A0A3Q0KMF5_SCHMA Loading...

G-protein coupled receptors family 1 profile domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KMF5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 707 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	32.1	Very low	250 Å²	250	172.1 Å²	172.1	100%	1.232	89%	0.887	S	S	*	*				0	173.5	0	-81.3	177.3	166.9	0	0	109.4
2	R	30	Very low	32.1	Very low	253 Å²	253	170.9 Å²	170.9	96%	0.955	88%	0.88	S	S	*	*			trans	-47	137.3	176.2	-54.5	164.6	-175.5	159.8	-1	110.7
3	G	28.6	Very low	32.4	Very low	70 Å²	70	170.2 Å²	170.2	72%	0.722	88%	0.876	S	S	*	*			cis	106.4	95.2	0.1	0	0	0	0	0	113
4	I	36.5	Very low	32.3	Very low	156 Å²	156	171.7 Å²	171.7	80%	0.8	88%	0.878	S	S	*	*			trans	-136.8	134	168.3	-82.6	140.5	0	0	0	107.9	L6	I4-L6 HydrophobicContact CG2-CD1 4.43Å; I4-L6 HydrophobicContact CG2-CG 4.17Å
5	R	29.8	Very low	32.7	Very low	244 Å²	244	168.8 Å²	168.8	92%	0.921	87%	0.871	S	S	*	*			trans	-103.7	133.2	165.2	-74.3	174.5	169.5	169.9	-4.6	107.7
6	L	34.7	Very low	32.9	Very low	167 Å²	167	170.6 Å²	170.6	87%	0.874	87%	0.871	S	S	*	*			trans	-120.3	80.2	164	-81.2	168.1	0	0	0	110	I4	I4-L6 HydrophobicContact CG2-CD1 4.43Å; I4-L6 HydrophobicContact CG2-CG 4.17Å
7	R	32.1	Very low	32.7	Very low	227 Å²	227	166.8 Å²	166.8	86%	0.857	86%	0.863	S	S	*	*			trans	-102.7	160.2	147.6	-73.1	-173.9	177.3	-179.4	-1.2	107.2
8	N	33.5	Very low	32.7	Very low	162 Å²	162	166.2 Å²	166.2	87%	0.866	86%	0.86	S	S	*	*			trans	84.9	84.7	177.5	-48.6	-5.2	0	0	0	115
9	A	31.2	Very low	32.5	Very low	111 Å²	111	164.9 Å²	164.9	92%	0.917	86%	0.861	S	S	*	*			trans	-138.8	43.6	158.7	0	0	0	0	0	110
10	A	30.7	Very low	32.9	Very low	88 Å²	88	163.7 Å²	163.7	73%	0.727	85%	0.854	S	S	*	*			trans	-148.9	69.5	-172.7	0	0	0	0	0	111.6
11	N	32.5	Very low	32.9	Very low	165 Å²	165	161.7 Å²	161.7	88%	0.882	85%	0.849	S	S	*	*			trans	176	165.2	152.4	-97.5	-36.1	0	0	0	110.5
12	I	31.9	Very low	33.2	Very low	158 Å²	158	155.4 Å²	155.4	81%	0.81	83%	0.827	S	S	*	*			trans	68.5	94.4	173.8	-43	175.3	0	0	0	115.2
13	I	36.3	Very low	33.3	Very low	161 Å²	161	148.7 Å²	148.7	83%	0.826	82%	0.816	S	S	*	*				-145	126.4	114.2	-94.9	152.2	0	0	0	106.3
14	Q	30.5	Very low	33.5	Very low	192 Å²	192	153.9 Å²	153.9	90%	0.897	83%	0.826	S	S	*	*			trans	-136.5	98.4	-179.5	-176.2	-171.6	28.8	0	0	107.9
15	T	38.4	Very low	33.2	Very low	128 Å²	128	151.7 Å²	151.7	79%	0.785	82%	0.82	S	S	*	*			trans	-131.7	146.6	-177	-31.3	0	0	0	0	110.2
16	K	35.4	Very low	33.3	Very low	198 Å²	198	145.9 Å²	145.9	86%	0.861	81%	0.812	S	S	*	*			trans	-82.1	157.8	-161.3	-66.9	177.9	179.3	176.4	0	114
17	S	30.6	Very low	33.1	Very low	106 Å²	106	144.2 Å²	144.2	74%	0.741	81%	0.809	S	S	*	*			trans	-38	137.3	169.4	53.2	0	0	0	0	116
18	L	32	Very low	33.3	Very low	155 Å²	155	139.7 Å²	139.7	81%	0.812	81%	0.807	S	S	*	*			trans	-137.7	132	143.7	-143.9	87.8	0	0	0	109.2	I20	L18-I20 HydrophobicContact CD2-CD1 4.18Å; L18-I20 HydrophobicContact CD2-CG1 4.42Å
19	T	29.4	Very low	33.1	Very low	142 Å²	142	138.2 Å²	138.2	87%	0.871	80%	0.804	S	S	*	*			trans	-86.9	112.4	-178.2	-51.7	0	0	0	0	110
20	I	40.7	Very low	33.2	Very low	140 Å²	140	142.5 Å²	142.5	72%	0.718	80%	0.802	S	S	*	*			trans	-132.6	138.3	172.4	-60.8	-177.4	0	0	0	109.6	L18	L18-I20 HydrophobicContact CD2-CD1 4.18Å; L18-I20 HydrophobicContact CD2-CG1 4.42Å
21	T	33.4	Very low	33.3	Very low	123 Å²	123	145.9 Å²	145.9	76%	0.755	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-57.4	140.7	-176	-42.7	0	0	0	0	113
22	P	38.1	Very low	33.1	Very low	117 Å²	117	144.2 Å²	144.2	76%	0.76	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-69.9	134.1	-178.6	27.7	-35.7	0	0	0	112.7
23	P	33.7	Very low	32.9	Very low	113 Å²	113	139.9 Å²	139.9	73%	0.734	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-75.9	131.2	167.6	30.9	-32.3	0	0	0	110.9	T25	P23-T25 PolarHBondContact O-N 2.65Å
24	L	31.2	Very low	32.8	Very low	179 Å²	179	139.9 Å²	139.9	94%	0.937	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-74.5	116.8	171.7	-176.9	75.5	0	0	0	109.2
25	T	31.8	Very low	32.7	Very low	110 Å²	110	140.9 Å²	140.9	68%	0.675	81%	0.805	S	S	*	*			trans	-146.1	90.1	-179.3	-48.2	0	0	0	0	113.2	P23	P23-T25 PolarHBondContact O-N 2.65Å
26	T	30.9	Very low	32.5	Very low	122 Å²	122	140.8 Å²	140.8	75%	0.748	80%	0.796	S	S	*	*			trans	38.6	97.3	151.1	55.8	0	0	0	0	119.1
27	T	30.5	Very low	32.3	Very low	132 Å²	132	134.7 Å²	134.7	81%	0.81	78%	0.778	S	S	*	*			trans	-59.3	129.4	149.7	44.7	0	0	0	0	111.1
28	T	36.1	Very low	32.7	Very low	132 Å²	132	138.4 Å²	138.4	81%	0.81	79%	0.788	S	S	*	*			trans	-79.6	115.9	164.2	37.3	0	0	0	0	110.1	F30	T28-F30 PolarHBondContact O-N 2.72Å
29	T	30.3	Very low	32.9	Very low	130 Å²	130	137.7 Å²	137.7	80%	0.798	79%	0.785	S	S	*	*			trans	-72.4	110.4	178.7	26.2	0	0	0	0	111.6
30	F	33.2	Very low	33.4	Very low	202 Å²	202	136.2 Å²	136.2	89%	0.886	77%	0.77	S	S	*	*			trans	-74.6	138.9	156.2	-99.9	-89.2	0	0	0	109.7	T28 S32	T28-F30 PolarHBondContact O-N 2.72Å; F30-S32 PolarHBondContact O-N 3.35Å
31	N	32.1	Very low	33.5	Very low	158 Å²	158	137.2 Å²	137.2	85%	0.845	77%	0.772	S	S	*	*			trans	-59.6	124.5	-169.9	-83.4	-13.9	0	0	0	113.4	G33	N31-G33 PolarHBondContact O-N 3.39Å
32	S	27.7	Very low	34.3	Very low	130 Å²	130	135.2 Å²	135.2	91%	0.909	75%	0.754	S	S	*	*			trans	-69.3	87.7	169.3	52.5	0	0	0	0	110.8	F30	F30-S32 PolarHBondContact O-N 3.35Å
33	G	28.9	Very low	35.1	Very low	68 Å²	68	133.5 Å²	133.5	70%	0.701	74%	0.738	S	S	*	*			trans	-123.9	-17.1	-173.1	0	0	0	0	0	117	N31	N31-G33 PolarHBondContact O-N 3.39Å
34	I	33	Very low	36.6	Very low	160 Å²	160	128.8 Å²	128.8	82%	0.821	71%	0.706	S	S	*	*			trans	-137.3	127.7	178.2	-57.5	-179.9	0	0	0	109.1	Q36	I34-Q36 VanDerWaalsContact C-N 3.33Å; I34-Q36 PolarHBondContact O-N 3.49Å
35	K	28.6	Very low	38.3	Very low	214 Å²	214	120.3 Å²	120.3	93%	0.93	66%	0.662	S	S	*	*			trans	-76.5	85.8	168	-75.6	-176.7	176	178.7	0	109.3	S37	K35-S37 PolarHBondContact O-N 2.97Å
36	Q	34.7	Very low	39.7	Very low	126 Å²	126	115.9 Å²	115.9	59%	0.589	63%	0.634	S	S	*	*			trans	-60.2	127.6	172.8	-162.7	171	3.2	0	0	109	I34 H42	I34-Q36 VanDerWaalsContact C-N 3.33Å; I34-Q36 PolarHBondContact O-N 3.49Å; Q36-H42 PolarHBondContact NE2-NE2 3.17Å; Q36-H42 VanDerWaalsContact NE2-NE2 3.2Å
37	S	32	Very low	41.2	Very low	70 Å²	70	112.7 Å²	112.7	49%	0.49	62%	0.617	S	S	.	*			trans	-72	134.4	-176.5	48	0	0	0	0	110.6	K35 N39 I40	K35-S37 PolarHBondContact O-N 2.97Å; S37-N39 PolarHBondContact O-N 3.42Å; S37-I40 PolarHBondContact O-N 3.18Å; S37-I40 WeakPolarHBondContact OG-CD1 3.48Å
38	I	37.7	Very low	42.9	Very low	184 Å²	184	110 Å²	110	94%	0.944	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	0.6	-170.5	-68.7	160.1	0	0	0	113.8
39	N	36.5	Very low	44.5	Very low	140 Å²	140	104.9 Å²	104.9	75%	0.749	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.5	12.8	-172.8	-142	11.8	0	0	0	114.3	S37	S37-N39 PolarHBondContact O-N 3.42Å
40	I	40.7	Very low	46	Very low	111 Å²	111	100.3 Å²	100.3	57%	0.569	53%	0.531	S	S	*	.			trans	-100.6	95.3	168.6	-54.8	176	0	0	0	107.9	S37 H42	S37-I40 PolarHBondContact O-N 3.18Å; S37-I40 WeakPolarHBondContact OG-CD1 3.48Å; I40-H42 PolarHBondContact O-N 2.98Å
41	Q	43	Very low	47.6	Very low	161 Å²	161	91.8 Å²	91.8	75%	0.752	49%	0.493	S	S	*	.			trans	-63.7	132.1	169	-72.9	-177.2	-17.2	0	0	109.5	L43	Q41-L43 HydrophobicContact CB-CD1 3.83Å; Q41-L43 PolarHBondContact O-N 2.78Å
42	H	50.6	Low	49.4	Very low	80 Å²	80	85.2 Å²	85.2	37%	0.37	46%	0.457	S	S	.	.			trans	-66.9	87.4	164.6	-86.4	-119.9	0	0	0	108.4	Q36 I40 D44 N415 E420	Q36-H42 PolarHBondContact NE2-NE2 3.17Å; Q36-H42 VanDerWaalsContact NE2-NE2 3.2Å; I40-H42 PolarHBondContact O-N 2.98Å; H42-D44 PolarHBondContact O-N 3.13Å; H42-N415 PolarHBondContact ND1-O 3.13Å; H42-E420 IonicContact CE1-OE2 3.63Å
43	L	54.8	Low	51.4	Low	82 Å²	82	80.1 Å²	80.1	43%	0.429	42%	0.418	S	S	.	.			trans	-66.9	122.9	168	-91.2	73.2	0	0	0	108.2	Q41 R48	Q41-L43 HydrophobicContact CB-CD1 3.83Å; Q41-L43 PolarHBondContact O-N 2.78Å; L43-R48 HydrophobicContact CB-CG 3.61Å; L43-R48 HydrophobicContact CD2-CG 4.33Å; L43-R48 VanDerWaalsContact O-CD 3.28Å; L43-R48 WeakPolarHBondContact O-CD 3.45Å; L43-R48 PolarHBondContact O-NE 3.01Å
44	D	64.8	Low	53.4	Low	14 Å²	14	79.2 Å²	79.2	8%	0.075	40%	0.397	C	S	.	.			trans	-49.3	141.5	173.2	-178.1	-42.9	0	0	0	111.3	H42 L46 S47 R48 K302 M414	H42-D44 PolarHBondContact O-N 3.13Å; D44-L46 PolarHBondContact O-N 2.94Å; D44-L46 VanDerWaalsContact O-N 3.16Å; D44-L46 WeakPolarHBondContact OD1-CA 3.49Å; D44-L46 WeakPolarHBondContact OD1-CB 3.46Å; D44-L46 VanDerWaalsContact OD1-CG 3.31Å; D44-L46 WeakPolarHBondContact OD1-CG 3.22Å; D44-L46 PolarHBondContact OD1-N 2.95Å; D44-S47 PolarHBondContact N-OG 3.36Å; D44-S47 WeakPolarHBondContact O-CA 3.47Å; D44-S47 PolarHBondContact O-N 3.17Å; D44-S47 PolarHBondContact O-OG 2.75Å; D44-R48 WeakPolarHBondContact O-CG 3.14Å; D44-R48 PolarHBondContact O-N 2.71Å; D44-K302 VanDerWaalsContact CG-NZ 3.28Å; D44-K302 IonicContact OD2-NZ 3.51Å; D44-K302 PolarHBondContact OD2-NZ 3.36Å; D44-M414 CarbonylContact C-O 3.46Å; D44-M414 VanDerWaalsContact CA-O 3.29Å; D44-M414 WeakPolarHBondContact CA-O 3.45Å; D44-M414 WeakPolarHBondContact OD1-CB 3.44Å; D44-M414 VanDerWaalsContact OD1-O 3.13Å
45	I	65.8	Low	55.3	Low	0 Å²	0	71.6 Å²	71.6	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-47.9	-41.9	175.3	-60.4	166.5	0	0	0	111.1	S47 R48 Y49 L55 E413 M414 L416 V421 W427	I45-S47 VanDerWaalsContact C-N 3.29Å; I45-S47 PolarHBondContact O-N 3.36Å; I45-R48 PolarHBondContact O-N 2.9Å; I45-Y49 HydrophobicContact CG2-CD2 3.93Å; I45-Y49 PolarHBondContact O-N 3.14Å; I45-L55 HydrophobicContact CG2-CD1 3.25Å; I45-E413 WeakPolarHBondContact CD1-O 3.38Å; I45-M414 VanDerWaalsContact CG1-O 3.3Å; I45-M414 WeakPolarHBondContact CG1-O 3.21Å; I45-M414 PolarHBondContact N-O 2.96Å; I45-L416 HydrophobicContact CD1-CB 4.32Å; I45-L416 WeakPolarHBondContact CG1-O 3.2Å; I45-V421 HydrophobicContact CD1-CG2 3.27Å; I45-V421 HydrophobicContact CG1-CG2 3.78Å; I45-W427 HydrophobicContact CD1-CH2 4.35Å; I45-W427 HydrophobicContact CD1-CZ2 3.42Å; I45-W427 VanDerWaalsContact CD1-CZ2 3.42Å; I45-W427 HydrophobicContact CG2-CH2 4.45Å; I45-W427 HydrophobicContact CG2-CZ2 4.45Å
46	L	62.4	Low	57.7	Low	17 Å²	17	62.1 Å²	62.1	9%	0.089	32%	0.317	C	S	.	.	H	α-helix	trans	-70.8	-18.5	179.4	-54.2	172.8	0	0	0	113.5	D44 F299 K302 M414	D44-L46 PolarHBondContact O-N 2.94Å; D44-L46 VanDerWaalsContact O-N 3.16Å; D44-L46 WeakPolarHBondContact OD1-CA 3.49Å; D44-L46 WeakPolarHBondContact OD1-CB 3.46Å; D44-L46 VanDerWaalsContact OD1-CG 3.31Å; D44-L46 WeakPolarHBondContact OD1-CG 3.22Å; D44-L46 PolarHBondContact OD1-N 2.95Å; L46-F299 HydrophobicContact CD2-CD1 3.61Å; L46-F299 HydrophobicContact CD2-CD2 4.29Å; L46-F299 HydrophobicContact CD2-CE1 3.64Å; L46-F299 HydrophobicContact CD2-CE2 4.29Å; L46-F299 HydrophobicContact CD2-CG 3.94Å; L46-F299 HydrophobicContact CD2-CZ 3.98Å; L46-K302 HydrophobicContact CB-CB 4.26Å; L46-K302 HydrophobicContact CB-CD 3.95Å; L46-K302 HydrophobicContact CD1-CD 4.32Å; L46-M414 HydrophobicContact CD1-CB 4.26Å; L46-M414 HydrophobicContact CD1-CG 3.89Å; L46-M414 HydrophobicContact CD1-SD 3.86Å; L46-M414 HydrophobicContact CD2-CE 4.45Å; L46-M414 HydrophobicContact CD2-SD 3.85Å; L46-M414 HydrophobicContact CG-CB 4.45Å; L46-M414 HydrophobicContact CG-CG 4.28Å; L46-M414 HydrophobicContact CG-SD 3.74Å
47	S	61	Low	59.6	Low	56 Å²	56	60 Å²	60	39%	0.392	31%	0.307	S	S	.	.	H	α-helix	trans	-95.6	-14.4	170.5	69.1	0	0	0	0	113.5	D44 I45	D44-S47 PolarHBondContact N-OG 3.36Å; D44-S47 WeakPolarHBondContact O-CA 3.47Å; D44-S47 PolarHBondContact O-N 3.17Å; D44-S47 PolarHBondContact O-OG 2.75Å; I45-S47 VanDerWaalsContact C-N 3.29Å; I45-S47 PolarHBondContact O-N 3.36Å
48	R	67.7	Low	61.8	Low	76 Å²	76	62.8 Å²	62.8	29%	0.287	31%	0.313	S	S	.	.	H	α-helix	trans	-92.6	-36.4	174.4	-60.6	-173.1	-63.6	103.5	1.8	112.1	L43 D44 I45 L416 D418	L43-R48 HydrophobicContact CB-CG 3.61Å; L43-R48 HydrophobicContact CD2-CG 4.33Å; L43-R48 VanDerWaalsContact O-CD 3.28Å; L43-R48 WeakPolarHBondContact O-CD 3.45Å; L43-R48 PolarHBondContact O-NE 3.01Å; D44-R48 WeakPolarHBondContact O-CG 3.14Å; D44-R48 PolarHBondContact O-N 2.71Å; I45-R48 PolarHBondContact O-N 2.9Å; R48-L416 PolarHBondContact NH2-O 3.26Å; R48-D418 IonicContact CZ-OD1 2.69Å; R48-D418 IonicContact CZ-OD2 3.92Å; R48-D418 IonicContact NH1-OD1 2.81Å; R48-D418 PolarHBondContact NH1-OD1 2.97Å; R48-D418 IonicContact NH1-OD2 3.32Å; R48-D418 PolarHBondContact NH1-OD2 2.66Å; R48-D418 IonicContact NH2-OD1 3.88Å; R48-D418 PolarHBondContact NH2-OD1 3.06Å
49	Y	69.6	Low	63.8	Low	23 Å²	23	54.8 Å²	54.8	9%	0.09	27%	0.272	C	S	.	.			trans	-115.3	100.4	169.8	-52.9	-75.7	0	0	0	108.6	I45 R51 L54 L55 Q58 L59 F299 D418	I45-Y49 HydrophobicContact CG2-CD2 3.93Å; I45-Y49 PolarHBondContact O-N 3.14Å; Y49-R51 PolarHBondContact O-N 3.23Å; Y49-L54 HydrophobicContact CD1-CB 4.1Å; Y49-L55 HydrophobicContact CD2-CB 4.26Å; Y49-L55 HydrophobicContact CD2-CD1 4.1Å; Y49-L55 HydrophobicContact CG-CB 3.99Å; Y49-Q58 HydrophobicContact CE1-CB 3.71Å; Y49-Q58 HydrophobicContact CE1-CG 3.84Å; Y49-Q58 VanDerWaalsContact OH-CG 3.31Å; Y49-Q58 WeakPolarHBondContact OH-CG 3.28Å; Y49-L59 HydrophobicContact CE2-CD1 4Å; Y49-L59 HydrophobicContact CE2-CG 4.46Å; Y49-F299 WeakPolarHBondContact O-CD1 3.23Å; Y49-D418 WeakPolarHBondContact CE2-OD1 3.32Å; Y49-D418 VanDerWaalsContact OH-CG 3.27Å; Y49-D418 PolarHBondContact OH-OD1 3.29Å; Y49-D418 PolarHBondContact OH-OD2 2.76Å
50	S	62	Low	65.8	Low	35 Å²	35	49 Å²	49	25%	0.245	24%	0.242	C	C	.	.	S	Bend	trans	-71.1	-8.2	-179.4	82.4	0	0	0	0	113.9	E238	S50-E238 PolarHBondContact OG-OE1 3.49Å
51	R	65.5	Low	67.6	Low	22 Å²	22	46.3 Å²	46.3	8%	0.083	23%	0.232	C	C	.	.	S	Bend	trans	-141.1	144.4	-175.1	-55.1	-176.5	-166.4	139.7	13.9	111	Y49 Y53 L54 L55 Y233 N234 E238	Y49-R51 PolarHBondContact O-N 3.23Å; R51-Y53 VanDerWaalsContact C-N 3.32Å; R51-Y53 HydrophobicContact CB-CD1 3.88Å; R51-Y53 HydrophobicContact CB-CE1 3.79Å; R51-Y53 HydrophobicContact CG-CE1 4.2Å; R51-Y53 PolarHBondContact NH1-OH 3.44Å; R51-Y53 PolarHBondContact O-N 2.82Å; R51-L54 PolarHBondContact O-N 2.82Å; R51-L55 PolarHBondContact O-N 3.19Å; R51-Y233 VanDerWaalsContact CZ-CB 3.44Å; R51-Y233 VanDerWaalsContact NE-CD1 3.31Å; R51-N234 PolarHBondContact NH2-O 3.08Å; R51-E238 IonicContact CZ-OE1 3.56Å; R51-E238 IonicContact CZ-OE2 3.21Å; R51-E238 IonicContact NE-OE1 2.66Å; R51-E238 PolarHBondContact NE-OE1 3.21Å; R51-E238 IonicContact NH1-OE1 3.5Å; R51-E238 PolarHBondContact NH1-OE1 3.28Å; R51-E238 IonicContact NH1-OE2 2.83Å; R51-E238 PolarHBondContact NH1-OE2 3.36Å; R51-E238 IonicContact NH2-OE1 3.74Å; R51-E238 PolarHBondContact NH2-OE1 3.07Å; R51-E238 IonicContact NH2-OE2 3.53Å; R51-E238 PolarHBondContact NH2-OE2 3.37Å
52	F	70.2	Confident	69.3	Low	21 Å²	21	44 Å²	44	9%	0.092	22%	0.224	C	C	.	.	H	α-helix	trans	-59.9	-38.2	-177.3	-177.9	-134.6	0	0	0	113.1	L54 L55 I56 Y295 Q296 F299 F430 L434	F52-L54 PolarHBondContact O-N 3.43Å; F52-L55 HydrophobicContact CD2-CD2 4.25Å; F52-L55 HydrophobicContact CE2-CD2 4.35Å; F52-L55 WeakPolarHBondContact O-CB 3.48Å; F52-L55 PolarHBondContact O-N 3.26Å; F52-I56 HydrophobicContact CD1-CD1 3.97Å; F52-I56 HydrophobicContact CD2-CD1 4.33Å; F52-I56 HydrophobicContact CD2-CG1 4.47Å; F52-I56 HydrophobicContact CE1-CD1 3.72Å; F52-I56 HydrophobicContact CE2-CD1 4.08Å; F52-I56 HydrophobicContact CE2-CG1 4.23Å; F52-I56 HydrophobicContact CG-CD1 4.29Å; F52-I56 HydrophobicContact CZ-CD1 3.78Å; F52-I56 HydrophobicContact CZ-CG1 4.36Å; F52-I56 WeakPolarHBondContact O-CG1 3.14Å; F52-I56 PolarHBondContact O-N 2.86Å; F52-I56 VanDerWaalsContact O-N 3.09Å; F52-Y295 HydrophobicContact CZ-CD2 4.38Å; F52-Y295 HydrophobicContact CZ-CG 4.29Å; F52-Q296 HydrophobicContact CB-CG 3.99Å; F52-Q296 HydrophobicContact CD1-CG 4.24Å; F52-F299 HydrophobicContact CB-CD2 3.91Å; F52-F299 HydrophobicContact CB-CE2 3.93Å; F52-F299 HydrophobicContact CB-CG 4.43Å; F52-F299 HydrophobicContact CB-CZ 4.44Å; F52-F299 HydrophobicContact CD2-CD2 4.32Å; F52-F299 AromaticContact CD2-CE2 3.53Å; F52-F299 HydrophobicContact CD2-CE2 3.53Å; F52-F299 AromaticContact CD2-CZ 3.92Å; F52-F299 HydrophobicContact CD2-CZ 3.92Å; F52-F299 HydrophobicContact CE2-CE2 4.44Å; F52-F299 HydrophobicContact CG-CD2 4.48Å; F52-F299 HydrophobicContact CG-CE2 4.11Å; F52-F430 AromaticContact CE2-CE1 3.91Å; F52-F430 HydrophobicContact CE2-CE1 3.91Å; F52-F430 AromaticContact CE2-CZ 3.68Å; F52-F430 HydrophobicContact CE2-CZ 3.68Å; F52-F430 HydrophobicContact CZ-CE1 4.41Å; F52-F430 AromaticContact CZ-CZ 3.86Å; F52-F430 HydrophobicContact CZ-CZ 3.86Å; F52-L434 HydrophobicContact CE1-CD2 4.49Å; F52-L434 HydrophobicContact CE2-CD2 4.49Å; F52-L434 HydrophobicContact CZ-CD2 3.78Å
53	Y	69.7	Low	70.6	Confident	22 Å²	22	40.5 Å²	40.5	9%	0.086	21%	0.208	C	C	.	.	H	α-helix	trans	-67.9	-34.5	-178.6	74.1	-102.2	0	0	0	113.7	R51 L55 I56 E57 Y233 L286	R51-Y53 VanDerWaalsContact C-N 3.32Å; R51-Y53 HydrophobicContact CB-CD1 3.88Å; R51-Y53 HydrophobicContact CB-CE1 3.79Å; R51-Y53 HydrophobicContact CG-CE1 4.2Å; R51-Y53 PolarHBondContact NH1-OH 3.44Å; R51-Y53 PolarHBondContact O-N 2.82Å; Y53-L55 VanDerWaalsContact C-N 3.32Å; Y53-I56 PolarHBondContact O-N 3.1Å; Y53-E57 WeakPolarHBondContact O-CB 3.35Å; Y53-E57 PolarHBondContact O-N 3.16Å; Y53-Y233 HydrophobicContact CE1-CD2 4.38Å; Y53-Y233 HydrophobicContact CE1-CE2 4.09Å; Y53-L286 WeakPolarHBondContact OH-CD2 3.17Å
54	L	70.2	Confident	71.5	Confident	49 Å²	49	38.4 Å²	38.4	26%	0.257	20%	0.197	S	C	.	.	H	α-helix	trans	-67.1	-36.5	176.9	-69.3	175.5	0	0	0	111.2	Y49 R51 F52 E57 Q58 E238	Y49-L54 HydrophobicContact CD1-CB 4.1Å; R51-L54 PolarHBondContact O-N 2.82Å; F52-L54 PolarHBondContact O-N 3.43Å; L54-E57 PolarHBondContact O-N 3.26Å; L54-Q58 VanDerWaalsContact O-CB 3.29Å; L54-Q58 WeakPolarHBondContact O-CB 3.41Å; L54-Q58 PolarHBondContact O-N 3.4Å; L54-E238 VanDerWaalsContact CD1-OE1 3.24Å; L54-E238 WeakPolarHBondContact CD1-OE1 3.46Å
55	L	74.8	Confident	72.2	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.3	-43.5	172.6	171.7	130.3	0	0	0	111.3	I45 Y49 R51 F52 Y53 L59 F299 W427 F431	I45-L55 HydrophobicContact CG2-CD1 3.25Å; Y49-L55 HydrophobicContact CD2-CB 4.26Å; Y49-L55 HydrophobicContact CD2-CD1 4.1Å; Y49-L55 HydrophobicContact CG-CB 3.99Å; R51-L55 PolarHBondContact O-N 3.19Å; F52-L55 HydrophobicContact CD2-CD2 4.25Å; F52-L55 HydrophobicContact CE2-CD2 4.35Å; F52-L55 WeakPolarHBondContact O-CB 3.48Å; F52-L55 PolarHBondContact O-N 3.26Å; Y53-L55 VanDerWaalsContact C-N 3.32Å; L55-L59 HydrophobicContact CD1-CD1 3.95Å; L55-L59 HydrophobicContact CG-CD1 4.01Å; L55-L59 VanDerWaalsContact O-CB 3.3Å; L55-L59 WeakPolarHBondContact O-CB 3.4Å; L55-L59 PolarHBondContact O-N 2.78Å; L55-F299 HydrophobicContact CB-CE1 4.26Å; L55-F299 HydrophobicContact CB-CZ 4.34Å; L55-F299 HydrophobicContact CD1-CE1 4.22Å; L55-F299 HydrophobicContact CD1-CZ 4.08Å; L55-F299 HydrophobicContact CD2-CZ 4.23Å; L55-F299 HydrophobicContact CG-CZ 4.45Å; L55-W427 HydrophobicContact CD1-CH2 4.04Å; L55-W427 HydrophobicContact CD1-CZ3 4.05Å; L55-W427 HydrophobicContact CD2-CZ3 4.05Å; L55-F431 HydrophobicContact CD2-CE1 3.7Å; L55-F431 HydrophobicContact CD2-CZ 3.92Å; L55-F431 HydrophobicContact CG-CE1 4.47Å; L55-F431 HydrophobicContact CG-CZ 4.34Å
56	I	77.1	Confident	72.9	Confident	15 Å²	15	42.7 Å²	42.7	8%	0.077	22%	0.22	C	C	.	.	H	α-helix	trans	-63.4	-48.3	174.8	-63.3	164.8	0	0	0	110.5	F52 Y53 Q58 S60 I63 N64 L434	F52-I56 HydrophobicContact CD1-CD1 3.97Å; F52-I56 HydrophobicContact CD2-CD1 4.33Å; F52-I56 HydrophobicContact CD2-CG1 4.47Å; F52-I56 HydrophobicContact CE1-CD1 3.72Å; F52-I56 HydrophobicContact CE2-CD1 4.08Å; F52-I56 HydrophobicContact CE2-CG1 4.23Å; F52-I56 HydrophobicContact CG-CD1 4.29Å; F52-I56 HydrophobicContact CZ-CD1 3.78Å; F52-I56 HydrophobicContact CZ-CG1 4.36Å; F52-I56 WeakPolarHBondContact O-CG1 3.14Å; F52-I56 PolarHBondContact O-N 2.86Å; F52-I56 VanDerWaalsContact O-N 3.09Å; Y53-I56 PolarHBondContact O-N 3.1Å; I56-Q58 VanDerWaalsContact C-N 3.32Å; I56-Q58 PolarHBondContact O-N 3.49Å; I56-S60 CarbonylContact O-C 3.5Å; I56-S60 VanDerWaalsContact O-CA 3.24Å; I56-S60 WeakPolarHBondContact O-CA 3.39Å; I56-S60 PolarHBondContact O-N 3.39Å; I56-I63 HydrophobicContact CG2-CB 3.85Å; I56-I63 HydrophobicContact CG2-CD1 4.28Å; I56-I63 HydrophobicContact CG2-CG1 4.49Å; I56-I63 HydrophobicContact CG2-CG2 4.21Å; I56-N64 VanDerWaalsContact CG2-OD1 3.26Å; I56-N64 WeakPolarHBondContact CG2-OD1 3.48Å; I56-L434 HydrophobicContact CD1-CD2 3.75Å; I56-L434 HydrophobicContact CG1-CD2 4Å
57	E	76.3	Confident	73.6	Confident	81 Å²	81	43.5 Å²	43.5	38%	0.379	22%	0.224	S	C	.	.	H	α-helix	trans	-61.4	-39.3	-177.2	-174.7	163.8	-146.1	0	0	112.4	Y53 L54 P61	Y53-E57 WeakPolarHBondContact O-CB 3.35Å; Y53-E57 PolarHBondContact O-N 3.16Å; L54-E57 PolarHBondContact O-N 3.26Å; E57-P61 WeakPolarHBondContact O-CB 3.44Å; E57-P61 WeakPolarHBondContact O-CD 3.33Å
58	Q	78.3	Confident	74.5	Confident	130 Å²	130	44.4 Å²	44.4	61%	0.607	22%	0.219	S	C	*	.	H	α-helix	trans	-84.9	-36.5	-178.6	-171.4	63.3	17.9	0	0	114.1	Y49 L54 I56	Y49-Q58 HydrophobicContact CE1-CB 3.71Å; Y49-Q58 HydrophobicContact CE1-CG 3.84Å; Y49-Q58 VanDerWaalsContact OH-CG 3.31Å; Y49-Q58 WeakPolarHBondContact OH-CG 3.28Å; L54-Q58 VanDerWaalsContact O-CB 3.29Å; L54-Q58 WeakPolarHBondContact O-CB 3.41Å; L54-Q58 PolarHBondContact O-N 3.4Å; I56-Q58 VanDerWaalsContact C-N 3.32Å; I56-Q58 PolarHBondContact O-N 3.49Å
59	L	78.1	Confident	75.2	Confident	15 Å²	15	48.8 Å²	48.8	8%	0.079	24%	0.237	C	C	.	.	H	α-helix	trans	-106	-19.3	-172.8	-55.1	177.6	0	0	0	113.7	Y49 L55 D418 V421 L422 F431	Y49-L59 HydrophobicContact CE2-CD1 4Å; Y49-L59 HydrophobicContact CE2-CG 4.46Å; L55-L59 HydrophobicContact CD1-CD1 3.95Å; L55-L59 HydrophobicContact CG-CD1 4.01Å; L55-L59 VanDerWaalsContact O-CB 3.3Å; L55-L59 WeakPolarHBondContact O-CB 3.4Å; L55-L59 PolarHBondContact O-N 2.78Å; L59-D418 HydrophobicContact CD2-CB 3.88Å; L59-V421 HydrophobicContact CD1-CB 4.42Å; L59-V421 HydrophobicContact CD1-CG1 3.7Å; L59-L422 HydrophobicContact CB-CD2 4.23Å; L59-L422 HydrophobicContact CD2-CD1 4.37Å; L59-L422 HydrophobicContact CD2-CD2 4.42Å; L59-L422 HydrophobicContact CD2-CG 4.3Å; L59-L422 WeakPolarHBondContact O-CD2 3.33Å; L59-F431 HydrophobicContact CB-CE1 4.4Å; L59-F431 HydrophobicContact CB-CE2 4.21Å; L59-F431 HydrophobicContact CB-CZ 3.76Å; L59-F431 HydrophobicContact CD1-CZ 4.23Å
60	S	78.8	Confident	76	Confident	18 Å²	18	50.1 Å²	50.1	13%	0.126	25%	0.245	C	C	.	.			trans	-145.3	56.7	175.4	-147.9	0	0	0	0	112.8	I56 I62 I63	I56-S60 CarbonylContact O-C 3.5Å; I56-S60 VanDerWaalsContact O-CA 3.24Å; I56-S60 WeakPolarHBondContact O-CA 3.39Å; I56-S60 PolarHBondContact O-N 3.39Å; S60-I62 PolarHBondContact O-N 3.38Å; S60-I63 PolarHBondContact O-N 2.95Å
61	P	78.3	Confident	77.1	Confident	56 Å²	56	48.5 Å²	48.5	36%	0.364	23%	0.233	S	C	.	.	H	α-helix	trans	-57.8	-17.3	179.1	22.1	-33.2	0	0	0	113.2	E57 I63 N64 N65	E57-P61 WeakPolarHBondContact O-CB 3.44Å; E57-P61 WeakPolarHBondContact O-CD 3.33Å; P61-I63 PolarHBondContact O-N 3.08Å; P61-N64 PolarHBondContact O-N 2.87Å; P61-N65 WeakPolarHBondContact O-CB 3.47Å; P61-N65 PolarHBondContact O-N 3.27Å; P61-N65 PolarHBondContact O-ND2 3.45Å
62	I	79.2	Confident	78	Confident	112 Å²	112	50.5 Å²	50.5	57%	0.574	25%	0.25	S	C	*	.	H	α-helix	trans	-53.7	-37.7	170.6	-60.2	175.8	0	0	0	111.1	S60 N65 L66	S60-I62 PolarHBondContact O-N 3.38Å; I62-N65 PolarHBondContact O-N 3.48Å; I62-L66 HydrophobicContact CG2-CD1 3.87Å; I62-L66 HydrophobicContact CG2-CG 4.14Å; I62-L66 WeakPolarHBondContact O-CB 3.34Å; I62-L66 WeakPolarHBondContact O-CG 3.44Å; I62-L66 PolarHBondContact O-N 3.44Å
63	I	78.1	Confident	78.9	Confident	7 Å²	7	55.4 Å²	55.4	4%	0.036	28%	0.276	C	S	.	.	H	α-helix	trans	-66.2	-52.7	-177.3	-57.5	-178	0	0	0	110.6	I56 S60 P61 N65 L66 D67 L434 V438	I56-I63 HydrophobicContact CG2-CB 3.85Å; I56-I63 HydrophobicContact CG2-CD1 4.28Å; I56-I63 HydrophobicContact CG2-CG1 4.49Å; I56-I63 HydrophobicContact CG2-CG2 4.21Å; S60-I63 PolarHBondContact O-N 2.95Å; P61-I63 PolarHBondContact O-N 3.08Å; I63-N65 VanDerWaalsContact C-N 3.27Å; I63-N65 PolarHBondContact O-N 3.08Å; I63-L66 PolarHBondContact O-N 3.44Å; I63-D67 PolarHBondContact O-N 3.03Å; I63-L434 HydrophobicContact CD1-CB 3.92Å; I63-L434 HydrophobicContact CD1-CD2 3.79Å; I63-L434 HydrophobicContact CD1-CG 3.89Å; I63-L434 HydrophobicContact CG2-CG 4.47Å; I63-V438 HydrophobicContact CG2-CG2 3.98Å
64	N	73.4	Confident	80	Confident	37 Å²	37	54.9 Å²	54.9	20%	0.198	27%	0.274	C	S	.	.	H	α-helix	trans	-64.1	-32.9	177.1	-62.2	1.2	0	0	0	111.7	I56 P61 R68	I56-N64 VanDerWaalsContact CG2-OD1 3.26Å; I56-N64 WeakPolarHBondContact CG2-OD1 3.48Å; P61-N64 PolarHBondContact O-N 2.87Å; N64-R68 WeakPolarHBondContact O-CB 3.49Å; N64-R68 VanDerWaalsContact O-CG 3.22Å; N64-R68 WeakPolarHBondContact O-CG 3.45Å; N64-R68 PolarHBondContact O-N 3.41Å
65	N	80.8	Confident	80.9	Confident	63 Å²	63	53.1 Å²	53.1	34%	0.337	26%	0.264	S	S	.	.	H	α-helix	trans	-72.1	-39.5	175.7	-77.5	-53.6	0	0	0	112.8	P61 I62 I63 D67 R68 Y69	P61-N65 WeakPolarHBondContact O-CB 3.47Å; P61-N65 PolarHBondContact O-N 3.27Å; P61-N65 PolarHBondContact O-ND2 3.45Å; I62-N65 PolarHBondContact O-N 3.48Å; I63-N65 VanDerWaalsContact C-N 3.27Å; I63-N65 PolarHBondContact O-N 3.08Å; N65-D67 VanDerWaalsContact C-N 3.29Å; N65-D67 PolarHBondContact O-N 3.12Å; N65-R68 PolarHBondContact O-N 2.92Å; N65-Y69 HydrophobicContact CB-CD2 4.12Å; N65-Y69 HydrophobicContact CB-CE2 4.11Å; N65-Y69 WeakPolarHBondContact O-CB 3.44Å; N65-Y69 WeakPolarHBondContact O-CD2 3.44Å; N65-Y69 PolarHBondContact O-N 2.93Å
66	L	79.6	Confident	81.7	Confident	42 Å²	42	56.2 Å²	56.2	22%	0.22	29%	0.285	C	S	.	.	H	α-helix	trans	-56.1	-48.7	174.6	-78.4	164.8	0	0	0	109.8	I62 I63 Y69 I70 I439	I62-L66 HydrophobicContact CG2-CD1 3.87Å; I62-L66 HydrophobicContact CG2-CG 4.14Å; I62-L66 WeakPolarHBondContact O-CB 3.34Å; I62-L66 WeakPolarHBondContact O-CG 3.44Å; I62-L66 PolarHBondContact O-N 3.44Å; I63-L66 PolarHBondContact O-N 3.44Å; L66-Y69 PolarHBondContact O-N 3.38Å; L66-I70 HydrophobicContact CB-CD1 4.13Å; L66-I70 HydrophobicContact CD2-CD1 3.75Å; L66-I70 WeakPolarHBondContact O-CB 3.4Å; L66-I70 WeakPolarHBondContact O-CG1 3.32Å; L66-I70 PolarHBondContact O-N 3.24Å; L66-I439 HydrophobicContact CD1-CD1 4.04Å; L66-I439 HydrophobicContact CD1-CG1 4.24Å; L66-I439 HydrophobicContact CD2-CD1 4.47Å
67	D	76.3	Confident	82.5	Confident	33 Å²	33	61.2 Å²	61.2	18%	0.176	31%	0.306	C	S	.	.	H	α-helix	trans	-61	-52.7	177.3	-151.2	27.7	0	0	0	111.4	I63 N65 Y69 S71 P140 V438	I63-D67 PolarHBondContact O-N 3.03Å; N65-D67 VanDerWaalsContact C-N 3.29Å; N65-D67 PolarHBondContact O-N 3.12Å; D67-Y69 PolarHBondContact O-N 3.5Å; D67-Y69 VanDerWaalsContact O-N 3.12Å; D67-S71 PolarHBondContact O-OG 2.75Å; D67-P140 HydrophobicContact CB-CB 4.17Å; D67-P140 HydrophobicContact CB-CG 4.41Å; D67-P140 WeakPolarHBondContact OD2-CB 3.44Å; D67-P140 VanDerWaalsContact OD2-CD 3.31Å; D67-P140 WeakPolarHBondContact OD2-CD 3.36Å; D67-P140 WeakPolarHBondContact OD2-CG 3.29Å; D67-V438 HydrophobicContact CB-CG1 4.38Å
68	R	79.9	Confident	83.2	Confident	76 Å²	76	57.4 Å²	57.4	29%	0.287	29%	0.288	S	S	.	.	H	α-helix	trans	-59.3	-24.3	178	-76	176.3	175.9	165.6	2.9	115	N64 N65 P72 P140	N64-R68 WeakPolarHBondContact O-CB 3.49Å; N64-R68 VanDerWaalsContact O-CG 3.22Å; N64-R68 WeakPolarHBondContact O-CG 3.45Å; N64-R68 PolarHBondContact O-N 3.41Å; N65-R68 PolarHBondContact O-N 2.92Å; R68-P72 WeakPolarHBondContact O-CG 3.43Å; R68-P140 HydrophobicContact CG-CB 3.75Å; R68-P140 PolarHBondContact NE-O 3.4Å; R68-P140 PolarHBondContact NH2-O 3.17Å
69	Y	84.2	Confident	84	Confident	167 Å²	167	53.1 Å²	53.1	66%	0.655	27%	0.269	S	S	*	.	H	α-helix	trans	-109.3	-26.9	-177.4	-67.5	-58.1	0	0	0	115	N65 L66 D67 L73	N65-Y69 HydrophobicContact CB-CD2 4.12Å; N65-Y69 HydrophobicContact CB-CE2 4.11Å; N65-Y69 WeakPolarHBondContact O-CB 3.44Å; N65-Y69 WeakPolarHBondContact O-CD2 3.44Å; N65-Y69 PolarHBondContact O-N 2.93Å; L66-Y69 PolarHBondContact O-N 3.38Å; D67-Y69 PolarHBondContact O-N 3.5Å; D67-Y69 VanDerWaalsContact O-N 3.12Å; Y69-L73 WeakPolarHBondContact O-CB 3.14Å
70	I	85.1	Confident	84.7	Confident	51 Å²	51	57 Å²	57	26%	0.262	29%	0.289	S	S	.	.	H	α-helix	trans	-77.9	-52.6	-178.1	-69.5	170.6	0	0	0	110.7	L66 L73 W74 E442	L66-I70 HydrophobicContact CB-CD1 4.13Å; L66-I70 HydrophobicContact CD2-CD1 3.75Å; L66-I70 WeakPolarHBondContact O-CB 3.4Å; L66-I70 WeakPolarHBondContact O-CG1 3.32Å; L66-I70 PolarHBondContact O-N 3.24Å; I70-L73 WeakPolarHBondContact O-CB 3.23Å; I70-L73 PolarHBondContact O-N 2.92Å; I70-W74 PolarHBondContact O-N 2.67Å; I70-E442 HydrophobicContact CG2-CB 3.86Å; I70-E442 HydrophobicContact CG2-CG 4.05Å
71	S	84.4	Confident	85.4	Confident	1 Å²	1	57 Å²	57	1%	0.007	29%	0.288	C	S	.	.	H	α-helix	trans	-59.7	-48.7	-174.6	-30	0	0	0	0	111.9	D67 L73 W74 L75 D136 E442	D67-S71 PolarHBondContact O-OG 2.75Å; S71-L73 PolarHBondContact O-N 3.2Å; S71-L73 VanDerWaalsContact O-N 3.15Å; S71-W74 PolarHBondContact O-N 3.48Å; S71-L75 WeakPolarHBondContact O-CB 3.31Å; S71-L75 PolarHBondContact O-N 2.92Å; S71-D136 WeakPolarHBondContact CB-OD2 3.49Å; S71-D136 PolarHBondContact OG-OD2 2.89Å; S71-E442 PolarHBondContact OG-OE2 3.21Å
72	P	86.4	Confident	86.1	Confident	65 Å²	65	54.4 Å²	54.4	42%	0.422	27%	0.27	S	S	.	.	H	α-helix	trans	-64	-20.3	176.8	-24.1	37.3	0	0	0	114.8	R68 P76	R68-P72 WeakPolarHBondContact O-CG 3.43Å; P72-P76 WeakPolarHBondContact O-CD 3.26Å; P72-P76 WeakPolarHBondContact O-CG 3.48Å
73	L	89.1	Confident	86.8	Confident	124 Å²	124	52.7 Å²	52.7	65%	0.649	26%	0.262	S	S	*	.	H	α-helix	trans	-76.3	-42.4	178.7	179.3	65.8	0	0	0	112.3	Y69 I70 S71 F77	Y69-L73 WeakPolarHBondContact O-CB 3.14Å; I70-L73 WeakPolarHBondContact O-CB 3.23Å; I70-L73 PolarHBondContact O-N 2.92Å; S71-L73 PolarHBondContact O-N 3.2Å; S71-L73 VanDerWaalsContact O-N 3.15Å; L73-F77 VanDerWaalsContact O-CD2 3.28Å; L73-F77 WeakPolarHBondContact O-CD2 3.14Å; L73-F77 WeakPolarHBondContact O-CE2 3.33Å
74	W	90.9	Very high	87.5	Confident	11 Å²	11	54.7 Å²	54.7	4%	0.042	27%	0.272	C	S	.	.	H	α-helix	trans	-97.8	-31.3	-174.9	75.6	-103	0	0	0	113.5	I70 S71 F77 G78 V132 E442 N445 F446 A448 V449	I70-W74 PolarHBondContact O-N 2.67Å; S71-W74 PolarHBondContact O-N 3.48Å; W74-F77 WeakPolarHBondContact O-CB 3.19Å; W74-F77 PolarHBondContact O-N 2.96Å; W74-F77 VanDerWaalsContact O-N 3.11Å; W74-G78 PolarHBondContact O-N 3.32Å; W74-V132 HydrophobicContact CZ2-CG1 4.28Å; W74-E442 PolarHBondContact NE1-OE2 3.34Å; W74-N445 HydrophobicContact CH2-CB 3.67Å; W74-N445 HydrophobicContact CZ2-CB 3.46Å; W74-N445 VanDerWaalsContact CZ2-CB 3.46Å; W74-F446 HydrophobicContact CB-CD2 3.77Å; W74-F446 HydrophobicContact CB-CE2 3.98Å; W74-F446 HydrophobicContact CG-CD2 4.01Å; W74-A448 HydrophobicContact CZ3-CB 4.21Å; W74-V449 HydrophobicContact CB-CG2 3.91Å; W74-V449 HydrophobicContact CD2-CG2 4.36Å; W74-V449 HydrophobicContact CE3-CG2 3.71Å; W74-V449 HydrophobicContact CG-CG2 4.47Å; W74-V449 WeakPolarHBondContact O-CG2 3.37Å
75	L	90.4	Very high	88.4	Confident	11 Å²	11	53 Å²	53	6%	0.058	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-38.8	-169.8	-161.9	156.4	0	0	0	114.1	S71 F77 G78 I79 C129 V132 I133	S71-L75 WeakPolarHBondContact O-CB 3.31Å; S71-L75 PolarHBondContact O-N 2.92Å; L75-F77 VanDerWaalsContact C-N 3.31Å; L75-F77 PolarHBondContact O-N 3.33Å; L75-G78 WeakPolarHBondContact O-CA 3.45Å; L75-G78 PolarHBondContact O-N 3.39Å; L75-G78 VanDerWaalsContact O-N 3.1Å; L75-I79 HydrophobicContact CD2-CD1 3.5Å; L75-I79 VanDerWaalsContact CD2-CD1 3.5Å; L75-I79 HydrophobicContact CD2-CG1 3.94Å; L75-I79 PolarHBondContact O-N 3.48Å; L75-C129 HydrophobicContact CD2-CB 4.29Å; L75-C129 HydrophobicContact CG-CB 4.32Å; L75-V132 HydrophobicContact CD1-CB 4.04Å; L75-V132 HydrophobicContact CD1-CG1 3.6Å; L75-I133 HydrophobicContact CD1-CG1 3.8Å; L75-I133 HydrophobicContact CD2-CD1 3.54Å; L75-I133 HydrophobicContact CD2-CG1 3.51Å; L75-I133 HydrophobicContact CG-CG1 4.33Å
76	P	91.9	Very high	89	Confident	65 Å²	65	51.5 Å²	51.5	42%	0.422	26%	0.255	S	S	.	.	H	α-helix	trans	-58.6	-40.7	173.1	-25.4	35.6	0	0	0	112.9	P72 I80	P72-P76 WeakPolarHBondContact O-CD 3.26Å; P72-P76 WeakPolarHBondContact O-CG 3.48Å; P76-I80 WeakPolarHBondContact O-CD1 3.45Å; P76-I80 VanDerWaalsContact O-CG1 3.28Å; P76-I80 WeakPolarHBondContact O-CG1 3.4Å; P76-I80 PolarHBondContact O-N 3.31Å; P76-I80 VanDerWaalsContact O-N 3.12Å
77	F	92.9	Very high	89.5	Confident	121 Å²	121	53.5 Å²	53.5	53%	0.531	27%	0.265	S	S	.	.	H	α-helix	trans	-68.6	-39.1	174.3	-59.7	-81	0	0	0	111.3	L73 W74 L75 I80 N81 V449	L73-F77 VanDerWaalsContact O-CD2 3.28Å; L73-F77 WeakPolarHBondContact O-CD2 3.14Å; L73-F77 WeakPolarHBondContact O-CE2 3.33Å; W74-F77 WeakPolarHBondContact O-CB 3.19Å; W74-F77 PolarHBondContact O-N 2.96Å; W74-F77 VanDerWaalsContact O-N 3.11Å; L75-F77 VanDerWaalsContact C-N 3.31Å; L75-F77 PolarHBondContact O-N 3.33Å; F77-I80 PolarHBondContact O-N 3.11Å; F77-N81 WeakPolarHBondContact O-CB 3.29Å; F77-N81 PolarHBondContact O-N 3.28Å; F77-N81 PolarHBondContact O-ND2 3.4Å; F77-N81 PolarHBondContact O-OD1 2.9Å; F77-V449 HydrophobicContact CB-CG1 4.03Å; F77-V449 HydrophobicContact CB-CG2 4.34Å
78	G	91.5	Very high	90	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-56.9	-49.4	175.1	0	0	0	0	0	112.4	W74 L75 N81 C82	W74-G78 PolarHBondContact O-N 3.32Å; L75-G78 WeakPolarHBondContact O-CA 3.45Å; L75-G78 PolarHBondContact O-N 3.39Å; L75-G78 VanDerWaalsContact O-N 3.1Å; G78-N81 PolarHBondContact O-N 3.48Å; G78-C82 WeakPolarHBondContact O-CB 3.12Å; G78-C82 PolarHBondContact O-N 2.92Å; G78-C82 PolarHBondContact O-SG 3.04Å
79	I	94.2	Very high	90.3	Very high	41 Å²	41	48.4 Å²	48.4	21%	0.21	24%	0.243	C	C	.	.	H	α-helix	trans	-61.8	-51.3	177.3	-71.7	-178.9	0	0	0	111.3	L75 N81 C82 I83 L126 C129 I133	L75-I79 HydrophobicContact CD2-CD1 3.5Å; L75-I79 VanDerWaalsContact CD2-CD1 3.5Å; L75-I79 HydrophobicContact CD2-CG1 3.94Å; L75-I79 PolarHBondContact O-N 3.48Å; I79-N81 VanDerWaalsContact C-N 3.3Å; I79-N81 PolarHBondContact O-N 3.39Å; I79-C82 PolarHBondContact O-N 2.88Å; I79-I83 HydrophobicContact CG2-CD1 3.63Å; I79-I83 HydrophobicContact CG2-CG1 4.4Å; I79-I83 WeakPolarHBondContact O-CG1 3.45Å; I79-I83 PolarHBondContact O-N 2.95Å; I79-L126 HydrophobicContact CB-CD1 4.46Å; I79-L126 HydrophobicContact CG1-CD1 4.28Å; I79-L126 HydrophobicContact CG2-CD1 4.13Å; I79-C129 HydrophobicContact CD1-CB 4.24Å; I79-C129 HydrophobicContact CG1-CB 3.61Å; I79-I133 HydrophobicContact CD1-CD1 3.7Å
80	I	93.6	Very high	90.5	Very high	95 Å²	95	43.2 Å²	43.2	49%	0.487	23%	0.231	S	C	.	.	H	α-helix	trans	-59.4	-43.5	-179.4	-69.1	167.4	0	0	0	110.6	P76 F77 I83 L84	P76-I80 WeakPolarHBondContact O-CD1 3.45Å; P76-I80 VanDerWaalsContact O-CG1 3.28Å; P76-I80 WeakPolarHBondContact O-CG1 3.4Å; P76-I80 PolarHBondContact O-N 3.31Å; P76-I80 VanDerWaalsContact O-N 3.12Å; F77-I80 PolarHBondContact O-N 3.11Å; I80-I83 PolarHBondContact O-N 3.09Å; I80-L84 HydrophobicContact CG2-CD1 3.84Å; I80-L84 WeakPolarHBondContact O-CB 3.23Å; I80-L84 VanDerWaalsContact O-CG 3.29Å; I80-L84 WeakPolarHBondContact O-CG 3.33Å; I80-L84 PolarHBondContact O-N 3.05Å
81	N	93.2	Very high	90.3	Very high	20 Å²	20	43 Å²	43	11%	0.107	23%	0.231	C	C	.	.	H	α-helix	trans	-66.1	-42.6	179.9	-70.8	-1.9	0	0	0	111.8	F77 G78 I79 L84 C85 V449 L452	F77-N81 WeakPolarHBondContact O-CB 3.29Å; F77-N81 PolarHBondContact O-N 3.28Å; F77-N81 PolarHBondContact O-ND2 3.4Å; F77-N81 PolarHBondContact O-OD1 2.9Å; G78-N81 PolarHBondContact O-N 3.48Å; I79-N81 VanDerWaalsContact C-N 3.3Å; I79-N81 PolarHBondContact O-N 3.39Å; N81-L84 PolarHBondContact O-N 3.32Å; N81-C85 PolarHBondContact O-N 3.38Å; N81-C85 PolarHBondContact O-SG 2.77Å; N81-C85 VanDerWaalsContact O-SG 3.33Å; N81-V449 PolarHBondContact ND2-O 3.4Å; N81-L452 HydrophobicContact CB-CB 3.6Å; N81-L452 HydrophobicContact CB-CD2 4.24Å; N81-L452 VanDerWaalsContact OD1-CD2 3.27Å; N81-L452 WeakPolarHBondContact OD1-CD2 3.4Å
82	C	93.5	Very high	89.5	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.1	-43.7	176	-65.8	0	0	0	0	112	G78 I79 L84 C85 I86 L126	G78-C82 WeakPolarHBondContact O-CB 3.12Å; G78-C82 PolarHBondContact O-N 2.92Å; G78-C82 PolarHBondContact O-SG 3.04Å; I79-C82 PolarHBondContact O-N 2.88Å; C82-L84 PolarHBondContact O-N 3.46Å; C82-C85 PolarHBondContact O-N 3.15Å; C82-I86 WeakPolarHBondContact O-CB 3.38Å; C82-I86 WeakPolarHBondContact O-CD1 3.46Å; C82-I86 WeakPolarHBondContact O-CG1 3.49Å; C82-I86 PolarHBondContact O-N 2.89Å; C82-L126 HydrophobicContact CB-CB 3.95Å; C82-L126 HydrophobicContact CB-CD1 4.35Å
83	I	93.9	Very high	88.5	Confident	76 Å²	76	49.3 Å²	49.3	39%	0.39	26%	0.262	S	S	.	.	H	α-helix	trans	-59.9	-45.2	176.2	-69.9	170.2	0	0	0	111	I79 I80 I86 I87 L126	I79-I83 HydrophobicContact CG2-CD1 3.63Å; I79-I83 HydrophobicContact CG2-CG1 4.4Å; I79-I83 WeakPolarHBondContact O-CG1 3.45Å; I79-I83 PolarHBondContact O-N 2.95Å; I80-I83 PolarHBondContact O-N 3.09Å; I83-I86 PolarHBondContact O-N 3.16Å; I83-I87 HydrophobicContact CG2-CD1 3.82Å; I83-I87 VanDerWaalsContact O-CG1 3.3Å; I83-I87 WeakPolarHBondContact O-CG1 3.32Å; I83-I87 PolarHBondContact O-N 3.34Å; I83-L126 HydrophobicContact CG1-CD1 4.19Å; I83-L126 HydrophobicContact CG1-CD2 4.25Å
84	L	92.8	Very high	87.3	Confident	50 Å²	50	43.8 Å²	43.8	26%	0.262	23%	0.233	S	C	.	.	H	α-helix	trans	-62.3	-43.3	177.1	-73	167.5	0	0	0	112.2	I80 N81 C82 I87 I88 L452 F466	I80-L84 HydrophobicContact CG2-CD1 3.84Å; I80-L84 WeakPolarHBondContact O-CB 3.23Å; I80-L84 VanDerWaalsContact O-CG 3.29Å; I80-L84 WeakPolarHBondContact O-CG 3.33Å; I80-L84 PolarHBondContact O-N 3.05Å; N81-L84 PolarHBondContact O-N 3.32Å; C82-L84 PolarHBondContact O-N 3.46Å; L84-I87 PolarHBondContact O-N 2.68Å; L84-I88 WeakPolarHBondContact O-CD1 3.45Å; L84-I88 VanDerWaalsContact O-CG1 3.32Å; L84-I88 WeakPolarHBondContact O-CG1 3.44Å; L84-I88 PolarHBondContact O-N 2.89Å; L84-I88 VanDerWaalsContact O-N 3.09Å; L84-L452 HydrophobicContact CB-CD1 4.28Å; L84-L452 HydrophobicContact CB-CD2 4.39Å; L84-L452 HydrophobicContact CD1-CD2 3.76Å; L84-F466 HydrophobicContact CD1-CE2 4.37Å
85	C	91.6	Very high	85.8	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.2	-45.7	173.6	-72.2	0	0	0	0	112	N81 C82 I87 I88 Y89 S122 L451	N81-C85 PolarHBondContact O-N 3.38Å; N81-C85 PolarHBondContact O-SG 2.77Å; N81-C85 VanDerWaalsContact O-SG 3.33Å; C82-C85 PolarHBondContact O-N 3.15Å; C85-I87 PolarHBondContact O-N 3.07Å; C85-I88 PolarHBondContact O-N 2.93Å; C85-Y89 HydrophobicContact CB-CD2 4.1Å; C85-Y89 HydrophobicContact CB-CE2 3.93Å; C85-Y89 WeakPolarHBondContact O-CB 3.47Å; C85-Y89 WeakPolarHBondContact O-CD2 3.45Å; C85-Y89 PolarHBondContact O-N 3.07Å; C85-S122 WeakPolarHBondContact CB-OG 3.36Å; C85-L451 HydrophobicContact CB-CD2 4.44Å
86	I	92.7	Very high	84.4	Confident	32 Å²	32	53.4 Å²	53.4	16%	0.164	27%	0.272	C	S	.	.	H	α-helix	trans	-58.4	-46.3	177.3	-69.6	163.7	0	0	0	110.9	C82 I83 I88 S90 L119 I123 L126	C82-I86 WeakPolarHBondContact O-CB 3.38Å; C82-I86 WeakPolarHBondContact O-CD1 3.46Å; C82-I86 WeakPolarHBondContact O-CG1 3.49Å; C82-I86 PolarHBondContact O-N 2.89Å; I83-I86 PolarHBondContact O-N 3.16Å; I86-I88 VanDerWaalsContact C-N 3.34Å; I86-I88 PolarHBondContact O-N 3.36Å; I86-S90 WeakPolarHBondContact O-CB 3.26Å; I86-S90 PolarHBondContact O-N 2.94Å; I86-S90 PolarHBondContact O-OG 3.45Å; I86-L119 HydrophobicContact CB-CD1 4.43Å; I86-L119 HydrophobicContact CG1-CD1 4.5Å; I86-L119 HydrophobicContact CG2-CD1 4.13Å; I86-I123 HydrophobicContact CD1-CG1 3.98Å; I86-I123 HydrophobicContact CG1-CG1 3.98Å; I86-L126 HydrophobicContact CD1-CB 4.07Å; I86-L126 HydrophobicContact CD1-CD2 3.64Å
87	I	91	Very high	82.7	Confident	85 Å²	85	52.3 Å²	52.3	44%	0.436	27%	0.266	S	S	.	.	H	α-helix	trans	-59.8	-44.5	177.8	-69.3	165.3	0	0	0	110.9	I83 L84 C85 N91 L469	I83-I87 HydrophobicContact CG2-CD1 3.82Å; I83-I87 VanDerWaalsContact O-CG1 3.3Å; I83-I87 WeakPolarHBondContact O-CG1 3.32Å; I83-I87 PolarHBondContact O-N 3.34Å; L84-I87 PolarHBondContact O-N 2.68Å; C85-I87 PolarHBondContact O-N 3.07Å; I87-N91 PolarHBondContact O-N 2.87Å; I87-N91 VanDerWaalsContact O-N 3.16Å; I87-L469 HydrophobicContact CG2-CD1 4.02Å
88	I	87.7	Confident	80.8	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-70.4	-43.3	-177.5	-67.5	163.4	0	0	0	112	L84 C85 I86 N91 F462 N465 F466 L469	L84-I88 WeakPolarHBondContact O-CD1 3.45Å; L84-I88 VanDerWaalsContact O-CG1 3.32Å; L84-I88 WeakPolarHBondContact O-CG1 3.44Å; L84-I88 PolarHBondContact O-N 2.89Å; L84-I88 VanDerWaalsContact O-N 3.09Å; C85-I88 PolarHBondContact O-N 2.93Å; I86-I88 VanDerWaalsContact C-N 3.34Å; I86-I88 PolarHBondContact O-N 3.36Å; I88-N91 PolarHBondContact O-N 3.27Å; I88-F462 HydrophobicContact CB-CD2 4.28Å; I88-F462 HydrophobicContact CB-CE2 3.82Å; I88-F462 HydrophobicContact CB-CZ 4.3Å; I88-F462 HydrophobicContact CD1-CD1 4.47Å; I88-F462 HydrophobicContact CD1-CE1 3.77Å; I88-F462 HydrophobicContact CD1-CE2 3.86Å; I88-F462 HydrophobicContact CD1-CZ 3.43Å; I88-F462 VanDerWaalsContact CD1-CZ 3.43Å; I88-F462 HydrophobicContact CG1-CE2 4.45Å; I88-F462 HydrophobicContact CG1-CZ 4.45Å; I88-F462 HydrophobicContact CG2-CD2 3.51Å; I88-F462 HydrophobicContact CG2-CE2 3.59Å; I88-F462 HydrophobicContact CG2-CG 4.2Å; I88-F462 HydrophobicContact CG2-CZ 4.3Å; I88-N465 HydrophobicContact CG2-CB 4.02Å; I88-F466 HydrophobicContact CD1-CB 3.98Å; I88-F466 HydrophobicContact CD1-CD2 4Å; I88-F466 HydrophobicContact CD1-CG 4.5Å; I88-L469 HydrophobicContact CD1-CD1 4.11Å; I88-L469 HydrophobicContact CG1-CD1 3.51Å
89	Y	86.4	Confident	78.9	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-77.8	-20.9	179.9	-61.5	-44.8	0	0	0	113.9	C85 W94 R95 L118 S122 C455 F462	C85-Y89 HydrophobicContact CB-CD2 4.1Å; C85-Y89 HydrophobicContact CB-CE2 3.93Å; C85-Y89 WeakPolarHBondContact O-CB 3.47Å; C85-Y89 WeakPolarHBondContact O-CD2 3.45Å; C85-Y89 PolarHBondContact O-N 3.07Å; Y89-W94 HydrophobicContact CD1-CD2 4.42Å; Y89-W94 AromaticContact CD1-CE3 3.71Å; Y89-W94 HydrophobicContact CD1-CE3 3.71Å; Y89-W94 AromaticContact CD1-CH2 3.7Å; Y89-W94 HydrophobicContact CD1-CH2 3.7Å; Y89-W94 HydrophobicContact CD1-CZ2 4.41Å; Y89-W94 AromaticContact CD1-CZ3 3.28Å; Y89-W94 HydrophobicContact CD1-CZ3 3.28Å; Y89-W94 HydrophobicContact CE1-CE3 4.4Å; Y89-W94 AromaticContact CE1-CH2 3.6Å; Y89-W94 HydrophobicContact CE1-CH2 3.6Å; Y89-W94 HydrophobicContact CE1-CZ2 4.16Å; Y89-W94 AromaticContact CE1-CZ3 3.72Å; Y89-W94 HydrophobicContact CE1-CZ3 3.72Å; Y89-W94 HydrophobicContact CG-CZ3 4.32Å; Y89-R95 PolarHBondContact O-NH2 3.16Å; Y89-L118 HydrophobicContact CD1-CB 4.42Å; Y89-L118 HydrophobicContact CD2-CB 4.16Å; Y89-L118 HydrophobicContact CE1-CB 4.11Å; Y89-L118 HydrophobicContact CE1-CD1 4.12Å; Y89-L118 HydrophobicContact CE2-CB 3.88Å; Y89-L118 HydrophobicContact CG-CB 4.41Å; Y89-S122 WeakPolarHBondContact CD2-OG 3.41Å; Y89-S122 WeakPolarHBondContact CE2-OG 3.27Å; Y89-C455 PolarHBondContact OH-SG 3.47Å; Y89-F462 HydrophobicContact CD1-CD2 4.24Å; Y89-F462 HydrophobicContact CD1-CE2 4.35Å; Y89-F462 AromaticContact CE1-CD2 3.54Å; Y89-F462 HydrophobicContact CE1-CD2 3.54Å; Y89-F462 AromaticContact CE1-CE2 3.81Å; Y89-F462 HydrophobicContact CE1-CE2 3.81Å; Y89-F462 HydrophobicContact CE2-CE2 4.11Å; Y89-F462 AromaticContact CZ-CD2 3.77Å; Y89-F462 AromaticContact CZ-CE2 3.68Å
90	S	86.4	Confident	76.7	Confident	58 Å²	58	59.8 Å²	59.8	41%	0.406	30%	0.299	S	S	.	.	H	α-helix	trans	-76.5	-28.3	169	-60.2	0	0	0	0	112.3	I86 S92 L119	I86-S90 WeakPolarHBondContact O-CB 3.26Å; I86-S90 PolarHBondContact O-N 2.94Å; I86-S90 PolarHBondContact O-OG 3.45Å; S90-S92 PolarHBondContact O-N 3.24Å; S90-S92 VanDerWaalsContact O-N 3.07Å; S90-L119 WeakPolarHBondContact OG-CD1 3.13Å
91	N	81.8	Confident	74.5	Confident	48 Å²	48	60 Å²	60	26%	0.257	30%	0.302	S	S	.	.			trans	-63.9	112.6	-177.5	-174.2	-6.2	0	0	0	111.7	I87 I88 Q93 W94	I87-N91 PolarHBondContact O-N 2.87Å; I87-N91 VanDerWaalsContact O-N 3.16Å; I88-N91 PolarHBondContact O-N 3.27Å; N91-Q93 PolarHBondContact O-N 2.69Å; N91-Q93 VanDerWaalsContact OD1-CB 3.29Å; N91-Q93 WeakPolarHBondContact OD1-CB 3.35Å; N91-Q93 WeakPolarHBondContact OD1-CG 3.27Å; N91-Q93 PolarHBondContact OD1-N 2.88Å; N91-W94 WeakPolarHBondContact O-CB 3.23Å; N91-W94 PolarHBondContact O-N 3.08Å
92	S	67.5	Low	72.2	Confident	67 Å²	67	60.2 Å²	60.2	47%	0.469	30%	0.304	S	S	.	.	H	α-helix	trans	-54.3	-26.5	176.3	-171.7	0	0	0	0	113.2	S90 W94 R95 K96	S90-S92 PolarHBondContact O-N 3.24Å; S90-S92 VanDerWaalsContact O-N 3.07Å; S92-W94 VanDerWaalsContact C-N 3.29Å; S92-W94 PolarHBondContact O-N 3.01Å; S92-R95 PolarHBondContact O-N 3.49Å; S92-K96 WeakPolarHBondContact O-CB 3.33Å; S92-K96 WeakPolarHBondContact O-CG 3.2Å; S92-K96 PolarHBondContact O-N 3.23Å
93	Q	65.8	Low	69.6	Low	131 Å²	131	66.7 Å²	66.7	61%	0.612	34%	0.339	S	S	*	.	H	α-helix	trans	-62.4	-31.2	173.8	-65.5	-178	-15.1	0	0	113.3	N91 K96 S97	N91-Q93 PolarHBondContact O-N 2.69Å; N91-Q93 VanDerWaalsContact OD1-CB 3.29Å; N91-Q93 WeakPolarHBondContact OD1-CB 3.35Å; N91-Q93 WeakPolarHBondContact OD1-CG 3.27Å; N91-Q93 PolarHBondContact OD1-N 2.88Å; Q93-K96 PolarHBondContact O-N 3.12Å; Q93-S97 WeakPolarHBondContact O-CB 3.37Å; Q93-S97 PolarHBondContact O-N 3.44Å
94	W	62.9	Low	67.2	Low	8 Å²	8	70.3 Å²	70.3	3%	0.03	36%	0.358	C	S	.	.	H	α-helix	trans	-65.8	-49.8	173.4	-166.6	48.8	0	0	0	110.7	Y89 N91 S92 K96 S97 L98 S115 L118 N465	Y89-W94 HydrophobicContact CD1-CD2 4.42Å; Y89-W94 AromaticContact CD1-CE3 3.71Å; Y89-W94 HydrophobicContact CD1-CE3 3.71Å; Y89-W94 AromaticContact CD1-CH2 3.7Å; Y89-W94 HydrophobicContact CD1-CH2 3.7Å; Y89-W94 HydrophobicContact CD1-CZ2 4.41Å; Y89-W94 AromaticContact CD1-CZ3 3.28Å; Y89-W94 HydrophobicContact CD1-CZ3 3.28Å; Y89-W94 HydrophobicContact CE1-CE3 4.4Å; Y89-W94 AromaticContact CE1-CH2 3.6Å; Y89-W94 HydrophobicContact CE1-CH2 3.6Å; Y89-W94 HydrophobicContact CE1-CZ2 4.16Å; Y89-W94 AromaticContact CE1-CZ3 3.72Å; Y89-W94 HydrophobicContact CE1-CZ3 3.72Å; Y89-W94 HydrophobicContact CG-CZ3 4.32Å; N91-W94 WeakPolarHBondContact O-CB 3.23Å; N91-W94 PolarHBondContact O-N 3.08Å; S92-W94 VanDerWaalsContact C-N 3.29Å; S92-W94 PolarHBondContact O-N 3.01Å; W94-K96 PolarHBondContact O-N 3.39Å; W94-S97 PolarHBondContact O-N 2.97Å; W94-S97 VanDerWaalsContact O-N 3.1Å; W94-L98 HydrophobicContact CD2-CD1 3.94Å; W94-L98 HydrophobicContact CE3-CD1 4.3Å; W94-L98 HydrophobicContact CG-CD1 4.35Å; W94-L98 HydrophobicContact CH2-CD1 4.46Å; W94-L98 HydrophobicContact CZ2-CD1 4.11Å; W94-L98 WeakPolarHBondContact O-CG 3.35Å; W94-L98 PolarHBondContact O-N 3.36Å; W94-L98 VanDerWaalsContact O-N 3.08Å; W94-S115 VanDerWaalsContact CZ3-CB 3.44Å; W94-S115 WeakPolarHBondContact CZ3-OG 3.29Å; W94-L118 HydrophobicContact CH2-CD1 4.07Å; W94-N465 WeakPolarHBondContact CB-ND2 3.43Å
95	R	60.9	Low	64.5	Low	86 Å²	86	71.5 Å²	71.5	33%	0.325	36%	0.364	S	S	.	.	H	α-helix	trans	-60.1	-32.7	176.2	-55.4	-175.4	-169.1	173.7	7.9	112.3	Y89 S92 K99 S115	Y89-R95 PolarHBondContact O-NH2 3.16Å; S92-R95 PolarHBondContact O-N 3.49Å; R95-K99 WeakPolarHBondContact O-CG 3.15Å; R95-K99 PolarHBondContact O-N 3.21Å; R95-S115 PolarHBondContact NE-OG 2.97Å
96	K	60.4	Low	61.7	Low	138 Å²	138	80.2 Å²	80.2	60%	0.6	41%	0.407	S	S	*	.	H	α-helix	trans	-75.2	-39.9	172.9	-73	-178.4	178.3	-172.8	0	112.9	S92 Q93 W94 L98 K99 H100	S92-K96 WeakPolarHBondContact O-CB 3.33Å; S92-K96 WeakPolarHBondContact O-CG 3.2Å; S92-K96 PolarHBondContact O-N 3.23Å; Q93-K96 PolarHBondContact O-N 3.12Å; W94-K96 PolarHBondContact O-N 3.39Å; K96-L98 VanDerWaalsContact C-N 3.32Å; K96-L98 PolarHBondContact O-N 3.2Å; K96-K99 PolarHBondContact O-N 2.93Å; K96-K99 VanDerWaalsContact O-N 3.16Å; K96-H100 WeakPolarHBondContact O-CB 3.47Å; K96-H100 PolarHBondContact O-N 3.25Å
97	S	55.8	Low	59.5	Low	41 Å²	41	82.1 Å²	82.1	29%	0.287	42%	0.417	S	S	.	.	H	α-helix	trans	-60.6	-42.4	177.4	-171.4	0	0	0	0	111.8	Q93 W94 K99 H100 N101	Q93-S97 WeakPolarHBondContact O-CB 3.37Å; Q93-S97 PolarHBondContact O-N 3.44Å; W94-S97 PolarHBondContact O-N 2.97Å; W94-S97 VanDerWaalsContact O-N 3.1Å; S97-K99 PolarHBondContact O-N 3.48Å; S97-H100 PolarHBondContact O-N 3.08Å; S97-N101 PolarHBondContact O-N 2.94Å; S97-N101 PolarHBondContact O-ND2 3.38Å
98	L	53.9	Low	57.6	Low	19 Å²	19	81.6 Å²	81.6	10%	0.099	42%	0.419	C	S	.	.	H	α-helix	trans	-62.1	-39.6	174.3	-67.3	162.7	0	0	0	112.1	W94 K96 S102 Y111 E381	W94-L98 HydrophobicContact CD2-CD1 3.94Å; W94-L98 HydrophobicContact CE3-CD1 4.3Å; W94-L98 HydrophobicContact CG-CD1 4.35Å; W94-L98 HydrophobicContact CH2-CD1 4.46Å; W94-L98 HydrophobicContact CZ2-CD1 4.11Å; W94-L98 WeakPolarHBondContact O-CG 3.35Å; W94-L98 PolarHBondContact O-N 3.36Å; W94-L98 VanDerWaalsContact O-N 3.08Å; K96-L98 VanDerWaalsContact C-N 3.32Å; K96-L98 PolarHBondContact O-N 3.2Å; L98-S102 PolarHBondContact O-OG 2.89Å; L98-Y111 HydrophobicContact CD2-CD1 3.72Å; L98-Y111 HydrophobicContact CD2-CE1 4.07Å; L98-Y111 HydrophobicContact CD2-CG 4.11Å; L98-E381 VanDerWaalsContact CD2-OE1 3.26Å; L98-E381 WeakPolarHBondContact CD2-OE1 3.02Å
99	K	51.7	Low	55.8	Low	155 Å²	155	88.9 Å²	88.9	67%	0.674	45%	0.448	S	S	*	.	H	α-helix	trans	-72.1	-39.7	174.5	-76.6	-172.8	173.8	-164.6	0	113.9	R95 K96 S97 N101 S102	R95-K99 WeakPolarHBondContact O-CG 3.15Å; R95-K99 PolarHBondContact O-N 3.21Å; K96-K99 PolarHBondContact O-N 2.93Å; K96-K99 VanDerWaalsContact O-N 3.16Å; S97-K99 PolarHBondContact O-N 3.48Å; K99-N101 PolarHBondContact O-N 3.41Å; K99-S102 WeakPolarHBondContact CA-OG 3.25Å; K99-S102 PolarHBondContact O-N 2.89Å; K99-S102 PolarHBondContact O-OG 2.81Å
100	H	47	Very low	54.5	Low	145 Å²	145	89 Å²	89	67%	0.671	45%	0.449	S	S	*	.	H	α-helix	trans	-75.5	-29.8	-169.3	-134.5	-28	0	0	0	113.1	K96 S97	K96-H100 WeakPolarHBondContact O-CB 3.47Å; K96-H100 PolarHBondContact O-N 3.25Å; S97-H100 PolarHBondContact O-N 3.08Å
101	N	47.3	Very low	53.5	Low	101 Å²	101	88.9 Å²	88.9	54%	0.54	44%	0.44	S	S	.	.	H	α-helix	trans	-80.2	-17.2	175.3	-69	-84.6	0	0	0	113.2	S97 K99	S97-N101 PolarHBondContact O-N 2.94Å; S97-N101 PolarHBondContact O-ND2 3.38Å; K99-N101 PolarHBondContact O-N 3.41Å
102	S	45.5	Very low	53.1	Low	23 Å²	23	88.1 Å²	88.1	16%	0.161	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-83.4	-5.8	-179.2	34.7	0	0	0	0	114.2	L98 K99 L104 L105	L98-S102 PolarHBondContact O-OG 2.89Å; K99-S102 WeakPolarHBondContact CA-OG 3.25Å; K99-S102 PolarHBondContact O-N 2.89Å; K99-S102 PolarHBondContact O-OG 2.81Å; S102-L104 PolarHBondContact O-N 2.74Å; S102-L105 PolarHBondContact O-N 2.92Å; S102-L105 VanDerWaalsContact O-N 3.13Å
103	N	39.3	Very low	53.7	Low	136 Å²	136	85 Å²	85	73%	0.727	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-60.8	-7.8	172.5	-76.2	9.7	0	0	0	114.7
104	L	41.9	Very low	54.6	Low	152 Å²	152	79.5 Å²	79.5	80%	0.796	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-113.1	5.1	179	-101.6	162.6	0	0	0	114.2	S102	S102-L104 PolarHBondContact O-N 2.74Å
105	L	37.1	Very low	55.6	Low	75 Å²	75	79.2 Å²	79.2	39%	0.393	40%	0.395	S	S	.	.	S	Bend	trans	-153	127.6	179.2	-115.1	154.3	0	0	0	111.6	S102 I107 I374	S102-L105 PolarHBondContact O-N 2.92Å; S102-L105 VanDerWaalsContact O-N 3.13Å; L105-I107 PolarHBondContact O-N 3.48Å; L105-I374 HydrophobicContact CD1-CB 4.38Å; L105-I374 HydrophobicContact CD1-CD1 4.49Å; L105-I374 HydrophobicContact CD1-CG2 3.67Å
106	M	33.4	Very low	56.9	Low	183 Å²	183	75.7 Å²	75.7	90%	0.901	38%	0.383	S	S	*	.	S	Bend	trans	-71.5	43	-166.8	-66.2	176.6	61.4	0	0	116.5
107	I	45.7	Very low	58.4	Low	73 Å²	73	69.1 Å²	69.1	37%	0.374	35%	0.354	S	S	.	.			trans	-136.1	71	166.2	-42.7	174	0	0	0	111.1	L105 Y109	L105-I107 PolarHBondContact O-N 3.48Å; I107-Y109 PolarHBondContact O-N 3.43Å
108	P	50.2	Low	60.1	Low	73 Å²	73	67.2 Å²	67.2	47%	0.474	34%	0.341	S	S	.	.			trans	-76.6	-1	171.4	32.9	-35.6	0	0	0	113.4
109	Y	51.5	Low	61.9	Low	154 Å²	154	67.5 Å²	67.5	60%	0.604	34%	0.342	S	S	*	.	S	Bend	trans	-103	98.6	-174.1	-54.6	-76.2	0	0	0	111.1	I107 L181	I107-Y109 PolarHBondContact O-N 3.43Å; Y109-L181 WeakPolarHBondContact O-CD2 3.23Å
110	G	57.6	Low	63.9	Low	3 Å²	3	61.6 Å²	61.6	3%	0.031	32%	0.318	C	S	.	.	S	Bend	trans	167.1	-56.9	174.2	0	0	0	0	0	113.4	G112 S113 G201	G110-G112 PolarHBondContact O-N 2.75Å; G110-S113 PolarHBondContact O-N 3.02Å; G110-S113 PolarHBondContact O-OG 3.07Å; G110-G201 VanDerWaalsContact CA-CA 3.43Å
111	Y	66.9	Low	66.2	Low	56 Å²	56	54.7 Å²	54.7	22%	0.22	29%	0.286	C	S	.	.	H	α-helix	trans	-59.8	-23.1	-171.4	-70.3	-77.2	0	0	0	116.4	L98 L114 S115 N378 E381	L98-Y111 HydrophobicContact CD2-CD1 3.72Å; L98-Y111 HydrophobicContact CD2-CE1 4.07Å; L98-Y111 HydrophobicContact CD2-CG 4.11Å; Y111-L114 HydrophobicContact CD1-CD1 4.49Å; Y111-S115 WeakPolarHBondContact O-CB 3.34Å; Y111-S115 PolarHBondContact O-N 2.87Å; Y111-S115 VanDerWaalsContact O-N 3.12Å; Y111-N378 VanDerWaalsContact OH-CG 3.3Å; Y111-N378 PolarHBondContact OH-ND2 3.38Å; Y111-N378 VanDerWaalsContact OH-ND2 3.08Å; Y111-E381 HydrophobicContact CE1-CB 4.5Å; Y111-E381 WeakPolarHBondContact CE1-OE2 3.46Å; Y111-E381 VanDerWaalsContact CZ-OE2 3.27Å; Y111-E381 PolarHBondContact OH-OE2 2.91Å
112	G	72.6	Confident	68.4	Low	32 Å²	32	49.9 Å²	49.9	33%	0.33	26%	0.26	S	S	.	.	H	α-helix	trans	-68.8	-32.9	180	0	0	0	0	0	114.4	G110 I116	G110-G112 PolarHBondContact O-N 2.75Å; G112-I116 WeakPolarHBondContact O-CD1 3.34Å; G112-I116 WeakPolarHBondContact O-CG1 3.48Å
113	S	81.2	Confident	70.8	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-85.6	-42.8	176.7	38.7	0	0	0	0	112	G110 S115 I116 Y117 E177 G201 S206	G110-S113 PolarHBondContact O-N 3.02Å; G110-S113 PolarHBondContact O-OG 3.07Å; S113-S115 PolarHBondContact O-N 3.3Å; S113-I116 WeakPolarHBondContact O-CA 3.27Å; S113-I116 PolarHBondContact O-N 3.48Å; S113-Y117 VanDerWaalsContact O-CD2 3.27Å; S113-Y117 WeakPolarHBondContact O-CD2 3.36Å; S113-Y117 PolarHBondContact O-N 3.42Å; S113-E177 WeakPolarHBondContact CB-OE1 3.08Å; S113-E177 VanDerWaalsContact CB-OE2 3.23Å; S113-E177 WeakPolarHBondContact CB-OE2 3.21Å; S113-E177 PolarHBondContact OG-OE1 3.33Å; S113-E177 PolarHBondContact OG-OE2 3.25Å; S113-G201 WeakPolarHBondContact OG-CA 3.47Å; S113-G201 PolarHBondContact OG-N 3.48Å; S113-S206 VanDerWaalsContact CB-CB 3.4Å; S113-S206 PolarHBondContact O-OG 3.26Å
114	L	83.9	Confident	73.5	Confident	17 Å²	17	46.6 Å²	46.6	9%	0.089	24%	0.24	C	C	.	.	H	α-helix	trans	-51.9	-43.1	171.8	-62.4	177.9	0	0	0	111.6	Y111 I116 Y117 L118 L174 E177 L181 I385	Y111-L114 HydrophobicContact CD1-CD1 4.49Å; L114-I116 PolarHBondContact O-N 3.16Å; L114-Y117 PolarHBondContact O-N 2.87Å; L114-L118 WeakPolarHBondContact O-CB 3.4Å; L114-L118 WeakPolarHBondContact O-CG 2.99Å; L114-L118 PolarHBondContact O-N 3.04Å; L114-L174 HydrophobicContact CB-CD1 4.42Å; L114-L174 HydrophobicContact CD2-CD1 3.71Å; L114-E177 HydrophobicContact CD2-CB 4.28Å; L114-E177 HydrophobicContact CD2-CG 4.01Å; L114-L181 HydrophobicContact CD1-CD1 3.78Å; L114-L181 HydrophobicContact CD2-CD1 4.38Å; L114-L181 HydrophobicContact CG-CD1 4.16Å; L114-I385 HydrophobicContact CD1-CD1 4.27Å; L114-I385 HydrophobicContact CD2-CD1 4.15Å
115	S	83.9	Confident	76	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.007	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-27.2	175.6	169.9	0	0	0	0	114.4	W94 R95 Y111 S113 L119	W94-S115 VanDerWaalsContact CZ3-CB 3.44Å; W94-S115 WeakPolarHBondContact CZ3-OG 3.29Å; R95-S115 PolarHBondContact NE-OG 2.97Å; Y111-S115 WeakPolarHBondContact O-CB 3.34Å; Y111-S115 PolarHBondContact O-N 2.87Å; Y111-S115 VanDerWaalsContact O-N 3.12Å; S113-S115 PolarHBondContact O-N 3.3Å; S115-L119 WeakPolarHBondContact O-CB 3.3Å; S115-L119 PolarHBondContact O-N 2.9Å
116	I	88.5	Confident	78.8	Confident	12 Å²	12	37.6 Å²	37.6	6%	0.062	19%	0.193	C	C	.	.	H	α-helix	trans	-88.4	-41.9	-178.2	-72.9	171.1	0	0	0	110.1	G112 S113 L114 L118 L119 I120 H203 I207	G112-I116 WeakPolarHBondContact O-CD1 3.34Å; G112-I116 WeakPolarHBondContact O-CG1 3.48Å; S113-I116 WeakPolarHBondContact O-CA 3.27Å; S113-I116 PolarHBondContact O-N 3.48Å; L114-I116 PolarHBondContact O-N 3.16Å; I116-L118 VanDerWaalsContact C-N 3.33Å; I116-L118 PolarHBondContact O-N 3.26Å; I116-L119 PolarHBondContact O-N 3.45Å; I116-I120 HydrophobicContact CG2-CD1 3.7Å; I116-I120 HydrophobicContact CG2-CG1 4.41Å; I116-I120 WeakPolarHBondContact O-CB 3.49Å; I116-I120 VanDerWaalsContact O-CG1 3.32Å; I116-I120 WeakPolarHBondContact O-CG1 3.33Å; I116-I120 PolarHBondContact O-N 2.95Å; I116-H203 HydrophobicContact CD1-CB 3.57Å; I116-I207 HydrophobicContact CD1-CD1 4.18Å; I116-I207 HydrophobicContact CD1-CG1 4.13Å; I116-I207 HydrophobicContact CG2-CG1 3.92Å
117	Y	91.1	Very high	81.8	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.5	-41.3	172.6	-67.9	-56.2	0	0	0	111.8	S113 L114 I120 L121 I170 T173 E177 A199 S206 I209 S210	S113-Y117 VanDerWaalsContact O-CD2 3.27Å; S113-Y117 WeakPolarHBondContact O-CD2 3.36Å; S113-Y117 PolarHBondContact O-N 3.42Å; L114-Y117 PolarHBondContact O-N 2.87Å; Y117-I120 PolarHBondContact O-N 3.29Å; Y117-L121 WeakPolarHBondContact O-CB 3.32Å; Y117-L121 PolarHBondContact O-N 3.41Å; Y117-I170 HydrophobicContact CD1-CD1 4.25Å; Y117-T173 HydrophobicContact CD1-CG2 4.45Å; Y117-T173 HydrophobicContact CE1-CG2 3.71Å; Y117-T173 HydrophobicContact CE2-CG2 4.17Å; Y117-T173 WeakPolarHBondContact OH-CG2 3.45Å; Y117-E177 WeakPolarHBondContact CD2-OE2 3.19Å; Y117-E177 VanDerWaalsContact CE2-OE2 3.23Å; Y117-E177 WeakPolarHBondContact CE2-OE2 3.42Å; Y117-A199 HydrophobicContact CE2-CB 4.42Å; Y117-S206 WeakPolarHBondContact CE2-OG 3.4Å; Y117-I209 HydrophobicContact CE1-CG2 4.33Å; Y117-I209 WeakPolarHBondContact OH-CD1 3.33Å; Y117-I209 WeakPolarHBondContact OH-CG2 3.36Å; Y117-S210 WeakPolarHBondContact CD1-OG 3.29Å; Y117-S210 WeakPolarHBondContact CE1-OG 3.47Å
118	L	91.2	Very high	84.1	Confident	2 Å²	2	28.3 Å²	28.3	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-65.8	-38	174.3	-74.7	167.5	0	0	0	113.4	Y89 W94 L114 I116 S122 L174 I388	Y89-L118 HydrophobicContact CD1-CB 4.42Å; Y89-L118 HydrophobicContact CD2-CB 4.16Å; Y89-L118 HydrophobicContact CE1-CB 4.11Å; Y89-L118 HydrophobicContact CE1-CD1 4.12Å; Y89-L118 HydrophobicContact CE2-CB 3.88Å; Y89-L118 HydrophobicContact CG-CB 4.41Å; W94-L118 HydrophobicContact CH2-CD1 4.07Å; L114-L118 WeakPolarHBondContact O-CB 3.4Å; L114-L118 WeakPolarHBondContact O-CG 2.99Å; L114-L118 PolarHBondContact O-N 3.04Å; I116-L118 VanDerWaalsContact C-N 3.33Å; I116-L118 PolarHBondContact O-N 3.26Å; L118-S122 WeakPolarHBondContact O-CB 3.44Å; L118-S122 PolarHBondContact O-N 3.06Å; L118-S122 PolarHBondContact O-OG 2.82Å; L118-L174 HydrophobicContact CD2-CD2 3.75Å; L118-L174 HydrophobicContact CG-CD1 4.17Å; L118-L174 HydrophobicContact CG-CD2 4.17Å; L118-I388 HydrophobicContact CD2-CD1 3.97Å
119	L	92.6	Very high	86.1	Confident	24 Å²	24	24.8 Å²	24.8	13%	0.126	13%	0.127	C	C	.	.	H	α-helix	trans	-63.8	-48.6	173.5	176.4	57	0	0	0	111.2	I86 S90 S115 I116 S122 I123	I86-L119 HydrophobicContact CB-CD1 4.43Å; I86-L119 HydrophobicContact CG1-CD1 4.5Å; I86-L119 HydrophobicContact CG2-CD1 4.13Å; S90-L119 WeakPolarHBondContact OG-CD1 3.13Å; S115-L119 WeakPolarHBondContact O-CB 3.3Å; S115-L119 PolarHBondContact O-N 2.9Å; I116-L119 PolarHBondContact O-N 3.45Å; L119-S122 WeakPolarHBondContact O-CB 3.49Å; L119-S122 PolarHBondContact O-N 3.32Å; L119-I123 HydrophobicContact CD1-CD1 4.11Å; L119-I123 HydrophobicContact CD1-CG1 4.43Å; L119-I123 HydrophobicContact CG-CD1 4.08Å; L119-I123 WeakPolarHBondContact O-CG1 3.37Å; L119-I123 PolarHBondContact O-N 2.86Å
120	I	93.9	Very high	88.1	Confident	32 Å²	32	21.2 Å²	21.2	16%	0.164	12%	0.117	C	C	.	.	H	α-helix	trans	-64.3	-43.8	179.7	-69.4	171.6	0	0	0	110.4	I116 Y117 S122 I123 L124 I170 S210	I116-I120 HydrophobicContact CG2-CD1 3.7Å; I116-I120 HydrophobicContact CG2-CG1 4.41Å; I116-I120 WeakPolarHBondContact O-CB 3.49Å; I116-I120 VanDerWaalsContact O-CG1 3.32Å; I116-I120 WeakPolarHBondContact O-CG1 3.33Å; I116-I120 PolarHBondContact O-N 2.95Å; Y117-I120 PolarHBondContact O-N 3.29Å; I120-S122 VanDerWaalsContact C-N 3.27Å; I120-S122 PolarHBondContact O-N 3.49Å; I120-I123 PolarHBondContact O-N 3.44Å; I120-I123 VanDerWaalsContact O-N 3.11Å; I120-L124 HydrophobicContact CG2-CD1 3.87Å; I120-L124 HydrophobicContact CG2-CG 4.25Å; I120-L124 VanDerWaalsContact O-CG 3.3Å; I120-L124 WeakPolarHBondContact O-CG 3.45Å; I120-L124 PolarHBondContact O-N 3.05Å; I120-I170 HydrophobicContact CG2-CD1 4.29Å; I120-I170 HydrophobicContact CG2-CG1 4.42Å; I120-S210 VanDerWaalsContact CD1-CB 3.48Å; I120-S210 WeakPolarHBondContact CD1-OG 3.48Å
121	L	94.5	Very high	89.8	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-56.5	-40.8	173.7	-175.5	63.5	0	0	0	111.9	Y117 L124 H125 I167 I170 L174 I388	Y117-L121 WeakPolarHBondContact O-CB 3.32Å; Y117-L121 PolarHBondContact O-N 3.41Å; L121-L124 PolarHBondContact O-N 3.43Å; L121-H125 PolarHBondContact O-CD2 3.12Å; L121-H125 PolarHBondContact O-N 3.43Å; L121-I167 HydrophobicContact CD1-CB 4.5Å; L121-I167 HydrophobicContact CD1-CG2 3.73Å; L121-I170 HydrophobicContact CB-CG2 4.06Å; L121-I170 HydrophobicContact CD1-CG2 4.35Å; L121-L174 HydrophobicContact CD2-CD2 4.45Å; L121-I388 HydrophobicContact CD2-CG2 4.1Å
122	S	94.1	Very high	90.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.9	-37.2	176.4	-53.4	0	0	0	0	112.6	C85 Y89 L118 L119 I120 L126	C85-S122 WeakPolarHBondContact CB-OG 3.36Å; Y89-S122 WeakPolarHBondContact CD2-OG 3.41Å; Y89-S122 WeakPolarHBondContact CE2-OG 3.27Å; L118-S122 WeakPolarHBondContact O-CB 3.44Å; L118-S122 PolarHBondContact O-N 3.06Å; L118-S122 PolarHBondContact O-OG 2.82Å; L119-S122 WeakPolarHBondContact O-CB 3.49Å; L119-S122 PolarHBondContact O-N 3.32Å; I120-S122 VanDerWaalsContact C-N 3.27Å; I120-S122 PolarHBondContact O-N 3.49Å; S122-L126 PolarHBondContact O-N 3.36Å
123	I	95.9	Very high	91.7	Very high	74 Å²	74	20.3 Å²	20.3	38%	0.379	11%	0.107	S	C	.	.	H	α-helix	trans	-66.7	-45	174.4	-67	166	0	0	0	110.6	I86 L119 I120 H125 L126 V127	I86-I123 HydrophobicContact CD1-CG1 3.98Å; I86-I123 HydrophobicContact CG1-CG1 3.98Å; L119-I123 HydrophobicContact CD1-CD1 4.11Å; L119-I123 HydrophobicContact CD1-CG1 4.43Å; L119-I123 HydrophobicContact CG-CD1 4.08Å; L119-I123 WeakPolarHBondContact O-CG1 3.37Å; L119-I123 PolarHBondContact O-N 2.86Å; I120-I123 PolarHBondContact O-N 3.44Å; I120-I123 VanDerWaalsContact O-N 3.11Å; I123-H125 VanDerWaalsContact C-N 3.35Å; I123-H125 PolarHBondContact O-N 3.09Å; I123-L126 WeakPolarHBondContact O-CB 3.49Å; I123-L126 PolarHBondContact O-N 3.21Å; I123-L126 VanDerWaalsContact O-N 3.15Å; I123-V127 WeakPolarHBondContact O-CG2 3.18Å; I123-V127 PolarHBondContact O-N 3.39Å
124	L	96.2	Very high	92.1	Very high	15 Å²	15	22.4 Å²	22.4	8%	0.079	12%	0.118	C	C	.	.	H	α-helix	trans	-66.9	-35	179.4	-63.1	171.2	0	0	0	112.2	I120 L121 V127 Q128 N163 A166 I167 I170 L214	I120-L124 HydrophobicContact CG2-CD1 3.87Å; I120-L124 HydrophobicContact CG2-CG 4.25Å; I120-L124 VanDerWaalsContact O-CG 3.3Å; I120-L124 WeakPolarHBondContact O-CG 3.45Å; I120-L124 PolarHBondContact O-N 3.05Å; L121-L124 PolarHBondContact O-N 3.43Å; L124-V127 PolarHBondContact O-N 2.98Å; L124-Q128 WeakPolarHBondContact O-CB 3.45Å; L124-Q128 PolarHBondContact O-N 2.96Å; L124-N163 VanDerWaalsContact CD2-OD1 3.25Å; L124-N163 WeakPolarHBondContact CD2-OD1 3.14Å; L124-N163 PolarHBondContact O-ND2 2.98Å; L124-N163 PolarHBondContact O-OD1 2.83Å; L124-A166 HydrophobicContact CD1-CB 4.17Å; L124-I167 HydrophobicContact CB-CD1 4.22Å; L124-I167 HydrophobicContact CB-CG1 3.53Å; L124-I167 HydrophobicContact CD1-CG1 4.38Å; L124-I170 HydrophobicContact CD1-CG1 4.04Å; L124-L214 HydrophobicContact CD1-CD2 4.13Å; L124-L214 HydrophobicContact CD2-CD2 3.58Å; L124-L214 HydrophobicContact CG-CD2 4.47Å
125	H	94.8	Very high	92.1	Very high	3 Å²	3	22.5 Å²	22.5	1%	0.014	12%	0.118	C	C	.	.	H	α-helix	trans	-67.8	-35.2	170.2	-88.6	-73.1	0	0	0	113	L121 I123 Q128 C129 I167 Q392 A448	L121-H125 PolarHBondContact O-CD2 3.12Å; L121-H125 PolarHBondContact O-N 3.43Å; I123-H125 VanDerWaalsContact C-N 3.35Å; I123-H125 PolarHBondContact O-N 3.09Å; H125-Q128 WeakPolarHBondContact O-CB 3.44Å; H125-Q128 PolarHBondContact O-N 2.89Å; H125-C129 PolarHBondContact O-N 3.35Å; H125-C129 PolarHBondContact O-SG 2.86Å; H125-I167 WeakPolarHBondContact NE2-CG2 3.45Å; H125-Q392 PolarHBondContact CE1-NE2 3.05Å; H125-Q392 PolarHBondContact NE2-NE2 2.81Å; H125-A448 HydrophobicContact CB-CB 4.37Å
126	L	95.6	Very high	92.1	Very high	36 Å²	36	23.3 Å²	23.3	19%	0.188	12%	0.122	C	C	.	.	H	α-helix	trans	-64.6	-43.5	171.3	-178	61.5	0	0	0	111.6	I79 C82 I83 I86 S122 I123 Q128 C129 I130	I79-L126 HydrophobicContact CB-CD1 4.46Å; I79-L126 HydrophobicContact CG1-CD1 4.28Å; I79-L126 HydrophobicContact CG2-CD1 4.13Å; C82-L126 HydrophobicContact CB-CB 3.95Å; C82-L126 HydrophobicContact CB-CD1 4.35Å; I83-L126 HydrophobicContact CG1-CD1 4.19Å; I83-L126 HydrophobicContact CG1-CD2 4.25Å; I86-L126 HydrophobicContact CD1-CB 4.07Å; I86-L126 HydrophobicContact CD1-CD2 3.64Å; S122-L126 PolarHBondContact O-N 3.36Å; I123-L126 WeakPolarHBondContact O-CB 3.49Å; I123-L126 PolarHBondContact O-N 3.21Å; I123-L126 VanDerWaalsContact O-N 3.15Å; L126-Q128 VanDerWaalsContact C-N 3.28Å; L126-Q128 PolarHBondContact O-N 2.82Å; L126-C129 PolarHBondContact O-N 2.83Å; L126-I130 HydrophobicContact CG-CD1 4.24Å; L126-I130 WeakPolarHBondContact O-CG1 3.07Å; L126-I130 PolarHBondContact O-N 3.32Å; L126-I130 VanDerWaalsContact O-N 3.08Å
127	V	95.4	Very high	91.7	Very high	56 Å²	56	25.7 Å²	25.7	34%	0.339	14%	0.135	S	C	.	.	H	α-helix	trans	-61.2	-37.6	173.2	171.6	0	0	0	0	111	I123 L124 I130 L131	I123-V127 WeakPolarHBondContact O-CG2 3.18Å; I123-V127 PolarHBondContact O-N 3.39Å; L124-V127 PolarHBondContact O-N 2.98Å; V127-I130 PolarHBondContact O-N 3.43Å; V127-L131 HydrophobicContact CG1-CD1 3.71Å; V127-L131 HydrophobicContact CG1-CG 4.27Å; V127-L131 WeakPolarHBondContact O-CB 3.25Å; V127-L131 WeakPolarHBondContact O-CG 3.3Å; V127-L131 PolarHBondContact O-N 2.7Å
128	Q	94.3	Very high	90.9	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.019	14%	0.136	C	C	.	.	H	α-helix	trans	-60.9	-47.1	174.6	-170.2	62.5	17.8	0	0	111.4	L124 H125 L126 I130 L131 V132 N163 I167 N445	L124-Q128 WeakPolarHBondContact O-CB 3.45Å; L124-Q128 PolarHBondContact O-N 2.96Å; H125-Q128 WeakPolarHBondContact O-CB 3.44Å; H125-Q128 PolarHBondContact O-N 2.89Å; L126-Q128 VanDerWaalsContact C-N 3.28Å; L126-Q128 PolarHBondContact O-N 2.82Å; Q128-I130 VanDerWaalsContact C-N 3.3Å; Q128-I130 PolarHBondContact O-N 3.04Å; Q128-L131 PolarHBondContact O-N 3.22Å; Q128-V132 HydrophobicContact CG-CG2 4.48Å; Q128-V132 WeakPolarHBondContact O-CB 3.49Å; Q128-V132 VanDerWaalsContact O-CG2 3.27Å; Q128-V132 WeakPolarHBondContact O-CG2 3.48Å; Q128-V132 PolarHBondContact O-N 3.2Å; Q128-N163 WeakPolarHBondContact CA-ND2 3.21Å; Q128-N163 WeakPolarHBondContact CB-ND2 3.5Å; Q128-N163 PolarHBondContact N-ND2 3.22Å; Q128-N163 PolarHBondContact OE1-ND2 2.79Å; Q128-I167 HydrophobicContact CB-CD1 4.12Å; Q128-I167 HydrophobicContact CG-CD1 4.49Å; Q128-N445 PolarHBondContact NE2-OD1 3.37Å
129	C	93.3	Very high	89.9	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.9	-37.8	176.5	-66.7	0	0	0	0	112.5	L75 I79 H125 L126 I133	L75-C129 HydrophobicContact CD2-CB 4.29Å; L75-C129 HydrophobicContact CG-CB 4.32Å; I79-C129 HydrophobicContact CD1-CB 4.24Å; I79-C129 HydrophobicContact CG1-CB 3.61Å; H125-C129 PolarHBondContact O-N 3.35Å; H125-C129 PolarHBondContact O-SG 2.86Å; L126-C129 PolarHBondContact O-N 2.83Å; C129-I133 WeakPolarHBondContact O-CG1 3.28Å; C129-I133 PolarHBondContact O-N 2.97Å
130	I	93.4	Very high	88.6	Confident	78 Å²	78	27.6 Å²	27.6	40%	0.4	15%	0.148	S	C	.	.	H	α-helix	trans	-68.5	-43.8	177.4	-66.2	164.3	0	0	0	111.1	L126 V127 Q128 V132 I133 I134	L126-I130 HydrophobicContact CG-CD1 4.24Å; L126-I130 WeakPolarHBondContact O-CG1 3.07Å; L126-I130 PolarHBondContact O-N 3.32Å; L126-I130 VanDerWaalsContact O-N 3.08Å; V127-I130 PolarHBondContact O-N 3.43Å; Q128-I130 VanDerWaalsContact C-N 3.3Å; Q128-I130 PolarHBondContact O-N 3.04Å; I130-V132 VanDerWaalsContact C-N 3.33Å; I130-I133 PolarHBondContact O-N 3.16Å; I130-I134 HydrophobicContact CG2-CD1 3.96Å; I130-I134 WeakPolarHBondContact O-CG1 3.34Å; I130-I134 PolarHBondContact O-N 3.17Å; I130-I134 VanDerWaalsContact O-N 3.08Å
131	L	92.4	Very high	87.4	Confident	9 Å²	9	32.7 Å²	32.7	5%	0.047	17%	0.165	C	C	.	.	H	α-helix	trans	-66.9	-34.9	177.2	-69.8	167.5	0	0	0	112.1	V127 Q128 I134 I135 I156 L159 N163	V127-L131 HydrophobicContact CG1-CD1 3.71Å; V127-L131 HydrophobicContact CG1-CG 4.27Å; V127-L131 WeakPolarHBondContact O-CB 3.25Å; V127-L131 WeakPolarHBondContact O-CG 3.3Å; V127-L131 PolarHBondContact O-N 2.7Å; Q128-L131 PolarHBondContact O-N 3.22Å; L131-I134 PolarHBondContact O-N 3.44Å; L131-I135 WeakPolarHBondContact O-CG1 3.34Å; L131-I135 PolarHBondContact O-N 3.39Å; L131-I156 HydrophobicContact CD2-CD1 4.12Å; L131-I156 HydrophobicContact CD2-CG2 4.35Å; L131-L159 HydrophobicContact CD1-CB 4.1Å; L131-L159 HydrophobicContact CD2-CB 4.04Å; L131-L159 HydrophobicContact CD2-CD1 4.49Å; L131-N163 HydrophobicContact CD1-CB 4.15Å
132	V	90.2	Very high	86.2	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-64.4	-48.1	171.6	172	0	0	0	0	110.6	W74 L75 Q128 I130 I134 I135 D136	W74-V132 HydrophobicContact CZ2-CG1 4.28Å; L75-V132 HydrophobicContact CD1-CB 4.04Å; L75-V132 HydrophobicContact CD1-CG1 3.6Å; Q128-V132 HydrophobicContact CG-CG2 4.48Å; Q128-V132 WeakPolarHBondContact O-CB 3.49Å; Q128-V132 VanDerWaalsContact O-CG2 3.27Å; Q128-V132 WeakPolarHBondContact O-CG2 3.48Å; Q128-V132 PolarHBondContact O-N 3.2Å; I130-V132 VanDerWaalsContact C-N 3.33Å; V132-I134 PolarHBondContact O-N 2.91Å; V132-I135 PolarHBondContact O-N 2.93Å; V132-I135 VanDerWaalsContact O-N 3.15Å; V132-D136 WeakPolarHBondContact CG1-OD2 3.44Å; V132-D136 WeakPolarHBondContact O-CB 3.24Å; V132-D136 PolarHBondContact O-N 3.02Å; V132-D136 VanDerWaalsContact O-OD1 3.14Å
133	I	89.7	Confident	85.2	Confident	62 Å²	62	38.8 Å²	38.8	32%	0.318	20%	0.201	S	C	.	.	H	α-helix	trans	-51.5	-46	173	-69.6	162.2	0	0	0	111.6	L75 I79 C129 I130 L137	L75-I133 HydrophobicContact CD1-CG1 3.8Å; L75-I133 HydrophobicContact CD2-CD1 3.54Å; L75-I133 HydrophobicContact CD2-CG1 3.51Å; L75-I133 HydrophobicContact CG-CG1 4.33Å; I79-I133 HydrophobicContact CD1-CD1 3.7Å; C129-I133 WeakPolarHBondContact O-CG1 3.28Å; C129-I133 PolarHBondContact O-N 2.97Å; I130-I133 PolarHBondContact O-N 3.16Å; I133-L137 HydrophobicContact CG2-CD1 3.71Å; I133-L137 HydrophobicContact CG2-CG 4.26Å; I133-L137 WeakPolarHBondContact O-CB 3.42Å; I133-L137 WeakPolarHBondContact O-CG 3.5Å; I133-L137 PolarHBondContact O-N 3.38Å
134	I	88.1	Confident	84	Confident	43 Å²	43	36.3 Å²	36.3	22%	0.221	19%	0.193	C	C	.	.	H	α-helix	trans	-66.6	-39.4	-176.1	-69.2	165.9	0	0	0	111.6	I130 L131 V132 L145 L146 I156	I130-I134 HydrophobicContact CG2-CD1 3.96Å; I130-I134 WeakPolarHBondContact O-CG1 3.34Å; I130-I134 PolarHBondContact O-N 3.17Å; I130-I134 VanDerWaalsContact O-N 3.08Å; L131-I134 PolarHBondContact O-N 3.44Å; V132-I134 PolarHBondContact O-N 2.91Å; I134-L145 HydrophobicContact CG2-CD2 4.19Å; I134-L146 HydrophobicContact CG2-CD2 3.72Å; I134-I156 HydrophobicContact CG2-CD1 4.28Å; I134-I156 HydrophobicContact CG2-CG1 4.38Å; I134-I156 HydrophobicContact CG2-CG2 4.03Å
135	I	85.3	Confident	83	Confident	19 Å²	19	39 Å²	39	10%	0.097	21%	0.208	C	C	.	.	H	α-helix	trans	-72.4	-47.2	177.1	-68.8	166.2	0	0	0	110.2	L131 V132 L137 D138 T139 I156 W160	L131-I135 WeakPolarHBondContact O-CG1 3.34Å; L131-I135 PolarHBondContact O-N 3.39Å; V132-I135 PolarHBondContact O-N 2.93Å; V132-I135 VanDerWaalsContact O-N 3.15Å; I135-L137 VanDerWaalsContact C-N 3.26Å; I135-L137 PolarHBondContact O-N 3.24Å; I135-D138 PolarHBondContact O-N 3.25Å; I135-T139 PolarHBondContact O-N 3.41Å; I135-T139 PolarHBondContact O-OG1 3.4Å; I135-T139 VanDerWaalsContact O-OG1 3.09Å; I135-I156 HydrophobicContact CD1-CG2 4.26Å; I135-I156 HydrophobicContact CG1-CG2 3.88Å; I135-W160 HydrophobicContact CD1-CB 3.9Å; I135-W160 HydrophobicContact CD1-CD2 4.18Å; I135-W160 HydrophobicContact CD1-CG 3.64Å
136	D	83.3	Confident	82.2	Confident	18 Å²	18	39 Å²	39	10%	0.096	21%	0.207	C	C	.	.	H	α-helix	trans	-55.8	-42.2	177.7	-64.8	-1.5	0	0	0	111.3	S71 V132 D138 P140 W141	S71-D136 WeakPolarHBondContact CB-OD2 3.49Å; S71-D136 PolarHBondContact OG-OD2 2.89Å; V132-D136 WeakPolarHBondContact CG1-OD2 3.44Å; V132-D136 WeakPolarHBondContact O-CB 3.24Å; V132-D136 PolarHBondContact O-N 3.02Å; V132-D136 VanDerWaalsContact O-OD1 3.14Å; D136-D138 PolarHBondContact O-N 3.39Å; D136-P140 HydrophobicContact CB-CG 4.22Å; D136-P140 WeakPolarHBondContact O-CD 3.5Å; D136-P140 WeakPolarHBondContact O-CG 3.3Å; D136-W141 VanDerWaalsContact O-CD1 3.28Å; D136-W141 PolarHBondContact O-N 3.33Å
137	L	80.7	Confident	80.9	Confident	63 Å²	63	37.7 Å²	37.7	33%	0.33	20%	0.202	S	C	.	.	H	α-helix	trans	-61.2	-29.8	177	-76.3	171.5	0	0	0	112.7	I133 I135 W141 T143	I133-L137 HydrophobicContact CG2-CD1 3.71Å; I133-L137 HydrophobicContact CG2-CG 4.26Å; I133-L137 WeakPolarHBondContact O-CB 3.42Å; I133-L137 WeakPolarHBondContact O-CG 3.5Å; I133-L137 PolarHBondContact O-N 3.38Å; I135-L137 VanDerWaalsContact C-N 3.26Å; I135-L137 PolarHBondContact O-N 3.24Å; L137-W141 CarbonylContact O-C 3.35Å; L137-T143 VanDerWaalsContact C-OG1 3.26Å; L137-T143 HydrophobicContact CD2-CG2 4.38Å; L137-T143 VanDerWaalsContact O-CB 3.3Å; L137-T143 WeakPolarHBondContact O-CB 3.32Å; L137-T143 VanDerWaalsContact O-CG2 3.26Å; L137-T143 WeakPolarHBondContact O-CG2 3.4Å; L137-T143 PolarHBondContact O-N 3.49Å; L137-T143 PolarHBondContact O-OG1 3.02Å
138	D	74	Confident	80.1	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-86	-48.4	178.2	-153	73.5	0	0	0	112.1	I135 D136 D142 G144 L145 L146	I135-D138 PolarHBondContact O-N 3.25Å; D136-D138 PolarHBondContact O-N 3.39Å; D138-D142 WeakPolarHBondContact O-CA 3.31Å; D138-D142 PolarHBondContact O-N 3.29Å; D138-G144 WeakPolarHBondContact OD1-CA 3.17Å; D138-L145 PolarHBondContact OD1-N 3.04Å; D138-L146 HydrophobicContact CB-CB 4.27Å; D138-L146 HydrophobicContact CB-CD1 3.6Å; D138-L146 HydrophobicContact CB-CG 3.76Å; D138-L146 WeakPolarHBondContact OD1-CB 3.43Å; D138-L146 PolarHBondContact OD1-N 3.1Å
139	T	69.6	Low	79.4	Confident	57 Å²	57	44.8 Å²	44.8	35%	0.35	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-65.2	-169.1	43.1	0	0	0	0	115	I135	I135-T139 PolarHBondContact O-N 3.41Å; I135-T139 PolarHBondContact O-OG1 3.4Å; I135-T139 VanDerWaalsContact O-OG1 3.09Å
140	P	66	Low	78.6	Confident	6 Å²	6	49.1 Å²	49.1	4%	0.039	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-25.5	173.7	24.5	-32.5	0	0	0	114.3	D67 R68 D136	D67-P140 HydrophobicContact CB-CB 4.17Å; D67-P140 HydrophobicContact CB-CG 4.41Å; D67-P140 WeakPolarHBondContact OD2-CB 3.44Å; D67-P140 VanDerWaalsContact OD2-CD 3.31Å; D67-P140 WeakPolarHBondContact OD2-CD 3.36Å; D67-P140 WeakPolarHBondContact OD2-CG 3.29Å; R68-P140 HydrophobicContact CG-CB 3.75Å; R68-P140 PolarHBondContact NE-O 3.4Å; R68-P140 PolarHBondContact NH2-O 3.17Å; D136-P140 HydrophobicContact CB-CG 4.22Å; D136-P140 WeakPolarHBondContact O-CD 3.5Å; D136-P140 WeakPolarHBondContact O-CG 3.3Å
141	W	68.3	Low	78	Confident	138 Å²	138	51.5 Å²	51.5	52%	0.523	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-1.9	-176.5	-67.5	91.7	0	0	0	115.6	D136 L137 T143	D136-W141 VanDerWaalsContact O-CD1 3.28Å; D136-W141 PolarHBondContact O-N 3.33Å; L137-W141 CarbonylContact O-C 3.35Å; W141-T143 VanDerWaalsContact C-N 3.26Å; W141-T143 HydrophobicContact CB-CG2 4.44Å; W141-T143 PolarHBondContact O-N 3.31Å; W141-T143 VanDerWaalsContact O-N 3.16Å
142	D	70.2	Confident	77.7	Confident	53 Å²	53	53.9 Å²	53.9	28%	0.283	29%	0.285	S	S	.	.			trans	58.2	26	169.8	-92.9	-62.2	0	0	0	115.6	D138 G144 R288	D138-D142 WeakPolarHBondContact O-CA 3.31Å; D138-D142 PolarHBondContact O-N 3.29Å; D142-G144 VanDerWaalsContact C-N 3.28Å; D142-G144 PolarHBondContact O-N 3.39Å; D142-R288 IonicContact OD1-CZ 3.18Å; D142-R288 IonicContact OD1-NE 3.11Å; D142-R288 PolarHBondContact OD1-NE 3.18Å; D142-R288 IonicContact OD1-NH2 3.27Å; D142-R288 PolarHBondContact OD1-NH2 3.21Å; D142-R288 IonicContact OD2-CZ 2.6Å; D142-R288 IonicContact OD2-NH2 3.3Å; D142-R288 PolarHBondContact OD2-NH2 3.33Å
143	T	73.5	Confident	77.3	Confident	76 Å²	76	53.8 Å²	53.8	47%	0.466	28%	0.284	S	S	.	.			trans	-73.9	-13.8	-175.8	63.2	0	0	0	0	114.7	L137 W141 L145	L137-T143 VanDerWaalsContact C-OG1 3.26Å; L137-T143 HydrophobicContact CD2-CG2 4.38Å; L137-T143 VanDerWaalsContact O-CB 3.3Å; L137-T143 WeakPolarHBondContact O-CB 3.32Å; L137-T143 VanDerWaalsContact O-CG2 3.26Å; L137-T143 WeakPolarHBondContact O-CG2 3.4Å; L137-T143 PolarHBondContact O-N 3.49Å; L137-T143 PolarHBondContact O-OG1 3.02Å; W141-T143 VanDerWaalsContact C-N 3.26Å; W141-T143 HydrophobicContact CB-CG2 4.44Å; W141-T143 PolarHBondContact O-N 3.31Å; W141-T143 VanDerWaalsContact O-N 3.16Å; T143-L145 PolarHBondContact O-N 3.48Å; T143-L145 VanDerWaalsContact O-N 3.17Å; T143-L145 WeakPolarHBondContact OG1-CB 3.2Å
144	G	69.6	Low	77.1	Confident	21 Å²	21	51.2 Å²	51.2	22%	0.216	27%	0.272	C	S	.	.			trans	63.5	14.7	-176.3	0	0	0	0	0	114.4	D138 D142 L146 A147	D138-G144 WeakPolarHBondContact OD1-CA 3.17Å; D142-G144 VanDerWaalsContact C-N 3.28Å; D142-G144 PolarHBondContact O-N 3.39Å; G144-L146 VanDerWaalsContact C-N 3.26Å; G144-L146 PolarHBondContact O-N 3.06Å; G144-A147 WeakPolarHBondContact O-CA 3.46Å; G144-A147 WeakPolarHBondContact O-CB 3.44Å; G144-A147 PolarHBondContact O-N 2.9Å
145	L	76.1	Confident	77.1	Confident	73 Å²	73	54.3 Å²	54.3	38%	0.382	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-30.7	-174.6	-177.7	147.5	0	0	0	112.7	I134 D138 T143 A147 I148	I134-L145 HydrophobicContact CG2-CD2 4.19Å; D138-L145 PolarHBondContact OD1-N 3.04Å; T143-L145 PolarHBondContact O-N 3.48Å; T143-L145 VanDerWaalsContact O-N 3.17Å; T143-L145 WeakPolarHBondContact OG1-CB 3.2Å; L145-A147 VanDerWaalsContact C-N 3.34Å; L145-I148 WeakPolarHBondContact O-CD1 3.48Å; L145-I148 WeakPolarHBondContact O-CG1 3.38Å
146	L	76.6	Confident	77.3	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-20.5	174.2	-62.8	177.7	0	0	0	112.7	I134 D138 G144 I152 C153 I156 I230	I134-L146 HydrophobicContact CG2-CD2 3.72Å; D138-L146 HydrophobicContact CB-CB 4.27Å; D138-L146 HydrophobicContact CB-CD1 3.6Å; D138-L146 HydrophobicContact CB-CG 3.76Å; D138-L146 WeakPolarHBondContact OD1-CB 3.43Å; D138-L146 PolarHBondContact OD1-N 3.1Å; G144-L146 VanDerWaalsContact C-N 3.26Å; G144-L146 PolarHBondContact O-N 3.06Å; L146-I152 HydrophobicContact CD2-CG2 3.86Å; L146-C153 HydrophobicContact CB-CB 3.84Å; L146-C153 HydrophobicContact CD1-CB 4.44Å; L146-I156 HydrophobicContact CD2-CB 3.95Å; L146-I156 HydrophobicContact CD2-CG1 3.72Å; L146-I156 HydrophobicContact CD2-CG2 4.03Å; L146-I230 WeakPolarHBondContact O-CD1 3.23Å
147	A	69.8	Low	77.4	Confident	10 Å²	10	54 Å²	54	8%	0.083	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-5.6	-176.7	0	0	0	0	0	115.3	G144 L145 N149 I230 Y232 A287	G144-A147 WeakPolarHBondContact O-CA 3.46Å; G144-A147 WeakPolarHBondContact O-CB 3.44Å; G144-A147 PolarHBondContact O-N 2.9Å; L145-A147 VanDerWaalsContact C-N 3.34Å; A147-N149 PolarHBondContact O-N 3.02Å; A147-N149 VanDerWaalsContact O-N 3.09Å; A147-I230 HydrophobicContact CB-CG2 3.75Å; A147-Y232 PolarHBondContact O-OH 2.95Å; A147-A287 HydrophobicContact CB-CB 3.41Å; A147-A287 VanDerWaalsContact CB-CB 3.41Å; A147-A287 WeakPolarHBondContact CB-O 3.34Å
148	I	77.2	Confident	77.9	Confident	134 Å²	134	51.2 Å²	51.2	69%	0.687	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-29.3	175.1	-61.6	173.5	0	0	0	112.2	L145 I152	L145-I148 WeakPolarHBondContact O-CD1 3.48Å; L145-I148 WeakPolarHBondContact O-CG1 3.38Å; I148-I152 HydrophobicContact CB-CD1 4.47Å
149	N	79.9	Confident	78.8	Confident	75 Å²	75	54.4 Å²	54.4	40%	0.401	28%	0.284	S	S	.	.	S	Bend	trans	-153.2	132	176	171.3	-2.6	0	0	0	110.1	A147 L151 I152 I230	A147-N149 PolarHBondContact O-N 3.02Å; A147-N149 VanDerWaalsContact O-N 3.09Å; N149-L151 PolarHBondContact O-N 3.3Å; N149-L151 PolarHBondContact OD1-N 2.83Å; N149-I152 HydrophobicContact CB-CD1 3.8Å; N149-I152 HydrophobicContact CB-CG1 3.93Å; N149-I152 PolarHBondContact O-N 3.4Å; N149-I230 VanDerWaalsContact O-CD1 3.32Å; N149-I230 WeakPolarHBondContact O-CD1 3.23Å
150	N	76	Confident	79.8	Confident	90 Å²	90	53.5 Å²	53.5	48%	0.481	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-23.8	177.6	-68.8	-36.2	0	0	0	115.5	P154 Y232	N150-P154 VanDerWaalsContact O-CD 3.24Å; N150-P154 WeakPolarHBondContact O-CD 3.46Å; N150-P154 WeakPolarHBondContact O-CG 3.4Å; N150-Y232 VanDerWaalsContact OD1-CE2 3.29Å; N150-Y232 WeakPolarHBondContact OD1-CE2 3.22Å; N150-Y232 PolarHBondContact OD1-OH 2.9Å
151	L	82	Confident	80.9	Confident	129 Å²	129	54 Å²	54	68%	0.675	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-19.8	176.9	-63.3	176.6	0	0	0	114.3	N149 F155	N149-L151 PolarHBondContact O-N 3.3Å; N149-L151 PolarHBondContact OD1-N 2.83Å; L151-F155 WeakPolarHBondContact O-CB 3.17Å; L151-F155 PolarHBondContact O-N 2.93Å
152	I	85.5	Confident	82.1	Confident	58 Å²	58	47.7 Å²	47.7	30%	0.297	26%	0.255	S	S	.	.	H	α-helix	trans	-67.7	-51.8	-176.1	-73.3	174.8	0	0	0	110.7	L146 I148 N149 F155 I156	L146-I152 HydrophobicContact CD2-CG2 3.86Å; I148-I152 HydrophobicContact CB-CD1 4.47Å; N149-I152 HydrophobicContact CB-CD1 3.8Å; N149-I152 HydrophobicContact CB-CG1 3.93Å; N149-I152 PolarHBondContact O-N 3.4Å; I152-F155 PolarHBondContact O-N 2.75Å; I152-I156 HydrophobicContact CG2-CG1 4.15Å; I152-I156 WeakPolarHBondContact O-CG1 3.24Å; I152-I156 PolarHBondContact O-N 2.9Å
153	C	82.5	Confident	83.2	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.7	-49.6	-177.1	-167.4	0	0	0	0	114.3	L146 F155 I156 H157 I230 C289	L146-C153 HydrophobicContact CB-CB 3.84Å; L146-C153 HydrophobicContact CD1-CB 4.44Å; C153-F155 PolarHBondContact O-N 2.65Å; C153-I156 PolarHBondContact O-N 3.46Å; C153-I156 VanDerWaalsContact O-N 3.09Å; C153-H157 PolarHBondContact O-N 3.45Å; C153-H157 PolarHBondContact SG-CD2 2.93Å; C153-H157 PolarHBondContact SG-NE2 3.03Å; C153-I230 HydrophobicContact CB-CD1 3.79Å; C153-I230 HydrophobicContact CB-CG1 4.02Å; C153-C289 HydrophobicContact CB-CB 3.72Å; C153-C289 WeakPolarHBondContact CB-SG 3.39Å; C153-C289 WeakPolarHBondContact SG-CB 3.45Å; C153-C289 CovalentContact SG-SG 2Å; C153-C289 PolarHBondContact SG-SG 2.87Å
154	P	84.4	Confident	84.1	Confident	9 Å²	9	43.5 Å²	43.5	6%	0.058	23%	0.228	C	C	.	.	H	α-helix	trans	-60.3	-33.1	178.4	-23.7	36.1	0	0	0	112.3	N150 C158 I225 W228	N150-P154 VanDerWaalsContact O-CD 3.24Å; N150-P154 WeakPolarHBondContact O-CD 3.46Å; N150-P154 WeakPolarHBondContact O-CG 3.4Å; P154-C158 WeakPolarHBondContact O-CB 3.4Å; P154-C158 PolarHBondContact O-N 3.12Å; P154-I225 HydrophobicContact CB-CB 4.46Å; P154-I225 HydrophobicContact CB-CG2 3.94Å; P154-W228 HydrophobicContact CB-CB 4Å; P154-W228 HydrophobicContact CG-CB 4.14Å; P154-W228 WeakPolarHBondContact CG-O 3.5Å
155	F	88.6	Confident	85.2	Confident	107 Å²	107	43.1 Å²	43.1	47%	0.469	22%	0.221	S	C	.	.	H	α-helix	trans	-69.4	-41	174	-177.2	-108.2	0	0	0	112.8	L151 I152 C153 C158 L159	L151-F155 WeakPolarHBondContact O-CB 3.17Å; L151-F155 PolarHBondContact O-N 2.93Å; I152-F155 PolarHBondContact O-N 2.75Å; C153-F155 PolarHBondContact O-N 2.65Å; F155-C158 WeakPolarHBondContact O-CB 3.17Å; F155-C158 PolarHBondContact O-N 3.49Å; F155-L159 HydrophobicContact CD1-CD1 4.03Å; F155-L159 HydrophobicContact CD1-CG 4.44Å; F155-L159 HydrophobicContact CE1-CD1 3.49Å; F155-L159 VanDerWaalsContact CE1-CD1 3.49Å; F155-L159 HydrophobicContact CE1-CG 4.11Å; F155-L159 HydrophobicContact CE2-CG 4.41Å; F155-L159 HydrophobicContact CZ-CD1 3.82Å; F155-L159 HydrophobicContact CZ-CD2 4.25Å; F155-L159 HydrophobicContact CZ-CG 4.09Å; F155-L159 WeakPolarHBondContact O-CG 3.44Å; F155-L159 PolarHBondContact O-N 3.16Å
156	I	89.6	Confident	86.1	Confident	20 Å²	20	39.7 Å²	39.7	10%	0.103	20%	0.203	C	C	.	.	H	α-helix	trans	-67	-42.9	177.3	-70.3	-67	0	0	0	111.8	L131 I134 I135 L146 I152 C153 L159 W160	L131-I156 HydrophobicContact CD2-CD1 4.12Å; L131-I156 HydrophobicContact CD2-CG2 4.35Å; I134-I156 HydrophobicContact CG2-CD1 4.28Å; I134-I156 HydrophobicContact CG2-CG1 4.38Å; I134-I156 HydrophobicContact CG2-CG2 4.03Å; I135-I156 HydrophobicContact CD1-CG2 4.26Å; I135-I156 HydrophobicContact CG1-CG2 3.88Å; L146-I156 HydrophobicContact CD2-CB 3.95Å; L146-I156 HydrophobicContact CD2-CG1 3.72Å; L146-I156 HydrophobicContact CD2-CG2 4.03Å; I152-I156 HydrophobicContact CG2-CG1 4.15Å; I152-I156 WeakPolarHBondContact O-CG1 3.24Å; I152-I156 PolarHBondContact O-N 2.9Å; C153-I156 PolarHBondContact O-N 3.46Å; C153-I156 VanDerWaalsContact O-N 3.09Å; I156-L159 PolarHBondContact O-N 2.89Å; I156-W160 WeakPolarHBondContact O-CB 3.47Å; I156-W160 PolarHBondContact O-N 3.42Å
157	H	86.5	Confident	87	Confident	11 Å²	11	39.7 Å²	39.7	5%	0.051	20%	0.203	C	C	.	.	H	α-helix	trans	-67.1	-37	173.5	-74	-64.1	0	0	0	112.5	C153 W160 T161 W228	C153-H157 PolarHBondContact O-N 3.45Å; C153-H157 PolarHBondContact SG-CD2 2.93Å; C153-H157 PolarHBondContact SG-NE2 3.03Å; H157-W160 PolarHBondContact O-N 3.24Å; H157-T161 PolarHBondContact O-N 3.38Å; H157-W228 HydrophobicContact CB-CD2 4.01Å; H157-W228 HydrophobicContact CB-CG 3.95Å; H157-W228 HydrophobicContact CB-CZ2 4.32Å; H157-W228 AromaticContact CD2-CD2 3.4Å; H157-W228 AromaticContact CD2-CE2 3.67Å; H157-W228 AromaticContact CD2-CE3 3.46Å; H157-W228 VanDerWaalsContact CD2-CE3 3.46Å; H157-W228 AromaticContact CD2-CG 3.92Å; H157-W228 AromaticContact CD2-CZ2 3.98Å; H157-W228 AromaticContact CD2-CZ3 3.76Å; H157-W228 AromaticContact CE1-CH2 3.72Å; H157-W228 AromaticContact CE1-CZ2 3.95Å; H157-W228 AromaticContact CE1-CZ3 3.99Å; H157-W228 AromaticContact CG-CD2 3.72Å; H157-W228 AromaticContact CG-CE2 3.5Å; H157-W228 AromaticContact CG-CZ2 3.77Å; H157-W228 AromaticContact CG-NE1 3.8Å; H157-W228 AromaticContact ND1-CE2 3.97Å; H157-W228 AromaticContact ND1-CZ2 3.74Å; H157-W228 AromaticContact NE2-CE3 3.7Å; H157-W228 AromaticContact NE2-CH2 3.73Å; H157-W228 AromaticContact NE2-CZ3 3.51Å
158	C	90	Very high	88.1	Confident	4 Å²	4	39.5 Å²	39.5	3%	0.027	20%	0.201	C	C	.	.	H	α-helix	trans	-57.5	-48.5	169.6	171.1	0	0	0	0	111.6	P154 F155 W160 G162 S221 I225	P154-C158 WeakPolarHBondContact O-CB 3.4Å; P154-C158 PolarHBondContact O-N 3.12Å; F155-C158 WeakPolarHBondContact O-CB 3.17Å; F155-C158 PolarHBondContact O-N 3.49Å; C158-W160 VanDerWaalsContact C-N 3.32Å; C158-W160 PolarHBondContact O-N 2.88Å; C158-G162 PolarHBondContact O-N 3.24Å; C158-S221 WeakPolarHBondContact O-CB 3.32Å; C158-S221 PolarHBondContact O-OG 3.38Å; C158-S221 PolarHBondContact SG-O 3.46Å; C158-S221 VanDerWaalsContact SG-O 3.4Å; C158-S221 PolarHBondContact SG-OG 2.96Å; C158-I225 HydrophobicContact CB-CD1 3.95Å; C158-I225 HydrophobicContact CB-CG1 3.64Å
159	L	92.5	Very high	88.9	Confident	71 Å²	71	34.7 Å²	34.7	37%	0.372	18%	0.176	S	C	.	.	H	α-helix	trans	-61.7	-38.9	175.5	-73.3	-177.5	0	0	0	112.2	L131 F155 I156 N163	L131-L159 HydrophobicContact CD1-CB 4.1Å; L131-L159 HydrophobicContact CD2-CB 4.04Å; L131-L159 HydrophobicContact CD2-CD1 4.49Å; F155-L159 HydrophobicContact CD1-CD1 4.03Å; F155-L159 HydrophobicContact CD1-CG 4.44Å; F155-L159 HydrophobicContact CE1-CD1 3.49Å; F155-L159 VanDerWaalsContact CE1-CD1 3.49Å; F155-L159 HydrophobicContact CE1-CG 4.11Å; F155-L159 HydrophobicContact CE2-CG 4.41Å; F155-L159 HydrophobicContact CZ-CD1 3.82Å; F155-L159 HydrophobicContact CZ-CD2 4.25Å; F155-L159 HydrophobicContact CZ-CG 4.09Å; F155-L159 WeakPolarHBondContact O-CG 3.44Å; F155-L159 PolarHBondContact O-N 3.16Å; I156-L159 PolarHBondContact O-N 2.89Å; L159-N163 WeakPolarHBondContact O-CB 3.49Å; L159-N163 PolarHBondContact O-N 3.06Å
160	W	91.4	Very high	89.6	Confident	37 Å²	37	31.1 Å²	31.1	14%	0.14	16%	0.157	C	C	.	.	H	α-helix	trans	-65.1	-50.7	178.4	-179.2	88.2	0	0	0	112.1	I135 I156 H157 C158 N163 R164 I441	I135-W160 HydrophobicContact CD1-CB 3.9Å; I135-W160 HydrophobicContact CD1-CD2 4.18Å; I135-W160 HydrophobicContact CD1-CG 3.64Å; I156-W160 WeakPolarHBondContact O-CB 3.47Å; I156-W160 PolarHBondContact O-N 3.42Å; H157-W160 PolarHBondContact O-N 3.24Å; C158-W160 VanDerWaalsContact C-N 3.32Å; C158-W160 PolarHBondContact O-N 2.88Å; W160-N163 PolarHBondContact O-N 2.95Å; W160-R164 VanDerWaalsContact CH2-NH1 3.28Å; W160-R164 WeakPolarHBondContact O-CB 3.46Å; W160-R164 VanDerWaalsContact O-CG 3.28Å; W160-R164 WeakPolarHBondContact O-CG 3.4Å; W160-R164 PolarHBondContact O-N 3.18Å; W160-I441 HydrophobicContact CZ2-CG2 4.13Å
161	T	89.5	Confident	90.5	Very high	17 Å²	17	26.9 Å²	26.9	10%	0.104	13%	0.134	C	C	.	.	H	α-helix	trans	-65.7	-42.7	176.8	-65.6	0	0	0	0	111.6	H157 N163 R164 L165 Y220 E224	H157-T161 PolarHBondContact O-N 3.38Å; T161-N163 PolarHBondContact O-N 2.73Å; T161-R164 PolarHBondContact O-N 2.97Å; T161-L165 WeakPolarHBondContact O-CB 3.42Å; T161-L165 PolarHBondContact O-N 3.03Å; T161-Y220 HydrophobicContact CG2-CD1 4.46Å; T161-Y220 HydrophobicContact CG2-CE1 4.06Å; T161-E224 VanDerWaalsContact CB-OE2 3.24Å; T161-E224 WeakPolarHBondContact CB-OE2 3.06Å; T161-E224 PolarHBondContact OG1-OE2 3.12Å
162	G	92.8	Very high	91.1	Very high	6 Å²	6	21.4 Å²	21.4	6%	0.062	11%	0.106	C	C	.	.	H	α-helix	trans	-61.9	-42.4	177	0	0	0	0	0	112.2	C158 L165 A166 A217 S221	C158-G162 PolarHBondContact O-N 3.24Å; G162-L165 PolarHBondContact O-N 3Å; G162-A166 VanDerWaalsContact O-CB 3.28Å; G162-A166 WeakPolarHBondContact O-CB 3.36Å; G162-A166 PolarHBondContact O-N 2.97Å; G162-A217 WeakPolarHBondContact O-CB 3.45Å; G162-S221 WeakPolarHBondContact CA-OG 3.4Å; G162-S221 VanDerWaalsContact N-CB 3.35Å
163	N	94	Very high	91.4	Very high	13 Å²	13	20 Å²	20	7%	0.07	10%	0.099	C	C	.	.	H	α-helix	trans	-68.2	-42.6	175.3	-172.7	66.6	0	0	0	111.9	L124 Q128 L131 L159 W160 T161 L165 A166 I167	L124-N163 VanDerWaalsContact CD2-OD1 3.25Å; L124-N163 WeakPolarHBondContact CD2-OD1 3.14Å; L124-N163 PolarHBondContact O-ND2 2.98Å; L124-N163 PolarHBondContact O-OD1 2.83Å; Q128-N163 WeakPolarHBondContact CA-ND2 3.21Å; Q128-N163 WeakPolarHBondContact CB-ND2 3.5Å; Q128-N163 PolarHBondContact N-ND2 3.22Å; Q128-N163 PolarHBondContact OE1-ND2 2.79Å; L131-N163 HydrophobicContact CD1-CB 4.15Å; L159-N163 WeakPolarHBondContact O-CB 3.49Å; L159-N163 PolarHBondContact O-N 3.06Å; W160-N163 PolarHBondContact O-N 2.95Å; T161-N163 PolarHBondContact O-N 2.73Å; N163-L165 VanDerWaalsContact C-N 3.34Å; N163-L165 PolarHBondContact O-N 2.95Å; N163-A166 PolarHBondContact O-N 3.34Å; N163-I167 VanDerWaalsContact O-CG1 3.24Å; N163-I167 WeakPolarHBondContact O-CG1 3.38Å; N163-I167 PolarHBondContact O-N 2.85Å
164	R	92.1	Very high	91.8	Very high	28 Å²	28	20 Å²	20	11%	0.106	10%	0.099	C	C	.	.	H	α-helix	trans	-55.7	-48.9	173.2	-75	174.6	94.7	-144.9	7.1	110.8	W160 T161 I167 I168 R396 N399 S444	W160-R164 VanDerWaalsContact CH2-NH1 3.28Å; W160-R164 WeakPolarHBondContact O-CB 3.46Å; W160-R164 VanDerWaalsContact O-CG 3.28Å; W160-R164 WeakPolarHBondContact O-CG 3.4Å; W160-R164 PolarHBondContact O-N 3.18Å; T161-R164 PolarHBondContact O-N 2.97Å; R164-I167 PolarHBondContact O-N 3.38Å; R164-I168 WeakPolarHBondContact O-CG1 3.46Å; R164-I168 PolarHBondContact O-N 3.27Å; R164-R396 PolarHBondContact O-NH2 2.84Å; R164-N399 VanDerWaalsContact NH2-CG 3.31Å; R164-N399 PolarHBondContact NH2-OD1 3.37Å; R164-S444 PolarHBondContact NH2-OG 3.06Å
165	L	92.4	Very high	92.2	Very high	13 Å²	13	19.5 Å²	19.5	7%	0.068	10%	0.097	C	C	.	.	H	α-helix	trans	-63.7	-45.4	177.8	-179.7	57.1	0	0	0	112.3	T161 G162 N163 I167 I168 L169 A217 Y220 I337 I341	T161-L165 WeakPolarHBondContact O-CB 3.42Å; T161-L165 PolarHBondContact O-N 3.03Å; G162-L165 PolarHBondContact O-N 3Å; N163-L165 VanDerWaalsContact C-N 3.34Å; N163-L165 PolarHBondContact O-N 2.95Å; L165-I167 VanDerWaalsContact C-N 3.33Å; L165-I167 PolarHBondContact O-N 3.09Å; L165-I168 HydrophobicContact CD1-CD1 4.43Å; L165-I168 PolarHBondContact O-N 2.91Å; L165-I168 VanDerWaalsContact O-N 3.11Å; L165-L169 HydrophobicContact CD1-CD1 3.99Å; L165-L169 HydrophobicContact CD1-CG 4.01Å; L165-L169 HydrophobicContact CG-CD1 3.93Å; L165-L169 HydrophobicContact CG-CG 4.37Å; L165-L169 WeakPolarHBondContact O-CG 3.06Å; L165-L169 PolarHBondContact O-N 3.45Å; L165-A217 HydrophobicContact CB-CB 4.17Å; L165-A217 HydrophobicContact CD2-CB 4.18Å; L165-A217 HydrophobicContact CG-CB 4.03Å; L165-Y220 HydrophobicContact CD2-CD1 3.37Å; L165-Y220 HydrophobicContact CD2-CD2 4.45Å; L165-Y220 HydrophobicContact CD2-CE1 4.04Å; L165-Y220 HydrophobicContact CD2-CG 3.61Å; L165-I337 HydrophobicContact CD1-CG2 4.5Å; L165-I341 HydrophobicContact CD1-CD1 4.03Å
166	A	94.9	Very high	92.2	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.008	9%	0.086	C	C	.	.	H	α-helix	trans	-58.3	-43.3	177.7	0	0	0	0	0	112.1	L124 G162 N163 I168 L169 I170 L214 A217	L124-A166 HydrophobicContact CD1-CB 4.17Å; G162-A166 VanDerWaalsContact O-CB 3.28Å; G162-A166 WeakPolarHBondContact O-CB 3.36Å; G162-A166 PolarHBondContact O-N 2.97Å; N163-A166 PolarHBondContact O-N 3.34Å; A166-I168 PolarHBondContact O-N 3.04Å; A166-L169 PolarHBondContact O-N 2.84Å; A166-I170 WeakPolarHBondContact O-CB 3.44Å; A166-I170 VanDerWaalsContact O-CG1 3.24Å; A166-I170 WeakPolarHBondContact O-CG1 3.36Å; A166-I170 PolarHBondContact O-N 3.22Å; A166-L214 HydrophobicContact CB-CD2 3.74Å; A166-A217 HydrophobicContact CB-CB 3.83Å
167	I	94.8	Very high	92.1	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-55.4	-50	173.8	-68.6	165.9	0	0	0	110.1	L121 L124 H125 Q128 N163 R164 L165 L169 I170 T171 Q392	L121-I167 HydrophobicContact CD1-CB 4.5Å; L121-I167 HydrophobicContact CD1-CG2 3.73Å; L124-I167 HydrophobicContact CB-CD1 4.22Å; L124-I167 HydrophobicContact CB-CG1 3.53Å; L124-I167 HydrophobicContact CD1-CG1 4.38Å; H125-I167 WeakPolarHBondContact NE2-CG2 3.45Å; Q128-I167 HydrophobicContact CB-CD1 4.12Å; Q128-I167 HydrophobicContact CG-CD1 4.49Å; N163-I167 VanDerWaalsContact O-CG1 3.24Å; N163-I167 WeakPolarHBondContact O-CG1 3.38Å; N163-I167 PolarHBondContact O-N 2.85Å; R164-I167 PolarHBondContact O-N 3.38Å; L165-I167 VanDerWaalsContact C-N 3.33Å; L165-I167 PolarHBondContact O-N 3.09Å; I167-L169 PolarHBondContact O-N 2.96Å; I167-I170 PolarHBondContact O-N 2.94Å; I167-T171 PolarHBondContact O-N 2.99Å; I167-T171 PolarHBondContact O-OG1 2.92Å; I167-Q392 VanDerWaalsContact CG2-NE2 3.28Å
168	I	93.6	Very high	92	Very high	5 Å²	5	15.4 Å²	15.4	3%	0.026	8%	0.08	C	C	.	.	H	α-helix	trans	-64.3	-41.5	-176.7	-10	179.2	0	0	0	112.2	R164 L165 A166 T171 I172 I341 N345	R164-I168 WeakPolarHBondContact O-CG1 3.46Å; R164-I168 PolarHBondContact O-N 3.27Å; L165-I168 HydrophobicContact CD1-CD1 4.43Å; L165-I168 PolarHBondContact O-N 2.91Å; L165-I168 VanDerWaalsContact O-N 3.11Å; A166-I168 PolarHBondContact O-N 3.04Å; I168-T171 PolarHBondContact O-N 3.44Å; I168-I172 WeakPolarHBondContact O-CG1 3.19Å; I168-I172 PolarHBondContact O-N 3.46Å; I168-I341 HydrophobicContact CB-CG2 3.62Å; I168-I341 HydrophobicContact CD1-CG2 3.97Å; I168-I341 HydrophobicContact CG1-CG2 4.34Å; I168-I341 HydrophobicContact CG2-CG2 3.32Å; I168-N345 WeakPolarHBondContact CG2-ND2 3.41Å
169	L	94.5	Very high	91.7	Very high	34 Å²	34	16.5 Å²	16.5	18%	0.178	9%	0.085	C	C	.	.	H	α-helix	trans	-68.8	-34.6	178.7	-66.4	176.2	0	0	0	112.4	L165 A166 I167 T173 I213 I341	L165-L169 HydrophobicContact CD1-CD1 3.99Å; L165-L169 HydrophobicContact CD1-CG 4.01Å; L165-L169 HydrophobicContact CG-CD1 3.93Å; L165-L169 HydrophobicContact CG-CG 4.37Å; L165-L169 WeakPolarHBondContact O-CG 3.06Å; L165-L169 PolarHBondContact O-N 3.45Å; A166-L169 PolarHBondContact O-N 2.84Å; I167-L169 PolarHBondContact O-N 2.96Å; L169-T173 WeakPolarHBondContact O-CB 3.47Å; L169-T173 PolarHBondContact O-N 3.3Å; L169-T173 PolarHBondContact O-OG1 2.9Å; L169-I213 HydrophobicContact CB-CG2 3.47Å; L169-I213 VanDerWaalsContact CB-CG2 3.47Å; L169-I213 HydrophobicContact CD1-CG2 4.13Å; L169-I213 HydrophobicContact CG-CG2 4.46Å; L169-I341 HydrophobicContact CD2-CD1 4.46Å
170	I	94.8	Very high	91.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-67.9	-42.3	171.2	-67.8	-70	0	0	0	110.9	Y117 I120 L121 L124 A166 I167 I172 T173 L174 I213	Y117-I170 HydrophobicContact CD1-CD1 4.25Å; I120-I170 HydrophobicContact CG2-CD1 4.29Å; I120-I170 HydrophobicContact CG2-CG1 4.42Å; L121-I170 HydrophobicContact CB-CG2 4.06Å; L121-I170 HydrophobicContact CD1-CG2 4.35Å; L124-I170 HydrophobicContact CD1-CG1 4.04Å; A166-I170 WeakPolarHBondContact O-CB 3.44Å; A166-I170 VanDerWaalsContact O-CG1 3.24Å; A166-I170 WeakPolarHBondContact O-CG1 3.36Å; A166-I170 PolarHBondContact O-N 3.22Å; I167-I170 PolarHBondContact O-N 2.94Å; I170-I172 PolarHBondContact O-N 2.86Å; I170-T173 PolarHBondContact O-N 2.99Å; I170-L174 WeakPolarHBondContact O-CB 3.46Å; I170-L174 PolarHBondContact O-N 3.29Å; I170-I213 HydrophobicContact CD1-CB 4.31Å; I170-I213 HydrophobicContact CD1-CD1 3.9Å; I170-I213 HydrophobicContact CD1-CG2 4.09Å; I170-I213 HydrophobicContact CG1-CG2 4.04Å
171	T	94.3	Very high	90.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-59.8	-45.5	174	-50.9	0	0	0	0	111.4	I167 I168 T173 L174 G175 N345 I388 C389 Q392	I167-T171 PolarHBondContact O-N 2.99Å; I167-T171 PolarHBondContact O-OG1 2.92Å; I168-T171 PolarHBondContact O-N 3.44Å; T171-T173 VanDerWaalsContact C-N 3.34Å; T171-T173 PolarHBondContact O-N 2.91Å; T171-L174 PolarHBondContact O-N 3.42Å; T171-G175 PolarHBondContact O-N 3.47Å; T171-N345 WeakPolarHBondContact CG2-OD1 3.4Å; T171-I388 HydrophobicContact CG2-CG2 4.16Å; T171-C389 HydrophobicContact CG2-CB 4.36Å; T171-Q392 HydrophobicContact CG2-CB 4.06Å; T171-Q392 HydrophobicContact CG2-CG 4.2Å; T171-Q392 PolarHBondContact OG1-OE1 3.46Å
172	I	93.8	Very high	89.9	Confident	15 Å²	15	14 Å²	14	8%	0.077	7%	0.074	C	C	.	.	H	α-helix	trans	-59	-45.8	175	-76.3	171.1	0	0	0	110.9	I168 I170 G175 I176 I341 L344 N345 I348	I168-I172 WeakPolarHBondContact O-CG1 3.19Å; I168-I172 PolarHBondContact O-N 3.46Å; I170-I172 PolarHBondContact O-N 2.86Å; I172-G175 PolarHBondContact O-N 3.15Å; I172-I176 HydrophobicContact CG2-CD1 3.58Å; I172-I176 HydrophobicContact CG2-CG1 4.32Å; I172-I176 WeakPolarHBondContact O-CB 3.43Å; I172-I176 VanDerWaalsContact O-CG1 3.29Å; I172-I176 WeakPolarHBondContact O-CG1 3.46Å; I172-I176 PolarHBondContact O-N 3.06Å; I172-I341 HydrophobicContact CD1-CB 4.47Å; I172-I341 HydrophobicContact CD1-CG2 3.63Å; I172-L344 HydrophobicContact CD1-CD2 3.93Å; I172-L344 HydrophobicContact CD1-CG 4.24Å; I172-N345 WeakPolarHBondContact CG1-OD1 3.44Å; I172-I348 HydrophobicContact CB-CD1 4.35Å; I172-I348 HydrophobicContact CG1-CD1 4.14Å; I172-I348 HydrophobicContact CG2-CD1 3.93Å
173	T	92.6	Very high	89	Confident	27 Å²	27	16.3 Å²	16.3	17%	0.166	8%	0.084	C	C	.	.	H	α-helix	trans	-65.7	-41.7	-178.5	-58.6	0	0	0	0	112	Y117 L169 I170 T171 I176 E177 I209 I213	Y117-T173 HydrophobicContact CD1-CG2 4.45Å; Y117-T173 HydrophobicContact CE1-CG2 3.71Å; Y117-T173 HydrophobicContact CE2-CG2 4.17Å; Y117-T173 WeakPolarHBondContact OH-CG2 3.45Å; L169-T173 WeakPolarHBondContact O-CB 3.47Å; L169-T173 PolarHBondContact O-N 3.3Å; L169-T173 PolarHBondContact O-OG1 2.9Å; I170-T173 PolarHBondContact O-N 2.99Å; T171-T173 VanDerWaalsContact C-N 3.34Å; T171-T173 PolarHBondContact O-N 2.91Å; T173-I176 PolarHBondContact O-N 3.5Å; T173-E177 WeakPolarHBondContact O-CB 3.43Å; T173-E177 PolarHBondContact O-N 3.11Å; T173-I209 HydrophobicContact CG2-CG2 3.9Å; T173-I213 HydrophobicContact CG2-CD1 4.23Å; T173-I213 WeakPolarHBondContact OG1-CD1 3.24Å
174	L	91.9	Very high	87.7	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.4	-44.2	173.8	177.3	72.3	0	0	0	111.5	L114 L118 L121 I170 T171 T178 I385	L114-L174 HydrophobicContact CB-CD1 4.42Å; L114-L174 HydrophobicContact CD2-CD1 3.71Å; L118-L174 HydrophobicContact CD2-CD2 3.75Å; L118-L174 HydrophobicContact CG-CD1 4.17Å; L118-L174 HydrophobicContact CG-CD2 4.17Å; L121-L174 HydrophobicContact CD2-CD2 4.45Å; I170-L174 WeakPolarHBondContact O-CB 3.46Å; I170-L174 PolarHBondContact O-N 3.29Å; T171-L174 PolarHBondContact O-N 3.42Å; L174-T178 WeakPolarHBondContact O-CB 3.45Å; L174-T178 PolarHBondContact O-N 2.86Å; L174-T178 PolarHBondContact O-OG1 2.75Å; L174-I385 HydrophobicContact CD1-CD1 4.19Å; L174-I385 HydrophobicContact CD2-CG2 3.94Å; L174-I385 HydrophobicContact CG-CG2 3.73Å
175	G	91.2	Very high	86.3	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.9	-43.2	177.3	0	0	0	0	0	113	T171 I172 T178 L179	T171-G175 PolarHBondContact O-N 3.47Å; I172-G175 PolarHBondContact O-N 3.15Å; G175-T178 PolarHBondContact O-N 2.99Å; G175-L179 WeakPolarHBondContact O-CB 3.46Å; G175-L179 PolarHBondContact O-N 2.9Å
176	I	89.4	Confident	84.6	Confident	46 Å²	46	25.2 Å²	25.2	24%	0.236	13%	0.125	C	C	.	.	H	α-helix	trans	-64.6	-42.3	176.2	-73.5	173.9	0	0	0	111.4	I172 T173 L179 V180 L194 I198 I348	I172-I176 HydrophobicContact CG2-CD1 3.58Å; I172-I176 HydrophobicContact CG2-CG1 4.32Å; I172-I176 WeakPolarHBondContact O-CB 3.43Å; I172-I176 VanDerWaalsContact O-CG1 3.29Å; I172-I176 WeakPolarHBondContact O-CG1 3.46Å; I172-I176 PolarHBondContact O-N 3.06Å; T173-I176 PolarHBondContact O-N 3.5Å; I176-L179 PolarHBondContact O-N 3.42Å; I176-V180 PolarHBondContact O-N 2.91Å; I176-L194 HydrophobicContact CG2-CD2 3.94Å; I176-I198 HydrophobicContact CG2-CD1 3.46Å; I176-I198 VanDerWaalsContact CG2-CD1 3.46Å; I176-I198 HydrophobicContact CG2-CG1 3.77Å; I176-I348 HydrophobicContact CD1-CD1 4.16Å; I176-I348 HydrophobicContact CG1-CD1 3.89Å; I176-I348 HydrophobicContact CG1-CG1 4.4Å
177	E	86.7	Confident	82.8	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-61.5	-44.8	173.5	-179.2	165.3	-126.1	0	0	111.2	S113 L114 Y117 T173 L179 V180 L181 I198 A199 D200 G201	S113-E177 WeakPolarHBondContact CB-OE1 3.08Å; S113-E177 VanDerWaalsContact CB-OE2 3.23Å; S113-E177 WeakPolarHBondContact CB-OE2 3.21Å; S113-E177 PolarHBondContact OG-OE1 3.33Å; S113-E177 PolarHBondContact OG-OE2 3.25Å; L114-E177 HydrophobicContact CD2-CB 4.28Å; L114-E177 HydrophobicContact CD2-CG 4.01Å; Y117-E177 WeakPolarHBondContact CD2-OE2 3.19Å; Y117-E177 VanDerWaalsContact CE2-OE2 3.23Å; Y117-E177 WeakPolarHBondContact CE2-OE2 3.42Å; T173-E177 WeakPolarHBondContact O-CB 3.43Å; T173-E177 PolarHBondContact O-N 3.11Å; E177-L179 VanDerWaalsContact C-N 3.34Å; E177-L179 PolarHBondContact O-N 2.92Å; E177-V180 PolarHBondContact O-N 2.73Å; E177-L181 HydrophobicContact CG-CD1 3.96Å; E177-L181 HydrophobicContact CG-CG 4.29Å; E177-L181 WeakPolarHBondContact O-CB 3.24Å; E177-L181 VanDerWaalsContact O-CG 3.31Å; E177-L181 WeakPolarHBondContact O-CG 3.33Å; E177-L181 PolarHBondContact O-N 3.31Å; E177-I198 HydrophobicContact CB-CG2 3.78Å; E177-I198 HydrophobicContact CG-CG2 3.71Å; E177-A199 WeakPolarHBondContact OE1-CB 3.15Å; E177-D200 PolarHBondContact OE1-N 2.97Å; E177-G201 PolarHBondContact OE1-N 3.48Å
178	T	85.3	Confident	81.1	Confident	4 Å²	4	38.7 Å²	38.7	3%	0.025	19%	0.191	C	C	.	.	H	α-helix	trans	-61.3	-42	177.9	-57.3	0	0	0	0	111.9	L174 G175 L181 L182 I352 V382 I385	L174-T178 WeakPolarHBondContact O-CB 3.45Å; L174-T178 PolarHBondContact O-N 2.86Å; L174-T178 PolarHBondContact O-OG1 2.75Å; G175-T178 PolarHBondContact O-N 2.99Å; T178-L181 PolarHBondContact O-N 2.84Å; T178-L182 PolarHBondContact O-N 2.98Å; T178-I352 HydrophobicContact CG2-CD1 4.25Å; T178-I352 HydrophobicContact CG2-CG1 4.48Å; T178-I352 HydrophobicContact CG2-CG2 4.16Å; T178-V382 HydrophobicContact CG2-CG1 4.22Å; T178-I385 HydrophobicContact CG2-CB 4.39Å; T178-I385 HydrophobicContact CG2-CD1 4.24Å; T178-I385 HydrophobicContact CG2-CG2 4.35Å; T178-I385 VanDerWaalsContact OG1-CD1 3.3Å; T178-I385 WeakPolarHBondContact OG1-CD1 3.43Å; T178-I385 WeakPolarHBondContact OG1-CG2 3.23Å
179	L	84.3	Confident	79.3	Confident	27 Å²	27	43.6 Å²	43.6	14%	0.141	22%	0.223	C	C	.	.	H	α-helix	trans	-64.3	-39.4	177.3	-173.8	63.1	0	0	0	112.1	G175 I176 E177 Q183 A351 I352 A355	G175-L179 WeakPolarHBondContact O-CB 3.46Å; G175-L179 PolarHBondContact O-N 2.9Å; I176-L179 PolarHBondContact O-N 3.42Å; E177-L179 VanDerWaalsContact C-N 3.34Å; E177-L179 PolarHBondContact O-N 2.92Å; L179-Q183 HydrophobicContact CD1-CG 4.5Å; L179-Q183 WeakPolarHBondContact O-CB 3.38Å; L179-Q183 VanDerWaalsContact O-CG 3.27Å; L179-Q183 WeakPolarHBondContact O-CG 3.27Å; L179-Q183 PolarHBondContact O-N 3.46Å; L179-A351 HydrophobicContact CD1-CB 4.14Å; L179-A351 HydrophobicContact CD2-CB 4.09Å; L179-I352 HydrophobicContact CB-CG1 4.12Å; L179-I352 HydrophobicContact CD1-CG1 4.27Å; L179-A355 HydrophobicContact CD1-CB 4.22Å
180	V	80.1	Confident	77.6	Confident	7 Å²	7	45.5 Å²	45.5	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-77.7	-27	178	170.6	0	0	0	0	112.9	I176 E177 R184 L194 R195 I198	I176-V180 PolarHBondContact O-N 2.91Å; E177-V180 PolarHBondContact O-N 2.73Å; V180-R184 PolarHBondContact O-N 3.23Å; V180-L194 HydrophobicContact CG2-CB 4.1Å; V180-L194 HydrophobicContact CG2-CD1 4.39Å; V180-R195 HydrophobicContact CG1-CG 4.06Å; V180-I198 HydrophobicContact CB-CD1 3.67Å; V180-I198 HydrophobicContact CG1-CD1 4.02Å; V180-I198 HydrophobicContact CG2-CD1 3.4Å; V180-I198 VanDerWaalsContact CG2-CD1 3.4Å
181	L	77.6	Confident	76.2	Confident	39 Å²	39	45.6 Å²	45.6	20%	0.204	24%	0.24	C	C	.	.	H	α-helix	trans	-66.2	-42.5	169.4	-73.4	171.9	0	0	0	111.5	Y109 L114 E177 T178 R184	Y109-L181 WeakPolarHBondContact O-CD2 3.23Å; L114-L181 HydrophobicContact CD1-CD1 3.78Å; L114-L181 HydrophobicContact CD2-CD1 4.38Å; L114-L181 HydrophobicContact CG-CD1 4.16Å; E177-L181 HydrophobicContact CG-CD1 3.96Å; E177-L181 HydrophobicContact CG-CG 4.29Å; E177-L181 WeakPolarHBondContact O-CB 3.24Å; E177-L181 VanDerWaalsContact O-CG 3.31Å; E177-L181 WeakPolarHBondContact O-CG 3.33Å; E177-L181 PolarHBondContact O-N 3.31Å; T178-L181 PolarHBondContact O-N 2.84Å; L181-R184 WeakPolarHBondContact O-CB 2.98Å; L181-R184 PolarHBondContact O-N 3.37Å
182	L	76.6	Confident	74.8	Confident	28 Å²	28	49.3 Å²	49.3	15%	0.147	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-54.9	170	-72.7	171.4	0	0	0	111.4	T178 R184 E185 I352 A355 V382	T178-L182 PolarHBondContact O-N 2.98Å; L182-R184 PolarHBondContact O-N 2.99Å; L182-E185 PolarHBondContact O-N 3.11Å; L182-I352 HydrophobicContact CD1-CG2 3.95Å; L182-A355 HydrophobicContact CB-CB 4.48Å; L182-A355 HydrophobicContact CD1-CB 3.96Å; L182-V382 HydrophobicContact CD1-CG1 3.81Å; L182-V382 HydrophobicContact CD2-CG1 4.13Å; L182-V382 HydrophobicContact CD2-CG2 4.1Å; L182-V382 HydrophobicContact CG-CG1 4.27Å
183	Q	74.9	Confident	73.8	Confident	54 Å²	54	54.5 Å²	54.5	25%	0.252	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-67.5	-0.9	-177.5	-69.3	177.2	-2.5	0	0	113.6	L179 E185 T186 N191	L179-Q183 HydrophobicContact CD1-CG 4.5Å; L179-Q183 WeakPolarHBondContact O-CB 3.38Å; L179-Q183 VanDerWaalsContact O-CG 3.27Å; L179-Q183 WeakPolarHBondContact O-CG 3.27Å; L179-Q183 PolarHBondContact O-N 3.46Å; Q183-E185 PolarHBondContact O-N 3.12Å; Q183-T186 CarbonylContact O-C 3.55Å; Q183-T186 PolarHBondContact O-N 2.88Å; Q183-T186 PolarHBondContact O-OG1 3.04Å; Q183-T186 VanDerWaalsContact O-OG1 3.09Å; Q183-N191 PolarHBondContact OE1-OD1 3.47Å
184	R	66.7	Low	72.7	Confident	81 Å²	81	56 Å²	56	31%	0.306	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-62.2	-30.2	175.2	-160.6	-175.8	-160.8	116.4	13.1	112.6	V180 L181 L182 T186 D200	V180-R184 PolarHBondContact O-N 3.23Å; L181-R184 WeakPolarHBondContact O-CB 2.98Å; L181-R184 PolarHBondContact O-N 3.37Å; L182-R184 PolarHBondContact O-N 2.99Å; R184-T186 VanDerWaalsContact C-N 3.3Å; R184-D200 IonicContact CZ-OD1 2.78Å; R184-D200 IonicContact CZ-OD2 2.78Å; R184-D200 IonicContact NH1-OD1 2.68Å; R184-D200 PolarHBondContact NH1-OD1 3.45Å; R184-D200 IonicContact NH1-OD2 2.7Å; R184-D200 IonicContact NH2-OD1 3.02Å; R184-D200 IonicContact NH2-OD2 2.69Å; R184-D200 PolarHBondContact NH2-OD2 2.98Å
185	E	61.2	Low	71.4	Confident	119 Å²	119	60.4 Å²	60.4	56%	0.556	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-76.3	-16.5	175.4	-59.5	-161.9	168.8	0	0	112.9	L182 Q183	L182-E185 PolarHBondContact O-N 3.11Å; Q183-E185 PolarHBondContact O-N 3.12Å
186	T	58.2	Low	70.4	Confident	40 Å²	40	70.7 Å²	70.7	25%	0.245	35%	0.354	C	S	.	.	S	Bend	trans	-104.1	116.1	176.9	58.5	0	0	0	0	110.8	Q183 R184 F188	Q183-T186 CarbonylContact O-C 3.55Å; Q183-T186 PolarHBondContact O-N 2.88Å; Q183-T186 PolarHBondContact O-OG1 3.04Å; Q183-T186 VanDerWaalsContact O-OG1 3.09Å; R184-T186 VanDerWaalsContact C-N 3.3Å; T186-F188 PolarHBondContact O-N 3.33Å
187	N	57.3	Low	69.6	Low	154 Å²	154	73.3 Å²	73.3	82%	0.824	37%	0.368	S	S	*	.			trans	-75.3	46.9	-172.6	-74.2	-46.7	0	0	0	114.4
188	F	58	Low	69.1	Low	132 Å²	132	73.6 Å²	73.6	58%	0.579	37%	0.369	S	S	*	.			trans	-73.6	126.5	176.4	-78.4	-75.6	0	0	0	112	T186 S190 N191	T186-F188 PolarHBondContact O-N 3.33Å; F188-S190 VanDerWaalsContact C-N 3.26Å; F188-S190 PolarHBondContact O-N 3.4Å; F188-N191 WeakPolarHBondContact O-CB 3.29Å; F188-N191 PolarHBondContact O-N 3.41Å
189	P	56.8	Low	68.6	Low	107 Å²	107	73.5 Å²	73.5	70%	0.695	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-19.8	-175.9	27.4	-35	0	0	0	113.8	N191 S192	P189-N191 PolarHBondContact O-N 2.87Å; P189-N191 VanDerWaalsContact O-N 3.15Å; P189-S192 WeakPolarHBondContact O-CB 3.19Å; P189-S192 PolarHBondContact O-N 2.83Å; P189-S192 PolarHBondContact O-OG 2.86Å
190	S	59.1	Low	68.2	Low	75 Å²	75	74.8 Å²	74.8	52%	0.524	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-21.9	172.4	50.6	0	0	0	0	113.5	F188 S192	F188-S190 VanDerWaalsContact C-N 3.26Å; F188-S190 PolarHBondContact O-N 3.4Å; S190-S192 PolarHBondContact O-N 3.44Å
191	N	64.3	Low	67.7	Low	2 Å²	2	75.1 Å²	75.1	1%	0.011	38%	0.38	C	S	.	.	H	α-helix	trans	-70.8	-9.8	179.2	-67.7	-20.5	0	0	0	113.5	Q183 F188 P189 R195	Q183-N191 PolarHBondContact OE1-OD1 3.47Å; F188-N191 WeakPolarHBondContact O-CB 3.29Å; F188-N191 PolarHBondContact O-N 3.41Å; P189-N191 PolarHBondContact O-N 2.87Å; P189-N191 VanDerWaalsContact O-N 3.15Å; N191-R195 VanDerWaalsContact O-CB 3.28Å; N191-R195 WeakPolarHBondContact O-CB 3.4Å; N191-R195 WeakPolarHBondContact O-CD 3.34Å; N191-R195 WeakPolarHBondContact O-CG 3.48Å; N191-R195 PolarHBondContact O-N 2.91Å
192	S	65.8	Low	67.9	Low	77 Å²	77	76.9 Å²	76.9	54%	0.538	39%	0.39	S	S	.	.	H	α-helix	trans	-58.9	-57.4	178.6	50	0	0	0	0	113.3	P189 S190 L194 R195 W196	P189-S192 WeakPolarHBondContact O-CB 3.19Å; P189-S192 PolarHBondContact O-N 2.83Å; P189-S192 PolarHBondContact O-OG 2.86Å; S190-S192 PolarHBondContact O-N 3.44Å; S192-L194 PolarHBondContact O-N 3.47Å; S192-R195 PolarHBondContact O-N 3.31Å; S192-W196 PolarHBondContact O-N 2.95Å
193	I	71.2	Confident	68.1	Low	124 Å²	124	80 Å²	80	64%	0.636	40%	0.404	S	S	*	.	H	α-helix	trans	-63.7	-43.6	179.8	-59.7	174.2	0	0	0	110.5	R195 W196 I197	I193-R195 PolarHBondContact O-N 3.46Å; I193-W196 WeakPolarHBondContact O-CB 3.49Å; I193-W196 PolarHBondContact O-N 3.39Å; I193-W196 VanDerWaalsContact O-N 3.14Å; I193-I197 HydrophobicContact CG2-CD1 4.24Å; I193-I197 PolarHBondContact O-N 3.19Å
194	L	69.4	Low	68.6	Low	59 Å²	59	83.8 Å²	83.8	31%	0.309	42%	0.419	S	S	.	.	H	α-helix	trans	-59.6	-46.5	178	-77.7	159.9	0	0	0	112	I176 V180 S192 W196 I197 I198	I176-L194 HydrophobicContact CG2-CD2 3.94Å; V180-L194 HydrophobicContact CG2-CB 4.1Å; V180-L194 HydrophobicContact CG2-CD1 4.39Å; S192-L194 PolarHBondContact O-N 3.47Å; L194-W196 PolarHBondContact O-N 3.31Å; L194-I197 PolarHBondContact O-N 3.31Å; L194-I197 VanDerWaalsContact O-N 3.11Å; L194-I198 HydrophobicContact CB-CD1 3.99Å; L194-I198 HydrophobicContact CD2-CD1 4.38Å; L194-I198 WeakPolarHBondContact O-CB 3.43Å; L194-I198 VanDerWaalsContact O-CD1 3.26Å; L194-I198 WeakPolarHBondContact O-CD1 3.28Å; L194-I198 WeakPolarHBondContact O-CG1 3.22Å; L194-I198 PolarHBondContact O-N 2.87Å
195	R	66.5	Low	69.6	Low	93 Å²	93	83 Å²	83	35%	0.351	42%	0.418	S	S	.	.	H	α-helix	trans	-60.1	-30.3	175.8	-76.3	170.4	-175.5	-176.7	4	113	V180 N191 S192 I193	V180-R195 HydrophobicContact CG1-CG 4.06Å; N191-R195 VanDerWaalsContact O-CB 3.28Å; N191-R195 WeakPolarHBondContact O-CB 3.4Å; N191-R195 WeakPolarHBondContact O-CD 3.34Å; N191-R195 WeakPolarHBondContact O-CG 3.48Å; N191-R195 PolarHBondContact O-N 2.91Å; S192-R195 PolarHBondContact O-N 3.31Å; I193-R195 PolarHBondContact O-N 3.46Å
196	W	69.1	Low	70.8	Confident	215 Å²	215	77.3 Å²	77.3	81%	0.814	39%	0.392	S	S	*	.	H	α-helix	trans	-69.3	-38.7	175.3	-163.4	84.3	0	0	0	112.1	S192 I193 L194 K205	S192-W196 PolarHBondContact O-N 2.95Å; I193-W196 WeakPolarHBondContact O-CB 3.49Å; I193-W196 PolarHBondContact O-N 3.39Å; I193-W196 VanDerWaalsContact O-N 3.14Å; L194-W196 PolarHBondContact O-N 3.31Å; W196-K205 PolarHBondContact O-NZ 3.16Å
197	I	73.3	Confident	72.4	Confident	101 Å²	101	78.9 Å²	78.9	52%	0.518	40%	0.398	S	S	.	.	H	α-helix	trans	-74	-41.3	177.9	-62.5	167.3	0	0	0	111.7	I193 L194 I209	I193-I197 HydrophobicContact CG2-CD1 4.24Å; I193-I197 PolarHBondContact O-N 3.19Å; L194-I197 PolarHBondContact O-N 3.31Å; L194-I197 VanDerWaalsContact O-N 3.11Å; I197-I209 WeakPolarHBondContact O-CD1 3.3Å
198	I	76.4	Confident	74	Confident	8 Å²	8	80.4 Å²	80.4	4%	0.041	39%	0.392	C	S	.	.	S	Bend	trans	-77.3	156.2	-170.6	-65.6	162.4	0	0	0	112.5	I176 E177 V180 L194 D200 K205	I176-I198 HydrophobicContact CG2-CD1 3.46Å; I176-I198 VanDerWaalsContact CG2-CD1 3.46Å; I176-I198 HydrophobicContact CG2-CG1 3.77Å; E177-I198 HydrophobicContact CB-CG2 3.78Å; E177-I198 HydrophobicContact CG-CG2 3.71Å; V180-I198 HydrophobicContact CB-CD1 3.67Å; V180-I198 HydrophobicContact CG1-CD1 4.02Å; V180-I198 HydrophobicContact CG2-CD1 3.4Å; V180-I198 VanDerWaalsContact CG2-CD1 3.4Å; L194-I198 HydrophobicContact CB-CD1 3.99Å; L194-I198 HydrophobicContact CD2-CD1 4.38Å; L194-I198 WeakPolarHBondContact O-CB 3.43Å; L194-I198 VanDerWaalsContact O-CD1 3.26Å; L194-I198 WeakPolarHBondContact O-CD1 3.28Å; L194-I198 WeakPolarHBondContact O-CG1 3.22Å; L194-I198 PolarHBondContact O-N 2.87Å; I198-D200 VanDerWaalsContact C-N 3.28Å; I198-D200 PolarHBondContact O-N 3.34Å; I198-K205 WeakPolarHBondContact O-CE 3.25Å; I198-K205 PolarHBondContact O-NZ 3.11Å
199	A	73.7	Confident	75.6	Confident	1 Å²	1	75.7 Å²	75.7	1%	0.008	37%	0.373	C	S	.	.			trans	-69.7	-19.1	-177.9	0	0	0	0	0	114.8	Y117 E177 G201 N202 K205 I209	Y117-A199 HydrophobicContact CE2-CB 4.42Å; E177-A199 WeakPolarHBondContact OE1-CB 3.15Å; A199-G201 VanDerWaalsContact C-N 3.29Å; A199-G201 PolarHBondContact O-N 3.42Å; A199-N202 VanDerWaalsContact O-CB 3.22Å; A199-N202 WeakPolarHBondContact O-CB 3.39Å; A199-N202 PolarHBondContact O-N 3.15Å; A199-K205 HydrophobicContact CB-CB 4.22Å; A199-K205 HydrophobicContact CB-CG 4.47Å; A199-I209 HydrophobicContact CB-CD1 4.03Å
200	D	75.3	Confident	77.3	Confident	55 Å²	55	70.6 Å²	70.6	29%	0.294	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	46.2	-173.7	-158.5	29.6	0	0	0	113.1	E177 R184 I198 N202	E177-D200 PolarHBondContact OE1-N 2.97Å; R184-D200 IonicContact CZ-OD1 2.78Å; R184-D200 IonicContact CZ-OD2 2.78Å; R184-D200 IonicContact NH1-OD1 2.68Å; R184-D200 PolarHBondContact NH1-OD1 3.45Å; R184-D200 IonicContact NH1-OD2 2.7Å; R184-D200 IonicContact NH2-OD1 3.02Å; R184-D200 IonicContact NH2-OD2 2.69Å; R184-D200 PolarHBondContact NH2-OD2 2.98Å; I198-D200 VanDerWaalsContact C-N 3.28Å; I198-D200 PolarHBondContact O-N 3.34Å; D200-N202 PolarHBondContact O-N 3.3Å; D200-N202 VanDerWaalsContact O-N 3.17Å
201	G	70	Confident	79	Confident	13 Å²	13	71.4 Å²	71.4	13%	0.134	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	-10.5	-176.7	0	0	0	0	0	115.6	G110 S113 E177 A199 H203	G110-G201 VanDerWaalsContact CA-CA 3.43Å; S113-G201 WeakPolarHBondContact OG-CA 3.47Å; S113-G201 PolarHBondContact OG-N 3.48Å; E177-G201 PolarHBondContact OE1-N 3.48Å; A199-G201 VanDerWaalsContact C-N 3.29Å; A199-G201 PolarHBondContact O-N 3.42Å; G201-H203 PolarHBondContact O-N 3.15Å
202	N	81.3	Confident	80.4	Confident	77 Å²	77	73.1 Å²	73.1	41%	0.412	36%	0.355	S	S	.	.			trans	-78.7	104.2	-176.1	-172.8	-16.7	0	0	0	111.3	A199 D200 K204 K205 S206	A199-N202 VanDerWaalsContact O-CB 3.22Å; A199-N202 WeakPolarHBondContact O-CB 3.39Å; A199-N202 PolarHBondContact O-N 3.15Å; D200-N202 PolarHBondContact O-N 3.3Å; D200-N202 VanDerWaalsContact O-N 3.17Å; N202-K204 VanDerWaalsContact C-N 3.26Å; N202-K204 PolarHBondContact O-N 3.38Å; N202-K204 PolarHBondContact OD1-N 3.33Å; N202-K205 HydrophobicContact CB-CB 4.02Å; N202-K205 WeakPolarHBondContact O-CA 3.18Å; N202-K205 WeakPolarHBondContact O-CB 3.32Å; N202-K205 PolarHBondContact O-N 3.27Å; N202-S206 PolarHBondContact O-N 2.96Å
203	H	82.4	Confident	81.7	Confident	94 Å²	94	70.3 Å²	70.3	44%	0.435	33%	0.334	S	S	.	.	H	α-helix	trans	-47.5	-41.5	174.7	68.7	-74.9	0	0	0	114.2	I116 G201 K205 S206 I207	I116-H203 HydrophobicContact CD1-CB 3.57Å; G201-H203 PolarHBondContact O-N 3.15Å; H203-K205 VanDerWaalsContact C-N 3.32Å; H203-K205 PolarHBondContact O-N 2.96Å; H203-S206 PolarHBondContact O-N 3.43Å; H203-I207 WeakPolarHBondContact O-CG1 3.25Å; H203-I207 PolarHBondContact O-N 3.31Å; H203-I207 VanDerWaalsContact O-N 3.08Å
204	K	85.2	Confident	82.9	Confident	133 Å²	133	67.7 Å²	67.7	58%	0.578	32%	0.321	S	S	*	.	H	α-helix	trans	-67.1	-32.7	177.9	-62.5	-170.4	179.2	-179.3	0	112	N202 R208	N202-K204 VanDerWaalsContact C-N 3.26Å; N202-K204 PolarHBondContact O-N 3.38Å; N202-K204 PolarHBondContact OD1-N 3.33Å; K204-R208 WeakPolarHBondContact O-CG 3.17Å; K204-R208 PolarHBondContact O-N 3.03Å
205	K	87.3	Confident	84	Confident	64 Å²	64	70.2 Å²	70.2	28%	0.278	33%	0.334	S	S	.	.	H	α-helix	trans	-76.4	-41.2	176.9	-166.3	174.7	173.4	-166.5	0	111.2	W196 I198 A199 N202 H203 I207 R208 I209	W196-K205 PolarHBondContact O-NZ 3.16Å; I198-K205 WeakPolarHBondContact O-CE 3.25Å; I198-K205 PolarHBondContact O-NZ 3.11Å; A199-K205 HydrophobicContact CB-CB 4.22Å; A199-K205 HydrophobicContact CB-CG 4.47Å; N202-K205 HydrophobicContact CB-CB 4.02Å; N202-K205 WeakPolarHBondContact O-CA 3.18Å; N202-K205 WeakPolarHBondContact O-CB 3.32Å; N202-K205 PolarHBondContact O-N 3.27Å; H203-K205 VanDerWaalsContact C-N 3.32Å; H203-K205 PolarHBondContact O-N 2.96Å; K205-I207 PolarHBondContact O-N 3.01Å; K205-R208 PolarHBondContact O-N 2.7Å; K205-I209 HydrophobicContact CG-CD1 3.92Å; K205-I209 HydrophobicContact CG-CG1 4.49Å; K205-I209 WeakPolarHBondContact O-CG1 3.16Å; K205-I209 PolarHBondContact O-N 2.84Å
206	S	87.4	Confident	85.3	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-59	-42.7	174.6	163.8	0	0	0	0	113.1	S113 Y117 N202 H203 I209 S210	S113-S206 VanDerWaalsContact CB-CB 3.4Å; S113-S206 PolarHBondContact O-OG 3.26Å; Y117-S206 WeakPolarHBondContact CE2-OG 3.4Å; N202-S206 PolarHBondContact O-N 2.96Å; H203-S206 PolarHBondContact O-N 3.43Å; S206-I209 PolarHBondContact O-N 3.48Å; S206-S210 WeakPolarHBondContact O-CB 3.3Å; S206-S210 PolarHBondContact O-N 3.42Å; S206-S210 PolarHBondContact O-OG 3.39Å
207	I	89.7	Confident	86.5	Confident	73 Å²	73	60.6 Å²	60.6	37%	0.374	31%	0.305	S	S	.	.	H	α-helix	trans	-60.3	-47.4	174	-67	167	0	0	0	111	I116 H203 K205 I209 S210 I211	I116-I207 HydrophobicContact CD1-CD1 4.18Å; I116-I207 HydrophobicContact CD1-CG1 4.13Å; I116-I207 HydrophobicContact CG2-CG1 3.92Å; H203-I207 WeakPolarHBondContact O-CG1 3.25Å; H203-I207 PolarHBondContact O-N 3.31Å; H203-I207 VanDerWaalsContact O-N 3.08Å; K205-I207 PolarHBondContact O-N 3.01Å; I207-I209 PolarHBondContact O-N 3.11Å; I207-S210 PolarHBondContact O-N 3.17Å; I207-I211 HydrophobicContact CG2-CD1 3.77Å; I207-I211 HydrophobicContact CG2-CG1 4.5Å; I207-I211 WeakPolarHBondContact O-CG1 3.4Å; I207-I211 PolarHBondContact O-N 2.91Å
208	R	92.1	Very high	87.4	Confident	185 Å²	185	56.8 Å²	56.8	70%	0.698	29%	0.291	S	S	*	.	H	α-helix	trans	-61.2	-43.9	177.8	-68.2	176.9	-163.7	-171.9	2.8	112.7	K204 K205 S210 I211 G212	K204-R208 WeakPolarHBondContact O-CG 3.17Å; K204-R208 PolarHBondContact O-N 3.03Å; K205-R208 PolarHBondContact O-N 2.7Å; R208-S210 VanDerWaalsContact C-N 3.33Å; R208-S210 PolarHBondContact O-N 3.45Å; R208-I211 PolarHBondContact O-N 3.45Å; R208-G212 PolarHBondContact O-N 3.37Å
209	I	91.6	Very high	88.1	Confident	34 Å²	34	62 Å²	62	17%	0.174	32%	0.317	C	S	.	.	H	α-helix	trans	-61.4	-44.1	176.7	-68.7	161.1	0	0	0	110.1	Y117 T173 I197 A199 K205 S206 I207 I211 G212 I213	Y117-I209 HydrophobicContact CE1-CG2 4.33Å; Y117-I209 WeakPolarHBondContact OH-CD1 3.33Å; Y117-I209 WeakPolarHBondContact OH-CG2 3.36Å; T173-I209 HydrophobicContact CG2-CG2 3.9Å; I197-I209 WeakPolarHBondContact O-CD1 3.3Å; A199-I209 HydrophobicContact CB-CD1 4.03Å; K205-I209 HydrophobicContact CG-CD1 3.92Å; K205-I209 HydrophobicContact CG-CG1 4.49Å; K205-I209 WeakPolarHBondContact O-CG1 3.16Å; K205-I209 PolarHBondContact O-N 2.84Å; S206-I209 PolarHBondContact O-N 3.48Å; I207-I209 PolarHBondContact O-N 3.11Å; I209-I211 PolarHBondContact O-N 3.05Å; I209-G212 PolarHBondContact O-N 3.14Å; I209-I213 HydrophobicContact CG2-CD1 3.74Å; I209-I213 HydrophobicContact CG2-CG1 4.47Å; I209-I213 WeakPolarHBondContact O-CG1 3.31Å; I209-I213 PolarHBondContact O-N 3.37Å
210	S	92.7	Very high	88.8	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-63.9	-41.8	179.2	-53.9	0	0	0	0	112.2	Y117 I120 S206 I207 R208 I213 L214	Y117-S210 WeakPolarHBondContact CD1-OG 3.29Å; Y117-S210 WeakPolarHBondContact CE1-OG 3.47Å; I120-S210 VanDerWaalsContact CD1-CB 3.48Å; I120-S210 WeakPolarHBondContact CD1-OG 3.48Å; S206-S210 WeakPolarHBondContact O-CB 3.3Å; S206-S210 PolarHBondContact O-N 3.42Å; S206-S210 PolarHBondContact O-OG 3.39Å; I207-S210 PolarHBondContact O-N 3.17Å; R208-S210 VanDerWaalsContact C-N 3.33Å; R208-S210 PolarHBondContact O-N 3.45Å; S210-I213 PolarHBondContact O-N 3.36Å; S210-L214 WeakPolarHBondContact O-CD1 3.34Å; S210-L214 VanDerWaalsContact O-CG 3.27Å; S210-L214 WeakPolarHBondContact O-CG 3.37Å; S210-L214 PolarHBondContact O-N 2.84Å
211	I	93.8	Very high	89.5	Confident	91 Å²	91	61.3 Å²	61.3	47%	0.467	31%	0.311	S	S	.	.	H	α-helix	trans	-62.9	-43.4	173.6	-67.8	166	0	0	0	110.7	I207 R208 I209 I213 L214 L215	I207-I211 HydrophobicContact CG2-CD1 3.77Å; I207-I211 HydrophobicContact CG2-CG1 4.5Å; I207-I211 WeakPolarHBondContact O-CG1 3.4Å; I207-I211 PolarHBondContact O-N 2.91Å; R208-I211 PolarHBondContact O-N 3.45Å; I209-I211 PolarHBondContact O-N 3.05Å; I211-I213 VanDerWaalsContact C-N 3.34Å; I211-I213 PolarHBondContact O-N 3.44Å; I211-L214 PolarHBondContact O-N 3.23Å; I211-L215 HydrophobicContact CG2-CD1 4Å; I211-L215 HydrophobicContact CG2-CG 4.42Å; I211-L215 WeakPolarHBondContact O-CG 3.4Å; I211-L215 PolarHBondContact O-N 3.36Å
212	G	93.7	Very high	90.4	Very high	39 Å²	39	66.8 Å²	66.8	40%	0.402	33%	0.332	S	S	.	.	H	α-helix	trans	-60.8	-40.2	175.7	0	0	0	0	0	113.2	R208 I209 L216	R208-G212 PolarHBondContact O-N 3.37Å; I209-G212 PolarHBondContact O-N 3.14Å; G212-L216 WeakPolarHBondContact O-CB 3.39Å; G212-L216 PolarHBondContact O-N 3.31Å
213	I	94.6	Very high	90.6	Very high	18 Å²	18	67 Å²	67	9%	0.092	33%	0.332	C	S	.	.	H	α-helix	trans	-64.6	-43.5	174.6	-71.8	163.6	0	0	0	111.3	L169 I170 T173 I209 S210 I211 L216 A217	L169-I213 HydrophobicContact CB-CG2 3.47Å; L169-I213 VanDerWaalsContact CB-CG2 3.47Å; L169-I213 HydrophobicContact CD1-CG2 4.13Å; L169-I213 HydrophobicContact CG-CG2 4.46Å; I170-I213 HydrophobicContact CD1-CB 4.31Å; I170-I213 HydrophobicContact CD1-CD1 3.9Å; I170-I213 HydrophobicContact CD1-CG2 4.09Å; I170-I213 HydrophobicContact CG1-CG2 4.04Å; T173-I213 HydrophobicContact CG2-CD1 4.23Å; T173-I213 WeakPolarHBondContact OG1-CD1 3.24Å; I209-I213 HydrophobicContact CG2-CD1 3.74Å; I209-I213 HydrophobicContact CG2-CG1 4.47Å; I209-I213 WeakPolarHBondContact O-CG1 3.31Å; I209-I213 PolarHBondContact O-N 3.37Å; S210-I213 PolarHBondContact O-N 3.36Å; I211-I213 VanDerWaalsContact C-N 3.34Å; I211-I213 PolarHBondContact O-N 3.44Å; I213-L216 PolarHBondContact O-N 2.95Å; I213-A217 VanDerWaalsContact O-CB 3.31Å; I213-A217 WeakPolarHBondContact O-CB 3.45Å; I213-A217 PolarHBondContact O-N 3.46Å
214	L	94.7	Very high	90.5	Very high	69 Å²	69	63.5 Å²	63.5	36%	0.361	32%	0.316	S	S	.	.	H	α-helix	trans	-64.1	-42.4	177.8	-72.1	163.9	0	0	0	112	L124 A166 S210 I211 G218	L124-L214 HydrophobicContact CD1-CD2 4.13Å; L124-L214 HydrophobicContact CD2-CD2 3.58Å; L124-L214 HydrophobicContact CG-CD2 4.47Å; A166-L214 HydrophobicContact CB-CD2 3.74Å; S210-L214 WeakPolarHBondContact O-CD1 3.34Å; S210-L214 VanDerWaalsContact O-CG 3.27Å; S210-L214 WeakPolarHBondContact O-CG 3.37Å; S210-L214 PolarHBondContact O-N 2.84Å; I211-L214 PolarHBondContact O-N 3.23Å; L214-G218 PolarHBondContact O-N 2.85Å
215	L	94.4	Very high	90.3	Very high	112 Å²	112	59.8 Å²	59.8	59%	0.586	30%	0.302	S	S	*	.	H	α-helix	trans	-64.5	-44.3	174.8	-69.8	171.8	0	0	0	111.7	I211 G218 I219	I211-L215 HydrophobicContact CG2-CD1 4Å; I211-L215 HydrophobicContact CG2-CG 4.42Å; I211-L215 WeakPolarHBondContact O-CG 3.4Å; I211-L215 PolarHBondContact O-N 3.36Å; L215-G218 PolarHBondContact O-N 2.86Å; L215-I219 WeakPolarHBondContact O-CB 3.23Å; L215-I219 WeakPolarHBondContact O-CD1 3.29Å; L215-I219 VanDerWaalsContact O-CG1 3.23Å; L215-I219 WeakPolarHBondContact O-CG1 3.4Å; L215-I219 PolarHBondContact O-N 2.87Å
216	L	93.5	Very high	90	Very high	105 Å²	105	61 Å²	61	55%	0.55	31%	0.314	S	S	.	.	H	α-helix	trans	-62.1	-43.8	177.1	-179.9	63.3	0	0	0	112	G212 I213 I219 Y220	G212-L216 WeakPolarHBondContact O-CB 3.39Å; G212-L216 PolarHBondContact O-N 3.31Å; I213-L216 PolarHBondContact O-N 2.95Å; L216-I219 PolarHBondContact O-N 3.45Å; L216-Y220 PolarHBondContact O-N 2.85Å
217	A	93.1	Very high	89.6	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-67.2	-37	178.8	0	0	0	0	0	112.3	G162 L165 A166 I213 Y220 S221	G162-A217 WeakPolarHBondContact O-CB 3.45Å; L165-A217 HydrophobicContact CB-CB 4.17Å; L165-A217 HydrophobicContact CD2-CB 4.18Å; L165-A217 HydrophobicContact CG-CB 4.03Å; A166-A217 HydrophobicContact CB-CB 3.83Å; I213-A217 VanDerWaalsContact O-CB 3.31Å; I213-A217 WeakPolarHBondContact O-CB 3.45Å; I213-A217 PolarHBondContact O-N 3.46Å; A217-Y220 PolarHBondContact O-N 2.63Å; A217-S221 PolarHBondContact O-N 3.42Å; A217-S221 PolarHBondContact O-OG 3.28Å
218	G	92	Very high	89	Confident	22 Å²	22	60.8 Å²	60.8	23%	0.227	31%	0.309	C	S	.	.	H	α-helix	trans	-65.3	-45.8	171.4	0	0	0	0	0	112.8	L214 L215 Y220 S221 F222	L214-G218 PolarHBondContact O-N 2.85Å; L215-G218 PolarHBondContact O-N 2.86Å; G218-Y220 PolarHBondContact O-N 3.2Å; G218-S221 PolarHBondContact O-N 3.48Å; G218-S221 VanDerWaalsContact O-N 3.1Å; G218-S221 PolarHBondContact O-OG 3.3Å; G218-S221 VanDerWaalsContact O-OG 3.11Å; G218-F222 WeakPolarHBondContact O-CD2 3.42Å; G218-F222 PolarHBondContact O-N 2.98Å
219	I	92	Very high	88.1	Confident	116 Å²	116	58.2 Å²	58.2	60%	0.595	30%	0.299	S	S	*	.	H	α-helix	trans	-56.7	-40.3	175.5	-72.1	163.9	0	0	0	111.2	L215 L216	L215-I219 WeakPolarHBondContact O-CB 3.23Å; L215-I219 WeakPolarHBondContact O-CD1 3.29Å; L215-I219 VanDerWaalsContact O-CG1 3.23Å; L215-I219 WeakPolarHBondContact O-CG1 3.4Å; L215-I219 PolarHBondContact O-N 2.87Å; L216-I219 PolarHBondContact O-N 3.45Å
220	Y	89	Confident	86.9	Confident	41 Å²	41	57.5 Å²	57.5	16%	0.161	30%	0.296	C	S	.	.	H	α-helix	trans	-63.8	-48.4	173.5	174.9	-94.1	0	0	0	112.2	T161 L165 L216 A217 G218 F222 I223 Y329 T333 I337	T161-Y220 HydrophobicContact CG2-CD1 4.46Å; T161-Y220 HydrophobicContact CG2-CE1 4.06Å; L165-Y220 HydrophobicContact CD2-CD1 3.37Å; L165-Y220 HydrophobicContact CD2-CD2 4.45Å; L165-Y220 HydrophobicContact CD2-CE1 4.04Å; L165-Y220 HydrophobicContact CD2-CG 3.61Å; L216-Y220 PolarHBondContact O-N 2.85Å; A217-Y220 PolarHBondContact O-N 2.63Å; G218-Y220 PolarHBondContact O-N 3.2Å; Y220-F222 VanDerWaalsContact C-N 3.29Å; Y220-F222 PolarHBondContact O-N 2.82Å; Y220-I223 HydrophobicContact CD2-CD1 4.42Å; Y220-I223 VanDerWaalsContact O-CB 3.29Å; Y220-I223 WeakPolarHBondContact O-CB 3.27Å; Y220-I223 VanDerWaalsContact O-CG1 3.27Å; Y220-I223 WeakPolarHBondContact O-CG1 3.33Å; Y220-I223 PolarHBondContact O-N 3.49Å; Y220-I223 VanDerWaalsContact O-N 3.11Å; Y220-Y329 PolarHBondContact OH-OH 3.29Å; Y220-T333 WeakPolarHBondContact OH-CB 3.36Å; Y220-T333 WeakPolarHBondContact OH-CG2 3.5Å; Y220-I337 HydrophobicContact CD2-CD1 4.32Å; Y220-I337 HydrophobicContact CE2-CD1 3.38Å
221	S	89.1	Confident	85.7	Confident	2 Å²	2	60 Å²	60	1%	0.014	31%	0.307	C	S	.	.	H	α-helix	trans	-72.4	-17.7	-175	64.3	0	0	0	0	114.7	C158 G162 A217 G218 I223 E224	C158-S221 WeakPolarHBondContact O-CB 3.32Å; C158-S221 PolarHBondContact O-OG 3.38Å; C158-S221 PolarHBondContact SG-O 3.46Å; C158-S221 VanDerWaalsContact SG-O 3.4Å; C158-S221 PolarHBondContact SG-OG 2.96Å; G162-S221 WeakPolarHBondContact CA-OG 3.4Å; G162-S221 VanDerWaalsContact N-CB 3.35Å; A217-S221 PolarHBondContact O-N 3.42Å; A217-S221 PolarHBondContact O-OG 3.28Å; G218-S221 PolarHBondContact O-N 3.48Å; G218-S221 VanDerWaalsContact O-N 3.1Å; G218-S221 PolarHBondContact O-OG 3.3Å; G218-S221 VanDerWaalsContact O-OG 3.11Å; S221-I223 PolarHBondContact O-N 3.35Å; S221-I223 VanDerWaalsContact O-N 3.16Å; S221-E224 PolarHBondContact O-N 2.9Å
222	F	89.2	Confident	84.3	Confident	128 Å²	128	61.1 Å²	61.1	56%	0.561	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-56.5	-24.6	167.3	-85.1	-72.6	0	0	0	113.1	G218 Y220 E224 I225	G218-F222 WeakPolarHBondContact O-CD2 3.42Å; G218-F222 PolarHBondContact O-N 2.98Å; Y220-F222 VanDerWaalsContact C-N 3.29Å; Y220-F222 PolarHBondContact O-N 2.82Å; F222-E224 VanDerWaalsContact C-N 3.25Å; F222-E224 PolarHBondContact O-N 2.89Å; F222-I225 HydrophobicContact CD1-CD1 3.61Å; F222-I225 HydrophobicContact CE1-CD1 4.02Å; F222-I225 PolarHBondContact O-N 2.87Å
223	I	84.9	Confident	82.8	Confident	80 Å²	80	60.2 Å²	60.2	41%	0.41	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-62.7	-33.8	174.9	-59.8	171.2	0	0	0	111	Y220 S221 I225 V226 Y227 Y329	Y220-I223 HydrophobicContact CD2-CD1 4.42Å; Y220-I223 VanDerWaalsContact O-CB 3.29Å; Y220-I223 WeakPolarHBondContact O-CB 3.27Å; Y220-I223 VanDerWaalsContact O-CG1 3.27Å; Y220-I223 WeakPolarHBondContact O-CG1 3.33Å; Y220-I223 PolarHBondContact O-N 3.49Å; Y220-I223 VanDerWaalsContact O-N 3.11Å; S221-I223 PolarHBondContact O-N 3.35Å; S221-I223 VanDerWaalsContact O-N 3.16Å; I223-I225 VanDerWaalsContact C-N 3.33Å; I223-I225 PolarHBondContact O-N 3.44Å; I223-V226 PolarHBondContact O-N 3.37Å; I223-Y227 HydrophobicContact CG2-CE2 4.46Å; I223-Y329 HydrophobicContact CG2-CD2 4.35Å; I223-Y329 HydrophobicContact CG2-CE2 3.82Å
224	E	80.3	Confident	81.1	Confident	21 Å²	21	63.6 Å²	63.6	10%	0.098	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-75	-20.8	-176	-58.4	-154.8	155.5	0	0	113.9	T161 S221 F222 V226 Y227 W228 Y329	T161-E224 VanDerWaalsContact CB-OE2 3.24Å; T161-E224 WeakPolarHBondContact CB-OE2 3.06Å; T161-E224 PolarHBondContact OG1-OE2 3.12Å; S221-E224 PolarHBondContact O-N 2.9Å; F222-E224 VanDerWaalsContact C-N 3.25Å; F222-E224 PolarHBondContact O-N 2.89Å; E224-V226 PolarHBondContact O-N 3.35Å; E224-V226 VanDerWaalsContact O-N 3.11Å; E224-Y227 PolarHBondContact O-N 2.87Å; E224-W228 PolarHBondContact O-N 3.16Å; E224-Y329 HydrophobicContact CG-CE1 4.15Å; E224-Y329 WeakPolarHBondContact CG-OH 3.14Å; E224-Y329 WeakPolarHBondContact OE1-CE1 3.3Å; E224-Y329 PolarHBondContact OE1-OH 3.15Å
225	I	82	Confident	79.3	Confident	56 Å²	56	62.7 Å²	62.7	29%	0.287	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-57.4	-28.3	176.8	-61.4	-170.2	0	0	0	111.6	P154 C158 F222 I223 Y227	P154-I225 HydrophobicContact CB-CB 4.46Å; P154-I225 HydrophobicContact CB-CG2 3.94Å; C158-I225 HydrophobicContact CB-CD1 3.95Å; C158-I225 HydrophobicContact CB-CG1 3.64Å; F222-I225 HydrophobicContact CD1-CD1 3.61Å; F222-I225 HydrophobicContact CE1-CD1 4.02Å; F222-I225 PolarHBondContact O-N 2.87Å; I223-I225 VanDerWaalsContact C-N 3.33Å; I223-I225 PolarHBondContact O-N 3.44Å; I225-Y227 VanDerWaalsContact C-N 3.28Å; I225-Y227 PolarHBondContact O-N 3.28Å
226	V	80.3	Confident	77.2	Confident	89 Å²	89	61.6 Å²	61.6	54%	0.539	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-67.6	-29.1	179.1	-175.8	0	0	0	0	112.4	I223 E224	I223-V226 PolarHBondContact O-N 3.37Å; E224-V226 PolarHBondContact O-N 3.35Å; E224-V226 VanDerWaalsContact O-N 3.11Å
227	Y	79.5	Confident	75.3	Confident	29 Å²	29	60.9 Å²	60.9	11%	0.114	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-27.6	-172.4	-59.1	-64.4	0	0	0	114.1	I223 E224 I225 A292 L322 Y326 Y329	I223-Y227 HydrophobicContact CG2-CE2 4.46Å; E224-Y227 PolarHBondContact O-N 2.87Å; I225-Y227 VanDerWaalsContact C-N 3.28Å; I225-Y227 PolarHBondContact O-N 3.28Å; Y227-A292 WeakPolarHBondContact O-CB 3.39Å; Y227-A292 PolarHBondContact O-N 3.11Å; Y227-L322 HydrophobicContact CD1-CD1 4Å; Y227-L322 HydrophobicContact CD1-CG 4.48Å; Y227-L322 HydrophobicContact CE1-CD1 4.01Å; Y227-Y326 AromaticContact CD1-CD2 3.66Å; Y227-Y326 HydrophobicContact CD1-CD2 3.66Å; Y227-Y326 HydrophobicContact CD1-CG 4.29Å; Y227-Y326 AromaticContact CD2-CD2 3.74Å; Y227-Y326 HydrophobicContact CD2-CD2 3.74Å; Y227-Y326 HydrophobicContact CD2-CE2 4.12Å; Y227-Y326 HydrophobicContact CE1-CD2 4.21Å; Y227-Y326 HydrophobicContact CE2-CD2 4.28Å; Y227-Y326 AromaticContact CG-CD2 3.4Å; Y227-Y326 HydrophobicContact CG-CD2 3.4Å; Y227-Y326 AromaticContact CG-CE2 3.96Å; Y227-Y326 HydrophobicContact CG-CE2 3.96Å; Y227-Y326 HydrophobicContact CG-CG 4.42Å; Y227-Y329 HydrophobicContact CD2-CD1 4.29Å; Y227-Y329 AromaticContact CE2-CD1 3.85Å; Y227-Y329 HydrophobicContact CE2-CD1 3.85Å; Y227-Y329 HydrophobicContact CE2-CD2 4.14Å; Y227-Y329 HydrophobicContact CE2-CE1 4.3Å; Y227-Y329 AromaticContact CE2-CG 3.78Å; Y227-Y329 HydrophobicContact CE2-CG 3.78Å
228	W	76.6	Confident	73.4	Confident	40 Å²	40	62.8 Å²	62.8	15%	0.152	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	134.9	177.6	-71.4	103.3	0	0	0	111.7	P154 H157 E224 V291	P154-W228 HydrophobicContact CB-CB 4Å; P154-W228 HydrophobicContact CG-CB 4.14Å; P154-W228 WeakPolarHBondContact CG-O 3.5Å; H157-W228 HydrophobicContact CB-CD2 4.01Å; H157-W228 HydrophobicContact CB-CG 3.95Å; H157-W228 HydrophobicContact CB-CZ2 4.32Å; H157-W228 AromaticContact CD2-CD2 3.4Å; H157-W228 AromaticContact CD2-CE2 3.67Å; H157-W228 AromaticContact CD2-CE3 3.46Å; H157-W228 VanDerWaalsContact CD2-CE3 3.46Å; H157-W228 AromaticContact CD2-CG 3.92Å; H157-W228 AromaticContact CD2-CZ2 3.98Å; H157-W228 AromaticContact CD2-CZ3 3.76Å; H157-W228 AromaticContact CE1-CH2 3.72Å; H157-W228 AromaticContact CE1-CZ2 3.95Å; H157-W228 AromaticContact CE1-CZ3 3.99Å; H157-W228 AromaticContact CG-CD2 3.72Å; H157-W228 AromaticContact CG-CE2 3.5Å; H157-W228 AromaticContact CG-CZ2 3.77Å; H157-W228 AromaticContact CG-NE1 3.8Å; H157-W228 AromaticContact ND1-CE2 3.97Å; H157-W228 AromaticContact ND1-CZ2 3.74Å; H157-W228 AromaticContact NE2-CE3 3.7Å; H157-W228 AromaticContact NE2-CH2 3.73Å; H157-W228 AromaticContact NE2-CZ3 3.51Å; E224-W228 PolarHBondContact O-N 3.16Å; W228-V291 HydrophobicContact CD2-CG2 4.25Å; W228-V291 HydrophobicContact CE3-CG2 3.89Å; W228-V291 HydrophobicContact CH2-CG2 3.64Å; W228-V291 HydrophobicContact CZ2-CG2 3.98Å; W228-V291 HydrophobicContact CZ3-CG2 3.59Å
229	R	72.4	Confident	71.5	Confident	131 Å²	131	68 Å²	68	49%	0.494	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	161.1	175.1	-64.4	-170.8	-166.9	178.7	3.2	111.2	E290 A292	R229-E290 PolarHBondContact N-O 3.45Å; R229-E290 PolarHBondContact O-N 2.99Å; R229-A292 HydrophobicContact CB-CB 4.3Å; R229-A292 HydrophobicContact CG-CB 3.79Å
230	I	67.5	Low	69.6	Low	19 Å²	19	68 Å²	68	10%	0.097	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	126.4	174.9	-46.8	-158.9	0	0	0	107.9	L146 A147 N149 C153 Y232 A287	L146-I230 WeakPolarHBondContact O-CD1 3.23Å; A147-I230 HydrophobicContact CB-CG2 3.75Å; N149-I230 VanDerWaalsContact O-CD1 3.32Å; N149-I230 WeakPolarHBondContact O-CD1 3.23Å; C153-I230 HydrophobicContact CB-CD1 3.79Å; C153-I230 HydrophobicContact CB-CG1 4.02Å; I230-Y232 HydrophobicContact CB-CE2 4.35Å; I230-Y232 HydrophobicContact CG2-CE2 4.08Å; I230-A287 HydrophobicContact CG2-CB 4.46Å
231	Q	68.2	Low	67.8	Low	51 Å²	51	69.4 Å²	69.4	24%	0.238	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.9	174.4	-71.7	-172.8	41.7	0	0	109.4	Y233 A287 R288 E290	Q231-Y233 HydrophobicContact CB-CE1 3.9Å; Q231-Y233 HydrophobicContact CB-CE2 4.4Å; Q231-Y233 PolarHBondContact OE1-OH 3.33Å; Q231-A287 WeakPolarHBondContact O-CA 3.37Å; Q231-R288 PolarHBondContact N-O 2.84Å; Q231-R288 PolarHBondContact O-N 3.23Å; Q231-E290 HydrophobicContact CG-CB 4.29Å; Q231-E290 PolarHBondContact NE2-OE2 3.32Å; Q231-E290 PolarHBondContact OE1-OE2 3.4Å
232	Y	63.3	Low	66	Low	116 Å²	116	73.8 Å²	73.8	46%	0.455	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	121.5	176.1	-63.4	-91.9	0	0	0	109.3	A147 N150 I230 A287	A147-Y232 PolarHBondContact O-OH 2.95Å; N150-Y232 VanDerWaalsContact OD1-CE2 3.29Å; N150-Y232 WeakPolarHBondContact OD1-CE2 3.22Å; N150-Y232 PolarHBondContact OD1-OH 2.9Å; I230-Y232 HydrophobicContact CB-CE2 4.35Å; I230-Y232 HydrophobicContact CG2-CE2 4.08Å; Y232-A287 HydrophobicContact CD1-CB 3.45Å; Y232-A287 VanDerWaalsContact CD1-CB 3.45Å; Y232-A287 HydrophobicContact CE1-CB 3.65Å; Y232-A287 HydrophobicContact CG-CB 4.23Å
233	Y	63.2	Low	64.1	Low	20 Å²	20	72.5 Å²	72.5	8%	0.078	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	126.9	179.4	-57.8	-53.4	0	0	0	111.7	R51 Y53 Q231 I235 P285 L286 R288 E290	R51-Y233 VanDerWaalsContact CZ-CB 3.44Å; R51-Y233 VanDerWaalsContact NE-CD1 3.31Å; Y53-Y233 HydrophobicContact CE1-CD2 4.38Å; Y53-Y233 HydrophobicContact CE1-CE2 4.09Å; Q231-Y233 HydrophobicContact CB-CE1 3.9Å; Q231-Y233 HydrophobicContact CB-CE2 4.4Å; Q231-Y233 PolarHBondContact OE1-OH 3.33Å; Y233-I235 PolarHBondContact O-N 3.25Å; Y233-P285 CarbonylContact O-C 3.52Å; Y233-P285 VanDerWaalsContact O-CA 3.28Å; Y233-P285 WeakPolarHBondContact O-CA 3.28Å; Y233-P285 WeakPolarHBondContact O-CB 3.43Å; Y233-L286 VanDerWaalsContact CB-O 3.23Å; Y233-L286 WeakPolarHBondContact CB-O 3.4Å; Y233-L286 HydrophobicContact CD2-CG 4.48Å; Y233-L286 VanDerWaalsContact CD2-O 3.25Å; Y233-L286 WeakPolarHBondContact CD2-O 3.24Å; Y233-L286 PolarHBondContact N-O 3.08Å; Y233-L286 PolarHBondContact O-N 2.89Å; Y233-R288 HydrophobicContact CE2-CB 4.15Å; Y233-R288 HydrophobicContact CE2-CG 4.35Å; Y233-E290 PolarHBondContact OH-OE1 3.26Å; Y233-E290 PolarHBondContact OH-OE2 2.95Å
234	N	57.2	Low	61.8	Low	88 Å²	88	73.5 Å²	73.5	47%	0.471	36%	0.356	S	S	.	.			trans	-75.6	117.4	165.1	-171.3	-13.4	0	0	0	109.5	R51 E236	R51-N234 PolarHBondContact NH2-O 3.08Å; N234-E236 VanDerWaalsContact C-N 3.35Å; N234-E236 VanDerWaalsContact OD1-CB 3.32Å; N234-E236 WeakPolarHBondContact OD1-CB 3.49Å; N234-E236 WeakPolarHBondContact OD1-CG 3.4Å; N234-E236 PolarHBondContact OD1-N 3.39Å
235	I	58.1	Low	60	Low	50 Å²	50	77.3 Å²	77.3	26%	0.256	38%	0.382	S	S	.	.	S	Bend	trans	-70.7	-30.4	179.3	-54.9	176.9	0	0	0	111.4	Y233 Y237 E238 R239 L283 E284 L286	Y233-I235 PolarHBondContact O-N 3.25Å; I235-Y237 VanDerWaalsContact C-N 3.3Å; I235-Y237 PolarHBondContact O-N 3.04Å; I235-E238 PolarHBondContact O-N 3.44Å; I235-R239 PolarHBondContact O-N 3.43Å; I235-L283 HydrophobicContact CB-CD2 4.49Å; I235-L283 HydrophobicContact CG2-CD2 4.07Å; I235-E284 VanDerWaalsContact CD1-O 3.27Å; I235-E284 WeakPolarHBondContact CD1-O 3.39Å; I235-L286 HydrophobicContact CD1-CB 3.97Å; I235-L286 HydrophobicContact CG1-CB 3.94Å
236	E	50.4	Low	58	Low	90 Å²	90	82.7 Å²	82.7	42%	0.421	40%	0.404	S	S	.	.	H	α-helix	trans	-60.9	-39.2	-179.3	-61.6	-172.4	118.1	0	0	112.1	N234 E238 R239 I240	N234-E236 VanDerWaalsContact C-N 3.35Å; N234-E236 VanDerWaalsContact OD1-CB 3.32Å; N234-E236 WeakPolarHBondContact OD1-CB 3.49Å; N234-E236 WeakPolarHBondContact OD1-CG 3.4Å; N234-E236 PolarHBondContact OD1-N 3.39Å; E236-E238 PolarHBondContact O-N 3.27Å; E236-R239 PolarHBondContact O-N 3.12Å; E236-I240 WeakPolarHBondContact O-CB 3.24Å; E236-I240 VanDerWaalsContact O-CG1 3.29Å; E236-I240 WeakPolarHBondContact O-CG1 3.32Å; E236-I240 PolarHBondContact O-N 2.93Å
237	Y	52.8	Low	56	Low	89 Å²	89	81.9 Å²	81.9	35%	0.349	40%	0.402	S	S	.	.	H	α-helix	trans	-66.6	-25.2	-175	-157.5	-105.2	0	0	0	113.1	I235 Q241 R306	I235-Y237 VanDerWaalsContact C-N 3.3Å; I235-Y237 PolarHBondContact O-N 3.04Å; Y237-Q241 WeakPolarHBondContact O-CG 3.39Å; Y237-Q241 PolarHBondContact O-NE2 3.37Å; Y237-R306 VanDerWaalsContact OH-CD 3.23Å; Y237-R306 WeakPolarHBondContact OH-CD 3.45Å; Y237-R306 PolarHBondContact OH-NH1 3.16Å
238	E	54.3	Low	54	Low	40 Å²	40	87 Å²	87	19%	0.187	44%	0.436	C	S	.	.	H	α-helix	trans	-86.4	-37.8	173.2	-72.2	-178.1	147	0	0	112.5	S50 R51 L54 I235 E236 I240 Q241 S242	S50-E238 PolarHBondContact OG-OE1 3.49Å; R51-E238 IonicContact CZ-OE1 3.56Å; R51-E238 IonicContact CZ-OE2 3.21Å; R51-E238 IonicContact NE-OE1 2.66Å; R51-E238 PolarHBondContact NE-OE1 3.21Å; R51-E238 IonicContact NH1-OE1 3.5Å; R51-E238 PolarHBondContact NH1-OE1 3.28Å; R51-E238 IonicContact NH1-OE2 2.83Å; R51-E238 PolarHBondContact NH1-OE2 3.36Å; R51-E238 IonicContact NH2-OE1 3.74Å; R51-E238 PolarHBondContact NH2-OE1 3.07Å; R51-E238 IonicContact NH2-OE2 3.53Å; R51-E238 PolarHBondContact NH2-OE2 3.37Å; L54-E238 VanDerWaalsContact CD1-OE1 3.24Å; L54-E238 WeakPolarHBondContact CD1-OE1 3.46Å; I235-E238 PolarHBondContact O-N 3.44Å; E236-E238 PolarHBondContact O-N 3.27Å; E238-I240 VanDerWaalsContact C-N 3.3Å; E238-I240 PolarHBondContact O-N 2.88Å; E238-Q241 PolarHBondContact O-N 2.85Å; E238-S242 WeakPolarHBondContact O-CB 3.27Å; E238-S242 PolarHBondContact O-N 3.27Å; E238-S242 PolarHBondContact O-OG 2.92Å
239	R	51.9	Low	52	Low	131 Å²	131	90 Å²	90	49%	0.494	46%	0.463	S	S	.	.	H	α-helix	trans	-62.5	-38.7	173.9	-171.6	177.1	-70.7	167	-1.6	111.5	I235 E236 S242 V243	I235-R239 PolarHBondContact O-N 3.43Å; E236-R239 PolarHBondContact O-N 3.12Å; R239-S242 WeakPolarHBondContact CA-OG 3.4Å; R239-S242 PolarHBondContact O-OG 3.09Å; R239-V243 WeakPolarHBondContact O-CB 3.18Å; R239-V243 WeakPolarHBondContact O-CG2 3.34Å; R239-V243 PolarHBondContact O-N 2.87Å
240	I	51.6	Low	50.2	Low	116 Å²	116	89.1 Å²	89.1	60%	0.595	48%	0.477	S	S	*	.	H	α-helix	trans	-68	-41	178.2	-68.2	165.3	0	0	0	111.3	E236 E238 N244	E236-I240 WeakPolarHBondContact O-CB 3.24Å; E236-I240 VanDerWaalsContact O-CG1 3.29Å; E236-I240 WeakPolarHBondContact O-CG1 3.32Å; E236-I240 PolarHBondContact O-N 2.93Å; E238-I240 VanDerWaalsContact C-N 3.3Å; E238-I240 PolarHBondContact O-N 2.88Å; I240-N244 PolarHBondContact O-N 3.4Å
241	Q	50.8	Low	48.7	Very low	71 Å²	71	94.1 Å²	94.1	33%	0.332	51%	0.514	S	S	.	.	H	α-helix	trans	-72.8	-41.8	178.9	-77.1	179.9	94	0	0	113.3	Y237 E238 V243 N244	Y237-Q241 WeakPolarHBondContact O-CG 3.39Å; Y237-Q241 PolarHBondContact O-NE2 3.37Å; E238-Q241 PolarHBondContact O-N 2.85Å; Q241-V243 PolarHBondContact O-N 3.22Å; Q241-N244 PolarHBondContact O-N 3.25Å
242	S	51.3	Low	47.2	Very low	94 Å²	94	97.1 Å²	97.1	66%	0.657	54%	0.541	S	S	*	.	H	α-helix	trans	-66.7	-23.8	179.3	50.9	0	0	0	0	113.6	E238 R239	E238-S242 WeakPolarHBondContact O-CB 3.27Å; E238-S242 PolarHBondContact O-N 3.27Å; E238-S242 PolarHBondContact O-OG 2.92Å; R239-S242 WeakPolarHBondContact CA-OG 3.4Å; R239-S242 PolarHBondContact O-OG 3.09Å
243	V	48.9	Very low	46.2	Very low	102 Å²	102	97.3 Å²	97.3	62%	0.618	56%	0.559	S	S	*	*	H	α-helix	trans	-90.6	-22.8	179.5	174	0	0	0	0	113.4	R239 Q241	R239-V243 WeakPolarHBondContact O-CB 3.18Å; R239-V243 WeakPolarHBondContact O-CG2 3.34Å; R239-V243 PolarHBondContact O-N 2.87Å; Q241-V243 PolarHBondContact O-N 3.22Å
244	N	37.9	Very low	45.1	Very low	101 Å²	101	102.6 Å²	102.6	54%	0.54	60%	0.596	S	S	.	*			trans	-141.6	64.6	-173.3	-106.8	-29.6	0	0	0	115.9	I240 Q241 F246	I240-N244 PolarHBondContact O-N 3.4Å; Q241-N244 PolarHBondContact O-N 3.25Å; N244-F246 VanDerWaalsContact C-N 3.26Å; N244-F246 PolarHBondContact O-N 2.98Å
245	P	42.1	Very low	44.5	Very low	100 Å²	100	103.4 Å²	103.4	65%	0.649	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-0.3	174.5	29.4	-34.1	0	0	0	115.6
246	F	39.4	Very low	43.9	Very low	169 Å²	169	105.9 Å²	105.9	74%	0.741	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.2	3.7	-166.4	-92.9	-72.1	0	0	0	117.2	N244	N244-F246 VanDerWaalsContact C-N 3.26Å; N244-F246 PolarHBondContact O-N 2.98Å
247	S	38	Very low	43.7	Very low	72 Å²	72	107 Å²	107	50%	0.503	65%	0.647	S	S	.	*	S	Bend	trans	-102.1	13.6	-163.9	65.2	0	0	0	0	117.1
248	V	37.7	Very low	43.3	Very low	136 Å²	136	107.6 Å²	107.6	82%	0.824	67%	0.665	S	S	*	*	S	Bend	trans	-135.3	46.2	-168.5	-158.1	0	0	0	0	113.5
249	S	33.9	Very low	42.9	Very low	104 Å²	104	110.2 Å²	110.2	73%	0.727	69%	0.688	S	S	*	*	S	Bend	trans	-151.7	37.8	-176.4	52.2	0	0	0	0	115.8
250	S	35.8	Very low	42.8	Very low	113 Å²	113	109.4 Å²	109.4	79%	0.79	70%	0.702	S	S	*	*			trans	-154.1	49.8	-175.4	53.7	0	0	0	0	117.8
251	S	36.1	Very low	42.6	Very low	123 Å²	123	108.8 Å²	108.8	86%	0.86	71%	0.708	S	S	*	*			trans	-160.5	78.9	167.9	50.9	0	0	0	0	116.2
252	S	37.5	Very low	42.4	Very low	115 Å²	115	110 Å²	110	80%	0.804	73%	0.725	S	S	*	*			trans	-153.2	59.1	171.6	67.9	0	0	0	0	115.4
253	S	40.7	Very low	42.1	Very low	120 Å²	120	111.1 Å²	111.1	84%	0.839	73%	0.732	S	S	*	*			trans	-143.8	111.1	169.3	-67.2	0	0	0	0	110.7
254	P	40.7	Very low	42.1	Very low	131 Å²	131	112 Å²	112	85%	0.851	74%	0.74	S	S	*	*			trans	-99.2	126.7	-178.7	34.6	-30	0	0	0	113
255	S	44.3	Very low	42.2	Very low	105 Å²	105	112.8 Å²	112.8	73%	0.734	75%	0.753	S	S	*	*			trans	-152.5	95	170.5	58.9	0	0	0	0	113.4
256	S	45	Very low	42.3	Very low	101 Å²	101	114.1 Å²	114.1	71%	0.706	77%	0.765	S	S	*	*			trans	36.9	133.2	135.6	58.1	0	0	0	0	122.4
257	S	46.2	Very low	42.4	Very low	113 Å²	113	111.7 Å²	111.7	79%	0.79	77%	0.769	S	S	*	*			trans	66	143.6	151.6	42.3	0	0	0	0	119
258	S	46.1	Very low	42.7	Very low	102 Å²	102	113.6 Å²	113.6	71%	0.713	78%	0.782	S	S	*	*			cis	-165.2	155.7	-7.4	44.4	0	0	0	0	112.7
259	S	45.9	Very low	42.9	Very low	96 Å²	96	112.3 Å²	112.3	67%	0.671	78%	0.78	S	S	*	*			trans	55.9	126.3	146.7	59.3	0	0	0	0	122.2
260	S	48.5	Very low	43.3	Very low	113 Å²	113	112.2 Å²	112.2	79%	0.79	78%	0.779	S	S	*	*			trans	63.8	144.5	148.9	45.3	0	0	0	0	119.6
261	S	46.8	Very low	43.4	Very low	103 Å²	103	111.8 Å²	111.8	72%	0.72	78%	0.776	S	S	*	*			cis	-167.1	174.6	-9	47.4	0	0	0	0	111
262	S	47.4	Very low	43.4	Very low	98 Å²	98	111.2 Å²	111.2	69%	0.685	77%	0.772	S	S	*	*			trans	56.4	98.7	161.9	49.1	0	0	0	0	117.5
263	S	45.4	Very low	43.5	Very low	117 Å²	117	110.7 Å²	110.7	82%	0.818	77%	0.768	S	S	*	*				70.7	144.2	72	-53.9	0	0	0	0	113.5
264	P	48.1	Very low	43.3	Very low	120 Å²	120	110.4 Å²	110.4	78%	0.779	77%	0.766	S	S	*	*				-136.1	-157.6	-101.3	39.6	-19.8	0	0	0	114.4
265	S	41.4	Very low	43.2	Very low	117 Å²	117	111 Å²	111	82%	0.818	76%	0.761	S	S	*	*			trans	85.3	109.7	165	76.4	0	0	0	0	119
266	S	43.4	Very low	42.8	Very low	128 Å²	128	109 Å²	109	90%	0.895	75%	0.747	S	S	*	*				-154.7	144	128.1	60.4	0	0	0	0	109.1
267	S	41.2	Very low	42.7	Very low	118 Å²	118	111 Å²	111	83%	0.825	75%	0.749	S	S	*	*			trans	-100	135.1	-167.9	53.7	0	0	0	0	113.1
268	S	44.3	Very low	42.3	Very low	112 Å²	112	113.6 Å²	113.6	78%	0.783	75%	0.748	S	S	*	*			trans	-157.1	146.2	153.6	47.7	0	0	0	0	113.6
269	S	43.1	Very low	42	Very low	110 Å²	110	112.1 Å²	112.1	77%	0.769	74%	0.738	S	S	*	*			trans	-14.7	148.9	157.8	54.6	0	0	0	0	118.4
270	S	42.3	Very low	41.7	Very low	102 Å²	102	111.2 Å²	111.2	71%	0.713	73%	0.725	S	S	*	*			cis	-160.9	174.3	25.7	52.3	0	0	0	0	115.2
271	S	38.1	Very low	41.1	Very low	103 Å²	103	114.9 Å²	114.9	72%	0.72	73%	0.727	S	S	*	*			trans	63.2	73	150	53.5	0	0	0	0	118.2	S273	S271-S273 PolarHBondContact O-N 3.28Å
272	S	35.6	Very low	40.7	Very low	112 Å²	112	114.8 Å²	114.8	78%	0.783	73%	0.726	S	S	*	*			trans	-67.3	105.6	155	51.4	0	0	0	0	111.1	S274	S272-S274 VanDerWaalsContact C-N 3.31Å; S272-S274 PolarHBondContact O-N 2.86Å
273	S	39	Very low	40.4	Very low	104 Å²	104	113.1 Å²	113.1	73%	0.727	71%	0.709	S	S	*	*			trans	-81.6	69.6	176.5	44.2	0	0	0	0	112.3	S271 L275	S271-S273 PolarHBondContact O-N 3.28Å; S273-L275 PolarHBondContact O-N 3.38Å
274	S	35.8	Very low	40.6	Very low	113 Å²	113	115.4 Å²	115.4	79%	0.79	71%	0.707	S	S	*	*			trans	-71.7	68.5	172.4	58.1	0	0	0	0	111.7	S272 S276	S272-S274 VanDerWaalsContact C-N 3.31Å; S272-S274 PolarHBondContact O-N 2.86Å; S274-S276 VanDerWaalsContact C-N 3.34Å; S274-S276 PolarHBondContact O-N 2.85Å
275	L	39.2	Very low	40.7	Very low	144 Å²	144	113.2 Å²	113.2	75%	0.754	69%	0.693	S	S	*	*			trans	-74	83.5	179	-87.3	163	0	0	0	111.5	S273 I277	S273-L275 PolarHBondContact O-N 3.38Å; L275-I277 PolarHBondContact O-N 3Å
276	S	35.3	Very low	41.7	Very low	62 Å²	62	109.7 Å²	109.7	43%	0.434	67%	0.665	S	S	.	*			trans	36.7	70.6	146.7	61.5	0	0	0	0	116.9	S274 E278 S279	S274-S276 VanDerWaalsContact C-N 3.34Å; S274-S276 PolarHBondContact O-N 2.85Å; S276-E278 PolarHBondContact O-N 3.4Å; S276-S279 PolarHBondContact O-N 3.04Å; S276-S279 PolarHBondContact O-OG 3.09Å; S276-S279 PolarHBondContact OG-OG 3.14Å; S276-S279 VanDerWaalsContact OG-OG 3.09Å
277	I	43	Very low	42.5	Very low	145 Å²	145	104.2 Å²	104.2	74%	0.744	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-55.8	-24.6	168	-69.3	171.5	0	0	0	111.5	L275 S279 L280	L275-I277 PolarHBondContact O-N 3Å; I277-S279 VanDerWaalsContact C-N 3.32Å; I277-S279 PolarHBondContact O-N 2.88Å; I277-L280 PolarHBondContact O-N 3.08Å
278	E	38.8	Very low	43.6	Very low	166 Å²	166	100.1 Å²	100.1	78%	0.776	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-69.3	-20.1	174.6	-64.1	-169.7	112.7	0	0	114.7	S276 L280	S276-E278 PolarHBondContact O-N 3.4Å; E278-L280 PolarHBondContact O-N 3.05Å
279	S	39.7	Very low	44.7	Very low	72 Å²	72	95.2 Å²	95.2	50%	0.503	56%	0.559	S	S	.	*	G	3₁₀ helix	trans	-79.2	-0.5	175.8	68.6	0	0	0	0	113.9	S276 I277	S276-S279 PolarHBondContact O-N 3.04Å; S276-S279 PolarHBondContact O-OG 3.09Å; S276-S279 PolarHBondContact OG-OG 3.14Å; S276-S279 VanDerWaalsContact OG-OG 3.09Å; I277-S279 VanDerWaalsContact C-N 3.32Å; I277-S279 PolarHBondContact O-N 2.88Å
280	L	38.8	Very low	45.9	Very low	76 Å²	76	90.5 Å²	90.5	40%	0.398	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-88.2	-15.3	177.4	-70	165.1	0	0	0	113.2	I277 E278 S282	I277-L280 PolarHBondContact O-N 3.08Å; E278-L280 PolarHBondContact O-N 3.05Å; L280-S282 PolarHBondContact O-N 3.29Å
281	K	36.2	Very low	47	Very low	190 Å²	190	86.3 Å²	86.3	83%	0.826	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	7.5	-173.1	-81.6	-176.8	174.2	174.6	0	116.1
282	S	37.9	Very low	47.8	Very low	101 Å²	101	82 Å²	82	71%	0.706	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.5	17	-175.6	73.3	0	0	0	0	115	L280 E284	L280-S282 PolarHBondContact O-N 3.29Å; S282-E284 PolarHBondContact O-N 3.46Å
283	L	42.9	Very low	48.7	Very low	63 Å²	63	77 Å²	77	33%	0.33	43%	0.432	S	S	.	.			trans	-90.7	91.6	169.5	-71.5	98.5	0	0	0	109.3	I235	I235-L283 HydrophobicContact CB-CD2 4.49Å; I235-L283 HydrophobicContact CG2-CD2 4.07Å
284	E	48.3	Very low	49.6	Very low	166 Å²	166	72.3 Å²	72.3	78%	0.776	40%	0.4	S	S	*	.			trans	-57.9	145.9	167.4	-66.4	-174.8	127.3	0	0	110.1	I235 S282 L286	I235-E284 VanDerWaalsContact CD1-O 3.27Å; I235-E284 WeakPolarHBondContact CD1-O 3.39Å; S282-E284 PolarHBondContact O-N 3.46Å; E284-L286 PolarHBondContact O-N 2.97Å
285	P	51.5	Low	50.7	Low	74 Å²	74	67.9 Å²	67.9	48%	0.481	37%	0.366	S	S	.	.			trans	-63.4	124.1	176.6	26.9	-33.5	0	0	0	109.3	Y233 A287	Y233-P285 CarbonylContact O-C 3.52Å; Y233-P285 VanDerWaalsContact O-CA 3.28Å; Y233-P285 WeakPolarHBondContact O-CA 3.28Å; Y233-P285 WeakPolarHBondContact O-CB 3.43Å; P285-A287 PolarHBondContact O-N 3Å
286	L	60.4	Low	51.5	Low	43 Å²	43	62.4 Å²	62.4	23%	0.225	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	108.8	176.3	177.3	67.4	0	0	0	107.9	Y53 Y233 I235 E284 R288	Y53-L286 WeakPolarHBondContact OH-CD2 3.17Å; Y233-L286 VanDerWaalsContact CB-O 3.23Å; Y233-L286 WeakPolarHBondContact CB-O 3.4Å; Y233-L286 HydrophobicContact CD2-CG 4.48Å; Y233-L286 VanDerWaalsContact CD2-O 3.25Å; Y233-L286 WeakPolarHBondContact CD2-O 3.24Å; Y233-L286 PolarHBondContact N-O 3.08Å; Y233-L286 PolarHBondContact O-N 2.89Å; I235-L286 HydrophobicContact CD1-CB 3.97Å; I235-L286 HydrophobicContact CG1-CB 3.94Å; E284-L286 PolarHBondContact O-N 2.97Å; L286-R288 HydrophobicContact CG-CG 4.4Å
287	A	60.9	Low	52.4	Low	12 Å²	12	61 Å²	61	10%	0.099	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	120	-175.4	0	0	0	0	0	108.8	A147 I230 Q231 Y232 P285	A147-A287 HydrophobicContact CB-CB 3.41Å; A147-A287 VanDerWaalsContact CB-CB 3.41Å; A147-A287 WeakPolarHBondContact CB-O 3.34Å; I230-A287 HydrophobicContact CG2-CB 4.46Å; Q231-A287 WeakPolarHBondContact O-CA 3.37Å; Y232-A287 HydrophobicContact CD1-CB 3.45Å; Y232-A287 VanDerWaalsContact CD1-CB 3.45Å; Y232-A287 HydrophobicContact CE1-CB 3.65Å; Y232-A287 HydrophobicContact CG-CB 4.23Å; P285-A287 PolarHBondContact O-N 3Å
288	R	64.3	Low	53.1	Low	32 Å²	32	59.4 Å²	59.4	12%	0.121	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	152.2	-178.6	-68.8	-168.9	176.2	-171.6	7.9	110.8	D142 Q231 Y233 L286	D142-R288 IonicContact OD1-CZ 3.18Å; D142-R288 IonicContact OD1-NE 3.11Å; D142-R288 PolarHBondContact OD1-NE 3.18Å; D142-R288 IonicContact OD1-NH2 3.27Å; D142-R288 PolarHBondContact OD1-NH2 3.21Å; D142-R288 IonicContact OD2-CZ 2.6Å; D142-R288 IonicContact OD2-NH2 3.3Å; D142-R288 PolarHBondContact OD2-NH2 3.33Å; Q231-R288 PolarHBondContact N-O 2.84Å; Q231-R288 PolarHBondContact O-N 3.23Å; Y233-R288 HydrophobicContact CE2-CB 4.15Å; Y233-R288 HydrophobicContact CE2-CG 4.35Å; L286-R288 HydrophobicContact CG-CG 4.4Å
289	C	68.4	Low	53.8	Low	10 Å²	10	52 Å²	52	7%	0.068	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	130.3	167.6	-163.8	0	0	0	0	111.9	C153	C153-C289 HydrophobicContact CB-CB 3.72Å; C153-C289 WeakPolarHBondContact CB-SG 3.39Å; C153-C289 WeakPolarHBondContact SG-CB 3.45Å; C153-C289 CovalentContact SG-SG 2Å; C153-C289 PolarHBondContact SG-SG 2.87Å
290	E	68.5	Low	54.3	Low	11 Å²	11	49.8 Å²	49.8	5%	0.051	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	160.9	-179.7	-66.1	-143.3	135.4	0	0	111.3	R229 Q231 Y233 Q296	R229-E290 PolarHBondContact N-O 3.45Å; R229-E290 PolarHBondContact O-N 2.99Å; Q231-E290 HydrophobicContact CG-CB 4.29Å; Q231-E290 PolarHBondContact NE2-OE2 3.32Å; Q231-E290 PolarHBondContact OE1-OE2 3.4Å; Y233-E290 PolarHBondContact OH-OE1 3.26Å; Y233-E290 PolarHBondContact OH-OE2 2.95Å; E290-Q296 VanDerWaalsContact CD-CG 3.48Å; E290-Q296 WeakPolarHBondContact OE1-CG 3.24Å; E290-Q296 PolarHBondContact OE1-NE2 3.44Å; E290-Q296 WeakPolarHBondContact OE2-CB 3.36Å; E290-Q296 VanDerWaalsContact OE2-CD 3.31Å; E290-Q296 WeakPolarHBondContact OE2-CG 3.22Å; E290-Q296 PolarHBondContact OE2-NE2 3.5Å
291	V	65	Low	54.8	Low	13 Å²	13	50.3 Å²	50.3	8%	0.079	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	122.2	172.5	-178.3	0	0	0	0	108.7	W228 G293 G294 Q296 Y326	W228-V291 HydrophobicContact CD2-CG2 4.25Å; W228-V291 HydrophobicContact CE3-CG2 3.89Å; W228-V291 HydrophobicContact CH2-CG2 3.64Å; W228-V291 HydrophobicContact CZ2-CG2 3.98Å; W228-V291 HydrophobicContact CZ3-CG2 3.59Å; V291-G293 PolarHBondContact O-N 3.42Å; V291-G294 PolarHBondContact O-N 3Å; V291-G294 VanDerWaalsContact O-N 3.16Å; V291-Q296 PolarHBondContact O-OE1 2.89Å; V291-Y326 HydrophobicContact CB-CE1 4.39Å; V291-Y326 HydrophobicContact CG1-CD1 3.68Å; V291-Y326 HydrophobicContact CG1-CD2 3.93Å; V291-Y326 HydrophobicContact CG1-CE1 3.55Å; V291-Y326 HydrophobicContact CG1-CE2 3.78Å; V291-Y326 HydrophobicContact CG1-CG 3.83Å; V291-Y326 HydrophobicContact CG2-CE1 4.26Å
292	A	54.5	Low	55.4	Low	14 Å²	14	45.8 Å²	45.8	12%	0.116	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	80.7	170.6	0	0	0	0	0	110.2	Y227 R229 L322	Y227-A292 WeakPolarHBondContact O-CB 3.39Å; Y227-A292 PolarHBondContact O-N 3.11Å; R229-A292 HydrophobicContact CB-CB 4.3Å; R229-A292 HydrophobicContact CG-CB 3.79Å; A292-L322 HydrophobicContact CB-CD2 3.76Å; A292-L322 WeakPolarHBondContact O-CD2 3Å; A292-L322 VanDerWaalsContact O-CG 3.26Å; A292-L322 WeakPolarHBondContact O-CG 2.85Å
293	G	53.9	Low	55.8	Low	6 Å²	6	43.5 Å²	43.5	6%	0.062	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	123.8	5.4	-176.5	0	0	0	0	0	116	V291 A323 F327	V291-G293 PolarHBondContact O-N 3.42Å; G293-A323 VanDerWaalsContact CA-CA 3.48Å; G293-A323 VanDerWaalsContact O-CA 3.23Å; G293-A323 WeakPolarHBondContact O-CA 3.43Å; G293-A323 WeakPolarHBondContact O-CB 3.32Å; G293-F327 WeakPolarHBondContact O-CE2 3.41Å
294	G	58	Low	55.9	Low	6 Å²	6	43 Å²	43	6%	0.062	22%	0.219	C	C	.	.	S	Bend	trans	-69	-163.2	171.7	0	0	0	0	0	112.7	V291 Q296 Y297	V291-G294 PolarHBondContact O-N 3Å; V291-G294 VanDerWaalsContact O-N 3.16Å; G294-Q296 PolarHBondContact O-N 2.62Å; G294-Y297 WeakPolarHBondContact O-CB 3.48Å; G294-Y297 PolarHBondContact O-N 3.4Å
295	Y	58.5	Low	55.7	Low	20 Å²	20	40.9 Å²	40.9	8%	0.078	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-26.2	171.9	-74.4	-75.3	0	0	0	113.2	F52 Y297 W298 F299 F327 D406 T409 F430	F52-Y295 HydrophobicContact CZ-CD2 4.38Å; F52-Y295 HydrophobicContact CZ-CG 4.29Å; Y295-Y297 PolarHBondContact O-N 3.1Å; Y295-W298 WeakPolarHBondContact O-CB 3.33Å; Y295-W298 PolarHBondContact O-N 3.48Å; Y295-F299 WeakPolarHBondContact O-CD2 3.49Å; Y295-F327 HydrophobicContact CD1-CZ 4.48Å; Y295-F327 HydrophobicContact CD2-CZ 4.42Å; Y295-F327 HydrophobicContact CE1-CZ 4.42Å; Y295-F327 HydrophobicContact CE2-CE1 4.14Å; Y295-F327 HydrophobicContact CE2-CZ 4.36Å; Y295-F327 HydrophobicContact CG-CZ 4.48Å; Y295-D406 PolarHBondContact OH-O 3.48Å; Y295-T409 PolarHBondContact OH-O 3.42Å; Y295-T409 PolarHBondContact OH-OG1 3.32Å; Y295-F430 AromaticContact CD1-CE2 3.82Å; Y295-F430 HydrophobicContact CD1-CE2 3.82Å; Y295-F430 HydrophobicContact CD1-CZ 4.02Å; Y295-F430 HydrophobicContact CD2-CE2 4.29Å; Y295-F430 HydrophobicContact CD2-CZ 4.44Å; Y295-F430 HydrophobicContact CE1-CD2 4.3Å; Y295-F430 AromaticContact CE1-CE2 3.47Å; Y295-F430 HydrophobicContact CE1-CE2 3.47Å; Y295-F430 VanDerWaalsContact CE1-CE2 3.47Å; Y295-F430 HydrophobicContact CE1-CZ 4.15Å; Y295-F430 AromaticContact CE2-CE2 3.98Å; Y295-F430 HydrophobicContact CE2-CE2 3.98Å; Y295-F430 HydrophobicContact CG-CE2 4.21Å; Y295-F430 HydrophobicContact CG-CZ 4.16Å; Y295-F430 AromaticContact CZ-CE2 3.56Å
296	Q	55.8	Low	55.5	Low	29 Å²	29	44.1 Å²	44.1	14%	0.136	21%	0.212	C	C	.	.	H	α-helix	trans	-52.9	-31.6	172.2	-65.4	132.5	-27.3	0	0	113.2	F52 E290 V291 G294 W298 F299 S300	F52-Q296 HydrophobicContact CB-CG 3.99Å; F52-Q296 HydrophobicContact CD1-CG 4.24Å; E290-Q296 VanDerWaalsContact CD-CG 3.48Å; E290-Q296 WeakPolarHBondContact OE1-CG 3.24Å; E290-Q296 PolarHBondContact OE1-NE2 3.44Å; E290-Q296 WeakPolarHBondContact OE2-CB 3.36Å; E290-Q296 VanDerWaalsContact OE2-CD 3.31Å; E290-Q296 WeakPolarHBondContact OE2-CG 3.22Å; E290-Q296 PolarHBondContact OE2-NE2 3.5Å; V291-Q296 PolarHBondContact O-OE1 2.89Å; G294-Q296 PolarHBondContact O-N 2.62Å; Q296-W298 PolarHBondContact O-N 2.68Å; Q296-F299 PolarHBondContact O-N 3.4Å; Q296-S300 PolarHBondContact O-N 2.88Å; Q296-S300 PolarHBondContact O-OG 2.95Å; Q296-S300 VanDerWaalsContact O-OG 3.05Å
297	Y	55.2	Low	54.5	Low	33 Å²	33	49.4 Å²	49.4	13%	0.129	23%	0.23	C	C	.	.	H	α-helix	trans	-53.1	-40.4	174.2	171.3	-94.8	0	0	0	112.6	G294 Y295 F299 S300 M301 S320 A323	G294-Y297 WeakPolarHBondContact O-CB 3.48Å; G294-Y297 PolarHBondContact O-N 3.4Å; Y295-Y297 PolarHBondContact O-N 3.1Å; Y297-F299 VanDerWaalsContact C-N 3.25Å; Y297-F299 PolarHBondContact O-N 3.31Å; Y297-S300 PolarHBondContact O-N 3.44Å; Y297-M301 HydrophobicContact CE1-SD 3.91Å; Y297-M301 WeakPolarHBondContact O-CB 3.17Å; Y297-M301 PolarHBondContact O-N 2.98Å; Y297-M301 WeakPolarHBondContact OH-CE 3.38Å; Y297-M301 PolarHBondContact OH-SD 2.9Å; Y297-S320 VanDerWaalsContact CE2-CA 3.41Å; Y297-S320 VanDerWaalsContact CE2-N 3.35Å; Y297-S320 VanDerWaalsContact CZ-CB 3.41Å; Y297-S320 WeakPolarHBondContact OH-CB 3.42Å; Y297-A323 HydrophobicContact CD1-CB 4.28Å; Y297-A323 HydrophobicContact CD2-CB 4.18Å; Y297-A323 HydrophobicContact CG-CB 3.85Å
298	W	56.7	Low	53.5	Low	111 Å²	111	54.3 Å²	54.3	42%	0.42	26%	0.255	S	S	.	.	H	α-helix	trans	-65.2	-29.1	179.5	-64.5	82.2	0	0	0	112.6	Y295 Q296 M414	Y295-W298 WeakPolarHBondContact O-CB 3.33Å; Y295-W298 PolarHBondContact O-N 3.48Å; Q296-W298 PolarHBondContact O-N 2.68Å; W298-M414 HydrophobicContact CE3-CE 4.22Å
299	F	54	Low	52.7	Low	9 Å²	9	58.1 Å²	58.1	4%	0.039	28%	0.276	C	S	.	.	H	α-helix	trans	-83.3	-46.3	175.7	-64.8	-96	0	0	0	110.9	L46 Y49 F52 L55 Y295 Q296 Y297 M301 K302 S303	L46-F299 HydrophobicContact CD2-CD1 3.61Å; L46-F299 HydrophobicContact CD2-CD2 4.29Å; L46-F299 HydrophobicContact CD2-CE1 3.64Å; L46-F299 HydrophobicContact CD2-CE2 4.29Å; L46-F299 HydrophobicContact CD2-CG 3.94Å; L46-F299 HydrophobicContact CD2-CZ 3.98Å; Y49-F299 WeakPolarHBondContact O-CD1 3.23Å; F52-F299 HydrophobicContact CB-CD2 3.91Å; F52-F299 HydrophobicContact CB-CE2 3.93Å; F52-F299 HydrophobicContact CB-CG 4.43Å; F52-F299 HydrophobicContact CB-CZ 4.44Å; F52-F299 HydrophobicContact CD2-CD2 4.32Å; F52-F299 AromaticContact CD2-CE2 3.53Å; F52-F299 HydrophobicContact CD2-CE2 3.53Å; F52-F299 AromaticContact CD2-CZ 3.92Å; F52-F299 HydrophobicContact CD2-CZ 3.92Å; F52-F299 HydrophobicContact CE2-CE2 4.44Å; F52-F299 HydrophobicContact CG-CD2 4.48Å; F52-F299 HydrophobicContact CG-CE2 4.11Å; L55-F299 HydrophobicContact CB-CE1 4.26Å; L55-F299 HydrophobicContact CB-CZ 4.34Å; L55-F299 HydrophobicContact CD1-CE1 4.22Å; L55-F299 HydrophobicContact CD1-CZ 4.08Å; L55-F299 HydrophobicContact CD2-CZ 4.23Å; L55-F299 HydrophobicContact CG-CZ 4.45Å; Y295-F299 WeakPolarHBondContact O-CD2 3.49Å; Q296-F299 PolarHBondContact O-N 3.4Å; Y297-F299 VanDerWaalsContact C-N 3.25Å; Y297-F299 PolarHBondContact O-N 3.31Å; F299-M301 VanDerWaalsContact C-N 3.27Å; F299-M301 PolarHBondContact O-N 3.49Å; F299-K302 PolarHBondContact O-N 3.44Å; F299-K302 VanDerWaalsContact O-N 3.11Å; F299-S303 PolarHBondContact O-N 2.92Å; F299-S303 VanDerWaalsContact O-N 3.15Å
300	S	50	Low	51.5	Low	27 Å²	27	66.6 Å²	66.6	19%	0.189	31%	0.312	C	S	.	.	H	α-helix	trans	-56.5	-39.9	176.6	-53.9	0	0	0	0	112.5	Q296 Y297 K302 S303 I304	Q296-S300 PolarHBondContact O-N 2.88Å; Q296-S300 PolarHBondContact O-OG 2.95Å; Q296-S300 VanDerWaalsContact O-OG 3.05Å; Y297-S300 PolarHBondContact O-N 3.44Å; S300-K302 PolarHBondContact O-N 2.94Å; S300-K302 VanDerWaalsContact O-N 3.08Å; S300-S303 WeakPolarHBondContact CA-OG 3.35Å; S300-S303 PolarHBondContact O-N 3.38Å; S300-S303 PolarHBondContact O-OG 2.88Å; S300-I304 VanDerWaalsContact O-CB 3.32Å; S300-I304 WeakPolarHBondContact O-CB 3.46Å; S300-I304 WeakPolarHBondContact O-CD1 3.27Å; S300-I304 WeakPolarHBondContact O-CG1 3.22Å; S300-I304 PolarHBondContact O-N 3.32Å
301	M	50.4	Low	50.6	Low	87 Å²	87	70.1 Å²	70.1	43%	0.429	34%	0.335	S	S	.	.	H	α-helix	trans	-59.3	-22.2	-179.5	-167.1	177.7	-168.4	0	0	113.2	Y297 F299	Y297-M301 HydrophobicContact CE1-SD 3.91Å; Y297-M301 WeakPolarHBondContact O-CB 3.17Å; Y297-M301 PolarHBondContact O-N 2.98Å; Y297-M301 WeakPolarHBondContact OH-CE 3.38Å; Y297-M301 PolarHBondContact OH-SD 2.9Å; F299-M301 VanDerWaalsContact C-N 3.27Å; F299-M301 PolarHBondContact O-N 3.49Å
302	K	47.8	Very low	49.9	Very low	94 Å²	94	70.1 Å²	70.1	41%	0.409	33%	0.334	S	S	.	.	H	α-helix	trans	-106.9	-22.9	177.7	-137.3	178	-169	-176	0	114.5	D44 L46 F299 S300	D44-K302 VanDerWaalsContact CG-NZ 3.28Å; D44-K302 IonicContact OD2-NZ 3.51Å; D44-K302 PolarHBondContact OD2-NZ 3.36Å; L46-K302 HydrophobicContact CB-CB 4.26Å; L46-K302 HydrophobicContact CB-CD 3.95Å; L46-K302 HydrophobicContact CD1-CD 4.32Å; F299-K302 PolarHBondContact O-N 3.44Å; F299-K302 VanDerWaalsContact O-N 3.11Å; S300-K302 PolarHBondContact O-N 2.94Å; S300-K302 VanDerWaalsContact O-N 3.08Å
303	S	46.6	Very low	49.7	Very low	54 Å²	54	76.3 Å²	76.3	38%	0.378	36%	0.362	S	S	.	.	H	α-helix	trans	-79.3	-27.1	174.2	66.8	0	0	0	0	113.2	F299 S300	F299-S303 PolarHBondContact O-N 2.92Å; F299-S303 VanDerWaalsContact O-N 3.15Å; S300-S303 WeakPolarHBondContact CA-OG 3.35Å; S300-S303 PolarHBondContact O-N 3.38Å; S300-S303 PolarHBondContact O-OG 2.88Å
304	I	45.9	Very low	49.8	Very low	51 Å²	51	80.2 Å²	80.2	26%	0.262	38%	0.382	S	S	.	.	S	Bend	trans	-72.6	-27.7	-179.8	-70.2	169.4	0	0	0	112.3	S300 R306 Y307 E312 T316	S300-I304 VanDerWaalsContact O-CB 3.32Å; S300-I304 WeakPolarHBondContact O-CB 3.46Å; S300-I304 WeakPolarHBondContact O-CD1 3.27Å; S300-I304 WeakPolarHBondContact O-CG1 3.22Å; S300-I304 PolarHBondContact O-N 3.32Å; I304-R306 PolarHBondContact O-N 2.86Å; I304-Y307 PolarHBondContact O-N 2.9Å; I304-E312 HydrophobicContact CG2-CG 3.56Å; I304-T316 HydrophobicContact CG2-CG2 4.13Å
305	H	43.6	Very low	49.7	Very low	123 Å²	123	84.2 Å²	84.2	57%	0.569	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	30.8	177.2	-83.6	-21.6	0	0	0	115.9	E312	H305-E312 WeakPolarHBondContact CA-OE1 3.47Å; H305-E312 IonicContact CE1-OE1 3.27Å; H305-E312 IonicContact CG-OE1 3.01Å; H305-E312 PolarHBondContact N-OE1 3.09Å; H305-E312 IonicContact ND1-OE1 2.67Å; H305-E312 PolarHBondContact ND1-OE1 3.42Å
306	R	47.6	Very low	49.7	Very low	141 Å²	141	84.3 Å²	84.3	53%	0.532	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.9	-2	170.1	-68.6	-169.6	179.7	168	5.5	113.7	Y237 I304	Y237-R306 VanDerWaalsContact OH-CD 3.23Å; Y237-R306 WeakPolarHBondContact OH-CD 3.45Å; Y237-R306 PolarHBondContact OH-NH1 3.16Å; I304-R306 PolarHBondContact O-N 2.86Å
307	Y	39.1	Very low	50.1	Low	155 Å²	155	88.3 Å²	88.3	61%	0.608	42%	0.42	S	S	*	.	S	Bend	trans	-138.5	96.4	-173	-69.1	-79.2	0	0	0	113.9	I304	I304-Y307 PolarHBondContact O-N 2.9Å
308	D	39.9	Very low	50.5	Low	114 Å²	114	92.3 Å²	92.3	61%	0.61	44%	0.438	S	S	*	.			trans	57.2	89.1	166.8	-148.8	-17.8	0	0	0	118.1	F310 T311 E312	D308-F310 VanDerWaalsContact C-N 3.26Å; D308-F310 PolarHBondContact O-N 3.37Å; D308-T311 PolarHBondContact O-N 2.86Å; D308-T311 PolarHBondContact O-OG1 3.12Å; D308-E312 PolarHBondContact O-N 2.84Å; D308-E312 VanDerWaalsContact O-N 3.16Å
309	I	47.3	Very low	50.9	Low	113 Å²	113	88.8 Å²	88.8	58%	0.579	43%	0.429	S	S	*	.	H	α-helix	trans	-48.4	-35.8	-171.7	-64.6	164.3	0	0	0	114.3	E312	I309-E312 VanDerWaalsContact O-CB 3.31Å; I309-E312 WeakPolarHBondContact O-CB 3.17Å; I309-E312 PolarHBondContact O-N 3.27Å
310	F	43	Very low	51.4	Low	187 Å²	187	90.3 Å²	90.3	82%	0.82	44%	0.441	S	S	*	.	H	α-helix	trans	-81.5	-32.6	-171.6	-73.1	-77.8	0	0	0	113.8	D308 E312	D308-F310 VanDerWaalsContact C-N 3.26Å; D308-F310 PolarHBondContact O-N 3.37Å; F310-E312 VanDerWaalsContact C-N 3.35Å
311	T	49.7	Very low	52.5	Low	86 Å²	86	94.2 Å²	94.2	53%	0.528	46%	0.456	S	S	.	.	H	α-helix	trans	-76	-26.9	165.7	27.7	0	0	0	0	112.3	D308 I315	D308-T311 PolarHBondContact O-N 2.86Å; D308-T311 PolarHBondContact O-OG1 3.12Å; T311-I315 WeakPolarHBondContact O-CG1 3.39Å; T311-I315 PolarHBondContact O-N 2.94Å
312	E	50.4	Low	53.5	Low	13 Å²	13	91.5 Å²	91.5	6%	0.061	44%	0.443	C	S	.	.	H	α-helix	trans	-61.9	-47.1	-173.9	-116.6	-164.7	97	0	0	114.6	I304 H305 D308 I309 F310 D314 I315 T316	I304-E312 HydrophobicContact CG2-CG 3.56Å; H305-E312 WeakPolarHBondContact CA-OE1 3.47Å; H305-E312 IonicContact CE1-OE1 3.27Å; H305-E312 IonicContact CG-OE1 3.01Å; H305-E312 PolarHBondContact N-OE1 3.09Å; H305-E312 IonicContact ND1-OE1 2.67Å; H305-E312 PolarHBondContact ND1-OE1 3.42Å; D308-E312 PolarHBondContact O-N 2.84Å; D308-E312 VanDerWaalsContact O-N 3.16Å; I309-E312 VanDerWaalsContact O-CB 3.31Å; I309-E312 WeakPolarHBondContact O-CB 3.17Å; I309-E312 PolarHBondContact O-N 3.27Å; F310-E312 VanDerWaalsContact C-N 3.35Å; E312-D314 VanDerWaalsContact C-N 3.28Å; E312-D314 PolarHBondContact O-N 3.36Å; E312-I315 PolarHBondContact O-N 2.88Å; E312-T316 WeakPolarHBondContact O-CB 3.47Å; E312-T316 WeakPolarHBondContact O-CG2 3.39Å; E312-T316 PolarHBondContact O-N 3.2Å; E312-T316 PolarHBondContact O-OG1 3.11Å
313	M	50	Low	54.5	Low	143 Å²	143	87.2 Å²	87.2	70%	0.704	43%	0.426	S	S	*	.	H	α-helix	trans	-62	-35.8	-173.9	-73.4	-169.2	66.5	0	0	113	T316 K317	M313-T316 WeakPolarHBondContact CA-OG1 3.45Å; M313-T316 PolarHBondContact O-OG1 2.94Å; M313-K317 VanDerWaalsContact O-CB 3.23Å; M313-K317 WeakPolarHBondContact O-CB 3.48Å; M313-K317 PolarHBondContact O-N 3.39Å; M313-K317 VanDerWaalsContact O-N 3.12Å
314	D	55.7	Low	55.8	Low	88 Å²	88	87.1 Å²	87.1	47%	0.471	43%	0.428	S	S	.	.	H	α-helix	trans	-83	-22.1	-176.5	-147.7	45	0	0	0	112.1	E312 K318	E312-D314 VanDerWaalsContact C-N 3.28Å; E312-D314 PolarHBondContact O-N 3.36Å; D314-K318 WeakPolarHBondContact O-CD 3.33Å; D314-K318 WeakPolarHBondContact O-CE 3.39Å; D314-K318 WeakPolarHBondContact O-CG 3.36Å; D314-K318 PolarHBondContact O-N 3.28Å; D314-K318 WeakPolarHBondContact OD2-CE 3.28Å; D314-K318 IonicContact OD2-NZ 2.65Å; D314-K318 PolarHBondContact OD2-NZ 2.8Å
315	I	57.3	Low	57.5	Low	91 Å²	91	86.6 Å²	86.6	47%	0.467	43%	0.429	S	S	.	.	H	α-helix	trans	-78.9	-51.9	170.8	-65.4	169.9	0	0	0	110.3	T311 E312 K317 K318 T319	T311-I315 WeakPolarHBondContact O-CG1 3.39Å; T311-I315 PolarHBondContact O-N 2.94Å; E312-I315 PolarHBondContact O-N 2.88Å; I315-K317 VanDerWaalsContact C-N 3.31Å; I315-K317 PolarHBondContact O-N 3.02Å; I315-K318 PolarHBondContact O-N 3.15Å; I315-K318 VanDerWaalsContact O-N 3.1Å; I315-T319 PolarHBondContact O-N 2.92Å; I315-T319 PolarHBondContact O-OG1 2.82Å
316	T	58.5	Low	59.2	Low	21 Å²	21	81.4 Å²	81.4	13%	0.129	40%	0.404	C	S	.	.	H	α-helix	trans	-60.9	-37.6	-179.1	49.6	0	0	0	0	112.4	I304 E312 M313 T319 S320	I304-T316 HydrophobicContact CG2-CG2 4.13Å; E312-T316 WeakPolarHBondContact O-CB 3.47Å; E312-T316 WeakPolarHBondContact O-CG2 3.39Å; E312-T316 PolarHBondContact O-N 3.2Å; E312-T316 PolarHBondContact O-OG1 3.11Å; M313-T316 WeakPolarHBondContact CA-OG1 3.45Å; M313-T316 PolarHBondContact O-OG1 2.94Å; T316-T319 WeakPolarHBondContact CA-OG1 3.05Å; T316-T319 PolarHBondContact O-OG1 3.4Å; T316-T319 VanDerWaalsContact O-OG1 3.08Å; T316-S320 WeakPolarHBondContact O-CB 3.47Å; T316-S320 PolarHBondContact O-N 3.47Å
317	K	63.1	Low	60.6	Low	113 Å²	113	76.2 Å²	76.2	49%	0.491	39%	0.386	S	S	.	.	H	α-helix	trans	-64.9	-44.5	171.7	-177.5	-179.9	169.1	-172.4	0	112.6	M313 I315 T319 S320 E321	M313-K317 VanDerWaalsContact O-CB 3.23Å; M313-K317 WeakPolarHBondContact O-CB 3.48Å; M313-K317 PolarHBondContact O-N 3.39Å; M313-K317 VanDerWaalsContact O-N 3.12Å; I315-K317 VanDerWaalsContact C-N 3.31Å; I315-K317 PolarHBondContact O-N 3.02Å; K317-T319 VanDerWaalsContact C-N 3.33Å; K317-T319 PolarHBondContact O-N 3.1Å; K317-S320 PolarHBondContact O-N 2.84Å; K317-S320 PolarHBondContact O-OG 3.49Å; K317-E321 WeakPolarHBondContact CE-OE1 3.16Å; K317-E321 IonicContact NZ-OE1 2.72Å; K317-E321 WeakPolarHBondContact O-CG 3.29Å; K317-E321 PolarHBondContact O-N 2.96Å
318	K	64.8	Low	62.6	Low	118 Å²	118	73.6 Å²	73.6	51%	0.513	38%	0.382	S	S	.	.	H	α-helix	trans	-67.2	-34	179.1	-73.2	168.6	-162.2	156.5	0	112.2	D314 I315 L322	D314-K318 WeakPolarHBondContact O-CD 3.33Å; D314-K318 WeakPolarHBondContact O-CE 3.39Å; D314-K318 WeakPolarHBondContact O-CG 3.36Å; D314-K318 PolarHBondContact O-N 3.28Å; D314-K318 WeakPolarHBondContact OD2-CE 3.28Å; D314-K318 IonicContact OD2-NZ 2.65Å; D314-K318 PolarHBondContact OD2-NZ 2.8Å; I315-K318 PolarHBondContact O-N 3.15Å; I315-K318 VanDerWaalsContact O-N 3.1Å; K318-L322 VanDerWaalsContact O-CB 3.24Å; K318-L322 WeakPolarHBondContact O-CB 3.48Å; K318-L322 PolarHBondContact O-N 3.01Å
319	T	64.4	Low	64.7	Low	36 Å²	36	69.3 Å²	69.3	22%	0.221	36%	0.357	C	S	.	.	H	α-helix	trans	-73.7	-29.3	173.5	55.7	0	0	0	0	112.6	I315 T316 K317 A323	I315-T319 PolarHBondContact O-N 2.92Å; I315-T319 PolarHBondContact O-OG1 2.82Å; T316-T319 WeakPolarHBondContact CA-OG1 3.05Å; T316-T319 PolarHBondContact O-OG1 3.4Å; T316-T319 VanDerWaalsContact O-OG1 3.08Å; K317-T319 VanDerWaalsContact C-N 3.33Å; K317-T319 PolarHBondContact O-N 3.1Å; T319-A323 VanDerWaalsContact O-CB 3.24Å; T319-A323 WeakPolarHBondContact O-CB 3.48Å; T319-A323 PolarHBondContact O-N 2.95Å
320	S	65.2	Low	66.3	Low	41 Å²	41	65 Å²	65	29%	0.287	34%	0.335	S	S	.	.	H	α-helix	trans	-72.6	-41.3	174.7	84.1	0	0	0	0	112.7	Y297 T316 K317 A323 A324	Y297-S320 VanDerWaalsContact CE2-CA 3.41Å; Y297-S320 VanDerWaalsContact CE2-N 3.35Å; Y297-S320 VanDerWaalsContact CZ-CB 3.41Å; Y297-S320 WeakPolarHBondContact OH-CB 3.42Å; T316-S320 WeakPolarHBondContact O-CB 3.47Å; T316-S320 PolarHBondContact O-N 3.47Å; K317-S320 PolarHBondContact O-N 2.84Å; K317-S320 PolarHBondContact O-OG 3.49Å; S320-A323 PolarHBondContact O-N 2.92Å; S320-A324 PolarHBondContact O-N 2Å
321	E	72.8	Confident	68.2	Low	110 Å²	110	61.6 Å²	61.6	51%	0.514	32%	0.317	S	S	.	.	H	α-helix	trans	-64.4	-40.8	173.1	-71.2	176.1	174.3	0	0	110.8	K317 S325	K317-E321 WeakPolarHBondContact CE-OE1 3.16Å; K317-E321 IonicContact NZ-OE1 2.72Å; K317-E321 WeakPolarHBondContact O-CG 3.29Å; K317-E321 PolarHBondContact O-N 2.96Å; E321-S325 WeakPolarHBondContact O-CB 3.38Å; E321-S325 PolarHBondContact O-N 3.3Å; E321-S325 PolarHBondContact O-OG 2.96Å
322	L	70.6	Confident	69.9	Low	29 Å²	29	61.7 Å²	61.7	15%	0.152	31%	0.313	C	S	.	.	H	α-helix	trans	-66.6	-40.5	174.7	-167.2	65.3	0	0	0	112	Y227 A292 K318 S325 Y326	Y227-L322 HydrophobicContact CD1-CD1 4Å; Y227-L322 HydrophobicContact CD1-CG 4.48Å; Y227-L322 HydrophobicContact CE1-CD1 4.01Å; A292-L322 HydrophobicContact CB-CD2 3.76Å; A292-L322 WeakPolarHBondContact O-CD2 3Å; A292-L322 VanDerWaalsContact O-CG 3.26Å; A292-L322 WeakPolarHBondContact O-CG 2.85Å; K318-L322 VanDerWaalsContact O-CB 3.24Å; K318-L322 WeakPolarHBondContact O-CB 3.48Å; K318-L322 PolarHBondContact O-N 3.01Å; L322-S325 WeakPolarHBondContact CA-OG 3.34Å; L322-S325 PolarHBondContact O-N 2.82Å; L322-S325 PolarHBondContact O-OG 3.42Å; L322-Y326 PolarHBondContact O-N 2.88Å
323	A	69.1	Low	71.5	Confident	5 Å²	5	61.8 Å²	61.8	4%	0.041	32%	0.315	C	S	.	.	H	α-helix	trans	-59.5	-51.6	175.2	0	0	0	0	0	112.5	G293 Y297 T319 S320 S325 Y326 F327	G293-A323 VanDerWaalsContact CA-CA 3.48Å; G293-A323 VanDerWaalsContact O-CA 3.23Å; G293-A323 WeakPolarHBondContact O-CA 3.43Å; G293-A323 WeakPolarHBondContact O-CB 3.32Å; Y297-A323 HydrophobicContact CD1-CB 4.28Å; Y297-A323 HydrophobicContact CD2-CB 4.18Å; Y297-A323 HydrophobicContact CG-CB 3.85Å; T319-A323 VanDerWaalsContact O-CB 3.24Å; T319-A323 WeakPolarHBondContact O-CB 3.48Å; T319-A323 PolarHBondContact O-N 2.95Å; S320-A323 PolarHBondContact O-N 2.92Å; A323-S325 VanDerWaalsContact C-N 3.29Å; A323-S325 PolarHBondContact O-N 2.89Å; A323-Y326 PolarHBondContact O-N 2.62Å; A323-Y326 VanDerWaalsContact O-N 3.14Å; A323-F327 VanDerWaalsContact O-CD2 3.24Å; A323-F327 WeakPolarHBondContact O-CD2 3.33Å; A323-F327 PolarHBondContact O-N 3.28Å
324	A	74.9	Confident	73	Confident	52 Å²	52	55 Å²	55	43%	0.43	28%	0.281	S	S	.	.	H	α-helix	trans	-55.9	-46.3	174.5	0	0	0	0	0	111.1	S320 Y326 F327 D328	S320-A324 PolarHBondContact O-N 2Å; A324-Y326 VanDerWaalsContact C-N 3.29Å; A324-Y326 PolarHBondContact O-N 2.89Å; A324-F327 PolarHBondContact O-N 3.03Å; A324-D328 WeakPolarHBondContact O-CB 3.41Å; A324-D328 PolarHBondContact O-N 3.49Å
325	S	81.3	Confident	74.4	Confident	39 Å²	39	53.1 Å²	53.1	27%	0.273	27%	0.271	S	S	.	.	H	α-helix	trans	-64.1	-29.8	178.7	75.4	0	0	0	0	114.1	E321 L322 A323 Y329	E321-S325 WeakPolarHBondContact O-CB 3.38Å; E321-S325 PolarHBondContact O-N 3.3Å; E321-S325 PolarHBondContact O-OG 2.96Å; L322-S325 WeakPolarHBondContact CA-OG 3.34Å; L322-S325 PolarHBondContact O-N 2.82Å; L322-S325 PolarHBondContact O-OG 3.42Å; A323-S325 VanDerWaalsContact C-N 3.29Å; A323-S325 PolarHBondContact O-N 2.89Å; S325-Y329 WeakPolarHBondContact O-CB 3.3Å; S325-Y329 PolarHBondContact O-N 2.88Å
326	Y	78.9	Confident	75.7	Confident	15 Å²	15	52.6 Å²	52.6	6%	0.059	27%	0.272	C	S	.	.	H	α-helix	trans	-74.5	-43.6	175.6	-176	-105	0	0	0	112.3	Y227 V291 L322 A323 A324 Y329 Q330	Y227-Y326 AromaticContact CD1-CD2 3.66Å; Y227-Y326 HydrophobicContact CD1-CD2 3.66Å; Y227-Y326 HydrophobicContact CD1-CG 4.29Å; Y227-Y326 AromaticContact CD2-CD2 3.74Å; Y227-Y326 HydrophobicContact CD2-CD2 3.74Å; Y227-Y326 HydrophobicContact CD2-CE2 4.12Å; Y227-Y326 HydrophobicContact CE1-CD2 4.21Å; Y227-Y326 HydrophobicContact CE2-CD2 4.28Å; Y227-Y326 AromaticContact CG-CD2 3.4Å; Y227-Y326 HydrophobicContact CG-CD2 3.4Å; Y227-Y326 AromaticContact CG-CE2 3.96Å; Y227-Y326 HydrophobicContact CG-CE2 3.96Å; Y227-Y326 HydrophobicContact CG-CG 4.42Å; V291-Y326 HydrophobicContact CB-CE1 4.39Å; V291-Y326 HydrophobicContact CG1-CD1 3.68Å; V291-Y326 HydrophobicContact CG1-CD2 3.93Å; V291-Y326 HydrophobicContact CG1-CE1 3.55Å; V291-Y326 HydrophobicContact CG1-CE2 3.78Å; V291-Y326 HydrophobicContact CG1-CG 3.83Å; V291-Y326 HydrophobicContact CG2-CE1 4.26Å; L322-Y326 PolarHBondContact O-N 2.88Å; A323-Y326 PolarHBondContact O-N 2.62Å; A323-Y326 VanDerWaalsContact O-N 3.14Å; A324-Y326 VanDerWaalsContact C-N 3.29Å; A324-Y326 PolarHBondContact O-N 2.89Å; Y326-Y329 HydrophobicContact CD2-CD1 4.29Å; Y326-Y329 HydrophobicContact CE2-CD1 4.36Å; Y326-Y329 PolarHBondContact O-N 3.06Å; Y326-Q330 HydrophobicContact CD1-CG 4.23Å; Y326-Q330 HydrophobicContact CE1-CG 3.76Å; Y326-Q330 VanDerWaalsContact CE1-NE2 3.29Å; Y326-Q330 HydrophobicContact CE2-CG 4.24Å; Y326-Q330 VanDerWaalsContact CZ-NE2 3.26Å; Y326-Q330 PolarHBondContact O-N 3.04Å; Y326-Q330 PolarHBondContact OH-NE2 3.06Å
327	F	76.1	Confident	77.1	Confident	32 Å²	32	53.5 Å²	53.5	14%	0.14	28%	0.275	C	S	.	.	H	α-helix	trans	-64.4	-41.4	174.3	-74.8	-67.1	0	0	0	111.3	G293 Y295 A323 A324 Q330 W331 P407	G293-F327 WeakPolarHBondContact O-CE2 3.41Å; Y295-F327 HydrophobicContact CD1-CZ 4.48Å; Y295-F327 HydrophobicContact CD2-CZ 4.42Å; Y295-F327 HydrophobicContact CE1-CZ 4.42Å; Y295-F327 HydrophobicContact CE2-CE1 4.14Å; Y295-F327 HydrophobicContact CE2-CZ 4.36Å; Y295-F327 HydrophobicContact CG-CZ 4.48Å; A323-F327 VanDerWaalsContact O-CD2 3.24Å; A323-F327 WeakPolarHBondContact O-CD2 3.33Å; A323-F327 PolarHBondContact O-N 3.28Å; A324-F327 PolarHBondContact O-N 3.03Å; F327-Q330 PolarHBondContact O-N 3.01Å; F327-W331 VanDerWaalsContact O-CB 3.27Å; F327-W331 WeakPolarHBondContact O-CB 3.41Å; F327-W331 PolarHBondContact O-N 3.36Å; F327-P407 HydrophobicContact CB-CB 4.43Å; F327-P407 HydrophobicContact CB-CG 4.46Å; F327-P407 HydrophobicContact CD1-CB 4.37Å; F327-P407 HydrophobicContact CD1-CG 4.27Å
328	D	82.5	Confident	78.3	Confident	99 Å²	99	50 Å²	50	53%	0.529	26%	0.262	S	S	.	.	H	α-helix	trans	-60.8	-44.7	172	-76.5	-19.6	0	0	0	111.4	A324 W331 I332	A324-D328 WeakPolarHBondContact O-CB 3.41Å; A324-D328 PolarHBondContact O-N 3.49Å; D328-W331 PolarHBondContact O-N 2.79Å; D328-I332 WeakPolarHBondContact O-CB 3.26Å; D328-I332 WeakPolarHBondContact O-CD1 3.5Å; D328-I332 WeakPolarHBondContact O-CG1 3.4Å; D328-I332 PolarHBondContact O-N 3.13Å
329	Y	83.1	Confident	79.5	Confident	24 Å²	24	45.4 Å²	45.4	9%	0.094	25%	0.245	C	C	.	.	H	α-helix	trans	-58.6	-53.4	175.2	167.5	-97.8	0	0	0	111.5	Y220 I223 E224 Y227 S325 Y326 W331 I332 T333	Y220-Y329 PolarHBondContact OH-OH 3.29Å; I223-Y329 HydrophobicContact CG2-CD2 4.35Å; I223-Y329 HydrophobicContact CG2-CE2 3.82Å; E224-Y329 HydrophobicContact CG-CE1 4.15Å; E224-Y329 WeakPolarHBondContact CG-OH 3.14Å; E224-Y329 WeakPolarHBondContact OE1-CE1 3.3Å; E224-Y329 PolarHBondContact OE1-OH 3.15Å; Y227-Y329 HydrophobicContact CD2-CD1 4.29Å; Y227-Y329 AromaticContact CE2-CD1 3.85Å; Y227-Y329 HydrophobicContact CE2-CD1 3.85Å; Y227-Y329 HydrophobicContact CE2-CD2 4.14Å; Y227-Y329 HydrophobicContact CE2-CE1 4.3Å; Y227-Y329 AromaticContact CE2-CG 3.78Å; Y227-Y329 HydrophobicContact CE2-CG 3.78Å; S325-Y329 WeakPolarHBondContact O-CB 3.3Å; S325-Y329 PolarHBondContact O-N 2.88Å; Y326-Y329 HydrophobicContact CD2-CD1 4.29Å; Y326-Y329 HydrophobicContact CE2-CD1 4.36Å; Y326-Y329 PolarHBondContact O-N 3.06Å; Y329-W331 VanDerWaalsContact C-N 3.31Å; Y329-W331 PolarHBondContact O-N 2.9Å; Y329-I332 PolarHBondContact O-N 2.9Å; Y329-T333 HydrophobicContact CD2-CG2 3.85Å; Y329-T333 HydrophobicContact CE1-CG2 4.49Å; Y329-T333 HydrophobicContact CE2-CG2 3.53Å; Y329-T333 HydrophobicContact CG-CG2 4.45Å; Y329-T333 WeakPolarHBondContact O-CB 3.26Å; Y329-T333 WeakPolarHBondContact O-CG2 3.46Å; Y329-T333 PolarHBondContact O-N 3.14Å; Y329-T333 PolarHBondContact O-OG1 3.03Å
330	Q	81.1	Confident	80.8	Confident	24 Å²	24	46.7 Å²	46.7	11%	0.112	26%	0.255	C	S	.	.	H	α-helix	trans	-60.4	-39	178.8	-76.7	-162.7	-32.2	0	0	112.7	Y326 F327 T333 G334 T403	Y326-Q330 HydrophobicContact CD1-CG 4.23Å; Y326-Q330 HydrophobicContact CE1-CG 3.76Å; Y326-Q330 VanDerWaalsContact CE1-NE2 3.29Å; Y326-Q330 HydrophobicContact CE2-CG 4.24Å; Y326-Q330 VanDerWaalsContact CZ-NE2 3.26Å; Y326-Q330 PolarHBondContact O-N 3.04Å; Y326-Q330 PolarHBondContact OH-NE2 3.06Å; F327-Q330 PolarHBondContact O-N 3.01Å; Q330-T333 PolarHBondContact O-OG1 2.73Å; Q330-G334 WeakPolarHBondContact O-CA 3.13Å; Q330-G334 PolarHBondContact O-N 2.9Å; Q330-T403 HydrophobicContact CB-CG2 4.22Å
331	W	82.3	Confident	82.1	Confident	114 Å²	114	45.9 Å²	45.9	43%	0.432	25%	0.247	S	C	.	.	H	α-helix	trans	-65.4	-48.6	177.9	-166.1	72.5	0	0	0	111.5	F327 D328 Y329 I335 M404 P407	F327-W331 VanDerWaalsContact O-CB 3.27Å; F327-W331 WeakPolarHBondContact O-CB 3.41Å; F327-W331 PolarHBondContact O-N 3.36Å; D328-W331 PolarHBondContact O-N 2.79Å; Y329-W331 VanDerWaalsContact C-N 3.31Å; Y329-W331 PolarHBondContact O-N 2.9Å; W331-I335 HydrophobicContact CD2-CD1 3.69Å; W331-I335 HydrophobicContact CE3-CD1 4.11Å; W331-I335 HydrophobicContact CG-CD1 4.23Å; W331-I335 HydrophobicContact CH2-CD1 3.94Å; W331-I335 HydrophobicContact CZ2-CD1 3.5Å; W331-I335 HydrophobicContact CZ3-CD1 4.22Å; W331-I335 WeakPolarHBondContact O-CB 3.18Å; W331-I335 VanDerWaalsContact O-CG1 3.31Å; W331-I335 WeakPolarHBondContact O-CG1 3.37Å; W331-I335 PolarHBondContact O-N 3.26Å; W331-I335 VanDerWaalsContact O-N 3.12Å; W331-M404 VanDerWaalsContact CD1-O 3.27Å; W331-P407 HydrophobicContact CB-CG 4.08Å; W331-P407 HydrophobicContact CG-CG 4.38Å
332	I	85.5	Confident	83	Confident	89 Å²	89	40.7 Å²	40.7	46%	0.456	22%	0.223	S	C	.	.	H	α-helix	trans	-64.7	-46	-179.9	-68.4	166.9	0	0	0	110.4	D328 Y329 T336	D328-I332 WeakPolarHBondContact O-CB 3.26Å; D328-I332 WeakPolarHBondContact O-CD1 3.5Å; D328-I332 WeakPolarHBondContact O-CG1 3.4Å; D328-I332 PolarHBondContact O-N 3.13Å; Y329-I332 PolarHBondContact O-N 2.9Å; I332-T336 HydrophobicContact CG2-CG2 4.45Å; I332-T336 VanDerWaalsContact O-CB 3.3Å; I332-T336 WeakPolarHBondContact O-CB 3.24Å; I332-T336 WeakPolarHBondContact O-CG2 3.38Å; I332-T336 PolarHBondContact O-N 3.4Å; I332-T336 PolarHBondContact O-OG1 2.84Å
333	T	84.2	Confident	84.2	Confident	15 Å²	15	43.2 Å²	43.2	9%	0.092	24%	0.236	C	C	.	.	H	α-helix	trans	-72.5	-40.5	-178.8	59.5	0	0	0	0	112.2	Y220 Y329 Q330 I335 I337 D338	Y220-T333 WeakPolarHBondContact OH-CB 3.36Å; Y220-T333 WeakPolarHBondContact OH-CG2 3.5Å; Y329-T333 HydrophobicContact CD2-CG2 3.85Å; Y329-T333 HydrophobicContact CE1-CG2 4.49Å; Y329-T333 HydrophobicContact CE2-CG2 3.53Å; Y329-T333 HydrophobicContact CG-CG2 4.45Å; Y329-T333 WeakPolarHBondContact O-CB 3.26Å; Y329-T333 WeakPolarHBondContact O-CG2 3.46Å; Y329-T333 PolarHBondContact O-N 3.14Å; Y329-T333 PolarHBondContact O-OG1 3.03Å; Q330-T333 PolarHBondContact O-OG1 2.73Å; T333-I335 VanDerWaalsContact C-N 3.33Å; T333-I335 PolarHBondContact O-N 2.9Å; T333-I337 HydrophobicContact CG2-CD1 4.22Å; T333-I337 CarbonylContact O-C 2.89Å; T333-I337 WeakPolarHBondContact O-CA 3.26Å; T333-I337 WeakPolarHBondContact O-CB 3.47Å; T333-I337 PolarHBondContact O-N 2.59Å; T333-D338 PolarHBondContact O-N 3.32Å
334	G	82.2	Confident	85.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.254	C	S	.	.	I	π-helix	trans	-55.8	-44.7	174.3	0	0	0	0	0	112.8	Q330 C339	Q330-G334 WeakPolarHBondContact O-CA 3.13Å; Q330-G334 PolarHBondContact O-N 2.9Å; G334-C339 VanDerWaalsContact O-CB 3.22Å; G334-C339 WeakPolarHBondContact O-CB 3.48Å; G334-C339 PolarHBondContact O-N 2.95Å
335	I	84.1	Confident	86.3	Confident	49 Å²	49	44.3 Å²	44.3	25%	0.251	23%	0.234	S	C	.	.	I	π-helix	trans	-74	-58.6	176.6	-66.8	171.2	0	0	0	111.7	W331 T333 S340 M404	W331-I335 HydrophobicContact CD2-CD1 3.69Å; W331-I335 HydrophobicContact CE3-CD1 4.11Å; W331-I335 HydrophobicContact CG-CD1 4.23Å; W331-I335 HydrophobicContact CH2-CD1 3.94Å; W331-I335 HydrophobicContact CZ2-CD1 3.5Å; W331-I335 HydrophobicContact CZ3-CD1 4.22Å; W331-I335 WeakPolarHBondContact O-CB 3.18Å; W331-I335 VanDerWaalsContact O-CG1 3.31Å; W331-I335 WeakPolarHBondContact O-CG1 3.37Å; W331-I335 PolarHBondContact O-N 3.26Å; W331-I335 VanDerWaalsContact O-N 3.12Å; T333-I335 VanDerWaalsContact C-N 3.33Å; T333-I335 PolarHBondContact O-N 2.9Å; I335-S340 PolarHBondContact O-OG 3.47Å; I335-M404 HydrophobicContact CD1-CE 4.02Å; I335-M404 HydrophobicContact CD1-CG 4.05Å; I335-M404 HydrophobicContact CD1-SD 4.31Å; I335-M404 HydrophobicContact CG1-CB 4.18Å; I335-M404 HydrophobicContact CG1-CE 4.04Å; I335-M404 HydrophobicContact CG1-CG 3.6Å; I335-M404 HydrophobicContact CG1-SD 3.71Å
336	T	85.8	Confident	87	Confident	80 Å²	80	43.6 Å²	43.6	49%	0.491	23%	0.227	S	C	.	.	I	π-helix	trans	-83	-24.1	-164.1	64.8	0	0	0	0	113.6	I332 S340	I332-T336 HydrophobicContact CG2-CG2 4.45Å; I332-T336 VanDerWaalsContact O-CB 3.3Å; I332-T336 WeakPolarHBondContact O-CB 3.24Å; I332-T336 WeakPolarHBondContact O-CG2 3.38Å; I332-T336 PolarHBondContact O-N 3.4Å; I332-T336 PolarHBondContact O-OG1 2.84Å; T336-S340 VanDerWaalsContact O-CB 3.29Å; T336-S340 WeakPolarHBondContact O-CB 3.17Å; T336-S340 PolarHBondContact O-OG 3.33Å
337	I	87.4	Confident	87.8	Confident	40 Å²	40	46.7 Å²	46.7	21%	0.205	25%	0.25	C	C	.	.	I	π-helix	trans	-110.4	-71.1	-177.4	-60.7	178.5	0	0	0	109	L165 Y220 T333 C339 S340 I341	L165-I337 HydrophobicContact CD1-CG2 4.5Å; Y220-I337 HydrophobicContact CD2-CD1 4.32Å; Y220-I337 HydrophobicContact CE2-CD1 3.38Å; T333-I337 HydrophobicContact CG2-CD1 4.22Å; T333-I337 CarbonylContact O-C 2.89Å; T333-I337 WeakPolarHBondContact O-CA 3.26Å; T333-I337 WeakPolarHBondContact O-CB 3.47Å; T333-I337 PolarHBondContact O-N 2.59Å; I337-C339 PolarHBondContact O-N 3.29Å; I337-S340 PolarHBondContact O-N 3.05Å; I337-I341 HydrophobicContact CG2-CD1 3.65Å; I337-I341 WeakPolarHBondContact O-CB 3.4Å; I337-I341 WeakPolarHBondContact O-CG1 3.39Å; I337-I341 PolarHBondContact O-N 3.38Å
338	D	87.1	Confident	88.6	Confident	40 Å²	40	45.7 Å²	45.7	21%	0.214	25%	0.245	C	C	.	.	I	π-helix	trans	-61.7	-50	-170.3	-86.2	-6.2	0	0	0	113.2	T333 A342 A400	T333-D338 PolarHBondContact O-N 3.32Å; D338-A342 VanDerWaalsContact O-CB 3.23Å; D338-A342 WeakPolarHBondContact O-CB 3.39Å; D338-A342 PolarHBondContact O-N 3.43Å; D338-A400 HydrophobicContact CB-CB 3.79Å
339	C	90.2	Very high	89.1	Confident	21 Å²	21	41 Å²	41	14%	0.142	22%	0.22	C	C	.	.	I	π-helix	trans	-65.9	-45.1	180	-171.4	0	0	0	0	111.3	G334 I337 I341 A342 L343 A400	G334-C339 VanDerWaalsContact O-CB 3.22Å; G334-C339 WeakPolarHBondContact O-CB 3.48Å; G334-C339 PolarHBondContact O-N 2.95Å; I337-C339 PolarHBondContact O-N 3.29Å; C339-I341 PolarHBondContact O-N 2.9Å; C339-A342 PolarHBondContact O-N 3.02Å; C339-L343 WeakPolarHBondContact O-CB 3.27Å; C339-L343 VanDerWaalsContact O-CG 3.27Å; C339-L343 WeakPolarHBondContact O-CG 3.45Å; C339-L343 PolarHBondContact O-N 3.32Å; C339-A400 HydrophobicContact CB-CB 4.18Å
340	S	92.9	Very high	89.6	Confident	62 Å²	62	44.2 Å²	44.2	43%	0.434	24%	0.239	S	C	.	.	H	α-helix	trans	-61.2	-42.4	178.6	-66.6	0	0	0	0	112.4	I335 T336 I337 L344	I335-S340 PolarHBondContact O-OG 3.47Å; T336-S340 VanDerWaalsContact O-CB 3.29Å; T336-S340 WeakPolarHBondContact O-CB 3.17Å; T336-S340 PolarHBondContact O-OG 3.33Å; I337-S340 PolarHBondContact O-N 3.05Å; S340-L344 WeakPolarHBondContact O-CB 3.44Å; S340-L344 PolarHBondContact O-N 2.97Å
341	I	92.9	Very high	90.1	Very high	25 Å²	25	44.6 Å²	44.6	13%	0.128	25%	0.246	C	C	.	.	H	α-helix	trans	-74	-37.2	179.4	-69.5	178.4	0	0	0	111.2	L165 I168 L169 I172 I337 C339 L344 N345	L165-I341 HydrophobicContact CD1-CD1 4.03Å; I168-I341 HydrophobicContact CB-CG2 3.62Å; I168-I341 HydrophobicContact CD1-CG2 3.97Å; I168-I341 HydrophobicContact CG1-CG2 4.34Å; I168-I341 HydrophobicContact CG2-CG2 3.32Å; L169-I341 HydrophobicContact CD2-CD1 4.46Å; I172-I341 HydrophobicContact CD1-CB 4.47Å; I172-I341 HydrophobicContact CD1-CG2 3.63Å; I337-I341 HydrophobicContact CG2-CD1 3.65Å; I337-I341 WeakPolarHBondContact O-CB 3.4Å; I337-I341 WeakPolarHBondContact O-CG1 3.39Å; I337-I341 PolarHBondContact O-N 3.38Å; C339-I341 PolarHBondContact O-N 2.9Å; I341-L344 PolarHBondContact O-N 3.28Å; I341-N345 PolarHBondContact O-N 3.49Å
342	A	91.6	Very high	90.4	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-63.8	-46.6	173.7	0	0	0	0	0	111.6	D338 C339 N345 I346 R396	D338-A342 VanDerWaalsContact O-CB 3.23Å; D338-A342 WeakPolarHBondContact O-CB 3.39Å; D338-A342 PolarHBondContact O-N 3.43Å; C339-A342 PolarHBondContact O-N 3.02Å; A342-N345 PolarHBondContact O-N 2.89Å; A342-I346 WeakPolarHBondContact O-CG1 3.19Å; A342-I346 PolarHBondContact O-N 2.89Å; A342-R396 HydrophobicContact CB-CB 4.29Å
343	L	94.4	Very high	90.6	Very high	81 Å²	81	37 Å²	37	42%	0.424	21%	0.214	S	C	.	.	H	α-helix	trans	-64.2	-42.4	175.2	-69.4	173	0	0	0	111.8	C339 N345 I346 C347 L397	C339-L343 WeakPolarHBondContact O-CB 3.27Å; C339-L343 VanDerWaalsContact O-CG 3.27Å; C339-L343 WeakPolarHBondContact O-CG 3.45Å; C339-L343 PolarHBondContact O-N 3.32Å; L343-N345 VanDerWaalsContact C-N 3.3Å; L343-N345 PolarHBondContact O-N 3.38Å; L343-I346 PolarHBondContact O-N 3.46Å; L343-I346 VanDerWaalsContact O-N 3.14Å; L343-C347 WeakPolarHBondContact O-CB 3.2Å; L343-C347 PolarHBondContact O-N 3.42Å; L343-C347 PolarHBondContact O-SG 3.04Å; L343-C347 VanDerWaalsContact O-SG 3.38Å; L343-L397 HydrophobicContact CD2-CD1 4.27Å; L343-L397 HydrophobicContact CG-CD1 4.4Å
344	L	94.3	Very high	90.7	Very high	81 Å²	81	44.8 Å²	44.8	42%	0.424	24%	0.242	S	C	.	.	H	α-helix	trans	-58.7	-40.2	176.4	178.8	57	0	0	0	111.9	I172 S340 I341 C347 I348	I172-L344 HydrophobicContact CD1-CD2 3.93Å; I172-L344 HydrophobicContact CD1-CG 4.24Å; S340-L344 WeakPolarHBondContact O-CB 3.44Å; S340-L344 PolarHBondContact O-N 2.97Å; I341-L344 PolarHBondContact O-N 3.28Å; L344-C347 PolarHBondContact O-N 3.32Å; L344-I348 HydrophobicContact CD1-CD1 3.83Å; L344-I348 HydrophobicContact CD1-CG1 4.09Å; L344-I348 HydrophobicContact CG-CD1 3.77Å; L344-I348 HydrophobicContact CG-CG1 4.49Å; L344-I348 WeakPolarHBondContact O-CB 3.45Å; L344-I348 WeakPolarHBondContact O-CD1 2.88Å; L344-I348 VanDerWaalsContact O-CG1 3.23Å; L344-I348 WeakPolarHBondContact O-CG1 3.48Å; L344-I348 PolarHBondContact O-N 3.14Å
345	N	94	Very high	90.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63	-42.9	174	-104.3	-31.7	0	0	0	113	I168 T171 I172 I341 A342 L343 I348 G349	I168-N345 WeakPolarHBondContact CG2-ND2 3.41Å; T171-N345 WeakPolarHBondContact CG2-OD1 3.4Å; I172-N345 WeakPolarHBondContact CG1-OD1 3.44Å; I341-N345 PolarHBondContact O-N 3.49Å; A342-N345 PolarHBondContact O-N 2.89Å; L343-N345 VanDerWaalsContact C-N 3.3Å; L343-N345 PolarHBondContact O-N 3.38Å; N345-I348 PolarHBondContact O-N 3.27Å; N345-G349 PolarHBondContact O-N 2.99Å
346	I	95.6	Very high	90.4	Very high	24 Å²	24	44.9 Å²	44.9	12%	0.123	24%	0.243	C	C	.	.	H	α-helix	trans	-62.5	-46.9	174.8	-62.4	167.3	0	0	0	109.7	A342 L343 I348 G349 L350 L394	A342-I346 WeakPolarHBondContact O-CG1 3.19Å; A342-I346 PolarHBondContact O-N 2.89Å; L343-I346 PolarHBondContact O-N 3.46Å; L343-I346 VanDerWaalsContact O-N 3.14Å; I346-I348 PolarHBondContact O-N 3.37Å; I346-G349 PolarHBondContact O-N 3.31Å; I346-L350 HydrophobicContact CG2-CD1 3.82Å; I346-L350 HydrophobicContact CG2-CG 4.28Å; I346-L350 WeakPolarHBondContact O-CB 3.41Å; I346-L350 VanDerWaalsContact O-CG 3.3Å; I346-L350 WeakPolarHBondContact O-CG 3.44Å; I346-L350 PolarHBondContact O-N 3.24Å; I346-L394 HydrophobicContact CD1-CD2 3.86Å; I346-L394 HydrophobicContact CD1-CG 4.17Å; I346-L394 HydrophobicContact CG1-CG 4.44Å
347	C	95.9	Very high	90.1	Very high	80 Å²	80	46.5 Å²	46.5	54%	0.541	24%	0.243	S	C	.	.	H	α-helix	trans	-60.1	-42.1	177.1	-72.9	0	0	0	0	112.9	L343 L344 A351	L343-C347 WeakPolarHBondContact O-CB 3.2Å; L343-C347 PolarHBondContact O-N 3.42Å; L343-C347 PolarHBondContact O-SG 3.04Å; L343-C347 VanDerWaalsContact O-SG 3.38Å; L344-C347 PolarHBondContact O-N 3.32Å; C347-A351 VanDerWaalsContact O-CB 3.25Å; C347-A351 WeakPolarHBondContact O-CB 3.27Å; C347-A351 PolarHBondContact O-N 2.92Å
348	I	93.6	Very high	89.5	Confident	10 Å²	10	47.9 Å²	47.9	5%	0.051	25%	0.25	C	S	.	.	H	α-helix	trans	-65.3	-46.4	176.1	-71.4	160.7	0	0	0	110.4	I172 I176 L344 N345 I346 L350 A351 I352	I172-I348 HydrophobicContact CB-CD1 4.35Å; I172-I348 HydrophobicContact CG1-CD1 4.14Å; I172-I348 HydrophobicContact CG2-CD1 3.93Å; I176-I348 HydrophobicContact CD1-CD1 4.16Å; I176-I348 HydrophobicContact CG1-CD1 3.89Å; I176-I348 HydrophobicContact CG1-CG1 4.4Å; L344-I348 HydrophobicContact CD1-CD1 3.83Å; L344-I348 HydrophobicContact CD1-CG1 4.09Å; L344-I348 HydrophobicContact CG-CD1 3.77Å; L344-I348 HydrophobicContact CG-CG1 4.49Å; L344-I348 WeakPolarHBondContact O-CB 3.45Å; L344-I348 WeakPolarHBondContact O-CD1 2.88Å; L344-I348 VanDerWaalsContact O-CG1 3.23Å; L344-I348 WeakPolarHBondContact O-CG1 3.48Å; L344-I348 PolarHBondContact O-N 3.14Å; N345-I348 PolarHBondContact O-N 3.27Å; I346-I348 PolarHBondContact O-N 3.37Å; I348-L350 PolarHBondContact O-N 3.28Å; I348-A351 WeakPolarHBondContact O-CB 3.31Å; I348-A351 PolarHBondContact O-N 3.17Å; I348-A351 VanDerWaalsContact O-N 3.16Å; I348-I352 HydrophobicContact CG2-CD1 4.01Å; I348-I352 VanDerWaalsContact O-CG1 3.32Å; I348-I352 WeakPolarHBondContact O-CG1 3.26Å; I348-I352 PolarHBondContact O-N 2.63Å
349	G	93.1	Very high	88.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60.8	-45.4	176.8	0	0	0	0	0	112.8	N345 I346 A351 I352 I353 S386	N345-G349 PolarHBondContact O-N 2.99Å; I346-G349 PolarHBondContact O-N 3.31Å; G349-A351 VanDerWaalsContact C-N 3.31Å; G349-A351 PolarHBondContact O-N 3.26Å; G349-I352 PolarHBondContact O-N 3.2Å; G349-I353 PolarHBondContact O-N 3.33Å; G349-S386 VanDerWaalsContact C-OG 3.31Å; G349-S386 PolarHBondContact O-OG 2.76Å
350	L	94	Very high	87.4	Confident	92 Å²	92	48.5 Å²	48.5	48%	0.482	25%	0.252	S	S	.	.	H	α-helix	trans	-64.4	-33.6	174	-69.1	175.4	0	0	0	112.3	I346 I348 I353 R354 I390	I346-L350 HydrophobicContact CG2-CD1 3.82Å; I346-L350 HydrophobicContact CG2-CG 4.28Å; I346-L350 WeakPolarHBondContact O-CB 3.41Å; I346-L350 VanDerWaalsContact O-CG 3.3Å; I346-L350 WeakPolarHBondContact O-CG 3.44Å; I346-L350 PolarHBondContact O-N 3.24Å; I348-L350 PolarHBondContact O-N 3.28Å; L350-I353 PolarHBondContact O-N 3.15Å; L350-R354 VanDerWaalsContact O-CB 3.25Å; L350-R354 WeakPolarHBondContact O-CB 3.3Å; L350-R354 PolarHBondContact O-N 2.93Å; L350-I390 HydrophobicContact CD2-CD1 4.03Å; L350-I390 HydrophobicContact CG-CD1 4.33Å
351	A	91	Very high	85.8	Confident	33 Å²	33	51.7 Å²	51.7	27%	0.273	26%	0.264	S	S	.	.	H	α-helix	trans	-67.7	-38.5	173.2	0	0	0	0	0	112.4	L179 C347 I348 G349 R354 A355	L179-A351 HydrophobicContact CD1-CB 4.14Å; L179-A351 HydrophobicContact CD2-CB 4.09Å; C347-A351 VanDerWaalsContact O-CB 3.25Å; C347-A351 WeakPolarHBondContact O-CB 3.27Å; C347-A351 PolarHBondContact O-N 2.92Å; I348-A351 WeakPolarHBondContact O-CB 3.31Å; I348-A351 PolarHBondContact O-N 3.17Å; I348-A351 VanDerWaalsContact O-N 3.16Å; G349-A351 VanDerWaalsContact C-N 3.31Å; G349-A351 PolarHBondContact O-N 3.26Å; A351-R354 PolarHBondContact O-N 3.04Å; A351-A355 WeakPolarHBondContact O-CB 3.45Å; A351-A355 PolarHBondContact O-N 3.28Å
352	I	88.8	Confident	84.2	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-63.1	-47.2	173	-65.6	162.6	0	0	0	110.2	T178 L179 L182 I348 G349 R354 A355 Y356 V382	T178-I352 HydrophobicContact CG2-CD1 4.25Å; T178-I352 HydrophobicContact CG2-CG1 4.48Å; T178-I352 HydrophobicContact CG2-CG2 4.16Å; L179-I352 HydrophobicContact CB-CG1 4.12Å; L179-I352 HydrophobicContact CD1-CG1 4.27Å; L182-I352 HydrophobicContact CD1-CG2 3.95Å; I348-I352 HydrophobicContact CG2-CD1 4.01Å; I348-I352 VanDerWaalsContact O-CG1 3.32Å; I348-I352 WeakPolarHBondContact O-CG1 3.26Å; I348-I352 PolarHBondContact O-N 2.63Å; G349-I352 PolarHBondContact O-N 3.2Å; I352-R354 VanDerWaalsContact C-N 3.34Å; I352-R354 PolarHBondContact O-N 3.4Å; I352-A355 PolarHBondContact O-N 2.99Å; I352-Y356 WeakPolarHBondContact O-CB 3.28Å; I352-Y356 PolarHBondContact O-N 3.35Å; I352-V382 HydrophobicContact CG2-CG1 3.61Å
353	I	88.5	Confident	82.5	Confident	41 Å²	41	57.8 Å²	57.8	21%	0.21	30%	0.295	C	S	.	.	H	α-helix	trans	-61.3	-41.1	175.3	-83.1	165.1	0	0	0	111.6	G349 L350 F357 L383 S386 I390	G349-I353 PolarHBondContact O-N 3.33Å; L350-I353 PolarHBondContact O-N 3.15Å; I353-F357 HydrophobicContact CG2-CD2 3.7Å; I353-F357 HydrophobicContact CG2-CE2 3.77Å; I353-F357 VanDerWaalsContact O-CD2 3.31Å; I353-F357 WeakPolarHBondContact O-CD2 3.42Å; I353-F357 PolarHBondContact O-N 3.09Å; I353-L383 HydrophobicContact CD1-CD1 4.43Å; I353-L383 HydrophobicContact CG1-CD1 4.07Å; I353-S386 WeakPolarHBondContact CD1-OG 3.24Å; I353-S386 VanDerWaalsContact CG1-OG 3.28Å; I353-S386 WeakPolarHBondContact CG1-OG 3.14Å; I353-I390 HydrophobicContact CD1-CD1 3.68Å
354	R	88	Confident	80.6	Confident	180 Å²	180	57.6 Å²	57.6	68%	0.679	29%	0.288	S	S	*	.	H	α-helix	trans	-65.4	-46.2	178	179.9	178.4	174.4	-169.5	-1.7	111.8	L350 A351 I352 F357 I358	L350-R354 VanDerWaalsContact O-CB 3.25Å; L350-R354 WeakPolarHBondContact O-CB 3.3Å; L350-R354 PolarHBondContact O-N 2.93Å; A351-R354 PolarHBondContact O-N 3.04Å; I352-R354 VanDerWaalsContact C-N 3.34Å; I352-R354 PolarHBondContact O-N 3.4Å; R354-F357 PolarHBondContact O-N 2.91Å; R354-I358 HydrophobicContact CG-CD1 3.79Å; R354-I358 WeakPolarHBondContact O-CB 3.2Å; R354-I358 VanDerWaalsContact O-CG1 3.23Å; R354-I358 WeakPolarHBondContact O-CG1 3.21Å; R354-I358 PolarHBondContact O-N 2.87Å
355	A	80.9	Confident	78.7	Confident	15 Å²	15	57.9 Å²	57.9	12%	0.124	30%	0.295	C	S	.	.	H	α-helix	trans	-60.1	-52.3	175.4	0	0	0	0	0	110.3	L179 L182 A351 I352 F357 I358 D359	L179-A355 HydrophobicContact CD1-CB 4.22Å; L182-A355 HydrophobicContact CB-CB 4.48Å; L182-A355 HydrophobicContact CD1-CB 3.96Å; A351-A355 WeakPolarHBondContact O-CB 3.45Å; A351-A355 PolarHBondContact O-N 3.28Å; I352-A355 PolarHBondContact O-N 2.99Å; A355-F357 VanDerWaalsContact C-N 3.33Å; A355-F357 PolarHBondContact O-N 3.18Å; A355-I358 WeakPolarHBondContact O-CB 3.37Å; A355-I358 PolarHBondContact O-N 2.99Å; A355-D359 VanDerWaalsContact O-CG 3.26Å; A355-D359 PolarHBondContact O-N 2.7Å
356	Y	78.2	Confident	76.8	Confident	36 Å²	36	67.4 Å²	67.4	14%	0.141	33%	0.331	C	S	.	.	H	α-helix	trans	-47.2	-51	175.2	175.2	-77.6	0	0	0	112.7	I352 D359 D360 Q379 V382	I352-Y356 WeakPolarHBondContact O-CB 3.28Å; I352-Y356 PolarHBondContact O-N 3.35Å; Y356-D359 PolarHBondContact O-N 3Å; Y356-D360 WeakPolarHBondContact CE1-OD2 2.98Å; Y356-D360 VanDerWaalsContact CZ-OD2 3.24Å; Y356-D360 PolarHBondContact O-N 3.39Å; Y356-D360 PolarHBondContact OH-OD2 2.78Å; Y356-Q379 HydrophobicContact CE2-CB 3.72Å; Y356-Q379 HydrophobicContact CE2-CG 3.71Å; Y356-Q379 WeakPolarHBondContact CE2-O 3.24Å; Y356-Q379 WeakPolarHBondContact OH-CB 3.48Å; Y356-Q379 WeakPolarHBondContact OH-CG 3.48Å; Y356-Q379 PolarHBondContact OH-NE2 3.37Å; Y356-Q379 VanDerWaalsContact OH-NE2 3.12Å; Y356-V382 HydrophobicContact CD2-CB 4.42Å; Y356-V382 HydrophobicContact CD2-CG1 4.14Å
357	F	79.2	Confident	74.7	Confident	114 Å²	114	74.1 Å²	74.1	50%	0.5	36%	0.356	S	S	.	.	H	α-helix	trans	-72.9	-31.1	-179.5	-81.4	-57.2	0	0	0	113.5	I353 R354 A355 D359 L361	I353-F357 HydrophobicContact CG2-CD2 3.7Å; I353-F357 HydrophobicContact CG2-CE2 3.77Å; I353-F357 VanDerWaalsContact O-CD2 3.31Å; I353-F357 WeakPolarHBondContact O-CD2 3.42Å; I353-F357 PolarHBondContact O-N 3.09Å; R354-F357 PolarHBondContact O-N 2.91Å; A355-F357 VanDerWaalsContact C-N 3.33Å; A355-F357 PolarHBondContact O-N 3.18Å; F357-D359 VanDerWaalsContact C-N 3.34Å; F357-L361 VanDerWaalsContact O-CB 3.24Å; F357-L361 WeakPolarHBondContact O-CB 3.37Å; F357-L361 WeakPolarHBondContact O-CD1 3.33Å; F357-L361 WeakPolarHBondContact O-CG 3.37Å; F357-L361 PolarHBondContact O-N 2.89Å
358	I	75.4	Confident	72.4	Confident	69 Å²	69	73.1 Å²	73.1	35%	0.354	35%	0.353	S	S	.	.	H	α-helix	trans	-63.9	-42.7	173.6	-76.3	170.4	0	0	0	110.3	R354 A355 L361 I362	R354-I358 HydrophobicContact CG-CD1 3.79Å; R354-I358 WeakPolarHBondContact O-CB 3.2Å; R354-I358 VanDerWaalsContact O-CG1 3.23Å; R354-I358 WeakPolarHBondContact O-CG1 3.21Å; R354-I358 PolarHBondContact O-N 2.87Å; A355-I358 WeakPolarHBondContact O-CB 3.37Å; A355-I358 PolarHBondContact O-N 2.99Å; I358-L361 PolarHBondContact O-N 2.67Å; I358-I362 HydrophobicContact CG2-CD1 4.1Å; I358-I362 WeakPolarHBondContact O-CB 3.06Å; I358-I362 WeakPolarHBondContact O-CG1 3.17Å; I358-I362 PolarHBondContact O-N 3.26Å
359	D	66.6	Low	70.4	Confident	37 Å²	37	82 Å²	82	20%	0.198	40%	0.395	C	S	.	.	I	π-helix	trans	-68.4	-41.9	178.9	-57.6	-30.5	0	0	0	111.3	A355 Y356 F357 L361 I363 R364	A355-D359 VanDerWaalsContact O-CG 3.26Å; A355-D359 PolarHBondContact O-N 2.7Å; Y356-D359 PolarHBondContact O-N 3Å; F357-D359 VanDerWaalsContact C-N 3.34Å; D359-L361 PolarHBondContact O-N 3.2Å; D359-I363 HydrophobicContact CB-CD1 4.27Å; D359-I363 WeakPolarHBondContact O-CB 3.36Å; D359-I363 PolarHBondContact O-N 3.28Å; D359-I363 WeakPolarHBondContact OD1-CD1 3.36Å; D359-R364 PolarHBondContact O-N 2.87Å; D359-R364 VanDerWaalsContact O-N 3.16Å
360	D	65.7	Low	68.4	Low	36 Å²	36	86.9 Å²	86.9	19%	0.193	43%	0.429	C	S	.	.	I	π-helix	trans	-63.2	-36.6	175.3	-118.3	-21.3	0	0	0	112.7	Y356 R364 Q379	Y356-D360 WeakPolarHBondContact CE1-OD2 2.98Å; Y356-D360 VanDerWaalsContact CZ-OD2 3.24Å; Y356-D360 PolarHBondContact O-N 3.39Å; Y356-D360 PolarHBondContact OH-OD2 2.78Å; D360-R364 VanDerWaalsContact O-CB 3.29Å; D360-R364 WeakPolarHBondContact O-CB 3.26Å; D360-R364 WeakPolarHBondContact OD1-CD 3.41Å; D360-R364 IonicContact OD1-CZ 3.56Å; D360-R364 IonicContact OD1-NE 3.06Å; D360-R364 IonicContact OD1-NH1 2.77Å; D360-R364 PolarHBondContact OD1-NH1 3.16Å; D360-R364 IonicContact OD2-NH1 3.64Å; D360-Q379 PolarHBondContact OD1-NE2 2.87Å; D360-Q379 PolarHBondContact OD2-NE2 2.69Å
361	L	61.2	Low	66.2	Low	130 Å²	130	89.2 Å²	89.2	68%	0.681	43%	0.431	S	S	*	.	I	π-helix	trans	-88.4	-40.4	-176.4	-72.1	169.1	0	0	0	114.3	F357 I358 D359 P365	F357-L361 VanDerWaalsContact O-CB 3.24Å; F357-L361 WeakPolarHBondContact O-CB 3.37Å; F357-L361 WeakPolarHBondContact O-CD1 3.33Å; F357-L361 WeakPolarHBondContact O-CG 3.37Å; F357-L361 PolarHBondContact O-N 2.89Å; I358-L361 PolarHBondContact O-N 2.67Å; D359-L361 PolarHBondContact O-N 3.2Å; L361-P365 WeakPolarHBondContact O-CD 3.37Å; L361-P365 WeakPolarHBondContact O-CG 3.36Å
362	I	58.7	Low	64.1	Low	101 Å²	101	91.5 Å²	91.5	52%	0.518	44%	0.442	S	S	.	.	I	π-helix	trans	-98.3	-42.9	-169.7	-56.2	-172.3	0	0	0	112	I358	I358-I362 HydrophobicContact CG2-CD1 4.1Å; I358-I362 WeakPolarHBondContact O-CB 3.06Å; I358-I362 WeakPolarHBondContact O-CG1 3.17Å; I358-I362 PolarHBondContact O-N 3.26Å
363	I	56.6	Low	62	Low	53 Å²	53	96.8 Å²	96.8	27%	0.272	47%	0.474	S	S	.	.	I	π-helix	trans	-87.5	-47.1	-172.3	-53.3	178.9	0	0	0	110.3	D359 R366 Y367	D359-I363 HydrophobicContact CB-CD1 4.27Å; D359-I363 WeakPolarHBondContact O-CB 3.36Å; D359-I363 PolarHBondContact O-N 3.28Å; D359-I363 WeakPolarHBondContact OD1-CD1 3.36Å; I363-R366 PolarHBondContact O-N 3.19Å; I363-Y367 HydrophobicContact CG2-CD2 4.26Å; I363-Y367 HydrophobicContact CG2-CE2 4.27Å
364	R	53.9	Low	60	Low	76 Å²	76	98.3 Å²	98.3	29%	0.287	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-55.4	-42	-173.7	-146.6	169.8	-165.9	-172	12.2	116.1	D359 D360 R366 Y367 S375 Q379	D359-R364 PolarHBondContact O-N 2.87Å; D359-R364 VanDerWaalsContact O-N 3.16Å; D360-R364 VanDerWaalsContact O-CB 3.29Å; D360-R364 WeakPolarHBondContact O-CB 3.26Å; D360-R364 WeakPolarHBondContact OD1-CD 3.41Å; D360-R364 IonicContact OD1-CZ 3.56Å; D360-R364 IonicContact OD1-NE 3.06Å; D360-R364 IonicContact OD1-NH1 2.77Å; D360-R364 PolarHBondContact OD1-NH1 3.16Å; D360-R364 IonicContact OD2-NH1 3.64Å; R364-R366 PolarHBondContact O-N 2.8Å; R364-Y367 PolarHBondContact O-N 3.04Å; R364-S375 PolarHBondContact NE-OG 3.29Å; R364-S375 PolarHBondContact NH2-OG 3.27Å; R364-Q379 VanDerWaalsContact CZ-NE2 3.28Å; R364-Q379 VanDerWaalsContact CZ-OE1 3.22Å; R364-Q379 VanDerWaalsContact NH2-CD 3.28Å
365	P	54.4	Low	58.2	Low	87 Å²	87	91.7 Å²	91.7	57%	0.565	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-69.2	-13.4	178.3	26.4	-34.5	0	0	0	114.3	L361	L361-P365 WeakPolarHBondContact O-CD 3.37Å; L361-P365 WeakPolarHBondContact O-CG 3.36Å
366	R	52.8	Low	56.6	Low	200 Å²	200	99 Å²	99	76%	0.755	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-85.7	-8.7	-179.7	-66.1	-174.2	174.4	-166.4	-1.9	114.7	I363 R364	I363-R366 PolarHBondContact O-N 3.19Å; R364-R366 PolarHBondContact O-N 2.8Å
367	Y	53	Low	55.1	Low	165 Å²	165	102.7 Å²	102.7	65%	0.647	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-136.7	36.9	-175.1	-60.6	-75.9	0	0	0	112.4	I363 R364 E369	I363-Y367 HydrophobicContact CG2-CD2 4.26Å; I363-Y367 HydrophobicContact CG2-CE2 4.27Å; R364-Y367 PolarHBondContact O-N 3.04Å; Y367-E369 PolarHBondContact O-N 3.48Å
368	A	47.4	Very low	54	Low	59 Å²	59	100.7 Å²	100.7	49%	0.488	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-21.4	-151.2	0	0	0	0	0	117.4	V372	A368-V372 WeakPolarHBondContact O-CG2 3.44Å
369	E	51.1	Low	53.1	Low	197 Å²	197	98.7 Å²	98.7	92%	0.921	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-25.3	-163.3	-67	-170.6	127.7	0	0	116.4	Y367	Y367-E369 PolarHBondContact O-N 3.48Å
370	S	50.6	Low	52.8	Low	103 Å²	103	101.7 Å²	101.7	72%	0.72	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	-17	-170.8	64.2	0	0	0	0	116.5
371	R	49.4	Very low	52.9	Low	141 Å²	141	100.8 Å²	100.8	53%	0.532	49%	0.491	S	S	.	.	S	Bend	trans	-103	-3.4	-169.6	-67.6	-173.3	173.4	-161	-0.3	115.9	T373 I374 S375	R371-T373 VanDerWaalsContact C-N 3.35Å; R371-T373 PolarHBondContact O-N 3.27Å; R371-I374 PolarHBondContact O-N 2.88Å; R371-S375 VanDerWaalsContact O-CB 3.25Å; R371-S375 WeakPolarHBondContact O-CB 3.42Å; R371-S375 PolarHBondContact O-N 2.79Å; R371-S375 VanDerWaalsContact O-N 3.08Å
372	V	46.8	Very low	53.8	Low	81 Å²	81	95.8 Å²	95.8	49%	0.491	47%	0.466	S	S	.	.	H	α-helix	trans	-57.1	-38.8	-164.1	-172.9	0	0	0	0	114.3	A368	A368-V372 WeakPolarHBondContact O-CG2 3.44Å
373	T	43.6	Very low	55	Low	112 Å²	112	93 Å²	93	69%	0.687	45%	0.452	S	S	*	.	H	α-helix	trans	-84	-31.6	-173.5	52.5	0	0	0	0	114.3	R371	R371-T373 VanDerWaalsContact C-N 3.35Å; R371-T373 PolarHBondContact O-N 3.27Å
374	I	47.5	Very low	56.5	Low	73 Å²	73	90.7 Å²	90.7	37%	0.374	44%	0.44	S	S	.	.	H	α-helix	trans	-83.2	-46	179.3	-58.9	163.7	0	0	0	109.9	L105 R371 R376 R377	L105-I374 HydrophobicContact CD1-CB 4.38Å; L105-I374 HydrophobicContact CD1-CD1 4.49Å; L105-I374 HydrophobicContact CD1-CG2 3.67Å; R371-I374 PolarHBondContact O-N 2.88Å; I374-R376 PolarHBondContact O-N 3.25Å; I374-R376 VanDerWaalsContact O-N 3.12Å; I374-R377 PolarHBondContact O-N 3.08Å
375	S	49.4	Very low	58.2	Low	41 Å²	41	87.3 Å²	87.3	29%	0.287	43%	0.427	S	S	.	.	H	α-helix	trans	-53.6	-36	179.3	174.3	0	0	0	0	112.6	R364 R371 R377 Q379	R364-S375 PolarHBondContact NE-OG 3.29Å; R364-S375 PolarHBondContact NH2-OG 3.27Å; R371-S375 VanDerWaalsContact O-CB 3.25Å; R371-S375 WeakPolarHBondContact O-CB 3.42Å; R371-S375 PolarHBondContact O-N 2.79Å; R371-S375 VanDerWaalsContact O-N 3.08Å; S375-R377 PolarHBondContact O-N 2.91Å; S375-R377 VanDerWaalsContact O-N 3.16Å; S375-Q379 WeakPolarHBondContact O-CG 3.46Å
376	R	46.7	Very low	60	Low	169 Å²	169	83.1 Å²	83.1	64%	0.638	40%	0.401	S	S	*	.	H	α-helix	trans	-66.4	-5.8	176.5	-94.8	-173.8	170.7	-173.8	-1.3	116.2	I374	I374-R376 PolarHBondContact O-N 3.25Å; I374-R376 VanDerWaalsContact O-N 3.12Å
377	R	46.4	Very low	61.9	Low	112 Å²	112	74.9 Å²	74.9	42%	0.423	37%	0.371	S	S	.	.	H	α-helix	trans	-86.8	-61.3	175.9	-62.5	-169.3	-175.5	-174.8	4.3	111.1	I374 S375 Q379 F380	I374-R377 PolarHBondContact O-N 3.08Å; S375-R377 PolarHBondContact O-N 2.91Å; S375-R377 VanDerWaalsContact O-N 3.16Å; R377-Q379 PolarHBondContact O-N 3.46Å; R377-F380 PolarHBondContact O-N 3.1Å
378	N	57.1	Low	63.8	Low	72 Å²	72	67.2 Å²	67.2	39%	0.385	34%	0.341	S	S	.	.	H	α-helix	trans	-56.5	-26.4	-177.4	-52.8	34.7	0	0	0	113	Y111 F380 E381 V382	Y111-N378 VanDerWaalsContact OH-CG 3.3Å; Y111-N378 PolarHBondContact OH-ND2 3.38Å; Y111-N378 VanDerWaalsContact OH-ND2 3.08Å; N378-F380 VanDerWaalsContact C-N 3.32Å; N378-F380 PolarHBondContact O-N 2.78Å; N378-E381 WeakPolarHBondContact O-CB 3.23Å; N378-E381 PolarHBondContact O-N 2.95Å; N378-V382 PolarHBondContact O-N 3.12Å
379	Q	56.8	Low	66	Low	27 Å²	27	64.4 Å²	64.4	13%	0.126	32%	0.318	C	S	.	.	H	α-helix	trans	-57.9	-38.3	179.9	-79.6	-172.7	-44.3	0	0	114.4	Y356 D360 R364 S375 R377 L383	Y356-Q379 HydrophobicContact CE2-CB 3.72Å; Y356-Q379 HydrophobicContact CE2-CG 3.71Å; Y356-Q379 WeakPolarHBondContact CE2-O 3.24Å; Y356-Q379 WeakPolarHBondContact OH-CB 3.48Å; Y356-Q379 WeakPolarHBondContact OH-CG 3.48Å; Y356-Q379 PolarHBondContact OH-NE2 3.37Å; Y356-Q379 VanDerWaalsContact OH-NE2 3.12Å; D360-Q379 PolarHBondContact OD1-NE2 2.87Å; D360-Q379 PolarHBondContact OD2-NE2 2.69Å; R364-Q379 VanDerWaalsContact CZ-NE2 3.28Å; R364-Q379 VanDerWaalsContact CZ-OE1 3.22Å; R364-Q379 VanDerWaalsContact NH2-CD 3.28Å; S375-Q379 WeakPolarHBondContact O-CG 3.46Å; R377-Q379 PolarHBondContact O-N 3.46Å; Q379-L383 PolarHBondContact O-N 2.97Å
380	F	59.6	Low	68.1	Low	101 Å²	101	56.5 Å²	56.5	44%	0.443	28%	0.282	S	S	.	.	H	α-helix	trans	-75.7	-33.9	178.2	-77.1	-76.4	0	0	0	111.8	R377 N378 V382 L383 H384 F458	R377-F380 PolarHBondContact O-N 3.1Å; N378-F380 VanDerWaalsContact C-N 3.32Å; N378-F380 PolarHBondContact O-N 2.78Å; F380-V382 VanDerWaalsContact C-N 3.32Å; F380-V382 PolarHBondContact O-N 3.23Å; F380-L383 PolarHBondContact O-N 3.36Å; F380-H384 PolarHBondContact O-N 3.24Å; F380-F458 CarbonylContact C-O 3.57Å; F380-F458 WeakPolarHBondContact CB-O 3.2Å
381	E	68.5	Low	70.2	Confident	16 Å²	16	53.6 Å²	53.6	8%	0.075	26%	0.258	C	S	.	.	H	α-helix	trans	-64.2	-32.8	175.7	-58.5	-176.8	118.3	0	0	113.1	L98 Y111 N378 H384 E461	L98-E381 VanDerWaalsContact CD2-OE1 3.26Å; L98-E381 WeakPolarHBondContact CD2-OE1 3.02Å; Y111-E381 HydrophobicContact CE1-CB 4.5Å; Y111-E381 WeakPolarHBondContact CE1-OE2 3.46Å; Y111-E381 VanDerWaalsContact CZ-OE2 3.27Å; Y111-E381 PolarHBondContact OH-OE2 2.91Å; N378-E381 WeakPolarHBondContact O-CB 3.23Å; N378-E381 PolarHBondContact O-N 2.95Å; E381-H384 PolarHBondContact O-CE1 3.25Å; E381-H384 PolarHBondContact O-ND1 2.95Å; E381-E461 WeakPolarHBondContact CG-OE2 3.48Å
382	V	79.1	Confident	72.3	Confident	25 Å²	25	47 Å²	47	15%	0.152	23%	0.233	C	C	.	.	H	α-helix	trans	-71.7	-44	173	171.2	0	0	0	0	111.3	T178 L182 I352 Y356 N378 F380 H384 I385 S386	T178-V382 HydrophobicContact CG2-CG1 4.22Å; L182-V382 HydrophobicContact CD1-CG1 3.81Å; L182-V382 HydrophobicContact CD2-CG1 4.13Å; L182-V382 HydrophobicContact CD2-CG2 4.1Å; L182-V382 HydrophobicContact CG-CG1 4.27Å; I352-V382 HydrophobicContact CG2-CG1 3.61Å; Y356-V382 HydrophobicContact CD2-CB 4.42Å; Y356-V382 HydrophobicContact CD2-CG1 4.14Å; N378-V382 PolarHBondContact O-N 3.12Å; F380-V382 VanDerWaalsContact C-N 3.32Å; F380-V382 PolarHBondContact O-N 3.23Å; V382-H384 PolarHBondContact O-N 2.97Å; V382-I385 PolarHBondContact O-N 3.23Å; V382-S386 PolarHBondContact O-N 3Å
383	L	84.2	Confident	74.4	Confident	43 Å²	43	43.1 Å²	43.1	23%	0.225	21%	0.209	C	C	.	.	H	α-helix	trans	-65.4	-37.5	-172.6	-173.7	61.2	0	0	0	112.9	I353 Q379 F380 I385 S386 I387 F458	I353-L383 HydrophobicContact CD1-CD1 4.43Å; I353-L383 HydrophobicContact CG1-CD1 4.07Å; Q379-L383 PolarHBondContact O-N 2.97Å; F380-L383 PolarHBondContact O-N 3.36Å; L383-I385 VanDerWaalsContact C-N 3.28Å; L383-I385 PolarHBondContact O-N 3.06Å; L383-S386 PolarHBondContact O-N 2.99Å; L383-I387 HydrophobicContact CD1-CD1 4.29Å; L383-I387 HydrophobicContact CD1-CG1 4.48Å; L383-I387 HydrophobicContact CD2-CD1 4.48Å; L383-I387 HydrophobicContact CG-CD1 3.89Å; L383-I387 HydrophobicContact CG-CG1 4.49Å; L383-I387 WeakPolarHBondContact O-CG1 3.33Å; L383-I387 PolarHBondContact O-N 2.95Å; L383-F458 HydrophobicContact CD2-CD1 4.04Å; L383-F458 HydrophobicContact CD2-CE1 4.35Å; L383-F458 HydrophobicContact CG-CD1 4.38Å
384	H	87.4	Confident	76.8	Confident	5 Å²	5	41.9 Å²	41.9	2%	0.023	20%	0.198	C	C	.	.	H	α-helix	trans	-62.7	-34.7	179.1	88.7	-78.4	0	0	0	112.8	F380 E381 V382 I387 I388 I454 F458 C459	F380-H384 PolarHBondContact O-N 3.24Å; E381-H384 PolarHBondContact O-CE1 3.25Å; E381-H384 PolarHBondContact O-ND1 2.95Å; V382-H384 PolarHBondContact O-N 2.97Å; H384-I387 PolarHBondContact O-N 3.42Å; H384-I388 WeakPolarHBondContact O-CG1 3.44Å; H384-I388 PolarHBondContact O-N 3.38Å; H384-I454 HydrophobicContact CB-CG2 4.48Å; H384-F458 HydrophobicContact CB-CB 3.49Å; H384-F458 VanDerWaalsContact CB-CB 3.49Å; H384-C459 HydrophobicContact CB-CB 4.46Å
385	I	90.1	Very high	79	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-69.1	-42.6	177.9	-62.1	174.8	0	0	0	110.8	L114 L174 T178 V382 L383 I387 I388 C389	L114-I385 HydrophobicContact CD1-CD1 4.27Å; L114-I385 HydrophobicContact CD2-CD1 4.15Å; L174-I385 HydrophobicContact CD1-CD1 4.19Å; L174-I385 HydrophobicContact CD2-CG2 3.94Å; L174-I385 HydrophobicContact CG-CG2 3.73Å; T178-I385 HydrophobicContact CG2-CB 4.39Å; T178-I385 HydrophobicContact CG2-CD1 4.24Å; T178-I385 HydrophobicContact CG2-CG2 4.35Å; T178-I385 VanDerWaalsContact OG1-CD1 3.3Å; T178-I385 WeakPolarHBondContact OG1-CD1 3.43Å; T178-I385 WeakPolarHBondContact OG1-CG2 3.23Å; V382-I385 PolarHBondContact O-N 3.23Å; L383-I385 VanDerWaalsContact C-N 3.28Å; L383-I385 PolarHBondContact O-N 3.06Å; I385-I387 VanDerWaalsContact C-N 3.31Å; I385-I387 PolarHBondContact O-N 3.16Å; I385-I388 PolarHBondContact O-N 3.05Å; I385-C389 PolarHBondContact O-N 2.7Å; I385-C389 PolarHBondContact O-SG 2.78Å
386	S	92	Very high	81	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.4	-42.6	173.6	175.3	0	0	0	0	112	G349 I353 V382 L383 C389 I390	G349-S386 VanDerWaalsContact C-OG 3.31Å; G349-S386 PolarHBondContact O-OG 2.76Å; I353-S386 WeakPolarHBondContact CD1-OG 3.24Å; I353-S386 VanDerWaalsContact CG1-OG 3.28Å; I353-S386 WeakPolarHBondContact CG1-OG 3.14Å; V382-S386 PolarHBondContact O-N 3Å; L383-S386 PolarHBondContact O-N 2.99Å; S386-C389 WeakPolarHBondContact O-CB 3.43Å; S386-C389 PolarHBondContact O-N 3.44Å; S386-C389 VanDerWaalsContact O-N 3.17Å; S386-I390 WeakPolarHBondContact O-CG1 3.42Å; S386-I390 PolarHBondContact O-N 2.79Å
387	I	93.1	Very high	83.1	Confident	27 Å²	27	31.3 Å²	31.3	14%	0.138	15%	0.151	C	C	.	.	H	α-helix	trans	-65.3	-40	178.9	-69.8	171.3	0	0	0	111.1	L383 H384 I385 I390 I391 I454 F458	L383-I387 HydrophobicContact CD1-CD1 4.29Å; L383-I387 HydrophobicContact CD1-CG1 4.48Å; L383-I387 HydrophobicContact CD2-CD1 4.48Å; L383-I387 HydrophobicContact CG-CD1 3.89Å; L383-I387 HydrophobicContact CG-CG1 4.49Å; L383-I387 WeakPolarHBondContact O-CG1 3.33Å; L383-I387 PolarHBondContact O-N 2.95Å; H384-I387 PolarHBondContact O-N 3.42Å; I385-I387 VanDerWaalsContact C-N 3.31Å; I385-I387 PolarHBondContact O-N 3.16Å; I387-I390 PolarHBondContact O-N 2.98Å; I387-I391 HydrophobicContact CG2-CD1 3.64Å; I387-I391 HydrophobicContact CG2-CG1 4.39Å; I387-I391 WeakPolarHBondContact O-CB 3.42Å; I387-I391 WeakPolarHBondContact O-CG1 3.36Å; I387-I391 PolarHBondContact O-N 3.12Å; I387-I454 HydrophobicContact CB-CG2 4.29Å; I387-I454 HydrophobicContact CG2-CD1 4.36Å; I387-I454 HydrophobicContact CG2-CG1 4.12Å; I387-I454 HydrophobicContact CG2-CG2 3.77Å; I387-F458 HydrophobicContact CD1-CD1 3.54Å; I387-F458 HydrophobicContact CD1-CD2 3.71Å; I387-F458 HydrophobicContact CD1-CE1 3.47Å; I387-F458 VanDerWaalsContact CD1-CE1 3.47Å; I387-F458 HydrophobicContact CD1-CE2 3.65Å; I387-F458 HydrophobicContact CD1-CG 3.67Å; I387-F458 HydrophobicContact CD1-CZ 3.53Å
388	I	93.1	Very high	85.3	Confident	4 Å²	4	27.8 Å²	27.8	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-57.7	-50.7	169.9	-68.6	166.8	0	0	0	110	L118 L121 T171 H384 I385 I390 I391 Q392 L451 I454	L118-I388 HydrophobicContact CD2-CD1 3.97Å; L121-I388 HydrophobicContact CD2-CG2 4.1Å; T171-I388 HydrophobicContact CG2-CG2 4.16Å; H384-I388 WeakPolarHBondContact O-CG1 3.44Å; H384-I388 PolarHBondContact O-N 3.38Å; I385-I388 PolarHBondContact O-N 3.05Å; I388-I390 PolarHBondContact O-N 2.84Å; I388-I391 PolarHBondContact O-N 3.38Å; I388-Q392 WeakPolarHBondContact O-CB 3.22Å; I388-Q392 PolarHBondContact O-N 3Å; I388-L451 HydrophobicContact CD1-CD1 4.07Å; I388-L451 HydrophobicContact CG1-CD1 4.44Å; I388-I454 HydrophobicContact CG1-CG2 3.97Å
389	C	93.9	Very high	86.8	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-58.6	-46	-179.3	-61.4	0	0	0	0	112.7	T171 I385 S386 Q392 G393	T171-C389 HydrophobicContact CG2-CB 4.36Å; I385-C389 PolarHBondContact O-N 2.7Å; I385-C389 PolarHBondContact O-SG 2.78Å; S386-C389 WeakPolarHBondContact O-CB 3.43Å; S386-C389 PolarHBondContact O-N 3.44Å; S386-C389 VanDerWaalsContact O-N 3.17Å; C389-Q392 PolarHBondContact O-N 2.84Å; C389-G393 PolarHBondContact O-N 3Å; C389-G393 VanDerWaalsContact O-N 3.1Å
390	I	95	Very high	88.3	Confident	30 Å²	30	23.5 Å²	23.5	15%	0.154	12%	0.121	C	C	.	.	H	α-helix	trans	-66.3	-49.1	-179.6	-69.5	170.6	0	0	0	111	L350 I353 S386 I387 I388 Q392 G393 L394	L350-I390 HydrophobicContact CD2-CD1 4.03Å; L350-I390 HydrophobicContact CG-CD1 4.33Å; I353-I390 HydrophobicContact CD1-CD1 3.68Å; S386-I390 WeakPolarHBondContact O-CG1 3.42Å; S386-I390 PolarHBondContact O-N 2.79Å; I387-I390 PolarHBondContact O-N 2.98Å; I388-I390 PolarHBondContact O-N 2.84Å; I390-Q392 VanDerWaalsContact C-N 3.32Å; I390-Q392 PolarHBondContact O-N 2.94Å; I390-G393 PolarHBondContact O-N 3.3Å; I390-L394 HydrophobicContact CG2-CD1 3.63Å; I390-L394 HydrophobicContact CG2-CG 4.22Å; I390-L394 WeakPolarHBondContact O-CB 3.28Å; I390-L394 WeakPolarHBondContact O-CG 3.27Å; I390-L394 PolarHBondContact O-N 3.05Å
391	I	94.4	Very high	89.7	Confident	43 Å²	43	22.1 Å²	22.1	22%	0.221	12%	0.117	C	C	.	.	H	α-helix	trans	-64.6	-38.7	179.2	-69.7	174.5	0	0	0	110.5	I387 I388 G393 L394 C395 L450 I454	I387-I391 HydrophobicContact CG2-CD1 3.64Å; I387-I391 HydrophobicContact CG2-CG1 4.39Å; I387-I391 WeakPolarHBondContact O-CB 3.42Å; I387-I391 WeakPolarHBondContact O-CG1 3.36Å; I387-I391 PolarHBondContact O-N 3.12Å; I388-I391 PolarHBondContact O-N 3.38Å; I391-G393 VanDerWaalsContact C-N 3.32Å; I391-G393 PolarHBondContact O-N 2.75Å; I391-L394 PolarHBondContact O-N 3.05Å; I391-C395 VanDerWaalsContact O-CB 3.26Å; I391-C395 WeakPolarHBondContact O-CB 3.23Å; I391-C395 PolarHBondContact O-N 3.22Å; I391-L450 HydrophobicContact CG2-CD1 3.72Å; I391-I454 HydrophobicContact CD1-CD1 3.66Å; I391-I454 HydrophobicContact CD1-CG1 4.13Å
392	Q	92.8	Very high	90.7	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-63.4	-37.7	178.2	-160	102.7	46.7	0	0	112.8	H125 I167 T171 I388 C389 I390 R396 I447	H125-Q392 PolarHBondContact CE1-NE2 3.05Å; H125-Q392 PolarHBondContact NE2-NE2 2.81Å; I167-Q392 VanDerWaalsContact CG2-NE2 3.28Å; T171-Q392 HydrophobicContact CG2-CB 4.06Å; T171-Q392 HydrophobicContact CG2-CG 4.2Å; T171-Q392 PolarHBondContact OG1-OE1 3.46Å; I388-Q392 WeakPolarHBondContact O-CB 3.22Å; I388-Q392 PolarHBondContact O-N 3Å; C389-Q392 PolarHBondContact O-N 2.84Å; I390-Q392 VanDerWaalsContact C-N 3.32Å; I390-Q392 PolarHBondContact O-N 2.94Å; Q392-R396 VanDerWaalsContact CG-NH1 3.25Å; Q392-R396 VanDerWaalsContact NE2-NH1 3.13Å; Q392-R396 WeakPolarHBondContact O-CB 3.25Å; Q392-R396 WeakPolarHBondContact O-CG 3.31Å; Q392-R396 PolarHBondContact O-N 3.28Å; Q392-I447 HydrophobicContact CG-CD1 4.15Å
393	G	92.3	Very high	90.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-72.7	-48.4	174	0	0	0	0	0	112.5	C389 I390 I391 C395 R396 L397	C389-G393 PolarHBondContact O-N 3Å; C389-G393 VanDerWaalsContact O-N 3.1Å; I390-G393 PolarHBondContact O-N 3.3Å; I391-G393 VanDerWaalsContact C-N 3.32Å; I391-G393 PolarHBondContact O-N 2.75Å; G393-C395 PolarHBondContact O-N 2.85Å; G393-R396 PolarHBondContact O-N 3.4Å; G393-R396 VanDerWaalsContact O-N 3.13Å; G393-L397 WeakPolarHBondContact O-CB 3.4Å; G393-L397 PolarHBondContact O-N 3.43Å
394	L	94.2	Very high	90.8	Very high	87 Å²	87	24.2 Å²	24.2	46%	0.455	13%	0.125	S	C	.	.	H	α-helix	trans	-62.1	-38.3	-179.7	-72.3	175.6	0	0	0	113.2	I346 I390 I391 R396 P398	I346-L394 HydrophobicContact CD1-CD2 3.86Å; I346-L394 HydrophobicContact CD1-CG 4.17Å; I346-L394 HydrophobicContact CG1-CG 4.44Å; I390-L394 HydrophobicContact CG2-CD1 3.63Å; I390-L394 HydrophobicContact CG2-CG 4.22Å; I390-L394 WeakPolarHBondContact O-CB 3.28Å; I390-L394 WeakPolarHBondContact O-CG 3.27Å; I390-L394 PolarHBondContact O-N 3.05Å; I391-L394 PolarHBondContact O-N 3.05Å; L394-R396 VanDerWaalsContact C-N 3.32Å; L394-P398 WeakPolarHBondContact O-CD 3.19Å
395	C	93.2	Very high	90.7	Very high	4 Å²	4	26.8 Å²	26.8	3%	0.027	14%	0.139	C	C	.	.	H	α-helix	trans	-73.3	-22.6	176.5	-75.3	0	0	0	0	113.4	I391 G393 F443 S444 I447	I391-C395 VanDerWaalsContact O-CB 3.26Å; I391-C395 WeakPolarHBondContact O-CB 3.23Å; I391-C395 PolarHBondContact O-N 3.22Å; G393-C395 PolarHBondContact O-N 2.85Å; C395-F443 HydrophobicContact CB-CD1 4.18Å; C395-F443 HydrophobicContact CB-CE1 4.17Å; C395-F443 WeakPolarHBondContact CB-O 3.24Å; C395-S444 VanDerWaalsContact O-CA 3.3Å; C395-S444 WeakPolarHBondContact O-CA 3.3Å; C395-S444 WeakPolarHBondContact O-CB 3.49Å; C395-S444 PolarHBondContact O-N 2.91Å; C395-I447 HydrophobicContact CB-CD1 3.67Å; C395-I447 HydrophobicContact CB-CG1 3.45Å; C395-I447 VanDerWaalsContact CB-CG1 3.45Å
396	R	90.6	Very high	90.2	Very high	18 Å²	18	26.8 Å²	26.8	7%	0.068	14%	0.139	C	C	.	.	H	α-helix	trans	-91.6	-27	177.1	-78.7	179.2	164.8	137.9	-2	114.2	R164 A342 Q392 G393 L394 N399 A400 I447	R164-R396 PolarHBondContact O-NH2 2.84Å; A342-R396 HydrophobicContact CB-CB 4.29Å; Q392-R396 VanDerWaalsContact CG-NH1 3.25Å; Q392-R396 VanDerWaalsContact NE2-NH1 3.13Å; Q392-R396 WeakPolarHBondContact O-CB 3.25Å; Q392-R396 WeakPolarHBondContact O-CG 3.31Å; Q392-R396 PolarHBondContact O-N 3.28Å; G393-R396 PolarHBondContact O-N 3.4Å; G393-R396 VanDerWaalsContact O-N 3.13Å; L394-R396 VanDerWaalsContact C-N 3.32Å; R396-N399 WeakPolarHBondContact O-CB 3.2Å; R396-N399 PolarHBondContact O-N 2.98Å; R396-N399 VanDerWaalsContact O-N 3.14Å; R396-A400 PolarHBondContact O-N 3.22Å; R396-I447 HydrophobicContact CG-CD1 4.46Å
397	L	91.6	Very high	89.3	Confident	39 Å²	39	28.5 Å²	28.5	20%	0.204	15%	0.15	C	C	.	.	H	α-helix	trans	-56.8	-41	-176.9	-173	64.8	0	0	0	113.4	L343 G393 A400 L401	L343-L397 HydrophobicContact CD2-CD1 4.27Å; L343-L397 HydrophobicContact CG-CD1 4.4Å; G393-L397 WeakPolarHBondContact O-CB 3.4Å; G393-L397 PolarHBondContact O-N 3.43Å; L397-A400 PolarHBondContact O-N 3.41Å; L397-L401 HydrophobicContact CD1-CD1 4.37Å; L397-L401 HydrophobicContact CD1-CG 4.31Å; L397-L401 HydrophobicContact CG-CD1 4Å; L397-L401 HydrophobicContact CG-CG 4.39Å; L397-L401 WeakPolarHBondContact O-CB 3.2Å; L397-L401 VanDerWaalsContact O-CG 3.27Å; L397-L401 WeakPolarHBondContact O-CG 3.44Å; L397-L401 PolarHBondContact O-N 2.93Å
398	P	91.7	Very high	88.5	Confident	38 Å²	38	33 Å²	33	25%	0.247	17%	0.174	C	C	.	.	H	α-helix	trans	-59.8	-46	173.6	-26.3	36.3	0	0	0	113.3	L394 A400 L401 F402 F443	L394-P398 WeakPolarHBondContact O-CD 3.19Å; P398-A400 PolarHBondContact O-N 3.49Å; P398-L401 PolarHBondContact O-N 3.23Å; P398-F402 HydrophobicContact CB-CD2 4.42Å; P398-F402 HydrophobicContact CB-CE2 3.97Å; P398-F402 WeakPolarHBondContact O-CD2 3.31Å; P398-F402 WeakPolarHBondContact O-CG 3.42Å; P398-F402 PolarHBondContact O-N 3.16Å; P398-F443 HydrophobicContact CG-CD1 4.15Å
399	N	89.1	Confident	87.7	Confident	7 Å²	7	33.9 Å²	33.9	4%	0.037	18%	0.18	C	C	.	.	H	α-helix	trans	-57.4	-49.8	175	177.1	104.1	0	0	0	111.1	R164 R396 L401 F402 T403 I441	R164-N399 VanDerWaalsContact NH2-CG 3.31Å; R164-N399 PolarHBondContact NH2-OD1 3.37Å; R396-N399 WeakPolarHBondContact O-CB 3.2Å; R396-N399 PolarHBondContact O-N 2.98Å; R396-N399 VanDerWaalsContact O-N 3.14Å; N399-L401 VanDerWaalsContact C-N 3.31Å; N399-L401 PolarHBondContact O-N 3.06Å; N399-F402 PolarHBondContact O-N 2.99Å; N399-T403 WeakPolarHBondContact O-CB 3.32Å; N399-T403 PolarHBondContact O-N 3.13Å; N399-T403 PolarHBondContact O-OG1 3.43Å; N399-T403 VanDerWaalsContact O-OG1 3.05Å; N399-I441 VanDerWaalsContact OD1-CG1 3.26Å; N399-I441 WeakPolarHBondContact OD1-CG1 3.13Å
400	A	88	Confident	86.6	Confident	2 Å²	2	41.2 Å²	41.2	2%	0.017	21%	0.211	C	C	.	.	H	α-helix	trans	-58.6	-42.9	180	0	0	0	0	0	112.2	D338 C339 R396 L397 P398 M404	D338-A400 HydrophobicContact CB-CB 3.79Å; C339-A400 HydrophobicContact CB-CB 4.18Å; R396-A400 PolarHBondContact O-N 3.22Å; L397-A400 PolarHBondContact O-N 3.41Å; P398-A400 PolarHBondContact O-N 3.49Å; A400-M404 WeakPolarHBondContact O-CB 3.49Å; A400-M404 PolarHBondContact O-N 2.82Å
401	L	89.6	Confident	85.6	Confident	72 Å²	72	40.8 Å²	40.8	38%	0.377	21%	0.21	S	C	.	.	H	α-helix	trans	-66.3	-44.3	177.1	-70.5	171.3	0	0	0	112.1	L397 P398 N399 M404 L405	L397-L401 HydrophobicContact CD1-CD1 4.37Å; L397-L401 HydrophobicContact CD1-CG 4.31Å; L397-L401 HydrophobicContact CG-CD1 4Å; L397-L401 HydrophobicContact CG-CG 4.39Å; L397-L401 WeakPolarHBondContact O-CB 3.2Å; L397-L401 VanDerWaalsContact O-CG 3.27Å; L397-L401 WeakPolarHBondContact O-CG 3.44Å; L397-L401 PolarHBondContact O-N 2.93Å; P398-L401 PolarHBondContact O-N 3.23Å; N399-L401 VanDerWaalsContact C-N 3.31Å; N399-L401 PolarHBondContact O-N 3.06Å; L401-M404 WeakPolarHBondContact O-CB 3.4Å; L401-M404 PolarHBondContact O-N 2.92Å; L401-L405 WeakPolarHBondContact O-CB 3.18Å; L401-L405 VanDerWaalsContact O-CG 3.22Å; L401-L405 WeakPolarHBondContact O-CG 3.36Å; L401-L405 PolarHBondContact O-N 3.08Å
402	F	88.5	Confident	84.6	Confident	51 Å²	51	39.2 Å²	39.2	22%	0.224	21%	0.205	C	C	.	.	H	α-helix	trans	-68.5	-35.2	177.5	-59.7	-45.7	0	0	0	112.3	P398 N399 L405 D406 M433 A436 K437	P398-F402 HydrophobicContact CB-CD2 4.42Å; P398-F402 HydrophobicContact CB-CE2 3.97Å; P398-F402 WeakPolarHBondContact O-CD2 3.31Å; P398-F402 WeakPolarHBondContact O-CG 3.42Å; P398-F402 PolarHBondContact O-N 3.16Å; N399-F402 PolarHBondContact O-N 2.99Å; F402-L405 PolarHBondContact O-N 3.4Å; F402-D406 PolarHBondContact O-N 2.68Å; F402-M433 HydrophobicContact CB-SD 4.37Å; F402-M433 HydrophobicContact CD1-SD 3.61Å; F402-M433 HydrophobicContact CE1-SD 4.38Å; F402-M433 HydrophobicContact CG-SD 4.34Å; F402-A436 HydrophobicContact CD1-CB 4.3Å; F402-A436 HydrophobicContact CD2-CB 4.34Å; F402-A436 WeakPolarHBondContact CD2-O 3.37Å; F402-A436 HydrophobicContact CE1-CB 3.87Å; F402-A436 HydrophobicContact CE2-CB 3.92Å; F402-A436 WeakPolarHBondContact CE2-O 3.29Å; F402-A436 HydrophobicContact CZ-CB 3.69Å; F402-K437 HydrophobicContact CB-CB 4.19Å; F402-K437 HydrophobicContact CB-CG 4.3Å
403	T	83.3	Confident	83.7	Confident	16 Å²	16	45.7 Å²	45.7	10%	0.098	24%	0.235	C	C	.	.	H	α-helix	trans	-64.3	-38.1	171.1	-58.9	0	0	0	0	112.3	Q330 N399	Q330-T403 HydrophobicContact CB-CG2 4.22Å; N399-T403 WeakPolarHBondContact O-CB 3.32Å; N399-T403 PolarHBondContact O-N 3.13Å; N399-T403 PolarHBondContact O-OG1 3.43Å; N399-T403 VanDerWaalsContact O-OG1 3.05Å
404	M	83.9	Confident	82.9	Confident	60 Å²	60	47.1 Å²	47.1	30%	0.296	24%	0.242	S	C	.	.	H	α-helix	trans	-66.2	-33.9	172.5	169.6	-177.6	178.8	0	0	113	W331 I335 A400 L401	W331-M404 VanDerWaalsContact CD1-O 3.27Å; I335-M404 HydrophobicContact CD1-CE 4.02Å; I335-M404 HydrophobicContact CD1-CG 4.05Å; I335-M404 HydrophobicContact CD1-SD 4.31Å; I335-M404 HydrophobicContact CG1-CB 4.18Å; I335-M404 HydrophobicContact CG1-CE 4.04Å; I335-M404 HydrophobicContact CG1-CG 3.6Å; I335-M404 HydrophobicContact CG1-SD 3.71Å; A400-M404 WeakPolarHBondContact O-CB 3.49Å; A400-M404 PolarHBondContact O-N 2.82Å; L401-M404 WeakPolarHBondContact O-CB 3.4Å; L401-M404 PolarHBondContact O-N 2.92Å
405	L	84.5	Confident	82	Confident	60 Å²	60	47.5 Å²	47.5	31%	0.314	25%	0.245	S	C	.	.	H	α-helix	trans	-88	-19.9	-176.1	-68.2	172.1	0	0	0	113.9	L401 F402 P407 L408 T409 M433	L401-L405 WeakPolarHBondContact O-CB 3.18Å; L401-L405 VanDerWaalsContact O-CG 3.22Å; L401-L405 WeakPolarHBondContact O-CG 3.36Å; L401-L405 PolarHBondContact O-N 3.08Å; F402-L405 PolarHBondContact O-N 3.4Å; L405-P407 VanDerWaalsContact C-CD 3.49Å; L405-L408 HydrophobicContact CD2-CD1 4.02Å; L405-L408 WeakPolarHBondContact O-CB 3.48Å; L405-L408 PolarHBondContact O-N 3.33Å; L405-T409 PolarHBondContact O-N 2.89Å; L405-M433 HydrophobicContact CB-CE 3.74Å; L405-M433 HydrophobicContact CB-SD 4.21Å; L405-M433 HydrophobicContact CD1-CE 4.06Å
406	D	79.1	Confident	81.1	Confident	4 Å²	4	48.9 Å²	48.9	2%	0.021	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-45.2	-52	-179.8	-141.7	63.1	0	0	0	113	Y295 F402 L408 T409 K437	Y295-D406 PolarHBondContact OH-O 3.48Å; F402-D406 PolarHBondContact O-N 2.68Å; D406-L408 PolarHBondContact O-N 3.18Å; D406-L408 VanDerWaalsContact O-N 3.14Å; D406-T409 PolarHBondContact O-N 2.78Å; D406-T409 PolarHBondContact O-OG1 3.29Å; D406-K437 WeakPolarHBondContact OD1-CD 3.48Å; D406-K437 WeakPolarHBondContact OD1-CE 3.33Å; D406-K437 IonicContact OD1-NZ 3.01Å; D406-K437 PolarHBondContact OD1-NZ 2.9Å; D406-K437 IonicContact OD2-NZ 3.68Å; D406-K437 PolarHBondContact OD2-NZ 3.05Å
407	P	73.7	Confident	80.6	Confident	36 Å²	36	50.1 Å²	50.1	23%	0.234	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-69.3	-16.3	-176.9	-17	33.1	0	0	0	114.1	F327 W331 L405	F327-P407 HydrophobicContact CB-CB 4.43Å; F327-P407 HydrophobicContact CB-CG 4.46Å; F327-P407 HydrophobicContact CD1-CB 4.37Å; F327-P407 HydrophobicContact CD1-CG 4.27Å; W331-P407 HydrophobicContact CB-CG 4.08Å; W331-P407 HydrophobicContact CG-CG 4.38Å; L405-P407 VanDerWaalsContact C-CD 3.49Å
408	L	75.7	Confident	80	Confident	122 Å²	122	50.5 Å²	50.5	64%	0.639	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-82.6	-22.3	173.1	-55.4	-179.5	0	0	0	111.6	L405 D406 K410	L405-L408 HydrophobicContact CD2-CD1 4.02Å; L405-L408 WeakPolarHBondContact O-CB 3.48Å; L405-L408 PolarHBondContact O-N 3.33Å; D406-L408 PolarHBondContact O-N 3.18Å; D406-L408 VanDerWaalsContact O-N 3.14Å; L408-K410 PolarHBondContact O-N 2.88Å
409	T	76.4	Confident	79.5	Confident	22 Å²	22	51.9 Å²	51.9	14%	0.135	27%	0.274	C	S	.	.			trans	-86.1	88.5	175.8	53.1	0	0	0	0	111.8	Y295 L405 D406 M433	Y295-T409 PolarHBondContact OH-O 3.42Å; Y295-T409 PolarHBondContact OH-OG1 3.32Å; L405-T409 PolarHBondContact O-N 2.89Å; D406-T409 PolarHBondContact O-N 2.78Å; D406-T409 PolarHBondContact O-OG1 3.29Å; T409-M433 HydrophobicContact CG2-CB 3.84Å; T409-M433 HydrophobicContact CG2-CE 3.61Å; T409-M433 HydrophobicContact CG2-CG 3.75Å
410	K	71.7	Confident	79.2	Confident	154 Å²	154	54.9 Å²	54.9	67%	0.67	29%	0.288	S	S	*	.			trans	-80.1	138.9	167.8	-62.3	-177.9	-179.8	-178.7	0	109.9	L408	L408-K410 PolarHBondContact O-N 2.88Å
411	P	74	Confident	78.9	Confident	20 Å²	20	54.8 Å²	54.8	13%	0.13	29%	0.287	C	S	.	.			trans	-61	160.8	165.5	28.1	-34.8	0	0	0	110.7	M414 W427	P411-M414 HydrophobicContact CB-CE 3.93Å; P411-M414 HydrophobicContact CG-CE 3.5Å; P411-W427 HydrophobicContact CB-CD2 4.46Å; P411-W427 HydrophobicContact CB-CE3 4.26Å; P411-W427 HydrophobicContact CB-CH2 3.57Å; P411-W427 HydrophobicContact CB-CZ2 3.78Å; P411-W427 HydrophobicContact CB-CZ3 3.82Å
412	G	71.8	Confident	78.5	Confident	11 Å²	11	55.6 Å²	55.6	11%	0.113	29%	0.291	C	S	.	.			trans	-75.3	-165.2	179.1	0	0	0	0	0	113.8	M414 T426	G412-M414 PolarHBondContact O-N 2.98Å; G412-T426 WeakPolarHBondContact CA-OG1 3.26Å
413	E	75.7	Confident	78.3	Confident	136 Å²	136	59.9 Å²	59.9	64%	0.636	31%	0.31	S	S	*	.			trans	-60.2	138.4	175.4	-68.3	-168.5	-172.6	0	0	111.6	I45 L416 W427	I45-E413 WeakPolarHBondContact CD1-O 3.38Å; E413-L416 HydrophobicContact CB-CD1 4.36Å; E413-L416 HydrophobicContact CB-CG 4.22Å; E413-L416 WeakPolarHBondContact O-CG 3.31Å; E413-W427 PolarHBondContact O-NE1 3.47Å
414	M	74.7	Confident	78.4	Confident	30 Å²	30	61 Å²	61	15%	0.148	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-14.6	-174.3	-62.4	-67.3	176.3	0	0	113.2	D44 I45 L46 W298 P411 G412 L416 W427	D44-M414 CarbonylContact C-O 3.46Å; D44-M414 VanDerWaalsContact CA-O 3.29Å; D44-M414 WeakPolarHBondContact CA-O 3.45Å; D44-M414 WeakPolarHBondContact OD1-CB 3.44Å; D44-M414 VanDerWaalsContact OD1-O 3.13Å; I45-M414 VanDerWaalsContact CG1-O 3.3Å; I45-M414 WeakPolarHBondContact CG1-O 3.21Å; I45-M414 PolarHBondContact N-O 2.96Å; L46-M414 HydrophobicContact CD1-CB 4.26Å; L46-M414 HydrophobicContact CD1-CG 3.89Å; L46-M414 HydrophobicContact CD1-SD 3.86Å; L46-M414 HydrophobicContact CD2-CE 4.45Å; L46-M414 HydrophobicContact CD2-SD 3.85Å; L46-M414 HydrophobicContact CG-CB 4.45Å; L46-M414 HydrophobicContact CG-CG 4.28Å; L46-M414 HydrophobicContact CG-SD 3.74Å; W298-M414 HydrophobicContact CE3-CE 4.22Å; P411-M414 HydrophobicContact CB-CE 3.93Å; P411-M414 HydrophobicContact CG-CE 3.5Å; G412-M414 PolarHBondContact O-N 2.98Å; M414-L416 VanDerWaalsContact C-N 3.29Å; M414-L416 PolarHBondContact O-N 3.48Å; M414-W427 HydrophobicContact CE-CH2 4.44Å; M414-W427 HydrophobicContact CE-CZ2 4.23Å; M414-W427 HydrophobicContact SD-CH2 4.22Å; M414-W427 HydrophobicContact SD-CZ2 3.73Å
415	N	74.9	Confident	78.6	Confident	96 Å²	96	63.2 Å²	63.2	51%	0.513	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	8.6	-175.6	-62.8	-34.7	0	0	0	114.3	H42	H42-N415 PolarHBondContact ND1-O 3.13Å
416	L	75	Confident	78.6	Confident	33 Å²	33	63.2 Å²	63.2	17%	0.173	33%	0.331	C	S	.	.			trans	-82.6	146	-175.6	-58.5	177	0	0	0	112.2	I45 R48 E413 M414 E420 V421 D424	I45-L416 HydrophobicContact CD1-CB 4.32Å; I45-L416 WeakPolarHBondContact CG1-O 3.2Å; R48-L416 PolarHBondContact NH2-O 3.26Å; E413-L416 HydrophobicContact CB-CD1 4.36Å; E413-L416 HydrophobicContact CB-CG 4.22Å; E413-L416 WeakPolarHBondContact O-CG 3.31Å; M414-L416 VanDerWaalsContact C-N 3.29Å; M414-L416 PolarHBondContact O-N 3.48Å; L416-E420 HydrophobicContact CB-CB 3.98Å; L416-E420 HydrophobicContact CD2-CB 4.18Å; L416-V421 HydrophobicContact CB-CG2 3.72Å; L416-V421 HydrophobicContact CD1-CG2 4.5Å; L416-D424 HydrophobicContact CD1-CB 3.99Å
417	T	80	Confident	78.8	Confident	44 Å²	44	63.1 Å²	63.1	27%	0.27	33%	0.33	S	S	.	.			trans	-73.2	161.7	165.3	66.8	0	0	0	0	110.8	S419 E420 V421	T417-S419 PolarHBondContact O-N 2.88Å; T417-S419 VanDerWaalsContact O-N 3.15Å; T417-S419 PolarHBondContact OG1-OG 2.81Å; T417-E420 VanDerWaalsContact CB-OE2 3.27Å; T417-E420 WeakPolarHBondContact CB-OE2 3.32Å; T417-E420 WeakPolarHBondContact CG2-OE2 3.22Å; T417-E420 PolarHBondContact N-OE2 2.67Å; T417-E420 CarbonylContact O-C 3.57Å; T417-E420 WeakPolarHBondContact O-CA 3.5Å; T417-E420 WeakPolarHBondContact O-CB 3.47Å; T417-E420 PolarHBondContact O-N 2.77Å; T417-E420 VanDerWaalsContact OG1-CD 3.25Å; T417-E420 WeakPolarHBondContact OG1-CG 3.34Å; T417-E420 PolarHBondContact OG1-OE2 2.89Å; T417-V421 WeakPolarHBondContact O-CG2 3.33Å; T417-V421 PolarHBondContact O-N 3.27Å
418	D	79.1	Confident	79.4	Confident	47 Å²	47	65.7 Å²	65.7	25%	0.251	34%	0.339	S	S	.	.	H	α-helix	trans	-58.6	-34.5	-179.6	-55.5	-33	0	0	0	112.7	R48 Y49 L59 E420 V421 L422	R48-D418 IonicContact CZ-OD1 2.69Å; R48-D418 IonicContact CZ-OD2 3.92Å; R48-D418 IonicContact NH1-OD1 2.81Å; R48-D418 PolarHBondContact NH1-OD1 2.97Å; R48-D418 IonicContact NH1-OD2 3.32Å; R48-D418 PolarHBondContact NH1-OD2 2.66Å; R48-D418 IonicContact NH2-OD1 3.88Å; R48-D418 PolarHBondContact NH2-OD1 3.06Å; Y49-D418 WeakPolarHBondContact CE2-OD1 3.32Å; Y49-D418 VanDerWaalsContact OH-CG 3.27Å; Y49-D418 PolarHBondContact OH-OD1 3.29Å; Y49-D418 PolarHBondContact OH-OD2 2.76Å; L59-D418 HydrophobicContact CD2-CB 3.88Å; D418-E420 PolarHBondContact O-N 2.94Å; D418-V421 PolarHBondContact O-N 3.32Å; D418-L422 WeakPolarHBondContact O-CB 3.06Å; D418-L422 VanDerWaalsContact O-CG 3.3Å; D418-L422 WeakPolarHBondContact O-CG 3.42Å; D418-L422 PolarHBondContact O-N 3.14Å
419	S	80.6	Confident	79.8	Confident	66 Å²	66	68.1 Å²	68.1	46%	0.462	34%	0.34	S	S	.	.	H	α-helix	trans	-70.1	-16.1	177.1	88.7	0	0	0	0	113.6	T417 K423	T417-S419 PolarHBondContact O-N 2.88Å; T417-S419 VanDerWaalsContact O-N 3.15Å; T417-S419 PolarHBondContact OG1-OG 2.81Å; S419-K423 WeakPolarHBondContact O-CD 3.44Å; S419-K423 WeakPolarHBondContact O-CE 3.32Å; S419-K423 VanDerWaalsContact O-CG 3.26Å; S419-K423 WeakPolarHBondContact O-CG 3.33Å; S419-K423 PolarHBondContact O-NZ 3.37Å
420	E	83.7	Confident	80.2	Confident	71 Å²	71	67.4 Å²	67.4	33%	0.332	34%	0.335	S	S	.	.	H	α-helix	trans	-97.6	-41.1	174.6	-68.4	159.9	142.5	0	0	110.1	H42 L416 T417 D418 L422 K423 D424	H42-E420 IonicContact CE1-OE2 3.63Å; L416-E420 HydrophobicContact CB-CB 3.98Å; L416-E420 HydrophobicContact CD2-CB 4.18Å; T417-E420 VanDerWaalsContact CB-OE2 3.27Å; T417-E420 WeakPolarHBondContact CB-OE2 3.32Å; T417-E420 WeakPolarHBondContact CG2-OE2 3.22Å; T417-E420 PolarHBondContact N-OE2 2.67Å; T417-E420 CarbonylContact O-C 3.57Å; T417-E420 WeakPolarHBondContact O-CA 3.5Å; T417-E420 WeakPolarHBondContact O-CB 3.47Å; T417-E420 PolarHBondContact O-N 2.77Å; T417-E420 VanDerWaalsContact OG1-CD 3.25Å; T417-E420 WeakPolarHBondContact OG1-CG 3.34Å; T417-E420 PolarHBondContact OG1-OE2 2.89Å; D418-E420 PolarHBondContact O-N 2.94Å; E420-L422 VanDerWaalsContact C-N 3.3Å; E420-L422 PolarHBondContact O-N 3.44Å; E420-K423 CarbonylContact O-C 3.59Å; E420-K423 WeakPolarHBondContact O-CA 3.37Å; E420-K423 PolarHBondContact O-N 3.27Å; E420-D424 WeakPolarHBondContact O-CB 3.49Å; E420-D424 PolarHBondContact O-N 3.18Å
421	V	80.3	Confident	80.9	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-54.6	-44.3	172	174	0	0	0	0	111.9	I45 L59 L416 T417 D418 K423 D424 W427 F431	I45-V421 HydrophobicContact CD1-CG2 3.27Å; I45-V421 HydrophobicContact CG1-CG2 3.78Å; L59-V421 HydrophobicContact CD1-CB 4.42Å; L59-V421 HydrophobicContact CD1-CG1 3.7Å; L416-V421 HydrophobicContact CB-CG2 3.72Å; L416-V421 HydrophobicContact CD1-CG2 4.5Å; T417-V421 WeakPolarHBondContact O-CG2 3.33Å; T417-V421 PolarHBondContact O-N 3.27Å; D418-V421 PolarHBondContact O-N 3.32Å; V421-K423 PolarHBondContact O-N 3.39Å; V421-D424 PolarHBondContact O-N 2.99Å; V421-W427 HydrophobicContact CB-CG 4.5Å; V421-W427 HydrophobicContact CG1-CB 3.92Å; V421-W427 HydrophobicContact CG1-CD2 3.86Å; V421-W427 HydrophobicContact CG1-CE3 4.25Å; V421-W427 HydrophobicContact CG1-CG 3.71Å; V421-W427 WeakPolarHBondContact O-CB 3.21Å; V421-F431 HydrophobicContact CG1-CE2 4.01Å; V421-F431 HydrophobicContact CG1-CZ 4.44Å
422	L	81.6	Confident	81.5	Confident	88 Å²	88	65.4 Å²	65.4	46%	0.461	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-12.7	177.1	-67.7	172.4	0	0	0	113.7	L59 D418 E420 Q428	L59-L422 HydrophobicContact CB-CD2 4.23Å; L59-L422 HydrophobicContact CD2-CD1 4.37Å; L59-L422 HydrophobicContact CD2-CD2 4.42Å; L59-L422 HydrophobicContact CD2-CG 4.3Å; L59-L422 WeakPolarHBondContact O-CD2 3.33Å; D418-L422 WeakPolarHBondContact O-CB 3.06Å; D418-L422 VanDerWaalsContact O-CG 3.3Å; D418-L422 WeakPolarHBondContact O-CG 3.42Å; D418-L422 PolarHBondContact O-N 3.14Å; E420-L422 VanDerWaalsContact C-N 3.3Å; E420-L422 PolarHBondContact O-N 3.44Å; L422-Q428 PolarHBondContact O-NE2 3.35Å
423	K	85.3	Confident	82.2	Confident	142 Å²	142	66.4 Å²	66.4	62%	0.617	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-20.7	175.4	-66.7	174.7	-165	136	0	113.2	S419 E420 V421	S419-K423 WeakPolarHBondContact O-CD 3.44Å; S419-K423 WeakPolarHBondContact O-CE 3.32Å; S419-K423 VanDerWaalsContact O-CG 3.26Å; S419-K423 WeakPolarHBondContact O-CG 3.33Å; S419-K423 PolarHBondContact O-NZ 3.37Å; E420-K423 CarbonylContact O-C 3.59Å; E420-K423 WeakPolarHBondContact O-CA 3.37Å; E420-K423 PolarHBondContact O-N 3.27Å; V421-K423 PolarHBondContact O-N 3.39Å
424	D	85.4	Confident	82.6	Confident	40 Å²	40	61 Å²	61	21%	0.214	31%	0.306	C	S	.	.			trans	-71.4	134	-176.3	170.9	52.6	0	0	0	111.6	L416 E420 V421 T426 W427 Q428	L416-D424 HydrophobicContact CD1-CB 3.99Å; E420-D424 WeakPolarHBondContact O-CB 3.49Å; E420-D424 PolarHBondContact O-N 3.18Å; V421-D424 PolarHBondContact O-N 2.99Å; D424-T426 VanDerWaalsContact C-N 3.32Å; D424-T426 PolarHBondContact O-N 2.8Å; D424-T426 PolarHBondContact OD1-N 3.27Å; D424-T426 WeakPolarHBondContact OD2-CA 3.5Å; D424-T426 WeakPolarHBondContact OD2-CB 3.47Å; D424-T426 PolarHBondContact OD2-N 3.3Å; D424-T426 PolarHBondContact OD2-OG1 3.17Å; D424-W427 HydrophobicContact CB-CB 4.33Å; D424-W427 PolarHBondContact OD2-N 3.22Å; D424-Q428 WeakPolarHBondContact O-CB 3.4Å; D424-Q428 VanDerWaalsContact O-CG 3.24Å; D424-Q428 WeakPolarHBondContact O-CG 3.33Å; D424-Q428 PolarHBondContact O-N 3.3Å
425	N	86.2	Confident	83.2	Confident	105 Å²	105	60.4 Å²	60.4	56%	0.561	31%	0.306	S	S	*	.	H	α-helix	trans	-68.8	-29.3	-177.4	-70	-78.1	0	0	0	112.5	R429	N425-R429 WeakPolarHBondContact O-CB 3.46Å; N425-R429 VanDerWaalsContact O-CD 3.31Å; N425-R429 WeakPolarHBondContact O-CD 3.33Å; N425-R429 WeakPolarHBondContact O-CG 3.49Å; N425-R429 PolarHBondContact O-N 3.33Å; N425-R429 VanDerWaalsContact O-N 3.12Å
426	T	85	Confident	83.8	Confident	60 Å²	60	56.9 Å²	56.9	37%	0.368	29%	0.29	S	S	.	.	H	α-helix	trans	-78.6	-42.2	179.6	48.3	0	0	0	0	112.3	G412 D424 R429 F430	G412-T426 WeakPolarHBondContact CA-OG1 3.26Å; D424-T426 VanDerWaalsContact C-N 3.32Å; D424-T426 PolarHBondContact O-N 2.8Å; D424-T426 PolarHBondContact OD1-N 3.27Å; D424-T426 WeakPolarHBondContact OD2-CA 3.5Å; D424-T426 WeakPolarHBondContact OD2-CB 3.47Å; D424-T426 PolarHBondContact OD2-N 3.3Å; D424-T426 PolarHBondContact OD2-OG1 3.17Å; T426-R429 PolarHBondContact O-N 3.32Å; T426-F430 WeakPolarHBondContact O-CB 3.48Å; T426-F430 PolarHBondContact O-N 3.5Å
427	W	84.2	Confident	84.4	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.008	29%	0.288	C	S	.	.	H	α-helix	trans	-63.3	-43.8	170.1	-80.5	107.8	0	0	0	112.8	I45 L55 P411 E413 M414 V421 D424 R429 F430 F431	I45-W427 HydrophobicContact CD1-CH2 4.35Å; I45-W427 HydrophobicContact CD1-CZ2 3.42Å; I45-W427 VanDerWaalsContact CD1-CZ2 3.42Å; I45-W427 HydrophobicContact CG2-CH2 4.45Å; I45-W427 HydrophobicContact CG2-CZ2 4.45Å; L55-W427 HydrophobicContact CD1-CH2 4.04Å; L55-W427 HydrophobicContact CD1-CZ3 4.05Å; L55-W427 HydrophobicContact CD2-CZ3 4.05Å; P411-W427 HydrophobicContact CB-CD2 4.46Å; P411-W427 HydrophobicContact CB-CE3 4.26Å; P411-W427 HydrophobicContact CB-CH2 3.57Å; P411-W427 HydrophobicContact CB-CZ2 3.78Å; P411-W427 HydrophobicContact CB-CZ3 3.82Å; E413-W427 PolarHBondContact O-NE1 3.47Å; M414-W427 HydrophobicContact CE-CH2 4.44Å; M414-W427 HydrophobicContact CE-CZ2 4.23Å; M414-W427 HydrophobicContact SD-CH2 4.22Å; M414-W427 HydrophobicContact SD-CZ2 3.73Å; V421-W427 HydrophobicContact CB-CG 4.5Å; V421-W427 HydrophobicContact CG1-CB 3.92Å; V421-W427 HydrophobicContact CG1-CD2 3.86Å; V421-W427 HydrophobicContact CG1-CE3 4.25Å; V421-W427 HydrophobicContact CG1-CG 3.71Å; V421-W427 WeakPolarHBondContact O-CB 3.21Å; D424-W427 HydrophobicContact CB-CB 4.33Å; D424-W427 PolarHBondContact OD2-N 3.22Å; W427-R429 VanDerWaalsContact C-N 3.35Å; W427-R429 PolarHBondContact O-N 3.09Å; W427-F430 AromaticContact CE3-CD1 3.87Å; W427-F430 HydrophobicContact CE3-CD1 3.87Å; W427-F430 AromaticContact CZ3-CD1 3.85Å; W427-F430 HydrophobicContact CZ3-CD1 3.85Å; W427-F430 HydrophobicContact CZ3-CE1 4.07Å; W427-F430 WeakPolarHBondContact O-CB 3.43Å; W427-F430 PolarHBondContact O-N 2.83Å; W427-F431 HydrophobicContact CB-CE2 4.24Å; W427-F431 AromaticContact CE3-CE2 3.87Å; W427-F431 HydrophobicContact CE3-CE2 3.87Å; W427-F431 AromaticContact CE3-CZ 3.82Å; W427-F431 HydrophobicContact CE3-CZ 3.82Å; W427-F431 HydrophobicContact CZ3-CZ 4.2Å; W427-F431 WeakPolarHBondContact O-CD2 3.25Å; W427-F431 PolarHBondContact O-N 3.18Å
428	Q	85.4	Confident	84.8	Confident	90 Å²	90	55.9 Å²	55.9	42%	0.421	28%	0.282	S	S	.	.	H	α-helix	trans	-58.9	-43.2	173.8	-76.3	178.4	8.2	0	0	112.4	L422 D424 F430 L432	L422-Q428 PolarHBondContact O-NE2 3.35Å; D424-Q428 WeakPolarHBondContact O-CB 3.4Å; D424-Q428 VanDerWaalsContact O-CG 3.24Å; D424-Q428 WeakPolarHBondContact O-CG 3.33Å; D424-Q428 PolarHBondContact O-N 3.3Å; Q428-F430 VanDerWaalsContact C-N 3.34Å; Q428-L432 VanDerWaalsContact O-CB 3.25Å; Q428-L432 WeakPolarHBondContact O-CB 3.38Å; Q428-L432 PolarHBondContact O-N 3.29Å
429	R	85.4	Confident	85.2	Confident	174 Å²	174	57.5 Å²	57.5	66%	0.657	29%	0.29	S	S	*	.	H	α-helix	trans	-63	-39.5	174.7	-76.3	168	-175.8	-157	0.4	112.3	N425 T426 W427 L432 M433	N425-R429 WeakPolarHBondContact O-CB 3.46Å; N425-R429 VanDerWaalsContact O-CD 3.31Å; N425-R429 WeakPolarHBondContact O-CD 3.33Å; N425-R429 WeakPolarHBondContact O-CG 3.49Å; N425-R429 PolarHBondContact O-N 3.33Å; N425-R429 VanDerWaalsContact O-N 3.12Å; T426-R429 PolarHBondContact O-N 3.32Å; W427-R429 VanDerWaalsContact C-N 3.35Å; W427-R429 PolarHBondContact O-N 3.09Å; R429-L432 PolarHBondContact O-N 3.15Å; R429-M433 WeakPolarHBondContact O-CB 3.49Å; R429-M433 PolarHBondContact O-N 3.11Å
430	F	84.6	Confident	85.7	Confident	6 Å²	6	54.4 Å²	54.4	3%	0.026	27%	0.268	C	S	.	.	H	α-helix	trans	-64.4	-50.4	177.8	174.1	-108.4	0	0	0	112.1	F52 Y295 T426 W427 Q428 L432 M433 L434	F52-F430 AromaticContact CE2-CE1 3.91Å; F52-F430 HydrophobicContact CE2-CE1 3.91Å; F52-F430 AromaticContact CE2-CZ 3.68Å; F52-F430 HydrophobicContact CE2-CZ 3.68Å; F52-F430 HydrophobicContact CZ-CE1 4.41Å; F52-F430 AromaticContact CZ-CZ 3.86Å; F52-F430 HydrophobicContact CZ-CZ 3.86Å; Y295-F430 AromaticContact CD1-CE2 3.82Å; Y295-F430 HydrophobicContact CD1-CE2 3.82Å; Y295-F430 HydrophobicContact CD1-CZ 4.02Å; Y295-F430 HydrophobicContact CD2-CE2 4.29Å; Y295-F430 HydrophobicContact CD2-CZ 4.44Å; Y295-F430 HydrophobicContact CE1-CD2 4.3Å; Y295-F430 AromaticContact CE1-CE2 3.47Å; Y295-F430 HydrophobicContact CE1-CE2 3.47Å; Y295-F430 VanDerWaalsContact CE1-CE2 3.47Å; Y295-F430 HydrophobicContact CE1-CZ 4.15Å; Y295-F430 AromaticContact CE2-CE2 3.98Å; Y295-F430 HydrophobicContact CE2-CE2 3.98Å; Y295-F430 HydrophobicContact CG-CE2 4.21Å; Y295-F430 HydrophobicContact CG-CZ 4.16Å; Y295-F430 AromaticContact CZ-CE2 3.56Å; T426-F430 WeakPolarHBondContact O-CB 3.48Å; T426-F430 PolarHBondContact O-N 3.5Å; W427-F430 AromaticContact CE3-CD1 3.87Å; W427-F430 HydrophobicContact CE3-CD1 3.87Å; W427-F430 AromaticContact CZ3-CD1 3.85Å; W427-F430 HydrophobicContact CZ3-CD1 3.85Å; W427-F430 HydrophobicContact CZ3-CE1 4.07Å; W427-F430 WeakPolarHBondContact O-CB 3.43Å; W427-F430 PolarHBondContact O-N 2.83Å; Q428-F430 VanDerWaalsContact C-N 3.34Å; F430-L432 VanDerWaalsContact C-N 3.31Å; F430-L432 PolarHBondContact O-N 3.27Å; F430-M433 PolarHBondContact O-N 2.9Å; F430-L434 PolarHBondContact O-N 3.29Å
431	F	86	Confident	85.9	Confident	13 Å²	13	53.1 Å²	53.1	6%	0.057	26%	0.263	C	S	.	.	H	α-helix	trans	-62.2	-37.6	174.7	-66	-57.4	0	0	0	112.4	L55 L59 V421 W427 L434 S435	L55-F431 HydrophobicContact CD2-CE1 3.7Å; L55-F431 HydrophobicContact CD2-CZ 3.92Å; L55-F431 HydrophobicContact CG-CE1 4.47Å; L55-F431 HydrophobicContact CG-CZ 4.34Å; L59-F431 HydrophobicContact CB-CE1 4.4Å; L59-F431 HydrophobicContact CB-CE2 4.21Å; L59-F431 HydrophobicContact CB-CZ 3.76Å; L59-F431 HydrophobicContact CD1-CZ 4.23Å; V421-F431 HydrophobicContact CG1-CE2 4.01Å; V421-F431 HydrophobicContact CG1-CZ 4.44Å; W427-F431 HydrophobicContact CB-CE2 4.24Å; W427-F431 AromaticContact CE3-CE2 3.87Å; W427-F431 HydrophobicContact CE3-CE2 3.87Å; W427-F431 AromaticContact CE3-CZ 3.82Å; W427-F431 HydrophobicContact CE3-CZ 3.82Å; W427-F431 HydrophobicContact CZ3-CZ 4.2Å; W427-F431 WeakPolarHBondContact O-CD2 3.25Å; W427-F431 PolarHBondContact O-N 3.18Å; F431-L434 PolarHBondContact O-N 2.73Å; F431-S435 PolarHBondContact O-N 3.04Å; F431-S435 PolarHBondContact O-OG 3.34Å
432	L	86.9	Confident	86.3	Confident	119 Å²	119	53.5 Å²	53.5	62%	0.623	27%	0.265	S	S	*	.	H	α-helix	trans	-62.9	-46	175.3	-175.9	63.4	0	0	0	111.4	Q428 R429 F430 L434 S435 A436	Q428-L432 VanDerWaalsContact O-CB 3.25Å; Q428-L432 WeakPolarHBondContact O-CB 3.38Å; Q428-L432 PolarHBondContact O-N 3.29Å; R429-L432 PolarHBondContact O-N 3.15Å; F430-L432 VanDerWaalsContact C-N 3.31Å; F430-L432 PolarHBondContact O-N 3.27Å; L432-L434 PolarHBondContact O-N 3.4Å; L432-S435 PolarHBondContact O-N 2.82Å; L432-S435 PolarHBondContact O-OG 3.48Å; L432-A436 WeakPolarHBondContact O-CB 3.36Å; L432-A436 PolarHBondContact O-N 2.94Å
433	M	86.4	Confident	86.7	Confident	33 Å²	33	53.7 Å²	53.7	16%	0.163	26%	0.262	C	S	.	.	H	α-helix	trans	-60.8	-44.8	175.7	-173.9	63.4	71.8	0	0	111.7	F402 L405 T409 R429 F430 S435 A436 K437	F402-M433 HydrophobicContact CB-SD 4.37Å; F402-M433 HydrophobicContact CD1-SD 3.61Å; F402-M433 HydrophobicContact CE1-SD 4.38Å; F402-M433 HydrophobicContact CG-SD 4.34Å; L405-M433 HydrophobicContact CB-CE 3.74Å; L405-M433 HydrophobicContact CB-SD 4.21Å; L405-M433 HydrophobicContact CD1-CE 4.06Å; T409-M433 HydrophobicContact CG2-CB 3.84Å; T409-M433 HydrophobicContact CG2-CE 3.61Å; T409-M433 HydrophobicContact CG2-CG 3.75Å; R429-M433 WeakPolarHBondContact O-CB 3.49Å; R429-M433 PolarHBondContact O-N 3.11Å; F430-M433 PolarHBondContact O-N 2.9Å; M433-S435 PolarHBondContact O-N 3.42Å; M433-A436 PolarHBondContact O-N 3.26Å; M433-K437 WeakPolarHBondContact O-CB 3.49Å; M433-K437 PolarHBondContact O-N 3.4Å
434	L	84.1	Confident	86.9	Confident	21 Å²	21	47 Å²	47	11%	0.11	23%	0.234	C	C	.	.	H	α-helix	trans	-64	-41.9	-179.6	-171.1	62.6	0	0	0	112.1	F52 I56 I63 F430 F431 L432 K437 V438	F52-L434 HydrophobicContact CE1-CD2 4.49Å; F52-L434 HydrophobicContact CE2-CD2 4.49Å; F52-L434 HydrophobicContact CZ-CD2 3.78Å; I56-L434 HydrophobicContact CD1-CD2 3.75Å; I56-L434 HydrophobicContact CG1-CD2 4Å; I63-L434 HydrophobicContact CD1-CB 3.92Å; I63-L434 HydrophobicContact CD1-CD2 3.79Å; I63-L434 HydrophobicContact CD1-CG 3.89Å; I63-L434 HydrophobicContact CG2-CG 4.47Å; F430-L434 PolarHBondContact O-N 3.29Å; F431-L434 PolarHBondContact O-N 2.73Å; L432-L434 PolarHBondContact O-N 3.4Å; L434-K437 PolarHBondContact O-N 3.24Å; L434-V438 PolarHBondContact O-N 2.95Å; L434-V438 VanDerWaalsContact O-N 3.13Å
435	S	86.6	Confident	87.1	Confident	19 Å²	19	45.3 Å²	45.3	13%	0.133	23%	0.225	C	C	.	.	H	α-helix	trans	-64.5	-40.5	172.9	65.7	0	0	0	0	112.7	F431 L432 M433 K437 V438 I439	F431-S435 PolarHBondContact O-N 3.04Å; F431-S435 PolarHBondContact O-OG 3.34Å; L432-S435 PolarHBondContact O-N 2.82Å; L432-S435 PolarHBondContact O-OG 3.48Å; M433-S435 PolarHBondContact O-N 3.42Å; S435-K437 VanDerWaalsContact C-N 3.34Å; S435-K437 PolarHBondContact O-N 3.17Å; S435-V438 PolarHBondContact O-N 3.44Å; S435-I439 VanDerWaalsContact O-CG1 3.31Å; S435-I439 WeakPolarHBondContact O-CG1 3.38Å; S435-I439 PolarHBondContact O-N 3.07Å
436	A	88.8	Confident	87.3	Confident	22 Å²	22	43.7 Å²	43.7	18%	0.182	21%	0.213	C	C	.	.	H	α-helix	trans	-65.7	-35.9	176.1	0	0	0	0	0	112.3	F402 L432 M433 I439 G440	F402-A436 HydrophobicContact CD1-CB 4.3Å; F402-A436 HydrophobicContact CD2-CB 4.34Å; F402-A436 WeakPolarHBondContact CD2-O 3.37Å; F402-A436 HydrophobicContact CE1-CB 3.87Å; F402-A436 HydrophobicContact CE2-CB 3.92Å; F402-A436 WeakPolarHBondContact CE2-O 3.29Å; F402-A436 HydrophobicContact CZ-CB 3.69Å; L432-A436 WeakPolarHBondContact O-CB 3.36Å; L432-A436 PolarHBondContact O-N 2.94Å; M433-A436 PolarHBondContact O-N 3.26Å; A436-I439 PolarHBondContact O-N 3.37Å; A436-G440 PolarHBondContact O-N 3.41Å
437	K	87.7	Confident	87.6	Confident	32 Å²	32	41 Å²	41	14%	0.139	20%	0.196	C	C	.	.	H	α-helix	trans	-63.8	-45.8	174.7	-169.8	-179.1	-170.6	178.8	0	111.9	F402 D406 M433 L434 S435 G440 I441	F402-K437 HydrophobicContact CB-CB 4.19Å; F402-K437 HydrophobicContact CB-CG 4.3Å; D406-K437 WeakPolarHBondContact OD1-CD 3.48Å; D406-K437 WeakPolarHBondContact OD1-CE 3.33Å; D406-K437 IonicContact OD1-NZ 3.01Å; D406-K437 PolarHBondContact OD1-NZ 2.9Å; D406-K437 IonicContact OD2-NZ 3.68Å; D406-K437 PolarHBondContact OD2-NZ 3.05Å; M433-K437 WeakPolarHBondContact O-CB 3.49Å; M433-K437 PolarHBondContact O-N 3.4Å; L434-K437 PolarHBondContact O-N 3.24Å; S435-K437 VanDerWaalsContact C-N 3.34Å; S435-K437 PolarHBondContact O-N 3.17Å; K437-G440 PolarHBondContact O-N 2.95Å; K437-I441 HydrophobicContact CG-CD1 4.42Å; K437-I441 WeakPolarHBondContact O-CG1 3.29Å; K437-I441 PolarHBondContact O-N 3.33Å
438	V	86.6	Confident	87.8	Confident	23 Å²	23	41 Å²	41	14%	0.139	20%	0.196	C	C	.	.	H	α-helix	trans	-59.5	-49.5	173.4	172.4	0	0	0	0	110.7	I63 D67 L434 S435 G440 I441 E442	I63-V438 HydrophobicContact CG2-CG2 3.98Å; D67-V438 HydrophobicContact CB-CG1 4.38Å; L434-V438 PolarHBondContact O-N 2.95Å; L434-V438 VanDerWaalsContact O-N 3.13Å; S435-V438 PolarHBondContact O-N 3.44Å; V438-G440 PolarHBondContact O-N 2.95Å; V438-I441 PolarHBondContact O-N 3.19Å; V438-E442 PolarHBondContact O-N 2.95Å
439	I	88.7	Confident	88.1	Confident	81 Å²	81	37.7 Å²	37.7	42%	0.415	18%	0.182	S	C	.	.	H	α-helix	trans	-59.1	-36.9	176	-66.8	164.9	0	0	0	111.5	L66 S435 A436 F443	L66-I439 HydrophobicContact CD1-CD1 4.04Å; L66-I439 HydrophobicContact CD1-CG1 4.24Å; L66-I439 HydrophobicContact CD2-CD1 4.47Å; S435-I439 VanDerWaalsContact O-CG1 3.31Å; S435-I439 WeakPolarHBondContact O-CG1 3.38Å; S435-I439 PolarHBondContact O-N 3.07Å; A436-I439 PolarHBondContact O-N 3.37Å; I439-F443 VanDerWaalsContact O-CB 3.26Å; I439-F443 WeakPolarHBondContact O-CB 3.49Å; I439-F443 PolarHBondContact O-N 3.34Å
440	G	90.3	Very high	88.4	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-68.2	-41.6	176.5	0	0	0	0	0	113.6	A436 K437 V438 E442 S444	A436-G440 PolarHBondContact O-N 3.41Å; K437-G440 PolarHBondContact O-N 2.95Å; V438-G440 PolarHBondContact O-N 2.95Å; G440-E442 VanDerWaalsContact C-N 3.35Å; G440-S444 WeakPolarHBondContact O-CB 3.08Å; G440-S444 PolarHBondContact O-N 3.21Å
441	I	88.5	Confident	88.7	Confident	44 Å²	44	31.5 Å²	31.5	23%	0.226	16%	0.162	C	C	.	.	H	α-helix	trans	-59.1	-49.6	172.7	-70.2	162.7	0	0	0	109.2	W160 N399 K437 V438 S444 N445	W160-I441 HydrophobicContact CZ2-CG2 4.13Å; N399-I441 VanDerWaalsContact OD1-CG1 3.26Å; N399-I441 WeakPolarHBondContact OD1-CG1 3.13Å; K437-I441 HydrophobicContact CG-CD1 4.42Å; K437-I441 WeakPolarHBondContact O-CG1 3.29Å; K437-I441 PolarHBondContact O-N 3.33Å; V438-I441 PolarHBondContact O-N 3.19Å; I441-S444 CarbonylContact O-C 3.4Å; I441-S444 WeakPolarHBondContact O-CA 3.23Å; I441-S444 WeakPolarHBondContact O-CB 3.24Å; I441-S444 PolarHBondContact O-N 3.09Å; I441-S444 PolarHBondContact O-OG 2.82Å; I441-N445 PolarHBondContact O-N 2.91Å; I441-N445 PolarHBondContact O-ND2 3.05Å
442	E	89	Confident	88.9	Confident	9 Å²	9	31.4 Å²	31.4	4%	0.042	16%	0.162	C	C	.	.	H	α-helix	trans	-68.2	-40.2	-177.1	-73.1	-59.1	91.2	0	0	113.6	I70 S71 W74 V438 G440 S444 N445 F446	I70-E442 HydrophobicContact CG2-CB 3.86Å; I70-E442 HydrophobicContact CG2-CG 4.05Å; S71-E442 PolarHBondContact OG-OE2 3.21Å; W74-E442 PolarHBondContact NE1-OE2 3.34Å; V438-E442 PolarHBondContact O-N 2.95Å; G440-E442 VanDerWaalsContact C-N 3.35Å; E442-S444 PolarHBondContact O-N 3.26Å; E442-N445 PolarHBondContact O-N 3.47Å; E442-N445 PolarHBondContact OE1-ND2 2.98Å; E442-F446 WeakPolarHBondContact O-CB 3.42Å; E442-F446 PolarHBondContact O-N 3.49Å
443	F	89.8	Confident	89.1	Confident	91 Å²	91	29 Å²	29	40%	0.399	15%	0.154	S	C	.	.	H	α-helix	trans	-61.9	-31.1	170.8	-165.7	-120.6	0	0	0	112.1	C395 P398 I439	C395-F443 HydrophobicContact CB-CD1 4.18Å; C395-F443 HydrophobicContact CB-CE1 4.17Å; C395-F443 WeakPolarHBondContact CB-O 3.24Å; P398-F443 HydrophobicContact CG-CD1 4.15Å; I439-F443 VanDerWaalsContact O-CB 3.26Å; I439-F443 WeakPolarHBondContact O-CB 3.49Å; I439-F443 PolarHBondContact O-N 3.34Å
444	S	89.5	Confident	89.3	Confident	3 Å²	3	28 Å²	28	2%	0.021	15%	0.149	C	C	.	.	H	α-helix	trans	-73.6	-24.2	174.1	87.5	0	0	0	0	114.1	R164 C395 G440 I441 E442 I447	R164-S444 PolarHBondContact NH2-OG 3.06Å; C395-S444 VanDerWaalsContact O-CA 3.3Å; C395-S444 WeakPolarHBondContact O-CA 3.3Å; C395-S444 WeakPolarHBondContact O-CB 3.49Å; C395-S444 PolarHBondContact O-N 2.91Å; G440-S444 WeakPolarHBondContact O-CB 3.08Å; G440-S444 PolarHBondContact O-N 3.21Å; I441-S444 CarbonylContact O-C 3.4Å; I441-S444 WeakPolarHBondContact O-CA 3.23Å; I441-S444 WeakPolarHBondContact O-CB 3.24Å; I441-S444 PolarHBondContact O-N 3.09Å; I441-S444 PolarHBondContact O-OG 2.82Å; E442-S444 PolarHBondContact O-N 3.26Å; S444-I447 VanDerWaalsContact O-CD1 3.24Å; S444-I447 WeakPolarHBondContact O-CD1 3.31Å
445	N	89.3	Confident	89.5	Confident	4 Å²	4	27 Å²	27	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-84.7	-36	174.6	-69	-37	0	0	0	111.8	W74 Q128 I441 E442 I447 A448	W74-N445 HydrophobicContact CH2-CB 3.67Å; W74-N445 HydrophobicContact CZ2-CB 3.46Å; W74-N445 VanDerWaalsContact CZ2-CB 3.46Å; Q128-N445 PolarHBondContact NE2-OD1 3.37Å; I441-N445 PolarHBondContact O-N 2.91Å; I441-N445 PolarHBondContact O-ND2 3.05Å; E442-N445 PolarHBondContact O-N 3.47Å; E442-N445 PolarHBondContact OE1-ND2 2.98Å; N445-I447 PolarHBondContact O-N 3.31Å; N445-A448 PolarHBondContact O-N 2.8Å; N445-A448 VanDerWaalsContact O-N 3.14Å
446	F	90.4	Very high	89.5	Confident	70 Å²	70	27.9 Å²	27.9	31%	0.307	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-20.6	-176.3	-174	-105.4	0	0	0	115.6	W74 E442 A448 V449 L450	W74-F446 HydrophobicContact CB-CD2 3.77Å; W74-F446 HydrophobicContact CB-CE2 3.98Å; W74-F446 HydrophobicContact CG-CD2 4.01Å; E442-F446 WeakPolarHBondContact O-CB 3.42Å; E442-F446 PolarHBondContact O-N 3.49Å; F446-A448 PolarHBondContact O-N 2.93Å; F446-A448 VanDerWaalsContact O-N 3.09Å; F446-V449 HydrophobicContact CD2-CB 4.39Å; F446-V449 HydrophobicContact CD2-CG2 4.05Å; F446-V449 HydrophobicContact CE2-CB 4.2Å; F446-V449 HydrophobicContact CE2-CG1 4.48Å; F446-V449 HydrophobicContact CE2-CG2 4.1Å; F446-V449 HydrophobicContact CZ-CB 4.47Å; F446-V449 WeakPolarHBondContact O-CB 3.21Å; F446-V449 PolarHBondContact O-N 2.8Å; F446-L450 HydrophobicContact CD1-CD1 3.98Å; F446-L450 HydrophobicContact CD1-CG 4.01Å; F446-L450 HydrophobicContact CE1-CD1 4Å; F446-L450 HydrophobicContact CE1-CD2 3.84Å; F446-L450 HydrophobicContact CE1-CG 3.8Å; F446-L450 PolarHBondContact O-N 3.2Å
447	I	90.4	Very high	89.4	Confident	5 Å²	5	28.8 Å²	28.8	3%	0.026	16%	0.158	C	C	.	.	H	α-helix	trans	-52.5	-31.9	175.1	-51	161.2	0	0	0	111.8	Q392 C395 R396 S444 N445 V449 L450 L451	Q392-I447 HydrophobicContact CG-CD1 4.15Å; C395-I447 HydrophobicContact CB-CD1 3.67Å; C395-I447 HydrophobicContact CB-CG1 3.45Å; C395-I447 VanDerWaalsContact CB-CG1 3.45Å; R396-I447 HydrophobicContact CG-CD1 4.46Å; S444-I447 VanDerWaalsContact O-CD1 3.24Å; S444-I447 WeakPolarHBondContact O-CD1 3.31Å; N445-I447 PolarHBondContact O-N 3.31Å; I447-V449 PolarHBondContact O-N 2.93Å; I447-L450 PolarHBondContact O-N 3.37Å; I447-L451 PolarHBondContact O-N 2.6Å
448	A	89.5	Confident	89.3	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.008	17%	0.168	C	C	.	.	H	α-helix	trans	-58.1	-33.5	174.9	0	0	0	0	0	113.1	W74 H125 N445 F446	W74-A448 HydrophobicContact CZ3-CB 4.21Å; H125-A448 HydrophobicContact CB-CB 4.37Å; N445-A448 PolarHBondContact O-N 2.8Å; N445-A448 VanDerWaalsContact O-N 3.14Å; F446-A448 PolarHBondContact O-N 2.93Å; F446-A448 VanDerWaalsContact O-N 3.09Å
449	V	92.2	Very high	89.1	Confident	21 Å²	21	29.9 Å²	29.9	13%	0.127	16%	0.161	C	C	.	.	H	α-helix	trans	-71.1	-43.1	173.1	-173.3	0	0	0	0	110.8	W74 F77 N81 F446 I447 L451 P453	W74-V449 HydrophobicContact CB-CG2 3.91Å; W74-V449 HydrophobicContact CD2-CG2 4.36Å; W74-V449 HydrophobicContact CE3-CG2 3.71Å; W74-V449 HydrophobicContact CG-CG2 4.47Å; W74-V449 WeakPolarHBondContact O-CG2 3.37Å; F77-V449 HydrophobicContact CB-CG1 4.03Å; F77-V449 HydrophobicContact CB-CG2 4.34Å; N81-V449 PolarHBondContact ND2-O 3.4Å; F446-V449 HydrophobicContact CD2-CB 4.39Å; F446-V449 HydrophobicContact CD2-CG2 4.05Å; F446-V449 HydrophobicContact CE2-CB 4.2Å; F446-V449 HydrophobicContact CE2-CG1 4.48Å; F446-V449 HydrophobicContact CE2-CG2 4.1Å; F446-V449 HydrophobicContact CZ-CB 4.47Å; F446-V449 WeakPolarHBondContact O-CB 3.21Å; F446-V449 PolarHBondContact O-N 2.8Å; I447-V449 PolarHBondContact O-N 2.93Å; V449-L451 VanDerWaalsContact C-N 3.32Å; V449-L451 PolarHBondContact O-N 2.87Å; V449-P453 WeakPolarHBondContact O-CD 3.38Å
450	L	92.2	Very high	88.6	Confident	45 Å²	45	29 Å²	29	24%	0.236	15%	0.154	C	C	.	.	H	α-helix	trans	-70.5	-24.3	-174.9	-63.8	178.8	0	0	0	113.7	I391 F446 I447 L452 P453 I454	I391-L450 HydrophobicContact CG2-CD1 3.72Å; F446-L450 HydrophobicContact CD1-CD1 3.98Å; F446-L450 HydrophobicContact CD1-CG 4.01Å; F446-L450 HydrophobicContact CE1-CD1 4Å; F446-L450 HydrophobicContact CE1-CD2 3.84Å; F446-L450 HydrophobicContact CE1-CG 3.8Å; F446-L450 PolarHBondContact O-N 3.2Å; I447-L450 PolarHBondContact O-N 3.37Å; L450-L452 PolarHBondContact O-N 2.74Å; L450-P453 VanDerWaalsContact O-CD 3.3Å; L450-P453 WeakPolarHBondContact O-CD 3.33Å; L450-I454 HydrophobicContact CB-CD1 4Å; L450-I454 WeakPolarHBondContact O-CD1 3.5Å; L450-I454 WeakPolarHBondContact O-CG1 3.44Å; L450-I454 PolarHBondContact O-N 3.42Å
451	L	89.6	Confident	87.9	Confident	5 Å²	5	29.7 Å²	29.7	3%	0.026	16%	0.157	C	C	.	.	H	α-helix	trans	-53	-50.7	-177.1	-175.2	63.9	0	0	0	113.1	C85 I388 I447 V449 I454 C455	C85-L451 HydrophobicContact CB-CD2 4.44Å; I388-L451 HydrophobicContact CD1-CD1 4.07Å; I388-L451 HydrophobicContact CG1-CD1 4.44Å; I447-L451 PolarHBondContact O-N 2.6Å; V449-L451 VanDerWaalsContact C-N 3.32Å; V449-L451 PolarHBondContact O-N 2.87Å; L451-I454 PolarHBondContact O-N 3.36Å; L451-C455 PolarHBondContact O-N 3.12Å; L451-C455 PolarHBondContact O-SG 3.48Å
452	L	90.8	Very high	87.6	Confident	10 Å²	10	27.6 Å²	27.6	5%	0.052	15%	0.147	C	C	.	.	H	α-helix	trans	-67.7	-48.4	-179.3	-179.4	74.4	0	0	0	112.8	N81 L84 L450 I454 C455 I456 F462	N81-L452 HydrophobicContact CB-CB 3.6Å; N81-L452 HydrophobicContact CB-CD2 4.24Å; N81-L452 VanDerWaalsContact OD1-CD2 3.27Å; N81-L452 WeakPolarHBondContact OD1-CD2 3.4Å; L84-L452 HydrophobicContact CB-CD1 4.28Å; L84-L452 HydrophobicContact CB-CD2 4.39Å; L84-L452 HydrophobicContact CD1-CD2 3.76Å; L450-L452 PolarHBondContact O-N 2.74Å; L452-I454 VanDerWaalsContact C-N 3.33Å; L452-I454 PolarHBondContact O-N 3.16Å; L452-C455 PolarHBondContact O-N 3.06Å; L452-C455 VanDerWaalsContact O-N 3.16Å; L452-I456 HydrophobicContact CD1-CD1 3.92Å; L452-I456 HydrophobicContact CD1-CG1 4.14Å; L452-I456 HydrophobicContact CD2-CD1 4.17Å; L452-I456 HydrophobicContact CG-CD1 3.72Å; L452-I456 HydrophobicContact CG-CG1 4.28Å; L452-I456 WeakPolarHBondContact O-CG1 3.49Å; L452-I456 PolarHBondContact O-N 2.58Å; L452-F462 HydrophobicContact CD1-CE1 3.57Å; L452-F462 HydrophobicContact CD1-CZ 3.58Å
453	P	91.5	Very high	87.4	Confident	70 Å²	70	30.8 Å²	30.8	46%	0.455	16%	0.158	S	C	.	.	H	α-helix	trans	-51.6	-44	170.5	-30	35.3	0	0	0	114.4	V449 L450 I456 G457	V449-P453 WeakPolarHBondContact O-CD 3.38Å; L450-P453 VanDerWaalsContact O-CD 3.3Å; L450-P453 WeakPolarHBondContact O-CD 3.33Å; P453-I456 PolarHBondContact O-N 2.8Å; P453-G457 PolarHBondContact O-N 3.41Å
454	I	90.3	Very high	87.1	Confident	11 Å²	11	31.5 Å²	31.5	6%	0.056	16%	0.163	C	C	.	.	H	α-helix	trans	-61.8	-46.9	176.7	-65	159.6	0	0	0	110	H384 I387 I388 I391 L450 L451 L452 G457 F458	H384-I454 HydrophobicContact CB-CG2 4.48Å; I387-I454 HydrophobicContact CB-CG2 4.29Å; I387-I454 HydrophobicContact CG2-CD1 4.36Å; I387-I454 HydrophobicContact CG2-CG1 4.12Å; I387-I454 HydrophobicContact CG2-CG2 3.77Å; I388-I454 HydrophobicContact CG1-CG2 3.97Å; I391-I454 HydrophobicContact CD1-CD1 3.66Å; I391-I454 HydrophobicContact CD1-CG1 4.13Å; L450-I454 HydrophobicContact CB-CD1 4Å; L450-I454 WeakPolarHBondContact O-CD1 3.5Å; L450-I454 WeakPolarHBondContact O-CG1 3.44Å; L450-I454 PolarHBondContact O-N 3.42Å; L451-I454 PolarHBondContact O-N 3.36Å; L452-I454 VanDerWaalsContact C-N 3.33Å; L452-I454 PolarHBondContact O-N 3.16Å; I454-G457 PolarHBondContact O-N 3.41Å; I454-F458 HydrophobicContact CG2-CD2 4.23Å; I454-F458 WeakPolarHBondContact O-CB 3.12Å; I454-F458 WeakPolarHBondContact O-CD2 3.06Å; I454-F458 PolarHBondContact O-N 2.97Å
455	C	87.1	Confident	86.7	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67.8	-37.7	-178.6	-63.7	0	0	0	0	112.8	Y89 L451 L452 C459 F462	Y89-C455 PolarHBondContact OH-SG 3.47Å; L451-C455 PolarHBondContact O-N 3.12Å; L451-C455 PolarHBondContact O-SG 3.48Å; L452-C455 PolarHBondContact O-N 3.06Å; L452-C455 VanDerWaalsContact O-N 3.16Å; C455-C459 WeakPolarHBondContact O-CA 3.38Å; C455-C459 WeakPolarHBondContact O-CB 3.31Å; C455-C459 PolarHBondContact O-N 2.93Å; C455-C459 VanDerWaalsContact O-O 3.1Å; C455-F462 HydrophobicContact CB-CD1 3.65Å; C455-F462 HydrophobicContact CB-CD2 4.04Å; C455-F462 HydrophobicContact CB-CE1 3.67Å; C455-F462 HydrophobicContact CB-CE2 4.04Å; C455-F462 HydrophobicContact CB-CG 3.85Å; C455-F462 HydrophobicContact CB-CZ 3.86Å
456	I	88.1	Confident	86.6	Confident	37 Å²	37	34.1 Å²	34.1	19%	0.19	18%	0.175	C	C	.	.	H	α-helix	trans	-70	-41.1	174.8	-67.2	173.9	0	0	0	111.4	L452 P453 F462 R463 F466	L452-I456 HydrophobicContact CD1-CD1 3.92Å; L452-I456 HydrophobicContact CD1-CG1 4.14Å; L452-I456 HydrophobicContact CD2-CD1 4.17Å; L452-I456 HydrophobicContact CG-CD1 3.72Å; L452-I456 HydrophobicContact CG-CG1 4.28Å; L452-I456 WeakPolarHBondContact O-CG1 3.49Å; L452-I456 PolarHBondContact O-N 2.58Å; P453-I456 PolarHBondContact O-N 2.8Å; I456-F462 HydrophobicContact CG1-CD1 4.23Å; I456-F462 HydrophobicContact CG1-CE1 3.94Å; I456-R463 HydrophobicContact CG2-CG 4.45Å; I456-R463 WeakPolarHBondContact O-CD 3.31Å; I456-R463 PolarHBondContact O-NH1 3.12Å; I456-F466 HydrophobicContact CD1-CD1 3.78Å; I456-F466 HydrophobicContact CD1-CD2 4.37Å; I456-F466 HydrophobicContact CD1-CE1 3.55Å; I456-F466 HydrophobicContact CD1-CE2 4.18Å; I456-F466 HydrophobicContact CD1-CG 4.18Å; I456-F466 HydrophobicContact CD1-CZ 3.77Å; I456-F466 HydrophobicContact CG1-CD1 4.16Å; I456-F466 HydrophobicContact CG1-CE1 4.42Å; I456-F466 HydrophobicContact CG1-CG 4.38Å
457	G	86.9	Confident	86.3	Confident	41 Å²	41	36.3 Å²	36.3	42%	0.423	18%	0.182	S	C	.	.	H	α-helix	trans	-67.1	-52.7	179.4	0	0	0	0	0	112.1	P453 I454 R463	P453-G457 PolarHBondContact O-N 3.41Å; I454-G457 PolarHBondContact O-N 3.41Å; G457-R463 PolarHBondContact O-NH1 3.42Å
458	F	84.7	Confident	85.9	Confident	77 Å²	77	37.6 Å²	37.6	34%	0.338	20%	0.197	S	C	.	.	H	α-helix	trans	-105.3	-17.4	-165.3	-61.9	-80.5	0	0	0	115.3	F380 L383 H384 I387 I454	F380-F458 CarbonylContact C-O 3.57Å; F380-F458 WeakPolarHBondContact CB-O 3.2Å; L383-F458 HydrophobicContact CD2-CD1 4.04Å; L383-F458 HydrophobicContact CD2-CE1 4.35Å; L383-F458 HydrophobicContact CG-CD1 4.38Å; H384-F458 HydrophobicContact CB-CB 3.49Å; H384-F458 VanDerWaalsContact CB-CB 3.49Å; I387-F458 HydrophobicContact CD1-CD1 3.54Å; I387-F458 HydrophobicContact CD1-CD2 3.71Å; I387-F458 HydrophobicContact CD1-CE1 3.47Å; I387-F458 VanDerWaalsContact CD1-CE1 3.47Å; I387-F458 HydrophobicContact CD1-CE2 3.65Å; I387-F458 HydrophobicContact CD1-CG 3.67Å; I387-F458 HydrophobicContact CD1-CZ 3.53Å; I454-F458 HydrophobicContact CG2-CD2 4.23Å; I454-F458 WeakPolarHBondContact O-CB 3.12Å; I454-F458 WeakPolarHBondContact O-CD2 3.06Å; I454-F458 PolarHBondContact O-N 2.97Å
459	C	81.9	Confident	85.6	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.007	21%	0.213	C	C	.	.			trans	-105.5	111.6	171.8	-177.1	0	0	0	0	110.9	H384 C455 F462 R463	H384-C459 HydrophobicContact CB-CB 4.46Å; C455-C459 WeakPolarHBondContact O-CA 3.38Å; C455-C459 WeakPolarHBondContact O-CB 3.31Å; C455-C459 PolarHBondContact O-N 2.93Å; C455-C459 VanDerWaalsContact O-O 3.1Å; C459-F462 HydrophobicContact CB-CB 3.69Å; C459-F462 VanDerWaalsContact SG-CB 3.51Å; C459-F462 PolarHBondContact SG-N 3.27Å; C459-F462 VanDerWaalsContact SG-N 3.37Å; C459-R463 WeakPolarHBondContact O-CB 3.21Å; C459-R463 PolarHBondContact O-N 3.23Å
460	K	78.4	Confident	85.1	Confident	63 Å²	63	45.4 Å²	45.4	27%	0.274	24%	0.237	S	C	.	.	H	α-helix	trans	-69.5	-37.4	-176.6	173.6	-171.9	175	-170.5	0	111.8	R463 Q464	K460-R463 PolarHBondContact O-N 2.84Å; K460-Q464 WeakPolarHBondContact O-CB 3.28Å; K460-Q464 WeakPolarHBondContact O-CG 3.49Å; K460-Q464 PolarHBondContact O-N 3.24Å
461	E	75.1	Confident	84.4	Confident	15 Å²	15	51.4 Å²	51.4	7%	0.07	26%	0.261	C	S	.	.	H	α-helix	trans	-72.8	-40	-177.5	-69.7	58.1	-134.4	0	0	110.1	E381 Q464 N465	E381-E461 WeakPolarHBondContact CG-OE2 3.48Å; E461-Q464 PolarHBondContact O-N 2.95Å; E461-N465 PolarHBondContact O-N 3.38Å
462	F	83.1	Confident	82.9	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.2	-49.3	167.5	-174.7	-82.1	0	0	0	111.1	I88 Y89 L452 C455 I456 C459 Q464 N465 F466	I88-F462 HydrophobicContact CB-CD2 4.28Å; I88-F462 HydrophobicContact CB-CE2 3.82Å; I88-F462 HydrophobicContact CB-CZ 4.3Å; I88-F462 HydrophobicContact CD1-CD1 4.47Å; I88-F462 HydrophobicContact CD1-CE1 3.77Å; I88-F462 HydrophobicContact CD1-CE2 3.86Å; I88-F462 HydrophobicContact CD1-CZ 3.43Å; I88-F462 VanDerWaalsContact CD1-CZ 3.43Å; I88-F462 HydrophobicContact CG1-CE2 4.45Å; I88-F462 HydrophobicContact CG1-CZ 4.45Å; I88-F462 HydrophobicContact CG2-CD2 3.51Å; I88-F462 HydrophobicContact CG2-CE2 3.59Å; I88-F462 HydrophobicContact CG2-CG 4.2Å; I88-F462 HydrophobicContact CG2-CZ 4.3Å; Y89-F462 HydrophobicContact CD1-CD2 4.24Å; Y89-F462 HydrophobicContact CD1-CE2 4.35Å; Y89-F462 AromaticContact CE1-CD2 3.54Å; Y89-F462 HydrophobicContact CE1-CD2 3.54Å; Y89-F462 AromaticContact CE1-CE2 3.81Å; Y89-F462 HydrophobicContact CE1-CE2 3.81Å; Y89-F462 HydrophobicContact CE2-CE2 4.11Å; Y89-F462 AromaticContact CZ-CD2 3.77Å; Y89-F462 AromaticContact CZ-CE2 3.68Å; L452-F462 HydrophobicContact CD1-CE1 3.57Å; L452-F462 HydrophobicContact CD1-CZ 3.58Å; C455-F462 HydrophobicContact CB-CD1 3.65Å; C455-F462 HydrophobicContact CB-CD2 4.04Å; C455-F462 HydrophobicContact CB-CE1 3.67Å; C455-F462 HydrophobicContact CB-CE2 4.04Å; C455-F462 HydrophobicContact CB-CG 3.85Å; C455-F462 HydrophobicContact CB-CZ 3.86Å; I456-F462 HydrophobicContact CG1-CD1 4.23Å; I456-F462 HydrophobicContact CG1-CE1 3.94Å; C459-F462 HydrophobicContact CB-CB 3.69Å; C459-F462 VanDerWaalsContact SG-CB 3.51Å; C459-F462 PolarHBondContact SG-N 3.27Å; C459-F462 VanDerWaalsContact SG-N 3.37Å; F462-Q464 VanDerWaalsContact C-N 3.3Å; F462-Q464 PolarHBondContact O-N 3.38Å; F462-N465 PolarHBondContact O-N 3.3Å; F462-N465 VanDerWaalsContact O-N 3.12Å; F462-F466 WeakPolarHBondContact O-CB 3.37Å; F462-F466 PolarHBondContact O-N 3.11Å
463	R	85.4	Confident	81.1	Confident	77 Å²	77	64 Å²	64	29%	0.291	33%	0.325	S	S	.	.	H	α-helix	trans	-59.7	-37.6	176.8	179.3	169.8	63.6	-126.9	9.3	112.6	I456 G457 C459 K460 F466 Y467	I456-R463 HydrophobicContact CG2-CG 4.45Å; I456-R463 WeakPolarHBondContact O-CD 3.31Å; I456-R463 PolarHBondContact O-NH1 3.12Å; G457-R463 PolarHBondContact O-NH1 3.42Å; C459-R463 WeakPolarHBondContact O-CB 3.21Å; C459-R463 PolarHBondContact O-N 3.23Å; K460-R463 PolarHBondContact O-N 2.84Å; R463-F466 PolarHBondContact O-N 3.32Å; R463-Y467 HydrophobicContact CG-CD2 3.84Å; R463-Y467 HydrophobicContact CG-CE1 4.35Å; R463-Y467 HydrophobicContact CG-CE2 3.39Å; R463-Y467 HydrophobicContact CG-CG 4.49Å; R463-Y467 WeakPolarHBondContact O-CB 3.3Å; R463-Y467 WeakPolarHBondContact O-CD2 3.42Å; R463-Y467 VanDerWaalsContact O-CG 3.27Å; R463-Y467 PolarHBondContact O-N 3.27Å
464	Q	82.8	Confident	79.3	Confident	106 Å²	106	66.3 Å²	66.3	50%	0.495	33%	0.332	S	S	.	.	H	α-helix	trans	-64.1	-42.5	173.8	-79.7	-179.2	-18.8	0	0	112	K460 E461 F462 G468	K460-Q464 WeakPolarHBondContact O-CB 3.28Å; K460-Q464 WeakPolarHBondContact O-CG 3.49Å; K460-Q464 PolarHBondContact O-N 3.24Å; E461-Q464 PolarHBondContact O-N 2.95Å; F462-Q464 VanDerWaalsContact C-N 3.3Å; F462-Q464 PolarHBondContact O-N 3.38Å; Q464-G468 PolarHBondContact O-N 2.7Å
465	N	81.9	Confident	77.7	Confident	30 Å²	30	69 Å²	69	16%	0.16	35%	0.351	C	S	.	.	H	α-helix	trans	-69.4	-39.3	175.4	-78.8	-2.2	0	0	0	112.9	I88 W94 E461 F462 G468 L469	I88-N465 HydrophobicContact CG2-CB 4.02Å; W94-N465 WeakPolarHBondContact CB-ND2 3.43Å; E461-N465 PolarHBondContact O-N 3.38Å; F462-N465 PolarHBondContact O-N 3.3Å; F462-N465 VanDerWaalsContact O-N 3.12Å; N465-G468 CarbonylContact O-C 3.58Å; N465-G468 WeakPolarHBondContact O-CA 3.29Å; N465-G468 PolarHBondContact O-N 2.91Å; N465-L469 WeakPolarHBondContact O-CG 3.33Å; N465-L469 PolarHBondContact O-N 3.25Å
466	F	85.5	Confident	76.3	Confident	31 Å²	31	78.1 Å²	78.1	14%	0.136	39%	0.39	C	S	.	.	H	α-helix	trans	-61.1	-46.2	173.7	-179.9	-107	0	0	0	111.4	L84 I88 I456 F462 R463 G468 L469 L470	L84-F466 HydrophobicContact CD1-CE2 4.37Å; I88-F466 HydrophobicContact CD1-CB 3.98Å; I88-F466 HydrophobicContact CD1-CD2 4Å; I88-F466 HydrophobicContact CD1-CG 4.5Å; I456-F466 HydrophobicContact CD1-CD1 3.78Å; I456-F466 HydrophobicContact CD1-CD2 4.37Å; I456-F466 HydrophobicContact CD1-CE1 3.55Å; I456-F466 HydrophobicContact CD1-CE2 4.18Å; I456-F466 HydrophobicContact CD1-CG 4.18Å; I456-F466 HydrophobicContact CD1-CZ 3.77Å; I456-F466 HydrophobicContact CG1-CD1 4.16Å; I456-F466 HydrophobicContact CG1-CE1 4.42Å; I456-F466 HydrophobicContact CG1-CG 4.38Å; F462-F466 WeakPolarHBondContact O-CB 3.37Å; F462-F466 PolarHBondContact O-N 3.11Å; R463-F466 PolarHBondContact O-N 3.32Å; F466-G468 VanDerWaalsContact C-N 3.26Å; F466-G468 PolarHBondContact O-N 3.36Å; F466-L469 PolarHBondContact O-N 3.2Å; F466-L470 HydrophobicContact CD1-CD1 3.96Å; F466-L470 HydrophobicContact CE1-CD1 3.46Å; F466-L470 VanDerWaalsContact CE1-CD1 3.46Å; F466-L470 HydrophobicContact CE1-CG 4.4Å; F466-L470 HydrophobicContact CE2-CD1 4.47Å; F466-L470 HydrophobicContact CZ-CD1 3.77Å; F466-L470 HydrophobicContact CZ-CG 4.4Å; F466-L470 WeakPolarHBondContact O-CG 3.4Å; F466-L470 PolarHBondContact O-N 2.81Å
467	Y	85.5	Confident	75	Confident	116 Å²	116	82.3 Å²	82.3	46%	0.455	41%	0.412	S	S	.	.	H	α-helix	trans	-67	-25.9	170.7	-65.8	-24	0	0	0	113	R463 L470 K471	R463-Y467 HydrophobicContact CG-CD2 3.84Å; R463-Y467 HydrophobicContact CG-CE1 4.35Å; R463-Y467 HydrophobicContact CG-CE2 3.39Å; R463-Y467 HydrophobicContact CG-CG 4.49Å; R463-Y467 WeakPolarHBondContact O-CB 3.3Å; R463-Y467 WeakPolarHBondContact O-CD2 3.42Å; R463-Y467 VanDerWaalsContact O-CG 3.27Å; R463-Y467 PolarHBondContact O-N 3.27Å; Y467-L470 HydrophobicContact CD1-CD1 4.42Å; Y467-K471 WeakPolarHBondContact O-CB 3.47Å; Y467-K471 WeakPolarHBondContact O-CG 3.4Å; Y467-K471 PolarHBondContact O-N 3.05Å
468	G	81.6	Confident	73.9	Confident	33 Å²	33	84.5 Å²	84.5	34%	0.34	41%	0.413	S	S	.	.	H	α-helix	trans	-62.2	-52.5	169.1	0	0	0	0	0	111.3	Q464 N465 F466 L470 K471 C472	Q464-G468 PolarHBondContact O-N 2.7Å; N465-G468 CarbonylContact O-C 3.58Å; N465-G468 WeakPolarHBondContact O-CA 3.29Å; N465-G468 PolarHBondContact O-N 2.91Å; F466-G468 VanDerWaalsContact C-N 3.26Å; F466-G468 PolarHBondContact O-N 3.36Å; G468-L470 PolarHBondContact O-N 3.44Å; G468-K471 CarbonylContact O-C 3.47Å; G468-K471 WeakPolarHBondContact O-CA 3.3Å; G468-K471 PolarHBondContact O-N 2.83Å; G468-K471 VanDerWaalsContact O-N 3.09Å; G468-C472 PolarHBondContact O-N 2.94Å; G468-C472 PolarHBondContact O-SG 2.99Å
469	L	82.2	Confident	72.8	Confident	65 Å²	65	87.3 Å²	87.3	34%	0.34	43%	0.425	S	S	.	.	H	α-helix	trans	-60.2	-43.8	176.1	-67.9	171.5	0	0	0	112.2	I87 I88 N465 F466 K471 C472	I87-L469 HydrophobicContact CG2-CD1 4.02Å; I88-L469 HydrophobicContact CD1-CD1 4.11Å; I88-L469 HydrophobicContact CG1-CD1 3.51Å; N465-L469 WeakPolarHBondContact O-CG 3.33Å; N465-L469 PolarHBondContact O-N 3.25Å; F466-L469 PolarHBondContact O-N 3.2Å; L469-K471 VanDerWaalsContact C-N 3.27Å; L469-K471 PolarHBondContact O-N 2.69Å; L469-C472 WeakPolarHBondContact O-CB 3.44Å; L469-C472 PolarHBondContact O-N 2.81Å
470	L	82.6	Confident	72	Confident	120 Å²	120	91.5 Å²	91.5	63%	0.628	45%	0.45	S	S	*	.	H	α-helix	trans	-67.8	-24.7	174.8	-68.6	177.3	0	0	0	113.3	F466 Y467 G468	F466-L470 HydrophobicContact CD1-CD1 3.96Å; F466-L470 HydrophobicContact CE1-CD1 3.46Å; F466-L470 VanDerWaalsContact CE1-CD1 3.46Å; F466-L470 HydrophobicContact CE1-CG 4.4Å; F466-L470 HydrophobicContact CE2-CD1 4.47Å; F466-L470 HydrophobicContact CZ-CD1 3.77Å; F466-L470 HydrophobicContact CZ-CG 4.4Å; F466-L470 WeakPolarHBondContact O-CG 3.4Å; F466-L470 PolarHBondContact O-N 2.81Å; Y467-L470 HydrophobicContact CD1-CD1 4.42Å; G468-L470 PolarHBondContact O-N 3.44Å
471	K	77.9	Confident	71.4	Confident	171 Å²	171	91.5 Å²	91.5	74%	0.743	46%	0.456	S	S	*	.	H	α-helix	trans	-91.3	-7.3	173.8	-74.2	178.2	179.3	-175.8	0	113.7	Y467 G468 L469 K473	Y467-K471 WeakPolarHBondContact O-CB 3.47Å; Y467-K471 WeakPolarHBondContact O-CG 3.4Å; Y467-K471 PolarHBondContact O-N 3.05Å; G468-K471 CarbonylContact O-C 3.47Å; G468-K471 WeakPolarHBondContact O-CA 3.3Å; G468-K471 PolarHBondContact O-N 2.83Å; G468-K471 VanDerWaalsContact O-N 3.09Å; L469-K471 VanDerWaalsContact C-N 3.27Å; L469-K471 PolarHBondContact O-N 2.69Å; K471-K473 VanDerWaalsContact C-N 3.32Å; K471-K473 PolarHBondContact O-N 3.45Å
472	C	57.3	Low	70.8	Confident	85 Å²	85	95.3 Å²	95.3	57%	0.574	48%	0.476	S	S	*	.	S	Bend	trans	-61.6	99	167.4	-73.6	0	0	0	0	107.4	G468 L469 I474	G468-C472 PolarHBondContact O-N 2.94Å; G468-C472 PolarHBondContact O-SG 2.99Å; L469-C472 WeakPolarHBondContact O-CB 3.44Å; L469-C472 PolarHBondContact O-N 2.81Å; C472-I474 PolarHBondContact O-N 2.82Å
473	K	54	Low	69.8	Low	195 Å²	195	101 Å²	101	85%	0.848	51%	0.506	S	S	*	.			trans	-44	118.6	176.6	-74.5	171.6	176.2	168.3	0	108.2	K471	K471-K473 VanDerWaalsContact C-N 3.32Å; K471-K473 PolarHBondContact O-N 3.45Å
474	I	53	Low	69	Low	118 Å²	118	101.4 Å²	101.4	61%	0.605	52%	0.52	S	S	*	.			trans	-39	115	171	-64.8	169.5	0	0	0	106.4	C472 K476 I478	C472-I474 PolarHBondContact O-N 2.82Å; I474-K476 PolarHBondContact O-N 3.34Å; I474-I478 HydrophobicContact CG2-CB 3.81Å; I474-I478 HydrophobicContact CG2-CG2 3.67Å
475	P	56.1	Low	67.9	Low	69 Å²	69	102.2 Å²	102.2	45%	0.448	53%	0.528	S	S	.	.			trans	-56.1	138.5	-166.7	19	-31.3	0	0	0	108.3	I477 I478 K479	P475-I477 CarbonylContact O-C 3.57Å; P475-I477 PolarHBondContact O-N 2.77Å; P475-I478 HydrophobicContact CG-CB 4.35Å; P475-I478 HydrophobicContact CG-CD1 3.78Å; P475-I478 HydrophobicContact CG-CG1 4Å; P475-I478 PolarHBondContact O-N 2.84Å; P475-K479 PolarHBondContact O-N 3.43Å
476	K	58.9	Low	66.6	Low	190 Å²	190	109.3 Å²	109.3	83%	0.826	55%	0.554	S	S	*	*	H	α-helix	trans	-49.5	-35.6	-170.4	-75	-174.8	177.7	-179.7	0	111.8	I474 K479 T480	I474-K476 PolarHBondContact O-N 3.34Å; K476-K479 CarbonylContact O-C 3.52Å; K476-K479 PolarHBondContact O-N 3.36Å; K476-T480 PolarHBondContact O-N 2.85Å; K476-T480 PolarHBondContact O-OG1 2.88Å
477	I	61.2	Low	64.8	Low	126 Å²	126	113 Å²	113	65%	0.646	58%	0.58	S	S	*	*	H	α-helix	trans	-44.8	-65.3	168.6	-58.8	169.1	0	0	0	111.8	P475 K479 T480 T481	P475-I477 CarbonylContact O-C 3.57Å; P475-I477 PolarHBondContact O-N 2.77Å; I477-K479 PolarHBondContact O-N 2.93Å; I477-T480 WeakPolarHBondContact CA-OG1 3.48Å; I477-T480 CarbonylContact O-C 3.55Å; I477-T480 WeakPolarHBondContact O-CA 3.45Å; I477-T480 PolarHBondContact O-N 3.35Å; I477-T480 PolarHBondContact O-OG1 2.96Å; I477-T481 PolarHBondContact O-N 3.31Å; I477-T481 PolarHBondContact O-OG1 3.28Å
478	I	62	Low	63.2	Low	86 Å²	86	116.6 Å²	116.6	44%	0.441	60%	0.598	S	S	.	*	H	α-helix	trans	-58.7	-35.9	179.9	-66.7	177	0	0	0	111.5	I474 P475 T481 L482	I474-I478 HydrophobicContact CG2-CB 3.81Å; I474-I478 HydrophobicContact CG2-CG2 3.67Å; P475-I478 HydrophobicContact CG-CB 4.35Å; P475-I478 HydrophobicContact CG-CD1 3.78Å; P475-I478 HydrophobicContact CG-CG1 4Å; P475-I478 PolarHBondContact O-N 2.84Å; I478-T481 PolarHBondContact O-N 3.47Å; I478-L482 HydrophobicContact CG2-CD1 4.03Å; I478-L482 WeakPolarHBondContact O-CB 3.4Å; I478-L482 PolarHBondContact O-N 3.45Å
479	K	63.4	Low	61.6	Low	137 Å²	137	126.1 Å²	126.1	60%	0.596	63%	0.626	S	S	*	*	H	α-helix	trans	-66.5	-38.3	175.2	-170.9	172.3	-178.8	176.1	0	112.1	P475 K476 I477 L483	P475-K479 PolarHBondContact O-N 3.43Å; K476-K479 CarbonylContact O-C 3.52Å; K476-K479 PolarHBondContact O-N 3.36Å; I477-K479 PolarHBondContact O-N 2.93Å; K479-L483 HydrophobicContact CG-CD1 4.25Å; K479-L483 WeakPolarHBondContact O-CB 3.33Å; K479-L483 WeakPolarHBondContact O-CD1 3.24Å; K479-L483 VanDerWaalsContact O-CG 3.23Å; K479-L483 WeakPolarHBondContact O-CG 3.27Å; K479-L483 PolarHBondContact O-N 3.47Å; K479-L483 VanDerWaalsContact O-N 3.15Å
480	T	65.1	Low	59.6	Low	88 Å²	88	129 Å²	129	54%	0.54	65%	0.646	S	S	.	*	H	α-helix	trans	-70.4	-37.7	171.4	36.4	0	0	0	0	112.5	K476 I477 L483 S484	K476-T480 PolarHBondContact O-N 2.85Å; K476-T480 PolarHBondContact O-OG1 2.88Å; I477-T480 WeakPolarHBondContact CA-OG1 3.48Å; I477-T480 CarbonylContact O-C 3.55Å; I477-T480 WeakPolarHBondContact O-CA 3.45Å; I477-T480 PolarHBondContact O-N 3.35Å; I477-T480 PolarHBondContact O-OG1 2.96Å; T480-L483 CarbonylContact O-C 3.48Å; T480-L483 PolarHBondContact O-N 3.05Å; T480-L483 VanDerWaalsContact O-N 3.16Å; T480-S484 PolarHBondContact O-N 2.82Å; T480-S484 PolarHBondContact O-OG 3.3Å
481	T	65.4	Low	57.6	Low	64 Å²	64	134 Å²	134	39%	0.393	66%	0.657	S	S	.	*	H	α-helix	trans	-65.6	-41.8	177.5	-46.5	0	0	0	0	111.6	I477 I478 L483 S484 L485	I477-T481 PolarHBondContact O-N 3.31Å; I477-T481 PolarHBondContact O-OG1 3.28Å; I478-T481 PolarHBondContact O-N 3.47Å; T481-L483 VanDerWaalsContact C-N 3.32Å; T481-L483 PolarHBondContact O-N 3.17Å; T481-S484 WeakPolarHBondContact CA-OG 3.43Å; T481-S484 PolarHBondContact O-N 3.43Å; T481-S484 PolarHBondContact O-OG 3.15Å; T481-L485 HydrophobicContact CG2-CD1 4.07Å; T481-L485 WeakPolarHBondContact O-CB 3.34Å; T481-L485 VanDerWaalsContact O-CG 3.24Å; T481-L485 WeakPolarHBondContact O-CG 3.15Å; T481-L485 PolarHBondContact O-N 3.13Å
482	L	61.2	Low	55.9	Low	95 Å²	95	131.4 Å²	131.4	50%	0.497	66%	0.66	S	S	.	*	H	α-helix	trans	-66.8	-32.2	172.3	-78.8	167.5	0	0	0	112.4	I478 Y486	I478-L482 HydrophobicContact CG2-CD1 4.03Å; I478-L482 WeakPolarHBondContact O-CB 3.4Å; I478-L482 PolarHBondContact O-N 3.45Å; L482-Y486 PolarHBondContact O-N 3.3Å
483	L	62.8	Low	55.1	Low	119 Å²	119	137.7 Å²	137.7	62%	0.623	67%	0.672	S	S	*	*	H	α-helix	trans	-75.5	-24.4	173.9	-75	168.1	0	0	0	113.4	K479 T480 T481	K479-L483 HydrophobicContact CG-CD1 4.25Å; K479-L483 WeakPolarHBondContact O-CB 3.33Å; K479-L483 WeakPolarHBondContact O-CD1 3.24Å; K479-L483 VanDerWaalsContact O-CG 3.23Å; K479-L483 WeakPolarHBondContact O-CG 3.27Å; K479-L483 PolarHBondContact O-N 3.47Å; K479-L483 VanDerWaalsContact O-N 3.15Å; T480-L483 CarbonylContact O-C 3.48Å; T480-L483 PolarHBondContact O-N 3.05Å; T480-L483 VanDerWaalsContact O-N 3.16Å; T481-L483 VanDerWaalsContact C-N 3.32Å; T481-L483 PolarHBondContact O-N 3.17Å
484	S	68.8	Low	54.6	Low	85 Å²	85	135.4 Å²	135.4	59%	0.594	67%	0.667	S	S	*	*	H	α-helix	trans	-85.5	-29.4	172.4	61.5	0	0	0	0	113	T480 T481 Y486	T480-S484 PolarHBondContact O-N 2.82Å; T480-S484 PolarHBondContact O-OG 3.3Å; T481-S484 WeakPolarHBondContact CA-OG 3.43Å; T481-S484 PolarHBondContact O-N 3.43Å; T481-S484 PolarHBondContact O-OG 3.15Å; S484-Y486 VanDerWaalsContact C-N 3.28Å
485	L	59	Low	54.2	Low	123 Å²	123	137.1 Å²	137.1	64%	0.644	68%	0.676	S	S	*	*	H	α-helix	trans	-73.9	-17.3	173.3	-73.6	169.4	0	0	0	113.2	T481 P487	T481-L485 HydrophobicContact CG2-CD1 4.07Å; T481-L485 WeakPolarHBondContact O-CB 3.34Å; T481-L485 VanDerWaalsContact O-CG 3.24Å; T481-L485 WeakPolarHBondContact O-CG 3.15Å; T481-L485 PolarHBondContact O-N 3.13Å; L485-P487 WeakPolarHBondContact O-CD 3.43Å
486	Y	54.9	Low	53.5	Low	180 Å²	180	140.1 Å²	140.1	71%	0.706	69%	0.693	S	S	*	*	S	Bend	trans	-107.5	80.7	167.2	-83.3	-81.8	0	0	0	111.2	L482 S484 K488	L482-Y486 PolarHBondContact O-N 3.3Å; S484-Y486 VanDerWaalsContact C-N 3.28Å; Y486-K488 VanDerWaalsContact C-N 3.33Å; Y486-K488 PolarHBondContact O-N 3.44Å
487	P	48.1	Very low	52.4	Low	108 Å²	108	136.7 Å²	136.7	70%	0.701	69%	0.693	S	S	*	*			trans	-65.3	93.5	169.8	28.6	-34.2	0	0	0	109.4	L485 Y489	L485-P487 WeakPolarHBondContact O-CD 3.43Å; P487-Y489 PolarHBondContact O-N 2.99Å
488	K	51.2	Low	51.7	Low	191 Å²	191	136.1 Å²	136.1	83%	0.83	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-59.5	127.8	176.8	-89	-166.2	171.9	-171	0	110.1	Y486 T490	Y486-K488 VanDerWaalsContact C-N 3.33Å; Y486-K488 PolarHBondContact O-N 3.44Å; K488-T490 PolarHBondContact O-N 2.88Å
489	Y	47.5	Very low	50.7	Low	234 Å²	234	142.9 Å²	142.9	92%	0.918	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-49.6	131.5	173.5	-100.3	-107.6	0	0	0	111.4	P487	P487-Y489 PolarHBondContact O-N 2.99Å
490	T	42	Very low	49.6	Very low	125 Å²	125	140.5 Å²	140.5	77%	0.767	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-81.5	164.3	-179.1	53.6	0	0	0	0	112.8	K488	K488-T490 PolarHBondContact O-N 2.88Å
491	R	40.2	Very low	48.5	Very low	226 Å²	226	144 Å²	144	85%	0.853	73%	0.73	S	S	*	*			trans	111.7	79.6	130.5	-156	-176.5	-157.7	175.4	6	119.8
492	S	40.7	Very low	47.7	Very low	116 Å²	116	148.3 Å²	148.3	81%	0.811	75%	0.75	S	S	*	*			trans	-160	126.2	141	42.1	0	0	0	0	106.3
493	R	42.3	Very low	46.9	Very low	217 Å²	217	148.2 Å²	148.2	82%	0.819	76%	0.756	S	S	*	*			cis	62.8	121	22.7	-111	-162.6	-174	-166.4	2.9	112.6
494	I	42.4	Very low	46	Very low	146 Å²	146	149.6 Å²	149.6	75%	0.749	76%	0.764	S	S	*	*			cis	-125.6	-162.6	-2.2	-9.7	177.6	0	0	0	108.1
495	I	44.3	Very low	44.6	Very low	155 Å²	155	152.5 Å²	152.5	80%	0.795	77%	0.773	S	S	*	*			cis	-137.1	161.3	15.7	-55.7	162.9	0	0	0	108.4
496	T	42.4	Very low	44	Very low	131 Å²	131	151.1 Å²	151.1	80%	0.804	77%	0.773	S	S	*	*			trans	-118.9	156.4	172.1	44.5	0	0	0	0	112.2
497	S	36	Very low	43.6	Very low	118 Å²	118	150.1 Å²	150.1	83%	0.825	78%	0.778	S	S	*	*			trans	-70.9	158.8	-175.6	82.5	0	0	0	0	114.4
498	S	46	Very low	43.3	Very low	115 Å²	115	149.9 Å²	149.9	80%	0.804	78%	0.777	S	S	*	*			trans	-78.7	178	159.8	50.6	0	0	0	0	111.4
499	R	40.4	Very low	43	Very low	228 Å²	228	148.2 Å²	148.2	86%	0.86	77%	0.772	S	S	*	*			trans	-147.3	155.4	-159.6	-173.8	-174.8	-175.1	-172.8	1.6	111
500	S	41	Very low	42.8	Very low	86 Å²	86	144.2 Å²	144.2	60%	0.601	76%	0.761	S	S	*	*			trans	64.6	146.3	162.5	53.4	0	0	0	0	116.7
501	H	42.7	Very low	42.9	Very low	161 Å²	161	145.3 Å²	145.3	75%	0.745	76%	0.757	S	S	*	*			cis	-162.5	160	43.7	-103.3	-77.8	0	0	0	113.9
502	L	47.3	Very low	43	Very low	155 Å²	155	141.5 Å²	141.5	81%	0.812	75%	0.749	S	S	*	*			trans	76	159.5	147.4	-69.9	165.4	0	0	0	120.1
503	P	44.8	Very low	43.1	Very low	93 Å²	93	142.5 Å²	142.5	60%	0.604	74%	0.74	S	S	*	*			trans	-137.5	-163.9	-140.8	45.5	-26.3	0	0	0	116.4
504	D	43.8	Very low	43.1	Very low	148 Å²	148	139 Å²	139	79%	0.791	73%	0.733	S	S	*	*			trans	65.6	150.8	165.7	-51.6	-28.7	0	0	0	116.4
505	D	40.8	Very low	43.1	Very low	147 Å²	147	138.9 Å²	138.9	79%	0.786	73%	0.729	S	S	*	*			cis	-157.4	161.2	22.2	-156.5	-13.7	0	0	0	113.3
506	S	45	Very low	42.9	Very low	93 Å²	93	139.8 Å²	139.8	65%	0.65	73%	0.727	S	S	*	*			trans	63.2	129.2	155.9	74.6	0	0	0	0	123.5
507	I	46.5	Very low	42.8	Very low	159 Å²	159	140.8 Å²	140.8	82%	0.815	72%	0.723	S	S	*	*				154.8	114.3	128.7	-78	160.8	0	0	0	111.3
508	P	41.8	Very low	43.1	Very low	104 Å²	104	141.7 Å²	141.7	68%	0.675	71%	0.714	S	S	*	*			trans	-112.8	-165.9	170.6	40.1	-31.1	0	0	0	113.7
509	H	45	Very low	43	Very low	155 Å²	155	143.1 Å²	143.1	72%	0.718	71%	0.708	S	S	*	*			trans	91.6	143.3	-174.5	-59.8	-86.8	0	0	0	115
510	H	44.3	Very low	43.1	Very low	151 Å²	151	139.8 Å²	139.8	70%	0.699	70%	0.702	S	S	*	*			cis	-153.7	-173.5	-1.1	-125.5	-30.8	0	0	0	114.1
511	H	43.5	Very low	43.1	Very low	148 Å²	148	142.8 Å²	142.8	69%	0.685	71%	0.707	S	S	*	*			trans	-76.6	-172	-178.5	-50.6	-79.4	0	0	0	114.3
512	H	43	Very low	43.2	Very low	146 Å²	146	142 Å²	142	68%	0.676	70%	0.703	S	S	*	*			cis	-165.5	154.8	11.6	-128	-29.5	0	0	0	113.8
513	H	41.1	Very low	43.1	Very low	137 Å²	137	142.9 Å²	142.9	63%	0.634	70%	0.703	S	S	*	*			trans	42.7	150	137.4	-90.1	-36	0	0	0	127.7
514	H	43.7	Very low	42.7	Very low	143 Å²	143	147.9 Å²	147.9	66%	0.662	71%	0.71	S	S	*	*			trans	75.5	157	144.6	-71	-20.9	0	0	0	119.5
515	Q	41.6	Very low	43	Very low	144 Å²	144	146.5 Å²	146.5	67%	0.673	71%	0.709	S	S	*	*			cis	-159.1	146.7	-11.4	-122.4	172.4	11.2	0	0	113.5
516	K	40.3	Very low	43	Very low	173 Å²	173	144.5 Å²	144.5	75%	0.752	70%	0.698	S	S	*	*			trans	50.3	162.5	135.5	-91.7	-174	174	-173.2	0	125.9
517	E	41.3	Very low	43.2	Very low	152 Å²	152	150.5 Å²	150.5	71%	0.71	71%	0.708	S	S	*	*			trans	80.5	151.7	158.4	-80.2	171.1	-136.7	0	0	118.8
518	Q	42	Very low	43	Very low	138 Å²	138	152.6 Å²	152.6	65%	0.645	71%	0.707	S	S	*	*			cis	-157.1	144.3	13.3	-137	171.4	66.5	0	0	113.8
519	Q	42.5	Very low	43.2	Very low	144 Å²	144	154 Å²	154	67%	0.673	71%	0.714	S	S	*	*			trans	59.2	165.5	152.4	-71.5	171.4	43.4	0	0	120.2
520	Q	42.9	Very low	43.2	Very low	158 Å²	158	150 Å²	150	74%	0.738	72%	0.715	S	S	*	*			cis	-149.5	-176.6	14	-141.7	160.6	65.7	0	0	113.7
521	Q	42.4	Very low	43.2	Very low	149 Å²	149	150 Å²	150	70%	0.696	72%	0.72	S	S	*	*			trans	-75.7	177.3	-167.2	-63.3	131.6	-46.3	0	0	115.4
522	H	43.9	Very low	43.2	Very low	145 Å²	145	150.3 Å²	150.3	67%	0.671	73%	0.726	S	S	*	*			cis	-167.1	156.8	44.4	-107.1	-75.5	0	0	0	117.1
523	H	45.4	Very low	43.2	Very low	173 Å²	173	148.7 Å²	148.7	80%	0.801	73%	0.729	S	S	*	*			trans	74.1	143.9	150.7	-76.5	-61.5	0	0	0	125.4
524	R	36.8	Very low	43.5	Very low	198 Å²	198	151.9 Å²	151.9	75%	0.747	74%	0.741	S	S	*	*			trans	-137.7	161.8	-178.7	-159.1	-158.8	175.2	162.8	-5.1	105.6	D526	R524-D526 IonicContact CZ-OD2 2.65Å; R524-D526 IonicContact NE-OD2 3.79Å; R524-D526 PolarHBondContact NE-OD2 2.8Å; R524-D526 IonicContact NH2-OD2 2.59Å; R524-D526 PolarHBondContact NH2-OD2 2.86Å
525	P	50	Low	43.3	Very low	119 Å²	119	149.8 Å²	149.8	77%	0.773	74%	0.742	S	S	*	*				-149	172.3	84.9	37.6	-18.4	0	0	0	115.3
526	D	41	Very low	43.5	Very low	106 Å²	106	154 Å²	154	57%	0.567	75%	0.754	S	S	*	*			trans	-106	169.9	174.1	-45.6	-74	0	0	0	112.5	R524	R524-D526 IonicContact CZ-OD2 2.65Å; R524-D526 IonicContact NE-OD2 3.79Å; R524-D526 PolarHBondContact NE-OD2 2.8Å; R524-D526 IonicContact NH2-OD2 2.59Å; R524-D526 PolarHBondContact NH2-OD2 2.86Å
527	Y	47.6	Very low	43.6	Very low	218 Å²	218	154.1 Å²	154.1	86%	0.855	76%	0.757	S	S	*	*			trans	-143.5	157.8	157.7	-105	-84.2	0	0	0	113
528	Y	43.9	Very low	43.7	Very low	204 Å²	204	154.5 Å²	154.5	80%	0.8	76%	0.763	S	S	*	*			trans	-66.9	174.5	-175.4	-65.9	-104.6	0	0	0	113.1
529	T	45.1	Very low	43.8	Very low	134 Å²	134	152.3 Å²	152.3	82%	0.822	76%	0.761	S	S	*	*			cis	-170.6	160.5	33.7	-30.6	0	0	0	0	110.7
530	G	45.5	Very low	43.7	Very low	71 Å²	71	152.3 Å²	152.3	73%	0.732	77%	0.766	S	S	*	*			trans	154.7	105.4	157.5	0	0	0	0	0	119.6
531	N	45	Very low	43.6	Very low	151 Å²	151	152 Å²	152	81%	0.807	76%	0.764	S	S	*	*			trans	-65.6	174.3	174.1	-39.2	-43.3	0	0	0	113.1
532	N	42.1	Very low	43.6	Very low	153 Å²	153	152.4 Å²	152.4	82%	0.818	77%	0.765	S	S	*	*			cis	-168.5	155.5	11.9	-145.3	-1.3	0	0	0	111.3
533	P	44	Very low	43.4	Very low	112 Å²	112	155.7 Å²	155.7	73%	0.727	77%	0.772	S	S	*	*			trans	-122.8	151.6	179.2	39.7	-28.4	0	0	0	117.7
534	K	47.6	Very low	43.3	Very low	205 Å²	205	155 Å²	155	89%	0.891	77%	0.772	S	S	*	*			trans	-151.6	130	157.3	-71.2	-174.6	178.6	176.7	0	107.2
535	S	38.5	Very low	43.1	Very low	98 Å²	98	152.5 Å²	152.5	69%	0.685	77%	0.774	S	S	*	*			cis	83.4	109.6	47	-171.1	0	0	0	0	114.5
536	Y	45.3	Very low	43	Very low	233 Å²	233	151.3 Å²	151.3	91%	0.914	77%	0.767	S	S	*	*			trans	-166	155.9	131	-105.6	-69.9	0	0	0	111.2
537	H	43.5	Very low	42.8	Very low	176 Å²	176	153.6 Å²	153.6	82%	0.815	78%	0.778	S	S	*	*			trans	-109.4	155.4	177.8	-83.1	-96.4	0	0	0	111.2
538	D	43.5	Very low	42.6	Very low	159 Å²	159	152.1 Å²	152.1	85%	0.85	78%	0.779	S	S	*	*				-164.4	139.3	127.2	-149.7	1.7	0	0	0	113.3
539	P	43.3	Very low	42.4	Very low	92 Å²	92	148.2 Å²	148.2	60%	0.597	77%	0.772	S	S	*	*			trans	-139.8	141.6	165.8	37.8	-22	0	0	0	115.2
540	N	39.9	Very low	42.4	Very low	145 Å²	145	149 Å²	149	78%	0.775	77%	0.766	S	S	*	*			trans	-170	166.4	152	-113.5	-53	0	0	0	117.9
541	H	42	Very low	42.4	Very low	151 Å²	151	151.6 Å²	151.6	70%	0.699	76%	0.763	S	S	*	*			trans	69.9	120.6	164.7	-65.9	-29.8	0	0	0	118.1
542	H	41.6	Very low	42.6	Very low	157 Å²	157	152.4 Å²	152.4	73%	0.727	77%	0.767	S	S	*	*				83.7	140.6	62.4	-80.6	4.5	0	0	0	113.4
543	R	39.1	Very low	42.5	Very low	214 Å²	214	151 Å²	151	81%	0.808	76%	0.76	S	S	*	*			cis	-172.1	173.5	-13.2	-168.6	-178.7	-179	-169.4	1	107.6
544	I	43.4	Very low	42.7	Very low	158 Å²	158	152.2 Å²	152.2	81%	0.81	77%	0.765	S	S	*	*			trans	95.9	142.8	160.6	-55.6	168.5	0	0	0	116.6
545	N	32.9	Very low	42.7	Very low	147 Å²	147	148.8 Å²	148.8	79%	0.786	76%	0.755	S	S	*	*			trans	-162.6	179.4	-175.6	-140.6	0.6	0	0	0	104.3
546	P	47.6	Very low	42.8	Very low	94 Å²	94	150.5 Å²	150.5	61%	0.61	76%	0.756	S	S	*	*			cis	-138.8	-157.8	-12.5	35.3	-11.2	0	0	0	113.2
547	L	38.5	Very low	42.8	Very low	153 Å²	153	146.3 Å²	146.3	80%	0.801	75%	0.749	S	S	*	*			trans	82.4	117.2	142	-125.6	79.9	0	0	0	121.8
548	E	41.4	Very low	42.7	Very low	188 Å²	188	142.3 Å²	142.3	88%	0.879	74%	0.74	S	S	*	*			trans	174.2	170.7	130.9	-95.5	-166.4	150.8	0	0	109.6
549	N	41.3	Very low	42.6	Very low	121 Å²	121	143.3 Å²	143.3	65%	0.647	74%	0.74	S	S	*	*				-153.6	172.1	-69.1	-150.9	-7.8	0	0	0	111.9
550	H	45.2	Very low	42.4	Very low	152 Å²	152	145.9 Å²	145.9	70%	0.704	75%	0.749	S	S	*	*			trans	69.9	103	160.4	-69.2	-61.8	0	0	0	124
551	N	44.6	Very low	42.4	Very low	125 Å²	125	144.8 Å²	144.8	67%	0.668	75%	0.747	S	S	*	*				14.3	145.7	126.1	-68.9	1.2	0	0	0	123
552	N	50.3	Low	42.2	Very low	168 Å²	168	144.2 Å²	144.2	90%	0.898	76%	0.755	S	S	*	*				-154.2	154.5	118.9	-102.4	-34.2	0	0	0	111.9
553	N	38.4	Very low	41.9	Very low	123 Å²	123	142.4 Å²	142.4	66%	0.658	76%	0.76	S	S	*	*			trans	-125.5	140.9	-166.5	-73	-13.1	0	0	0	114.9
554	T	48.7	Very low	41.8	Very low	137 Å²	137	141.1 Å²	141.1	84%	0.84	76%	0.763	S	S	*	*			trans	-155.7	130.6	150.3	3	0	0	0	0	107.5
555	I	47.9	Very low	41.6	Very low	134 Å²	134	145.2 Å²	145.2	69%	0.687	77%	0.768	S	S	*	*			cis	72.5	117.7	33.5	-54.1	176.1	0	0	0	109.8
556	D	41	Very low	41.6	Very low	133 Å²	133	149 Å²	149	71%	0.711	77%	0.773	S	S	*	*			cis	-157.5	179	14.3	-141.4	-24.2	0	0	0	114.5
557	I	44	Very low	41	Very low	146 Å²	146	150 Å²	150	75%	0.749	78%	0.777	S	S	*	*			trans	70.1	147.4	152.9	-69.7	157.9	0	0	0	119.2
558	S	41.7	Very low	40.8	Very low	91 Å²	91	148.5 Å²	148.5	64%	0.636	78%	0.776	S	S	*	*				-170	178.5	-60.8	54.5	0	0	0	0	110
559	E	41.8	Very low	40.5	Very low	180 Å²	180	145.6 Å²	145.6	84%	0.841	77%	0.767	S	S	*	*			trans	73.1	147	179.4	-59	-178.1	-167	0	0	116.3
560	D	39.5	Very low	40.1	Very low	147 Å²	147	146.5 Å²	146.5	79%	0.786	78%	0.781	S	S	*	*			cis	-171.5	158.6	-33.8	-124.6	-2.1	0	0	0	106.1
561	T	39.4	Very low	39.6	Very low	122 Å²	122	146.4 Å²	146.4	75%	0.748	78%	0.78	S	S	*	*			cis	-143.4	169.5	6.2	21.6	0	0	0	0	110.4
562	T	37.5	Very low	39.2	Very low	139 Å²	139	145.2 Å²	145.2	85%	0.853	79%	0.788	S	S	*	*			trans	-92.8	157.6	-173.2	57.9	0	0	0	0	115.8
563	S	37	Very low	38.5	Very low	119 Å²	119	144.6 Å²	144.6	83%	0.832	78%	0.78	S	S	*	*			trans	-167	82.6	153.1	-163	0	0	0	0	113.7
564	E	36.9	Very low	38.4	Very low	186 Å²	186	148.6 Å²	148.6	87%	0.869	79%	0.791	S	S	*	*			trans	-83.1	151.9	165.7	-66.6	-167.1	125.2	0	0	111.9
565	R	37.9	Very low	37.7	Very low	244 Å²	244	148.5 Å²	148.5	92%	0.921	79%	0.785	S	S	*	*			trans	-144.6	98.3	159.7	-87.7	-160.7	178.3	-150.9	-2	113.9
566	Y	33	Very low	37.2	Very low	228 Å²	228	149.4 Å²	149.4	89%	0.894	79%	0.79	S	S	*	*			trans	14.5	138.6	144.3	-111.5	-102.2	0	0	0	121.6
567	V	34.9	Very low	37	Very low	114 Å²	114	150.5 Å²	150.5	69%	0.691	80%	0.795	S	S	*	*			trans	-88.1	166.8	173.9	-168.1	0	0	0	0	110.6
568	P	35.5	Very low	36.6	Very low	121 Å²	121	151.8 Å²	151.8	79%	0.786	80%	0.798	S	S	*	*				-135.4	156.8	126.1	37.9	-28.8	0	0	0	114.9
569	N	33.9	Very low	36.4	Very low	127 Å²	127	154.1 Å²	154.1	68%	0.679	80%	0.803	S	S	*	*			trans	-67.8	154.7	-169.2	-65.1	-22.1	0	0	0	115.6
570	C	33.5	Very low	36.2	Very low	140 Å²	140	153.5 Å²	153.5	95%	0.946	81%	0.806	S	S	*	*			trans	-125.4	111.2	143.4	-78.5	0	0	0	0	108.9
571	H	34.7	Very low	36.2	Very low	150 Å²	150	153.1 Å²	153.1	69%	0.694	80%	0.802	S	S	*	*			trans	-78.9	140.3	173.2	-92.7	-94.9	0	0	0	111.3
572	A	36.8	Very low	36.2	Very low	101 Å²	101	155 Å²	155	84%	0.835	81%	0.808	S	S	*	*			trans	-144.8	114.6	156.9	0	0	0	0	0	108.8
573	H	34.9	Very low	36.2	Very low	155 Å²	155	155.2 Å²	155.2	72%	0.718	80%	0.803	S	S	*	*			trans	-75.8	138	-179.3	-85.6	-110.8	0	0	0	112.1
574	K	35.4	Very low	36.3	Very low	206 Å²	206	157.5 Å²	157.5	90%	0.896	80%	0.8	S	S	*	*			trans	-152.6	130.6	132.4	-145.6	168.6	-175.8	178.2	0	110.8
575	L	34.4	Very low	36.2	Very low	135 Å²	135	155.5 Å²	155.5	71%	0.707	80%	0.795	S	S	*	*			trans	-82.8	157.5	175.2	-64.4	78.5	0	0	0	110.2
576	I	37.9	Very low	36.2	Very low	154 Å²	154	152.5 Å²	152.5	79%	0.79	79%	0.791	S	S	*	*				174.9	145.2	120.7	-90.3	157.5	0	0	0	110.6
577	N	37.6	Very low	36.3	Very low	156 Å²	156	147.5 Å²	147.5	83%	0.834	79%	0.785	S	S	*	*			trans	65.5	118.6	173.9	-77	16.4	0	0	0	119.6
578	E	35.4	Very low	36.5	Very low	173 Å²	173	149.3 Å²	149.3	81%	0.808	79%	0.79	S	S	*	*			trans	-96.5	-169.4	162	-59.8	172.7	122.1	0	0	110.1
579	N	36.6	Very low	36.8	Very low	139 Å²	139	150.5 Å²	150.5	74%	0.743	79%	0.79	S	S	*	*			trans	69.7	89.7	164.9	-56.5	-20.8	0	0	0	117.4
580	N	36.9	Very low	37	Very low	168 Å²	168	150.7 Å²	150.7	90%	0.898	79%	0.791	S	S	*	*				-149.5	152.1	97.5	-107.8	-5.4	0	0	0	111.8
581	I	41.2	Very low	37.4	Very low	138 Å²	138	149.3 Å²	149.3	71%	0.708	78%	0.778	S	S	*	*			trans	-96.4	141.9	176.7	-66.2	162.2	0	0	0	107.6
582	D	38.5	Very low	37.4	Very low	163 Å²	163	148.3 Å²	148.3	87%	0.872	78%	0.782	S	S	*	*			trans	-164.8	148.1	130.9	-99	-28.2	0	0	0	111.5
583	I	38	Very low	37.5	Very low	143 Å²	143	153.7 Å²	153.7	73%	0.733	78%	0.783	S	S	*	*			trans	-120.8	126.6	-177	-62.6	170.6	0	0	0	107.8
584	H	38.4	Very low	37.4	Very low	167 Å²	167	152.8 Å²	152.8	77%	0.773	78%	0.783	S	S	*	*			trans	-151.4	126.3	149.3	-119.5	-78.9	0	0	0	111.2
585	N	35.5	Very low	37.7	Very low	144 Å²	144	149.2 Å²	149.2	77%	0.77	77%	0.774	S	S	*	*			trans	-82.4	144.4	149.7	-66.9	-39.8	0	0	0	107
586	E	36.8	Very low	37.8	Very low	180 Å²	180	148.7 Å²	148.7	84%	0.841	78%	0.777	S	S	*	*			trans	-168.7	167.3	131.2	-110.7	162.8	171	0	0	111.9
587	T	36	Very low	37.9	Very low	124 Å²	124	150.7 Å²	150.7	76%	0.761	78%	0.779	S	S	*	*			trans	-114.3	133.6	-178.3	47.1	0	0	0	0	110.4
588	D	37.8	Very low	37.9	Very low	151 Å²	151	148.1 Å²	148.1	81%	0.807	77%	0.774	S	S	*	*			trans	-155.1	153.4	148.2	-87.7	-39.4	0	0	0	107.6
589	L	42.2	Very low	38.1	Very low	147 Å²	147	148.3 Å²	148.3	77%	0.77	78%	0.779	S	S	*	*			cis	75	156.9	44.2	-104.2	86	0	0	0	115.3
590	D	38.3	Very low	38.4	Very low	131 Å²	131	149.6 Å²	149.6	70%	0.701	78%	0.78	S	S	*	*			trans	57.7	119	178	-66.4	6.1	0	0	0	117.3
591	T	42.1	Very low	38.4	Very low	111 Å²	111	148.8 Å²	148.8	68%	0.681	77%	0.771	S	S	*	*				84.1	115.1	53.6	68.9	0	0	0	0	114.8
592	T	35.6	Very low	38.4	Very low	128 Å²	128	147.8 Å²	147.8	79%	0.785	78%	0.775	S	S	*	*			trans	42.6	112.5	141.3	-45.1	0	0	0	0	118.9
593	Y	37.2	Very low	38.6	Very low	215 Å²	215	145.4 Å²	145.4	84%	0.843	76%	0.762	S	S	*	*			trans	-135.2	130.9	145.2	-114.5	-81.2	0	0	0	111.6
594	D	34.7	Very low	38.6	Very low	135 Å²	135	144.7 Å²	144.7	72%	0.722	76%	0.76	S	S	*	*			trans	-121.3	138.6	163.4	179.7	15.6	0	0	0	106.3
595	N	40.4	Very low	38.9	Very low	131 Å²	131	144.2 Å²	144.2	70%	0.701	76%	0.758	S	S	*	*			trans	-173.3	129	168.3	-109	-34.7	0	0	0	112.3
596	T	37.7	Very low	39.1	Very low	125 Å²	125	143.1 Å²	143.1	77%	0.767	75%	0.753	S	S	*	*			trans	-134.9	118.1	162	42.8	0	0	0	0	109.5
597	K	39.2	Very low	39.4	Very low	195 Å²	195	141.9 Å²	141.9	85%	0.848	75%	0.747	S	S	*	*			trans	-164.5	128.9	164.7	-116.6	162.9	-170.9	175.6	0	114.3
598	S	38.1	Very low	39.8	Very low	102 Å²	102	142.6 Å²	142.6	71%	0.713	74%	0.741	S	S	*	*			trans	35.4	114.8	144.7	58.1	0	0	0	0	120.1
599	L	39.9	Very low	40.1	Very low	177 Å²	177	141.9 Å²	141.9	93%	0.927	73%	0.732	S	S	*	*			trans	-106.4	144.9	145.7	-158.6	79.8	0	0	0	108.4
600	H	41.4	Very low	40.2	Very low	166 Å²	166	141.9 Å²	141.9	77%	0.769	73%	0.728	S	S	*	*			trans	-147.6	144.8	-177.4	-134.3	-90.7	0	0	0	111.9
601	Q	37.2	Very low	40.5	Very low	151 Å²	151	143.4 Å²	143.4	71%	0.706	73%	0.731	S	S	*	*			trans	71.6	113.3	147.6	-166.3	164.9	-4.5	0	0	122
602	C	41.6	Very low	40.6	Very low	117 Å²	117	145.3 Å²	145.3	79%	0.791	73%	0.732	S	S	*	*				-168.5	124.5	127	-89.8	0	0	0	0	105.6
603	D	41.9	Very low	41.2	Very low	113 Å²	113	145.6 Å²	145.6	60%	0.604	72%	0.724	S	S	*	*				68	128.3	71	-76.4	-61.1	0	0	0	113.9
604	N	39.8	Very low	41.5	Very low	128 Å²	128	142 Å²	142	68%	0.684	72%	0.715	S	S	*	*			cis	-166.6	172.6	-9.9	-150.5	-45.1	0	0	0	111.9
605	Q	42.9	Very low	42	Very low	157 Å²	157	142.1 Å²	142.1	73%	0.734	71%	0.71	S	S	*	*			trans	76	108.9	156.5	-61.4	-176.1	9.5	0	0	124.9
606	N	40.8	Very low	42.1	Very low	122 Å²	122	142.5 Å²	142.5	65%	0.652	71%	0.708	S	S	*	*				76.9	132.8	117.9	-64.2	-8.4	0	0	0	126.9
607	H	42.9	Very low	42.3	Very low	154 Å²	154	144.3 Å²	144.3	71%	0.713	71%	0.708	S	S	*	*			trans	70.1	146	146.2	-62	-32.3	0	0	0	120.2
608	H	44.2	Very low	42.5	Very low	139 Å²	139	141.6 Å²	141.6	64%	0.644	70%	0.698	S	S	*	*			cis	-162.5	162.5	-13.7	-128.4	-57.5	0	0	0	113
609	H	44.1	Very low	42.8	Very low	136 Å²	136	144.7 Å²	144.7	63%	0.63	70%	0.701	S	S	*	*			trans	79.7	126.6	153.7	-65.6	-57.6	0	0	0	123.7
610	H	45.2	Very low	42.7	Very low	146 Å²	146	140.9 Å²	140.9	68%	0.676	69%	0.689	S	S	*	*			trans	41.6	154	135.9	-52.2	-52.7	0	0	0	122.9
611	H	44.8	Very low	42.9	Very low	164 Å²	164	142.1 Å²	142.1	76%	0.759	70%	0.695	S	S	*	*			cis	-137.7	176.8	21.9	-114.1	-74.9	0	0	0	114.3
612	Q	44.1	Very low	43	Very low	151 Å²	151	142.8 Å²	142.8	71%	0.706	70%	0.698	S	S	*	*			trans	-102.2	163.5	-180	-59	165	-66.5	0	0	112.5
613	H	46.2	Very low	42.9	Very low	134 Å²	134	143.4 Å²	143.4	62%	0.62	69%	0.694	S	S	*	*				162.4	130.6	110.1	-82.8	-64.5	0	0	0	114.6
614	H	44.5	Very low	42.8	Very low	140 Å²	140	145 Å²	145	65%	0.648	70%	0.702	S	S	*	*			trans	54.9	157.7	138.5	-63.7	-44	0	0	0	122.8
615	H	46.2	Very low	42.8	Very low	136 Å²	136	145.1 Å²	145.1	63%	0.63	70%	0.702	S	S	*	*			cis	-153.4	158.6	2.8	-118.7	-43.8	0	0	0	111.9
616	Q	41.8	Very low	42.5	Very low	140 Å²	140	144.6 Å²	144.6	65%	0.654	70%	0.704	S	S	*	*			trans	55.9	127.4	151.2	-70.7	154	-29.8	0	0	119.5
617	Q	42.5	Very low	42.5	Very low	162 Å²	162	144.6 Å²	144.6	76%	0.757	71%	0.714	S	S	*	*				63.7	126.4	56.7	-60.4	-178.2	-42.6	0	0	112.7
618	H	43.4	Very low	42.1	Very low	138 Å²	138	144.8 Å²	144.8	64%	0.639	72%	0.719	S	S	*	*				-162.8	159.5	60.5	-98	-91.3	0	0	0	116.1
619	H	44.3	Very low	42	Very low	167 Å²	167	148.4 Å²	148.4	77%	0.773	73%	0.733	S	S	*	*			trans	64.3	134.6	150.3	-70	-56.8	0	0	0	124.3
620	S	37	Very low	41.7	Very low	98 Å²	98	148.6 Å²	148.6	69%	0.685	73%	0.734	S	S	*	*			trans	-90.8	163	166.2	52.2	0	0	0	0	112.5
621	H	46.3	Very low	41.4	Very low	192 Å²	192	151.1 Å²	151.1	89%	0.889	74%	0.739	S	S	*	*			trans	-150.6	160.6	133	-116.2	-79.6	0	0	0	111.1
622	Q	38.6	Very low	41.2	Very low	165 Å²	165	149 Å²	149	77%	0.771	74%	0.74	S	S	*	*			trans	-126.2	-179.1	-177.9	-154.7	173.8	-78.3	0	0	109.7
623	D	40	Very low	40.9	Very low	130 Å²	130	148.6 Å²	148.6	70%	0.695	74%	0.741	S	S	*	*			trans	90.9	92.7	162.4	-48.5	-28.8	0	0	0	118.1
624	D	39.4	Very low	40.7	Very low	146 Å²	146	150.1 Å²	150.1	78%	0.781	75%	0.754	S	S	*	*				78.4	145.8	114.5	-110.5	2.5	0	0	0	125.4
625	L	40.2	Very low	40.3	Very low	130 Å²	130	149.8 Å²	149.8	68%	0.681	76%	0.756	S	S	*	*			trans	67	117.9	150.4	-71.5	160.1	0	0	0	123
626	N	36.4	Very low	40.3	Very low	147 Å²	147	152.7 Å²	152.7	79%	0.786	77%	0.77	S	S	*	*			trans	61	113	139.9	-66	-18.9	0	0	0	121.5
627	S	40	Very low	40.1	Very low	122 Å²	122	150.6 Å²	150.6	85%	0.853	77%	0.77	S	S	*	*				-158.9	144.3	126.9	45.8	0	0	0	0	113.2
628	L	35.2	Very low	40.2	Very low	157 Å²	157	150.5 Å²	150.5	82%	0.822	78%	0.775	S	S	*	*			trans	-78.9	150.8	169.2	-78.7	70.2	0	0	0	110.4
629	K	40.9	Very low	40	Very low	216 Å²	216	152.2 Å²	152.2	94%	0.939	78%	0.781	S	S	*	*			trans	-155	152.6	140.3	-111.1	156.4	-170.9	174.8	0	111.8
630	Q	38.7	Very low	40	Very low	140 Å²	140	153 Å²	153	65%	0.654	79%	0.785	S	S	*	*			trans	-117.4	176.7	-169.3	-63.8	171.3	-68.2	0	0	111.6
631	Y	39.7	Very low	40.1	Very low	198 Å²	198	154.8 Å²	154.8	78%	0.776	79%	0.787	S	S	*	*			trans	79.2	158	158.9	-60.6	-69.1	0	0	0	118.7
632	P	40.3	Very low	39.8	Very low	119 Å²	119	151.7 Å²	151.7	77%	0.773	78%	0.781	S	S	*	*			cis	-126.6	174.1	-18.5	23.5	-1.2	0	0	0	114.8
633	I	36.7	Very low	39.8	Very low	144 Å²	144	149.5 Å²	149.5	74%	0.738	78%	0.781	S	S	*	*			trans	-77.6	152.1	172.6	-63.9	154	0	0	0	110.6	L635	I633-L635 HydrophobicContact CG2-CD1 3.76Å
634	N	42.3	Very low	39.5	Very low	166 Å²	166	153.1 Å²	153.1	89%	0.888	79%	0.786	S	S	*	*			trans	-145.4	147.4	142.1	-124.2	-27.1	0	0	0	112.8
635	L	36.3	Very low	39.2	Very low	132 Å²	132	155.1 Å²	155.1	69%	0.691	79%	0.793	S	S	*	*			trans	-98.4	151.6	-175.8	-103.1	68.6	0	0	0	111.5	I633	I633-L635 HydrophobicContact CG2-CD1 3.76Å
636	H	45.4	Very low	38.8	Very low	198 Å²	198	157 Å²	157	92%	0.917	80%	0.796	S	S	*	*				-149.1	153	129.5	-121.9	-83.7	0	0	0	111.1
637	S	37.7	Very low	38.6	Very low	95 Å²	95	155.8 Å²	155.8	66%	0.664	80%	0.796	S	S	*	*			trans	-118.7	155.7	-169.2	61.9	0	0	0	0	113.2
638	N	45.6	Very low	38.1	Very low	161 Å²	161	156.4 Å²	156.4	86%	0.861	79%	0.788	S	S	*	*			trans	-144.6	159.3	140.2	-150	-12.2	0	0	0	110.5
639	K	38.7	Very low	37.9	Very low	174 Å²	174	154.7 Å²	154.7	76%	0.757	79%	0.788	S	S	*	*			trans	-113.5	148.5	-168.8	-62.9	169.8	176.6	172.7	0	111.8
640	Q	44.2	Very low	37.2	Very low	183 Å²	183	152 Å²	152	86%	0.855	78%	0.784	S	S	*	*			trans	-163.2	107.8	133.4	-109.3	164.6	24.3	0	0	113.2
641	N	40.3	Very low	36.9	Very low	136 Å²	136	151.8 Å²	151.8	73%	0.727	79%	0.787	S	S	*	*			trans	42.7	109.3	134.4	-60	-1.6	0	0	0	119.6
642	V	39.9	Very low	36.5	Very low	126 Å²	126	150.6 Å²	150.6	76%	0.764	79%	0.788	S	S	*	*				92.5	143.6	81.3	155.9	0	0	0	0	112.2
643	P	38.7	Very low	36	Very low	119 Å²	119	152.3 Å²	152.3	77%	0.773	79%	0.79	S	S	*	*			cis	-115.5	169.1	11.2	19.9	2.9	0	0	0	116.5
644	Y	32	Very low	35.6	Very low	206 Å²	206	149 Å²	149	81%	0.808	78%	0.78	S	S	*	*			trans	-85.2	155.9	176.1	-85.9	-120.1	0	0	0	113.3
645	M	33.6	Very low	35.2	Very low	188 Å²	188	148.1 Å²	148.1	93%	0.926	77%	0.774	S	S	*	*			trans	-126.6	137.5	137.1	-145.9	174.6	-170.7	0	0	108.8
646	K	33.3	Very low	34.9	Very low	170 Å²	170	146.8 Å²	146.8	74%	0.739	77%	0.773	S	S	*	*			trans	-80.6	137.6	-165.1	-74	179.3	174.7	178.3	0	113.6
647	P	30.7	Very low	34.1	Very low	122 Å²	122	144.9 Å²	144.9	79%	0.792	77%	0.77	S	S	*	*			trans	-99.9	91	159.7	34.9	-26.3	0	0	0	110.6
648	I	30.1	Very low	33.6	Very low	135 Å²	135	144.8 Å²	144.8	69%	0.692	77%	0.769	S	S	*	*			trans	-143.2	113.2	170.2	-54.2	178.2	0	0	0	110
649	C	30.4	Very low	32.8	Very low	121 Å²	121	144.7 Å²	144.7	82%	0.818	77%	0.768	S	S	*	*			trans	-165.8	114.5	141.6	-113.4	0	0	0	0	108.7
650	N	27.2	Very low	32.3	Very low	158 Å²	158	146.6 Å²	146.6	85%	0.845	78%	0.776	S	S	*	*			trans	-70	138.8	164.7	-71.2	-18.8	0	0	0	108.3
651	L	32.3	Very low	31.5	Very low	137 Å²	137	143.2 Å²	143.2	72%	0.717	77%	0.772	S	S	*	*			trans	-140.5	47.4	168.8	-146.6	79.4	0	0	0	112.5	S654	L651-S654 WeakPolarHBondContact CD1-OG 3.07Å
652	H	30.8	Very low	30.9	Very low	172 Å²	172	142.3 Å²	142.3	80%	0.796	78%	0.776	S	S	*	*	S	Bend	trans	-65.7	154.1	135.5	-93.9	-106.6	0	0	0	108.2
653	D	28.9	Very low	30.3	Very low	155 Å²	155	143.2 Å²	143.2	83%	0.829	78%	0.776	S	S	*	*	S	Bend	trans	64.8	61.9	171.7	-49.2	-25.3	0	0	0	116.5
654	S	29.2	Very low	30	Very low	75 Å²	75	144.3 Å²	144.3	52%	0.524	78%	0.776	S	S	.	*			trans	-165.3	86	148.4	26.1	0	0	0	0	112.8	L651 P656	L651-S654 WeakPolarHBondContact CD1-OG 3.07Å; S654-P656 WeakPolarHBondContact O-CD 3.42Å
655	I	33	Very low	29.9	Very low	148 Å²	148	144 Å²	144	76%	0.759	78%	0.779	S	S	*	*			trans	-97.6	109.6	167.6	-60.1	174.7	0	0	0	108.9	N657	I655-N657 WeakPolarHBondContact CG2-OD1 3.11Å; I655-N657 PolarHBondContact O-N 3.45Å
656	P	31	Very low	29.7	Very low	104 Å²	104	142 Å²	142	68%	0.675	77%	0.771	S	S	*	*			trans	-80.4	100.4	168.3	30.4	-29.3	0	0	0	109.8	S654 S658	S654-P656 WeakPolarHBondContact O-CD 3.42Å; P656-S658 PolarHBondContact O-N 2.64Å
657	N	28.6	Very low	29.7	Very low	158 Å²	158	138.6 Å²	138.6	85%	0.845	77%	0.768	S	S	*	*			trans	-70.1	70.1	173	-76.3	-28.1	0	0	0	111.3	I655	I655-N657 WeakPolarHBondContact CG2-OD1 3.11Å; I655-N657 PolarHBondContact O-N 3.45Å
658	S	28.2	Very low	29.7	Very low	93 Å²	93	140.9 Å²	140.9	65%	0.65	77%	0.773	S	S	*	*			trans	-152.5	40.3	-169.7	69	0	0	0	0	116.1	P656	P656-S658 PolarHBondContact O-N 2.64Å
659	L	27.7	Very low	29.8	Very low	158 Å²	158	141.2 Å²	141.2	83%	0.827	77%	0.771	S	S	*	*	S	Bend	trans	-133.1	11	178	-93.9	177.4	0	0	0	117.4
660	F	28.1	Very low	29.8	Very low	214 Å²	214	143.6 Å²	143.6	94%	0.939	76%	0.764	S	S	*	*	S	Bend	trans	-137.6	71.4	170.4	-83	-76.4	0	0	0	112.3
661	C	26.7	Very low	30	Very low	113 Å²	113	147 Å²	147	76%	0.764	77%	0.766	S	S	*	*			trans	-159.5	53.3	167.1	-140.3	0	0	0	0	113	N663	C661-N663 VanDerWaalsContact C-N 3.33Å; C661-N663 PolarHBondContact O-N 2.8Å
662	S	28.3	Very low	29.8	Very low	116 Å²	116	146.5 Å²	146.5	81%	0.811	77%	0.765	S	S	*	*			trans	-72.3	87.1	170.3	45	0	0	0	0	110.4	N664	S662-N664 PolarHBondContact O-N 3.3Å
663	N	28.2	Very low	30.1	Very low	145 Å²	145	146.5 Å²	146.5	78%	0.775	77%	0.765	S	S	*	*			trans	-59	99.1	170	-92.5	-36.1	0	0	0	109.9	C661 K665	C661-N663 VanDerWaalsContact C-N 3.33Å; C661-N663 PolarHBondContact O-N 2.8Å; N663-K665 PolarHBondContact O-N 2.87Å
664	N	30.9	Very low	30.3	Very low	143 Å²	143	144.8 Å²	144.8	77%	0.765	77%	0.765	S	S	*	*			trans	-75	71.9	179	-124.1	9.8	0	0	0	110.3	S662 L666	S662-N664 PolarHBondContact O-N 3.3Å; N664-L666 PolarHBondContact O-N 2.9Å
665	K	30.3	Very low	30.5	Very low	198 Å²	198	150.8 Å²	150.8	86%	0.861	78%	0.781	S	S	*	*			trans	-66.1	83.7	157.5	-88.5	-171.1	170.9	-176.9	0	107.5	N663 S667	N663-K665 PolarHBondContact O-N 2.87Å; K665-S667 PolarHBondContact O-N 3.25Å
666	L	31	Very low	30.4	Very low	148 Å²	148	148.9 Å²	148.9	78%	0.775	78%	0.779	S	S	*	*			trans	-62.9	101.4	172.1	-115.3	163.8	0	0	0	108.1	N664 I668	N664-L666 PolarHBondContact O-N 2.9Å; L666-I668 PolarHBondContact O-N 3.41Å
667	S	33	Very low	30.5	Very low	97 Å²	97	151.5 Å²	151.5	68%	0.678	79%	0.787	S	S	*	*			trans	-70.5	111.9	-177.4	50.4	0	0	0	0	110.1	K665 Q669	K665-S667 PolarHBondContact O-N 3.25Å; S667-Q669 PolarHBondContact O-N 3.07Å
668	I	29.4	Very low	30.8	Very low	171 Å²	171	148.9 Å²	148.9	88%	0.877	78%	0.781	S	S	*	*			trans	-63.1	105.9	169.7	-58.8	167.9	0	0	0	108	L666	L666-I668 PolarHBondContact O-N 3.41Å
669	Q	32.2	Very low	31	Very low	142 Å²	142	151.3 Å²	151.3	66%	0.664	79%	0.786	S	S	*	*			trans	-152	130.6	170.6	-114.5	179.4	4	0	0	113	S667	S667-Q669 PolarHBondContact O-N 3.07Å
670	Y	30.4	Very low	31.1	Very low	171 Å²	171	150 Å²	150	67%	0.671	78%	0.78	S	S	*	*			trans	61.3	94.5	165.6	-56.2	-66.9	0	0	0	119.8
671	Y	31.8	Very low	31.4	Very low	228 Å²	228	146.5 Å²	146.5	89%	0.894	77%	0.771	S	S	*	*				-132.6	116.9	114.6	-119	-87.4	0	0	0	109.3
672	N	28.6	Very low	31.7	Very low	127 Å²	127	148.3 Å²	148.3	68%	0.679	77%	0.773	S	S	*	*			trans	-121.4	108.7	-174.7	-107.3	-8.2	0	0	0	109.6
673	H	35.8	Very low	31.8	Very low	173 Å²	173	152.7 Å²	152.7	80%	0.801	77%	0.773	S	S	*	*			trans	-155.9	112	162.8	-89.5	-64.3	0	0	0	112.3
674	S	33.8	Very low	32	Very low	119 Å²	119	152.5 Å²	152.5	83%	0.832	77%	0.767	S	S	*	*			trans	59.2	142.2	171.6	58.5	0	0	0	0	117.5
675	K	33.1	Very low	32.2	Very low	200 Å²	200	154.1 Å²	154.1	87%	0.87	77%	0.77	S	S	*	*			cis	-147.7	150.6	4.1	-121.9	171.4	-177.4	177.7	0	108.1
676	P	30.6	Very low	32.3	Very low	108 Å²	108	147.6 Å²	147.6	70%	0.701	76%	0.758	S	S	*	*			trans	-88.4	179.6	-179.9	36.7	-36.5	0	0	0	113.8
677	N	34.3	Very low	32.4	Very low	159 Å²	159	147.8 Å²	147.8	85%	0.85	76%	0.76	S	S	*	*			trans	90.9	133.9	179.7	-54.2	-14.1	0	0	0	114
678	S	35	Very low	32.5	Very low	103 Å²	103	151 Å²	151	72%	0.72	77%	0.77	S	S	*	*			cis	-157.7	143.9	2.6	52.7	0	0	0	0	114.9
679	L	31.4	Very low	32.6	Very low	145 Å²	145	149 Å²	149	76%	0.759	77%	0.77	S	S	*	*			trans	56.8	121.1	141.6	-68.8	163.9	0	0	0	122
680	N	29.7	Very low	32.9	Very low	129 Å²	129	151.2 Å²	151.2	69%	0.69	78%	0.78	S	S	*	*			trans	49.8	128.5	131.3	-57.5	8.4	0	0	0	119.6
681	N	34.8	Very low	33.2	Very low	141 Å²	141	148.9 Å²	148.9	75%	0.754	79%	0.786	S	S	*	*				-169.6	159.5	67.9	-113.4	-33.2	0	0	0	116
682	L	32.7	Very low	33.4	Very low	152 Å²	152	145.6 Å²	145.6	80%	0.796	78%	0.782	S	S	*	*			trans	70.2	125.5	149.1	-81.5	157.1	0	0	0	123.1
683	Y	30.1	Very low	33.8	Very low	207 Å²	207	146.3 Å²	146.3	81%	0.812	78%	0.781	S	S	*	*			trans	-66.2	178.4	155.9	-75.8	-128.2	0	0	0	110.2
684	H	33.6	Very low	34.1	Very low	142 Å²	142	146.6 Å²	146.6	66%	0.657	78%	0.78	S	S	*	*			cis	-169.6	161.6	35	-145	-77.9	0	0	0	112.3
685	H	34.2	Very low	34.5	Very low	177 Å²	177	146.4 Å²	146.4	82%	0.819	77%	0.77	S	S	*	*			trans	62.5	155.9	171	-75.6	-61.7	0	0	0	117.6
686	G	33.1	Very low	34.9	Very low	61 Å²	61	140.8 Å²	140.8	63%	0.629	75%	0.752	S	S	*	*			cis	-153.8	179.6	1.1	0	0	0	0	0	112.5
687	N	32.5	Very low	35.4	Very low	152 Å²	152	140.8 Å²	140.8	81%	0.813	75%	0.745	S	S	*	*			trans	-73.1	150.3	-175.6	-55.5	-20.3	0	0	0	112.2
688	D	35.5	Very low	35.5	Very low	163 Å²	163	139.7 Å²	139.7	87%	0.872	73%	0.733	S	S	*	*				-167.4	149.9	110.3	-91.4	-24.5	0	0	0	111
689	C	31.9	Very low	35.8	Very low	130 Å²	130	138.2 Å²	138.2	88%	0.878	72%	0.722	S	S	*	*			trans	-132.9	111.2	-176	-72.3	0	0	0	0	111.1
690	E	38.8	Very low	36.1	Very low	189 Å²	189	136.5 Å²	136.5	88%	0.883	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-91.8	145.4	166.7	-73.7	-158.2	127.9	0	0	112.2
691	P	35.6	Very low	36.5	Very low	121 Å²	121	135.9 Å²	135.9	79%	0.786	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-83.3	120	179.4	32.4	-32.8	0	0	0	111.8	Q693	P691-Q693 PolarHBondContact O-N 3.15Å
692	I	36.9	Very low	36.7	Very low	159 Å²	159	134.8 Å²	134.8	82%	0.815	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-62.7	129.2	176.5	-65.3	176.4	0	0	0	110.7
693	Q	37.3	Very low	36.9	Very low	142 Å²	142	135.7 Å²	135.7	66%	0.664	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-67.9	141.3	-171.4	-155.3	168.1	15	0	0	112.3	P691 D695	P691-Q693 PolarHBondContact O-N 3.15Å; Q693-D695 PolarHBondContact O-N 3.3Å; Q693-D695 VanDerWaalsContact O-N 3.17Å
694	K	42.1	Very low	37.2	Very low	180 Å²	180	136.4 Å²	136.4	78%	0.783	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-19.7	-165.8	-140	172.9	-171.6	175.6	0	114.2
695	D	41.6	Very low	37.2	Very low	114 Å²	114	133.9 Å²	133.9	61%	0.61	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-24.8	-170.6	-54.2	-68.9	0	0	0	113.4	Q693 I697 K698	Q693-D695 PolarHBondContact O-N 3.3Å; Q693-D695 VanDerWaalsContact O-N 3.17Å; D695-I697 PolarHBondContact O-N 3.05Å; D695-I697 VanDerWaalsContact O-N 3.15Å; D695-K698 PolarHBondContact O-N 3.24Å; D695-K698 VanDerWaalsContact O-N 3.07Å
696	T	42.2	Very low	36.9	Very low	83 Å²	83	135.1 Å²	135.1	51%	0.509	70%	0.698	S	S	.	*	H	α-helix	trans	-62.5	-22.2	176.9	-39.3	0	0	0	0	112.8	K698 S699 I700	T696-K698 VanDerWaalsContact C-N 3.34Å; T696-S699 PolarHBondContact O-OG 2.95Å; T696-I700 WeakPolarHBondContact O-CD1 3.26Å
697	I	40.7	Very low	37	Very low	108 Å²	108	142.9 Å²	142.9	55%	0.554	73%	0.732	S	S	*	*	H	α-helix	trans	-75.6	-24.8	178.7	-65.3	164.1	0	0	0	111.4	D695 I700 L701	D695-I697 PolarHBondContact O-N 3.05Å; D695-I697 VanDerWaalsContact O-N 3.15Å; I697-I700 PolarHBondContact O-N 3.31Å; I697-L701 HydrophobicContact CG2-CD1 3.97Å; I697-L701 WeakPolarHBondContact O-CD1 3.47Å; I697-L701 PolarHBondContact O-N 3.28Å
698	K	37	Very low	37.2	Very low	136 Å²	136	142.5 Å²	142.5	59%	0.591	73%	0.728	S	S	*	*	H	α-helix	trans	-73.2	-44.1	-171.3	-159.4	-176.3	-177.8	-152.2	0	113	D695 T696 I700 L701 E702	D695-K698 PolarHBondContact O-N 3.24Å; D695-K698 VanDerWaalsContact O-N 3.07Å; T696-K698 VanDerWaalsContact C-N 3.34Å; K698-I700 PolarHBondContact O-N 3.2Å; K698-L701 PolarHBondContact O-N 3.17Å; K698-L701 VanDerWaalsContact O-N 3.17Å; K698-E702 WeakPolarHBondContact CE-OE1 3.46Å; K698-E702 IonicContact NZ-OE1 3.47Å; K698-E702 PolarHBondContact NZ-OE1 3.38Å; K698-E702 PolarHBondContact O-N 2.81Å; K698-E702 VanDerWaalsContact O-N 3.13Å
699	S	40.2	Very low	37.3	Very low	71 Å²	71	141.4 Å²	141.4	50%	0.497	72%	0.721	S	S	.	*	H	α-helix	trans	-63.2	-27	176.2	54	0	0	0	0	113.1	T696 H703	T696-S699 PolarHBondContact O-OG 2.95Å; S699-H703 PolarHBondContact O-N 3.04Å
700	I	38.6	Very low	37.6	Very low	110 Å²	110	142 Å²	142	56%	0.564	71%	0.712	S	S	*	*	H	α-helix	trans	-75.6	-26.2	178.4	-61.5	174.3	0	0	0	111.9	T696 I697 K698	T696-I700 WeakPolarHBondContact O-CD1 3.26Å; I697-I700 PolarHBondContact O-N 3.31Å; K698-I700 PolarHBondContact O-N 3.2Å
701	L	37.4	Very low	37.5	Very low	116 Å²	116	139.2 Å²	139.2	61%	0.607	70%	0.702	S	S	*	*	H	α-helix	trans	-84.3	-39.4	172.5	-88	82.9	0	0	0	112.7	I697 K698 H703 R704	I697-L701 HydrophobicContact CG2-CD1 3.97Å; I697-L701 WeakPolarHBondContact O-CD1 3.47Å; I697-L701 PolarHBondContact O-N 3.28Å; K698-L701 PolarHBondContact O-N 3.17Å; K698-L701 VanDerWaalsContact O-N 3.17Å; L701-H703 PolarHBondContact O-N 3.48Å; L701-R704 PolarHBondContact O-N 3.3Å; L701-R704 VanDerWaalsContact O-N 3.11Å
702	E	38.9	Very low	37.6	Very low	118 Å²	118	140.4 Å²	140.4	55%	0.551	70%	0.697	S	S	*	*	H	α-helix	trans	-66.5	-20.8	-178.6	-72.4	173.3	-176.1	0	0	112.6	K698 R704 S705	K698-E702 WeakPolarHBondContact CE-OE1 3.46Å; K698-E702 IonicContact NZ-OE1 3.47Å; K698-E702 PolarHBondContact NZ-OE1 3.38Å; K698-E702 PolarHBondContact O-N 2.81Å; K698-E702 VanDerWaalsContact O-N 3.13Å; E702-R704 VanDerWaalsContact C-N 3.29Å; E702-R704 PolarHBondContact O-N 3.34Å; E702-S705 PolarHBondContact O-OG 2.95Å; E702-S705 VanDerWaalsContact O-OG 3.12Å
703	H	37.1	Very low	37.7	Very low	171 Å²	171	139.1 Å²	139.1	79%	0.792	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	3.6	173.6	-123.8	-55	0	0	0	115.4	S699 L701	S699-H703 PolarHBondContact O-N 3.04Å; L701-H703 PolarHBondContact O-N 3.48Å
704	R	36.6	Very low	37.7	Very low	222 Å²	222	138.9 Å²	138.9	84%	0.838	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	8.4	179	-73.4	-171.9	170.8	-161.3	-2.2	114.9	L701 E702	L701-R704 PolarHBondContact O-N 3.3Å; L701-R704 VanDerWaalsContact O-N 3.11Å; E702-R704 VanDerWaalsContact C-N 3.29Å; E702-R704 PolarHBondContact O-N 3.34Å
705	S	33.5	Very low	37.4	Very low	88 Å²	88	135.8 Å²	135.8	62%	0.615	68%	0.684	S	S	*	*	S	Bend	trans	-108.8	6.4	-176.8	56.7	0	0	0	0	114.8	E702	E702-S705 PolarHBondContact O-OG 2.95Å; E702-S705 VanDerWaalsContact O-OG 3.12Å
706	Y	27.5	Very low	37	Very low	204 Å²	204	137.6 Å²	137.6	80%	0.8	69%	0.69	S	S	*	*			trans	-130.2	141.2	173.3	-81.3	-94.9	0	0	0	110
707	V	34.6	Very low	36.5	Very low	224 Å²	224	142.5 Å²	142.5	100%	1.358	71%	0.706	S	S	*	*			trans	82.3	0	-163	-173.4	0	0	0	0	113.1

Retrieved 707 of 707 residues in 110.9 ms (Link to these results)

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