 PolarHBondContact NE2-OE1 3.07Å; I150-E203 HydrophobicContact CD1-CG 3.74Å; Y199-E203 WeakPolarHBondContact O-CB 3.35Å; Y199-E203 VanDerWaalsContact O-CG 3.27Å; Y199-E203 WeakPolarHBondContact O-CG 3.49Å; Y199-E203 PolarHBondContact O-N 2.91Å; I200-E203 PolarHBondContact O-N 2.94Å; E203-T205 VanDerWaalsContact C-N 3.3Å; E203-T205 PolarHBondContact O-N 2.99Å; E203-L206 PolarHBondContact O-N 3.38Å; E203-D207 PolarHBondContact O-N 2.85Å; E203-R257 HydrophobicContact CB-CG 3.99Å; E203-R257 WeakPolarHBondContact OE2-CD 3.47Å
204	V	96.6	Very high	93.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.6	-36.3	-179.8	177.3	0	0	0	0	110.8	I192 I200 D207 L208 V216 R257 Y260 V261 L264	I192-V204 HydrophobicContact CD1-CB 3.63Å; I192-V204 HydrophobicContact CD1-CG1 3.76Å; I192-V204 HydrophobicContact CD1-CG2 3.94Å; I200-V204 HydrophobicContact CG2-CG2 4.11Å; I200-V204 WeakPolarHBondContact O-CB 3.37Å; I200-V204 WeakPolarHBondContact O-CG2 3.44Å; I200-V204 PolarHBondContact O-N 2.98Å; V204-D207 PolarHBondContact O-N 2.82Å; V204-L208 HydrophobicContact CG1-CD1 4.06Å; V204-L208 PolarHBondContact O-N 3.36Å; V204-L208 VanDerWaalsContact O-N 3.12Å; V204-V216 HydrophobicContact CG1-CG1 4.14Å; V204-V216 HydrophobicContact CG1-CG2 4.33Å; V204-R257 HydrophobicContact CG2-CB 4.4Å; V204-R257 HydrophobicContact CG2-CG 4.08Å; V204-Y260 HydrophobicContact CG2-CD2 4.18Å; V204-V261 HydrophobicContact CB-CG2 4.4Å; V204-V261 HydrophobicContact CG1-CG2 4.09Å; V204-V261 HydrophobicContact CG2-CG2 4.11Å; V204-L264 HydrophobicContact CG1-CD1 3.86Å
205	T	94.5	Very high	93.3	Very high	16 Å²	16	37.7 Å²	37.7	10%	0.098	19%	0.187	C	C	.	.	H	α-helix	trans	-60.7	-46.4	173.8	-56.9	0	0	0	0	111.2	F168 G201 R202 E203 L208 L209 V216	F168-T205 HydrophobicContact CB-CG2 3.45Å; F168-T205 VanDerWaalsContact CB-CG2 3.45Å; G201-T205 WeakPolarHBondContact O-CB 3.41Å; G201-T205 PolarHBondContact O-N 3.45Å; G201-T205 PolarHBondContact O-OG1 2.62Å; R202-T205 PolarHBondContact O-N 3.16Å; E203-T205 VanDerWaalsContact C-N 3.3Å; E203-T205 PolarHBondContact O-N 2.99Å; T205-L208 PolarHBondContact O-N 2.86Å; T205-L209 PolarHBondContact O-N 3.35Å; T205-V216 HydrophobicContact CG2-CB 4.4Å; T205-V216 WeakPolarHBondContact OG1-CG1 3.47Å
206	L	93.3	Very high	93.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-67.6	-33.8	177.5	-67.1	174.9	0	0	0	112.6	W88 I150 L153 L165 F168 R202 E203 L208 L209	W88-L206 HydrophobicContact CD2-CB 3.79Å; W88-L206 HydrophobicContact CD2-CD1 3.91Å; W88-L206 HydrophobicContact CD2-CG 4.44Å; W88-L206 HydrophobicContact CE3-CD1 3.81Å; W88-L206 HydrophobicContact CG-CB 3.83Å; W88-L206 HydrophobicContact CH2-CD1 3.6Å; W88-L206 HydrophobicContact CZ2-CB 4.07Å; W88-L206 HydrophobicContact CZ2-CD1 3.75Å; W88-L206 HydrophobicContact CZ3-CD1 3.66Å; I150-L206 HydrophobicContact CD1-CD1 4.45Å; I150-L206 HydrophobicContact CG1-CD1 3.91Å; L153-L206 HydrophobicContact CD1-CD1 4.14Å; L165-L206 HydrophobicContact CD2-CD2 4.22Å; F168-L206 HydrophobicContact CD1-CD2 4.27Å; F168-L206 HydrophobicContact CE1-CD2 4.45Å; F168-L206 HydrophobicContact CG-CD2 4.44Å; R202-L206 WeakPolarHBondContact O-CG 3.44Å; R202-L206 PolarHBondContact O-N 3.32Å; E203-L206 PolarHBondContact O-N 3.38Å; L206-L208 VanDerWaalsContact C-N 3.28Å; L206-L208 PolarHBondContact O-N 2.87Å; L206-L209 HydrophobicContact CB-CD1 4.43Å; L206-L209 HydrophobicContact CD2-CD1 3.66Å; L206-L209 HydrophobicContact CD2-CG 4.45Å; L206-L209 WeakPolarHBondContact O-CG 3.4Å; L206-L209 PolarHBondContact O-N 2.87Å
207	D	95.1	Very high	93.3	Very high	10 Å²	10	30.9 Å²	30.9	5%	0.053	15%	0.149	C	C	.	.	H	α-helix	trans	-67.8	-27	176.6	-72.1	-24.5	0	0	0	113.7	E87 W88 E203 V204 R257 V261	E87-D207 WeakPolarHBondContact CB-O 3.32Å; W88-D207 PolarHBondContact NE1-OD1 2.77Å; E203-D207 PolarHBondContact O-N 2.85Å; V204-D207 PolarHBondContact O-N 2.82Å; D207-R257 VanDerWaalsContact CG-NH2 3.29Å; D207-R257 IonicContact OD1-CZ 3.16Å; D207-R257 IonicContact OD1-NE 3.58Å; D207-R257 IonicContact OD1-NH2 2.77Å; D207-R257 PolarHBondContact OD1-NH2 2.85Å; D207-R257 IonicContact OD2-CZ 3.4Å; D207-R257 VanDerWaalsContact OD2-CZ 3.26Å; D207-R257 IonicContact OD2-NE 3.61Å; D207-R257 PolarHBondContact OD2-NE 2.93Å; D207-R257 IonicContact OD2-NH2 3.54Å; D207-R257 PolarHBondContact OD2-NH2 2.76Å; D207-R257 VanDerWaalsContact OD2-NH2 3.1Å; D207-V261 HydrophobicContact CB-CG1 4.43Å; D207-V261 HydrophobicContact CB-CG2 3.72Å; D207-V261 WeakPolarHBondContact OD2-CG2 3.2Å
208	L	93.3	Very high	93.3	Very high	8 Å²	8	23.7 Å²	23.7	4%	0.042	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	8.1	-178.6	-70.2	175	0	0	0	113.6	V204 T205 L206 Q210 F211 I214 V216 L264 Q265	V204-L208 HydrophobicContact CG1-CD1 4.06Å; V204-L208 PolarHBondContact O-N 3.36Å; V204-L208 VanDerWaalsContact O-N 3.12Å; T205-L208 PolarHBondContact O-N 2.86Å; L206-L208 VanDerWaalsContact C-N 3.28Å; L206-L208 PolarHBondContact O-N 2.87Å; L208-Q210 PolarHBondContact O-N 3.07Å; L208-F211 HydrophobicContact CB-CD2 4.46Å; L208-F211 HydrophobicContact CD2-CB 4.17Å; L208-F211 HydrophobicContact CD2-CD1 4.35Å; L208-F211 HydrophobicContact CD2-CD2 3.63Å; L208-F211 HydrophobicContact CD2-CE2 4.05Å; L208-F211 HydrophobicContact CD2-CG 3.79Å; L208-F211 WeakPolarHBondContact O-CB 3.46Å; L208-F211 PolarHBondContact O-N 3.4Å; L208-I214 HydrophobicContact CD1-CD1 3.96Å; L208-V216 HydrophobicContact CB-CG2 4.09Å; L208-V216 HydrophobicContact CD1-CG2 3.48Å; L208-V216 VanDerWaalsContact CD1-CG2 3.48Å; L208-V216 HydrophobicContact CG-CG2 4.37Å; L208-L264 HydrophobicContact CD1-CB 3.68Å; L208-L264 HydrophobicContact CD1-CD1 3.55Å; L208-L264 HydrophobicContact CD1-CG 4.27Å; L208-Q265 HydrophobicContact CD2-CG 3.68Å
209	L	88.9	Confident	93.3	Very high	65 Å²	65	22.8 Å²	22.8	34%	0.34	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-31.3	178.6	-78.7	175.3	0	0	0	114.4	A91 T205 L206 F211	A91-L209 HydrophobicContact CB-CD1 3.6Å; T205-L209 PolarHBondContact O-N 3.35Å; L206-L209 HydrophobicContact CB-CD1 4.43Å; L206-L209 HydrophobicContact CD2-CD1 3.66Å; L206-L209 HydrophobicContact CD2-CG 4.45Å; L206-L209 WeakPolarHBondContact O-CG 3.4Å; L206-L209 PolarHBondContact O-N 2.87Å; L209-F211 VanDerWaalsContact C-N 3.3Å
210	Q	88.8	Confident	93.2	Very high	25 Å²	25	22 Å²	22	12%	0.117	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	10.2	179.5	-64	179.5	37.8	0	0	113.1	K86 E87 K89 L208 R272 S273	K86-Q210 PolarHBondContact O-NE2 3.41Å; E87-Q210 PolarHBondContact O-NE2 3.26Å; E87-Q210 PolarHBondContact OE2-OE1 3.36Å; K89-Q210 WeakPolarHBondContact O-CG 3.35Å; K89-Q210 PolarHBondContact O-NE2 2.05Å; L208-Q210 PolarHBondContact O-N 3.07Å; Q210-R272 HydrophobicContact CB-CG 4.36Å; Q210-R272 CarbonylContact O-C 3.55Å; Q210-R272 WeakPolarHBondContact O-CA 3.21Å; Q210-S273 PolarHBondContact O-N 3.08Å; Q210-S273 PolarHBondContact O-OG 2.88Å
211	F	91.4	Very high	93	Very high	28 Å²	28	23.8 Å²	23.8	12%	0.123	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.4	-176.5	-67.5	-99.7	0	0	0	110.4	L208 L209 I214 Q265 V270 V271 R272	L208-F211 HydrophobicContact CB-CD2 4.46Å; L208-F211 HydrophobicContact CD2-CB 4.17Å; L208-F211 HydrophobicContact CD2-CD1 4.35Å; L208-F211 HydrophobicContact CD2-CD2 3.63Å; L208-F211 HydrophobicContact CD2-CE2 4.05Å; L208-F211 HydrophobicContact CD2-CG 3.79Å; L208-F211 WeakPolarHBondContact O-CB 3.46Å; L208-F211 PolarHBondContact O-N 3.4Å; L209-F211 VanDerWaalsContact C-N 3.3Å; F211-I214 HydrophobicContact CB-CG2 3.77Å; F211-Q265 HydrophobicContact CD1-CG 4.26Å; F211-Q265 HydrophobicContact CE1-CB 4.39Å; F211-Q265 HydrophobicContact CE1-CG 3.71Å; F211-Q265 HydrophobicContact CE2-CG 4.44Å; F211-Q265 HydrophobicContact CZ-CG 3.81Å; F211-V270 HydrophobicContact CB-CG1 4.09Å; F211-V270 HydrophobicContact CD1-CG1 3.97Å; F211-V270 HydrophobicContact CG-CG1 4.44Å; F211-V271 CarbonylContact C-O 3.57Å; F211-V271 WeakPolarHBondContact CA-O 3.38Å; F211-R272 HydrophobicContact CD1-CB 4.39Å; F211-R272 HydrophobicContact CE1-CB 4.18Å
212	E	89.8	Confident	92.9	Very high	99 Å²	99	28 Å²	28	46%	0.463	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	162.3	174.6	-87.2	160.4	-136.2	0	0	111.4	I214 V271 S273	E212-I214 PolarHBondContact O-N 3.13Å; E212-I214 VanDerWaalsContact O-N 3.12Å; E212-V271 HydrophobicContact CB-CG2 4.25Å; E212-V271 PolarHBondContact N-O 2.84Å; E212-S273 VanDerWaalsContact CD-OG 3.27Å; E212-S273 VanDerWaalsContact CG-OG 3.24Å; E212-S273 WeakPolarHBondContact CG-OG 3.35Å; E212-S273 WeakPolarHBondContact OE1-CA 3.5Å; E212-S273 WeakPolarHBondContact OE1-CB 3.42Å; E212-S273 PolarHBondContact OE1-OG 3.23Å
213	N	91.6	Very high	92.7	Very high	51 Å²	51	30.2 Å²	30.2	27%	0.273	16%	0.156	S	C	.	.	S	Bend	trans	62.6	10	178.8	-60.1	-33.6	0	0	0	115.6	Q187 H188 G269	Q187-N213 HydrophobicContact CB-CB 4.37Å; Q187-N213 HydrophobicContact CG-CB 4.35Å; Q187-N213 PolarHBondContact N-O 3.43Å; H188-N213 PolarHBondContact CD2-O 2.64Å; H188-N213 PolarHBondContact N-O 2.82Å; N213-G269 WeakPolarHBondContact CB-O 3.42Å; N213-G269 PolarHBondContact ND2-O 2.99Å
214	I	92.4	Very high	92.3	Very high	10 Å²	10	37 Å²	37	5%	0.051	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.2	173.7	-173.2	160.8	0	0	0	111	H188 L208 F211 E212 L264 L267 V270	H188-I214 HydrophobicContact CB-CB 4.46Å; H188-I214 HydrophobicContact CB-CG1 4.27Å; H188-I214 CarbonylContact O-C 3.57Å; H188-I214 WeakPolarHBondContact O-CA 3.03Å; L208-I214 HydrophobicContact CD1-CD1 3.96Å; F211-I214 HydrophobicContact CB-CG2 3.77Å; E212-I214 PolarHBondContact O-N 3.13Å; E212-I214 VanDerWaalsContact O-N 3.12Å; I214-L264 HydrophobicContact CD1-CB 3.72Å; I214-L264 HydrophobicContact CD1-CD1 4.34Å; I214-L264 HydrophobicContact CD1-CD2 3.98Å; I214-L264 HydrophobicContact CD1-CG 4.21Å; I214-L267 HydrophobicContact CD1-CD1 4.3Å; I214-V270 HydrophobicContact CB-CG1 4.34Å; I214-V270 HydrophobicContact CB-CG2 3.91Å; I214-V270 HydrophobicContact CD1-CG2 4.37Å; I214-V270 HydrophobicContact CG2-CG1 3.81Å; I214-V270 HydrophobicContact CG2-CG2 4.3Å
215	T	91.7	Very high	91.9	Very high	33 Å²	33	43 Å²	43	20%	0.202	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	138.8	164.7	-64.4	0	0	0	0	108.6	F180 H188 L189 A190 R217	F180-T215 HydrophobicContact CE2-CG2 3.88Å; F180-T215 HydrophobicContact CZ-CG2 3.74Å; H188-T215 PolarHBondContact O-N 2.93Å; L189-T215 CarbonylContact C-O 3.59Å; L189-T215 WeakPolarHBondContact CA-O 3.43Å; L189-T215 HydrophobicContact CD1-CG2 4.25Å; A190-T215 PolarHBondContact N-O 3.38Å; T215-R217 HydrophobicContact CG2-CG 4.33Å
216	V	93.3	Very high	91.7	Very high	6 Å²	6	42.5 Å²	42.5	4%	0.036	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	138.7	177.7	-172.8	0	0	0	0	108.4	A190 I192 V204 T205 L208 L264	A190-V216 HydrophobicContact CB-CG1 4.46Å; A190-V216 HydrophobicContact CB-CG2 4.3Å; A190-V216 CarbonylContact O-C 3.59Å; A190-V216 WeakPolarHBondContact O-CA 3.06Å; I192-V216 HydrophobicContact CD1-CG1 3.69Å; I192-V216 HydrophobicContact CG1-CG1 4.25Å; V204-V216 HydrophobicContact CG1-CG1 4.14Å; V204-V216 HydrophobicContact CG1-CG2 4.33Å; T205-V216 HydrophobicContact CG2-CB 4.4Å; T205-V216 WeakPolarHBondContact OG1-CG1 3.47Å; L208-V216 HydrophobicContact CB-CG2 4.09Å; L208-V216 HydrophobicContact CD1-CG2 3.48Å; L208-V216 VanDerWaalsContact CD1-CG2 3.48Å; L208-V216 HydrophobicContact CG-CG2 4.37Å; V216-L264 HydrophobicContact CG2-CD1 4.25Å
217	R	92.8	Very high	91.6	Very high	23 Å²	23	43.2 Å²	43.2	9%	0.087	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	148.9	175.7	-66.8	-60.3	-170.9	117.7	18.9	110.7	P167 V172 E176 L189 A190 L191 I192 T215	P167-R217 VanDerWaalsContact CA-NH1 3.34Å; P167-R217 WeakPolarHBondContact O-CD 3.5Å; P167-R217 PolarHBondContact O-NH1 3.24Å; V172-R217 HydrophobicContact CB-CB 4.32Å; V172-R217 HydrophobicContact CG2-CB 3.55Å; V172-R217 HydrophobicContact CG2-CG 3.67Å; E176-R217 IonicContact OE1-CZ 3.52Å; E176-R217 IonicContact OE1-NH1 2.96Å; E176-R217 PolarHBondContact OE1-NH1 3Å; E176-R217 IonicContact OE1-NH2 3.38Å; E176-R217 PolarHBondContact OE1-NH2 3.37Å; L189-R217 HydrophobicContact CD1-CB 4.43Å; L189-R217 HydrophobicContact CD1-CG 3.91Å; A190-R217 PolarHBondContact O-N 2.96Å; L191-R217 WeakPolarHBondContact CA-O 2.99Å; L191-R217 HydrophobicContact CD2-CB 3.93Å; I192-R217 PolarHBondContact N-O 3.45Å; T215-R217 HydrophobicContact CG2-CG 4.33Å
218	R	93.4	Very high	91.5	Very high	13 Å²	13	46.8 Å²	46.8	5%	0.049	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	146.9	173.4	75.7	-178.3	-54.2	-147.3	-3.8	111.1	V172 I192 E194 D195 S198	V172-R218 PolarHBondContact N-O 2.77Å; I192-R218 CarbonylContact O-C 3.59Å; I192-R218 WeakPolarHBondContact O-CA 3.35Å; E194-R218 IonicContact OE1-CZ 3.04Å; E194-R218 IonicContact OE1-NE 3.48Å; E194-R218 PolarHBondContact OE1-NE 3.48Å; E194-R218 IonicContact OE1-NH2 2.8Å; E194-R218 PolarHBondContact OE1-NH2 2.89Å; D195-R218 PolarHBondContact O-NH2 2.88Å; S198-R218 PolarHBondContact O-NH2 2.98Å
219	V	94.4	Very high	91.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	125.8	172.4	-176.7	0	0	0	0	107.9	L191 I192 F193 E194 E223 L226	L191-V219 HydrophobicContact CD2-CG2 4.45Å; I192-V219 PolarHBondContact O-N 3.34Å; F193-V219 VanDerWaalsContact CA-O 3.28Å; F193-V219 WeakPolarHBondContact CA-O 3.39Å; F193-V219 HydrophobicContact CD1-CB 3.69Å; F193-V219 HydrophobicContact CD1-CG1 3.72Å; F193-V219 HydrophobicContact CE1-CB 3.72Å; F193-V219 HydrophobicContact CE1-CG1 3.54Å; F193-V219 HydrophobicContact CE1-CG2 4.15Å; F193-V219 HydrophobicContact CG-CB 4.29Å; F193-V219 HydrophobicContact CZ-CB 4.32Å; F193-V219 HydrophobicContact CZ-CG1 4.44Å; F193-V219 HydrophobicContact CZ-CG2 4.29Å; E194-V219 PolarHBondContact N-O 3.3Å; V219-E223 HydrophobicContact CG1-CB 4.12Å; V219-E223 HydrophobicContact CG1-CG 4.44Å; V219-L226 HydrophobicContact CG1-CD2 3.72Å; V219-L226 HydrophobicContact CG1-CG 4.45Å; V219-L226 HydrophobicContact CG2-CD2 4.24Å
220	L	94.1	Very high	91.4	Very high	27 Å²	27	50.7 Å²	50.7	14%	0.141	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	149.2	178.7	-65.3	177.9	0	0	0	111.7	T171 E194 T222 E223	T171-L220 HydrophobicContact CG2-CD1 4.28Å; T171-L220 PolarHBondContact OG1-N 3.34Å; E194-L220 CarbonylContact O-C 3.58Å; E194-L220 VanDerWaalsContact O-CA 3.3Å; E194-L220 WeakPolarHBondContact O-CA 3.31Å; L220-T222 WeakPolarHBondContact CB-OG1 3.13Å; L220-T222 PolarHBondContact O-N 3.36Å; L220-E223 WeakPolarHBondContact O-CB 3.41Å; L220-E223 PolarHBondContact O-N 3.03Å
221	D	92.6	Very high	91.7	Very high	66 Å²	66	51.9 Å²	51.9	35%	0.353	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-25.3	170.9	66.1	-24.1	0	0	0	113.2	E194 E223 F235	E194-D221 PolarHBondContact O-N 2.92Å; D221-E223 VanDerWaalsContact C-N 3.25Å; D221-E223 PolarHBondContact O-N 3.49Å; D221-F235 HydrophobicContact CB-CD1 3.88Å; D221-F235 HydrophobicContact CB-CE1 3.57Å; D221-F235 HydrophobicContact CB-CE2 4.48Å; D221-F235 HydrophobicContact CB-CG 4.45Å; D221-F235 HydrophobicContact CB-CZ 3.91Å
222	T	92.6	Very high	91.9	Very high	90 Å²	90	51 Å²	51	55%	0.552	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-13.6	173.8	59.8	0	0	0	0	114.5	L220 E224	L220-T222 WeakPolarHBondContact CB-OG1 3.13Å; L220-T222 PolarHBondContact O-N 3.36Å; T222-E224 PolarHBondContact O-N 3.1Å
223	E	90.8	Very high	92.1	Very high	56 Å²	56	51.7 Å²	51.7	26%	0.262	29%	0.285	S	S	.	.			trans	-79.6	58.7	173.8	-67	-62.8	142.6	0	0	110.8	T171 V219 L220 D221 H225 L226 V227	T171-E223 HydrophobicContact CG2-CG 4.31Å; V219-E223 HydrophobicContact CG1-CB 4.12Å; V219-E223 HydrophobicContact CG1-CG 4.44Å; L220-E223 WeakPolarHBondContact O-CB 3.41Å; L220-E223 PolarHBondContact O-N 3.03Å; D221-E223 VanDerWaalsContact C-N 3.25Å; D221-E223 PolarHBondContact O-N 3.49Å; E223-H225 PolarHBondContact O-N 2.98Å; E223-H225 VanDerWaalsContact O-N 3.08Å; E223-L226 HydrophobicContact CB-CB 4.37Å; E223-L226 PolarHBondContact O-N 3.47Å; E223-V227 WeakPolarHBondContact O-CG2 3.19Å; E223-V227 PolarHBondContact O-N 2.97Å
224	E	87.8	Confident	92.2	Very high	152 Å²	152	53.4 Å²	53.4	71%	0.71	29%	0.291	S	S	*	.	H	α-helix	trans	-52.2	-38.4	-168.3	-66.6	-176.6	177.8	0	0	113.5	T222 S228	T222-E224 PolarHBondContact O-N 3.1Å; E224-S228 WeakPolarHBondContact O-CB 3.39Å; E224-S228 PolarHBondContact O-N 3.25Å; E224-S228 PolarHBondContact O-OG 2.99Å
225	H	88	Confident	92.3	Very high	124 Å²	124	56.7 Å²	56.7	57%	0.574	31%	0.305	S	S	*	.	H	α-helix	trans	-64.1	-46	179.2	-174.7	-97.1	0	0	0	111.8	E174 E223 S228 K229	E174-H225 IonicContact OE2-CE1 3.69Å; E174-H225 PolarHBondContact OE2-CE1 3.35Å; E174-H225 IonicContact OE2-ND1 2.76Å; E174-H225 PolarHBondContact OE2-ND1 3.43Å; E223-H225 PolarHBondContact O-N 2.98Å; E223-H225 VanDerWaalsContact O-N 3.08Å; H225-S228 PolarHBondContact O-OG 3.2Å; H225-S228 VanDerWaalsContact O-OG 3.07Å; H225-K229 WeakPolarHBondContact O-CB 3.44Å; H225-K229 PolarHBondContact O-N 3.27Å
226	L	88.9	Confident	92.5	Very high	6 Å²	6	56.9 Å²	56.9	3%	0.031	31%	0.307	C	S	.	.	H	α-helix	trans	-71.7	-43.7	-179	179.9	60.3	0	0	0	111.2	E174 I177 V219 E223 S228 K229 L230	E174-L226 HydrophobicContact CB-CD1 4.13Å; E174-L226 HydrophobicContact CG-CD1 4.3Å; I177-L226 HydrophobicContact CD1-CD1 3.86Å; I177-L226 HydrophobicContact CD1-CD2 3.5Å; I177-L226 HydrophobicContact CD1-CG 4.26Å; V219-L226 HydrophobicContact CG1-CD2 3.72Å; V219-L226 HydrophobicContact CG1-CG 4.45Å; V219-L226 HydrophobicContact CG2-CD2 4.24Å; E223-L226 HydrophobicContact CB-CB 4.37Å; E223-L226 PolarHBondContact O-N 3.47Å; L226-S228 PolarHBondContact O-N 3.09Å; L226-K229 PolarHBondContact O-N 2.91Å; L226-L230 HydrophobicContact CD1-CD1 3.59Å; L226-L230 HydrophobicContact CD1-CG 4.07Å; L226-L230 HydrophobicContact CG-CD1 4.06Å; L226-L230 WeakPolarHBondContact O-CB 3.48Å; L226-L230 WeakPolarHBondContact O-CG 3.31Å; L226-L230 PolarHBondContact O-N 2.99Å
227	V	92.6	Very high	92.8	Very high	16 Å²	16	56.6 Å²	56.6	10%	0.097	31%	0.305	C	S	.	.	H	α-helix	trans	-57.9	-48.6	176.6	169.2	0	0	0	0	110.9	F193 E223 G231 V232 F235	F193-V227 HydrophobicContact CD1-CG2 4.07Å; F193-V227 HydrophobicContact CE1-CG2 4.24Å; E223-V227 WeakPolarHBondContact O-CG2 3.19Å; E223-V227 PolarHBondContact O-N 2.97Å; V227-G231 PolarHBondContact O-N 3.44Å; V227-V232 HydrophobicContact CG1-CB 4.28Å; V227-V232 WeakPolarHBondContact CG1-O 3.33Å; V227-V232 PolarHBondContact O-N 3.47Å; V227-F235 HydrophobicContact CG1-CZ 3.79Å; V227-F235 HydrophobicContact CG2-CE1 4.48Å; V227-F235 HydrophobicContact CG2-CZ 4.31Å
228	S	91.8	Very high	93	Very high	84 Å²	84	55.5 Å²	55.5	59%	0.587	30%	0.301	S	S	*	.	H	α-helix	trans	-68.8	-41.4	179.8	59.8	0	0	0	0	112.6	E224 H225 L226 L230 G231	E224-S228 WeakPolarHBondContact O-CB 3.39Å; E224-S228 PolarHBondContact O-N 3.25Å; E224-S228 PolarHBondContact O-OG 2.99Å; H225-S228 PolarHBondContact O-OG 3.2Å; H225-S228 VanDerWaalsContact O-OG 3.07Å; L226-S228 PolarHBondContact O-N 3.09Å; S228-L230 VanDerWaalsContact C-N 3.31Å; S228-L230 PolarHBondContact O-N 3.12Å; S228-G231 PolarHBondContact O-N 3.15Å
229	K	89.7	Confident	93.2	Very high	120 Å²	120	55.9 Å²	55.9	52%	0.522	30%	0.303	S	S	.	.	H	α-helix	trans	-60.1	-40.8	176.9	-176.5	-175.9	-178.7	-170.4	0	112.3	E174 H225 L226 G231	E174-K229 WeakPolarHBondContact OE1-CD 3.3Å; E174-K229 IonicContact OE1-NZ 2.71Å; E174-K229 PolarHBondContact OE1-NZ 3.29Å; H225-K229 WeakPolarHBondContact O-CB 3.44Å; H225-K229 PolarHBondContact O-N 3.27Å; L226-K229 PolarHBondContact O-N 2.91Å; K229-G231 VanDerWaalsContact C-N 3.34Å
230	L	91.3	Very high	93.3	Very high	36 Å²	36	56.4 Å²	56.4	19%	0.188	31%	0.305	C	S	.	.	H	α-helix	trans	-86.7	-4.6	179.7	-66.4	177.3	0	0	0	113.3	L191 F193 L226 S228 V232 F247	L191-L230 HydrophobicContact CD1-CD1 4.5Å; F193-L230 HydrophobicContact CZ-CD1 3.83Å; L226-L230 HydrophobicContact CD1-CD1 3.59Å; L226-L230 HydrophobicContact CD1-CG 4.07Å; L226-L230 HydrophobicContact CG-CD1 4.06Å; L226-L230 WeakPolarHBondContact O-CB 3.48Å; L226-L230 WeakPolarHBondContact O-CG 3.31Å; L226-L230 PolarHBondContact O-N 2.99Å; S228-L230 VanDerWaalsContact C-N 3.31Å; S228-L230 PolarHBondContact O-N 3.12Å; L230-V232 HydrophobicContact CB-CG2 4.17Å; L230-V232 PolarHBondContact O-N 3.49Å; L230-F247 HydrophobicContact CB-CD1 4.26Å; L230-F247 HydrophobicContact CB-CE1 3.71Å; L230-F247 HydrophobicContact CB-CZ 3.92Å; L230-F247 HydrophobicContact CD1-CE2 4.08Å; L230-F247 HydrophobicContact CD1-CZ 4.02Å; L230-F247 HydrophobicContact CD2-CD1 4.17Å; L230-F247 HydrophobicContact CD2-CD2 4.42Å; L230-F247 HydrophobicContact CD2-CE1 4.35Å; L230-F247 HydrophobicContact CD2-CG 4.19Å; L230-F247 HydrophobicContact CG-CE1 4.42Å; L230-F247 HydrophobicContact CG-CZ 4.38Å; L230-F247 WeakPolarHBondContact O-CE1 3.41Å
231	G	93.9	Very high	93.2	Very high	50 Å²	50	56.7 Å²	56.7	52%	0.515	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	28.5	176.6	0	0	0	0	0	114.2	V227 S228 K229	V227-G231 PolarHBondContact O-N 3.44Å; S228-G231 PolarHBondContact O-N 3.15Å; K229-G231 VanDerWaalsContact C-N 3.34Å
232	V	95.9	Very high	93	Very high	8 Å²	8	55 Å²	55	5%	0.048	29%	0.294	C	S	.	.			trans	-80.7	130.4	-179.4	-179.2	0	0	0	0	110.2	F193 V227 L230 F235 Y239 F247	F193-V232 HydrophobicContact CB-CG1 3.93Å; F193-V232 HydrophobicContact CD1-CB 4.26Å; F193-V232 HydrophobicContact CD1-CG1 4.05Å; F193-V232 HydrophobicContact CD1-CG2 4.14Å; F193-V232 HydrophobicContact CD2-CG1 4.17Å; F193-V232 HydrophobicContact CD2-CG2 4.03Å; F193-V232 HydrophobicContact CE1-CB 4.41Å; F193-V232 HydrophobicContact CE1-CG2 3.91Å; F193-V232 HydrophobicContact CE2-CG2 3.82Å; F193-V232 HydrophobicContact CG-CB 4.39Å; F193-V232 HydrophobicContact CG-CG1 3.78Å; F193-V232 HydrophobicContact CG-CG2 4.19Å; F193-V232 HydrophobicContact CZ-CG2 3.76Å; V227-V232 HydrophobicContact CG1-CB 4.28Å; V227-V232 WeakPolarHBondContact CG1-O 3.33Å; V227-V232 PolarHBondContact O-N 3.47Å; L230-V232 HydrophobicContact CB-CG2 4.17Å; L230-V232 PolarHBondContact O-N 3.49Å; V232-F235 HydrophobicContact CG1-CE1 4.44Å; V232-F235 HydrophobicContact CG1-CZ 4.25Å; V232-Y239 HydrophobicContact CB-CE2 4.47Å; V232-Y239 HydrophobicContact CG1-CE2 3.94Å; V232-Y239 HydrophobicContact CG2-CD2 4.26Å; V232-Y239 HydrophobicContact CG2-CE2 3.81Å; V232-F247 HydrophobicContact CG2-CE1 4.14Å; V232-F247 HydrophobicContact CG2-CZ 3.98Å
233	T	93.6	Very high	92.5	Very high	114 Å²	114	54.9 Å²	54.9	70%	0.699	30%	0.295	S	S	*	.			trans	-129.1	-14.5	-175.4	51.4	0	0	0	0	114.4
234	E	94.2	Very high	92.2	Very high	87 Å²	87	57.2 Å²	57.2	41%	0.407	31%	0.309	S	S	.	.	S	Bend	trans	-112	138.6	-177.3	-67	179.7	-141.7	0	0	110.3	S237 R249	E234-S237 VanDerWaalsContact O-CB 3.26Å; E234-S237 WeakPolarHBondContact O-CB 3.42Å; E234-S237 PolarHBondContact O-OG 3.41Å; E234-R249 IonicContact OE1-CZ 2.8Å; E234-R249 IonicContact OE1-NH1 3.71Å; E234-R249 PolarHBondContact OE1-NH1 2.71Å; E234-R249 IonicContact OE1-NH2 3.84Å; E234-R249 IonicContact OE2-CZ 3.79Å; E234-R249 IonicContact OE2-NH1 3.66Å; E234-R249 PolarHBondContact OE2-NH1 3.17Å; E234-R249 IonicContact OE2-NH2 3.39Å; E234-R249 PolarHBondContact OE2-NH2 2.83Å
235	F	95	Very high	92	Very high	79 Å²	79	51.9 Å²	51.9	35%	0.346	30%	0.295	S	S	.	.	S	Bend	trans	-137.1	129.4	179.6	-59.8	-93.2	0	0	0	109.7	F193 D221 V227 V232	F193-F235 HydrophobicContact CB-CD1 3.98Å; F193-F235 HydrophobicContact CB-CE1 3.85Å; D221-F235 HydrophobicContact CB-CD1 3.88Å; D221-F235 HydrophobicContact CB-CE1 3.57Å; D221-F235 HydrophobicContact CB-CE2 4.48Å; D221-F235 HydrophobicContact CB-CG 4.45Å; D221-F235 HydrophobicContact CB-CZ 3.91Å; V227-F235 HydrophobicContact CG1-CZ 3.79Å; V227-F235 HydrophobicContact CG2-CE1 4.48Å; V227-F235 HydrophobicContact CG2-CZ 4.31Å; V232-F235 HydrophobicContact CG1-CE1 4.44Å; V232-F235 HydrophobicContact CG1-CZ 4.25Å
236	P	96.8	Very high	92.1	Very high	37 Å²	37	51.2 Å²	51.2	24%	0.24	29%	0.287	C	S	.	.	S	Bend	cis	-70.9	151.1	-7.9	31.7	-35.2	0	0	0	111.9	F193 E194 I200 E255 Y260	F193-P236 CarbonylContact O-C 3.55Å; F193-P236 WeakPolarHBondContact O-CA 3.16Å; E194-P236 HydrophobicContact CB-CB 4.37Å; I200-P236 HydrophobicContact CD1-CB 4.17Å; I200-P236 HydrophobicContact CD1-CG 3.81Å; P236-E255 HydrophobicContact CG-CB 4.06Å; P236-E255 WeakPolarHBondContact CG-O 3.36Å; P236-E255 WeakPolarHBondContact O-CB 3.25Å; P236-E255 WeakPolarHBondContact O-CG 3.33Å; P236-Y260 PolarHBondContact O-OH 3.31Å
237	S	97.7	Very high	92.3	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	150.7	171.4	59.7	0	0	0	0	111.5	I192 F193 E234 Y239 Y260	I192-S237 WeakPolarHBondContact CA-O 3.44Å; F193-S237 PolarHBondContact N-O 2.88Å; F193-S237 PolarHBondContact O-N 3.45Å; E234-S237 VanDerWaalsContact O-CB 3.26Å; E234-S237 WeakPolarHBondContact O-CB 3.42Å; E234-S237 PolarHBondContact O-OG 3.41Å; S237-Y239 WeakPolarHBondContact OG-CE2 3.35Å; S237-Y260 WeakPolarHBondContact CA-OH 3.45Å; S237-Y260 PolarHBondContact N-OH 2.84Å
238	C	98	Very high	92.4	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	138.3	-179.9	-173.3	0	0	0	0	111.6	L191 I192 L250 Y260	L191-C238 CarbonylContact O-C 3.6Å; L191-C238 WeakPolarHBondContact O-CA 3.4Å; I192-C238 HydrophobicContact CG1-CB 4.16Å; C238-L250 HydrophobicContact CB-CB 4.15Å; C238-L250 HydrophobicContact CB-CD2 4.12Å; C238-L250 WeakPolarHBondContact O-CB 3.25Å; C238-L250 PolarHBondContact O-N 3.38Å; C238-Y260 HydrophobicContact CB-CD1 3.57Å; C238-Y260 HydrophobicContact CB-CE1 3.3Å; C238-Y260 HydrophobicContact CB-CE2 4.38Å; C238-Y260 HydrophobicContact CB-CG 4.22Å; C238-Y260 PolarHBondContact N-OH 3.48Å
239	Y	97.4	Very high	92.6	Very high	22 Å²	22	57.3 Å²	57.3	9%	0.086	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	151.8	177.3	-65.9	-103.6	0	0	0	111	A190 L191 F193 V232 S237 F247 E248 R249	A190-Y239 CarbonylContact C-O 3.6Å; A190-Y239 WeakPolarHBondContact CA-O 3.31Å; L191-Y239 PolarHBondContact N-O 2.91Å; L191-Y239 PolarHBondContact O-N 3.37Å; F193-Y239 AromaticContact CD2-CD2 3.71Å; F193-Y239 HydrophobicContact CD2-CD2 3.71Å; F193-Y239 HydrophobicContact CD2-CE2 4.17Å; F193-Y239 AromaticContact CE2-CD2 3.82Å; F193-Y239 HydrophobicContact CE2-CD2 3.82Å; F193-Y239 HydrophobicContact CE2-CE2 4.5Å; F193-Y239 HydrophobicContact CE2-CG 4.43Å; V232-Y239 HydrophobicContact CB-CE2 4.47Å; V232-Y239 HydrophobicContact CG1-CE2 3.94Å; V232-Y239 HydrophobicContact CG2-CD2 4.26Å; V232-Y239 HydrophobicContact CG2-CE2 3.81Å; S237-Y239 WeakPolarHBondContact OG-CE2 3.35Å; Y239-F247 HydrophobicContact CD1-CD1 4.08Å; Y239-F247 AromaticContact CD1-CE1 3.37Å; Y239-F247 HydrophobicContact CD1-CE1 3.37Å; Y239-F247 AromaticContact CD1-CE2 3.97Å; Y239-F247 HydrophobicContact CD1-CE2 3.97Å; Y239-F247 AromaticContact CD1-CZ 3.34Å; Y239-F247 HydrophobicContact CD1-CZ 3.34Å; Y239-F247 AromaticContact CD2-CZ 3.87Å; Y239-F247 HydrophobicContact CD2-CZ 3.87Å; Y239-F247 AromaticContact CE1-CE1 3.82Å; Y239-F247 HydrophobicContact CE1-CE1 3.82Å; Y239-F247 HydrophobicContact CE1-CZ 4.08Å; Y239-F247 AromaticContact CG-CE1 3.83Å; Y239-F247 HydrophobicContact CG-CE1 3.83Å; Y239-F247 AromaticContact CG-CE2 3.68Å; Y239-F247 HydrophobicContact CG-CE2 3.68Å; Y239-F247 AromaticContact CG-CZ 3.24Å; Y239-F247 HydrophobicContact CG-CZ 3.24Å; Y239-E248 CarbonylContact C-O 3.55Å; Y239-E248 VanDerWaalsContact CA-O 3.29Å; Y239-E248 WeakPolarHBondContact CA-O 3.27Å; Y239-R249 HydrophobicContact CD1-CB 3.78Å; Y239-R249 HydrophobicContact CD1-CG 4.26Å; Y239-R249 HydrophobicContact CE1-CB 3.5Å; Y239-R249 HydrophobicContact CE1-CG 3.84Å
240	L	95.9	Very high	92.9	Very high	10 Å²	10	52.3 Å²	52.3	5%	0.052	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	131.4	171.1	-60.7	176.9	0	0	0	109.2	L189 A190 Y242 F247 E248 L250 L264 L267	L189-L240 WeakPolarHBondContact O-CA 3.43Å; A190-L240 HydrophobicContact CB-CD2 4.09Å; L240-Y242 HydrophobicContact CB-CE2 3.99Å; L240-Y242 WeakPolarHBondContact CD1-OH 3.45Å; L240-F247 WeakPolarHBondContact O-CA 3.25Å; L240-E248 PolarHBondContact N-O 2.75Å; L240-E248 PolarHBondContact O-N 3.44Å; L240-L250 HydrophobicContact CD1-CD1 4.29Å; L240-L264 HydrophobicContact CD2-CD2 3.72Å; L240-L267 HydrophobicContact CD1-CD1 3.9Å; L240-L267 HydrophobicContact CD1-CD2 3.81Å; L240-L267 HydrophobicContact CD2-CD1 3.76Å
241	Y	92.4	Very high	93.1	Very high	33 Å²	33	56.8 Å²	56.8	13%	0.129	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.9	175.1	-167.4	-103.3	0	0	0	108.7	I177 F181 L189 F247	I177-Y241 HydrophobicContact CG2-CD1 3.75Å; I177-Y241 HydrophobicContact CG2-CE1 3.45Å; I177-Y241 VanDerWaalsContact CG2-CE1 3.45Å; I177-Y241 HydrophobicContact CG2-CE2 4.29Å; I177-Y241 HydrophobicContact CG2-CG 4.31Å; F181-Y241 AromaticContact CE2-CD1 3.64Å; F181-Y241 HydrophobicContact CE2-CD1 3.64Å; F181-Y241 AromaticContact CE2-CE1 3.98Å; F181-Y241 HydrophobicContact CE2-CE1 3.98Å; F181-Y241 HydrophobicContact CZ-CD1 4.37Å; F181-Y241 WeakPolarHBondContact CZ-O 3.23Å; L189-Y241 HydrophobicContact CD2-CD1 4.09Å; L189-Y241 PolarHBondContact N-O 2.9Å; L189-Y241 PolarHBondContact O-N 3.46Å; Y241-F247 HydrophobicContact CD2-CB 4.18Å; Y241-F247 AromaticContact CD2-CD2 3.84Å; Y241-F247 HydrophobicContact CD2-CD2 3.84Å; Y241-F247 HydrophobicContact CD2-CG 4.42Å
242	Y	88.5	Confident	93.2	Very high	32 Å²	32	55.7 Å²	55.7	13%	0.125	29%	0.291	C	S	.	.			trans	-115.9	159.3	-174.6	-68.4	-75.2	0	0	0	112.1	H188 L240 D244 G245 R246	H188-Y242 AromaticContact ND1-CE1 3.59Å; L240-Y242 HydrophobicContact CB-CE2 3.99Å; L240-Y242 WeakPolarHBondContact CD1-OH 3.45Å; Y242-D244 WeakPolarHBondContact CB-OD1 3.45Å; Y242-D244 PolarHBondContact O-N 2.92Å; Y242-D244 VanDerWaalsContact O-N 3.16Å; Y242-G245 PolarHBondContact O-N 3.44Å; Y242-R246 HydrophobicContact CD2-CB 3.92Å; Y242-R246 PolarHBondContact N-O 2.91Å
243	P	82.4	Confident	93.1	Very high	87 Å²	87	63.1 Å²	63.1	57%	0.565	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.1	-179.8	-23.2	31.9	0	0	0	115	F181 G245	F181-P243 HydrophobicContact CB-CB 4.33Å; F181-P243 HydrophobicContact CD1-CB 4.38Å; F181-P243 HydrophobicContact CD1-CG 3.73Å; F181-P243 HydrophobicContact CD2-CB 4.11Å; F181-P243 HydrophobicContact CD2-CG 4.16Å; F181-P243 HydrophobicContact CE1-CG 3.85Å; F181-P243 HydrophobicContact CE2-CB 4.49Å; F181-P243 HydrophobicContact CE2-CG 4.24Å; F181-P243 HydrophobicContact CG-CB 4.03Å; F181-P243 HydrophobicContact CG-CG 3.89Å; F181-P243 HydrophobicContact CZ-CG 4.11Å; P243-G245 PolarHBondContact O-N 3.31Å
244	D	84.5	Confident	93.2	Very high	105 Å²	105	62.9 Å²	62.9	56%	0.561	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	3.5	176.4	60.9	0	0	0	0	113.2	Y242 R246	Y242-D244 WeakPolarHBondContact CB-OD1 3.45Å; Y242-D244 PolarHBondContact O-N 2.92Å; Y242-D244 VanDerWaalsContact O-N 3.16Å; D244-R246 VanDerWaalsContact C-N 3.29Å; D244-R246 WeakPolarHBondContact OD1-CB 3.43Å; D244-R246 WeakPolarHBondContact OD1-CG 3.19Å; D244-R246 PolarHBondContact OD1-N 3.3Å; D244-R246 VanDerWaalsContact OD1-N 3.08Å; D244-R246 IonicContact OD1-NE 2.78Å; D244-R246 PolarHBondContact OD1-NE 2.89Å; D244-R246 IonicContact OD2-CZ 3.39Å; D244-R246 IonicContact OD2-NE 3.17Å; D244-R246 PolarHBondContact OD2-NE 3.47Å; D244-R246 IonicContact OD2-NH2 3.84Å
245	G	83.2	Confident	93.3	Very high	40 Å²	40	60.6 Å²	60.6	41%	0.412	30%	0.301	S	S	.	.	S	Bend	trans	80.7	3.9	-178	0	0	0	0	0	114	Y242 P243 F247	Y242-G245 PolarHBondContact O-N 3.44Å; P243-G245 PolarHBondContact O-N 3.31Å; G245-F247 PolarHBondContact O-N 3.03Å
246	R	89.9	Confident	93.4	Very high	109 Å²	109	60 Å²	60	41%	0.411	30%	0.304	S	S	.	.			trans	-63.2	136.2	171.4	-72.6	-171.8	-63.1	115.8	9.8	110	Y242 D244 E248	Y242-R246 HydrophobicContact CD2-CB 3.92Å; Y242-R246 PolarHBondContact N-O 2.91Å; D244-R246 VanDerWaalsContact C-N 3.29Å; D244-R246 WeakPolarHBondContact OD1-CB 3.43Å; D244-R246 WeakPolarHBondContact OD1-CG 3.19Å; D244-R246 PolarHBondContact OD1-N 3.3Å; D244-R246 VanDerWaalsContact OD1-N 3.08Å; D244-R246 IonicContact OD1-NE 2.78Å; D244-R246 PolarHBondContact OD1-NE 2.89Å; D244-R246 IonicContact OD2-CZ 3.39Å; D244-R246 IonicContact OD2-NE 3.17Å; D244-R246 PolarHBondContact OD2-NE 3.47Å; D244-R246 IonicContact OD2-NH2 3.84Å; R246-E248 IonicContact CZ-OE1 2.62Å; R246-E248 IonicContact NH1-OE1 2.79Å; R246-E248 PolarHBondContact NH1-OE1 2.78Å
247	F	93	Very high	93.4	Very high	50 Å²	50	59.4 Å²	59.4	22%	0.219	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	114.6	179.9	-178.3	-114.7	0	0	0	109	L191 F193 L230 V232 Y239 L240 Y241 G245	L191-F247 HydrophobicContact CD1-CE2 4.24Å; F193-F247 HydrophobicContact CE2-CE2 4.29Å; F193-F247 AromaticContact CE2-CZ 3.93Å; F193-F247 HydrophobicContact CE2-CZ 3.93Å; F193-F247 HydrophobicContact CZ-CZ 4.2Å; L230-F247 HydrophobicContact CB-CD1 4.26Å; L230-F247 HydrophobicContact CB-CE1 3.71Å; L230-F247 HydrophobicContact CB-CZ 3.92Å; L230-F247 HydrophobicContact CD1-CE2 4.08Å; L230-F247 HydrophobicContact CD1-CZ 4.02Å; L230-F247 HydrophobicContact CD2-CD1 4.17Å; L230-F247 HydrophobicContact CD2-CD2 4.42Å; L230-F247 HydrophobicContact CD2-CE1 4.35Å; L230-F247 HydrophobicContact CD2-CG 4.19Å; L230-F247 HydrophobicContact CG-CE1 4.42Å; L230-F247 HydrophobicContact CG-CZ 4.38Å; L230-F247 WeakPolarHBondContact O-CE1 3.41Å; V232-F247 HydrophobicContact CG2-CE1 4.14Å; V232-F247 HydrophobicContact CG2-CZ 3.98Å; Y239-F247 HydrophobicContact CD1-CD1 4.08Å; Y239-F247 AromaticContact CD1-CE1 3.37Å; Y239-F247 HydrophobicContact CD1-CE1 3.37Å; Y239-F247 AromaticContact CD1-CE2 3.97Å; Y239-F247 HydrophobicContact CD1-CE2 3.97Å; Y239-F247 AromaticContact CD1-CZ 3.34Å; Y239-F247 HydrophobicContact CD1-CZ 3.34Å; Y239-F247 AromaticContact CD2-CZ 3.87Å; Y239-F247 HydrophobicContact CD2-CZ 3.87Å; Y239-F247 AromaticContact CE1-CE1 3.82Å; Y239-F247 HydrophobicContact CE1-CE1 3.82Å; Y239-F247 HydrophobicContact CE1-CZ 4.08Å; Y239-F247 AromaticContact CG-CE1 3.83Å; Y239-F247 HydrophobicContact CG-CE1 3.83Å; Y239-F247 AromaticContact CG-CE2 3.68Å; Y239-F247 HydrophobicContact CG-CE2 3.68Å; Y239-F247 AromaticContact CG-CZ 3.24Å; Y239-F247 HydrophobicContact CG-CZ 3.24Å; L240-F247 WeakPolarHBondContact O-CA 3.25Å; Y241-F247 HydrophobicContact CD2-CB 4.18Å; Y241-F247 AromaticContact CD2-CD2 3.84Å; Y241-F247 HydrophobicContact CD2-CD2 3.84Å; Y241-F247 HydrophobicContact CD2-CG 4.42Å; G245-F247 PolarHBondContact O-N 3.03Å
248	E	95.1	Very high	93.3	Very high	87 Å²	87	64.3 Å²	64.3	41%	0.407	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.7	-169.9	-67.7	178.2	-166.7	0	0	110.7	Y239 L240 R246 L250	Y239-E248 CarbonylContact C-O 3.55Å; Y239-E248 VanDerWaalsContact CA-O 3.29Å; Y239-E248 WeakPolarHBondContact CA-O 3.27Å; L240-E248 PolarHBondContact N-O 2.75Å; L240-E248 PolarHBondContact O-N 3.44Å; R246-E248 IonicContact CZ-OE1 2.62Å; R246-E248 IonicContact NH1-OE1 2.79Å; R246-E248 PolarHBondContact NH1-OE1 2.78Å; E248-L250 PolarHBondContact O-N 3.38Å
249	R	96.3	Very high	93.3	Very high	97 Å²	97	67.8 Å²	67.8	37%	0.366	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	130.7	176.3	-172.5	172	172.7	-174.1	1.7	110.3	E234 Y239 V251 E255	E234-R249 IonicContact OE1-CZ 2.8Å; E234-R249 IonicContact OE1-NH1 3.71Å; E234-R249 PolarHBondContact OE1-NH1 2.71Å; E234-R249 IonicContact OE1-NH2 3.84Å; E234-R249 IonicContact OE2-CZ 3.79Å; E234-R249 IonicContact OE2-NH1 3.66Å; E234-R249 PolarHBondContact OE2-NH1 3.17Å; E234-R249 IonicContact OE2-NH2 3.39Å; E234-R249 PolarHBondContact OE2-NH2 2.83Å; Y239-R249 HydrophobicContact CD1-CB 3.78Å; Y239-R249 HydrophobicContact CD1-CG 4.26Å; Y239-R249 HydrophobicContact CE1-CB 3.5Å; Y239-R249 HydrophobicContact CE1-CG 3.84Å; R249-V251 PolarHBondContact O-N 3.27Å; R249-E255 IonicContact CZ-OE1 3.13Å; R249-E255 IonicContact NE-OE1 3.99Å; R249-E255 IonicContact NH2-OE1 3.22Å; R249-E255 PolarHBondContact NH2-OE1 2.91Å
250	L	96.4	Very high	93.3	Very high	16 Å²	16	66.7 Å²	66.7	8%	0.084	34%	0.338	C	S	.	.			trans	-76.5	102.6	171.1	-174.2	68.8	0	0	0	109	C238 L240 E248 V252 Y260 A263 L264	C238-L250 HydrophobicContact CB-CB 4.15Å; C238-L250 HydrophobicContact CB-CD2 4.12Å; C238-L250 WeakPolarHBondContact O-CB 3.25Å; C238-L250 PolarHBondContact O-N 3.38Å; L240-L250 HydrophobicContact CD1-CD1 4.29Å; E248-L250 PolarHBondContact O-N 3.38Å; L250-V252 HydrophobicContact CD2-CG1 4.35Å; L250-V252 HydrophobicContact CG-CG1 4.2Å; L250-V252 PolarHBondContact O-N 3.01Å; L250-V252 VanDerWaalsContact O-N 3.16Å; L250-Y260 HydrophobicContact CD2-CD1 4.28Å; L250-A263 HydrophobicContact CD1-CB 4.08Å; L250-A263 HydrophobicContact CD2-CB 3.96Å; L250-A263 HydrophobicContact CG-CB 4.19Å; L250-L264 HydrophobicContact CD2-CD2 3.67Å; L250-L264 HydrophobicContact CD2-CG 3.89Å
251	V	94.2	Very high	93.3	Very high	130 Å²	130	67 Å²	67	79%	0.788	34%	0.34	S	S	*	.			trans	-74.2	109.2	-178.6	-177.1	0	0	0	0	110.1	R249	R249-V251 PolarHBondContact O-N 3.27Å
252	V	96	Very high	93.5	Very high	27 Å²	27	71.7 Å²	71.7	16%	0.164	36%	0.359	C	S	.	.			trans	-121.7	158.8	172.5	-64.3	0	0	0	0	110.9	L250 F254 E255 F259 Y260 A263	L250-V252 HydrophobicContact CD2-CG1 4.35Å; L250-V252 HydrophobicContact CG-CG1 4.2Å; L250-V252 PolarHBondContact O-N 3.01Å; L250-V252 VanDerWaalsContact O-N 3.16Å; V252-F254 WeakPolarHBondContact CG2-O 3.45Å; V252-E255 WeakPolarHBondContact CG2-OE2 3.33Å; V252-F259 HydrophobicContact CB-CB 4.09Å; V252-F259 HydrophobicContact CB-CD1 4.48Å; V252-F259 HydrophobicContact CG1-CB 4.34Å; V252-F259 HydrophobicContact CG2-CB 4.48Å; V252-Y260 HydrophobicContact CG1-CD1 4.25Å; V252-Y260 HydrophobicContact CG2-CD1 4.07Å; V252-Y260 HydrophobicContact CG2-CE1 3.77Å; V252-A263 HydrophobicContact CG1-CB 3.86Å
253	K	94.6	Very high	93.9	Very high	164 Å²	164	71.1 Å²	71.1	71%	0.713	36%	0.361	S	S	*	.	S	Bend	trans	-70.6	-34	179.4	-171.5	177.3	177.6	179.4	0	112.6	F259	K253-F259 HydrophobicContact CB-CD1 4.16Å; K253-F259 HydrophobicContact CB-CE1 3.73Å; K253-F259 HydrophobicContact CB-CZ 4.42Å
254	F	95.8	Very high	94.6	Very high	108 Å²	108	67 Å²	67	47%	0.474	33%	0.334	S	S	.	.	S	Bend	trans	-141.5	133.5	-179.2	-59.1	-74	0	0	0	109.3	V252 V256 F259	V252-F254 WeakPolarHBondContact CG2-O 3.45Å; F254-V256 HydrophobicContact CB-CG2 4.08Å; F254-V256 PolarHBondContact O-N 3.49Å; F254-F259 HydrophobicContact CB-CD2 4.11Å; F254-F259 HydrophobicContact CB-CE2 4.31Å; F254-F259 HydrophobicContact CB-CG 4.44Å; F254-F259 HydrophobicContact CD2-CD2 4.24Å; F254-F259 HydrophobicContact CD2-CE1 4.19Å; F254-F259 AromaticContact CD2-CE2 3.61Å; F254-F259 HydrophobicContact CD2-CE2 3.61Å; F254-F259 AromaticContact CD2-CZ 3.58Å; F254-F259 HydrophobicContact CD2-CZ 3.58Å; F254-F259 HydrophobicContact CE2-CE2 4.46Å; F254-F259 HydrophobicContact CE2-CZ 4.19Å; F254-F259 HydrophobicContact CG-CE2 4.44Å; F254-F259 VanDerWaalsContact O-CB 3.22Å; F254-F259 WeakPolarHBondContact O-CB 3.28Å
255	E	96.5	Very high	95.1	Very high	40 Å²	40	65.1 Å²	65.1	19%	0.187	32%	0.322	C	S	.	.			trans	-79.6	66.5	-177.9	-57.3	-67.5	-158.4	0	0	111.2	P236 R249 V252 Y260	P236-E255 HydrophobicContact CG-CB 4.06Å; P236-E255 WeakPolarHBondContact CG-O 3.36Å; P236-E255 WeakPolarHBondContact O-CB 3.25Å; P236-E255 WeakPolarHBondContact O-CG 3.33Å; R249-E255 IonicContact CZ-OE1 3.13Å; R249-E255 IonicContact NE-OE1 3.99Å; R249-E255 IonicContact NH2-OE1 3.22Å; R249-E255 PolarHBondContact NH2-OE1 2.91Å; V252-E255 WeakPolarHBondContact CG2-OE2 3.33Å; E255-Y260 WeakPolarHBondContact CB-OH 3.31Å; E255-Y260 WeakPolarHBondContact OE2-CE1 3.23Å; E255-Y260 VanDerWaalsContact OE2-CZ 3.23Å; E255-Y260 PolarHBondContact OE2-OH 3.42Å
256	V	95.9	Very high	95.6	Very high	65 Å²	65	70 Å²	70	39%	0.394	33%	0.328	S	S	.	.	S	Bend	trans	-135.8	154.1	-176.3	-59.5	0	0	0	0	111.5	F254 T258 F259 Y260	F254-V256 HydrophobicContact CB-CG2 4.08Å; F254-V256 PolarHBondContact O-N 3.49Å; V256-T258 VanDerWaalsContact C-N 3.31Å; V256-T258 PolarHBondContact O-N 3.41Å; V256-T258 VanDerWaalsContact O-N 3.09Å; V256-F259 HydrophobicContact CG2-CB 4.3Å; V256-F259 HydrophobicContact CG2-CD2 3.65Å; V256-F259 HydrophobicContact CG2-CG 4.4Å; V256-F259 PolarHBondContact O-N 2.98Å; V256-Y260 PolarHBondContact O-N 3.17Å
257	R	96.8	Very high	95.9	Very high	25 Å²	25	66 Å²	66	9%	0.094	31%	0.314	C	S	.	.	H	α-helix	trans	-36.8	-56	-179.6	179.8	-165.1	174.7	-159.7	-1.2	113.5	D84 R146 E203 V204 D207 F259 Y260 V261	D84-R257 PolarHBondContact O-NH2 3.37Å; D84-R257 VanDerWaalsContact O-NH2 3.12Å; D84-R257 IonicContact OD1-NH1 3.59Å; D84-R257 PolarHBondContact OD1-NH1 2.81Å; D84-R257 IonicContact OD2-CZ 2.79Å; D84-R257 IonicContact OD2-NH1 2.81Å; D84-R257 PolarHBondContact OD2-NH1 3.48Å; D84-R257 IonicContact OD2-NH2 2.93Å; R146-R257 VanDerWaalsContact NH2-NH1 3.12Å; E203-R257 HydrophobicContact CB-CG 3.99Å; E203-R257 WeakPolarHBondContact OE2-CD 3.47Å; V204-R257 HydrophobicContact CG2-CB 4.4Å; V204-R257 HydrophobicContact CG2-CG 4.08Å; D207-R257 VanDerWaalsContact CG-NH2 3.29Å; D207-R257 IonicContact OD1-CZ 3.16Å; D207-R257 IonicContact OD1-NE 3.58Å; D207-R257 IonicContact OD1-NH2 2.77Å; D207-R257 PolarHBondContact OD1-NH2 2.85Å; D207-R257 IonicContact OD2-CZ 3.4Å; D207-R257 VanDerWaalsContact OD2-CZ 3.26Å; D207-R257 IonicContact OD2-NE 3.61Å; D207-R257 PolarHBondContact OD2-NE 2.93Å; D207-R257 IonicContact OD2-NH2 3.54Å; D207-R257 PolarHBondContact OD2-NH2 2.76Å; D207-R257 VanDerWaalsContact OD2-NH2 3.1Å; R257-F259 VanDerWaalsContact C-N 3.34Å; R257-F259 PolarHBondContact O-N 3.26Å; R257-Y260 PolarHBondContact O-N 2.77Å; R257-V261 HydrophobicContact CG-CG2 4.48Å; R257-V261 WeakPolarHBondContact O-CG2 3.27Å; R257-V261 PolarHBondContact O-N 3.32Å
258	T	96.1	Very high	95.8	Very high	103 Å²	103	68.3 Å²	68.3	63%	0.632	34%	0.335	S	S	*	.	H	α-helix	trans	-61.7	-38.6	-173.9	-50.8	0	0	0	0	113.2	V256 Y262	V256-T258 VanDerWaalsContact C-N 3.31Å; V256-T258 PolarHBondContact O-N 3.41Å; V256-T258 VanDerWaalsContact O-N 3.09Å; T258-Y262 VanDerWaalsContact O-CB 3.27Å; T258-Y262 WeakPolarHBondContact O-CB 3.4Å; T258-Y262 PolarHBondContact O-N 2.68Å
259	F	97.8	Very high	95.5	Very high	73 Å²	73	65.9 Å²	65.9	32%	0.32	33%	0.333	S	S	.	.	H	α-helix	trans	-74	-38.9	-178.7	-87.2	-94.6	0	0	0	111.6	V252 K253 F254 V256 R257 Y262 A263	V252-F259 HydrophobicContact CB-CB 4.09Å; V252-F259 HydrophobicContact CB-CD1 4.48Å; V252-F259 HydrophobicContact CG1-CB 4.34Å; V252-F259 HydrophobicContact CG2-CB 4.48Å; K253-F259 HydrophobicContact CB-CD1 4.16Å; K253-F259 HydrophobicContact CB-CE1 3.73Å; K253-F259 HydrophobicContact CB-CZ 4.42Å; F254-F259 HydrophobicContact CB-CD2 4.11Å; F254-F259 HydrophobicContact CB-CE2 4.31Å; F254-F259 HydrophobicContact CB-CG 4.44Å; F254-F259 HydrophobicContact CD2-CD2 4.24Å; F254-F259 HydrophobicContact CD2-CE1 4.19Å; F254-F259 AromaticContact CD2-CE2 3.61Å; F254-F259 HydrophobicContact CD2-CE2 3.61Å; F254-F259 AromaticContact CD2-CZ 3.58Å; F254-F259 HydrophobicContact CD2-CZ 3.58Å; F254-F259 HydrophobicContact CE2-CE2 4.46Å; F254-F259 HydrophobicContact CE2-CZ 4.19Å; F254-F259 HydrophobicContact CG-CE2 4.44Å; F254-F259 VanDerWaalsContact O-CB 3.22Å; F254-F259 WeakPolarHBondContact O-CB 3.28Å; V256-F259 HydrophobicContact CG2-CB 4.3Å; V256-F259 HydrophobicContact CG2-CD2 3.65Å; V256-F259 HydrophobicContact CG2-CG 4.4Å; V256-F259 PolarHBondContact O-N 2.98Å; R257-F259 VanDerWaalsContact C-N 3.34Å; R257-F259 PolarHBondContact O-N 3.26Å; F259-Y262 PolarHBondContact O-N 3.25Å; F259-A263 VanDerWaalsContact O-CB 3.32Å; F259-A263 WeakPolarHBondContact O-CB 3.44Å; F259-A263 PolarHBondContact O-N 3.45Å
260	Y	98.1	Very high	95.3	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.5	-51.7	171.8	-64.9	-33.9	0	0	0	111.7	I192 I200 V204 P236 S237 C238 L250 V252 E255 V256 R257 Y262 A263 L264	I192-Y260 HydrophobicContact CD1-CD2 4.28Å; I192-Y260 HydrophobicContact CG2-CE2 4.45Å; I200-Y260 HydrophobicContact CG2-CD2 3.59Å; I200-Y260 HydrophobicContact CG2-CE2 3.63Å; V204-Y260 HydrophobicContact CG2-CD2 4.18Å; P236-Y260 PolarHBondContact O-OH 3.31Å; S237-Y260 WeakPolarHBondContact CA-OH 3.45Å; S237-Y260 PolarHBondContact N-OH 2.84Å; C238-Y260 HydrophobicContact CB-CD1 3.57Å; C238-Y260 HydrophobicContact CB-CE1 3.3Å; C238-Y260 HydrophobicContact CB-CE2 4.38Å; C238-Y260 HydrophobicContact CB-CG 4.22Å; C238-Y260 PolarHBondContact N-OH 3.48Å; L250-Y260 HydrophobicContact CD2-CD1 4.28Å; V252-Y260 HydrophobicContact CG1-CD1 4.25Å; V252-Y260 HydrophobicContact CG2-CD1 4.07Å; V252-Y260 HydrophobicContact CG2-CE1 3.77Å; E255-Y260 WeakPolarHBondContact CB-OH 3.31Å; E255-Y260 WeakPolarHBondContact OE2-CE1 3.23Å; E255-Y260 VanDerWaalsContact OE2-CZ 3.23Å; E255-Y260 PolarHBondContact OE2-OH 3.42Å; V256-Y260 PolarHBondContact O-N 3.17Å; R257-Y260 PolarHBondContact O-N 2.77Å; Y260-Y262 VanDerWaalsContact C-N 3.33Å; Y260-Y262 PolarHBondContact O-N 3.48Å; Y260-A263 PolarHBondContact O-N 2.84Å; Y260-L264 VanDerWaalsContact O-CB 3.31Å; Y260-L264 WeakPolarHBondContact O-CB 3.38Å; Y260-L264 WeakPolarHBondContact O-CG 3.36Å; Y260-L264 PolarHBondContact O-N 2.93Å
261	V	96.4	Very high	95	Very high	17 Å²	17	64.8 Å²	64.8	10%	0.103	34%	0.338	C	S	.	.	H	α-helix	trans	-55.9	-49.1	177.9	173.6	0	0	0	0	110.9	V204 D207 R257 A263 L264 Q265	V204-V261 HydrophobicContact CB-CG2 4.4Å; V204-V261 HydrophobicContact CG1-CG2 4.09Å; V204-V261 HydrophobicContact CG2-CG2 4.11Å; D207-V261 HydrophobicContact CB-CG1 4.43Å; D207-V261 HydrophobicContact CB-CG2 3.72Å; D207-V261 WeakPolarHBondContact OD2-CG2 3.2Å; R257-V261 HydrophobicContact CG-CG2 4.48Å; R257-V261 WeakPolarHBondContact O-CG2 3.27Å; R257-V261 PolarHBondContact O-N 3.32Å; V261-A263 VanDerWaalsContact C-N 3.33Å; V261-A263 PolarHBondContact O-N 3.33Å; V261-L264 PolarHBondContact O-N 3.44Å; V261-Q265 HydrophobicContact CG1-CG 4.19Å; V261-Q265 WeakPolarHBondContact O-CB 3.5Å; V261-Q265 WeakPolarHBondContact O-CG 3.42Å; V261-Q265 PolarHBondContact O-N 2.85Å
262	Y	95.9	Very high	94.7	Very high	130 Å²	130	64.7 Å²	64.7	51%	0.51	32%	0.323	S	S	.	.	H	α-helix	trans	-60	-40.3	-179.3	177.4	-83.6	0	0	0	113.2	T258 F259 Y260 R266	T258-Y262 VanDerWaalsContact O-CB 3.27Å; T258-Y262 WeakPolarHBondContact O-CB 3.4Å; T258-Y262 PolarHBondContact O-N 2.68Å; F259-Y262 PolarHBondContact O-N 3.25Å; Y260-Y262 VanDerWaalsContact C-N 3.33Å; Y260-Y262 PolarHBondContact O-N 3.48Å; Y262-R266 PolarHBondContact O-NH1 3Å; Y262-R266 PolarHBondContact OH-NE 3.33Å; Y262-R266 PolarHBondContact OH-NH2 3Å
263	A	97.2	Very high	93.9	Very high	21 Å²	21	65.2 Å²	65.2	17%	0.174	33%	0.328	C	S	.	.	H	α-helix	trans	-74	-45.6	-179.2	0	0	0	0	0	111.4	L250 V252 F259 Y260 V261 Q265 R266	L250-A263 HydrophobicContact CD1-CB 4.08Å; L250-A263 HydrophobicContact CD2-CB 3.96Å; L250-A263 HydrophobicContact CG-CB 4.19Å; V252-A263 HydrophobicContact CG1-CB 3.86Å; F259-A263 VanDerWaalsContact O-CB 3.32Å; F259-A263 WeakPolarHBondContact O-CB 3.44Å; F259-A263 PolarHBondContact O-N 3.45Å; Y260-A263 PolarHBondContact O-N 2.84Å; V261-A263 VanDerWaalsContact C-N 3.33Å; V261-A263 PolarHBondContact O-N 3.33Å; A263-Q265 PolarHBondContact O-N 2.83Å; A263-R266 PolarHBondContact O-N 3.45Å; A263-R266 VanDerWaalsContact O-N 3.15Å
264	L	97	Very high	92.1	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-65.1	-38.7	179.7	-68.9	178.7	0	0	0	112.4	A190 V204 L208 I214 V216 L240 L250 Y260 V261 R266 L267	A190-L264 HydrophobicContact CB-CD1 3.93Å; A190-L264 HydrophobicContact CB-CD2 3.78Å; V204-L264 HydrophobicContact CG1-CD1 3.86Å; L208-L264 HydrophobicContact CD1-CB 3.68Å; L208-L264 HydrophobicContact CD1-CD1 3.55Å; L208-L264 HydrophobicContact CD1-CG 4.27Å; I214-L264 HydrophobicContact CD1-CB 3.72Å; I214-L264 HydrophobicContact CD1-CD1 4.34Å; I214-L264 HydrophobicContact CD1-CD2 3.98Å; I214-L264 HydrophobicContact CD1-CG 4.21Å; V216-L264 HydrophobicContact CG2-CD1 4.25Å; L240-L264 HydrophobicContact CD2-CD2 3.72Å; L250-L264 HydrophobicContact CD2-CD2 3.67Å; L250-L264 HydrophobicContact CD2-CG 3.89Å; Y260-L264 VanDerWaalsContact O-CB 3.31Å; Y260-L264 WeakPolarHBondContact O-CB 3.38Å; Y260-L264 WeakPolarHBondContact O-CG 3.36Å; Y260-L264 PolarHBondContact O-N 2.93Å; V261-L264 PolarHBondContact O-N 3.44Å; L264-R266 PolarHBondContact O-N 2.91Å; L264-R266 VanDerWaalsContact O-N 3.16Å; L264-L267 HydrophobicContact CD2-CD1 3.81Å; L264-L267 WeakPolarHBondContact O-CB 3.4Å; L264-L267 WeakPolarHBondContact O-CG 3.32Å; L264-L267 PolarHBondContact O-N 3.43Å
265	Q	95	Very high	89.6	Confident	66 Å²	66	65.1 Å²	65.1	31%	0.308	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.6	175.1	-73.9	176.7	-11	0	0	114	L208 F211 V261 A263	L208-Q265 HydrophobicContact CD2-CG 3.68Å; F211-Q265 HydrophobicContact CD1-CG 4.26Å; F211-Q265 HydrophobicContact CE1-CB 4.39Å; F211-Q265 HydrophobicContact CE1-CG 3.71Å; F211-Q265 HydrophobicContact CE2-CG 4.44Å; F211-Q265 HydrophobicContact CZ-CG 3.81Å; V261-Q265 HydrophobicContact CG1-CG 4.19Å; V261-Q265 WeakPolarHBondContact O-CB 3.5Å; V261-Q265 WeakPolarHBondContact O-CG 3.42Å; V261-Q265 PolarHBondContact O-N 2.85Å; A263-Q265 PolarHBondContact O-N 2.83Å
266	R	94	Very high	87.3	Confident	141 Å²	141	68 Å²	68	53%	0.532	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-3.8	-179.8	-77.9	179.2	171.5	67.6	6.4	113.9	Y262 A263 L264	Y262-R266 PolarHBondContact O-NH1 3Å; Y262-R266 PolarHBondContact OH-NE 3.33Å; Y262-R266 PolarHBondContact OH-NH2 3Å; A263-R266 PolarHBondContact O-N 3.45Å; A263-R266 VanDerWaalsContact O-N 3.15Å; L264-R266 PolarHBondContact O-N 2.91Å; L264-R266 VanDerWaalsContact O-N 3.16Å
267	L	95	Very high	84.7	Confident	26 Å²	26	68.7 Å²	68.7	14%	0.136	38%	0.377	C	S	.	.	S	Bend	trans	-62.5	142.3	179.6	-67.8	175.2	0	0	0	110.1	H188 I214 L240 L264 G269 V270	H188-L267 HydrophobicContact CB-CD1 4.28Å; I214-L267 HydrophobicContact CD1-CD1 4.3Å; L240-L267 HydrophobicContact CD1-CD1 3.9Å; L240-L267 HydrophobicContact CD1-CD2 3.81Å; L240-L267 HydrophobicContact CD2-CD1 3.76Å; L264-L267 HydrophobicContact CD2-CD1 3.81Å; L264-L267 WeakPolarHBondContact O-CB 3.4Å; L264-L267 WeakPolarHBondContact O-CG 3.32Å; L264-L267 PolarHBondContact O-N 3.43Å; L267-G269 PolarHBondContact O-N 3.29Å; L267-V270 HydrophobicContact CB-CB 4.43Å; L267-V270 HydrophobicContact CB-CG2 3.72Å; L267-V270 WeakPolarHBondContact O-CB 3.38Å; L267-V270 PolarHBondContact O-N 3.48Å
268	P	92.4	Very high	81.9	Confident	99 Å²	99	72.8 Å²	72.8	64%	0.643	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	130.1	179.6	-24.9	34	0	0	0	111.3	H188 V270	H188-P268 PolarHBondContact NE2-O 2.89Å; P268-V270 VanDerWaalsContact C-N 3.26Å; P268-V270 PolarHBondContact O-N 2.9Å
269	G	88.4	Confident	79.1	Confident	36 Å²	36	71.9 Å²	71.9	37%	0.371	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	-9.4	179.2	0	0	0	0	0	115.1	N213 L267 V271	N213-G269 WeakPolarHBondContact CB-O 3.42Å; N213-G269 PolarHBondContact ND2-O 2.99Å; L267-G269 PolarHBondContact O-N 3.29Å; G269-V271 PolarHBondContact O-N 3.25Å
270	V	91.9	Very high	76.2	Confident	13 Å²	13	76.9 Å²	76.9	8%	0.079	42%	0.423	C	S	.	.			trans	-75.2	113.7	172.2	179	0	0	0	0	108.8	F211 I214 L267 P268	F211-V270 HydrophobicContact CB-CG1 4.09Å; F211-V270 HydrophobicContact CD1-CG1 3.97Å; F211-V270 HydrophobicContact CG-CG1 4.44Å; I214-V270 HydrophobicContact CB-CG1 4.34Å; I214-V270 HydrophobicContact CB-CG2 3.91Å; I214-V270 HydrophobicContact CD1-CG2 4.37Å; I214-V270 HydrophobicContact CG2-CG1 3.81Å; I214-V270 HydrophobicContact CG2-CG2 4.3Å; L267-V270 HydrophobicContact CB-CB 4.43Å; L267-V270 HydrophobicContact CB-CG2 3.72Å; L267-V270 WeakPolarHBondContact O-CB 3.38Å; L267-V270 PolarHBondContact O-N 3.48Å; P268-V270 VanDerWaalsContact C-N 3.26Å; P268-V270 PolarHBondContact O-N 2.9Å
271	V	89.3	Confident	73.4	Confident	77 Å²	77	81 Å²	81	47%	0.467	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	149.6	-176.8	-66.1	0	0	0	0	109.7	F211 E212 G269	F211-V271 CarbonylContact C-O 3.57Å; F211-V271 WeakPolarHBondContact CA-O 3.38Å; E212-V271 HydrophobicContact CB-CG2 4.25Å; E212-V271 PolarHBondContact N-O 2.84Å; G269-V271 PolarHBondContact O-N 3.25Å
272	R	87.7	Confident	70.5	Confident	127 Å²	127	87.7 Å²	87.7	48%	0.479	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	127.4	175.2	-168.6	-177.9	-174.5	168.9	10.6	109.9	E87 Q210 F211 G274	E87-R272 IonicContact OE1-CZ 3.62Å; E87-R272 IonicContact OE1-NH1 2.91Å; E87-R272 IonicContact OE1-NH2 2.67Å; E87-R272 PolarHBondContact OE1-NH2 2.9Å; E87-R272 IonicContact OE2-CZ 3.26Å; E87-R272 VanDerWaalsContact OE2-CZ 3.23Å; E87-R272 IonicContact OE2-NE 3.35Å; E87-R272 IonicContact OE2-NH1 3.77Å; E87-R272 IonicContact OE2-NH2 3.84Å; E87-R272 PolarHBondContact OE2-NH2 3.37Å; Q210-R272 HydrophobicContact CB-CG 4.36Å; Q210-R272 CarbonylContact O-C 3.55Å; Q210-R272 WeakPolarHBondContact O-CA 3.21Å; F211-R272 HydrophobicContact CD1-CB 4.39Å; F211-R272 HydrophobicContact CE1-CB 4.18Å; R272-G274 PolarHBondContact O-N 3.06Å
273	S	79.3	Confident	67.8	Low	39 Å²	39	86.9 Å²	86.9	27%	0.273	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-60.5	122.9	169.4	-54.6	0	0	0	0	110.2	Q210 E212	Q210-S273 PolarHBondContact O-N 3.08Å; Q210-S273 PolarHBondContact O-OG 2.88Å; E212-S273 VanDerWaalsContact CD-OG 3.27Å; E212-S273 VanDerWaalsContact CG-OG 3.24Å; E212-S273 WeakPolarHBondContact CG-OG 3.35Å; E212-S273 WeakPolarHBondContact OE1-CA 3.5Å; E212-S273 WeakPolarHBondContact OE1-CB 3.42Å; E212-S273 PolarHBondContact OE1-OG 3.23Å
274	G	58.6	Low	65	Low	77 Å²	77	91.5 Å²	91.5	79%	0.794	50%	0.503	S	S	*	.	S	Bend	trans	-88.2	152.4	174.4	0	0	0	0	0	111.5	R272	R272-G274 PolarHBondContact O-N 3.06Å
275	K	43.1	Very low	62.3	Low	192 Å²	192	99.5 Å²	99.5	84%	0.835	54%	0.538	S	S	*	.			cis	-109.9	156.3	0.4	-70.2	169.9	175.5	175.8	0	108.7
276	P	46.5	Very low	59.5	Low	102 Å²	102	103.6 Å²	103.6	66%	0.662	56%	0.562	S	S	*	*			trans	-51.4	136.3	163.5	22.1	-30.7	0	0	0	108.7
277	P	41.9	Very low	57.1	Low	78 Å²	78	103.1 Å²	103.1	51%	0.506	56%	0.56	S	S	.	*			trans	-50.2	137.4	170.7	-19.7	28.6	0	0	0	107.8	V279	P277-V279 PolarHBondContact O-N 3.45Å
278	P	38.1	Very low	54.6	Low	111 Å²	111	108.2 Å²	108.2	72%	0.721	59%	0.593	S	S	*	*			trans	-54.3	114.7	172	22.3	-29.9	0	0	0	106.7	F280	P278-F280 PolarHBondContact O-N 3.39Å
279	V	37.8	Very low	52.7	Low	84 Å²	84	109.2 Å²	109.2	51%	0.509	59%	0.589	S	S	.	*			trans	-58.2	110.9	164.6	175.8	0	0	0	0	103.5	P277 T281	P277-V279 PolarHBondContact O-N 3.45Å; V279-T281 PolarHBondContact O-N 2.86Å; V279-T281 PolarHBondContact O-OG1 3.4Å
280	F	37.3	Very low	51.4	Low	179 Å²	179	111.1 Å²	111.1	79%	0.785	59%	0.588	S	S	*	*			trans	-59.5	90.9	172.1	-103.5	-91.4	0	0	0	106.7	P278 E282	P278-F280 PolarHBondContact O-N 3.39Å; F280-E282 PolarHBondContact O-N 2.83Å
281	T	38.4	Very low	50.3	Low	87 Å²	87	114.7 Å²	114.7	53%	0.534	61%	0.612	S	S	.	*			trans	-89.4	65	168.2	12.5	0	0	0	0	105.3	A36 V279 L283	A36-T281 HydrophobicContact CB-CG2 3.78Å; V279-T281 PolarHBondContact O-N 2.86Å; V279-T281 PolarHBondContact O-OG1 3.4Å; T281-L283 PolarHBondContact O-N 3.39Å
282	E	36.3	Very low	49.6	Very low	157 Å²	157	116.4 Å²	116.4	73%	0.734	61%	0.61	S	S	*	*			trans	-69.8	88.2	148.3	-84	-168.5	159.6	0	0	105.5	F280 L284	F280-E282 PolarHBondContact O-N 2.83Å; E282-L284 VanDerWaalsContact C-N 3.34Å; E282-L284 PolarHBondContact O-N 2.92Å
283	L	39	Very low	49	Very low	113 Å²	113	115 Å²	115	59%	0.592	61%	0.605	S	S	*	*			trans	-48.3	106.8	160.9	-79	157.3	0	0	0	106.3	T281 K285	T281-L283 PolarHBondContact O-N 3.39Å; L283-K285 HydrophobicContact CB-CG 4.25Å; L283-K285 PolarHBondContact O-N 2.84Å
284	L	38.1	Very low	48.9	Very low	117 Å²	117	120.2 Å²	120.2	61%	0.613	63%	0.63	S	S	*	*			trans	-61.8	73.3	156.3	-88.9	154.2	0	0	0	107.3	E282 N286	E282-L284 VanDerWaalsContact C-N 3.34Å; E282-L284 PolarHBondContact O-N 2.92Å; L284-N286 VanDerWaalsContact C-N 3.26Å; L284-N286 PolarHBondContact O-N 2.83Å
285	K	39.2	Very low	50.3	Low	168 Å²	168	118.5 Å²	118.5	73%	0.73	60%	0.6	S	S	*	*			trans	-70.7	92.4	160.7	-83.2	-178.9	179.3	177.3	0	105.7	L283	L283-K285 HydrophobicContact CB-CG 4.25Å; L283-K285 PolarHBondContact O-N 2.84Å
286	N	37.2	Very low	52.5	Low	152 Å²	152	113 Å²	113	81%	0.813	58%	0.58	S	S	*	*			trans	168.2	85.7	132.6	-83.4	-17.9	0	0	0	109.8	L284	L284-N286 VanDerWaalsContact C-N 3.26Å; L284-N286 PolarHBondContact O-N 2.83Å
287	R	43.8	Very low	54.4	Low	131 Å²	131	111.8 Å²	111.8	49%	0.494	57%	0.574	S	S	.	*			trans	-136.5	106.7	144.3	-74.1	-169.3	178.7	-156	-0.1	107.5	E103 E289	E103-R287 IonicContact OE1-CZ 3.27Å; E103-R287 IonicContact OE1-NE 2.71Å; E103-R287 IonicContact OE1-NH2 3.9Å; E103-R287 PolarHBondContact OE1-NH2 3.25Å; E103-R287 IonicContact OE2-CZ 2.78Å; E103-R287 IonicContact OE2-NE 3.52Å; E103-R287 IonicContact OE2-NH2 3.5Å; E103-R287 PolarHBondContact OE2-NH2 2.82Å; R287-E289 PolarHBondContact O-N 2.8Å
288	T	41.3	Very low	56.6	Low	133 Å²	133	110.5 Å²	110.5	82%	0.816	57%	0.567	S	S	*	*			trans	-58.6	122.2	168.9	40.6	0	0	0	0	108.3	E290	T288-E290 PolarHBondContact O-N 3.39Å
289	E	53.9	Low	59.1	Low	121 Å²	121	109.2 Å²	109.2	57%	0.565	55%	0.548	S	S	*	.			trans	-45.6	126.1	165.2	-71.2	178.3	172.9	0	0	108.9	A29 R287 P291	A29-E289 WeakPolarHBondContact CB-OE1 3.18Å; R287-E289 PolarHBondContact O-N 2.8Å; E289-P291 WeakPolarHBondContact O-CD 3.49Å; E289-P291 VanDerWaalsContact O-N 3.14Å
290	E	60.4	Low	61.8	Low	76 Å²	76	105.6 Å²	105.6	36%	0.355	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-63.7	116.1	169.7	-73.6	-175.6	120.6	0	0	107.1	T288 W292 R405	T288-E290 PolarHBondContact O-N 3.39Å; E290-W292 PolarHBondContact O-N 2.8Å; E290-R405 IonicContact OE2-CZ 3.04Å; E290-R405 IonicContact OE2-NH1 2.75Å; E290-R405 PolarHBondContact OE2-NH1 2.69Å; E290-R405 IonicContact OE2-NH2 3.97Å; E290-R405 PolarHBondContact OE2-NH2 3.28Å
291	P	69.5	Low	64.6	Low	88 Å²	88	97.3 Å²	97.3	57%	0.571	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-59.3	140.3	-177.1	21.5	-31	0	0	0	109.9	E289 R293 Q397	E289-P291 WeakPolarHBondContact O-CD 3.49Å; E289-P291 VanDerWaalsContact O-N 3.14Å; P291-R293 PolarHBondContact O-N 3.5Å; P291-Q397 PolarHBondContact O-NE2 2.81Å
292	W	74.8	Confident	67.2	Low	113 Å²	113	93.9 Å²	93.9	43%	0.428	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-53.2	139.1	175.1	178.5	-99.9	0	0	0	110.9	E290 D294 F295 Q397 G398 F495	E290-W292 PolarHBondContact O-N 2.8Å; W292-D294 PolarHBondContact NE1-OD1 3.16Å; W292-F295 HydrophobicContact CH2-CE1 4.23Å; W292-Q397 HydrophobicContact CZ3-CG 4.41Å; W292-G398 WeakPolarHBondContact CZ3-O 3.32Å; W292-F495 AromaticContact CH2-CE2 3.63Å; W292-F495 HydrophobicContact CH2-CE2 3.63Å; W292-F495 AromaticContact CH2-CZ 3.69Å; W292-F495 HydrophobicContact CH2-CZ 3.69Å; W292-F495 HydrophobicContact CZ2-CZ 4.39Å; W292-F495 HydrophobicContact CZ3-CE2 4.31Å
293	R	74.9	Confident	69.9	Low	97 Å²	97	86.9 Å²	86.9	37%	0.366	44%	0.437	S	S	.	.			trans	-130.6	123.4	177.5	-66	178	-176.9	160.8	2.5	109.6	P291 F295 R392	P291-R293 PolarHBondContact O-N 3.5Å; R293-F295 PolarHBondContact O-N 3.38Å; R293-R392 VanDerWaalsContact NH1-NH2 3.18Å
294	D	77.6	Confident	72.6	Confident	149 Å²	149	81.7 Å²	81.7	80%	0.797	41%	0.409	S	S	*	.			trans	-63.8	135.8	171.2	-62.2	-33.6	0	0	0	110.2	W292	W292-D294 PolarHBondContact NE1-OD1 3.16Å
295	F	87	Confident	75.4	Confident	40 Å²	40	76.1 Å²	76.1	18%	0.175	38%	0.38	C	S	.	.			trans	-140.1	161.4	178.5	68.9	-93.6	0	0	0	110.7	W292 R293 S297 Y301 V394 G395 F495	W292-F295 HydrophobicContact CH2-CE1 4.23Å; R293-F295 PolarHBondContact O-N 3.38Å; F295-S297 PolarHBondContact O-N 2.86Å; F295-Y301 HydrophobicContact CB-CE2 4.08Å; F295-Y301 HydrophobicContact CD2-CE2 4.14Å; F295-V394 HydrophobicContact CB-CG1 4.06Å; F295-V394 VanDerWaalsContact CD1-O 3.22Å; F295-V394 WeakPolarHBondContact CD1-O 3.47Å; F295-V394 WeakPolarHBondContact CE1-O 3.27Å; F295-G395 WeakPolarHBondContact CE2-O 3.5Å; F295-G395 VanDerWaalsContact CZ-O 3.26Å; F295-G395 WeakPolarHBondContact CZ-O 3.39Å; F295-F495 HydrophobicContact CE1-CE1 4.27Å; F295-F495 AromaticContact CE1-CZ 3.79Å; F295-F495 HydrophobicContact CE1-CZ 3.79Å; F295-F495 HydrophobicContact CE2-CE1 4.47Å; F295-F495 AromaticContact CZ-CE1 3.58Å; F295-F495 HydrophobicContact CZ-CE1 3.58Å; F295-F495 AromaticContact CZ-CZ 3.57Å; F295-F495 HydrophobicContact CZ-CZ 3.57Å
296	N	88.4	Confident	78	Confident	77 Å²	77	68.8 Å²	68.8	41%	0.412	35%	0.349	S	S	.	.			trans	-86.1	107.3	177.5	-174.1	-26.7	0	0	0	109.4	S298 R299 Y301	N296-S298 PolarHBondContact O-N 2.81Å; N296-S298 WeakPolarHBondContact OD1-CA 3.41Å; N296-S298 VanDerWaalsContact OD1-CB 3.29Å; N296-S298 WeakPolarHBondContact OD1-CB 3.48Å; N296-S298 PolarHBondContact OD1-N 2.61Å; N296-R299 HydrophobicContact CB-CB 4.4Å; N296-R299 HydrophobicContact CB-CG 4.11Å; N296-R299 PolarHBondContact O-N 3.34Å; N296-R299 VanDerWaalsContact O-N 3.14Å; N296-Y301 PolarHBondContact N-OH 3.3Å
297	S	86.6	Confident	80.7	Confident	76 Å²	76	61.6 Å²	61.6	53%	0.531	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-14	179.8	59.2	0	0	0	0	114.4	F295 R299	F295-S297 PolarHBondContact O-N 2.86Å; S297-R299 PolarHBondContact O-N 3.08Å
298	S	88.2	Confident	83.2	Confident	52 Å²	52	55.4 Å²	55.4	36%	0.364	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	8.4	174.9	-56.9	0	0	0	0	113.1	N296	N296-S298 PolarHBondContact O-N 2.81Å; N296-S298 WeakPolarHBondContact OD1-CA 3.41Å; N296-S298 VanDerWaalsContact OD1-CB 3.29Å; N296-S298 WeakPolarHBondContact OD1-CB 3.48Å; N296-S298 PolarHBondContact OD1-N 2.61Å
299	R	91.2	Very high	85.8	Confident	83 Å²	83	49 Å²	49	31%	0.313	25%	0.248	S	C	.	.	S	Bend	trans	-132.3	149.1	-174.8	-62	-67.5	-176.2	162.3	-1	111.5	N296 S297 Y301 L539	N296-R299 HydrophobicContact CB-CB 4.4Å; N296-R299 HydrophobicContact CB-CG 4.11Å; N296-R299 PolarHBondContact O-N 3.34Å; N296-R299 VanDerWaalsContact O-N 3.14Å; S297-R299 PolarHBondContact O-N 3.08Å; R299-Y301 HydrophobicContact CB-CE2 4.38Å; R299-L539 HydrophobicContact CB-CD1 3.83Å; R299-L539 HydrophobicContact CB-CG 4.26Å; R299-L539 HydrophobicContact CG-CD1 3.94Å; R299-L539 HydrophobicContact CG-CG 4.47Å
300	V	94.9	Very high	87.7	Confident	8 Å²	8	43.4 Å²	43.4	5%	0.048	22%	0.222	C	C	.	.			trans	-95.2	141	169.8	176.6	0	0	0	0	109.1	L305 T412 V416 F533 I538 L539	V300-L305 HydrophobicContact CG1-CD1 4.06Å; V300-L305 HydrophobicContact CG1-CD2 4.43Å; V300-L305 HydrophobicContact CG1-CG 4.17Å; V300-T412 HydrophobicContact CB-CG2 4.46Å; V300-T412 HydrophobicContact CG1-CG2 3.67Å; V300-T412 HydrophobicContact CG2-CG2 4Å; V300-V416 HydrophobicContact CG1-CG2 4.36Å; V300-F533 HydrophobicContact CG2-CD1 3.85Å; V300-F533 HydrophobicContact CG2-CE1 4.09Å; V300-I538 HydrophobicContact CB-CG1 4.3Å; V300-I538 HydrophobicContact CG1-CG1 4.23Å; V300-I538 HydrophobicContact CG1-CG2 4.45Å; V300-I538 CarbonylContact O-C 3.14Å; V300-I538 WeakPolarHBondContact O-CA 3.29Å; V300-L539 PolarHBondContact O-N 3.39Å
301	Y	94.9	Very high	89.3	Confident	6 Å²	6	40.1 Å²	40.1	2%	0.024	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-111	136.4	178.1	-64.2	-95.7	0	0	0	111.1	F295 N296 R299 A303 D304 L305 V394 L539 L544	F295-Y301 HydrophobicContact CB-CE2 4.08Å; F295-Y301 HydrophobicContact CD2-CE2 4.14Å; N296-Y301 PolarHBondContact N-OH 3.3Å; R299-Y301 HydrophobicContact CB-CE2 4.38Å; Y301-A303 PolarHBondContact O-N 3.26Å; Y301-D304 WeakPolarHBondContact CB-OD2 3.46Å; Y301-D304 PolarHBondContact O-N 3.03Å; Y301-D304 VanDerWaalsContact O-N 3.13Å; Y301-L305 PolarHBondContact O-N 3.37Å; Y301-V394 HydrophobicContact CD1-CB 4.33Å; Y301-V394 HydrophobicContact CD1-CG1 3.74Å; Y301-V394 HydrophobicContact CD2-CB 4.38Å; Y301-V394 HydrophobicContact CD2-CG1 4.02Å; Y301-V394 HydrophobicContact CE1-CG1 3.87Å; Y301-V394 HydrophobicContact CE2-CG1 4.16Å; Y301-V394 HydrophobicContact CG-CB 4.05Å; Y301-V394 HydrophobicContact CG-CG1 3.81Å; Y301-L539 WeakPolarHBondContact CA-O 3.49Å; Y301-L539 HydrophobicContact CD1-CB 3.77Å; Y301-L539 HydrophobicContact CD1-CD1 4.32Å; Y301-L539 HydrophobicContact CE1-CB 3.92Å; Y301-L539 HydrophobicContact CE1-CD1 3.64Å; Y301-L539 HydrophobicContact CE1-CG 4.4Å; Y301-L544 HydrophobicContact CE1-CD1 4.03Å
302	M	94.4	Very high	90.5	Very high	14 Å²	14	36 Å²	36	7%	0.069	18%	0.179	C	C	.	.	H	α-helix	trans	-60.9	-29.8	176.2	-172.2	54.9	69.8	0	0	112	D304 L305 E306 F342 P343 I538 L539 T540	M302-D304 VanDerWaalsContact C-N 3.32Å; M302-D304 PolarHBondContact O-N 2.77Å; M302-L305 PolarHBondContact O-N 3.1Å; M302-L305 HydrophobicContact SD-CB 4.2Å; M302-L305 HydrophobicContact SD-CD1 4.3Å; M302-E306 HydrophobicContact CG-CG 4.02Å; M302-E306 WeakPolarHBondContact O-CB 3.22Å; M302-E306 WeakPolarHBondContact O-CG 3.46Å; M302-E306 PolarHBondContact O-N 3.07Å; M302-E306 HydrophobicContact SD-CG 4.02Å; M302-F342 HydrophobicContact SD-CE1 4.43Å; M302-F342 HydrophobicContact SD-CZ 4.16Å; M302-P343 WeakPolarHBondContact CE-O 3.09Å; M302-I538 HydrophobicContact CB-CG2 4.02Å; M302-I538 HydrophobicContact CE-CG2 3.85Å; M302-L539 PolarHBondContact N-O 3.31Å; M302-T540 HydrophobicContact CB-CG2 4.13Å
303	A	92.4	Very high	91.5	Very high	11 Å²	11	30.6 Å²	30.6	9%	0.091	16%	0.159	C	C	.	.	H	α-helix	trans	-60.4	-40.4	176.4	0	0	0	0	0	112.3	Y301 S307 R392 V394 V541	Y301-A303 PolarHBondContact O-N 3.26Å; A303-S307 WeakPolarHBondContact O-CB 3.05Å; A303-S307 PolarHBondContact O-N 3.49Å; A303-S307 PolarHBondContact O-OG 3.15Å; A303-R392 CarbonylContact C-O 3.59Å; A303-V394 HydrophobicContact CB-CG2 3.86Å; A303-V541 HydrophobicContact CB-CG2 3.88Å
304	D	95.1	Very high	92.2	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.016	15%	0.151	C	C	.	.	H	α-helix	trans	-68.4	-39.8	177.2	-61.6	-54.8	0	0	0	111.1	Y301 M302 S307 A308 W393 V394 G395 C396	Y301-D304 WeakPolarHBondContact CB-OD2 3.46Å; Y301-D304 PolarHBondContact O-N 3.03Å; Y301-D304 VanDerWaalsContact O-N 3.13Å; M302-D304 VanDerWaalsContact C-N 3.32Å; M302-D304 PolarHBondContact O-N 2.77Å; D304-S307 PolarHBondContact O-N 2.86Å; D304-A308 WeakPolarHBondContact O-CB 3.44Å; D304-A308 PolarHBondContact O-N 2.93Å; D304-W393 HydrophobicContact CB-CE3 4.29Å; D304-W393 HydrophobicContact CB-CZ3 4.47Å; D304-W393 WeakPolarHBondContact O-CZ3 3.34Å; D304-W393 WeakPolarHBondContact OD1-CA 3.36Å; D304-V394 PolarHBondContact OD1-N 3.28Å; D304-G395 PolarHBondContact OD1-N 3.03Å; D304-G395 VanDerWaalsContact OD2-CA 3.26Å; D304-G395 WeakPolarHBondContact OD2-CA 3.46Å; D304-G395 PolarHBondContact OD2-N 2.84Å; D304-C396 HydrophobicContact CB-CB 4.48Å; D304-C396 WeakPolarHBondContact OD1-CB 3.34Å; D304-C396 PolarHBondContact OD1-N 3.5Å; D304-C396 VanDerWaalsContact OD1-N 3.15Å; D304-C396 PolarHBondContact OD2-N 3.15Å
305	L	96.7	Very high	92.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-67.1	-47.4	178.7	-65.4	-178.6	0	0	0	112.3	V300 Y301 M302 S307 A308 L309 F342 T412 L413 V416 I538	V300-L305 HydrophobicContact CG1-CD1 4.06Å; V300-L305 HydrophobicContact CG1-CD2 4.43Å; V300-L305 HydrophobicContact CG1-CG 4.17Å; Y301-L305 PolarHBondContact O-N 3.37Å; M302-L305 PolarHBondContact O-N 3.1Å; M302-L305 HydrophobicContact SD-CB 4.2Å; M302-L305 HydrophobicContact SD-CD1 4.3Å; L305-S307 VanDerWaalsContact C-N 3.32Å; L305-S307 PolarHBondContact O-N 2.87Å; L305-A308 PolarHBondContact O-N 2.98Å; L305-L309 WeakPolarHBondContact O-CG 3.02Å; L305-L309 PolarHBondContact O-N 3.46Å; L305-F342 HydrophobicContact CB-CE2 3.91Å; L305-F342 HydrophobicContact CB-CZ 3.94Å; L305-T412 HydrophobicContact CD2-CG2 4.06Å; L305-L413 HydrophobicContact CD2-CB 4.22Å; L305-L413 HydrophobicContact CD2-CD1 4.38Å; L305-V416 HydrophobicContact CD1-CG2 4.44Å; L305-V416 HydrophobicContact CD2-CG2 4.38Å; L305-I538 HydrophobicContact CD1-CD1 3.87Å; L305-I538 HydrophobicContact CD1-CG2 4.36Å
306	E	94.7	Very high	93.3	Very high	15 Å²	15	19.8 Å²	19.8	7%	0.07	11%	0.106	C	C	.	.	H	α-helix	trans	-66.6	-33.8	176.3	-70.7	-178.6	-179.8	0	0	111.6	M302 L309 H310 R345 V348	M302-E306 HydrophobicContact CG-CG 4.02Å; M302-E306 WeakPolarHBondContact O-CB 3.22Å; M302-E306 WeakPolarHBondContact O-CG 3.46Å; M302-E306 PolarHBondContact O-N 3.07Å; M302-E306 HydrophobicContact SD-CG 4.02Å; E306-L309 PolarHBondContact O-N 3.16Å; E306-H310 WeakPolarHBondContact O-CB 3.32Å; E306-H310 PolarHBondContact O-N 2.6Å; E306-R345 IonicContact OE1-CZ 3.6Å; E306-R345 IonicContact OE1-NE 3.78Å; E306-R345 PolarHBondContact OE1-NE 2.86Å; E306-R345 IonicContact OE1-NH2 2.68Å; E306-R345 PolarHBondContact OE1-NH2 3.25Å; E306-R345 VanDerWaalsContact OE1-NH2 3.16Å; E306-R345 IonicContact OE2-CZ 3.2Å; E306-R345 IonicContact OE2-NE 3.91Å; E306-R345 IonicContact OE2-NH2 2.98Å; E306-R345 PolarHBondContact OE2-NH2 3.48Å; E306-V348 HydrophobicContact CG-CG2 4.48Å
307	S	93.9	Very high	93.5	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.007	9%	0.086	C	C	.	.	H	α-helix	trans	-68.2	-39.9	173	-61.5	0	0	0	0	112.2	A303 D304 L305 L309 H310 Y311 R392	A303-S307 WeakPolarHBondContact O-CB 3.05Å; A303-S307 PolarHBondContact O-N 3.49Å; A303-S307 PolarHBondContact O-OG 3.15Å; D304-S307 PolarHBondContact O-N 2.86Å; L305-S307 VanDerWaalsContact C-N 3.32Å; L305-S307 PolarHBondContact O-N 2.87Å; S307-L309 VanDerWaalsContact C-N 3.34Å; S307-H310 PolarHBondContact O-N 2.9Å; S307-Y311 VanDerWaalsContact O-CB 3.29Å; S307-Y311 WeakPolarHBondContact O-CB 3.23Å; S307-Y311 PolarHBondContact O-N 3.42Å; S307-R392 PolarHBondContact OG-N 2.95Å; S307-R392 PolarHBondContact OG-O 3.33Å; S307-R392 VanDerWaalsContact OG-O 3.08Å
308	A	96.6	Very high	93.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-63.3	-41.1	173.5	0	0	0	0	0	111.2	D304 L305 S312 W393	D304-A308 WeakPolarHBondContact O-CB 3.44Å; D304-A308 PolarHBondContact O-N 2.93Å; L305-A308 PolarHBondContact O-N 2.98Å; A308-S312 WeakPolarHBondContact O-CB 3.3Å; A308-S312 PolarHBondContact O-N 2.66Å; A308-S312 PolarHBondContact O-OG 2.94Å; A308-W393 HydrophobicContact CB-CH2 4.41Å
309	L	95.5	Very high	93.9	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-61.4	-54	172.4	-73.3	-174.2	0	0	0	111.6	L305 E306 S307 Y311 S312 L313 L338 F342 V348 L352 L387 L413	L305-L309 WeakPolarHBondContact O-CG 3.02Å; L305-L309 PolarHBondContact O-N 3.46Å; E306-L309 PolarHBondContact O-N 3.16Å; S307-L309 VanDerWaalsContact C-N 3.34Å; L309-Y311 VanDerWaalsContact C-N 3.33Å; L309-Y311 PolarHBondContact O-N 3.43Å; L309-S312 PolarHBondContact O-N 2.95Å; L309-S312 PolarHBondContact O-OG 2.95Å; L309-L313 WeakPolarHBondContact O-CB 3.35Å; L309-L313 VanDerWaalsContact O-CG 3.28Å; L309-L313 WeakPolarHBondContact O-CG 3.49Å; L309-L313 PolarHBondContact O-N 2.79Å; L309-L338 HydrophobicContact CD2-CD1 3.49Å; L309-L338 VanDerWaalsContact CD2-CD1 3.49Å; L309-L338 HydrophobicContact CD2-CD2 3.69Å; L309-L338 HydrophobicContact CD2-CG 4.21Å; L309-F342 HydrophobicContact CD1-CD1 3.96Å; L309-F342 HydrophobicContact CD1-CD2 4.02Å; L309-F342 HydrophobicContact CD1-CE1 3.54Å; L309-F342 HydrophobicContact CD1-CE2 3.58Å; L309-F342 HydrophobicContact CD1-CG 4.2Å; L309-F342 HydrophobicContact CD1-CZ 3.34Å; L309-F342 HydrophobicContact CD2-CE2 4.47Å; L309-F342 HydrophobicContact CG-CD2 4.49Å; L309-F342 HydrophobicContact CG-CE2 3.94Å; L309-F342 HydrophobicContact CG-CZ 4.07Å; L309-V348 HydrophobicContact CD1-CG1 4.12Å; L309-L352 HydrophobicContact CD1-CD1 4.31Å; L309-L387 HydrophobicContact CB-CD2 4.07Å; L309-L387 HydrophobicContact CD1-CD2 4.42Å; L309-L413 HydrophobicContact CD2-CD2 4.27Å
310	H	93.4	Very high	93.9	Very high	3 Å²	3	9.3 Å²	9.3	1%	0.014	4%	0.041	C	C	.	.	H	α-helix	trans	-49.4	-55.3	177.2	175	108.2	0	0	0	110.9	E306 S307 S312 L313 R314 P388 E389	E306-H310 WeakPolarHBondContact O-CB 3.32Å; E306-H310 PolarHBondContact O-N 2.6Å; S307-H310 PolarHBondContact O-N 2.9Å; H310-S312 PolarHBondContact O-N 3.08Å; H310-L313 PolarHBondContact O-N 2.94Å; H310-R314 VanDerWaalsContact CE1-CD 3.42Å; H310-R314 WeakPolarHBondContact CE1-CD 3.41Å; H310-R314 PolarHBondContact CE1-NH1 3.32Å; H310-R314 VanDerWaalsContact O-CB 3.31Å; H310-R314 WeakPolarHBondContact O-CB 3.3Å; H310-R314 PolarHBondContact O-N 3.05Å; H310-P388 PolarHBondContact CE1-O 2.92Å; H310-P388 VanDerWaalsContact CE1-O 3.23Å; H310-P388 PolarHBondContact ND1-O 3.4Å; H310-E389 PolarHBondContact CE1-O 2.93Å; H310-E389 VanDerWaalsContact CE1-O 3.26Å
311	Y	94.4	Very high	93.7	Very high	7 Å²	7	11.9 Å²	11.9	3%	0.027	6%	0.06	C	C	.	.	H	α-helix	trans	-65.4	-41.7	-176.4	-164.4	-78.9	0	0	0	111.6	W67 A100 S307 L309 L313 V315 E316 V391 Y406	W67-Y311 AromaticContact CZ2-CE1 3.98Å; W67-Y311 HydrophobicContact CZ2-CE1 3.98Å; W67-Y311 AromaticContact NE1-CE1 3.88Å; W67-Y311 AromaticContact NE1-CZ 3.35Å; W67-Y311 VanDerWaalsContact NE1-CZ 3.35Å; W67-Y311 PolarHBondContact NE1-OH 3.06Å; A100-Y311 WeakPolarHBondContact CA-OH 3.31Å; S307-Y311 VanDerWaalsContact O-CB 3.29Å; S307-Y311 WeakPolarHBondContact O-CB 3.23Å; S307-Y311 PolarHBondContact O-N 3.42Å; L309-Y311 VanDerWaalsContact C-N 3.33Å; L309-Y311 PolarHBondContact O-N 3.43Å; Y311-L313 VanDerWaalsContact C-N 3.31Å; Y311-L313 PolarHBondContact O-N 2.89Å; Y311-V315 HydrophobicContact CD1-CB 3.94Å; Y311-V315 HydrophobicContact CD1-CG1 4.36Å; Y311-V315 HydrophobicContact CD1-CG2 4.46Å; Y311-V315 HydrophobicContact CD2-CB 4.12Å; Y311-V315 HydrophobicContact CD2-CG2 3.79Å; Y311-V315 HydrophobicContact CE1-CB 3.79Å; Y311-V315 HydrophobicContact CE1-CG1 3.7Å; Y311-V315 HydrophobicContact CE2-CB 3.99Å; Y311-V315 HydrophobicContact CE2-CG1 3.9Å; Y311-V315 HydrophobicContact CE2-CG2 3.85Å; Y311-V315 HydrophobicContact CG-CB 4.1Å; Y311-V315 HydrophobicContact CG-CG2 4.12Å; Y311-V315 VanDerWaalsContact CZ-CG1 3.41Å; Y311-V315 WeakPolarHBondContact O-CA 3.49Å; Y311-V315 WeakPolarHBondContact O-CB 3.47Å; Y311-V315 PolarHBondContact O-N 3.1Å; Y311-V315 WeakPolarHBondContact OH-CG1 3.3Å; Y311-E316 HydrophobicContact CD1-CG 3.89Å; Y311-E316 HydrophobicContact CE1-CG 3.86Å; Y311-E316 PolarHBondContact O-N 3.19Å; Y311-E316 VanDerWaalsContact O-N 3.09Å; Y311-V391 HydrophobicContact CD2-CG1 3.92Å; Y311-V391 HydrophobicContact CG-CG1 4.46Å; Y311-Y406 AromaticContact CD1-CD1 3.5Å; Y311-Y406 HydrophobicContact CD1-CD1 3.5Å; Y311-Y406 VanDerWaalsContact CD1-CD1 3.5Å; Y311-Y406 AromaticContact CD1-CD2 3.34Å; Y311-Y406 HydrophobicContact CD1-CD2 3.34Å; Y311-Y406 AromaticContact CD1-CE1 3.57Å; Y311-Y406 HydrophobicContact CD1-CE1 3.57Å; Y311-Y406 AromaticContact CD1-CE2 3.44Å; Y311-Y406 HydrophobicContact CD1-CE2 3.44Å; Y311-Y406 VanDerWaalsContact CD1-CE2 3.44Å; Y311-Y406 AromaticContact CD1-CG 3.38Å; Y311-Y406 HydrophobicContact CD1-CG 3.38Å; Y311-Y406 AromaticContact CD1-CZ 3.55Å; Y311-Y406 AromaticContact CE1-CD1 3.53Å; Y311-Y406 HydrophobicContact CE1-CD1 3.53Å; Y311-Y406 HydrophobicContact CE1-CD2 4.19Å; Y311-Y406 AromaticContact CE1-CE1 3.79Å; Y311-Y406 HydrophobicContact CE1-CE1 3.79Å; Y311-Y406 HydrophobicContact CE1-CE2 4.43Å; Y311-Y406 AromaticContact CE1-CG 3.75Å; Y311-Y406 HydrophobicContact CE1-CG 3.75Å; Y311-Y406 HydrophobicContact CG-CD1 4.44Å; Y311-Y406 AromaticContact CG-CD2 3.59Å; Y311-Y406 HydrophobicContact CG-CD2 3.59Å; Y311-Y406 AromaticContact CG-CE2 3.91Å; Y311-Y406 HydrophobicContact CG-CE2 3.91Å; Y311-Y406 AromaticContact CG-CG 3.89Å; Y311-Y406 HydrophobicContact CG-CG 3.89Å
312	S	95.7	Very high	93.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.078	C	C	.	.	I	π-helix	trans	-60.3	-41.2	176.9	73.7	0	0	0	0	112	A308 L309 H310 L317 Y334 Y406 Y439	A308-S312 WeakPolarHBondContact O-CB 3.3Å; A308-S312 PolarHBondContact O-N 2.66Å; A308-S312 PolarHBondContact O-OG 2.94Å; L309-S312 PolarHBondContact O-N 2.95Å; L309-S312 PolarHBondContact O-OG 2.95Å; H310-S312 PolarHBondContact O-N 3.08Å; S312-L317 WeakPolarHBondContact O-CG 3.23Å; S312-L317 PolarHBondContact O-N 3.31Å; S312-Y334 WeakPolarHBondContact CB-OH 3.27Å; S312-Y334 PolarHBondContact OG-OH 3.38Å; S312-Y406 WeakPolarHBondContact CA-OH 3.31Å; S312-Y406 WeakPolarHBondContact CB-OH 3.48Å; S312-Y439 WeakPolarHBondContact CB-OH 3.16Å
313	L	94	Very high	93.7	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	8%	0.075	C	C	.	.	I	π-helix	trans	-86	-32.5	-174.3	-61.2	-175.3	0	0	0	113.4	L309 H310 Y311 L317 Y334 I335 F372 L387	L309-L313 WeakPolarHBondContact O-CB 3.35Å; L309-L313 VanDerWaalsContact O-CG 3.28Å; L309-L313 WeakPolarHBondContact O-CG 3.49Å; L309-L313 PolarHBondContact O-N 2.79Å; H310-L313 PolarHBondContact O-N 2.94Å; Y311-L313 VanDerWaalsContact C-N 3.31Å; Y311-L313 PolarHBondContact O-N 2.89Å; L313-L317 HydrophobicContact CD2-CD1 3.99Å; L313-Y334 HydrophobicContact CD2-CE1 4.23Å; L313-I335 HydrophobicContact CD2-CD1 3.69Å; L313-F372 HydrophobicContact CB-CE1 4.34Å; L313-F372 HydrophobicContact CD2-CE1 4.32Å; L313-F372 HydrophobicContact CD2-CZ 4.04Å; L313-L387 HydrophobicContact CD1-CD1 4.11Å
314	R	90.9	Very high	93.8	Very high	57 Å²	57	17.7 Å²	17.7	22%	0.215	9%	0.092	C	C	.	.	I	π-helix	trans	-100.7	-28.5	-174.7	-70	-177.2	169.8	-172.8	1.2	113.9	H310 A318 Y369 D377	H310-R314 VanDerWaalsContact CE1-CD 3.42Å; H310-R314 WeakPolarHBondContact CE1-CD 3.41Å; H310-R314 PolarHBondContact CE1-NH1 3.32Å; H310-R314 VanDerWaalsContact O-CB 3.31Å; H310-R314 WeakPolarHBondContact O-CB 3.3Å; H310-R314 PolarHBondContact O-N 3.05Å; R314-A318 WeakPolarHBondContact O-CB 3.23Å; R314-Y369 PolarHBondContact O-OH 2.97Å; R314-D377 IonicContact CZ-OD1 3.69Å; R314-D377 IonicContact NE-OD1 3.67Å; R314-D377 IonicContact NH2-OD1 2.7Å; R314-D377 PolarHBondContact NH2-OD1 3.34Å
315	V	91.8	Very high	93.7	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	12%	0.115	C	C	.	.	I	π-helix	trans	-107	-55.8	-176	-176.6	0	0	0	0	111.2	D102 V105 Y311 A318	D102-V315 WeakPolarHBondContact OD1-CG2 3.47Å; V105-V315 HydrophobicContact CG2-CB 4.34Å; V105-V315 HydrophobicContact CG2-CG1 3.72Å; V105-V315 HydrophobicContact CG2-CG2 4.13Å; Y311-V315 HydrophobicContact CD1-CB 3.94Å; Y311-V315 HydrophobicContact CD1-CG1 4.36Å; Y311-V315 HydrophobicContact CD1-CG2 4.46Å; Y311-V315 HydrophobicContact CD2-CB 4.12Å; Y311-V315 HydrophobicContact CD2-CG2 3.79Å; Y311-V315 HydrophobicContact CE1-CB 3.79Å; Y311-V315 HydrophobicContact CE1-CG1 3.7Å; Y311-V315 HydrophobicContact CE2-CB 3.99Å; Y311-V315 HydrophobicContact CE2-CG1 3.9Å; Y311-V315 HydrophobicContact CE2-CG2 3.85Å; Y311-V315 HydrophobicContact CG-CB 4.1Å; Y311-V315 HydrophobicContact CG-CG2 4.12Å; Y311-V315 VanDerWaalsContact CZ-CG1 3.41Å; Y311-V315 WeakPolarHBondContact O-CA 3.49Å; Y311-V315 WeakPolarHBondContact O-CB 3.47Å; Y311-V315 PolarHBondContact O-N 3.1Å; Y311-V315 WeakPolarHBondContact OH-CG1 3.3Å; V315-A318 WeakPolarHBondContact O-CB 3.28Å; V315-A318 PolarHBondContact O-N 2.98Å
316	E	94.9	Very high	93.6	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	15%	0.148	C	C	.	.	I	π-helix	trans	-68.8	-41.5	-174.6	-65	-80.2	122.3	0	0	112.7	W67 Y311 A318 Y406 F444 G445	W67-E316 VanDerWaalsContact CZ2-OE1 3.28Å; W67-E316 WeakPolarHBondContact CZ2-OE1 3.24Å; Y311-E316 HydrophobicContact CD1-CG 3.89Å; Y311-E316 HydrophobicContact CE1-CG 3.86Å; Y311-E316 PolarHBondContact O-N 3.19Å; Y311-E316 VanDerWaalsContact O-N 3.09Å; E316-A318 VanDerWaalsContact C-N 3.29Å; E316-A318 PolarHBondContact O-N 2.04Å; E316-Y406 HydrophobicContact CG-CE1 3.62Å; E316-Y406 WeakPolarHBondContact CG-OH 3.24Å; E316-F444 WeakPolarHBondContact OE2-CA 3.31Å; E316-G445 PolarHBondContact OE2-N 3.26Å
317	L	94.4	Very high	93.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-67.5	-29.9	175.1	-65.1	-174.8	0	0	0	112.5	S312 L313 L319 R320 L331 Y369 F372 F443	S312-L317 WeakPolarHBondContact O-CG 3.23Å; S312-L317 PolarHBondContact O-N 3.31Å; L313-L317 HydrophobicContact CD2-CD1 3.99Å; L317-L319 PolarHBondContact O-N 3.21Å; L317-R320 PolarHBondContact O-N 3.48Å; L317-R320 VanDerWaalsContact O-N 3.12Å; L317-L331 HydrophobicContact CD1-CD1 3.57Å; L317-L331 HydrophobicContact CD1-CD2 4.48Å; L317-L331 HydrophobicContact CD2-CD1 4.04Å; L317-L331 HydrophobicContact CG-CD1 4.47Å; L317-Y369 HydrophobicContact CB-CD2 4Å; L317-Y369 HydrophobicContact CB-CE2 4Å; L317-F372 HydrophobicContact CD1-CD1 4.06Å; L317-F372 HydrophobicContact CD1-CE1 3.51Å; L317-F372 HydrophobicContact CD1-CZ 3.82Å; L317-F443 HydrophobicContact CD2-CB 4.34Å; L317-F443 HydrophobicContact CD2-CD1 3.3Å; L317-F443 HydrophobicContact CD2-CD2 3.95Å; L317-F443 HydrophobicContact CD2-CE1 3.35Å; L317-F443 HydrophobicContact CD2-CE2 4.01Å; L317-F443 HydrophobicContact CD2-CG 3.6Å; L317-F443 HydrophobicContact CD2-CZ 3.71Å
318	A	92.1	Very high	93.7	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.008	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-64.1	-24.3	-177.3	0	0	0	0	0	113	V105 T109 R314 V315 E316 R320 Y369	V105-A318 HydrophobicContact CG1-CB 3.47Å; V105-A318 VanDerWaalsContact CG1-CB 3.47Å; T109-A318 WeakPolarHBondContact CB-O 3.38Å; T109-A318 WeakPolarHBondContact CG2-O 3.41Å; T109-A318 VanDerWaalsContact OG1-C 3.29Å; T109-A318 PolarHBondContact OG1-O 3.4Å; R314-A318 WeakPolarHBondContact O-CB 3.23Å; V315-A318 WeakPolarHBondContact O-CB 3.28Å; V315-A318 PolarHBondContact O-N 2.98Å; E316-A318 VanDerWaalsContact C-N 3.29Å; E316-A318 PolarHBondContact O-N 2.04Å; A318-R320 PolarHBondContact O-N 3.17Å; A318-Y369 HydrophobicContact CB-CD1 4.12Å; A318-Y369 HydrophobicContact CB-CD2 4.39Å; A318-Y369 HydrophobicContact CB-CE1 3.59Å; A318-Y369 HydrophobicContact CB-CE2 3.88Å; A318-Y369 VanDerWaalsContact CB-CZ 3.45Å
319	L	90.3	Very high	93.7	Very high	9 Å²	9	30.3 Å²	30.3	5%	0.047	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-60.7	-9.8	175.4	-58.8	-178.6	0	0	0	113.4	Y116 L317	Y116-L319 HydrophobicContact CE2-CD1 4.1Å; Y116-L319 WeakPolarHBondContact OH-CD1 3.48Å; Y116-L319 VanDerWaalsContact OH-CD2 3.26Å; Y116-L319 WeakPolarHBondContact OH-CD2 3.05Å; L317-L319 PolarHBondContact O-N 3.21Å
320	R	91.4	Very high	93.7	Very high	57 Å²	57	30.3 Å²	30.3	22%	0.215	17%	0.17	C	C	.	.			trans	-122.5	103.8	173.3	-65.1	177.8	178.8	-87.2	1.2	109.9	L317 A318 V322 I323 Y369 N442	L317-R320 PolarHBondContact O-N 3.48Å; L317-R320 VanDerWaalsContact O-N 3.12Å; A318-R320 PolarHBondContact O-N 3.17Å; R320-V322 PolarHBondContact O-N 3.41Å; R320-I323 HydrophobicContact CB-CG1 4.29Å; R320-Y369 VanDerWaalsContact O-CB 3.26Å; R320-Y369 WeakPolarHBondContact O-CB 3.16Å; R320-N442 PolarHBondContact NE-O 3.44Å; R320-N442 PolarHBondContact NH2-O 3.22Å
321	S	91.1	Very high	93.9	Very high	62 Å²	62	30.2 Å²	30.2	43%	0.434	17%	0.17	S	C	.	.	S	Bend	trans	-59.3	-29.8	172.8	57.1	0	0	0	0	113.3	S368 Y369	S321-S368 CarbonylContact O-C 3.49Å; S321-S368 WeakPolarHBondContact O-CA 3.39Å; S321-Y369 PolarHBondContact O-N 2.73Å
322	V	93.4	Very high	94.1	Very high	69 Å²	69	31.3 Å²	31.3	42%	0.418	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.5	174.7	-175.7	0	0	0	0	110.2	R320 P366	R320-V322 PolarHBondContact O-N 3.41Å; V322-P366 HydrophobicContact CG1-CB 3.63Å
323	I	94.4	Very high	94.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	115.2	-179.8	-52.3	178.2	0	0	0	108.4	R320 A327 L328 L331 I367 F443	R320-I323 HydrophobicContact CB-CG1 4.29Å; I323-A327 HydrophobicContact CG2-CB 4.23Å; I323-L328 HydrophobicContact CG2-CB 4.16Å; I323-L328 HydrophobicContact CG2-CD1 4.45Å; I323-L331 HydrophobicContact CD1-CD2 3.9Å; I323-L331 HydrophobicContact CG2-CD2 4.18Å; I323-I367 PolarHBondContact N-O 3.39Å; I323-I367 PolarHBondContact O-N 3.16Å; I323-F443 HydrophobicContact CG2-CE1 4.47Å; I323-F443 HydrophobicContact CG2-CZ 4.17Å
324	N	94.3	Very high	94.4	Very high	85 Å²	85	34.1 Å²	34.1	46%	0.455	19%	0.19	S	C	.	.			trans	-148.2	174.4	-177	64.8	23.7	0	0	0	111.7	Q326 A327 L328 P366	N324-Q326 PolarHBondContact O-N 3.19Å; N324-A327 WeakPolarHBondContact O-CB 3.22Å; N324-A327 PolarHBondContact O-N 2.92Å; N324-A327 VanDerWaalsContact O-N 3.13Å; N324-L328 PolarHBondContact O-N 3.33Å; N324-P366 HydrophobicContact CB-CB 3.96Å
325	G	93.7	Very high	94.7	Very high	47 Å²	47	31.4 Å²	31.4	49%	0.485	18%	0.179	S	C	.	.	H	α-helix	trans	54.5	-132.7	175.3	0	0	0	0	0	113	A327 L328 T329	G325-A327 VanDerWaalsContact C-N 3.28Å; G325-A327 PolarHBondContact O-N 3.14Å; G325-L328 PolarHBondContact O-N 3.45Å; G325-T329 PolarHBondContact O-N 3.46Å; G325-T329 VanDerWaalsContact O-N 3.14Å; G325-T329 PolarHBondContact O-OG1 2.99Å
326	Q	94.2	Very high	95	Very high	149 Å²	149	32.9 Å²	32.9	70%	0.696	19%	0.19	S	C	*	.	H	α-helix	trans	-61.9	-32.7	179.2	-68.7	-178.8	-8.5	0	0	113.2	N324 L328 T329 A330	N324-Q326 PolarHBondContact O-N 3.19Å; Q326-L328 VanDerWaalsContact C-N 3.35Å; Q326-T329 PolarHBondContact O-N 2.86Å; Q326-A330 WeakPolarHBondContact O-CB 3.41Å; Q326-A330 PolarHBondContact O-N 2.85Å
327	A	95.1	Very high	95.1	Very high	5 Å²	5	32.9 Å²	32.9	4%	0.041	19%	0.19	C	C	.	.	H	α-helix	trans	-67.5	-38.1	177.6	0	0	0	0	0	111.2	I323 N324 G325 A330 L331 N442 F443	I323-A327 HydrophobicContact CG2-CB 4.23Å; N324-A327 WeakPolarHBondContact O-CB 3.22Å; N324-A327 PolarHBondContact O-N 2.92Å; N324-A327 VanDerWaalsContact O-N 3.13Å; G325-A327 VanDerWaalsContact C-N 3.28Å; G325-A327 PolarHBondContact O-N 3.14Å; A327-A330 PolarHBondContact O-N 3.39Å; A327-L331 WeakPolarHBondContact O-CB 3.16Å; A327-L331 PolarHBondContact O-N 2.86Å; A327-N442 HydrophobicContact CB-CB 4.33Å; A327-F443 HydrophobicContact CB-CE1 4.4Å; A327-F443 HydrophobicContact CB-CZ 4.01Å; A327-F443 VanDerWaalsContact O-CZ 3.26Å; A327-F443 WeakPolarHBondContact O-CZ 3.43Å
328	L	95.9	Very high	95.3	Very high	5 Å²	5	32.9 Å²	32.9	3%	0.026	19%	0.19	C	C	.	.	H	α-helix	trans	-66.8	-42.1	174.4	178.5	58.2	0	0	0	111.6	I323 N324 G325 Q326 A330 L331 K332 L359 G365 I367	I323-L328 HydrophobicContact CG2-CB 4.16Å; I323-L328 HydrophobicContact CG2-CD1 4.45Å; N324-L328 PolarHBondContact O-N 3.33Å; G325-L328 PolarHBondContact O-N 3.45Å; Q326-L328 VanDerWaalsContact C-N 3.35Å; L328-A330 VanDerWaalsContact C-N 3.35Å; L328-L331 PolarHBondContact O-N 3.38Å; L328-K332 HydrophobicContact CD1-CG 4.4Å; L328-K332 WeakPolarHBondContact O-CG 3.46Å; L328-K332 PolarHBondContact O-N 2.86Å; L328-L359 HydrophobicContact CD1-CD2 4.46Å; L328-G365 WeakPolarHBondContact CD2-O 3.46Å; L328-I367 HydrophobicContact CD1-CD1 3.49Å; L328-I367 VanDerWaalsContact CD1-CD1 3.49Å; L328-I367 HydrophobicContact CD1-CG1 4.2Å; L328-I367 HydrophobicContact CD2-CD1 4.34Å; L328-I367 HydrophobicContact CD2-CG1 4.44Å
329	T	96	Very high	95.6	Very high	77 Å²	77	33.4 Å²	33.4	47%	0.472	19%	0.194	S	C	.	.	H	α-helix	trans	-59	-47.4	173	-58.8	0	0	0	0	111	G325 Q326 L331 K332 D333	G325-T329 PolarHBondContact O-N 3.46Å; G325-T329 VanDerWaalsContact O-N 3.14Å; G325-T329 PolarHBondContact O-OG1 2.99Å; Q326-T329 PolarHBondContact O-N 2.86Å; T329-L331 VanDerWaalsContact C-N 3.3Å; T329-L331 PolarHBondContact O-N 3.33Å; T329-K332 PolarHBondContact O-N 3.44Å; T329-K332 VanDerWaalsContact O-N 3.16Å; T329-D333 VanDerWaalsContact O-CG 3.24Å; T329-D333 PolarHBondContact O-N 3.38Å
330	A	97.3	Very high	95.9	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-58.7	-40	176.9	0	0	0	0	0	112.7	Q326 A327 L328 Y334 N438 N442 F443	Q326-A330 WeakPolarHBondContact O-CB 3.41Å; Q326-A330 PolarHBondContact O-N 2.85Å; A327-A330 PolarHBondContact O-N 3.39Å; L328-A330 VanDerWaalsContact C-N 3.35Å; A330-Y334 VanDerWaalsContact O-CB 3.24Å; A330-Y334 WeakPolarHBondContact O-CB 3.39Å; A330-Y334 PolarHBondContact O-N 3.05Å; A330-N438 HydrophobicContact CB-CB 3.77Å; A330-N442 HydrophobicContact CB-CB 4.23Å; A330-F443 HydrophobicContact CB-CE2 4.02Å
331	L	97.4	Very high	96.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.5	-44.3	175.8	178.8	60.6	0	0	0	111.7	L317 I323 A327 L328 T329 Y334 I335 L359 F372 F443	L317-L331 HydrophobicContact CD1-CD1 3.57Å; L317-L331 HydrophobicContact CD1-CD2 4.48Å; L317-L331 HydrophobicContact CD2-CD1 4.04Å; L317-L331 HydrophobicContact CG-CD1 4.47Å; I323-L331 HydrophobicContact CD1-CD2 3.9Å; I323-L331 HydrophobicContact CG2-CD2 4.18Å; A327-L331 WeakPolarHBondContact O-CB 3.16Å; A327-L331 PolarHBondContact O-N 2.86Å; L328-L331 PolarHBondContact O-N 3.38Å; T329-L331 VanDerWaalsContact C-N 3.3Å; T329-L331 PolarHBondContact O-N 3.33Å; L331-Y334 PolarHBondContact O-N 2.81Å; L331-I335 HydrophobicContact CD1-CD1 4.36Å; L331-I335 HydrophobicContact CD1-CG1 3.87Å; L331-I335 HydrophobicContact CG-CG1 4.44Å; L331-I335 WeakPolarHBondContact O-CG1 3.22Å; L331-I335 PolarHBondContact O-N 2.94Å; L331-L359 HydrophobicContact CD2-CD1 4.4Å; L331-L359 HydrophobicContact CD2-CD2 4.15Å; L331-L359 HydrophobicContact CG-CD1 4.02Å; L331-F372 HydrophobicContact CD1-CE2 4.37Å; L331-F372 HydrophobicContact CD1-CZ 4.48Å; L331-F372 HydrophobicContact CD2-CD2 4.14Å; L331-F372 HydrophobicContact CD2-CE2 4.17Å; L331-F443 HydrophobicContact CB-CE2 4.19Å; L331-F443 HydrophobicContact CB-CZ 4.08Å
332	K	97.1	Very high	96.5	Very high	30 Å²	30	31.9 Å²	31.9	13%	0.13	18%	0.181	C	C	.	.	H	α-helix	trans	-60.2	-46.6	176.4	-71.7	-174.7	-179.2	-147.9	0	111.5	L328 T329 S336 L359 Q362	L328-K332 HydrophobicContact CD1-CG 4.4Å; L328-K332 WeakPolarHBondContact O-CG 3.46Å; L328-K332 PolarHBondContact O-N 2.86Å; T329-K332 PolarHBondContact O-N 3.44Å; T329-K332 VanDerWaalsContact O-N 3.16Å; K332-S336 VanDerWaalsContact O-CB 3.23Å; K332-S336 WeakPolarHBondContact O-CB 3.39Å; K332-S336 PolarHBondContact O-N 3.38Å; K332-L359 WeakPolarHBondContact CE-O 3.23Å; K332-L359 HydrophobicContact CG-CB 4.34Å; K332-L359 PolarHBondContact NZ-O 3.45Å; K332-Q362 PolarHBondContact NZ-O 2.96Å
333	D	97.5	Very high	96.5	Very high	59 Å²	59	29.7 Å²	29.7	32%	0.316	17%	0.168	S	C	.	.	H	α-helix	trans	-62.3	-45.2	178.3	-63	-15.1	0	0	0	110.9	T329 S336 V337 A435 N438	T329-D333 VanDerWaalsContact O-CG 3.24Å; T329-D333 PolarHBondContact O-N 3.38Å; D333-S336 PolarHBondContact O-N 2.98Å; D333-V337 WeakPolarHBondContact O-CG2 3.22Å; D333-V337 PolarHBondContact O-N 3.42Å; D333-A435 HydrophobicContact CB-CB 4.24Å; D333-N438 PolarHBondContact OD2-ND2 2.91Å
334	Y	98.4	Very high	96.4	Very high	1 Å²	1	30.6 Å²	30.6	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-61	-50.6	178.9	179.3	-121.1	0	0	0	112.1	S312 L313 A330 L331 S336 V337 L338 F414 Y439	S312-Y334 WeakPolarHBondContact CB-OH 3.27Å; S312-Y334 PolarHBondContact OG-OH 3.38Å; L313-Y334 HydrophobicContact CD2-CE1 4.23Å; A330-Y334 VanDerWaalsContact O-CB 3.24Å; A330-Y334 WeakPolarHBondContact O-CB 3.39Å; A330-Y334 PolarHBondContact O-N 3.05Å; L331-Y334 PolarHBondContact O-N 2.81Å; Y334-S336 VanDerWaalsContact C-N 3.33Å; Y334-S336 PolarHBondContact O-N 2.89Å; Y334-V337 PolarHBondContact O-N 2.86Å; Y334-L338 HydrophobicContact CD1-CD1 4.02Å; Y334-L338 HydrophobicContact CD2-CD1 4.33Å; Y334-L338 HydrophobicContact CD2-CG 4.42Å; Y334-L338 HydrophobicContact CE1-CD1 3.58Å; Y334-L338 HydrophobicContact CE2-CD1 3.91Å; Y334-L338 HydrophobicContact CE2-CD2 4.4Å; Y334-L338 HydrophobicContact CE2-CG 4.14Å; Y334-L338 HydrophobicContact CG-CD1 4.38Å; Y334-L338 VanDerWaalsContact O-CG 3.32Å; Y334-L338 WeakPolarHBondContact O-CG 3.28Å; Y334-L338 PolarHBondContact O-N 3.45Å; Y334-F414 HydrophobicContact CD2-CE1 4.42Å; Y334-F414 HydrophobicContact CD2-CZ 4.05Å; Y334-F414 HydrophobicContact CE2-CE1 4.28Å; Y334-F414 AromaticContact CE2-CZ 3.71Å; Y334-F414 HydrophobicContact CE2-CZ 3.71Å; Y334-Y439 AromaticContact CD1-CD2 3.78Å; Y334-Y439 HydrophobicContact CD1-CD2 3.78Å; Y334-Y439 HydrophobicContact CD1-CE2 4.11Å; Y334-Y439 HydrophobicContact CD2-CD2 4.05Å; Y334-Y439 HydrophobicContact CD2-CG 4.09Å; Y334-Y439 AromaticContact CE1-CD2 3.95Å; Y334-Y439 HydrophobicContact CE1-CD2 3.95Å; Y334-Y439 AromaticContact CE1-CE2 3.87Å; Y334-Y439 HydrophobicContact CE1-CE2 3.87Å; Y334-Y439 HydrophobicContact CE2-CD2 4.22Å; Y334-Y439 HydrophobicContact CE2-CG 4.25Å; Y334-Y439 AromaticContact CG-CD2 3.83Å; Y334-Y439 HydrophobicContact CG-CD2 3.83Å; Y334-Y439 HydrophobicContact CG-CG 4.28Å
335	I	98	Very high	96.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-67.3	-34.4	179.1	-61.7	-60.3	0	0	0	111.6	L313 L331 L338 A339 L355 N356 L359	L313-I335 HydrophobicContact CD2-CD1 3.69Å; L331-I335 HydrophobicContact CD1-CD1 4.36Å; L331-I335 HydrophobicContact CD1-CG1 3.87Å; L331-I335 HydrophobicContact CG-CG1 4.44Å; L331-I335 WeakPolarHBondContact O-CG1 3.22Å; L331-I335 PolarHBondContact O-N 2.94Å; I335-L338 HydrophobicContact CD1-CD1 4.2Å; I335-L338 PolarHBondContact O-N 3.45Å; I335-A339 VanDerWaalsContact O-CB 3.31Å; I335-A339 WeakPolarHBondContact O-CB 3.29Å; I335-A339 PolarHBondContact O-N 3.44Å; I335-L355 HydrophobicContact CG2-CB 4.08Å; I335-N356 HydrophobicContact CG2-CB 3.9Å; I335-L359 HydrophobicContact CB-CD1 3.79Å; I335-L359 HydrophobicContact CG1-CD1 3.56Å; I335-L359 HydrophobicContact CG2-CD1 4.04Å
336	S	97.9	Very high	95.8	Very high	32 Å²	32	34.1 Å²	34.1	22%	0.224	18%	0.182	C	C	.	.	H	α-helix	trans	-61.3	-49.1	174.5	-175.1	0	0	0	0	111.5	K332 D333 Y334 L338 A339 K340 N356	K332-S336 VanDerWaalsContact O-CB 3.23Å; K332-S336 WeakPolarHBondContact O-CB 3.39Å; K332-S336 PolarHBondContact O-N 3.38Å; D333-S336 PolarHBondContact O-N 2.98Å; Y334-S336 VanDerWaalsContact C-N 3.33Å; Y334-S336 PolarHBondContact O-N 2.89Å; S336-L338 VanDerWaalsContact C-N 3.34Å; S336-L338 PolarHBondContact O-N 2.84Å; S336-A339 PolarHBondContact O-N 2.81Å; S336-K340 WeakPolarHBondContact O-CB 3.29Å; S336-K340 PolarHBondContact O-N 2.92Å; S336-N356 WeakPolarHBondContact CA-OD1 3.46Å
337	V	98.1	Very high	95.5	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-60.7	-42.6	176.3	162.6	0	0	0	0	111.3	D333 Y334 K340 Y341 L417 E431 V432 A435	D333-V337 WeakPolarHBondContact O-CG2 3.22Å; D333-V337 PolarHBondContact O-N 3.42Å; Y334-V337 PolarHBondContact O-N 2.86Å; V337-K340 PolarHBondContact O-N 2.89Å; V337-Y341 HydrophobicContact CG1-CD2 4.06Å; V337-Y341 WeakPolarHBondContact O-CB 3.18Å; V337-Y341 WeakPolarHBondContact O-CD2 3.36Å; V337-Y341 PolarHBondContact O-N 3.45Å; V337-L417 HydrophobicContact CG1-CD1 4.05Å; V337-L417 HydrophobicContact CG1-CD2 4.45Å; V337-E431 HydrophobicContact CG2-CG 3.95Å; V337-V432 HydrophobicContact CG1-CB 4.47Å; V337-V432 HydrophobicContact CG1-CG1 4.26Å; V337-V432 HydrophobicContact CG1-CG2 4.16Å; V337-A435 HydrophobicContact CB-CB 4.19Å; V337-A435 HydrophobicContact CG2-CB 3.62Å
338	L	98.2	Very high	95.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.3	-48.2	176.3	-72.2	177.4	0	0	0	112.3	L309 Y334 I335 S336 K340 Y341 F342 L352 L413 L417	L309-L338 HydrophobicContact CD2-CD1 3.49Å; L309-L338 VanDerWaalsContact CD2-CD1 3.49Å; L309-L338 HydrophobicContact CD2-CD2 3.69Å; L309-L338 HydrophobicContact CD2-CG 4.21Å; Y334-L338 HydrophobicContact CD1-CD1 4.02Å; Y334-L338 HydrophobicContact CD2-CD1 4.33Å; Y334-L338 HydrophobicContact CD2-CG 4.42Å; Y334-L338 HydrophobicContact CE1-CD1 3.58Å; Y334-L338 HydrophobicContact CE2-CD1 3.91Å; Y334-L338 HydrophobicContact CE2-CD2 4.4Å; Y334-L338 HydrophobicContact CE2-CG 4.14Å; Y334-L338 HydrophobicContact CG-CD1 4.38Å; Y334-L338 VanDerWaalsContact O-CG 3.32Å; Y334-L338 WeakPolarHBondContact O-CG 3.28Å; Y334-L338 PolarHBondContact O-N 3.45Å; I335-L338 HydrophobicContact CD1-CD1 4.2Å; I335-L338 PolarHBondContact O-N 3.45Å; S336-L338 VanDerWaalsContact C-N 3.34Å; S336-L338 PolarHBondContact O-N 2.84Å; L338-K340 PolarHBondContact O-N 2.93Å; L338-Y341 PolarHBondContact O-N 3.4Å; L338-F342 HydrophobicContact CD2-CB 4.43Å; L338-F342 HydrophobicContact CD2-CD2 4.27Å; L338-F342 WeakPolarHBondContact O-CB 3.44Å; L338-F342 PolarHBondContact O-N 3.41Å; L338-L352 HydrophobicContact CB-CD1 4.2Å; L338-L352 HydrophobicContact CB-CD2 4.08Å; L338-L352 HydrophobicContact CD1-CD2 4.29Å; L338-L413 HydrophobicContact CD2-CD1 4.09Å; L338-L413 HydrophobicContact CD2-CD2 4.36Å; L338-L417 HydrophobicContact CD2-CD1 3.94Å; L338-L417 HydrophobicContact CD2-CD2 4.2Å
339	A	97.1	Very high	95.1	Very high	11 Å²	11	31.2 Å²	31.2	9%	0.091	17%	0.173	C	C	.	.	H	α-helix	trans	-62.5	-26.6	179.7	0	0	0	0	0	113	I335 S336 M349 L352 K353 N356	I335-A339 VanDerWaalsContact O-CB 3.31Å; I335-A339 WeakPolarHBondContact O-CB 3.29Å; I335-A339 PolarHBondContact O-N 3.44Å; S336-A339 PolarHBondContact O-N 2.81Å; A339-M349 VanDerWaalsContact O-CE 3.3Å; A339-M349 WeakPolarHBondContact O-CE 3.47Å; A339-L352 HydrophobicContact CB-CB 4.19Å; A339-K353 HydrophobicContact CB-CG 4.47Å; A339-N356 HydrophobicContact CB-CB 3.86Å
340	K	96.6	Very high	94.9	Very high	87 Å²	87	32.4 Å²	32.4	38%	0.378	18%	0.176	S	C	.	.	H	α-helix	trans	-86.9	-42.9	-179.7	-168.8	173.8	176	-163.7	0	113.2	S336 V337 L338 D426 E431	S336-K340 WeakPolarHBondContact O-CB 3.29Å; S336-K340 PolarHBondContact O-N 2.92Å; V337-K340 PolarHBondContact O-N 2.89Å; L338-K340 PolarHBondContact O-N 2.93Å; K340-D426 VanDerWaalsContact CE-OD1 3.3Å; K340-D426 WeakPolarHBondContact CE-OD1 3.49Å; K340-D426 IonicContact NZ-OD1 2.7Å; K340-D426 PolarHBondContact NZ-OD1 3.19Å; K340-D426 IonicContact NZ-OD2 3.32Å; K340-D426 PolarHBondContact NZ-OD2 3.35Å; K340-E431 IonicContact NZ-OE1 2.68Å; K340-E431 IonicContact NZ-OE2 3.72Å; K340-E431 PolarHBondContact NZ-OE2 2.8Å
341	Y	97.4	Very high	94.5	Very high	3 Å²	3	32.4 Å²	32.4	1%	0.012	18%	0.176	C	C	.	.	H	α-helix	trans	-118	-14.6	-166.5	-59.5	-63.9	0	0	0	115.8	V337 L338 P343 Q420 A421 I424 D426 E431 V432	V337-Y341 HydrophobicContact CG1-CD2 4.06Å; V337-Y341 WeakPolarHBondContact O-CB 3.18Å; V337-Y341 WeakPolarHBondContact O-CD2 3.36Å; V337-Y341 PolarHBondContact O-N 3.45Å; L338-Y341 PolarHBondContact O-N 3.4Å; Y341-P343 WeakPolarHBondContact O-CD 3.26Å; Y341-Q420 WeakPolarHBondContact O-CB 3.35Å; Y341-A421 HydrophobicContact CD1-CB 3.91Å; Y341-A421 VanDerWaalsContact CE1-CA 3.47Å; Y341-A421 HydrophobicContact CE1-CB 3.63Å; Y341-A421 HydrophobicContact CE2-CB 4.24Å; Y341-A421 HydrophobicContact CG-CB 4.32Å; Y341-I424 HydrophobicContact CD1-CD1 3.79Å; Y341-I424 HydrophobicContact CE1-CD1 4.14Å; Y341-D426 HydrophobicContact CE1-CB 4.41Å; Y341-D426 WeakPolarHBondContact OH-CB 3.18Å; Y341-D426 PolarHBondContact OH-OD1 2.79Å; Y341-D426 PolarHBondContact OH-OD2 3.13Å; Y341-D426 VanDerWaalsContact OH-OD2 3.1Å; Y341-E431 WeakPolarHBondContact CE2-OE2 3.24Å; Y341-E431 PolarHBondContact OH-OE2 2.84Å; Y341-V432 HydrophobicContact CD2-CG2 4.01Å; Y341-V432 HydrophobicContact CE2-CG2 4.01Å
342	F	97.6	Very high	94.4	Very high	7 Å²	7	32.5 Å²	32.5	3%	0.031	18%	0.177	C	C	.	.			trans	-64.1	127.7	-178	-172.6	-104.3	0	0	0	110.4	M302 L305 L309 L338 G344 V348 M349 L352 L413 L417	M302-F342 HydrophobicContact SD-CE1 4.43Å; M302-F342 HydrophobicContact SD-CZ 4.16Å; L305-F342 HydrophobicContact CB-CE2 3.91Å; L305-F342 HydrophobicContact CB-CZ 3.94Å; L309-F342 HydrophobicContact CD1-CD1 3.96Å; L309-F342 HydrophobicContact CD1-CD2 4.02Å; L309-F342 HydrophobicContact CD1-CE1 3.54Å; L309-F342 HydrophobicContact CD1-CE2 3.58Å; L309-F342 HydrophobicContact CD1-CG 4.2Å; L309-F342 HydrophobicContact CD1-CZ 3.34Å; L309-F342 HydrophobicContact CD2-CE2 4.47Å; L309-F342 HydrophobicContact CG-CD2 4.49Å; L309-F342 HydrophobicContact CG-CE2 3.94Å; L309-F342 HydrophobicContact CG-CZ 4.07Å; L338-F342 HydrophobicContact CD2-CB 4.43Å; L338-F342 HydrophobicContact CD2-CD2 4.27Å; L338-F342 WeakPolarHBondContact O-CB 3.44Å; L338-F342 PolarHBondContact O-N 3.41Å; F342-G344 VanDerWaalsContact CD1-N 3.29Å; F342-G344 PolarHBondContact O-N 3.28Å; F342-V348 HydrophobicContact CD1-CG1 4.09Å; F342-V348 HydrophobicContact CE1-CG1 3.74Å; F342-M349 HydrophobicContact CB-CE 4.4Å; F342-M349 HydrophobicContact CB-SD 4.02Å; F342-M349 HydrophobicContact CD1-SD 3.78Å; F342-M349 HydrophobicContact CG-SD 4.4Å; F342-M349 WeakPolarHBondContact O-CE 3.43Å; F342-L352 HydrophobicContact CB-CD1 3.89Å; F342-L352 HydrophobicContact CD1-CD1 3.78Å; F342-L352 HydrophobicContact CG-CD1 4.01Å; F342-L413 HydrophobicContact CD2-CD1 3.68Å; F342-L413 HydrophobicContact CE2-CD1 3.72Å; F342-L417 HydrophobicContact CB-CD2 4.37Å
343	P	95.3	Very high	94.3	Very high	23 Å²	23	36.5 Å²	36.5	15%	0.149	19%	0.194	C	C	.	.			trans	-84.6	47.5	-179.4	34.8	-35.8	0	0	0	111.7	M302 Y341 V416 I538	M302-P343 WeakPolarHBondContact CE-O 3.09Å; Y341-P343 WeakPolarHBondContact O-CD 3.26Å; P343-V416 HydrophobicContact CG-CG1 3.58Å; P343-I538 HydrophobicContact CB-CD1 4.12Å; P343-I538 HydrophobicContact CG-CD1 3.45Å; P343-I538 VanDerWaalsContact CG-CD1 3.45Å
344	G	90.4	Very high	94.1	Very high	18 Å²	18	36.5 Å²	36.5	19%	0.186	20%	0.199	C	C	.	.			trans	-77.8	165.7	-172.8	0	0	0	0	0	114.6	F342	F342-G344 VanDerWaalsContact CD1-N 3.29Å; F342-G344 PolarHBondContact O-N 3.28Å
345	R	88.8	Confident	93.8	Very high	106 Å²	106	36.6 Å²	36.6	40%	0.4	20%	0.199	S	C	.	.			trans	-60.8	154.8	167.8	-63.6	-177.7	-74.3	155.1	-2.5	110.2	E306 V347 V348 M349	E306-R345 IonicContact OE1-CZ 3.6Å; E306-R345 IonicContact OE1-NE 3.78Å; E306-R345 PolarHBondContact OE1-NE 2.86Å; E306-R345 IonicContact OE1-NH2 2.68Å; E306-R345 PolarHBondContact OE1-NH2 3.25Å; E306-R345 VanDerWaalsContact OE1-NH2 3.16Å; E306-R345 IonicContact OE2-CZ 3.2Å; E306-R345 IonicContact OE2-NE 3.91Å; E306-R345 IonicContact OE2-NH2 2.98Å; E306-R345 PolarHBondContact OE2-NH2 3.48Å; R345-V347 PolarHBondContact O-N 3.05Å; R345-V347 VanDerWaalsContact O-N 3.1Å; R345-V348 HydrophobicContact CB-CG2 4.21Å; R345-V348 WeakPolarHBondContact O-CB 3.4Å; R345-V348 PolarHBondContact O-N 3.14Å; R345-M349 PolarHBondContact O-N 2.69Å
346	P	88.4	Confident	93.7	Very high	100 Å²	100	38.1 Å²	38.1	65%	0.649	21%	0.207	S	C	*	.	H	α-helix	trans	-50.5	-40.6	-179.1	-30.1	35.9	0	0	0	114.2	M349 N350	P346-M349 PolarHBondContact O-N 2.78Å; P346-N350 WeakPolarHBondContact O-CB 3.14Å; P346-N350 PolarHBondContact O-N 3.09Å; P346-N350 PolarHBondContact O-ND2 3.42Å; P346-N350 PolarHBondContact O-OD1 3.3Å
347	V	86.9	Confident	93.6	Very high	71 Å²	71	40.6 Å²	40.6	43%	0.43	22%	0.221	S	C	.	.	H	α-helix	trans	-63.8	-44.6	177.9	-173.2	0	0	0	0	111.8	R345 M349 N350 L351 A386	R345-V347 PolarHBondContact O-N 3.05Å; R345-V347 VanDerWaalsContact O-N 3.1Å; V347-M349 PolarHBondContact O-N 3.33Å; V347-N350 PolarHBondContact O-N 2.93Å; V347-L351 PolarHBondContact O-N 3.08Å; V347-L351 VanDerWaalsContact O-N 3.08Å; V347-A386 HydrophobicContact CG1-CB 3.8Å
348	V	90	Very high	93.4	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-63.1	-43.4	176.2	-177.3	0	0	0	0	110.5	E306 L309 F342 R345 N350 L351 L352 A386 L387	E306-V348 HydrophobicContact CG-CG2 4.48Å; L309-V348 HydrophobicContact CD1-CG1 4.12Å; F342-V348 HydrophobicContact CD1-CG1 4.09Å; F342-V348 HydrophobicContact CE1-CG1 3.74Å; R345-V348 HydrophobicContact CB-CG2 4.21Å; R345-V348 WeakPolarHBondContact O-CB 3.4Å; R345-V348 PolarHBondContact O-N 3.14Å; V348-N350 VanDerWaalsContact C-N 3.35Å; V348-N350 PolarHBondContact O-N 2.83Å; V348-L351 WeakPolarHBondContact O-CB 3.12Å; V348-L351 PolarHBondContact O-N 3.5Å; V348-L352 HydrophobicContact CG1-CD1 4.13Å; V348-L352 HydrophobicContact CG1-CG 4.44Å; V348-L352 WeakPolarHBondContact O-CG 3.39Å; V348-L352 PolarHBondContact O-N 2.98Å; V348-A386 VanDerWaalsContact CG2-O 3.24Å; V348-A386 WeakPolarHBondContact CG2-O 3.25Å; V348-L387 HydrophobicContact CG1-CD2 4.42Å
349	M	92.9	Very high	93.2	Very high	26 Å²	26	42.4 Å²	42.4	13%	0.128	23%	0.228	C	C	.	.	H	α-helix	trans	-68.3	-34.9	180	-65.6	-49.7	-64.3	0	0	112.5	A339 F342 R345 P346 V347 L352 K353	A339-M349 VanDerWaalsContact O-CE 3.3Å; A339-M349 WeakPolarHBondContact O-CE 3.47Å; F342-M349 HydrophobicContact CB-CE 4.4Å; F342-M349 HydrophobicContact CB-SD 4.02Å; F342-M349 HydrophobicContact CD1-SD 3.78Å; F342-M349 HydrophobicContact CG-SD 4.4Å; F342-M349 WeakPolarHBondContact O-CE 3.43Å; R345-M349 PolarHBondContact O-N 2.69Å; P346-M349 PolarHBondContact O-N 2.78Å; V347-M349 PolarHBondContact O-N 3.33Å; M349-L352 HydrophobicContact CE-CD1 4.47Å; M349-L352 PolarHBondContact O-N 3.37Å; M349-L352 HydrophobicContact SD-CD1 3.92Å; M349-K353 WeakPolarHBondContact O-CB 3.35Å; M349-K353 VanDerWaalsContact O-CG 3.23Å; M349-K353 WeakPolarHBondContact O-CG 3.37Å; M349-K353 PolarHBondContact O-N 3.42Å
350	N	90.8	Very high	93	Very high	102 Å²	102	46 Å²	46	55%	0.545	24%	0.243	S	C	.	.	H	α-helix	trans	-64	-42.1	173.3	-72.4	-13.3	0	0	0	111.3	P346 V347 V348 S354	P346-N350 WeakPolarHBondContact O-CB 3.14Å; P346-N350 PolarHBondContact O-N 3.09Å; P346-N350 PolarHBondContact O-ND2 3.42Å; P346-N350 PolarHBondContact O-OD1 3.3Å; V347-N350 PolarHBondContact O-N 2.93Å; V348-N350 VanDerWaalsContact C-N 3.35Å; V348-N350 PolarHBondContact O-N 2.83Å; N350-S354 VanDerWaalsContact O-CB 3.23Å; N350-S354 WeakPolarHBondContact O-CB 3.49Å; N350-S354 PolarHBondContact O-N 3.2Å
351	L	90.7	Very high	92.8	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-57.6	-54.5	171.3	170.1	69.2	0	0	0	110.9	V347 V348 K353 S354 L355 T379 A386 L387	V347-L351 PolarHBondContact O-N 3.08Å; V347-L351 VanDerWaalsContact O-N 3.08Å; V348-L351 WeakPolarHBondContact O-CB 3.12Å; V348-L351 PolarHBondContact O-N 3.5Å; L351-K353 VanDerWaalsContact C-N 3.33Å; L351-K353 PolarHBondContact O-N 2.8Å; L351-S354 WeakPolarHBondContact O-CB 3.45Å; L351-S354 PolarHBondContact O-N 3.02Å; L351-L355 HydrophobicContact CD1-CD1 3.78Å; L351-L355 HydrophobicContact CD1-CD2 4.49Å; L351-L355 HydrophobicContact CD1-CG 3.9Å; L351-L355 HydrophobicContact CG-CD1 3.87Å; L351-L355 HydrophobicContact CG-CG 4.34Å; L351-L355 WeakPolarHBondContact O-CB 3.28Å; L351-L355 WeakPolarHBondContact O-CG 3.47Å; L351-L355 PolarHBondContact O-N 3.13Å; L351-T379 HydrophobicContact CB-CG2 4.47Å; L351-T379 HydrophobicContact CD1-CG2 4.01Å; L351-A386 HydrophobicContact CB-CB 3.94Å; L351-A386 HydrophobicContact CD2-CB 3.82Å; L351-A386 HydrophobicContact CG-CB 4.4Å; L351-L387 HydrophobicContact CD2-CD1 3.93Å; L351-L387 HydrophobicContact CD2-CG 3.94Å
352	L	94.5	Very high	92.3	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-60.5	-41	-177.1	-69.2	173.5	0	0	0	112.3	L309 L338 A339 F342 V348 M349 N356	L309-L352 HydrophobicContact CD1-CD1 4.31Å; L338-L352 HydrophobicContact CB-CD1 4.2Å; L338-L352 HydrophobicContact CB-CD2 4.08Å; L338-L352 HydrophobicContact CD1-CD2 4.29Å; A339-L352 HydrophobicContact CB-CB 4.19Å; F342-L352 HydrophobicContact CB-CD1 3.89Å; F342-L352 HydrophobicContact CD1-CD1 3.78Å; F342-L352 HydrophobicContact CG-CD1 4.01Å; V348-L352 HydrophobicContact CG1-CD1 4.13Å; V348-L352 HydrophobicContact CG1-CG 4.44Å; V348-L352 WeakPolarHBondContact O-CG 3.39Å; V348-L352 PolarHBondContact O-N 2.98Å; M349-L352 HydrophobicContact CE-CD1 4.47Å; M349-L352 PolarHBondContact O-N 3.37Å; M349-L352 HydrophobicContact SD-CD1 3.92Å; L352-N356 WeakPolarHBondContact O-CB 3.46Å; L352-N356 PolarHBondContact O-N 3.35Å
353	K	94.6	Very high	91.4	Very high	114 Å²	114	56.8 Å²	56.8	50%	0.496	30%	0.303	S	S	.	.	H	α-helix	trans	-65.6	-43.7	175.4	-72.9	172.9	-178.4	179.8	0	111.9	A339 M349 L351 N356 T357	A339-K353 HydrophobicContact CB-CG 4.47Å; M349-K353 WeakPolarHBondContact O-CB 3.35Å; M349-K353 VanDerWaalsContact O-CG 3.23Å; M349-K353 WeakPolarHBondContact O-CG 3.37Å; M349-K353 PolarHBondContact O-N 3.42Å; L351-K353 VanDerWaalsContact C-N 3.33Å; L351-K353 PolarHBondContact O-N 2.8Å; K353-N356 PolarHBondContact O-N 2.95Å; K353-T357 PolarHBondContact O-N 2.88Å; K353-T357 PolarHBondContact O-OG1 2.92Å; K353-T357 VanDerWaalsContact O-OG1 3.08Å
354	S	92.8	Very high	90.4	Very high	60 Å²	60	65.4 Å²	65.4	42%	0.42	34%	0.338	S	S	.	.	H	α-helix	trans	-60.4	-48.1	176.2	-177.9	0	0	0	0	111.4	N350 L351 N356 T357 W358	N350-S354 VanDerWaalsContact O-CB 3.23Å; N350-S354 WeakPolarHBondContact O-CB 3.49Å; N350-S354 PolarHBondContact O-N 3.2Å; L351-S354 WeakPolarHBondContact O-CB 3.45Å; L351-S354 PolarHBondContact O-N 3.02Å; S354-N356 PolarHBondContact O-N 3.42Å; S354-T357 PolarHBondContact O-N 2.92Å; S354-W358 WeakPolarHBondContact O-CB 3.34Å; S354-W358 PolarHBondContact O-N 3.17Å
355	L	93.6	Very high	89.9	Confident	2 Å²	2	66.1 Å²	66.1	1%	0.01	35%	0.346	C	S	.	.	H	α-helix	trans	-60.9	-43.3	176	-71.6	175.6	0	0	0	111.9	I335 L351 W358 L359 R375 V376	I335-L355 HydrophobicContact CG2-CB 4.08Å; L351-L355 HydrophobicContact CD1-CD1 3.78Å; L351-L355 HydrophobicContact CD1-CD2 4.49Å; L351-L355 HydrophobicContact CD1-CG 3.9Å; L351-L355 HydrophobicContact CG-CD1 3.87Å; L351-L355 HydrophobicContact CG-CG 4.34Å; L351-L355 WeakPolarHBondContact O-CB 3.28Å; L351-L355 WeakPolarHBondContact O-CG 3.47Å; L351-L355 PolarHBondContact O-N 3.13Å; L355-W358 PolarHBondContact O-N 2.88Å; L355-L359 WeakPolarHBondContact O-CB 3.39Å; L355-L359 WeakPolarHBondContact O-CG 3.42Å; L355-L359 PolarHBondContact O-N 3.36Å; L355-R375 HydrophobicContact CD2-CB 3.79Å; L355-V376 HydrophobicContact CD1-CG2 4.07Å; L355-V376 HydrophobicContact CD2-CG2 4.14Å
356	N	96.1	Very high	90	Very high	32 Å²	32	65.7 Å²	65.7	17%	0.171	36%	0.356	C	S	.	.	H	α-helix	trans	-60.8	-53.3	177.5	-171.1	38	0	0	0	110.6	I335 S336 A339 L352 K353 S354 W358 L359 Q360	I335-N356 HydrophobicContact CG2-CB 3.9Å; S336-N356 WeakPolarHBondContact CA-OD1 3.46Å; A339-N356 HydrophobicContact CB-CB 3.86Å; L352-N356 WeakPolarHBondContact O-CB 3.46Å; L352-N356 PolarHBondContact O-N 3.35Å; K353-N356 PolarHBondContact O-N 2.95Å; S354-N356 PolarHBondContact O-N 3.42Å; N356-W358 VanDerWaalsContact C-N 3.28Å; N356-W358 PolarHBondContact O-N 2.85Å; N356-L359 PolarHBondContact O-N 3.4Å; N356-L359 VanDerWaalsContact O-N 3.15Å; N356-Q360 VanDerWaalsContact O-CG 3.29Å; N356-Q360 WeakPolarHBondContact O-CG 3.48Å; N356-Q360 PolarHBondContact O-N 3.08Å; N356-Q360 PolarHBondContact OD1-NE2 3.22Å
357	T	95.1	Very high	90.3	Very high	84 Å²	84	61.4 Å²	61.4	52%	0.515	33%	0.328	S	S	.	.	H	α-helix	trans	-55.1	-45.7	178	-60.3	0	0	0	0	111.4	K353 S354 Q360 N361	K353-T357 PolarHBondContact O-N 2.88Å; K353-T357 PolarHBondContact O-OG1 2.92Å; K353-T357 VanDerWaalsContact O-OG1 3.08Å; S354-T357 PolarHBondContact O-N 2.92Å; T357-Q360 PolarHBondContact O-N 3.33Å; T357-N361 WeakPolarHBondContact O-CB 3.34Å; T357-N361 PolarHBondContact O-N 3.18Å; T357-N361 VanDerWaalsContact O-N 3.12Å; T357-N361 PolarHBondContact O-ND2 2.87Å
358	W	93.3	Very high	90.7	Very high	41 Å²	41	60.3 Å²	60.3	16%	0.155	32%	0.324	C	S	.	.	H	α-helix	trans	-61.7	-46.7	178	175	79.6	0	0	0	112.3	S354 L355 N356 N361 Q362 I367 F372 R375	S354-W358 WeakPolarHBondContact O-CB 3.34Å; S354-W358 PolarHBondContact O-N 3.17Å; L355-W358 PolarHBondContact O-N 2.88Å; N356-W358 VanDerWaalsContact C-N 3.28Å; N356-W358 PolarHBondContact O-N 2.85Å; W358-N361 PolarHBondContact O-N 3.5Å; W358-Q362 HydrophobicContact CD2-CG 4.44Å; W358-Q362 HydrophobicContact CH2-CG 4.43Å; W358-Q362 HydrophobicContact CZ2-CG 4.2Å; W358-Q362 VanDerWaalsContact NE1-NE2 3.17Å; W358-Q362 WeakPolarHBondContact O-CG 3.23Å; W358-Q362 PolarHBondContact O-N 3.34Å; W358-Q362 PolarHBondContact O-NE2 3.08Å; W358-I367 HydrophobicContact CH2-CD1 4.25Å; W358-I367 HydrophobicContact CH2-CG2 3.79Å; W358-F372 AromaticContact CZ3-CD2 3.91Å; W358-F372 HydrophobicContact CZ3-CD2 3.91Å; W358-R375 HydrophobicContact CD2-CG 4.13Å; W358-R375 HydrophobicContact CE3-CG 4.46Å; W358-R375 HydrophobicContact CZ2-CG 4.25Å
359	L	94.2	Very high	90.8	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-65.9	-40.3	179	-84.7	176	0	0	0	112.9	L328 L331 K332 I335 L355 N356 N361 Q362 I367 F372	L328-L359 HydrophobicContact CD1-CD2 4.46Å; L331-L359 HydrophobicContact CD2-CD1 4.4Å; L331-L359 HydrophobicContact CD2-CD2 4.15Å; L331-L359 HydrophobicContact CG-CD1 4.02Å; K332-L359 WeakPolarHBondContact CE-O 3.23Å; K332-L359 HydrophobicContact CG-CB 4.34Å; K332-L359 PolarHBondContact NZ-O 3.45Å; I335-L359 HydrophobicContact CB-CD1 3.79Å; I335-L359 HydrophobicContact CG1-CD1 3.56Å; I335-L359 HydrophobicContact CG2-CD1 4.04Å; L355-L359 WeakPolarHBondContact O-CB 3.39Å; L355-L359 WeakPolarHBondContact O-CG 3.42Å; L355-L359 PolarHBondContact O-N 3.36Å; N356-L359 PolarHBondContact O-N 3.4Å; N356-L359 VanDerWaalsContact O-N 3.15Å; L359-N361 VanDerWaalsContact C-N 3.27Å; L359-N361 PolarHBondContact O-N 3.47Å; L359-Q362 WeakPolarHBondContact O-CB 3.3Å; L359-Q362 PolarHBondContact O-N 2.89Å; L359-I367 HydrophobicContact CD2-CD1 3.9Å; L359-F372 HydrophobicContact CD1-CE2 4.16Å; L359-F372 HydrophobicContact CD2-CD2 4.48Å
360	Q	93.3	Very high	90.7	Very high	85 Å²	85	63.3 Å²	63.3	40%	0.397	34%	0.337	S	S	.	.	H	α-helix	trans	-65.2	-35.6	177.7	-63.1	-47.8	-29.6	0	0	111.2	N356 T357 Q362	N356-Q360 VanDerWaalsContact O-CG 3.29Å; N356-Q360 WeakPolarHBondContact O-CG 3.48Å; N356-Q360 PolarHBondContact O-N 3.08Å; N356-Q360 PolarHBondContact OD1-NE2 3.22Å; T357-Q360 PolarHBondContact O-N 3.33Å; Q360-Q362 VanDerWaalsContact C-N 3.29Å; Q360-Q362 PolarHBondContact O-N 2.8Å
361	N	91.4	Very high	90.7	Very high	120 Å²	120	60.1 Å²	60.1	64%	0.642	32%	0.324	S	S	*	.	H	α-helix	trans	-73.4	-16.4	175.8	-69.2	-13.4	0	0	0	113.9	T357 W358 L359 N363	T357-N361 WeakPolarHBondContact O-CB 3.34Å; T357-N361 PolarHBondContact O-N 3.18Å; T357-N361 VanDerWaalsContact O-N 3.12Å; T357-N361 PolarHBondContact O-ND2 2.87Å; W358-N361 PolarHBondContact O-N 3.5Å; L359-N361 VanDerWaalsContact C-N 3.27Å; L359-N361 PolarHBondContact O-N 3.47Å; N361-N363 PolarHBondContact O-N 3.43Å
362	Q	87.3	Confident	90.8	Very high	64 Å²	64	60 Å²	60	30%	0.299	32%	0.324	S	S	.	.	S	Bend	trans	-70	129.4	173	-60.3	-49.4	-55.7	0	0	110	K332 W358 L359 Q360 I367	K332-Q362 PolarHBondContact NZ-O 2.96Å; W358-Q362 HydrophobicContact CD2-CG 4.44Å; W358-Q362 HydrophobicContact CH2-CG 4.43Å; W358-Q362 HydrophobicContact CZ2-CG 4.2Å; W358-Q362 VanDerWaalsContact NE1-NE2 3.17Å; W358-Q362 WeakPolarHBondContact O-CG 3.23Å; W358-Q362 PolarHBondContact O-N 3.34Å; W358-Q362 PolarHBondContact O-NE2 3.08Å; L359-Q362 WeakPolarHBondContact O-CB 3.3Å; L359-Q362 PolarHBondContact O-N 2.89Å; Q360-Q362 VanDerWaalsContact C-N 3.29Å; Q360-Q362 PolarHBondContact O-N 2.8Å; Q362-I367 HydrophobicContact CB-CD1 3.86Å; Q362-I367 HydrophobicContact CG-CD1 3.68Å; Q362-I367 HydrophobicContact CG-CG1 4.49Å
363	N	79.5	Confident	90.6	Very high	141 Å²	141	65.2 Å²	65.2	75%	0.754	34%	0.344	S	S	*	.			trans	-56.5	168.3	168.9	-69.3	-29.4	0	0	0	110.7	N361 G365	N361-N363 PolarHBondContact O-N 3.43Å; N363-G365 PolarHBondContact O-N 2.74Å
364	K	73	Confident	90.3	Very high	204 Å²	204	65 Å²	65	89%	0.887	34%	0.344	S	S	*	.	S	Bend	trans	-63.1	8.9	175.4	-66.7	-175.2	179.4	178.9	0	114.6
365	G	81.8	Confident	90	Very high	33 Å²	33	68.3 Å²	68.3	34%	0.34	35%	0.348	S	S	.	.	S	Bend	trans	-72.2	164.4	178.5	0	0	0	0	0	112.9	L328 N363	L328-G365 WeakPolarHBondContact CD2-O 3.46Å; N363-G365 PolarHBondContact O-N 2.74Å
366	P	91.1	Very high	89.7	Confident	96 Å²	96	68.5 Å²	68.5	62%	0.623	35%	0.349	S	S	*	.			trans	-65.4	142.5	178	27.5	-33.7	0	0	0	112	V322 N324	V322-P366 HydrophobicContact CG1-CB 3.63Å; N324-P366 HydrophobicContact CB-CB 3.96Å
367	I	94	Very high	88.9	Confident	11 Å²	11	69.6 Å²	69.6	6%	0.056	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132.9	173.8	-58.9	179.3	0	0	0	108.2	I323 L328 W358 L359 Q362	I323-I367 PolarHBondContact N-O 3.39Å; I323-I367 PolarHBondContact O-N 3.16Å; L328-I367 HydrophobicContact CD1-CD1 3.49Å; L328-I367 VanDerWaalsContact CD1-CD1 3.49Å; L328-I367 HydrophobicContact CD1-CG1 4.2Å; L328-I367 HydrophobicContact CD2-CD1 4.34Å; L328-I367 HydrophobicContact CD2-CG1 4.44Å; W358-I367 HydrophobicContact CH2-CD1 4.25Å; W358-I367 HydrophobicContact CH2-CG2 3.79Å; L359-I367 HydrophobicContact CD2-CD1 3.9Å; Q362-I367 HydrophobicContact CB-CD1 3.86Å; Q362-I367 HydrophobicContact CG-CD1 3.68Å; Q362-I367 HydrophobicContact CG-CG1 4.49Å
368	S	94.2	Very high	87.7	Confident	48 Å²	48	70.2 Å²	70.2	34%	0.336	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	144	170.6	62.7	0	0	0	0	110.9	S321 E370 A371 F372	S321-S368 CarbonylContact O-C 3.49Å; S321-S368 WeakPolarHBondContact O-CA 3.39Å; S368-E370 PolarHBondContact O-N 2.94Å; S368-A371 PolarHBondContact O-N 3.39Å; S368-A371 VanDerWaalsContact OG-CB 3.29Å; S368-A371 WeakPolarHBondContact OG-CB 3.24Å; S368-A371 PolarHBondContact OG-N 2.93Å; S368-F372 PolarHBondContact O-N 2.85Å
369	Y	92.8	Very high	86	Confident	11 Å²	11	70.9 Å²	70.9	4%	0.043	36%	0.363	C	S	.	.	H	α-helix	trans	-61.3	-35.1	175.3	165.6	-100	0	0	0	111.4	R314 L317 A318 R320 S321 A371 F372 R373	R314-Y369 PolarHBondContact O-OH 2.97Å; L317-Y369 HydrophobicContact CB-CD2 4Å; L317-Y369 HydrophobicContact CB-CE2 4Å; A318-Y369 HydrophobicContact CB-CD1 4.12Å; A318-Y369 HydrophobicContact CB-CD2 4.39Å; A318-Y369 HydrophobicContact CB-CE1 3.59Å; A318-Y369 HydrophobicContact CB-CE2 3.88Å; A318-Y369 VanDerWaalsContact CB-CZ 3.45Å; R320-Y369 VanDerWaalsContact O-CB 3.26Å; R320-Y369 WeakPolarHBondContact O-CB 3.16Å; S321-Y369 PolarHBondContact O-N 2.73Å; Y369-A371 VanDerWaalsContact C-N 3.34Å; Y369-A371 PolarHBondContact O-N 3.22Å; Y369-F372 CarbonylContact O-C 3.45Å; Y369-F372 WeakPolarHBondContact O-CB 3.33Å; Y369-F372 PolarHBondContact O-N 3.02Å; Y369-F372 VanDerWaalsContact O-N 3.13Å; Y369-R373 HydrophobicContact CE1-CB 4.14Å; Y369-R373 HydrophobicContact CE1-CG 4.46Å; Y369-R373 HydrophobicContact CE2-CB 4.39Å; Y369-R373 WeakPolarHBondContact O-CB 3.35Å; Y369-R373 PolarHBondContact O-N 2.83Å
370	E	91.2	Very high	83.8	Confident	79 Å²	79	72.3 Å²	72.3	37%	0.369	38%	0.375	S	S	.	.	H	α-helix	trans	-60.2	-43.1	177.2	-65.7	71.9	-156.7	0	0	111.5	S368 F372 R373 E374	S368-E370 PolarHBondContact O-N 2.94Å; E370-F372 VanDerWaalsContact C-N 3.32Å; E370-F372 PolarHBondContact O-N 3.35Å; E370-R373 PolarHBondContact O-N 3.18Å; E370-E374 WeakPolarHBondContact O-CB 3.47Å; E370-E374 WeakPolarHBondContact O-CG 3.38Å; E370-E374 PolarHBondContact O-N 2.9Å
371	A	91.4	Very high	81.6	Confident	34 Å²	34	76.9 Å²	76.9	28%	0.281	40%	0.397	S	S	.	.	H	α-helix	trans	-65.9	-35.9	176.2	0	0	0	0	0	112.1	S368 Y369 R375	S368-A371 PolarHBondContact O-N 3.39Å; S368-A371 VanDerWaalsContact OG-CB 3.29Å; S368-A371 WeakPolarHBondContact OG-CB 3.24Å; S368-A371 PolarHBondContact OG-N 2.93Å; Y369-A371 VanDerWaalsContact C-N 3.34Å; Y369-A371 PolarHBondContact O-N 3.22Å; A371-R375 WeakPolarHBondContact O-CG 3.35Å; A371-R375 PolarHBondContact O-N 3.44Å
372	F	92.4	Very high	79.7	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-65.4	-48.1	172.4	178.1	-90.5	0	0	0	111.2	L313 L317 L331 W358 L359 S368 Y369 E370 E374 R375 V376	L313-F372 HydrophobicContact CB-CE1 4.34Å; L313-F372 HydrophobicContact CD2-CE1 4.32Å; L313-F372 HydrophobicContact CD2-CZ 4.04Å; L317-F372 HydrophobicContact CD1-CD1 4.06Å; L317-F372 HydrophobicContact CD1-CE1 3.51Å; L317-F372 HydrophobicContact CD1-CZ 3.82Å; L331-F372 HydrophobicContact CD1-CE2 4.37Å; L331-F372 HydrophobicContact CD1-CZ 4.48Å; L331-F372 HydrophobicContact CD2-CD2 4.14Å; L331-F372 HydrophobicContact CD2-CE2 4.17Å; W358-F372 AromaticContact CZ3-CD2 3.91Å; W358-F372 HydrophobicContact CZ3-CD2 3.91Å; L359-F372 HydrophobicContact CD1-CE2 4.16Å; L359-F372 HydrophobicContact CD2-CD2 4.48Å; S368-F372 PolarHBondContact O-N 2.85Å; Y369-F372 CarbonylContact O-C 3.45Å; Y369-F372 WeakPolarHBondContact O-CB 3.33Å; Y369-F372 PolarHBondContact O-N 3.02Å; Y369-F372 VanDerWaalsContact O-N 3.13Å; E370-F372 VanDerWaalsContact C-N 3.32Å; E370-F372 PolarHBondContact O-N 3.35Å; F372-E374 PolarHBondContact O-N 3.49Å; F372-R375 WeakPolarHBondContact O-CB 3.4Å; F372-R375 PolarHBondContact O-N 3.32Å; F372-V376 HydrophobicContact CD1-CG2 4.03Å; F372-V376 HydrophobicContact CE1-CG2 3.52Å; F372-V376 HydrophobicContact CZ-CG2 3.92Å; F372-V376 PolarHBondContact O-N 2.87Å; F372-V376 VanDerWaalsContact O-N 3.13Å
373	R	89.9	Confident	77.5	Confident	111 Å²	111	78.1 Å²	78.1	42%	0.419	42%	0.415	S	S	.	.	H	α-helix	trans	-60.3	-44.9	-179.8	-172.6	-175.8	71.3	-177	0.2	111.4	Y369 E370 R375 V376 D377	Y369-R373 HydrophobicContact CE1-CB 4.14Å; Y369-R373 HydrophobicContact CE1-CG 4.46Å; Y369-R373 HydrophobicContact CE2-CB 4.39Å; Y369-R373 WeakPolarHBondContact O-CB 3.35Å; Y369-R373 PolarHBondContact O-N 2.83Å; E370-R373 PolarHBondContact O-N 3.18Å; R373-R375 PolarHBondContact O-N 3.28Å; R373-V376 CarbonylContact O-C 3.53Å; R373-V376 WeakPolarHBondContact O-CA 3.18Å; R373-V376 WeakPolarHBondContact O-CB 3.36Å; R373-V376 PolarHBondContact O-N 3.41Å; R373-D377 WeakPolarHBondContact CG-OD2 3.26Å; R373-D377 PolarHBondContact O-N 3.22Å
374	E	87.4	Confident	76.1	Confident	110 Å²	110	77.7 Å²	77.7	51%	0.514	41%	0.413	S	S	.	.	H	α-helix	trans	-56	-34.4	173.9	-79.3	178.7	-170.4	0	0	112.3	E370 F372 D377 N378	E370-E374 WeakPolarHBondContact O-CB 3.47Å; E370-E374 WeakPolarHBondContact O-CG 3.38Å; E370-E374 PolarHBondContact O-N 2.9Å; F372-E374 PolarHBondContact O-N 3.49Å; E374-D377 PolarHBondContact O-N 3.37Å; E374-N378 WeakPolarHBondContact O-CA 3.42Å; E374-N378 WeakPolarHBondContact O-CB 3.29Å; E374-N378 PolarHBondContact O-N 2.88Å; E374-N378 PolarHBondContact O-ND2 2.91Å
375	R	87.2	Confident	75.6	Confident	129 Å²	129	69.9 Å²	69.9	49%	0.487	39%	0.386	S	S	.	.	H	α-helix	trans	-71.7	-38.6	174.8	-65.8	-65.5	-177.2	-178.3	-2.4	112.5	L355 W358 A371 F372 R373 D377 T379	L355-R375 HydrophobicContact CD2-CB 3.79Å; W358-R375 HydrophobicContact CD2-CG 4.13Å; W358-R375 HydrophobicContact CE3-CG 4.46Å; W358-R375 HydrophobicContact CZ2-CG 4.25Å; A371-R375 WeakPolarHBondContact O-CG 3.35Å; A371-R375 PolarHBondContact O-N 3.44Å; F372-R375 WeakPolarHBondContact O-CB 3.4Å; F372-R375 PolarHBondContact O-N 3.32Å; R373-R375 PolarHBondContact O-N 3.28Å; R375-D377 VanDerWaalsContact C-N 3.3Å; R375-T379 PolarHBondContact O-OG1 3.46Å
376	V	87.3	Confident	74.9	Confident	6 Å²	6	68.5 Å²	68.5	4%	0.036	37%	0.372	C	S	.	.	H	α-helix	trans	-61.5	-42.4	173.7	179.2	0	0	0	0	110.2	L355 F372 R373 L387	L355-V376 HydrophobicContact CD1-CG2 4.07Å; L355-V376 HydrophobicContact CD2-CG2 4.14Å; F372-V376 HydrophobicContact CD1-CG2 4.03Å; F372-V376 HydrophobicContact CE1-CG2 3.52Å; F372-V376 HydrophobicContact CZ-CG2 3.92Å; F372-V376 PolarHBondContact O-N 2.87Å; F372-V376 VanDerWaalsContact O-N 3.13Å; R373-V376 CarbonylContact O-C 3.53Å; R373-V376 WeakPolarHBondContact O-CA 3.18Å; R373-V376 WeakPolarHBondContact O-CB 3.36Å; R373-V376 PolarHBondContact O-N 3.41Å; V376-L387 HydrophobicContact CG1-CD1 4.45Å
377	D	79.2	Confident	74.2	Confident	55 Å²	55	64.2 Å²	64.2	29%	0.294	34%	0.343	S	S	.	.	H	α-helix	trans	-83.9	-38.8	-174.5	-63.5	-18.1	0	0	0	113.3	R314 R373 E374 R375 T379 A380	R314-D377 IonicContact CZ-OD1 3.69Å; R314-D377 IonicContact NE-OD1 3.67Å; R314-D377 IonicContact NH2-OD1 2.7Å; R314-D377 PolarHBondContact NH2-OD1 3.34Å; R373-D377 WeakPolarHBondContact CG-OD2 3.26Å; R373-D377 PolarHBondContact O-N 3.22Å; E374-D377 PolarHBondContact O-N 3.37Å; R375-D377 VanDerWaalsContact C-N 3.3Å; D377-T379 PolarHBondContact O-N 2.94Å; D377-A380 WeakPolarHBondContact O-CA 3.47Å; D377-A380 WeakPolarHBondContact O-CB 3.33Å; D377-A380 PolarHBondContact O-N 2.95Å
378	N	69.3	Low	73.2	Confident	96 Å²	96	65.6 Å²	65.6	51%	0.513	35%	0.353	S	S	.	.	H	α-helix	trans	-72.9	-14.4	-178	-70.6	-33.2	0	0	0	113.5	E374 A380	E374-N378 WeakPolarHBondContact O-CA 3.42Å; E374-N378 WeakPolarHBondContact O-CB 3.29Å; E374-N378 PolarHBondContact O-N 2.88Å; E374-N378 PolarHBondContact O-ND2 2.91Å; N378-A380 PolarHBondContact O-N 3.08Å
379	T	57.3	Low	72.1	Confident	55 Å²	55	71.9 Å²	71.9	34%	0.337	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-0.7	169.4	-44	0	0	0	0	111.4	L351 R375 D377	L351-T379 HydrophobicContact CB-CG2 4.47Å; L351-T379 HydrophobicContact CD1-CG2 4.01Å; R375-T379 PolarHBondContact O-OG1 3.46Å; D377-T379 PolarHBondContact O-N 2.94Å
380	A	49.4	Very low	71.4	Confident	31 Å²	31	72.5 Å²	72.5	26%	0.256	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	18	-176.8	0	0	0	0	0	115.6	D377 N378 V382 A385	D377-A380 WeakPolarHBondContact O-CA 3.47Å; D377-A380 WeakPolarHBondContact O-CB 3.33Å; D377-A380 PolarHBondContact O-N 2.95Å; N378-A380 PolarHBondContact O-N 3.08Å; A380-V382 PolarHBondContact O-N 3.2Å; A380-A385 HydrophobicContact CB-CB 3.91Å
381	Q	47.1	Very low	71.3	Confident	181 Å²	181	70.5 Å²	70.5	85%	0.846	38%	0.38	S	S	*	.			trans	-73.3	30.8	168.9	-67.1	-167.9	1	0	0	113.5
382	V	50.2	Low	71.1	Confident	89 Å²	89	74 Å²	74	54%	0.539	39%	0.386	S	S	.	.	S	Bend	trans	-119.7	139.3	175.7	-172.1	0	0	0	0	106.6	A380 D384	A380-V382 PolarHBondContact O-N 3.2Å; V382-D384 CarbonylContact O-C 3.5Å; V382-D384 PolarHBondContact O-N 2.77Å; V382-D384 VanDerWaalsContact O-N 3.13Å
383	P	41.5	Very low	71.1	Confident	120 Å²	120	74.2 Å²	74.2	78%	0.779	39%	0.387	S	S	*	.	S	Bend	trans	-57.3	122.5	168.7	-12.6	26.3	0	0	0	107.4
384	D	50.8	Low	71.2	Confident	133 Å²	133	69.5 Å²	69.5	71%	0.711	37%	0.37	S	S	*	.	S	Bend	trans	84.2	82.5	-161.8	-55.5	-29.5	0	0	0	114.1	V382 A386	V382-D384 CarbonylContact O-C 3.5Å; V382-D384 PolarHBondContact O-N 2.77Å; V382-D384 VanDerWaalsContact O-N 3.13Å; D384-A386 PolarHBondContact O-N 2.83Å
385	A	62	Low	71.4	Confident	39 Å²	39	64.7 Å²	64.7	32%	0.322	35%	0.35	S	S	.	.			trans	-47.6	135.7	167.8	0	0	0	0	0	111	A380 L387	A380-A385 HydrophobicContact CB-CB 3.91Å; A385-L387 WeakPolarHBondContact CB-O 3.47Å; A385-L387 PolarHBondContact O-N 3.13Å; A385-L387 VanDerWaalsContact O-N 3.08Å
386	A	68	Low	71.8	Confident	5 Å²	5	58.6 Å²	58.6	4%	0.041	33%	0.327	C	S	.	.	S	Bend	trans	-58	-27.8	-173.5	0	0	0	0	0	113.5	V347 V348 L351 D384	V347-A386 HydrophobicContact CG1-CB 3.8Å; V348-A386 VanDerWaalsContact CG2-O 3.24Å; V348-A386 WeakPolarHBondContact CG2-O 3.25Å; L351-A386 HydrophobicContact CB-CB 3.94Å; L351-A386 HydrophobicContact CD2-CB 3.82Å; L351-A386 HydrophobicContact CG-CB 4.4Å; D384-A386 PolarHBondContact O-N 2.83Å
387	L	76.6	Confident	72.1	Confident	6 Å²	6	58.7 Å²	58.7	3%	0.031	33%	0.327	C	S	.	.	S	Bend	trans	-121.5	152	169.9	-69	173.6	0	0	0	109	L309 L313 V348 L351 V376 A385	L309-L387 HydrophobicContact CB-CD2 4.07Å; L309-L387 HydrophobicContact CD1-CD2 4.42Å; L313-L387 HydrophobicContact CD1-CD1 4.11Å; V348-L387 HydrophobicContact CG1-CD2 4.42Å; L351-L387 HydrophobicContact CD2-CD1 3.93Å; L351-L387 HydrophobicContact CD2-CG 3.94Å; V376-L387 HydrophobicContact CG1-CD1 4.45Å; A385-L387 WeakPolarHBondContact CB-O 3.47Å; A385-L387 PolarHBondContact O-N 3.13Å; A385-L387 VanDerWaalsContact O-N 3.08Å
388	P	72.8	Confident	72.6	Confident	40 Å²	40	56.3 Å²	56.3	26%	0.26	32%	0.315	S	S	.	.			trans	-60.5	155.3	177.7	28.2	-36.4	0	0	0	111.4	H310 G390	H310-P388 PolarHBondContact CE1-O 2.92Å; H310-P388 VanDerWaalsContact CE1-O 3.23Å; H310-P388 PolarHBondContact ND1-O 3.4Å; P388-G390 WeakPolarHBondContact CB-O 3.08Å; P388-G390 WeakPolarHBondContact CG-O 3.14Å; P388-G390 PolarHBondContact O-N 3.16Å
389	E	70.8	Confident	73.5	Confident	180 Å²	180	53.5 Å²	53.5	84%	0.841	30%	0.303	S	S	*	.	S	Bend	trans	-64.6	-23.5	177.9	-74.1	-174.5	168.3	0	0	113.3	H310	H310-E389 PolarHBondContact CE1-O 2.93Å; H310-E389 VanDerWaalsContact CE1-O 3.26Å
390	G	78.4	Confident	74.9	Confident	24 Å²	24	55.4 Å²	55.4	25%	0.247	31%	0.309	C	S	.	.	S	Bend	trans	-151.2	-178.5	173.9	0	0	0	0	0	111.6	P388	P388-G390 WeakPolarHBondContact CB-O 3.08Å; P388-G390 WeakPolarHBondContact CG-O 3.14Å; P388-G390 PolarHBondContact O-N 3.16Å
391	V	87.6	Confident	76.6	Confident	37 Å²	37	56.2 Å²	56.2	22%	0.224	31%	0.311	C	S	.	.			trans	-77.4	142.9	179.2	-64.3	0	0	0	0	112.4	Y311 W393	Y311-V391 HydrophobicContact CD2-CG1 3.92Å; Y311-V391 HydrophobicContact CG-CG1 4.46Å; V391-W393 HydrophobicContact CB-CZ2 4.15Å; V391-W393 HydrophobicContact CG1-CZ2 4.12Å
392	R	88.8	Confident	78.6	Confident	108 Å²	108	49.1 Å²	49.1	41%	0.408	28%	0.278	S	S	.	.			trans	-138.9	100.2	173.9	-178.2	178.2	174	159.3	1.7	110.4	R293 A303 S307	R293-R392 VanDerWaalsContact NH1-NH2 3.18Å; A303-R392 CarbonylContact C-O 3.59Å; S307-R392 PolarHBondContact OG-N 2.95Å; S307-R392 PolarHBondContact OG-O 3.33Å; S307-R392 VanDerWaalsContact OG-O 3.08Å
393	W	90.8	Very high	80.6	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.015	26%	0.255	C	S	.	.			trans	-83.5	138.5	177.2	-52.1	106.3	0	0	0	110.9	D304 A308 V391 C396 Q397 R405 Y406	D304-W393 HydrophobicContact CB-CE3 4.29Å; D304-W393 HydrophobicContact CB-CZ3 4.47Å; D304-W393 WeakPolarHBondContact O-CZ3 3.34Å; D304-W393 WeakPolarHBondContact OD1-CA 3.36Å; A308-W393 HydrophobicContact CB-CH2 4.41Å; V391-W393 HydrophobicContact CB-CZ2 4.15Å; V391-W393 HydrophobicContact CG1-CZ2 4.12Å; W393-C396 HydrophobicContact CD2-CB 4.48Å; W393-C396 HydrophobicContact CE3-CB 3.82Å; W393-C396 HydrophobicContact CZ3-CB 4.5Å; W393-Q397 HydrophobicContact CB-CB 4.23Å; W393-R405 HydrophobicContact CD2-CB 4.28Å; W393-R405 HydrophobicContact CG-CB 4.29Å; W393-R405 HydrophobicContact CG-CG 4.11Å; W393-R405 HydrophobicContact CZ2-CB 4.47Å; W393-Y406 HydrophobicContact CH2-CD2 4.11Å; W393-Y406 HydrophobicContact CZ2-CD2 4.42Å
394	V	92.4	Very high	83.1	Confident	11 Å²	11	42.1 Å²	42.1	7%	0.067	23%	0.227	C	C	.	.	S	Bend	trans	-124	-75.6	173.8	-179.3	0	0	0	0	108.6	F295 Y301 A303 D304 C396 Q397	F295-V394 HydrophobicContact CB-CG1 4.06Å; F295-V394 VanDerWaalsContact CD1-O 3.22Å; F295-V394 WeakPolarHBondContact CD1-O 3.47Å; F295-V394 WeakPolarHBondContact CE1-O 3.27Å; Y301-V394 HydrophobicContact CD1-CB 4.33Å; Y301-V394 HydrophobicContact CD1-CG1 3.74Å; Y301-V394 HydrophobicContact CD2-CB 4.38Å; Y301-V394 HydrophobicContact CD2-CG1 4.02Å; Y301-V394 HydrophobicContact CE1-CG1 3.87Å; Y301-V394 HydrophobicContact CE2-CG1 4.16Å; Y301-V394 HydrophobicContact CG-CB 4.05Å; Y301-V394 HydrophobicContact CG-CG1 3.81Å; A303-V394 HydrophobicContact CB-CG2 3.86Å; D304-V394 PolarHBondContact OD1-N 3.28Å; V394-C396 PolarHBondContact O-N 3.29Å; V394-Q397 WeakPolarHBondContact O-CB 3.37Å; V394-Q397 PolarHBondContact O-N 3.43Å
395	G	92.6	Very high	85.1	Confident	9 Å²	9	37.8 Å²	37.8	9%	0.093	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-23.2	176.9	0	0	0	0	0	113.1	F295 D304 R404	F295-G395 WeakPolarHBondContact CE2-O 3.5Å; F295-G395 VanDerWaalsContact CZ-O 3.26Å; F295-G395 WeakPolarHBondContact CZ-O 3.39Å; D304-G395 PolarHBondContact OD1-N 3.03Å; D304-G395 VanDerWaalsContact OD2-CA 3.26Å; D304-G395 WeakPolarHBondContact OD2-CA 3.46Å; D304-G395 PolarHBondContact OD2-N 2.84Å; G395-R404 VanDerWaalsContact O-CZ 3.25Å; G395-R404 PolarHBondContact O-NH1 2.96Å; G395-R404 PolarHBondContact O-NH2 3.38Å
396	C	95.3	Very high	86.7	Confident	2 Å²	2	36 Å²	36	1%	0.014	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	9.8	175.7	-72.3	0	0	0	0	114.1	D304 W393 V394 G398 R404 R405 C408 G409	D304-C396 HydrophobicContact CB-CB 4.48Å; D304-C396 WeakPolarHBondContact OD1-CB 3.34Å; D304-C396 PolarHBondContact OD1-N 3.5Å; D304-C396 VanDerWaalsContact OD1-N 3.15Å; D304-C396 PolarHBondContact OD2-N 3.15Å; W393-C396 HydrophobicContact CD2-CB 4.48Å; W393-C396 HydrophobicContact CE3-CB 3.82Å; W393-C396 HydrophobicContact CZ3-CB 4.5Å; V394-C396 PolarHBondContact O-N 3.29Å; C396-G398 PolarHBondContact O-N 3.14Å; C396-R404 WeakPolarHBondContact O-CB 3.33Å; C396-R405 WeakPolarHBondContact O-CA 3.5Å; C396-R405 PolarHBondContact O-N 2.86Å; C396-C408 WeakPolarHBondContact CA-SG 3.37Å; C396-C408 HydrophobicContact CB-CB 3.57Å; C396-C408 WeakPolarHBondContact CB-SG 3.42Å; C396-C408 WeakPolarHBondContact SG-CB 3.35Å; C396-C408 CovalentContact SG-SG 2.05Å; C396-C408 PolarHBondContact SG-SG 3.13Å; C396-G409 PolarHBondContact SG-N 3.37Å; C396-G409 VanDerWaalsContact SG-N 3.36Å
397	Q	93	Very high	88.1	Confident	8 Å²	8	37.2 Å²	37.2	4%	0.037	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-66.2	126.6	172.3	-174.4	171.9	-2.7	0	0	109.7	P291 W292 W393 V394 R404	P291-Q397 PolarHBondContact O-NE2 2.81Å; W292-Q397 HydrophobicContact CZ3-CG 4.41Å; W393-Q397 HydrophobicContact CB-CB 4.23Å; V394-Q397 WeakPolarHBondContact O-CB 3.37Å; V394-Q397 PolarHBondContact O-N 3.43Å; Q397-R404 PolarHBondContact O-NH1 3.45Å
398	G	90.4	Very high	89.1	Confident	4 Å²	4	38.1 Å²	38.1	4%	0.041	20%	0.199	C	C	.	.			trans	-86.1	163.5	172.2	0	0	0	0	0	112.2	W292 C396 Q400 D492	W292-G398 WeakPolarHBondContact CZ3-O 3.32Å; C396-G398 PolarHBondContact O-N 3.14Å; G398-Q400 PolarHBondContact O-N 3.44Å; G398-D492 WeakPolarHBondContact CA-OD2 3.4Å
399	S	88.6	Confident	90.3	Very high	37 Å²	37	36.2 Å²	36.2	26%	0.259	19%	0.187	S	C	.	.	S	Bend	trans	-61.6	-26.3	172.6	62.2	0	0	0	0	112.3	D492	S399-D492 VanDerWaalsContact CB-OD1 3.31Å; S399-D492 WeakPolarHBondContact CB-OD1 3.5Å; S399-D492 PolarHBondContact N-OD2 2.87Å; S399-D492 VanDerWaalsContact OG-CG 3.23Å; S399-D492 PolarHBondContact OG-OD1 2.93Å; S399-D492 PolarHBondContact OG-OD2 3Å
400	Q	86.2	Confident	91.6	Very high	96 Å²	96	28 Å²	28	45%	0.449	15%	0.149	S	C	.	.	S	Bend	trans	-131.1	159.7	174.1	-57.2	-172.6	27	0	0	111.3	G398 H402 F403	G398-Q400 PolarHBondContact O-N 3.44Å; Q400-H402 VanDerWaalsContact C-N 3.25Å; Q400-H402 PolarHBondContact O-N 3.13Å; Q400-H402 VanDerWaalsContact O-N 3.14Å; Q400-H402 PolarHBondContact OE1-CE1 2.82Å; Q400-F403 HydrophobicContact CB-CD2 3.72Å; Q400-F403 HydrophobicContact CB-CE2 4.06Å; Q400-F403 HydrophobicContact CG-CD2 4.12Å; Q400-F403 HydrophobicContact CG-CE2 4.1Å; Q400-F403 PolarHBondContact O-N 3.22Å; Q400-F403 VanDerWaalsContact O-N 3.09Å
401	P	85.4	Confident	92.6	Very high	48 Å²	48	28.8 Å²	28.8	31%	0.312	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-30.4	-176.1	-28	36.1	0	0	0	115.6	R405	P401-R405 WeakPolarHBondContact O-CD 3.4Å; P401-R405 PolarHBondContact O-NE 3.31Å
402	H	88.3	Confident	93.1	Very high	31 Å²	31	28.2 Å²	28.2	14%	0.144	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-7.2	-179.4	57.7	-96.5	0	0	0	114.1	L33 S66 W67 Q400	L33-H402 HydrophobicContact CD2-CB 3.78Å; S66-H402 VanDerWaalsContact O-CB 3.29Å; S66-H402 WeakPolarHBondContact O-CB 3.17Å; W67-H402 WeakPolarHBondContact CA-O 3.35Å; Q400-H402 VanDerWaalsContact C-N 3.25Å; Q400-H402 PolarHBondContact O-N 3.13Å; Q400-H402 VanDerWaalsContact O-N 3.14Å; Q400-H402 PolarHBondContact OE1-CE1 2.82Å
403	F	91.9	Very high	93.6	Very high	13 Å²	13	23.1 Å²	23.1	6%	0.057	12%	0.122	C	C	.	.	S	Bend	trans	-93.8	146.4	-176.4	-71	-50.5	0	0	0	114.1	Q400 R405 D492	Q400-F403 HydrophobicContact CB-CD2 3.72Å; Q400-F403 HydrophobicContact CB-CE2 4.06Å; Q400-F403 HydrophobicContact CG-CD2 4.12Å; Q400-F403 HydrophobicContact CG-CE2 4.1Å; Q400-F403 PolarHBondContact O-N 3.22Å; Q400-F403 VanDerWaalsContact O-N 3.09Å; F403-R405 WeakPolarHBondContact O-CG 3.32Å; F403-R405 PolarHBondContact O-N 2.81Å; F403-D492 HydrophobicContact CB-CB 3.91Å; F403-D492 WeakPolarHBondContact CB-OD2 3.43Å; F403-D492 HydrophobicContact CD1-CB 4.21Å; F403-D492 HydrophobicContact CD2-CB 4.18Å; F403-D492 HydrophobicContact CG-CB 3.87Å
404	R	93.8	Very high	93.9	Very high	50 Å²	50	23 Å²	23	19%	0.189	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	65.6	-81.2	170.6	-52.3	-179.9	71.4	-136.7	-3.8	115	G395 C396 Q397 Y406 P407 C408 D492 F495	G395-R404 VanDerWaalsContact O-CZ 3.25Å; G395-R404 PolarHBondContact O-NH1 2.96Å; G395-R404 PolarHBondContact O-NH2 3.38Å; C396-R404 WeakPolarHBondContact O-CB 3.33Å; Q397-R404 PolarHBondContact O-NH1 3.45Å; R404-Y406 PolarHBondContact O-N 3.11Å; R404-P407 WeakPolarHBondContact O-CD 3.39Å; R404-C408 HydrophobicContact CB-CB 4.15Å; R404-C408 PolarHBondContact O-N 2.93Å; R404-D492 HydrophobicContact CG-CB 4.14Å; R404-F495 VanDerWaalsContact CD-CD2 3.44Å
405	R	92.9	Very high	94.2	Very high	42 Å²	42	22.7 Å²	22.7	16%	0.158	12%	0.119	C	C	.	.	H	α-helix	trans	23.8	-119.2	177.6	-64.6	-168	-175.7	-108.9	-9.1	115.3	E290 W393 C396 P401 F403 C408 G409	E290-R405 IonicContact OE2-CZ 3.04Å; E290-R405 IonicContact OE2-NH1 2.75Å; E290-R405 PolarHBondContact OE2-NH1 2.69Å; E290-R405 IonicContact OE2-NH2 3.97Å; E290-R405 PolarHBondContact OE2-NH2 3.28Å; W393-R405 HydrophobicContact CD2-CB 4.28Å; W393-R405 HydrophobicContact CG-CB 4.29Å; W393-R405 HydrophobicContact CG-CG 4.11Å; W393-R405 HydrophobicContact CZ2-CB 4.47Å; C396-R405 WeakPolarHBondContact O-CA 3.5Å; C396-R405 PolarHBondContact O-N 2.86Å; P401-R405 WeakPolarHBondContact O-CD 3.4Å; P401-R405 PolarHBondContact O-NE 3.31Å; F403-R405 WeakPolarHBondContact O-CG 3.32Å; F403-R405 PolarHBondContact O-N 2.81Å; R405-C408 WeakPolarHBondContact O-CB 3.5Å; R405-C408 PolarHBondContact O-N 3.38Å; R405-C408 VanDerWaalsContact O-N 3.1Å; R405-G409 PolarHBondContact O-N 3.13Å
406	Y	96.4	Very high	94.5	Very high	1 Å²	1	22.2 Å²	22.2	0%	0.004	12%	0.115	C	C	.	.	H	α-helix	trans	-58.2	-47	-171.8	180	-117.6	0	0	0	113.3	W67 Y311 S312 E316 W393 R404 C408 G409 V410 Y439 F444	W67-Y406 HydrophobicContact CD2-CD1 4.37Å; W67-Y406 AromaticContact CE2-CD1 3.99Å; W67-Y406 HydrophobicContact CE3-CD1 4.5Å; W67-Y406 AromaticContact CH2-CD1 3.92Å; W67-Y406 HydrophobicContact CH2-CD1 3.92Å; W67-Y406 HydrophobicContact CH2-CE1 4.32Å; W67-Y406 AromaticContact CZ2-CD1 3.77Å; W67-Y406 HydrophobicContact CZ2-CD1 3.77Å; W67-Y406 HydrophobicContact CZ2-CE1 4.35Å; W67-Y406 HydrophobicContact CZ3-CD1 4.28Å; Y311-Y406 AromaticContact CD1-CD1 3.5Å; Y311-Y406 HydrophobicContact CD1-CD1 3.5Å; Y311-Y406 VanDerWaalsContact CD1-CD1 3.5Å; Y311-Y406 AromaticContact CD1-CD2 3.34Å; Y311-Y406 HydrophobicContact CD1-CD2 3.34Å; Y311-Y406 AromaticContact CD1-CE1 3.57Å; Y311-Y406 HydrophobicContact CD1-CE1 3.57Å; Y311-Y406 AromaticContact CD1-CE2 3.44Å; Y311-Y406 HydrophobicContact CD1-CE2 3.44Å; Y311-Y406 VanDerWaalsContact CD1-CE2 3.44Å; Y311-Y406 AromaticContact CD1-CG 3.38Å; Y311-Y406 HydrophobicContact CD1-CG 3.38Å; Y311-Y406 AromaticContact CD1-CZ 3.55Å; Y311-Y406 AromaticContact CE1-CD1 3.53Å; Y311-Y406 HydrophobicContact CE1-CD1 3.53Å; Y311-Y406 HydrophobicContact CE1-CD2 4.19Å; Y311-Y406 AromaticContact CE1-CE1 3.79Å; Y311-Y406 HydrophobicContact CE1-CE1 3.79Å; Y311-Y406 HydrophobicContact CE1-CE2 4.43Å; Y311-Y406 AromaticContact CE1-CG 3.75Å; Y311-Y406 HydrophobicContact CE1-CG 3.75Å; Y311-Y406 HydrophobicContact CG-CD1 4.44Å; Y311-Y406 AromaticContact CG-CD2 3.59Å; Y311-Y406 HydrophobicContact CG-CD2 3.59Å; Y311-Y406 AromaticContact CG-CE2 3.91Å; Y311-Y406 HydrophobicContact CG-CE2 3.91Å; Y311-Y406 AromaticContact CG-CG 3.89Å; Y311-Y406 HydrophobicContact CG-CG 3.89Å; S312-Y406 WeakPolarHBondContact CA-OH 3.31Å; S312-Y406 WeakPolarHBondContact CB-OH 3.48Å; E316-Y406 HydrophobicContact CG-CE1 3.62Å; E316-Y406 WeakPolarHBondContact CG-OH 3.24Å; W393-Y406 HydrophobicContact CH2-CD2 4.11Å; W393-Y406 HydrophobicContact CZ2-CD2 4.42Å; R404-Y406 PolarHBondContact O-N 3.11Å; Y406-C408 VanDerWaalsContact C-N 3.32Å; Y406-C408 PolarHBondContact O-N 3.39Å; Y406-G409 WeakPolarHBondContact O-CA 3.32Å; Y406-G409 PolarHBondContact O-N 3.23Å; Y406-V410 HydrophobicContact CD1-CG2 4.27Å; Y406-V410 HydrophobicContact CD2-CG2 3.94Å; Y406-V410 HydrophobicContact CE1-CG2 3.79Å; Y406-V410 HydrophobicContact CE2-CG2 3.39Å; Y406-V410 HydrophobicContact CG-CG2 4.33Å; Y406-V410 WeakPolarHBondContact O-CG2 3.42Å; Y406-V410 PolarHBondContact O-N 2.76Å; Y406-Y439 PolarHBondContact OH-OH 3.01Å; Y406-F444 HydrophobicContact CD1-CE2 4.17Å; Y406-F444 HydrophobicContact CE1-CD2 4.08Å; Y406-F444 AromaticContact CE1-CE2 3.78Å; Y406-F444 HydrophobicContact CE1-CE2 3.78Å
407	P	97.8	Very high	94.6	Very high	30 Å²	30	22.1 Å²	22.1	20%	0.195	11%	0.114	C	C	.	.	H	α-helix	trans	-53.1	-44.5	172.2	-29.6	34.4	0	0	0	114.3	W67 R404 G409 V410 W411	W67-P407 HydrophobicContact CB-CG 4.45Å; W67-P407 HydrophobicContact CD2-CG 4.17Å; W67-P407 HydrophobicContact CE3-CG 3.38Å; W67-P407 HydrophobicContact CZ3-CG 4.01Å; R404-P407 WeakPolarHBondContact O-CD 3.39Å; P407-G409 VanDerWaalsContact C-N 3.34Å; P407-V410 PolarHBondContact O-N 3.08Å; P407-W411 PolarHBondContact O-N 3.13Å; P407-W411 VanDerWaalsContact O-N 3.1Å
408	C	97.9	Very high	94.9	Very high	25 Å²	25	22 Å²	22	17%	0.169	11%	0.114	C	C	.	.	H	α-helix	trans	-62.3	-42.8	175.7	170.6	0	0	0	0	111.5	C396 R404 R405 Y406 W411 T412	C396-C408 WeakPolarHBondContact CA-SG 3.37Å; C396-C408 HydrophobicContact CB-CB 3.57Å; C396-C408 WeakPolarHBondContact CB-SG 3.42Å; C396-C408 WeakPolarHBondContact SG-CB 3.35Å; C396-C408 CovalentContact SG-SG 2.05Å; C396-C408 PolarHBondContact SG-SG 3.13Å; R404-C408 HydrophobicContact CB-CB 4.15Å; R404-C408 PolarHBondContact O-N 2.93Å; R405-C408 WeakPolarHBondContact O-CB 3.5Å; R405-C408 PolarHBondContact O-N 3.38Å; R405-C408 VanDerWaalsContact O-N 3.1Å; Y406-C408 VanDerWaalsContact C-N 3.32Å; Y406-C408 PolarHBondContact O-N 3.39Å; C408-W411 PolarHBondContact O-N 2.86Å; C408-T412 WeakPolarHBondContact O-CB 3.26Å; C408-T412 PolarHBondContact O-N 3.38Å; C408-T412 PolarHBondContact O-OG1 3.38Å
409	G	97.4	Very high	95.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.2	-44.3	177.1	0	0	0	0	0	112.8	C396 R405 Y406 P407 T412 L413	C396-G409 PolarHBondContact SG-N 3.37Å; C396-G409 VanDerWaalsContact SG-N 3.36Å; R405-G409 PolarHBondContact O-N 3.13Å; Y406-G409 WeakPolarHBondContact O-CA 3.32Å; Y406-G409 PolarHBondContact O-N 3.23Å; P407-G409 VanDerWaalsContact C-N 3.34Å; G409-T412 PolarHBondContact O-N 2.95Å; G409-L413 VanDerWaalsContact O-CB 3.29Å; G409-L413 WeakPolarHBondContact O-CB 3.5Å; G409-L413 PolarHBondContact O-N 2.84Å
410	V	98.1	Very high	95.6	Very high	7 Å²	7	21.2 Å²	21.2	4%	0.042	11%	0.105	C	C	.	.	H	α-helix	trans	-64.6	-45	178.7	173.8	0	0	0	0	111.6	Y406 P407 T412 L413 F414 F444	Y406-V410 HydrophobicContact CD1-CG2 4.27Å; Y406-V410 HydrophobicContact CD2-CG2 3.94Å; Y406-V410 HydrophobicContact CE1-CG2 3.79Å; Y406-V410 HydrophobicContact CE2-CG2 3.39Å; Y406-V410 HydrophobicContact CG-CG2 4.33Å; Y406-V410 WeakPolarHBondContact O-CG2 3.42Å; Y406-V410 PolarHBondContact O-N 2.76Å; P407-V410 PolarHBondContact O-N 3.08Å; V410-T412 VanDerWaalsContact C-N 3.35Å; V410-T412 PolarHBondContact O-N 2.94Å; V410-L413 PolarHBondContact O-N 3.27Å; V410-F414 HydrophobicContact CG1-CD2 3.82Å; V410-F414 HydrophobicContact CG1-CE2 3.81Å; V410-F414 VanDerWaalsContact O-CD2 3.32Å; V410-F414 WeakPolarHBondContact O-CD2 3.42Å; V410-F414 PolarHBondContact O-N 2.74Å; V410-F414 VanDerWaalsContact O-N 3.09Å; V410-F444 HydrophobicContact CG2-CE2 4.44Å
411	W	98.6	Very high	96.1	Very high	42 Å²	42	16.8 Å²	16.8	16%	0.159	9%	0.085	C	C	.	.	H	α-helix	trans	-59	-48.2	174.1	-83	115.3	0	0	0	111.5	P407 C408 L413 F414 H415 M436 F453 L474 H478 V481	P407-W411 PolarHBondContact O-N 3.13Å; P407-W411 VanDerWaalsContact O-N 3.1Å; C408-W411 PolarHBondContact O-N 2.86Å; W411-L413 VanDerWaalsContact C-N 3.33Å; W411-L413 PolarHBondContact O-N 3.46Å; W411-F414 PolarHBondContact O-N 2.94Å; W411-H415 AromaticContact CE3-NE2 3.92Å; W411-H415 PolarHBondContact O-CD2 3.43Å; W411-H415 PolarHBondContact O-N 2.49Å; W411-M436 HydrophobicContact CE3-CE 4.13Å; W411-M436 HydrophobicContact CH2-CE 4.44Å; W411-M436 HydrophobicContact CZ3-CE 3.95Å; W411-F453 HydrophobicContact CH2-CD2 4.08Å; W411-F453 HydrophobicContact CH2-CE2 4.01Å; W411-F453 HydrophobicContact CZ3-CE2 4.42Å; W411-L474 HydrophobicContact CE3-CD1 4.41Å; W411-L474 HydrophobicContact CZ3-CD1 3.72Å; W411-L474 HydrophobicContact CZ3-CG 4.37Å; W411-H478 AromaticContact CD1-NE2 3.7Å; W411-H478 AromaticContact CD2-CD2 3.61Å; W411-H478 AromaticContact CD2-CE1 3.88Å; W411-H478 AromaticContact CD2-CG 3.87Å; W411-H478 AromaticContact CD2-NE2 3.62Å; W411-H478 AromaticContact CE2-CD2 3.66Å; W411-H478 AromaticContact CE2-NE2 3.89Å; W411-H478 HydrophobicContact CE3-CB 3.98Å; W411-H478 AromaticContact CE3-CD2 3.88Å; W411-H478 AromaticContact CE3-CG 3.66Å; W411-H478 AromaticContact CE3-ND1 3.88Å; W411-H478 AromaticContact CG-CE1 3.69Å; W411-H478 AromaticContact CG-NE2 3.52Å; W411-H478 HydrophobicContact CH2-CB 4.13Å; W411-H478 HydrophobicContact CZ3-CB 3.71Å; W411-H478 AromaticContact CZ3-CG 3.89Å; W411-H478 AromaticContact NE1-NE2 3.91Å; W411-V481 HydrophobicContact CZ2-CG2 4.22Å
412	T	98.3	Very high	96.6	Very high	25 Å²	25	16.6 Å²	16.6	15%	0.153	8%	0.081	C	C	.	.	H	α-helix	trans	-60.5	-43.5	179.4	-55.4	0	0	0	0	111.3	V300 L305 C408 G409 V410 H415 V416 F533	V300-T412 HydrophobicContact CB-CG2 4.46Å; V300-T412 HydrophobicContact CG1-CG2 3.67Å; V300-T412 HydrophobicContact CG2-CG2 4Å; L305-T412 HydrophobicContact CD2-CG2 4.06Å; C408-T412 WeakPolarHBondContact O-CB 3.26Å; C408-T412 PolarHBondContact O-N 3.38Å; C408-T412 PolarHBondContact O-OG1 3.38Å; G409-T412 PolarHBondContact O-N 2.95Å; V410-T412 VanDerWaalsContact C-N 3.35Å; V410-T412 PolarHBondContact O-N 2.94Å; T412-H415 PolarHBondContact O-N 2.78Å; T412-V416 VanDerWaalsContact O-CG2 3.31Å; T412-V416 WeakPolarHBondContact O-CG2 3.47Å; T412-V416 PolarHBondContact O-N 3.34Å; T412-F533 HydrophobicContact CG2-CE1 4.4Å
413	L	98.6	Very high	96.9	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-56.8	-52.7	177	174.6	62.5	0	0	0	111.4	L305 L309 L338 F342 G409 V410 W411 H415 V416 L417	L305-L413 HydrophobicContact CD2-CB 4.22Å; L305-L413 HydrophobicContact CD2-CD1 4.38Å; L309-L413 HydrophobicContact CD2-CD2 4.27Å; L338-L413 HydrophobicContact CD2-CD1 4.09Å; L338-L413 HydrophobicContact CD2-CD2 4.36Å; F342-L413 HydrophobicContact CD2-CD1 3.68Å; F342-L413 HydrophobicContact CE2-CD1 3.72Å; G409-L413 VanDerWaalsContact O-CB 3.29Å; G409-L413 WeakPolarHBondContact O-CB 3.5Å; G409-L413 PolarHBondContact O-N 2.84Å; V410-L413 PolarHBondContact O-N 3.27Å; W411-L413 VanDerWaalsContact C-N 3.33Å; W411-L413 PolarHBondContact O-N 3.46Å; L413-H415 PolarHBondContact O-N 3.08Å; L413-V416 WeakPolarHBondContact O-CB 3.36Å; L413-V416 PolarHBondContact O-N 3.4Å; L413-L417 HydrophobicContact CD1-CD1 4.01Å; L413-L417 HydrophobicContact CD1-CG 4.19Å; L413-L417 HydrophobicContact CG-CD1 3.94Å; L413-L417 VanDerWaalsContact O-CG 3.26Å; L413-L417 WeakPolarHBondContact O-CG 3.34Å; L413-L417 PolarHBondContact O-N 3.09Å
414	F	98.7	Very high	96.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-70.4	-32.9	-177.4	-76.1	-67.6	0	0	0	113.4	Y334 V410 W411 L417 T418 V432 M436 Y439 L474	Y334-F414 HydrophobicContact CD2-CE1 4.42Å; Y334-F414 HydrophobicContact CD2-CZ 4.05Å; Y334-F414 HydrophobicContact CE2-CE1 4.28Å; Y334-F414 AromaticContact CE2-CZ 3.71Å; Y334-F414 HydrophobicContact CE2-CZ 3.71Å; V410-F414 HydrophobicContact CG1-CD2 3.82Å; V410-F414 HydrophobicContact CG1-CE2 3.81Å; V410-F414 VanDerWaalsContact O-CD2 3.32Å; V410-F414 WeakPolarHBondContact O-CD2 3.42Å; V410-F414 PolarHBondContact O-N 2.74Å; V410-F414 VanDerWaalsContact O-N 3.09Å; W411-F414 PolarHBondContact O-N 2.94Å; F414-L417 HydrophobicContact CD1-CD1 3.82Å; F414-L417 HydrophobicContact CE1-CD1 4.07Å; F414-L417 PolarHBondContact O-N 3.4Å; F414-T418 WeakPolarHBondContact O-CG2 3.41Å; F414-T418 PolarHBondContact O-N 2.9Å; F414-T418 PolarHBondContact O-OG1 3.3Å; F414-V432 HydrophobicContact CD1-CG1 4.29Å; F414-M436 HydrophobicContact CB-CE 4.04Å; F414-M436 HydrophobicContact CB-CG 4.37Å; F414-M436 HydrophobicContact CB-SD 3.55Å; F414-M436 VanDerWaalsContact CB-SD 3.55Å; F414-M436 HydrophobicContact CD1-CB 3.55Å; F414-M436 HydrophobicContact CD1-CG 3.77Å; F414-M436 HydrophobicContact CD1-SD 4.01Å; F414-M436 HydrophobicContact CD2-CB 4.29Å; F414-M436 HydrophobicContact CD2-CE 3.78Å; F414-M436 HydrophobicContact CD2-CG 3.61Å; F414-M436 HydrophobicContact CD2-SD 3.77Å; F414-M436 HydrophobicContact CE1-CB 3.45Å; F414-M436 VanDerWaalsContact CE1-CB 3.45Å; F414-M436 HydrophobicContact CE1-CG 3.87Å; F414-M436 HydrophobicContact CE2-CB 4.2Å; F414-M436 HydrophobicContact CE2-CG 3.7Å; F414-M436 HydrophobicContact CE2-SD 4.47Å; F414-M436 HydrophobicContact CG-CB 3.99Å; F414-M436 HydrophobicContact CG-CE 4.06Å; F414-M436 HydrophobicContact CG-CG 3.64Å; F414-M436 HydrophobicContact CG-SD 3.5Å; F414-M436 VanDerWaalsContact CG-SD 3.5Å; F414-M436 HydrophobicContact CZ-CB 3.79Å; F414-M436 HydrophobicContact CZ-CG 3.83Å; F414-Y439 HydrophobicContact CE2-CD1 4.23Å; F414-Y439 HydrophobicContact CZ-CD1 4.23Å; F414-L474 HydrophobicContact CB-CD2 3.93Å
415	H	98.6	Very high	96.5	Very high	5 Å²	5	23.7 Å²	23.7	2%	0.023	14%	0.136	C	C	.	.	H	α-helix	trans	-60.4	-45.6	169.5	-79.5	-59.7	0	0	0	111.6	W411 T412 L413 L417 T418 V419 H478 F533	W411-H415 AromaticContact CE3-NE2 3.92Å; W411-H415 PolarHBondContact O-CD2 3.43Å; W411-H415 PolarHBondContact O-N 2.49Å; T412-H415 PolarHBondContact O-N 2.78Å; L413-H415 PolarHBondContact O-N 3.08Å; H415-L417 PolarHBondContact O-N 3.49Å; H415-T418 PolarHBondContact O-N 3.31Å; H415-T418 PolarHBondContact O-OG1 2.7Å; H415-V419 PolarHBondContact O-N 3.45Å; H415-V419 VanDerWaalsContact O-N 3.11Å; H415-H478 AromaticContact CD2-ND1 3.77Å; H415-H478 AromaticContact NE2-CG 3.75Å; H415-H478 AromaticContact NE2-ND1 3.08Å; H415-H478 PolarHBondContact NE2-ND1 3.31Å; H415-F533 HydrophobicContact CB-CD1 3.83Å; H415-F533 HydrophobicContact CB-CD2 3.94Å; H415-F533 HydrophobicContact CB-CE1 3.59Å; H415-F533 HydrophobicContact CB-CE2 3.7Å; H415-F533 HydrophobicContact CB-CG 4.01Å; H415-F533 HydrophobicContact CB-CZ 3.53Å; H415-F533 AromaticContact CG-CE2 3.97Å; H415-F533 AromaticContact CG-CZ 3.82Å
416	V	98.4	Very high	95.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.4	-46.8	173.9	170.4	0	0	0	0	111.5	V300 L305 P343 T412 L413 T418 V419 Q420 F533 I538	V300-V416 HydrophobicContact CG1-CG2 4.36Å; L305-V416 HydrophobicContact CD1-CG2 4.44Å; L305-V416 HydrophobicContact CD2-CG2 4.38Å; P343-V416 HydrophobicContact CG-CG1 3.58Å; T412-V416 VanDerWaalsContact O-CG2 3.31Å; T412-V416 WeakPolarHBondContact O-CG2 3.47Å; T412-V416 PolarHBondContact O-N 3.34Å; L413-V416 WeakPolarHBondContact O-CB 3.36Å; L413-V416 PolarHBondContact O-N 3.4Å; V416-T418 PolarHBondContact O-N 3.37Å; V416-V419 PolarHBondContact O-N 2.94Å; V416-Q420 HydrophobicContact CG1-CG 4.05Å; V416-Q420 WeakPolarHBondContact O-CB 3.33Å; V416-Q420 WeakPolarHBondContact O-CG 3.4Å; V416-Q420 PolarHBondContact O-N 2.89Å; V416-F533 HydrophobicContact CG2-CB 4.1Å; V416-F533 HydrophobicContact CG2-CD1 3.79Å; V416-F533 HydrophobicContact CG2-CG 4.4Å; V416-I538 HydrophobicContact CG1-CD1 4.32Å
417	L	98.4	Very high	95.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.9	-41.4	-178.7	-65.7	167.7	0	0	0	112.3	V337 L338 F342 L413 F414 H415 Q420 A421 V432	V337-L417 HydrophobicContact CG1-CD1 4.05Å; V337-L417 HydrophobicContact CG1-CD2 4.45Å; L338-L417 HydrophobicContact CD2-CD1 3.94Å; L338-L417 HydrophobicContact CD2-CD2 4.2Å; F342-L417 HydrophobicContact CB-CD2 4.37Å; L413-L417 HydrophobicContact CD1-CD1 4.01Å; L413-L417 HydrophobicContact CD1-CG 4.19Å; L413-L417 HydrophobicContact CG-CD1 3.94Å; L413-L417 VanDerWaalsContact O-CG 3.26Å; L413-L417 WeakPolarHBondContact O-CG 3.34Å; L413-L417 PolarHBondContact O-N 3.09Å; F414-L417 HydrophobicContact CD1-CD1 3.82Å; F414-L417 HydrophobicContact CE1-CD1 4.07Å; F414-L417 PolarHBondContact O-N 3.4Å; H415-L417 PolarHBondContact O-N 3.49Å; L417-Q420 PolarHBondContact O-N 2.86Å; L417-A421 WeakPolarHBondContact O-CB 3.48Å; L417-A421 PolarHBondContact O-N 3.23Å; L417-V432 HydrophobicContact CB-CG1 3.66Å
418	T	98.1	Very high	94.9	Very high	5 Å²	5	29.8 Å²	29.8	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-64.5	-42	176.9	56.9	0	0	0	0	112.1	F414 H415 V416 A421 N422 V432 L433 L474	F414-T418 WeakPolarHBondContact O-CG2 3.41Å; F414-T418 PolarHBondContact O-N 2.9Å; F414-T418 PolarHBondContact O-OG1 3.3Å; H415-T418 PolarHBondContact O-N 3.31Å; H415-T418 PolarHBondContact O-OG1 2.7Å; V416-T418 PolarHBondContact O-N 3.37Å; T418-A421 PolarHBondContact O-N 2.77Å; T418-N422 PolarHBondContact O-N 3.36Å; T418-V432 HydrophobicContact CG2-CB 4.2Å; T418-V432 HydrophobicContact CG2-CG1 3.72Å; T418-L433 HydrophobicContact CG2-CD2 3.81Å; T418-L433 HydrophobicContact CG2-CG 4.48Å; T418-L474 HydrophobicContact CG2-CD2 3.89Å
419	V	97.8	Very high	94.7	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-67	-40.5	176.2	166.4	0	0	0	0	111.6	H415 V416 N422 N423 V471 F533	H415-V419 PolarHBondContact O-N 3.45Å; H415-V419 VanDerWaalsContact O-N 3.11Å; V416-V419 PolarHBondContact O-N 2.94Å; V419-N422 PolarHBondContact O-N 3.39Å; V419-N423 PolarHBondContact O-N 3.12Å; V419-N423 PolarHBondContact O-ND2 3.2Å; V419-V471 HydrophobicContact CG2-CG1 3.92Å; V419-V471 HydrophobicContact CG2-CG2 4.16Å; V419-F533 HydrophobicContact CB-CB 4.05Å; V419-F533 HydrophobicContact CG1-CB 4.25Å; V419-F533 HydrophobicContact CG2-CB 3.94Å; V419-F533 HydrophobicContact CG2-CD2 4.39Å
420	Q	96.9	Very high	94.6	Very high	22 Å²	22	32.2 Å²	32.2	10%	0.103	19%	0.19	C	C	.	.	H	α-helix	trans	-64	-41.4	176.2	-71.9	-68.3	106.6	0	0	111.9	Y341 V416 L417 N422 N423 I424	Y341-Q420 WeakPolarHBondContact O-CB 3.35Å; V416-Q420 HydrophobicContact CG1-CG 4.05Å; V416-Q420 WeakPolarHBondContact O-CB 3.33Å; V416-Q420 WeakPolarHBondContact O-CG 3.4Å; V416-Q420 PolarHBondContact O-N 2.89Å; L417-Q420 PolarHBondContact O-N 2.86Å; Q420-N422 VanDerWaalsContact C-N 3.33Å; Q420-N422 PolarHBondContact O-N 2.98Å; Q420-N423 PolarHBondContact O-N 3.33Å; Q420-I424 WeakPolarHBondContact O-CG1 3.44Å; Q420-I424 PolarHBondContact O-N 2.88Å
421	A	96.6	Very high	94.6	Very high	3 Å²	3	34 Å²	34	3%	0.025	20%	0.197	C	C	.	.	H	α-helix	trans	-61.7	-41	173.9	0	0	0	0	0	112.2	Y341 L417 T418 G425 D426 V432 L467	Y341-A421 HydrophobicContact CD1-CB 3.91Å; Y341-A421 VanDerWaalsContact CE1-CA 3.47Å; Y341-A421 HydrophobicContact CE1-CB 3.63Å; Y341-A421 HydrophobicContact CE2-CB 4.24Å; Y341-A421 HydrophobicContact CG-CB 4.32Å; L417-A421 WeakPolarHBondContact O-CB 3.48Å; L417-A421 PolarHBondContact O-N 3.23Å; T418-A421 PolarHBondContact O-N 2.77Å; A421-G425 PolarHBondContact O-N 3.24Å; A421-G425 VanDerWaalsContact O-N 3.13Å; A421-D426 PolarHBondContact O-N 3.23Å; A421-V432 HydrophobicContact CB-CG2 3.84Å; A421-L467 HydrophobicContact CB-CD2 4.39Å
422	N	95.4	Very high	94.5	Very high	45 Å²	45	32.3 Å²	32.3	24%	0.241	19%	0.192	C	C	.	.	H	α-helix	trans	-63.2	-41.3	174.3	-175.2	75.1	0	0	0	112.8	T418 V419 Q420 G425 L467 P468 V471	T418-N422 PolarHBondContact O-N 3.36Å; V419-N422 PolarHBondContact O-N 3.39Å; Q420-N422 VanDerWaalsContact C-N 3.33Å; Q420-N422 PolarHBondContact O-N 2.98Å; N422-G425 PolarHBondContact O-N 3.4Å; N422-L467 HydrophobicContact CB-CB 4.06Å; N422-L467 VanDerWaalsContact OD1-CB 3.23Å; N422-L467 WeakPolarHBondContact OD1-CB 3.36Å; N422-P468 WeakPolarHBondContact OD1-CD 3.35Å; N422-P468 WeakPolarHBondContact OD1-CG 3.3Å; N422-V471 HydrophobicContact CB-CG2 4.14Å
423	N	93.7	Very high	94.5	Very high	86 Å²	86	31.1 Å²	31.1	46%	0.46	18%	0.184	S	C	.	.	H	α-helix	trans	-70.8	-33.8	-179.2	-69	-18	0	0	0	113.2	V419 Q420	V419-N423 PolarHBondContact O-N 3.12Å; V419-N423 PolarHBondContact O-ND2 3.2Å; Q420-N423 PolarHBondContact O-N 3.33Å
424	I	92.2	Very high	94.5	Very high	104 Å²	104	35.3 Å²	35.3	53%	0.533	20%	0.202	S	C	.	.	H	α-helix	trans	-75.7	-28.5	177.1	-72.3	160.5	0	0	0	111.3	Y341 Q420	Y341-I424 HydrophobicContact CD1-CD1 3.79Å; Y341-I424 HydrophobicContact CE1-CD1 4.14Å; Q420-I424 WeakPolarHBondContact O-CG1 3.44Å; Q420-I424 PolarHBondContact O-N 2.88Å
425	G	85.8	Confident	94.5	Very high	53 Å²	53	35.4 Å²	35.4	55%	0.546	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	46.7	-179.9	0	0	0	0	0	113.2	A421 N422	A421-G425 PolarHBondContact O-N 3.24Å; A421-G425 VanDerWaalsContact O-N 3.13Å; N422-G425 PolarHBondContact O-N 3.4Å
426	D	78.5	Confident	94.5	Very high	33 Å²	33	35.2 Å²	35.2	18%	0.176	20%	0.202	C	C	.	.			trans	-68.9	163.2	-179.7	-167.1	64.2	0	0	0	114.9	K340 Y341 A421 D428 L467	K340-D426 VanDerWaalsContact CE-OD1 3.3Å; K340-D426 WeakPolarHBondContact CE-OD1 3.49Å; K340-D426 IonicContact NZ-OD1 2.7Å; K340-D426 PolarHBondContact NZ-OD1 3.19Å; K340-D426 IonicContact NZ-OD2 3.32Å; K340-D426 PolarHBondContact NZ-OD2 3.35Å; Y341-D426 HydrophobicContact CE1-CB 4.41Å; Y341-D426 WeakPolarHBondContact OH-CB 3.18Å; Y341-D426 PolarHBondContact OH-OD1 2.79Å; Y341-D426 PolarHBondContact OH-OD2 3.13Å; Y341-D426 VanDerWaalsContact OH-OD2 3.1Å; A421-D426 PolarHBondContact O-N 3.23Å; D426-D428 PolarHBondContact OD2-N 3.4Å; D426-L467 HydrophobicContact CB-CD2 4.47Å; D426-L467 WeakPolarHBondContact O-CD1 3.18Å
427	S	80.9	Confident	94.5	Very high	111 Å²	111	38 Å²	38	78%	0.776	21%	0.213	S	C	*	.	S	Bend	trans	-87.9	-25.5	-174.4	60.4	0	0	0	0	116	P429	S427-P429 WeakPolarHBondContact O-CD 3.19Å
428	D	94	Very high	94.4	Very high	57 Å²	57	40.5 Å²	40.5	31%	0.305	23%	0.226	S	C	.	.			trans	-106.6	102.5	175.4	-176.4	6.4	0	0	0	111.5	D426 K430 E431 K434	D426-D428 PolarHBondContact OD2-N 3.4Å; D428-K430 PolarHBondContact O-N 2.72Å; D428-K430 WeakPolarHBondContact OD1-CB 2.91Å; D428-K430 PolarHBondContact OD1-N 2.94Å; D428-E431 HydrophobicContact CB-CB 4.22Å; D428-E431 WeakPolarHBondContact O-CB 3.07Å; D428-E431 PolarHBondContact O-N 3.44Å; D428-E431 VanDerWaalsContact O-N 3.09Å; D428-K434 IonicContact OD1-NZ 2.64Å; D428-K434 IonicContact OD2-NZ 3.16Å; D428-K434 PolarHBondContact OD2-NZ 3.02Å
429	P	93.1	Very high	94.5	Very high	27 Å²	27	40.3 Å²	40.3	18%	0.175	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-22.8	174.7	-29.2	36.6	0	0	0	115.4	S427 V464 A470	S427-P429 WeakPolarHBondContact O-CD 3.19Å; P429-V464 HydrophobicContact CB-CG1 4.27Å; P429-A470 VanDerWaalsContact O-CB 3.23Å; P429-A470 WeakPolarHBondContact O-CB 3.39Å
430	K	96.2	Very high	94.5	Very high	49 Å²	49	40.7 Å²	40.7	21%	0.213	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-5.8	-175.7	-60.4	177.5	-177.2	174.1	0	113.1	D428 V432 L433 K434 D462 V464	D428-K430 PolarHBondContact O-N 2.72Å; D428-K430 WeakPolarHBondContact OD1-CB 2.91Å; D428-K430 PolarHBondContact OD1-N 2.94Å; K430-V432 PolarHBondContact O-N 3.2Å; K430-L433 PolarHBondContact O-N 3.45Å; K430-K434 HydrophobicContact CB-CD 3.95Å; K430-K434 VanDerWaalsContact CB-CE 3.5Å; K430-K434 HydrophobicContact CB-CG 4.12Å; K430-K434 WeakPolarHBondContact O-CB 2.94Å; K430-K434 VanDerWaalsContact O-CG 3.3Å; K430-K434 WeakPolarHBondContact O-CG 3.29Å; K430-K434 PolarHBondContact O-N 3.43Å; K430-D462 PolarHBondContact NZ-O 3.35Å; K430-V464 WeakPolarHBondContact CE-O 3Å; K430-V464 HydrophobicContact CG-CB 4.31Å; K430-V464 HydrophobicContact CG-CG1 4.4Å
431	E	97	Very high	94.5	Very high	43 Å²	43	43 Å²	43	20%	0.201	24%	0.237	C	C	.	.	H	α-helix	trans	-53.4	-56.5	-173	-172.8	-176	-167.1	0	0	111.5	V337 K340 Y341 D428 L433 K434 A435	V337-E431 HydrophobicContact CG2-CG 3.95Å; K340-E431 IonicContact NZ-OE1 2.68Å; K340-E431 IonicContact NZ-OE2 3.72Å; K340-E431 PolarHBondContact NZ-OE2 2.8Å; Y341-E431 WeakPolarHBondContact CE2-OE2 3.24Å; Y341-E431 PolarHBondContact OH-OE2 2.84Å; D428-E431 HydrophobicContact CB-CB 4.22Å; D428-E431 WeakPolarHBondContact O-CB 3.07Å; D428-E431 PolarHBondContact O-N 3.44Å; D428-E431 VanDerWaalsContact O-N 3.09Å; E431-L433 PolarHBondContact O-N 3.31Å; E431-K434 PolarHBondContact O-N 2.91Å; E431-A435 WeakPolarHBondContact O-CB 3.44Å; E431-A435 PolarHBondContact O-N 2.88Å
432	V	98.1	Very high	94.5	Very high	7 Å²	7	43.6 Å²	43.6	4%	0.042	24%	0.24	C	C	.	.	H	α-helix	trans	-62.5	-43.3	-179	-179.1	0	0	0	0	111.7	V337 Y341 F414 L417 T418 A421 K430 A435 M436	V337-V432 HydrophobicContact CG1-CB 4.47Å; V337-V432 HydrophobicContact CG1-CG1 4.26Å; V337-V432 HydrophobicContact CG1-CG2 4.16Å; Y341-V432 HydrophobicContact CD2-CG2 4.01Å; Y341-V432 HydrophobicContact CE2-CG2 4.01Å; F414-V432 HydrophobicContact CD1-CG1 4.29Å; L417-V432 HydrophobicContact CB-CG1 3.66Å; T418-V432 HydrophobicContact CG2-CB 4.2Å; T418-V432 HydrophobicContact CG2-CG1 3.72Å; A421-V432 HydrophobicContact CB-CG2 3.84Å; K430-V432 PolarHBondContact O-N 3.2Å; V432-A435 PolarHBondContact O-N 3.17Å; V432-M436 WeakPolarHBondContact O-CB 3.27Å; V432-M436 PolarHBondContact O-N 3.08Å
433	L	98.3	Very high	94.5	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-72.2	-35.8	-176.2	-61.7	-179.8	0	0	0	112.6	T418 K430 E431 M436 R437 L461 V464 A470 W473 L474	T418-L433 HydrophobicContact CG2-CD2 3.81Å; T418-L433 HydrophobicContact CG2-CG 4.48Å; K430-L433 PolarHBondContact O-N 3.45Å; E431-L433 PolarHBondContact O-N 3.31Å; L433-M436 PolarHBondContact O-N 2.82Å; L433-R437 WeakPolarHBondContact O-CB 3.33Å; L433-R437 PolarHBondContact O-N 3.42Å; L433-L461 HydrophobicContact CB-CD1 3.44Å; L433-L461 VanDerWaalsContact CB-CD1 3.44Å; L433-L461 HydrophobicContact CD1-CD1 3.6Å; L433-L461 HydrophobicContact CG-CD1 4.16Å; L433-V464 HydrophobicContact CD1-CG1 4.35Å; L433-V464 HydrophobicContact CD1-CG2 4.21Å; L433-A470 HydrophobicContact CD1-CB 3.83Å; L433-A470 HydrophobicContact CG-CB 4.41Å; L433-W473 HydrophobicContact CD1-CB 4.5Å; L433-W473 HydrophobicContact CD1-CD2 4.22Å; L433-W473 HydrophobicContact CD1-CE3 3.78Å; L433-W473 HydrophobicContact CD1-CZ3 4.43Å; L433-W473 HydrophobicContact CD2-CE3 3.91Å; L433-W473 HydrophobicContact CD2-CZ3 4.13Å; L433-W473 HydrophobicContact CG-CE3 4.43Å; L433-L474 HydrophobicContact CD2-CB 4.05Å; L433-L474 HydrophobicContact CD2-CD1 4.26Å; L433-L474 HydrophobicContact CD2-CD2 4.39Å; L433-L474 HydrophobicContact CD2-CG 4.47Å
434	K	97.8	Very high	94.7	Very high	88 Å²	88	38.5 Å²	38.5	38%	0.383	21%	0.212	S	C	.	.	H	α-helix	trans	-65.4	-44.6	172	-73.9	168.6	-176.2	160.7	0	110.5	D428 K430 E431 M436 R437 N438 L461	D428-K434 IonicContact OD1-NZ 2.64Å; D428-K434 IonicContact OD2-NZ 3.16Å; D428-K434 PolarHBondContact OD2-NZ 3.02Å; K430-K434 HydrophobicContact CB-CD 3.95Å; K430-K434 VanDerWaalsContact CB-CE 3.5Å; K430-K434 HydrophobicContact CB-CG 4.12Å; K430-K434 WeakPolarHBondContact O-CB 2.94Å; K430-K434 VanDerWaalsContact O-CG 3.3Å; K430-K434 WeakPolarHBondContact O-CG 3.29Å; K430-K434 PolarHBondContact O-N 3.43Å; E431-K434 PolarHBondContact O-N 2.91Å; K434-M436 VanDerWaalsContact C-N 3.33Å; K434-M436 PolarHBondContact O-N 3.41Å; K434-R437 PolarHBondContact O-N 3Å; K434-N438 WeakPolarHBondContact O-CB 3.23Å; K434-N438 PolarHBondContact O-N 3.45Å; K434-L461 HydrophobicContact CG-CD2 4.47Å
435	A	98.3	Very high	94.9	Very high	2 Å²	2	33.6 Å²	33.6	2%	0.017	19%	0.187	C	C	.	.	H	α-helix	trans	-60.6	-43.2	175.3	0	0	0	0	0	111.4	D333 V337 E431 V432 N438 Y439	D333-A435 HydrophobicContact CB-CB 4.24Å; V337-A435 HydrophobicContact CB-CB 4.19Å; V337-A435 HydrophobicContact CG2-CB 3.62Å; E431-A435 WeakPolarHBondContact O-CB 3.44Å; E431-A435 PolarHBondContact O-N 2.88Å; V432-A435 PolarHBondContact O-N 3.17Å; A435-N438 PolarHBondContact O-N 3.22Å; A435-Y439 VanDerWaalsContact O-CB 3.23Å; A435-Y439 WeakPolarHBondContact O-CB 3.35Å; A435-Y439 PolarHBondContact O-N 2.79Å
436	M	98.6	Very high	95.4	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-58.3	-51.8	173.6	-178.1	176.4	-175.3	0	0	112	W411 F414 V432 L433 K434 N438 Y439 I440 F453 L474	W411-M436 HydrophobicContact CE3-CE 4.13Å; W411-M436 HydrophobicContact CH2-CE 4.44Å; W411-M436 HydrophobicContact CZ3-CE 3.95Å; F414-M436 HydrophobicContact CB-CE 4.04Å; F414-M436 HydrophobicContact CB-CG 4.37Å; F414-M436 HydrophobicContact CB-SD 3.55Å; F414-M436 VanDerWaalsContact CB-SD 3.55Å; F414-M436 HydrophobicContact CD1-CB 3.55Å; F414-M436 HydrophobicContact CD1-CG 3.77Å; F414-M436 HydrophobicContact CD1-SD 4.01Å; F414-M436 HydrophobicContact CD2-CB 4.29Å; F414-M436 HydrophobicContact CD2-CE 3.78Å; F414-M436 HydrophobicContact CD2-CG 3.61Å; F414-M436 HydrophobicContact CD2-SD 3.77Å; F414-M436 HydrophobicContact CE1-CB 3.45Å; F414-M436 VanDerWaalsContact CE1-CB 3.45Å; F414-M436 HydrophobicContact CE1-CG 3.87Å; F414-M436 HydrophobicContact CE2-CB 4.2Å; F414-M436 HydrophobicContact CE2-CG 3.7Å; F414-M436 HydrophobicContact CE2-SD 4.47Å; F414-M436 HydrophobicContact CG-CB 3.99Å; F414-M436 HydrophobicContact CG-CE 4.06Å; F414-M436 HydrophobicContact CG-CG 3.64Å; F414-M436 HydrophobicContact CG-SD 3.5Å; F414-M436 VanDerWaalsContact CG-SD 3.5Å; F414-M436 HydrophobicContact CZ-CB 3.79Å; F414-M436 HydrophobicContact CZ-CG 3.83Å; V432-M436 WeakPolarHBondContact O-CB 3.27Å; V432-M436 PolarHBondContact O-N 3.08Å; L433-M436 PolarHBondContact O-N 2.82Å; K434-M436 VanDerWaalsContact C-N 3.33Å; K434-M436 PolarHBondContact O-N 3.41Å; M436-N438 PolarHBondContact O-N 3.23Å; M436-Y439 PolarHBondContact O-N 2.97Å; M436-I440 HydrophobicContact CE-CD1 3.54Å; M436-I440 HydrophobicContact CG-CD1 3.64Å; M436-I440 HydrophobicContact CG-CG1 4.39Å; M436-I440 WeakPolarHBondContact O-CB 3.22Å; M436-I440 VanDerWaalsContact O-CG1 3.3Å; M436-I440 WeakPolarHBondContact O-CG1 3.36Å; M436-I440 PolarHBondContact O-N 2.92Å; M436-I440 HydrophobicContact SD-CD1 4.42Å; M436-F453 HydrophobicContact CE-CD2 4.41Å; M436-F453 HydrophobicContact CE-CE2 3.59Å; M436-F453 HydrophobicContact CE-CZ 3.67Å; M436-F453 HydrophobicContact CG-CE1 4.19Å; M436-F453 HydrophobicContact CG-CZ 3.9Å; M436-F453 HydrophobicContact SD-CE2 4.12Å; M436-F453 HydrophobicContact SD-CZ 3.64Å; M436-L474 HydrophobicContact CE-CD1 3.87Å; M436-L474 HydrophobicContact SD-CD1 3.51Å; M436-L474 VanDerWaalsContact SD-CD1 3.51Å; M436-L474 HydrophobicContact SD-CD2 4.29Å
437	R	98.3	Very high	96.2	Very high	60 Å²	60	32.8 Å²	32.8	23%	0.226	17%	0.165	C	C	.	.	H	α-helix	trans	-57.4	-48.5	178.7	-178.7	-170.6	-179.8	178	-5.8	111.4	L433 K434 I440 H441 F453 E454 A457	L433-R437 WeakPolarHBondContact O-CB 3.33Å; L433-R437 PolarHBondContact O-N 3.42Å; K434-R437 PolarHBondContact O-N 3Å; R437-I440 PolarHBondContact O-N 2.99Å; R437-H441 VanDerWaalsContact O-CB 3.27Å; R437-H441 WeakPolarHBondContact O-CB 3.01Å; R437-H441 PolarHBondContact O-N 3.11Å; R437-F453 HydrophobicContact CB-CE1 4.21Å; R437-E454 WeakPolarHBondContact CG-OE2 3.33Å; R437-E454 IonicContact CZ-OE1 3.95Å; R437-E454 IonicContact CZ-OE2 3.1Å; R437-E454 IonicContact NE-OE1 3.66Å; R437-E454 IonicContact NE-OE2 2.75Å; R437-E454 PolarHBondContact NE-OE2 2.9Å; R437-E454 IonicContact NH2-OE1 3.44Å; R437-E454 PolarHBondContact NH2-OE1 2.77Å; R437-E454 IonicContact NH2-OE2 2.69Å; R437-A457 HydrophobicContact CG-CB 3.99Å
438	N	98.1	Very high	96.9	Very high	52 Å²	52	32.7 Å²	32.7	28%	0.278	15%	0.148	S	C	.	.	H	α-helix	trans	-65.6	-41	-178.8	-70.6	-11.6	0	0	0	111.5	A330 D333 K434 A435 M436 N442	A330-N438 HydrophobicContact CB-CB 3.77Å; D333-N438 PolarHBondContact OD2-ND2 2.91Å; K434-N438 WeakPolarHBondContact O-CB 3.23Å; K434-N438 PolarHBondContact O-N 3.45Å; A435-N438 PolarHBondContact O-N 3.22Å; M436-N438 PolarHBondContact O-N 3.23Å; N438-N442 WeakPolarHBondContact O-CB 3.33Å; N438-N442 PolarHBondContact O-N 3.26Å; N438-N442 VanDerWaalsContact O-N 3.13Å; N438-N442 PolarHBondContact O-ND2 2.7Å
439	Y	98.4	Very high	97	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.7	-52.5	174	173.8	-97.9	0	0	0	111.2	S312 Y334 Y406 F414 A435 M436 H441 N442 F443	S312-Y439 WeakPolarHBondContact CB-OH 3.16Å; Y334-Y439 AromaticContact CD1-CD2 3.78Å; Y334-Y439 HydrophobicContact CD1-CD2 3.78Å; Y334-Y439 HydrophobicContact CD1-CE2 4.11Å; Y334-Y439 HydrophobicContact CD2-CD2 4.05Å; Y334-Y439 HydrophobicContact CD2-CG 4.09Å; Y334-Y439 AromaticContact CE1-CD2 3.95Å; Y334-Y439 HydrophobicContact CE1-CD2 3.95Å; Y334-Y439 AromaticContact CE1-CE2 3.87Å; Y334-Y439 HydrophobicContact CE1-CE2 3.87Å; Y334-Y439 HydrophobicContact CE2-CD2 4.22Å; Y334-Y439 HydrophobicContact CE2-CG 4.25Å; Y334-Y439 AromaticContact CG-CD2 3.83Å; Y334-Y439 HydrophobicContact CG-CD2 3.83Å; Y334-Y439 HydrophobicContact CG-CG 4.28Å; Y406-Y439 PolarHBondContact OH-OH 3.01Å; F414-Y439 HydrophobicContact CE2-CD1 4.23Å; F414-Y439 HydrophobicContact CZ-CD1 4.23Å; A435-Y439 VanDerWaalsContact O-CB 3.23Å; A435-Y439 WeakPolarHBondContact O-CB 3.35Å; A435-Y439 PolarHBondContact O-N 2.79Å; M436-Y439 PolarHBondContact O-N 2.97Å; Y439-H441 VanDerWaalsContact C-N 3.32Å; Y439-H441 PolarHBondContact O-N 3.41Å; Y439-N442 PolarHBondContact O-N 3.04Å; Y439-F443 HydrophobicContact CD2-CB 4.16Å; Y439-F443 AromaticContact CD2-CD2 3.82Å; Y439-F443 HydrophobicContact CD2-CD2 3.82Å; Y439-F443 HydrophobicContact CD2-CG 4.39Å; Y439-F443 HydrophobicContact CE2-CB 3.82Å; Y439-F443 HydrophobicContact CE2-CD2 4.16Å; Y439-F443 HydrophobicContact CE2-CG 4.3Å; Y439-F443 PolarHBondContact O-N 2.74Å
440	I	98.1	Very high	97.2	Very high	11 Å²	11	30.7 Å²	30.7	6%	0.056	14%	0.139	C	C	.	.	H	α-helix	trans	-60.5	-43.7	-178.7	-70.8	172.5	0	0	0	111	M436 R437 N442 F444 A450 F453	M436-I440 HydrophobicContact CE-CD1 3.54Å; M436-I440 HydrophobicContact CG-CD1 3.64Å; M436-I440 HydrophobicContact CG-CG1 4.39Å; M436-I440 WeakPolarHBondContact O-CB 3.22Å; M436-I440 VanDerWaalsContact O-CG1 3.3Å; M436-I440 WeakPolarHBondContact O-CG1 3.36Å; M436-I440 PolarHBondContact O-N 2.92Å; M436-I440 HydrophobicContact SD-CD1 4.42Å; R437-I440 PolarHBondContact O-N 2.99Å; I440-N442 VanDerWaalsContact C-N 3.34Å; I440-N442 PolarHBondContact O-N 3.29Å; I440-F444 HydrophobicContact CB-CB 4.31Å; I440-F444 HydrophobicContact CG1-CB 4.48Å; I440-F444 HydrophobicContact CG2-CB 4.1Å; I440-F444 HydrophobicContact CG2-CD1 4.49Å; I440-F444 VanDerWaalsContact O-CB 3.3Å; I440-F444 WeakPolarHBondContact O-CB 3.36Å; I440-F444 PolarHBondContact O-N 3.45Å; I440-A450 HydrophobicContact CG2-CB 3.7Å; I440-F453 HydrophobicContact CB-CD1 4.24Å; I440-F453 HydrophobicContact CD1-CD1 3.64Å; I440-F453 HydrophobicContact CD1-CD2 4.14Å; I440-F453 HydrophobicContact CD1-CE1 3.74Å; I440-F453 HydrophobicContact CD1-CE2 4.23Å; I440-F453 HydrophobicContact CD1-CG 3.85Å; I440-F453 HydrophobicContact CD1-CZ 4.03Å; I440-F453 HydrophobicContact CG2-CB 4.11Å; I440-F453 HydrophobicContact CG2-CD1 4.06Å; I440-F453 HydrophobicContact CG2-CG 4.29Å
441	H	96.8	Very high	97.3	Very high	69 Å²	69	33.6 Å²	33.6	32%	0.319	15%	0.153	S	C	.	.	H	α-helix	trans	-61.6	-41.3	179.1	-175.7	83.1	0	0	0	112.8	R437 Y439 R447	R437-H441 VanDerWaalsContact O-CB 3.27Å; R437-H441 WeakPolarHBondContact O-CB 3.01Å; R437-H441 PolarHBondContact O-N 3.11Å; Y439-H441 VanDerWaalsContact C-N 3.32Å; Y439-H441 PolarHBondContact O-N 3.41Å; H441-R447 PolarHBondContact O-NH1 3.09Å; H441-R447 PolarHBondContact O-NH2 2.99Å
442	N	96.4	Very high	97.3	Very high	17 Å²	17	33.4 Å²	33.4	9%	0.091	15%	0.152	C	C	.	.	H	α-helix	trans	-94.1	-30.4	-169.7	-75.2	-79.9	0	0	0	114.5	R320 A327 A330 N438 Y439 I440	R320-N442 PolarHBondContact NE-O 3.44Å; R320-N442 PolarHBondContact NH2-O 3.22Å; A327-N442 HydrophobicContact CB-CB 4.33Å; A330-N442 HydrophobicContact CB-CB 4.23Å; N438-N442 WeakPolarHBondContact O-CB 3.33Å; N438-N442 PolarHBondContact O-N 3.26Å; N438-N442 VanDerWaalsContact O-N 3.13Å; N438-N442 PolarHBondContact O-ND2 2.7Å; Y439-N442 PolarHBondContact O-N 3.04Å; I440-N442 VanDerWaalsContact C-N 3.34Å; I440-N442 PolarHBondContact O-N 3.29Å
443	F	96.9	Very high	97.3	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.026	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-30.5	-168.6	-59.8	-69.4	0	0	0	114	L317 I323 A327 A330 L331 Y439 G445	L317-F443 HydrophobicContact CD2-CB 4.34Å; L317-F443 HydrophobicContact CD2-CD1 3.3Å; L317-F443 HydrophobicContact CD2-CD2 3.95Å; L317-F443 HydrophobicContact CD2-CE1 3.35Å; L317-F443 HydrophobicContact CD2-CE2 4.01Å; L317-F443 HydrophobicContact CD2-CG 3.6Å; L317-F443 HydrophobicContact CD2-CZ 3.71Å; I323-F443 HydrophobicContact CG2-CE1 4.47Å; I323-F443 HydrophobicContact CG2-CZ 4.17Å; A327-F443 HydrophobicContact CB-CE1 4.4Å; A327-F443 HydrophobicContact CB-CZ 4.01Å; A327-F443 VanDerWaalsContact O-CZ 3.26Å; A327-F443 WeakPolarHBondContact O-CZ 3.43Å; A330-F443 HydrophobicContact CB-CE2 4.02Å; L331-F443 HydrophobicContact CB-CE2 4.19Å; L331-F443 HydrophobicContact CB-CZ 4.08Å; Y439-F443 HydrophobicContact CD2-CB 4.16Å; Y439-F443 AromaticContact CD2-CD2 3.82Å; Y439-F443 HydrophobicContact CD2-CD2 3.82Å; Y439-F443 HydrophobicContact CD2-CG 4.39Å; Y439-F443 HydrophobicContact CE2-CB 3.82Å; Y439-F443 HydrophobicContact CE2-CD2 4.16Å; Y439-F443 HydrophobicContact CE2-CG 4.3Å; Y439-F443 PolarHBondContact O-N 2.74Å; F443-G445 PolarHBondContact O-N 2.91Å; F443-G445 VanDerWaalsContact O-N 3.16Å
444	F	97.6	Very high	97.2	Very high	18 Å²	18	34.4 Å²	34.4	8%	0.079	16%	0.156	C	C	.	.			trans	-61.7	120.4	-174.2	-164.9	-116.2	0	0	0	112.3	W67 E316 Y406 V410 I440 C446 C449 A450	W67-F444 HydrophobicContact CH2-CE2 4.17Å; W67-F444 HydrophobicContact CH2-CZ 4.3Å; W67-F444 HydrophobicContact CZ3-CE1 4.43Å; W67-F444 HydrophobicContact CZ3-CE2 4.08Å; W67-F444 AromaticContact CZ3-CZ 3.81Å; W67-F444 HydrophobicContact CZ3-CZ 3.81Å; E316-F444 WeakPolarHBondContact OE2-CA 3.31Å; Y406-F444 HydrophobicContact CD1-CE2 4.17Å; Y406-F444 HydrophobicContact CE1-CD2 4.08Å; Y406-F444 AromaticContact CE1-CE2 3.78Å; Y406-F444 HydrophobicContact CE1-CE2 3.78Å; V410-F444 HydrophobicContact CG2-CE2 4.44Å; I440-F444 HydrophobicContact CB-CB 4.31Å; I440-F444 HydrophobicContact CG1-CB 4.48Å; I440-F444 HydrophobicContact CG2-CB 4.1Å; I440-F444 HydrophobicContact CG2-CD1 4.49Å; I440-F444 VanDerWaalsContact O-CB 3.3Å; I440-F444 WeakPolarHBondContact O-CB 3.36Å; I440-F444 PolarHBondContact O-N 3.45Å; F444-C446 HydrophobicContact CD1-CB 4.12Å; F444-C446 HydrophobicContact CE1-CB 3.76Å; F444-C446 PolarHBondContact O-N 3.33Å; F444-C449 HydrophobicContact CD1-CB 4.27Å; F444-C449 HydrophobicContact CE1-CB 3.76Å; F444-A450 HydrophobicContact CD1-CB 4.46Å
445	G	95.3	Very high	97.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	-63.6	-40.2	-169.6	0	0	0	0	0	113.5	G115 Y116 E316 F443 R447	G115-G445 CarbonylContact C-O 3.6Å; G115-G445 WeakPolarHBondContact CA-O 3.46Å; Y116-G445 PolarHBondContact N-O 3.16Å; E316-G445 PolarHBondContact OE2-N 3.26Å; F443-G445 PolarHBondContact O-N 2.91Å; F443-G445 VanDerWaalsContact O-N 3.16Å; G445-R447 PolarHBondContact O-N 2.9Å
446	C	96.9	Very high	97.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-71.4	95.2	174.4	179	0	0	0	0	110.7	W67 C68 F444 Y448 C449 A450	W67-C446 HydrophobicContact CZ3-CB 4.2Å; C68-C446 HydrophobicContact CB-CB 4.32Å; C68-C446 WeakPolarHBondContact SG-CB 3.06Å; C68-C446 PolarHBondContact SG-SG 3.29Å; F444-C446 HydrophobicContact CD1-CB 4.12Å; F444-C446 HydrophobicContact CE1-CB 3.76Å; F444-C446 PolarHBondContact O-N 3.33Å; C446-Y448 PolarHBondContact O-N 3.33Å; C446-C449 HydrophobicContact CB-CB 3.63Å; C446-C449 WeakPolarHBondContact CB-SG 2.98Å; C446-C449 WeakPolarHBondContact O-CB 3.3Å; C446-C449 PolarHBondContact O-N 2.67Å; C446-C449 WeakPolarHBondContact SG-CB 3.36Å; C446-C449 PolarHBondContact SG-N 3Å; C446-C449 CovalentContact SG-SG 2.04Å; C446-C449 PolarHBondContact SG-SG 3.35Å; C446-A450 PolarHBondContact O-N 2.76Å
447	R	95.1	Very high	97	Very high	69 Å²	69	34 Å²	34	26%	0.26	16%	0.158	S	C	.	.	H	α-helix	trans	-63.4	-41.7	-177	-63.8	-51.5	-54.1	172	-2.9	112.9	H441 G445 C449 A450 E451	H441-R447 PolarHBondContact O-NH1 3.09Å; H441-R447 PolarHBondContact O-NH2 2.99Å; G445-R447 PolarHBondContact O-N 2.9Å; R447-C449 VanDerWaalsContact C-N 3.31Å; R447-C449 PolarHBondContact O-N 2.91Å; R447-A450 WeakPolarHBondContact O-CB 3.22Å; R447-A450 PolarHBondContact O-N 3.39Å; R447-A450 VanDerWaalsContact O-N 3.14Å; R447-E451 WeakPolarHBondContact O-CG 3.44Å; R447-E451 PolarHBondContact O-N 3.12Å
448	Y	94.9	Very high	96.8	Very high	109 Å²	109	38.3 Å²	38.3	43%	0.427	18%	0.175	S	C	.	.	H	α-helix	trans	-58.6	-41.9	174.7	-179.8	-102.6	0	0	0	112.5	H70 C446 H452	H70-Y448 HydrophobicContact CB-CD1 4.08Å; H70-Y448 HydrophobicContact CB-CG 4.21Å; H70-Y448 AromaticContact CG-CG 3.94Å; C446-Y448 PolarHBondContact O-N 3.33Å; Y448-H452 AromaticContact CD1-CE1 3.94Å; Y448-H452 AromaticContact CD1-ND1 3.75Å; Y448-H452 AromaticContact CE1-CE1 3.22Å; Y448-H452 WeakPolarHBondContact CE1-CE1 3.1Å; Y448-H452 AromaticContact CE1-ND1 3.46Å; Y448-H452 WeakPolarHBondContact CE1-ND1 3.5Å; Y448-H452 AromaticContact CE2-CE1 3.65Å; Y448-H452 AromaticContact CZ-CE1 3.07Å; Y448-H452 AromaticContact CZ-ND1 3.75Å; Y448-H452 AromaticContact CZ-NE2 3.94Å; Y448-H452 WeakPolarHBondContact O-CB 3.27Å; Y448-H452 VanDerWaalsContact O-CG 3.31Å; Y448-H452 PolarHBondContact O-N 2.97Å; Y448-H452 PolarHBondContact O-ND1 3.03Å; Y448-H452 PolarHBondContact OH-CE1 3.22Å
449	C	97.3	Very high	96.5	Very high	40 Å²	40	41.1 Å²	41.1	27%	0.27	19%	0.186	S	C	.	.	H	α-helix	trans	-66.9	-41.7	175.6	-49.4	0	0	0	0	111.3	F444 C446 R447 H452 F453	F444-C449 HydrophobicContact CD1-CB 4.27Å; F444-C449 HydrophobicContact CE1-CB 3.76Å; C446-C449 HydrophobicContact CB-CB 3.63Å; C446-C449 WeakPolarHBondContact CB-SG 2.98Å; C446-C449 WeakPolarHBondContact O-CB 3.3Å; C446-C449 PolarHBondContact O-N 2.67Å; C446-C449 WeakPolarHBondContact SG-CB 3.36Å; C446-C449 PolarHBondContact SG-N 3Å; C446-C449 CovalentContact SG-SG 2.04Å; C446-C449 PolarHBondContact SG-SG 3.35Å; R447-C449 VanDerWaalsContact C-N 3.31Å; R447-C449 PolarHBondContact O-N 2.91Å; C449-H452 PolarHBondContact O-N 3.37Å; C449-F453 PolarHBondContact O-N 3.36Å
450	A	97.6	Very high	96.1	Very high	2 Å²	2	41.1 Å²	41.1	2%	0.017	19%	0.186	C	C	.	.	H	α-helix	trans	-64.9	-42.4	179.3	0	0	0	0	0	112.3	I440 F444 C446 R447 F453 E454	I440-A450 HydrophobicContact CG2-CB 3.7Å; F444-A450 HydrophobicContact CD1-CB 4.46Å; C446-A450 PolarHBondContact O-N 2.76Å; R447-A450 WeakPolarHBondContact O-CB 3.22Å; R447-A450 PolarHBondContact O-N 3.39Å; R447-A450 VanDerWaalsContact O-N 3.14Å; A450-F453 PolarHBondContact O-N 2.9Å; A450-E454 WeakPolarHBondContact O-CB 3.47Å; A450-E454 PolarHBondContact O-N 2.78Å
451	E	96.9	Very high	95.9	Very high	110 Å²	110	41 Å²	41	51%	0.514	19%	0.185	S	C	.	.	H	α-helix	trans	-62.6	-42.5	175.5	-76	172.6	-172.6	0	0	111.7	R447 F453 E454 N455	R447-E451 WeakPolarHBondContact O-CG 3.44Å; R447-E451 PolarHBondContact O-N 3.12Å; E451-F453 PolarHBondContact O-N 3.36Å; E451-E454 PolarHBondContact O-N 3.46Å; E451-N455 VanDerWaalsContact O-CG 3.29Å; E451-N455 PolarHBondContact O-N 2.96Å; E451-N455 PolarHBondContact O-ND2 3.31Å
452	H	97.1	Very high	95.7	Very high	40 Å²	40	42.5 Å²	42.5	19%	0.185	20%	0.196	C	C	.	.	H	α-helix	trans	-61.9	-42.7	173.9	-77.7	158.4	0	0	0	113.6	Y448 C449 N455 M456 R484	Y448-H452 AromaticContact CD1-CE1 3.94Å; Y448-H452 AromaticContact CD1-ND1 3.75Å; Y448-H452 AromaticContact CE1-CE1 3.22Å; Y448-H452 WeakPolarHBondContact CE1-CE1 3.1Å; Y448-H452 AromaticContact CE1-ND1 3.46Å; Y448-H452 WeakPolarHBondContact CE1-ND1 3.5Å; Y448-H452 AromaticContact CE2-CE1 3.65Å; Y448-H452 AromaticContact CZ-CE1 3.07Å; Y448-H452 AromaticContact CZ-ND1 3.75Å; Y448-H452 AromaticContact CZ-NE2 3.94Å; Y448-H452 WeakPolarHBondContact O-CB 3.27Å; Y448-H452 VanDerWaalsContact O-CG 3.31Å; Y448-H452 PolarHBondContact O-N 2.97Å; Y448-H452 PolarHBondContact O-ND1 3.03Å; Y448-H452 PolarHBondContact OH-CE1 3.22Å; C449-H452 PolarHBondContact O-N 3.37Å; H452-N455 PolarHBondContact O-N 2.9Å; H452-M456 WeakPolarHBondContact O-CG 3.09Å; H452-M456 PolarHBondContact O-N 2.87Å; H452-M456 VanDerWaalsContact O-N 3.15Å; H452-R484 VanDerWaalsContact CB-NH1 3.33Å; H452-R484 PolarHBondContact CD2-NH1 3.47Å; H452-R484 PolarHBondContact CE1-NH1 3.09Å; H452-R484 VanDerWaalsContact ND1-CZ 3.32Å; H452-R484 PolarHBondContact ND1-NH1 2.95Å; H452-R484 PolarHBondContact ND1-NH2 2.89Å; H452-R484 PolarHBondContact NE2-NH1 3.41Å
453	F	97.9	Very high	95.5	Very high	10 Å²	10	46.8 Å²	46.8	4%	0.044	22%	0.222	C	C	.	.	H	α-helix	trans	-65.1	-41.7	175.2	-174	-92.9	0	0	0	111.5	W411 M436 R437 I440 C449 A450 E451 N455 M456 A457 W473 L474	W411-F453 HydrophobicContact CH2-CD2 4.08Å; W411-F453 HydrophobicContact CH2-CE2 4.01Å; W411-F453 HydrophobicContact CZ3-CE2 4.42Å; M436-F453 HydrophobicContact CE-CD2 4.41Å; M436-F453 HydrophobicContact CE-CE2 3.59Å; M436-F453 HydrophobicContact CE-CZ 3.67Å; M436-F453 HydrophobicContact CG-CE1 4.19Å; M436-F453 HydrophobicContact CG-CZ 3.9Å; M436-F453 HydrophobicContact SD-CE2 4.12Å; M436-F453 HydrophobicContact SD-CZ 3.64Å; R437-F453 HydrophobicContact CB-CE1 4.21Å; I440-F453 HydrophobicContact CB-CD1 4.24Å; I440-F453 HydrophobicContact CD1-CD1 3.64Å; I440-F453 HydrophobicContact CD1-CD2 4.14Å; I440-F453 HydrophobicContact CD1-CE1 3.74Å; I440-F453 HydrophobicContact CD1-CE2 4.23Å; I440-F453 HydrophobicContact CD1-CG 3.85Å; I440-F453 HydrophobicContact CD1-CZ 4.03Å; I440-F453 HydrophobicContact CG2-CB 4.11Å; I440-F453 HydrophobicContact CG2-CD1 4.06Å; I440-F453 HydrophobicContact CG2-CG 4.29Å; C449-F453 PolarHBondContact O-N 3.36Å; A450-F453 PolarHBondContact O-N 2.9Å; E451-F453 PolarHBondContact O-N 3.36Å; F453-N455 VanDerWaalsContact C-N 3.33Å; F453-N455 PolarHBondContact O-N 2.71Å; F453-M456 HydrophobicContact CB-CE 4.48Å; F453-M456 HydrophobicContact CD2-CE 3.94Å; F453-M456 PolarHBondContact O-N 3.26Å; F453-A457 WeakPolarHBondContact O-CB 3.46Å; F453-A457 PolarHBondContact O-N 2.87Å; F453-W473 HydrophobicContact CZ-CH2 4.21Å; F453-W473 HydrophobicContact CZ-CZ3 4.21Å; F453-L474 HydrophobicContact CE2-CD1 4.44Å
454	E	97.6	Very high	95.4	Very high	18 Å²	18	46.7 Å²	46.7	8%	0.084	22%	0.223	C	C	.	.	H	α-helix	trans	-59.9	-41.3	175.7	174.9	59.4	-164	0	0	112	R437 A450 E451 A457 R458	R437-E454 WeakPolarHBondContact CG-OE2 3.33Å; R437-E454 IonicContact CZ-OE1 3.95Å; R437-E454 IonicContact CZ-OE2 3.1Å; R437-E454 IonicContact NE-OE1 3.66Å; R437-E454 IonicContact NE-OE2 2.75Å; R437-E454 PolarHBondContact NE-OE2 2.9Å; R437-E454 IonicContact NH2-OE1 3.44Å; R437-E454 PolarHBondContact NH2-OE1 2.77Å; R437-E454 IonicContact NH2-OE2 2.69Å; A450-E454 WeakPolarHBondContact O-CB 3.47Å; A450-E454 PolarHBondContact O-N 2.78Å; E451-E454 PolarHBondContact O-N 3.46Å; E454-A457 PolarHBondContact O-N 3.32Å; E454-R458 WeakPolarHBondContact O-CG 3.5Å; E454-R458 PolarHBondContact O-N 2.83Å; E454-R458 IonicContact OE1-CZ 3.6Å; E454-R458 IonicContact OE1-NE 3.26Å; E454-R458 PolarHBondContact OE1-NE 3.34Å; E454-R458 IonicContact OE1-NH2 3.73Å; E454-R458 PolarHBondContact OE1-NH2 3.39Å
455	N	97	Very high	95.3	Very high	78 Å²	78	51.5 Å²	51.5	42%	0.417	25%	0.254	S	S	.	.	H	α-helix	trans	-62.2	-46.2	174.7	-69.3	-19.8	0	0	0	111.5	E451 H452 F453 A457 R458 E459	E451-N455 VanDerWaalsContact O-CG 3.29Å; E451-N455 PolarHBondContact O-N 2.96Å; E451-N455 PolarHBondContact O-ND2 3.31Å; H452-N455 PolarHBondContact O-N 2.9Å; F453-N455 VanDerWaalsContact C-N 3.33Å; F453-N455 PolarHBondContact O-N 2.71Å; N455-A457 VanDerWaalsContact C-N 3.27Å; N455-A457 PolarHBondContact O-N 2.7Å; N455-R458 PolarHBondContact O-N 3.41Å; N455-E459 WeakPolarHBondContact O-CG 3.49Å; N455-E459 PolarHBondContact O-N 2.96Å; N455-E459 VanDerWaalsContact O-N 3.09Å
456	M	96.1	Very high	95.3	Very high	6 Å²	6	53.9 Å²	53.9	3%	0.03	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-36.2	175.2	-70.4	-168.8	-61.5	0	0	112.6	H452 F453 R477 V481	H452-M456 WeakPolarHBondContact O-CG 3.09Å; H452-M456 PolarHBondContact O-N 2.87Å; H452-M456 VanDerWaalsContact O-N 3.15Å; F453-M456 HydrophobicContact CB-CE 4.48Å; F453-M456 HydrophobicContact CD2-CE 3.94Å; F453-M456 PolarHBondContact O-N 3.26Å; M456-R477 HydrophobicContact CB-CG 4.47Å; M456-R477 HydrophobicContact CE-CB 4.29Å; M456-R477 HydrophobicContact SD-CB 4.05Å; M456-R477 HydrophobicContact SD-CG 4.48Å; M456-V481 HydrophobicContact CE-CG2 3.54Å; M456-V481 HydrophobicContact SD-CG2 4.09Å
457	A	96.1	Very high	95.2	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-67.3	-41.9	176.6	0	0	0	0	0	111.8	R437 F453 E454 N455 E459 G460 L461 W473	R437-A457 HydrophobicContact CG-CB 3.99Å; F453-A457 WeakPolarHBondContact O-CB 3.46Å; F453-A457 PolarHBondContact O-N 2.87Å; E454-A457 PolarHBondContact O-N 3.32Å; N455-A457 VanDerWaalsContact C-N 3.27Å; N455-A457 PolarHBondContact O-N 2.7Å; A457-E459 VanDerWaalsContact C-N 3.31Å; A457-E459 PolarHBondContact O-N 2.68Å; A457-G460 PolarHBondContact O-N 3.47Å; A457-L461 WeakPolarHBondContact O-CB 3.46Å; A457-L461 PolarHBondContact O-N 2.68Å; A457-W473 HydrophobicContact CB-CH2 4.4Å
458	R	94.6	Very high	95.3	Very high	150 Å²	150	54 Å²	54	57%	0.566	28%	0.278	S	S	*	.	H	α-helix	trans	-64.7	-32.6	175.8	-72.8	175.3	-174.2	-179.4	0.4	113.6	E454 N455 G460	E454-R458 WeakPolarHBondContact O-CG 3.5Å; E454-R458 PolarHBondContact O-N 2.83Å; E454-R458 IonicContact OE1-CZ 3.6Å; E454-R458 IonicContact OE1-NE 3.26Å; E454-R458 PolarHBondContact OE1-NE 3.34Å; E454-R458 IonicContact OE1-NH2 3.73Å; E454-R458 PolarHBondContact OE1-NH2 3.39Å; N455-R458 PolarHBondContact O-N 3.41Å; R458-G460 VanDerWaalsContact C-N 3.32Å; R458-G460 PolarHBondContact O-N 3.44Å
459	E	91.6	Very high	95.3	Very high	110 Å²	110	50.2 Å²	50.2	51%	0.514	27%	0.268	S	S	.	.	H	α-helix	trans	-72.5	-20.8	-178.4	-75.2	171.5	-168.1	0	0	114	N455 A457 R477 R480	N455-E459 WeakPolarHBondContact O-CG 3.49Å; N455-E459 PolarHBondContact O-N 2.96Å; N455-E459 VanDerWaalsContact O-N 3.09Å; A457-E459 VanDerWaalsContact C-N 3.31Å; A457-E459 PolarHBondContact O-N 2.68Å; E459-R477 IonicContact OE2-CZ 2.89Å; E459-R477 IonicContact OE2-NH1 3.08Å; E459-R477 PolarHBondContact OE2-NH1 2.78Å; E459-R480 IonicContact OE1-CZ 3.97Å; E459-R480 IonicContact OE1-NH1 3.64Å; E459-R480 IonicContact OE1-NH2 3.6Å; E459-R480 PolarHBondContact OE1-NH2 2.71Å; E459-R480 VanDerWaalsContact OE1-NH2 3.16Å; E459-R480 IonicContact OE2-CZ 3.13Å; E459-R480 IonicContact OE2-NH1 3.88Å; E459-R480 PolarHBondContact OE2-NH1 3.42Å; E459-R480 IonicContact OE2-NH2 2.92Å
460	G	90.1	Very high	95.3	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-176	23.4	-173.5	0	0	0	0	0	117.4	A457 R458 D462 V463 W473	A457-G460 PolarHBondContact O-N 3.47Å; R458-G460 VanDerWaalsContact C-N 3.32Å; R458-G460 PolarHBondContact O-N 3.44Å; G460-D462 VanDerWaalsContact C-N 3.26Å; G460-V463 WeakPolarHBondContact O-CG2 3.42Å; G460-W473 VanDerWaalsContact C-NE1 3.31Å; G460-W473 VanDerWaalsContact O-CD1 3.26Å; G460-W473 PolarHBondContact O-NE1 3.46Å
461	L	93.6	Very high	95.4	Very high	7 Å²	7	48.7 Å²	48.7	4%	0.037	26%	0.257	C	S	.	.	S	Bend	trans	-71.2	-30.1	169	-177.9	64.6	0	0	0	111.2	L433 K434 A457 V463 V464 W473	L433-L461 HydrophobicContact CB-CD1 3.44Å; L433-L461 VanDerWaalsContact CB-CD1 3.44Å; L433-L461 HydrophobicContact CD1-CD1 3.6Å; L433-L461 HydrophobicContact CG-CD1 4.16Å; K434-L461 HydrophobicContact CG-CD2 4.47Å; A457-L461 WeakPolarHBondContact O-CB 3.46Å; A457-L461 PolarHBondContact O-N 2.68Å; L461-V463 VanDerWaalsContact C-N 3.31Å; L461-V463 PolarHBondContact O-N 2.92Å; L461-V464 WeakPolarHBondContact O-CB 3.1Å; L461-V464 WeakPolarHBondContact O-CG2 3.41Å; L461-V464 PolarHBondContact O-N 3.13Å; L461-W473 HydrophobicContact CB-CZ2 4.17Å; L461-W473 HydrophobicContact CD1-CD2 4.49Å; L461-W473 HydrophobicContact CD1-CE3 4.46Å; L461-W473 HydrophobicContact CD1-CH2 4.26Å; L461-W473 HydrophobicContact CD1-CZ2 4.25Å; L461-W473 HydrophobicContact CD1-CZ3 4.35Å
462	D	92.3	Very high	95.4	Very high	102 Å²	102	44.5 Å²	44.5	55%	0.545	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-24.1	-176	21.1	-53.7	0	0	0	113	K430 G460 V464	K430-D462 PolarHBondContact NZ-O 3.35Å; G460-D462 VanDerWaalsContact C-N 3.26Å; D462-V464 VanDerWaalsContact C-N 3.32Å
463	V	92.6	Very high	95.4	Very high	106 Å²	106	43.6 Å²	43.6	64%	0.642	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-6.5	175.3	-60.3	0	0	0	0	114.2	G460 L461 T465	G460-V463 WeakPolarHBondContact O-CG2 3.42Å; L461-V463 VanDerWaalsContact C-N 3.31Å; L461-V463 PolarHBondContact O-N 2.92Å; V463-T465 PolarHBondContact O-N 2.95Å
464	V	95.8	Very high	95.4	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.03	23%	0.231	C	C	.	.			trans	-69.9	118.6	176.5	176.9	0	0	0	0	109.6	P429 K430 L433 L461 D462 A470 W473	P429-V464 HydrophobicContact CB-CG1 4.27Å; K430-V464 WeakPolarHBondContact CE-O 3Å; K430-V464 HydrophobicContact CG-CB 4.31Å; K430-V464 HydrophobicContact CG-CG1 4.4Å; L433-V464 HydrophobicContact CD1-CG1 4.35Å; L433-V464 HydrophobicContact CD1-CG2 4.21Å; L461-V464 WeakPolarHBondContact O-CB 3.1Å; L461-V464 WeakPolarHBondContact O-CG2 3.41Å; L461-V464 PolarHBondContact O-N 3.13Å; D462-V464 VanDerWaalsContact C-N 3.32Å; V464-A470 HydrophobicContact CG1-CB 3.71Å; V464-W473 HydrophobicContact CG2-CB 3.86Å; V464-W473 HydrophobicContact CG2-CD2 4.47Å; V464-W473 HydrophobicContact CG2-CG 3.74Å
465	T	94.4	Very high	95.5	Very high	119 Å²	119	42.5 Å²	42.5	73%	0.73	23%	0.228	S	C	*	.			trans	-119.8	-13.2	-173.6	52.8	0	0	0	0	114.5	V463 S469	V463-T465 PolarHBondContact O-N 2.95Å; T465-S469 PolarHBondContact N-OG 2.85Å
466	S	96.3	Very high	95.5	Very high	49 Å²	49	45.1 Å²	45.1	34%	0.343	23%	0.233	S	C	.	.	S	Bend	trans	-142.2	156.1	-178.2	70.4	0	0	0	0	112.3	S469 A470	S466-S469 PolarHBondContact N-OG 3.5Å; S466-S469 PolarHBondContact O-N 2.83Å; S466-S469 VanDerWaalsContact O-N 3.09Å; S466-S469 PolarHBondContact O-OG 3.01Å; S466-S469 WeakPolarHBondContact OG-CB 3.33Å; S466-S469 PolarHBondContact OG-N 2.03Å; S466-S469 PolarHBondContact OG-OG 3.13Å; S466-A470 PolarHBondContact O-N 3.2Å
467	L	95.6	Very high	95.6	Very high	27 Å²	27	46 Å²	46	14%	0.141	24%	0.236	C	C	.	.	H	α-helix	trans	-56.5	-42.7	178.6	-64.3	162	0	0	0	113.1	A421 N422 D426 S469 A470 V471	A421-L467 HydrophobicContact CB-CD2 4.39Å; N422-L467 HydrophobicContact CB-CB 4.06Å; N422-L467 VanDerWaalsContact OD1-CB 3.23Å; N422-L467 WeakPolarHBondContact OD1-CB 3.36Å; D426-L467 HydrophobicContact CB-CD2 4.47Å; D426-L467 WeakPolarHBondContact O-CD1 3.18Å; L467-S469 VanDerWaalsContact C-N 3.32Å; L467-S469 PolarHBondContact O-N 2.85Å; L467-A470 WeakPolarHBondContact O-CB 3.46Å; L467-A470 PolarHBondContact O-N 2.77Å; L467-A470 VanDerWaalsContact O-N 3.15Å; L467-V471 PolarHBondContact O-N 2.98Å
468	P	95.9	Very high	95.7	Very high	45 Å²	45	47.9 Å²	47.9	29%	0.292	25%	0.245	S	C	.	.	H	α-helix	trans	-63.7	-37.3	174.8	-22.6	33.9	0	0	0	112.8	N422 A470 V471 L472 I526	N422-P468 WeakPolarHBondContact OD1-CD 3.35Å; N422-P468 WeakPolarHBondContact OD1-CG 3.3Å; P468-A470 VanDerWaalsContact C-N 3.25Å; P468-A470 PolarHBondContact O-N 3.45Å; P468-V471 PolarHBondContact O-N 3.16Å; P468-L472 PolarHBondContact O-N 3.45Å; P468-I526 HydrophobicContact CB-CD1 3.95Å
469	S	96.1	Very high	95.9	Very high	30 Å²	30	40.9 Å²	40.9	21%	0.21	22%	0.219	C	C	.	.	H	α-helix	trans	-66.2	-28.4	176.1	74.3	0	0	0	0	112.5	T465 S466 L467 W473	T465-S469 PolarHBondContact N-OG 2.85Å; S466-S469 PolarHBondContact N-OG 3.5Å; S466-S469 PolarHBondContact O-N 2.83Å; S466-S469 VanDerWaalsContact O-N 3.09Å; S466-S469 PolarHBondContact O-OG 3.01Å; S466-S469 WeakPolarHBondContact OG-CB 3.33Å; S466-S469 PolarHBondContact OG-N 2.03Å; S466-S469 PolarHBondContact OG-OG 3.13Å; L467-S469 VanDerWaalsContact C-N 3.32Å; L467-S469 PolarHBondContact O-N 2.85Å; S469-W473 WeakPolarHBondContact O-CB 3.33Å; S469-W473 PolarHBondContact O-N 2.95Å
470	A	97.4	Very high	96.2	Very high	5 Å²	5	40.8 Å²	40.8	4%	0.041	21%	0.214	C	C	.	.	H	α-helix	trans	-69.2	-42.2	174.9	0	0	0	0	0	111.8	P429 L433 V464 S466 L467 P468 W473 L474	P429-A470 VanDerWaalsContact O-CB 3.23Å; P429-A470 WeakPolarHBondContact O-CB 3.39Å; L433-A470 HydrophobicContact CD1-CB 3.83Å; L433-A470 HydrophobicContact CG-CB 4.41Å; V464-A470 HydrophobicContact CG1-CB 3.71Å; S466-A470 PolarHBondContact O-N 3.2Å; L467-A470 WeakPolarHBondContact O-CB 3.46Å; L467-A470 PolarHBondContact O-N 2.77Å; L467-A470 VanDerWaalsContact O-N 3.15Å; P468-A470 VanDerWaalsContact C-N 3.25Å; P468-A470 PolarHBondContact O-N 3.45Å; A470-W473 PolarHBondContact O-N 2.88Å; A470-L474 PolarHBondContact O-N 3.29Å; A470-L474 VanDerWaalsContact O-N 3.15Å
471	V	97.8	Very high	96.5	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.024	22%	0.217	C	C	.	.	H	α-helix	trans	-60.4	-49.1	173.5	175.4	0	0	0	0	110.3	V419 N422 L467 P468 W473 L474 W475 L529	V419-V471 HydrophobicContact CG2-CG1 3.92Å; V419-V471 HydrophobicContact CG2-CG2 4.16Å; N422-V471 HydrophobicContact CB-CG2 4.14Å; L467-V471 PolarHBondContact O-N 2.98Å; P468-V471 PolarHBondContact O-N 3.16Å; V471-W473 PolarHBondContact O-N 2.6Å; V471-L474 PolarHBondContact O-N 3.26Å; V471-W475 WeakPolarHBondContact O-CB 3.32Å; V471-W475 PolarHBondContact O-N 2.95Å; V471-W475 VanDerWaalsContact O-N 3.14Å; V471-L529 HydrophobicContact CG1-CB 3.99Å; V471-L529 HydrophobicContact CG1-CD1 3.68Å; V471-L529 HydrophobicContact CG1-CG 4.48Å
472	L	97.6	Very high	96.7	Very high	22 Å²	22	41.8 Å²	41.8	12%	0.115	22%	0.219	C	C	.	.	H	α-helix	trans	-63.7	-40.6	177.4	-77	-178.9	0	0	0	112.7	P468 L474 W475 Y476 E522 V525 I526 L529	P468-L472 PolarHBondContact O-N 3.45Å; L472-L474 VanDerWaalsContact C-N 3.34Å; L472-L474 PolarHBondContact O-N 3.33Å; L472-W475 HydrophobicContact CD2-CE3 3.98Å; L472-W475 HydrophobicContact CD2-CZ3 4.35Å; L472-W475 PolarHBondContact O-N 3.12Å; L472-Y476 WeakPolarHBondContact O-CB 3.38Å; L472-Y476 PolarHBondContact O-N 2.76Å; L472-E522 HydrophobicContact CD1-CB 4.21Å; L472-V525 HydrophobicContact CD2-CB 4.25Å; L472-V525 HydrophobicContact CD2-CG1 3.78Å; L472-I526 HydrophobicContact CD1-CD1 3.66Å; L472-I526 HydrophobicContact CD1-CG1 3.79Å; L472-I526 HydrophobicContact CD2-CG1 3.79Å; L472-I526 HydrophobicContact CG-CD1 4.06Å; L472-I526 HydrophobicContact CG-CG1 3.65Å; L472-L529 HydrophobicContact CD2-CD1 4.41Å
473	W	97.8	Very high	96.9	Very high	22 Å²	22	42.4 Å²	42.4	8%	0.083	22%	0.223	C	C	.	.	H	α-helix	trans	-58	-49.2	178.8	-178.2	95	0	0	0	110.9	L433 F453 A457 G460 L461 V464 S469 A470 V471 W475 Y476 R477	L433-W473 HydrophobicContact CD1-CB 4.5Å; L433-W473 HydrophobicContact CD1-CD2 4.22Å; L433-W473 HydrophobicContact CD1-CE3 3.78Å; L433-W473 HydrophobicContact CD1-CZ3 4.43Å; L433-W473 HydrophobicContact CD2-CE3 3.91Å; L433-W473 HydrophobicContact CD2-CZ3 4.13Å; L433-W473 HydrophobicContact CG-CE3 4.43Å; F453-W473 HydrophobicContact CZ-CH2 4.21Å; F453-W473 HydrophobicContact CZ-CZ3 4.21Å; A457-W473 HydrophobicContact CB-CH2 4.4Å; G460-W473 VanDerWaalsContact C-NE1 3.31Å; G460-W473 VanDerWaalsContact O-CD1 3.26Å; G460-W473 PolarHBondContact O-NE1 3.46Å; L461-W473 HydrophobicContact CB-CZ2 4.17Å; L461-W473 HydrophobicContact CD1-CD2 4.49Å; L461-W473 HydrophobicContact CD1-CE3 4.46Å; L461-W473 HydrophobicContact CD1-CH2 4.26Å; L461-W473 HydrophobicContact CD1-CZ2 4.25Å; L461-W473 HydrophobicContact CD1-CZ3 4.35Å; V464-W473 HydrophobicContact CG2-CB 3.86Å; V464-W473 HydrophobicContact CG2-CD2 4.47Å; V464-W473 HydrophobicContact CG2-CG 3.74Å; S469-W473 WeakPolarHBondContact O-CB 3.33Å; S469-W473 PolarHBondContact O-N 2.95Å; A470-W473 PolarHBondContact O-N 2.88Å; V471-W473 PolarHBondContact O-N 2.6Å; W473-W475 VanDerWaalsContact C-N 3.32Å; W473-W475 PolarHBondContact O-N 3.22Å; W473-Y476 PolarHBondContact O-N 3.13Å; W473-R477 HydrophobicContact CD2-CG 3.9Å; W473-R477 HydrophobicContact CE3-CG 4.09Å; W473-R477 HydrophobicContact CH2-CG 3.84Å; W473-R477 HydrophobicContact CZ2-CG 3.65Å; W473-R477 HydrophobicContact CZ3-CG 4.06Å; W473-R477 WeakPolarHBondContact O-CG 3.05Å; W473-R477 PolarHBondContact O-N 3.28Å
474	L	98.4	Very high	97.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.5	-40.6	-179.1	-172	62.2	0	0	0	111.3	W411 F414 T418 L433 M436 F453 A470 V471 L472 R477 H478	W411-L474 HydrophobicContact CE3-CD1 4.41Å; W411-L474 HydrophobicContact CZ3-CD1 3.72Å; W411-L474 HydrophobicContact CZ3-CG 4.37Å; F414-L474 HydrophobicContact CB-CD2 3.93Å; T418-L474 HydrophobicContact CG2-CD2 3.89Å; L433-L474 HydrophobicContact CD2-CB 4.05Å; L433-L474 HydrophobicContact CD2-CD1 4.26Å; L433-L474 HydrophobicContact CD2-CD2 4.39Å; L433-L474 HydrophobicContact CD2-CG 4.47Å; M436-L474 HydrophobicContact CE-CD1 3.87Å; M436-L474 HydrophobicContact SD-CD1 3.51Å; M436-L474 VanDerWaalsContact SD-CD1 3.51Å; M436-L474 HydrophobicContact SD-CD2 4.29Å; F453-L474 HydrophobicContact CE2-CD1 4.44Å; A470-L474 PolarHBondContact O-N 3.29Å; A470-L474 VanDerWaalsContact O-N 3.15Å; V471-L474 PolarHBondContact O-N 3.26Å; L472-L474 VanDerWaalsContact C-N 3.34Å; L472-L474 PolarHBondContact O-N 3.33Å; L474-R477 PolarHBondContact O-N 3.45Å; L474-H478 WeakPolarHBondContact O-CB 3.41Å; L474-H478 PolarHBondContact O-N 2.93Å
475	W	98.5	Very high	97.1	Very high	5 Å²	5	44.1 Å²	44.1	2%	0.019	22%	0.219	C	C	.	.	H	α-helix	trans	-59.9	-48.4	175	165.3	78.8	0	0	0	112.1	V471 L472 W473 R477 H478 N479 W500 W520 V525 L529	V471-W475 WeakPolarHBondContact O-CB 3.32Å; V471-W475 PolarHBondContact O-N 2.95Å; V471-W475 VanDerWaalsContact O-N 3.14Å; L472-W475 HydrophobicContact CD2-CE3 3.98Å; L472-W475 HydrophobicContact CD2-CZ3 4.35Å; L472-W475 PolarHBondContact O-N 3.12Å; W473-W475 VanDerWaalsContact C-N 3.32Å; W473-W475 PolarHBondContact O-N 3.22Å; W475-R477 PolarHBondContact O-N 3.18Å; W475-H478 PolarHBondContact O-N 3.21Å; W475-N479 VanDerWaalsContact CE2-ND2 3.27Å; W475-N479 WeakPolarHBondContact CZ2-ND2 3.41Å; W475-N479 PolarHBondContact NE1-ND2 2.63Å; W475-N479 VanDerWaalsContact NE1-ND2 3.16Å; W475-N479 PolarHBondContact O-N 3.41Å; W475-W500 PolarHBondContact NE1-O 3.36Å; W475-W520 HydrophobicContact CH2-CB 4.08Å; W475-W520 AromaticContact CH2-CD1 3.81Å; W475-W520 AromaticContact CH2-CD2 3.57Å; W475-W520 HydrophobicContact CH2-CD2 3.57Å; W475-W520 AromaticContact CH2-CE2 3.77Å; W475-W520 HydrophobicContact CH2-CE3 4.1Å; W475-W520 AromaticContact CH2-CG 3.58Å; W475-W520 HydrophobicContact CH2-CG 3.58Å; W475-W520 HydrophobicContact CH2-CZ2 4.42Å; W475-W520 AromaticContact CH2-NE1 3.91Å; W475-W520 AromaticContact CZ2-CD2 3.62Å; W475-W520 HydrophobicContact CZ2-CD2 3.62Å; W475-W520 AromaticContact CZ2-CE2 3.62Å; W475-W520 AromaticContact CZ2-CE3 3.8Å; W475-W520 HydrophobicContact CZ2-CE3 3.8Å; W475-W520 HydrophobicContact CZ2-CG 4.15Å; W475-W520 HydrophobicContact CZ2-CH2 4.03Å; W475-W520 AromaticContact CZ2-CZ2 3.82Å; W475-W520 HydrophobicContact CZ2-CZ2 3.82Å; W475-W520 HydrophobicContact CZ2-CZ3 4.02Å; W475-V525 HydrophobicContact CD2-CG1 3.92Å; W475-V525 HydrophobicContact CE3-CG1 4.18Å; W475-V525 HydrophobicContact CG-CG1 4.46Å; W475-V525 HydrophobicContact CH2-CG1 4.25Å; W475-V525 HydrophobicContact CH2-CG2 4.28Å; W475-V525 HydrophobicContact CZ2-CG1 3.99Å; W475-V525 HydrophobicContact CZ2-CG2 4.22Å; W475-V525 HydrophobicContact CZ3-CG1 4.34Å; W475-L529 HydrophobicContact CB-CD1 3.78Å; W475-L529 HydrophobicContact CG-CD1 3.88Å; W475-L529 HydrophobicContact CG-CD2 4.38Å
476	Y	97.4	Very high	97.1	Very high	133 Å²	133	40.8 Å²	40.8	52%	0.522	20%	0.204	S	C	.	.	H	α-helix	trans	-61.6	-44.8	178.3	-177.9	-98.1	0	0	0	111.8	L472 W473 H478 N479 R480	L472-Y476 WeakPolarHBondContact O-CB 3.38Å; L472-Y476 PolarHBondContact O-N 2.76Å; W473-Y476 PolarHBondContact O-N 3.13Å; Y476-H478 VanDerWaalsContact C-N 3.34Å; Y476-H478 PolarHBondContact O-N 3.03Å; Y476-N479 PolarHBondContact O-N 3.42Å; Y476-R480 PolarHBondContact O-N 2.9Å
477	R	97.8	Very high	96.8	Very high	23 Å²	23	41.7 Å²	41.7	9%	0.087	22%	0.22	C	C	.	.	H	α-helix	trans	-65.2	-37.5	177	-63.2	-48.7	178.4	162.1	-6.6	112.1	M456 E459 W473 L474 W475 R480 V481	M456-R477 HydrophobicContact CB-CG 4.47Å; M456-R477 HydrophobicContact CE-CB 4.29Å; M456-R477 HydrophobicContact SD-CB 4.05Å; M456-R477 HydrophobicContact SD-CG 4.48Å; E459-R477 IonicContact OE2-CZ 2.89Å; E459-R477 IonicContact OE2-NH1 3.08Å; E459-R477 PolarHBondContact OE2-NH1 2.78Å; W473-R477 HydrophobicContact CD2-CG 3.9Å; W473-R477 HydrophobicContact CE3-CG 4.09Å; W473-R477 HydrophobicContact CH2-CG 3.84Å; W473-R477 HydrophobicContact CZ2-CG 3.65Å; W473-R477 HydrophobicContact CZ3-CG 4.06Å; W473-R477 WeakPolarHBondContact O-CG 3.05Å; W473-R477 PolarHBondContact O-N 3.28Å; L474-R477 PolarHBondContact O-N 3.45Å; W475-R477 PolarHBondContact O-N 3.18Å; R477-R480 PolarHBondContact O-N 2.94Å; R477-V481 WeakPolarHBondContact O-CG2 3.04Å; R477-V481 PolarHBondContact O-N 3.03Å; R477-V481 VanDerWaalsContact O-N 3.08Å
478	H	98.5	Very high	96.7	Very high	40 Å²	40	43.1 Å²	43.1	19%	0.185	23%	0.228	C	C	.	.	H	α-helix	trans	-64.1	-42	174.7	-166	-171.8	0	0	0	111.3	W411 H415 L474 W475 Y476 R480 V481 N482	W411-H478 AromaticContact CD1-NE2 3.7Å; W411-H478 AromaticContact CD2-CD2 3.61Å; W411-H478 AromaticContact CD2-CE1 3.88Å; W411-H478 AromaticContact CD2-CG 3.87Å; W411-H478 AromaticContact CD2-NE2 3.62Å; W411-H478 AromaticContact CE2-CD2 3.66Å; W411-H478 AromaticContact CE2-NE2 3.89Å; W411-H478 HydrophobicContact CE3-CB 3.98Å; W411-H478 AromaticContact CE3-CD2 3.88Å; W411-H478 AromaticContact CE3-CG 3.66Å; W411-H478 AromaticContact CE3-ND1 3.88Å; W411-H478 AromaticContact CG-CE1 3.69Å; W411-H478 AromaticContact CG-NE2 3.52Å; W411-H478 HydrophobicContact CH2-CB 4.13Å; W411-H478 HydrophobicContact CZ3-CB 3.71Å; W411-H478 AromaticContact CZ3-CG 3.89Å; W411-H478 AromaticContact NE1-NE2 3.91Å; H415-H478 AromaticContact CD2-ND1 3.77Å; H415-H478 AromaticContact NE2-CG 3.75Å; H415-H478 AromaticContact NE2-ND1 3.08Å; H415-H478 PolarHBondContact NE2-ND1 3.31Å; L474-H478 WeakPolarHBondContact O-CB 3.41Å; L474-H478 PolarHBondContact O-N 2.93Å; W475-H478 PolarHBondContact O-N 3.21Å; Y476-H478 VanDerWaalsContact C-N 3.34Å; Y476-H478 PolarHBondContact O-N 3.03Å; H478-R480 PolarHBondContact O-N 3.25Å; H478-V481 WeakPolarHBondContact O-CB 3.47Å; H478-V481 PolarHBondContact O-N 2.91Å; H478-V481 VanDerWaalsContact O-N 3.14Å; H478-N482 PolarHBondContact O-N 2.89Å
479	N	98.3	Very high	96.5	Very high	4 Å²	4	46 Å²	46	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-66.4	-35	175.7	-90.7	-25.8	0	0	0	113.9	W475 Y476 V481 N482 N483 Q499 W500	W475-N479 VanDerWaalsContact CE2-ND2 3.27Å; W475-N479 WeakPolarHBondContact CZ2-ND2 3.41Å; W475-N479 PolarHBondContact NE1-ND2 2.63Å; W475-N479 VanDerWaalsContact NE1-ND2 3.16Å; W475-N479 PolarHBondContact O-N 3.41Å; Y476-N479 PolarHBondContact O-N 3.42Å; N479-V481 VanDerWaalsContact C-N 3.3Å; N479-V481 PolarHBondContact O-N 3.33Å; N479-N482 WeakPolarHBondContact O-CB 3.18Å; N479-N482 PolarHBondContact O-N 2.88Å; N479-N482 PolarHBondContact OD1-ND2 3.24Å; N479-N483 PolarHBondContact O-N 3.43Å; N479-Q499 PolarHBondContact O-NE2 3.32Å; N479-W500 PolarHBondContact ND2-O 2.88Å; N479-W500 PolarHBondContact OD1-N 3.39Å; N479-W500 PolarHBondContact OD1-O 2.79Å
480	R	97.4	Very high	96.4	Very high	108 Å²	108	45.6 Å²	45.6	41%	0.408	24%	0.238	S	C	.	.	H	α-helix	trans	-62.7	-38.7	170.5	-178.9	173.9	167.3	-166.2	-8.3	111.6	E459 Y476 R477 H478 R484	E459-R480 IonicContact OE1-CZ 3.97Å; E459-R480 IonicContact OE1-NH1 3.64Å; E459-R480 IonicContact OE1-NH2 3.6Å; E459-R480 PolarHBondContact OE1-NH2 2.71Å; E459-R480 VanDerWaalsContact OE1-NH2 3.16Å; E459-R480 IonicContact OE2-CZ 3.13Å; E459-R480 IonicContact OE2-NH1 3.88Å; E459-R480 PolarHBondContact OE2-NH1 3.42Å; E459-R480 IonicContact OE2-NH2 2.92Å; Y476-R480 PolarHBondContact O-N 2.9Å; R477-R480 PolarHBondContact O-N 2.94Å; H478-R480 PolarHBondContact O-N 3.25Å; R480-R484 PolarHBondContact O-N 3.01Å
481	V	97.9	Very high	96.2	Very high	15 Å²	15	47.1 Å²	47.1	9%	0.091	24%	0.244	C	C	.	.	H	α-helix	trans	-63.3	-49.6	172.4	174.1	0	0	0	0	110	W411 M456 R477 H478 N479 N483 R484 I485	W411-V481 HydrophobicContact CZ2-CG2 4.22Å; M456-V481 HydrophobicContact CE-CG2 3.54Å; M456-V481 HydrophobicContact SD-CG2 4.09Å; R477-V481 WeakPolarHBondContact O-CG2 3.04Å; R477-V481 PolarHBondContact O-N 3.03Å; R477-V481 VanDerWaalsContact O-N 3.08Å; H478-V481 WeakPolarHBondContact O-CB 3.47Å; H478-V481 PolarHBondContact O-N 2.91Å; H478-V481 VanDerWaalsContact O-N 3.14Å; N479-V481 VanDerWaalsContact C-N 3.3Å; N479-V481 PolarHBondContact O-N 3.33Å; V481-N483 VanDerWaalsContact C-N 3.27Å; V481-N483 PolarHBondContact O-N 3.22Å; V481-R484 PolarHBondContact O-N 3.36Å; V481-I485 HydrophobicContact CG1-CD1 4.3Å; V481-I485 HydrophobicContact CG1-CG1 4.26Å; V481-I485 VanDerWaalsContact O-CG1 3.27Å; V481-I485 WeakPolarHBondContact O-CG1 3.48Å; V481-I485 PolarHBondContact O-N 3.4Å
482	N	97.5	Very high	95.9	Very high	14 Å²	14	47 Å²	47	8%	0.075	24%	0.243	C	C	.	.	H	α-helix	trans	-51.6	-46.9	177.9	-68.4	-20.8	0	0	0	111.9	H478 N479 R484 I485 A486 K497 I498	H478-N482 PolarHBondContact O-N 2.89Å; N479-N482 WeakPolarHBondContact O-CB 3.18Å; N479-N482 PolarHBondContact O-N 2.88Å; N479-N482 PolarHBondContact OD1-ND2 3.24Å; N482-R484 VanDerWaalsContact C-N 3.34Å; N482-R484 PolarHBondContact O-N 3.35Å; N482-I485 PolarHBondContact O-N 2.91Å; N482-A486 PolarHBondContact O-N 3.4Å; N482-A486 VanDerWaalsContact O-N 3.07Å; N482-K497 HydrophobicContact CB-CB 4.23Å; N482-K497 VanDerWaalsContact O-CB 3.31Å; N482-K497 WeakPolarHBondContact O-CB 3.32Å; N482-I498 WeakPolarHBondContact CB-O 3.4Å; N482-I498 PolarHBondContact ND2-O 2.99Å
483	N	96.9	Very high	95.5	Very high	115 Å²	115	50.5 Å²	50.5	62%	0.615	27%	0.268	S	S	*	.	H	α-helix	trans	-60.5	-43	177.9	-168.1	62.1	0	0	0	112.6	N479 V481	N479-N483 PolarHBondContact O-N 3.43Å; V481-N483 VanDerWaalsContact C-N 3.27Å; V481-N483 PolarHBondContact O-N 3.22Å
484	R	96.4	Very high	95.1	Very high	111 Å²	111	56.7 Å²	56.7	42%	0.419	30%	0.295	S	S	.	.	H	α-helix	trans	-67.7	-37.4	-178.1	-178.4	-174.7	64.9	-169.4	0.4	112.6	H452 R480 V481 N482	H452-R484 VanDerWaalsContact CB-NH1 3.33Å; H452-R484 PolarHBondContact CD2-NH1 3.47Å; H452-R484 PolarHBondContact CE1-NH1 3.09Å; H452-R484 VanDerWaalsContact ND1-CZ 3.32Å; H452-R484 PolarHBondContact ND1-NH1 2.95Å; H452-R484 PolarHBondContact ND1-NH2 2.89Å; H452-R484 PolarHBondContact NE2-NH1 3.41Å; R480-R484 PolarHBondContact O-N 3.01Å; V481-R484 PolarHBondContact O-N 3.36Å; N482-R484 VanDerWaalsContact C-N 3.34Å; N482-R484 PolarHBondContact O-N 3.35Å
485	I	94.8	Very high	94.8	Very high	36 Å²	36	58.9 Å²	58.9	19%	0.185	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	9.5	-175.6	64.5	156.1	0	0	0	113.1	V481 N482 G487 D488 K497	V481-I485 HydrophobicContact CG1-CD1 4.3Å; V481-I485 HydrophobicContact CG1-CG1 4.26Å; V481-I485 VanDerWaalsContact O-CG1 3.27Å; V481-I485 WeakPolarHBondContact O-CG1 3.48Å; V481-I485 PolarHBondContact O-N 3.4Å; N482-I485 PolarHBondContact O-N 2.91Å; I485-G487 PolarHBondContact O-N 2.86Å; I485-D488 HydrophobicContact CB-CB 4.22Å; I485-D488 WeakPolarHBondContact O-CB 3.48Å; I485-D488 PolarHBondContact O-N 3.35Å; I485-K497 HydrophobicContact CD1-CD 3.87Å; I485-K497 HydrophobicContact CD1-CG 4.15Å; I485-K497 HydrophobicContact CG1-CD 4.18Å; I485-K497 HydrophobicContact CG1-CG 3.98Å
486	A	94.9	Very high	94.6	Very high	49 Å²	49	62.3 Å²	62.3	41%	0.405	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	127.7	169.6	0	0	0	0	0	109.4	N482 D488 K497	N482-A486 PolarHBondContact O-N 3.4Å; N482-A486 VanDerWaalsContact O-N 3.07Å; A486-D488 PolarHBondContact O-N 2.87Å; A486-K497 HydrophobicContact CB-CB 4.12Å
487	G	90.6	Very high	94.5	Very high	67 Å²	67	58.7 Å²	58.7	69%	0.691	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	3	-174.3	0	0	0	0	0	115.3	I485 E491	I485-G487 PolarHBondContact O-N 2.86Å; G487-E491 VanDerWaalsContact CA-OE2 3.24Å; G487-E491 WeakPolarHBondContact CA-OE2 3.37Å; G487-E491 PolarHBondContact N-OE2 2.95Å
488	D	92.9	Very high	94.3	Very high	58 Å²	58	61.2 Å²	61.2	31%	0.31	33%	0.329	S	S	.	.			trans	-72.4	154.5	176.2	-175.3	-97.6	0	0	0	111.2	I485 A486 S490 E491	I485-D488 HydrophobicContact CB-CB 4.22Å; I485-D488 WeakPolarHBondContact O-CB 3.48Å; I485-D488 PolarHBondContact O-N 3.35Å; A486-D488 PolarHBondContact O-N 2.87Å; D488-S490 PolarHBondContact O-N 2.81Å; D488-S490 VanDerWaalsContact OD1-CB 3.27Å; D488-S490 WeakPolarHBondContact OD1-CB 3.09Å; D488-S490 PolarHBondContact OD1-N 3.1Å; D488-S490 PolarHBondContact OD1-OG 3.17Å; D488-E491 WeakPolarHBondContact O-CB 3.26Å; D488-E491 PolarHBondContact O-N 3.13Å
489	L	92.1	Very high	94.2	Very high	106 Å²	106	62.9 Å²	62.9	56%	0.555	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-20.4	177.8	-65.8	175.4	0	0	0	113.8	I72 P76 E491	I72-L489 HydrophobicContact CG2-CB 4.31Å; I72-L489 WeakPolarHBondContact CG2-O 3.47Å; P76-L489 HydrophobicContact CG-CD1 3.85Å; L489-E491 VanDerWaalsContact C-N 3.34Å
490	S	93.1	Very high	94.1	Very high	21 Å²	21	65 Å²	65	15%	0.147	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-3.1	174	67.6	0	0	0	0	114.4	G69 D488	G69-S490 VanDerWaalsContact CA-CB 3.47Å; D488-S490 PolarHBondContact O-N 2.81Å; D488-S490 VanDerWaalsContact OD1-CB 3.27Å; D488-S490 WeakPolarHBondContact OD1-CB 3.09Å; D488-S490 PolarHBondContact OD1-N 3.1Å; D488-S490 PolarHBondContact OD1-OG 3.17Å
491	E	94	Very high	94.1	Very high	37 Å²	37	59.9 Å²	59.9	17%	0.173	33%	0.326	C	S	.	.	S	Bend	trans	-72.8	127.7	171.8	-176.2	173.6	-124.5	0	0	110.4	G487 D488 L489 P493 P496 K497	G487-E491 VanDerWaalsContact CA-OE2 3.24Å; G487-E491 WeakPolarHBondContact CA-OE2 3.37Å; G487-E491 PolarHBondContact N-OE2 2.95Å; D488-E491 WeakPolarHBondContact O-CB 3.26Å; D488-E491 PolarHBondContact O-N 3.13Å; L489-E491 VanDerWaalsContact C-N 3.34Å; E491-P493 WeakPolarHBondContact O-CD 3.44Å; E491-P496 WeakPolarHBondContact OE1-CA 3.4Å; E491-K497 HydrophobicContact CG-CG 4.04Å; E491-K497 WeakPolarHBondContact OE1-CB 3.16Å; E491-K497 VanDerWaalsContact OE1-CG 3.25Å; E491-K497 WeakPolarHBondContact OE1-CG 3.33Å; E491-K497 PolarHBondContact OE1-N 2.89Å
492	D	91.4	Very high	93.9	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.005	33%	0.329	C	S	.	.			trans	-76.9	122.6	174.3	-172.9	-31.9	0	0	0	108.8	G398 S399 F403 R404 F494 F495	G398-D492 WeakPolarHBondContact CA-OD2 3.4Å; S399-D492 VanDerWaalsContact CB-OD1 3.31Å; S399-D492 WeakPolarHBondContact CB-OD1 3.5Å; S399-D492 PolarHBondContact N-OD2 2.87Å; S399-D492 VanDerWaalsContact OG-CG 3.23Å; S399-D492 PolarHBondContact OG-OD1 2.93Å; S399-D492 PolarHBondContact OG-OD2 3Å; F403-D492 HydrophobicContact CB-CB 3.91Å; F403-D492 WeakPolarHBondContact CB-OD2 3.43Å; F403-D492 HydrophobicContact CD1-CB 4.21Å; F403-D492 HydrophobicContact CD2-CB 4.18Å; F403-D492 HydrophobicContact CG-CB 3.87Å; R404-D492 HydrophobicContact CG-CB 4.14Å; D492-F494 PolarHBondContact O-N 2.93Å; D492-F494 VanDerWaalsContact O-N 3.07Å; D492-F494 PolarHBondContact OD1-N 2.88Å; D492-F495 HydrophobicContact CB-CB 4.19Å; D492-F495 HydrophobicContact CB-CD2 4.31Å; D492-F495 CarbonylContact O-C 3.51Å; D492-F495 WeakPolarHBondContact O-CA 3.41Å; D492-F495 PolarHBondContact O-N 2.69Å
493	P	88.9	Confident	93.7	Very high	96 Å²	96	63.4 Å²	63.4	62%	0.623	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-25.3	-179	-26.6	35.6	0	0	0	114.3	E491	E491-P493 WeakPolarHBondContact O-CD 3.44Å
494	F	90.1	Very high	93.4	Very high	152 Å²	152	66.7 Å²	66.7	67%	0.667	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-10.6	177	-75.1	72.3	0	0	0	112.9	D492	D492-F494 PolarHBondContact O-N 2.93Å; D492-F494 VanDerWaalsContact O-N 3.07Å; D492-F494 PolarHBondContact OD1-N 2.88Å
495	F	92	Very high	93.3	Very high	45 Å²	45	63.7 Å²	63.7	20%	0.197	35%	0.353	C	S	.	.	S	Bend	trans	-135.8	64.8	179.5	-60.2	-88.4	0	0	0	110.9	W292 F295 R404 D492	W292-F495 AromaticContact CH2-CE2 3.63Å; W292-F495 HydrophobicContact CH2-CE2 3.63Å; W292-F495 AromaticContact CH2-CZ 3.69Å; W292-F495 HydrophobicContact CH2-CZ 3.69Å; W292-F495 HydrophobicContact CZ2-CZ 4.39Å; W292-F495 HydrophobicContact CZ3-CE2 4.31Å; F295-F495 HydrophobicContact CE1-CE1 4.27Å; F295-F495 AromaticContact CE1-CZ 3.79Å; F295-F495 HydrophobicContact CE1-CZ 3.79Å; F295-F495 HydrophobicContact CE2-CE1 4.47Å; F295-F495 AromaticContact CZ-CE1 3.58Å; F295-F495 HydrophobicContact CZ-CE1 3.58Å; F295-F495 AromaticContact CZ-CZ 3.57Å; F295-F495 HydrophobicContact CZ-CZ 3.57Å; R404-F495 VanDerWaalsContact CD-CD2 3.44Å; D492-F495 HydrophobicContact CB-CB 4.19Å; D492-F495 HydrophobicContact CB-CD2 4.31Å; D492-F495 CarbonylContact O-C 3.51Å; D492-F495 WeakPolarHBondContact O-CA 3.41Å; D492-F495 PolarHBondContact O-N 2.69Å
496	P	93.4	Very high	93.4	Very high	78 Å²	78	62.3 Å²	62.3	51%	0.506	35%	0.346	S	S	.	.			trans	-58.3	145.1	178	25.9	-34.8	0	0	0	110.9	E491 I498	E491-P496 WeakPolarHBondContact OE1-CA 3.4Å; P496-I498 PolarHBondContact O-N 3.35Å
497	K	95.3	Very high	93.4	Very high	56 Å²	56	64.5 Å²	64.5	24%	0.243	36%	0.357	C	S	.	.			trans	-75.9	117.9	-179	-55.6	-63.7	170.7	-169.9	0	108.4	N482 I485 A486 E491	N482-K497 HydrophobicContact CB-CB 4.23Å; N482-K497 VanDerWaalsContact O-CB 3.31Å; N482-K497 WeakPolarHBondContact O-CB 3.32Å; I485-K497 HydrophobicContact CD1-CD 3.87Å; I485-K497 HydrophobicContact CD1-CG 4.15Å; I485-K497 HydrophobicContact CG1-CD 4.18Å; I485-K497 HydrophobicContact CG1-CG 3.98Å; A486-K497 HydrophobicContact CB-CB 4.12Å; E491-K497 HydrophobicContact CG-CG 4.04Å; E491-K497 WeakPolarHBondContact OE1-CB 3.16Å; E491-K497 VanDerWaalsContact OE1-CG 3.25Å; E491-K497 WeakPolarHBondContact OE1-CG 3.33Å; E491-K497 PolarHBondContact OE1-N 2.89Å
498	I	94.6	Very high	93.7	Very high	76 Å²	76	64.2 Å²	64.2	39%	0.39	34%	0.344	S	S	.	.			trans	-117.4	161.2	176.3	62.8	169.4	0	0	0	109.7	N482 P496 W500	N482-I498 WeakPolarHBondContact CB-O 3.4Å; N482-I498 PolarHBondContact ND2-O 2.99Å; P496-I498 PolarHBondContact O-N 3.35Å; I498-W500 HydrophobicContact CG1-CB 4.39Å; I498-W500 PolarHBondContact O-N 3.14Å
499	Q	95.5	Very high	93.9	Very high	76 Å²	76	61.5 Å²	61.5	36%	0.355	33%	0.329	S	S	.	.	S	Bend	trans	-67.8	110.6	158.3	-66.1	-55.1	-70.6	0	0	107.7	N479 W520	N479-Q499 PolarHBondContact O-NE2 3.32Å; Q499-W520 HydrophobicContact CB-CZ2 4Å
500	W	96.8	Very high	94.1	Very high	49 Å²	49	58.1 Å²	58.1	19%	0.186	31%	0.311	C	S	.	.	S	Bend	trans	-103.9	142.7	-168.6	-175.6	92.1	0	0	0	111.4	W475 N479 I498 M505 F528 L529 H532 F533	W475-W500 PolarHBondContact NE1-O 3.36Å; N479-W500 PolarHBondContact ND2-O 2.88Å; N479-W500 PolarHBondContact OD1-N 3.39Å; N479-W500 PolarHBondContact OD1-O 2.79Å; I498-W500 HydrophobicContact CG1-CB 4.39Å; I498-W500 PolarHBondContact O-N 3.14Å; W500-M505 HydrophobicContact CZ2-SD 3.75Å; W500-M505 PolarHBondContact NE1-SD 3.45Å; W500-M505 VanDerWaalsContact NE1-SD 3.45Å; W500-F528 AromaticContact CH2-CE1 3.42Å; W500-F528 HydrophobicContact CH2-CE1 3.42Å; W500-F528 VanDerWaalsContact CH2-CE1 3.42Å; W500-F528 AromaticContact CH2-CZ 3.91Å; W500-F528 HydrophobicContact CH2-CZ 3.91Å; W500-F528 AromaticContact CZ2-CE1 3.81Å; W500-F528 HydrophobicContact CZ2-CE1 3.81Å; W500-F528 AromaticContact CZ2-CZ 3.85Å; W500-F528 HydrophobicContact CZ2-CZ 3.85Å; W500-F528 AromaticContact CZ3-CE1 3.83Å; W500-F528 HydrophobicContact CZ3-CE1 3.83Å; W500-L529 HydrophobicContact CH2-CD2 4.06Å; W500-L529 HydrophobicContact CZ3-CD2 3.46Å; W500-L529 VanDerWaalsContact CZ3-CD2 3.46Å; W500-H532 AromaticContact CH2-CD2 3.92Å; W500-H532 AromaticContact CZ2-CE1 3.81Å; W500-H532 AromaticContact CZ2-ND1 3.98Å; W500-H532 AromaticContact CZ2-NE2 3.89Å; W500-F533 AromaticContact CH2-CE2 3.9Å; W500-F533 HydrophobicContact CH2-CE2 3.9Å; W500-F533 HydrophobicContact CH2-CZ 4.02Å; W500-F533 HydrophobicContact CZ3-CE2 4.11Å; W500-F533 HydrophobicContact CZ3-CZ 4.36Å
501	P	96.6	Very high	94.1	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.319	C	S	.	.	S	Bend	cis	-70.9	161.2	-1.2	31.4	-37.1	0	0	0	113	M505 C506 C509 H510 W520 F528	P501-M505 HydrophobicContact CB-CB 4.11Å; P501-M505 HydrophobicContact CB-CG 4.15Å; P501-M505 HydrophobicContact CB-SD 4.03Å; P501-C506 HydrophobicContact CB-CB 4.21Å; P501-C506 HydrophobicContact CG-CB 3.82Å; P501-C509 HydrophobicContact CG-CB 4.34Å; P501-H510 PolarHBondContact O-CE1 2.88Å; P501-H510 PolarHBondContact O-NE2 3.1Å; P501-H510 VanDerWaalsContact O-NE2 3.17Å; P501-W520 HydrophobicContact CG-CZ3 4.37Å; P501-W520 WeakPolarHBondContact O-CH2 3.15Å; P501-F528 HydrophobicContact CB-CD1 4.3Å; P501-F528 HydrophobicContact CB-CE1 3.53Å; P501-F528 HydrophobicContact CB-CE2 4.4Å; P501-F528 HydrophobicContact CB-CZ 3.6Å; P501-F528 HydrophobicContact CG-CD1 3.82Å; P501-F528 HydrophobicContact CG-CE1 3.53Å; P501-F528 HydrophobicContact CG-CZ 4.03Å
502	S	94.4	Very high	94	Very high	23 Å²	23	63 Å²	63	16%	0.161	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-72	158.3	169.9	63.3	0	0	0	0	111	E504 M505 C506	S502-E504 PolarHBondContact O-N 3.21Å; S502-M505 PolarHBondContact O-N 3.44Å; S502-M505 WeakPolarHBondContact OG-CB 3.37Å; S502-M505 PolarHBondContact OG-N 3.36Å; S502-C506 PolarHBondContact O-N 2.92Å
503	P	92.4	Very high	93.9	Very high	79 Å²	79	67.6 Å²	67.6	51%	0.513	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-31.4	172.9	-27.1	35.3	0	0	0	113.6	M505 C506 P507 H510	P503-M505 VanDerWaalsContact C-N 3.32Å; P503-C506 CarbonylContact O-C 3.53Å; P503-P507 VanDerWaalsContact O-CA 3.25Å; P503-P507 WeakPolarHBondContact O-CA 3.36Å; P503-P507 WeakPolarHBondContact O-CD 3.31Å; P503-P507 WeakPolarHBondContact O-CG 3.22Å; P503-H510 WeakPolarHBondContact CA-NE2 3.26Å
504	E	91.9	Very high	93.9	Very high	184 Å²	184	71.7 Å²	71.7	86%	0.86	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-33.5	174.8	-63.4	174.7	179.3	0	0	112.4	S502	S502-E504 PolarHBondContact O-N 3.21Å
505	M	93.6	Very high	93.9	Very high	49 Å²	49	69.4 Å²	69.4	24%	0.241	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-34.5	-177.6	-173.9	177.1	-67.8	0	0	112.3	W500 P501 S502 P503 F528	W500-M505 HydrophobicContact CZ2-SD 3.75Å; W500-M505 PolarHBondContact NE1-SD 3.45Å; W500-M505 VanDerWaalsContact NE1-SD 3.45Å; P501-M505 HydrophobicContact CB-CB 4.11Å; P501-M505 HydrophobicContact CB-CG 4.15Å; P501-M505 HydrophobicContact CB-SD 4.03Å; S502-M505 PolarHBondContact O-N 3.44Å; S502-M505 WeakPolarHBondContact OG-CB 3.37Å; S502-M505 PolarHBondContact OG-N 3.36Å; P503-M505 VanDerWaalsContact C-N 3.32Å; M505-F528 HydrophobicContact CG-CE2 3.76Å; M505-F528 HydrophobicContact CG-CZ 3.71Å; M505-F528 HydrophobicContact SD-CE2 4.3Å; M505-F528 HydrophobicContact SD-CZ 3.66Å
506	C	95.9	Very high	93.7	Very high	7 Å²	7	70 Å²	70	5%	0.047	39%	0.392	C	S	.	.			trans	-147	81.2	174.8	-176.4	0	0	0	0	111.9	P501 S502 P503 S508 C509 H510 F528	P501-C506 HydrophobicContact CB-CB 4.21Å; P501-C506 HydrophobicContact CG-CB 3.82Å; S502-C506 PolarHBondContact O-N 2.92Å; P503-C506 CarbonylContact O-C 3.53Å; C506-S508 PolarHBondContact O-N 2.84Å; C506-C509 HydrophobicContact CB-CB 3.71Å; C506-C509 WeakPolarHBondContact CB-SG 3.24Å; C506-C509 VanDerWaalsContact O-CB 3.28Å; C506-C509 WeakPolarHBondContact O-CB 3.39Å; C506-C509 PolarHBondContact O-N 3.39Å; C506-C509 WeakPolarHBondContact SG-CB 3.28Å; C506-C509 PolarHBondContact SG-N 3.48Å; C506-C509 VanDerWaalsContact SG-N 3.36Å; C506-C509 CovalentContact SG-SG 2.04Å; C506-C509 PolarHBondContact SG-SG 3.06Å; C506-H510 PolarHBondContact O-CD2 3.28Å; C506-F528 HydrophobicContact CB-CD2 3.65Å; C506-F528 HydrophobicContact CB-CE2 3.97Å; C506-F528 HydrophobicContact CB-CG 3.98Å
507	P	96	Very high	93.4	Very high	95 Å²	95	71.1 Å²	71.1	62%	0.617	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-56.2	-38.6	-178.5	-23.2	29.1	0	0	0	113.3	P503 C509 H510	P503-P507 VanDerWaalsContact O-CA 3.25Å; P503-P507 WeakPolarHBondContact O-CA 3.36Å; P503-P507 WeakPolarHBondContact O-CD 3.31Å; P503-P507 WeakPolarHBondContact O-CG 3.22Å; P507-C509 PolarHBondContact O-N 3.15Å; P507-H510 PolarHBondContact O-N 2.82Å
508	S	96.9	Very high	93.2	Very high	61 Å²	61	72.9 Å²	72.9	43%	0.427	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-69.4	-16.6	179.9	57.8	0	0	0	0	114.2	C506 H510 N521 Q524	C506-S508 PolarHBondContact O-N 2.84Å; S508-H510 VanDerWaalsContact C-N 3.26Å; S508-H510 PolarHBondContact O-N 2.86Å; S508-N521 WeakPolarHBondContact O-CB 3.31Å; S508-Q524 VanDerWaalsContact O-CB 3.27Å; S508-Q524 WeakPolarHBondContact O-CB 3.43Å; S508-Q524 WeakPolarHBondContact O-CG 3.28Å
509	C	97.2	Very high	93.1	Very high	0 Å²	0	71 Å²	71	0%	0	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-74.5	-16.3	175.9	-66.3	0	0	0	0	112.6	P501 C506 P507 W520 N521 V525	P501-C509 HydrophobicContact CG-CB 4.34Å; C506-C509 HydrophobicContact CB-CB 3.71Å; C506-C509 WeakPolarHBondContact CB-SG 3.24Å; C506-C509 VanDerWaalsContact O-CB 3.28Å; C506-C509 WeakPolarHBondContact O-CB 3.39Å; C506-C509 PolarHBondContact O-N 3.39Å; C506-C509 WeakPolarHBondContact SG-CB 3.28Å; C506-C509 PolarHBondContact SG-N 3.48Å; C506-C509 VanDerWaalsContact SG-N 3.36Å; C506-C509 CovalentContact SG-SG 2.04Å; C506-C509 PolarHBondContact SG-SG 3.06Å; P507-C509 PolarHBondContact O-N 3.15Å; C509-W520 HydrophobicContact CB-CE3 4.46Å; C509-W520 HydrophobicContact CB-CZ3 4.39Å; C509-N521 PolarHBondContact O-N 2.96Å; C509-V525 HydrophobicContact CB-CG2 3.84Å
510	H	96	Very high	93.2	Very high	35 Å²	35	69.8 Å²	69.8	16%	0.162	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	137.6	-175.8	-56.4	-100.7	0	0	0	110.9	P501 P503 C506 P507 S508 H518 W520	P501-H510 PolarHBondContact O-CE1 2.88Å; P501-H510 PolarHBondContact O-NE2 3.1Å; P501-H510 VanDerWaalsContact O-NE2 3.17Å; P503-H510 WeakPolarHBondContact CA-NE2 3.26Å; C506-H510 PolarHBondContact O-CD2 3.28Å; P507-H510 PolarHBondContact O-N 2.82Å; S508-H510 VanDerWaalsContact C-N 3.26Å; S508-H510 PolarHBondContact O-N 2.86Å; H510-H518 AromaticContact CG-NE2 3.73Å; H510-H518 AromaticContact ND1-CD2 3.67Å; H510-H518 AromaticContact ND1-CE1 3.9Å; H510-H518 AromaticContact ND1-NE2 3Å; H510-H518 PolarHBondContact ND1-NE2 2.89Å; H510-W520 AromaticContact CE1-CH2 3.48Å; H510-W520 VanDerWaalsContact CE1-CH2 3.48Å; H510-W520 WeakPolarHBondContact CE1-CH2 3.39Å; H510-W520 AromaticContact CE1-CZ3 3.24Å; H510-W520 WeakPolarHBondContact CE1-CZ3 3.19Å; H510-W520 AromaticContact ND1-CZ3 3.7Å; H510-W520 AromaticContact NE2-CZ3 3.66Å
511	T	93.4	Very high	93.1	Very high	54 Å²	54	70 Å²	70	33%	0.331	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	171.4	170.6	56.2	0	0	0	0	109.3	S519 N521	T511-S519 PolarHBondContact N-O 3.28Å; T511-S519 PolarHBondContact O-N 3.08Å; T511-S519 VanDerWaalsContact O-O 3.11Å; T511-S519 WeakPolarHBondContact OG1-CB 3.45Å; T511-S519 PolarHBondContact OG1-O 2.68Å; T511-N521 HydrophobicContact CG2-CB 3.88Å
512	V	91.6	Very high	93	Very high	106 Å²	106	75.3 Å²	75.3	64%	0.642	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	132.6	175.8	-174	0	0	0	0	106.8	G516 E517	V512-G516 VanDerWaalsContact CG1-C 3.48Å; V512-E517 CarbonylContact C-O 3.58Å; V512-E517 WeakPolarHBondContact CA-O 3.44Å
513	K	89.6	Confident	92.9	Very high	99 Å²	99	77.4 Å²	77.4	43%	0.43	43%	0.433	S	S	.	.			trans	-72.8	166.6	172.7	-63	-177.8	-164.9	161.8	0	110.1	N515 G516 E517	K513-N515 WeakPolarHBondContact CB-OD1 3.27Å; K513-N515 PolarHBondContact O-N 3.32Å; K513-G516 PolarHBondContact O-N 3.23Å; K513-E517 HydrophobicContact CD-CB 4.34Å; K513-E517 PolarHBondContact N-O 2.87Å; K513-E517 IonicContact NZ-OE2 2.87Å; K513-E517 PolarHBondContact NZ-OE2 2.6Å; K513-E517 VanDerWaalsContact NZ-OE2 3.13Å
514	D	88.6	Confident	93.1	Very high	182 Å²	182	77.4 Å²	77.4	97%	0.973	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-27	178.4	-58.2	-30.8	0	0	0	113.6	G516	D514-G516 VanDerWaalsContact C-N 3.29Å; D514-G516 PolarHBondContact O-N 3.33Å
515	N	90	Very high	93.4	Very high	103 Å²	103	68.6 Å²	68.6	55%	0.551	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	5.4	176.9	68.3	-7.3	0	0	0	114.2	K513 E517	K513-N515 WeakPolarHBondContact CB-OD1 3.27Å; K513-N515 PolarHBondContact O-N 3.32Å; N515-E517 VanDerWaalsContact C-N 3.31Å; N515-E517 PolarHBondContact ND2-OE1 3.46Å; N515-E517 PolarHBondContact ND2-OE2 2.83Å; N515-E517 VanDerWaalsContact ND2-OE2 3.13Å; N515-E517 PolarHBondContact O-N 2.92Å; N515-E517 VanDerWaalsContact OD1-CB 3.31Å; N515-E517 WeakPolarHBondContact OD1-CB 3.49Å; N515-E517 WeakPolarHBondContact OD1-CG 3.34Å; N515-E517 PolarHBondContact OD1-N 2.91Å; N515-E517 VanDerWaalsContact OD1-N 3.11Å
516	G	87.2	Confident	93.5	Very high	58 Å²	58	68.7 Å²	68.7	60%	0.598	39%	0.386	S	S	*	.	S	Bend	trans	82.9	-0.7	-178.9	0	0	0	0	0	114.9	V512 K513 D514	V512-G516 VanDerWaalsContact CG1-C 3.48Å; K513-G516 PolarHBondContact O-N 3.23Å; D514-G516 VanDerWaalsContact C-N 3.29Å; D514-G516 PolarHBondContact O-N 3.33Å
517	E	88.1	Confident	93.5	Very high	102 Å²	102	71.6 Å²	71.6	48%	0.477	41%	0.405	S	S	.	.			trans	-76.6	146.9	177.2	-68.1	177.7	169.6	0	0	112.2	V512 K513 N515	V512-E517 CarbonylContact C-O 3.58Å; V512-E517 WeakPolarHBondContact CA-O 3.44Å; K513-E517 HydrophobicContact CD-CB 4.34Å; K513-E517 PolarHBondContact N-O 2.87Å; K513-E517 IonicContact NZ-OE2 2.87Å; K513-E517 PolarHBondContact NZ-OE2 2.6Å; K513-E517 VanDerWaalsContact NZ-OE2 3.13Å; N515-E517 VanDerWaalsContact C-N 3.31Å; N515-E517 PolarHBondContact ND2-OE1 3.46Å; N515-E517 PolarHBondContact ND2-OE2 2.83Å; N515-E517 VanDerWaalsContact ND2-OE2 3.13Å; N515-E517 PolarHBondContact O-N 2.92Å; N515-E517 VanDerWaalsContact OD1-CB 3.31Å; N515-E517 WeakPolarHBondContact OD1-CB 3.49Å; N515-E517 WeakPolarHBondContact OD1-CG 3.34Å; N515-E517 PolarHBondContact OD1-N 2.91Å; N515-E517 VanDerWaalsContact OD1-N 3.11Å
518	H	91.7	Very high	93.6	Very high	92 Å²	92	68.6 Å²	68.6	43%	0.426	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	141.8	171.7	171	-101.5	0	0	0	111.7	H510 W520	H510-H518 AromaticContact CG-NE2 3.73Å; H510-H518 AromaticContact ND1-CD2 3.67Å; H510-H518 AromaticContact ND1-CE1 3.9Å; H510-H518 AromaticContact ND1-NE2 3Å; H510-H518 PolarHBondContact ND1-NE2 2.89Å; H518-W520 AromaticContact CE1-CD2 3.68Å; H518-W520 AromaticContact CE1-CE2 3.55Å; H518-W520 AromaticContact CE1-CZ2 3.99Å; H518-W520 AromaticContact CE1-NE1 3.73Å
519	S	92.5	Very high	93.7	Very high	38 Å²	38	65.7 Å²	65.7	27%	0.266	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	158	170.7	-172.3	0	0	0	0	110.8	T511	T511-S519 PolarHBondContact N-O 3.28Å; T511-S519 PolarHBondContact O-N 3.08Å; T511-S519 VanDerWaalsContact O-O 3.11Å; T511-S519 WeakPolarHBondContact OG1-CB 3.45Å; T511-S519 PolarHBondContact OG1-O 2.68Å
520	W	95.9	Very high	93.6	Very high	50 Å²	50	66.8 Å²	66.8	19%	0.189	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.6	178.7	-69	109.7	0	0	0	110.8	W475 Q499 P501 C509 H510 H518 E522 V525	W475-W520 HydrophobicContact CH2-CB 4.08Å; W475-W520 AromaticContact CH2-CD1 3.81Å; W475-W520 AromaticContact CH2-CD2 3.57Å; W475-W520 HydrophobicContact CH2-CD2 3.57Å; W475-W520 AromaticContact CH2-CE2 3.77Å; W475-W520 HydrophobicContact CH2-CE3 4.1Å; W475-W520 AromaticContact CH2-CG 3.58Å; W475-W520 HydrophobicContact CH2-CG 3.58Å; W475-W520 HydrophobicContact CH2-CZ2 4.42Å; W475-W520 AromaticContact CH2-NE1 3.91Å; W475-W520 AromaticContact CZ2-CD2 3.62Å; W475-W520 HydrophobicContact CZ2-CD2 3.62Å; W475-W520 AromaticContact CZ2-CE2 3.62Å; W475-W520 AromaticContact CZ2-CE3 3.8Å; W475-W520 HydrophobicContact CZ2-CE3 3.8Å; W475-W520 HydrophobicContact CZ2-CG 4.15Å; W475-W520 HydrophobicContact CZ2-CH2 4.03Å; W475-W520 AromaticContact CZ2-CZ2 3.82Å; W475-W520 HydrophobicContact CZ2-CZ2 3.82Å; W475-W520 HydrophobicContact CZ2-CZ3 4.02Å; Q499-W520 HydrophobicContact CB-CZ2 4Å; P501-W520 HydrophobicContact CG-CZ3 4.37Å; P501-W520 WeakPolarHBondContact O-CH2 3.15Å; C509-W520 HydrophobicContact CB-CE3 4.46Å; C509-W520 HydrophobicContact CB-CZ3 4.39Å; H510-W520 AromaticContact CE1-CH2 3.48Å; H510-W520 VanDerWaalsContact CE1-CH2 3.48Å; H510-W520 WeakPolarHBondContact CE1-CH2 3.39Å; H510-W520 AromaticContact CE1-CZ3 3.24Å; H510-W520 WeakPolarHBondContact CE1-CZ3 3.19Å; H510-W520 AromaticContact ND1-CZ3 3.7Å; H510-W520 AromaticContact NE2-CZ3 3.66Å; H518-W520 AromaticContact CE1-CD2 3.68Å; H518-W520 AromaticContact CE1-CE2 3.55Å; H518-W520 AromaticContact CE1-CZ2 3.99Å; H518-W520 AromaticContact CE1-NE1 3.73Å; W520-E522 PolarHBondContact O-N 3.31Å; W520-V525 HydrophobicContact CE3-CG2 4.06Å
521	N	95.9	Very high	93.6	Very high	53 Å²	53	67.1 Å²	67.1	28%	0.283	38%	0.379	S	S	.	.			trans	-87.6	86	166.3	-170.9	-14.6	0	0	0	109.6	S508 C509 T511 A523 Q524 V525	S508-N521 WeakPolarHBondContact O-CB 3.31Å; C509-N521 PolarHBondContact O-N 2.96Å; T511-N521 HydrophobicContact CG2-CB 3.88Å; N521-A523 PolarHBondContact O-N 2.83Å; N521-A523 VanDerWaalsContact O-N 3.12Å; N521-A523 PolarHBondContact OD1-N 3.23Å; N521-Q524 HydrophobicContact CB-CB 4.29Å; N521-Q524 HydrophobicContact CB-CG 4.34Å; N521-Q524 WeakPolarHBondContact ND2-CG 3.35Å; N521-Q524 PolarHBondContact O-N 2.75Å; N521-V525 WeakPolarHBondContact O-CG2 3.37Å; N521-V525 PolarHBondContact O-N 3.22Å
522	E	93.7	Very high	93.7	Very high	112 Å²	112	65.5 Å²	65.5	52%	0.523	37%	0.368	S	S	.	.	H	α-helix	trans	-55.7	-32.3	-176.6	-65.5	-173.5	177.7	0	0	113.2	L472 W520 Q524 V525 I526	L472-E522 HydrophobicContact CD1-CB 4.21Å; W520-E522 PolarHBondContact O-N 3.31Å; E522-Q524 PolarHBondContact O-N 2.98Å; E522-V525 PolarHBondContact O-N 3.01Å; E522-I526 PolarHBondContact O-N 3.18Å; E522-I526 VanDerWaalsContact O-N 3.14Å
523	A	93.1	Very high	94	Very high	66 Å²	66	61 Å²	61	55%	0.545	34%	0.34	S	S	.	.	H	α-helix	trans	-63.9	-24.1	176.5	0	0	0	0	0	113.1	N521 P527	N521-A523 PolarHBondContact O-N 2.83Å; N521-A523 VanDerWaalsContact O-N 3.12Å; N521-A523 PolarHBondContact OD1-N 3.23Å; A523-P527 WeakPolarHBondContact O-CD 3.24Å; A523-P527 WeakPolarHBondContact O-CG 2.9Å
524	Q	96.9	Very high	94.2	Very high	79 Å²	79	57.1 Å²	57.1	37%	0.369	33%	0.326	S	S	.	.	H	α-helix	trans	-99	-24.9	175.4	-61.3	-60	-48.6	0	0	112.5	S508 N521 E522 P527 F528	S508-Q524 VanDerWaalsContact O-CB 3.27Å; S508-Q524 WeakPolarHBondContact O-CB 3.43Å; S508-Q524 WeakPolarHBondContact O-CG 3.28Å; N521-Q524 HydrophobicContact CB-CB 4.29Å; N521-Q524 HydrophobicContact CB-CG 4.34Å; N521-Q524 WeakPolarHBondContact ND2-CG 3.35Å; N521-Q524 PolarHBondContact O-N 2.75Å; E522-Q524 PolarHBondContact O-N 2.98Å; Q524-P527 WeakPolarHBondContact O-CD 3.26Å; Q524-P527 VanDerWaalsContact O-CG 3.32Å; Q524-P527 WeakPolarHBondContact O-CG 3.34Å; Q524-F528 WeakPolarHBondContact O-CB 3.47Å; Q524-F528 PolarHBondContact O-N 3.1Å
525	V	97.6	Very high	94.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-64.5	-46.4	173.8	174.2	0	0	0	0	111.1	L472 W475 C509 W520 N521 E522 F528 L529	L472-V525 HydrophobicContact CD2-CB 4.25Å; L472-V525 HydrophobicContact CD2-CG1 3.78Å; W475-V525 HydrophobicContact CD2-CG1 3.92Å; W475-V525 HydrophobicContact CE3-CG1 4.18Å; W475-V525 HydrophobicContact CG-CG1 4.46Å; W475-V525 HydrophobicContact CH2-CG1 4.25Å; W475-V525 HydrophobicContact CH2-CG2 4.28Å; W475-V525 HydrophobicContact CZ2-CG1 3.99Å; W475-V525 HydrophobicContact CZ2-CG2 4.22Å; W475-V525 HydrophobicContact CZ3-CG1 4.34Å; C509-V525 HydrophobicContact CB-CG2 3.84Å; W520-V525 HydrophobicContact CE3-CG2 4.06Å; N521-V525 WeakPolarHBondContact O-CG2 3.37Å; N521-V525 PolarHBondContact O-N 3.22Å; E522-V525 PolarHBondContact O-N 3.01Å; V525-F528 WeakPolarHBondContact O-CB 3.45Å; V525-F528 PolarHBondContact O-N 3.2Å; V525-L529 HydrophobicContact CG1-CD1 3.69Å; V525-L529 HydrophobicContact CG1-CG 4Å; V525-L529 VanDerWaalsContact O-CG 3.31Å; V525-L529 WeakPolarHBondContact O-CG 3.27Å; V525-L529 PolarHBondContact O-N 2.84Å
526	I	95.8	Very high	94.4	Very high	50 Å²	50	51.1 Å²	51.1	26%	0.256	31%	0.306	S	S	.	.	H	α-helix	trans	-54.2	-55.8	179	-68.3	166.5	0	0	0	112.7	P468 L472 E522 F528 L529 G530	P468-I526 HydrophobicContact CB-CD1 3.95Å; L472-I526 HydrophobicContact CD1-CD1 3.66Å; L472-I526 HydrophobicContact CD1-CG1 3.79Å; L472-I526 HydrophobicContact CD2-CG1 3.79Å; L472-I526 HydrophobicContact CG-CD1 4.06Å; L472-I526 HydrophobicContact CG-CG1 3.65Å; E522-I526 PolarHBondContact O-N 3.18Å; E522-I526 VanDerWaalsContact O-N 3.14Å; I526-F528 VanDerWaalsContact C-N 3.25Å; I526-F528 PolarHBondContact O-N 3.26Å; I526-L529 PolarHBondContact O-N 2.85Å; I526-G530 PolarHBondContact O-N 3.05Å
527	P	96.6	Very high	94.5	Very high	68 Å²	68	53.4 Å²	53.4	44%	0.442	30%	0.296	S	S	.	.	H	α-helix	trans	-64.8	-31.1	-179.8	23.7	-33.1	0	0	0	112.3	A523 Q524 S531	A523-P527 WeakPolarHBondContact O-CD 3.24Å; A523-P527 WeakPolarHBondContact O-CG 2.9Å; Q524-P527 WeakPolarHBondContact O-CD 3.26Å; Q524-P527 VanDerWaalsContact O-CG 3.32Å; Q524-P527 WeakPolarHBondContact O-CG 3.34Å; P527-S531 WeakPolarHBondContact O-CB 3.38Å; P527-S531 PolarHBondContact O-N 2.94Å
528	F	97.5	Very high	94.8	Very high	32 Å²	32	49.4 Å²	49.4	14%	0.14	28%	0.278	C	S	.	.	H	α-helix	trans	-62.3	-50.3	171.7	169	-95.9	0	0	0	111.9	W500 P501 M505 C506 Q524 V525 I526 G530 S531 H532	W500-F528 AromaticContact CH2-CE1 3.42Å; W500-F528 HydrophobicContact CH2-CE1 3.42Å; W500-F528 VanDerWaalsContact CH2-CE1 3.42Å; W500-F528 AromaticContact CH2-CZ 3.91Å; W500-F528 HydrophobicContact CH2-CZ 3.91Å; W500-F528 AromaticContact CZ2-CE1 3.81Å; W500-F528 HydrophobicContact CZ2-CE1 3.81Å; W500-F528 AromaticContact CZ2-CZ 3.85Å; W500-F528 HydrophobicContact CZ2-CZ 3.85Å; W500-F528 AromaticContact CZ3-CE1 3.83Å; W500-F528 HydrophobicContact CZ3-CE1 3.83Å; P501-F528 HydrophobicContact CB-CD1 4.3Å; P501-F528 HydrophobicContact CB-CE1 3.53Å; P501-F528 HydrophobicContact CB-CE2 4.4Å; P501-F528 HydrophobicContact CB-CZ 3.6Å; P501-F528 HydrophobicContact CG-CD1 3.82Å; P501-F528 HydrophobicContact CG-CE1 3.53Å; P501-F528 HydrophobicContact CG-CZ 4.03Å; M505-F528 HydrophobicContact CG-CE2 3.76Å; M505-F528 HydrophobicContact CG-CZ 3.71Å; M505-F528 HydrophobicContact SD-CE2 4.3Å; M505-F528 HydrophobicContact SD-CZ 3.66Å; C506-F528 HydrophobicContact CB-CD2 3.65Å; C506-F528 HydrophobicContact CB-CE2 3.97Å; C506-F528 HydrophobicContact CB-CG 3.98Å; Q524-F528 WeakPolarHBondContact O-CB 3.47Å; Q524-F528 PolarHBondContact O-N 3.1Å; V525-F528 WeakPolarHBondContact O-CB 3.45Å; V525-F528 PolarHBondContact O-N 3.2Å; I526-F528 VanDerWaalsContact C-N 3.25Å; I526-F528 PolarHBondContact O-N 3.26Å; F528-G530 PolarHBondContact O-N 2.67Å; F528-S531 WeakPolarHBondContact O-CB 3.46Å; F528-S531 PolarHBondContact O-N 3.28Å; F528-H532 HydrophobicContact CE1-CB 4.48Å; F528-H532 HydrophobicContact CZ-CB 4.33Å; F528-H532 WeakPolarHBondContact O-CB 3.32Å; F528-H532 PolarHBondContact O-N 3.45Å
529	L	97.9	Very high	94.8	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-61.6	-44.9	177.3	-64.9	175	0	0	0	111.2	V471 L472 W475 W500 V525 I526 S531 H532 F533	V471-L529 HydrophobicContact CG1-CB 3.99Å; V471-L529 HydrophobicContact CG1-CD1 3.68Å; V471-L529 HydrophobicContact CG1-CG 4.48Å; L472-L529 HydrophobicContact CD2-CD1 4.41Å; W475-L529 HydrophobicContact CB-CD1 3.78Å; W475-L529 HydrophobicContact CG-CD1 3.88Å; W475-L529 HydrophobicContact CG-CD2 4.38Å; W500-L529 HydrophobicContact CH2-CD2 4.06Å; W500-L529 HydrophobicContact CZ3-CD2 3.46Å; W500-L529 VanDerWaalsContact CZ3-CD2 3.46Å; V525-L529 HydrophobicContact CG1-CD1 3.69Å; V525-L529 HydrophobicContact CG1-CG 4Å; V525-L529 VanDerWaalsContact O-CG 3.31Å; V525-L529 WeakPolarHBondContact O-CG 3.27Å; V525-L529 PolarHBondContact O-N 2.84Å; I526-L529 PolarHBondContact O-N 2.85Å; L529-S531 PolarHBondContact O-N 2.84Å; L529-H532 PolarHBondContact O-N 3.36Å; L529-F533 HydrophobicContact CB-CD2 4.47Å; L529-F533 HydrophobicContact CD2-CD2 4.33Å; L529-F533 HydrophobicContact CD2-CE2 3.89Å; L529-F533 WeakPolarHBondContact O-CD2 3.49Å; L529-F533 PolarHBondContact O-N 3.3Å
530	G	96.3	Very high	94.3	Very high	22 Å²	22	48.1 Å²	48.1	23%	0.227	27%	0.273	C	S	.	.	H	α-helix	trans	-58.1	-35.7	175.9	0	0	0	0	0	112.5	I526 F528 S534	I526-G530 PolarHBondContact O-N 3.05Å; F528-G530 PolarHBondContact O-N 2.67Å; G530-S534 VanDerWaalsContact O-CB 3.28Å; G530-S534 WeakPolarHBondContact O-CB 3.17Å; G530-S534 PolarHBondContact O-N 3.25Å
531	S	95.6	Very high	92.7	Very high	42 Å²	42	47.3 Å²	47.3	29%	0.294	27%	0.274	S	S	.	.	H	α-helix	trans	-74.7	-51.5	173.2	-162.7	0	0	0	0	112	P527 F528 L529 F533 S534 R537	P527-S531 WeakPolarHBondContact O-CB 3.38Å; P527-S531 PolarHBondContact O-N 2.94Å; F528-S531 WeakPolarHBondContact O-CB 3.46Å; F528-S531 PolarHBondContact O-N 3.28Å; L529-S531 PolarHBondContact O-N 2.84Å; S531-F533 PolarHBondContact O-N 2.78Å; S531-S534 WeakPolarHBondContact O-CB 3.47Å; S531-S534 PolarHBondContact O-N 2.62Å; S531-R537 WeakPolarHBondContact O-CD 3.48Å; S531-R537 PolarHBondContact OG-NE 3.17Å; S531-R537 PolarHBondContact OG-NH1 2.89Å; S531-R537 VanDerWaalsContact OG-NH1 3.11Å
532	H	95.9	Very high	90.7	Very high	20 Å²	20	50.1 Å²	50.1	9%	0.093	29%	0.293	C	S	.	.	H	α-helix	trans	-60.4	-43.3	-174.2	-173.3	93.4	0	0	0	112.3	W500 F528 L529	W500-H532 AromaticContact CH2-CD2 3.92Å; W500-H532 AromaticContact CZ2-CE1 3.81Å; W500-H532 AromaticContact CZ2-ND1 3.98Å; W500-H532 AromaticContact CZ2-NE2 3.89Å; F528-H532 HydrophobicContact CE1-CB 4.48Å; F528-H532 HydrophobicContact CZ-CB 4.33Å; F528-H532 WeakPolarHBondContact O-CB 3.32Å; F528-H532 PolarHBondContact O-N 3.45Å; L529-H532 PolarHBondContact O-N 3.36Å
533	F	97.4	Very high	88.3	Confident	11 Å²	11	47 Å²	47	5%	0.048	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	11.1	-178.7	-61.6	-68.8	0	0	0	113.8	V300 T412 H415 V416 V419 W500 L529 S531	V300-F533 HydrophobicContact CG2-CD1 3.85Å; V300-F533 HydrophobicContact CG2-CE1 4.09Å; T412-F533 HydrophobicContact CG2-CE1 4.4Å; H415-F533 HydrophobicContact CB-CD1 3.83Å; H415-F533 HydrophobicContact CB-CD2 3.94Å; H415-F533 HydrophobicContact CB-CE1 3.59Å; H415-F533 HydrophobicContact CB-CE2 3.7Å; H415-F533 HydrophobicContact CB-CG 4.01Å; H415-F533 HydrophobicContact CB-CZ 3.53Å; H415-F533 AromaticContact CG-CE2 3.97Å; H415-F533 AromaticContact CG-CZ 3.82Å; V416-F533 HydrophobicContact CG2-CB 4.1Å; V416-F533 HydrophobicContact CG2-CD1 3.79Å; V416-F533 HydrophobicContact CG2-CG 4.4Å; V419-F533 HydrophobicContact CB-CB 4.05Å; V419-F533 HydrophobicContact CG1-CB 4.25Å; V419-F533 HydrophobicContact CG2-CB 3.94Å; V419-F533 HydrophobicContact CG2-CD2 4.39Å; W500-F533 AromaticContact CH2-CE2 3.9Å; W500-F533 HydrophobicContact CH2-CE2 3.9Å; W500-F533 HydrophobicContact CH2-CZ 4.02Å; W500-F533 HydrophobicContact CZ3-CE2 4.11Å; W500-F533 HydrophobicContact CZ3-CZ 4.36Å; L529-F533 HydrophobicContact CB-CD2 4.47Å; L529-F533 HydrophobicContact CD2-CD2 4.33Å; L529-F533 HydrophobicContact CD2-CE2 3.89Å; L529-F533 WeakPolarHBondContact O-CD2 3.49Å; L529-F533 PolarHBondContact O-N 3.3Å; S531-F533 PolarHBondContact O-N 2.78Å
534	S	94.3	Very high	86	Confident	19 Å²	19	47.4 Å²	47.4	13%	0.133	28%	0.276	C	S	.	.			trans	-62.3	136.9	175.5	-178.3	0	0	0	0	111.3	G530 S531 S536 R537	G530-S534 VanDerWaalsContact O-CB 3.28Å; G530-S534 WeakPolarHBondContact O-CB 3.17Å; G530-S534 PolarHBondContact O-N 3.25Å; S531-S534 WeakPolarHBondContact O-CB 3.47Å; S531-S534 PolarHBondContact O-N 2.62Å; S534-S536 PolarHBondContact O-N 3.04Å; S534-S536 VanDerWaalsContact O-N 3.11Å; S534-S536 PolarHBondContact OG-N 3.25Å; S534-S536 PolarHBondContact OG-OG 3.04Å; S534-R537 PolarHBondContact O-N 3.24Å
535	S	92.4	Very high	83.4	Confident	57 Å²	57	48.4 Å²	48.4	40%	0.399	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-50.4	-36.4	171.6	60.3	0	0	0	0	113.4	R537 I538	S535-R537 PolarHBondContact O-N 2.8Å; S535-I538 PolarHBondContact O-N 2.93Å
536	S	90	Very high	80.5	Confident	101 Å²	101	50.2 Å²	50.2	71%	0.706	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-67	-19.2	179.2	67.6	0	0	0	0	114.6	S534	S534-S536 PolarHBondContact O-N 3.04Å; S534-S536 VanDerWaalsContact O-N 3.11Å; S534-S536 PolarHBondContact OG-N 3.25Å; S534-S536 PolarHBondContact OG-OG 3.04Å
537	R	90.4	Very high	77.9	Confident	106 Å²	106	55 Å²	55	40%	0.4	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-103.9	-2.6	-177.2	-74.5	-173.4	150.9	-153.3	8.5	113.5	S531 S534 S535	S531-R537 WeakPolarHBondContact O-CD 3.48Å; S531-R537 PolarHBondContact OG-NE 3.17Å; S531-R537 PolarHBondContact OG-NH1 2.89Å; S531-R537 VanDerWaalsContact OG-NH1 3.11Å; S534-R537 PolarHBondContact O-N 3.24Å; S535-R537 PolarHBondContact O-N 2.8Å
538	I	93.1	Very high	75.4	Confident	19 Å²	19	56.5 Å²	56.5	10%	0.097	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-73.5	127.2	176.6	-59.9	173	0	0	0	109.9	V300 M302 L305 P343 V416 S535	V300-I538 HydrophobicContact CB-CG1 4.3Å; V300-I538 HydrophobicContact CG1-CG1 4.23Å; V300-I538 HydrophobicContact CG1-CG2 4.45Å; V300-I538 CarbonylContact O-C 3.14Å; V300-I538 WeakPolarHBondContact O-CA 3.29Å; M302-I538 HydrophobicContact CB-CG2 4.02Å; M302-I538 HydrophobicContact CE-CG2 3.85Å; L305-I538 HydrophobicContact CD1-CD1 3.87Å; L305-I538 HydrophobicContact CD1-CG2 4.36Å; P343-I538 HydrophobicContact CB-CD1 4.12Å; P343-I538 HydrophobicContact CG-CD1 3.45Å; P343-I538 VanDerWaalsContact CG-CD1 3.45Å; V416-I538 HydrophobicContact CG1-CD1 4.32Å; S535-I538 PolarHBondContact O-N 2.93Å
539	L	91.2	Very high	72.7	Confident	43 Å²	43	62.2 Å²	62.2	23%	0.225	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-89.3	128	-179.6	-63.1	-179.1	0	0	0	111.4	R299 V300 Y301 M302	R299-L539 HydrophobicContact CB-CD1 3.83Å; R299-L539 HydrophobicContact CB-CG 4.26Å; R299-L539 HydrophobicContact CG-CD1 3.94Å; R299-L539 HydrophobicContact CG-CG 4.47Å; V300-L539 PolarHBondContact O-N 3.39Å; Y301-L539 WeakPolarHBondContact CA-O 3.49Å; Y301-L539 HydrophobicContact CD1-CB 3.77Å; Y301-L539 HydrophobicContact CD1-CD1 4.32Å; Y301-L539 HydrophobicContact CE1-CB 3.92Å; Y301-L539 HydrophobicContact CE1-CD1 3.64Å; Y301-L539 HydrophobicContact CE1-CG 4.4Å; M302-L539 PolarHBondContact N-O 3.31Å
540	T	82.6	Confident	70.2	Confident	59 Å²	59	70.3 Å²	70.3	36%	0.362	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-92.1	142.1	168.7	59.3	0	0	0	0	109.7	M302 V542 S543	M302-T540 HydrophobicContact CB-CG2 4.13Å; T540-V542 PolarHBondContact O-N 3.21Å; T540-V542 VanDerWaalsContact O-N 3.08Å; T540-S543 VanDerWaalsContact O-CB 3.32Å; T540-S543 WeakPolarHBondContact O-CB 3.27Å; T540-S543 PolarHBondContact O-N 3.36Å; T540-S543 PolarHBondContact O-OG 2.69Å
541	V	62	Low	68	Low	33 Å²	33	72.7 Å²	72.7	20%	0.2	40%	0.395	C	S	.	.	H	α-helix	trans	-58.7	-26.4	-176.3	178.8	0	0	0	0	112.5	A303 S543 L544 L545	A303-V541 HydrophobicContact CB-CG2 3.88Å; V541-S543 PolarHBondContact O-N 3.04Å; V541-L544 PolarHBondContact O-N 2.92Å; V541-L544 VanDerWaalsContact O-N 3.16Å; V541-L545 HydrophobicContact CG1-CD1 4.24Å; V541-L545 PolarHBondContact O-N 3.22Å; V541-L545 VanDerWaalsContact O-N 3.16Å
542	V	53.6	Low	65.6	Low	112 Å²	112	76 Å²	76	68%	0.679	41%	0.406	S	S	*	.	H	α-helix	trans	-58.3	-35.4	172.2	-179	0	0	0	0	112	T540 L544 L545 G546	T540-V542 PolarHBondContact O-N 3.21Å; T540-V542 VanDerWaalsContact O-N 3.08Å; V542-L544 VanDerWaalsContact C-N 3.28Å; V542-L544 PolarHBondContact O-N 3.25Å; V542-L545 PolarHBondContact O-N 3.21Å; V542-G546 PolarHBondContact O-N 3.16Å
543	S	43.8	Very low	63.5	Low	48 Å²	48	81.7 Å²	81.7	34%	0.336	43%	0.433	S	S	.	.	H	α-helix	trans	-67.1	-26.2	178.8	71.8	0	0	0	0	113.7	T540 V541	T540-S543 VanDerWaalsContact O-CB 3.32Å; T540-S543 WeakPolarHBondContact O-CB 3.27Å; T540-S543 PolarHBondContact O-N 3.36Å; T540-S543 PolarHBondContact O-OG 2.69Å; V541-S543 PolarHBondContact O-N 3.04Å
544	L	45.4	Very low	61.5	Low	73 Å²	73	87 Å²	87	38%	0.382	46%	0.461	S	S	.	.	H	α-helix	trans	-83.3	-41.2	175.2	-67.4	171.9	0	0	0	111.5	Y301 V541 V542 K547 N548	Y301-L544 HydrophobicContact CE1-CD1 4.03Å; V541-L544 PolarHBondContact O-N 2.92Å; V541-L544 VanDerWaalsContact O-N 3.16Å; V542-L544 VanDerWaalsContact C-N 3.28Å; V542-L544 PolarHBondContact O-N 3.25Å; L544-K547 PolarHBondContact O-N 2.7Å; L544-N548 PolarHBondContact O-N 3.48Å
545	L	42.6	Very low	59.8	Low	101 Å²	101	91.8 Å²	91.8	53%	0.529	48%	0.481	S	S	.	.	H	α-helix	trans	-68.5	-33.2	176.4	-70.1	171.4	0	0	0	112.6	V541 V542 K547 N548 K549	V541-L545 HydrophobicContact CG1-CD1 4.24Å; V541-L545 PolarHBondContact O-N 3.22Å; V541-L545 VanDerWaalsContact O-N 3.16Å; V542-L545 PolarHBondContact O-N 3.21Å; L545-K547 VanDerWaalsContact C-N 3.31Å; L545-K547 PolarHBondContact O-N 3.15Å; L545-N548 PolarHBondContact O-N 3.42Å; L545-K549 WeakPolarHBondContact O-CB 3.32Å; L545-K549 PolarHBondContact O-N 2.99Å
546	G	36.7	Very low	58.2	Low	38 Å²	38	96.1 Å²	96.1	39%	0.392	49%	0.493	S	S	.	.	H	α-helix	trans	-65.5	-31.5	176	0	0	0	0	0	113.4	V542 K550	V542-G546 PolarHBondContact O-N 3.16Å; G546-K550 PolarHBondContact O-N 2.89Å
547	K	41.3	Very low	57.1	Low	150 Å²	150	95.6 Å²	95.6	65%	0.652	49%	0.485	S	S	*	.	H	α-helix	trans	-71.9	-44.4	171.6	-72.8	-178	177.8	-178.5	0	111.1	L544 L545 K550 V551	L544-K547 PolarHBondContact O-N 2.7Å; L545-K547 VanDerWaalsContact C-N 3.31Å; L545-K547 PolarHBondContact O-N 3.15Å; K547-K550 PolarHBondContact O-N 3.42Å; K547-V551 WeakPolarHBondContact O-CB 3.49Å; K547-V551 VanDerWaalsContact O-CG2 3.24Å; K547-V551 WeakPolarHBondContact O-CG2 3.19Å; K547-V551 PolarHBondContact O-N 3.19Å
548	N	42.5	Very low	56	Low	100 Å²	100	93.6 Å²	93.6	54%	0.535	49%	0.485	S	S	.	.	H	α-helix	trans	-69.3	-35.4	179	-75.9	-7.4	0	0	0	113.5	L544 L545 V551 Q552	L544-N548 PolarHBondContact O-N 3.48Å; L545-N548 PolarHBondContact O-N 3.42Å; N548-V551 PolarHBondContact O-N 3.48Å; N548-Q552 VanDerWaalsContact O-CB 3.28Å; N548-Q552 WeakPolarHBondContact O-CB 3.37Å; N548-Q552 WeakPolarHBondContact O-CG 3.39Å; N548-Q552 PolarHBondContact O-N 3.32Å
549	K	42	Very low	54.8	Low	152 Å²	152	95.2 Å²	95.2	66%	0.661	50%	0.501	S	S	*	.	H	α-helix	trans	-65.2	-45.1	172.5	-88.4	-169.7	173.9	-176.1	0	111.7	L545 V551 Q552 E553	L545-K549 WeakPolarHBondContact O-CB 3.32Å; L545-K549 PolarHBondContact O-N 2.99Å; K549-V551 VanDerWaalsContact C-N 3.34Å; K549-V551 PolarHBondContact O-N 3.27Å; K549-Q552 PolarHBondContact O-N 3.37Å; K549-E553 WeakPolarHBondContact O-CB 3.48Å; K549-E553 WeakPolarHBondContact O-CG 3.38Å; K549-E553 PolarHBondContact O-N 3.18Å
550	K	44.9	Very low	53.7	Low	170 Å²	170	98.7 Å²	98.7	74%	0.739	52%	0.519	S	S	*	.	H	α-helix	trans	-62.5	-41	175.1	-89.7	-174.6	173.3	-177.3	0	112	G546 K547 L554	G546-K550 PolarHBondContact O-N 2.89Å; K547-K550 PolarHBondContact O-N 3.42Å; K550-L554 VanDerWaalsContact O-CB 3.25Å; K550-L554 WeakPolarHBondContact O-CB 3.3Å; K550-L554 PolarHBondContact O-N 3.11Å
551	V	50.9	Low	53.1	Low	73 Å²	73	105.6 Å²	105.6	44%	0.442	54%	0.539	S	S	.	.	H	α-helix	trans	-67.7	-42.7	177	172.1	0	0	0	0	111.4	K547 N548 K549 L554 Q555	K547-V551 WeakPolarHBondContact O-CB 3.49Å; K547-V551 VanDerWaalsContact O-CG2 3.24Å; K547-V551 WeakPolarHBondContact O-CG2 3.19Å; K547-V551 PolarHBondContact O-N 3.19Å; N548-V551 PolarHBondContact O-N 3.48Å; K549-V551 VanDerWaalsContact C-N 3.34Å; K549-V551 PolarHBondContact O-N 3.27Å; V551-L554 PolarHBondContact O-N 3.11Å; V551-Q555 HydrophobicContact CG1-CG 4.47Å; V551-Q555 WeakPolarHBondContact O-CB 3.34Å; V551-Q555 VanDerWaalsContact O-CG 3.22Å; V551-Q555 WeakPolarHBondContact O-CG 3.29Å; V551-Q555 PolarHBondContact O-N 3.12Å
552	Q	44.9	Very low	53.4	Low	112 Å²	112	112.2 Å²	112.2	52%	0.523	56%	0.56	S	S	.	*	H	α-helix	trans	-67.1	-39.2	175.7	-85.2	-177.2	-15.3	0	0	112.7	N548 K549 Q555 K556	N548-Q552 VanDerWaalsContact O-CB 3.28Å; N548-Q552 WeakPolarHBondContact O-CB 3.37Å; N548-Q552 WeakPolarHBondContact O-CG 3.39Å; N548-Q552 PolarHBondContact O-N 3.32Å; K549-Q552 PolarHBondContact O-N 3.37Å; Q552-Q555 PolarHBondContact O-N 3.43Å; Q552-K556 WeakPolarHBondContact O-CB 3.5Å; Q552-K556 VanDerWaalsContact O-CG 3.25Å; Q552-K556 WeakPolarHBondContact O-CG 3.49Å; Q552-K556 PolarHBondContact O-N 2.89Å
553	E	52.2	Low	54.3	Low	138 Å²	138	110 Å²	110	65%	0.645	55%	0.547	S	S	*	.	H	α-helix	trans	-66.9	-42	173.9	-75.7	-139	151.3	0	0	111.3	K549 Q555 K556 V557	K549-E553 WeakPolarHBondContact O-CB 3.48Å; K549-E553 WeakPolarHBondContact O-CG 3.38Å; K549-E553 PolarHBondContact O-N 3.18Å; E553-Q555 VanDerWaalsContact C-N 3.31Å; E553-Q555 PolarHBondContact O-N 3.33Å; E553-K556 PolarHBondContact O-N 3.41Å; E553-V557 WeakPolarHBondContact O-CB 3.45Å; E553-V557 VanDerWaalsContact O-CG2 3.23Å; E553-V557 WeakPolarHBondContact O-CG2 3.22Å; E553-V557 PolarHBondContact O-N 3.46Å
554	L	54.2	Low	55.6	Low	123 Å²	123	111.3 Å²	111.3	64%	0.644	55%	0.553	S	S	*	*	H	α-helix	trans	-63.8	-38.2	175.7	-148.9	77.9	0	0	0	111.4	K550 V551 T558	K550-L554 VanDerWaalsContact O-CB 3.25Å; K550-L554 WeakPolarHBondContact O-CB 3.3Å; K550-L554 PolarHBondContact O-N 3.11Å; V551-L554 PolarHBondContact O-N 3.11Å; L554-T558 VanDerWaalsContact O-CB 3.3Å; L554-T558 WeakPolarHBondContact O-CB 3.39Å; L554-T558 PolarHBondContact O-N 3.35Å; L554-T558 PolarHBondContact O-OG1 2.86Å
555	Q	58.9	Low	56.8	Low	120 Å²	120	110.4 Å²	110.4	56%	0.561	55%	0.553	S	S	*	*	H	α-helix	trans	-67.8	-40.7	174.3	-76.9	173.4	-20.3	0	0	112.2	V551 Q552 E553 T558 A559	V551-Q555 HydrophobicContact CG1-CG 4.47Å; V551-Q555 WeakPolarHBondContact O-CB 3.34Å; V551-Q555 VanDerWaalsContact O-CG 3.22Å; V551-Q555 WeakPolarHBondContact O-CG 3.29Å; V551-Q555 PolarHBondContact O-N 3.12Å; Q552-Q555 PolarHBondContact O-N 3.43Å; E553-Q555 VanDerWaalsContact C-N 3.31Å; E553-Q555 PolarHBondContact O-N 3.33Å; Q555-T558 PolarHBondContact O-N 2.99Å; Q555-A559 VanDerWaalsContact O-CB 3.27Å; Q555-A559 WeakPolarHBondContact O-CB 3.32Å; Q555-A559 PolarHBondContact O-N 2.93Å
556	K	60	Low	58.3	Low	147 Å²	147	110 Å²	110	64%	0.639	55%	0.551	S	S	*	*	H	α-helix	trans	-65	-43.2	174.7	-77.7	176.9	-178.4	-175.9	0	111.8	Q552 E553 T558 A559 L560	Q552-K556 WeakPolarHBondContact O-CB 3.5Å; Q552-K556 VanDerWaalsContact O-CG 3.25Å; Q552-K556 WeakPolarHBondContact O-CG 3.49Å; Q552-K556 PolarHBondContact O-N 2.89Å; E553-K556 PolarHBondContact O-N 3.41Å; K556-T558 VanDerWaalsContact C-N 3.34Å; K556-A559 PolarHBondContact O-N 2.79Å; K556-L560 VanDerWaalsContact O-CB 3.25Å; K556-L560 WeakPolarHBondContact O-CB 3.41Å; K556-L560 PolarHBondContact O-N 2.81Å
557	V	66.8	Low	59.4	Low	91 Å²	91	116.1 Å²	116.1	55%	0.552	56%	0.563	S	S	*	*	H	α-helix	trans	-64.8	-40.1	175.7	171.6	0	0	0	0	110.6	E553 R561	E553-V557 WeakPolarHBondContact O-CB 3.45Å; E553-V557 VanDerWaalsContact O-CG2 3.23Å; E553-V557 WeakPolarHBondContact O-CG2 3.22Å; E553-V557 PolarHBondContact O-N 3.46Å; V557-R561 VanDerWaalsContact O-CB 3.28Å; V557-R561 WeakPolarHBondContact O-CB 3.44Å; V557-R561 PolarHBondContact O-N 3.02Å
558	T	66.9	Low	60.7	Low	64 Å²	64	113.8 Å²	113.8	39%	0.393	56%	0.558	S	S	.	*	H	α-helix	trans	-68.9	-39.2	177.1	-52.8	0	0	0	0	111.9	L554 Q555 K556 R561 R562	L554-T558 VanDerWaalsContact O-CB 3.3Å; L554-T558 WeakPolarHBondContact O-CB 3.39Å; L554-T558 PolarHBondContact O-N 3.35Å; L554-T558 PolarHBondContact O-OG1 2.86Å; Q555-T558 PolarHBondContact O-N 2.99Å; K556-T558 VanDerWaalsContact C-N 3.34Å; T558-R561 PolarHBondContact O-N 2.88Å; T558-R562 WeakPolarHBondContact O-CG 3.45Å; T558-R562 PolarHBondContact O-N 2.88Å; T558-R562 VanDerWaalsContact O-N 3.07Å
559	A	67.8	Low	61.9	Low	52 Å²	52	114 Å²	114	43%	0.43	56%	0.555	S	S	.	*	H	α-helix	trans	-66.7	-45.1	175.2	0	0	0	0	0	111.5	Q555 K556 R561 R562 T563	Q555-A559 VanDerWaalsContact O-CB 3.27Å; Q555-A559 WeakPolarHBondContact O-CB 3.32Å; Q555-A559 PolarHBondContact O-N 2.93Å; K556-A559 PolarHBondContact O-N 2.79Å; A559-R561 VanDerWaalsContact C-N 3.3Å; A559-R561 PolarHBondContact O-N 2.88Å; A559-R562 PolarHBondContact O-N 3.38Å; A559-T563 PolarHBondContact O-N 3.49Å; A559-T563 PolarHBondContact O-OG1 2.85Å; A559-T563 VanDerWaalsContact O-OG1 3.06Å
560	L	67.9	Low	63.2	Low	117 Å²	117	110.9 Å²	110.9	61%	0.613	55%	0.546	S	S	*	.	H	α-helix	trans	-62	-39.1	176	-167.7	71.2	0	0	0	111.2	K556 R562 T563 V564	K556-L560 VanDerWaalsContact O-CB 3.25Å; K556-L560 WeakPolarHBondContact O-CB 3.41Å; K556-L560 PolarHBondContact O-N 2.81Å; L560-R562 PolarHBondContact O-N 3.01Å; L560-T563 PolarHBondContact O-N 2.84Å; L560-V564 WeakPolarHBondContact O-CB 3.39Å; L560-V564 VanDerWaalsContact O-CG2 3.25Å; L560-V564 WeakPolarHBondContact O-CG2 3.27Å; L560-V564 PolarHBondContact O-N 3Å
561	R	68.8	Low	64.3	Low	204 Å²	204	108.7 Å²	108.7	77%	0.77	54%	0.538	S	S	*	.	H	α-helix	trans	-65.1	-36.9	175.9	-163.2	177	-166.2	175.2	4.1	112.5	V557 T558 A559 S565	V557-R561 VanDerWaalsContact O-CB 3.28Å; V557-R561 WeakPolarHBondContact O-CB 3.44Å; V557-R561 PolarHBondContact O-N 3.02Å; T558-R561 PolarHBondContact O-N 2.88Å; A559-R561 VanDerWaalsContact C-N 3.3Å; A559-R561 PolarHBondContact O-N 2.88Å; R561-S565 WeakPolarHBondContact O-CB 3.29Å; R561-S565 PolarHBondContact O-N 2.67Å
562	R	68.6	Low	65.1	Low	172 Å²	172	110.3 Å²	110.3	65%	0.649	54%	0.544	S	S	*	.	H	α-helix	trans	-67	-48.1	172.7	-75.9	179.3	-179.4	161.4	0.1	111.4	T558 A559 L560 V564 S565 D566	T558-R562 WeakPolarHBondContact O-CG 3.45Å; T558-R562 PolarHBondContact O-N 2.88Å; T558-R562 VanDerWaalsContact O-N 3.07Å; A559-R562 PolarHBondContact O-N 3.38Å; L560-R562 PolarHBondContact O-N 3.01Å; R562-V564 VanDerWaalsContact C-N 3.34Å; R562-V564 PolarHBondContact O-N 2.82Å; R562-S565 CarbonylContact O-C 3.55Å; R562-S565 WeakPolarHBondContact O-CA 3.41Å; R562-S565 WeakPolarHBondContact O-CB 3.37Å; R562-S565 PolarHBondContact O-N 2.81Å; R562-S565 VanDerWaalsContact O-N 3.08Å; R562-D566 VanDerWaalsContact O-CG 3.25Å; R562-D566 PolarHBondContact O-N 2.99Å
563	T	72.8	Confident	66.3	Low	65 Å²	65	111.8 Å²	111.8	40%	0.399	55%	0.545	S	S	.	.	H	α-helix	trans	-59.3	-45	177.5	-55.7	0	0	0	0	111.6	A559 L560 S565 D566 Y567	A559-T563 PolarHBondContact O-N 3.49Å; A559-T563 PolarHBondContact O-OG1 2.85Å; A559-T563 VanDerWaalsContact O-OG1 3.06Å; L560-T563 PolarHBondContact O-N 2.84Å; T563-S565 VanDerWaalsContact C-N 3.32Å; T563-S565 PolarHBondContact O-N 3.03Å; T563-D566 PolarHBondContact O-N 2.8Å; T563-Y567 HydrophobicContact CG2-CD2 3.66Å; T563-Y567 HydrophobicContact CG2-CE2 3.52Å; T563-Y567 WeakPolarHBondContact O-CD2 3.42Å; T563-Y567 PolarHBondContact O-N 3.38Å
564	V	71.8	Confident	67	Low	75 Å²	75	109.8 Å²	109.8	46%	0.455	54%	0.538	S	S	.	.	H	α-helix	trans	-63.6	-37.8	175.6	172.1	0	0	0	0	111.6	L560 R562 Y567 L568	L560-V564 WeakPolarHBondContact O-CB 3.39Å; L560-V564 VanDerWaalsContact O-CG2 3.25Å; L560-V564 WeakPolarHBondContact O-CG2 3.27Å; L560-V564 PolarHBondContact O-N 3Å; R562-V564 VanDerWaalsContact C-N 3.34Å; R562-V564 PolarHBondContact O-N 2.82Å; V564-Y567 PolarHBondContact O-N 3.44Å; V564-L568 HydrophobicContact CG1-CD1 3.95Å; V564-L568 HydrophobicContact CG1-CG 4.43Å; V564-L568 WeakPolarHBondContact O-CB 3.42Å; V564-L568 VanDerWaalsContact O-CG 3.23Å; V564-L568 WeakPolarHBondContact O-CG 3.37Å; V564-L568 PolarHBondContact O-N 3.33Å
565	S	71.3	Confident	67.6	Low	55 Å²	55	107.8 Å²	107.8	39%	0.385	53%	0.528	S	S	.	.	H	α-helix	trans	-63	-44.5	173.6	-159.2	0	0	0	0	111.7	R561 R562 T563 L568 E569	R561-S565 WeakPolarHBondContact O-CB 3.29Å; R561-S565 PolarHBondContact O-N 2.67Å; R562-S565 CarbonylContact O-C 3.55Å; R562-S565 WeakPolarHBondContact O-CA 3.41Å; R562-S565 WeakPolarHBondContact O-CB 3.37Å; R562-S565 PolarHBondContact O-N 2.81Å; R562-S565 VanDerWaalsContact O-N 3.08Å; T563-S565 VanDerWaalsContact C-N 3.32Å; T563-S565 PolarHBondContact O-N 3.03Å; S565-L568 PolarHBondContact O-N 3.04Å; S565-E569 WeakPolarHBondContact O-CG 3.37Å; S565-E569 PolarHBondContact O-N 3.17Å
566	D	72.4	Confident	68.2	Low	93 Å²	93	108.5 Å²	108.5	50%	0.497	53%	0.531	S	S	.	.	H	α-helix	trans	-65.1	-39.6	178.9	-63.2	-19.5	0	0	0	111.2	R562 T563 E569 D570	R562-D566 VanDerWaalsContact O-CG 3.25Å; R562-D566 PolarHBondContact O-N 2.99Å; T563-D566 PolarHBondContact O-N 2.8Å; D566-E569 PolarHBondContact O-N 3.04Å; D566-D570 WeakPolarHBondContact O-CB 3.28Å; D566-D570 PolarHBondContact O-N 3.41Å
567	Y	61.2	Low	68.7	Low	166 Å²	166	105.9 Å²	105.9	65%	0.651	53%	0.527	S	S	*	.	H	α-helix	trans	-65.4	-39.6	174.5	-89	-75.3	0	0	0	112.6	T563 V564 D570 E571	T563-Y567 HydrophobicContact CG2-CD2 3.66Å; T563-Y567 HydrophobicContact CG2-CE2 3.52Å; T563-Y567 WeakPolarHBondContact O-CD2 3.42Å; T563-Y567 PolarHBondContact O-N 3.38Å; V564-Y567 PolarHBondContact O-N 3.44Å; Y567-D570 PolarHBondContact O-N 2.97Å; Y567-E571 PolarHBondContact O-N 3.04Å
568	L	67.3	Low	68.7	Low	101 Å²	101	107.6 Å²	107.6	53%	0.529	53%	0.529	S	S	.	.	H	α-helix	trans	-69.2	-38.7	176.6	-71.3	169.7	0	0	0	111.3	V564 S565 E571 D572	V564-L568 HydrophobicContact CG1-CD1 3.95Å; V564-L568 HydrophobicContact CG1-CG 4.43Å; V564-L568 WeakPolarHBondContact O-CB 3.42Å; V564-L568 VanDerWaalsContact O-CG 3.23Å; V564-L568 WeakPolarHBondContact O-CG 3.37Å; V564-L568 PolarHBondContact O-N 3.33Å; S565-L568 PolarHBondContact O-N 3.04Å; L568-E571 PolarHBondContact O-N 2.97Å; L568-D572 PolarHBondContact O-N 3.16Å
569	E	69.1	Low	68.9	Low	103 Å²	103	113.2 Å²	113.2	48%	0.481	54%	0.543	S	S	.	.	H	α-helix	trans	-65.5	-37	173.4	-76.5	-175	-167	0	0	112.4	S565 D566 R573	S565-E569 WeakPolarHBondContact O-CG 3.37Å; S565-E569 PolarHBondContact O-N 3.17Å; D566-E569 PolarHBondContact O-N 3.04Å; E569-R573 VanDerWaalsContact O-CB 3.31Å; E569-R573 WeakPolarHBondContact O-CB 3.45Å; E569-R573 PolarHBondContact O-N 3.37Å
570	D	69.1	Low	68.9	Low	87 Å²	87	112.9 Å²	112.9	47%	0.465	54%	0.54	S	S	.	.	H	α-helix	trans	-71.6	-38.1	175.1	-91.8	-9.9	0	0	0	112.4	D566 Y567 R573 I574	D566-D570 WeakPolarHBondContact O-CB 3.28Å; D566-D570 PolarHBondContact O-N 3.41Å; Y567-D570 PolarHBondContact O-N 2.97Å; D570-R573 PolarHBondContact O-N 3.07Å; D570-R573 IonicContact OD1-NE 2.7Å; D570-I574 WeakPolarHBondContact O-CB 3.15Å; D570-I574 WeakPolarHBondContact O-CD1 3.49Å; D570-I574 WeakPolarHBondContact O-CG1 3.36Å; D570-I574 PolarHBondContact O-N 2.93Å
571	E	66.6	Low	69.1	Low	125 Å²	125	114.2 Å²	114.2	58%	0.584	54%	0.541	S	S	*	.	H	α-helix	trans	-62.3	-44.2	172	-85.6	-151.2	148.5	0	0	111.9	Y567 L568 R573 I574 L575	Y567-E571 PolarHBondContact O-N 3.04Å; L568-E571 PolarHBondContact O-N 2.97Å; E571-R573 VanDerWaalsContact C-N 3.32Å; E571-R573 PolarHBondContact O-N 2.71Å; E571-I574 PolarHBondContact O-N 3.08Å; E571-L575 WeakPolarHBondContact O-CB 3.33Å; E571-L575 PolarHBondContact O-N 2.93Å
572	D	69.4	Low	69	Low	106 Å²	106	110.2 Å²	110.2	57%	0.567	53%	0.531	S	S	*	.	H	α-helix	trans	-61.5	-41.7	175.6	-85.9	-20	0	0	0	111.2	L568 I574 L575 E576	L568-D572 PolarHBondContact O-N 3.16Å; D572-I574 PolarHBondContact O-N 2.99Å; D572-L575 PolarHBondContact O-N 3.03Å; D572-E576 WeakPolarHBondContact O-CB 3.4Å; D572-E576 WeakPolarHBondContact O-CG 3.36Å; D572-E576 PolarHBondContact O-N 3.37Å
573	R	68.8	Low	68.7	Low	144 Å²	144	105.2 Å²	105.2	54%	0.543	52%	0.522	S	S	.	.	H	α-helix	trans	-66	-37.2	177	-151.4	-175.5	-57	-98.8	-0.4	112	E569 D570 E571 T577	E569-R573 VanDerWaalsContact O-CB 3.31Å; E569-R573 WeakPolarHBondContact O-CB 3.45Å; E569-R573 PolarHBondContact O-N 3.37Å; D570-R573 PolarHBondContact O-N 3.07Å; D570-R573 IonicContact OD1-NE 2.7Å; E571-R573 VanDerWaalsContact C-N 3.32Å; E571-R573 PolarHBondContact O-N 2.71Å; R573-T577 WeakPolarHBondContact O-CB 3.36Å; R573-T577 PolarHBondContact O-N 3.28Å; R573-T577 PolarHBondContact O-OG1 3.36Å
574	I	67.4	Low	68.3	Low	96 Å²	96	110.2 Å²	110.2	49%	0.492	53%	0.534	S	S	.	.	H	α-helix	trans	-68.6	-44	174.9	-70.5	164.4	0	0	0	110.3	D570 E571 D572 T577 Q578	D570-I574 WeakPolarHBondContact O-CB 3.15Å; D570-I574 WeakPolarHBondContact O-CD1 3.49Å; D570-I574 WeakPolarHBondContact O-CG1 3.36Å; D570-I574 PolarHBondContact O-N 2.93Å; E571-I574 PolarHBondContact O-N 3.08Å; D572-I574 PolarHBondContact O-N 2.99Å; I574-T577 PolarHBondContact O-N 2.82Å; I574-Q578 WeakPolarHBondContact O-CB 3.34Å; I574-Q578 WeakPolarHBondContact O-CG 3.42Å; I574-Q578 PolarHBondContact O-N 2.84Å
575	L	66.4	Low	67.8	Low	81 Å²	81	111.2 Å²	111.2	42%	0.424	54%	0.536	S	S	.	.	H	α-helix	trans	-62.7	-41.3	176	-90.3	154	0	0	0	112	E571 D572 Q578 R579	E571-L575 WeakPolarHBondContact O-CB 3.33Å; E571-L575 PolarHBondContact O-N 2.93Å; D572-L575 PolarHBondContact O-N 3.03Å; L575-Q578 PolarHBondContact O-N 3.06Å; L575-R579 WeakPolarHBondContact O-CB 3.42Å; L575-R579 WeakPolarHBondContact O-CG 3.44Å; L575-R579 PolarHBondContact O-N 2.88Å
576	E	72.1	Confident	67	Low	135 Å²	135	112 Å²	112	63%	0.631	54%	0.535	S	S	*	.	H	α-helix	trans	-64.5	-42.2	173.3	-78.4	-171.5	160.5	0	0	111.8	D572 Q578 R579 A580	D572-E576 WeakPolarHBondContact O-CB 3.4Å; D572-E576 WeakPolarHBondContact O-CG 3.36Å; D572-E576 PolarHBondContact O-N 3.37Å; E576-Q578 VanDerWaalsContact C-N 3.34Å; E576-Q578 PolarHBondContact O-N 3.27Å; E576-R579 PolarHBondContact O-N 2.94Å; E576-A580 WeakPolarHBondContact O-CB 3.24Å; E576-A580 PolarHBondContact O-N 3.38Å
577	T	69.7	Low	66.3	Low	91 Å²	91	114.7 Å²	114.7	56%	0.558	55%	0.545	S	S	*	.	H	α-helix	trans	-65.6	-39.1	177.3	-53.7	0	0	0	0	111.2	R573 I574 A580 K581	R573-T577 WeakPolarHBondContact O-CB 3.36Å; R573-T577 PolarHBondContact O-N 3.28Å; R573-T577 PolarHBondContact O-OG1 3.36Å; I574-T577 PolarHBondContact O-N 2.82Å; T577-A580 PolarHBondContact O-N 3.12Å; T577-K581 VanDerWaalsContact O-CB 3.31Å; T577-K581 WeakPolarHBondContact O-CB 3.28Å; T577-K581 PolarHBondContact O-N 3.01Å
578	Q	68.1	Low	66	Low	127 Å²	127	114.2 Å²	114.2	59%	0.593	55%	0.549	S	S	*	.	H	α-helix	trans	-68	-41.1	173.8	-74.5	-162.6	-2.1	0	0	112.2	I574 L575 E576 K581 H582	I574-Q578 WeakPolarHBondContact O-CB 3.34Å; I574-Q578 WeakPolarHBondContact O-CG 3.42Å; I574-Q578 PolarHBondContact O-N 2.84Å; L575-Q578 PolarHBondContact O-N 3.06Å; E576-Q578 VanDerWaalsContact C-N 3.34Å; E576-Q578 PolarHBondContact O-N 3.27Å; Q578-K581 PolarHBondContact O-N 3.45Å; Q578-H582 VanDerWaalsContact O-CB 3.23Å; Q578-H582 WeakPolarHBondContact O-CB 3.07Å; Q578-H582 PolarHBondContact O-N 3.19Å
579	R	71.3	Confident	65.2	Low	183 Å²	183	113.1 Å²	113.1	69%	0.691	55%	0.55	S	S	*	.	H	α-helix	trans	-62.4	-42.3	172.9	-80.1	-178.6	-174.9	174.7	4.9	111.8	L575 E576 K581 H582 S583	L575-R579 WeakPolarHBondContact O-CB 3.42Å; L575-R579 WeakPolarHBondContact O-CG 3.44Å; L575-R579 PolarHBondContact O-N 2.88Å; E576-R579 PolarHBondContact O-N 2.94Å; R579-K581 VanDerWaalsContact C-N 3.34Å; R579-H582 PolarHBondContact O-N 2.82Å; R579-S583 WeakPolarHBondContact O-CB 3.22Å; R579-S583 PolarHBondContact O-N 2.99Å
580	A	67.8	Low	64.1	Low	44 Å²	44	114.6 Å²	114.6	36%	0.364	56%	0.56	S	S	.	*	H	α-helix	trans	-65.2	-38.7	176.7	0	0	0	0	0	111.7	E576 T577 R584	E576-A580 WeakPolarHBondContact O-CB 3.24Å; E576-A580 PolarHBondContact O-N 3.38Å; T577-A580 PolarHBondContact O-N 3.12Å; A580-R584 WeakPolarHBondContact O-CG 3.43Å; A580-R584 PolarHBondContact O-N 2.91Å
581	K	71.3	Confident	62.9	Low	146 Å²	146	113.4 Å²	113.4	64%	0.635	57%	0.568	S	S	*	*	H	α-helix	trans	-69.6	-42.4	175.7	-163.1	175.2	-175.6	-179.2	0	111.8	T577 Q578 R579 R584 L585	T577-K581 VanDerWaalsContact O-CB 3.31Å; T577-K581 WeakPolarHBondContact O-CB 3.28Å; T577-K581 PolarHBondContact O-N 3.01Å; Q578-K581 PolarHBondContact O-N 3.45Å; R579-K581 VanDerWaalsContact C-N 3.34Å; K581-R584 PolarHBondContact O-N 3.37Å; K581-L585 HydrophobicContact CG-CD1 4.48Å; K581-L585 WeakPolarHBondContact O-CB 3.48Å; K581-L585 VanDerWaalsContact O-CG 3.3Å; K581-L585 WeakPolarHBondContact O-CG 3.45Å; K581-L585 PolarHBondContact O-N 2.88Å
582	H	65.9	Low	61.5	Low	120 Å²	120	115.3 Å²	115.3	56%	0.556	58%	0.577	S	S	*	*	H	α-helix	trans	-67	-36.6	175.5	-167.3	-98.7	0	0	0	111.7	Q578 R579 L585 L586	Q578-H582 VanDerWaalsContact O-CB 3.23Å; Q578-H582 WeakPolarHBondContact O-CB 3.07Å; Q578-H582 PolarHBondContact O-N 3.19Å; R579-H582 PolarHBondContact O-N 2.82Å; H582-L585 PolarHBondContact O-N 3.05Å; H582-L586 VanDerWaalsContact CE1-CD1 3.44Å; H582-L586 WeakPolarHBondContact CE1-CD1 3.33Å; H582-L586 VanDerWaalsContact ND1-CD1 3.3Å; H582-L586 WeakPolarHBondContact ND1-CD1 3.05Å; H582-L586 VanDerWaalsContact O-CB 3.31Å; H582-L586 WeakPolarHBondContact O-CB 3.48Å; H582-L586 WeakPolarHBondContact O-CG 3.47Å; H582-L586 PolarHBondContact O-N 3.48Å
583	S	62.4	Low	59.9	Low	66 Å²	66	119.4 Å²	119.4	46%	0.462	59%	0.59	S	S	.	*	H	α-helix	trans	-68	-37.3	174.8	-172.5	0	0	0	0	112.1	R579 L586 Q587	R579-S583 WeakPolarHBondContact O-CB 3.22Å; R579-S583 PolarHBondContact O-N 2.99Å; S583-L586 PolarHBondContact O-N 2.78Å; S583-Q587 WeakPolarHBondContact O-CB 3.36Å; S583-Q587 PolarHBondContact O-N 3.36Å
584	R	64.1	Low	58.2	Low	170 Å²	170	120.8 Å²	120.8	64%	0.642	60%	0.602	S	S	*	*	H	α-helix	trans	-66.3	-44	170.5	-74.5	-177.7	-146.8	-174.7	5.3	112.2	A580 K581 L586 Q587 E588	A580-R584 WeakPolarHBondContact O-CG 3.43Å; A580-R584 PolarHBondContact O-N 2.91Å; K581-R584 PolarHBondContact O-N 3.37Å; R584-L586 VanDerWaalsContact C-N 3.31Å; R584-L586 PolarHBondContact O-N 3.1Å; R584-Q587 PolarHBondContact O-N 3.04Å; R584-Q587 VanDerWaalsContact O-N 3.17Å; R584-E588 WeakPolarHBondContact O-CG 3.01Å; R584-E588 PolarHBondContact O-N 3.2Å
585	L	61.1	Low	56.5	Low	97 Å²	97	122 Å²	122	51%	0.508	61%	0.613	S	S	.	*	H	α-helix	trans	-63.4	-36.7	175.8	-73.2	167.4	0	0	0	112	K581 H582 E588 S589	K581-L585 HydrophobicContact CG-CD1 4.48Å; K581-L585 WeakPolarHBondContact O-CB 3.48Å; K581-L585 VanDerWaalsContact O-CG 3.3Å; K581-L585 WeakPolarHBondContact O-CG 3.45Å; K581-L585 PolarHBondContact O-N 2.88Å; H582-L585 PolarHBondContact O-N 3.05Å; L585-E588 PolarHBondContact O-N 3.47Å; L585-S589 VanDerWaalsContact O-CB 3.28Å; L585-S589 WeakPolarHBondContact O-CB 3.4Å; L585-S589 PolarHBondContact O-N 2.96Å; L585-S589 PolarHBondContact O-OG 2.81Å
586	L	55.3	Low	54.9	Low	70 Å²	70	125.4 Å²	125.4	37%	0.366	63%	0.627	S	S	.	*	H	α-helix	trans	-67.9	-38.6	171.8	-88.3	159.2	0	0	0	112.2	H582 S583 R584 E588 S589 L590	H582-L586 VanDerWaalsContact CE1-CD1 3.44Å; H582-L586 WeakPolarHBondContact CE1-CD1 3.33Å; H582-L586 VanDerWaalsContact ND1-CD1 3.3Å; H582-L586 WeakPolarHBondContact ND1-CD1 3.05Å; H582-L586 VanDerWaalsContact O-CB 3.31Å; H582-L586 WeakPolarHBondContact O-CB 3.48Å; H582-L586 WeakPolarHBondContact O-CG 3.47Å; H582-L586 PolarHBondContact O-N 3.48Å; S583-L586 PolarHBondContact O-N 2.78Å; R584-L586 VanDerWaalsContact C-N 3.31Å; R584-L586 PolarHBondContact O-N 3.1Å; L586-E588 VanDerWaalsContact C-N 3.33Å; L586-S589 PolarHBondContact O-N 2.98Å; L586-L590 HydrophobicContact CB-CD1 4.32Å; L586-L590 HydrophobicContact CD2-CD1 3.91Å; L586-L590 HydrophobicContact CD2-CG 4.43Å; L586-L590 WeakPolarHBondContact O-CB 3.41Å; L586-L590 WeakPolarHBondContact O-CD1 3.4Å; L586-L590 WeakPolarHBondContact O-CG 3.39Å; L586-L590 PolarHBondContact O-N 3.18Å
587	Q	58.1	Low	52.9	Low	151 Å²	151	129.2 Å²	129.2	71%	0.706	64%	0.636	S	S	*	*	H	α-helix	trans	-66	-36	173.9	-100	174.9	-33.3	0	0	112.2	S583 R584	S583-Q587 WeakPolarHBondContact O-CB 3.36Å; S583-Q587 PolarHBondContact O-N 3.36Å; R584-Q587 PolarHBondContact O-N 3.04Å; R584-Q587 VanDerWaalsContact O-N 3.17Å
588	E	55	Low	51.1	Low	155 Å²	155	131.8 Å²	131.8	72%	0.724	65%	0.645	S	S	*	*	H	α-helix	trans	-74.6	-31.7	174.7	-73.2	174.7	172.8	0	0	112.2	R584 L585 L586	R584-E588 WeakPolarHBondContact O-CG 3.01Å; R584-E588 PolarHBondContact O-N 3.2Å; L585-E588 PolarHBondContact O-N 3.47Å; L586-E588 VanDerWaalsContact C-N 3.33Å
589	S	49.3	Very low	49.4	Very low	79 Å²	79	132.5 Å²	132.5	55%	0.552	66%	0.657	S	S	*	*	H	α-helix	trans	-88	-19.9	178.7	88	0	0	0	0	114.5	L585 L586 G591	L585-S589 VanDerWaalsContact O-CB 3.28Å; L585-S589 WeakPolarHBondContact O-CB 3.4Å; L585-S589 PolarHBondContact O-N 2.96Å; L585-S589 PolarHBondContact O-OG 2.81Å; L586-S589 PolarHBondContact O-N 2.98Å; S589-G591 VanDerWaalsContact C-N 3.31Å
590	L	46.2	Very low	47.4	Very low	134 Å²	134	133.3 Å²	133.3	70%	0.702	66%	0.66	S	S	*	*	S	Bend	trans	-90.9	6.5	177.2	-69.8	165.7	0	0	0	113.2	L586 Q592	L586-L590 HydrophobicContact CB-CD1 4.32Å; L586-L590 HydrophobicContact CD2-CD1 3.91Å; L586-L590 HydrophobicContact CD2-CG 4.43Å; L586-L590 WeakPolarHBondContact O-CB 3.41Å; L586-L590 WeakPolarHBondContact O-CD1 3.4Å; L586-L590 WeakPolarHBondContact O-CG 3.39Å; L586-L590 PolarHBondContact O-N 3.18Å; L590-Q592 PolarHBondContact O-N 2.85Å
591	G	44.1	Very low	45.5	Very low	61 Å²	61	139 Å²	139	63%	0.629	68%	0.68	S	S	*	*	S	Bend	trans	-73.7	25.7	159.3	0	0	0	0	0	114.3	S589	S589-G591 VanDerWaalsContact C-N 3.31Å
592	Q	38.5	Very low	43.5	Very low	165 Å²	165	136.3 Å²	136.3	77%	0.771	69%	0.685	S	S	*	*	S	Bend	trans	-162.5	100.5	164.8	-120	159.7	-9.8	0	0	112.9	L590	L590-Q592 PolarHBondContact O-N 2.85Å
593	K	35.3	Very low	41.8	Very low	192 Å²	192	135.9 Å²	135.9	84%	0.835	70%	0.695	S	S	*	*			trans	62.1	105.8	151.4	-63.8	-176.2	177.2	-179.1	0	120.1
594	H	32.7	Very low	40.2	Very low	174 Å²	174	140.4 Å²	140.4	81%	0.806	71%	0.714	S	S	*	*				58.8	115.7	122.6	-143.1	64.8	0	0	0	119.4
595	V	32.4	Very low	39.4	Very low	120 Å²	120	137.3 Å²	137.3	73%	0.727	72%	0.716	S	S	*	*				168.9	142.5	106.3	163.5	0	0	0	0	110.1
596	E	32.1	Very low	38	Very low	153 Å²	153	140.2 Å²	140.2	72%	0.715	73%	0.73	S	S	*	*			trans	-61.4	161	-177.2	-59	168.4	147.7	0	0	116.5
597	R	29.7	Very low	36.7	Very low	215 Å²	215	142.9 Å²	142.9	81%	0.811	75%	0.749	S	S	*	*				125.2	130.9	125.7	-149	-176.9	-86.9	177.2	-6.3	114.9
598	I	32.9	Very low	35.6	Very low	146 Å²	146	140.6 Å²	140.6	75%	0.749	75%	0.75	S	S	*	*			trans	92.4	72.8	162.8	-39.3	-178.2	0	0	0	116.6
599	V	31.9	Very low	34.8	Very low	141 Å²	141	138.9 Å²	138.9	86%	0.855	75%	0.753	S	S	*	*				-96.6	124.6	128.5	172.3	0	0	0	0	105.8
600	R	29.1	Very low	34.4	Very low	200 Å²	200	140.6 Å²	140.6	76%	0.755	76%	0.762	S	S	*	*			trans	-174.5	106.8	147.2	-99.8	173.6	-156.4	-152.1	3.9	108.3
601	E	28.6	Very low	34.5	Very low	165 Å²	165	139.4 Å²	139.4	77%	0.771	76%	0.762	S	S	*	*				86	125.6	120.5	-68.4	165	-179	0	0	110.9
602	A	29.6	Very low	33.7	Very low	89 Å²	89	141.8 Å²	141.8	74%	0.736	77%	0.769	S	S	*	*			cis	-159.5	133	42.4	0	0	0	0	0	108
603	S	29.7	Very low	33.3	Very low	111 Å²	111	139.1 Å²	139.1	78%	0.776	77%	0.769	S	S	*	*				66.8	91.4	90.6	-49.4	0	0	0	0	115
604	N	29.1	Very low	33.2	Very low	160 Å²	160	136.6 Å²	136.6	86%	0.856	77%	0.769	S	S	*	*				69.2	165.8	125.4	-103.7	15.2	0	0	0	120.4
605	P	46.8	Very low	33	Very low	105 Å²	105	136 Å²	136	68%	0.682	77%	0.767	S	S	*	*				-121	161.8	-115.9	40.7	-26.9	0	0	0	114.2
606	I	30.8	Very low	32.8	Very low	158 Å²	158	139.1 Å²	139.1	81%	0.81	77%	0.773	S	S	*	*			trans	-144	111.7	176.1	-63.8	-173.3	0	0	0	112.8
607	T	28.6	Very low	32.7	Very low	126 Å²	126	135.7 Å²	135.7	77%	0.773	78%	0.779	S	S	*	*			trans	24.3	137.8	139.1	57.1	0	0	0	0	123.6
608	S	35	Very low	32.6	Very low	103 Å²	103	131.4 Å²	131.4	72%	0.72	78%	0.776	S	S	*	*			trans	-57.4	158.8	153.1	57.4	0	0	0	0	112.9
609	P	38.7	Very low	32.5	Very low	120 Å²	120	132.9 Å²	132.9	78%	0.779	78%	0.78	S	S	*	*				-157.1	-148.6	75.3	46.8	-22.8	0	0	0	114.1
610	P	40.9	Very low	32.2	Very low	115 Å²	115	132.5 Å²	132.5	75%	0.747	77%	0.773	S	S	*	*				-122.8	-133.7	-126	34.2	-6.9	0	0	0	112.6
611	P	48	Very low	32.2	Very low	109 Å²	109	131.4 Å²	131.4	71%	0.708	78%	0.777	S	S	*	*				-118.1	177.5	-74.6	32.2	-13.6	0	0	0	113.7
612	S	28.3	Very low	32.2	Very low	110 Å²	110	126.8 Å²	126.8	77%	0.769	77%	0.774	S	S	*	*			trans	161.3	124.8	149.9	35.5	0	0	0	0	109.7
613	S	29.7	Very low	32.8	Very low	109 Å²	109	128.7 Å²	128.7	76%	0.762	78%	0.778	S	S	*	*				76.5	102.3	60	73.4	0	0	0	0	115.7
614	V	32.3	Very low	32.7	Very low	139 Å²	139	131.4 Å²	131.4	84%	0.842	78%	0.779	S	S	*	*			trans	-164.4	112	152.6	-174.4	0	0	0	0	107
615	Q	28.6	Very low	32.8	Very low	163 Å²	163	129.8 Å²	129.8	76%	0.762	77%	0.77	S	S	*	*				57	109.8	86.4	-89.2	-177.3	-30.2	0	0	116.6
616	E	29.4	Very low	31.9	Very low	184 Å²	184	131.6 Å²	131.6	86%	0.86	77%	0.774	S	S	*	*				78.6	130.4	102.9	-92.1	-175.8	166.9	0	0	116.6
617	G	28	Very low	31.8	Very low	81 Å²	81	129.3 Å²	129.3	84%	0.835	77%	0.766	S	S	*	*			trans	165.2	131.8	169	0	0	0	0	0	114.3
618	V	29	Very low	31.8	Very low	125 Å²	125	131.7 Å²	131.7	76%	0.758	77%	0.766	S	S	*	*			trans	-115.8	162.8	-163.1	161.2	0	0	0	0	111.8
619	E	29.5	Very low	31.4	Very low	178 Å²	178	135.3 Å²	135.3	83%	0.832	77%	0.772	S	S	*	*			trans	72.3	147.8	158.8	-88.7	158.7	-147	0	0	118.4
620	D	27	Very low	30.8	Very low	133 Å²	133	141.2 Å²	141.2	71%	0.711	78%	0.779	S	S	*	*			cis	-169.7	169.9	4	-162.4	5.9	0	0	0	110.1
621	E	29.4	Very low	30.3	Very low	176 Å²	176	141.6 Å²	141.6	82%	0.822	78%	0.779	S	S	*	*			trans	65.4	142.7	157.2	-59.3	-137.5	141	0	0	125.1
622	G	27.2	Very low	29.2	Very low	69 Å²	69	143.9 Å²	143.9	71%	0.711	78%	0.784	S	S	*	*			trans	-80.7	-170.5	-179.7	0	0	0	0	0	116.1
623	P	42.8	Very low	29.2	Very low	128 Å²	128	147.2 Å²	147.2	83%	0.831	79%	0.788	S	S	*	*				-153.6	174.3	74.4	37.9	-15.6	0	0	0	118.6
624	Q	27.9	Very low	28.9	Very low	169 Å²	169	149 Å²	149	79%	0.79	79%	0.794	S	S	*	*			trans	-7.4	143.8	158	-59.8	173.7	-20.5	0	0	121.3
625	D	30.6	Very low	28.5	Very low	125 Å²	125	151.3 Å²	151.3	67%	0.668	79%	0.793	S	S	*	*				169.5	145.7	86.7	-114.5	-18.8	0	0	0	116.6
626	L	28.8	Very low	28.3	Very low	144 Å²	144	149 Å²	149	75%	0.754	79%	0.79	S	S	*	*			trans	55.3	140.4	142.8	-64.8	155	0	0	0	120.7
627	V	28.8	Very low	28	Very low	109 Å²	109	149.3 Å²	149.3	66%	0.661	79%	0.791	S	S	*	*			cis	-177.3	145	28	121.2	0	0	0	0	114.3
628	K	27.6	Very low	27.7	Very low	176 Å²	176	153.6 Å²	153.6	77%	0.765	79%	0.789	S	S	*	*			trans	60.2	113.5	145.8	-64.8	173	-174.2	174.4	0	126.1
629	Q	27.9	Very low	27.4	Very low	180 Å²	180	154.9 Å²	154.9	84%	0.841	79%	0.787	S	S	*	*				29	131.9	112.8	-79.6	179.4	-30.3	0	0	122.4
630	R	26.2	Very low	27.4	Very low	244 Å²	244	151.8 Å²	151.8	92%	0.921	78%	0.782	S	S	*	*				-169	137.2	111.4	-109.4	177.1	-172.8	178.9	2.2	114.3
631	T	28.9	Very low	27.2	Very low	123 Å²	123	156.1 Å²	156.1	76%	0.755	79%	0.789	S	S	*	*			trans	-95.1	149.2	168.5	-30.4	0	0	0	0	109.5
632	L	25.3	Very low	27.1	Very low	157 Å²	157	153.3 Å²	153.3	82%	0.822	79%	0.786	S	S	*	*			trans	-163.9	128.1	147.8	-123.3	119.8	0	0	0	112.4
633	Q	27.7	Very low	26.8	Very low	179 Å²	179	154.5 Å²	154.5	84%	0.836	79%	0.789	S	S	*	*			trans	-85.6	153.6	163.2	-74.8	175.6	-29.2	0	0	110.3
634	T	24.7	Very low	26	Very low	146 Å²	146	158.1 Å²	158.1	90%	0.896	79%	0.792	S	S	*	*			trans	-162.5	162	137.7	-3	0	0	0	0	113
635	K	23.6	Very low	25.7	Very low	189 Å²	189	154.6 Å²	154.6	82%	0.822	79%	0.786	S	S	*	*			trans	-114.2	146.3	-157.9	-167.5	-162.8	-178	-179.9	0	109.6
636	V	24.4	Very low	25.3	Very low	114 Å²	114	157 Å²	157	69%	0.691	80%	0.798	S	S	*	*				138.9	134.3	115.5	-179.8	0	0	0	0	105.6
637	E	22.2	Very low	25.1	Very low	190 Å²	190	153.9 Å²	153.9	89%	0.888	80%	0.8	S	S	*	*				172.5	168.5	89.8	-153.5	157.4	-152.3	0	0	112.5
638	Q	22.9	Very low	24.9	Very low	172 Å²	172	157 Å²	157	80%	0.804	81%	0.81	S	S	*	*			trans	-103.7	154.6	-160	-113.3	170.9	-44.2	0	0	116.5
639	E	22.6	Very low	24.7	Very low	151 Å²	151	158 Å²	158	71%	0.706	82%	0.817	S	S	*	*			trans	68.3	161.3	151.9	-74.4	-145.2	167.9	0	0	121.7
640	P	28	Very low	24.5	Very low	113 Å²	113	156.4 Å²	156.4	73%	0.734	81%	0.813	S	S	*	*			cis	-134	179.5	9.1	34.5	-12.1	0	0	0	117.5
641	R	24.7	Very low	24.5	Very low	224 Å²	224	152.9 Å²	152.9	85%	0.845	81%	0.813	S	S	*	*			trans	-61.2	165.3	176.7	-53	175.1	-159.5	-165.1	2.1	114.8
642	P	25.4	Very low	24.3	Very low	117 Å²	117	151.5 Å²	151.5	76%	0.76	81%	0.814	S	S	*	*			trans	-120.4	137.2	140.2	31.8	-18.8	0	0	0	112.8
643	A	22.6	Very low	24.2	Very low	94 Å²	94	147.7 Å²	147.7	78%	0.777	81%	0.813	S	S	*	*			trans	-80.2	137.9	162.6	0	0	0	0	0	109.3
644	F	25.6	Very low	24.1	Very low	204 Å²	204	147.2 Å²	147.2	90%	0.895	82%	0.815	S	S	*	*			trans	-141.5	135.6	158.1	-97.9	-80.3	0	0	0	110.5
645	S	21.5	Very low	24.1	Very low	96 Å²	96	143.5 Å²	143.5	67%	0.671	81%	0.805	S	S	*	*			trans	-101.8	167.8	-176.8	46	0	0	0	0	111.3
646	L	22.9	Very low	24.2	Very low	176 Å²	176	143.4 Å²	143.4	92%	0.921	81%	0.81	S	S	*	*			trans	79.9	133.1	165.7	-78.3	121.1	0	0	0	119.3
647	G	23	Very low	24.2	Very low	77 Å²	77	145 Å²	145	79%	0.794	82%	0.82	S	S	*	*			trans	151.9	84	158.7	0	0	0	0	0	113.4
648	M	24.1	Very low	24.3	Very low	174 Å²	174	138.8 Å²	138.8	86%	0.857	81%	0.807	S	S	*	*			trans	-67.4	140.1	166.3	-67.4	162.9	58.4	0	0	110
649	E	25	Very low	24.3	Very low	198 Å²	198	139 Å²	139	93%	0.925	81%	0.813	S	S	*	*			trans	-154.6	125.3	146.2	-119.1	163.4	179.4	0	0	110.3
650	L	23.7	Very low	24.4	Very low	146 Å²	146	140.5 Å²	140.5	76%	0.764	82%	0.82	S	S	*	*			trans	-70.5	147	173.1	-88.5	72.4	0	0	0	108.9
651	D	24.8	Very low	24.4	Very low	171 Å²	171	140.7 Å²	140.7	91%	0.914	82%	0.821	S	S	*	*			trans	-152.5	139.7	136.7	-108.2	-22.9	0	0	0	113.7
652	A	25.2	Very low	24.4	Very low	93 Å²	93	136.5 Å²	136.5	77%	0.769	82%	0.82	S	S	*	*			trans	-83.8	137	-163.1	0	0	0	0	0	112.7
653	G	23.9	Very low	24.3	Very low	77 Å²	77	138.3 Å²	138.3	79%	0.794	82%	0.823	S	S	*	*			trans	-85.1	138.9	164.2	0	0	0	0	0	111.1
654	L	25	Very low	24.4	Very low	170 Å²	170	141 Å²	141	89%	0.89	82%	0.824	S	S	*	*			trans	-123.9	108.1	164.5	-102.8	143.9	0	0	0	107.9
655	G	24.8	Very low	24.3	Very low	67 Å²	67	140.8 Å²	140.8	69%	0.691	82%	0.824	S	S	*	*			trans	-91	150.1	169.4	0	0	0	0	0	110.8
656	M	26	Very low	24.4	Very low	187 Å²	187	143 Å²	143	92%	0.921	83%	0.828	S	S	*	*			trans	-123.3	138.8	167.6	-72	-66.6	-72.6	0	0	109.4
657	V	23.9	Very low	24.6	Very low	147 Å²	147	141.9 Å²	141.9	89%	0.891	82%	0.818	S	S	*	*			trans	-105.8	153.1	-164.2	167.5	0	0	0	0	111
658	G	23.6	Very low	24.7	Very low	61 Å²	61	144.3 Å²	144.3	63%	0.629	81%	0.812	S	S	*	*			trans	118.2	145.1	155	0	0	0	0	0	113.5
659	L	24.5	Very low	24.6	Very low	175 Å²	175	144.3 Å²	144.3	92%	0.916	82%	0.816	S	S	*	*			cis	-163	157.2	11.1	-86.7	156	0	0	0	107.5
660	Q	24	Very low	24.6	Very low	184 Å²	184	139.2 Å²	139.2	86%	0.86	80%	0.802	S	S	*	*			trans	-71.5	162.5	169.4	-78.1	166.4	-64.4	0	0	112.4
661	P	28.2	Very low	24.7	Very low	117 Å²	117	139.7 Å²	139.7	76%	0.76	80%	0.804	S	S	*	*				-137.6	137.2	110.5	21.6	-1	0	0	0	113.1
662	V	24.9	Very low	24.7	Very low	135 Å²	135	140.8 Å²	140.8	82%	0.818	80%	0.803	S	S	*	*				68.2	99.6	95.2	-171.4	0	0	0	0	112.8
663	D	23.6	Very low	24.7	Very low	155 Å²	155	145.5 Å²	145.5	83%	0.829	81%	0.809	S	S	*	*			trans	-83.5	149.9	163.6	-71.3	-52.7	0	0	0	110.3
664	D	23.4	Very low	24.7	Very low	150 Å²	150	145.1 Å²	145.1	80%	0.802	81%	0.805	S	S	*	*			trans	-147.8	149.9	144.8	-129.8	-16.2	0	0	0	110
665	F	24.1	Very low	24.7	Very low	200 Å²	200	147.2 Å²	147.2	88%	0.877	81%	0.807	S	S	*	*			trans	96.7	75.5	-178.7	-60.5	-77.8	0	0	0	118.5
666	N	23.8	Very low	24.6	Very low	143 Å²	143	147.4 Å²	147.4	77%	0.765	81%	0.808	S	S	*	*			trans	-103.1	150	131.4	-118.1	2.2	0	0	0	105.5
667	E	27	Very low	24.6	Very low	152 Å²	152	146.1 Å²	146.1	71%	0.71	81%	0.805	S	S	*	*			cis	-169.4	160.9	37.3	-127.1	169.8	-164.3	0	0	104.6
668	L	25.6	Very low	24.7	Very low	129 Å²	129	148.6 Å²	148.6	68%	0.675	80%	0.803	S	S	*	*				177.3	137.9	72.7	-158.8	83.1	0	0	0	107.6
669	N	21.2	Very low	24.8	Very low	174 Å²	174	155.1 Å²	155.1	93%	0.93	82%	0.815	S	S	*	*			trans	-160.7	104.3	145.7	-102.6	-23.8	0	0	0	110
670	S	24.9	Very low	24.8	Very low	90 Å²	90	158.5 Å²	158.5	63%	0.629	82%	0.815	S	S	*	*			trans	-123.8	123.1	162	61.5	0	0	0	0	110.1
671	I	26.9	Very low	24.8	Very low	157 Å²	157	158 Å²	158	81%	0.805	81%	0.813	S	S	*	*			trans	70.3	106.2	141.2	-53.8	168.4	0	0	0	118.4
672	H	24.9	Very low	24.7	Very low	193 Å²	193	160.3 Å²	160.3	89%	0.894	82%	0.818	S	S	*	*			trans	-85.5	124.2	155.2	-86	-52.8	0	0	0	111.5
673	Q	24.6	Very low	24.6	Very low	193 Å²	193	158.3 Å²	158.3	90%	0.902	82%	0.816	S	S	*	*			trans	-117.7	133	142.8	-97.5	-175.4	-1.7	0	0	107.9
674	G	23.4	Very low	24.5	Very low	69 Å²	69	154.6 Å²	154.6	71%	0.711	81%	0.813	S	S	*	*			trans	-86.6	169.7	-158.7	0	0	0	0	0	117
675	K	26.1	Very low	24.5	Very low	214 Å²	214	155.3 Å²	155.3	93%	0.93	81%	0.812	S	S	*	*			trans	178.9	123.8	133.5	-98.7	168.9	-174.6	-179.9	0	110.3
676	G	22.9	Very low	24.4	Very low	70 Å²	70	154.1 Å²	154.1	72%	0.722	80%	0.803	S	S	*	*			trans	54.4	122.5	135.6	0	0	0	0	0	122.6
677	L	25.1	Very low	24.4	Very low	161 Å²	161	155.8 Å²	155.8	84%	0.843	80%	0.804	S	S	*	*			trans	70.1	104	131.5	-82.2	146.5	0	0	0	119.5
678	K	25.3	Very low	24.2	Very low	198 Å²	198	154.5 Å²	154.5	86%	0.861	80%	0.796	S	S	*	*				165	143	97.7	-98.8	171.7	178.6	176.3	0	112.3
679	K	25.7	Very low	24	Very low	199 Å²	199	160 Å²	160	87%	0.865	81%	0.808	S	S	*	*			trans	-70.8	134.7	174.5	-156.9	-177.6	-169.2	-174.5	0	110.6
680	R	25	Very low	24.1	Very low	246 Å²	246	158.5 Å²	158.5	93%	0.928	80%	0.795	S	S	*	*			trans	-166	131.1	147.9	-117.5	174	165.9	172.8	-5.5	113
681	E	24.7	Very low	24.1	Very low	174 Å²	174	158.7 Å²	158.7	81%	0.813	80%	0.802	S	S	*	*			trans	-73.1	163.5	171.4	-64.6	158.4	135.8	0	0	112.4
682	L	25.2	Very low	23.9	Very low	164 Å²	164	159.8 Å²	159.8	86%	0.859	80%	0.804	S	S	*	*			trans	143.5	104.3	150.1	-82	147.8	0	0	0	108.3
683	A	22.4	Very low	23.8	Very low	94 Å²	94	159.4 Å²	159.4	78%	0.777	80%	0.8	S	S	*	*				75.6	120.4	66.2	0	0	0	0	0	115.1
684	G	22.7	Very low	23.7	Very low	76 Å²	76	157.4 Å²	157.4	78%	0.784	80%	0.795	S	S	*	*			trans	74.9	149.1	158.3	0	0	0	0	0	116.2
685	Q	23.2	Very low	24	Very low	166 Å²	166	161.8 Å²	161.8	78%	0.776	80%	0.797	S	S	*	*			cis	-177.9	147.8	11.5	-110.1	-170.4	-26.7	0	0	107.9
686	Y	22.9	Very low	24	Very low	175 Å²	175	163.3 Å²	163.3	69%	0.686	80%	0.797	S	S	*	*			trans	64.5	139.2	147.4	-80	-107.1	0	0	0	119
687	F	23.4	Very low	24.3	Very low	178 Å²	178	163.8 Å²	163.8	78%	0.781	80%	0.802	S	S	*	*			cis	-160.4	116.2	42	-143.3	-88.6	0	0	0	107.3
688	K	22.1	Very low	24.5	Very low	124 Å²	124	163.7 Å²	163.7	54%	0.539	80%	0.801	S	S	.	*				57.2	109	85.3	-147.5	178.4	-166.7	-161.8	0	116.6	E690	K688-E690 WeakPolarHBondContact CE-OE1 3.49Å; K688-E690 WeakPolarHBondContact CE-OE2 3.15Å; K688-E690 VanDerWaalsContact NZ-CD 3.33Å; K688-E690 IonicContact NZ-OE1 3.62Å; K688-E690 PolarHBondContact NZ-OE1 2.81Å; K688-E690 VanDerWaalsContact NZ-OE1 3.08Å; K688-E690 IonicContact NZ-OE2 3.36Å; K688-E690 PolarHBondContact NZ-OE2 2.84Å
689	R	22.4	Very low	24.8	Very low	246 Å²	246	165.5 Å²	165.5	93%	0.928	80%	0.803	S	S	*	*			trans	-152.8	121.6	130.6	-155.2	172.8	-73.4	-169.5	-1.3	110.7
690	E	23.1	Very low	25	Very low	141 Å²	141	164.9 Å²	164.9	66%	0.659	81%	0.805	S	S	*	*			trans	-88.4	159.1	179.9	-69.4	155.6	158.4	0	0	111.9	K688	K688-E690 WeakPolarHBondContact CE-OE1 3.49Å; K688-E690 WeakPolarHBondContact CE-OE2 3.15Å; K688-E690 VanDerWaalsContact NZ-CD 3.33Å; K688-E690 IonicContact NZ-OE1 3.62Å; K688-E690 PolarHBondContact NZ-OE1 2.81Å; K688-E690 VanDerWaalsContact NZ-OE1 3.08Å; K688-E690 IonicContact NZ-OE2 3.36Å; K688-E690 PolarHBondContact NZ-OE2 2.84Å
691	A	23.7	Very low	25.4	Very low	94 Å²	94	157.9 Å²	157.9	78%	0.777	79%	0.794	S	S	*	*			trans	-174	99.2	134.8	0	0	0	0	0	107.9
692	E	23.3	Very low	25.9	Very low	180 Å²	180	156.6 Å²	156.6	84%	0.841	80%	0.797	S	S	*	*				56.7	101	96.4	-86.1	-174.2	155.2	0	0	114.6
693	F	23.7	Very low	26.5	Very low	185 Å²	185	156.1 Å²	156.1	81%	0.811	79%	0.794	S	S	*	*				90.5	110.1	85.2	-111.1	-77.3	0	0	0	113.7
694	D	22.1	Very low	27	Very low	151 Å²	151	157.7 Å²	157.7	81%	0.807	80%	0.795	S	S	*	*			trans	-155.5	130.5	138.9	-162.3	6.1	0	0	0	110.9
695	H	28.2	Very low	27.6	Very low	161 Å²	161	161.5 Å²	161.5	75%	0.745	80%	0.795	S	S	*	*			trans	-119	105.9	177.6	-108.6	-54.2	0	0	0	107.3
696	R	27.5	Very low	28.5	Very low	246 Å²	246	157.3 Å²	157.3	93%	0.928	80%	0.797	S	S	*	*			trans	-171	118.3	157.4	-105.1	158	-166	-130.1	5.5	110
697	G	28.3	Very low	29	Very low	80 Å²	80	156.1 Å²	156.1	83%	0.825	80%	0.795	S	S	*	*			trans	145.1	77.4	169.2	0	0	0	0	0	114.2
698	L	29.5	Very low	30.2	Very low	159 Å²	159	151.4 Å²	151.4	83%	0.832	78%	0.784	S	S	*	*			trans	-62.5	145.9	165	-113.8	79.8	0	0	0	110.8
699	W	31.4	Very low	31.4	Very low	237 Å²	237	152.5 Å²	152.5	90%	0.898	80%	0.797	S	S	*	*	S	Bend	trans	65.7	98.9	158.4	-84.9	38	0	0	0	117.2
700	M	30.3	Very low	32.8	Very low	186 Å²	186	148 Å²	148	92%	0.916	79%	0.79	S	S	*	*			trans	149.3	86.9	141.5	-81.4	-70.9	-79.4	0	0	109.6
701	S	33	Very low	34.1	Very low	99 Å²	99	145.7 Å²	145.7	69%	0.692	78%	0.782	S	S	*	*			trans	-172.9	51.8	160.7	-180	0	0	0	0	111.1
702	V	35.7	Very low	35.9	Very low	146 Å²	146	145 Å²	145	89%	0.885	77%	0.765	S	S	*	*	S	Bend	trans	-107.6	16.3	170.3	175.8	0	0	0	0	111
703	I	37.9	Very low	38.1	Very low	155 Å²	155	139.6 Å²	139.6	80%	0.795	75%	0.746	S	S	*	*			trans	-139.2	79.8	175.9	-48.7	177	0	0	0	109.5
704	T	31.6	Very low	40.3	Very low	127 Å²	127	135.3 Å²	135.3	78%	0.779	73%	0.731	S	S	*	*			trans	-159.5	68.2	156	36.7	0	0	0	0	108.1
705	I	37.1	Very low	42.5	Very low	155 Å²	155	131.5 Å²	131.5	80%	0.795	72%	0.716	S	S	*	*	S	Bend	trans	-97.8	132.2	158.5	-66.1	174.7	0	0	0	105.3	F707	I705-F707 WeakPolarHBondContact O-CD2 3.23Å; I705-F707 PolarHBondContact O-N 2.62Å
706	G	41.4	Very low	45.1	Very low	79 Å²	79	128.2 Å²	128.2	81%	0.814	71%	0.707	S	S	*	*			trans	-48	120.5	-163.9	0	0	0	0	0	115.4
707	F	33.5	Very low	47.8	Very low	149 Å²	149	120.6 Å²	120.6	65%	0.654	68%	0.684	S	S	*	*			trans	-113.3	127	156.4	-75.5	-84.5	0	0	0	106.9	I705 I712	I705-F707 WeakPolarHBondContact O-CD2 3.23Å; I705-F707 PolarHBondContact O-N 2.62Å; F707-I712 HydrophobicContact CB-CD1 3.73Å; F707-I712 HydrophobicContact CB-CG1 3.8Å; F707-I712 HydrophobicContact CD1-CG1 4.5Å; F707-I712 HydrophobicContact CG-CD1 4.32Å; F707-I712 HydrophobicContact CG-CG1 4.23Å
708	S	48.8	Very low	50.3	Low	79 Å²	79	121.5 Å²	121.5	55%	0.552	67%	0.669	S	S	*	*			trans	-60	133.1	166.1	-40	0	0	0	0	108.3	L710 D711	S708-L710 PolarHBondContact O-N 3.24Å; S708-D711 PolarHBondContact O-N 3.45Å
709	D	47.7	Very low	53.2	Low	148 Å²	148	122.5 Å²	122.5	79%	0.791	66%	0.663	S	S	*	*	H	α-helix	trans	-56.7	-15.8	-178.8	-75.5	-43.7	0	0	0	114.2
710	L	50.2	Low	55.8	Low	151 Å²	151	113.7 Å²	113.7	79%	0.791	64%	0.641	S	S	*	*	H	α-helix	trans	-75.6	-31.2	173.8	-93.4	135.3	0	0	0	114.2	S708	S708-L710 PolarHBondContact O-N 3.24Å
711	D	51.8	Low	58.5	Low	92 Å²	92	109.7 Å²	109.7	49%	0.492	62%	0.623	S	S	.	*	H	α-helix	trans	-84.6	-28.2	-175.6	-81.1	-38.5	0	0	0	113.2	S708 C715	S708-D711 PolarHBondContact O-N 3.45Å; D711-C715 WeakPolarHBondContact O-CB 3.37Å; D711-C715 PolarHBondContact O-N 3.08Å; D711-C715 VanDerWaalsContact O-N 3.15Å
712	I	61.4	Low	61.1	Low	81 Å²	81	108.1 Å²	108.1	42%	0.415	61%	0.612	S	S	.	*	H	α-helix	trans	-68.4	-40.3	174.7	-59.8	-179.4	0	0	0	110.1	F707 C715 V716	F707-I712 HydrophobicContact CB-CD1 3.73Å; F707-I712 HydrophobicContact CB-CG1 3.8Å; F707-I712 HydrophobicContact CD1-CG1 4.5Å; F707-I712 HydrophobicContact CG-CD1 4.32Å; F707-I712 HydrophobicContact CG-CG1 4.23Å; I712-C715 PolarHBondContact O-N 2.96Å; I712-V716 HydrophobicContact CG2-CG2 4.21Å; I712-V716 WeakPolarHBondContact O-CB 3.37Å; I712-V716 VanDerWaalsContact O-CG2 3.23Å; I712-V716 WeakPolarHBondContact O-CG2 3.37Å; I712-V716 PolarHBondContact O-N 3.31Å
713	S	68.9	Low	63.8	Low	65 Å²	65	107.5 Å²	107.5	46%	0.455	60%	0.597	S	S	.	*	H	α-helix	trans	-63.5	-44.5	179.8	-171.3	0	0	0	0	111.9	V716 I717	S713-V716 PolarHBondContact O-N 2.94Å; S713-I717 WeakPolarHBondContact O-CB 3.39Å; S713-I717 WeakPolarHBondContact O-CD1 3.35Å; S713-I717 WeakPolarHBondContact O-CG1 3.47Å; S713-I717 PolarHBondContact O-N 3.02Å
714	L	70.5	Confident	66.2	Low	95 Å²	95	103.9 Å²	103.9	50%	0.497	58%	0.583	S	S	.	*	H	α-helix	trans	-65.7	-42.8	178	-171.4	69	0	0	0	112	I717 L718	L714-I717 PolarHBondContact O-N 3.5Å; L714-L718 HydrophobicContact CG-CD1 4.02Å; L714-L718 HydrophobicContact CG-CG 4.45Å; L714-L718 WeakPolarHBondContact O-CB 3.45Å; L714-L718 VanDerWaalsContact O-CG 3.27Å; L714-L718 WeakPolarHBondContact O-CG 3.25Å; L714-L718 PolarHBondContact O-N 3.37Å
715	C	68.3	Low	68.8	Low	72 Å²	72	101.7 Å²	101.7	49%	0.486	57%	0.572	S	S	.	*	H	α-helix	trans	-61	-45.7	175.5	-87.4	0	0	0	0	112	D711 I712 I717 L718 Y719	D711-C715 WeakPolarHBondContact O-CB 3.37Å; D711-C715 PolarHBondContact O-N 3.08Å; D711-C715 VanDerWaalsContact O-N 3.15Å; I712-C715 PolarHBondContact O-N 2.96Å; C715-I717 VanDerWaalsContact C-N 3.33Å; C715-I717 PolarHBondContact O-N 3.42Å; C715-L718 PolarHBondContact O-N 3Å; C715-Y719 WeakPolarHBondContact O-CB 3.34Å; C715-Y719 VanDerWaalsContact O-CD2 3.32Å; C715-Y719 WeakPolarHBondContact O-CD2 3.4Å; C715-Y719 PolarHBondContact O-N 2.98Å
716	V	83	Confident	71.4	Confident	91 Å²	91	99.2 Å²	99.2	55%	0.552	56%	0.56	S	S	*	*	H	α-helix	trans	-63.6	-40	178.3	172.9	0	0	0	0	111.1	I712 S713 Y719 A720	I712-V716 HydrophobicContact CG2-CG2 4.21Å; I712-V716 WeakPolarHBondContact O-CB 3.37Å; I712-V716 VanDerWaalsContact O-CG2 3.23Å; I712-V716 WeakPolarHBondContact O-CG2 3.37Å; I712-V716 PolarHBondContact O-N 3.31Å; S713-V716 PolarHBondContact O-N 2.94Å; V716-Y719 PolarHBondContact O-N 3.42Å; V716-A720 WeakPolarHBondContact O-CB 3.34Å; V716-A720 PolarHBondContact O-N 3Å
717	I	83.1	Confident	73.7	Confident	86 Å²	86	99.6 Å²	99.6	44%	0.441	54%	0.542	S	S	.	.	H	α-helix	trans	-64.9	-44.8	175.9	-69	165.7	0	0	0	111	S713 L714 C715 A720 L721	S713-I717 WeakPolarHBondContact O-CB 3.39Å; S713-I717 WeakPolarHBondContact O-CD1 3.35Å; S713-I717 WeakPolarHBondContact O-CG1 3.47Å; S713-I717 PolarHBondContact O-N 3.02Å; L714-I717 PolarHBondContact O-N 3.5Å; C715-I717 VanDerWaalsContact C-N 3.33Å; C715-I717 PolarHBondContact O-N 3.42Å; I717-A720 PolarHBondContact O-N 2.73Å; I717-L721 HydrophobicContact CG2-CD1 3.93Å; I717-L721 HydrophobicContact CG2-CG 4.44Å; I717-L721 WeakPolarHBondContact O-CB 3.5Å; I717-L721 WeakPolarHBondContact O-CG 2.92Å; I717-L721 PolarHBondContact O-N 3.03Å
718	L	81.9	Confident	76.2	Confident	99 Å²	99	95.4 Å²	95.4	52%	0.518	54%	0.535	S	S	.	.	H	α-helix	trans	-66	-38.5	178.6	-71.7	171.9	0	0	0	112.1	L714 C715 L721 S722	L714-L718 HydrophobicContact CG-CD1 4.02Å; L714-L718 HydrophobicContact CG-CG 4.45Å; L714-L718 WeakPolarHBondContact O-CB 3.45Å; L714-L718 VanDerWaalsContact O-CG 3.27Å; L714-L718 WeakPolarHBondContact O-CG 3.25Å; L714-L718 PolarHBondContact O-N 3.37Å; C715-L718 PolarHBondContact O-N 3Å; L718-L721 PolarHBondContact O-N 3.19Å; L718-S722 WeakPolarHBondContact O-CB 2.95Å; L718-S722 PolarHBondContact O-N 2.77Å
719	Y	89.1	Confident	78.2	Confident	181 Å²	181	96.4 Å²	96.4	71%	0.71	53%	0.532	S	S	*	.	H	α-helix	trans	-65.5	-42.2	173.2	-93.9	-78.7	0	0	0	112	C715 V716 S722 F723	C715-Y719 WeakPolarHBondContact O-CB 3.34Å; C715-Y719 VanDerWaalsContact O-CD2 3.32Å; C715-Y719 WeakPolarHBondContact O-CD2 3.4Å; C715-Y719 PolarHBondContact O-N 2.98Å; V716-Y719 PolarHBondContact O-N 3.42Å; Y719-S722 PolarHBondContact O-N 3.48Å; Y719-F723 WeakPolarHBondContact O-CB 3.5Å; Y719-F723 PolarHBondContact O-N 3.08Å
720	A	86.3	Confident	80	Confident	52 Å²	52	93.2 Å²	93.2	43%	0.43	52%	0.521	S	S	.	.	H	α-helix	trans	-63.5	-43.9	176	0	0	0	0	0	111.6	V716 I717 F723 T724	V716-A720 WeakPolarHBondContact O-CB 3.34Å; V716-A720 PolarHBondContact O-N 3Å; I717-A720 PolarHBondContact O-N 2.73Å; A720-F723 PolarHBondContact O-N 2.81Å; A720-T724 WeakPolarHBondContact O-CG2 3.17Å; A720-T724 PolarHBondContact O-N 2.61Å; A720-T724 PolarHBondContact O-OG1 2.94Å
721	L	87.6	Confident	81.6	Confident	102 Å²	102	90.5 Å²	90.5	53%	0.534	51%	0.51	S	S	.	.	H	α-helix	trans	-63	-44.7	176.5	-74.2	170.8	0	0	0	111.7	I717 L718 F723 T724 C725	I717-L721 HydrophobicContact CG2-CD1 3.93Å; I717-L721 HydrophobicContact CG2-CG 4.44Å; I717-L721 WeakPolarHBondContact O-CB 3.5Å; I717-L721 WeakPolarHBondContact O-CG 2.92Å; I717-L721 PolarHBondContact O-N 3.03Å; L718-L721 PolarHBondContact O-N 3.19Å; L721-F723 PolarHBondContact O-N 3.09Å; L721-T724 WeakPolarHBondContact CA-OG1 3.46Å; L721-T724 PolarHBondContact O-N 3.4Å; L721-T724 PolarHBondContact O-OG1 3.09Å; L721-C725 WeakPolarHBondContact O-CB 3.44Å; L721-C725 PolarHBondContact O-N 2.74Å
722	S	87.3	Confident	83.3	Confident	66 Å²	66	91 Å²	91	46%	0.462	51%	0.508	S	S	.	.	H	α-helix	trans	-58.4	-46.4	175	179.6	0	0	0	0	111.9	L718 Y719 T724 C725 L726	L718-S722 WeakPolarHBondContact O-CB 2.95Å; L718-S722 PolarHBondContact O-N 2.77Å; Y719-S722 PolarHBondContact O-N 3.48Å; S722-T724 PolarHBondContact O-N 2.87Å; S722-C725 PolarHBondContact O-N 2.89Å; S722-L726 WeakPolarHBondContact O-CG 3.2Å; S722-L726 PolarHBondContact O-N 3.03Å
723	F	92.9	Very high	84.3	Confident	132 Å²	132	92.3 Å²	92.3	58%	0.579	51%	0.511	S	S	*	.	H	α-helix	trans	-63.6	-43.1	178.6	-177.6	-104.2	0	0	0	112.7	Y719 A720 L721 C725 L726 L727	Y719-F723 WeakPolarHBondContact O-CB 3.5Å; Y719-F723 PolarHBondContact O-N 3.08Å; A720-F723 PolarHBondContact O-N 2.81Å; L721-F723 PolarHBondContact O-N 3.09Å; F723-C725 VanDerWaalsContact C-N 3.32Å; F723-C725 PolarHBondContact O-N 3.43Å; F723-L726 PolarHBondContact O-N 2.94Å; F723-L727 HydrophobicContact CD1-CD1 3.78Å; F723-L727 HydrophobicContact CE1-CD1 3.26Å; F723-L727 HydrophobicContact CE1-CG 4.26Å; F723-L727 HydrophobicContact CZ-CD1 3.69Å; F723-L727 HydrophobicContact CZ-CG 4.31Å; F723-L727 PolarHBondContact O-N 3.16Å
724	T	88	Confident	84.7	Confident	80 Å²	80	99 Å²	99	49%	0.491	53%	0.526	S	S	.	.	H	α-helix	trans	-64.4	-36.1	175.7	58	0	0	0	0	112.5	A720 L721 S722 L727 A728	A720-T724 WeakPolarHBondContact O-CG2 3.17Å; A720-T724 PolarHBondContact O-N 2.61Å; A720-T724 PolarHBondContact O-OG1 2.94Å; L721-T724 WeakPolarHBondContact CA-OG1 3.46Å; L721-T724 PolarHBondContact O-N 3.4Å; L721-T724 PolarHBondContact O-OG1 3.09Å; S722-T724 PolarHBondContact O-N 2.87Å; T724-L727 PolarHBondContact O-N 3.21Å; T724-A728 WeakPolarHBondContact O-CB 3.44Å; T724-A728 PolarHBondContact O-N 3.29Å
725	C	86.5	Confident	84.7	Confident	81 Å²	81	98 Å²	98	55%	0.547	53%	0.528	S	S	.	.	H	α-helix	trans	-67.5	-40.9	177.1	-155.5	0	0	0	0	111.6	L721 S722 F723 A728 M729	L721-C725 WeakPolarHBondContact O-CB 3.44Å; L721-C725 PolarHBondContact O-N 2.74Å; S722-C725 PolarHBondContact O-N 2.89Å; F723-C725 VanDerWaalsContact C-N 3.32Å; F723-C725 PolarHBondContact O-N 3.43Å; C725-A728 PolarHBondContact O-N 2.97Å; C725-M729 WeakPolarHBondContact O-CB 3.19Å; C725-M729 VanDerWaalsContact O-CG 3.31Å; C725-M729 WeakPolarHBondContact O-CG 3.24Å; C725-M729 PolarHBondContact O-N 3.44Å
726	L	91.5	Very high	84.8	Confident	103 Å²	103	103.7 Å²	103.7	54%	0.539	54%	0.539	S	S	.	.	H	α-helix	trans	-65.4	-38.7	173.9	-72.4	171.7	0	0	0	112.5	S722 F723 M729 C730	S722-L726 WeakPolarHBondContact O-CG 3.2Å; S722-L726 PolarHBondContact O-N 3.03Å; F723-L726 PolarHBondContact O-N 2.94Å; L726-M729 PolarHBondContact O-N 2.8Å; L726-C730 WeakPolarHBondContact O-CB 3.31Å; L726-C730 PolarHBondContact O-N 2.79Å
727	L	88.4	Confident	84	Confident	86 Å²	86	106.8 Å²	106.8	45%	0.45	55%	0.551	S	S	.	*	H	α-helix	trans	-64.4	-44.1	173.2	-90.5	166.8	0	0	0	111.8	F723 T724 M729 C730 V731	F723-L727 HydrophobicContact CD1-CD1 3.78Å; F723-L727 HydrophobicContact CE1-CD1 3.26Å; F723-L727 HydrophobicContact CE1-CG 4.26Å; F723-L727 HydrophobicContact CZ-CD1 3.69Å; F723-L727 HydrophobicContact CZ-CG 4.31Å; F723-L727 PolarHBondContact O-N 3.16Å; T724-L727 PolarHBondContact O-N 3.21Å; L727-M729 VanDerWaalsContact C-N 3.34Å; L727-M729 PolarHBondContact O-N 3.34Å; L727-C730 PolarHBondContact O-N 3.19Å; L727-V731 WeakPolarHBondContact O-CG2 3.34Å; L727-V731 PolarHBondContact O-N 3.31Å
728	A	87.4	Confident	82.4	Confident	61 Å²	61	116 Å²	116	50%	0.504	58%	0.58	S	S	.	*	H	α-helix	trans	-61.2	-43	176.3	0	0	0	0	0	111.6	T724 C725 V731 F732	T724-A728 WeakPolarHBondContact O-CB 3.44Å; T724-A728 PolarHBondContact O-N 3.29Å; C725-A728 PolarHBondContact O-N 2.97Å; A728-V731 PolarHBondContact O-N 3.42Å; A728-F732 VanDerWaalsContact O-CB 3.27Å; A728-F732 WeakPolarHBondContact O-CB 3.34Å; A728-F732 PolarHBondContact O-N 3.32Å
729	M	89.9	Confident	82.4	Confident	100 Å²	100	116.8 Å²	116.8	49%	0.493	58%	0.584	S	S	.	*	H	α-helix	trans	-60.6	-47.5	172.8	-74.8	-107.2	-68.2	0	0	111.7	C725 L726 L727 V731 F732 F733	C725-M729 WeakPolarHBondContact O-CB 3.19Å; C725-M729 VanDerWaalsContact O-CG 3.31Å; C725-M729 WeakPolarHBondContact O-CG 3.24Å; C725-M729 PolarHBondContact O-N 3.44Å; L726-M729 PolarHBondContact O-N 2.8Å; L727-M729 VanDerWaalsContact C-N 3.34Å; L727-M729 PolarHBondContact O-N 3.34Å; M729-V731 VanDerWaalsContact C-N 3.35Å; M729-V731 PolarHBondContact O-N 2.62Å; M729-F732 PolarHBondContact O-N 2.98Å; M729-F733 HydrophobicContact CE-CE2 4.2Å; M729-F733 WeakPolarHBondContact O-CD2 3.14Å; M729-F733 PolarHBondContact O-N 3.42Å; M729-F733 HydrophobicContact SD-CE2 4.09Å
730	C	85.4	Confident	82	Confident	82 Å²	82	113.4 Å²	113.4	55%	0.554	58%	0.577	S	S	*	*	H	α-helix	trans	-60.4	-42.2	177.5	-93.8	0	0	0	0	112.5	L726 L727 R734	L726-C730 WeakPolarHBondContact O-CB 3.31Å; L726-C730 PolarHBondContact O-N 2.79Å; L727-C730 PolarHBondContact O-N 3.19Å; C730-R734 VanDerWaalsContact O-CB 3.31Å; C730-R734 WeakPolarHBondContact O-CB 3.39Å; C730-R734 PolarHBondContact O-N 2.96Å
731	V	84.9	Confident	81.8	Confident	94 Å²	94	116.8 Å²	116.8	57%	0.57	59%	0.585	S	S	*	*	H	α-helix	trans	-66.9	-43	176.3	172.2	0	0	0	0	110.6	L727 A728 M729 R734 S735	L727-V731 WeakPolarHBondContact O-CG2 3.34Å; L727-V731 PolarHBondContact O-N 3.31Å; A728-V731 PolarHBondContact O-N 3.42Å; M729-V731 VanDerWaalsContact C-N 3.35Å; M729-V731 PolarHBondContact O-N 2.62Å; V731-R734 PolarHBondContact O-N 3.39Å; V731-S735 WeakPolarHBondContact O-CB 3.49Å; V731-S735 PolarHBondContact O-N 3.25Å; V731-S735 PolarHBondContact O-OG 3.08Å
732	F	87.1	Confident	81.5	Confident	101 Å²	101	117.7 Å²	117.7	44%	0.443	59%	0.588	S	S	.	*	H	α-helix	trans	-58.4	-50.2	175.8	177.3	-98.2	0	0	0	111.5	A728 M729 S735 R736	A728-F732 VanDerWaalsContact O-CB 3.27Å; A728-F732 WeakPolarHBondContact O-CB 3.34Å; A728-F732 PolarHBondContact O-N 3.32Å; M729-F732 PolarHBondContact O-N 2.98Å; F732-S735 PolarHBondContact O-N 3.45Å; F732-S735 PolarHBondContact O-OG 2.93Å; F732-R736 PolarHBondContact O-N 3.16Å; F732-R736 VanDerWaalsContact O-N 3.11Å
733	F	82.8	Confident	81.1	Confident	109 Å²	109	120.9 Å²	120.9	48%	0.478	60%	0.596	S	S	.	*	H	α-helix	trans	-66.4	-38.4	177.5	-75.2	-65.9	0	0	0	112.6	M729 S735 R736 L737	M729-F733 HydrophobicContact CE-CE2 4.2Å; M729-F733 WeakPolarHBondContact O-CD2 3.14Å; M729-F733 PolarHBondContact O-N 3.42Å; M729-F733 HydrophobicContact SD-CE2 4.09Å; F733-S735 VanDerWaalsContact C-N 3.31Å; F733-S735 PolarHBondContact O-N 3.19Å; F733-R736 PolarHBondContact O-N 2.89Å; F733-L737 WeakPolarHBondContact O-CB 3.34Å; F733-L737 WeakPolarHBondContact O-CG 3.47Å; F733-L737 PolarHBondContact O-N 3.19Å; F733-L737 VanDerWaalsContact O-N 3.11Å
734	R	76.3	Confident	80.3	Confident	205 Å²	205	120.2 Å²	120.2	77%	0.774	60%	0.597	S	S	*	*	H	α-helix	trans	-63.8	-35.1	172.8	-95	-173.8	149.9	151.9	-3.1	113.1	C730 V731 R736 L737 R738	C730-R734 VanDerWaalsContact O-CB 3.31Å; C730-R734 WeakPolarHBondContact O-CB 3.39Å; C730-R734 PolarHBondContact O-N 2.96Å; V731-R734 PolarHBondContact O-N 3.39Å; R734-R736 VanDerWaalsContact C-N 3.33Å; R734-L737 PolarHBondContact O-N 3.42Å; R734-R738 PolarHBondContact O-N 3.47Å
735	S	70.4	Confident	79.8	Confident	75 Å²	75	123.1 Å²	123.1	52%	0.524	61%	0.605	S	S	.	*	H	α-helix	trans	-74	-23.6	178.6	72.9	0	0	0	0	113.4	V731 F732 F733	V731-S735 WeakPolarHBondContact O-CB 3.49Å; V731-S735 PolarHBondContact O-N 3.25Å; V731-S735 PolarHBondContact O-OG 3.08Å; F732-S735 PolarHBondContact O-N 3.45Å; F732-S735 PolarHBondContact O-OG 2.93Å; F733-S735 VanDerWaalsContact C-N 3.31Å; F733-S735 PolarHBondContact O-N 3.19Å
736	R	71.8	Confident	79.2	Confident	192 Å²	192	126.3 Å²	126.3	73%	0.725	61%	0.609	S	S	*	*	H	α-helix	trans	-89.2	-15.6	173.9	-93.3	-159.6	173.5	-163.5	1.1	114.6	F732 F733 R734	F732-R736 PolarHBondContact O-N 3.16Å; F732-R736 VanDerWaalsContact O-N 3.11Å; F733-R736 PolarHBondContact O-N 2.89Å; R734-R736 VanDerWaalsContact C-N 3.33Å
737	L	65.8	Low	78.2	Confident	155 Å²	155	128.3 Å²	128.3	81%	0.812	62%	0.615	S	S	*	*			trans	-96	-3.1	177.7	-73.5	167.7	0	0	0	113.1	F733 R734	F733-L737 WeakPolarHBondContact O-CB 3.34Å; F733-L737 WeakPolarHBondContact O-CG 3.47Å; F733-L737 PolarHBondContact O-N 3.19Å; F733-L737 VanDerWaalsContact O-N 3.11Å; R734-L737 PolarHBondContact O-N 3.42Å
738	R	48.4	Very low	77.3	Confident	279 Å²	279	132.1 Å²	132.1	100%	1.053	63%	0.63	S	S	*	*			trans	-98.8	0	158.9	-80.4	-176.5	175	172.9	-1.8	108.5	R734	R734-R738 PolarHBondContact O-N 3.47Å

Retrieved 738 of 738 residues in 894.2 ms (Link to these results)

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