A0A3Q0KM67_SCHMA Loading...

Tetratricopeptide repeat protein 39B

AlphaFold DB , UniProt , Accession A0A3Q0KM67, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 743 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	26.1	Very low	26.6	Very low	247 Å²	247	182.8 Å²	182.8	100%	1.217	88%	0.882	S	S	*	*				0	59.4	0	-75.4	177.7	162	0	0	109
2	S	26.7	Very low	26.6	Very low	109 Å²	109	181.3 Å²	181.3	76%	0.762	88%	0.881	S	S	*	*			trans	-130	25.9	-161.1	52.9	0	0	0	0	113.5
3	N	27.2	Very low	26.8	Very low	162 Å²	162	182.3 Å²	182.3	87%	0.866	88%	0.883	S	S	*	*	S	Bend	trans	-144.9	27.2	-177.9	-94.6	-16.2	0	0	0	115
4	E	28.6	Very low	27	Very low	188 Å²	188	177.4 Å²	177.4	88%	0.879	88%	0.877	S	S	*	*	S	Bend	trans	-114.5	10.7	179.2	-96.5	-179.3	171.4	0	0	115.9
5	Y	29.5	Very low	27	Very low	231 Å²	231	180 Å²	180	91%	0.906	88%	0.881	S	S	*	*	S	Bend	trans	-119.4	37.8	-179.2	-95.8	-81.8	0	0	0	115.1
6	L	26.9	Very low	27.2	Very low	181 Å²	181	175.9 Å²	175.9	95%	0.948	88%	0.876	S	S	*	*			trans	-133	53.4	165.4	-71.5	172.7	0	0	0	110.5
7	G	25.3	Very low	27.3	Very low	60 Å²	60	169.8 Å²	169.8	62%	0.619	87%	0.869	S	S	*	*			trans	-89.7	115.5	177.9	0	0	0	0	0	113.3
8	Q	25.1	Very low	27.3	Very low	182 Å²	182	168.9 Å²	168.9	85%	0.85	87%	0.866	S	S	*	*			trans	50.9	87	151.8	-71.3	178.7	-18.2	0	0	119.2
9	W	25.5	Very low	27.4	Very low	244 Å²	244	168.3 Å²	168.3	92%	0.924	86%	0.863	S	S	*	*			trans	-129.1	25.4	162.5	-81.3	83	0	0	0	114.1
10	Y	26.1	Very low	27.4	Very low	234 Å²	234	166.7 Å²	166.7	92%	0.918	86%	0.856	S	S	*	*			trans	-130.6	66.4	174.3	-87.6	-82	0	0	0	111.5
11	E	25.7	Very low	27.6	Very low	173 Å²	173	166.3 Å²	166.3	81%	0.808	86%	0.856	S	S	*	*			trans	-161.5	92.2	163.4	-116	168.6	-159.6	0	0	109.5
12	N	26.5	Very low	27.7	Very low	164 Å²	164	159 Å²	159	88%	0.877	83%	0.829	S	S	*	*			trans	163.2	73.3	146	-83.8	-27.9	0	0	0	109.8
13	Q	29.2	Very low	27.7	Very low	195 Å²	195	160.9 Å²	160.9	91%	0.911	83%	0.83	S	S	*	*			trans	-109.9	101.8	148.1	-73.8	-153.9	-4.1	0	0	107.8	K15	Q13-K15 PolarHBondContact O-N 3.38Å
14	S	29.5	Very low	27.7	Very low	113 Å²	113	161.5 Å²	161.5	79%	0.79	83%	0.83	S	S	*	*			trans	-55.1	117.5	172.7	46.3	0	0	0	0	110.1	S16	S14-S16 PolarHBondContact O-N 2.84Å; S14-S16 VanDerWaalsContact O-N 3.17Å
15	K	27.3	Very low	27.9	Very low	217 Å²	217	160 Å²	160	94%	0.943	83%	0.828	S	S	*	*			trans	-55.2	111	170.4	-68.5	175.1	175.5	177.4	0	110.3	Q13	Q13-K15 PolarHBondContact O-N 3.38Å
16	S	30.3	Very low	28	Very low	114 Å²	114	155.9 Å²	155.9	80%	0.797	82%	0.822	S	S	*	*			trans	-114	106.3	165.5	61.1	0	0	0	0	110.6	S14	S14-S16 PolarHBondContact O-N 2.84Å; S14-S16 VanDerWaalsContact O-N 3.17Å
17	G	29.5	Very low	28.2	Very low	73 Å²	73	154.8 Å²	154.8	75%	0.753	82%	0.817	S	S	*	*			trans	65.6	99.9	139.5	0	0	0	0	0	119.6
18	N	25.8	Very low	28.6	Very low	154 Å²	154	157.8 Å²	157.8	82%	0.824	82%	0.819	S	S	*	*			trans	-48.1	129.6	155.1	-84.9	-8.2	0	0	0	111.9
19	I	30	Very low	29.1	Very low	156 Å²	156	153.6 Å²	153.6	80%	0.8	81%	0.806	S	S	*	*			trans	-130.9	111.2	147.9	-63.7	-179.1	0	0	0	106.9
20	D	28.2	Very low	29.7	Very low	137 Å²	137	148.6 Å²	148.6	73%	0.733	80%	0.797	S	S	*	*			trans	-59.6	127.7	171.7	-73.4	-46.4	0	0	0	110.7
21	N	31.7	Very low	30.3	Very low	159 Å²	159	142.9 Å²	142.9	85%	0.85	78%	0.782	S	S	*	*			trans	-138	89.9	154.9	-89.5	-34.4	0	0	0	107.5
22	S	27	Very low	31	Very low	93 Å²	93	139 Å²	139	65%	0.65	77%	0.768	S	S	*	*			trans	-74.6	145.9	166.8	52	0	0	0	0	110.6
23	D	27.6	Very low	31.7	Very low	148 Å²	148	136.6 Å²	136.6	79%	0.791	75%	0.754	S	S	*	*			trans	79.8	96.2	157	-52.9	-29.2	0	0	0	118.5
24	M	27.1	Very low	32.5	Very low	175 Å²	175	131.4 Å²	131.4	86%	0.862	74%	0.736	S	S	*	*				150.8	97.3	121.8	-83	-76.2	-165.2	0	0	111.8
25	N	31.7	Very low	33.7	Very low	156 Å²	156	130.7 Å²	130.7	83%	0.834	72%	0.723	S	S	*	*				163.8	85.9	128.8	-94.6	-26	0	0	0	110.6	N27	N25-N27 PolarHBondContact O-N 3.46Å
26	N	31.9	Very low	35.2	Very low	146 Å²	146	125.5 Å²	125.5	78%	0.781	71%	0.706	S	S	*	*			trans	-67.9	101.9	158.5	-93.6	-21.6	0	0	0	108.3
27	N	31.1	Very low	36.9	Very low	157 Å²	157	123.4 Å²	123.4	84%	0.84	69%	0.686	S	S	*	*			trans	-172.1	23.2	149.5	-95.7	-12.3	0	0	0	115.4	N25	N25-N27 PolarHBondContact O-N 3.46Å
28	N	33.8	Very low	39.1	Very low	124 Å²	124	122 Å²	122	66%	0.663	66%	0.663	S	S	*	*			trans	-124.5	13.7	178.5	-107.1	-1.1	0	0	0	116	N30	N28-N30 VanDerWaalsContact C-N 3.3Å; N28-N30 PolarHBondContact O-N 3.4Å
29	T	35	Very low	41.7	Very low	94 Å²	94	116.2 Å²	116.2	58%	0.577	63%	0.634	S	S	*	*	H	α-helix	trans	-72.3	-9.3	-172.5	26.4	0	0	0	0	116.1
30	N	38	Very low	44.4	Very low	138 Å²	138	115.4 Å²	115.4	74%	0.738	63%	0.627	S	S	*	*	H	α-helix	trans	-89.8	-18.7	178.9	-85.5	1.5	0	0	0	115.2	N28	N28-N30 VanDerWaalsContact C-N 3.3Å; N28-N30 PolarHBondContact O-N 3.4Å
31	N	39.1	Very low	47.3	Very low	114 Å²	114	114.1 Å²	114.1	61%	0.61	62%	0.615	S	S	*	*	H	α-helix	trans	-89.5	-27	177.3	-92.1	-1.3	0	0	0	113.3	N35	N31-N35 PolarHBondContact O-N 2.97Å
32	N	41.1	Very low	50.1	Low	93 Å²	93	107.1 Å²	107.1	50%	0.497	58%	0.577	S	S	.	*	H	α-helix	trans	-68.9	-41.7	-178.8	-70.6	-0.7	0	0	0	111.7	V34 N35 D36	N32-V34 VanDerWaalsContact C-N 3.3Å; N32-V34 PolarHBondContact O-N 3.29Å; N32-N35 PolarHBondContact O-N 3.09Å; N32-D36 PolarHBondContact O-N 3.21Å
33	N	40.2	Very low	53.3	Low	112 Å²	112	104.6 Å²	104.6	60%	0.599	56%	0.556	S	S	*	*	H	α-helix	trans	-62.6	-33.2	-178.9	-71.3	-1.3	0	0	0	113.6	D37	N33-D37 PolarHBondContact O-N 2.98Å
34	V	47.8	Very low	56.3	Low	87 Å²	87	102.6 Å²	102.6	53%	0.527	54%	0.542	S	S	.	.	H	α-helix	trans	-74.8	-38.6	179.2	-179.1	0	0	0	0	111.1	N32 T38	N32-V34 VanDerWaalsContact C-N 3.3Å; N32-V34 PolarHBondContact O-N 3.29Å; V34-T38 WeakPolarHBondContact O-CG2 3.41Å; V34-T38 PolarHBondContact O-N 3.45Å; V34-T38 PolarHBondContact O-OG1 3.01Å; V34-T38 VanDerWaalsContact O-OG1 3.14Å
35	N	54.3	Low	59.4	Low	97 Å²	97	94.3 Å²	94.3	52%	0.519	50%	0.502	S	S	.	.	H	α-helix	trans	-68.6	-37.3	176.8	-74.3	-14.6	0	0	0	111.7	N31 N32 T38 C39	N31-N35 PolarHBondContact O-N 2.97Å; N32-N35 PolarHBondContact O-N 3.09Å; N35-T38 PolarHBondContact O-OG1 3.02Å; N35-C39 WeakPolarHBondContact O-CB 3.42Å; N35-C39 PolarHBondContact O-N 3.04Å; N35-C39 VanDerWaalsContact O-N 3.12Å
36	D	58.4	Low	62.4	Low	108 Å²	108	87.4 Å²	87.4	58%	0.578	47%	0.465	S	S	*	.	H	α-helix	trans	-66.6	-45.4	177.7	-73.6	-14.3	0	0	0	111.6	N32 T38 C39 E40	N32-D36 PolarHBondContact O-N 3.21Å; D36-T38 VanDerWaalsContact C-N 3.34Å; D36-T38 PolarHBondContact O-N 2.78Å; D36-C39 PolarHBondContact O-N 3.46Å; D36-E40 PolarHBondContact O-N 2.96Å
37	D	66.5	Low	65.4	Low	70 Å²	70	83 Å²	83	37%	0.374	45%	0.449	S	S	.	.	H	α-helix	trans	-63	-36.8	177.9	178	49.2	0	0	0	112.6	N33 K41	N33-D37 PolarHBondContact O-N 2.98Å; D37-K41 VanDerWaalsContact CG-NZ 3.27Å; D37-K41 WeakPolarHBondContact O-CG 3.31Å; D37-K41 PolarHBondContact O-N 3.07Å; D37-K41 VanDerWaalsContact OD1-CE 3.23Å; D37-K41 WeakPolarHBondContact OD1-CE 3.46Å; D37-K41 IonicContact OD1-NZ 2.88Å; D37-K41 PolarHBondContact OD1-NZ 3.09Å; D37-K41 IonicContact OD2-NZ 2.77Å; D37-K41 PolarHBondContact OD2-NZ 3.07Å
38	T	75.4	Confident	68.3	Low	44 Å²	44	77.3 Å²	77.3	27%	0.27	42%	0.417	S	S	.	.	H	α-helix	trans	-71.1	-36	176.8	53.6	0	0	0	0	112.7	V34 N35 D36 L42	V34-T38 WeakPolarHBondContact O-CG2 3.41Å; V34-T38 PolarHBondContact O-N 3.45Å; V34-T38 PolarHBondContact O-OG1 3.01Å; V34-T38 VanDerWaalsContact O-OG1 3.14Å; N35-T38 PolarHBondContact O-OG1 3.02Å; D36-T38 VanDerWaalsContact C-N 3.34Å; D36-T38 PolarHBondContact O-N 2.78Å; T38-L42 WeakPolarHBondContact O-CB 3.46Å; T38-L42 PolarHBondContact O-N 3.02Å
39	C	80.2	Confident	71.2	Confident	33 Å²	33	71.6 Å²	71.6	22%	0.223	39%	0.387	C	S	.	.	H	α-helix	trans	-65.7	-44.8	174.3	-171.3	0	0	0	0	111.4	N35 D36 K41 L42 L43	N35-C39 WeakPolarHBondContact O-CB 3.42Å; N35-C39 PolarHBondContact O-N 3.04Å; N35-C39 VanDerWaalsContact O-N 3.12Å; D36-C39 PolarHBondContact O-N 3.46Å; C39-K41 PolarHBondContact O-N 3.46Å; C39-L42 WeakPolarHBondContact O-CB 3.31Å; C39-L42 PolarHBondContact O-N 3.05Å; C39-L43 WeakPolarHBondContact O-CG 3.44Å; C39-L43 PolarHBondContact O-N 3.28Å
40	E	85.8	Confident	74	Confident	138 Å²	138	70.7 Å²	70.7	65%	0.645	38%	0.375	S	S	*	.	H	α-helix	trans	-60	-47.9	179	-170.2	172.7	-174.3	0	0	111.9	D36 L42 L43 E44	D36-E40 PolarHBondContact O-N 2.96Å; E40-L42 VanDerWaalsContact C-N 3.3Å; E40-L42 PolarHBondContact O-N 3.17Å; E40-L43 PolarHBondContact O-N 2.91Å; E40-E44 PolarHBondContact O-N 3.41Å
41	K	88.9	Confident	76.7	Confident	111 Å²	111	66.6 Å²	66.6	48%	0.483	36%	0.355	S	S	.	.	H	α-helix	trans	-61.8	-34.8	176.6	-74.4	170.3	179.6	156.3	0	113.5	D37 C39 G45	D37-K41 VanDerWaalsContact CG-NZ 3.27Å; D37-K41 WeakPolarHBondContact O-CG 3.31Å; D37-K41 PolarHBondContact O-N 3.07Å; D37-K41 VanDerWaalsContact OD1-CE 3.23Å; D37-K41 WeakPolarHBondContact OD1-CE 3.46Å; D37-K41 IonicContact OD1-NZ 2.88Å; D37-K41 PolarHBondContact OD1-NZ 3.09Å; D37-K41 IonicContact OD2-NZ 2.77Å; D37-K41 PolarHBondContact OD2-NZ 3.07Å; C39-K41 PolarHBondContact O-N 3.46Å; K41-G45 PolarHBondContact O-N 3.12Å
42	L	91.4	Very high	79.4	Confident	11 Å²	11	61.5 Å²	61.5	6%	0.058	33%	0.328	C	S	.	.	H	α-helix	trans	-66	-46.8	175.5	172.7	66.3	0	0	0	111	T38 C39 E40 G45 I46 Y77 D143 H147	T38-L42 WeakPolarHBondContact O-CB 3.46Å; T38-L42 PolarHBondContact O-N 3.02Å; C39-L42 WeakPolarHBondContact O-CB 3.31Å; C39-L42 PolarHBondContact O-N 3.05Å; E40-L42 VanDerWaalsContact C-N 3.3Å; E40-L42 PolarHBondContact O-N 3.17Å; L42-G45 PolarHBondContact O-N 3.22Å; L42-I46 HydrophobicContact CD1-CD1 4.29Å; L42-I46 HydrophobicContact CG-CD1 4.13Å; L42-I46 WeakPolarHBondContact O-CG1 3.49Å; L42-I46 PolarHBondContact O-N 3.23Å; L42-Y77 HydrophobicContact CD1-CD2 3.95Å; L42-Y77 HydrophobicContact CD1-CE2 3.85Å; L42-D143 HydrophobicContact CD2-CB 3.6Å; L42-H147 HydrophobicContact CD1-CB 4Å
43	L	93	Very high	81.9	Confident	40 Å²	40	58.5 Å²	58.5	21%	0.209	31%	0.311	C	S	.	.	H	α-helix	trans	-65.1	-40.8	179.5	-66.2	174	0	0	0	111.8	C39 E40 G45 I46 A47 N201 I203	C39-L43 WeakPolarHBondContact O-CG 3.44Å; C39-L43 PolarHBondContact O-N 3.28Å; E40-L43 PolarHBondContact O-N 2.91Å; L43-G45 VanDerWaalsContact C-N 3.3Å; L43-G45 PolarHBondContact O-N 2.89Å; L43-I46 HydrophobicContact CD2-CD1 4.48Å; L43-I46 PolarHBondContact O-N 2.76Å; L43-A47 PolarHBondContact O-N 3Å; L43-N201 WeakPolarHBondContact CD1-ND2 3.4Å; L43-I203 HydrophobicContact CD2-CB 4.12Å; L43-I203 HydrophobicContact CD2-CG2 4.09Å
44	E	92.1	Very high	84.5	Confident	106 Å²	106	55.5 Å²	55.5	50%	0.495	30%	0.295	S	S	.	.	H	α-helix	trans	-57.1	-45.7	171.4	-173.5	-175.5	-177.3	0	0	110.7	E40 I46 A47 E48	E40-E44 PolarHBondContact O-N 3.41Å; E44-I46 PolarHBondContact O-N 3.28Å; E44-A47 PolarHBondContact O-N 3.49Å; E44-E48 WeakPolarHBondContact O-CB 3.39Å; E44-E48 WeakPolarHBondContact O-CG 3.38Å; E44-E48 PolarHBondContact O-N 3.42Å
45	G	92.5	Very high	86.8	Confident	2 Å²	2	52.1 Å²	52.1	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-63.5	-36.7	177.1	0	0	0	0	0	114.4	K41 L42 L43 A49 Y77 Q78	K41-G45 PolarHBondContact O-N 3.12Å; L42-G45 PolarHBondContact O-N 3.22Å; L43-G45 VanDerWaalsContact C-N 3.3Å; L43-G45 PolarHBondContact O-N 2.89Å; G45-A49 WeakPolarHBondContact O-CB 3.39Å; G45-A49 PolarHBondContact O-N 3.33Å; G45-Y77 VanDerWaalsContact O-CB 3.28Å; G45-Y77 WeakPolarHBondContact O-CB 3.34Å; G45-Q78 VanDerWaalsContact CA-CD 3.4Å; G45-Q78 VanDerWaalsContact CA-NE2 3.29Å
46	I	94.4	Very high	88.8	Confident	10 Å²	10	48.1 Å²	48.1	5%	0.051	25%	0.252	C	S	.	.	H	α-helix	trans	-64.9	-45.5	173.9	-70.5	165.8	0	0	0	110.5	L42 L43 E44 A49 K50 Y77 A207 L260	L42-I46 HydrophobicContact CD1-CD1 4.29Å; L42-I46 HydrophobicContact CG-CD1 4.13Å; L42-I46 WeakPolarHBondContact O-CG1 3.49Å; L42-I46 PolarHBondContact O-N 3.23Å; L43-I46 HydrophobicContact CD2-CD1 4.48Å; L43-I46 PolarHBondContact O-N 2.76Å; E44-I46 PolarHBondContact O-N 3.28Å; I46-A49 PolarHBondContact O-N 3.21Å; I46-K50 PolarHBondContact O-N 3.38Å; I46-Y77 HydrophobicContact CD1-CD2 4.43Å; I46-Y77 HydrophobicContact CD1-CE2 4.01Å; I46-Y77 HydrophobicContact CG1-CD2 3.52Å; I46-Y77 HydrophobicContact CG1-CE2 3.48Å; I46-Y77 VanDerWaalsContact CG1-CE2 3.48Å; I46-Y77 HydrophobicContact CG1-CG 4.17Å; I46-A207 HydrophobicContact CD1-CB 3.87Å; I46-A207 HydrophobicContact CG1-CB 4.24Å; I46-A207 HydrophobicContact CG2-CB 3.79Å; I46-L260 HydrophobicContact CG2-CD2 4.1Å
47	A	93.6	Very high	90.5	Very high	54 Å²	54	43.1 Å²	43.1	45%	0.446	23%	0.226	S	C	.	.	H	α-helix	trans	-64.2	-40.8	178.9	0	0	0	0	0	112	L43 E44 K50 T51	L43-A47 PolarHBondContact O-N 3Å; E44-A47 PolarHBondContact O-N 3.49Å; A47-K50 WeakPolarHBondContact O-CB 3.25Å; A47-K50 PolarHBondContact O-N 3.25Å; A47-T51 PolarHBondContact O-N 2.72Å; A47-T51 PolarHBondContact O-OG1 3Å
48	E	92.6	Very high	92	Very high	38 Å²	38	43.1 Å²	43.1	18%	0.178	23%	0.225	C	C	.	.	H	α-helix	trans	-63.1	-45.4	174.3	-79.9	-60.6	135.8	0	0	111.8	E44 K50 T51 T52 R67 N71 Q78	E44-E48 WeakPolarHBondContact O-CB 3.39Å; E44-E48 WeakPolarHBondContact O-CG 3.38Å; E44-E48 PolarHBondContact O-N 3.42Å; E48-K50 VanDerWaalsContact C-N 3.29Å; E48-K50 PolarHBondContact O-N 3.37Å; E48-T51 PolarHBondContact O-N 3.05Å; E48-T52 PolarHBondContact O-N 3.34Å; E48-T52 PolarHBondContact O-OG1 3.35Å; E48-R67 VanDerWaalsContact CD-NH2 3.32Å; E48-R67 IonicContact OE1-NH2 2.64Å; E48-R67 PolarHBondContact OE1-NH2 3.44Å; E48-R67 IonicContact OE2-CZ 2.63Å; E48-R67 IonicContact OE2-NE 2.67Å; E48-R67 PolarHBondContact OE2-NE 3.36Å; E48-R67 IonicContact OE2-NH2 3.39Å; E48-R67 PolarHBondContact OE2-NH2 2.76Å; E48-N71 PolarHBondContact OE2-ND2 3.25Å; E48-Q78 HydrophobicContact CB-CG 3.89Å
49	A	94.5	Very high	92.9	Very high	3 Å²	3	41.6 Å²	41.6	3%	0.025	22%	0.216	C	C	.	.	H	α-helix	trans	-62	-36.7	175.4	0	0	0	0	0	112.5	G45 I46 T52 I53 Y77 L260	G45-A49 WeakPolarHBondContact O-CB 3.39Å; G45-A49 PolarHBondContact O-N 3.33Å; I46-A49 PolarHBondContact O-N 3.21Å; A49-T52 WeakPolarHBondContact O-CB 3.47Å; A49-T52 PolarHBondContact O-N 2.97Å; A49-I53 WeakPolarHBondContact O-CG1 3.21Å; A49-I53 PolarHBondContact O-N 2.98Å; A49-Y77 HydrophobicContact CB-CD1 4.35Å; A49-L260 HydrophobicContact CB-CD1 4Å; A49-L260 HydrophobicContact CB-CD2 4Å
50	K	94.5	Very high	93.6	Very high	76 Å²	76	45.7 Å²	45.7	33%	0.33	23%	0.227	S	C	.	.	H	α-helix	trans	-61.7	-48.4	174.9	-173.5	171.5	179.1	171.7	0	110.7	I46 A47 E48 T52 I53 D54 D258 L260	I46-K50 PolarHBondContact O-N 3.38Å; A47-K50 WeakPolarHBondContact O-CB 3.25Å; A47-K50 PolarHBondContact O-N 3.25Å; E48-K50 VanDerWaalsContact C-N 3.29Å; E48-K50 PolarHBondContact O-N 3.37Å; K50-T52 VanDerWaalsContact C-N 3.29Å; K50-T52 PolarHBondContact O-N 3.4Å; K50-I53 PolarHBondContact O-N 3.5Å; K50-I53 VanDerWaalsContact O-N 3.1Å; K50-D54 VanDerWaalsContact O-CG 3.29Å; K50-D54 PolarHBondContact O-N 2.76Å; K50-D258 PolarHBondContact NZ-O 3.33Å; K50-L260 VanDerWaalsContact CA-CD1 3.41Å; K50-L260 HydrophobicContact CB-CD1 3.78Å; K50-L260 VanDerWaalsContact N-CD1 3.29Å
51	T	94.5	Very high	94	Very high	51 Å²	51	39.1 Å²	39.1	31%	0.313	20%	0.196	S	C	.	.	H	α-helix	trans	-60.8	-39.7	177.7	-52	0	0	0	0	111.8	A47 E48 I53 D54 L55	A47-T51 PolarHBondContact O-N 2.72Å; A47-T51 PolarHBondContact O-OG1 3Å; E48-T51 PolarHBondContact O-N 3.05Å; T51-I53 PolarHBondContact O-N 3.27Å; T51-D54 PolarHBondContact O-N 2.66Å; T51-L55 HydrophobicContact CG2-CD1 4.35Å; T51-L55 HydrophobicContact CG2-CG 4.49Å; T51-L55 WeakPolarHBondContact O-CB 3.36Å; T51-L55 VanDerWaalsContact O-CG 3.29Å; T51-L55 WeakPolarHBondContact O-CG 3.47Å; T51-L55 PolarHBondContact O-N 2.55Å
52	T	94.8	Very high	94.1	Very high	7 Å²	7	37.5 Å²	37.5	4%	0.043	19%	0.19	C	C	.	.	H	α-helix	trans	-58.4	-45.1	173.8	-59.7	0	0	0	0	112	E48 A49 K50 F56 A64 R67 I85	E48-T52 PolarHBondContact O-N 3.34Å; E48-T52 PolarHBondContact O-OG1 3.35Å; A49-T52 WeakPolarHBondContact O-CB 3.47Å; A49-T52 PolarHBondContact O-N 2.97Å; K50-T52 VanDerWaalsContact C-N 3.29Å; K50-T52 PolarHBondContact O-N 3.4Å; T52-F56 WeakPolarHBondContact O-CB 3.15Å; T52-F56 PolarHBondContact O-N 3.06Å; T52-A64 HydrophobicContact CG2-CB 4.37Å; T52-R67 WeakPolarHBondContact OG1-CD 3.37Å; T52-I85 HydrophobicContact CG2-CD1 3.32Å; T52-I85 HydrophobicContact CG2-CG1 4.41Å
53	I	94.3	Very high	94.1	Very high	30 Å²	30	41.5 Å²	41.5	15%	0.154	21%	0.209	C	C	.	.	H	α-helix	trans	-65.3	-43.2	177.1	-68.8	172.6	0	0	0	110.8	A49 K50 T51 L55 F56 L57 L260 P263 L264	A49-I53 WeakPolarHBondContact O-CG1 3.21Å; A49-I53 PolarHBondContact O-N 2.98Å; K50-I53 PolarHBondContact O-N 3.5Å; K50-I53 VanDerWaalsContact O-N 3.1Å; T51-I53 PolarHBondContact O-N 3.27Å; I53-L55 PolarHBondContact O-N 3.3Å; I53-F56 WeakPolarHBondContact O-CB 3.48Å; I53-F56 PolarHBondContact O-N 3.38Å; I53-L57 HydrophobicContact CG2-CD1 3.71Å; I53-L57 HydrophobicContact CG2-CG 4.21Å; I53-L57 WeakPolarHBondContact O-CG 3.38Å; I53-L57 PolarHBondContact O-N 2.73Å; I53-L260 HydrophobicContact CD1-CD1 3.72Å; I53-L260 HydrophobicContact CD1-CG 4.38Å; I53-L260 WeakPolarHBondContact CD1-O 3.37Å; I53-P263 HydrophobicContact CG2-CG 4.25Å; I53-L264 HydrophobicContact CD1-CD1 4.47Å
54	D	95.6	Very high	94.1	Very high	49 Å²	49	39.7 Å²	39.7	26%	0.262	20%	0.199	S	C	.	.	H	α-helix	trans	-63.1	-42.4	179.5	-65.8	-16.6	0	0	0	111.4	K50 T51 F56 L57 N58 Y309	K50-D54 VanDerWaalsContact O-CG 3.29Å; K50-D54 PolarHBondContact O-N 2.76Å; T51-D54 PolarHBondContact O-N 2.66Å; D54-F56 VanDerWaalsContact C-N 3.34Å; D54-L57 PolarHBondContact O-N 2.87Å; D54-N58 WeakPolarHBondContact O-CB 3.4Å; D54-N58 PolarHBondContact O-N 3.17Å; D54-N58 PolarHBondContact O-ND2 3.41Å; D54-Y309 PolarHBondContact OD1-OH 2.85Å
55	L	96	Very high	94	Very high	16 Å²	16	36.9 Å²	36.9	8%	0.084	19%	0.185	C	C	.	.	H	α-helix	trans	-59.9	-46.4	173.7	-72.8	171.1	0	0	0	110.8	T51 I53 N58 N59 R60 E63 A64	T51-L55 HydrophobicContact CG2-CD1 4.35Å; T51-L55 HydrophobicContact CG2-CG 4.49Å; T51-L55 WeakPolarHBondContact O-CB 3.36Å; T51-L55 VanDerWaalsContact O-CG 3.29Å; T51-L55 WeakPolarHBondContact O-CG 3.47Å; T51-L55 PolarHBondContact O-N 2.55Å; I53-L55 PolarHBondContact O-N 3.3Å; L55-N58 CarbonylContact O-C 3.55Å; L55-N58 PolarHBondContact O-N 2.82Å; L55-N59 PolarHBondContact O-N 2.95Å; L55-R60 HydrophobicContact CB-CB 4.28Å; L55-R60 HydrophobicContact CD2-CB 4.05Å; L55-R60 WeakPolarHBondContact O-CA 3.21Å; L55-R60 WeakPolarHBondContact O-CB 3.25Å; L55-R60 PolarHBondContact O-N 2.71Å; L55-E63 HydrophobicContact CD1-CB 4.33Å; L55-A64 HydrophobicContact CB-CB 3.8Å
56	F	95	Very high	93.8	Very high	14 Å²	14	40.1 Å²	40.1	6%	0.061	20%	0.202	C	C	.	.	H	α-helix	trans	-60.9	-47.8	178.8	-174	-91.1	0	0	0	112.1	T52 I53 D54 N58 N59 F61 A64 I85 I88 I314 W346 Y349	T52-F56 WeakPolarHBondContact O-CB 3.15Å; T52-F56 PolarHBondContact O-N 3.06Å; I53-F56 WeakPolarHBondContact O-CB 3.48Å; I53-F56 PolarHBondContact O-N 3.38Å; D54-F56 VanDerWaalsContact C-N 3.34Å; F56-N58 VanDerWaalsContact C-N 3.25Å; F56-N58 PolarHBondContact O-N 3.33Å; F56-N59 PolarHBondContact O-N 2.71Å; F56-F61 AromaticContact CD2-CD1 3.68Å; F56-F61 HydrophobicContact CD2-CD1 3.68Å; F56-F61 HydrophobicContact CD2-CE1 4.21Å; F56-F61 HydrophobicContact CE1-CE1 4.49Å; F56-F61 AromaticContact CE2-CD1 3.69Å; F56-F61 HydrophobicContact CE2-CD1 3.69Å; F56-F61 HydrophobicContact CE2-CE1 4.06Å; F56-F61 HydrophobicContact CG-CD1 4.26Å; F56-F61 HydrophobicContact CG-CE1 4.47Å; F56-F61 HydrophobicContact CZ-CD1 4.29Å; F56-F61 HydrophobicContact CZ-CE1 4.2Å; F56-F61 VanDerWaalsContact O-CE1 3.3Å; F56-F61 WeakPolarHBondContact O-CE1 3.32Å; F56-A64 HydrophobicContact CB-CB 4.18Å; F56-I85 HydrophobicContact CD2-CD1 4.3Å; F56-I85 HydrophobicContact CD2-CG1 3.9Å; F56-I85 HydrophobicContact CD2-CG2 4.38Å; F56-I85 HydrophobicContact CE2-CG1 4.39Å; F56-I85 HydrophobicContact CE2-CG2 4.39Å; F56-I88 HydrophobicContact CE1-CD1 3.97Å; F56-I88 HydrophobicContact CE2-CD1 4.37Å; F56-I88 HydrophobicContact CZ-CB 4.43Å; F56-I88 HydrophobicContact CZ-CD1 3.71Å; F56-I88 HydrophobicContact CZ-CG2 4.06Å; F56-I314 HydrophobicContact CD1-CD1 4.38Å; F56-I314 HydrophobicContact CE1-CD1 3.75Å; F56-W346 HydrophobicContact CE2-CE3 4.43Å; F56-W346 AromaticContact CE2-CH2 3.61Å; F56-W346 HydrophobicContact CE2-CH2 3.61Å; F56-W346 HydrophobicContact CE2-CZ2 4.41Å; F56-W346 AromaticContact CE2-CZ3 3.61Å; F56-W346 HydrophobicContact CE2-CZ3 3.61Å; F56-W346 HydrophobicContact CZ-CH2 4.33Å; F56-W346 AromaticContact CZ-CZ3 3.9Å; F56-W346 HydrophobicContact CZ-CZ3 3.9Å; F56-Y349 VanDerWaalsContact CZ-OH 3.23Å; F56-Y349 WeakPolarHBondContact CZ-OH 3.38Å
57	L	95.4	Very high	93.4	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.016	21%	0.211	C	C	.	.	H	α-helix	trans	-69.3	-22.5	-179.9	-68.1	175.5	0	0	0	113	I53 D54 N59 P263 L267 Y309 S312 I314 F315	I53-L57 HydrophobicContact CG2-CD1 3.71Å; I53-L57 HydrophobicContact CG2-CG 4.21Å; I53-L57 WeakPolarHBondContact O-CG 3.38Å; I53-L57 PolarHBondContact O-N 2.73Å; D54-L57 PolarHBondContact O-N 2.87Å; L57-N59 VanDerWaalsContact C-N 3.28Å; L57-P263 HydrophobicContact CD1-CB 3.84Å; L57-P263 HydrophobicContact CD1-CG 4.18Å; L57-L267 HydrophobicContact CD2-CD1 4.26Å; L57-Y309 HydrophobicContact CB-CD1 3.77Å; L57-Y309 HydrophobicContact CB-CD2 4.28Å; L57-Y309 HydrophobicContact CB-CE1 3.76Å; L57-Y309 HydrophobicContact CB-CE2 4.26Å; L57-Y309 HydrophobicContact CB-CG 4.04Å; L57-Y309 HydrophobicContact CD1-CD2 4.19Å; L57-Y309 HydrophobicContact CD1-CE1 4.2Å; L57-Y309 HydrophobicContact CD1-CE2 3.55Å; L57-S312 VanDerWaalsContact O-CA 3.3Å; L57-S312 WeakPolarHBondContact O-CA 3.46Å; L57-S312 WeakPolarHBondContact O-CB 3.23Å; L57-S312 PolarHBondContact O-OG 3.29Å; L57-I314 HydrophobicContact CD2-CD1 4.02Å; L57-F315 HydrophobicContact CD1-CE2 4.45Å; L57-F315 HydrophobicContact CD2-CE2 4.16Å
58	N	96.7	Very high	92.7	Very high	69 Å²	69	41 Å²	41	37%	0.369	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	16.4	170.4	-76.1	-66.9	0	0	0	113.9	D54 L55 F56 R60 Y309	D54-N58 WeakPolarHBondContact O-CB 3.4Å; D54-N58 PolarHBondContact O-N 3.17Å; D54-N58 PolarHBondContact O-ND2 3.41Å; L55-N58 CarbonylContact O-C 3.55Å; L55-N58 PolarHBondContact O-N 2.82Å; F56-N58 VanDerWaalsContact C-N 3.25Å; F56-N58 PolarHBondContact O-N 3.33Å; N58-R60 PolarHBondContact O-N 3.37Å; N58-Y309 WeakPolarHBondContact ND2-CD1 3.06Å
59	N	95.7	Very high	92	Very high	13 Å²	13	45.6 Å²	45.6	7%	0.07	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	18.1	-178.9	-41	-41.2	0	0	0	115.5	L55 F56 L57 F61 N311 A313 S342 Q343	L55-N59 PolarHBondContact O-N 2.95Å; F56-N59 PolarHBondContact O-N 2.71Å; L57-N59 VanDerWaalsContact C-N 3.28Å; N59-F61 HydrophobicContact CB-CD2 4.49Å; N59-F61 HydrophobicContact CB-CE2 3.77Å; N59-F61 HydrophobicContact CB-CZ 3.81Å; N59-F61 WeakPolarHBondContact O-CD2 3.38Å; N59-F61 PolarHBondContact O-N 3.09Å; N59-F61 VanDerWaalsContact O-N 3.11Å; N59-N311 PolarHBondContact ND2-O 3.34Å; N59-A313 WeakPolarHBondContact OD1-CB 3.3Å; N59-A313 PolarHBondContact OD1-N 2.76Å; N59-S342 PolarHBondContact ND2-O 3.48Å; N59-S342 PolarHBondContact ND2-OG 2.96Å; N59-Q343 HydrophobicContact CB-CB 3.69Å; N59-Q343 HydrophobicContact CB-CG 4.25Å
60	R	95.1	Very high	90.7	Very high	118 Å²	118	52.2 Å²	52.2	45%	0.445	25%	0.248	S	C	.	.			trans	-88.6	58.5	175.2	-60.5	177.2	70.3	-173.4	8.2	109.5	L55 N58 E62 E63 A64	L55-R60 HydrophobicContact CB-CB 4.28Å; L55-R60 HydrophobicContact CD2-CB 4.05Å; L55-R60 WeakPolarHBondContact O-CA 3.21Å; L55-R60 WeakPolarHBondContact O-CB 3.25Å; L55-R60 PolarHBondContact O-N 2.71Å; N58-R60 PolarHBondContact O-N 3.37Å; R60-E62 PolarHBondContact O-N 3.13Å; R60-E63 HydrophobicContact CB-CB 4.34Å; R60-E63 VanDerWaalsContact CZ-CD 3.48Å; R60-E63 IonicContact CZ-OE1 2.81Å; R60-E63 IonicContact CZ-OE2 3.09Å; R60-E63 IonicContact NE-OE1 3.02Å; R60-E63 PolarHBondContact NE-OE1 3.48Å; R60-E63 IonicContact NE-OE2 3.95Å; R60-E63 IonicContact NH2-OE1 2.84Å; R60-E63 PolarHBondContact NH2-OE1 2.84Å; R60-E63 IonicContact NH2-OE2 4Å; R60-E63 PolarHBondContact NH2-OE2 3.38Å; R60-E63 PolarHBondContact O-N 3.29Å; R60-A64 PolarHBondContact O-N 3.12Å
61	F	92.4	Very high	89.4	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65	-43.5	-165.8	-54.2	-64.8	0	0	0	113.3	F56 N59 E63 A64 K65 Q343 D345 W346 Y349	F56-F61 AromaticContact CD2-CD1 3.68Å; F56-F61 HydrophobicContact CD2-CD1 3.68Å; F56-F61 HydrophobicContact CD2-CE1 4.21Å; F56-F61 HydrophobicContact CE1-CE1 4.49Å; F56-F61 AromaticContact CE2-CD1 3.69Å; F56-F61 HydrophobicContact CE2-CD1 3.69Å; F56-F61 HydrophobicContact CE2-CE1 4.06Å; F56-F61 HydrophobicContact CG-CD1 4.26Å; F56-F61 HydrophobicContact CG-CE1 4.47Å; F56-F61 HydrophobicContact CZ-CD1 4.29Å; F56-F61 HydrophobicContact CZ-CE1 4.2Å; F56-F61 VanDerWaalsContact O-CE1 3.3Å; F56-F61 WeakPolarHBondContact O-CE1 3.32Å; N59-F61 HydrophobicContact CB-CD2 4.49Å; N59-F61 HydrophobicContact CB-CE2 3.77Å; N59-F61 HydrophobicContact CB-CZ 3.81Å; N59-F61 WeakPolarHBondContact O-CD2 3.38Å; N59-F61 PolarHBondContact O-N 3.09Å; N59-F61 VanDerWaalsContact O-N 3.11Å; F61-E63 VanDerWaalsContact C-N 3.31Å; F61-E63 PolarHBondContact O-N 3.4Å; F61-A64 PolarHBondContact O-N 3.2Å; F61-K65 WeakPolarHBondContact O-CB 3.34Å; F61-K65 PolarHBondContact O-N 3.27Å; F61-Q343 HydrophobicContact CE2-CB 4.12Å; F61-Q343 HydrophobicContact CE2-CG 3.86Å; F61-Q343 HydrophobicContact CZ-CG 4.4Å; F61-D345 HydrophobicContact CD2-CB 4.17Å; F61-W346 HydrophobicContact CB-CD2 4.06Å; F61-W346 HydrophobicContact CB-CG 4.18Å; F61-W346 HydrophobicContact CB-CZ2 4.03Å; F61-W346 VanDerWaalsContact CB-NE1 3.34Å; F61-W346 HydrophobicContact CD1-CD2 4.15Å; F61-W346 HydrophobicContact CD1-CE3 4.31Å; F61-W346 HydrophobicContact CD2-CB 3.94Å; F61-W346 AromaticContact CD2-CD1 3.71Å; F61-W346 HydrophobicContact CD2-CD2 4.08Å; F61-W346 AromaticContact CD2-CG 3.64Å; F61-W346 HydrophobicContact CD2-CG 3.64Å; F61-W346 HydrophobicContact CE2-CB 3.93Å; F61-W346 HydrophobicContact CE2-CG 4.1Å; F61-W346 AromaticContact CG-CD1 3.89Å; F61-W346 AromaticContact CG-CD2 3.84Å; F61-W346 HydrophobicContact CG-CD2 3.84Å; F61-W346 AromaticContact CG-CE2 3.87Å; F61-W346 HydrophobicContact CG-CE3 4.45Å; F61-W346 AromaticContact CG-CG 3.88Å; F61-W346 HydrophobicContact CG-CG 3.88Å; F61-W346 HydrophobicContact CG-CZ2 4.5Å; F61-W346 AromaticContact CG-NE1 3.89Å; F61-Y349 HydrophobicContact CE1-CD2 4.48Å; F61-Y349 AromaticContact CE1-CE2 3.66Å; F61-Y349 HydrophobicContact CE1-CE2 3.66Å; F61-Y349 HydrophobicContact CE2-CD2 4.24Å; F61-Y349 HydrophobicContact CE2-CE2 4.16Å; F61-Y349 AromaticContact CZ-CD2 3.78Å; F61-Y349 HydrophobicContact CZ-CD2 3.78Å; F61-Y349 AromaticContact CZ-CE2 3.4Å; F61-Y349 HydrophobicContact CZ-CE2 3.4Å
62	E	91.1	Very high	87.7	Confident	78 Å²	78	55 Å²	55	36%	0.364	27%	0.269	S	S	.	.	H	α-helix	trans	-66.3	-35	179.1	-70.4	-53.7	130.9	0	0	112.1	R60 K65 N66	R60-E62 PolarHBondContact O-N 3.13Å; E62-K65 PolarHBondContact O-N 3Å; E62-N66 WeakPolarHBondContact O-CB 3.47Å; E62-N66 VanDerWaalsContact O-CG 3.31Å; E62-N66 PolarHBondContact O-N 3.49Å; E62-N66 PolarHBondContact O-ND2 2.72Å
63	E	92.8	Very high	86.3	Confident	95 Å²	95	61.3 Å²	61.3	44%	0.444	30%	0.298	S	S	.	.	H	α-helix	trans	-68.5	-41.9	174.4	-63.7	-172.8	-120.7	0	0	111.6	L55 R60 F61 K65 N66 R67	L55-E63 HydrophobicContact CD1-CB 4.33Å; R60-E63 HydrophobicContact CB-CB 4.34Å; R60-E63 VanDerWaalsContact CZ-CD 3.48Å; R60-E63 IonicContact CZ-OE1 2.81Å; R60-E63 IonicContact CZ-OE2 3.09Å; R60-E63 IonicContact NE-OE1 3.02Å; R60-E63 PolarHBondContact NE-OE1 3.48Å; R60-E63 IonicContact NE-OE2 3.95Å; R60-E63 IonicContact NH2-OE1 2.84Å; R60-E63 PolarHBondContact NH2-OE1 2.84Å; R60-E63 IonicContact NH2-OE2 4Å; R60-E63 PolarHBondContact NH2-OE2 3.38Å; R60-E63 PolarHBondContact O-N 3.29Å; F61-E63 VanDerWaalsContact C-N 3.31Å; F61-E63 PolarHBondContact O-N 3.4Å; E63-K65 VanDerWaalsContact C-N 3.34Å; E63-N66 PolarHBondContact O-N 3.35Å; E63-R67 PolarHBondContact O-N 2.91Å; E63-R67 VanDerWaalsContact O-N 3.16Å
64	A	93.1	Very high	85.3	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.008	32%	0.315	C	S	.	.	H	α-helix	trans	-62.6	-42.4	175.6	0	0	0	0	0	111.4	T52 L55 F56 R60 F61 R67 I85	T52-A64 HydrophobicContact CG2-CB 4.37Å; L55-A64 HydrophobicContact CB-CB 3.8Å; F56-A64 HydrophobicContact CB-CB 4.18Å; R60-A64 PolarHBondContact O-N 3.12Å; F61-A64 PolarHBondContact O-N 3.2Å; A64-R67 WeakPolarHBondContact O-CB 3.44Å; A64-I85 HydrophobicContact CB-CD1 3.48Å; A64-I85 VanDerWaalsContact CB-CD1 3.48Å; A64-I85 WeakPolarHBondContact O-CD1 3.43Å
65	K	89.5	Confident	84.9	Confident	47 Å²	47	61.8 Å²	61.8	20%	0.204	31%	0.311	C	S	.	.	H	α-helix	trans	-65.1	-43.4	177.6	-178.1	175.7	172.5	172	0	112.3	F61 E62 E63 R67 N82 I85 L86	F61-K65 WeakPolarHBondContact O-CB 3.34Å; F61-K65 PolarHBondContact O-N 3.27Å; E62-K65 PolarHBondContact O-N 3Å; E63-K65 VanDerWaalsContact C-N 3.34Å; K65-R67 VanDerWaalsContact C-N 3.28Å; K65-R67 PolarHBondContact O-N 3.28Å; K65-N82 PolarHBondContact O-ND2 2.93Å; K65-I85 HydrophobicContact CB-CG2 4.15Å; K65-L86 HydrophobicContact CD-CD2 4.12Å; K65-L86 HydrophobicContact CG-CD2 4.13Å
66	N	88.9	Confident	84.7	Confident	71 Å²	71	61.3 Å²	61.3	38%	0.38	31%	0.308	S	S	.	.	H	α-helix	trans	-81.1	-6.6	-176.3	-68.8	-48.1	0	0	0	113.8	E62 E63 L68 H69 M70	E62-N66 WeakPolarHBondContact O-CB 3.47Å; E62-N66 VanDerWaalsContact O-CG 3.31Å; E62-N66 PolarHBondContact O-N 3.49Å; E62-N66 PolarHBondContact O-ND2 2.72Å; E63-N66 PolarHBondContact O-N 3.35Å; N66-L68 VanDerWaalsContact C-N 3.32Å; N66-L68 PolarHBondContact O-N 3.06Å; N66-H69 PolarHBondContact O-N 2.8Å; N66-H69 VanDerWaalsContact O-N 3.07Å; N66-M70 PolarHBondContact O-N 2.95Å
67	R	85.5	Confident	84.6	Confident	61 Å²	61	60.8 Å²	60.8	23%	0.23	31%	0.306	C	S	.	.	H	α-helix	trans	-59.2	-36.9	-174.6	-164	158.7	179.1	97.8	8.3	114.1	E48 T52 E63 A64 K65 H69 M70	E48-R67 VanDerWaalsContact CD-NH2 3.32Å; E48-R67 IonicContact OE1-NH2 2.64Å; E48-R67 PolarHBondContact OE1-NH2 3.44Å; E48-R67 IonicContact OE2-CZ 2.63Å; E48-R67 IonicContact OE2-NE 2.67Å; E48-R67 PolarHBondContact OE2-NE 3.36Å; E48-R67 IonicContact OE2-NH2 3.39Å; E48-R67 PolarHBondContact OE2-NH2 2.76Å; T52-R67 WeakPolarHBondContact OG1-CD 3.37Å; E63-R67 PolarHBondContact O-N 2.91Å; E63-R67 VanDerWaalsContact O-N 3.16Å; A64-R67 WeakPolarHBondContact O-CB 3.44Å; K65-R67 VanDerWaalsContact C-N 3.28Å; K65-R67 PolarHBondContact O-N 3.28Å; R67-H69 VanDerWaalsContact C-N 3.32Å; R67-H69 PolarHBondContact O-N 3.02Å; R67-M70 PolarHBondContact O-N 3.06Å
68	L	79.6	Confident	84.5	Confident	20 Å²	20	61.3 Å²	61.3	11%	0.105	31%	0.308	C	S	.	.	H	α-helix	trans	-62.5	-38.9	176.7	-176.5	65.2	0	0	0	112.1	N66 M70 N71 Q78 N82	N66-L68 VanDerWaalsContact C-N 3.32Å; N66-L68 PolarHBondContact O-N 3.06Å; L68-M70 VanDerWaalsContact C-N 3.27Å; L68-M70 PolarHBondContact O-N 3.07Å; L68-N71 PolarHBondContact O-N 3.38Å; L68-Q78 HydrophobicContact CD1-CB 3.8Å; L68-N82 HydrophobicContact CB-CB 3.95Å; L68-N82 HydrophobicContact CD2-CB 3.81Å; L68-N82 HydrophobicContact CG-CB 4.42Å
69	H	77.5	Confident	84.3	Confident	135 Å²	135	58.9 Å²	58.9	63%	0.625	30%	0.295	S	S	*	.	H	α-helix	trans	-73.6	-19.2	-179.1	-61.7	-60.5	0	0	0	113.4	N66 R67	N66-H69 PolarHBondContact O-N 2.8Å; N66-H69 VanDerWaalsContact O-N 3.07Å; R67-H69 VanDerWaalsContact C-N 3.32Å; R67-H69 PolarHBondContact O-N 3.02Å
70	M	67	Low	84.3	Confident	143 Å²	143	58.4 Å²	58.4	70%	0.704	29%	0.292	S	S	*	.	H	α-helix	trans	-84	-17.5	178.7	-62.7	-63.8	97.1	0	0	112.9	N66 R67 L68	N66-M70 PolarHBondContact O-N 2.95Å; R67-M70 PolarHBondContact O-N 3.06Å; L68-M70 VanDerWaalsContact C-N 3.27Å; L68-M70 PolarHBondContact O-N 3.07Å
71	N	67	Low	84.3	Confident	50 Å²	50	53.4 Å²	53.4	27%	0.267	28%	0.275	S	S	.	.			trans	-94.4	133	-175.5	-68.8	-11.2	0	0	0	110.9	E48 L68 H73	E48-N71 PolarHBondContact OE2-ND2 3.25Å; L68-N71 PolarHBondContact O-N 3.38Å; N71-H73 VanDerWaalsContact C-N 3.28Å; N71-H73 PolarHBondContact O-N 3.05Å
72	T	59	Low	84.3	Confident	134 Å²	134	53.7 Å²	53.7	82%	0.822	28%	0.277	S	S	*	.	S	Bend	trans	-72.7	-18.8	179.2	38.2	0	0	0	0	113.7
73	H	64.6	Low	84.5	Confident	141 Å²	141	50 Å²	50	65%	0.653	26%	0.26	S	S	*	.	S	Bend	trans	-130.4	120.2	179.6	-61.6	-51.8	0	0	0	110	N71	N71-H73 VanDerWaalsContact C-N 3.28Å; N71-H73 PolarHBondContact O-N 3.05Å
74	S	73.2	Confident	84.6	Confident	72 Å²	72	47 Å²	47	50%	0.503	25%	0.248	S	C	.	.			trans	-101	116.5	175.3	69.9	0	0	0	0	111.5	E79	S74-E79 WeakPolarHBondContact CB-OE1 3.43Å; S74-E79 PolarHBondContact OG-OE1 2.97Å
75	G	87.1	Confident	84.7	Confident	17 Å²	17	47.3 Å²	47.3	18%	0.175	25%	0.249	C	C	.	.			trans	-96.8	174.6	170.3	0	0	0	0	0	112	Y77 Q78 E79	G75-Y77 PolarHBondContact O-N 3.48Å; G75-Q78 VanDerWaalsContact C-OE1 3.26Å; G75-Q78 VanDerWaalsContact N-OE1 3.15Å; G75-Q78 PolarHBondContact O-N 3.17Å; G75-Q78 PolarHBondContact O-OE1 3.05Å; G75-E79 VanDerWaalsContact O-CG 3.26Å; G75-E79 WeakPolarHBondContact O-CG 3.13Å; G75-E79 PolarHBondContact O-N 3.49Å
76	M	92.3	Very high	84.9	Confident	6 Å²	6	45.6 Å²	45.6	3%	0.03	24%	0.242	C	C	.	.	H	α-helix	trans	-57.3	-34	-177.6	67.5	-178.2	73.4	0	0	113.3	L80 K116 E144 H147 A148 C151	M76-L80 WeakPolarHBondContact O-CB 3.35Å; M76-L80 PolarHBondContact O-N 2.91Å; M76-K116 HydrophobicContact CE-CB 4.23Å; M76-K116 HydrophobicContact CE-CD 3.47Å; M76-K116 VanDerWaalsContact CE-CD 3.47Å; M76-K116 HydrophobicContact CE-CG 4.49Å; M76-E144 HydrophobicContact CE-CG 3.65Å; M76-H147 VanDerWaalsContact SD-C 3.58Å; M76-H147 HydrophobicContact SD-CB 3.85Å; M76-A148 HydrophobicContact CE-CB 3.95Å; M76-A148 HydrophobicContact SD-CB 4.21Å; M76-C151 HydrophobicContact SD-CB 4.47Å
77	Y	94	Very high	85.1	Confident	3 Å²	3	43.8 Å²	43.8	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-78.3	-38.1	-177.3	-89.3	-64.5	0	0	0	112.8	L42 G45 I46 A49 G75 L80 S81 H147 C151 L260 R261	L42-Y77 HydrophobicContact CD1-CD2 3.95Å; L42-Y77 HydrophobicContact CD1-CE2 3.85Å; G45-Y77 VanDerWaalsContact O-CB 3.28Å; G45-Y77 WeakPolarHBondContact O-CB 3.34Å; I46-Y77 HydrophobicContact CD1-CD2 4.43Å; I46-Y77 HydrophobicContact CD1-CE2 4.01Å; I46-Y77 HydrophobicContact CG1-CD2 3.52Å; I46-Y77 HydrophobicContact CG1-CE2 3.48Å; I46-Y77 VanDerWaalsContact CG1-CE2 3.48Å; I46-Y77 HydrophobicContact CG1-CG 4.17Å; A49-Y77 HydrophobicContact CB-CD1 4.35Å; G75-Y77 PolarHBondContact O-N 3.48Å; Y77-L80 PolarHBondContact O-N 3.43Å; Y77-S81 WeakPolarHBondContact O-CB 2.78Å; Y77-S81 PolarHBondContact O-N 2.95Å; Y77-S81 PolarHBondContact O-OG 3.03Å; Y77-H147 HydrophobicContact CE2-CB 3.97Å; Y77-H147 AromaticContact CE2-CG 3.93Å; Y77-H147 AromaticContact CE2-ND1 3.45Å; Y77-H147 WeakPolarHBondContact CE2-ND1 3.38Å; Y77-H147 AromaticContact CZ-ND1 3.47Å; Y77-H147 PolarHBondContact OH-ND1 3.41Å; Y77-C151 VanDerWaalsContact CE1-SG 3.55Å; Y77-L260 HydrophobicContact CD1-CD2 3.83Å; Y77-L260 HydrophobicContact CE1-CD2 3.77Å; Y77-R261 VanDerWaalsContact CE1-NH1 3.33Å
78	Q	92.3	Very high	85.5	Confident	14 Å²	14	43.3 Å²	43.3	7%	0.065	23%	0.233	C	C	.	.	H	α-helix	trans	-63.5	-46.5	172.4	-61.6	92.8	-36.6	0	0	110.2	G45 E48 L68 G75 L80 S81 N82	G45-Q78 VanDerWaalsContact CA-CD 3.4Å; G45-Q78 VanDerWaalsContact CA-NE2 3.29Å; E48-Q78 HydrophobicContact CB-CG 3.89Å; L68-Q78 HydrophobicContact CD1-CB 3.8Å; G75-Q78 VanDerWaalsContact C-OE1 3.26Å; G75-Q78 VanDerWaalsContact N-OE1 3.15Å; G75-Q78 PolarHBondContact O-N 3.17Å; G75-Q78 PolarHBondContact O-OE1 3.05Å; Q78-L80 PolarHBondContact O-N 3.03Å; Q78-S81 PolarHBondContact O-OG 3.5Å; Q78-S81 VanDerWaalsContact O-OG 3.04Å; Q78-N82 WeakPolarHBondContact O-CB 3.35Å; Q78-N82 PolarHBondContact O-N 3.34Å; Q78-N82 VanDerWaalsContact O-N 3.07Å
79	E	93	Very high	86	Confident	18 Å²	18	43.6 Å²	43.6	8%	0.084	23%	0.233	C	C	.	.	H	α-helix	trans	-60.1	-45.3	176.4	-67.1	-71.4	165.8	0	0	111.7	S74 G75 S83 Q105 T109	S74-E79 WeakPolarHBondContact CB-OE1 3.43Å; S74-E79 PolarHBondContact OG-OE1 2.97Å; G75-E79 VanDerWaalsContact O-CG 3.26Å; G75-E79 WeakPolarHBondContact O-CG 3.13Å; G75-E79 PolarHBondContact O-N 3.49Å; E79-S83 VanDerWaalsContact O-CB 3.31Å; E79-S83 WeakPolarHBondContact O-CB 3.33Å; E79-S83 PolarHBondContact O-N 3.27Å; E79-S83 PolarHBondContact O-OG 3.44Å; E79-S83 VanDerWaalsContact O-OG 3.08Å; E79-Q105 PolarHBondContact OE2-NE2 3.27Å; E79-T109 HydrophobicContact CB-CG2 4.25Å; E79-T109 PolarHBondContact O-OG1 3.45Å; E79-T109 VanDerWaalsContact O-OG1 3.1Å
80	L	95.5	Very high	86.6	Confident	3 Å²	3	37.1 Å²	37.1	2%	0.016	20%	0.204	C	C	.	.	H	α-helix	trans	-69.5	-42.1	-179.6	-179.5	63.5	0	0	0	113.3	M76 Y77 Q78 S83 T84 T109 C151 E154	M76-L80 WeakPolarHBondContact O-CB 3.35Å; M76-L80 PolarHBondContact O-N 2.91Å; Y77-L80 PolarHBondContact O-N 3.43Å; Q78-L80 PolarHBondContact O-N 3.03Å; L80-S83 WeakPolarHBondContact O-CB 3.5Å; L80-S83 PolarHBondContact O-N 3.13Å; L80-T84 WeakPolarHBondContact O-CB 3.48Å; L80-T84 PolarHBondContact O-N 3.03Å; L80-T84 PolarHBondContact O-OG1 3.36Å; L80-T109 HydrophobicContact CB-CG2 3.92Å; L80-T109 HydrophobicContact CD1-CG2 4.07Å; L80-C151 HydrophobicContact CD2-CB 3.74Å; L80-E154 HydrophobicContact CD1-CB 4.29Å; L80-E154 HydrophobicContact CD2-CB 4.25Å; L80-E154 WeakPolarHBondContact CD2-OE2 3.24Å
81	S	94.4	Very high	87.5	Confident	13 Å²	13	32.6 Å²	32.6	9%	0.091	18%	0.181	C	C	.	.	H	α-helix	trans	-64.4	-42	177.7	56.3	0	0	0	0	111.2	Y77 Q78 T84 I85	Y77-S81 WeakPolarHBondContact O-CB 2.78Å; Y77-S81 PolarHBondContact O-N 2.95Å; Y77-S81 PolarHBondContact O-OG 3.03Å; Q78-S81 PolarHBondContact O-OG 3.5Å; Q78-S81 VanDerWaalsContact O-OG 3.04Å; S81-T84 WeakPolarHBondContact O-CB 3.29Å; S81-T84 PolarHBondContact O-N 3.18Å; S81-I85 PolarHBondContact O-N 2.92Å
82	N	93.3	Very high	88.3	Confident	6 Å²	6	31.3 Å²	31.3	3%	0.032	18%	0.178	C	C	.	.	H	α-helix	trans	-62.9	-48.1	173.1	-175.1	-94.4	0	0	0	112.2	K65 L68 Q78 T84 I85 L86 Q105	K65-N82 PolarHBondContact O-ND2 2.93Å; L68-N82 HydrophobicContact CB-CB 3.95Å; L68-N82 HydrophobicContact CD2-CB 3.81Å; L68-N82 HydrophobicContact CG-CB 4.42Å; Q78-N82 WeakPolarHBondContact O-CB 3.35Å; Q78-N82 PolarHBondContact O-N 3.34Å; Q78-N82 VanDerWaalsContact O-N 3.07Å; N82-T84 PolarHBondContact O-N 3.4Å; N82-I85 PolarHBondContact O-N 3.19Å; N82-I85 VanDerWaalsContact O-N 3.11Å; N82-L86 PolarHBondContact O-N 3.05Å; N82-Q105 WeakPolarHBondContact OD1-CG 3.25Å
83	S	95.2	Very high	89.4	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-53.6	-40.4	172.6	-78.5	0	0	0	0	112.5	E79 L80 L86 F87 Q105 L106 T109	E79-S83 VanDerWaalsContact O-CB 3.31Å; E79-S83 WeakPolarHBondContact O-CB 3.33Å; E79-S83 PolarHBondContact O-N 3.27Å; E79-S83 PolarHBondContact O-OG 3.44Å; E79-S83 VanDerWaalsContact O-OG 3.08Å; L80-S83 WeakPolarHBondContact O-CB 3.5Å; L80-S83 PolarHBondContact O-N 3.13Å; S83-L86 PolarHBondContact O-N 3.26Å; S83-F87 WeakPolarHBondContact O-CB 3.41Å; S83-F87 PolarHBondContact O-N 3.49Å; S83-Q105 WeakPolarHBondContact OG-CG 3.13Å; S83-Q105 PolarHBondContact OG-O 3.16Å; S83-L106 PolarHBondContact OG-N 3.07Å; S83-T109 PolarHBondContact OG-OG1 2.95Å
84	T	95.2	Very high	90.2	Very high	33 Å²	33	20.2 Å²	20.2	20%	0.202	12%	0.118	C	C	.	.	H	α-helix	trans	-67.2	-40.4	-180	-57.9	0	0	0	0	111	L80 S81 N82 F87 I88 Q158	L80-T84 WeakPolarHBondContact O-CB 3.48Å; L80-T84 PolarHBondContact O-N 3.03Å; L80-T84 PolarHBondContact O-OG1 3.36Å; S81-T84 WeakPolarHBondContact O-CB 3.29Å; S81-T84 PolarHBondContact O-N 3.18Å; N82-T84 PolarHBondContact O-N 3.4Å; T84-F87 WeakPolarHBondContact O-CB 3.49Å; T84-F87 PolarHBondContact O-N 3.45Å; T84-I88 HydrophobicContact CG2-CD1 4.3Å; T84-I88 VanDerWaalsContact O-CG1 3.27Å; T84-I88 WeakPolarHBondContact O-CG1 3.27Å; T84-I88 PolarHBondContact O-N 3.37Å; T84-Q158 PolarHBondContact OG1-NE2 3.33Å; T84-Q158 PolarHBondContact OG1-OE1 3.33Å
85	I	93.8	Very high	90.7	Very high	6 Å²	6	19.8 Å²	19.8	3%	0.031	11%	0.108	C	C	.	.	H	α-helix	trans	-63.4	-48.6	174.8	-68.8	172.5	0	0	0	110.7	T52 F56 A64 K65 S81 N82 F87 I88 Q89 W346	T52-I85 HydrophobicContact CG2-CD1 3.32Å; T52-I85 HydrophobicContact CG2-CG1 4.41Å; F56-I85 HydrophobicContact CD2-CD1 4.3Å; F56-I85 HydrophobicContact CD2-CG1 3.9Å; F56-I85 HydrophobicContact CD2-CG2 4.38Å; F56-I85 HydrophobicContact CE2-CG1 4.39Å; F56-I85 HydrophobicContact CE2-CG2 4.39Å; A64-I85 HydrophobicContact CB-CD1 3.48Å; A64-I85 VanDerWaalsContact CB-CD1 3.48Å; A64-I85 WeakPolarHBondContact O-CD1 3.43Å; K65-I85 HydrophobicContact CB-CG2 4.15Å; S81-I85 PolarHBondContact O-N 2.92Å; N82-I85 PolarHBondContact O-N 3.19Å; N82-I85 VanDerWaalsContact O-N 3.11Å; I85-F87 VanDerWaalsContact C-N 3.28Å; I85-F87 PolarHBondContact O-N 3.36Å; I85-I88 PolarHBondContact O-N 3.02Å; I85-Q89 PolarHBondContact O-N 2.9Å; I85-W346 HydrophobicContact CG2-CH2 4.01Å; I85-W346 HydrophobicContact CG2-CZ2 4.14Å
86	L	93.7	Very high	90.6	Very high	11 Å²	11	24.3 Å²	24.3	6%	0.058	12%	0.124	C	C	.	.	H	α-helix	trans	-63.7	-37	177.7	-63.8	-177.7	0	0	0	111.5	K65 N82 S83 Q89 G90 A102 Q105	K65-L86 HydrophobicContact CD-CD2 4.12Å; K65-L86 HydrophobicContact CG-CD2 4.13Å; N82-L86 PolarHBondContact O-N 3.05Å; S83-L86 PolarHBondContact O-N 3.26Å; L86-Q89 PolarHBondContact O-N 3.25Å; L86-G90 PolarHBondContact O-N 2.71Å; L86-A102 HydrophobicContact CB-CB 3.88Å; L86-A102 WeakPolarHBondContact O-CB 3.29Å; L86-Q105 HydrophobicContact CD1-CB 3.68Å; L86-Q105 HydrophobicContact CD1-CG 3.7Å
87	F	94.7	Very high	90.4	Very high	33 Å²	33	31.4 Å²	31.4	15%	0.145	16%	0.158	C	C	.	.	H	α-helix	trans	-57.3	-51.1	172.1	167	-94.2	0	0	0	110.5	S83 T84 I85 Q89 G90 M91 L106 Q158 F161 L162	S83-F87 WeakPolarHBondContact O-CB 3.41Å; S83-F87 PolarHBondContact O-N 3.49Å; T84-F87 WeakPolarHBondContact O-CB 3.49Å; T84-F87 PolarHBondContact O-N 3.45Å; I85-F87 VanDerWaalsContact C-N 3.28Å; I85-F87 PolarHBondContact O-N 3.36Å; F87-Q89 VanDerWaalsContact C-N 3.32Å; F87-Q89 PolarHBondContact O-N 2.98Å; F87-G90 PolarHBondContact O-N 3.17Å; F87-M91 HydrophobicContact CD1-CG 4.25Å; F87-M91 HydrophobicContact CD2-CG 4.15Å; F87-M91 HydrophobicContact CE1-CG 3.86Å; F87-M91 HydrophobicContact CE2-CG 3.73Å; F87-M91 HydrophobicContact CE2-SD 3.83Å; F87-M91 HydrophobicContact CG-CG 4.37Å; F87-M91 HydrophobicContact CZ-CG 3.58Å; F87-M91 HydrophobicContact CZ-SD 3.85Å; F87-M91 WeakPolarHBondContact O-CB 3.39Å; F87-M91 WeakPolarHBondContact O-CG 3.47Å; F87-M91 PolarHBondContact O-N 3.48Å; F87-L106 HydrophobicContact CB-CD1 4.5Å; F87-Q158 HydrophobicContact CD1-CG 4.25Å; F87-Q158 HydrophobicContact CD2-CB 3.69Å; F87-Q158 HydrophobicContact CD2-CG 4.19Å; F87-Q158 HydrophobicContact CE1-CG 4.45Å; F87-Q158 HydrophobicContact CE2-CB 4.02Å; F87-Q158 HydrophobicContact CE2-CG 4.42Å; F87-Q158 WeakPolarHBondContact CE2-O 3.41Å; F87-Q158 HydrophobicContact CG-CB 4.06Å; F87-Q158 HydrophobicContact CG-CG 4.14Å; F87-F161 HydrophobicContact CE2-CB 4.02Å; F87-F161 HydrophobicContact CZ-CB 4.28Å; F87-L162 HydrophobicContact CB-CD1 4.49Å; F87-L162 HydrophobicContact CD2-CD1 3.68Å; F87-L162 HydrophobicContact CD2-CD2 3.94Å; F87-L162 HydrophobicContact CD2-CG 3.49Å; F87-L162 VanDerWaalsContact CD2-CG 3.49Å; F87-L162 HydrophobicContact CE2-CD1 4.46Å; F87-L162 HydrophobicContact CE2-CD2 4.22Å; F87-L162 HydrophobicContact CE2-CG 3.81Å
88	I	92.5	Very high	90.3	Very high	52 Å²	52	32.3 Å²	32.3	27%	0.267	16%	0.162	S	C	.	.	H	α-helix	trans	-61.5	-42.2	178.1	-61.3	166.4	0	0	0	110.4	F56 T84 I85 M91 A92 W346	F56-I88 HydrophobicContact CE1-CD1 3.97Å; F56-I88 HydrophobicContact CE2-CD1 4.37Å; F56-I88 HydrophobicContact CZ-CB 4.43Å; F56-I88 HydrophobicContact CZ-CD1 3.71Å; F56-I88 HydrophobicContact CZ-CG2 4.06Å; T84-I88 HydrophobicContact CG2-CD1 4.3Å; T84-I88 VanDerWaalsContact O-CG1 3.27Å; T84-I88 WeakPolarHBondContact O-CG1 3.27Å; T84-I88 PolarHBondContact O-N 3.37Å; I85-I88 PolarHBondContact O-N 3.02Å; I88-M91 PolarHBondContact O-N 3.29Å; I88-A92 WeakPolarHBondContact O-CB 3.41Å; I88-A92 PolarHBondContact O-N 2.94Å; I88-W346 HydrophobicContact CB-CZ3 4.45Å; I88-W346 HydrophobicContact CG2-CZ3 3.98Å
89	Q	90	Very high	90.2	Very high	25 Å²	25	31.9 Å²	31.9	12%	0.117	16%	0.161	C	C	.	.	H	α-helix	trans	-61.5	-46.8	176.4	-172.1	178.6	12.1	0	0	112	I85 L86 F87 A92 T93 W346	I85-Q89 PolarHBondContact O-N 2.9Å; L86-Q89 PolarHBondContact O-N 3.25Å; F87-Q89 VanDerWaalsContact C-N 3.32Å; F87-Q89 PolarHBondContact O-N 2.98Å; Q89-A92 PolarHBondContact O-N 3.2Å; Q89-T93 HydrophobicContact CG-CG2 4.11Å; Q89-T93 WeakPolarHBondContact O-CB 3.33Å; Q89-T93 WeakPolarHBondContact O-CG2 3.36Å; Q89-T93 PolarHBondContact O-N 3.26Å; Q89-T93 PolarHBondContact O-OG1 2.95Å; Q89-W346 HydrophobicContact CB-CH2 3.75Å; Q89-W346 HydrophobicContact CB-CZ2 4.05Å; Q89-W346 HydrophobicContact CB-CZ3 4.4Å; Q89-W346 HydrophobicContact CG-CH2 4.41Å; Q89-W346 HydrophobicContact CG-CZ2 4.29Å
90	G	89.8	Confident	90.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.3	-45	177.8	0	0	0	0	0	111.7	L86 F87 I94 L99	L86-G90 PolarHBondContact O-N 2.71Å; F87-G90 PolarHBondContact O-N 3.17Å; G90-I94 WeakPolarHBondContact O-CA 3.2Å; G90-I94 PolarHBondContact O-N 3.17Å; G90-L99 VanDerWaalsContact O-CD2 3.27Å; G90-L99 WeakPolarHBondContact O-CD2 3.44Å
91	M	86.4	Confident	90	Very high	48 Å²	48	36.8 Å²	36.8	24%	0.236	19%	0.189	C	C	.	.	H	α-helix	trans	-59.3	-49.3	173.8	-69.8	-67.7	-56.8	0	0	110.9	F87 I88 L162 L165 W383	F87-M91 HydrophobicContact CD1-CG 4.25Å; F87-M91 HydrophobicContact CD2-CG 4.15Å; F87-M91 HydrophobicContact CE1-CG 3.86Å; F87-M91 HydrophobicContact CE2-CG 3.73Å; F87-M91 HydrophobicContact CE2-SD 3.83Å; F87-M91 HydrophobicContact CG-CG 4.37Å; F87-M91 HydrophobicContact CZ-CG 3.58Å; F87-M91 HydrophobicContact CZ-SD 3.85Å; F87-M91 WeakPolarHBondContact O-CB 3.39Å; F87-M91 WeakPolarHBondContact O-CG 3.47Å; F87-M91 PolarHBondContact O-N 3.48Å; I88-M91 PolarHBondContact O-N 3.29Å; M91-L162 HydrophobicContact CG-CD2 4.21Å; M91-L162 HydrophobicContact SD-CD2 4.07Å; M91-L165 HydrophobicContact CE-CD1 3.51Å; M91-L165 HydrophobicContact SD-CD1 3.23Å; M91-L165 WeakPolarHBondContact SD-CD1 3.4Å; M91-L165 HydrophobicContact SD-CG 4.35Å; M91-W383 WeakPolarHBondContact O-CZ2 3.48Å
92	A	84.2	Confident	90	Very high	23 Å²	23	36.1 Å²	36.1	19%	0.19	19%	0.185	C	C	.	.	H	α-helix	trans	-64.7	-44.8	-175.9	0	0	0	0	0	112.5	I88 Q89 H348 W383	I88-A92 WeakPolarHBondContact O-CB 3.41Å; I88-A92 PolarHBondContact O-N 2.94Å; Q89-A92 PolarHBondContact O-N 3.2Å; A92-H348 HydrophobicContact CB-CB 3.76Å; A92-H348 PolarHBondContact O-CD2 3.25Å; A92-W383 PolarHBondContact O-NE1 3.43Å
93	T	81.6	Confident	90	Very high	7 Å²	7	37.8 Å²	37.8	4%	0.043	19%	0.191	C	C	.	.	H	α-helix	trans	-82.8	-36.1	-173.1	62.5	0	0	0	0	113.4	Q89 E95 N98 H348	Q89-T93 HydrophobicContact CG-CG2 4.11Å; Q89-T93 WeakPolarHBondContact O-CB 3.33Å; Q89-T93 WeakPolarHBondContact O-CG2 3.36Å; Q89-T93 PolarHBondContact O-N 3.26Å; Q89-T93 PolarHBondContact O-OG1 2.95Å; T93-E95 PolarHBondContact O-N 2.75Å; T93-E95 VanDerWaalsContact O-N 3.11Å; T93-E95 PolarHBondContact OG1-N 3.41Å; T93-N98 WeakPolarHBondContact CB-ND2 3.31Å; T93-N98 VanDerWaalsContact CG2-ND2 3.33Å; T93-N98 WeakPolarHBondContact CG2-ND2 3.35Å; T93-N98 WeakPolarHBondContact OG1-CB 3.3Å; T93-N98 PolarHBondContact OG1-ND2 2.94Å; T93-H348 WeakPolarHBondContact CA-NE2 3.39Å; T93-H348 WeakPolarHBondContact CG2-CE1 3.32Å; T93-H348 WeakPolarHBondContact CG2-NE2 3.27Å
94	I	81	Confident	90	Very high	34 Å²	34	44.3 Å²	44.3	17%	0.174	22%	0.222	C	C	.	.			trans	47.3	31.9	-164.8	-46.4	175	0	0	0	111.5	G90 L99 W383	G90-I94 WeakPolarHBondContact O-CA 3.2Å; G90-I94 PolarHBondContact O-N 3.17Å; I94-L99 HydrophobicContact CG2-CD1 4.06Å; I94-W383 HydrophobicContact CD1-CD2 3.18Å; I94-W383 HydrophobicContact CD1-CE3 3.37Å; I94-W383 HydrophobicContact CD1-CG 3.74Å; I94-W383 HydrophobicContact CD1-CH2 3.82Å; I94-W383 HydrophobicContact CD1-CZ2 3.68Å; I94-W383 HydrophobicContact CD1-CZ3 3.66Å; I94-W383 HydrophobicContact CG1-CD2 4.16Å; I94-W383 HydrophobicContact CG1-CH2 4.37Å; I94-W383 HydrophobicContact CG1-CZ2 3.95Å
95	E	84.5	Confident	90	Very high	64 Å²	64	44.3 Å²	44.3	30%	0.299	22%	0.219	S	C	.	.			trans	-84.7	132.5	171.3	-69.6	-170.1	141.9	0	0	108.7	T93 E97 N98 L99 R382	T93-E95 PolarHBondContact O-N 2.75Å; T93-E95 VanDerWaalsContact O-N 3.11Å; T93-E95 PolarHBondContact OG1-N 3.41Å; E95-E97 PolarHBondContact O-N 3.28Å; E95-E97 VanDerWaalsContact O-N 3.16Å; E95-N98 HydrophobicContact CB-CB 4.36Å; E95-N98 PolarHBondContact O-N 3.47Å; E95-N98 VanDerWaalsContact O-N 3.07Å; E95-N98 PolarHBondContact OE2-ND2 3.35Å; E95-N98 VanDerWaalsContact OE2-ND2 3.08Å; E95-L99 WeakPolarHBondContact O-CB 3.42Å; E95-L99 WeakPolarHBondContact O-CG 3.49Å; E95-L99 PolarHBondContact O-N 3.49Å; E95-R382 IonicContact OE1-CZ 2.8Å; E95-R382 IonicContact OE1-NH1 2.76Å; E95-R382 PolarHBondContact OE1-NH1 3.22Å; E95-R382 IonicContact OE1-NH2 2.72Å; E95-R382 PolarHBondContact OE1-NH2 3.38Å
96	Q	85.2	Confident	90	Very high	111 Å²	111	44 Å²	44	52%	0.519	22%	0.218	S	C	.	.	H	α-helix	trans	-55.9	-36.7	-175.9	-178.2	62.2	10.9	0	0	111.9	E100 Q166	Q96-E100 PolarHBondContact NE2-OE1 3.32Å; Q96-E100 WeakPolarHBondContact O-CB 3.37Å; Q96-E100 WeakPolarHBondContact O-CG 3.32Å; Q96-E100 PolarHBondContact O-N 3.31Å; Q96-Q166 VanDerWaalsContact CD-NE2 3.28Å; Q96-Q166 VanDerWaalsContact OE1-NE2 3.09Å
97	E	89.2	Confident	90.1	Very high	156 Å²	156	48.4 Å²	48.4	73%	0.729	24%	0.237	S	C	*	.	H	α-helix	trans	-63.2	-50.9	175.4	-175.2	177.1	176.4	0	0	112.2	E95 L99 E100 S101	E95-E97 PolarHBondContact O-N 3.28Å; E95-E97 VanDerWaalsContact O-N 3.16Å; E97-L99 VanDerWaalsContact C-N 3.35Å; E97-L99 PolarHBondContact O-N 3.41Å; E97-E100 PolarHBondContact O-N 3.29Å; E97-S101 WeakPolarHBondContact O-CB 3.4Å; E97-S101 PolarHBondContact O-N 3.33Å
98	N	90.5	Very high	90.1	Very high	21 Å²	21	49.8 Å²	49.8	11%	0.112	25%	0.248	C	C	.	.	H	α-helix	trans	-65.4	-38.1	179.1	-65	-34.2	0	0	0	111.9	T93 E95 A102	T93-N98 WeakPolarHBondContact CB-ND2 3.31Å; T93-N98 VanDerWaalsContact CG2-ND2 3.33Å; T93-N98 WeakPolarHBondContact CG2-ND2 3.35Å; T93-N98 WeakPolarHBondContact OG1-CB 3.3Å; T93-N98 PolarHBondContact OG1-ND2 2.94Å; E95-N98 HydrophobicContact CB-CB 4.36Å; E95-N98 PolarHBondContact O-N 3.47Å; E95-N98 VanDerWaalsContact O-N 3.07Å; E95-N98 PolarHBondContact OE2-ND2 3.35Å; E95-N98 VanDerWaalsContact OE2-ND2 3.08Å; N98-A102 VanDerWaalsContact O-CB 3.31Å; N98-A102 WeakPolarHBondContact O-CB 3.38Å; N98-A102 PolarHBondContact O-N 3Å
99	L	90	Very high	90.2	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.026	24%	0.235	C	C	.	.	H	α-helix	trans	-64.6	-45	176.3	-71.6	174.3	0	0	0	112	G90 I94 E95 E97 K103 L162	G90-L99 VanDerWaalsContact O-CD2 3.27Å; G90-L99 WeakPolarHBondContact O-CD2 3.44Å; I94-L99 HydrophobicContact CG2-CD1 4.06Å; E95-L99 WeakPolarHBondContact O-CB 3.42Å; E95-L99 WeakPolarHBondContact O-CG 3.49Å; E95-L99 PolarHBondContact O-N 3.49Å; E97-L99 VanDerWaalsContact C-N 3.35Å; E97-L99 PolarHBondContact O-N 3.41Å; L99-K103 VanDerWaalsContact O-CB 3.27Å; L99-K103 WeakPolarHBondContact O-CB 3.45Å; L99-K103 PolarHBondContact O-N 3Å; L99-L162 HydrophobicContact CD2-CD2 3.65Å
100	E	92	Very high	90.5	Very high	74 Å²	74	46.9 Å²	46.9	35%	0.346	23%	0.234	S	C	.	.	H	α-helix	trans	-67.3	-43.3	176.7	-73.2	-64.2	171.7	0	0	111.5	Q96 E97 A102 K103 E104 Q166	Q96-E100 PolarHBondContact NE2-OE1 3.32Å; Q96-E100 WeakPolarHBondContact O-CB 3.37Å; Q96-E100 WeakPolarHBondContact O-CG 3.32Å; Q96-E100 PolarHBondContact O-N 3.31Å; E97-E100 PolarHBondContact O-N 3.29Å; E100-A102 PolarHBondContact O-N 3.34Å; E100-K103 PolarHBondContact O-N 3.34Å; E100-K103 IonicContact OE1-NZ 3.43Å; E100-K103 IonicContact OE2-NZ 3Å; E100-E104 WeakPolarHBondContact O-CB 3.39Å; E100-E104 PolarHBondContact O-N 3.41Å; E100-Q166 PolarHBondContact OE1-NE2 2.88Å; E100-Q166 PolarHBondContact OE1-OE1 3.28Å
101	S	92.5	Very high	90.7	Very high	50 Å²	50	54.4 Å²	54.4	35%	0.35	27%	0.266	S	S	.	.	H	α-helix	trans	-57.4	-48.3	176.3	178.6	0	0	0	0	111.6	E97 K103 E104 Q105	E97-S101 WeakPolarHBondContact O-CB 3.4Å; E97-S101 PolarHBondContact O-N 3.33Å; S101-K103 VanDerWaalsContact C-N 3.33Å; S101-K103 PolarHBondContact O-N 2.83Å; S101-E104 PolarHBondContact O-N 3.43Å; S101-Q105 WeakPolarHBondContact O-CB 3.46Å; S101-Q105 PolarHBondContact O-N 2.88Å
102	A	95	Very high	90.9	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61	-41.5	176.8	0	0	0	0	0	112.4	L86 N98 E100 L106 L162	L86-A102 HydrophobicContact CB-CB 3.88Å; L86-A102 WeakPolarHBondContact O-CB 3.29Å; N98-A102 VanDerWaalsContact O-CB 3.31Å; N98-A102 WeakPolarHBondContact O-CB 3.38Å; N98-A102 PolarHBondContact O-N 3Å; E100-A102 PolarHBondContact O-N 3.34Å; A102-L106 WeakPolarHBondContact O-CB 3.36Å; A102-L106 WeakPolarHBondContact O-CD1 3.11Å; A102-L106 WeakPolarHBondContact O-CG 3.33Å; A102-L106 PolarHBondContact O-N 3.38Å; A102-L162 HydrophobicContact CB-CD1 3.66Å
103	K	93.4	Very high	91.4	Very high	40 Å²	40	52.6 Å²	52.6	17%	0.174	26%	0.259	C	S	.	.	H	α-helix	trans	-68.5	-39.6	179.8	-175.4	-173.6	-176.6	-177.6	0	112.4	L99 E100 S101 K107 L159	L99-K103 VanDerWaalsContact O-CB 3.27Å; L99-K103 WeakPolarHBondContact O-CB 3.45Å; L99-K103 PolarHBondContact O-N 3Å; E100-K103 PolarHBondContact O-N 3.34Å; E100-K103 IonicContact OE1-NZ 3.43Å; E100-K103 IonicContact OE2-NZ 3Å; S101-K103 VanDerWaalsContact C-N 3.33Å; S101-K103 PolarHBondContact O-N 2.83Å; K103-K107 WeakPolarHBondContact O-CG 3.35Å; K103-K107 PolarHBondContact O-N 3.39Å; K103-L159 HydrophobicContact CB-CD1 4.42Å; K103-L159 HydrophobicContact CG-CD1 3.66Å
104	E	94.4	Very high	91.9	Very high	137 Å²	137	56 Å²	56	64%	0.64	27%	0.274	S	S	*	.	H	α-helix	trans	-63.5	-49.2	175.2	-175.5	171.7	-169.1	0	0	110.7	E100 S101 L106 K107 T108	E100-E104 WeakPolarHBondContact O-CB 3.39Å; E100-E104 PolarHBondContact O-N 3.41Å; S101-E104 PolarHBondContact O-N 3.43Å; E104-L106 VanDerWaalsContact C-N 3.33Å; E104-L106 PolarHBondContact O-N 3.34Å; E104-K107 WeakPolarHBondContact O-CB 3.29Å; E104-K107 PolarHBondContact O-N 2.79Å; E104-K107 VanDerWaalsContact O-N 3.09Å; E104-T108 PolarHBondContact O-N 2.82Å; E104-T108 PolarHBondContact O-OG1 3.4Å
105	Q	94.7	Very high	92.4	Very high	33 Å²	33	58.2 Å²	58.2	15%	0.154	30%	0.298	C	S	.	.	H	α-helix	trans	-62.8	-38.8	179.1	-172.6	48.1	35.5	0	0	112.4	E79 N82 S83 L86 S101 K107 T108 T109	E79-Q105 PolarHBondContact OE2-NE2 3.27Å; N82-Q105 WeakPolarHBondContact OD1-CG 3.25Å; S83-Q105 WeakPolarHBondContact OG-CG 3.13Å; S83-Q105 PolarHBondContact OG-O 3.16Å; L86-Q105 HydrophobicContact CD1-CB 3.68Å; L86-Q105 HydrophobicContact CD1-CG 3.7Å; S101-Q105 WeakPolarHBondContact O-CB 3.46Å; S101-Q105 PolarHBondContact O-N 2.88Å; Q105-K107 PolarHBondContact O-N 3.46Å; Q105-T108 WeakPolarHBondContact O-CB 3.42Å; Q105-T108 PolarHBondContact O-N 3.12Å; Q105-T109 PolarHBondContact O-N 2.73Å; Q105-T109 PolarHBondContact O-OG1 2.92Å; Q105-T109 VanDerWaalsContact O-OG1 3.06Å
106	L	95.9	Very high	92.8	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.4	-38.6	172.7	-82.4	163.8	0	0	0	112.9	S83 F87 A102 E104 T108 T109 L110 Q158 L159 L162	S83-L106 PolarHBondContact OG-N 3.07Å; F87-L106 HydrophobicContact CB-CD1 4.5Å; A102-L106 WeakPolarHBondContact O-CB 3.36Å; A102-L106 WeakPolarHBondContact O-CD1 3.11Å; A102-L106 WeakPolarHBondContact O-CG 3.33Å; A102-L106 PolarHBondContact O-N 3.38Å; E104-L106 VanDerWaalsContact C-N 3.33Å; E104-L106 PolarHBondContact O-N 3.34Å; L106-T108 VanDerWaalsContact C-N 3.31Å; L106-T108 PolarHBondContact O-N 2.95Å; L106-T109 PolarHBondContact O-N 3.48Å; L106-L110 WeakPolarHBondContact O-CB 3.43Å; L106-L110 VanDerWaalsContact O-CG 3.24Å; L106-L110 WeakPolarHBondContact O-CG 3.34Å; L106-L110 PolarHBondContact O-N 2.82Å; L106-Q158 HydrophobicContact CD1-CB 3.94Å; L106-Q158 HydrophobicContact CD2-CB 3.91Å; L106-L159 HydrophobicContact CB-CB 4.37Å; L106-L159 HydrophobicContact CB-CD1 4.3Å; L106-L159 HydrophobicContact CD1-CB 4.33Å; L106-L162 HydrophobicContact CD1-CD1 3.46Å; L106-L162 VanDerWaalsContact CD1-CD1 3.46Å
107	K	95.5	Very high	93.1	Very high	104 Å²	104	55 Å²	55	45%	0.452	28%	0.28	S	S	.	.	H	α-helix	trans	-62.8	-40.6	173.7	-74.3	170.1	179.4	176.9	0	111.1	K103 E104 Q105 L110 K111 L159	K103-K107 WeakPolarHBondContact O-CG 3.35Å; K103-K107 PolarHBondContact O-N 3.39Å; E104-K107 WeakPolarHBondContact O-CB 3.29Å; E104-K107 PolarHBondContact O-N 2.79Å; E104-K107 VanDerWaalsContact O-N 3.09Å; Q105-K107 PolarHBondContact O-N 3.46Å; K107-L110 PolarHBondContact O-N 2.88Å; K107-K111 WeakPolarHBondContact O-CG 3.26Å; K107-K111 PolarHBondContact O-N 3.47Å; K107-L159 HydrophobicContact CG-CD2 4.48Å
108	T	93.5	Very high	93	Very high	61 Å²	61	49.1 Å²	49.1	37%	0.374	25%	0.251	S	S	.	.	H	α-helix	trans	-62	-47.7	174.8	-60.3	0	0	0	0	111	E104 Q105 L106 L110 K111 A112	E104-T108 PolarHBondContact O-N 2.82Å; E104-T108 PolarHBondContact O-OG1 3.4Å; Q105-T108 WeakPolarHBondContact O-CB 3.42Å; Q105-T108 PolarHBondContact O-N 3.12Å; L106-T108 VanDerWaalsContact C-N 3.31Å; L106-T108 PolarHBondContact O-N 2.95Å; T108-L110 VanDerWaalsContact C-N 3.34Å; T108-L110 PolarHBondContact O-N 3.4Å; T108-K111 WeakPolarHBondContact O-CB 3.21Å; T108-K111 PolarHBondContact O-N 3.35Å; T108-A112 PolarHBondContact O-N 2.93Å
109	T	95.1	Very high	92.5	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-57.8	-45.5	176	-63	0	0	0	0	111.8	E79 L80 S83 Q105 L106 K111 A112 C113	E79-T109 HydrophobicContact CB-CG2 4.25Å; E79-T109 PolarHBondContact O-OG1 3.45Å; E79-T109 VanDerWaalsContact O-OG1 3.1Å; L80-T109 HydrophobicContact CB-CG2 3.92Å; L80-T109 HydrophobicContact CD1-CG2 4.07Å; S83-T109 PolarHBondContact OG-OG1 2.95Å; Q105-T109 PolarHBondContact O-N 2.73Å; Q105-T109 PolarHBondContact O-OG1 2.92Å; Q105-T109 VanDerWaalsContact O-OG1 3.06Å; L106-T109 PolarHBondContact O-N 3.48Å; T109-K111 PolarHBondContact O-N 2.79Å; T109-A112 PolarHBondContact O-N 3.4Å; T109-C113 PolarHBondContact O-N 3.48Å; T109-C113 PolarHBondContact O-SG 3.39Å
110	L	95.9	Very high	91.5	Very high	17 Å²	17	60 Å²	60	9%	0.089	31%	0.31	C	S	.	.	H	α-helix	trans	-63.7	-40	178.1	-72.9	178.2	0	0	0	112.4	L106 K107 T108 C113 Q114 Y152 L156 L159	L106-L110 WeakPolarHBondContact O-CB 3.43Å; L106-L110 VanDerWaalsContact O-CG 3.24Å; L106-L110 WeakPolarHBondContact O-CG 3.34Å; L106-L110 PolarHBondContact O-N 2.82Å; K107-L110 PolarHBondContact O-N 2.88Å; T108-L110 VanDerWaalsContact C-N 3.34Å; T108-L110 PolarHBondContact O-N 3.4Å; L110-C113 PolarHBondContact O-N 3.19Å; L110-Q114 WeakPolarHBondContact O-CB 3.46Å; L110-Q114 PolarHBondContact O-N 3.42Å; L110-Y152 HydrophobicContact CB-CD2 4.45Å; L110-Y152 HydrophobicContact CB-CE2 4.32Å; L110-Y152 HydrophobicContact CD2-CD2 3.59Å; L110-Y152 HydrophobicContact CD2-CE2 3.8Å; L110-Y152 HydrophobicContact CD2-CG 4.1Å; L110-Y152 WeakPolarHBondContact CD2-O 3.31Å; L110-L156 HydrophobicContact CD1-CD1 4.25Å; L110-L156 HydrophobicContact CD2-CB 4.12Å; L110-L159 HydrophobicContact CD1-CB 4.4Å; L110-L159 HydrophobicContact CD1-CD2 3.45Å; L110-L159 VanDerWaalsContact CD1-CD2 3.45Å
111	K	93.8	Very high	89.7	Confident	157 Å²	157	58.5 Å²	58.5	68%	0.683	31%	0.311	S	S	*	.	H	α-helix	trans	-62.3	-45.2	173.9	-73.7	174.6	-178.7	-179.3	0	111.3	K107 T108 T109 Q114 A115	K107-K111 WeakPolarHBondContact O-CG 3.26Å; K107-K111 PolarHBondContact O-N 3.47Å; T108-K111 WeakPolarHBondContact O-CB 3.21Å; T108-K111 PolarHBondContact O-N 3.35Å; T109-K111 PolarHBondContact O-N 2.79Å; K111-Q114 PolarHBondContact O-N 2.85Å; K111-A115 PolarHBondContact O-N 3.12Å
112	A	91.5	Very high	87.7	Confident	33 Å²	33	62.9 Å²	62.9	27%	0.273	33%	0.329	S	S	.	.	H	α-helix	trans	-61.6	-43.7	178	0	0	0	0	0	112	T108 T109	T108-A112 PolarHBondContact O-N 2.93Å; T109-A112 PolarHBondContact O-N 3.4Å
113	C	94.6	Very high	85.4	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-65.6	-47.1	174.7	-61.3	0	0	0	0	111	T109 L110 A115 K116 R117 C151 Y152	T109-C113 PolarHBondContact O-N 3.48Å; T109-C113 PolarHBondContact O-SG 3.39Å; L110-C113 PolarHBondContact O-N 3.19Å; C113-A115 PolarHBondContact O-N 3.14Å; C113-K116 PolarHBondContact O-N 3.07Å; C113-R117 WeakPolarHBondContact O-CG 3.43Å; C113-R117 PolarHBondContact O-N 3.43Å; C113-C151 VanDerWaalsContact SG-CB 3.52Å; C113-Y152 HydrophobicContact CB-CD2 4.24Å
114	Q	92.9	Very high	83.6	Confident	79 Å²	79	67.1 Å²	67.1	37%	0.369	36%	0.358	S	S	.	.	H	α-helix	trans	-58.8	-33.7	-178.3	-173.8	62.3	34.6	0	0	113.1	L110 K111 K116 Y152	L110-Q114 WeakPolarHBondContact O-CB 3.46Å; L110-Q114 PolarHBondContact O-N 3.42Å; K111-Q114 PolarHBondContact O-N 2.85Å; Q114-K116 VanDerWaalsContact C-N 3.27Å; Q114-K116 PolarHBondContact O-N 2.89Å; Q114-Y152 HydrophobicContact CB-CD2 4.48Å; Q114-Y152 HydrophobicContact CB-CE2 4.35Å
115	A	91.5	Very high	81.8	Confident	80 Å²	80	65 Å²	65	66%	0.661	36%	0.355	S	S	*	.	H	α-helix	trans	-66.4	-28.5	176	0	0	0	0	0	113.3	K111 C113	K111-A115 PolarHBondContact O-N 3.12Å; C113-A115 PolarHBondContact O-N 3.14Å
116	K	91.9	Very high	79.9	Confident	75 Å²	75	71.7 Å²	71.7	33%	0.326	38%	0.384	S	S	.	.	H	α-helix	trans	-99.8	-15	-176.5	-64.8	-179.6	170.8	-148.4	0	113.8	M76 C113 Q114 E144 Q145 A148	M76-K116 HydrophobicContact CE-CB 4.23Å; M76-K116 HydrophobicContact CE-CD 3.47Å; M76-K116 VanDerWaalsContact CE-CD 3.47Å; M76-K116 HydrophobicContact CE-CG 4.49Å; C113-K116 PolarHBondContact O-N 3.07Å; Q114-K116 VanDerWaalsContact C-N 3.27Å; Q114-K116 PolarHBondContact O-N 2.89Å; K116-E144 HydrophobicContact CB-CG 4.33Å; K116-E144 HydrophobicContact CD-CG 4.06Å; K116-E144 VanDerWaalsContact CD-OE1 3.29Å; K116-E144 WeakPolarHBondContact CD-OE1 3.28Å; K116-E144 WeakPolarHBondContact CE-OE1 3.41Å; K116-E144 IonicContact NZ-OE1 3.28Å; K116-E144 PolarHBondContact NZ-OE1 3.07Å; K116-Q145 WeakPolarHBondContact O-CG 3.47Å; K116-A148 HydrophobicContact CB-CB 3.84Å
117	R	92.5	Very high	78	Confident	34 Å²	34	75.4 Å²	75.4	13%	0.128	40%	0.403	C	S	.	.	S	Bend	trans	-61.9	148.7	175.2	-77.2	176.8	70.8	-158.9	6.7	111.6	C113 K119 A148 E149 Y152	C113-R117 WeakPolarHBondContact O-CG 3.43Å; C113-R117 PolarHBondContact O-N 3.43Å; R117-K119 PolarHBondContact O-N 2.7Å; R117-A148 HydrophobicContact CG-CB 3.85Å; R117-E149 WeakPolarHBondContact CB-OE1 3.48Å; R117-E149 WeakPolarHBondContact CG-OE1 3.45Å; R117-E149 IonicContact CZ-OE1 3.42Å; R117-E149 IonicContact CZ-OE2 3.37Å; R117-E149 VanDerWaalsContact CZ-OE2 3.28Å; R117-E149 IonicContact NE-OE1 3.61Å; R117-E149 PolarHBondContact NE-OE1 3.42Å; R117-E149 IonicContact NE-OE2 3.37Å; R117-E149 PolarHBondContact NE-OE2 3.19Å; R117-E149 IonicContact NH2-OE1 2.86Å; R117-E149 PolarHBondContact NH2-OE1 3.01Å; R117-E149 IonicContact NH2-OE2 3.25Å; R117-E149 PolarHBondContact NH2-OE2 3.33Å; R117-Y152 VanDerWaalsContact NH1-CE1 3.33Å
118	R	86.2	Confident	76	Confident	32 Å²	32	79 Å²	79	12%	0.121	42%	0.419	C	S	.	.			trans	-65.9	125.2	176.9	-175.4	176.3	175.6	173.3	-1.6	109.6	A120 E124 I137 Y141 Q145	R118-A120 PolarHBondContact O-N 2.96Å; R118-E124 IonicContact CZ-OE1 3.94Å; R118-E124 IonicContact CZ-OE2 2.78Å; R118-E124 IonicContact NE-OE1 2.81Å; R118-E124 IonicContact NE-OE2 3.65Å; R118-E124 VanDerWaalsContact NH2-CD 3.32Å; R118-E124 IonicContact NH2-OE1 2.71Å; R118-E124 PolarHBondContact NH2-OE1 3.44Å; R118-E124 IonicContact NH2-OE2 3.31Å; R118-E124 PolarHBondContact NH2-OE2 3.06Å; R118-I137 PolarHBondContact NH1-O 3.37Å; R118-Y141 HydrophobicContact CB-CD1 4.3Å; R118-Y141 HydrophobicContact CB-CE1 3.7Å; R118-Y141 HydrophobicContact CG-CE1 4.48Å; R118-Q145 HydrophobicContact CB-CB 4.41Å; R118-Q145 HydrophobicContact CB-CG 4.33Å
119	K	80.3	Confident	74.5	Confident	183 Å²	183	81.3 Å²	81.3	80%	0.796	43%	0.425	S	S	*	.			trans	-84.5	100	169.3	-62.5	179.9	-175.5	176.7	0	107.4	R117 A121	R117-K119 PolarHBondContact O-N 2.7Å; K119-A121 PolarHBondContact O-N 3.17Å
120	A	68.8	Low	73.3	Confident	70 Å²	70	85.1 Å²	85.1	58%	0.579	45%	0.448	S	S	*	.			trans	-56.4	131.2	178.5	0	0	0	0	0	110.1	R118	R118-A120 PolarHBondContact O-N 2.96Å
121	A	54.8	Low	71.9	Confident	44 Å²	44	90 Å²	90	36%	0.364	47%	0.471	S	S	.	.			trans	-73.3	137.5	170.3	0	0	0	0	0	108.5	K119 S123 E124	K119-A121 PolarHBondContact O-N 3.17Å; A121-S123 WeakPolarHBondContact CB-OG 3.31Å; A121-S123 PolarHBondContact O-N 3.22Å; A121-E124 HydrophobicContact CB-CG 4.39Å; A121-E124 WeakPolarHBondContact O-CB 3.46Å; A121-E124 PolarHBondContact O-N 2.91Å
122	I	49.3	Very low	70.8	Confident	141 Å²	141	90.9 Å²	90.9	72%	0.723	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-50.7	-29.7	177.4	-63.5	170.2	0	0	0	111.4	E124 T125 F126	I122-E124 VanDerWaalsContact C-N 3.3Å; I122-E124 PolarHBondContact O-N 3.19Å; I122-T125 PolarHBondContact O-N 3.4Å; I122-T125 PolarHBondContact O-OG1 3.02Å; I122-F126 HydrophobicContact CG2-CE2 4.18Å; I122-F126 WeakPolarHBondContact O-CD2 3.46Å
123	S	47.8	Very low	70	Confident	81 Å²	81	90 Å²	90	57%	0.566	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-64	-26.7	176.7	54	0	0	0	0	114.9	A121	A121-S123 WeakPolarHBondContact CB-OG 3.31Å; A121-S123 PolarHBondContact O-N 3.22Å
124	E	55.9	Low	69	Low	48 Å²	48	91.7 Å²	91.7	22%	0.224	47%	0.473	C	S	.	.	G	3₁₀ helix	trans	-75.1	-27.4	-177.3	-67.7	177.2	178.9	0	0	112.2	R118 A121 I122 F126 I127	R118-E124 IonicContact CZ-OE1 3.94Å; R118-E124 IonicContact CZ-OE2 2.78Å; R118-E124 IonicContact NE-OE1 2.81Å; R118-E124 IonicContact NE-OE2 3.65Å; R118-E124 VanDerWaalsContact NH2-CD 3.32Å; R118-E124 IonicContact NH2-OE1 2.71Å; R118-E124 PolarHBondContact NH2-OE1 3.44Å; R118-E124 IonicContact NH2-OE2 3.31Å; R118-E124 PolarHBondContact NH2-OE2 3.06Å; A121-E124 HydrophobicContact CB-CG 4.39Å; A121-E124 WeakPolarHBondContact O-CB 3.46Å; A121-E124 PolarHBondContact O-N 2.91Å; I122-E124 VanDerWaalsContact C-N 3.3Å; I122-E124 PolarHBondContact O-N 3.19Å; E124-F126 PolarHBondContact O-N 3.35Å; E124-I127 HydrophobicContact CG-CD1 4.49Å; E124-I127 PolarHBondContact O-N 2.8Å
125	T	56.5	Low	68.1	Low	94 Å²	94	91.1 Å²	91.1	58%	0.577	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-65.4	-22.4	178.7	-33.9	0	0	0	0	112.4	I122	I122-T125 PolarHBondContact O-N 3.4Å; I122-T125 PolarHBondContact O-OG1 3.02Å
126	F	53.2	Low	67.4	Low	172 Å²	172	91.6 Å²	91.6	75%	0.754	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-96.5	-1.3	-178.6	-66.4	-79.9	0	0	0	114.3	I122 E124 K128	I122-F126 HydrophobicContact CG2-CE2 4.18Å; I122-F126 WeakPolarHBondContact O-CD2 3.46Å; E124-F126 PolarHBondContact O-N 3.35Å; F126-K128 PolarHBondContact O-N 3.4Å
127	I	56.2	Low	67	Low	79 Å²	79	89.6 Å²	89.6	41%	0.405	46%	0.46	S	S	.	.	S	Bend	trans	-76.3	124.1	-178	-60.6	176.1	0	0	0	109.4	E124 Q129 I137	E124-I127 HydrophobicContact CG-CD1 4.49Å; E124-I127 PolarHBondContact O-N 2.8Å; I127-Q129 PolarHBondContact O-N 3Å; I127-I137 HydrophobicContact CB-CD1 4.47Å; I127-I137 HydrophobicContact CG2-CD1 4.44Å
128	K	54.3	Low	66.6	Low	179 Å²	179	89.2 Å²	89.2	78%	0.778	46%	0.458	S	S	*	.			trans	-51.8	123.7	174	-74	-175	175.1	-176.1	0	110.6	F126 T130 S133	F126-K128 PolarHBondContact O-N 3.4Å; K128-T130 PolarHBondContact O-N 2.84Å; K128-S133 WeakPolarHBondContact O-CB 3.34Å; K128-S133 PolarHBondContact O-OG 3.45Å
129	Q	61.6	Low	66.4	Low	109 Å²	109	89.6 Å²	89.6	51%	0.509	47%	0.472	S	S	.	.			trans	-70.9	54.5	-175.3	-61.4	-163.3	22	0	0	114.1	I127	I127-Q129 PolarHBondContact O-N 3Å
130	T	69.2	Low	66.7	Low	80 Å²	80	85.8 Å²	85.8	49%	0.491	46%	0.46	S	S	.	.			trans	-72.4	152.4	167.9	58.9	0	0	0	0	110.3	K128 K132 S133 R134	K128-T130 PolarHBondContact O-N 2.84Å; T130-K132 VanDerWaalsContact C-N 3.27Å; T130-K132 PolarHBondContact O-N 3.43Å; T130-S133 PolarHBondContact N-OG 2.98Å; T130-S133 WeakPolarHBondContact O-CA 3.18Å; T130-S133 WeakPolarHBondContact O-CB 3.04Å; T130-S133 PolarHBondContact O-N 3.03Å; T130-S133 PolarHBondContact O-OG 3.25Å; T130-S133 WeakPolarHBondContact OG1-CB 3.19Å; T130-S133 PolarHBondContact OG1-N 3.23Å; T130-S133 PolarHBondContact OG1-OG 2.53Å; T130-R134 PolarHBondContact O-N 3.27Å
131	E	67.3	Low	67.7	Low	121 Å²	121	83.6 Å²	83.6	57%	0.565	44%	0.437	S	S	*	.	H	α-helix	trans	-54.8	-42.1	176.4	-169.4	-175.5	179.6	0	0	112.6	S133 R134 N135	E131-S133 VanDerWaalsContact C-N 3.3Å; E131-S133 PolarHBondContact O-N 2.87Å; E131-R134 WeakPolarHBondContact O-CB 3.27Å; E131-R134 PolarHBondContact O-N 3.5Å; E131-R134 VanDerWaalsContact O-N 3.08Å; E131-N135 PolarHBondContact O-N 2.97Å
132	K	71.4	Confident	69.5	Low	174 Å²	174	84.4 Å²	84.4	76%	0.757	44%	0.437	S	S	*	.	H	α-helix	trans	-57.9	-41.3	172.4	-74.4	-177.4	178.7	177.6	0	112.3	T130 N135 T136	T130-K132 VanDerWaalsContact C-N 3.27Å; T130-K132 PolarHBondContact O-N 3.43Å; K132-N135 PolarHBondContact O-N 3.37Å; K132-T136 PolarHBondContact O-N 3.45Å; K132-T136 PolarHBondContact O-OG1 2.95Å
133	S	73.2	Confident	71.5	Confident	14 Å²	14	78.6 Å²	78.6	10%	0.098	41%	0.408	C	S	.	.	H	α-helix	trans	-66.1	-36.9	175.7	75.7	0	0	0	0	112.3	K128 T130 E131 T136 I137	K128-S133 WeakPolarHBondContact O-CB 3.34Å; K128-S133 PolarHBondContact O-OG 3.45Å; T130-S133 PolarHBondContact N-OG 2.98Å; T130-S133 WeakPolarHBondContact O-CA 3.18Å; T130-S133 WeakPolarHBondContact O-CB 3.04Å; T130-S133 PolarHBondContact O-N 3.03Å; T130-S133 PolarHBondContact O-OG 3.25Å; T130-S133 WeakPolarHBondContact OG1-CB 3.19Å; T130-S133 PolarHBondContact OG1-N 3.23Å; T130-S133 PolarHBondContact OG1-OG 2.53Å; E131-S133 VanDerWaalsContact C-N 3.3Å; E131-S133 PolarHBondContact O-N 2.87Å; S133-T136 PolarHBondContact O-N 3.39Å; S133-I137 WeakPolarHBondContact O-CB 3.47Å; S133-I137 WeakPolarHBondContact O-CD1 3.28Å; S133-I137 WeakPolarHBondContact O-CG1 3.24Å; S133-I137 PolarHBondContact O-N 3.03Å
134	R	73.3	Confident	73.6	Confident	37 Å²	37	77.1 Å²	77.1	14%	0.14	39%	0.392	C	S	.	.	H	α-helix	trans	-61.9	-49.6	175.7	-69.6	-174.1	-82.2	179.3	-5.7	110.4	T130 E131 T136 I137 Y138 Y196 E725 D726	T130-R134 PolarHBondContact O-N 3.27Å; E131-R134 WeakPolarHBondContact O-CB 3.27Å; E131-R134 PolarHBondContact O-N 3.5Å; E131-R134 VanDerWaalsContact O-N 3.08Å; R134-T136 VanDerWaalsContact C-N 3.29Å; R134-T136 PolarHBondContact O-N 3.5Å; R134-I137 PolarHBondContact O-N 3.34Å; R134-Y138 HydrophobicContact CB-CD2 4.16Å; R134-Y138 HydrophobicContact CB-CE2 4.21Å; R134-Y138 HydrophobicContact CG-CE2 4.38Å; R134-Y138 WeakPolarHBondContact O-CD2 3.19Å; R134-Y138 PolarHBondContact O-N 3.3Å; R134-Y196 HydrophobicContact CB-CD2 4.26Å; R134-Y196 HydrophobicContact CB-CE2 4.28Å; R134-Y196 HydrophobicContact CB-CG 4.49Å; R134-Y196 PolarHBondContact NH1-OH 3.23Å; R134-E725 PolarHBondContact NH1-O 2.99Å; R134-D726 IonicContact CZ-OD1 3.47Å; R134-D726 IonicContact NH1-OD1 3.25Å; R134-D726 PolarHBondContact NH1-OD1 2.9Å; R134-D726 IonicContact NH2-OD1 2.74Å; R134-D726 PolarHBondContact NH2-OD1 3.39Å
135	N	74.7	Confident	75.4	Confident	67 Å²	67	77.2 Å²	77.2	36%	0.358	39%	0.392	S	S	.	.	H	α-helix	trans	-57.3	-43.2	175.7	-71.1	-12.5	0	0	0	111.9	E131 K132 G139 Y196	E131-N135 PolarHBondContact O-N 2.97Å; K132-N135 PolarHBondContact O-N 3.37Å; N135-G139 VanDerWaalsContact O-CA 3.27Å; N135-G139 WeakPolarHBondContact O-CA 3.48Å; N135-G139 PolarHBondContact O-N 3.38Å; N135-Y196 WeakPolarHBondContact OD1-CB 3.49Å; N135-Y196 WeakPolarHBondContact OD1-CD1 3.34Å
136	T	77.9	Confident	77.3	Confident	90 Å²	90	72.7 Å²	72.7	55%	0.552	37%	0.365	S	S	*	.	H	α-helix	trans	-64.6	-47.4	176.1	-56.1	0	0	0	0	111.7	K132 S133 R134 L140	K132-T136 PolarHBondContact O-N 3.45Å; K132-T136 PolarHBondContact O-OG1 2.95Å; S133-T136 PolarHBondContact O-N 3.39Å; R134-T136 VanDerWaalsContact C-N 3.29Å; R134-T136 PolarHBondContact O-N 3.5Å; T136-L140 WeakPolarHBondContact O-CD1 3.47Å; T136-L140 WeakPolarHBondContact O-CG 3.27Å; T136-L140 PolarHBondContact O-N 2.87Å
137	I	82.2	Confident	79.3	Confident	33 Å²	33	64.5 Å²	64.5	17%	0.169	33%	0.329	C	S	.	.	H	α-helix	trans	-65.5	-50.6	-176.9	-68.7	163.1	0	0	0	110.9	R118 I127 S133 R134 L140	R118-I137 PolarHBondContact NH1-O 3.37Å; I127-I137 HydrophobicContact CB-CD1 4.47Å; I127-I137 HydrophobicContact CG2-CD1 4.44Å; S133-I137 WeakPolarHBondContact O-CB 3.47Å; S133-I137 WeakPolarHBondContact O-CD1 3.28Å; S133-I137 WeakPolarHBondContact O-CG1 3.24Å; S133-I137 PolarHBondContact O-N 3.03Å; R134-I137 PolarHBondContact O-N 3.34Å; I137-L140 PolarHBondContact O-N 3.3Å
138	Y	85.1	Confident	81.2	Confident	25 Å²	25	60.8 Å²	60.8	10%	0.098	31%	0.31	C	S	.	.	H	α-helix	trans	-77.4	-28	-177.4	-63.4	-66.3	0	0	0	112.5	R134 L140 Y141 R192 I193 Y196	R134-Y138 HydrophobicContact CB-CD2 4.16Å; R134-Y138 HydrophobicContact CB-CE2 4.21Å; R134-Y138 HydrophobicContact CG-CE2 4.38Å; R134-Y138 WeakPolarHBondContact O-CD2 3.19Å; R134-Y138 PolarHBondContact O-N 3.3Å; Y138-L140 PolarHBondContact O-N 3.01Å; Y138-Y141 HydrophobicContact CD1-CE2 4.22Å; Y138-Y141 PolarHBondContact O-N 3.2Å; Y138-R192 HydrophobicContact CD1-CB 4Å; Y138-R192 HydrophobicContact CD2-CB 4.03Å; Y138-R192 HydrophobicContact CE1-CB 3.67Å; Y138-R192 HydrophobicContact CE2-CB 3.74Å; Y138-R192 HydrophobicContact CE2-CG 4.31Å; Y138-R192 HydrophobicContact CG-CB 4.2Å; Y138-R192 WeakPolarHBondContact OH-CD 3.44Å; Y138-R192 PolarHBondContact OH-NH1 3.45Å; Y138-R192 VanDerWaalsContact OH-NH1 3.14Å; Y138-I193 HydrophobicContact CD1-CG1 3.9Å; Y138-Y196 AromaticContact CD2-CD2 3.76Å; Y138-Y196 HydrophobicContact CD2-CD2 3.76Å; Y138-Y196 HydrophobicContact CD2-CG 4.4Å; Y138-Y196 HydrophobicContact CE2-CD2 4.3Å
139	G	82	Confident	83.2	Confident	40 Å²	40	52.4 Å²	52.4	41%	0.412	27%	0.274	S	S	.	.	H	α-helix	trans	-66	-20.8	172.5	0	0	0	0	0	114.1	N135 Y141	N135-G139 VanDerWaalsContact O-CA 3.27Å; N135-G139 WeakPolarHBondContact O-CA 3.48Å; N135-G139 PolarHBondContact O-N 3.38Å; G139-Y141 VanDerWaalsContact C-N 3.31Å; G139-Y141 PolarHBondContact O-N 2.98Å
140	L	85.9	Confident	84.9	Confident	103 Å²	103	47.2 Å²	47.2	54%	0.539	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-9.9	176	-73.6	166.6	0	0	0	114.3	T136 I137 Y138 T142	T136-L140 WeakPolarHBondContact O-CD1 3.47Å; T136-L140 WeakPolarHBondContact O-CG 3.27Å; T136-L140 PolarHBondContact O-N 2.87Å; I137-L140 PolarHBondContact O-N 3.3Å; Y138-L140 PolarHBondContact O-N 3.01Å; L140-T142 PolarHBondContact O-N 3.36Å
141	Y	90.3	Very high	86.2	Confident	24 Å²	24	43.4 Å²	43.4	9%	0.094	23%	0.226	C	C	.	.			trans	-67.6	128.4	174.9	-83.8	-102.8	0	0	0	110.2	R118 Y138 G139 Q145 E149 I193 R197	R118-Y141 HydrophobicContact CB-CD1 4.3Å; R118-Y141 HydrophobicContact CB-CE1 3.7Å; R118-Y141 HydrophobicContact CG-CE1 4.48Å; Y138-Y141 HydrophobicContact CD1-CE2 4.22Å; Y138-Y141 PolarHBondContact O-N 3.2Å; G139-Y141 VanDerWaalsContact C-N 3.31Å; G139-Y141 PolarHBondContact O-N 2.98Å; Y141-Q145 HydrophobicContact CD1-CB 3.84Å; Y141-E149 HydrophobicContact CE1-CG 4.01Å; Y141-I193 HydrophobicContact CD1-CD1 3.67Å; Y141-I193 HydrophobicContact CD1-CG1 4.45Å; Y141-I193 HydrophobicContact CD2-CD1 4.25Å; Y141-I193 HydrophobicContact CD2-CG1 4.21Å; Y141-I193 HydrophobicContact CE1-CD1 3.73Å; Y141-I193 HydrophobicContact CE2-CD1 4.3Å; Y141-I193 HydrophobicContact CE2-CG1 4.4Å; Y141-I193 HydrophobicContact CG-CD1 3.95Å; Y141-I193 HydrophobicContact CG-CG1 4.24Å; Y141-R197 PolarHBondContact O-NE 2.87Å; Y141-R197 PolarHBondContact O-NH2 3.46Å; Y141-R197 VanDerWaalsContact O-NH2 3.09Å
142	T	91.6	Very high	87.7	Confident	61 Å²	61	39.2 Å²	39.2	37%	0.374	21%	0.205	S	C	.	.			trans	-70.2	160.7	164.1	67.5	0	0	0	0	109.9	L140 E144 Q145 A146	L140-T142 PolarHBondContact O-N 3.36Å; T142-E144 VanDerWaalsContact C-N 3.26Å; T142-E144 PolarHBondContact O-N 3.13Å; T142-Q145 PolarHBondContact O-N 3.35Å; T142-Q145 VanDerWaalsContact OG1-CG 3.28Å; T142-Q145 WeakPolarHBondContact OG1-CG 3.34Å; T142-Q145 PolarHBondContact OG1-N 3.17Å; T142-A146 PolarHBondContact O-N 3.15Å
143	D	91.8	Very high	88.9	Confident	20 Å²	20	30.9 Å²	30.9	11%	0.107	17%	0.169	C	C	.	.	H	α-helix	trans	-54.5	-48.3	174.7	-74.3	3.6	0	0	0	109.5	L42 Q145 A146 H147 R197 S204	L42-D143 HydrophobicContact CD2-CB 3.6Å; D143-Q145 PolarHBondContact O-N 2.88Å; D143-A146 PolarHBondContact O-N 3.47Å; D143-H147 PolarHBondContact O-CD2 3.31Å; D143-H147 PolarHBondContact O-N 3.2Å; D143-R197 IonicContact OD1-CZ 2.68Å; D143-R197 IonicContact OD1-NH1 3.71Å; D143-R197 PolarHBondContact OD1-NH1 2.93Å; D143-R197 IonicContact OD1-NH2 3.77Å; D143-R197 PolarHBondContact OD1-NH2 3.24Å; D143-S204 PolarHBondContact OD2-OG 3.45Å
144	E	92.7	Very high	90	Very high	49 Å²	49	31 Å²	31	23%	0.229	17%	0.168	C	C	.	.	H	α-helix	trans	-57.3	-44	179.3	-170.5	178.5	-137	0	0	112.9	M76 K116 T142 A148	M76-E144 HydrophobicContact CE-CG 3.65Å; K116-E144 HydrophobicContact CB-CG 4.33Å; K116-E144 HydrophobicContact CD-CG 4.06Å; K116-E144 VanDerWaalsContact CD-OE1 3.29Å; K116-E144 WeakPolarHBondContact CD-OE1 3.28Å; K116-E144 WeakPolarHBondContact CE-OE1 3.41Å; K116-E144 IonicContact NZ-OE1 3.28Å; K116-E144 PolarHBondContact NZ-OE1 3.07Å; T142-E144 VanDerWaalsContact C-N 3.26Å; T142-E144 PolarHBondContact O-N 3.13Å; E144-A148 VanDerWaalsContact O-CB 3.23Å; E144-A148 WeakPolarHBondContact O-CB 3.44Å; E144-A148 PolarHBondContact O-N 2.96Å
145	Q	94	Very high	91.1	Very high	50 Å²	50	29.2 Å²	29.2	23%	0.234	16%	0.161	C	C	.	.	H	α-helix	trans	-66.7	-40.6	178.8	-74.6	170.7	-6.1	0	0	112.3	K116 R118 Y141 T142 D143 A148 E149	K116-Q145 WeakPolarHBondContact O-CG 3.47Å; R118-Q145 HydrophobicContact CB-CB 4.41Å; R118-Q145 HydrophobicContact CB-CG 4.33Å; Y141-Q145 HydrophobicContact CD1-CB 3.84Å; T142-Q145 PolarHBondContact O-N 3.35Å; T142-Q145 VanDerWaalsContact OG1-CG 3.28Å; T142-Q145 WeakPolarHBondContact OG1-CG 3.34Å; T142-Q145 PolarHBondContact OG1-N 3.17Å; D143-Q145 PolarHBondContact O-N 2.88Å; Q145-A148 PolarHBondContact O-N 2.9Å; Q145-E149 PolarHBondContact O-N 3Å; Q145-E149 VanDerWaalsContact O-N 3.13Å
146	A	95	Very high	92.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.8	-53.3	176.5	0	0	0	0	0	110.3	T142 D143 A148 E149 L150 I193 W199 F208	T142-A146 PolarHBondContact O-N 3.15Å; D143-A146 PolarHBondContact O-N 3.47Å; A146-A148 PolarHBondContact O-N 3.38Å; A146-E149 WeakPolarHBondContact O-CB 3.42Å; A146-E149 PolarHBondContact O-N 3.15Å; A146-E149 VanDerWaalsContact O-N 3.08Å; A146-L150 PolarHBondContact O-N 3.49Å; A146-I193 HydrophobicContact CB-CD1 4.31Å; A146-I193 HydrophobicContact CB-CG2 3.86Å; A146-W199 HydrophobicContact CB-CH2 4.08Å; A146-F208 HydrophobicContact CB-CD2 4.33Å; A146-F208 HydrophobicContact CB-CE2 3.94Å; A146-F208 HydrophobicContact CB-CZ 4.32Å; A146-F208 VanDerWaalsContact O-CE2 3.29Å; A146-F208 WeakPolarHBondContact O-CE2 3.32Å
147	H	96.1	Very high	92.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.1	-32.9	178.4	-76.6	-82.4	0	0	0	112.7	L42 M76 Y77 D143 L150 C151 W199 S204	L42-H147 HydrophobicContact CD1-CB 4Å; M76-H147 VanDerWaalsContact SD-C 3.58Å; M76-H147 HydrophobicContact SD-CB 3.85Å; Y77-H147 HydrophobicContact CE2-CB 3.97Å; Y77-H147 AromaticContact CE2-CG 3.93Å; Y77-H147 AromaticContact CE2-ND1 3.45Å; Y77-H147 WeakPolarHBondContact CE2-ND1 3.38Å; Y77-H147 AromaticContact CZ-ND1 3.47Å; Y77-H147 PolarHBondContact OH-ND1 3.41Å; D143-H147 PolarHBondContact O-CD2 3.31Å; D143-H147 PolarHBondContact O-N 3.2Å; H147-L150 PolarHBondContact O-N 3.4Å; H147-C151 WeakPolarHBondContact O-CB 3.32Å; H147-C151 PolarHBondContact O-N 3.28Å; H147-C151 PolarHBondContact O-SG 3Å; H147-W199 AromaticContact NE2-CZ3 3.92Å; H147-S204 PolarHBondContact CE1-O 3.44Å; H147-S204 PolarHBondContact NE2-O 2.88Å; H147-S204 PolarHBondContact NE2-OG 3.43Å
148	A	96.2	Very high	93.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-66.1	-37.5	174.1	0	0	0	0	0	113	M76 K116 R117 E144 Q145 A146 Y152	M76-A148 HydrophobicContact CE-CB 3.95Å; M76-A148 HydrophobicContact SD-CB 4.21Å; K116-A148 HydrophobicContact CB-CB 3.84Å; R117-A148 HydrophobicContact CG-CB 3.85Å; E144-A148 VanDerWaalsContact O-CB 3.23Å; E144-A148 WeakPolarHBondContact O-CB 3.44Å; E144-A148 PolarHBondContact O-N 2.96Å; Q145-A148 PolarHBondContact O-N 2.9Å; A146-A148 PolarHBondContact O-N 3.38Å; A148-Y152 WeakPolarHBondContact O-CB 3.34Å; A148-Y152 PolarHBondContact O-N 3.13Å
149	E	95.7	Very high	93.8	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.019	13%	0.125	C	C	.	.	H	α-helix	trans	-61.6	-45	172.9	-71.5	-61.8	143.2	0	0	111.4	R117 Y141 Q145 A146 A153 I189	R117-E149 WeakPolarHBondContact CB-OE1 3.48Å; R117-E149 WeakPolarHBondContact CG-OE1 3.45Å; R117-E149 IonicContact CZ-OE1 3.42Å; R117-E149 IonicContact CZ-OE2 3.37Å; R117-E149 VanDerWaalsContact CZ-OE2 3.28Å; R117-E149 IonicContact NE-OE1 3.61Å; R117-E149 PolarHBondContact NE-OE1 3.42Å; R117-E149 IonicContact NE-OE2 3.37Å; R117-E149 PolarHBondContact NE-OE2 3.19Å; R117-E149 IonicContact NH2-OE1 2.86Å; R117-E149 PolarHBondContact NH2-OE1 3.01Å; R117-E149 IonicContact NH2-OE2 3.25Å; R117-E149 PolarHBondContact NH2-OE2 3.33Å; Y141-E149 HydrophobicContact CE1-CG 4.01Å; Q145-E149 PolarHBondContact O-N 3Å; Q145-E149 VanDerWaalsContact O-N 3.13Å; A146-E149 WeakPolarHBondContact O-CB 3.42Å; A146-E149 PolarHBondContact O-N 3.15Å; A146-E149 VanDerWaalsContact O-N 3.08Å; E149-A153 PolarHBondContact O-N 2.85Å; E149-I189 HydrophobicContact CG-CG2 4.4Å
150	L	97.3	Very high	94.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-66.8	-50.2	-179.6	176	62.3	0	0	0	111.8	A146 H147 Y152 A153 E154 Y187 F208	A146-L150 PolarHBondContact O-N 3.49Å; H147-L150 PolarHBondContact O-N 3.4Å; L150-Y152 VanDerWaalsContact C-N 3.28Å; L150-Y152 PolarHBondContact O-N 2.86Å; L150-A153 WeakPolarHBondContact O-CB 3.46Å; L150-A153 PolarHBondContact O-N 3.48Å; L150-A153 VanDerWaalsContact O-N 3.11Å; L150-E154 PolarHBondContact O-N 2.99Å; L150-Y187 HydrophobicContact CD1-CD1 4.32Å; L150-Y187 HydrophobicContact CD1-CE1 3.61Å; L150-F208 HydrophobicContact CB-CD2 4.11Å; L150-F208 HydrophobicContact CB-CE2 3.8Å; L150-F208 HydrophobicContact CD2-CD2 3.72Å; L150-F208 HydrophobicContact CD2-CE2 4.16Å; L150-F208 HydrophobicContact CD2-CG 4.3Å; L150-F208 WeakPolarHBondContact CD2-O 3.48Å
151	C	97.4	Very high	94.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.1	-37.8	179.1	-68.1	0	0	0	0	111.8	M76 Y77 L80 C113 H147 G155	M76-C151 HydrophobicContact SD-CB 4.47Å; Y77-C151 VanDerWaalsContact CE1-SG 3.55Å; L80-C151 HydrophobicContact CD2-CB 3.74Å; C113-C151 VanDerWaalsContact SG-CB 3.52Å; H147-C151 WeakPolarHBondContact O-CB 3.32Å; H147-C151 PolarHBondContact O-N 3.28Å; H147-C151 PolarHBondContact O-SG 3Å; C151-G155 PolarHBondContact O-N 3.47Å
152	Y	97.3	Very high	94.1	Very high	32 Å²	32	18.5 Å²	18.5	13%	0.125	9%	0.091	C	C	.	.	H	α-helix	trans	-63.3	-43.3	173.6	-177.3	-91.1	0	0	0	111.8	L110 C113 Q114 R117 A148 L150 L156	L110-Y152 HydrophobicContact CB-CD2 4.45Å; L110-Y152 HydrophobicContact CB-CE2 4.32Å; L110-Y152 HydrophobicContact CD2-CD2 3.59Å; L110-Y152 HydrophobicContact CD2-CE2 3.8Å; L110-Y152 HydrophobicContact CD2-CG 4.1Å; L110-Y152 WeakPolarHBondContact CD2-O 3.31Å; C113-Y152 HydrophobicContact CB-CD2 4.24Å; Q114-Y152 HydrophobicContact CB-CD2 4.48Å; Q114-Y152 HydrophobicContact CB-CE2 4.35Å; R117-Y152 VanDerWaalsContact NH1-CE1 3.33Å; A148-Y152 WeakPolarHBondContact O-CB 3.34Å; A148-Y152 PolarHBondContact O-N 3.13Å; L150-Y152 VanDerWaalsContact C-N 3.28Å; L150-Y152 PolarHBondContact O-N 2.86Å; Y152-L156 HydrophobicContact CE1-CD2 3.87Å; Y152-L156 WeakPolarHBondContact O-CB 3.47Å; Y152-L156 PolarHBondContact O-N 3.45Å
153	A	96.4	Very high	93.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-59.5	-48.1	177.6	0	0	0	0	0	111.6	E149 L150 L156 L157 C183 C186 Y187	E149-A153 PolarHBondContact O-N 2.85Å; L150-A153 WeakPolarHBondContact O-CB 3.46Å; L150-A153 PolarHBondContact O-N 3.48Å; L150-A153 VanDerWaalsContact O-N 3.11Å; A153-L156 PolarHBondContact O-N 3.15Å; A153-L157 PolarHBondContact O-N 3.37Å; A153-L157 VanDerWaalsContact O-N 3.08Å; A153-C183 PolarHBondContact O-SG 2.89Å; A153-C186 HydrophobicContact CB-CB 3.6Å; A153-Y187 HydrophobicContact CB-CD2 4.08Å; A153-Y187 HydrophobicContact CB-CE1 4.35Å; A153-Y187 HydrophobicContact CB-CE2 3.87Å; A153-Y187 HydrophobicContact CB-CG 4.44Å
154	E	96.6	Very high	93.1	Very high	15 Å²	15	18.9 Å²	18.9	7%	0.07	9%	0.091	C	C	.	.	H	α-helix	trans	-62.8	-51.2	179.1	-73.2	-179.5	-166.3	0	0	111.9	L80 L150 L156 L157 Q158 Y187 R261	L80-E154 HydrophobicContact CD1-CB 4.29Å; L80-E154 HydrophobicContact CD2-CB 4.25Å; L80-E154 WeakPolarHBondContact CD2-OE2 3.24Å; L150-E154 PolarHBondContact O-N 2.99Å; E154-L156 VanDerWaalsContact C-N 3.26Å; E154-L156 PolarHBondContact O-N 3.49Å; E154-L157 WeakPolarHBondContact O-CB 3.14Å; E154-L157 PolarHBondContact O-N 3.49Å; E154-Q158 WeakPolarHBondContact O-CG 3.4Å; E154-Q158 PolarHBondContact O-N 3.48Å; E154-Y187 WeakPolarHBondContact CG-OH 3.47Å; E154-R261 VanDerWaalsContact CD-NH2 3.31Å; E154-R261 IonicContact OE1-CZ 3.51Å; E154-R261 IonicContact OE1-NE 3.98Å; E154-R261 PolarHBondContact OE1-NE 3.22Å; E154-R261 IonicContact OE1-NH2 3.77Å; E154-R261 PolarHBondContact OE1-NH2 3.28Å; E154-R261 IonicContact OE2-CZ 2.62Å; E154-R261 IonicContact OE2-NE 2.77Å; E154-R261 IonicContact OE2-NH2 2.68Å; E154-R261 PolarHBondContact OE2-NH2 3.2Å
155	G	96.9	Very high	92.2	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.5	-35.2	177.9	0	0	0	0	0	112.5	C151 L157 Q158 L159	C151-G155 PolarHBondContact O-N 3.47Å; G155-L157 VanDerWaalsContact C-N 3.35Å; G155-Q158 PolarHBondContact O-N 3.17Å; G155-L159 VanDerWaalsContact O-CB 3.31Å; G155-L159 WeakPolarHBondContact O-CB 3.43Å; G155-L159 PolarHBondContact O-N 3.01Å
156	L	95.5	Very high	91.3	Very high	10 Å²	10	17.5 Å²	17.5	5%	0.052	9%	0.085	C	C	.	.	H	α-helix	trans	-69.3	-37.7	-179.9	-176.9	63.4	0	0	0	111.1	L110 Y152 A153 E154 A160 K179 Q182 C183	L110-L156 HydrophobicContact CD1-CD1 4.25Å; L110-L156 HydrophobicContact CD2-CB 4.12Å; Y152-L156 HydrophobicContact CE1-CD2 3.87Å; Y152-L156 WeakPolarHBondContact O-CB 3.47Å; Y152-L156 PolarHBondContact O-N 3.45Å; A153-L156 PolarHBondContact O-N 3.15Å; E154-L156 VanDerWaalsContact C-N 3.26Å; E154-L156 PolarHBondContact O-N 3.49Å; L156-A160 WeakPolarHBondContact O-CB 3.23Å; L156-A160 PolarHBondContact O-N 2.95Å; L156-K179 HydrophobicContact CD1-CB 4.15Å; L156-K179 HydrophobicContact CD1-CD 4.13Å; L156-K179 HydrophobicContact CD1-CG 3.98Å; L156-K179 HydrophobicContact CG-CB 4.3Å; L156-Q182 HydrophobicContact CD2-CB 3.81Å; L156-Q182 HydrophobicContact CD2-CG 3.62Å; L156-C183 HydrophobicContact CD2-CB 4.43Å
157	L	93.5	Very high	90.2	Very high	35 Å²	35	20.1 Å²	20.1	18%	0.183	10%	0.099	C	C	.	.	H	α-helix	trans	-64.5	-50.6	175.6	-169.3	58.6	0	0	0	111	A153 E154 G155 L159 A160 F161 I180 F219	A153-L157 PolarHBondContact O-N 3.37Å; A153-L157 VanDerWaalsContact O-N 3.08Å; E154-L157 WeakPolarHBondContact O-CB 3.14Å; E154-L157 PolarHBondContact O-N 3.49Å; G155-L157 VanDerWaalsContact C-N 3.35Å; L157-L159 VanDerWaalsContact C-N 3.3Å; L157-L159 PolarHBondContact O-N 3.31Å; L157-A160 WeakPolarHBondContact O-CB 3.4Å; L157-A160 PolarHBondContact O-N 2.87Å; L157-A160 VanDerWaalsContact O-N 3.1Å; L157-F161 HydrophobicContact CD1-CD2 4.1Å; L157-F161 HydrophobicContact CD1-CE2 3.62Å; L157-F161 HydrophobicContact CD2-CE2 4.46Å; L157-F161 HydrophobicContact CG-CD2 4.03Å; L157-F161 HydrophobicContact CG-CE2 3.79Å; L157-F161 VanDerWaalsContact O-CD2 3.29Å; L157-F161 WeakPolarHBondContact O-CD2 3.33Å; L157-F161 PolarHBondContact O-N 3.41Å; L157-I180 HydrophobicContact CD1-CG1 4.42Å; L157-F219 HydrophobicContact CD1-CZ 4.09Å; L157-F219 HydrophobicContact CD2-CE2 4.31Å
158	Q	95.1	Very high	88.9	Confident	26 Å²	26	26.2 Å²	26.2	12%	0.121	13%	0.128	C	C	.	.	H	α-helix	trans	-56.8	-44.4	176.9	-68.5	178.1	18.7	0	0	111.2	T84 F87 L106 E154 G155 A160 F161 L162	T84-Q158 PolarHBondContact OG1-NE2 3.33Å; T84-Q158 PolarHBondContact OG1-OE1 3.33Å; F87-Q158 HydrophobicContact CD1-CG 4.25Å; F87-Q158 HydrophobicContact CD2-CB 3.69Å; F87-Q158 HydrophobicContact CD2-CG 4.19Å; F87-Q158 HydrophobicContact CE1-CG 4.45Å; F87-Q158 HydrophobicContact CE2-CB 4.02Å; F87-Q158 HydrophobicContact CE2-CG 4.42Å; F87-Q158 WeakPolarHBondContact CE2-O 3.41Å; F87-Q158 HydrophobicContact CG-CB 4.06Å; F87-Q158 HydrophobicContact CG-CG 4.14Å; L106-Q158 HydrophobicContact CD1-CB 3.94Å; L106-Q158 HydrophobicContact CD2-CB 3.91Å; E154-Q158 WeakPolarHBondContact O-CG 3.4Å; E154-Q158 PolarHBondContact O-N 3.48Å; G155-Q158 PolarHBondContact O-N 3.17Å; Q158-A160 VanDerWaalsContact C-N 3.35Å; Q158-A160 PolarHBondContact O-N 2.86Å; Q158-F161 PolarHBondContact O-N 3.15Å; Q158-L162 PolarHBondContact O-N 2.93Å
159	L	93.3	Very high	87.8	Confident	11 Å²	11	32.7 Å²	32.7	6%	0.058	16%	0.156	C	C	.	.	H	α-helix	trans	-64.2	-37.4	177	-178.7	62.9	0	0	0	112.7	K103 L106 K107 L110 G155 L157 S163	K103-L159 HydrophobicContact CB-CD1 4.42Å; K103-L159 HydrophobicContact CG-CD1 3.66Å; L106-L159 HydrophobicContact CB-CB 4.37Å; L106-L159 HydrophobicContact CB-CD1 4.3Å; L106-L159 HydrophobicContact CD1-CB 4.33Å; K107-L159 HydrophobicContact CG-CD2 4.48Å; L110-L159 HydrophobicContact CD1-CB 4.4Å; L110-L159 HydrophobicContact CD1-CD2 3.45Å; L110-L159 VanDerWaalsContact CD1-CD2 3.45Å; G155-L159 VanDerWaalsContact O-CB 3.31Å; G155-L159 WeakPolarHBondContact O-CB 3.43Å; G155-L159 PolarHBondContact O-N 3.01Å; L157-L159 VanDerWaalsContact C-N 3.3Å; L157-L159 PolarHBondContact O-N 3.31Å; L159-S163 WeakPolarHBondContact O-CB 3.25Å; L159-S163 PolarHBondContact O-N 3.22Å; L159-S163 PolarHBondContact O-OG 2.93Å
160	A	89.7	Confident	86.5	Confident	2 Å²	2	38.1 Å²	38.1	2%	0.017	18%	0.184	C	C	.	.	H	α-helix	trans	-63	-45.7	175.9	0	0	0	0	0	111	L156 L157 Q158 S163 M164 C176 K179 I180	L156-A160 WeakPolarHBondContact O-CB 3.23Å; L156-A160 PolarHBondContact O-N 2.95Å; L157-A160 WeakPolarHBondContact O-CB 3.4Å; L157-A160 PolarHBondContact O-N 2.87Å; L157-A160 VanDerWaalsContact O-N 3.1Å; Q158-A160 VanDerWaalsContact C-N 3.35Å; Q158-A160 PolarHBondContact O-N 2.86Å; A160-S163 PolarHBondContact O-N 2.86Å; A160-M164 PolarHBondContact O-N 3.39Å; A160-M164 VanDerWaalsContact O-N 3.17Å; A160-C176 PolarHBondContact O-SG 3.22Å; A160-K179 HydrophobicContact CB-CB 3.81Å; A160-K179 HydrophobicContact CB-CD 4.1Å; A160-I180 HydrophobicContact CB-CG1 4.28Å
161	F	86.1	Confident	85.4	Confident	72 Å²	72	42 Å²	42	32%	0.316	21%	0.208	S	C	.	.	H	α-helix	trans	-62.9	-46.2	177.7	-81.7	-72.4	0	0	0	112.9	F87 L157 Q158 S163 M164 L165	F87-F161 HydrophobicContact CE2-CB 4.02Å; F87-F161 HydrophobicContact CZ-CB 4.28Å; L157-F161 HydrophobicContact CD1-CD2 4.1Å; L157-F161 HydrophobicContact CD1-CE2 3.62Å; L157-F161 HydrophobicContact CD2-CE2 4.46Å; L157-F161 HydrophobicContact CG-CD2 4.03Å; L157-F161 HydrophobicContact CG-CE2 3.79Å; L157-F161 VanDerWaalsContact O-CD2 3.29Å; L157-F161 WeakPolarHBondContact O-CD2 3.33Å; L157-F161 PolarHBondContact O-N 3.41Å; Q158-F161 PolarHBondContact O-N 3.15Å; F161-S163 VanDerWaalsContact C-N 3.35Å; F161-S163 PolarHBondContact O-N 3.01Å; F161-M164 HydrophobicContact CD1-CE 3.96Å; F161-M164 HydrophobicContact CE1-CE 4.38Å; F161-M164 WeakPolarHBondContact O-CB 3.28Å; F161-M164 PolarHBondContact O-N 3.23Å; F161-L165 PolarHBondContact O-N 3.43Å
162	L	87	Confident	84.2	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-61.9	-42.2	176.3	-73.8	172.1	0	0	0	112.5	F87 M91 L99 A102 L106 Q158 M164 L165 Q166	F87-L162 HydrophobicContact CB-CD1 4.49Å; F87-L162 HydrophobicContact CD2-CD1 3.68Å; F87-L162 HydrophobicContact CD2-CD2 3.94Å; F87-L162 HydrophobicContact CD2-CG 3.49Å; F87-L162 VanDerWaalsContact CD2-CG 3.49Å; F87-L162 HydrophobicContact CE2-CD1 4.46Å; F87-L162 HydrophobicContact CE2-CD2 4.22Å; F87-L162 HydrophobicContact CE2-CG 3.81Å; M91-L162 HydrophobicContact CG-CD2 4.21Å; M91-L162 HydrophobicContact SD-CD2 4.07Å; L99-L162 HydrophobicContact CD2-CD2 3.65Å; A102-L162 HydrophobicContact CB-CD1 3.66Å; L106-L162 HydrophobicContact CD1-CD1 3.46Å; L106-L162 VanDerWaalsContact CD1-CD1 3.46Å; Q158-L162 PolarHBondContact O-N 2.93Å; L162-M164 PolarHBondContact O-N 3.4Å; L162-L165 PolarHBondContact O-N 3.02Å; L162-Q166 PolarHBondContact O-N 3.39Å
163	S	84	Confident	83	Confident	17 Å²	17	44.5 Å²	44.5	12%	0.119	22%	0.224	C	C	.	.	H	α-helix	trans	-60.4	-33.4	179.3	-59	0	0	0	0	111.8	L159 A160 F161 D167 K179	L159-S163 WeakPolarHBondContact O-CB 3.25Å; L159-S163 PolarHBondContact O-N 3.22Å; L159-S163 PolarHBondContact O-OG 2.93Å; A160-S163 PolarHBondContact O-N 2.86Å; F161-S163 VanDerWaalsContact C-N 3.35Å; F161-S163 PolarHBondContact O-N 3.01Å; S163-D167 PolarHBondContact O-N 3.08Å; S163-K179 PolarHBondContact OG-NZ 2.94Å
164	M	78.2	Confident	82.1	Confident	71 Å²	71	49 Å²	49	35%	0.35	25%	0.247	S	C	.	.	H	α-helix	trans	-72.4	-36.6	178.1	-177.9	179.5	64.3	0	0	112.7	A160 F161 L162	A160-M164 PolarHBondContact O-N 3.39Å; A160-M164 VanDerWaalsContact O-N 3.17Å; F161-M164 HydrophobicContact CD1-CE 3.96Å; F161-M164 HydrophobicContact CE1-CE 4.38Å; F161-M164 WeakPolarHBondContact O-CB 3.28Å; F161-M164 PolarHBondContact O-N 3.23Å; L162-M164 PolarHBondContact O-N 3.4Å
165	L	75.1	Confident	81.3	Confident	32 Å²	32	55.1 Å²	55.1	17%	0.168	27%	0.273	C	S	.	.	H	α-helix	trans	-71.9	-34.8	-179.9	-74.9	-175.2	0	0	0	113.1	M91 F161 L162	M91-L165 HydrophobicContact CE-CD1 3.51Å; M91-L165 HydrophobicContact SD-CD1 3.23Å; M91-L165 WeakPolarHBondContact SD-CD1 3.4Å; M91-L165 HydrophobicContact SD-CG 4.35Å; F161-L165 PolarHBondContact O-N 3.43Å; L162-L165 PolarHBondContact O-N 3.02Å
166	Q	75.1	Confident	80.5	Confident	38 Å²	38	55.4 Å²	55.4	18%	0.178	28%	0.275	C	S	.	.	H	α-helix	trans	-81.9	-34.1	-172.8	-167	-179.3	36.3	0	0	113.5	Q96 E100 L162	Q96-Q166 VanDerWaalsContact CD-NE2 3.28Å; Q96-Q166 VanDerWaalsContact OE1-NE2 3.09Å; E100-Q166 PolarHBondContact OE1-NE2 2.88Å; E100-Q166 PolarHBondContact OE1-OE1 3.28Å; L162-Q166 PolarHBondContact O-N 3.39Å
167	D	71.6	Confident	79.8	Confident	56 Å²	56	57.8 Å²	57.8	30%	0.299	29%	0.292	S	S	.	.			trans	-104.2	115	-171.7	-169.4	-4.9	0	0	0	111.2	S163 K169 S172	S163-D167 PolarHBondContact O-N 3.08Å; D167-K169 PolarHBondContact O-N 3.42Å; D167-K169 VanDerWaalsContact OD1-CB 3.25Å; D167-K169 WeakPolarHBondContact OD1-CB 3.2Å; D167-K169 WeakPolarHBondContact OD1-CD 3.38Å; D167-K169 VanDerWaalsContact OD1-CG 3.23Å; D167-K169 WeakPolarHBondContact OD1-CG 3.34Å; D167-K169 PolarHBondContact OD1-N 2.63Å; D167-S172 VanDerWaalsContact CB-CB 3.5Å; D167-S172 PolarHBondContact O-OG 3.5Å; D167-S172 VanDerWaalsContact O-OG 3.13Å; D167-S172 WeakPolarHBondContact OD2-CB 3.05Å
168	E	69.1	Low	79.4	Confident	127 Å²	127	60.9 Å²	60.9	59%	0.593	31%	0.309	S	S	*	.			trans	-71.5	-8	179	-54.9	-170.6	166	0	0	113.3	R435 G437 G438	E168-R435 WeakPolarHBondContact CG-O 3.25Å; E168-G437 CarbonylContact O-C 3.57Å; E168-G438 WeakPolarHBondContact O-CA 3.33Å; E168-G438 PolarHBondContact O-N 3.27Å
169	K	73.8	Confident	79	Confident	136 Å²	136	62.2 Å²	62.2	59%	0.591	31%	0.314	S	S	*	.	S	Bend	trans	-83.3	143.9	-173.8	-62.2	170.9	-174.4	172.3	0	112.5	D167 T171 S172	D167-K169 PolarHBondContact O-N 3.42Å; D167-K169 VanDerWaalsContact OD1-CB 3.25Å; D167-K169 WeakPolarHBondContact OD1-CB 3.2Å; D167-K169 WeakPolarHBondContact OD1-CD 3.38Å; D167-K169 VanDerWaalsContact OD1-CG 3.23Å; D167-K169 WeakPolarHBondContact OD1-CG 3.34Å; D167-K169 PolarHBondContact OD1-N 2.63Å; K169-T171 WeakPolarHBondContact CB-OG1 3.33Å; K169-T171 PolarHBondContact O-N 2.64Å; K169-T171 VanDerWaalsContact O-N 3.14Å; K169-S172 WeakPolarHBondContact O-CB 3.47Å; K169-S172 PolarHBondContact O-N 2.71Å; K169-S172 PolarHBondContact O-OG 3.4Å
170	L	66.9	Low	78.7	Confident	119 Å²	119	64.6 Å²	64.6	62%	0.623	33%	0.326	S	S	*	.	H	α-helix	trans	-58.8	-28.6	173.4	-175.5	64.2	0	0	0	113.2	S172 L173 I174	L170-S172 PolarHBondContact O-N 2.94Å; L170-L173 HydrophobicContact CD1-CB 4.48Å; L170-L173 HydrophobicContact CD1-CD1 4.45Å; L170-L173 WeakPolarHBondContact O-CB 3.49Å; L170-L173 PolarHBondContact O-N 3.11Å; L170-I174 PolarHBondContact O-N 3.01Å
171	T	73.9	Confident	78.5	Confident	81 Å²	81	69.7 Å²	69.7	50%	0.497	35%	0.345	S	S	.	.	H	α-helix	trans	-62.3	-30.8	176.7	49.1	0	0	0	0	112.9	K169 I174 K175	K169-T171 WeakPolarHBondContact CB-OG1 3.33Å; K169-T171 PolarHBondContact O-N 2.64Å; K169-T171 VanDerWaalsContact O-N 3.14Å; T171-I174 PolarHBondContact O-N 3.03Å; T171-K175 WeakPolarHBondContact O-CG 3.5Å; T171-K175 PolarHBondContact O-N 3.15Å; T171-K175 VanDerWaalsContact O-N 3.15Å
172	S	71.9	Confident	78.7	Confident	5 Å²	5	69.6 Å²	69.6	4%	0.035	35%	0.346	C	S	.	.	H	α-helix	trans	-66.1	-41.4	176.2	76.4	0	0	0	0	110.7	D167 K169 L170 I174 K175 C176	D167-S172 VanDerWaalsContact CB-CB 3.5Å; D167-S172 PolarHBondContact O-OG 3.5Å; D167-S172 VanDerWaalsContact O-OG 3.13Å; D167-S172 WeakPolarHBondContact OD2-CB 3.05Å; K169-S172 WeakPolarHBondContact O-CB 3.47Å; K169-S172 PolarHBondContact O-N 2.71Å; K169-S172 PolarHBondContact O-OG 3.4Å; L170-S172 PolarHBondContact O-N 2.94Å; S172-I174 VanDerWaalsContact C-N 3.32Å; S172-I174 PolarHBondContact O-N 3.07Å; S172-K175 PolarHBondContact O-N 3.26Å; S172-K175 VanDerWaalsContact O-N 3.16Å; S172-C176 WeakPolarHBondContact O-CB 3.39Å; S172-C176 PolarHBondContact O-N 2.77Å; S172-C176 PolarHBondContact O-SG 3.44Å
173	L	73.4	Confident	78.9	Confident	80 Å²	80	69.5 Å²	69.5	42%	0.419	35%	0.345	S	S	.	.	H	α-helix	trans	-59.1	-42.7	178.4	-169	155.2	0	0	0	111.5	L170 C176 S177	L170-L173 HydrophobicContact CD1-CB 4.48Å; L170-L173 HydrophobicContact CD1-CD1 4.45Å; L170-L173 WeakPolarHBondContact O-CB 3.49Å; L170-L173 PolarHBondContact O-N 3.11Å; L173-C176 PolarHBondContact O-N 3.19Å; L173-S177 PolarHBondContact O-N 2.91Å
174	I	76.3	Confident	79	Confident	95 Å²	95	69 Å²	69	49%	0.487	34%	0.341	S	S	.	.	H	α-helix	trans	-65.4	-45.2	175.9	-60.6	172.1	0	0	0	111	L170 T171 S172 C176 S177 L178	L170-I174 PolarHBondContact O-N 3.01Å; T171-I174 PolarHBondContact O-N 3.03Å; S172-I174 VanDerWaalsContact C-N 3.32Å; S172-I174 PolarHBondContact O-N 3.07Å; I174-C176 VanDerWaalsContact C-N 3.26Å; I174-C176 PolarHBondContact O-N 2.9Å; I174-S177 PolarHBondContact O-N 3.12Å; I174-S177 PolarHBondContact O-OG 3.39Å; I174-L178 WeakPolarHBondContact O-CG 3.44Å; I174-L178 PolarHBondContact O-N 2.97Å; I174-L178 VanDerWaalsContact O-N 3.17Å
175	K	80	Confident	79.6	Confident	142 Å²	142	70.1 Å²	70.1	62%	0.617	34%	0.344	S	S	*	.	H	α-helix	trans	-61.7	-37.6	176.3	-71.7	-179.6	177.9	-174.8	0	111.5	T171 S172 K179	T171-K175 WeakPolarHBondContact O-CG 3.5Å; T171-K175 PolarHBondContact O-N 3.15Å; T171-K175 VanDerWaalsContact O-N 3.15Å; S172-K175 PolarHBondContact O-N 3.26Å; S172-K175 VanDerWaalsContact O-N 3.16Å; K175-K179 WeakPolarHBondContact O-CG 3.25Å; K175-K179 PolarHBondContact O-N 3.22Å; K175-K179 VanDerWaalsContact O-N 3.14Å
176	C	81.1	Confident	80.4	Confident	6 Å²	6	68.6 Å²	68.6	4%	0.041	34%	0.336	C	S	.	.	H	α-helix	trans	-67.2	-42.6	177.6	-65	0	0	0	0	111.7	A160 S172 L173 I174 L178 K179 I180	A160-C176 PolarHBondContact O-SG 3.22Å; S172-C176 WeakPolarHBondContact O-CB 3.39Å; S172-C176 PolarHBondContact O-N 2.77Å; S172-C176 PolarHBondContact O-SG 3.44Å; L173-C176 PolarHBondContact O-N 3.19Å; I174-C176 VanDerWaalsContact C-N 3.26Å; I174-C176 PolarHBondContact O-N 2.9Å; C176-L178 VanDerWaalsContact C-N 3.31Å; C176-L178 PolarHBondContact O-N 3.43Å; C176-K179 PolarHBondContact O-N 3.46Å; C176-K179 VanDerWaalsContact O-N 3.17Å; C176-I180 VanDerWaalsContact O-CG1 3.29Å; C176-I180 WeakPolarHBondContact O-CG1 3.5Å; C176-I180 PolarHBondContact O-N 3.25Å
177	S	80.7	Confident	81.2	Confident	60 Å²	60	67 Å²	67	42%	0.42	33%	0.328	S	S	.	.	H	α-helix	trans	-63	-37.6	177.7	67.2	0	0	0	0	112.4	L173 I174 I180 R181	L173-S177 PolarHBondContact O-N 2.91Å; I174-S177 PolarHBondContact O-N 3.12Å; I174-S177 PolarHBondContact O-OG 3.39Å; S177-I180 PolarHBondContact O-N 2.73Å; S177-R181 PolarHBondContact O-N 3.12Å
178	L	84.9	Confident	82.1	Confident	100 Å²	100	66 Å²	66	52%	0.524	32%	0.32	S	S	.	.	H	α-helix	trans	-63.3	-42.4	172.9	-67.2	175.5	0	0	0	112.3	I174 C176 R181 Q182	I174-L178 WeakPolarHBondContact O-CG 3.44Å; I174-L178 PolarHBondContact O-N 2.97Å; I174-L178 VanDerWaalsContact O-N 3.17Å; C176-L178 VanDerWaalsContact C-N 3.31Å; C176-L178 PolarHBondContact O-N 3.43Å; L178-R181 PolarHBondContact O-N 2.94Å; L178-Q182 PolarHBondContact O-N 3.28Å
179	K	86.6	Confident	83.1	Confident	54 Å²	54	62.1 Å²	62.1	24%	0.235	30%	0.303	C	S	.	.	H	α-helix	trans	-65.1	-40.7	175.7	-70.7	179.5	-178	177.9	0	112.3	L156 A160 S163 K175 C176 R181 Q182 C183	L156-K179 HydrophobicContact CD1-CB 4.15Å; L156-K179 HydrophobicContact CD1-CD 4.13Å; L156-K179 HydrophobicContact CD1-CG 3.98Å; L156-K179 HydrophobicContact CG-CB 4.3Å; A160-K179 HydrophobicContact CB-CB 3.81Å; A160-K179 HydrophobicContact CB-CD 4.1Å; S163-K179 PolarHBondContact OG-NZ 2.94Å; K175-K179 WeakPolarHBondContact O-CG 3.25Å; K175-K179 PolarHBondContact O-N 3.22Å; K175-K179 VanDerWaalsContact O-N 3.14Å; C176-K179 PolarHBondContact O-N 3.46Å; C176-K179 VanDerWaalsContact O-N 3.17Å; K179-R181 VanDerWaalsContact C-N 3.34Å; K179-Q182 PolarHBondContact O-N 3.29Å; K179-C183 WeakPolarHBondContact O-CB 3.19Å; K179-C183 PolarHBondContact O-N 3.48Å
180	I	86.5	Confident	84.2	Confident	61 Å²	61	55.7 Å²	55.7	31%	0.313	28%	0.275	S	S	.	.	H	α-helix	trans	-62.1	-43.2	175.8	-68.5	167.7	0	0	0	110.2	L157 A160 C176 S177 Q182 C183 Y184 F219	L157-I180 HydrophobicContact CD1-CG1 4.42Å; A160-I180 HydrophobicContact CB-CG1 4.28Å; C176-I180 VanDerWaalsContact O-CG1 3.29Å; C176-I180 WeakPolarHBondContact O-CG1 3.5Å; C176-I180 PolarHBondContact O-N 3.25Å; S177-I180 PolarHBondContact O-N 2.73Å; I180-Q182 VanDerWaalsContact C-N 3.32Å; I180-Q182 PolarHBondContact O-N 3.49Å; I180-C183 WeakPolarHBondContact O-CB 3.47Å; I180-C183 PolarHBondContact O-N 3.07Å; I180-Y184 PolarHBondContact O-N 3.17Å; I180-F219 HydrophobicContact CG2-CE1 3.85Å; I180-F219 HydrophobicContact CG2-CZ 4.4Å
181	R	86.2	Confident	85.4	Confident	109 Å²	109	52.3 Å²	52.3	41%	0.411	25%	0.254	S	S	.	.	H	α-helix	trans	-58.8	-43.4	173.2	172.4	165.5	-169.3	-154.7	2.1	112	S177 L178 K179 Y184 K185 F239	S177-R181 PolarHBondContact O-N 3.12Å; L178-R181 PolarHBondContact O-N 2.94Å; K179-R181 VanDerWaalsContact C-N 3.34Å; R181-Y184 PolarHBondContact O-N 3.39Å; R181-K185 WeakPolarHBondContact O-CG 3.46Å; R181-K185 PolarHBondContact O-N 3.14Å; R181-K185 VanDerWaalsContact O-N 3.1Å; R181-F239 HydrophobicContact CB-CE2 4.41Å; R181-F239 HydrophobicContact CB-CZ 3.73Å; R181-F239 HydrophobicContact CG-CE2 4.35Å; R181-F239 HydrophobicContact CG-CZ 3.7Å
182	Q	89.6	Confident	86.2	Confident	70 Å²	70	51.1 Å²	51.1	33%	0.327	24%	0.24	S	C	.	.	H	α-helix	trans	-66.7	-40.7	177.9	-177.7	58	34	0	0	112.3	L156 L178 K179 I180 Y184 K185 C186	L156-Q182 HydrophobicContact CD2-CB 3.81Å; L156-Q182 HydrophobicContact CD2-CG 3.62Å; L178-Q182 PolarHBondContact O-N 3.28Å; K179-Q182 PolarHBondContact O-N 3.29Å; I180-Q182 VanDerWaalsContact C-N 3.32Å; I180-Q182 PolarHBondContact O-N 3.49Å; Q182-Y184 PolarHBondContact O-N 3.31Å; Q182-K185 WeakPolarHBondContact O-CB 3.47Å; Q182-K185 PolarHBondContact O-N 3.48Å; Q182-C186 PolarHBondContact O-N 3.37Å; Q182-C186 PolarHBondContact O-SG 3.26Å
183	C	91.2	Very high	87.2	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.1	-46.4	175	178.6	0	0	0	0	111.3	A153 L156 K179 I180 K185 C186 Y187 F219	A153-C183 PolarHBondContact O-SG 2.89Å; L156-C183 HydrophobicContact CD2-CB 4.43Å; K179-C183 WeakPolarHBondContact O-CB 3.19Å; K179-C183 PolarHBondContact O-N 3.48Å; I180-C183 WeakPolarHBondContact O-CB 3.47Å; I180-C183 PolarHBondContact O-N 3.07Å; C183-K185 VanDerWaalsContact C-N 3.35Å; C183-K185 PolarHBondContact O-N 3.2Å; C183-C186 WeakPolarHBondContact O-CB 3.49Å; C183-C186 PolarHBondContact O-N 2.86Å; C183-C186 VanDerWaalsContact O-N 3.14Å; C183-Y187 WeakPolarHBondContact O-CD2 3.42Å; C183-Y187 PolarHBondContact O-N 3.19Å; C183-Y187 VanDerWaalsContact SG-CE2 3.5Å; C183-F219 HydrophobicContact CB-CE2 4.46Å; C183-F219 HydrophobicContact CB-CZ 3.99Å; C183-F219 VanDerWaalsContact SG-CE2 3.53Å; C183-F219 VanDerWaalsContact SG-CZ 3.6Å
184	Y	88	Confident	88.2	Confident	6 Å²	6	48.5 Å²	48.5	2%	0.024	23%	0.226	C	C	.	.	H	α-helix	trans	-57.4	-45.8	174.5	-179.2	-102.8	0	0	0	112.1	I180 R181 Q182 C186 Y187 R188 F219 F239 F723	I180-Y184 PolarHBondContact O-N 3.17Å; R181-Y184 PolarHBondContact O-N 3.39Å; Q182-Y184 PolarHBondContact O-N 3.31Å; Y184-C186 VanDerWaalsContact C-N 3.32Å; Y184-C186 PolarHBondContact O-N 3.48Å; Y184-Y187 PolarHBondContact O-N 2.86Å; Y184-R188 HydrophobicContact CD1-CG 4.35Å; Y184-R188 HydrophobicContact CE1-CG 4.15Å; Y184-R188 WeakPolarHBondContact O-CG 3.46Å; Y184-R188 PolarHBondContact O-N 2.99Å; Y184-F219 HydrophobicContact CD2-CB 4.24Å; Y184-F219 AromaticContact CD2-CD1 3.89Å; Y184-F219 HydrophobicContact CD2-CD1 3.89Å; Y184-F219 HydrophobicContact CD2-CE1 4.41Å; Y184-F219 HydrophobicContact CD2-CG 4Å; Y184-F239 AromaticContact CD1-CD1 3.7Å; Y184-F239 HydrophobicContact CD1-CD1 3.7Å; Y184-F239 AromaticContact CD1-CE1 3.3Å; Y184-F239 HydrophobicContact CD1-CE1 3.3Å; Y184-F239 HydrophobicContact CD1-CZ 4.42Å; Y184-F239 HydrophobicContact CD2-CD1 4.35Å; Y184-F239 HydrophobicContact CD2-CE1 4.33Å; Y184-F239 AromaticContact CE1-CD1 3.74Å; Y184-F239 HydrophobicContact CE1-CD1 3.74Å; Y184-F239 AromaticContact CE1-CE1 3.83Å; Y184-F239 HydrophobicContact CE1-CE1 3.83Å; Y184-F239 HydrophobicContact CE2-CD1 4.43Å; Y184-F239 AromaticContact CG-CD1 3.98Å; Y184-F239 HydrophobicContact CG-CD1 3.98Å; Y184-F239 AromaticContact CG-CE1 3.57Å; Y184-F239 HydrophobicContact CG-CE1 3.57Å; Y184-F723 AromaticContact CE2-CE2 3.94Å; Y184-F723 HydrophobicContact CE2-CE2 3.94Å; Y184-F723 HydrophobicContact CE2-CZ 4.02Å
185	K	88.8	Confident	88.9	Confident	96 Å²	96	48.2 Å²	48.2	42%	0.417	22%	0.221	S	C	.	.	H	α-helix	trans	-57.7	-43.3	175.2	-72.2	-176.5	177.6	-168.9	0	112.2	R181 Q182 C183 R188 I189	R181-K185 WeakPolarHBondContact O-CG 3.46Å; R181-K185 PolarHBondContact O-N 3.14Å; R181-K185 VanDerWaalsContact O-N 3.1Å; Q182-K185 WeakPolarHBondContact O-CB 3.47Å; Q182-K185 PolarHBondContact O-N 3.48Å; C183-K185 VanDerWaalsContact C-N 3.35Å; C183-K185 PolarHBondContact O-N 3.2Å; K185-R188 WeakPolarHBondContact O-CB 3.49Å; K185-R188 PolarHBondContact O-N 3.37Å; K185-I189 PolarHBondContact O-N 3.35Å; K185-I189 VanDerWaalsContact O-N 3.13Å
186	C	92	Very high	89.3	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.9	-43.4	176	-70	0	0	0	0	111.7	A153 Q182 C183 Y184 R188 I189 C190	A153-C186 HydrophobicContact CB-CB 3.6Å; Q182-C186 PolarHBondContact O-N 3.37Å; Q182-C186 PolarHBondContact O-SG 3.26Å; C183-C186 WeakPolarHBondContact O-CB 3.49Å; C183-C186 PolarHBondContact O-N 2.86Å; C183-C186 VanDerWaalsContact O-N 3.14Å; Y184-C186 VanDerWaalsContact C-N 3.32Å; Y184-C186 PolarHBondContact O-N 3.48Å; C186-R188 VanDerWaalsContact C-N 3.29Å; C186-R188 PolarHBondContact O-N 2.87Å; C186-I189 WeakPolarHBondContact O-CB 3.19Å; C186-I189 PolarHBondContact O-N 3.03Å; C186-I189 VanDerWaalsContact O-N 3.14Å; C186-C190 PolarHBondContact O-N 3.35Å; C186-C190 PolarHBondContact O-SG 3.4Å
187	Y	93.6	Very high	89.7	Confident	5 Å²	5	43.7 Å²	43.7	2%	0.02	20%	0.2	C	C	.	.	H	α-helix	trans	-63.6	-32.5	175.7	-82.9	-63	0	0	0	113.5	L150 A153 E154 C183 Y184 C190 W191 G215 F219	L150-Y187 HydrophobicContact CD1-CD1 4.32Å; L150-Y187 HydrophobicContact CD1-CE1 3.61Å; A153-Y187 HydrophobicContact CB-CD2 4.08Å; A153-Y187 HydrophobicContact CB-CE1 4.35Å; A153-Y187 HydrophobicContact CB-CE2 3.87Å; A153-Y187 HydrophobicContact CB-CG 4.44Å; E154-Y187 WeakPolarHBondContact CG-OH 3.47Å; C183-Y187 WeakPolarHBondContact O-CD2 3.42Å; C183-Y187 PolarHBondContact O-N 3.19Å; C183-Y187 VanDerWaalsContact SG-CE2 3.5Å; Y184-Y187 PolarHBondContact O-N 2.86Å; Y187-C190 PolarHBondContact O-N 3.32Å; Y187-W191 WeakPolarHBondContact O-CB 3.47Å; Y187-W191 PolarHBondContact O-N 3.1Å; Y187-G215 VanDerWaalsContact CE1-CA 3.46Å; Y187-G215 VanDerWaalsContact CZ-CA 3.41Å; Y187-F219 AromaticContact CD2-CD2 3.81Å; Y187-F219 HydrophobicContact CD2-CD2 3.81Å; Y187-F219 AromaticContact CD2-CE2 3.51Å; Y187-F219 HydrophobicContact CD2-CE2 3.51Å; Y187-F219 HydrophobicContact CE2-CD2 4.19Å; Y187-F219 AromaticContact CE2-CE2 3.72Å; Y187-F219 HydrophobicContact CE2-CE2 3.72Å
188	R	89.6	Confident	90	Very high	35 Å²	35	47.4 Å²	47.4	13%	0.132	22%	0.215	C	C	.	.	H	α-helix	trans	-64.9	-40.9	172.1	-66.1	-176.1	74.4	-166.3	11.6	112.6	Y184 K185 C186 C190 W191 R192 F722 F723 L728	Y184-R188 HydrophobicContact CD1-CG 4.35Å; Y184-R188 HydrophobicContact CE1-CG 4.15Å; Y184-R188 WeakPolarHBondContact O-CG 3.46Å; Y184-R188 PolarHBondContact O-N 2.99Å; K185-R188 WeakPolarHBondContact O-CB 3.49Å; K185-R188 PolarHBondContact O-N 3.37Å; C186-R188 VanDerWaalsContact C-N 3.29Å; C186-R188 PolarHBondContact O-N 2.87Å; R188-C190 VanDerWaalsContact C-N 3.32Å; R188-W191 PolarHBondContact O-N 3.37Å; R188-R192 WeakPolarHBondContact O-CG 3.31Å; R188-R192 PolarHBondContact O-N 3.1Å; R188-R192 VanDerWaalsContact O-N 3.13Å; R188-F722 VanDerWaalsContact CZ-CD1 3.4Å; R188-F722 VanDerWaalsContact NH2-CD1 3.27Å; R188-F723 HydrophobicContact CG-CE1 4.04Å; R188-F723 HydrophobicContact CG-CZ 4.1Å; R188-L728 VanDerWaalsContact NH2-CD2 3.35Å
189	I	91.2	Very high	90.3	Very high	45 Å²	45	43.9 Å²	43.9	23%	0.231	20%	0.195	C	C	.	.	H	α-helix	trans	-61.2	-46.9	172.9	-65.4	168.5	0	0	0	109.1	E149 K185 C186 W191 R192 I193	E149-I189 HydrophobicContact CG-CG2 4.4Å; K185-I189 PolarHBondContact O-N 3.35Å; K185-I189 VanDerWaalsContact O-N 3.13Å; C186-I189 WeakPolarHBondContact O-CB 3.19Å; C186-I189 PolarHBondContact O-N 3.03Å; C186-I189 VanDerWaalsContact O-N 3.14Å; I189-W191 VanDerWaalsContact C-N 3.33Å; I189-W191 PolarHBondContact O-N 3.31Å; I189-R192 PolarHBondContact O-N 2.96Å; I189-R192 VanDerWaalsContact O-N 3.16Å; I189-I193 HydrophobicContact CG2-CD1 3.82Å; I189-I193 HydrophobicContact CG2-CG1 4.34Å; I189-I193 WeakPolarHBondContact O-CG1 3.31Å; I189-I193 PolarHBondContact O-N 3.23Å
190	C	95	Very high	90.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-39.4	179.7	-59.2	0	0	0	0	112.6	C186 Y187 R188 R192 I193 L194 F208 V212	C186-C190 PolarHBondContact O-N 3.35Å; C186-C190 PolarHBondContact O-SG 3.4Å; Y187-C190 PolarHBondContact O-N 3.32Å; R188-C190 VanDerWaalsContact C-N 3.32Å; C190-R192 VanDerWaalsContact C-N 3.35Å; C190-R192 PolarHBondContact O-N 3.41Å; C190-I193 PolarHBondContact O-N 3.03Å; C190-L194 PolarHBondContact O-N 3.45Å; C190-F208 HydrophobicContact CB-CE1 4.47Å; C190-F208 HydrophobicContact CB-CE2 4.38Å; C190-F208 HydrophobicContact CB-CZ 3.74Å; C190-F208 WeakPolarHBondContact O-CE1 3.25Å; C190-V212 HydrophobicContact CB-CG2 3.71Å
191	W	93.5	Very high	90.6	Very high	48 Å²	48	48.4 Å²	48.4	18%	0.182	22%	0.217	C	C	.	.	H	α-helix	trans	-58.7	-44.8	173.9	-174.2	-97.5	0	0	0	112.1	Y187 R188 I189 L194 K195 V212 V216 F245 Q249 F723	Y187-W191 WeakPolarHBondContact O-CB 3.47Å; Y187-W191 PolarHBondContact O-N 3.1Å; R188-W191 PolarHBondContact O-N 3.37Å; I189-W191 VanDerWaalsContact C-N 3.33Å; I189-W191 PolarHBondContact O-N 3.31Å; W191-L194 PolarHBondContact O-N 2.95Å; W191-K195 PolarHBondContact O-N 2.95Å; W191-K195 VanDerWaalsContact O-N 3.07Å; W191-V212 HydrophobicContact CB-CG1 4.42Å; W191-V212 HydrophobicContact CD2-CG1 4.45Å; W191-V212 HydrophobicContact CE3-CG1 3.51Å; W191-V212 HydrophobicContact CZ3-CG1 4.16Å; W191-V216 HydrophobicContact CD2-CG2 4.49Å; W191-V216 HydrophobicContact CE3-CB 4.09Å; W191-V216 HydrophobicContact CE3-CG1 3.95Å; W191-V216 HydrophobicContact CE3-CG2 3.76Å; W191-V216 HydrophobicContact CZ3-CB 4.27Å; W191-V216 HydrophobicContact CZ3-CG1 3.98Å; W191-V216 HydrophobicContact CZ3-CG2 4.43Å; W191-F245 HydrophobicContact CH2-CE2 4.17Å; W191-F245 AromaticContact CH2-CZ 3.63Å; W191-F245 HydrophobicContact CH2-CZ 3.63Å; W191-F245 HydrophobicContact CZ2-CE2 4.27Å; W191-F245 AromaticContact CZ2-CZ 3.75Å; W191-F245 HydrophobicContact CZ2-CZ 3.75Å; W191-F245 HydrophobicContact CZ3-CZ 4.33Å; W191-Q249 HydrophobicContact CH2-CG 4.3Å; W191-Q249 HydrophobicContact CZ3-CG 4.32Å; W191-F723 HydrophobicContact CB-CD1 4.3Å; W191-F723 HydrophobicContact CB-CE1 4.12Å; W191-F723 AromaticContact CD1-CD1 3.78Å; W191-F723 AromaticContact CD2-CD1 3.98Å; W191-F723 HydrophobicContact CD2-CD1 3.98Å; W191-F723 HydrophobicContact CD2-CE1 4.41Å; W191-F723 AromaticContact CG-CD1 3.76Å; W191-F723 HydrophobicContact CG-CD1 3.76Å; W191-F723 HydrophobicContact CG-CE1 4.06Å; W191-F723 AromaticContact NE1-CD1 3.97Å
192	R	91.1	Very high	90.8	Very high	57 Å²	57	49.4 Å²	49.4	22%	0.215	23%	0.226	C	C	.	.	H	α-helix	trans	-68.9	-37.1	177.3	-66.9	177	-179.7	172.2	-9.5	112.3	Y138 R188 I189 C190 K195 Y196 L728	Y138-R192 HydrophobicContact CD1-CB 4Å; Y138-R192 HydrophobicContact CD2-CB 4.03Å; Y138-R192 HydrophobicContact CE1-CB 3.67Å; Y138-R192 HydrophobicContact CE2-CB 3.74Å; Y138-R192 HydrophobicContact CE2-CG 4.31Å; Y138-R192 HydrophobicContact CG-CB 4.2Å; Y138-R192 WeakPolarHBondContact OH-CD 3.44Å; Y138-R192 PolarHBondContact OH-NH1 3.45Å; Y138-R192 VanDerWaalsContact OH-NH1 3.14Å; R188-R192 WeakPolarHBondContact O-CG 3.31Å; R188-R192 PolarHBondContact O-N 3.1Å; R188-R192 VanDerWaalsContact O-N 3.13Å; I189-R192 PolarHBondContact O-N 2.96Å; I189-R192 VanDerWaalsContact O-N 3.16Å; C190-R192 VanDerWaalsContact C-N 3.35Å; C190-R192 PolarHBondContact O-N 3.41Å; R192-K195 PolarHBondContact O-N 2.73Å; R192-Y196 HydrophobicContact CB-CD2 4.21Å; R192-Y196 HydrophobicContact CB-CE2 4.46Å; R192-Y196 WeakPolarHBondContact O-CB 3.4Å; R192-Y196 VanDerWaalsContact O-CD2 3.24Å; R192-Y196 WeakPolarHBondContact O-CD2 3.25Å; R192-Y196 PolarHBondContact O-N 3.23Å; R192-L728 VanDerWaalsContact NH2-CD1 3.26Å
193	I	93	Very high	91	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60	-48.4	172.1	-67	168.4	0	0	0	109.8	Y138 Y141 A146 I189 C190 K195 Y196 R197 W199 F208	Y138-I193 HydrophobicContact CD1-CG1 3.9Å; Y141-I193 HydrophobicContact CD1-CD1 3.67Å; Y141-I193 HydrophobicContact CD1-CG1 4.45Å; Y141-I193 HydrophobicContact CD2-CD1 4.25Å; Y141-I193 HydrophobicContact CD2-CG1 4.21Å; Y141-I193 HydrophobicContact CE1-CD1 3.73Å; Y141-I193 HydrophobicContact CE2-CD1 4.3Å; Y141-I193 HydrophobicContact CE2-CG1 4.4Å; Y141-I193 HydrophobicContact CG-CD1 3.95Å; Y141-I193 HydrophobicContact CG-CG1 4.24Å; A146-I193 HydrophobicContact CB-CD1 4.31Å; A146-I193 HydrophobicContact CB-CG2 3.86Å; I189-I193 HydrophobicContact CG2-CD1 3.82Å; I189-I193 HydrophobicContact CG2-CG1 4.34Å; I189-I193 WeakPolarHBondContact O-CG1 3.31Å; I189-I193 PolarHBondContact O-N 3.23Å; C190-I193 PolarHBondContact O-N 3.03Å; I193-K195 VanDerWaalsContact C-N 3.29Å; I193-K195 PolarHBondContact O-N 2.86Å; I193-Y196 PolarHBondContact O-N 2.83Å; I193-R197 HydrophobicContact CG2-CB 4.14Å; I193-R197 WeakPolarHBondContact O-CB 3.36Å; I193-R197 PolarHBondContact O-N 3.25Å; I193-W199 HydrophobicContact CG2-CZ2 4.02Å; I193-F208 HydrophobicContact CB-CE1 4.15Å; I193-F208 HydrophobicContact CB-CZ 3.99Å; I193-F208 HydrophobicContact CD1-CZ 4.48Å; I193-F208 HydrophobicContact CG2-CE1 3.9Å; I193-F208 HydrophobicContact CG2-CZ 3.83Å
194	L	94	Very high	91.1	Very high	29 Å²	29	51.2 Å²	51.2	15%	0.152	24%	0.237	C	C	.	.	H	α-helix	trans	-56.9	-43.2	178.6	179.6	61.6	0	0	0	111.9	C190 W191 F208 E209 V212	C190-L194 PolarHBondContact O-N 3.45Å; W191-L194 PolarHBondContact O-N 2.95Å; L194-F208 HydrophobicContact CB-CD1 4.45Å; L194-F208 HydrophobicContact CB-CE1 4.06Å; L194-F208 HydrophobicContact CD1-CD1 4.43Å; L194-E209 HydrophobicContact CD1-CB 3.66Å; L194-E209 HydrophobicContact CD1-CG 3.82Å; L194-E209 HydrophobicContact CD2-CB 4.41Å; L194-E209 HydrophobicContact CD2-CG 4.03Å; L194-V212 HydrophobicContact CB-CG1 4.49Å; L194-V212 HydrophobicContact CD2-CB 4.04Å; L194-V212 HydrophobicContact CD2-CG1 3.78Å
195	K	89.8	Confident	91.5	Very high	90 Å²	90	53.8 Å²	53.8	39%	0.391	25%	0.248	S	C	.	.	H	α-helix	trans	-72.1	-43	-177	-172.8	172.9	-177.5	174.8	0	113.9	W191 R192 I193 E725	W191-K195 PolarHBondContact O-N 2.95Å; W191-K195 VanDerWaalsContact O-N 3.07Å; R192-K195 PolarHBondContact O-N 2.73Å; I193-K195 VanDerWaalsContact C-N 3.29Å; I193-K195 PolarHBondContact O-N 2.86Å; K195-E725 IonicContact NZ-OE1 2.8Å; K195-E725 PolarHBondContact NZ-OE1 3.08Å
196	Y	88.9	Confident	91.8	Very high	25 Å²	25	51 Å²	51	10%	0.098	24%	0.241	C	C	.	.	H	α-helix	trans	-107.8	-11.3	-165.7	-63	-58.8	0	0	0	114.7	R134 N135 Y138 R192 I193	R134-Y196 HydrophobicContact CB-CD2 4.26Å; R134-Y196 HydrophobicContact CB-CE2 4.28Å; R134-Y196 HydrophobicContact CB-CG 4.49Å; R134-Y196 PolarHBondContact NH1-OH 3.23Å; N135-Y196 WeakPolarHBondContact OD1-CB 3.49Å; N135-Y196 WeakPolarHBondContact OD1-CD1 3.34Å; Y138-Y196 AromaticContact CD2-CD2 3.76Å; Y138-Y196 HydrophobicContact CD2-CD2 3.76Å; Y138-Y196 HydrophobicContact CD2-CG 4.4Å; Y138-Y196 HydrophobicContact CE2-CD2 4.3Å; R192-Y196 HydrophobicContact CB-CD2 4.21Å; R192-Y196 HydrophobicContact CB-CE2 4.46Å; R192-Y196 WeakPolarHBondContact O-CB 3.4Å; R192-Y196 VanDerWaalsContact O-CD2 3.24Å; R192-Y196 WeakPolarHBondContact O-CD2 3.25Å; R192-Y196 PolarHBondContact O-N 3.23Å; I193-Y196 PolarHBondContact O-N 2.83Å
197	R	89.6	Confident	92	Very high	27 Å²	27	51.1 Å²	51.1	10%	0.102	24%	0.241	C	C	.	.			trans	-87.4	136	-179.8	-172.1	176.4	-177.4	-86.6	-8.6	111.2	Y141 D143 I193 W199	Y141-R197 PolarHBondContact O-NE 2.87Å; Y141-R197 PolarHBondContact O-NH2 3.46Å; Y141-R197 VanDerWaalsContact O-NH2 3.09Å; D143-R197 IonicContact OD1-CZ 2.68Å; D143-R197 IonicContact OD1-NH1 3.71Å; D143-R197 PolarHBondContact OD1-NH1 2.93Å; D143-R197 IonicContact OD1-NH2 3.77Å; D143-R197 PolarHBondContact OD1-NH2 3.24Å; I193-R197 HydrophobicContact CG2-CB 4.14Å; I193-R197 WeakPolarHBondContact O-CB 3.36Å; I193-R197 PolarHBondContact O-N 3.25Å; R197-W199 VanDerWaalsContact NH1-CD2 3.32Å; R197-W199 VanDerWaalsContact O-CD1 3.24Å; R197-W199 PolarHBondContact O-N 3.06Å
198	N	87.8	Confident	92.2	Very high	138 Å²	138	50.9 Å²	50.9	74%	0.738	24%	0.24	S	C	*	.			trans	-84	112.9	168.3	-68.7	-22.9	0	0	0	109.8
199	W	91	Very high	92.7	Very high	26 Å²	26	51.6 Å²	51.6	10%	0.098	25%	0.245	C	C	.	.			trans	-86.5	135.1	178.2	-64.1	82.9	0	0	0	110.6	A146 H147 I193 R197 S204 K205 F208	A146-W199 HydrophobicContact CB-CH2 4.08Å; H147-W199 AromaticContact NE2-CZ3 3.92Å; I193-W199 HydrophobicContact CG2-CZ2 4.02Å; R197-W199 VanDerWaalsContact NH1-CD2 3.32Å; R197-W199 VanDerWaalsContact O-CD1 3.24Å; R197-W199 PolarHBondContact O-N 3.06Å; W199-S204 WeakPolarHBondContact CZ3-OG 3.45Å; W199-K205 HydrophobicContact CB-CB 3.82Å; W199-K205 HydrophobicContact CB-CD 3.9Å; W199-K205 HydrophobicContact CB-CG 3.99Å; W199-K205 HydrophobicContact CD2-CB 3.73Å; W199-K205 HydrophobicContact CD2-CG 3.84Å; W199-K205 HydrophobicContact CE3-CB 3.85Å; W199-K205 HydrophobicContact CE3-CG 4.43Å; W199-K205 HydrophobicContact CG-CB 3.72Å; W199-K205 HydrophobicContact CG-CD 3.89Å; W199-K205 HydrophobicContact CG-CG 3.6Å; W199-F208 HydrophobicContact CH2-CB 3.55Å; W199-F208 AromaticContact CH2-CD1 3.56Å; W199-F208 HydrophobicContact CH2-CD1 3.56Å; W199-F208 AromaticContact CH2-CD2 3.93Å; W199-F208 HydrophobicContact CH2-CD2 3.93Å; W199-F208 HydrophobicContact CH2-CE1 4.18Å; W199-F208 AromaticContact CH2-CG 3.39Å; W199-F208 HydrophobicContact CH2-CG 3.39Å; W199-F208 HydrophobicContact CZ2-CB 4.07Å; W199-F208 AromaticContact CZ2-CD1 3.3Å; W199-F208 HydrophobicContact CZ2-CD1 3.3Å; W199-F208 HydrophobicContact CZ2-CD2 4.47Å; W199-F208 AromaticContact CZ2-CE1 3.76Å; W199-F208 HydrophobicContact CZ2-CE1 3.76Å; W199-F208 AromaticContact CZ2-CG 3.7Å; W199-F208 HydrophobicContact CZ2-CG 3.7Å; W199-F208 HydrophobicContact CZ3-CB 4.13Å; W199-F208 HydrophobicContact CZ3-CG 4.4Å
200	Q	87.8	Confident	93	Very high	171 Å²	171	49.4 Å²	49.4	80%	0.799	23%	0.234	S	C	*	.	S	Bend	trans	-96.3	-26.9	177.6	-59.9	-61	-30.7	0	0	112.4
201	N	90.9	Very high	93.1	Very high	40 Å²	40	49.4 Å²	49.4	21%	0.214	23%	0.234	C	C	.	.			trans	-116.2	119.2	-178.5	-174.8	-63.1	0	0	0	110.4	L43 I203 S204 K205	L43-N201 WeakPolarHBondContact CD1-ND2 3.4Å; N201-I203 VanDerWaalsContact C-N 3.34Å; N201-I203 PolarHBondContact O-N 3.02Å; N201-I203 WeakPolarHBondContact OD1-CA 3.48Å; N201-I203 WeakPolarHBondContact OD1-CB 3.08Å; N201-I203 PolarHBondContact OD1-N 3.42Å; N201-S204 PolarHBondContact O-N 3.13Å; N201-S204 PolarHBondContact OD1-N 3.46Å; N201-K205 WeakPolarHBondContact O-CB 3.4Å; N201-K205 PolarHBondContact O-N 2.9Å
202	E	91.3	Very high	93.3	Very high	130 Å²	130	47.1 Å²	47.1	61%	0.607	23%	0.226	S	C	*	.	H	α-helix	trans	-68.6	-29.2	-177.5	-69.1	-59.4	142	0	0	113.4	S206	E202-S206 WeakPolarHBondContact O-CB 3.35Å; E202-S206 PolarHBondContact O-N 3.36Å
203	I	92.4	Very high	93.7	Very high	108 Å²	108	45 Å²	45	55%	0.554	22%	0.218	S	C	*	.	H	α-helix	trans	-69.7	-47.2	177.2	-59.4	172.4	0	0	0	109.7	L43 N201 S206 A207	L43-I203 HydrophobicContact CD2-CB 4.12Å; L43-I203 HydrophobicContact CD2-CG2 4.09Å; N201-I203 VanDerWaalsContact C-N 3.34Å; N201-I203 PolarHBondContact O-N 3.02Å; N201-I203 WeakPolarHBondContact OD1-CA 3.48Å; N201-I203 WeakPolarHBondContact OD1-CB 3.08Å; N201-I203 PolarHBondContact OD1-N 3.42Å; I203-S206 PolarHBondContact O-N 3.49Å; I203-A207 WeakPolarHBondContact O-CB 3.44Å; I203-A207 PolarHBondContact O-N 3.11Å
204	S	94.1	Very high	93.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59	-49.5	174.7	169.3	0	0	0	0	110.7	D143 H147 W199 N201 S206 A207 F208	D143-S204 PolarHBondContact OD2-OG 3.45Å; H147-S204 PolarHBondContact CE1-O 3.44Å; H147-S204 PolarHBondContact NE2-O 2.88Å; H147-S204 PolarHBondContact NE2-OG 3.43Å; W199-S204 WeakPolarHBondContact CZ3-OG 3.45Å; N201-S204 PolarHBondContact O-N 3.13Å; N201-S204 PolarHBondContact OD1-N 3.46Å; S204-S206 PolarHBondContact O-N 3.45Å; S204-A207 PolarHBondContact O-N 2.92Å; S204-F208 WeakPolarHBondContact O-CB 3.34Å; S204-F208 PolarHBondContact O-N 3.23Å
205	K	95.5	Very high	94	Very high	60 Å²	60	44.9 Å²	44.9	26%	0.261	22%	0.218	S	C	.	.	H	α-helix	trans	-55.9	-51.5	176	-175.7	-173.2	172.8	-169.6	0	111.8	W199 N201 A207 F208 E209	W199-K205 HydrophobicContact CB-CB 3.82Å; W199-K205 HydrophobicContact CB-CD 3.9Å; W199-K205 HydrophobicContact CB-CG 3.99Å; W199-K205 HydrophobicContact CD2-CB 3.73Å; W199-K205 HydrophobicContact CD2-CG 3.84Å; W199-K205 HydrophobicContact CE3-CB 3.85Å; W199-K205 HydrophobicContact CE3-CG 4.43Å; W199-K205 HydrophobicContact CG-CB 3.72Å; W199-K205 HydrophobicContact CG-CD 3.89Å; W199-K205 HydrophobicContact CG-CG 3.6Å; N201-K205 WeakPolarHBondContact O-CB 3.4Å; N201-K205 PolarHBondContact O-N 2.9Å; K205-A207 VanDerWaalsContact C-N 3.34Å; K205-A207 PolarHBondContact O-N 3.49Å; K205-F208 WeakPolarHBondContact O-CB 3.45Å; K205-F208 PolarHBondContact O-N 3.21Å; K205-F208 VanDerWaalsContact O-N 3.11Å; K205-E209 WeakPolarHBondContact O-CB 3.33Å; K205-E209 PolarHBondContact O-N 2.95Å
206	S	96.6	Very high	94.3	Very high	37 Å²	37	40.6 Å²	40.6	26%	0.259	20%	0.2	S	C	.	.	H	α-helix	trans	-60.2	-41.7	-178.5	177.4	0	0	0	0	112.4	E202 I203 S204 F208 S210 M256 S259	E202-S206 WeakPolarHBondContact O-CB 3.35Å; E202-S206 PolarHBondContact O-N 3.36Å; I203-S206 PolarHBondContact O-N 3.49Å; S204-S206 PolarHBondContact O-N 3.45Å; S206-F208 VanDerWaalsContact C-N 3.34Å; S206-F208 PolarHBondContact O-N 3.25Å; S206-S210 WeakPolarHBondContact O-CB 3.3Å; S206-S210 PolarHBondContact O-N 3.33Å; S206-S210 PolarHBondContact O-OG 3.37Å; S206-M256 WeakPolarHBondContact O-CE 3.4Å; S206-S259 WeakPolarHBondContact OG-CB 3.3Å
207	A	96.4	Very high	94.6	Very high	2 Å²	2	39.4 Å²	39.4	2%	0.017	20%	0.195	C	C	.	.	H	α-helix	trans	-66.4	-35.1	175.8	0	0	0	0	0	112.8	I46 I203 S204 K205 S210 L260	I46-A207 HydrophobicContact CD1-CB 3.87Å; I46-A207 HydrophobicContact CG1-CB 4.24Å; I46-A207 HydrophobicContact CG2-CB 3.79Å; I203-A207 WeakPolarHBondContact O-CB 3.44Å; I203-A207 PolarHBondContact O-N 3.11Å; S204-A207 PolarHBondContact O-N 2.92Å; K205-A207 VanDerWaalsContact C-N 3.34Å; K205-A207 PolarHBondContact O-N 3.49Å; A207-S210 PolarHBondContact O-OG 2.96Å; A207-L260 HydrophobicContact CB-CB 4.28Å
208	F	97.8	Very high	94.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-72.7	-52	175.5	-173.9	-98.7	0	0	0	111.9	A146 L150 C190 I193 L194 W199 S204 K205 S206 S210 G211 V212	A146-F208 HydrophobicContact CB-CD2 4.33Å; A146-F208 HydrophobicContact CB-CE2 3.94Å; A146-F208 HydrophobicContact CB-CZ 4.32Å; A146-F208 VanDerWaalsContact O-CE2 3.29Å; A146-F208 WeakPolarHBondContact O-CE2 3.32Å; L150-F208 HydrophobicContact CB-CD2 4.11Å; L150-F208 HydrophobicContact CB-CE2 3.8Å; L150-F208 HydrophobicContact CD2-CD2 3.72Å; L150-F208 HydrophobicContact CD2-CE2 4.16Å; L150-F208 HydrophobicContact CD2-CG 4.3Å; L150-F208 WeakPolarHBondContact CD2-O 3.48Å; C190-F208 HydrophobicContact CB-CE1 4.47Å; C190-F208 HydrophobicContact CB-CE2 4.38Å; C190-F208 HydrophobicContact CB-CZ 3.74Å; C190-F208 WeakPolarHBondContact O-CE1 3.25Å; I193-F208 HydrophobicContact CB-CE1 4.15Å; I193-F208 HydrophobicContact CB-CZ 3.99Å; I193-F208 HydrophobicContact CD1-CZ 4.48Å; I193-F208 HydrophobicContact CG2-CE1 3.9Å; I193-F208 HydrophobicContact CG2-CZ 3.83Å; L194-F208 HydrophobicContact CB-CD1 4.45Å; L194-F208 HydrophobicContact CB-CE1 4.06Å; L194-F208 HydrophobicContact CD1-CD1 4.43Å; W199-F208 HydrophobicContact CH2-CB 3.55Å; W199-F208 AromaticContact CH2-CD1 3.56Å; W199-F208 HydrophobicContact CH2-CD1 3.56Å; W199-F208 AromaticContact CH2-CD2 3.93Å; W199-F208 HydrophobicContact CH2-CD2 3.93Å; W199-F208 HydrophobicContact CH2-CE1 4.18Å; W199-F208 AromaticContact CH2-CG 3.39Å; W199-F208 HydrophobicContact CH2-CG 3.39Å; W199-F208 HydrophobicContact CZ2-CB 4.07Å; W199-F208 AromaticContact CZ2-CD1 3.3Å; W199-F208 HydrophobicContact CZ2-CD1 3.3Å; W199-F208 HydrophobicContact CZ2-CD2 4.47Å; W199-F208 AromaticContact CZ2-CE1 3.76Å; W199-F208 HydrophobicContact CZ2-CE1 3.76Å; W199-F208 AromaticContact CZ2-CG 3.7Å; W199-F208 HydrophobicContact CZ2-CG 3.7Å; W199-F208 HydrophobicContact CZ3-CB 4.13Å; W199-F208 HydrophobicContact CZ3-CG 4.4Å; S204-F208 WeakPolarHBondContact O-CB 3.34Å; S204-F208 PolarHBondContact O-N 3.23Å; K205-F208 WeakPolarHBondContact O-CB 3.45Å; K205-F208 PolarHBondContact O-N 3.21Å; K205-F208 VanDerWaalsContact O-N 3.11Å; S206-F208 VanDerWaalsContact C-N 3.34Å; S206-F208 PolarHBondContact O-N 3.25Å; F208-S210 PolarHBondContact O-N 3.33Å; F208-G211 WeakPolarHBondContact O-CA 3.41Å; F208-G211 PolarHBondContact O-N 3.13Å; F208-V212 HydrophobicContact CD1-CG2 3.85Å; F208-V212 HydrophobicContact CE1-CG2 3.51Å; F208-V212 HydrophobicContact CZ-CG2 3.9Å; F208-V212 WeakPolarHBondContact O-CG2 3.27Å; F208-V212 PolarHBondContact O-N 3Å
209	E	98.1	Very high	95.1	Very high	50 Å²	50	33.4 Å²	33.4	23%	0.234	17%	0.167	C	C	.	.	H	α-helix	trans	-57.6	-47.3	-177.5	177.4	169.4	-165.2	0	0	111.6	L194 K205 G211 V212 H213 M256	L194-E209 HydrophobicContact CD1-CB 3.66Å; L194-E209 HydrophobicContact CD1-CG 3.82Å; L194-E209 HydrophobicContact CD2-CB 4.41Å; L194-E209 HydrophobicContact CD2-CG 4.03Å; K205-E209 WeakPolarHBondContact O-CB 3.33Å; K205-E209 PolarHBondContact O-N 2.95Å; E209-G211 PolarHBondContact O-N 3.44Å; E209-V212 PolarHBondContact O-N 2.93Å; E209-H213 PolarHBondContact O-CD2 3.28Å; E209-H213 PolarHBondContact O-N 2.96Å; E209-H213 IonicContact OE1-NE2 3.73Å; E209-M256 HydrophobicContact CB-CE 3.93Å; E209-M256 HydrophobicContact CB-SD 4.47Å; E209-M256 HydrophobicContact CG-CE 3.83Å; E209-M256 HydrophobicContact CG-SD 3.93Å
210	S	98	Very high	95.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.2	-31.6	175.1	58.1	0	0	0	0	113.3	S206 A207 F208 L214 S259	S206-S210 WeakPolarHBondContact O-CB 3.3Å; S206-S210 PolarHBondContact O-N 3.33Å; S206-S210 PolarHBondContact O-OG 3.37Å; A207-S210 PolarHBondContact O-OG 2.96Å; F208-S210 PolarHBondContact O-N 3.33Å; S210-L214 WeakPolarHBondContact O-CB 3.35Å; S210-L214 PolarHBondContact O-N 3.37Å; S210-S259 WeakPolarHBondContact CB-OG 3.26Å; S210-S259 PolarHBondContact OG-OG 3.25Å
211	G	97.9	Very high	95.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-80	-33.2	176.4	0	0	0	0	0	114.5	F208 E209 L214 G215	F208-G211 WeakPolarHBondContact O-CA 3.41Å; F208-G211 PolarHBondContact O-N 3.13Å; E209-G211 PolarHBondContact O-N 3.44Å; G211-L214 PolarHBondContact O-N 3.28Å; G211-G215 PolarHBondContact O-N 3.01Å
212	V	98.1	Very high	95.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.5	-47.7	169.9	173.9	0	0	0	0	110	C190 W191 L194 F208 E209 L214 G215 V216	C190-V212 HydrophobicContact CB-CG2 3.71Å; W191-V212 HydrophobicContact CB-CG1 4.42Å; W191-V212 HydrophobicContact CD2-CG1 4.45Å; W191-V212 HydrophobicContact CE3-CG1 3.51Å; W191-V212 HydrophobicContact CZ3-CG1 4.16Å; L194-V212 HydrophobicContact CB-CG1 4.49Å; L194-V212 HydrophobicContact CD2-CB 4.04Å; L194-V212 HydrophobicContact CD2-CG1 3.78Å; F208-V212 HydrophobicContact CD1-CG2 3.85Å; F208-V212 HydrophobicContact CE1-CG2 3.51Å; F208-V212 HydrophobicContact CZ-CG2 3.9Å; F208-V212 WeakPolarHBondContact O-CG2 3.27Å; F208-V212 PolarHBondContact O-N 3Å; E209-V212 PolarHBondContact O-N 2.93Å; V212-L214 PolarHBondContact O-N 3.23Å; V212-G215 PolarHBondContact O-N 3.4Å; V212-V216 HydrophobicContact CG1-CG2 4.2Å; V212-V216 VanDerWaalsContact O-CB 3.3Å; V212-V216 WeakPolarHBondContact O-CB 3.13Å; V212-V216 WeakPolarHBondContact O-CG2 3.48Å; V212-V216 PolarHBondContact O-N 2.85Å
213	H	98.3	Very high	95.1	Very high	11 Å²	11	21.8 Å²	21.8	5%	0.051	11%	0.114	C	C	.	.	H	α-helix	trans	-59	-45.8	174.8	-77.2	-49.8	0	0	0	112.5	E209 G215 G217 Q249	E209-H213 PolarHBondContact O-CD2 3.28Å; E209-H213 PolarHBondContact O-N 2.96Å; E209-H213 IonicContact OE1-NE2 3.73Å; H213-G215 PolarHBondContact O-N 3.01Å; H213-G217 WeakPolarHBondContact O-CA 3.34Å; H213-G217 PolarHBondContact O-N 3Å; H213-Q249 WeakPolarHBondContact CB-O 3.5Å; H213-Q249 PolarHBondContact CE1-OE1 3.29Å; H213-Q249 PolarHBondContact ND1-OE1 2.99Å
214	L	97.9	Very high	94.9	Very high	25 Å²	25	17.2 Å²	17.2	13%	0.131	9%	0.091	C	C	.	.	H	α-helix	trans	-55.2	-53.8	176.3	178.6	60.7	0	0	0	111.5	S210 G211 V212 A218 L250 R261 L264 L268	S210-L214 WeakPolarHBondContact O-CB 3.35Å; S210-L214 PolarHBondContact O-N 3.37Å; G211-L214 PolarHBondContact O-N 3.28Å; V212-L214 PolarHBondContact O-N 3.23Å; L214-A218 WeakPolarHBondContact O-CB 3.37Å; L214-A218 PolarHBondContact O-N 3.34Å; L214-L250 HydrophobicContact CD1-CD2 4.41Å; L214-R261 HydrophobicContact CD2-CB 4.25Å; L214-R261 HydrophobicContact CD2-CG 4.04Å; L214-L264 HydrophobicContact CD1-CB 4.32Å; L214-L264 HydrophobicContact CD2-CB 4.05Å; L214-L264 HydrophobicContact CD2-CD1 4.23Å; L214-L268 HydrophobicContact CD1-CD2 4.21Å
215	G	95.9	Very high	94.4	Very high	3 Å²	3	18.3 Å²	18.3	3%	0.031	10%	0.097	C	C	.	.	H	α-helix	trans	-70.7	-51.1	-175.5	0	0	0	0	0	113.8	Y187 G211 V212 H213 G217 A218 F219	Y187-G215 VanDerWaalsContact CE1-CA 3.46Å; Y187-G215 VanDerWaalsContact CZ-CA 3.41Å; G211-G215 PolarHBondContact O-N 3.01Å; V212-G215 PolarHBondContact O-N 3.4Å; H213-G215 PolarHBondContact O-N 3.01Å; G215-G217 VanDerWaalsContact C-N 3.3Å; G215-G217 PolarHBondContact O-N 2.83Å; G215-A218 PolarHBondContact O-N 3.13Å; G215-F219 WeakPolarHBondContact O-CD2 3.48Å; G215-F219 PolarHBondContact O-N 3.38Å
216	V	95.4	Very high	93.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63	-40.9	-179.9	173.4	0	0	0	0	110.6	W191 V212 N220 F245 Q249 F723	W191-V216 HydrophobicContact CD2-CG2 4.49Å; W191-V216 HydrophobicContact CE3-CB 4.09Å; W191-V216 HydrophobicContact CE3-CG1 3.95Å; W191-V216 HydrophobicContact CE3-CG2 3.76Å; W191-V216 HydrophobicContact CZ3-CB 4.27Å; W191-V216 HydrophobicContact CZ3-CG1 3.98Å; W191-V216 HydrophobicContact CZ3-CG2 4.43Å; V212-V216 HydrophobicContact CG1-CG2 4.2Å; V212-V216 VanDerWaalsContact O-CB 3.3Å; V212-V216 WeakPolarHBondContact O-CB 3.13Å; V212-V216 WeakPolarHBondContact O-CG2 3.48Å; V212-V216 PolarHBondContact O-N 2.85Å; V216-N220 WeakPolarHBondContact O-CB 3.08Å; V216-N220 PolarHBondContact O-N 3.32Å; V216-N220 VanDerWaalsContact O-N 3.11Å; V216-N220 PolarHBondContact O-ND2 3.49Å; V216-F245 HydrophobicContact CG1-CE1 3.66Å; V216-F245 HydrophobicContact CG1-CZ 4.2Å; V216-Q249 HydrophobicContact CG1-CG 4.33Å; V216-F723 HydrophobicContact CG1-CD1 4.25Å; V216-F723 HydrophobicContact CG1-CD2 4.31Å; V216-F723 HydrophobicContact CG1-CE1 3.96Å; V216-F723 HydrophobicContact CG1-CE2 4.04Å; V216-F723 HydrophobicContact CG1-CG 4.42Å; V216-F723 HydrophobicContact CG1-CZ 3.85Å; V216-F723 HydrophobicContact CG2-CE1 3.93Å; V216-F723 HydrophobicContact CG2-CZ 4.06Å
217	G	96.6	Very high	93.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-59.4	-50.8	173.1	0	0	0	0	0	112.2	H213 G215 F219 N220 L221 G246	H213-G217 WeakPolarHBondContact O-CA 3.34Å; H213-G217 PolarHBondContact O-N 3Å; G215-G217 VanDerWaalsContact C-N 3.3Å; G215-G217 PolarHBondContact O-N 2.83Å; G217-F219 PolarHBondContact O-N 2.81Å; G217-N220 PolarHBondContact O-N 3.12Å; G217-L221 VanDerWaalsContact O-CB 3.24Å; G217-L221 WeakPolarHBondContact O-CB 3.25Å; G217-L221 PolarHBondContact O-N 3.34Å; G217-G246 WeakPolarHBondContact CA-O 3.45Å
218	A	95.4	Very high	92.2	Very high	20 Å²	20	20.5 Å²	20.5	17%	0.165	10%	0.102	C	C	.	.	H	α-helix	trans	-58.6	-46.9	178.3	0	0	0	0	0	113	L214 G215 L221 M222 L268	L214-A218 WeakPolarHBondContact O-CB 3.37Å; L214-A218 PolarHBondContact O-N 3.34Å; G215-A218 PolarHBondContact O-N 3.13Å; A218-L221 PolarHBondContact O-N 2.93Å; A218-M222 WeakPolarHBondContact O-CB 3.39Å; A218-M222 WeakPolarHBondContact O-CG 3.36Å; A218-M222 PolarHBondContact O-N 2.67Å; A218-L268 HydrophobicContact CB-CD2 3.52Å
219	F	92.1	Very high	91.1	Very high	18 Å²	18	24.6 Å²	24.6	8%	0.079	13%	0.131	C	C	.	.	H	α-helix	trans	-63.9	-48.3	-179	-92	-78.1	0	0	0	112.3	L157 I180 C183 Y184 Y187 G215 G217 L221 M222 I223	L157-F219 HydrophobicContact CD1-CZ 4.09Å; L157-F219 HydrophobicContact CD2-CE2 4.31Å; I180-F219 HydrophobicContact CG2-CE1 3.85Å; I180-F219 HydrophobicContact CG2-CZ 4.4Å; C183-F219 HydrophobicContact CB-CE2 4.46Å; C183-F219 HydrophobicContact CB-CZ 3.99Å; C183-F219 VanDerWaalsContact SG-CE2 3.53Å; C183-F219 VanDerWaalsContact SG-CZ 3.6Å; Y184-F219 HydrophobicContact CD2-CB 4.24Å; Y184-F219 AromaticContact CD2-CD1 3.89Å; Y184-F219 HydrophobicContact CD2-CD1 3.89Å; Y184-F219 HydrophobicContact CD2-CE1 4.41Å; Y184-F219 HydrophobicContact CD2-CG 4Å; Y187-F219 AromaticContact CD2-CD2 3.81Å; Y187-F219 HydrophobicContact CD2-CD2 3.81Å; Y187-F219 AromaticContact CD2-CE2 3.51Å; Y187-F219 HydrophobicContact CD2-CE2 3.51Å; Y187-F219 HydrophobicContact CE2-CD2 4.19Å; Y187-F219 AromaticContact CE2-CE2 3.72Å; Y187-F219 HydrophobicContact CE2-CE2 3.72Å; G215-F219 WeakPolarHBondContact O-CD2 3.48Å; G215-F219 PolarHBondContact O-N 3.38Å; G217-F219 PolarHBondContact O-N 2.81Å; F219-L221 VanDerWaalsContact C-N 3.32Å; F219-L221 PolarHBondContact O-N 3.27Å; F219-M222 PolarHBondContact O-N 3.26Å; F219-I223 HydrophobicContact CD1-CD1 4.4Å; F219-I223 WeakPolarHBondContact O-CB 3.32Å; F219-I223 WeakPolarHBondContact O-CD1 3.4Å; F219-I223 VanDerWaalsContact O-CG1 3.22Å; F219-I223 WeakPolarHBondContact O-CG1 3.23Å; F219-I223 PolarHBondContact O-N 2.88Å
220	N	92.1	Very high	90.2	Very high	7 Å²	7	25.1 Å²	25.1	4%	0.037	14%	0.138	C	C	.	.	H	α-helix	trans	-61.4	-44.2	179.2	-85.5	-81	0	0	0	111.3	V216 G217 S224 D242 F245 F723	V216-N220 WeakPolarHBondContact O-CB 3.08Å; V216-N220 PolarHBondContact O-N 3.32Å; V216-N220 VanDerWaalsContact O-N 3.11Å; V216-N220 PolarHBondContact O-ND2 3.49Å; G217-N220 PolarHBondContact O-N 3.12Å; N220-S224 VanDerWaalsContact O-CB 3.31Å; N220-S224 WeakPolarHBondContact O-CB 3.49Å; N220-S224 PolarHBondContact O-N 3.14Å; N220-S224 PolarHBondContact O-OG 2.77Å; N220-D242 WeakPolarHBondContact CB-O 3.05Å; N220-D242 PolarHBondContact OD1-N 2.91Å; N220-F245 HydrophobicContact CB-CD1 4.33Å; N220-F723 WeakPolarHBondContact ND2-CE2 3.37Å
221	L	92.3	Very high	89.1	Confident	4 Å²	4	26.1 Å²	26.1	2%	0.021	14%	0.143	C	C	.	.	H	α-helix	trans	-63	-53.8	177.9	-173.5	57.8	0	0	0	111.6	G217 A218 F219 I223 S224 M225 R243 L247 L250 Y272	G217-L221 VanDerWaalsContact O-CB 3.24Å; G217-L221 WeakPolarHBondContact O-CB 3.25Å; G217-L221 PolarHBondContact O-N 3.34Å; A218-L221 PolarHBondContact O-N 2.93Å; F219-L221 VanDerWaalsContact C-N 3.32Å; F219-L221 PolarHBondContact O-N 3.27Å; L221-I223 PolarHBondContact O-N 3.37Å; L221-S224 PolarHBondContact O-N 3.32Å; L221-S224 PolarHBondContact O-OG 2.88Å; L221-M225 HydrophobicContact CG-CE 4.28Å; L221-M225 WeakPolarHBondContact O-CG 3.47Å; L221-M225 PolarHBondContact O-N 3.23Å; L221-R243 HydrophobicContact CD1-CG 3.98Å; L221-L247 HydrophobicContact CD1-CD2 3.94Å; L221-L247 HydrophobicContact CD1-CG 4.11Å; L221-L247 HydrophobicContact CD2-CD2 4.12Å; L221-L250 HydrophobicContact CD2-CD1 3.79Å; L221-Y272 HydrophobicContact CD1-CD2 3.7Å; L221-Y272 HydrophobicContact CD1-CE2 3.57Å; L221-Y272 HydrophobicContact CD1-CG 4.24Å; L221-Y272 HydrophobicContact CD2-CD2 3.81Å; L221-Y272 HydrophobicContact CD2-CG 3.8Å; L221-Y272 HydrophobicContact CG-CD2 3.97Å; L221-Y272 HydrophobicContact CG-CE2 4.31Å; L221-Y272 HydrophobicContact CG-CG 4.44Å
222	M	89.7	Confident	88.2	Confident	100 Å²	100	33.1 Å²	33.1	49%	0.493	17%	0.173	S	C	.	.	H	α-helix	trans	-58	-44.8	-179.1	-76.8	-70.6	-65.7	0	0	112.6	A218 F219 M225	A218-M222 WeakPolarHBondContact O-CB 3.39Å; A218-M222 WeakPolarHBondContact O-CG 3.36Å; A218-M222 PolarHBondContact O-N 2.67Å; F219-M222 PolarHBondContact O-N 3.26Å; M222-M225 HydrophobicContact CG-CE 4.43Å; M222-M225 PolarHBondContact O-N 3.19Å; M222-M225 HydrophobicContact SD-CE 3.73Å
223	I	87.2	Confident	87	Confident	13 Å²	13	38.7 Å²	38.7	7%	0.067	20%	0.203	C	C	.	.	H	α-helix	trans	-65.4	-44.4	178.8	-66.9	166.8	0	0	0	110	F219 L221 M225 L226 L231 F239	F219-I223 HydrophobicContact CD1-CD1 4.4Å; F219-I223 WeakPolarHBondContact O-CB 3.32Å; F219-I223 WeakPolarHBondContact O-CD1 3.4Å; F219-I223 VanDerWaalsContact O-CG1 3.22Å; F219-I223 WeakPolarHBondContact O-CG1 3.23Å; F219-I223 PolarHBondContact O-N 2.88Å; L221-I223 PolarHBondContact O-N 3.37Å; I223-M225 PolarHBondContact O-N 3.05Å; I223-M225 VanDerWaalsContact O-N 3.1Å; I223-L226 WeakPolarHBondContact O-CB 3.15Å; I223-L226 PolarHBondContact O-N 3.37Å; I223-L231 HydrophobicContact CG2-CD2 3.71Å; I223-L231 WeakPolarHBondContact O-CD2 3.14Å; I223-F239 HydrophobicContact CD1-CB 4.44Å
224	S	87.2	Confident	85.9	Confident	11 Å²	11	40.4 Å²	40.4	8%	0.077	21%	0.212	C	C	.	.	H	α-helix	trans	-61	-23	-177.7	79.1	0	0	0	0	114.8	N220 L221 R243 H598	N220-S224 VanDerWaalsContact O-CB 3.31Å; N220-S224 WeakPolarHBondContact O-CB 3.49Å; N220-S224 PolarHBondContact O-N 3.14Å; N220-S224 PolarHBondContact O-OG 2.77Å; L221-S224 PolarHBondContact O-N 3.32Å; L221-S224 PolarHBondContact O-OG 2.88Å; S224-R243 WeakPolarHBondContact OG-CB 3.43Å; S224-H598 PolarHBondContact O-NE2 3.39Å; S224-H598 VanDerWaalsContact O-NE2 3.13Å
225	M	84.2	Confident	85	Confident	24 Å²	24	43.7 Å²	43.7	12%	0.118	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-11.2	179	-65.9	-174.7	-66.9	0	0	113.5	L221 M222 I223 Y272 A276 L280 F595	L221-M225 HydrophobicContact CG-CE 4.28Å; L221-M225 WeakPolarHBondContact O-CG 3.47Å; L221-M225 PolarHBondContact O-N 3.23Å; M222-M225 HydrophobicContact CG-CE 4.43Å; M222-M225 PolarHBondContact O-N 3.19Å; M222-M225 HydrophobicContact SD-CE 3.73Å; I223-M225 PolarHBondContact O-N 3.05Å; I223-M225 VanDerWaalsContact O-N 3.1Å; M225-Y272 HydrophobicContact CG-CE2 4.42Å; M225-Y272 HydrophobicContact SD-CD2 3.77Å; M225-Y272 HydrophobicContact SD-CE2 3.73Å; M225-A276 HydrophobicContact SD-CB 3.96Å; M225-L280 HydrophobicContact CB-CD1 4.44Å; M225-L280 HydrophobicContact CG-CD1 4Å; M225-L280 HydrophobicContact SD-CD1 4.03Å; M225-F595 WeakPolarHBondContact O-CD1 3.41Å; M225-F595 WeakPolarHBondContact O-CE1 3.49Å
226	L	83.9	Confident	83.8	Confident	46 Å²	46	52.2 Å²	52.2	24%	0.241	26%	0.263	C	S	.	.	S	Bend	trans	-70.2	144.2	-177.2	-67.1	173.4	0	0	0	111.2	I223 V230 L231 L234 H598	I223-L226 WeakPolarHBondContact O-CB 3.15Å; I223-L226 PolarHBondContact O-N 3.37Å; L226-V230 HydrophobicContact CB-CB 4.32Å; L226-V230 HydrophobicContact CB-CG1 4.38Å; L226-V230 HydrophobicContact CD1-CG1 3.98Å; L226-V230 HydrophobicContact CD2-CG1 4.48Å; L226-L231 HydrophobicContact CB-CD2 4.27Å; L226-L231 HydrophobicContact CB-CG 4.05Å; L226-L231 WeakPolarHBondContact O-CD1 3.5Å; L226-L231 WeakPolarHBondContact O-CG 3.43Å; L226-L234 HydrophobicContact CD1-CD1 3.37Å; L226-H598 PolarHBondContact O-CD2 3Å; L226-H598 PolarHBondContact O-CE1 3.29Å; L226-H598 PolarHBondContact O-NE2 3.45Å
227	P	80.6	Confident	82.5	Confident	14 Å²	14	55.3 Å²	55.3	9%	0.091	28%	0.282	C	S	.	.			trans	-61.5	151.3	175.1	-21.4	33.3	0	0	0	111.7	S229 V230 L231 H594 F595	P227-S229 PolarHBondContact O-N 2.94Å; P227-V230 PolarHBondContact O-N 3.1Å; P227-L231 PolarHBondContact O-N 3.42Å; P227-H594 HydrophobicContact CB-CB 4.43Å; P227-H594 HydrophobicContact CG-CB 4.5Å; P227-F595 HydrophobicContact CG-CD1 4.1Å; P227-F595 HydrophobicContact CG-CD2 4.5Å; P227-F595 HydrophobicContact CG-CE1 3.94Å; P227-F595 HydrophobicContact CG-CE2 4.32Å; P227-F595 HydrophobicContact CG-CG 4.38Å; P227-F595 HydrophobicContact CG-CZ 4.04Å
228	R	77.5	Confident	81.2	Confident	84 Å²	84	56.3 Å²	56.3	32%	0.317	29%	0.292	S	S	.	.	H	α-helix	trans	-46	-39.4	-179.6	-71.7	-176.3	168.5	-171.3	0	115.8	V230 L231 K232 D601	R228-V230 VanDerWaalsContact C-N 3.28Å; R228-V230 PolarHBondContact O-N 2.99Å; R228-L231 PolarHBondContact O-N 2.7Å; R228-K232 WeakPolarHBondContact O-CB 3.38Å; R228-K232 WeakPolarHBondContact O-CG 3.26Å; R228-K232 PolarHBondContact O-N 3.31Å; R228-D601 IonicContact CZ-OD1 3.02Å; R228-D601 IonicContact CZ-OD2 2.83Å; R228-D601 IonicContact NE-OD2 3.07Å; R228-D601 PolarHBondContact NE-OD2 2.79Å; R228-D601 IonicContact NH1-OD1 3.46Å; R228-D601 IonicContact NH1-OD2 2.7Å; R228-D601 PolarHBondContact NH1-OD2 2.85Å; R228-D601 IonicContact NH2-OD1 3.28Å; R228-D601 PolarHBondContact NH2-OD1 3.37Å; R228-D601 IonicContact NH2-OD2 3.89Å; R228-D601 PolarHBondContact NH2-OD2 3.28Å
229	S	75.3	Confident	80.2	Confident	87 Å²	87	56.4 Å²	56.4	61%	0.608	29%	0.289	S	S	*	.	H	α-helix	trans	-64.4	-35.1	-179.5	51.9	0	0	0	0	112.3	P227	P227-S229 PolarHBondContact O-N 2.94Å
230	V	77.9	Confident	79.6	Confident	61 Å²	61	56.5 Å²	56.5	37%	0.37	29%	0.292	S	S	.	.	H	α-helix	trans	-80.8	-42.1	176.4	-174.8	0	0	0	0	110.3	L226 P227 R228 K232 L233 L234	L226-V230 HydrophobicContact CB-CB 4.32Å; L226-V230 HydrophobicContact CB-CG1 4.38Å; L226-V230 HydrophobicContact CD1-CG1 3.98Å; L226-V230 HydrophobicContact CD2-CG1 4.48Å; P227-V230 PolarHBondContact O-N 3.1Å; R228-V230 VanDerWaalsContact C-N 3.28Å; R228-V230 PolarHBondContact O-N 2.99Å; V230-K232 PolarHBondContact O-N 3.44Å; V230-L233 WeakPolarHBondContact O-CB 3.07Å; V230-L233 PolarHBondContact O-N 2.89Å; V230-L234 HydrophobicContact CG1-CD1 4.27Å; V230-L234 PolarHBondContact O-N 3.37Å
231	L	75.8	Confident	79.2	Confident	21 Å²	21	57.2 Å²	57.2	11%	0.11	30%	0.301	C	S	.	.	H	α-helix	trans	-56.3	-49.1	176.4	-82.2	174.6	0	0	0	112.4	I223 L226 P227 R228 L233 L234 E235 H598	I223-L231 HydrophobicContact CG2-CD2 3.71Å; I223-L231 WeakPolarHBondContact O-CD2 3.14Å; L226-L231 HydrophobicContact CB-CD2 4.27Å; L226-L231 HydrophobicContact CB-CG 4.05Å; L226-L231 WeakPolarHBondContact O-CD1 3.5Å; L226-L231 WeakPolarHBondContact O-CG 3.43Å; P227-L231 PolarHBondContact O-N 3.42Å; R228-L231 PolarHBondContact O-N 2.7Å; L231-L233 PolarHBondContact O-N 3.38Å; L231-L234 CarbonylContact O-C 3.59Å; L231-L234 WeakPolarHBondContact O-CA 3.12Å; L231-L234 WeakPolarHBondContact O-CB 3.28Å; L231-L234 PolarHBondContact O-N 3.46Å; L231-E235 WeakPolarHBondContact O-CG 3.4Å; L231-E235 PolarHBondContact O-N 3.33Å; L231-H598 VanDerWaalsContact CD1-CE1 3.47Å; L231-H598 WeakPolarHBondContact CD1-CE1 3.5Å
232	K	77.9	Confident	79	Confident	146 Å²	146	58.9 Å²	58.9	64%	0.635	31%	0.31	S	S	*	.	H	α-helix	trans	-57.8	-35.7	178.6	-75.2	-178.8	179.1	-172.4	0	113	R228 V230 F236	R228-K232 WeakPolarHBondContact O-CB 3.38Å; R228-K232 WeakPolarHBondContact O-CG 3.26Å; R228-K232 PolarHBondContact O-N 3.31Å; V230-K232 PolarHBondContact O-N 3.44Å; K232-F236 WeakPolarHBondContact O-CB 3.45Å; K232-F236 PolarHBondContact O-N 2.92Å
233	L	74.7	Confident	79	Confident	118 Å²	118	56 Å²	56	62%	0.618	29%	0.293	S	S	*	.	H	α-helix	trans	-70.5	-36.1	176.6	-175.2	68.5	0	0	0	111.4	V230 L231 V237	V230-L233 WeakPolarHBondContact O-CB 3.07Å; V230-L233 PolarHBondContact O-N 2.89Å; L231-L233 PolarHBondContact O-N 3.38Å; L233-V237 WeakPolarHBondContact O-CG2 3.3Å
234	L	74.4	Confident	79.2	Confident	46 Å²	46	60.8 Å²	60.8	24%	0.241	32%	0.316	C	S	.	.	H	α-helix	trans	-74.2	-42.8	177.9	-77.7	-179.1	0	0	0	112.4	L226 V230 L231 F236 V237 G238 F239	L226-L234 HydrophobicContact CD1-CD1 3.37Å; V230-L234 HydrophobicContact CG1-CD1 4.27Å; V230-L234 PolarHBondContact O-N 3.37Å; L231-L234 CarbonylContact O-C 3.59Å; L231-L234 WeakPolarHBondContact O-CA 3.12Å; L231-L234 WeakPolarHBondContact O-CB 3.28Å; L231-L234 PolarHBondContact O-N 3.46Å; L234-F236 VanDerWaalsContact C-N 3.27Å; L234-F236 PolarHBondContact O-N 3.38Å; L234-V237 CarbonylContact O-C 3.46Å; L234-V237 WeakPolarHBondContact O-CA 3.42Å; L234-V237 PolarHBondContact O-N 2.83Å; L234-G238 PolarHBondContact O-N 3.18Å; L234-F239 CarbonylContact C-O 3.53Å; L234-F239 HydrophobicContact CB-CB 3.99Å; L234-F239 HydrophobicContact CD2-CD2 3.96Å; L234-F239 HydrophobicContact CD2-CG 4.49Å; L234-F239 WeakPolarHBondContact O-CB 3.38Å; L234-F239 PolarHBondContact O-N 2.63Å
235	E	78	Confident	79.6	Confident	95 Å²	95	61.7 Å²	61.7	44%	0.444	32%	0.318	S	S	.	.	H	α-helix	trans	-59.4	-39.9	175.3	-73.8	173	170.6	0	0	111.2	L231 V237 G238 F239	L231-E235 WeakPolarHBondContact O-CG 3.4Å; L231-E235 PolarHBondContact O-N 3.33Å; E235-V237 PolarHBondContact O-N 3.1Å; E235-G238 PolarHBondContact O-N 2.59Å; E235-F239 WeakPolarHBondContact CA-O 3.45Å; E235-F239 WeakPolarHBondContact CG-O 3.42Å; E235-F239 PolarHBondContact N-O 2.97Å
236	F	72.4	Confident	80.2	Confident	181 Å²	181	60.6 Å²	60.6	79%	0.794	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-26	173.5	-178.6	-98.4	0	0	0	113.3	K232 L234	K232-F236 WeakPolarHBondContact O-CB 3.45Å; K232-F236 PolarHBondContact O-N 2.92Å; L234-F236 VanDerWaalsContact C-N 3.27Å; L234-F236 PolarHBondContact O-N 3.38Å
237	V	67.1	Low	80.7	Confident	66 Å²	66	58.9 Å²	58.9	40%	0.4	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	8.6	177.8	-171.9	0	0	0	0	111.5	L233 L234 E235 F239	L233-V237 WeakPolarHBondContact O-CG2 3.3Å; L234-V237 CarbonylContact O-C 3.46Å; L234-V237 WeakPolarHBondContact O-CA 3.42Å; L234-V237 PolarHBondContact O-N 2.83Å; E235-V237 PolarHBondContact O-N 3.1Å; V237-F239 HydrophobicContact CB-CD2 4.14Å; V237-F239 HydrophobicContact CB-CE2 4.32Å; V237-F239 HydrophobicContact CG1-CD2 4.25Å; V237-F239 HydrophobicContact CG1-CE2 3.93Å
238	G	70.6	Confident	81.6	Confident	21 Å²	21	62.9 Å²	62.9	22%	0.216	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	22	178.1	0	0	0	0	0	114.6	L234 E235 F722	L234-G238 PolarHBondContact O-N 3.18Å; E235-G238 PolarHBondContact O-N 2.59Å; G238-F722 WeakPolarHBondContact O-CE1 3.35Å; G238-F722 VanDerWaalsContact O-CE2 3.3Å; G238-F722 WeakPolarHBondContact O-CE2 3.47Å; G238-F722 WeakPolarHBondContact O-CZ 3.4Å
239	F	74.3	Confident	82.5	Confident	21 Å²	21	59.3 Å²	59.3	9%	0.092	31%	0.308	C	S	.	.			trans	-105.3	120.1	172.7	-63.6	-76.8	0	0	0	111	R181 Y184 I223 L234 E235 V237	R181-F239 HydrophobicContact CB-CE2 4.41Å; R181-F239 HydrophobicContact CB-CZ 3.73Å; R181-F239 HydrophobicContact CG-CE2 4.35Å; R181-F239 HydrophobicContact CG-CZ 3.7Å; Y184-F239 AromaticContact CD1-CD1 3.7Å; Y184-F239 HydrophobicContact CD1-CD1 3.7Å; Y184-F239 AromaticContact CD1-CE1 3.3Å; Y184-F239 HydrophobicContact CD1-CE1 3.3Å; Y184-F239 HydrophobicContact CD1-CZ 4.42Å; Y184-F239 HydrophobicContact CD2-CD1 4.35Å; Y184-F239 HydrophobicContact CD2-CE1 4.33Å; Y184-F239 AromaticContact CE1-CD1 3.74Å; Y184-F239 HydrophobicContact CE1-CD1 3.74Å; Y184-F239 AromaticContact CE1-CE1 3.83Å; Y184-F239 HydrophobicContact CE1-CE1 3.83Å; Y184-F239 HydrophobicContact CE2-CD1 4.43Å; Y184-F239 AromaticContact CG-CD1 3.98Å; Y184-F239 HydrophobicContact CG-CD1 3.98Å; Y184-F239 AromaticContact CG-CE1 3.57Å; Y184-F239 HydrophobicContact CG-CE1 3.57Å; I223-F239 HydrophobicContact CD1-CB 4.44Å; L234-F239 CarbonylContact C-O 3.53Å; L234-F239 HydrophobicContact CB-CB 3.99Å; L234-F239 HydrophobicContact CD2-CD2 3.96Å; L234-F239 HydrophobicContact CD2-CG 4.49Å; L234-F239 WeakPolarHBondContact O-CB 3.38Å; L234-F239 PolarHBondContact O-N 2.63Å; E235-F239 WeakPolarHBondContact CA-O 3.45Å; E235-F239 WeakPolarHBondContact CG-O 3.42Å; E235-F239 PolarHBondContact N-O 2.97Å; V237-F239 HydrophobicContact CB-CD2 4.14Å; V237-F239 HydrophobicContact CB-CE2 4.32Å; V237-F239 HydrophobicContact CG1-CD2 4.25Å; V237-F239 HydrophobicContact CG1-CE2 3.93Å
240	S	78.3	Confident	83.6	Confident	21 Å²	21	55.2 Å²	55.2	15%	0.147	28%	0.28	C	S	.	.			trans	-124.2	151.6	164.8	59.2	0	0	0	0	109.3
241	G	83.2	Confident	84.6	Confident	22 Å²	22	56.1 Å²	56.1	23%	0.227	28%	0.276	C	S	.	.			trans	-128.9	123.7	177.9	0	0	0	0	0	110.1
242	D	88.6	Confident	85.6	Confident	38 Å²	38	59.1 Å²	59.1	20%	0.203	29%	0.292	C	S	.	.			trans	-101.7	114.2	174.2	-176.3	-34	0	0	0	109.4	N220 Q244 F245 G246 R721	N220-D242 WeakPolarHBondContact CB-O 3.05Å; N220-D242 PolarHBondContact OD1-N 2.91Å; D242-Q244 PolarHBondContact O-N 2.86Å; D242-Q244 PolarHBondContact OD1-N 2.8Å; D242-F245 HydrophobicContact CB-CB 3.87Å; D242-F245 PolarHBondContact OD1-N 3.1Å; D242-F245 VanDerWaalsContact OD1-N 3.1Å; D242-G246 PolarHBondContact O-N 3.18Å; D242-R721 IonicContact OD2-CZ 2.73Å; D242-R721 IonicContact OD2-NE 3.28Å; D242-R721 PolarHBondContact OD2-NE 3.26Å; D242-R721 IonicContact OD2-NH2 3.94Å; D242-R721 PolarHBondContact OD2-NH2 3.39Å
243	R	90.5	Very high	86.6	Confident	39 Å²	39	52.1 Å²	52.1	15%	0.147	26%	0.262	C	S	.	.	H	α-helix	trans	-58.6	-47.3	-178.2	-171.4	-179.7	-61.5	-170.5	3.6	112.3	L221 S224 G246 L247 E599	L221-R243 HydrophobicContact CD1-CG 3.98Å; S224-R243 WeakPolarHBondContact OG-CB 3.43Å; R243-G246 PolarHBondContact O-N 2.82Å; R243-L247 HydrophobicContact CG-CD1 4.15Å; R243-L247 WeakPolarHBondContact O-CG 3.26Å; R243-L247 PolarHBondContact O-N 3.48Å; R243-E599 IonicContact CZ-OE1 2.71Å; R243-E599 IonicContact CZ-OE2 3.59Å; R243-E599 VanDerWaalsContact CZ-OE2 3.26Å; R243-E599 IonicContact NH1-OE1 2.67Å; R243-E599 PolarHBondContact NH1-OE1 3.34Å; R243-E599 IonicContact NH1-OE2 2.78Å; R243-E599 PolarHBondContact NH1-OE2 3.28Å; R243-E599 IonicContact NH2-OE1 2.94Å; R243-E599 IonicContact NH2-OE2 3.16Å; R243-E599 PolarHBondContact NH2-OE2 3.47Å
244	Q	92	Very high	87.6	Confident	114 Å²	114	46.9 Å²	46.9	53%	0.533	24%	0.235	S	C	.	.	H	α-helix	trans	-68.3	-44.2	-173.8	-176.4	62.4	20.2	0	0	110.3	D242 G246 L247 E248	D242-Q244 PolarHBondContact O-N 2.86Å; D242-Q244 PolarHBondContact OD1-N 2.8Å; Q244-G246 VanDerWaalsContact C-N 3.33Å; Q244-G246 PolarHBondContact O-N 2.81Å; Q244-L247 PolarHBondContact O-N 3.28Å; Q244-E248 WeakPolarHBondContact O-CB 3.4Å; Q244-E248 PolarHBondContact O-N 2.86Å
245	F	95	Very high	88.7	Confident	31 Å²	31	47.2 Å²	47.2	14%	0.136	25%	0.25	C	S	.	.	H	α-helix	trans	-60.4	-45	173.3	178.1	-107	0	0	0	111	W191 V216 N220 D242 L247 E248 Q249 F723	W191-F245 HydrophobicContact CH2-CE2 4.17Å; W191-F245 AromaticContact CH2-CZ 3.63Å; W191-F245 HydrophobicContact CH2-CZ 3.63Å; W191-F245 HydrophobicContact CZ2-CE2 4.27Å; W191-F245 AromaticContact CZ2-CZ 3.75Å; W191-F245 HydrophobicContact CZ2-CZ 3.75Å; W191-F245 HydrophobicContact CZ3-CZ 4.33Å; V216-F245 HydrophobicContact CG1-CE1 3.66Å; V216-F245 HydrophobicContact CG1-CZ 4.2Å; N220-F245 HydrophobicContact CB-CD1 4.33Å; D242-F245 HydrophobicContact CB-CB 3.87Å; D242-F245 PolarHBondContact OD1-N 3.1Å; D242-F245 VanDerWaalsContact OD1-N 3.1Å; F245-L247 PolarHBondContact O-N 2.87Å; F245-E248 PolarHBondContact O-N 3.2Å; F245-Q249 HydrophobicContact CD1-CG 4.25Å; F245-Q249 HydrophobicContact CD2-CG 4.31Å; F245-Q249 HydrophobicContact CE1-CG 3.89Å; F245-Q249 HydrophobicContact CE2-CG 3.96Å; F245-Q249 VanDerWaalsContact CE2-NE2 3.28Å; F245-Q249 HydrophobicContact CG-CG 4.46Å; F245-Q249 HydrophobicContact CZ-CG 3.73Å; F245-Q249 VanDerWaalsContact O-CG 3.31Å; F245-Q249 WeakPolarHBondContact O-CG 3.43Å; F245-Q249 PolarHBondContact O-N 3.45Å; F245-F723 HydrophobicContact CE1-CB 3.95Å; F245-F723 HydrophobicContact CE1-CD2 4.01Å; F245-F723 HydrophobicContact CE1-CG 4.06Å; F245-F723 HydrophobicContact CZ-CB 3.95Å; F245-F723 HydrophobicContact CZ-CG 4.38Å
246	G	95.9	Very high	89.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-56.4	-47.2	177.1	0	0	0	0	0	112.9	G217 D242 R243 Q244 Q249 L250	G217-G246 WeakPolarHBondContact CA-O 3.45Å; D242-G246 PolarHBondContact O-N 3.18Å; R243-G246 PolarHBondContact O-N 2.82Å; Q244-G246 VanDerWaalsContact C-N 3.33Å; Q244-G246 PolarHBondContact O-N 2.81Å; G246-Q249 PolarHBondContact O-N 3.18Å; G246-L250 WeakPolarHBondContact O-CG 3.46Å; G246-L250 PolarHBondContact O-N 3.06Å; G246-L250 VanDerWaalsContact O-N 3.11Å
247	L	96	Very high	90.3	Very high	11 Å²	11	40.5 Å²	40.5	6%	0.058	22%	0.22	C	C	.	.	H	α-helix	trans	-64.8	-43.3	176.3	-68.8	172.1	0	0	0	112.1	L221 R243 Q244 F245 Q249 L250 R251 L269 Y272	L221-L247 HydrophobicContact CD1-CD2 3.94Å; L221-L247 HydrophobicContact CD1-CG 4.11Å; L221-L247 HydrophobicContact CD2-CD2 4.12Å; R243-L247 HydrophobicContact CG-CD1 4.15Å; R243-L247 WeakPolarHBondContact O-CG 3.26Å; R243-L247 PolarHBondContact O-N 3.48Å; Q244-L247 PolarHBondContact O-N 3.28Å; F245-L247 PolarHBondContact O-N 2.87Å; L247-Q249 VanDerWaalsContact C-N 3.34Å; L247-Q249 PolarHBondContact O-N 2.95Å; L247-L250 PolarHBondContact O-N 3.1Å; L247-R251 VanDerWaalsContact O-CG 3.29Å; L247-R251 WeakPolarHBondContact O-CG 3.32Å; L247-R251 PolarHBondContact O-N 2.87Å; L247-L269 HydrophobicContact CD2-CD2 3.98Å; L247-Y272 HydrophobicContact CD1-CE1 4.03Å; L247-Y272 HydrophobicContact CD2-CD1 3.59Å; L247-Y272 HydrophobicContact CD2-CE1 3.64Å; L247-Y272 HydrophobicContact CD2-CG 4.3Å; L247-Y272 HydrophobicContact CG-CE1 4.42Å
248	E	97.6	Very high	91.3	Very high	98 Å²	98	43.5 Å²	43.5	46%	0.458	23%	0.234	S	C	.	.	H	α-helix	trans	-59.1	-44.2	176.1	-175.5	179.2	-177.7	0	0	112	Q244 F245 L250 R251 L252	Q244-E248 WeakPolarHBondContact O-CB 3.4Å; Q244-E248 PolarHBondContact O-N 2.86Å; F245-E248 PolarHBondContact O-N 3.2Å; E248-L250 PolarHBondContact O-N 3.12Å; E248-R251 WeakPolarHBondContact O-CB 3.37Å; E248-R251 PolarHBondContact O-N 3.13Å; E248-L252 WeakPolarHBondContact O-CG 3.47Å; E248-L252 PolarHBondContact O-N 3.22Å
249	Q	98	Very high	92.4	Very high	9 Å²	9	42.8 Å²	42.8	4%	0.042	23%	0.226	C	C	.	.	H	α-helix	trans	-62.8	-42.8	176.8	-64.5	-42.2	-59.8	0	0	111.9	W191 H213 V216 F245 G246 L247 R251 L252 G253	W191-Q249 HydrophobicContact CH2-CG 4.3Å; W191-Q249 HydrophobicContact CZ3-CG 4.32Å; H213-Q249 WeakPolarHBondContact CB-O 3.5Å; H213-Q249 PolarHBondContact CE1-OE1 3.29Å; H213-Q249 PolarHBondContact ND1-OE1 2.99Å; V216-Q249 HydrophobicContact CG1-CG 4.33Å; F245-Q249 HydrophobicContact CD1-CG 4.25Å; F245-Q249 HydrophobicContact CD2-CG 4.31Å; F245-Q249 HydrophobicContact CE1-CG 3.89Å; F245-Q249 HydrophobicContact CE2-CG 3.96Å; F245-Q249 VanDerWaalsContact CE2-NE2 3.28Å; F245-Q249 HydrophobicContact CG-CG 4.46Å; F245-Q249 HydrophobicContact CZ-CG 3.73Å; F245-Q249 VanDerWaalsContact O-CG 3.31Å; F245-Q249 WeakPolarHBondContact O-CG 3.43Å; F245-Q249 PolarHBondContact O-N 3.45Å; G246-Q249 PolarHBondContact O-N 3.18Å; L247-Q249 VanDerWaalsContact C-N 3.34Å; L247-Q249 PolarHBondContact O-N 2.95Å; Q249-R251 VanDerWaalsContact C-N 3.31Å; Q249-R251 PolarHBondContact O-N 3.31Å; Q249-L252 PolarHBondContact O-N 2.97Å; Q249-G253 PolarHBondContact O-N 3.41Å
250	L	98.3	Very high	93.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.2	-35.8	175.9	-66.3	176.3	0	0	0	112.3	L214 L221 G246 L247 E248 G253 A254 L268 L269	L214-L250 HydrophobicContact CD1-CD2 4.41Å; L221-L250 HydrophobicContact CD2-CD1 3.79Å; G246-L250 WeakPolarHBondContact O-CG 3.46Å; G246-L250 PolarHBondContact O-N 3.06Å; G246-L250 VanDerWaalsContact O-N 3.11Å; L247-L250 PolarHBondContact O-N 3.1Å; E248-L250 PolarHBondContact O-N 3.12Å; L250-G253 PolarHBondContact O-N 3.37Å; L250-A254 VanDerWaalsContact O-CB 3.28Å; L250-A254 WeakPolarHBondContact O-CB 3.31Å; L250-A254 PolarHBondContact O-N 3.49Å; L250-L268 HydrophobicContact CD1-CB 4.45Å; L250-L268 HydrophobicContact CD1-CD2 3.83Å; L250-L268 HydrophobicContact CD1-CG 3.95Å; L250-L268 HydrophobicContact CD2-CD2 3.75Å; L250-L268 HydrophobicContact CD2-CG 4.49Å; L250-L268 HydrophobicContact CG-CD2 4.45Å; L250-L269 HydrophobicContact CB-CD1 4.17Å; L250-L269 HydrophobicContact CB-CD2 3.67Å; L250-L269 HydrophobicContact CB-CG 3.74Å; L250-L269 HydrophobicContact CD1-CD2 4.19Å; L250-L269 HydrophobicContact CD1-CG 4.45Å
251	R	97.9	Very high	94.3	Very high	80 Å²	80	41.6 Å²	41.6	30%	0.302	22%	0.218	S	C	.	.	H	α-helix	trans	-63.3	-45.3	174.1	-75	172.5	-175.5	133.2	-1.4	112	L247 E248 Q249 G253 A254 G255 L269 E297	L247-R251 VanDerWaalsContact O-CG 3.29Å; L247-R251 WeakPolarHBondContact O-CG 3.32Å; L247-R251 PolarHBondContact O-N 2.87Å; E248-R251 WeakPolarHBondContact O-CB 3.37Å; E248-R251 PolarHBondContact O-N 3.13Å; Q249-R251 VanDerWaalsContact C-N 3.31Å; Q249-R251 PolarHBondContact O-N 3.31Å; R251-G253 VanDerWaalsContact C-N 3.34Å; R251-G253 PolarHBondContact O-N 3.49Å; R251-A254 PolarHBondContact O-N 3.47Å; R251-G255 PolarHBondContact O-N 3.32Å; R251-L269 HydrophobicContact CG-CD1 4.13Å; R251-L269 HydrophobicContact CG-CD2 4.44Å; R251-E297 WeakPolarHBondContact CD-OE1 3.13Å; R251-E297 WeakPolarHBondContact CG-OE1 3.47Å; R251-E297 IonicContact CZ-OE1 3.5Å; R251-E297 IonicContact CZ-OE2 3.3Å; R251-E297 VanDerWaalsContact NE-CD 3.34Å; R251-E297 IonicContact NE-OE1 3.59Å; R251-E297 PolarHBondContact NE-OE1 2.95Å; R251-E297 IonicContact NE-OE2 3.83Å; R251-E297 PolarHBondContact NE-OE2 2.8Å; R251-E297 VanDerWaalsContact NE-OE2 3.13Å; R251-E297 IonicContact NH2-OE1 2.67Å; R251-E297 IonicContact NH2-OE2 2.78Å; R251-E297 PolarHBondContact NH2-OE2 3.12Å
252	L	97.8	Very high	94.9	Very high	84 Å²	84	40.6 Å²	40.6	44%	0.44	21%	0.207	S	C	.	.	H	α-helix	trans	-57.6	-49.9	174.1	-69.9	172.8	0	0	0	110.3	E248 Q249 A254 G255 M256	E248-L252 WeakPolarHBondContact O-CG 3.47Å; E248-L252 PolarHBondContact O-N 3.22Å; Q249-L252 PolarHBondContact O-N 2.97Å; L252-A254 PolarHBondContact O-N 3.03Å; L252-G255 PolarHBondContact O-N 3.24Å; L252-M256 WeakPolarHBondContact O-CG 3.47Å; L252-M256 PolarHBondContact O-N 2.7Å
253	G	97.7	Very high	95.3	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.2	-43.9	176.5	0	0	0	0	0	113.5	Q249 L250 R251 G255 M256 G262	Q249-G253 PolarHBondContact O-N 3.41Å; L250-G253 PolarHBondContact O-N 3.37Å; R251-G253 VanDerWaalsContact C-N 3.34Å; R251-G253 PolarHBondContact O-N 3.49Å; G253-G255 VanDerWaalsContact C-N 3.33Å; G253-G255 PolarHBondContact O-N 2.79Å; G253-M256 WeakPolarHBondContact O-CB 3.33Å; G253-M256 PolarHBondContact O-N 3.35Å; G253-G262 WeakPolarHBondContact O-CA 3.47Å
254	A	97.4	Very high	95.6	Very high	7 Å²	7	39.7 Å²	39.7	6%	0.058	21%	0.205	C	C	.	.	H	α-helix	trans	-68.6	-31	178	0	0	0	0	0	112.9	L250 R251 L252 M256 C265 A266 L269 L301	L250-A254 VanDerWaalsContact O-CB 3.28Å; L250-A254 WeakPolarHBondContact O-CB 3.31Å; L250-A254 PolarHBondContact O-N 3.49Å; R251-A254 PolarHBondContact O-N 3.47Å; L252-A254 PolarHBondContact O-N 3.03Å; A254-M256 PolarHBondContact O-N 3.11Å; A254-C265 HydrophobicContact CB-CB 4.03Å; A254-A266 HydrophobicContact CB-CB 4.1Å; A254-L269 HydrophobicContact CB-CD1 3.88Å; A254-L301 HydrophobicContact CB-CD2 4.35Å
255	G	96.3	Very high	95.8	Very high	54 Å²	54	34.3 Å²	34.3	56%	0.557	18%	0.18	S	C	*	.	H	α-helix	trans	-67.4	-22.5	174.1	0	0	0	0	0	113.4	R251 L252 G253 K257	R251-G255 PolarHBondContact O-N 3.32Å; L252-G255 PolarHBondContact O-N 3.24Å; G253-G255 VanDerWaalsContact C-N 3.33Å; G253-G255 PolarHBondContact O-N 2.79Å; G255-K257 PolarHBondContact O-N 3.35Å
256	M	95.7	Very high	96	Very high	37 Å²	37	32.8 Å²	32.8	18%	0.182	17%	0.174	C	C	.	.			trans	-78	66.2	172.9	-57.8	172.7	79	0	0	111	S206 E209 L252 G253 A254 D258 S259	S206-M256 WeakPolarHBondContact O-CE 3.4Å; E209-M256 HydrophobicContact CB-CE 3.93Å; E209-M256 HydrophobicContact CB-SD 4.47Å; E209-M256 HydrophobicContact CG-CE 3.83Å; E209-M256 HydrophobicContact CG-SD 3.93Å; L252-M256 WeakPolarHBondContact O-CG 3.47Å; L252-M256 PolarHBondContact O-N 2.7Å; G253-M256 WeakPolarHBondContact O-CB 3.33Å; G253-M256 PolarHBondContact O-N 3.35Å; A254-M256 PolarHBondContact O-N 3.11Å; M256-D258 VanDerWaalsContact C-N 3.29Å; M256-D258 PolarHBondContact O-N 2.77Å; M256-D258 VanDerWaalsContact O-N 3.17Å; M256-S259 WeakPolarHBondContact CB-OG 3.35Å; M256-S259 VanDerWaalsContact O-CB 3.25Å; M256-S259 WeakPolarHBondContact O-CB 3.03Å; M256-S259 PolarHBondContact O-N 3.12Å; M256-S259 PolarHBondContact O-OG 3.04Å
257	K	88.9	Confident	96	Very high	97 Å²	97	34.2 Å²	34.2	42%	0.422	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-37.4	-170.3	-72.6	169.9	170	-166.3	0	115	G255 Y304	G255-K257 PolarHBondContact O-N 3.35Å; K257-Y304 HydrophobicContact CB-CE1 4.26Å; K257-Y304 WeakPolarHBondContact CB-OH 3.25Å; K257-Y304 HydrophobicContact CD-CD2 4.43Å; K257-Y304 HydrophobicContact CD-CE1 3.84Å; K257-Y304 HydrophobicContact CD-CE2 3.72Å; K257-Y304 VanDerWaalsContact CD-CZ 3.4Å; K257-Y304 WeakPolarHBondContact CD-OH 3.4Å; K257-Y304 HydrophobicContact CG-CE1 3.71Å; K257-Y304 HydrophobicContact CG-CE2 4.48Å
258	D	87.8	Confident	96.1	Very high	130 Å²	130	36.2 Å²	36.2	70%	0.695	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-4.5	-179.1	-62.5	-52.1	0	0	0	114	K50 M256	K50-D258 PolarHBondContact NZ-O 3.33Å; M256-D258 VanDerWaalsContact C-N 3.29Å; M256-D258 PolarHBondContact O-N 2.77Å; M256-D258 VanDerWaalsContact O-N 3.17Å
259	S	94	Very high	96	Very high	6 Å²	6	31.6 Å²	31.6	4%	0.042	17%	0.17	C	C	.	.	S	Bend	trans	-75.6	160.2	-178.6	75.8	0	0	0	0	112.4	S206 S210 M256 R261 G262	S206-S259 WeakPolarHBondContact OG-CB 3.3Å; S210-S259 WeakPolarHBondContact CB-OG 3.26Å; S210-S259 PolarHBondContact OG-OG 3.25Å; M256-S259 WeakPolarHBondContact CB-OG 3.35Å; M256-S259 VanDerWaalsContact O-CB 3.25Å; M256-S259 WeakPolarHBondContact O-CB 3.03Å; M256-S259 PolarHBondContact O-N 3.12Å; M256-S259 PolarHBondContact O-OG 3.04Å; S259-R261 VanDerWaalsContact C-N 3.29Å; S259-R261 PolarHBondContact O-N 3.43Å; S259-G262 PolarHBondContact O-N 3.46Å; S259-G262 PolarHBondContact OG-N 3.28Å
260	L	94.6	Very high	96	Very high	8 Å²	8	31.1 Å²	31.1	4%	0.042	17%	0.168	C	C	.	.	S	Bend	trans	-62.9	-32.7	-177.1	-176.7	55.4	0	0	0	113.2	I46 A49 K50 I53 Y77 A207	I46-L260 HydrophobicContact CG2-CD2 4.1Å; A49-L260 HydrophobicContact CB-CD1 4Å; A49-L260 HydrophobicContact CB-CD2 4Å; K50-L260 VanDerWaalsContact CA-CD1 3.41Å; K50-L260 HydrophobicContact CB-CD1 3.78Å; K50-L260 VanDerWaalsContact N-CD1 3.29Å; I53-L260 HydrophobicContact CD1-CD1 3.72Å; I53-L260 HydrophobicContact CD1-CG 4.38Å; I53-L260 WeakPolarHBondContact CD1-O 3.37Å; Y77-L260 HydrophobicContact CD1-CD2 3.83Å; Y77-L260 HydrophobicContact CE1-CD2 3.77Å; A207-L260 HydrophobicContact CB-CB 4.28Å
261	R	96.7	Very high	95.8	Very high	9 Å²	9	33 Å²	33	3%	0.034	18%	0.184	C	C	.	.	S	Bend	trans	-110	0.6	-178.5	-71.8	123	164.6	89.5	9.7	114.9	Y77 E154 L214 S259 L264 C265	Y77-R261 VanDerWaalsContact CE1-NH1 3.33Å; E154-R261 VanDerWaalsContact CD-NH2 3.31Å; E154-R261 IonicContact OE1-CZ 3.51Å; E154-R261 IonicContact OE1-NE 3.98Å; E154-R261 PolarHBondContact OE1-NE 3.22Å; E154-R261 IonicContact OE1-NH2 3.77Å; E154-R261 PolarHBondContact OE1-NH2 3.28Å; E154-R261 IonicContact OE2-CZ 2.62Å; E154-R261 IonicContact OE2-NE 2.77Å; E154-R261 IonicContact OE2-NH2 2.68Å; E154-R261 PolarHBondContact OE2-NH2 3.2Å; L214-R261 HydrophobicContact CD2-CB 4.25Å; L214-R261 HydrophobicContact CD2-CG 4.04Å; S259-R261 VanDerWaalsContact C-N 3.29Å; S259-R261 PolarHBondContact O-N 3.43Å; R261-L264 HydrophobicContact CG-CD1 4.03Å; R261-L264 WeakPolarHBondContact O-CA 3.48Å; R261-L264 WeakPolarHBondContact O-CB 3.31Å; R261-L264 PolarHBondContact O-N 2.96Å; R261-C265 PolarHBondContact O-N 2.86Å
262	G	96.8	Very high	95.6	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-44.3	-52.6	172.7	0	0	0	0	0	114.5	G253 S259 L264 C265 A266	G253-G262 WeakPolarHBondContact O-CA 3.47Å; S259-G262 PolarHBondContact O-N 3.46Å; S259-G262 PolarHBondContact OG-N 3.28Å; G262-L264 VanDerWaalsContact C-N 3.32Å; G262-L264 PolarHBondContact O-N 2.76Å; G262-C265 PolarHBondContact O-N 2.78Å; G262-A266 PolarHBondContact O-N 3.35Å; G262-A266 VanDerWaalsContact O-N 3.13Å
263	P	96.1	Very high	95.3	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.032	15%	0.152	C	C	.	.	H	α-helix	trans	-65.2	-32.9	177.2	23.9	-33.2	0	0	0	113.1	I53 L57 A266 L267 W305	I53-P263 HydrophobicContact CG2-CG 4.25Å; L57-P263 HydrophobicContact CD1-CB 3.84Å; L57-P263 HydrophobicContact CD1-CG 4.18Å; P263-A266 PolarHBondContact O-N 2.81Å; P263-L267 WeakPolarHBondContact O-CB 3.35Å; P263-L267 VanDerWaalsContact O-CG 3.26Å; P263-L267 WeakPolarHBondContact O-CG 3.47Å; P263-L267 PolarHBondContact O-N 3.22Å; P263-W305 HydrophobicContact CB-CE3 4.47Å; P263-W305 HydrophobicContact CB-CH2 3.81Å; P263-W305 HydrophobicContact CB-CZ2 4.09Å; P263-W305 HydrophobicContact CB-CZ3 4.02Å; P263-W305 HydrophobicContact CG-CH2 4.29Å
264	L	96.2	Very high	95.1	Very high	54 Å²	54	26.1 Å²	26.1	28%	0.283	15%	0.152	S	C	.	.	H	α-helix	trans	-70.6	-38.8	179.2	-58	-178	0	0	0	111.9	I53 L214 R261 G262 A266 L267 L268	I53-L264 HydrophobicContact CD1-CD1 4.47Å; L214-L264 HydrophobicContact CD1-CB 4.32Å; L214-L264 HydrophobicContact CD2-CB 4.05Å; L214-L264 HydrophobicContact CD2-CD1 4.23Å; R261-L264 HydrophobicContact CG-CD1 4.03Å; R261-L264 WeakPolarHBondContact O-CA 3.48Å; R261-L264 WeakPolarHBondContact O-CB 3.31Å; R261-L264 PolarHBondContact O-N 2.96Å; G262-L264 VanDerWaalsContact C-N 3.32Å; G262-L264 PolarHBondContact O-N 2.76Å; L264-A266 VanDerWaalsContact C-N 3.34Å; L264-L267 HydrophobicContact CD2-CD1 4.31Å; L264-L267 PolarHBondContact O-N 3.11Å; L264-L268 PolarHBondContact O-N 3.05Å
265	C	98.1	Very high	94.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.7	-45	171.7	-68.2	0	0	0	0	111	A254 R261 G262 L268 L269	A254-C265 HydrophobicContact CB-CB 4.03Å; R261-C265 PolarHBondContact O-N 2.86Å; G262-C265 PolarHBondContact O-N 2.78Å; C265-L268 PolarHBondContact O-N 2.99Å; C265-L269 PolarHBondContact O-N 2.75Å
266	A	97.9	Very high	94.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.1	-42.5	176.4	0	0	0	0	0	112.4	A254 G262 P263 L264 L268 L269 L270 L301 W305	A254-A266 HydrophobicContact CB-CB 4.1Å; G262-A266 PolarHBondContact O-N 3.35Å; G262-A266 VanDerWaalsContact O-N 3.13Å; P263-A266 PolarHBondContact O-N 2.81Å; L264-A266 VanDerWaalsContact C-N 3.34Å; A266-L268 VanDerWaalsContact C-N 3.28Å; A266-L268 PolarHBondContact O-N 3.25Å; A266-L269 PolarHBondContact O-N 3.05Å; A266-L270 WeakPolarHBondContact O-CB 3.34Å; A266-L270 VanDerWaalsContact O-CG 3.26Å; A266-L270 WeakPolarHBondContact O-CG 3.44Å; A266-L270 PolarHBondContact O-N 2.91Å; A266-L301 HydrophobicContact CB-CD2 4.12Å; A266-W305 HydrophobicContact CB-CZ2 4.36Å
267	L	97.2	Very high	94	Very high	30 Å²	30	25.3 Å²	25.3	16%	0.157	13%	0.134	C	C	.	.	H	α-helix	trans	-61.1	-37.5	175	-73.7	175.5	0	0	0	112.2	L57 P263 L264 L270 A271 I314 F315 L318	L57-L267 HydrophobicContact CD2-CD1 4.26Å; P263-L267 WeakPolarHBondContact O-CB 3.35Å; P263-L267 VanDerWaalsContact O-CG 3.26Å; P263-L267 WeakPolarHBondContact O-CG 3.47Å; P263-L267 PolarHBondContact O-N 3.22Å; L264-L267 HydrophobicContact CD2-CD1 4.31Å; L264-L267 PolarHBondContact O-N 3.11Å; L267-L270 PolarHBondContact O-N 3.33Å; L267-A271 WeakPolarHBondContact O-CB 3.44Å; L267-A271 PolarHBondContact O-N 2.94Å; L267-I314 HydrophobicContact CD1-CG2 4.48Å; L267-I314 HydrophobicContact CD2-CG2 3.42Å; L267-I314 VanDerWaalsContact CD2-CG2 3.42Å; L267-F315 HydrophobicContact CD2-CD1 4.16Å; L267-F315 HydrophobicContact CD2-CE1 3.59Å; L267-F315 HydrophobicContact CD2-CZ 3.85Å; L267-F315 HydrophobicContact CG-CE1 4.26Å; L267-F315 HydrophobicContact CG-CZ 4.17Å; L267-L318 HydrophobicContact CD2-CD1 3.54Å
268	L	96.5	Very high	93.7	Very high	52 Å²	52	21.1 Å²	21.1	27%	0.272	12%	0.116	S	C	.	.	H	α-helix	trans	-71.5	-39.4	177.7	-172.6	60	0	0	0	112.5	L214 A218 L250 L264 C265 A266 A271 Y272	L214-L268 HydrophobicContact CD1-CD2 4.21Å; A218-L268 HydrophobicContact CB-CD2 3.52Å; L250-L268 HydrophobicContact CD1-CB 4.45Å; L250-L268 HydrophobicContact CD1-CD2 3.83Å; L250-L268 HydrophobicContact CD1-CG 3.95Å; L250-L268 HydrophobicContact CD2-CD2 3.75Å; L250-L268 HydrophobicContact CD2-CG 4.49Å; L250-L268 HydrophobicContact CG-CD2 4.45Å; L264-L268 PolarHBondContact O-N 3.05Å; C265-L268 PolarHBondContact O-N 2.99Å; A266-L268 VanDerWaalsContact C-N 3.28Å; A266-L268 PolarHBondContact O-N 3.25Å; L268-A271 PolarHBondContact O-N 3.37Å; L268-Y272 PolarHBondContact O-N 3.23Å
269	L	97.1	Very high	93.3	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-58	-50.7	170.1	-75.8	169.6	0	0	0	110.6	L247 L250 R251 A254 C265 A266 A271 Y272 D273 L301	L247-L269 HydrophobicContact CD2-CD2 3.98Å; L250-L269 HydrophobicContact CB-CD1 4.17Å; L250-L269 HydrophobicContact CB-CD2 3.67Å; L250-L269 HydrophobicContact CB-CG 3.74Å; L250-L269 HydrophobicContact CD1-CD2 4.19Å; L250-L269 HydrophobicContact CD1-CG 4.45Å; R251-L269 HydrophobicContact CG-CD1 4.13Å; R251-L269 HydrophobicContact CG-CD2 4.44Å; A254-L269 HydrophobicContact CB-CD1 3.88Å; C265-L269 PolarHBondContact O-N 2.75Å; A266-L269 PolarHBondContact O-N 3.05Å; L269-A271 VanDerWaalsContact C-N 3.33Å; L269-A271 PolarHBondContact O-N 3.26Å; L269-Y272 WeakPolarHBondContact O-CB 3.12Å; L269-Y272 PolarHBondContact O-N 2.93Å; L269-Y272 VanDerWaalsContact O-N 3.08Å; L269-D273 WeakPolarHBondContact O-CB 3.39Å; L269-D273 PolarHBondContact O-N 3.42Å; L269-L301 HydrophobicContact CB-CD1 3.9Å; L269-L301 HydrophobicContact CD1-CD1 4Å
270	L	97.1	Very high	92.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.5	-40.3	178.1	-69.8	169	0	0	0	112.4	A266 L267 Y272 L274 A298 L301 L302 F315 L318	A266-L270 WeakPolarHBondContact O-CB 3.34Å; A266-L270 VanDerWaalsContact O-CG 3.26Å; A266-L270 WeakPolarHBondContact O-CG 3.44Å; A266-L270 PolarHBondContact O-N 2.91Å; L267-L270 PolarHBondContact O-N 3.33Å; L270-Y272 VanDerWaalsContact C-N 3.32Å; L270-Y272 PolarHBondContact O-N 3.18Å; L270-L274 HydrophobicContact CB-CD1 4.38Å; L270-L274 HydrophobicContact CD2-CD1 4.15Å; L270-L274 WeakPolarHBondContact O-CB 3.28Å; L270-L274 VanDerWaalsContact O-CG 3.22Å; L270-L274 WeakPolarHBondContact O-CG 3.47Å; L270-L274 PolarHBondContact O-N 2.84Å; L270-A298 HydrophobicContact CD2-CB 3.78Å; L270-A298 WeakPolarHBondContact CD2-O 3.43Å; L270-L301 HydrophobicContact CD2-CB 4.18Å; L270-L301 HydrophobicContact CD2-CD1 4.41Å; L270-L301 HydrophobicContact CG-CB 4.44Å; L270-L301 HydrophobicContact CG-CD1 4.32Å; L270-L302 HydrophobicContact CD1-CD2 3.95Å; L270-L302 HydrophobicContact CD1-CG 4.13Å; L270-L302 HydrophobicContact CD2-CD1 4.02Å; L270-L302 HydrophobicContact CD2-CD2 4.42Å; L270-L302 HydrophobicContact CD2-CG 3.79Å; L270-F315 HydrophobicContact CD1-CD1 4.25Å; L270-F315 HydrophobicContact CD1-CE1 4.1Å; L270-L318 HydrophobicContact CB-CD1 3.99Å; L270-L318 HydrophobicContact CB-CD2 4.39Å; L270-L318 HydrophobicContact CD1-CD1 3.83Å
271	A	94.7	Very high	91.4	Very high	40 Å²	40	19 Å²	19	33%	0.331	10%	0.103	S	C	.	.	H	α-helix	trans	-62.8	-40.7	175.4	0	0	0	0	0	111.7	L267 L268 L269 Y275 A276	L267-A271 WeakPolarHBondContact O-CB 3.44Å; L267-A271 PolarHBondContact O-N 2.94Å; L268-A271 PolarHBondContact O-N 3.37Å; L269-A271 VanDerWaalsContact C-N 3.33Å; L269-A271 PolarHBondContact O-N 3.26Å; A271-Y275 WeakPolarHBondContact O-CB 3.43Å; A271-Y275 PolarHBondContact O-N 2.93Å; A271-Y275 VanDerWaalsContact O-N 3.11Å; A271-A276 PolarHBondContact O-N 3.08Å
272	Y	93.1	Very high	89.6	Confident	16 Å²	16	19.7 Å²	19.7	6%	0.063	11%	0.107	C	C	.	.	I	π-helix	trans	-65.6	-54.3	174.9	172.2	-99.3	0	0	0	111.6	L221 M225 L247 L268 L269 L270 L274 A276 T277	L221-Y272 HydrophobicContact CD1-CD2 3.7Å; L221-Y272 HydrophobicContact CD1-CE2 3.57Å; L221-Y272 HydrophobicContact CD1-CG 4.24Å; L221-Y272 HydrophobicContact CD2-CD2 3.81Å; L221-Y272 HydrophobicContact CD2-CG 3.8Å; L221-Y272 HydrophobicContact CG-CD2 3.97Å; L221-Y272 HydrophobicContact CG-CE2 4.31Å; L221-Y272 HydrophobicContact CG-CG 4.44Å; M225-Y272 HydrophobicContact CG-CE2 4.42Å; M225-Y272 HydrophobicContact SD-CD2 3.77Å; M225-Y272 HydrophobicContact SD-CE2 3.73Å; L247-Y272 HydrophobicContact CD1-CE1 4.03Å; L247-Y272 HydrophobicContact CD2-CD1 3.59Å; L247-Y272 HydrophobicContact CD2-CE1 3.64Å; L247-Y272 HydrophobicContact CD2-CG 4.3Å; L247-Y272 HydrophobicContact CG-CE1 4.42Å; L268-Y272 PolarHBondContact O-N 3.23Å; L269-Y272 WeakPolarHBondContact O-CB 3.12Å; L269-Y272 PolarHBondContact O-N 2.93Å; L269-Y272 VanDerWaalsContact O-N 3.08Å; L270-Y272 VanDerWaalsContact C-N 3.32Å; L270-Y272 PolarHBondContact O-N 3.18Å; Y272-L274 VanDerWaalsContact C-N 3.34Å; Y272-L274 PolarHBondContact O-N 3.45Å; Y272-A276 HydrophobicContact CD2-CB 3.74Å; Y272-A276 HydrophobicContact CE2-CB 4.37Å; Y272-A276 HydrophobicContact CG-CB 4.41Å; Y272-A276 WeakPolarHBondContact O-CA 3.11Å; Y272-A276 WeakPolarHBondContact O-CB 3.41Å; Y272-A276 PolarHBondContact O-N 3.47Å; Y272-T277 HydrophobicContact CD1-CG2 4.27Å; Y272-T277 HydrophobicContact CE1-CG2 3.82Å; Y272-T277 HydrophobicContact CE2-CG2 4.42Å; Y272-T277 WeakPolarHBondContact O-CG2 3.47Å; Y272-T277 PolarHBondContact O-N 2.9Å; Y272-T277 PolarHBondContact O-OG1 3.49Å
273	D	92.1	Very high	87.4	Confident	2 Å²	2	20.5 Å²	20.5	1%	0.011	11%	0.113	C	C	.	.	I	π-helix	trans	-67	-31	-173.7	-68.6	-29.7	0	0	0	113.5	L269 T277 H294 A298	L269-D273 WeakPolarHBondContact O-CB 3.39Å; L269-D273 PolarHBondContact O-N 3.42Å; D273-T277 PolarHBondContact O-OG1 3.25Å; D273-H294 HydrophobicContact CB-CB 4.36Å; D273-A298 HydrophobicContact CB-CB 4.21Å
274	L	93	Very high	84.9	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.119	C	C	.	.	I	π-helix	trans	-103	-23.3	-173.8	-55.7	-179.4	0	0	0	114.4	L270 Y272 A298 L302 L318 R321 L322 I325	L270-L274 HydrophobicContact CB-CD1 4.38Å; L270-L274 HydrophobicContact CD2-CD1 4.15Å; L270-L274 WeakPolarHBondContact O-CB 3.28Å; L270-L274 VanDerWaalsContact O-CG 3.22Å; L270-L274 WeakPolarHBondContact O-CG 3.47Å; L270-L274 PolarHBondContact O-N 2.84Å; Y272-L274 VanDerWaalsContact C-N 3.34Å; Y272-L274 PolarHBondContact O-N 3.45Å; L274-A298 HydrophobicContact CD2-CB 3.86Å; L274-A298 HydrophobicContact CG-CB 4.35Å; L274-L302 HydrophobicContact CD1-CD1 4.37Å; L274-L318 HydrophobicContact CD1-CB 4.16Å; L274-L318 HydrophobicContact CD1-CD2 4.2Å; L274-L318 WeakPolarHBondContact CD1-O 3.49Å; L274-R321 HydrophobicContact CB-CG 3.9Å; L274-R321 PolarHBondContact O-NE 2.88Å; L274-L322 HydrophobicContact CD1-CB 4.34Å; L274-L322 HydrophobicContact CD2-CB 4.03Å; L274-L322 HydrophobicContact CD2-CD1 3.86Å; L274-I325 HydrophobicContact CD2-CD1 3.53Å; L274-I325 HydrophobicContact CD2-CG1 4.49Å
275	Y	91.2	Very high	82.4	Confident	57 Å²	57	20.7 Å²	20.7	22%	0.224	12%	0.116	C	C	.	.	I	π-helix	trans	-117.7	-52.3	178.7	-67.3	-84	0	0	0	112.9	A271 H278 M279 L318 R321 E356	A271-Y275 WeakPolarHBondContact O-CB 3.43Å; A271-Y275 PolarHBondContact O-N 2.93Å; A271-Y275 VanDerWaalsContact O-N 3.11Å; Y275-H278 PolarHBondContact O-N 3.3Å; Y275-M279 WeakPolarHBondContact O-CB 3.43Å; Y275-M279 VanDerWaalsContact O-CG 3.3Å; Y275-M279 WeakPolarHBondContact O-CG 3.33Å; Y275-M279 PolarHBondContact O-N 2.9Å; Y275-L318 HydrophobicContact CE2-CD2 3.91Å; Y275-R321 HydrophobicContact CE1-CG 4.14Å; Y275-R321 HydrophobicContact CE2-CG 4Å; Y275-E356 WeakPolarHBondContact CE1-OE1 3.37Å; Y275-E356 PolarHBondContact OH-OE1 3.37Å
276	A	88.3	Confident	79.9	Confident	22 Å²	22	23.5 Å²	23.5	18%	0.182	14%	0.136	C	C	.	.	I	π-helix	trans	-65.4	-51.2	-173.4	0	0	0	0	0	111.9	M225 A271 Y272 H278 M279 L280	M225-A276 HydrophobicContact SD-CB 3.96Å; A271-A276 PolarHBondContact O-N 3.08Å; Y272-A276 HydrophobicContact CD2-CB 3.74Å; Y272-A276 HydrophobicContact CE2-CB 4.37Å; Y272-A276 HydrophobicContact CG-CB 4.41Å; Y272-A276 WeakPolarHBondContact O-CA 3.11Å; Y272-A276 WeakPolarHBondContact O-CB 3.41Å; Y272-A276 PolarHBondContact O-N 3.47Å; A276-H278 VanDerWaalsContact C-N 3.29Å; A276-H278 PolarHBondContact O-N 3.45Å; A276-M279 PolarHBondContact O-N 2.89Å; A276-M279 VanDerWaalsContact O-N 3.08Å; A276-L280 WeakPolarHBondContact O-CB 3.11Å; A276-L280 VanDerWaalsContact O-CG 3.24Å; A276-L280 WeakPolarHBondContact O-CG 3.43Å; A276-L280 PolarHBondContact O-N 2.79Å
277	T	85.9	Confident	77.3	Confident	2 Å²	2	29.2 Å²	29.2	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-53.7	-44.5	177	56.5	0	0	0	0	111.8	Y272 D273 L280 G281 D282	Y272-T277 HydrophobicContact CD1-CG2 4.27Å; Y272-T277 HydrophobicContact CE1-CG2 3.82Å; Y272-T277 HydrophobicContact CE2-CG2 4.42Å; Y272-T277 WeakPolarHBondContact O-CG2 3.47Å; Y272-T277 PolarHBondContact O-N 2.9Å; Y272-T277 PolarHBondContact O-OG1 3.49Å; D273-T277 PolarHBondContact O-OG1 3.25Å; T277-L280 PolarHBondContact O-N 2.87Å; T277-G281 PolarHBondContact O-N 3.04Å; T277-G281 VanDerWaalsContact O-N 3.09Å; T277-D282 VanDerWaalsContact O-CB 3.32Å; T277-D282 WeakPolarHBondContact O-CB 3.46Å; T277-D282 PolarHBondContact O-N 3.08Å
278	H	84.3	Confident	74.8	Confident	10 Å²	10	30.4 Å²	30.4	5%	0.046	18%	0.181	C	C	.	.	H	α-helix	trans	-64.7	-41.6	177.5	-175.4	72.4	0	0	0	112.4	Y275 A276 G281 W472 N473 M477	Y275-H278 PolarHBondContact O-N 3.3Å; A276-H278 VanDerWaalsContact C-N 3.29Å; A276-H278 PolarHBondContact O-N 3.45Å; H278-G281 PolarHBondContact O-N 2.66Å; H278-W472 PolarHBondContact NE2-O 3.05Å; H278-N473 PolarHBondContact CE1-O 2.96Å; H278-N473 PolarHBondContact NE2-O 3.42Å; H278-N473 PolarHBondContact O-ND2 2.7Å; H278-M477 VanDerWaalsContact CE1-CE 3.48Å; H278-M477 WeakPolarHBondContact CE1-CE 3.38Å; H278-M477 VanDerWaalsContact NE2-CE 3.31Å; H278-M477 WeakPolarHBondContact NE2-CE 3.48Å
279	M	79.2	Confident	72.5	Confident	86 Å²	86	33.9 Å²	33.9	42%	0.424	21%	0.21	S	C	.	.	H	α-helix	trans	-68.9	-36.7	177.2	-72.9	-174.5	77.6	0	0	113	Y275 A276 G281	Y275-M279 WeakPolarHBondContact O-CB 3.43Å; Y275-M279 VanDerWaalsContact O-CG 3.3Å; Y275-M279 WeakPolarHBondContact O-CG 3.33Å; Y275-M279 PolarHBondContact O-N 2.9Å; A276-M279 PolarHBondContact O-N 2.89Å; A276-M279 VanDerWaalsContact O-N 3.08Å; M279-G281 PolarHBondContact O-N 2.81Å
280	L	77.5	Confident	70.3	Confident	11 Å²	11	41.5 Å²	41.5	6%	0.058	25%	0.246	C	C	.	.	H	α-helix	trans	-72.6	-14.5	175.8	-64.3	177	0	0	0	112.3	M225 A276 T277 F595 R596 E599	M225-L280 HydrophobicContact CB-CD1 4.44Å; M225-L280 HydrophobicContact CG-CD1 4Å; M225-L280 HydrophobicContact SD-CD1 4.03Å; A276-L280 WeakPolarHBondContact O-CB 3.11Å; A276-L280 VanDerWaalsContact O-CG 3.24Å; A276-L280 WeakPolarHBondContact O-CG 3.43Å; A276-L280 PolarHBondContact O-N 2.79Å; T277-L280 PolarHBondContact O-N 2.87Å; L280-F595 HydrophobicContact CD2-CB 3.78Å; L280-F595 HydrophobicContact CD2-CD1 3.67Å; L280-F595 HydrophobicContact CD2-CG 4.08Å; L280-R596 WeakPolarHBondContact O-CA 3.47Å; L280-E599 HydrophobicContact CB-CB 4.43Å; L280-E599 HydrophobicContact CB-CG 4.32Å
281	G	69.7	Low	68.6	Low	3 Å²	3	46.6 Å²	46.6	3%	0.031	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	13.5	-178.8	0	0	0	0	0	114	T277 H278 M279 S283 K476	T277-G281 PolarHBondContact O-N 3.04Å; T277-G281 VanDerWaalsContact O-N 3.09Å; H278-G281 PolarHBondContact O-N 2.66Å; M279-G281 PolarHBondContact O-N 2.81Å; G281-S283 PolarHBondContact O-N 2.76Å; G281-K476 PolarHBondContact O-NZ 3.48Å
282	D	59.4	Low	67.5	Low	23 Å²	23	46 Å²	46	12%	0.123	26%	0.262	C	S	.	.			trans	-67.9	-18.4	-176.1	-161.8	52.1	0	0	0	112.9	T277 V284 E599 R603	T277-D282 VanDerWaalsContact O-CB 3.32Å; T277-D282 WeakPolarHBondContact O-CB 3.46Å; T277-D282 PolarHBondContact O-N 3.08Å; D282-V284 PolarHBondContact O-N 3.35Å; D282-E599 HydrophobicContact CB-CG 4.26Å; D282-E599 VanDerWaalsContact OD1-OE1 3.09Å; D282-R603 PolarHBondContact O-NH2 2.86Å; D282-R603 IonicContact OD1-CZ 2.66Å; D282-R603 IonicContact OD1-NE 2.71Å; D282-R603 PolarHBondContact OD1-NE 2.82Å; D282-R603 IonicContact OD1-NH2 2.81Å; D282-R603 PolarHBondContact OD1-NH2 3.5Å; D282-R603 IonicContact OD2-NH2 3.85Å
283	S	49.9	Very low	66.7	Low	16 Å²	16	52.9 Å²	52.9	11%	0.112	30%	0.295	C	S	.	.			trans	-71.4	42.9	175.2	63.8	0	0	0	0	114	G281 V285	G281-S283 PolarHBondContact O-N 2.76Å; S283-V285 PolarHBondContact O-N 3.48Å
284	V	45.2	Very low	66.2	Low	27 Å²	27	54.2 Å²	54.2	16%	0.164	30%	0.301	C	S	.	.			trans	-65.7	76.2	156.8	-172.5	0	0	0	0	106.6	D282 S286 E567	D282-V284 PolarHBondContact O-N 3.35Å; V284-S286 PolarHBondContact O-N 2.93Å; V284-E567 HydrophobicContact CG1-CG 4.16Å; V284-E567 WeakPolarHBondContact CG1-OE1 3.23Å
285	V	43.3	Very low	65.9	Low	36 Å²	36	54.7 Å²	54.7	22%	0.218	30%	0.303	C	S	.	.			trans	-65.7	92.7	149.6	-179.3	0	0	0	0	102.4	S283 P292 Q479	S283-V285 PolarHBondContact O-N 3.48Å; V285-P292 HydrophobicContact CG2-CG 3.62Å; V285-Q479 PolarHBondContact O-NE2 3.4Å
286	S	44.7	Very low	65.8	Low	60 Å²	60	57.9 Å²	57.9	42%	0.42	32%	0.318	S	S	.	.			trans	-45.4	148.4	160	36.9	0	0	0	0	106.8	V284 S288	V284-S286 PolarHBondContact O-N 2.93Å; S286-S288 CarbonylContact O-C 3.59Å; S286-S288 WeakPolarHBondContact O-CA 3.47Å; S286-S288 PolarHBondContact O-N 2.68Å; S286-S288 PolarHBondContact O-OG 2.98Å; S286-S288 PolarHBondContact OG-OG 2.94Å
287	V	43.7	Very low	66	Low	119 Å²	119	58.4 Å²	58.4	72%	0.721	32%	0.317	S	S	*	.	S	Bend	trans	-53	-7.2	-179.7	-177.4	0	0	0	0	113.1	S289	V287-S289 PolarHBondContact O-N 3.41Å
288	S	44.7	Very low	66.4	Low	55 Å²	55	58.3 Å²	58.3	39%	0.385	32%	0.316	S	S	.	.	S	Bend	trans	-45	123.1	158.5	58.3	0	0	0	0	112.4	S286 E290	S286-S288 CarbonylContact O-C 3.59Å; S286-S288 WeakPolarHBondContact O-CA 3.47Å; S286-S288 PolarHBondContact O-N 2.68Å; S286-S288 PolarHBondContact O-OG 2.98Å; S286-S288 PolarHBondContact OG-OG 2.94Å; S288-E290 PolarHBondContact O-N 3.26Å
289	S	47.4	Very low	67	Low	126 Å²	126	60.5 Å²	60.5	88%	0.881	32%	0.324	S	S	*	.	S	Bend	trans	-60.2	-4.5	177.7	-178.4	0	0	0	0	115.3	V287	V287-S289 PolarHBondContact O-N 3.41Å
290	E	51.6	Low	67.8	Low	161 Å²	161	61.7 Å²	61.7	75%	0.752	33%	0.329	S	S	*	.	S	Bend	trans	-81.2	128.9	-177.4	-67.8	-178.6	-178.7	0	0	110.7	S288	S288-E290 PolarHBondContact O-N 3.26Å
291	Q	62.3	Low	68.7	Low	107 Å²	107	62.4 Å²	62.4	50%	0.5	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-64.9	137.2	173	-71.3	-173.7	-7.7	0	0	109.5
292	P	72.2	Confident	70	Confident	26 Å²	26	62.5 Å²	62.5	17%	0.169	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-52.7	143.4	171.7	-25.1	32.4	0	0	0	112	V285 H294 M295 K296	V285-P292 HydrophobicContact CG2-CG 3.62Å; P292-H294 VanDerWaalsContact C-N 3.26Å; P292-H294 WeakPolarHBondContact CB-CE1 3.36Å; P292-H294 WeakPolarHBondContact CB-ND1 3.35Å; P292-H294 PolarHBondContact O-N 2.84Å; P292-M295 HydrophobicContact CB-CG 4.29Å; P292-M295 HydrophobicContact CG-CG 4.35Å; P292-M295 HydrophobicContact CG-SD 3.98Å; P292-M295 WeakPolarHBondContact O-CB 3.45Å; P292-M295 PolarHBondContact O-N 2.85Å; P292-K296 PolarHBondContact O-N 3.05Å
293	E	76.3	Confident	71.8	Confident	162 Å²	162	66 Å²	66	76%	0.757	35%	0.351	S	S	*	.	H	α-helix	trans	-53.7	-41	-178.6	-172.2	176.2	-172.5	0	0	112.8	M295 K296 E297	E293-M295 VanDerWaalsContact C-N 3.27Å; E293-M295 PolarHBondContact O-N 3.08Å; E293-K296 WeakPolarHBondContact O-CB 3.38Å; E293-K296 PolarHBondContact O-N 3.29Å; E293-K296 VanDerWaalsContact O-N 3.1Å; E293-E297 PolarHBondContact O-N 3.11Å
294	H	81.6	Confident	74	Confident	29 Å²	29	68.1 Å²	68.1	13%	0.134	36%	0.357	C	S	.	.	H	α-helix	trans	-62.3	-31.1	177.1	64.2	-96.9	0	0	0	113.2	D273 P292 A298	D273-H294 HydrophobicContact CB-CB 4.36Å; P292-H294 VanDerWaalsContact C-N 3.26Å; P292-H294 WeakPolarHBondContact CB-CE1 3.36Å; P292-H294 WeakPolarHBondContact CB-ND1 3.35Å; P292-H294 PolarHBondContact O-N 2.84Å; H294-A298 WeakPolarHBondContact O-CB 3.21Å; H294-A298 PolarHBondContact O-N 3.4Å
295	M	85.6	Confident	76.5	Confident	10 Å²	10	67 Å²	67	5%	0.049	35%	0.35	C	S	.	.	H	α-helix	trans	-72.8	-33.4	176	-66.8	-175.2	61.8	0	0	111.8	P292 E293 R299 L322 I325 S326	P292-M295 HydrophobicContact CB-CG 4.29Å; P292-M295 HydrophobicContact CG-CG 4.35Å; P292-M295 HydrophobicContact CG-SD 3.98Å; P292-M295 WeakPolarHBondContact O-CB 3.45Å; P292-M295 PolarHBondContact O-N 2.85Å; E293-M295 VanDerWaalsContact C-N 3.27Å; E293-M295 PolarHBondContact O-N 3.08Å; M295-R299 WeakPolarHBondContact O-CB 2.99Å; M295-R299 PolarHBondContact O-N 3.16Å; M295-R299 VanDerWaalsContact O-N 3.1Å; M295-L322 HydrophobicContact CE-CD1 4.37Å; M295-I325 HydrophobicContact CE-CD1 4.13Å; M295-I325 HydrophobicContact CE-CG1 3.96Å; M295-I325 HydrophobicContact CG-CD1 4.26Å; M295-I325 HydrophobicContact SD-CD1 4.39Å; M295-S326 WeakPolarHBondContact CE-OG 3.48Å
296	K	89.6	Confident	79	Confident	124 Å²	124	67.4 Å²	67.4	54%	0.539	35%	0.354	S	S	.	.	H	α-helix	trans	-65.9	-48.2	173.5	-175.4	-172.1	173.9	-163.8	0	110.5	P292 E293 A298 R299 E300	P292-K296 PolarHBondContact O-N 3.05Å; E293-K296 WeakPolarHBondContact O-CB 3.38Å; E293-K296 PolarHBondContact O-N 3.29Å; E293-K296 VanDerWaalsContact O-N 3.1Å; K296-A298 PolarHBondContact O-N 3.2Å; K296-R299 WeakPolarHBondContact O-CB 3.33Å; K296-R299 PolarHBondContact O-N 2.83Å; K296-E300 WeakPolarHBondContact CE-OE1 3.3Å; K296-E300 IonicContact NZ-OE1 3.76Å; K296-E300 PolarHBondContact O-N 2.93Å
297	E	91.8	Very high	81.4	Confident	33 Å²	33	70.8 Å²	70.8	15%	0.154	37%	0.366	C	S	.	.	H	α-helix	trans	-59	-46.7	176.7	-176.5	173	-173	0	0	111.8	R251 E293 R299 E300 L301	R251-E297 WeakPolarHBondContact CD-OE1 3.13Å; R251-E297 WeakPolarHBondContact CG-OE1 3.47Å; R251-E297 IonicContact CZ-OE1 3.5Å; R251-E297 IonicContact CZ-OE2 3.3Å; R251-E297 VanDerWaalsContact NE-CD 3.34Å; R251-E297 IonicContact NE-OE1 3.59Å; R251-E297 PolarHBondContact NE-OE1 2.95Å; R251-E297 IonicContact NE-OE2 3.83Å; R251-E297 PolarHBondContact NE-OE2 2.8Å; R251-E297 VanDerWaalsContact NE-OE2 3.13Å; R251-E297 IonicContact NH2-OE1 2.67Å; R251-E297 IonicContact NH2-OE2 2.78Å; R251-E297 PolarHBondContact NH2-OE2 3.12Å; E293-E297 PolarHBondContact O-N 3.11Å; E297-R299 VanDerWaalsContact C-N 3.27Å; E297-R299 PolarHBondContact O-N 3.17Å; E297-E300 PolarHBondContact O-N 2.89Å; E297-L301 HydrophobicContact CG-CD1 4.48Å; E297-L301 PolarHBondContact O-N 3.11Å
298	A	95.1	Very high	83.9	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-59	-38.4	176.3	0	0	0	0	0	112.6	L270 D273 L274 H294 K296 L302 L322	L270-A298 HydrophobicContact CD2-CB 3.78Å; L270-A298 WeakPolarHBondContact CD2-O 3.43Å; D273-A298 HydrophobicContact CB-CB 4.21Å; L274-A298 HydrophobicContact CD2-CB 3.86Å; L274-A298 HydrophobicContact CG-CB 4.35Å; H294-A298 WeakPolarHBondContact O-CB 3.21Å; H294-A298 PolarHBondContact O-N 3.4Å; K296-A298 PolarHBondContact O-N 3.2Å; A298-L302 WeakPolarHBondContact O-CB 3.15Å; A298-L302 WeakPolarHBondContact O-CD1 3.35Å; A298-L302 WeakPolarHBondContact O-CG 3.32Å; A298-L302 PolarHBondContact O-N 3.31Å; A298-L322 HydrophobicContact CB-CD1 4.38Å
299	R	95.7	Very high	86.4	Confident	57 Å²	57	66.6 Å²	66.6	22%	0.215	33%	0.333	C	S	.	.	H	α-helix	trans	-65.7	-46	176.1	-171.1	170.6	-63.2	-79.2	0.4	111.9	M295 K296 E297 L301 L302 D303 L322 E323	M295-R299 WeakPolarHBondContact O-CB 2.99Å; M295-R299 PolarHBondContact O-N 3.16Å; M295-R299 VanDerWaalsContact O-N 3.1Å; K296-R299 WeakPolarHBondContact O-CB 3.33Å; K296-R299 PolarHBondContact O-N 2.83Å; E297-R299 VanDerWaalsContact C-N 3.27Å; E297-R299 PolarHBondContact O-N 3.17Å; R299-L301 VanDerWaalsContact C-N 3.34Å; R299-L301 PolarHBondContact O-N 3.27Å; R299-L302 PolarHBondContact O-N 3.45Å; R299-D303 WeakPolarHBondContact O-CB 3.17Å; R299-D303 VanDerWaalsContact O-CG 3.25Å; R299-D303 PolarHBondContact O-N 3.49Å; R299-L322 HydrophobicContact CB-CD2 3.81Å; R299-L322 HydrophobicContact CG-CD2 4.11Å; R299-E323 IonicContact CZ-OE1 3.86Å; R299-E323 IonicContact NH1-OE1 3.57Å; R299-E323 PolarHBondContact NH1-OE1 3.48Å; R299-E323 IonicContact NH2-OE1 3.96Å; R299-E323 PolarHBondContact NH2-OE1 3.29Å
300	E	95.9	Very high	88.8	Confident	111 Å²	111	63.6 Å²	63.6	52%	0.519	31%	0.311	S	S	.	.	H	α-helix	trans	-61.3	-41.8	178.3	-70.5	175.3	-176.3	0	0	111.9	K296 E297 Y304	K296-E300 WeakPolarHBondContact CE-OE1 3.3Å; K296-E300 IonicContact NZ-OE1 3.76Å; K296-E300 PolarHBondContact O-N 2.93Å; E297-E300 PolarHBondContact O-N 2.89Å; E300-Y304 PolarHBondContact O-N 2.85Å; E300-Y304 VanDerWaalsContact O-N 3.13Å
301	L	96.9	Very high	90.9	Very high	26 Å²	26	60 Å²	60	14%	0.136	30%	0.297	C	S	.	.	H	α-helix	trans	-61.5	-47.2	173.5	-74.1	173.9	0	0	0	111.5	A254 A266 L269 L270 E297 R299 Y304 W305	A254-L301 HydrophobicContact CB-CD2 4.35Å; A266-L301 HydrophobicContact CB-CD2 4.12Å; L269-L301 HydrophobicContact CB-CD1 3.9Å; L269-L301 HydrophobicContact CD1-CD1 4Å; L270-L301 HydrophobicContact CD2-CB 4.18Å; L270-L301 HydrophobicContact CD2-CD1 4.41Å; L270-L301 HydrophobicContact CG-CB 4.44Å; L270-L301 HydrophobicContact CG-CD1 4.32Å; E297-L301 HydrophobicContact CG-CD1 4.48Å; E297-L301 PolarHBondContact O-N 3.11Å; R299-L301 VanDerWaalsContact C-N 3.34Å; R299-L301 PolarHBondContact O-N 3.27Å; L301-Y304 PolarHBondContact O-N 3.27Å; L301-W305 PolarHBondContact O-N 3.39Å
302	L	97.7	Very high	92.5	Very high	4 Å²	4	55 Å²	55	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-66.1	-39.4	-179.9	-77.6	164.9	0	0	0	112.5	L270 L274 A298 R299 Y304 W305 S306 F315 L318 A319 L322	L270-L302 HydrophobicContact CD1-CD2 3.95Å; L270-L302 HydrophobicContact CD1-CG 4.13Å; L270-L302 HydrophobicContact CD2-CD1 4.02Å; L270-L302 HydrophobicContact CD2-CD2 4.42Å; L270-L302 HydrophobicContact CD2-CG 3.79Å; L274-L302 HydrophobicContact CD1-CD1 4.37Å; A298-L302 WeakPolarHBondContact O-CB 3.15Å; A298-L302 WeakPolarHBondContact O-CD1 3.35Å; A298-L302 WeakPolarHBondContact O-CG 3.32Å; A298-L302 PolarHBondContact O-N 3.31Å; R299-L302 PolarHBondContact O-N 3.45Å; L302-Y304 VanDerWaalsContact C-N 3.32Å; L302-Y304 PolarHBondContact O-N 2.94Å; L302-W305 PolarHBondContact O-N 3.48Å; L302-S306 WeakPolarHBondContact O-CB 3.45Å; L302-S306 PolarHBondContact O-N 2.99Å; L302-S306 PolarHBondContact O-OG 2.6Å; L302-F315 HydrophobicContact CD2-CB 4.49Å; L302-F315 HydrophobicContact CD2-CD1 4.12Å; L302-L318 HydrophobicContact CD2-CB 3.85Å; L302-A319 HydrophobicContact CD1-CB 4.45Å; L302-A319 HydrophobicContact CD2-CB 4.34Å; L302-L322 HydrophobicContact CD1-CB 3.93Å; L302-L322 HydrophobicContact CD1-CD2 3.67Å; L302-L322 HydrophobicContact CD1-CG 4.41Å
303	D	96.9	Very high	93.7	Very high	97 Å²	97	53.7 Å²	53.7	52%	0.519	27%	0.265	S	S	.	.	H	α-helix	trans	-61.7	-42.7	176.9	-73.8	-17.4	0	0	0	110.6	R299 I307	R299-D303 WeakPolarHBondContact O-CB 3.17Å; R299-D303 VanDerWaalsContact O-CG 3.25Å; R299-D303 PolarHBondContact O-N 3.49Å; D303-I307 WeakPolarHBondContact O-CG1 3.19Å
304	Y	96.9	Very high	94.6	Very high	61 Å²	61	47.1 Å²	47.1	24%	0.239	24%	0.235	C	C	.	.	H	α-helix	trans	-66.4	-53.7	175.7	177.9	-101.1	0	0	0	112.3	K257 E300 L301 L302 S306 I307 I308	K257-Y304 HydrophobicContact CB-CE1 4.26Å; K257-Y304 WeakPolarHBondContact CB-OH 3.25Å; K257-Y304 HydrophobicContact CD-CD2 4.43Å; K257-Y304 HydrophobicContact CD-CE1 3.84Å; K257-Y304 HydrophobicContact CD-CE2 3.72Å; K257-Y304 VanDerWaalsContact CD-CZ 3.4Å; K257-Y304 WeakPolarHBondContact CD-OH 3.4Å; K257-Y304 HydrophobicContact CG-CE1 3.71Å; K257-Y304 HydrophobicContact CG-CE2 4.48Å; E300-Y304 PolarHBondContact O-N 2.85Å; E300-Y304 VanDerWaalsContact O-N 3.13Å; L301-Y304 PolarHBondContact O-N 3.27Å; L302-Y304 VanDerWaalsContact C-N 3.32Å; L302-Y304 PolarHBondContact O-N 2.94Å; Y304-S306 VanDerWaalsContact C-N 3.29Å; Y304-S306 PolarHBondContact O-N 3.16Å; Y304-I307 WeakPolarHBondContact O-CB 3.47Å; Y304-I307 PolarHBondContact O-N 2.72Å; Y304-I307 VanDerWaalsContact O-N 3.08Å; Y304-I308 HydrophobicContact CE1-CG1 4.05Å; Y304-I308 HydrophobicContact CE2-CD1 4.5Å; Y304-I308 HydrophobicContact CE2-CG1 4.5Å; Y304-I308 PolarHBondContact O-N 2.73Å
305	W	96.1	Very high	95.4	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.015	23%	0.229	C	C	.	.	H	α-helix	trans	-71.3	-23	-175.1	-70.4	114.5	0	0	0	113.5	P263 A266 L301 L302 I307 I308 Y309 F315	P263-W305 HydrophobicContact CB-CE3 4.47Å; P263-W305 HydrophobicContact CB-CH2 3.81Å; P263-W305 HydrophobicContact CB-CZ2 4.09Å; P263-W305 HydrophobicContact CB-CZ3 4.02Å; P263-W305 HydrophobicContact CG-CH2 4.29Å; A266-W305 HydrophobicContact CB-CZ2 4.36Å; L301-W305 PolarHBondContact O-N 3.39Å; L302-W305 PolarHBondContact O-N 3.48Å; W305-I307 VanDerWaalsContact C-N 3.25Å; W305-I307 PolarHBondContact O-N 3.36Å; W305-I308 HydrophobicContact CE3-CB 4.11Å; W305-I308 HydrophobicContact CE3-CG1 4.17Å; W305-I308 HydrophobicContact CE3-CG2 4.38Å; W305-I308 HydrophobicContact CZ3-CG1 4.42Å; W305-I308 HydrophobicContact CZ3-CG2 4.36Å; W305-I308 PolarHBondContact O-N 3.28Å; W305-Y309 AromaticContact CE3-CD2 3.87Å; W305-Y309 HydrophobicContact CE3-CD2 3.87Å; W305-Y309 AromaticContact CE3-CE2 3.54Å; W305-Y309 HydrophobicContact CE3-CE2 3.54Å; W305-Y309 HydrophobicContact CZ3-CD2 4.48Å; W305-Y309 AromaticContact CZ3-CE2 3.7Å; W305-Y309 HydrophobicContact CZ3-CE2 3.7Å; W305-Y309 PolarHBondContact O-N 3Å; W305-F315 HydrophobicContact CB-CD1 3.79Å; W305-F315 HydrophobicContact CB-CD2 4.24Å; W305-F315 HydrophobicContact CB-CE1 3.51Å; W305-F315 HydrophobicContact CB-CE2 4Å; W305-F315 HydrophobicContact CB-CG 4.15Å; W305-F315 HydrophobicContact CB-CZ 3.63Å; W305-F315 AromaticContact CD1-CE1 3.96Å; W305-F315 HydrophobicContact CD2-CZ 4.09Å; W305-F315 HydrophobicContact CG-CD1 4.47Å; W305-F315 AromaticContact CG-CE1 3.73Å; W305-F315 HydrophobicContact CG-CE1 3.73Å; W305-F315 HydrophobicContact CG-CE2 4.42Å; W305-F315 AromaticContact CG-CZ 3.7Å; W305-F315 HydrophobicContact CG-CZ 3.7Å
306	S	95.8	Very high	96	Very high	43 Å²	43	45.7 Å²	45.7	30%	0.301	23%	0.228	S	C	.	.	H	α-helix	trans	-71.4	-18.8	171.5	-60.5	0	0	0	0	112.9	L302 Y304 P310	L302-S306 WeakPolarHBondContact O-CB 3.45Å; L302-S306 PolarHBondContact O-N 2.99Å; L302-S306 PolarHBondContact O-OG 2.6Å; Y304-S306 VanDerWaalsContact C-N 3.29Å; Y304-S306 PolarHBondContact O-N 3.16Å; S306-P310 WeakPolarHBondContact O-CA 3.44Å; S306-P310 WeakPolarHBondContact O-CB 3.47Å
307	I	96.7	Very high	96.4	Very high	132 Å²	132	40.3 Å²	40.3	68%	0.677	21%	0.205	S	C	*	.	H	α-helix	trans	-77.4	-41.7	170.6	-65.7	165.1	0	0	0	109.9	D303 Y304 W305	D303-I307 WeakPolarHBondContact O-CG1 3.19Å; Y304-I307 WeakPolarHBondContact O-CB 3.47Å; Y304-I307 PolarHBondContact O-N 2.72Å; Y304-I307 VanDerWaalsContact O-N 3.08Å; W305-I307 VanDerWaalsContact C-N 3.25Å; W305-I307 PolarHBondContact O-N 3.36Å
308	I	96	Very high	96.6	Very high	72 Å²	72	39.3 Å²	39.3	37%	0.369	20%	0.201	S	C	.	.	H	α-helix	trans	-73.5	-43.4	-178.4	-53.3	-57.8	0	0	0	111.5	Y304 W305 P310	Y304-I308 HydrophobicContact CE1-CG1 4.05Å; Y304-I308 HydrophobicContact CE2-CD1 4.5Å; Y304-I308 HydrophobicContact CE2-CG1 4.5Å; Y304-I308 PolarHBondContact O-N 2.73Å; W305-I308 HydrophobicContact CE3-CB 4.11Å; W305-I308 HydrophobicContact CE3-CG1 4.17Å; W305-I308 HydrophobicContact CE3-CG2 4.38Å; W305-I308 HydrophobicContact CZ3-CG1 4.42Å; W305-I308 HydrophobicContact CZ3-CG2 4.36Å; W305-I308 PolarHBondContact O-N 3.28Å; I308-P310 WeakPolarHBondContact O-CD 3.3Å
309	Y	96.7	Very high	96.8	Very high	14 Å²	14	40 Å²	40	6%	0.055	21%	0.207	C	C	.	.	S	Bend	trans	-125.5	68.9	-178.1	-51.2	-72.4	0	0	0	111.8	D54 L57 N58 W305 N311 S312 F315	D54-Y309 PolarHBondContact OD1-OH 2.85Å; L57-Y309 HydrophobicContact CB-CD1 3.77Å; L57-Y309 HydrophobicContact CB-CD2 4.28Å; L57-Y309 HydrophobicContact CB-CE1 3.76Å; L57-Y309 HydrophobicContact CB-CE2 4.26Å; L57-Y309 HydrophobicContact CB-CG 4.04Å; L57-Y309 HydrophobicContact CD1-CD2 4.19Å; L57-Y309 HydrophobicContact CD1-CE1 4.2Å; L57-Y309 HydrophobicContact CD1-CE2 3.55Å; N58-Y309 WeakPolarHBondContact ND2-CD1 3.06Å; W305-Y309 AromaticContact CE3-CD2 3.87Å; W305-Y309 HydrophobicContact CE3-CD2 3.87Å; W305-Y309 AromaticContact CE3-CE2 3.54Å; W305-Y309 HydrophobicContact CE3-CE2 3.54Å; W305-Y309 HydrophobicContact CZ3-CD2 4.48Å; W305-Y309 AromaticContact CZ3-CE2 3.7Å; W305-Y309 HydrophobicContact CZ3-CE2 3.7Å; W305-Y309 PolarHBondContact O-N 3Å; Y309-N311 PolarHBondContact O-N 3.21Å; Y309-S312 WeakPolarHBondContact O-CB 3.34Å; Y309-S312 PolarHBondContact O-N 3.4Å; Y309-S312 VanDerWaalsContact O-N 3.08Å; Y309-F315 HydrophobicContact CD2-CD2 4.05Å; Y309-F315 AromaticContact CD2-CE2 3.53Å; Y309-F315 HydrophobicContact CD2-CE2 3.53Å; Y309-F315 HydrophobicContact CD2-CZ 4.46Å; Y309-F315 HydrophobicContact CE2-CE2 4.18Å; Y309-F315 HydrophobicContact CG-CD2 4.47Å; Y309-F315 HydrophobicContact CG-CE2 4.31Å
310	P	96.7	Very high	96.9	Very high	62 Å²	62	37.3 Å²	37.3	40%	0.403	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-22.3	-168	23.5	-34.9	0	0	0	115.4	S306 I308 R338	S306-P310 WeakPolarHBondContact O-CA 3.44Å; S306-P310 WeakPolarHBondContact O-CB 3.47Å; I308-P310 WeakPolarHBondContact O-CD 3.3Å; P310-R338 PolarHBondContact O-NH2 2.95Å
311	N	95.9	Very high	96.9	Very high	86 Å²	86	32.7 Å²	32.7	46%	0.46	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	11.5	179.8	-65.6	-39.6	0	0	0	113.3	N59 Y309 A313 R338 S342	N59-N311 PolarHBondContact ND2-O 3.34Å; Y309-N311 PolarHBondContact O-N 3.21Å; N311-A313 PolarHBondContact O-N 3.44Å; N311-R338 PolarHBondContact OD1-NH2 3.04Å; N311-S342 VanDerWaalsContact O-CB 3.27Å; N311-S342 WeakPolarHBondContact O-CB 3.2Å; N311-S342 PolarHBondContact O-OG 3Å
312	S	97.2	Very high	96.8	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.007	17%	0.169	C	C	.	.			trans	-56.6	122.7	177.8	-175	0	0	0	0	111	L57 Y309 I314 F315 L316	L57-S312 VanDerWaalsContact O-CA 3.3Å; L57-S312 WeakPolarHBondContact O-CA 3.46Å; L57-S312 WeakPolarHBondContact O-CB 3.23Å; L57-S312 PolarHBondContact O-OG 3.29Å; Y309-S312 WeakPolarHBondContact O-CB 3.34Å; Y309-S312 PolarHBondContact O-N 3.4Å; Y309-S312 VanDerWaalsContact O-N 3.08Å; S312-I314 PolarHBondContact O-N 3.34Å; S312-F315 PolarHBondContact O-N 3.05Å; S312-L316 VanDerWaalsContact O-CB 3.32Å; S312-L316 WeakPolarHBondContact O-CB 3.34Å; S312-L316 VanDerWaalsContact O-CG 3.25Å; S312-L316 WeakPolarHBondContact O-CG 3.41Å; S312-L316 PolarHBondContact O-N 3.19Å
313	A	96.5	Very high	96.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-57.6	-37.2	176.7	0	0	0	0	0	111	N59 N311 L317 S339 Q343 Y349	N59-A313 WeakPolarHBondContact OD1-CB 3.3Å; N59-A313 PolarHBondContact OD1-N 2.76Å; N311-A313 PolarHBondContact O-N 3.44Å; A313-L317 VanDerWaalsContact O-CB 3.26Å; A313-L317 WeakPolarHBondContact O-CB 3.47Å; A313-L317 PolarHBondContact O-N 3.18Å; A313-S339 WeakPolarHBondContact CA-OG 3.2Å; A313-S339 PolarHBondContact O-OG 3.13Å; A313-Q343 HydrophobicContact CB-CG 4.04Å; A313-Y349 HydrophobicContact CB-CD1 4.42Å; A313-Y349 HydrophobicContact CB-CG 4.18Å
314	I	95.5	Very high	96.5	Very high	24 Å²	24	27.1 Å²	27.1	12%	0.123	15%	0.145	C	C	.	.	H	α-helix	trans	-67.1	-53.4	179.4	-62.8	161.3	0	0	0	111.3	F56 L57 L267 S312 L316 L317 L318 Y349	F56-I314 HydrophobicContact CD1-CD1 4.38Å; F56-I314 HydrophobicContact CE1-CD1 3.75Å; L57-I314 HydrophobicContact CD2-CD1 4.02Å; L267-I314 HydrophobicContact CD1-CG2 4.48Å; L267-I314 HydrophobicContact CD2-CG2 3.42Å; L267-I314 VanDerWaalsContact CD2-CG2 3.42Å; S312-I314 PolarHBondContact O-N 3.34Å; I314-L316 VanDerWaalsContact C-N 3.31Å; I314-L316 PolarHBondContact O-N 3.24Å; I314-L317 WeakPolarHBondContact O-CB 3.35Å; I314-L317 PolarHBondContact O-N 3.19Å; I314-L318 HydrophobicContact CG2-CD1 3.86Å; I314-L318 HydrophobicContact CG2-CG 4.48Å; I314-L318 WeakPolarHBondContact O-CG 3.47Å; I314-L318 PolarHBondContact O-N 2.97Å; I314-Y349 HydrophobicContact CD1-CE1 4.15Å; I314-Y349 WeakPolarHBondContact CD1-OH 3.49Å; I314-Y349 HydrophobicContact CG1-CD1 4.29Å; I314-Y349 HydrophobicContact CG1-CE1 3.42Å; I314-Y349 VanDerWaalsContact CG1-CE1 3.42Å
315	F	97.5	Very high	96.1	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	14%	0.14	C	C	.	.	H	α-helix	trans	-68.2	-31.8	-178.8	-69	-66.9	0	0	0	112.1	L57 L267 L270 L302 W305 Y309 S312 L318 A319	L57-F315 HydrophobicContact CD1-CE2 4.45Å; L57-F315 HydrophobicContact CD2-CE2 4.16Å; L267-F315 HydrophobicContact CD2-CD1 4.16Å; L267-F315 HydrophobicContact CD2-CE1 3.59Å; L267-F315 HydrophobicContact CD2-CZ 3.85Å; L267-F315 HydrophobicContact CG-CE1 4.26Å; L267-F315 HydrophobicContact CG-CZ 4.17Å; L270-F315 HydrophobicContact CD1-CD1 4.25Å; L270-F315 HydrophobicContact CD1-CE1 4.1Å; L302-F315 HydrophobicContact CD2-CB 4.49Å; L302-F315 HydrophobicContact CD2-CD1 4.12Å; W305-F315 HydrophobicContact CB-CD1 3.79Å; W305-F315 HydrophobicContact CB-CD2 4.24Å; W305-F315 HydrophobicContact CB-CE1 3.51Å; W305-F315 HydrophobicContact CB-CE2 4Å; W305-F315 HydrophobicContact CB-CG 4.15Å; W305-F315 HydrophobicContact CB-CZ 3.63Å; W305-F315 AromaticContact CD1-CE1 3.96Å; W305-F315 HydrophobicContact CD2-CZ 4.09Å; W305-F315 HydrophobicContact CG-CD1 4.47Å; W305-F315 AromaticContact CG-CE1 3.73Å; W305-F315 HydrophobicContact CG-CE1 3.73Å; W305-F315 HydrophobicContact CG-CE2 4.42Å; W305-F315 AromaticContact CG-CZ 3.7Å; W305-F315 HydrophobicContact CG-CZ 3.7Å; Y309-F315 HydrophobicContact CD2-CD2 4.05Å; Y309-F315 AromaticContact CD2-CE2 3.53Å; Y309-F315 HydrophobicContact CD2-CE2 3.53Å; Y309-F315 HydrophobicContact CD2-CZ 4.46Å; Y309-F315 HydrophobicContact CE2-CE2 4.18Å; Y309-F315 HydrophobicContact CG-CD2 4.47Å; Y309-F315 HydrophobicContact CG-CE2 4.31Å; S312-F315 PolarHBondContact O-N 3.05Å; F315-L318 PolarHBondContact O-N 3.43Å; F315-A319 VanDerWaalsContact O-CB 3.26Å; F315-A319 WeakPolarHBondContact O-CB 3.44Å; F315-A319 PolarHBondContact O-N 3.08Å
316	L	98.2	Very high	95.8	Very high	7 Å²	7	26.3 Å²	26.3	4%	0.037	15%	0.146	C	C	.	.	H	α-helix	trans	-66.3	-40.8	171.6	-71.9	169.3	0	0	0	112.4	S312 I314 A319 G320 L335 R338	S312-L316 VanDerWaalsContact O-CB 3.32Å; S312-L316 WeakPolarHBondContact O-CB 3.34Å; S312-L316 VanDerWaalsContact O-CG 3.25Å; S312-L316 WeakPolarHBondContact O-CG 3.41Å; S312-L316 PolarHBondContact O-N 3.19Å; I314-L316 VanDerWaalsContact C-N 3.31Å; I314-L316 PolarHBondContact O-N 3.24Å; L316-A319 PolarHBondContact O-N 3.42Å; L316-G320 PolarHBondContact O-N 2.93Å; L316-L335 HydrophobicContact CD2-CD2 4.3Å; L316-R338 HydrophobicContact CD1-CG 4.01Å; L316-R338 HydrophobicContact CD2-CG 4.26Å
317	L	97.7	Very high	95.4	Very high	11 Å²	11	24.2 Å²	24.2	6%	0.058	13%	0.132	C	C	.	.	H	α-helix	trans	-60.8	-48.1	173.5	173.3	73.5	0	0	0	110.5	A313 I314 A319 G320 R321 F336 L352 E356	A313-L317 VanDerWaalsContact O-CB 3.26Å; A313-L317 WeakPolarHBondContact O-CB 3.47Å; A313-L317 PolarHBondContact O-N 3.18Å; I314-L317 WeakPolarHBondContact O-CB 3.35Å; I314-L317 PolarHBondContact O-N 3.19Å; L317-A319 PolarHBondContact O-N 3.37Å; L317-G320 PolarHBondContact O-N 3.49Å; L317-R321 PolarHBondContact O-N 2.81Å; L317-F336 HydrophobicContact CD1-CD1 3.91Å; L317-F336 HydrophobicContact CD1-CE1 3.85Å; L317-F336 WeakPolarHBondContact O-CE1 3.48Å; L317-L352 HydrophobicContact CD1-CB 4.24Å; L317-L352 HydrophobicContact CD2-CB 3.9Å; L317-L352 HydrophobicContact CD2-CD1 3.91Å; L317-E356 HydrophobicContact CD1-CG 4.06Å
318	L	97.9	Very high	95.2	Very high	12 Å²	12	21.4 Å²	21.4	6%	0.063	12%	0.118	C	C	.	.	H	α-helix	trans	-66.5	-36.7	179.5	-66.9	169.9	0	0	0	112.1	L267 L270 L274 Y275 L302 I314 F315 R321 L322	L267-L318 HydrophobicContact CD2-CD1 3.54Å; L270-L318 HydrophobicContact CB-CD1 3.99Å; L270-L318 HydrophobicContact CB-CD2 4.39Å; L270-L318 HydrophobicContact CD1-CD1 3.83Å; L274-L318 HydrophobicContact CD1-CB 4.16Å; L274-L318 HydrophobicContact CD1-CD2 4.2Å; L274-L318 WeakPolarHBondContact CD1-O 3.49Å; Y275-L318 HydrophobicContact CE2-CD2 3.91Å; L302-L318 HydrophobicContact CD2-CB 3.85Å; I314-L318 HydrophobicContact CG2-CD1 3.86Å; I314-L318 HydrophobicContact CG2-CG 4.48Å; I314-L318 WeakPolarHBondContact O-CG 3.47Å; I314-L318 PolarHBondContact O-N 2.97Å; F315-L318 PolarHBondContact O-N 3.43Å; L318-R321 PolarHBondContact O-N 3.01Å; L318-L322 PolarHBondContact O-N 3.03Å
319	A	97.9	Very high	95.2	Very high	16 Å²	16	18.5 Å²	18.5	13%	0.132	10%	0.103	C	C	.	.	H	α-helix	trans	-63.5	-42.8	171.8	0	0	0	0	0	111.9	L302 F315 L316 L317 R321 L322 E323 L335	L302-A319 HydrophobicContact CD1-CB 4.45Å; L302-A319 HydrophobicContact CD2-CB 4.34Å; F315-A319 VanDerWaalsContact O-CB 3.26Å; F315-A319 WeakPolarHBondContact O-CB 3.44Å; F315-A319 PolarHBondContact O-N 3.08Å; L316-A319 PolarHBondContact O-N 3.42Å; L317-A319 PolarHBondContact O-N 3.37Å; A319-R321 VanDerWaalsContact C-N 3.31Å; A319-R321 PolarHBondContact O-N 3.47Å; A319-L322 PolarHBondContact O-N 2.86Å; A319-E323 WeakPolarHBondContact O-CG 3.22Å; A319-E323 PolarHBondContact O-N 3.45Å; A319-E323 VanDerWaalsContact O-N 3.13Å; A319-L335 HydrophobicContact CB-CD1 4.13Å; A319-L335 HydrophobicContact CB-CD2 4.41Å
320	G	97.6	Very high	95.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.1	-44.4	173.3	0	0	0	0	0	111.7	L316 L317 L322 E323 E324 A332	L316-G320 PolarHBondContact O-N 2.93Å; L317-G320 PolarHBondContact O-N 3.49Å; G320-L322 PolarHBondContact O-N 2.88Å; G320-E323 PolarHBondContact O-N 2.72Å; G320-E324 PolarHBondContact O-N 2.7Å; G320-A332 VanDerWaalsContact O-CB 3.3Å; G320-A332 WeakPolarHBondContact O-CB 3.32Å
321	R	96	Very high	95.2	Very high	14 Å²	14	25.3 Å²	25.3	5%	0.053	13%	0.128	C	C	.	.	H	α-helix	trans	-62.4	-42.2	177.2	-175.6	64.3	-177.9	175.9	0.9	112.7	L274 Y275 L317 L318 A319 E323 E324 I325 E356 M477	L274-R321 HydrophobicContact CB-CG 3.9Å; L274-R321 PolarHBondContact O-NE 2.88Å; Y275-R321 HydrophobicContact CE1-CG 4.14Å; Y275-R321 HydrophobicContact CE2-CG 4Å; L317-R321 PolarHBondContact O-N 2.81Å; L318-R321 PolarHBondContact O-N 3.01Å; A319-R321 VanDerWaalsContact C-N 3.31Å; A319-R321 PolarHBondContact O-N 3.47Å; R321-E323 VanDerWaalsContact C-N 3.32Å; R321-E323 PolarHBondContact O-N 2.85Å; R321-E324 WeakPolarHBondContact CD-OE2 3.25Å; R321-E324 IonicContact CZ-OE2 3.99Å; R321-E324 IonicContact NE-OE2 2.72Å; R321-E324 IonicContact NH1-OE1 3.57Å; R321-E324 IonicContact NH1-OE2 2.71Å; R321-E324 PolarHBondContact NH1-OE2 3.11Å; R321-E324 WeakPolarHBondContact O-CB 3.32Å; R321-E324 PolarHBondContact O-N 2.91Å; R321-I325 WeakPolarHBondContact O-CG1 3.34Å; R321-I325 PolarHBondContact O-N 2.95Å; R321-E356 IonicContact CZ-OE2 3.85Å; R321-E356 IonicContact NE-OE2 3Å; R321-E356 IonicContact NH1-OE2 2.55Å; R321-E356 PolarHBondContact NH1-OE2 3.07Å; R321-M477 VanDerWaalsContact CZ-CE 3.43Å; R321-M477 VanDerWaalsContact NH1-CE 3.3Å
322	L	95	Very high	95.3	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.016	11%	0.106	C	C	.	.	H	α-helix	trans	-57.9	-44.4	174.1	173.9	65.1	0	0	0	111.4	L274 M295 A298 R299 L302 L318 A319 G320 I325 S326	L274-L322 HydrophobicContact CD1-CB 4.34Å; L274-L322 HydrophobicContact CD2-CB 4.03Å; L274-L322 HydrophobicContact CD2-CD1 3.86Å; M295-L322 HydrophobicContact CE-CD1 4.37Å; A298-L322 HydrophobicContact CB-CD1 4.38Å; R299-L322 HydrophobicContact CB-CD2 3.81Å; R299-L322 HydrophobicContact CG-CD2 4.11Å; L302-L322 HydrophobicContact CD1-CB 3.93Å; L302-L322 HydrophobicContact CD1-CD2 3.67Å; L302-L322 HydrophobicContact CD1-CG 4.41Å; L318-L322 PolarHBondContact O-N 3.03Å; A319-L322 PolarHBondContact O-N 2.86Å; G320-L322 PolarHBondContact O-N 2.88Å; L322-I325 VanDerWaalsContact O-CG1 3.28Å; L322-I325 WeakPolarHBondContact O-CG1 3.17Å; L322-S326 WeakPolarHBondContact O-CB 3.07Å; L322-S326 PolarHBondContact O-N 3.32Å; L322-S326 VanDerWaalsContact O-N 3.12Å; L322-S326 PolarHBondContact O-OG 3.14Å
323	E	94.8	Very high	95.4	Very high	7 Å²	7	21.4 Å²	21.4	3%	0.033	11%	0.108	C	C	.	.	H	α-helix	trans	-69.4	-35.2	178	-65.2	-60.6	161.1	0	0	112.3	R299 A319 G320 R321 S326 G327 N328 K331 A332 L335	R299-E323 IonicContact CZ-OE1 3.86Å; R299-E323 IonicContact NH1-OE1 3.57Å; R299-E323 PolarHBondContact NH1-OE1 3.48Å; R299-E323 IonicContact NH2-OE1 3.96Å; R299-E323 PolarHBondContact NH2-OE1 3.29Å; A319-E323 WeakPolarHBondContact O-CG 3.22Å; A319-E323 PolarHBondContact O-N 3.45Å; A319-E323 VanDerWaalsContact O-N 3.13Å; G320-E323 PolarHBondContact O-N 2.72Å; R321-E323 VanDerWaalsContact C-N 3.32Å; R321-E323 PolarHBondContact O-N 2.85Å; E323-S326 PolarHBondContact O-N 2.94Å; E323-G327 PolarHBondContact O-N 3.37Å; E323-N328 HydrophobicContact CB-CB 4.22Å; E323-N328 WeakPolarHBondContact O-CA 3.46Å; E323-N328 PolarHBondContact O-N 3.02Å; E323-N328 WeakPolarHBondContact OE2-CB 3.32Å; E323-N328 PolarHBondContact OE2-ND2 3.5Å; E323-K331 HydrophobicContact CB-CB 4.4Å; E323-K331 HydrophobicContact CB-CG 4.5Å; E323-K331 VanDerWaalsContact CD-NZ 3.34Å; E323-K331 HydrophobicContact CG-CB 4.41Å; E323-K331 HydrophobicContact CG-CD 3.83Å; E323-K331 HydrophobicContact CG-CG 4Å; E323-K331 WeakPolarHBondContact OE1-CE 3.46Å; E323-K331 IonicContact OE1-NZ 3.6Å; E323-K331 PolarHBondContact OE1-NZ 2.95Å; E323-K331 IonicContact OE2-NZ 3.79Å; E323-A332 HydrophobicContact CB-CB 4.12Å; E323-L335 HydrophobicContact CB-CD1 4.43Å; E323-L335 HydrophobicContact CG-CD1 3.75Å
324	E	93.3	Very high	95.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.3	-50.9	175.1	-175.2	-175.2	-163.4	0	0	111.7	G320 R321 S326 G327 L329 A332 W359 M477	G320-E324 PolarHBondContact O-N 2.7Å; R321-E324 WeakPolarHBondContact CD-OE2 3.25Å; R321-E324 IonicContact CZ-OE2 3.99Å; R321-E324 IonicContact NE-OE2 2.72Å; R321-E324 IonicContact NH1-OE1 3.57Å; R321-E324 IonicContact NH1-OE2 2.71Å; R321-E324 PolarHBondContact NH1-OE2 3.11Å; R321-E324 WeakPolarHBondContact O-CB 3.32Å; R321-E324 PolarHBondContact O-N 2.91Å; E324-S326 PolarHBondContact O-N 3.32Å; E324-G327 PolarHBondContact O-N 3.09Å; E324-L329 HydrophobicContact CG-CD2 4.03Å; E324-A332 HydrophobicContact CB-CB 3.89Å; E324-W359 WeakPolarHBondContact OE1-CB 3.47Å; E324-M477 HydrophobicContact CG-SD 4.47Å
325	I	89.9	Confident	95.6	Very high	27 Å²	27	26.7 Å²	26.7	14%	0.138	14%	0.135	C	C	.	.	H	α-helix	trans	-67.9	-21.5	178.3	66.9	169	0	0	0	112.7	L274 M295 R321 L322 M477	L274-I325 HydrophobicContact CD2-CD1 3.53Å; L274-I325 HydrophobicContact CD2-CG1 4.49Å; M295-I325 HydrophobicContact CE-CD1 4.13Å; M295-I325 HydrophobicContact CE-CG1 3.96Å; M295-I325 HydrophobicContact CG-CD1 4.26Å; M295-I325 HydrophobicContact SD-CD1 4.39Å; R321-I325 WeakPolarHBondContact O-CG1 3.34Å; R321-I325 PolarHBondContact O-N 2.95Å; L322-I325 VanDerWaalsContact O-CG1 3.28Å; L322-I325 WeakPolarHBondContact O-CG1 3.17Å; I325-M477 HydrophobicContact CG2-CE 3.77Å
326	S	88.4	Confident	95.7	Very high	20 Å²	20	26.7 Å²	26.7	14%	0.14	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-8.2	171.7	-56.2	0	0	0	0	113	M295 L322 E323 E324 S480	M295-S326 WeakPolarHBondContact CE-OG 3.48Å; L322-S326 WeakPolarHBondContact O-CB 3.07Å; L322-S326 PolarHBondContact O-N 3.32Å; L322-S326 VanDerWaalsContact O-N 3.12Å; L322-S326 PolarHBondContact O-OG 3.14Å; E323-S326 PolarHBondContact O-N 2.94Å; E324-S326 PolarHBondContact O-N 3.32Å; S326-S480 PolarHBondContact O-OG 2.93Å
327	G	89	Confident	95.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	8.3	-176.2	0	0	0	0	0	114.9	E323 E324 L329 M477 Q481	E323-G327 PolarHBondContact O-N 3.37Å; E324-G327 PolarHBondContact O-N 3.09Å; G327-L329 VanDerWaalsContact C-N 3.28Å; G327-L329 PolarHBondContact O-N 3.36Å; G327-L329 VanDerWaalsContact O-N 3.13Å; G327-M477 WeakPolarHBondContact CA-O 3.4Å; G327-Q481 PolarHBondContact O-NE2 3.22Å
328	N	92.3	Very high	95.7	Very high	72 Å²	72	34.6 Å²	34.6	39%	0.385	17%	0.167	S	C	.	.			trans	-88.3	59.2	178.3	-65.9	-34	0	0	0	111.3	E323 Q330 K331 A332	E323-N328 HydrophobicContact CB-CB 4.22Å; E323-N328 WeakPolarHBondContact O-CA 3.46Å; E323-N328 PolarHBondContact O-N 3.02Å; E323-N328 WeakPolarHBondContact OE2-CB 3.32Å; E323-N328 PolarHBondContact OE2-ND2 3.5Å; N328-Q330 VanDerWaalsContact C-N 3.29Å; N328-Q330 PolarHBondContact O-N 3.4Å; N328-Q330 VanDerWaalsContact O-N 3.15Å; N328-K331 HydrophobicContact CB-CB 4.23Å; N328-K331 PolarHBondContact O-N 3.31Å; N328-A332 PolarHBondContact O-N 3.19Å
329	L	94.7	Very high	95.7	Very high	12 Å²	12	34 Å²	34	6%	0.063	16%	0.164	C	C	.	.	H	α-helix	trans	-57.6	-35.9	-168.5	-55.5	-176.7	0	0	0	114.1	E324 G327 A332 I333 L363 Q364 I478	E324-L329 HydrophobicContact CG-CD2 4.03Å; G327-L329 VanDerWaalsContact C-N 3.28Å; G327-L329 PolarHBondContact O-N 3.36Å; G327-L329 VanDerWaalsContact O-N 3.13Å; L329-A332 WeakPolarHBondContact O-CB 3.46Å; L329-A332 PolarHBondContact O-N 3.31Å; L329-I333 WeakPolarHBondContact O-CD1 3.46Å; L329-I333 VanDerWaalsContact O-CG1 3.27Å; L329-I333 WeakPolarHBondContact O-CG1 3.23Å; L329-I333 PolarHBondContact O-N 3.36Å; L329-L363 HydrophobicContact CD1-CB 3.77Å; L329-L363 HydrophobicContact CD2-CD1 4.25Å; L329-Q364 HydrophobicContact CD1-CG 3.72Å; L329-I478 HydrophobicContact CD1-CG2 3.88Å
330	Q	96.5	Very high	95.6	Very high	115 Å²	115	34.2 Å²	34.2	54%	0.537	16%	0.162	S	C	.	.	H	α-helix	trans	-65.6	-40.5	177.1	-64.6	-55.9	-31.7	0	0	112.3	N328 I333 I334	N328-Q330 VanDerWaalsContact C-N 3.29Å; N328-Q330 PolarHBondContact O-N 3.4Å; N328-Q330 VanDerWaalsContact O-N 3.15Å; Q330-I333 PolarHBondContact O-N 2.82Å; Q330-I334 WeakPolarHBondContact O-CG1 3.31Å; Q330-I334 PolarHBondContact O-N 3.44Å
331	K	97.4	Very high	95.6	Very high	103 Å²	103	40.6 Å²	40.6	45%	0.448	20%	0.196	S	C	.	.	H	α-helix	trans	-69.4	-38.5	177.1	-169.6	177.2	170.7	-162.3	0	110.8	E323 N328 I334 L335	E323-K331 HydrophobicContact CB-CB 4.4Å; E323-K331 HydrophobicContact CB-CG 4.5Å; E323-K331 VanDerWaalsContact CD-NZ 3.34Å; E323-K331 HydrophobicContact CG-CB 4.41Å; E323-K331 HydrophobicContact CG-CD 3.83Å; E323-K331 HydrophobicContact CG-CG 4Å; E323-K331 WeakPolarHBondContact OE1-CE 3.46Å; E323-K331 IonicContact OE1-NZ 3.6Å; E323-K331 PolarHBondContact OE1-NZ 2.95Å; E323-K331 IonicContact OE2-NZ 3.79Å; N328-K331 HydrophobicContact CB-CB 4.23Å; N328-K331 PolarHBondContact O-N 3.31Å; K331-I334 PolarHBondContact O-N 2.69Å; K331-L335 HydrophobicContact CG-CD1 4.28Å; K331-L335 WeakPolarHBondContact O-CG 3.26Å; K331-L335 PolarHBondContact O-N 2.93Å
332	A	98	Very high	95.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-57.4	-49	172.9	0	0	0	0	0	111.5	G320 E323 E324 N328 L329 I334 L335 F336	G320-A332 VanDerWaalsContact O-CB 3.3Å; G320-A332 WeakPolarHBondContact O-CB 3.32Å; E323-A332 HydrophobicContact CB-CB 4.12Å; E324-A332 HydrophobicContact CB-CB 3.89Å; N328-A332 PolarHBondContact O-N 3.19Å; L329-A332 WeakPolarHBondContact O-CB 3.46Å; L329-A332 PolarHBondContact O-N 3.31Å; A332-I334 VanDerWaalsContact C-N 3.34Å; A332-I334 PolarHBondContact O-N 2.74Å; A332-L335 PolarHBondContact O-N 3.32Å; A332-L335 VanDerWaalsContact O-N 3.13Å; A332-F336 HydrophobicContact CB-CD2 4.36Å; A332-F336 HydrophobicContact CB-CE2 3.85Å; A332-F336 WeakPolarHBondContact O-CD2 3.46Å; A332-F336 WeakPolarHBondContact O-CG 3.45Å; A332-F336 PolarHBondContact O-N 3.04Å
333	I	98.7	Very high	95.6	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-55.3	-46.6	176.5	-71.8	161.8	0	0	0	111.8	L329 Q330 L335 F336 Q337 L357 C360 Y361	L329-I333 WeakPolarHBondContact O-CD1 3.46Å; L329-I333 VanDerWaalsContact O-CG1 3.27Å; L329-I333 WeakPolarHBondContact O-CG1 3.23Å; L329-I333 PolarHBondContact O-N 3.36Å; Q330-I333 PolarHBondContact O-N 2.82Å; I333-L335 VanDerWaalsContact C-N 3.33Å; I333-L335 PolarHBondContact O-N 3.19Å; I333-F336 PolarHBondContact O-N 3.31Å; I333-Q337 HydrophobicContact CG2-CG 4.49Å; I333-Q337 WeakPolarHBondContact O-CB 3.3Å; I333-Q337 VanDerWaalsContact O-CG 3.31Å; I333-Q337 WeakPolarHBondContact O-CG 3.43Å; I333-Q337 PolarHBondContact O-N 2.84Å; I333-L357 HydrophobicContact CB-CD2 4.11Å; I333-L357 HydrophobicContact CG1-CD2 3.89Å; I333-L357 HydrophobicContact CG2-CD2 3.98Å; I333-C360 HydrophobicContact CD1-CB 4.12Å; I333-C360 HydrophobicContact CG1-CB 3.76Å; I333-Y361 HydrophobicContact CD1-CD1 4.08Å; I333-Y361 HydrophobicContact CD1-CE1 3.5Å; I333-Y361 HydrophobicContact CG1-CE1 4.35Å; I333-Y361 WeakPolarHBondContact CG2-OH 3.11Å
334	I	98.6	Very high	95.4	Very high	109 Å²	109	46.3 Å²	46.3	56%	0.559	24%	0.238	S	C	*	.	H	α-helix	trans	-60.7	-43.5	178.8	-67.9	165.8	0	0	0	110.9	Q330 K331 A332 Q337 R338	Q330-I334 WeakPolarHBondContact O-CG1 3.31Å; Q330-I334 PolarHBondContact O-N 3.44Å; K331-I334 PolarHBondContact O-N 2.69Å; A332-I334 VanDerWaalsContact C-N 3.34Å; A332-I334 PolarHBondContact O-N 2.74Å; I334-Q337 PolarHBondContact O-N 3.22Å; I334-R338 WeakPolarHBondContact O-CB 3.41Å; I334-R338 PolarHBondContact O-N 2.97Å
335	L	98.6	Very high	95.1	Very high	26 Å²	26	50.8 Å²	50.8	14%	0.136	26%	0.261	C	S	.	.	H	α-helix	trans	-67.8	-41.7	180	-72.8	165.7	0	0	0	112.2	L316 A319 E323 K331 A332 I333 R338 S339	L316-L335 HydrophobicContact CD2-CD2 4.3Å; A319-L335 HydrophobicContact CB-CD1 4.13Å; A319-L335 HydrophobicContact CB-CD2 4.41Å; E323-L335 HydrophobicContact CB-CD1 4.43Å; E323-L335 HydrophobicContact CG-CD1 3.75Å; K331-L335 HydrophobicContact CG-CD1 4.28Å; K331-L335 WeakPolarHBondContact O-CG 3.26Å; K331-L335 PolarHBondContact O-N 2.93Å; A332-L335 PolarHBondContact O-N 3.32Å; A332-L335 VanDerWaalsContact O-N 3.13Å; I333-L335 VanDerWaalsContact C-N 3.33Å; I333-L335 PolarHBondContact O-N 3.19Å; L335-R338 PolarHBondContact O-N 3.45Å; L335-S339 PolarHBondContact O-N 3.39Å
336	F	98.5	Very high	95.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.5	-42.6	174.3	-63.5	-45.6	0	0	0	111.9	L317 A332 I333 R338 S339 I340 C353 E356 L357	L317-F336 HydrophobicContact CD1-CD1 3.91Å; L317-F336 HydrophobicContact CD1-CE1 3.85Å; L317-F336 WeakPolarHBondContact O-CE1 3.48Å; A332-F336 HydrophobicContact CB-CD2 4.36Å; A332-F336 HydrophobicContact CB-CE2 3.85Å; A332-F336 WeakPolarHBondContact O-CD2 3.46Å; A332-F336 WeakPolarHBondContact O-CG 3.45Å; A332-F336 PolarHBondContact O-N 3.04Å; I333-F336 PolarHBondContact O-N 3.31Å; F336-R338 VanDerWaalsContact C-N 3.32Å; F336-R338 PolarHBondContact O-N 3.35Å; F336-S339 WeakPolarHBondContact O-CB 3.37Å; F336-S339 PolarHBondContact O-N 2.95Å; F336-I340 WeakPolarHBondContact O-CD1 3.45Å; F336-I340 VanDerWaalsContact O-CG1 3.31Å; F336-I340 WeakPolarHBondContact O-CG1 3.36Å; F336-I340 PolarHBondContact O-N 3.21Å; F336-C353 HydrophobicContact CB-CB 4.25Å; F336-E356 HydrophobicContact CD1-CB 4.11Å; F336-E356 HydrophobicContact CD1-CG 4.45Å; F336-E356 HydrophobicContact CD2-CB 3.95Å; F336-E356 HydrophobicContact CE1-CB 3.64Å; F336-E356 HydrophobicContact CE1-CG 3.75Å; F336-E356 HydrophobicContact CE2-CB 3.46Å; F336-E356 VanDerWaalsContact CE2-CB 3.46Å; F336-E356 HydrophobicContact CE2-CG 4.4Å; F336-E356 HydrophobicContact CG-CB 4.27Å; F336-E356 HydrophobicContact CZ-CB 3.29Å; F336-E356 HydrophobicContact CZ-CG 3.73Å; F336-L357 HydrophobicContact CB-CD1 4.2Å; F336-L357 HydrophobicContact CB-CD2 3.97Å; F336-L357 HydrophobicContact CB-CG 3.9Å; F336-L357 HydrophobicContact CD2-CD2 4.12Å; F336-L357 HydrophobicContact CD2-CG 4.25Å; F336-L357 HydrophobicContact CG-CG 4.43Å
337	Q	98.2	Very high	95.2	Very high	74 Å²	74	52 Å²	52	35%	0.346	27%	0.266	S	S	.	.	H	α-helix	trans	-62	-39.8	173.8	-73.2	175.7	0.7	0	0	112	I333 I334 I340 N341	I333-Q337 HydrophobicContact CG2-CG 4.49Å; I333-Q337 WeakPolarHBondContact O-CB 3.3Å; I333-Q337 VanDerWaalsContact O-CG 3.31Å; I333-Q337 WeakPolarHBondContact O-CG 3.43Å; I333-Q337 PolarHBondContact O-N 2.84Å; I334-Q337 PolarHBondContact O-N 3.22Å; Q337-I340 PolarHBondContact O-N 3.46Å; Q337-N341 WeakPolarHBondContact O-CB 3.49Å; Q337-N341 PolarHBondContact O-N 3.01Å; Q337-N341 PolarHBondContact O-ND2 3.02Å
338	R	98	Very high	95.2	Very high	111 Å²	111	54.1 Å²	54.1	42%	0.419	28%	0.275	S	S	.	.	H	α-helix	trans	-65.4	-38.5	175	-170.8	179.2	166.3	-157.2	-8.5	112.1	P310 N311 L316 I334 L335 F336 N341 S342	P310-R338 PolarHBondContact O-NH2 2.95Å; N311-R338 PolarHBondContact OD1-NH2 3.04Å; L316-R338 HydrophobicContact CD1-CG 4.01Å; L316-R338 HydrophobicContact CD2-CG 4.26Å; I334-R338 WeakPolarHBondContact O-CB 3.41Å; I334-R338 PolarHBondContact O-N 2.97Å; L335-R338 PolarHBondContact O-N 3.45Å; F336-R338 VanDerWaalsContact C-N 3.32Å; F336-R338 PolarHBondContact O-N 3.35Å; R338-N341 PolarHBondContact O-N 3.45Å; R338-S342 WeakPolarHBondContact O-CB 3.42Å; R338-S342 PolarHBondContact O-N 3.31Å
339	S	97.8	Very high	95.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-41.9	174.3	-179.5	0	0	0	0	112	A313 L335 F336 N341 S342 C353	A313-S339 WeakPolarHBondContact CA-OG 3.2Å; A313-S339 PolarHBondContact O-OG 3.13Å; L335-S339 PolarHBondContact O-N 3.39Å; F336-S339 WeakPolarHBondContact O-CB 3.37Å; F336-S339 PolarHBondContact O-N 2.95Å; S339-N341 PolarHBondContact O-N 3Å; S339-S342 PolarHBondContact O-N 3.17Å; S339-S342 PolarHBondContact O-OG 3.1Å; S339-C353 VanDerWaalsContact CB-SG 3.59Å; S339-C353 PolarHBondContact OG-SG 3.41Å; S339-C353 VanDerWaalsContact OG-SG 3.4Å
340	I	97.2	Very high	95.1	Very high	19 Å²	19	51.9 Å²	51.9	10%	0.097	26%	0.261	C	S	.	.	H	α-helix	trans	-60.3	-47.6	173.3	-66.3	157.5	0	0	0	110.3	F336 Q337 S342 H350 C353 Y354 L357	F336-I340 WeakPolarHBondContact O-CD1 3.45Å; F336-I340 VanDerWaalsContact O-CG1 3.31Å; F336-I340 WeakPolarHBondContact O-CG1 3.36Å; F336-I340 PolarHBondContact O-N 3.21Å; Q337-I340 PolarHBondContact O-N 3.46Å; I340-S342 VanDerWaalsContact C-N 3.27Å; I340-S342 PolarHBondContact O-N 3.1Å; I340-H350 HydrophobicContact CG1-CB 4.33Å; I340-H350 HydrophobicContact CG2-CB 4.37Å; I340-H350 PolarHBondContact O-NE2 3.38Å; I340-C353 HydrophobicContact CD1-CB 3.6Å; I340-C353 HydrophobicContact CG1-CB 3.43Å; I340-C353 VanDerWaalsContact CG1-CB 3.43Å; I340-Y354 HydrophobicContact CD1-CD1 3.83Å; I340-Y354 HydrophobicContact CD1-CE1 3.61Å; I340-Y354 HydrophobicContact CG1-CE1 4.15Å; I340-Y354 HydrophobicContact CG2-CE1 4.47Å; I340-L357 HydrophobicContact CD1-CD1 3.71Å
341	N	97.3	Very high	95	Very high	135 Å²	135	47 Å²	47	72%	0.722	24%	0.239	S	C	*	.	H	α-helix	trans	-75.9	-9.9	-175.1	-65.8	-20	0	0	0	114.1	Q337 R338 S339 Q343	Q337-N341 WeakPolarHBondContact O-CB 3.49Å; Q337-N341 PolarHBondContact O-N 3.01Å; Q337-N341 PolarHBondContact O-ND2 3.02Å; R338-N341 PolarHBondContact O-N 3.45Å; S339-N341 PolarHBondContact O-N 3Å; N341-Q343 VanDerWaalsContact C-N 3.31Å; N341-Q343 PolarHBondContact O-N 3.21Å
342	S	96.3	Very high	94.8	Very high	33 Å²	33	46 Å²	46	23%	0.231	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-12.8	-176.5	70.9	0	0	0	0	113.9	N59 N311 R338 S339 I340	N59-S342 PolarHBondContact ND2-O 3.48Å; N59-S342 PolarHBondContact ND2-OG 2.96Å; N311-S342 VanDerWaalsContact O-CB 3.27Å; N311-S342 WeakPolarHBondContact O-CB 3.2Å; N311-S342 PolarHBondContact O-OG 3Å; R338-S342 WeakPolarHBondContact O-CB 3.42Å; R338-S342 PolarHBondContact O-N 3.31Å; S339-S342 PolarHBondContact O-N 3.17Å; S339-S342 PolarHBondContact O-OG 3.1Å; I340-S342 VanDerWaalsContact C-N 3.27Å; I340-S342 PolarHBondContact O-N 3.1Å
343	Q	93.5	Very high	94.8	Very high	17 Å²	17	46 Å²	46	8%	0.079	24%	0.238	C	C	.	.			trans	-161.1	154.4	179.8	65.3	81.7	31.6	0	0	111.4	N59 F61 A313 N341 D345 W346 H350	N59-Q343 HydrophobicContact CB-CB 3.69Å; N59-Q343 HydrophobicContact CB-CG 4.25Å; F61-Q343 HydrophobicContact CE2-CB 4.12Å; F61-Q343 HydrophobicContact CE2-CG 3.86Å; F61-Q343 HydrophobicContact CZ-CG 4.4Å; A313-Q343 HydrophobicContact CB-CG 4.04Å; N341-Q343 VanDerWaalsContact C-N 3.31Å; N341-Q343 PolarHBondContact O-N 3.21Å; Q343-D345 VanDerWaalsContact OE1-N 3.12Å; Q343-W346 PolarHBondContact NE2-O 3.33Å; Q343-W346 PolarHBondContact OE1-O 3.3Å; Q343-H350 PolarHBondContact NE2-CD2 3.07Å; Q343-H350 VanDerWaalsContact NE2-CD2 3.25Å; Q343-H350 PolarHBondContact NE2-NE2 2.96Å; Q343-H350 VanDerWaalsContact NE2-NE2 3.19Å; Q343-H350 PolarHBondContact O-CE1 2.9Å; Q343-H350 PolarHBondContact O-NE2 3.32Å
344	S	91.3	Very high	94.8	Very high	94 Å²	94	46.5 Å²	46.5	66%	0.657	24%	0.239	S	C	*	.	S	Bend	trans	-123.3	-9.5	176.4	51.5	0	0	0	0	114.3
345	D	87.2	Confident	94.7	Very high	93 Å²	93	43.8 Å²	43.8	50%	0.497	22%	0.222	S	C	.	.	S	Bend	trans	-72.1	-39.6	-171.7	-58	-16	0	0	0	111.2	F61 Q343	F61-D345 HydrophobicContact CD2-CB 4.17Å; Q343-D345 VanDerWaalsContact OE1-N 3.12Å
346	W	89	Confident	94.6	Very high	8 Å²	8	42.8 Å²	42.8	3%	0.03	22%	0.217	C	C	.	.			trans	-114.9	84.5	-175.5	-77.5	31.9	0	0	0	110	F56 F61 I85 I88 Q89 Q343 H348 Y349	F56-W346 HydrophobicContact CE2-CE3 4.43Å; F56-W346 AromaticContact CE2-CH2 3.61Å; F56-W346 HydrophobicContact CE2-CH2 3.61Å; F56-W346 HydrophobicContact CE2-CZ2 4.41Å; F56-W346 AromaticContact CE2-CZ3 3.61Å; F56-W346 HydrophobicContact CE2-CZ3 3.61Å; F56-W346 HydrophobicContact CZ-CH2 4.33Å; F56-W346 AromaticContact CZ-CZ3 3.9Å; F56-W346 HydrophobicContact CZ-CZ3 3.9Å; F61-W346 HydrophobicContact CB-CD2 4.06Å; F61-W346 HydrophobicContact CB-CG 4.18Å; F61-W346 HydrophobicContact CB-CZ2 4.03Å; F61-W346 VanDerWaalsContact CB-NE1 3.34Å; F61-W346 HydrophobicContact CD1-CD2 4.15Å; F61-W346 HydrophobicContact CD1-CE3 4.31Å; F61-W346 HydrophobicContact CD2-CB 3.94Å; F61-W346 AromaticContact CD2-CD1 3.71Å; F61-W346 HydrophobicContact CD2-CD2 4.08Å; F61-W346 AromaticContact CD2-CG 3.64Å; F61-W346 HydrophobicContact CD2-CG 3.64Å; F61-W346 HydrophobicContact CE2-CB 3.93Å; F61-W346 HydrophobicContact CE2-CG 4.1Å; F61-W346 AromaticContact CG-CD1 3.89Å; F61-W346 AromaticContact CG-CD2 3.84Å; F61-W346 HydrophobicContact CG-CD2 3.84Å; F61-W346 AromaticContact CG-CE2 3.87Å; F61-W346 HydrophobicContact CG-CE3 4.45Å; F61-W346 AromaticContact CG-CG 3.88Å; F61-W346 HydrophobicContact CG-CG 3.88Å; F61-W346 HydrophobicContact CG-CZ2 4.5Å; F61-W346 AromaticContact CG-NE1 3.89Å; I85-W346 HydrophobicContact CG2-CH2 4.01Å; I85-W346 HydrophobicContact CG2-CZ2 4.14Å; I88-W346 HydrophobicContact CB-CZ3 4.45Å; I88-W346 HydrophobicContact CG2-CZ3 3.98Å; Q89-W346 HydrophobicContact CB-CH2 3.75Å; Q89-W346 HydrophobicContact CB-CZ2 4.05Å; Q89-W346 HydrophobicContact CB-CZ3 4.4Å; Q89-W346 HydrophobicContact CG-CH2 4.41Å; Q89-W346 HydrophobicContact CG-CZ2 4.29Å; Q343-W346 PolarHBondContact NE2-O 3.33Å; Q343-W346 PolarHBondContact OE1-O 3.3Å; W346-H348 PolarHBondContact O-N 3.14Å; W346-Y349 HydrophobicContact CB-CD2 3.84Å; W346-Y349 HydrophobicContact CB-CE2 4.18Å; W346-Y349 HydrophobicContact CD2-CE2 4.42Å; W346-Y349 HydrophobicContact CE3-CD2 4.4Å; W346-Y349 AromaticContact CE3-CE2 3.67Å; W346-Y349 HydrophobicContact CE3-CE2 3.67Å; W346-Y349 HydrophobicContact CZ3-CE2 4.46Å; W346-Y349 PolarHBondContact O-N 2.92Å; W346-Y349 VanDerWaalsContact O-N 3.13Å
347	I	90.9	Very high	94.6	Very high	66 Å²	66	42.8 Å²	42.8	34%	0.338	22%	0.217	S	C	.	.	H	α-helix	trans	-52.4	-23.4	178.4	-163.6	80.7	0	0	0	113.5	Y349 H350 H351	I347-Y349 VanDerWaalsContact C-N 3.3Å; I347-Y349 PolarHBondContact O-N 3.21Å; I347-H350 HydrophobicContact CD1-CB 4.44Å; I347-H350 WeakPolarHBondContact CD1-ND1 3.31Å; I347-H350 CarbonylContact O-C 3.6Å; I347-H350 VanDerWaalsContact O-CA 3.28Å; I347-H350 WeakPolarHBondContact O-CA 3.32Å; I347-H350 WeakPolarHBondContact O-CB 2.96Å; I347-H350 PolarHBondContact O-N 2.68Å; I347-H351 WeakPolarHBondContact CG1-NE2 3.24Å; I347-H351 PolarHBondContact O-CD2 3.29Å; I347-H351 PolarHBondContact O-N 3.48Å
348	H	89	Confident	94.6	Very high	44 Å²	44	39.3 Å²	39.3	20%	0.204	20%	0.2	C	C	.	.	H	α-helix	trans	-62.4	-32.8	-179.9	-51.4	75.6	0	0	0	113.4	A92 T93 W346 H350 H351 L352	A92-H348 HydrophobicContact CB-CB 3.76Å; A92-H348 PolarHBondContact O-CD2 3.25Å; T93-H348 WeakPolarHBondContact CA-NE2 3.39Å; T93-H348 WeakPolarHBondContact CG2-CE1 3.32Å; T93-H348 WeakPolarHBondContact CG2-NE2 3.27Å; W346-H348 PolarHBondContact O-N 3.14Å; H348-H350 VanDerWaalsContact C-N 3.26Å; H348-H350 PolarHBondContact O-N 2.78Å; H348-H351 WeakPolarHBondContact O-CB 3.33Å; H348-H351 PolarHBondContact O-N 2.77Å; H348-L352 PolarHBondContact O-N 3.5Å
349	Y	89.6	Confident	94.6	Very high	18 Å²	18	34.6 Å²	34.6	7%	0.071	18%	0.183	C	C	.	.	H	α-helix	trans	-67.3	-31.4	170.4	-72.6	-67.6	0	0	0	111.5	F56 F61 A313 I314 W346 I347 H351 L352 C353	F56-Y349 VanDerWaalsContact CZ-OH 3.23Å; F56-Y349 WeakPolarHBondContact CZ-OH 3.38Å; F61-Y349 HydrophobicContact CE1-CD2 4.48Å; F61-Y349 AromaticContact CE1-CE2 3.66Å; F61-Y349 HydrophobicContact CE1-CE2 3.66Å; F61-Y349 HydrophobicContact CE2-CD2 4.24Å; F61-Y349 HydrophobicContact CE2-CE2 4.16Å; F61-Y349 AromaticContact CZ-CD2 3.78Å; F61-Y349 HydrophobicContact CZ-CD2 3.78Å; F61-Y349 AromaticContact CZ-CE2 3.4Å; F61-Y349 HydrophobicContact CZ-CE2 3.4Å; A313-Y349 HydrophobicContact CB-CD1 4.42Å; A313-Y349 HydrophobicContact CB-CG 4.18Å; I314-Y349 HydrophobicContact CD1-CE1 4.15Å; I314-Y349 WeakPolarHBondContact CD1-OH 3.49Å; I314-Y349 HydrophobicContact CG1-CD1 4.29Å; I314-Y349 HydrophobicContact CG1-CE1 3.42Å; I314-Y349 VanDerWaalsContact CG1-CE1 3.42Å; W346-Y349 HydrophobicContact CB-CD2 3.84Å; W346-Y349 HydrophobicContact CB-CE2 4.18Å; W346-Y349 HydrophobicContact CD2-CE2 4.42Å; W346-Y349 HydrophobicContact CE3-CD2 4.4Å; W346-Y349 AromaticContact CE3-CE2 3.67Å; W346-Y349 HydrophobicContact CE3-CE2 3.67Å; W346-Y349 HydrophobicContact CZ3-CE2 4.46Å; W346-Y349 PolarHBondContact O-N 2.92Å; W346-Y349 VanDerWaalsContact O-N 3.13Å; I347-Y349 VanDerWaalsContact C-N 3.3Å; I347-Y349 PolarHBondContact O-N 3.21Å; Y349-H351 VanDerWaalsContact C-N 3.35Å; Y349-L352 HydrophobicContact CD1-CD1 4.23Å; Y349-L352 PolarHBondContact O-N 3.16Å; Y349-C353 PolarHBondContact O-N 3.33Å; Y349-C353 PolarHBondContact O-SG 2.98Å
350	H	94.7	Very high	94.6	Very high	18 Å²	18	34.6 Å²	34.6	8%	0.083	18%	0.183	C	C	.	.	H	α-helix	trans	-66.8	-40.6	171.6	-52.8	180	0	0	0	110.3	I340 Q343 I347 H348 L352 C353 Y354	I340-H350 HydrophobicContact CG1-CB 4.33Å; I340-H350 HydrophobicContact CG2-CB 4.37Å; I340-H350 PolarHBondContact O-NE2 3.38Å; Q343-H350 PolarHBondContact NE2-CD2 3.07Å; Q343-H350 VanDerWaalsContact NE2-CD2 3.25Å; Q343-H350 PolarHBondContact NE2-NE2 2.96Å; Q343-H350 VanDerWaalsContact NE2-NE2 3.19Å; Q343-H350 PolarHBondContact O-CE1 2.9Å; Q343-H350 PolarHBondContact O-NE2 3.32Å; I347-H350 HydrophobicContact CD1-CB 4.44Å; I347-H350 WeakPolarHBondContact CD1-ND1 3.31Å; I347-H350 CarbonylContact O-C 3.6Å; I347-H350 VanDerWaalsContact O-CA 3.28Å; I347-H350 WeakPolarHBondContact O-CA 3.32Å; I347-H350 WeakPolarHBondContact O-CB 2.96Å; I347-H350 PolarHBondContact O-N 2.68Å; H348-H350 VanDerWaalsContact C-N 3.26Å; H348-H350 PolarHBondContact O-N 2.78Å; H350-L352 VanDerWaalsContact C-N 3.34Å; H350-L352 PolarHBondContact O-N 3.45Å; H350-C353 CarbonylContact O-C 3.49Å; H350-C353 WeakPolarHBondContact O-CB 3.47Å; H350-C353 PolarHBondContact O-N 2.87Å; H350-C353 VanDerWaalsContact O-N 3.12Å; H350-Y354 HydrophobicContact CB-CE1 4.08Å; H350-Y354 HydrophobicContact CB-CE2 4.12Å; H350-Y354 WeakPolarHBondContact O-CB 3.3Å; H350-Y354 WeakPolarHBondContact O-CD1 3.49Å; H350-Y354 PolarHBondContact O-N 2.97Å
351	H	94.9	Very high	94.6	Very high	14 Å²	14	34.4 Å²	34.4	7%	0.065	18%	0.181	C	C	.	.	H	α-helix	trans	-60.8	-42.3	176.4	-60.3	171.4	0	0	0	112	I347 H348 Y349 C353 Y354 W355 L377 E380	I347-H351 WeakPolarHBondContact CG1-NE2 3.24Å; I347-H351 PolarHBondContact O-CD2 3.29Å; I347-H351 PolarHBondContact O-N 3.48Å; H348-H351 WeakPolarHBondContact O-CB 3.33Å; H348-H351 PolarHBondContact O-N 2.77Å; Y349-H351 VanDerWaalsContact C-N 3.35Å; H351-C353 VanDerWaalsContact C-N 3.34Å; H351-C353 PolarHBondContact O-N 3.29Å; H351-Y354 PolarHBondContact O-N 2.84Å; H351-W355 PolarHBondContact O-N 3.27Å; H351-L377 HydrophobicContact CB-CD2 3.68Å; H351-L377 WeakPolarHBondContact O-CD2 3.24Å; H351-E380 IonicContact CD2-OE2 2.73Å; H351-E380 WeakPolarHBondContact NE2-CB 3.47Å; H351-E380 IonicContact NE2-OE2 3.09Å; H351-E380 PolarHBondContact NE2-OE2 3.38Å
352	L	94.5	Very high	94.6	Very high	82 Å²	82	28 Å²	28	43%	0.429	15%	0.146	S	C	.	.	H	α-helix	trans	-59.4	-45.7	172.3	-68.3	173.4	0	0	0	111.2	L317 H348 Y349 H350 Y354 W355 E356	L317-L352 HydrophobicContact CD1-CB 4.24Å; L317-L352 HydrophobicContact CD2-CB 3.9Å; L317-L352 HydrophobicContact CD2-CD1 3.91Å; H348-L352 PolarHBondContact O-N 3.5Å; Y349-L352 HydrophobicContact CD1-CD1 4.23Å; Y349-L352 PolarHBondContact O-N 3.16Å; H350-L352 VanDerWaalsContact C-N 3.34Å; H350-L352 PolarHBondContact O-N 3.45Å; L352-Y354 PolarHBondContact O-N 3.43Å; L352-W355 WeakPolarHBondContact O-CB 3.15Å; L352-W355 PolarHBondContact O-N 3.5Å; L352-E356 PolarHBondContact O-N 3.38Å; L352-E356 VanDerWaalsContact O-N 3.14Å
353	C	97.5	Very high	94.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.5	-38	176.4	-64.6	0	0	0	0	112.8	F336 S339 I340 Y349 H350 H351 W355 E356 L357	F336-C353 HydrophobicContact CB-CB 4.25Å; S339-C353 VanDerWaalsContact CB-SG 3.59Å; S339-C353 PolarHBondContact OG-SG 3.41Å; S339-C353 VanDerWaalsContact OG-SG 3.4Å; I340-C353 HydrophobicContact CD1-CB 3.6Å; I340-C353 HydrophobicContact CG1-CB 3.43Å; I340-C353 VanDerWaalsContact CG1-CB 3.43Å; Y349-C353 PolarHBondContact O-N 3.33Å; Y349-C353 PolarHBondContact O-SG 2.98Å; H350-C353 CarbonylContact O-C 3.49Å; H350-C353 WeakPolarHBondContact O-CB 3.47Å; H350-C353 PolarHBondContact O-N 2.87Å; H350-C353 VanDerWaalsContact O-N 3.12Å; H351-C353 VanDerWaalsContact C-N 3.34Å; H351-C353 PolarHBondContact O-N 3.29Å; C353-W355 VanDerWaalsContact C-N 3.28Å; C353-W355 PolarHBondContact O-N 3.13Å; C353-E356 PolarHBondContact O-N 2.98Å; C353-L357 WeakPolarHBondContact O-CB 3.23Å; C353-L357 WeakPolarHBondContact O-CD1 3.3Å; C353-L357 WeakPolarHBondContact O-CG 3.44Å; C353-L357 PolarHBondContact O-N 2.89Å
354	Y	97.9	Very high	94.7	Very high	15 Å²	15	28.8 Å²	28.8	6%	0.059	15%	0.147	C	C	.	.	H	α-helix	trans	-62.6	-40	176.2	-63.8	-12.9	0	0	0	110.5	I340 H350 H351 L352 L357 I358 Y373 K376 L377	I340-Y354 HydrophobicContact CD1-CD1 3.83Å; I340-Y354 HydrophobicContact CD1-CE1 3.61Å; I340-Y354 HydrophobicContact CG1-CE1 4.15Å; I340-Y354 HydrophobicContact CG2-CE1 4.47Å; H350-Y354 HydrophobicContact CB-CE1 4.08Å; H350-Y354 HydrophobicContact CB-CE2 4.12Å; H350-Y354 WeakPolarHBondContact O-CB 3.3Å; H350-Y354 WeakPolarHBondContact O-CD1 3.49Å; H350-Y354 PolarHBondContact O-N 2.97Å; H351-Y354 PolarHBondContact O-N 2.84Å; L352-Y354 PolarHBondContact O-N 3.43Å; Y354-L357 HydrophobicContact CD1-CD1 4.48Å; Y354-L357 PolarHBondContact O-N 2.85Å; Y354-I358 VanDerWaalsContact O-CG1 3.26Å; Y354-I358 WeakPolarHBondContact O-CG1 3.24Å; Y354-I358 PolarHBondContact O-N 3.27Å; Y354-Y373 AromaticContact CD1-CD1 3.5Å; Y354-Y373 HydrophobicContact CD1-CD1 3.5Å; Y354-Y373 AromaticContact CD1-CE1 3.6Å; Y354-Y373 HydrophobicContact CD1-CE1 3.6Å; Y354-Y373 HydrophobicContact CE1-CD1 4.21Å; Y354-Y373 AromaticContact CE1-CE1 3.97Å; Y354-Y373 HydrophobicContact CE1-CE1 3.97Å; Y354-Y373 AromaticContact CG-CD1 3.81Å; Y354-Y373 HydrophobicContact CG-CD1 3.81Å; Y354-Y373 HydrophobicContact CG-CE1 4.37Å; Y354-K376 HydrophobicContact CD2-CB 3.79Å; Y354-K376 HydrophobicContact CD2-CD 4.11Å; Y354-K376 HydrophobicContact CE1-CD 4.2Å; Y354-K376 HydrophobicContact CE2-CB 3.89Å; Y354-K376 HydrophobicContact CE2-CD 3.7Å; Y354-K376 HydrophobicContact CE2-CG 4.41Å; Y354-L377 HydrophobicContact CD2-CD2 4.34Å
355	W	96.5	Very high	94.9	Very high	53 Å²	53	26 Å²	26	20%	0.201	13%	0.13	C	C	.	.	H	α-helix	trans	-58.7	-50	173.8	176.2	-87.4	0	0	0	112	H351 L352 C353 L357 I358 W359 L377 Y388 M391 W472	H351-W355 PolarHBondContact O-N 3.27Å; L352-W355 WeakPolarHBondContact O-CB 3.15Å; L352-W355 PolarHBondContact O-N 3.5Å; C353-W355 VanDerWaalsContact C-N 3.28Å; C353-W355 PolarHBondContact O-N 3.13Å; W355-L357 PolarHBondContact O-N 3Å; W355-I358 WeakPolarHBondContact O-CB 3.32Å; W355-I358 PolarHBondContact O-N 3.41Å; W355-W359 AromaticContact CD1-CD1 3.96Å; W355-W359 AromaticContact CD1-NE1 3.87Å; W355-W359 AromaticContact CD2-NE1 3.91Å; W355-W359 AromaticContact CE2-NE1 3.3Å; W355-W359 VanDerWaalsContact CE2-NE1 3.3Å; W355-W359 HydrophobicContact CH2-CZ2 4.46Å; W355-W359 HydrophobicContact CZ2-CZ2 4.2Å; W355-W359 AromaticContact CZ2-NE1 3.62Å; W355-W359 AromaticContact NE1-CD1 3.7Å; W355-W359 AromaticContact NE1-NE1 3.25Å; W355-L377 HydrophobicContact CB-CD1 4.21Å; W355-L377 HydrophobicContact CE3-CD1 4.18Å; W355-Y388 HydrophobicContact CE3-CE1 4.11Å; W355-Y388 HydrophobicContact CZ3-CE1 4.03Å; W355-M391 HydrophobicContact CH2-CE 3.45Å; W355-M391 VanDerWaalsContact CH2-CE 3.45Å; W355-M391 HydrophobicContact CH2-SD 4.39Å; W355-M391 HydrophobicContact CZ2-CE 4.43Å; W355-M391 HydrophobicContact CZ3-CE 3.6Å; W355-M391 HydrophobicContact CZ3-SD 3.97Å; W355-W472 AromaticContact CH2-CH2 4Å; W355-W472 HydrophobicContact CH2-CH2 4Å; W355-W472 AromaticContact CH2-CZ2 3.67Å; W355-W472 HydrophobicContact CH2-CZ2 3.67Å; W355-W472 HydrophobicContact CZ2-CD2 4.5Å; W355-W472 HydrophobicContact CZ2-CE3 4.48Å; W355-W472 AromaticContact CZ2-CH2 3.64Å; W355-W472 HydrophobicContact CZ2-CH2 3.64Å; W355-W472 AromaticContact CZ2-CZ2 3.64Å; W355-W472 HydrophobicContact CZ2-CZ2 3.64Å; W355-W472 HydrophobicContact CZ2-CZ3 4.08Å
356	E	97.3	Very high	95.3	Very high	5 Å²	5	23.4 Å²	23.4	2%	0.023	12%	0.116	C	C	.	.	H	α-helix	trans	-66.4	-37	178.2	-56.6	-55.1	142.4	0	0	112.2	Y275 L317 R321 F336 L352 C353 I358 W359 C360	Y275-E356 WeakPolarHBondContact CE1-OE1 3.37Å; Y275-E356 PolarHBondContact OH-OE1 3.37Å; L317-E356 HydrophobicContact CD1-CG 4.06Å; R321-E356 IonicContact CZ-OE2 3.85Å; R321-E356 IonicContact NE-OE2 3Å; R321-E356 IonicContact NH1-OE2 2.55Å; R321-E356 PolarHBondContact NH1-OE2 3.07Å; F336-E356 HydrophobicContact CD1-CB 4.11Å; F336-E356 HydrophobicContact CD1-CG 4.45Å; F336-E356 HydrophobicContact CD2-CB 3.95Å; F336-E356 HydrophobicContact CE1-CB 3.64Å; F336-E356 HydrophobicContact CE1-CG 3.75Å; F336-E356 HydrophobicContact CE2-CB 3.46Å; F336-E356 VanDerWaalsContact CE2-CB 3.46Å; F336-E356 HydrophobicContact CE2-CG 4.4Å; F336-E356 HydrophobicContact CG-CB 4.27Å; F336-E356 HydrophobicContact CZ-CB 3.29Å; F336-E356 HydrophobicContact CZ-CG 3.73Å; L352-E356 PolarHBondContact O-N 3.38Å; L352-E356 VanDerWaalsContact O-N 3.14Å; C353-E356 PolarHBondContact O-N 2.98Å; E356-I358 VanDerWaalsContact C-N 3.33Å; E356-I358 PolarHBondContact O-N 3.16Å; E356-W359 PolarHBondContact O-N 3.19Å; E356-W359 VanDerWaalsContact O-N 3.17Å; E356-C360 PolarHBondContact O-N 2.95Å
357	L	98.5	Very high	95.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.1	-36.8	176.7	-74.8	165.9	0	0	0	112.4	I333 F336 I340 C353 Y354 W355 W359 C360 Y361 Y373	I333-L357 HydrophobicContact CB-CD2 4.11Å; I333-L357 HydrophobicContact CG1-CD2 3.89Å; I333-L357 HydrophobicContact CG2-CD2 3.98Å; F336-L357 HydrophobicContact CB-CD1 4.2Å; F336-L357 HydrophobicContact CB-CD2 3.97Å; F336-L357 HydrophobicContact CB-CG 3.9Å; F336-L357 HydrophobicContact CD2-CD2 4.12Å; F336-L357 HydrophobicContact CD2-CG 4.25Å; F336-L357 HydrophobicContact CG-CG 4.43Å; I340-L357 HydrophobicContact CD1-CD1 3.71Å; C353-L357 WeakPolarHBondContact O-CB 3.23Å; C353-L357 WeakPolarHBondContact O-CD1 3.3Å; C353-L357 WeakPolarHBondContact O-CG 3.44Å; C353-L357 PolarHBondContact O-N 2.89Å; Y354-L357 HydrophobicContact CD1-CD1 4.48Å; Y354-L357 PolarHBondContact O-N 2.85Å; W355-L357 PolarHBondContact O-N 3Å; L357-W359 VanDerWaalsContact C-N 3.28Å; L357-W359 PolarHBondContact O-N 2.94Å; L357-C360 PolarHBondContact O-N 3.1Å; L357-Y361 HydrophobicContact CB-CD2 4.47Å; L357-Y361 HydrophobicContact CB-CE2 4.3Å; L357-Y361 HydrophobicContact CD2-CE2 4.1Å; L357-Y361 WeakPolarHBondContact O-CD2 3.27Å; L357-Y361 PolarHBondContact O-N 3.16Å; L357-Y373 HydrophobicContact CB-CD1 4.29Å; L357-Y373 HydrophobicContact CB-CD2 3.97Å; L357-Y373 HydrophobicContact CB-CE1 4.37Å; L357-Y373 HydrophobicContact CB-CE2 4.12Å; L357-Y373 HydrophobicContact CB-CG 4.08Å; L357-Y373 HydrophobicContact CD1-CD1 4.16Å; L357-Y373 HydrophobicContact CD1-CE1 3.55Å; L357-Y373 HydrophobicContact CD1-CE2 4.26Å
358	I	98.3	Very high	95.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-54.5	-48.3	173.4	-70.9	160.4	0	0	0	110.2	Y354 W355 E356 Y361 A362 Y373 T374 L377 F395	Y354-I358 VanDerWaalsContact O-CG1 3.26Å; Y354-I358 WeakPolarHBondContact O-CG1 3.24Å; Y354-I358 PolarHBondContact O-N 3.27Å; W355-I358 WeakPolarHBondContact O-CB 3.32Å; W355-I358 PolarHBondContact O-N 3.41Å; E356-I358 VanDerWaalsContact C-N 3.33Å; E356-I358 PolarHBondContact O-N 3.16Å; I358-Y361 PolarHBondContact O-N 3.46Å; I358-A362 WeakPolarHBondContact O-CB 3.41Å; I358-A362 PolarHBondContact O-N 2.83Å; I358-Y373 VanDerWaalsContact CG1-CB 3.49Å; I358-T374 HydrophobicContact CD1-CG2 3.6Å; I358-T374 HydrophobicContact CG1-CG2 3.93Å; I358-T374 HydrophobicContact CG2-CG2 4.05Å; I358-L377 HydrophobicContact CD1-CD1 3.53Å; I358-L377 HydrophobicContact CD1-CG 4.43Å; I358-F395 HydrophobicContact CG2-CE2 3.47Å; I358-F395 VanDerWaalsContact CG2-CE2 3.47Å; I358-F395 HydrophobicContact CG2-CZ 3.73Å
359	W	96.9	Very high	96.3	Very high	13 Å²	13	26.5 Å²	26.5	5%	0.049	13%	0.128	C	C	.	.	H	α-helix	trans	-70.4	-41.4	-177.9	-62.2	115.1	0	0	0	112.1	E324 W355 E356 L357 Y361 A362 L363 M391 L468 I469 W472	E324-W359 WeakPolarHBondContact OE1-CB 3.47Å; W355-W359 AromaticContact CD1-CD1 3.96Å; W355-W359 AromaticContact CD1-NE1 3.87Å; W355-W359 AromaticContact CD2-NE1 3.91Å; W355-W359 AromaticContact CE2-NE1 3.3Å; W355-W359 VanDerWaalsContact CE2-NE1 3.3Å; W355-W359 HydrophobicContact CH2-CZ2 4.46Å; W355-W359 HydrophobicContact CZ2-CZ2 4.2Å; W355-W359 AromaticContact CZ2-NE1 3.62Å; W355-W359 AromaticContact NE1-CD1 3.7Å; W355-W359 AromaticContact NE1-NE1 3.25Å; E356-W359 PolarHBondContact O-N 3.19Å; E356-W359 VanDerWaalsContact O-N 3.17Å; L357-W359 VanDerWaalsContact C-N 3.28Å; L357-W359 PolarHBondContact O-N 2.94Å; W359-Y361 VanDerWaalsContact C-N 3.28Å; W359-Y361 PolarHBondContact O-N 3.1Å; W359-A362 PolarHBondContact O-N 3.4Å; W359-L363 VanDerWaalsContact O-CB 3.27Å; W359-L363 WeakPolarHBondContact O-CB 3.07Å; W359-L363 WeakPolarHBondContact O-CG 3.39Å; W359-L363 PolarHBondContact O-N 3.07Å; W359-M391 HydrophobicContact CH2-CE 4.28Å; W359-M391 HydrophobicContact CZ2-CE 3.84Å; W359-M391 HydrophobicContact CZ2-SD 4.45Å; W359-L468 HydrophobicContact CH2-CB 4.27Å; W359-L468 HydrophobicContact CZ3-CB 4.38Å; W359-I469 HydrophobicContact CZ3-CG1 4.45Å; W359-W472 HydrophobicContact CH2-CB 4.25Å; W359-W472 AromaticContact CH2-CD1 3.12Å; W359-W472 AromaticContact CH2-CG 3.75Å; W359-W472 HydrophobicContact CH2-CG 3.75Å; W359-W472 AromaticContact CH2-NE1 3.63Å; W359-W472 HydrophobicContact CZ2-CB 4.38Å; W359-W472 AromaticContact CZ2-CD1 3.35Å; W359-W472 HydrophobicContact CZ2-CD2 4.1Å; W359-W472 AromaticContact CZ2-CG 3.7Å; W359-W472 HydrophobicContact CZ2-CG 3.7Å; W359-W472 AromaticContact CZ2-NE1 3.52Å; W359-W472 HydrophobicContact CZ3-CB 4.42Å; W359-W472 AromaticContact CZ3-CD1 3.99Å; W359-W472 HydrophobicContact CZ3-CG 4.39Å
360	C	97.5	Very high	96.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-55	-42.5	173.5	-75.2	0	0	0	0	112.8	I333 E356 L357 Q364	I333-C360 HydrophobicContact CD1-CB 4.12Å; I333-C360 HydrophobicContact CG1-CB 3.76Å; E356-C360 PolarHBondContact O-N 2.95Å; L357-C360 PolarHBondContact O-N 3.1Å; C360-Q364 WeakPolarHBondContact O-CG 3.49Å; C360-Q364 PolarHBondContact O-NE2 3.45Å
361	Y	98	Very high	96.8	Very high	14 Å²	14	25.8 Å²	25.8	6%	0.055	13%	0.125	C	C	.	.	H	α-helix	trans	-79.1	-38.7	178.3	-69.4	-56.7	0	0	0	113	I333 L357 I358 W359 L363 Q364 A365 D366 K369 Y373	I333-Y361 HydrophobicContact CD1-CD1 4.08Å; I333-Y361 HydrophobicContact CD1-CE1 3.5Å; I333-Y361 HydrophobicContact CG1-CE1 4.35Å; I333-Y361 WeakPolarHBondContact CG2-OH 3.11Å; L357-Y361 HydrophobicContact CB-CD2 4.47Å; L357-Y361 HydrophobicContact CB-CE2 4.3Å; L357-Y361 HydrophobicContact CD2-CE2 4.1Å; L357-Y361 WeakPolarHBondContact O-CD2 3.27Å; L357-Y361 PolarHBondContact O-N 3.16Å; I358-Y361 PolarHBondContact O-N 3.46Å; W359-Y361 VanDerWaalsContact C-N 3.28Å; W359-Y361 PolarHBondContact O-N 3.1Å; Y361-L363 VanDerWaalsContact C-N 3.3Å; Y361-L363 PolarHBondContact O-N 3.44Å; Y361-Q364 CarbonylContact O-C 3.54Å; Y361-Q364 WeakPolarHBondContact O-CA 3.39Å; Y361-Q364 PolarHBondContact O-N 3.39Å; Y361-A365 PolarHBondContact O-N 3.49Å; Y361-D366 HydrophobicContact CD1-CB 4.14Å; Y361-D366 PolarHBondContact O-N 2.86Å; Y361-K369 HydrophobicContact CD1-CB 3.82Å; Y361-K369 HydrophobicContact CD1-CD 3.73Å; Y361-K369 HydrophobicContact CD1-CG 4.42Å; Y361-K369 HydrophobicContact CD2-CB 3.6Å; Y361-K369 HydrophobicContact CD2-CD 4.41Å; Y361-K369 HydrophobicContact CE1-CB 4.16Å; Y361-K369 HydrophobicContact CE1-CD 3.32Å; Y361-K369 HydrophobicContact CE1-CG 4.4Å; Y361-K369 HydrophobicContact CE2-CB 3.97Å; Y361-K369 HydrophobicContact CE2-CD 4.07Å; Y361-K369 HydrophobicContact CG-CB 3.53Å; Y361-K369 HydrophobicContact CG-CD 4.27Å; Y361-K369 VanDerWaalsContact CZ-CD 3.5Å; Y361-Y373 AromaticContact CD2-CD2 3.97Å; Y361-Y373 HydrophobicContact CD2-CD2 3.97Å; Y361-Y373 HydrophobicContact CD2-CE2 4.01Å; Y361-Y373 AromaticContact CE2-CD2 3.91Å; Y361-Y373 HydrophobicContact CE2-CD2 3.91Å; Y361-Y373 AromaticContact CE2-CE2 3.46Å; Y361-Y373 HydrophobicContact CE2-CE2 3.46Å; Y361-Y373 VanDerWaalsContact CE2-CE2 3.46Å
362	A	97.4	Very high	96.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.3	-39.2	175.5	0	0	0	0	0	111.9	I358 W359 Q364 A365 W367 A370 F395 I469	I358-A362 WeakPolarHBondContact O-CB 3.41Å; I358-A362 PolarHBondContact O-N 2.83Å; W359-A362 PolarHBondContact O-N 3.4Å; A362-Q364 PolarHBondContact O-N 2.64Å; A362-A365 PolarHBondContact O-N 3.41Å; A362-W367 HydrophobicContact CB-CZ3 4.12Å; A362-A370 HydrophobicContact CB-CB 4.41Å; A362-F395 HydrophobicContact CB-CE1 3.83Å; A362-F395 HydrophobicContact CB-CZ 4.01Å; A362-I469 HydrophobicContact CB-CD1 4.39Å
363	L	95.8	Very high	97	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-18.9	174.9	-72	171.5	0	0	0	113.4	L329 W359 Y361 I469 G474 M477 I478 F488	L329-L363 HydrophobicContact CD1-CB 3.77Å; L329-L363 HydrophobicContact CD2-CD1 4.25Å; W359-L363 VanDerWaalsContact O-CB 3.27Å; W359-L363 WeakPolarHBondContact O-CB 3.07Å; W359-L363 WeakPolarHBondContact O-CG 3.39Å; W359-L363 PolarHBondContact O-N 3.07Å; Y361-L363 VanDerWaalsContact C-N 3.3Å; Y361-L363 PolarHBondContact O-N 3.44Å; L363-I469 HydrophobicContact CD2-CG2 3.78Å; L363-G474 WeakPolarHBondContact CD2-O 3.35Å; L363-M477 HydrophobicContact CD1-CB 4.11Å; L363-M477 HydrophobicContact CD1-SD 3.94Å; L363-I478 HydrophobicContact CB-CG2 3.87Å; L363-I478 HydrophobicContact CD1-CG2 4.25Å; L363-I478 HydrophobicContact CD2-CD1 4.21Å; L363-I478 HydrophobicContact CD2-CG1 4.28Å; L363-I478 HydrophobicContact CD2-CG2 4.1Å; L363-I478 HydrophobicContact CG-CG2 4.29Å; L363-F488 WeakPolarHBondContact O-CE2 3.4Å
364	Q	95.3	Very high	97	Very high	65 Å²	65	26.3 Å²	26.3	30%	0.304	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	2.3	171.8	-68.4	171.5	50	0	0	112.9	L329 C360 Y361 A362 D366	L329-Q364 HydrophobicContact CD1-CG 3.72Å; C360-Q364 WeakPolarHBondContact O-CG 3.49Å; C360-Q364 PolarHBondContact O-NE2 3.45Å; Y361-Q364 CarbonylContact O-C 3.54Å; Y361-Q364 WeakPolarHBondContact O-CA 3.39Å; Y361-Q364 PolarHBondContact O-N 3.39Å; A362-Q364 PolarHBondContact O-N 2.64Å; Q364-D366 PolarHBondContact O-N 3.48Å
365	A	95.5	Very high	96.8	Very high	37 Å²	37	28.6 Å²	28.6	31%	0.306	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	23.5	-168.5	0	0	0	0	0	114	Y361 A362 W367 F488	Y361-A365 PolarHBondContact O-N 3.49Å; A362-A365 PolarHBondContact O-N 3.41Å; A365-W367 VanDerWaalsContact C-N 3.25Å; A365-W367 HydrophobicContact CB-CH2 4.36Å; A365-W367 HydrophobicContact CB-CZ2 3.75Å; A365-W367 PolarHBondContact O-N 2.84Å; A365-F488 HydrophobicContact CB-CE1 4.47Å; A365-F488 HydrophobicContact CB-CZ 4.5Å
366	D	96.2	Very high	96.8	Very high	38 Å²	38	29 Å²	29	20%	0.203	14%	0.142	C	C	.	.			trans	-83.3	73.9	170.5	-171.8	-21	0	0	0	109	Y361 Q364 Q368 K369 A370	Y361-D366 HydrophobicContact CD1-CB 4.14Å; Y361-D366 PolarHBondContact O-N 2.86Å; Q364-D366 PolarHBondContact O-N 3.48Å; D366-Q368 PolarHBondContact O-N 3.33Å; D366-K369 PolarHBondContact O-N 3.03Å; D366-K369 WeakPolarHBondContact OD1-CG 3.43Å; D366-K369 PolarHBondContact OD1-N 3.27Å; D366-K369 VanDerWaalsContact OD2-CD 3.25Å; D366-K369 WeakPolarHBondContact OD2-CD 3.48Å; D366-K369 WeakPolarHBondContact OD2-CE 3.39Å; D366-K369 WeakPolarHBondContact OD2-CG 3.45Å; D366-K369 IonicContact OD2-NZ 2.76Å; D366-K369 PolarHBondContact OD2-NZ 2.9Å; D366-A370 PolarHBondContact O-N 3.28Å
367	W	96.5	Very high	96.7	Very high	6 Å²	6	28.9 Å²	28.9	2%	0.023	14%	0.141	C	C	.	.	H	α-helix	trans	-60.4	-32.2	-176	-51.7	126.9	0	0	0	112.5	A362 A365 A370 I371 F395 Q398 D402 A465 L466 I469 F488	A362-W367 HydrophobicContact CB-CZ3 4.12Å; A365-W367 VanDerWaalsContact C-N 3.25Å; A365-W367 HydrophobicContact CB-CH2 4.36Å; A365-W367 HydrophobicContact CB-CZ2 3.75Å; A365-W367 PolarHBondContact O-N 2.84Å; W367-A370 PolarHBondContact O-N 3.03Å; W367-I371 WeakPolarHBondContact O-CB 3.37Å; W367-I371 WeakPolarHBondContact O-CD1 3.28Å; W367-I371 WeakPolarHBondContact O-CG1 3.49Å; W367-I371 PolarHBondContact O-N 3.49Å; W367-F395 AromaticContact CE3-CD1 3.79Å; W367-F395 HydrophobicContact CE3-CD1 3.79Å; W367-F395 HydrophobicContact CE3-CE1 4.45Å; W367-F395 HydrophobicContact CE3-CG 4.47Å; W367-F395 AromaticContact CZ3-CD1 3.95Å; W367-F395 HydrophobicContact CZ3-CD1 3.95Å; W367-F395 HydrophobicContact CZ3-CE1 4.25Å; W367-Q398 HydrophobicContact CD2-CB 4.42Å; W367-Q398 HydrophobicContact CD2-CG 4.17Å; W367-Q398 HydrophobicContact CH2-CG 4.26Å; W367-Q398 HydrophobicContact CZ2-CG 3.57Å; W367-D402 PolarHBondContact NE1-OD2 2.76Å; W367-A465 HydrophobicContact CE3-CB 4.35Å; W367-A465 HydrophobicContact CH2-CB 3.96Å; W367-A465 HydrophobicContact CZ3-CB 3.8Å; W367-L466 HydrophobicContact CH2-CD1 4.14Å; W367-L466 HydrophobicContact CZ2-CD1 4.29Å; W367-I469 HydrophobicContact CH2-CD1 4.32Å; W367-F488 HydrophobicContact CH2-CE1 4.02Å; W367-F488 HydrophobicContact CZ2-CE1 4.28Å
368	Q	95.6	Very high	96.4	Very high	88 Å²	88	29.1 Å²	29.1	41%	0.411	14%	0.142	S	C	.	.	H	α-helix	trans	-67.1	-46.2	-177.7	-67.4	174.5	5.5	0	0	111.3	D366 I371 L372 T404	D366-Q368 PolarHBondContact O-N 3.33Å; Q368-I371 PolarHBondContact O-N 3.3Å; Q368-L372 PolarHBondContact O-N 3.41Å; Q368-T404 PolarHBondContact NE2-O 3.44Å
369	K	96.9	Very high	96.1	Very high	89 Å²	89	34 Å²	34	39%	0.387	17%	0.168	S	C	.	.	H	α-helix	trans	-70.9	-34.6	174.8	-67.9	-171.2	-165.3	117.5	0	112.2	Y361 D366 I371 L372 Y373	Y361-K369 HydrophobicContact CD1-CB 3.82Å; Y361-K369 HydrophobicContact CD1-CD 3.73Å; Y361-K369 HydrophobicContact CD1-CG 4.42Å; Y361-K369 HydrophobicContact CD2-CB 3.6Å; Y361-K369 HydrophobicContact CD2-CD 4.41Å; Y361-K369 HydrophobicContact CE1-CB 4.16Å; Y361-K369 HydrophobicContact CE1-CD 3.32Å; Y361-K369 HydrophobicContact CE1-CG 4.4Å; Y361-K369 HydrophobicContact CE2-CB 3.97Å; Y361-K369 HydrophobicContact CE2-CD 4.07Å; Y361-K369 HydrophobicContact CG-CB 3.53Å; Y361-K369 HydrophobicContact CG-CD 4.27Å; Y361-K369 VanDerWaalsContact CZ-CD 3.5Å; D366-K369 PolarHBondContact O-N 3.03Å; D366-K369 WeakPolarHBondContact OD1-CG 3.43Å; D366-K369 PolarHBondContact OD1-N 3.27Å; D366-K369 VanDerWaalsContact OD2-CD 3.25Å; D366-K369 WeakPolarHBondContact OD2-CD 3.48Å; D366-K369 WeakPolarHBondContact OD2-CE 3.39Å; D366-K369 WeakPolarHBondContact OD2-CG 3.45Å; D366-K369 IonicContact OD2-NZ 2.76Å; D366-K369 PolarHBondContact OD2-NZ 2.9Å; K369-I371 VanDerWaalsContact C-N 3.33Å; K369-I371 PolarHBondContact O-N 2.96Å; K369-L372 WeakPolarHBondContact O-CB 3.29Å; K369-L372 PolarHBondContact O-N 2.92Å; K369-Y373 VanDerWaalsContact O-CD2 3.29Å; K369-Y373 WeakPolarHBondContact O-CD2 3.43Å; K369-Y373 PolarHBondContact O-N 3.47Å
370	A	98	Very high	95.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.7	-44.8	172.4	0	0	0	0	0	111.4	A362 D366 W367 L372 Y373 T374 F395	A362-A370 HydrophobicContact CB-CB 4.41Å; D366-A370 PolarHBondContact O-N 3.28Å; W367-A370 PolarHBondContact O-N 3.03Å; A370-L372 PolarHBondContact O-N 3.32Å; A370-Y373 PolarHBondContact O-N 2.9Å; A370-T374 WeakPolarHBondContact O-CG2 3.26Å; A370-T374 PolarHBondContact O-N 3.35Å; A370-T374 PolarHBondContact O-OG1 3Å; A370-F395 HydrophobicContact CB-CD2 3.9Å; A370-F395 HydrophobicContact CB-CE2 4.07Å; A370-F395 HydrophobicContact CB-CG 4.2Å; A370-F395 HydrophobicContact CB-CZ 4.49Å
371	I	97.2	Very high	95.6	Very high	21 Å²	21	37.5 Å²	37.5	11%	0.108	19%	0.185	C	C	.	.	H	α-helix	trans	-59.3	-46.9	174.9	-71.9	161.1	0	0	0	110.8	W367 Q368 K369 Y373 T374 E375 K392 F395 L396	W367-I371 WeakPolarHBondContact O-CB 3.37Å; W367-I371 WeakPolarHBondContact O-CD1 3.28Å; W367-I371 WeakPolarHBondContact O-CG1 3.49Å; W367-I371 PolarHBondContact O-N 3.49Å; Q368-I371 PolarHBondContact O-N 3.3Å; K369-I371 VanDerWaalsContact C-N 3.33Å; K369-I371 PolarHBondContact O-N 2.96Å; I371-Y373 VanDerWaalsContact C-N 3.34Å; I371-Y373 PolarHBondContact O-N 3.1Å; I371-T374 WeakPolarHBondContact CA-OG1 3.42Å; I371-T374 PolarHBondContact O-N 3.39Å; I371-T374 PolarHBondContact O-OG1 3.5Å; I371-E375 WeakPolarHBondContact O-CB 3.49Å; I371-E375 PolarHBondContact O-N 2.98Å; I371-K392 HydrophobicContact CG2-CG 4.2Å; I371-F395 HydrophobicContact CD1-CB 4.19Å; I371-F395 HydrophobicContact CG1-CB 3.65Å; I371-L396 HydrophobicContact CD1-CB 4.21Å; I371-L396 HydrophobicContact CD1-CD1 4.07Å
372	L	96.1	Very high	94.9	Very high	83 Å²	83	43.4 Å²	43.4	44%	0.435	21%	0.208	S	C	.	.	H	α-helix	trans	-53	-48.3	178.2	174.2	67	0	0	0	112.3	Q368 K369 A370 E375 K376	Q368-L372 PolarHBondContact O-N 3.41Å; K369-L372 WeakPolarHBondContact O-CB 3.29Å; K369-L372 PolarHBondContact O-N 2.92Å; A370-L372 PolarHBondContact O-N 3.32Å; L372-E375 WeakPolarHBondContact O-CB 3.35Å; L372-E375 PolarHBondContact O-N 3.48Å; L372-K376 PolarHBondContact O-N 3.28Å; L372-K376 VanDerWaalsContact O-N 3.14Å
373	Y	97.8	Very high	94.2	Very high	23 Å²	23	47.5 Å²	47.5	9%	0.09	22%	0.223	C	C	.	.	H	α-helix	trans	-75.6	-31.5	-179.5	-73.5	-74.8	0	0	0	113	Y354 L357 I358 Y361 K369 A370 I371 E375 K376 L377	Y354-Y373 AromaticContact CD1-CD1 3.5Å; Y354-Y373 HydrophobicContact CD1-CD1 3.5Å; Y354-Y373 AromaticContact CD1-CE1 3.6Å; Y354-Y373 HydrophobicContact CD1-CE1 3.6Å; Y354-Y373 HydrophobicContact CE1-CD1 4.21Å; Y354-Y373 AromaticContact CE1-CE1 3.97Å; Y354-Y373 HydrophobicContact CE1-CE1 3.97Å; Y354-Y373 AromaticContact CG-CD1 3.81Å; Y354-Y373 HydrophobicContact CG-CD1 3.81Å; Y354-Y373 HydrophobicContact CG-CE1 4.37Å; L357-Y373 HydrophobicContact CB-CD1 4.29Å; L357-Y373 HydrophobicContact CB-CD2 3.97Å; L357-Y373 HydrophobicContact CB-CE1 4.37Å; L357-Y373 HydrophobicContact CB-CE2 4.12Å; L357-Y373 HydrophobicContact CB-CG 4.08Å; L357-Y373 HydrophobicContact CD1-CD1 4.16Å; L357-Y373 HydrophobicContact CD1-CE1 3.55Å; L357-Y373 HydrophobicContact CD1-CE2 4.26Å; I358-Y373 VanDerWaalsContact CG1-CB 3.49Å; Y361-Y373 AromaticContact CD2-CD2 3.97Å; Y361-Y373 HydrophobicContact CD2-CD2 3.97Å; Y361-Y373 HydrophobicContact CD2-CE2 4.01Å; Y361-Y373 AromaticContact CE2-CD2 3.91Å; Y361-Y373 HydrophobicContact CE2-CD2 3.91Å; Y361-Y373 AromaticContact CE2-CE2 3.46Å; Y361-Y373 HydrophobicContact CE2-CE2 3.46Å; Y361-Y373 VanDerWaalsContact CE2-CE2 3.46Å; K369-Y373 VanDerWaalsContact O-CD2 3.29Å; K369-Y373 WeakPolarHBondContact O-CD2 3.43Å; K369-Y373 PolarHBondContact O-N 3.47Å; A370-Y373 PolarHBondContact O-N 2.9Å; I371-Y373 VanDerWaalsContact C-N 3.34Å; I371-Y373 PolarHBondContact O-N 3.1Å; Y373-E375 VanDerWaalsContact C-N 3.26Å; Y373-E375 PolarHBondContact O-N 3.05Å; Y373-K376 HydrophobicContact CD1-CD 4.15Å; Y373-K376 HydrophobicContact CE1-CD 4.41Å; Y373-K376 PolarHBondContact O-N 3.43Å; Y373-L377 PolarHBondContact O-N 2.88Å
374	T	96.9	Very high	93.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-35.6	170.2	57.9	0	0	0	0	112.1	I358 A370 I371 L377 S378 M391 K392 F395	I358-T374 HydrophobicContact CD1-CG2 3.6Å; I358-T374 HydrophobicContact CG1-CG2 3.93Å; I358-T374 HydrophobicContact CG2-CG2 4.05Å; A370-T374 WeakPolarHBondContact O-CG2 3.26Å; A370-T374 PolarHBondContact O-N 3.35Å; A370-T374 PolarHBondContact O-OG1 3Å; I371-T374 WeakPolarHBondContact CA-OG1 3.42Å; I371-T374 PolarHBondContact O-N 3.39Å; I371-T374 PolarHBondContact O-OG1 3.5Å; T374-L377 PolarHBondContact O-N 3.24Å; T374-S378 WeakPolarHBondContact O-CB 3.4Å; T374-S378 PolarHBondContact O-N 3.4Å; T374-M391 HydrophobicContact CG2-CB 3.75Å; T374-K392 WeakPolarHBondContact OG1-CB 3.34Å; T374-F395 HydrophobicContact CG2-CD2 3.84Å; T374-F395 HydrophobicContact CG2-CE2 3.63Å
375	E	95	Very high	93.7	Very high	63 Å²	63	46.6 Å²	46.6	29%	0.294	22%	0.22	S	C	.	.	H	α-helix	trans	-66	-47.3	176.6	176.4	152.1	-129.4	0	0	111.4	I371 L372 Y373 L377 S378 L379 K392	I371-E375 WeakPolarHBondContact O-CB 3.49Å; I371-E375 PolarHBondContact O-N 2.98Å; L372-E375 WeakPolarHBondContact O-CB 3.35Å; L372-E375 PolarHBondContact O-N 3.48Å; Y373-E375 VanDerWaalsContact C-N 3.26Å; Y373-E375 PolarHBondContact O-N 3.05Å; E375-L377 VanDerWaalsContact C-N 3.33Å; E375-L377 PolarHBondContact O-N 3.08Å; E375-S378 WeakPolarHBondContact CA-OG 3.47Å; E375-S378 PolarHBondContact O-N 3.2Å; E375-S378 VanDerWaalsContact O-N 3.07Å; E375-S378 PolarHBondContact O-OG 3.36Å; E375-L379 HydrophobicContact CG-CD1 3.89Å; E375-L379 HydrophobicContact CG-CG 4.46Å; E375-L379 WeakPolarHBondContact O-CG 3.35Å; E375-L379 PolarHBondContact O-N 2.99Å; E375-K392 HydrophobicContact CB-CD 4.49Å; E375-K392 IonicContact OE1-NZ 3.19Å; E375-K392 PolarHBondContact OE1-NZ 3.03Å; E375-K392 IonicContact OE2-NZ 3.05Å; E375-K392 PolarHBondContact OE2-NZ 3.01Å
376	K	95.4	Very high	93.7	Very high	63 Å²	63	44.8 Å²	44.8	27%	0.274	21%	0.205	S	C	.	.	H	α-helix	trans	-54	-48.7	173.2	-71.4	-170.9	173.5	-166.3	0	112	Y354 L372 Y373 S378 L379 E380	Y354-K376 HydrophobicContact CD2-CB 3.79Å; Y354-K376 HydrophobicContact CD2-CD 4.11Å; Y354-K376 HydrophobicContact CE1-CD 4.2Å; Y354-K376 HydrophobicContact CE2-CB 3.89Å; Y354-K376 HydrophobicContact CE2-CD 3.7Å; Y354-K376 HydrophobicContact CE2-CG 4.41Å; L372-K376 PolarHBondContact O-N 3.28Å; L372-K376 VanDerWaalsContact O-N 3.14Å; Y373-K376 HydrophobicContact CD1-CD 4.15Å; Y373-K376 HydrophobicContact CE1-CD 4.41Å; Y373-K376 PolarHBondContact O-N 3.43Å; K376-S378 VanDerWaalsContact C-N 3.34Å; K376-S378 PolarHBondContact O-N 2.94Å; K376-L379 PolarHBondContact O-N 2.97Å; K376-E380 WeakPolarHBondContact O-CB 3.49Å; K376-E380 WeakPolarHBondContact O-CG 3.45Å; K376-E380 PolarHBondContact O-N 3.16Å
377	L	95.6	Very high	93.6	Very high	1 Å²	1	43 Å²	43	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-61.7	-40.9	176	-73.9	-178.5	0	0	0	112.6	H351 Y354 W355 I358 Y373 T374 E375 L379 S381 Y388	H351-L377 HydrophobicContact CB-CD2 3.68Å; H351-L377 WeakPolarHBondContact O-CD2 3.24Å; Y354-L377 HydrophobicContact CD2-CD2 4.34Å; W355-L377 HydrophobicContact CB-CD1 4.21Å; W355-L377 HydrophobicContact CE3-CD1 4.18Å; I358-L377 HydrophobicContact CD1-CD1 3.53Å; I358-L377 HydrophobicContact CD1-CG 4.43Å; Y373-L377 PolarHBondContact O-N 2.88Å; T374-L377 PolarHBondContact O-N 3.24Å; E375-L377 VanDerWaalsContact C-N 3.33Å; E375-L377 PolarHBondContact O-N 3.08Å; L377-L379 VanDerWaalsContact C-N 3.27Å; L377-L379 PolarHBondContact O-N 3.45Å; L377-S381 WeakPolarHBondContact O-CB 3.45Å; L377-S381 PolarHBondContact O-N 2.89Å; L377-Y388 HydrophobicContact CB-CD1 3.97Å; L377-Y388 HydrophobicContact CB-CD2 4.11Å; L377-Y388 HydrophobicContact CB-CE1 4.09Å; L377-Y388 HydrophobicContact CB-CE2 4.24Å; L377-Y388 HydrophobicContact CB-CG 4Å; L377-Y388 HydrophobicContact CD1-CD1 4.06Å; L377-Y388 HydrophobicContact CD1-CE1 3.79Å; L377-Y388 HydrophobicContact CG-CE1 4.47Å
378	S	93.5	Very high	93.5	Very high	5 Å²	5	43.6 Å²	43.6	4%	0.035	20%	0.198	C	C	.	.	H	α-helix	trans	-65.7	-29.8	178.3	76.9	0	0	0	0	113.2	T374 E375 K376 Q385	T374-S378 WeakPolarHBondContact O-CB 3.4Å; T374-S378 PolarHBondContact O-N 3.4Å; E375-S378 WeakPolarHBondContact CA-OG 3.47Å; E375-S378 PolarHBondContact O-N 3.2Å; E375-S378 VanDerWaalsContact O-N 3.07Å; E375-S378 PolarHBondContact O-OG 3.36Å; K376-S378 VanDerWaalsContact C-N 3.34Å; K376-S378 PolarHBondContact O-N 2.94Å; S378-Q385 PolarHBondContact O-NE2 3.25Å; S378-Q385 PolarHBondContact O-OE1 3.13Å
379	L	91.8	Very high	93.6	Very high	102 Å²	102	42 Å²	42	53%	0.534	19%	0.188	S	C	.	.	H	α-helix	trans	-83.1	-40.3	179.4	-70.6	170.1	0	0	0	112.1	E375 K376 L377	E375-L379 HydrophobicContact CG-CD1 3.89Å; E375-L379 HydrophobicContact CG-CG 4.46Å; E375-L379 WeakPolarHBondContact O-CG 3.35Å; E375-L379 PolarHBondContact O-N 2.99Å; K376-L379 PolarHBondContact O-N 2.97Å; L377-L379 VanDerWaalsContact C-N 3.27Å; L377-L379 PolarHBondContact O-N 3.45Å
380	E	91.6	Very high	93.6	Very high	82 Å²	82	37.9 Å²	37.9	38%	0.383	17%	0.17	S	C	.	.	H	α-helix	trans	-103.2	-31.1	-167.5	-59.9	175.7	-156.7	0	0	114.2	H351 K376	H351-E380 IonicContact CD2-OE2 2.73Å; H351-E380 WeakPolarHBondContact NE2-CB 3.47Å; H351-E380 IonicContact NE2-OE2 3.09Å; H351-E380 PolarHBondContact NE2-OE2 3.38Å; K376-E380 WeakPolarHBondContact O-CB 3.49Å; K376-E380 WeakPolarHBondContact O-CG 3.45Å; K376-E380 PolarHBondContact O-N 3.16Å
381	S	91	Very high	93.6	Very high	5 Å²	5	37.9 Å²	37.9	4%	0.035	17%	0.17	C	C	.	.			trans	-101	137.7	-169.6	-171.4	0	0	0	0	113.7	L377 Q385 Y388	L377-S381 WeakPolarHBondContact O-CB 3.45Å; L377-S381 PolarHBondContact O-N 2.89Å; S381-Q385 PolarHBondContact O-NE2 3Å; S381-Y388 PolarHBondContact OG-OH 2.89Å
382	R	84.2	Confident	93.6	Very high	138 Å²	138	37.2 Å²	37.2	52%	0.521	17%	0.167	S	C	.	.			trans	-93.8	-6.1	-178.6	-66.3	-175.7	178.8	174.7	8.4	115.3	E95 K434	E95-R382 IonicContact OE1-CZ 2.8Å; E95-R382 IonicContact OE1-NH1 2.76Å; E95-R382 PolarHBondContact OE1-NH1 3.22Å; E95-R382 IonicContact OE1-NH2 2.72Å; E95-R382 PolarHBondContact OE1-NH2 3.38Å; R382-K434 PolarHBondContact O-NZ 3.35Å
383	W	82.6	Confident	93.7	Very high	86 Å²	86	33.3 Å²	33.3	33%	0.326	15%	0.146	S	C	.	.	S	Bend	trans	-60.6	-60.5	-170.1	-89.7	89.2	0	0	0	113.8	M91 A92 I94 Y388	M91-W383 WeakPolarHBondContact O-CZ2 3.48Å; A92-W383 PolarHBondContact O-NE1 3.43Å; I94-W383 HydrophobicContact CD1-CD2 3.18Å; I94-W383 HydrophobicContact CD1-CE3 3.37Å; I94-W383 HydrophobicContact CD1-CG 3.74Å; I94-W383 HydrophobicContact CD1-CH2 3.82Å; I94-W383 HydrophobicContact CD1-CZ2 3.68Å; I94-W383 HydrophobicContact CD1-CZ3 3.66Å; I94-W383 HydrophobicContact CG1-CD2 4.16Å; I94-W383 HydrophobicContact CG1-CH2 4.37Å; I94-W383 HydrophobicContact CG1-CZ2 3.95Å; W383-Y388 WeakPolarHBondContact CB-OH 3.38Å
384	S	88.6	Confident	93.7	Very high	8 Å²	8	32.2 Å²	32.2	6%	0.056	14%	0.142	C	C	.	.			trans	-146.6	74.3	-175	-167.7	0	0	0	0	112.5	A386 S387 Y388 E444	S384-A386 VanDerWaalsContact C-N 3.29Å; S384-A386 PolarHBondContact O-N 3.02Å; S384-S387 WeakPolarHBondContact O-CA 3.38Å; S384-S387 WeakPolarHBondContact O-CB 3.17Å; S384-S387 PolarHBondContact O-N 3.13Å; S384-S387 VanDerWaalsContact OG-CB 3.23Å; S384-S387 WeakPolarHBondContact OG-CB 3.37Å; S384-S387 PolarHBondContact OG-OG 2.91Å; S384-Y388 WeakPolarHBondContact O-CD2 3.37Å; S384-Y388 PolarHBondContact O-N 3.46Å; S384-E444 WeakPolarHBondContact CA-OE1 3.43Å; S384-E444 WeakPolarHBondContact CB-OE1 3.46Å; S384-E444 VanDerWaalsContact OG-CD 3.29Å; S384-E444 WeakPolarHBondContact OG-CG 3.42Å; S384-E444 PolarHBondContact OG-OE1 3.34Å
385	Q	92	Very high	93.8	Very high	40 Å²	40	32.2 Å²	32.2	19%	0.187	14%	0.142	C	C	.	.	H	α-helix	trans	-54.4	-43.2	179.7	-76.1	-68.8	-30	0	0	112.6	S378 S381 S387 Y388 R389 M432	S378-Q385 PolarHBondContact O-NE2 3.25Å; S378-Q385 PolarHBondContact O-OE1 3.13Å; S381-Q385 PolarHBondContact O-NE2 3Å; Q385-S387 VanDerWaalsContact C-N 3.28Å; Q385-S387 PolarHBondContact O-N 2.98Å; Q385-Y388 PolarHBondContact O-N 2.8Å; Q385-R389 WeakPolarHBondContact O-CB 3.44Å; Q385-R389 VanDerWaalsContact O-CG 3.24Å; Q385-R389 WeakPolarHBondContact O-CG 3.41Å; Q385-R389 PolarHBondContact O-N 2.55Å; Q385-M432 HydrophobicContact CB-CB 4.47Å; Q385-M432 HydrophobicContact CB-SD 4.21Å
386	A	94.7	Very high	93.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.7	-38	175.5	0	0	0	0	0	112.5	S384 Y390 I429 M432 V433 E444	S384-A386 VanDerWaalsContact C-N 3.29Å; S384-A386 PolarHBondContact O-N 3.02Å; A386-Y390 WeakPolarHBondContact O-CB 3.18Å; A386-Y390 PolarHBondContact O-N 3.47Å; A386-Y390 VanDerWaalsContact O-N 3.08Å; A386-I429 HydrophobicContact CB-CG2 4.36Å; A386-M432 HydrophobicContact CB-CB 4.01Å; A386-V433 HydrophobicContact CB-CG2 4.29Å; A386-E444 HydrophobicContact CB-CB 4.39Å; A386-E444 HydrophobicContact CB-CG 4.02Å
387	S	94.3	Very high	94	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.007	12%	0.12	C	C	.	.	H	α-helix	trans	-69.9	-46.3	177.7	-58.7	0	0	0	0	111.9	S384 Q385 R389 Y390 M391 I443	S384-S387 WeakPolarHBondContact O-CA 3.38Å; S384-S387 WeakPolarHBondContact O-CB 3.17Å; S384-S387 PolarHBondContact O-N 3.13Å; S384-S387 VanDerWaalsContact OG-CB 3.23Å; S384-S387 WeakPolarHBondContact OG-CB 3.37Å; S384-S387 PolarHBondContact OG-OG 2.91Å; Q385-S387 VanDerWaalsContact C-N 3.28Å; Q385-S387 PolarHBondContact O-N 2.98Å; S387-R389 VanDerWaalsContact C-N 3.32Å; S387-R389 PolarHBondContact O-N 2.97Å; S387-Y390 PolarHBondContact O-N 3.14Å; S387-M391 VanDerWaalsContact O-CG 3.25Å; S387-M391 WeakPolarHBondContact O-CG 3.27Å; S387-M391 PolarHBondContact O-N 3.23Å; S387-I443 WeakPolarHBondContact OG-CG2 3.41Å
388	Y	95.7	Very high	94	Very high	17 Å²	17	27.2 Å²	27.2	7%	0.067	12%	0.12	C	C	.	.	H	α-helix	trans	-61.8	-41.3	179.7	-53.8	-37.7	0	0	0	111.8	W355 L377 S381 W383 S384 Q385 M391 K392	W355-Y388 HydrophobicContact CE3-CE1 4.11Å; W355-Y388 HydrophobicContact CZ3-CE1 4.03Å; L377-Y388 HydrophobicContact CB-CD1 3.97Å; L377-Y388 HydrophobicContact CB-CD2 4.11Å; L377-Y388 HydrophobicContact CB-CE1 4.09Å; L377-Y388 HydrophobicContact CB-CE2 4.24Å; L377-Y388 HydrophobicContact CB-CG 4Å; L377-Y388 HydrophobicContact CD1-CD1 4.06Å; L377-Y388 HydrophobicContact CD1-CE1 3.79Å; L377-Y388 HydrophobicContact CG-CE1 4.47Å; S381-Y388 PolarHBondContact OG-OH 2.89Å; W383-Y388 WeakPolarHBondContact CB-OH 3.38Å; S384-Y388 WeakPolarHBondContact O-CD2 3.37Å; S384-Y388 PolarHBondContact O-N 3.46Å; Q385-Y388 PolarHBondContact O-N 2.8Å; Y388-M391 PolarHBondContact O-N 2.74Å; Y388-K392 PolarHBondContact O-N 3.13Å
389	R	95.9	Very high	94.2	Very high	56 Å²	56	27.1 Å²	27.1	21%	0.211	12%	0.119	C	C	.	.	H	α-helix	trans	-65.6	-42.4	176.5	-65.5	-68.9	173.3	168.3	-2.4	112.1	Q385 S387 K392 A393 L425 I429 M432	Q385-R389 WeakPolarHBondContact O-CB 3.44Å; Q385-R389 VanDerWaalsContact O-CG 3.24Å; Q385-R389 WeakPolarHBondContact O-CG 3.41Å; Q385-R389 PolarHBondContact O-N 2.55Å; S387-R389 VanDerWaalsContact C-N 3.32Å; S387-R389 PolarHBondContact O-N 2.97Å; R389-K392 PolarHBondContact O-N 2.76Å; R389-A393 WeakPolarHBondContact O-CB 3.49Å; R389-A393 PolarHBondContact O-N 3.43Å; R389-L425 HydrophobicContact CB-CD2 4.44Å; R389-L425 HydrophobicContact CG-CD2 4.42Å; R389-I429 HydrophobicContact CB-CG1 4.37Å; R389-M432 HydrophobicContact CG-SD 4.05Å
390	Y	97.6	Very high	94.4	Very high	1 Å²	1	24.7 Å²	24.7	0%	0.004	11%	0.106	C	C	.	.	H	α-helix	trans	-64.5	-41.6	174.7	179.8	-116.3	0	0	0	112.5	A386 S387 A393 A394 L426 I429 I446 A447 K450 L461 L468	A386-Y390 WeakPolarHBondContact O-CB 3.18Å; A386-Y390 PolarHBondContact O-N 3.47Å; A386-Y390 VanDerWaalsContact O-N 3.08Å; S387-Y390 PolarHBondContact O-N 3.14Å; Y390-A393 PolarHBondContact O-N 3.5Å; Y390-A394 VanDerWaalsContact O-CB 3.28Å; Y390-A394 WeakPolarHBondContact O-CB 3.36Å; Y390-A394 PolarHBondContact O-N 3.46Å; Y390-L426 HydrophobicContact CD2-CD2 4.02Å; Y390-I429 HydrophobicContact CD2-CD1 4.47Å; Y390-I446 HydrophobicContact CE1-CG2 4.04Å; Y390-A447 HydrophobicContact CD1-CB 4.2Å; Y390-A447 HydrophobicContact CG-CB 3.83Å; Y390-K450 HydrophobicContact CD2-CB 4.25Å; Y390-K450 HydrophobicContact CE2-CB 3.36Å; Y390-K450 HydrophobicContact CE2-CG 4.13Å; Y390-K450 WeakPolarHBondContact OH-CG 3.43Å; Y390-L461 HydrophobicContact CE2-CD1 4.29Å; Y390-L468 HydrophobicContact CD1-CD1 4.41Å; Y390-L468 HydrophobicContact CD1-CD2 4.12Å; Y390-L468 HydrophobicContact CE1-CD1 4.15Å; Y390-L468 HydrophobicContact CE1-CD2 3.75Å; Y390-L468 HydrophobicContact CE1-CG 4.03Å
391	M	97.7	Very high	94.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.9	-48.8	175.7	-70.8	174.4	-179.3	0	0	111.4	W355 W359 T374 S387 Y388 A393 A394 F395 I443 L468	W355-M391 HydrophobicContact CH2-CE 3.45Å; W355-M391 VanDerWaalsContact CH2-CE 3.45Å; W355-M391 HydrophobicContact CH2-SD 4.39Å; W355-M391 HydrophobicContact CZ2-CE 4.43Å; W355-M391 HydrophobicContact CZ3-CE 3.6Å; W355-M391 HydrophobicContact CZ3-SD 3.97Å; W359-M391 HydrophobicContact CH2-CE 4.28Å; W359-M391 HydrophobicContact CZ2-CE 3.84Å; W359-M391 HydrophobicContact CZ2-SD 4.45Å; T374-M391 HydrophobicContact CG2-CB 3.75Å; S387-M391 VanDerWaalsContact O-CG 3.25Å; S387-M391 WeakPolarHBondContact O-CG 3.27Å; S387-M391 PolarHBondContact O-N 3.23Å; Y388-M391 PolarHBondContact O-N 2.74Å; M391-A393 VanDerWaalsContact C-N 3.32Å; M391-A393 PolarHBondContact O-N 2.68Å; M391-A394 PolarHBondContact O-N 2.82Å; M391-F395 HydrophobicContact CB-CE2 4.04Å; M391-F395 WeakPolarHBondContact O-CD2 3.38Å; M391-F395 WeakPolarHBondContact O-CG 3.44Å; M391-F395 PolarHBondContact O-N 2.74Å; M391-I443 HydrophobicContact CE-CG1 4.41Å; M391-L468 HydrophobicContact CB-CD1 4.46Å; M391-L468 HydrophobicContact CG-CD1 4.05Å
392	K	97.5	Very high	94.5	Very high	8 Å²	8	26.1 Å²	26.1	4%	0.035	11%	0.114	C	C	.	.	H	α-helix	trans	-56.1	-47.7	175.7	-170.1	177.1	-174.3	-178.6	0	111	I371 T374 E375 Y388 R389 A394 F395 L396 L425	I371-K392 HydrophobicContact CG2-CG 4.2Å; T374-K392 WeakPolarHBondContact OG1-CB 3.34Å; E375-K392 HydrophobicContact CB-CD 4.49Å; E375-K392 IonicContact OE1-NZ 3.19Å; E375-K392 PolarHBondContact OE1-NZ 3.03Å; E375-K392 IonicContact OE2-NZ 3.05Å; E375-K392 PolarHBondContact OE2-NZ 3.01Å; Y388-K392 PolarHBondContact O-N 3.13Å; R389-K392 PolarHBondContact O-N 2.76Å; K392-A394 PolarHBondContact O-N 2.98Å; K392-F395 PolarHBondContact O-N 3.15Å; K392-L396 VanDerWaalsContact O-CB 3.25Å; K392-L396 WeakPolarHBondContact O-CB 3.36Å; K392-L396 PolarHBondContact O-N 3.17Å; K392-L425 HydrophobicContact CB-CD1 4.08Å; K392-L425 HydrophobicContact CD-CD1 3.98Å; K392-L425 HydrophobicContact CD-CD2 4.27Å; K392-L425 HydrophobicContact CG-CD1 3.88Å
393	A	98.1	Very high	94.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.4	-41.2	177.9	0	0	0	0	0	112.6	R389 Y390 M391 L396 L397 V422 L425 L426	R389-A393 WeakPolarHBondContact O-CB 3.49Å; R389-A393 PolarHBondContact O-N 3.43Å; Y390-A393 PolarHBondContact O-N 3.5Å; M391-A393 VanDerWaalsContact C-N 3.32Å; M391-A393 PolarHBondContact O-N 2.68Å; A393-L396 PolarHBondContact O-N 3.24Å; A393-L397 WeakPolarHBondContact O-CB 3.39Å; A393-L397 WeakPolarHBondContact O-CG 3.48Å; A393-L397 PolarHBondContact O-N 3.15Å; A393-V422 HydrophobicContact CB-CG1 4.33Å; A393-L425 HydrophobicContact CB-CB 4.18Å; A393-L425 HydrophobicContact CB-CD1 4.08Å; A393-L426 HydrophobicContact CB-CD1 4.44Å; A393-L426 HydrophobicContact CB-CD2 3.63Å; A393-L426 HydrophobicContact CB-CG 3.91Å
394	A	98.2	Very high	95.3	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.008	13%	0.133	C	C	.	.	H	α-helix	trans	-65	-45.3	178.8	0	0	0	0	0	112.3	Y390 M391 K392 Q398 P464 L468	Y390-A394 VanDerWaalsContact O-CB 3.28Å; Y390-A394 WeakPolarHBondContact O-CB 3.36Å; Y390-A394 PolarHBondContact O-N 3.46Å; M391-A394 PolarHBondContact O-N 2.82Å; K392-A394 PolarHBondContact O-N 2.98Å; A394-Q398 PolarHBondContact O-N 3.4Å; A394-P464 HydrophobicContact CB-CB 3.84Å; A394-P464 HydrophobicContact CB-CG 4.29Å; A394-L468 HydrophobicContact CB-CD1 3.5Å
395	F	98.2	Very high	95.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-67.6	-37.7	176	-59.5	-41.3	0	0	0	111.9	I358 A362 W367 A370 I371 T374 M391 K392 Q398 S399 A465	I358-F395 HydrophobicContact CG2-CE2 3.47Å; I358-F395 VanDerWaalsContact CG2-CE2 3.47Å; I358-F395 HydrophobicContact CG2-CZ 3.73Å; A362-F395 HydrophobicContact CB-CE1 3.83Å; A362-F395 HydrophobicContact CB-CZ 4.01Å; W367-F395 AromaticContact CE3-CD1 3.79Å; W367-F395 HydrophobicContact CE3-CD1 3.79Å; W367-F395 HydrophobicContact CE3-CE1 4.45Å; W367-F395 HydrophobicContact CE3-CG 4.47Å; W367-F395 AromaticContact CZ3-CD1 3.95Å; W367-F395 HydrophobicContact CZ3-CD1 3.95Å; W367-F395 HydrophobicContact CZ3-CE1 4.25Å; A370-F395 HydrophobicContact CB-CD2 3.9Å; A370-F395 HydrophobicContact CB-CE2 4.07Å; A370-F395 HydrophobicContact CB-CG 4.2Å; A370-F395 HydrophobicContact CB-CZ 4.49Å; I371-F395 HydrophobicContact CD1-CB 4.19Å; I371-F395 HydrophobicContact CG1-CB 3.65Å; T374-F395 HydrophobicContact CG2-CD2 3.84Å; T374-F395 HydrophobicContact CG2-CE2 3.63Å; M391-F395 HydrophobicContact CB-CE2 4.04Å; M391-F395 WeakPolarHBondContact O-CD2 3.38Å; M391-F395 WeakPolarHBondContact O-CG 3.44Å; M391-F395 PolarHBondContact O-N 2.74Å; K392-F395 PolarHBondContact O-N 3.15Å; F395-Q398 PolarHBondContact O-N 3.18Å; F395-S399 PolarHBondContact O-N 3.44Å; F395-A465 HydrophobicContact CD1-CB 3.8Å; F395-A465 HydrophobicContact CE1-CB 4.23Å
396	L	97.7	Very high	95.4	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-65.6	-44.6	176.4	-169.3	56.3	0	0	0	111.3	I371 K392 A393 Q398 S399 I400 I408 P418 V421 V422	I371-L396 HydrophobicContact CD1-CB 4.21Å; I371-L396 HydrophobicContact CD1-CD1 4.07Å; K392-L396 VanDerWaalsContact O-CB 3.25Å; K392-L396 WeakPolarHBondContact O-CB 3.36Å; K392-L396 PolarHBondContact O-N 3.17Å; A393-L396 PolarHBondContact O-N 3.24Å; L396-Q398 VanDerWaalsContact C-N 3.33Å; L396-Q398 PolarHBondContact O-N 3.13Å; L396-S399 WeakPolarHBondContact CA-OG 3.39Å; L396-S399 PolarHBondContact O-N 3.24Å; L396-S399 VanDerWaalsContact O-N 3.17Å; L396-S399 PolarHBondContact O-OG 3.37Å; L396-I400 HydrophobicContact CG-CD1 4.47Å; L396-I400 VanDerWaalsContact O-CG1 3.31Å; L396-I400 WeakPolarHBondContact O-CG1 3.44Å; L396-I400 PolarHBondContact O-N 2.99Å; L396-I408 HydrophobicContact CD1-CD1 4.02Å; L396-I408 HydrophobicContact CD2-CD1 3.78Å; L396-P418 HydrophobicContact CD1-CB 3.86Å; L396-P418 HydrophobicContact CD2-CB 4.44Å; L396-P418 WeakPolarHBondContact CD2-O 3.25Å; L396-P418 HydrophobicContact CG-CB 4.14Å; L396-V421 HydrophobicContact CD2-CB 3.93Å; L396-V421 HydrophobicContact CD2-CG1 3.91Å; L396-V422 HydrophobicContact CB-CG2 3.92Å; L396-V422 HydrophobicContact CD2-CG2 3.71Å; L396-V422 HydrophobicContact CG-CG2 3.79Å
397	L	97.6	Very high	95.1	Very high	17 Å²	17	40.1 Å²	40.1	9%	0.089	19%	0.189	C	C	.	.	H	α-helix	trans	-57.7	-43.6	173.2	-79.7	172.3	0	0	0	112.4	A393 I400 E401 V422 Y454 L461 P464	A393-L397 WeakPolarHBondContact O-CB 3.39Å; A393-L397 WeakPolarHBondContact O-CG 3.48Å; A393-L397 PolarHBondContact O-N 3.15Å; L397-I400 PolarHBondContact O-N 3.01Å; L397-E401 PolarHBondContact O-N 3.37Å; L397-E401 VanDerWaalsContact O-N 3.09Å; L397-V422 HydrophobicContact CD1-CG1 4.03Å; L397-V422 HydrophobicContact CD2-CG1 3.99Å; L397-V422 HydrophobicContact CD2-CG2 4.23Å; L397-V422 HydrophobicContact CG-CG1 3.85Å; L397-V422 HydrophobicContact CG-CG2 4.01Å; L397-Y454 HydrophobicContact CD1-CD2 4.17Å; L397-Y454 HydrophobicContact CD1-CE2 4.12Å; L397-Y454 HydrophobicContact CD2-CE2 4.03Å; L397-L461 HydrophobicContact CD1-CB 4.35Å; L397-L461 HydrophobicContact CD1-CD1 4.19Å; L397-P464 HydrophobicContact CB-CG 3.93Å; L397-P464 HydrophobicContact CD1-CG 4.13Å
398	Q	96.7	Very high	94.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.1	-41.9	176.4	-168.6	63.7	55.9	0	0	111.5	W367 A394 F395 L396 I400 E401 D402 A465 L466	W367-Q398 HydrophobicContact CD2-CB 4.42Å; W367-Q398 HydrophobicContact CD2-CG 4.17Å; W367-Q398 HydrophobicContact CH2-CG 4.26Å; W367-Q398 HydrophobicContact CZ2-CG 3.57Å; A394-Q398 PolarHBondContact O-N 3.4Å; F395-Q398 PolarHBondContact O-N 3.18Å; L396-Q398 VanDerWaalsContact C-N 3.33Å; L396-Q398 PolarHBondContact O-N 3.13Å; Q398-I400 VanDerWaalsContact C-N 3.33Å; Q398-I400 PolarHBondContact O-N 3.22Å; Q398-E401 WeakPolarHBondContact O-CB 3.45Å; Q398-E401 PolarHBondContact O-N 3.26Å; Q398-D402 PolarHBondContact NE2-OD1 3.06Å; Q398-D402 WeakPolarHBondContact O-CB 3.4Å; Q398-D402 VanDerWaalsContact O-CG 3.24Å; Q398-D402 PolarHBondContact O-N 3.37Å; Q398-A465 HydrophobicContact CB-CB 3.66Å; Q398-A465 HydrophobicContact CG-CB 3.94Å; Q398-L466 HydrophobicContact CG-CD1 4.47Å
399	S	96.2	Very high	94.3	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.014	23%	0.227	C	C	.	.	H	α-helix	trans	-65.7	-32.2	177.1	71.9	0	0	0	0	113.6	F395 L396 R403 T404 A405	F395-S399 PolarHBondContact O-N 3.44Å; L396-S399 WeakPolarHBondContact CA-OG 3.39Å; L396-S399 PolarHBondContact O-N 3.24Å; L396-S399 VanDerWaalsContact O-N 3.17Å; L396-S399 PolarHBondContact O-OG 3.37Å; S399-R403 PolarHBondContact O-N 2.83Å; S399-R403 VanDerWaalsContact O-N 3.12Å; S399-T404 PolarHBondContact O-N 3.05Å; S399-T404 PolarHBondContact O-OG1 3.42Å; S399-A405 PolarHBondContact O-N 3.27Å; S399-A405 WeakPolarHBondContact OG-CB 3.44Å
400	I	96.1	Very high	93.6	Very high	52 Å²	52	47.7 Å²	47.7	27%	0.267	23%	0.227	S	C	.	.	H	α-helix	trans	-66	-45.9	173.9	-67.8	165.2	0	0	0	109.5	L396 L397 Q398 R403 A405 P418 V422	L396-I400 HydrophobicContact CG-CD1 4.47Å; L396-I400 VanDerWaalsContact O-CG1 3.31Å; L396-I400 WeakPolarHBondContact O-CG1 3.44Å; L396-I400 PolarHBondContact O-N 2.99Å; L397-I400 PolarHBondContact O-N 3.01Å; Q398-I400 VanDerWaalsContact C-N 3.33Å; Q398-I400 PolarHBondContact O-N 3.22Å; I400-R403 PolarHBondContact O-N 3.19Å; I400-R403 VanDerWaalsContact O-N 3.09Å; I400-A405 HydrophobicContact CB-CB 4.44Å; I400-A405 HydrophobicContact CG1-CB 3.74Å; I400-P418 HydrophobicContact CD1-CB 3.55Å; I400-P418 HydrophobicContact CG1-CB 3.6Å; I400-V422 HydrophobicContact CD1-CG2 4.39Å
401	E	93	Very high	92.7	Very high	59 Å²	59	56 Å²	56	28%	0.276	27%	0.265	S	S	.	.	H	α-helix	trans	-62.5	-43.5	178.7	-171.1	175.9	142.8	0	0	112.2	L397 Q398 R403 K495	L397-E401 PolarHBondContact O-N 3.37Å; L397-E401 VanDerWaalsContact O-N 3.09Å; Q398-E401 WeakPolarHBondContact O-CB 3.45Å; Q398-E401 PolarHBondContact O-N 3.26Å; E401-R403 PolarHBondContact O-N 3.42Å; E401-K495 VanDerWaalsContact CD-CE 3.45Å; E401-K495 WeakPolarHBondContact OE1-CE 3.35Å; E401-K495 IonicContact OE1-NZ 2.73Å; E401-K495 PolarHBondContact OE1-NZ 3.48Å; E401-K495 WeakPolarHBondContact OE2-CE 3.47Å; E401-K495 IonicContact OE2-NZ 2.79Å; E401-K495 PolarHBondContact OE2-NZ 3.26Å
402	D	91.8	Very high	92	Very high	57 Å²	57	62.6 Å²	62.6	31%	0.305	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-5.4	176.4	-64.5	-3	0	0	0	112.6	W367 Q398 T404	W367-D402 PolarHBondContact NE1-OD2 2.76Å; Q398-D402 PolarHBondContact NE2-OD1 3.06Å; Q398-D402 WeakPolarHBondContact O-CB 3.4Å; Q398-D402 VanDerWaalsContact O-CG 3.24Å; Q398-D402 PolarHBondContact O-N 3.37Å; D402-T404 VanDerWaalsContact C-N 3.25Å; D402-T404 HydrophobicContact CB-CG2 4.25Å; D402-T404 PolarHBondContact O-N 3.09Å
403	R	91.9	Very high	91.5	Very high	235 Å²	235	64.6 Å²	64.6	89%	0.887	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	33.9	-176.3	-47.5	178	-163.2	-179.1	3.5	113.3	S399 I400 E401	S399-R403 PolarHBondContact O-N 2.83Å; S399-R403 VanDerWaalsContact O-N 3.12Å; I400-R403 PolarHBondContact O-N 3.19Å; I400-R403 VanDerWaalsContact O-N 3.09Å; E401-R403 PolarHBondContact O-N 3.42Å
404	T	92.3	Very high	91.1	Very high	57 Å²	57	69.3 Å²	69.3	35%	0.35	35%	0.348	S	S	.	.			trans	-112.1	-1.5	178.1	57.8	0	0	0	0	113.1	Q368 S399 D402	Q368-T404 PolarHBondContact NE2-O 3.44Å; S399-T404 PolarHBondContact O-N 3.05Å; S399-T404 PolarHBondContact O-OG1 3.42Å; D402-T404 VanDerWaalsContact C-N 3.25Å; D402-T404 HydrophobicContact CB-CG2 4.25Å; D402-T404 PolarHBondContact O-N 3.09Å
405	A	91.9	Very high	90.7	Very high	31 Å²	31	74.1 Å²	74.1	26%	0.256	37%	0.372	S	S	.	.			trans	-69	138.5	175.2	0	0	0	0	0	111.7	S399 I400 P418	S399-A405 PolarHBondContact O-N 3.27Å; S399-A405 WeakPolarHBondContact OG-CB 3.44Å; I400-A405 HydrophobicContact CB-CB 4.44Å; I400-A405 HydrophobicContact CG1-CB 3.74Å; A405-P418 HydrophobicContact CB-CB 4.05Å; A405-P418 HydrophobicContact CB-CG 3.78Å
406	F	89.9	Confident	90.3	Very high	138 Å²	138	75.6 Å²	75.6	61%	0.605	38%	0.379	S	S	*	.			trans	-110.3	153.7	172.5	-59.8	-59.9	0	0	0	110.3	I408 P418	F406-I408 PolarHBondContact O-N 3.42Å; F406-P418 VanDerWaalsContact O-CG 3.31Å; F406-P418 WeakPolarHBondContact O-CG 3.42Å
407	D	89.5	Confident	90.2	Very high	105 Å²	105	81.6 Å²	81.6	56%	0.561	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-58.1	137.6	170.7	-64.8	-24.6	0	0	0	110.6	I415	D407-I415 HydrophobicContact CB-CG2 3.5Å
408	I	87.2	Confident	90	Very high	39 Å²	39	81.4 Å²	81.4	20%	0.2	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	134.8	-174	-63	167.6	0	0	0	107.9	L396 F406 E416 V421	L396-I408 HydrophobicContact CD1-CD1 4.02Å; L396-I408 HydrophobicContact CD2-CD1 3.78Å; F406-I408 PolarHBondContact O-N 3.42Å; I408-E416 PolarHBondContact N-O 2.89Å; I408-E416 PolarHBondContact O-N 3.32Å; I408-V421 HydrophobicContact CB-CG2 4.23Å; I408-V421 HydrophobicContact CD1-CB 4.11Å; I408-V421 HydrophobicContact CD1-CG1 4.12Å; I408-V421 HydrophobicContact CD1-CG2 3.86Å
409	K	85.4	Confident	89.9	Confident	155 Å²	155	84.3 Å²	84.3	67%	0.674	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	122.7	171.2	-71.5	-178.7	-179.4	-179.7	0	109.2	I414 I415	K409-I414 WeakPolarHBondContact CA-O 3.49Å; K409-I415 HydrophobicContact CG-CG1 4.16Å
410	N	81.9	Confident	89.9	Confident	40 Å²	40	88.5 Å²	88.5	21%	0.214	44%	0.438	C	S	.	.			trans	-78.1	178.3	173.7	72.5	14.3	0	0	0	111.5	D412 G413 I414 E416	N410-D412 PolarHBondContact O-N 3.25Å; N410-D412 PolarHBondContact OD1-N 3.07Å; N410-D412 VanDerWaalsContact OD1-N 3.09Å; N410-G413 PolarHBondContact O-N 3.06Å; N410-G413 PolarHBondContact OD1-N 3.24Å; N410-I414 PolarHBondContact N-O 3.02Å; N410-I414 WeakPolarHBondContact OD1-CB 3.47Å; N410-I414 PolarHBondContact OD1-N 3.44Å; N410-I414 PolarHBondContact OD1-O 2.99Å; N410-E416 PolarHBondContact ND2-OE1 3.39Å
411	H	77.5	Confident	89.9	Confident	174 Å²	174	86.3 Å²	86.3	81%	0.806	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.5	-177.8	-68.9	-62.6	0	0	0	114	G413	H411-G413 PolarHBondContact O-N 3.11Å
412	D	84.5	Confident	90.1	Very high	140 Å²	140	83.5 Å²	83.5	75%	0.749	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	2.8	176.8	-60.1	-40.9	0	0	0	112.5	N410 I414	N410-D412 PolarHBondContact O-N 3.25Å; N410-D412 PolarHBondContact OD1-N 3.07Å; N410-D412 VanDerWaalsContact OD1-N 3.09Å; D412-I414 HydrophobicContact CB-CD1 4.22Å; D412-I414 HydrophobicContact CB-CG1 4.21Å; D412-I414 PolarHBondContact O-N 2.83Å
413	G	86.2	Confident	90.4	Very high	50 Å²	50	82 Å²	82	52%	0.515	41%	0.406	S	S	.	.	S	Bend	trans	76.1	8.4	-178.1	0	0	0	0	0	114.2	N410 H411	N410-G413 PolarHBondContact O-N 3.06Å; N410-G413 PolarHBondContact OD1-N 3.24Å; H411-G413 PolarHBondContact O-N 3.11Å
414	I	89.1	Confident	90.6	Very high	98 Å²	98	75.4 Å²	75.4	50%	0.503	39%	0.385	S	S	.	.			trans	-75.7	134.6	176.7	-56.9	172.5	0	0	0	108.6	K409 N410 D412	K409-I414 WeakPolarHBondContact CA-O 3.49Å; N410-I414 PolarHBondContact N-O 3.02Å; N410-I414 WeakPolarHBondContact OD1-CB 3.47Å; N410-I414 PolarHBondContact OD1-N 3.44Å; N410-I414 PolarHBondContact OD1-O 2.99Å; D412-I414 HydrophobicContact CB-CD1 4.22Å; D412-I414 HydrophobicContact CB-CG1 4.21Å; D412-I414 PolarHBondContact O-N 2.83Å
415	I	89.6	Confident	90.8	Very high	102 Å²	102	72.9 Å²	72.9	52%	0.523	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	115.9	176.8	-58.1	177.2	0	0	0	108.1	D407 K409	D407-I415 HydrophobicContact CB-CG2 3.5Å; K409-I415 HydrophobicContact CG-CG1 4.16Å
416	E	91.3	Very high	91.1	Very high	32 Å²	32	71.4 Å²	71.4	15%	0.15	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	137.6	177.5	-64.4	177.9	154.1	0	0	109.6	I408 N410 V421	I408-E416 PolarHBondContact N-O 2.89Å; I408-E416 PolarHBondContact O-N 3.32Å; N410-E416 PolarHBondContact ND2-OE1 3.39Å; E416-V421 HydrophobicContact CB-CG2 3.77Å
417	K	93.7	Very high	91.4	Very high	130 Å²	130	68.5 Å²	68.5	57%	0.565	35%	0.351	S	S	*	.			trans	-71.1	145.5	174.6	-69.3	-177.9	178.3	176.9	0	109.5	Q419 E420 V421	K417-Q419 PolarHBondContact O-N 3.02Å; K417-E420 HydrophobicContact CB-CG 4.15Å; K417-E420 PolarHBondContact N-OE2 3.49Å; K417-E420 WeakPolarHBondContact O-CB 3.37Å; K417-E420 PolarHBondContact O-N 3.2Å; K417-V421 PolarHBondContact O-N 2.84Å
418	P	94.5	Very high	91.7	Very high	13 Å²	13	66.9 Å²	66.9	8%	0.084	34%	0.342	C	S	.	.	H	α-helix	trans	-47.4	-42.1	175.8	-34.3	39.8	0	0	0	114	L396 I400 A405 F406 E420 V421 V422	L396-P418 HydrophobicContact CD1-CB 3.86Å; L396-P418 HydrophobicContact CD2-CB 4.44Å; L396-P418 WeakPolarHBondContact CD2-O 3.25Å; L396-P418 HydrophobicContact CG-CB 4.14Å; I400-P418 HydrophobicContact CD1-CB 3.55Å; I400-P418 HydrophobicContact CG1-CB 3.6Å; A405-P418 HydrophobicContact CB-CB 4.05Å; A405-P418 HydrophobicContact CB-CG 3.78Å; F406-P418 VanDerWaalsContact O-CG 3.31Å; F406-P418 WeakPolarHBondContact O-CG 3.42Å; P418-E420 PolarHBondContact O-N 2.81Å; P418-V421 PolarHBondContact O-N 2.93Å; P418-V422 WeakPolarHBondContact O-CG2 3.44Å; P418-V422 PolarHBondContact O-N 2.94Å
419	Q	95.5	Very high	92.1	Very high	62 Å²	62	65 Å²	65	29%	0.29	33%	0.333	S	S	.	.	H	α-helix	trans	-64.8	-37.1	179.5	-163.7	72.8	38	0	0	113	K417 V422 D423 Y454 K459	K417-Q419 PolarHBondContact O-N 3.02Å; Q419-V422 PolarHBondContact O-N 3.35Å; Q419-D423 VanDerWaalsContact O-CG 3.29Å; Q419-D423 PolarHBondContact O-N 3.35Å; Q419-Y454 PolarHBondContact NE2-OH 2.89Å; Q419-K459 PolarHBondContact NE2-O 3.06Å
420	E	95.2	Very high	92.5	Very high	89 Å²	89	60.8 Å²	60.8	42%	0.416	32%	0.321	S	S	.	.	H	α-helix	trans	-68.6	-39.4	178.9	-65.7	164.3	178.4	0	0	110.3	K417 P418 D423 Q424	K417-E420 HydrophobicContact CB-CG 4.15Å; K417-E420 PolarHBondContact N-OE2 3.49Å; K417-E420 WeakPolarHBondContact O-CB 3.37Å; K417-E420 PolarHBondContact O-N 3.2Å; P418-E420 PolarHBondContact O-N 2.81Å; E420-D423 WeakPolarHBondContact O-CB 3.4Å; E420-D423 PolarHBondContact O-N 3.04Å; E420-Q424 WeakPolarHBondContact O-CG 3.37Å; E420-Q424 PolarHBondContact O-N 2.88Å
421	V	95.7	Very high	93	Very high	7 Å²	7	65.9 Å²	65.9	4%	0.042	35%	0.348	C	S	.	.	H	α-helix	trans	-62.9	-44.5	173.1	179.8	0	0	0	0	110.5	L396 I408 E416 K417 P418 D423 Q424 L425	L396-V421 HydrophobicContact CD2-CB 3.93Å; L396-V421 HydrophobicContact CD2-CG1 3.91Å; I408-V421 HydrophobicContact CB-CG2 4.23Å; I408-V421 HydrophobicContact CD1-CB 4.11Å; I408-V421 HydrophobicContact CD1-CG1 4.12Å; I408-V421 HydrophobicContact CD1-CG2 3.86Å; E416-V421 HydrophobicContact CB-CG2 3.77Å; K417-V421 PolarHBondContact O-N 2.84Å; P418-V421 PolarHBondContact O-N 2.93Å; V421-D423 VanDerWaalsContact C-N 3.31Å; V421-D423 PolarHBondContact O-N 2.94Å; V421-Q424 PolarHBondContact O-N 3.38Å; V421-L425 HydrophobicContact CG1-CD1 3.94Å; V421-L425 HydrophobicContact CG1-CG 4.21Å; V421-L425 WeakPolarHBondContact O-CB 3.28Å; V421-L425 WeakPolarHBondContact O-CG 3.35Å; V421-L425 PolarHBondContact O-N 3.02Å
422	V	97.7	Very high	93.6	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-56.8	-46	174.2	173.5	0	0	0	0	111.3	A393 L396 L397 I400 P418 Q419 Q424 L425 L426 Y454	A393-V422 HydrophobicContact CB-CG1 4.33Å; L396-V422 HydrophobicContact CB-CG2 3.92Å; L396-V422 HydrophobicContact CD2-CG2 3.71Å; L396-V422 HydrophobicContact CG-CG2 3.79Å; L397-V422 HydrophobicContact CD1-CG1 4.03Å; L397-V422 HydrophobicContact CD2-CG1 3.99Å; L397-V422 HydrophobicContact CD2-CG2 4.23Å; L397-V422 HydrophobicContact CG-CG1 3.85Å; L397-V422 HydrophobicContact CG-CG2 4.01Å; I400-V422 HydrophobicContact CD1-CG2 4.39Å; P418-V422 WeakPolarHBondContact O-CG2 3.44Å; P418-V422 PolarHBondContact O-N 2.94Å; Q419-V422 PolarHBondContact O-N 3.35Å; V422-Q424 PolarHBondContact O-N 3.29Å; V422-L425 PolarHBondContact O-N 2.93Å; V422-L426 HydrophobicContact CG1-CD1 3.72Å; V422-L426 HydrophobicContact CG1-CG 4.2Å; V422-L426 WeakPolarHBondContact O-CG 3.49Å; V422-L426 PolarHBondContact O-N 2.75Å; V422-Y454 HydrophobicContact CG1-CE1 4.36Å; V422-Y454 HydrophobicContact CG1-CE2 3.85Å
423	D	97.8	Very high	93.8	Very high	25 Å²	25	55.3 Å²	55.3	13%	0.134	30%	0.298	C	S	.	.	H	α-helix	trans	-57.5	-50.2	179.5	-71.2	-24	0	0	0	111.2	Q419 E420 V421 L425 L426 T427 Y454 K459	Q419-D423 VanDerWaalsContact O-CG 3.29Å; Q419-D423 PolarHBondContact O-N 3.35Å; E420-D423 WeakPolarHBondContact O-CB 3.4Å; E420-D423 PolarHBondContact O-N 3.04Å; V421-D423 VanDerWaalsContact C-N 3.31Å; V421-D423 PolarHBondContact O-N 2.94Å; D423-L425 PolarHBondContact O-N 3.04Å; D423-L426 PolarHBondContact O-N 3.24Å; D423-T427 WeakPolarHBondContact O-CB 3.4Å; D423-T427 PolarHBondContact O-N 3.03Å; D423-T427 PolarHBondContact O-OG1 2.89Å; D423-Y454 WeakPolarHBondContact OD1-CE1 3.44Å; D423-Y454 VanDerWaalsContact OD1-CZ 3.3Å; D423-Y454 PolarHBondContact OD1-OH 3.34Å; D423-K459 WeakPolarHBondContact OD1-CD 3.47Å; D423-K459 IonicContact OD1-NZ 2.75Å; D423-K459 WeakPolarHBondContact OD2-CE 3.37Å; D423-K459 IonicContact OD2-NZ 3.38Å; D423-K459 PolarHBondContact OD2-NZ 2.97Å
424	Q	95.7	Very high	93.6	Very high	96 Å²	96	57 Å²	57	45%	0.449	29%	0.291	S	S	.	.	H	α-helix	trans	-58.6	-50.3	177.8	-67.3	173.7	12.2	0	0	111.5	E420 V421 V422 L426 T427 D428	E420-Q424 WeakPolarHBondContact O-CG 3.37Å; E420-Q424 PolarHBondContact O-N 2.88Å; V421-Q424 PolarHBondContact O-N 3.38Å; V422-Q424 PolarHBondContact O-N 3.29Å; Q424-L426 VanDerWaalsContact C-N 3.29Å; Q424-L426 PolarHBondContact O-N 2.94Å; Q424-T427 PolarHBondContact O-N 3.37Å; Q424-D428 PolarHBondContact O-N 3.39Å
425	L	96.7	Very high	92.8	Very high	5 Å²	5	59.3 Å²	59.3	3%	0.026	29%	0.294	C	S	.	.	H	α-helix	trans	-56.4	-42.7	-179.6	-67.7	172.6	0	0	0	112.2	R389 K392 A393 V421 V422 D423	R389-L425 HydrophobicContact CB-CD2 4.44Å; R389-L425 HydrophobicContact CG-CD2 4.42Å; K392-L425 HydrophobicContact CB-CD1 4.08Å; K392-L425 HydrophobicContact CD-CD1 3.98Å; K392-L425 HydrophobicContact CD-CD2 4.27Å; K392-L425 HydrophobicContact CG-CD1 3.88Å; A393-L425 HydrophobicContact CB-CB 4.18Å; A393-L425 HydrophobicContact CB-CD1 4.08Å; V421-L425 HydrophobicContact CG1-CD1 3.94Å; V421-L425 HydrophobicContact CG1-CG 4.21Å; V421-L425 WeakPolarHBondContact O-CB 3.28Å; V421-L425 WeakPolarHBondContact O-CG 3.35Å; V421-L425 PolarHBondContact O-N 3.02Å; V422-L425 PolarHBondContact O-N 2.93Å; D423-L425 PolarHBondContact O-N 3.04Å
426	L	97.9	Very high	91.8	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-80.7	-30	-176.6	-64.7	-177.2	0	0	0	112.9	Y390 A393 V422 D423 Q424 D428 I429 S451 Y454 F455	Y390-L426 HydrophobicContact CD2-CD2 4.02Å; A393-L426 HydrophobicContact CB-CD1 4.44Å; A393-L426 HydrophobicContact CB-CD2 3.63Å; A393-L426 HydrophobicContact CB-CG 3.91Å; V422-L426 HydrophobicContact CG1-CD1 3.72Å; V422-L426 HydrophobicContact CG1-CG 4.2Å; V422-L426 WeakPolarHBondContact O-CG 3.49Å; V422-L426 PolarHBondContact O-N 2.75Å; D423-L426 PolarHBondContact O-N 3.24Å; Q424-L426 VanDerWaalsContact C-N 3.29Å; Q424-L426 PolarHBondContact O-N 2.94Å; L426-D428 VanDerWaalsContact C-N 3.28Å; L426-D428 PolarHBondContact O-N 2.82Å; L426-I429 HydrophobicContact CD2-CD1 3.57Å; L426-S451 WeakPolarHBondContact O-CB 3.48Å; L426-Y454 HydrophobicContact CB-CD1 4.4Å; L426-Y454 HydrophobicContact CD1-CD1 3.44Å; L426-Y454 VanDerWaalsContact CD1-CD1 3.44Å; L426-Y454 HydrophobicContact CD1-CD2 3.75Å; L426-Y454 HydrophobicContact CD1-CE1 3.85Å; L426-Y454 HydrophobicContact CD1-CE2 4.12Å; L426-Y454 HydrophobicContact CD1-CG 3.37Å; L426-F455 HydrophobicContact CB-CE2 3.97Å; L426-F455 HydrophobicContact CB-CZ 4.08Å
427	T	97.6	Very high	90.4	Very high	77 Å²	77	55.4 Å²	55.4	47%	0.472	28%	0.275	S	S	.	.	H	α-helix	trans	-62.5	-35.1	174.2	-67.8	0	0	0	0	112.1	D423 Q424 P430 F455	D423-T427 WeakPolarHBondContact O-CB 3.4Å; D423-T427 PolarHBondContact O-N 3.03Å; D423-T427 PolarHBondContact O-OG1 2.89Å; Q424-T427 PolarHBondContact O-N 3.37Å; T427-P430 VanDerWaalsContact O-CD 3.32Å; T427-P430 WeakPolarHBondContact O-CD 3.37Å; T427-F455 WeakPolarHBondContact OG1-CZ 3.33Å
428	D	95.1	Very high	89.2	Confident	70 Å²	70	50.8 Å²	50.8	37%	0.374	26%	0.264	S	S	.	.	H	α-helix	trans	-79.3	-24.4	-175.3	-71.8	-16.5	0	0	0	114.3	Q424 L426 P430 N431 M432	Q424-D428 PolarHBondContact O-N 3.39Å; L426-D428 VanDerWaalsContact C-N 3.28Å; L426-D428 PolarHBondContact O-N 2.82Å; D428-P430 VanDerWaalsContact C-CD 3.45Å; D428-N431 PolarHBondContact O-N 3.02Å; D428-M432 HydrophobicContact CB-CE 3.83Å; D428-M432 HydrophobicContact CB-SD 4.26Å
429	I	95.9	Very high	88.2	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-50.1	-46.2	-173.8	-76.8	169.9	0	0	0	114	A386 R389 Y390 L426 N431 M432 V433 A447 L448	A386-I429 HydrophobicContact CB-CG2 4.36Å; R389-I429 HydrophobicContact CB-CG1 4.37Å; Y390-I429 HydrophobicContact CD2-CD1 4.47Å; L426-I429 HydrophobicContact CD2-CD1 3.57Å; I429-N431 PolarHBondContact O-N 3.48Å; I429-N431 VanDerWaalsContact O-N 3.1Å; I429-M432 PolarHBondContact O-N 3.13Å; I429-V433 HydrophobicContact CG2-CG2 4.5Å; I429-V433 PolarHBondContact O-N 3.24Å; I429-A447 HydrophobicContact CD1-CB 4.3Å; I429-A447 HydrophobicContact CG2-CB 4.12Å; I429-L448 HydrophobicContact CG2-CB 4.35Å; I429-L448 HydrophobicContact CG2-CD1 4.47Å
430	P	93.2	Very high	87.2	Confident	66 Å²	66	57 Å²	57	43%	0.429	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-54	-30.5	179.2	-26.6	35.9	0	0	0	114.6	T427 D428 L448	T427-P430 VanDerWaalsContact O-CD 3.32Å; T427-P430 WeakPolarHBondContact O-CD 3.37Å; D428-P430 VanDerWaalsContact C-CD 3.45Å; P430-L448 HydrophobicContact CB-CD1 3.93Å; P430-L448 HydrophobicContact CG-CD1 3.89Å
431	N	92	Very high	86.4	Confident	147 Å²	147	55.3 Å²	55.3	79%	0.786	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-87.8	-6.8	-179.4	-59.1	-38.5	0	0	0	113.1	D428 I429	D428-N431 PolarHBondContact O-N 3.02Å; I429-N431 PolarHBondContact O-N 3.48Å; I429-N431 VanDerWaalsContact O-N 3.1Å
432	M	90.8	Very high	85.8	Confident	53 Å²	53	57.9 Å²	57.9	26%	0.261	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-8.8	-174.7	-66.5	-178.2	171.4	0	0	114.3	Q385 A386 R389 D428 I429 K434	Q385-M432 HydrophobicContact CB-CB 4.47Å; Q385-M432 HydrophobicContact CB-SD 4.21Å; A386-M432 HydrophobicContact CB-CB 4.01Å; R389-M432 HydrophobicContact CG-SD 4.05Å; D428-M432 HydrophobicContact CB-CE 3.83Å; D428-M432 HydrophobicContact CB-SD 4.26Å; I429-M432 PolarHBondContact O-N 3.13Å; M432-K434 PolarHBondContact O-N 3.37Å
433	V	88	Confident	85.2	Confident	40 Å²	40	58.8 Å²	58.8	24%	0.242	30%	0.301	C	S	.	.			trans	-69.2	121.2	-177.9	178.5	0	0	0	0	110.5	A386 I429 E444 L448	A386-V433 HydrophobicContact CB-CG2 4.29Å; I429-V433 HydrophobicContact CG2-CG2 4.5Å; I429-V433 PolarHBondContact O-N 3.24Å; V433-E444 HydrophobicContact CG1-CB 4.19Å; V433-L448 HydrophobicContact CG2-CB 4.14Å; V433-L448 HydrophobicContact CG2-CD1 4.46Å; V433-L448 HydrophobicContact CG2-CD2 4.36Å
434	K	82.1	Confident	84.8	Confident	85 Å²	85	57.6 Å²	57.6	37%	0.37	30%	0.295	S	S	.	.			trans	-98.3	160.2	179	-67.1	-177.8	-179.8	179.4	0	111.3	R382 M432 F436 S440 E444	R382-K434 PolarHBondContact O-NZ 3.35Å; M432-K434 PolarHBondContact O-N 3.37Å; K434-F436 HydrophobicContact CB-CE2 4.12Å; K434-F436 HydrophobicContact CB-CZ 4.27Å; K434-F436 HydrophobicContact CD-CZ 4.42Å; K434-S440 VanDerWaalsContact O-CA 3.32Å; K434-S440 WeakPolarHBondContact O-CA 3.49Å; K434-S440 WeakPolarHBondContact O-CB 3.43Å; K434-E444 PolarHBondContact N-OE2 3.3Å
435	R	73.7	Confident	84.5	Confident	146 Å²	146	57.6 Å²	57.6	55%	0.551	29%	0.293	S	S	*	.			trans	-124.2	127.1	174.8	-65.7	178.3	-178.5	-106.4	1.2	109.7	E168 R439	E168-R435 WeakPolarHBondContact CG-O 3.25Å; R435-R439 CarbonylContact C-O 3.36Å; R435-R439 WeakPolarHBondContact CA-O 3.28Å
436	F	66.8	Low	84.3	Confident	44 Å²	44	57.7 Å²	57.7	19%	0.193	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-109.9	124.4	173.5	-57.1	-83.3	0	0	0	108.3	K434 G438 R439 L441	K434-F436 HydrophobicContact CB-CE2 4.12Å; K434-F436 HydrophobicContact CB-CZ 4.27Å; K434-F436 HydrophobicContact CD-CZ 4.42Å; F436-G438 PolarHBondContact O-N 2.81Å; F436-G438 VanDerWaalsContact O-N 3.15Å; F436-R439 PolarHBondContact N-O 3.48Å; F436-R439 PolarHBondContact O-N 2.71Å; F436-L441 HydrophobicContact CD2-CD1 4.37Å; F436-L441 HydrophobicContact CD2-CD2 4.01Å; F436-L441 HydrophobicContact CD2-CG 3.87Å; F436-L441 HydrophobicContact CE2-CD1 3.78Å; F436-L441 HydrophobicContact CE2-CD2 4.23Å; F436-L441 HydrophobicContact CE2-CG 3.77Å
437	G	62.9	Low	84.1	Confident	9 Å²	9	57.7 Å²	57.7	9%	0.093	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	35.3	-173.6	0	0	0	0	0	113.9	E168 R439	E168-G437 CarbonylContact O-C 3.57Å; G437-R439 VanDerWaalsContact C-N 3.29Å; G437-R439 PolarHBondContact O-N 3.3Å
438	G	67.7	Low	84	Confident	32 Å²	32	56.9 Å²	56.9	33%	0.33	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	-1.4	-179.5	0	0	0	0	0	115.2	E168 F436	E168-G438 WeakPolarHBondContact O-CA 3.33Å; E168-G438 PolarHBondContact O-N 3.27Å; F436-G438 PolarHBondContact O-N 2.81Å; F436-G438 VanDerWaalsContact O-N 3.15Å
439	R	74	Confident	83.9	Confident	188 Å²	188	55.6 Å²	55.6	71%	0.709	28%	0.276	S	S	*	.	B	Isolated β-bridge	trans	-117.3	136	-178.9	-59.8	-68.2	-168.3	167.8	3.2	110.5	R435 F436 G437	R435-R439 CarbonylContact C-O 3.36Å; R435-R439 WeakPolarHBondContact CA-O 3.28Å; F436-R439 PolarHBondContact N-O 3.48Å; F436-R439 PolarHBondContact O-N 2.71Å; G437-R439 VanDerWaalsContact C-N 3.29Å; G437-R439 PolarHBondContact O-N 3.3Å
440	S	74	Confident	83.9	Confident	18 Å²	18	55.8 Å²	55.8	13%	0.126	28%	0.277	C	S	.	.			trans	-80.2	152.1	169.7	50.4	0	0	0	0	111.8	K434 K445	K434-S440 VanDerWaalsContact O-CA 3.32Å; K434-S440 WeakPolarHBondContact O-CA 3.49Å; K434-S440 WeakPolarHBondContact O-CB 3.43Å; S440-K445 VanDerWaalsContact O-CE 3.3Å; S440-K445 WeakPolarHBondContact O-CE 3.41Å; S440-K445 WeakPolarHBondContact OG-CE 3.29Å; S440-K445 VanDerWaalsContact OG-CG 3.24Å; S440-K445 WeakPolarHBondContact OG-CG 3.43Å
441	L	79.7	Confident	84	Confident	53 Å²	53	52.7 Å²	52.7	28%	0.277	26%	0.257	S	S	.	.			trans	-58.1	140.4	175.9	-64.7	174.3	0	0	0	110.2	F436 I443 E444 K445	F436-L441 HydrophobicContact CD2-CD1 4.37Å; F436-L441 HydrophobicContact CD2-CD2 4.01Å; F436-L441 HydrophobicContact CD2-CG 3.87Å; F436-L441 HydrophobicContact CE2-CD1 3.78Å; F436-L441 HydrophobicContact CE2-CD2 4.23Å; F436-L441 HydrophobicContact CE2-CG 3.77Å; L441-I443 HydrophobicContact CB-CG2 4.17Å; L441-I443 PolarHBondContact O-N 2.88Å; L441-I443 VanDerWaalsContact O-N 3.16Å; L441-E444 HydrophobicContact CB-CB 4.45Å; L441-E444 HydrophobicContact CB-CG 4.14Å; L441-E444 PolarHBondContact O-N 3.49Å; L441-E444 VanDerWaalsContact O-N 3.12Å; L441-K445 PolarHBondContact O-N 3.4Å
442	P	81.7	Confident	84.2	Confident	61 Å²	61	48.9 Å²	48.9	40%	0.396	24%	0.242	S	C	.	.	H	α-helix	trans	-53.4	-37.5	179.8	-28.7	35.6	0	0	0	113.8	K445 I446	P442-K445 WeakPolarHBondContact O-CB 3.43Å; P442-K445 PolarHBondContact O-N 2.93Å; P442-I446 PolarHBondContact O-N 3.38Å
443	I	85.1	Confident	84.4	Confident	20 Å²	20	47 Å²	47	10%	0.103	23%	0.232	C	C	.	.	H	α-helix	trans	-70.5	-37.5	180	-174	64.1	0	0	0	112.7	S387 M391 L441 K445 I446 A447 L468 W472	S387-I443 WeakPolarHBondContact OG-CG2 3.41Å; M391-I443 HydrophobicContact CE-CG1 4.41Å; L441-I443 HydrophobicContact CB-CG2 4.17Å; L441-I443 PolarHBondContact O-N 2.88Å; L441-I443 VanDerWaalsContact O-N 3.16Å; I443-K445 VanDerWaalsContact C-N 3.27Å; I443-K445 PolarHBondContact O-N 3.15Å; I443-I446 HydrophobicContact CD1-CD1 4.08Å; I443-I446 WeakPolarHBondContact O-CB 3.48Å; I443-I446 PolarHBondContact O-N 2.81Å; I443-I446 VanDerWaalsContact O-N 3.1Å; I443-A447 PolarHBondContact O-N 2.78Å; I443-L468 HydrophobicContact CD1-CD2 4.03Å; I443-W472 HydrophobicContact CG1-CZ2 4.48Å
444	E	90.7	Very high	84.8	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-67.7	-30.8	175.6	-65.5	-170.7	170.1	0	0	111.8	S384 A386 V433 K434 L441 I446 A447 L448	S384-E444 WeakPolarHBondContact CA-OE1 3.43Å; S384-E444 WeakPolarHBondContact CB-OE1 3.46Å; S384-E444 VanDerWaalsContact OG-CD 3.29Å; S384-E444 WeakPolarHBondContact OG-CG 3.42Å; S384-E444 PolarHBondContact OG-OE1 3.34Å; A386-E444 HydrophobicContact CB-CB 4.39Å; A386-E444 HydrophobicContact CB-CG 4.02Å; V433-E444 HydrophobicContact CG1-CB 4.19Å; K434-E444 PolarHBondContact N-OE2 3.3Å; L441-E444 HydrophobicContact CB-CB 4.45Å; L441-E444 HydrophobicContact CB-CG 4.14Å; L441-E444 PolarHBondContact O-N 3.49Å; L441-E444 VanDerWaalsContact O-N 3.12Å; E444-I446 VanDerWaalsContact C-N 3.33Å; E444-A447 PolarHBondContact O-N 3.03Å; E444-L448 WeakPolarHBondContact O-CB 3.23Å; E444-L448 PolarHBondContact O-N 3.27Å
445	K	90	Very high	85.5	Confident	95 Å²	95	45 Å²	45	41%	0.413	22%	0.22	S	C	.	.	H	α-helix	trans	-65.2	-37.9	171.6	-65.2	177.8	-175.4	168.7	0	111.8	S440 L441 P442 I443 R449	S440-K445 VanDerWaalsContact O-CE 3.3Å; S440-K445 WeakPolarHBondContact O-CE 3.41Å; S440-K445 WeakPolarHBondContact OG-CE 3.29Å; S440-K445 VanDerWaalsContact OG-CG 3.24Å; S440-K445 WeakPolarHBondContact OG-CG 3.43Å; L441-K445 PolarHBondContact O-N 3.4Å; P442-K445 WeakPolarHBondContact O-CB 3.43Å; P442-K445 PolarHBondContact O-N 2.93Å; I443-K445 VanDerWaalsContact C-N 3.27Å; I443-K445 PolarHBondContact O-N 3.15Å; K445-R449 WeakPolarHBondContact O-CB 3.38Å; K445-R449 PolarHBondContact O-N 3.04Å; K445-R449 VanDerWaalsContact O-N 3.1Å
446	I	90.8	Very high	86.5	Confident	7 Å²	7	41.6 Å²	41.6	4%	0.036	22%	0.223	C	C	.	.	H	α-helix	trans	-65.6	-48.7	173.9	-62.5	163.3	0	0	0	109.5	Y390 P442 I443 E444 L448 R449 K450 I471 L589	Y390-I446 HydrophobicContact CE1-CG2 4.04Å; P442-I446 PolarHBondContact O-N 3.38Å; I443-I446 HydrophobicContact CD1-CD1 4.08Å; I443-I446 WeakPolarHBondContact O-CB 3.48Å; I443-I446 PolarHBondContact O-N 2.81Å; I443-I446 VanDerWaalsContact O-N 3.1Å; E444-I446 VanDerWaalsContact C-N 3.33Å; I446-L448 VanDerWaalsContact C-N 3.34Å; I446-L448 PolarHBondContact O-N 3.36Å; I446-R449 PolarHBondContact O-N 3Å; I446-K450 HydrophobicContact CG2-CG 3.91Å; I446-K450 WeakPolarHBondContact O-CB 3.43Å; I446-K450 WeakPolarHBondContact O-CG 3.48Å; I446-K450 PolarHBondContact O-N 3.21Å; I446-I471 HydrophobicContact CD1-CD1 3.81Å; I446-I471 HydrophobicContact CD1-CG2 4.09Å; I446-I471 HydrophobicContact CG2-CD1 4.38Å; I446-L589 HydrophobicContact CD1-CD1 4.06Å; I446-L589 HydrophobicContact CD1-CD2 3.2Å; I446-L589 HydrophobicContact CD1-CG 3.97Å; I446-L589 HydrophobicContact CG1-CD2 3.8Å; I446-L589 HydrophobicContact CG1-CG 4.28Å
447	A	94.9	Very high	87.7	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-52.8	-50.7	178.2	0	0	0	0	0	111.3	Y390 I429 I443 E444 R449 K450 S451	Y390-A447 HydrophobicContact CD1-CB 4.2Å; Y390-A447 HydrophobicContact CG-CB 3.83Å; I429-A447 HydrophobicContact CD1-CB 4.3Å; I429-A447 HydrophobicContact CG2-CB 4.12Å; I443-A447 PolarHBondContact O-N 2.78Å; E444-A447 PolarHBondContact O-N 3.03Å; A447-R449 PolarHBondContact O-N 3.33Å; A447-K450 PolarHBondContact O-N 2.98Å; A447-S451 WeakPolarHBondContact O-CB 3.33Å; A447-S451 PolarHBondContact O-N 2.97Å; A447-S451 PolarHBondContact O-OG 3.41Å
448	L	94.7	Very high	89.1	Confident	61 Å²	61	47.7 Å²	47.7	32%	0.319	26%	0.255	S	S	.	.	H	α-helix	trans	-60.9	-43.3	178.1	-179.3	61.4	0	0	0	113.4	I429 P430 V433 E444 I446 S451 S452	I429-L448 HydrophobicContact CG2-CB 4.35Å; I429-L448 HydrophobicContact CG2-CD1 4.47Å; P430-L448 HydrophobicContact CB-CD1 3.93Å; P430-L448 HydrophobicContact CG-CD1 3.89Å; V433-L448 HydrophobicContact CG2-CB 4.14Å; V433-L448 HydrophobicContact CG2-CD1 4.46Å; V433-L448 HydrophobicContact CG2-CD2 4.36Å; E444-L448 WeakPolarHBondContact O-CB 3.23Å; E444-L448 PolarHBondContact O-N 3.27Å; I446-L448 VanDerWaalsContact C-N 3.34Å; I446-L448 PolarHBondContact O-N 3.36Å; L448-S451 PolarHBondContact O-OG 3.25Å; L448-S452 PolarHBondContact O-N 3.28Å; L448-S452 PolarHBondContact O-OG 2.84Å
449	R	92.9	Very high	90.4	Very high	43 Å²	43	50.9 Å²	50.9	16%	0.162	26%	0.26	C	S	.	.	H	α-helix	trans	-66.3	-45.5	179	-175.2	179.7	77	125.1	5.4	110.9	K445 I446 A447 S452 R453 M549 D550 H588	K445-R449 WeakPolarHBondContact O-CB 3.38Å; K445-R449 PolarHBondContact O-N 3.04Å; K445-R449 VanDerWaalsContact O-N 3.1Å; I446-R449 PolarHBondContact O-N 3Å; A447-R449 PolarHBondContact O-N 3.33Å; R449-S452 PolarHBondContact O-N 3.5Å; R449-R453 WeakPolarHBondContact O-CB 3.47Å; R449-R453 PolarHBondContact O-N 3.42Å; R449-M549 PolarHBondContact NH1-O 3.49Å; R449-D550 IonicContact CZ-OD1 3.21Å; R449-D550 VanDerWaalsContact CZ-OD1 3.25Å; R449-D550 IonicContact NH1-OD1 3.09Å; R449-D550 PolarHBondContact NH1-OD1 3.48Å; R449-D550 IonicContact NH2-OD1 3.88Å; R449-D550 PolarHBondContact NH2-OD1 3.2Å; R449-H588 WeakPolarHBondContact CD-NE2 3.25Å; R449-H588 PolarHBondContact NH1-CD2 2.9Å
450	K	95.3	Very high	91.3	Very high	3 Å²	3	45.9 Å²	45.9	1%	0.013	24%	0.241	C	C	.	.	H	α-helix	trans	-73.2	-33.8	-176.1	-69.8	-80.6	176	167.8	0	111.7	Y390 I446 A447 R453 Y454 L461 E467 D550	Y390-K450 HydrophobicContact CD2-CB 4.25Å; Y390-K450 HydrophobicContact CE2-CB 3.36Å; Y390-K450 HydrophobicContact CE2-CG 4.13Å; Y390-K450 WeakPolarHBondContact OH-CG 3.43Å; I446-K450 HydrophobicContact CG2-CG 3.91Å; I446-K450 WeakPolarHBondContact O-CB 3.43Å; I446-K450 WeakPolarHBondContact O-CG 3.48Å; I446-K450 PolarHBondContact O-N 3.21Å; A447-K450 PolarHBondContact O-N 2.98Å; K450-R453 PolarHBondContact O-N 3.31Å; K450-Y454 WeakPolarHBondContact O-CB 3.43Å; K450-Y454 PolarHBondContact O-N 3.21Å; K450-L461 HydrophobicContact CB-CD1 4.2Å; K450-L461 HydrophobicContact CD-CD2 4.14Å; K450-E467 WeakPolarHBondContact CE-OE1 3.41Å; K450-E467 WeakPolarHBondContact CE-OE2 3.33Å; K450-E467 IonicContact NZ-OE1 2.71Å; K450-E467 PolarHBondContact NZ-OE1 2.87Å; K450-E467 IonicContact NZ-OE2 2.76Å; K450-E467 PolarHBondContact NZ-OE2 2.84Å; K450-D550 IonicContact NZ-OD2 2.72Å
451	S	97.1	Very high	92.3	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.014	24%	0.236	C	C	.	.	H	α-helix	trans	-62.4	-44.9	170.4	68.6	0	0	0	0	111.9	L426 A447 L448 R453 Y454 F455	L426-S451 WeakPolarHBondContact O-CB 3.48Å; A447-S451 WeakPolarHBondContact O-CB 3.33Å; A447-S451 PolarHBondContact O-N 2.97Å; A447-S451 PolarHBondContact O-OG 3.41Å; L448-S451 PolarHBondContact O-OG 3.25Å; S451-R453 PolarHBondContact O-N 3.17Å; S451-Y454 WeakPolarHBondContact O-CB 3.47Å; S451-Y454 PolarHBondContact O-N 2.91Å; S451-F455 WeakPolarHBondContact O-CD2 3.45Å; S451-F455 PolarHBondContact O-N 3.45Å
452	S	96	Very high	93.1	Very high	67 Å²	67	43 Å²	43	47%	0.469	22%	0.224	S	C	.	.	H	α-helix	trans	-64	-42.4	177.1	-55.8	0	0	0	0	111.7	L448 R449 A456	L448-S452 PolarHBondContact O-N 3.28Å; L448-S452 PolarHBondContact O-OG 2.84Å; R449-S452 PolarHBondContact O-N 3.5Å; S452-A456 PolarHBondContact O-N 3.21Å; S452-A456 VanDerWaalsContact O-N 3.15Å
453	R	94.5	Very high	93.8	Very high	14 Å²	14	40 Å²	40	5%	0.053	21%	0.205	C	C	.	.	H	α-helix	trans	-64.6	-40.3	177.3	178.3	168.7	173.6	172	-7.4	112.3	R449 K450 S451 F455 A456 Q457 L461 D512 D550	R449-R453 WeakPolarHBondContact O-CB 3.47Å; R449-R453 PolarHBondContact O-N 3.42Å; K450-R453 PolarHBondContact O-N 3.31Å; S451-R453 PolarHBondContact O-N 3.17Å; R453-F455 VanDerWaalsContact C-N 3.34Å; R453-F455 PolarHBondContact O-N 3.41Å; R453-A456 PolarHBondContact O-N 3.35Å; R453-A456 VanDerWaalsContact O-N 3.17Å; R453-Q457 HydrophobicContact CG-CG 3.97Å; R453-Q457 VanDerWaalsContact NE-CD 3.26Å; R453-Q457 WeakPolarHBondContact O-CB 3.33Å; R453-Q457 WeakPolarHBondContact O-CG 3.31Å; R453-Q457 PolarHBondContact O-N 2.9Å; R453-L461 HydrophobicContact CB-CD2 4.26Å; R453-L461 HydrophobicContact CG-CD2 4.01Å; R453-D512 IonicContact CZ-OD1 3.9Å; R453-D512 IonicContact NH2-OD1 3.26Å; R453-D512 PolarHBondContact NH2-OD1 2.91Å; R453-D550 IonicContact CZ-OD2 2.6Å; R453-D550 IonicContact NH1-OD1 3.87Å; R453-D550 PolarHBondContact NH1-OD1 3.5Å; R453-D550 IonicContact NH1-OD2 3.53Å; R453-D550 PolarHBondContact NH1-OD2 3.34Å; R453-D550 IonicContact NH2-OD2 3.2Å; R453-D550 PolarHBondContact NH2-OD2 3.03Å
454	Y	96.9	Very high	94.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-54.7	-49.5	177.7	169.5	-96.9	0	0	0	111.7	L397 Q419 V422 D423 L426 K450 S451 Q457 K459 L461	L397-Y454 HydrophobicContact CD1-CD2 4.17Å; L397-Y454 HydrophobicContact CD1-CE2 4.12Å; L397-Y454 HydrophobicContact CD2-CE2 4.03Å; Q419-Y454 PolarHBondContact NE2-OH 2.89Å; V422-Y454 HydrophobicContact CG1-CE1 4.36Å; V422-Y454 HydrophobicContact CG1-CE2 3.85Å; D423-Y454 WeakPolarHBondContact OD1-CE1 3.44Å; D423-Y454 VanDerWaalsContact OD1-CZ 3.3Å; D423-Y454 PolarHBondContact OD1-OH 3.34Å; L426-Y454 HydrophobicContact CB-CD1 4.4Å; L426-Y454 HydrophobicContact CD1-CD1 3.44Å; L426-Y454 VanDerWaalsContact CD1-CD1 3.44Å; L426-Y454 HydrophobicContact CD1-CD2 3.75Å; L426-Y454 HydrophobicContact CD1-CE1 3.85Å; L426-Y454 HydrophobicContact CD1-CE2 4.12Å; L426-Y454 HydrophobicContact CD1-CG 3.37Å; K450-Y454 WeakPolarHBondContact O-CB 3.43Å; K450-Y454 PolarHBondContact O-N 3.21Å; S451-Y454 WeakPolarHBondContact O-CB 3.47Å; S451-Y454 PolarHBondContact O-N 2.91Å; Y454-Q457 PolarHBondContact O-N 3.19Å; Y454-K459 VanDerWaalsContact CD2-C 3.44Å; Y454-K459 HydrophobicContact CE1-CB 3.9Å; Y454-K459 HydrophobicContact CE1-CG 3.82Å; Y454-K459 VanDerWaalsContact CE2-CA 3.44Å; Y454-K459 HydrophobicContact CE2-CB 3.84Å; Y454-K459 WeakPolarHBondContact CE2-O 3.44Å; Y454-K459 VanDerWaalsContact CZ-CB 3.47Å; Y454-K459 WeakPolarHBondContact O-CA 3.34Å; Y454-K459 PolarHBondContact O-N 3.03Å; Y454-K459 WeakPolarHBondContact OH-CB 3.42Å; Y454-L461 HydrophobicContact CD2-CD1 4.49Å; Y454-L461 HydrophobicContact CD2-CG 4.15Å
455	F	96.7	Very high	94.7	Very high	81 Å²	81	39.1 Å²	39.1	36%	0.355	20%	0.201	S	C	.	.	H	α-helix	trans	-68.9	-35.5	177.7	-65.3	-65.9	0	0	0	112.8	L426 T427 S451 R453 Q457	L426-F455 HydrophobicContact CB-CE2 3.97Å; L426-F455 HydrophobicContact CB-CZ 4.08Å; T427-F455 WeakPolarHBondContact OG1-CZ 3.33Å; S451-F455 WeakPolarHBondContact O-CD2 3.45Å; S451-F455 PolarHBondContact O-N 3.45Å; R453-F455 VanDerWaalsContact C-N 3.34Å; R453-F455 PolarHBondContact O-N 3.41Å; F455-Q457 VanDerWaalsContact C-N 3.28Å; F455-Q457 PolarHBondContact O-N 3.46Å
456	A	93.3	Very high	95.1	Very high	76 Å²	76	34.6 Å²	34.6	63%	0.628	18%	0.181	S	C	*	.	H	α-helix	trans	-68.8	-24.9	176.4	0	0	0	0	0	113.6	S452 R453	S452-A456 PolarHBondContact O-N 3.21Å; S452-A456 VanDerWaalsContact O-N 3.15Å; R453-A456 PolarHBondContact O-N 3.35Å; R453-A456 VanDerWaalsContact O-N 3.17Å
457	Q	91.9	Very high	95.4	Very high	27 Å²	27	34.3 Å²	34.3	13%	0.126	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	34.8	-179.4	-66.3	-173.5	-51.3	0	0	112.5	R453 Y454 F455 K459 R460 T508	R453-Q457 HydrophobicContact CG-CG 3.97Å; R453-Q457 VanDerWaalsContact NE-CD 3.26Å; R453-Q457 WeakPolarHBondContact O-CB 3.33Å; R453-Q457 WeakPolarHBondContact O-CG 3.31Å; R453-Q457 PolarHBondContact O-N 2.9Å; Y454-Q457 PolarHBondContact O-N 3.19Å; F455-Q457 VanDerWaalsContact C-N 3.28Å; F455-Q457 PolarHBondContact O-N 3.46Å; Q457-K459 VanDerWaalsContact C-N 3.32Å; Q457-K459 PolarHBondContact O-N 2.8Å; Q457-R460 PolarHBondContact O-N 3.14Å; Q457-R460 PolarHBondContact OE1-O 3.33Å; Q457-T508 VanDerWaalsContact NE2-CG2 3.3Å; Q457-T508 PolarHBondContact NE2-OG1 3.49Å
458	N	92.8	Very high	95.4	Very high	154 Å²	154	34.3 Å²	34.3	82%	0.824	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	47.2	179.1	-61.8	-39.2	0	0	0	113.1
459	K	95	Very high	95.5	Very high	98 Å²	98	31.4 Å²	31.4	43%	0.426	16%	0.164	S	C	.	.	S	Bend	trans	64	39.3	176.5	-60.1	-179.3	176.5	-170.6	0	113.8	Q419 D423 Y454 Q457	Q419-K459 PolarHBondContact NE2-O 3.06Å; D423-K459 WeakPolarHBondContact OD1-CD 3.47Å; D423-K459 IonicContact OD1-NZ 2.75Å; D423-K459 WeakPolarHBondContact OD2-CE 3.37Å; D423-K459 IonicContact OD2-NZ 3.38Å; D423-K459 PolarHBondContact OD2-NZ 2.97Å; Y454-K459 VanDerWaalsContact CD2-C 3.44Å; Y454-K459 HydrophobicContact CE1-CB 3.9Å; Y454-K459 HydrophobicContact CE1-CG 3.82Å; Y454-K459 VanDerWaalsContact CE2-CA 3.44Å; Y454-K459 HydrophobicContact CE2-CB 3.84Å; Y454-K459 WeakPolarHBondContact CE2-O 3.44Å; Y454-K459 VanDerWaalsContact CZ-CB 3.47Å; Y454-K459 WeakPolarHBondContact O-CA 3.34Å; Y454-K459 PolarHBondContact O-N 3.03Å; Y454-K459 WeakPolarHBondContact OH-CB 3.42Å; Q457-K459 VanDerWaalsContact C-N 3.32Å; Q457-K459 PolarHBondContact O-N 2.8Å
460	R	92.8	Very high	95.5	Very high	83 Å²	83	29.9 Å²	29.9	31%	0.313	16%	0.159	S	C	.	.			trans	-127.8	143.2	176.5	-175.6	-178.7	167.5	105.2	-9.7	111.6	Q457 E498	Q457-R460 PolarHBondContact O-N 3.14Å; Q457-R460 PolarHBondContact OE1-O 3.33Å; R460-E498 IonicContact CZ-OE1 2.72Å; R460-E498 IonicContact NH1-OE1 3.33Å; R460-E498 PolarHBondContact NH1-OE1 3.03Å; R460-E498 IonicContact NH2-OE1 3.72Å; R460-E498 PolarHBondContact NH2-OE1 3.09Å; R460-E498 IonicContact NH2-OE2 2.66Å
461	L	95.8	Very high	95.3	Very high	7 Å²	7	30 Å²	30	4%	0.037	16%	0.16	C	C	.	.			trans	-132.9	146.2	162.3	-68.6	174.8	0	0	0	108.7	Y390 L397 K450 R453 Y454 P464	Y390-L461 HydrophobicContact CE2-CD1 4.29Å; L397-L461 HydrophobicContact CD1-CB 4.35Å; L397-L461 HydrophobicContact CD1-CD1 4.19Å; K450-L461 HydrophobicContact CB-CD1 4.2Å; K450-L461 HydrophobicContact CD-CD2 4.14Å; R453-L461 HydrophobicContact CB-CD2 4.26Å; R453-L461 HydrophobicContact CG-CD2 4.01Å; Y454-L461 HydrophobicContact CD2-CD1 4.49Å; Y454-L461 HydrophobicContact CD2-CG 4.15Å; L461-P464 HydrophobicContact CB-CB 4.18Å; L461-P464 HydrophobicContact CB-CG 4.19Å; L461-P464 HydrophobicContact CD1-CB 4.35Å
462	T	96	Very high	94.8	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.018	17%	0.169	C	C	.	.	S	Bend	trans	-88.5	116.1	179.6	-59.5	0	0	0	0	110.3	K495 L499 D512 L515	T462-K495 HydrophobicContact CG2-CD 4.12Å; T462-K495 HydrophobicContact CG2-CG 3.95Å; T462-L499 HydrophobicContact CG2-CD1 4.31Å; T462-D512 HydrophobicContact CG2-CB 4.17Å; T462-D512 VanDerWaalsContact OG1-CB 3.29Å; T462-D512 WeakPolarHBondContact OG1-CB 3.31Å; T462-D512 PolarHBondContact OG1-OD1 3.38Å; T462-L515 WeakPolarHBondContact O-CD2 3.11Å
463	L	97.3	Very high	94.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	47.1	48.3	174.6	-57.8	176.1	0	0	0	114.7	A465 L466 E467 I491 K495 A516 L519	L463-A465 VanDerWaalsContact C-N 3.27Å; L463-A465 PolarHBondContact O-N 3.25Å; L463-L466 HydrophobicContact CB-CB 4.3Å; L463-L466 HydrophobicContact CD1-CD2 4.46Å; L463-L466 PolarHBondContact O-N 3.05Å; L463-E467 PolarHBondContact O-N 3.46Å; L463-I491 HydrophobicContact CD2-CG2 3.68Å; L463-K495 HydrophobicContact CD1-CB 4Å; L463-K495 HydrophobicContact CD1-CG 3.95Å; L463-K495 HydrophobicContact CD2-CB 4.11Å; L463-K495 HydrophobicContact CD2-CG 4.22Å; L463-K495 HydrophobicContact CG-CB 4.2Å; L463-K495 HydrophobicContact CG-CG 3.91Å; L463-A516 HydrophobicContact CD1-CB 3.95Å; L463-L519 HydrophobicContact CB-CD1 3.82Å; L463-L519 HydrophobicContact CD1-CD1 3.83Å; L463-L519 HydrophobicContact CG-CD1 4.5Å
464	P	97.1	Very high	94.3	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-63	-31.3	-170.9	27.6	-36.1	0	0	0	113.3	A394 L397 L461 L468	A394-P464 HydrophobicContact CB-CB 3.84Å; A394-P464 HydrophobicContact CB-CG 4.29Å; L397-P464 HydrophobicContact CB-CG 3.93Å; L397-P464 HydrophobicContact CD1-CG 4.13Å; L461-P464 HydrophobicContact CB-CB 4.18Å; L461-P464 HydrophobicContact CB-CG 4.19Å; L461-P464 HydrophobicContact CD1-CB 4.35Å; P464-L468 WeakPolarHBondContact O-CG 3.28Å; P464-L468 PolarHBondContact O-N 2.69Å; P464-L468 VanDerWaalsContact O-N 3.07Å
465	A	97.8	Very high	94	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-68.1	-45.9	176	0	0	0	0	0	112.1	W367 F395 Q398 L463 E467 L468 I469	W367-A465 HydrophobicContact CE3-CB 4.35Å; W367-A465 HydrophobicContact CH2-CB 3.96Å; W367-A465 HydrophobicContact CZ3-CB 3.8Å; F395-A465 HydrophobicContact CD1-CB 3.8Å; F395-A465 HydrophobicContact CE1-CB 4.23Å; Q398-A465 HydrophobicContact CB-CB 3.66Å; Q398-A465 HydrophobicContact CG-CB 3.94Å; L463-A465 VanDerWaalsContact C-N 3.27Å; L463-A465 PolarHBondContact O-N 3.25Å; A465-E467 VanDerWaalsContact C-N 3.34Å; A465-L468 WeakPolarHBondContact O-CB 3.2Å; A465-L468 PolarHBondContact O-N 3.07Å; A465-I469 WeakPolarHBondContact O-CG1 3.46Å; A465-I469 PolarHBondContact O-N 3.17Å
466	L	98.1	Very high	93.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-69.5	-34.5	177.8	-78.1	64.7	0	0	0	111.2	W367 Q398 L463 L468 I469 F470 F475 F488 I491 L519	W367-L466 HydrophobicContact CH2-CD1 4.14Å; W367-L466 HydrophobicContact CZ2-CD1 4.29Å; Q398-L466 HydrophobicContact CG-CD1 4.47Å; L463-L466 HydrophobicContact CB-CB 4.3Å; L463-L466 HydrophobicContact CD1-CD2 4.46Å; L463-L466 PolarHBondContact O-N 3.05Å; L466-L468 VanDerWaalsContact C-N 3.31Å; L466-L468 PolarHBondContact O-N 3.44Å; L466-I469 PolarHBondContact O-N 3.23Å; L466-F470 WeakPolarHBondContact O-CB 3.39Å; L466-F470 PolarHBondContact O-N 3.49Å; L466-F475 HydrophobicContact CB-CZ 4.2Å; L466-F475 HydrophobicContact CG-CZ 4.31Å; L466-F488 HydrophobicContact CD1-CD1 4.1Å; L466-F488 HydrophobicContact CD1-CE1 4.1Å; L466-F488 HydrophobicContact CD2-CD1 3.95Å; L466-F488 HydrophobicContact CG-CD1 3.85Å; L466-F488 HydrophobicContact CG-CE1 4.16Å; L466-I491 HydrophobicContact CD1-CG2 4.36Å; L466-I491 HydrophobicContact CD2-CB 4.38Å; L466-I491 HydrophobicContact CD2-CG2 3.88Å; L466-L519 HydrophobicContact CB-CD1 3.72Å; L466-L519 HydrophobicContact CB-CD2 4.27Å; L466-L519 HydrophobicContact CB-CG 4.5Å; L466-L519 WeakPolarHBondContact O-CD2 3.43Å
467	E	96.7	Very high	93.3	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-60.3	-41.7	171.5	-172.9	-175.1	-174.6	0	0	111.2	K450 L463 A465 F470 I471 L515 Y552	K450-E467 WeakPolarHBondContact CE-OE1 3.41Å; K450-E467 WeakPolarHBondContact CE-OE2 3.33Å; K450-E467 IonicContact NZ-OE1 2.71Å; K450-E467 PolarHBondContact NZ-OE1 2.87Å; K450-E467 IonicContact NZ-OE2 2.76Å; K450-E467 PolarHBondContact NZ-OE2 2.84Å; L463-E467 PolarHBondContact O-N 3.46Å; A465-E467 VanDerWaalsContact C-N 3.34Å; E467-F470 WeakPolarHBondContact O-CB 3.1Å; E467-F470 PolarHBondContact O-N 2.94Å; E467-I471 HydrophobicContact CG-CD1 3.91Å; E467-I471 WeakPolarHBondContact O-CB 3.48Å; E467-I471 WeakPolarHBondContact O-CD1 3.19Å; E467-I471 WeakPolarHBondContact O-CG1 3.29Å; E467-I471 PolarHBondContact O-N 3.23Å; E467-L515 HydrophobicContact CB-CD1 4.32Å; E467-L515 HydrophobicContact CB-CD2 4.5Å; E467-L515 HydrophobicContact CG-CD1 3.99Å; E467-L515 HydrophobicContact CG-CD2 4.42Å; E467-Y552 PolarHBondContact OE1-OH 3.38Å
468	L	95.9	Very high	93.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.4	-47	172.9	-79.9	172.7	0	0	0	111.9	W359 Y390 M391 A394 I443 P464 A465 L466 F470 I471 W472	W359-L468 HydrophobicContact CH2-CB 4.27Å; W359-L468 HydrophobicContact CZ3-CB 4.38Å; Y390-L468 HydrophobicContact CD1-CD1 4.41Å; Y390-L468 HydrophobicContact CD1-CD2 4.12Å; Y390-L468 HydrophobicContact CE1-CD1 4.15Å; Y390-L468 HydrophobicContact CE1-CD2 3.75Å; Y390-L468 HydrophobicContact CE1-CG 4.03Å; M391-L468 HydrophobicContact CB-CD1 4.46Å; M391-L468 HydrophobicContact CG-CD1 4.05Å; A394-L468 HydrophobicContact CB-CD1 3.5Å; I443-L468 HydrophobicContact CD1-CD2 4.03Å; P464-L468 WeakPolarHBondContact O-CG 3.28Å; P464-L468 PolarHBondContact O-N 2.69Å; P464-L468 VanDerWaalsContact O-N 3.07Å; A465-L468 WeakPolarHBondContact O-CB 3.2Å; A465-L468 PolarHBondContact O-N 3.07Å; L466-L468 VanDerWaalsContact C-N 3.31Å; L466-L468 PolarHBondContact O-N 3.44Å; L468-F470 VanDerWaalsContact C-N 3.29Å; L468-F470 PolarHBondContact O-N 3.03Å; L468-I471 PolarHBondContact O-N 2.69Å; L468-W472 VanDerWaalsContact O-CD1 3.25Å; L468-W472 PolarHBondContact O-N 2.88Å
469	I	95.5	Very high	92.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-57.3	-44.3	176.3	-65.9	169.3	0	0	0	110.4	W359 A362 L363 W367 A465 L466 W472 N473 G474 F475 F488	W359-I469 HydrophobicContact CZ3-CG1 4.45Å; A362-I469 HydrophobicContact CB-CD1 4.39Å; L363-I469 HydrophobicContact CD2-CG2 3.78Å; W367-I469 HydrophobicContact CH2-CD1 4.32Å; A465-I469 WeakPolarHBondContact O-CG1 3.46Å; A465-I469 PolarHBondContact O-N 3.17Å; L466-I469 PolarHBondContact O-N 3.23Å; I469-W472 CarbonylContact O-C 3.49Å; I469-W472 PolarHBondContact O-N 3.3Å; I469-N473 PolarHBondContact O-N 3.06Å; I469-G474 PolarHBondContact O-N 3.25Å; I469-F475 HydrophobicContact CB-CE2 4.11Å; I469-F475 HydrophobicContact CB-CZ 4.08Å; I469-F475 HydrophobicContact CG2-CD1 3.97Å; I469-F475 HydrophobicContact CG2-CD2 3.85Å; I469-F475 HydrophobicContact CG2-CE1 3.86Å; I469-F475 HydrophobicContact CG2-CE2 3.74Å; I469-F475 HydrophobicContact CG2-CG 3.96Å; I469-F475 HydrophobicContact CG2-CZ 3.75Å; I469-F488 HydrophobicContact CD1-CE1 4.18Å; I469-F488 HydrophobicContact CD1-CZ 3.96Å
470	F	93.8	Very high	92.2	Very high	10 Å²	10	15.8 Å²	15.8	4%	0.044	8%	0.077	C	C	.	.	H	α-helix	trans	-60.8	-49.2	175.4	170.5	-110.9	0	0	0	112.3	L466 E467 L468 W472 N473 F475 M518 L519 V522 Y552 Y556	L466-F470 WeakPolarHBondContact O-CB 3.39Å; L466-F470 PolarHBondContact O-N 3.49Å; E467-F470 WeakPolarHBondContact O-CB 3.1Å; E467-F470 PolarHBondContact O-N 2.94Å; L468-F470 VanDerWaalsContact C-N 3.29Å; L468-F470 PolarHBondContact O-N 3.03Å; F470-W472 PolarHBondContact O-N 3.43Å; F470-N473 PolarHBondContact O-N 3.1Å; F470-F475 HydrophobicContact CB-CD2 4.25Å; F470-F475 HydrophobicContact CB-CE2 3.86Å; F470-M518 HydrophobicContact CE1-CE 4.35Å; F470-M518 HydrophobicContact CE2-CE 3.84Å; F470-M518 HydrophobicContact CE2-CG 4.5Å; F470-M518 HydrophobicContact CZ-CE 3.42Å; F470-M518 VanDerWaalsContact CZ-CE 3.42Å; F470-M518 HydrophobicContact CZ-CG 4.24Å; F470-L519 HydrophobicContact CB-CD2 3.5Å; F470-L519 HydrophobicContact CG-CD2 4.11Å; F470-V522 HydrophobicContact CD2-CG1 4.48Å; F470-V522 HydrophobicContact CD2-CG2 3.93Å; F470-V522 HydrophobicContact CE2-CG2 3.75Å; F470-Y552 HydrophobicContact CE1-CE2 4.38Å; F470-Y556 AromaticContact CE1-CD1 3.87Å; F470-Y556 HydrophobicContact CE1-CD1 3.87Å; F470-Y556 HydrophobicContact CE1-CE1 4.29Å; F470-Y556 HydrophobicContact CE1-CG 4.43Å; F470-Y556 AromaticContact CZ-CD1 3.5Å; F470-Y556 HydrophobicContact CZ-CD1 3.5Å; F470-Y556 VanDerWaalsContact CZ-CD1 3.5Å; F470-Y556 HydrophobicContact CZ-CE1 4.21Å; F470-Y556 HydrophobicContact CZ-CG 4.17Å
471	I	90.4	Very high	92	Very high	7 Å²	7	15.4 Å²	15.4	4%	0.036	8%	0.079	C	C	.	.	H	α-helix	trans	-56.2	-40.9	179.2	-71.3	161.7	0	0	0	109.8	I446 E467 L468 N473 L589 R592	I446-I471 HydrophobicContact CD1-CD1 3.81Å; I446-I471 HydrophobicContact CD1-CG2 4.09Å; I446-I471 HydrophobicContact CG2-CD1 4.38Å; E467-I471 HydrophobicContact CG-CD1 3.91Å; E467-I471 WeakPolarHBondContact O-CB 3.48Å; E467-I471 WeakPolarHBondContact O-CD1 3.19Å; E467-I471 WeakPolarHBondContact O-CG1 3.29Å; E467-I471 PolarHBondContact O-N 3.23Å; L468-I471 PolarHBondContact O-N 2.69Å; I471-N473 VanDerWaalsContact C-N 3.27Å; I471-N473 PolarHBondContact O-N 3.46Å; I471-L589 HydrophobicContact CD1-CD1 4.13Å; I471-L589 HydrophobicContact CG1-CD1 3.84Å; I471-L589 HydrophobicContact CG2-CD1 4.49Å; I471-L589 HydrophobicContact CG2-CD2 4.48Å; I471-R592 PolarHBondContact O-NE 2.94Å; I471-R592 PolarHBondContact O-NH2 3.36Å
472	W	87.7	Confident	91.6	Very high	58 Å²	58	18.6 Å²	18.6	22%	0.22	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	10.4	179.7	-72.7	100	0	0	0	115.1	H278 W355 W359 I443 L468 I469 F470 G474	H278-W472 PolarHBondContact NE2-O 3.05Å; W355-W472 AromaticContact CH2-CH2 4Å; W355-W472 HydrophobicContact CH2-CH2 4Å; W355-W472 AromaticContact CH2-CZ2 3.67Å; W355-W472 HydrophobicContact CH2-CZ2 3.67Å; W355-W472 HydrophobicContact CZ2-CD2 4.5Å; W355-W472 HydrophobicContact CZ2-CE3 4.48Å; W355-W472 AromaticContact CZ2-CH2 3.64Å; W355-W472 HydrophobicContact CZ2-CH2 3.64Å; W355-W472 AromaticContact CZ2-CZ2 3.64Å; W355-W472 HydrophobicContact CZ2-CZ2 3.64Å; W355-W472 HydrophobicContact CZ2-CZ3 4.08Å; W359-W472 HydrophobicContact CH2-CB 4.25Å; W359-W472 AromaticContact CH2-CD1 3.12Å; W359-W472 AromaticContact CH2-CG 3.75Å; W359-W472 HydrophobicContact CH2-CG 3.75Å; W359-W472 AromaticContact CH2-NE1 3.63Å; W359-W472 HydrophobicContact CZ2-CB 4.38Å; W359-W472 AromaticContact CZ2-CD1 3.35Å; W359-W472 HydrophobicContact CZ2-CD2 4.1Å; W359-W472 AromaticContact CZ2-CG 3.7Å; W359-W472 HydrophobicContact CZ2-CG 3.7Å; W359-W472 AromaticContact CZ2-NE1 3.52Å; W359-W472 HydrophobicContact CZ3-CB 4.42Å; W359-W472 AromaticContact CZ3-CD1 3.99Å; W359-W472 HydrophobicContact CZ3-CG 4.39Å; I443-W472 HydrophobicContact CG1-CZ2 4.48Å; L468-W472 VanDerWaalsContact O-CD1 3.25Å; L468-W472 PolarHBondContact O-N 2.88Å; I469-W472 CarbonylContact O-C 3.49Å; I469-W472 PolarHBondContact O-N 3.3Å; F470-W472 PolarHBondContact O-N 3.43Å; W472-G474 PolarHBondContact O-N 3.06Å
473	N	87.6	Confident	91.5	Very high	17 Å²	17	25 Å²	25	9%	0.091	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	27.5	-177.5	-169.2	36.5	0	0	0	112.4	H278 I469 F470 I471 K476	H278-N473 PolarHBondContact CE1-O 2.96Å; H278-N473 PolarHBondContact NE2-O 3.42Å; H278-N473 PolarHBondContact O-ND2 2.7Å; I469-N473 PolarHBondContact O-N 3.06Å; F470-N473 PolarHBondContact O-N 3.1Å; I471-N473 VanDerWaalsContact C-N 3.27Å; I471-N473 PolarHBondContact O-N 3.46Å; N473-K476 WeakPolarHBondContact OD1-CD 3.12Å; N473-K476 VanDerWaalsContact OD1-CE 3.31Å; N473-K476 WeakPolarHBondContact OD1-CE 3.47Å; N473-K476 WeakPolarHBondContact OD1-CG 3.2Å
474	G	91.3	Very high	91.2	Very high	3 Å²	3	26.3 Å²	26.3	3%	0.031	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-71.3	-30.7	-171.7	0	0	0	0	0	114.1	L363 I469 W472 K476 M477	L363-G474 WeakPolarHBondContact CD2-O 3.35Å; I469-G474 PolarHBondContact O-N 3.25Å; W472-G474 PolarHBondContact O-N 3.06Å; G474-K476 PolarHBondContact O-N 3.04Å; G474-K476 VanDerWaalsContact O-N 3.13Å; G474-M477 WeakPolarHBondContact O-CB 3.38Å; G474-M477 PolarHBondContact O-N 2.69Å
475	F	91.4	Very high	91.1	Very high	3 Å²	3	26.3 Å²	26.3	1%	0.013	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-58.7	-30	-178.9	-70.4	-66	0	0	0	113.7	L466 I469 F470 M477 I478 F488 L519 V522 C523	L466-F475 HydrophobicContact CB-CZ 4.2Å; L466-F475 HydrophobicContact CG-CZ 4.31Å; I469-F475 HydrophobicContact CB-CE2 4.11Å; I469-F475 HydrophobicContact CB-CZ 4.08Å; I469-F475 HydrophobicContact CG2-CD1 3.97Å; I469-F475 HydrophobicContact CG2-CD2 3.85Å; I469-F475 HydrophobicContact CG2-CE1 3.86Å; I469-F475 HydrophobicContact CG2-CE2 3.74Å; I469-F475 HydrophobicContact CG2-CG 3.96Å; I469-F475 HydrophobicContact CG2-CZ 3.75Å; F470-F475 HydrophobicContact CB-CD2 4.25Å; F470-F475 HydrophobicContact CB-CE2 3.86Å; F475-M477 VanDerWaalsContact C-N 3.27Å; F475-M477 PolarHBondContact O-N 3.1Å; F475-I478 HydrophobicContact CD1-CD1 4.34Å; F475-I478 VanDerWaalsContact O-CG1 3.28Å; F475-I478 WeakPolarHBondContact O-CG1 3.21Å; F475-I478 PolarHBondContact O-N 3.08Å; F475-F488 HydrophobicContact CD1-CD2 4.34Å; F475-F488 HydrophobicContact CE1-CB 4.18Å; F475-F488 HydrophobicContact CE1-CD1 4.38Å; F475-F488 AromaticContact CE1-CD2 3.89Å; F475-F488 HydrophobicContact CE1-CD2 3.89Å; F475-F488 HydrophobicContact CE1-CE2 4.38Å; F475-F488 AromaticContact CE1-CG 3.9Å; F475-F488 HydrophobicContact CE1-CG 3.9Å; F475-L519 HydrophobicContact CE2-CD2 3.97Å; F475-L519 HydrophobicContact CZ-CD2 4.42Å; F475-V522 HydrophobicContact CB-CG1 3.9Å; F475-V522 HydrophobicContact CD2-CG1 3.86Å; F475-V522 HydrophobicContact CG-CG1 4.12Å; F475-C523 VanDerWaalsContact CE1-SG 3.55Å
476	K	86.4	Confident	91	Very high	12 Å²	12	28.2 Å²	28.2	5%	0.052	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-64.2	-30.7	175.7	-66.8	-167.5	-174.4	-170.8	0	112.8	G281 N473 G474 I478 Q479	G281-K476 PolarHBondContact O-NZ 3.48Å; N473-K476 WeakPolarHBondContact OD1-CD 3.12Å; N473-K476 VanDerWaalsContact OD1-CE 3.31Å; N473-K476 WeakPolarHBondContact OD1-CE 3.47Å; N473-K476 WeakPolarHBondContact OD1-CG 3.2Å; G474-K476 PolarHBondContact O-N 3.04Å; G474-K476 VanDerWaalsContact O-N 3.13Å; K476-I478 PolarHBondContact O-N 2.96Å; K476-Q479 VanDerWaalsContact O-CG 3.25Å; K476-Q479 WeakPolarHBondContact O-CG 3.44Å; K476-Q479 PolarHBondContact O-N 3.48Å
477	M	87.8	Confident	90.9	Very high	8 Å²	8	30.3 Å²	30.3	4%	0.039	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-68.4	-24.8	-178.8	-63.8	159.3	152.9	0	0	112.4	H278 R321 E324 I325 G327 L363 G474 F475	H278-M477 VanDerWaalsContact CE1-CE 3.48Å; H278-M477 WeakPolarHBondContact CE1-CE 3.38Å; H278-M477 VanDerWaalsContact NE2-CE 3.31Å; H278-M477 WeakPolarHBondContact NE2-CE 3.48Å; R321-M477 VanDerWaalsContact CZ-CE 3.43Å; R321-M477 VanDerWaalsContact NH1-CE 3.3Å; E324-M477 HydrophobicContact CG-SD 4.47Å; I325-M477 HydrophobicContact CG2-CE 3.77Å; G327-M477 WeakPolarHBondContact CA-O 3.4Å; L363-M477 HydrophobicContact CD1-CB 4.11Å; L363-M477 HydrophobicContact CD1-SD 3.94Å; G474-M477 WeakPolarHBondContact O-CB 3.38Å; G474-M477 PolarHBondContact O-N 2.69Å; F475-M477 VanDerWaalsContact C-N 3.27Å; F475-M477 PolarHBondContact O-N 3.1Å
478	I	87.8	Confident	90.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-105.7	14	-179.9	57.3	165.4	0	0	0	113	L329 L363 F475 K476 S480 Q481 A484 I485 F488	L329-I478 HydrophobicContact CD1-CG2 3.88Å; L363-I478 HydrophobicContact CB-CG2 3.87Å; L363-I478 HydrophobicContact CD1-CG2 4.25Å; L363-I478 HydrophobicContact CD2-CD1 4.21Å; L363-I478 HydrophobicContact CD2-CG1 4.28Å; L363-I478 HydrophobicContact CD2-CG2 4.1Å; L363-I478 HydrophobicContact CG-CG2 4.29Å; F475-I478 HydrophobicContact CD1-CD1 4.34Å; F475-I478 VanDerWaalsContact O-CG1 3.28Å; F475-I478 WeakPolarHBondContact O-CG1 3.21Å; F475-I478 PolarHBondContact O-N 3.08Å; K476-I478 PolarHBondContact O-N 2.96Å; I478-S480 PolarHBondContact O-N 2.72Å; I478-Q481 HydrophobicContact CB-CB 4.2Å; I478-Q481 WeakPolarHBondContact O-CA 3.43Å; I478-Q481 WeakPolarHBondContact O-CB 3.39Å; I478-Q481 PolarHBondContact O-N 3.49Å; I478-A484 HydrophobicContact CD1-CB 4.24Å; I478-I485 HydrophobicContact CD1-CD1 3.71Å; I478-I485 HydrophobicContact CD1-CG1 4.23Å; I478-I485 HydrophobicContact CG1-CD1 3.68Å; I478-I485 HydrophobicContact CG1-CG1 4.19Å; I478-I485 WeakPolarHBondContact O-CG1 3.14Å; I478-F488 HydrophobicContact CD1-CD2 3.63Å; I478-F488 HydrophobicContact CD1-CE2 3.49Å; I478-F488 VanDerWaalsContact CD1-CE2 3.49Å
479	Q	86	Confident	90.9	Very high	54 Å²	54	30.8 Å²	30.8	25%	0.252	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.1	177.6	72.6	175.6	36.4	0	0	112.8	V285 K476 Q481 C526	V285-Q479 PolarHBondContact O-NE2 3.4Å; K476-Q479 VanDerWaalsContact O-CG 3.25Å; K476-Q479 WeakPolarHBondContact O-CG 3.44Å; K476-Q479 PolarHBondContact O-N 3.48Å; Q479-Q481 VanDerWaalsContact C-N 3.26Å; Q479-Q481 PolarHBondContact O-N 3.06Å; Q479-C526 HydrophobicContact CB-CB 4.16Å
480	S	83.5	Confident	91	Very high	65 Å²	65	35.8 Å²	35.8	46%	0.455	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-0.2	174.5	55	0	0	0	0	113.4	S326 I478 P482	S326-S480 PolarHBondContact O-OG 2.93Å; I478-S480 PolarHBondContact O-N 2.72Å; S480-P482 VanDerWaalsContact O-CD 3.3Å; S480-P482 WeakPolarHBondContact O-CD 3.4Å
481	Q	87.9	Confident	91.2	Very high	75 Å²	75	36.5 Å²	36.5	35%	0.35	21%	0.205	S	C	.	.			trans	-114.8	80.4	-179.1	-61.3	-65.7	-20.9	0	0	109.8	G327 I478 Q479 D483 A484 I485	G327-Q481 PolarHBondContact O-NE2 3.22Å; I478-Q481 HydrophobicContact CB-CB 4.2Å; I478-Q481 WeakPolarHBondContact O-CA 3.43Å; I478-Q481 WeakPolarHBondContact O-CB 3.39Å; I478-Q481 PolarHBondContact O-N 3.49Å; Q479-Q481 VanDerWaalsContact C-N 3.26Å; Q479-Q481 PolarHBondContact O-N 3.06Å; Q481-D483 VanDerWaalsContact C-N 3.27Å; Q481-D483 PolarHBondContact O-N 3.32Å; Q481-A484 HydrophobicContact CB-CB 4.01Å; Q481-A484 PolarHBondContact O-N 3.45Å; Q481-I485 PolarHBondContact O-N 2.89Å; Q481-I485 VanDerWaalsContact O-N 3.17Å
482	P	88.4	Confident	91.6	Very high	74 Å²	74	36.2 Å²	36.2	48%	0.481	20%	0.203	S	C	.	.	H	α-helix	trans	-61.4	-32.2	-170.8	23.6	-34.3	0	0	0	113.7	S480 T486	S480-P482 VanDerWaalsContact O-CD 3.3Å; S480-P482 WeakPolarHBondContact O-CD 3.4Å; P482-T486 WeakPolarHBondContact O-CB 3.35Å; P482-T486 PolarHBondContact O-N 3.03Å; P482-T486 PolarHBondContact O-OG1 2.89Å
483	D	92.4	Very high	92	Very high	138 Å²	138	37 Å²	37	74%	0.738	21%	0.209	S	C	*	.	H	α-helix	trans	-68.4	-42.7	178.5	-64.6	-25.3	0	0	0	111.5	Q481 T486 A487	Q481-D483 VanDerWaalsContact C-N 3.27Å; Q481-D483 PolarHBondContact O-N 3.32Å; D483-T486 PolarHBondContact O-N 3.27Å; D483-A487 PolarHBondContact O-N 3.38Å
484	A	92.8	Very high	92.5	Very high	26 Å²	26	41.2 Å²	41.2	22%	0.215	23%	0.232	C	C	.	.	H	α-helix	trans	-64.1	-45.4	177.4	0	0	0	0	0	111.4	I478 Q481 T486 A487 F488	I478-A484 HydrophobicContact CD1-CB 4.24Å; Q481-A484 HydrophobicContact CB-CB 4.01Å; Q481-A484 PolarHBondContact O-N 3.45Å; A484-T486 VanDerWaalsContact C-N 3.31Å; A484-T486 PolarHBondContact O-N 3.28Å; A484-A487 PolarHBondContact O-N 2.96Å; A484-F488 VanDerWaalsContact O-CD2 3.24Å; A484-F488 WeakPolarHBondContact O-CD2 3.31Å; A484-F488 PolarHBondContact O-N 3.1Å; A484-F488 VanDerWaalsContact O-N 3.13Å
485	I	93.8	Very high	92.7	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-60.9	-41.8	174.6	-70.5	-69.4	0	0	0	111.2	I478 Q481 A487 F488 I489 C523 C526 R527	I478-I485 HydrophobicContact CD1-CD1 3.71Å; I478-I485 HydrophobicContact CD1-CG1 4.23Å; I478-I485 HydrophobicContact CG1-CD1 3.68Å; I478-I485 HydrophobicContact CG1-CG1 4.19Å; I478-I485 WeakPolarHBondContact O-CG1 3.14Å; Q481-I485 PolarHBondContact O-N 2.89Å; Q481-I485 VanDerWaalsContact O-N 3.17Å; I485-A487 VanDerWaalsContact C-N 3.35Å; I485-A487 PolarHBondContact O-N 3.48Å; I485-F488 PolarHBondContact O-N 2.89Å; I485-I489 HydrophobicContact CG2-CD1 3.88Å; I485-I489 HydrophobicContact CG2-CG1 4.46Å; I485-I489 WeakPolarHBondContact O-CG1 3.49Å; I485-I489 PolarHBondContact O-N 3.41Å; I485-C523 HydrophobicContact CG2-CB 4.29Å; I485-C523 WeakPolarHBondContact CG2-O 3.24Å; I485-C526 HydrophobicContact CD1-CB 3.82Å; I485-R527 HydrophobicContact CG2-CB 3.94Å; I485-R527 HydrophobicContact CG2-CG 4.35Å
486	T	95.4	Very high	93	Very high	40 Å²	40	41.6 Å²	41.6	25%	0.245	23%	0.233	C	C	.	.	H	α-helix	trans	-62.7	-42.2	178.2	-61	0	0	0	0	111.4	P482 D483 A484 F488 I489 M490 R527	P482-T486 WeakPolarHBondContact O-CB 3.35Å; P482-T486 PolarHBondContact O-N 3.03Å; P482-T486 PolarHBondContact O-OG1 2.89Å; D483-T486 PolarHBondContact O-N 3.27Å; A484-T486 VanDerWaalsContact C-N 3.31Å; A484-T486 PolarHBondContact O-N 3.28Å; T486-F488 VanDerWaalsContact C-N 3.35Å; T486-F488 PolarHBondContact O-N 3.24Å; T486-I489 PolarHBondContact O-N 2.96Å; T486-M490 HydrophobicContact CG2-SD 4.46Å; T486-M490 WeakPolarHBondContact O-CG 3.39Å; T486-M490 PolarHBondContact O-N 3.19Å; T486-R527 PolarHBondContact OG1-NH1 2.67Å
487	A	95.6	Very high	93.5	Very high	45 Å²	45	45.5 Å²	45.5	37%	0.372	25%	0.254	S	S	.	.	H	α-helix	trans	-58.9	-44.4	175.1	0	0	0	0	0	111.9	D483 A484 I485 I489 M490 I491	D483-A487 PolarHBondContact O-N 3.38Å; A484-A487 PolarHBondContact O-N 2.96Å; I485-A487 VanDerWaalsContact C-N 3.35Å; I485-A487 PolarHBondContact O-N 3.48Å; A487-I489 PolarHBondContact O-N 3.24Å; A487-M490 PolarHBondContact O-N 3.42Å; A487-I491 WeakPolarHBondContact O-CG1 3.37Å; A487-I491 PolarHBondContact O-N 3.03Å
488	F	97	Very high	93.8	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.009	27%	0.265	C	S	.	.	H	α-helix	trans	-66.3	-36.4	176.6	-72.7	-55.3	0	0	0	113.7	L363 A365 W367 L466 I469 F475 I478 A484 I485 T486 M490 I491 C492	L363-F488 WeakPolarHBondContact O-CE2 3.4Å; A365-F488 HydrophobicContact CB-CE1 4.47Å; A365-F488 HydrophobicContact CB-CZ 4.5Å; W367-F488 HydrophobicContact CH2-CE1 4.02Å; W367-F488 HydrophobicContact CZ2-CE1 4.28Å; L466-F488 HydrophobicContact CD1-CD1 4.1Å; L466-F488 HydrophobicContact CD1-CE1 4.1Å; L466-F488 HydrophobicContact CD2-CD1 3.95Å; L466-F488 HydrophobicContact CG-CD1 3.85Å; L466-F488 HydrophobicContact CG-CE1 4.16Å; I469-F488 HydrophobicContact CD1-CE1 4.18Å; I469-F488 HydrophobicContact CD1-CZ 3.96Å; F475-F488 HydrophobicContact CD1-CD2 4.34Å; F475-F488 HydrophobicContact CE1-CB 4.18Å; F475-F488 HydrophobicContact CE1-CD1 4.38Å; F475-F488 AromaticContact CE1-CD2 3.89Å; F475-F488 HydrophobicContact CE1-CD2 3.89Å; F475-F488 HydrophobicContact CE1-CE2 4.38Å; F475-F488 AromaticContact CE1-CG 3.9Å; F475-F488 HydrophobicContact CE1-CG 3.9Å; I478-F488 HydrophobicContact CD1-CD2 3.63Å; I478-F488 HydrophobicContact CD1-CE2 3.49Å; I478-F488 VanDerWaalsContact CD1-CE2 3.49Å; A484-F488 VanDerWaalsContact O-CD2 3.24Å; A484-F488 WeakPolarHBondContact O-CD2 3.31Å; A484-F488 PolarHBondContact O-N 3.1Å; A484-F488 VanDerWaalsContact O-N 3.13Å; I485-F488 PolarHBondContact O-N 2.89Å; T486-F488 VanDerWaalsContact C-N 3.35Å; T486-F488 PolarHBondContact O-N 3.24Å; F488-M490 VanDerWaalsContact C-N 3.33Å; F488-I491 HydrophobicContact CD1-CD1 4.07Å; F488-I491 HydrophobicContact CE1-CD1 4.49Å; F488-I491 PolarHBondContact O-N 3.06Å; F488-C492 PolarHBondContact O-N 3.43Å; F488-C492 PolarHBondContact O-SG 2.96Å
489	I	97.6	Very high	94.2	Very high	8 Å²	8	48.2 Å²	48.2	4%	0.041	27%	0.267	C	S	.	.	H	α-helix	trans	-60.2	-45.8	173	-68.4	165.8	0	0	0	109.9	I485 T486 A487 I491 C492 E493 C523 L524	I485-I489 HydrophobicContact CG2-CD1 3.88Å; I485-I489 HydrophobicContact CG2-CG1 4.46Å; I485-I489 WeakPolarHBondContact O-CG1 3.49Å; I485-I489 PolarHBondContact O-N 3.41Å; T486-I489 PolarHBondContact O-N 2.96Å; A487-I489 PolarHBondContact O-N 3.24Å; I489-I491 PolarHBondContact O-N 3.23Å; I489-C492 PolarHBondContact O-N 2.88Å; I489-E493 HydrophobicContact CG2-CG 4.31Å; I489-E493 WeakPolarHBondContact O-CG 3.18Å; I489-E493 PolarHBondContact O-N 3.24Å; I489-C523 HydrophobicContact CD1-CB 4.2Å; I489-C523 HydrophobicContact CG1-CB 3.52Å; I489-L524 HydrophobicContact CD1-CD2 3.98Å
490	M	97.2	Very high	94.5	Very high	106 Å²	106	50.1 Å²	50.1	52%	0.522	28%	0.275	S	S	.	.	H	α-helix	trans	-62	-41	178.5	-68.3	178.6	72.6	0	0	112.3	T486 A487 F488 C492 E493 N494	T486-M490 HydrophobicContact CG2-SD 4.46Å; T486-M490 WeakPolarHBondContact O-CG 3.39Å; T486-M490 PolarHBondContact O-N 3.19Å; A487-M490 PolarHBondContact O-N 3.42Å; F488-M490 VanDerWaalsContact C-N 3.33Å; M490-C492 VanDerWaalsContact C-N 3.34Å; M490-C492 PolarHBondContact O-N 2.92Å; M490-E493 PolarHBondContact O-N 3.45Å; M490-N494 WeakPolarHBondContact O-CB 3.34Å; M490-N494 VanDerWaalsContact O-CG 3.24Å; M490-N494 PolarHBondContact O-N 3.38Å; M490-N494 PolarHBondContact O-ND2 3Å
491	I	97.2	Very high	94.8	Very high	25 Å²	25	54.6 Å²	54.6	13%	0.128	29%	0.288	C	S	.	.	H	α-helix	trans	-58.4	-47.2	173.7	-68.4	168.1	0	0	0	110.4	L463 L466 A487 F488 I489 E493 N494 K495	L463-I491 HydrophobicContact CD2-CG2 3.68Å; L466-I491 HydrophobicContact CD1-CG2 4.36Å; L466-I491 HydrophobicContact CD2-CB 4.38Å; L466-I491 HydrophobicContact CD2-CG2 3.88Å; A487-I491 WeakPolarHBondContact O-CG1 3.37Å; A487-I491 PolarHBondContact O-N 3.03Å; F488-I491 HydrophobicContact CD1-CD1 4.07Å; F488-I491 HydrophobicContact CE1-CD1 4.49Å; F488-I491 PolarHBondContact O-N 3.06Å; I489-I491 PolarHBondContact O-N 3.23Å; I491-E493 PolarHBondContact O-N 2.82Å; I491-N494 PolarHBondContact O-N 3.26Å; I491-K495 PolarHBondContact O-N 2.93Å
492	C	98	Very high	94.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.3	-41.9	179.5	-63	0	0	0	0	112.3	F488 I489 M490 K495 I496 K520	F488-C492 PolarHBondContact O-N 3.43Å; F488-C492 PolarHBondContact O-SG 2.96Å; I489-C492 PolarHBondContact O-N 2.88Å; M490-C492 VanDerWaalsContact C-N 3.34Å; M490-C492 PolarHBondContact O-N 2.92Å; C492-K495 PolarHBondContact O-N 3.46Å; C492-I496 WeakPolarHBondContact O-CB 3.35Å; C492-I496 VanDerWaalsContact O-CG1 3.27Å; C492-I496 WeakPolarHBondContact O-CG1 3.44Å; C492-I496 PolarHBondContact O-N 3.11Å; C492-K520 HydrophobicContact CB-CB 3.84Å; C492-K520 HydrophobicContact CB-CG 4.47Å
493	E	97.6	Very high	94.8	Very high	75 Å²	75	56.4 Å²	56.4	35%	0.35	29%	0.288	S	S	.	.	H	α-helix	trans	-65.7	-43.5	178.7	-73.1	-175.9	154.5	0	0	112.4	I489 M490 I491 K495 I496 N497 K520	I489-E493 HydrophobicContact CG2-CG 4.31Å; I489-E493 WeakPolarHBondContact O-CG 3.18Å; I489-E493 PolarHBondContact O-N 3.24Å; M490-E493 PolarHBondContact O-N 3.45Å; I491-E493 PolarHBondContact O-N 2.82Å; E493-K495 VanDerWaalsContact C-N 3.3Å; E493-K495 PolarHBondContact O-N 3.48Å; E493-I496 PolarHBondContact O-N 3.48Å; E493-N497 VanDerWaalsContact O-CG 3.29Å; E493-N497 PolarHBondContact O-N 3.45Å; E493-N497 PolarHBondContact O-ND2 2.74Å; E493-K520 HydrophobicContact CG-CD 4.1Å; E493-K520 WeakPolarHBondContact OE1-CE 3.24Å; E493-K520 IonicContact OE1-NZ 3.16Å; E493-K520 PolarHBondContact OE1-NZ 3.15Å
494	N	96.7	Very high	94.4	Very high	106 Å²	106	57.6 Å²	57.6	57%	0.567	29%	0.294	S	S	*	.	H	α-helix	trans	-59.2	-43.9	174.5	-72.9	-21.2	0	0	0	111.1	M490 I491 N497 E498	M490-N494 WeakPolarHBondContact O-CB 3.34Å; M490-N494 VanDerWaalsContact O-CG 3.24Å; M490-N494 PolarHBondContact O-N 3.38Å; M490-N494 PolarHBondContact O-ND2 3Å; I491-N494 PolarHBondContact O-N 3.26Å; N494-N497 PolarHBondContact O-N 3.47Å; N494-E498 PolarHBondContact O-N 3.48Å
495	K	96.8	Very high	94	Very high	1 Å²	1	61.8 Å²	61.8	0%	0.004	32%	0.318	C	S	.	.	H	α-helix	trans	-63.8	-43.9	176.2	-179	59.5	63.4	-168.9	0	112.6	E401 T462 L463 I491 C492 E493 N497 E498 L499 A516	E401-K495 VanDerWaalsContact CD-CE 3.45Å; E401-K495 WeakPolarHBondContact OE1-CE 3.35Å; E401-K495 IonicContact OE1-NZ 2.73Å; E401-K495 PolarHBondContact OE1-NZ 3.48Å; E401-K495 WeakPolarHBondContact OE2-CE 3.47Å; E401-K495 IonicContact OE2-NZ 2.79Å; E401-K495 PolarHBondContact OE2-NZ 3.26Å; T462-K495 HydrophobicContact CG2-CD 4.12Å; T462-K495 HydrophobicContact CG2-CG 3.95Å; L463-K495 HydrophobicContact CD1-CB 4Å; L463-K495 HydrophobicContact CD1-CG 3.95Å; L463-K495 HydrophobicContact CD2-CB 4.11Å; L463-K495 HydrophobicContact CD2-CG 4.22Å; L463-K495 HydrophobicContact CG-CB 4.2Å; L463-K495 HydrophobicContact CG-CG 3.91Å; I491-K495 PolarHBondContact O-N 2.93Å; C492-K495 PolarHBondContact O-N 3.46Å; E493-K495 VanDerWaalsContact C-N 3.3Å; E493-K495 PolarHBondContact O-N 3.48Å; K495-N497 VanDerWaalsContact C-N 3.31Å; K495-N497 PolarHBondContact O-N 2.99Å; K495-E498 IonicContact NZ-OE1 2.81Å; K495-E498 IonicContact NZ-OE2 3.73Å; K495-E498 PolarHBondContact NZ-OE2 3.32Å; K495-E498 PolarHBondContact O-N 3.2Å; K495-L499 HydrophobicContact CD-CD1 4.23Å; K495-L499 HydrophobicContact CD-CG 4.1Å; K495-L499 HydrophobicContact CG-CD1 3.99Å; K495-L499 HydrophobicContact CG-CG 4.32Å; K495-L499 VanDerWaalsContact O-CG 3.29Å; K495-L499 WeakPolarHBondContact O-CG 3.43Å; K495-L499 PolarHBondContact O-N 3.13Å; K495-A516 HydrophobicContact CG-CB 4.18Å
496	I	97.6	Very high	93.6	Very high	13 Å²	13	63.6 Å²	63.6	7%	0.067	33%	0.33	C	S	.	.	H	α-helix	trans	-58.3	-46.3	177.6	-75.6	164.7	0	0	0	110.2	C492 E493 E498 L499 F500 Y513 A516 L517 K520	C492-I496 WeakPolarHBondContact O-CB 3.35Å; C492-I496 VanDerWaalsContact O-CG1 3.27Å; C492-I496 WeakPolarHBondContact O-CG1 3.44Å; C492-I496 PolarHBondContact O-N 3.11Å; E493-I496 PolarHBondContact O-N 3.48Å; I496-E498 PolarHBondContact O-N 3.05Å; I496-L499 PolarHBondContact O-N 2.67Å; I496-F500 HydrophobicContact CG2-CD2 3.72Å; I496-F500 HydrophobicContact CG2-CE2 3.58Å; I496-F500 VanDerWaalsContact O-CD2 3.25Å; I496-F500 WeakPolarHBondContact O-CD2 3.31Å; I496-F500 PolarHBondContact O-N 3.49Å; I496-Y513 HydrophobicContact CG1-CE2 4.43Å; I496-Y513 HydrophobicContact CG2-CD2 4.32Å; I496-Y513 HydrophobicContact CG2-CE2 3.79Å; I496-A516 HydrophobicContact CD1-CB 4.38Å; I496-A516 HydrophobicContact CG1-CB 3.74Å; I496-L517 HydrophobicContact CD1-CD1 4.24Å; I496-K520 HydrophobicContact CD1-CD 4.05Å
497	N	96.3	Very high	93.1	Very high	93 Å²	93	69.4 Å²	69.4	50%	0.497	36%	0.355	S	S	.	.	H	α-helix	trans	-62.4	-42.8	178.1	-69.5	-29.7	0	0	0	112.2	E493 N494 K495 F500 Q501	E493-N497 VanDerWaalsContact O-CG 3.29Å; E493-N497 PolarHBondContact O-N 3.45Å; E493-N497 PolarHBondContact O-ND2 2.74Å; N494-N497 PolarHBondContact O-N 3.47Å; K495-N497 VanDerWaalsContact C-N 3.31Å; K495-N497 PolarHBondContact O-N 2.99Å; N497-F500 PolarHBondContact O-N 2.86Å; N497-Q501 WeakPolarHBondContact O-CG 3.39Å; N497-Q501 PolarHBondContact O-N 2.66Å
498	E	94.3	Very high	92.8	Very high	57 Å²	57	68.4 Å²	68.4	27%	0.266	34%	0.344	S	S	.	.	H	α-helix	trans	-61.3	-42	174.9	-173.2	-155.1	138	0	0	112.2	R460 N494 K495 I496 Q501 N502	R460-E498 IonicContact CZ-OE1 2.72Å; R460-E498 IonicContact NH1-OE1 3.33Å; R460-E498 PolarHBondContact NH1-OE1 3.03Å; R460-E498 IonicContact NH2-OE1 3.72Å; R460-E498 PolarHBondContact NH2-OE1 3.09Å; R460-E498 IonicContact NH2-OE2 2.66Å; N494-E498 PolarHBondContact O-N 3.48Å; K495-E498 IonicContact NZ-OE1 2.81Å; K495-E498 IonicContact NZ-OE2 3.73Å; K495-E498 PolarHBondContact NZ-OE2 3.32Å; K495-E498 PolarHBondContact O-N 3.2Å; I496-E498 PolarHBondContact O-N 3.05Å; E498-Q501 PolarHBondContact O-N 2.83Å; E498-N502 PolarHBondContact O-ND2 3.01Å
499	L	95.1	Very high	92.7	Very high	9 Å²	9	68.6 Å²	68.6	5%	0.047	35%	0.345	C	S	.	.	H	α-helix	trans	-65.7	-39.7	178.1	-71.7	171.1	0	0	0	111.5	T462 K495 I496 Q501 N502 R503 F509 D512 A516	T462-L499 HydrophobicContact CG2-CD1 4.31Å; K495-L499 HydrophobicContact CD-CD1 4.23Å; K495-L499 HydrophobicContact CD-CG 4.1Å; K495-L499 HydrophobicContact CG-CD1 3.99Å; K495-L499 HydrophobicContact CG-CG 4.32Å; K495-L499 VanDerWaalsContact O-CG 3.29Å; K495-L499 WeakPolarHBondContact O-CG 3.43Å; K495-L499 PolarHBondContact O-N 3.13Å; I496-L499 PolarHBondContact O-N 2.67Å; L499-Q501 VanDerWaalsContact C-N 3.3Å; L499-Q501 PolarHBondContact O-N 3.26Å; L499-N502 CarbonylContact O-C 3.54Å; L499-N502 PolarHBondContact O-N 3.06Å; L499-N502 VanDerWaalsContact O-N 3.13Å; L499-R503 PolarHBondContact O-N 3.49Å; L499-R503 VanDerWaalsContact O-N 3.12Å; L499-F509 HydrophobicContact CB-CD2 4.35Å; L499-F509 HydrophobicContact CB-CE2 4.09Å; L499-F509 WeakPolarHBondContact O-CE2 3.16Å; L499-D512 HydrophobicContact CD1-CB 3.99Å; L499-D512 HydrophobicContact CD2-CB 3.88Å; L499-A516 HydrophobicContact CD1-CB 4.43Å
500	F	93.2	Very high	92.6	Very high	94 Å²	94	71 Å²	71	41%	0.412	35%	0.353	S	S	.	.	H	α-helix	trans	-61.6	-37.3	176.7	-88.5	-63.9	0	0	0	112.9	I496 N497 N502 R503 F509 Y513	I496-F500 HydrophobicContact CG2-CD2 3.72Å; I496-F500 HydrophobicContact CG2-CE2 3.58Å; I496-F500 VanDerWaalsContact O-CD2 3.25Å; I496-F500 WeakPolarHBondContact O-CD2 3.31Å; I496-F500 PolarHBondContact O-N 3.49Å; N497-F500 PolarHBondContact O-N 2.86Å; F500-N502 PolarHBondContact O-N 3.44Å; F500-R503 WeakPolarHBondContact O-CB 3.41Å; F500-R503 PolarHBondContact O-N 3.21Å; F500-F509 HydrophobicContact CD1-CE2 4.45Å; F500-F509 HydrophobicContact CD1-CZ 4.04Å; F500-F509 HydrophobicContact CE1-CZ 4.03Å; F500-Y513 HydrophobicContact CD2-CE2 4.36Å; F500-Y513 HydrophobicContact CE2-CD2 4.18Å; F500-Y513 AromaticContact CE2-CE2 3.44Å; F500-Y513 HydrophobicContact CE2-CE2 3.44Å; F500-Y513 VanDerWaalsContact CE2-CE2 3.44Å; F500-Y513 HydrophobicContact CZ-CD2 4.28Å; F500-Y513 AromaticContact CZ-CE2 3.54Å; F500-Y513 HydrophobicContact CZ-CE2 3.54Å; F500-Y513 AromaticContact CZ-CZ 3.83Å
501	Q	90.8	Very high	92.5	Very high	158 Å²	158	66 Å²	66	74%	0.738	33%	0.329	S	S	*	.	H	α-helix	trans	-63.2	-26.1	176.6	-68.5	171.7	10.1	0	0	112.7	N497 E498 L499	N497-Q501 WeakPolarHBondContact O-CG 3.39Å; N497-Q501 PolarHBondContact O-N 2.66Å; E498-Q501 PolarHBondContact O-N 2.83Å; L499-Q501 VanDerWaalsContact C-N 3.3Å; L499-Q501 PolarHBondContact O-N 3.26Å
502	N	86.5	Confident	92.4	Very high	76 Å²	76	65 Å²	65	41%	0.406	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	13.7	-176.4	-63	-56	0	0	0	113.3	E498 L499 F500 D504 T505 S506	E498-N502 PolarHBondContact O-ND2 3.01Å; L499-N502 CarbonylContact O-C 3.54Å; L499-N502 PolarHBondContact O-N 3.06Å; L499-N502 VanDerWaalsContact O-N 3.13Å; F500-N502 PolarHBondContact O-N 3.44Å; N502-D504 VanDerWaalsContact C-N 3.3Å; N502-D504 PolarHBondContact O-N 3.49Å; N502-T505 PolarHBondContact O-N 3.46Å; N502-T505 PolarHBondContact O-OG1 3.11Å; N502-S506 PolarHBondContact O-N 3.36Å
503	R	88.2	Confident	92.4	Very high	112 Å²	112	65.7 Å²	65.7	42%	0.423	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-43.8	-171.4	-179.9	178.3	-174.2	-161.1	2.5	113.8	L499 F500 T505 F509 Y510	L499-R503 PolarHBondContact O-N 3.49Å; L499-R503 VanDerWaalsContact O-N 3.12Å; F500-R503 WeakPolarHBondContact O-CB 3.41Å; F500-R503 PolarHBondContact O-N 3.21Å; R503-T505 PolarHBondContact O-N 3.26Å; R503-F509 HydrophobicContact CB-CD2 3.97Å; R503-F509 HydrophobicContact CB-CE2 3.87Å; R503-F509 HydrophobicContact CB-CG 4.41Å; R503-F509 HydrophobicContact CB-CZ 4.23Å; R503-F509 HydrophobicContact CG-CD1 3.87Å; R503-F509 HydrophobicContact CG-CD2 3.98Å; R503-F509 HydrophobicContact CG-CE1 3.81Å; R503-F509 HydrophobicContact CG-CE2 3.9Å; R503-F509 HydrophobicContact CG-CG 3.96Å; R503-F509 HydrophobicContact CG-CZ 3.82Å; R503-Y510 PolarHBondContact NH2-OH 3.01Å
504	D	85.4	Confident	92.4	Very high	162 Å²	162	62.1 Å²	62.1	87%	0.866	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-12.2	-173.9	-60.1	-33.2	0	0	0	113.2	N502	N502-D504 VanDerWaalsContact C-N 3.3Å; N502-D504 PolarHBondContact O-N 3.49Å
505	T	82.9	Confident	92.4	Very high	115 Å²	115	57.1 Å²	57.1	71%	0.706	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-20.1	-178.3	63.6	0	0	0	0	113.8	N502 R503	N502-T505 PolarHBondContact O-N 3.46Å; N502-T505 PolarHBondContact O-OG1 3.11Å; R503-T505 PolarHBondContact O-N 3.26Å
506	S	85.2	Confident	92.5	Very high	38 Å²	38	57.1 Å²	57.1	27%	0.266	28%	0.283	S	S	.	.			trans	-98.4	111.1	-173.7	177.3	0	0	0	0	112.1	N502 T508 F509	N502-S506 PolarHBondContact O-N 3.36Å; S506-T508 PolarHBondContact O-N 3.41Å; S506-T508 VanDerWaalsContact O-N 3.16Å; S506-T508 PolarHBondContact OG-N 3.37Å; S506-T508 PolarHBondContact OG-OG1 3.27Å; S506-F509 VanDerWaalsContact O-CB 3.31Å; S506-F509 WeakPolarHBondContact O-CB 3.39Å; S506-F509 PolarHBondContact O-N 3.46Å; S506-F509 VanDerWaalsContact O-N 3.12Å; S506-F509 PolarHBondContact OG-N 2.98Å; S506-F509 VanDerWaalsContact OG-N 3.12Å
507	E	85.2	Confident	92.5	Very high	163 Å²	163	56.9 Å²	56.9	76%	0.762	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.1	174.6	-65.7	-168.1	171.3	0	0	113.9	K548	E507-K548 PolarHBondContact O-NZ 2.79Å
508	T	90.1	Very high	92.6	Very high	23 Å²	23	52.4 Å²	52.4	14%	0.141	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	12.4	180	60.4	0	0	0	0	112.8	Q457 S506 Y510 D511 D512 M549	Q457-T508 VanDerWaalsContact NE2-CG2 3.3Å; Q457-T508 PolarHBondContact NE2-OG1 3.49Å; S506-T508 PolarHBondContact O-N 3.41Å; S506-T508 VanDerWaalsContact O-N 3.16Å; S506-T508 PolarHBondContact OG-N 3.37Å; S506-T508 PolarHBondContact OG-OG1 3.27Å; T508-Y510 VanDerWaalsContact C-N 3.27Å; T508-Y510 PolarHBondContact O-N 2.92Å; T508-Y510 VanDerWaalsContact O-N 3.15Å; T508-D511 PolarHBondContact O-N 3.24Å; T508-D512 PolarHBondContact O-N 3.43Å; T508-D512 PolarHBondContact OG1-OD2 2.86Å; T508-M549 HydrophobicContact CG2-SD 4.29Å
509	F	94.2	Very high	92.8	Very high	6 Å²	6	49.7 Å²	49.7	3%	0.026	25%	0.246	C	C	.	.	H	α-helix	trans	-46.6	-48.6	-177.6	168.9	-98.4	0	0	0	112.6	L499 F500 R503 S506 D512 Y513	L499-F509 HydrophobicContact CB-CD2 4.35Å; L499-F509 HydrophobicContact CB-CE2 4.09Å; L499-F509 WeakPolarHBondContact O-CE2 3.16Å; F500-F509 HydrophobicContact CD1-CE2 4.45Å; F500-F509 HydrophobicContact CD1-CZ 4.04Å; F500-F509 HydrophobicContact CE1-CZ 4.03Å; R503-F509 HydrophobicContact CB-CD2 3.97Å; R503-F509 HydrophobicContact CB-CE2 3.87Å; R503-F509 HydrophobicContact CB-CG 4.41Å; R503-F509 HydrophobicContact CB-CZ 4.23Å; R503-F509 HydrophobicContact CG-CD1 3.87Å; R503-F509 HydrophobicContact CG-CD2 3.98Å; R503-F509 HydrophobicContact CG-CE1 3.81Å; R503-F509 HydrophobicContact CG-CE2 3.9Å; R503-F509 HydrophobicContact CG-CG 3.96Å; R503-F509 HydrophobicContact CG-CZ 3.82Å; S506-F509 VanDerWaalsContact O-CB 3.31Å; S506-F509 WeakPolarHBondContact O-CB 3.39Å; S506-F509 PolarHBondContact O-N 3.46Å; S506-F509 VanDerWaalsContact O-N 3.12Å; S506-F509 PolarHBondContact OG-N 2.98Å; S506-F509 VanDerWaalsContact OG-N 3.12Å; F509-D512 PolarHBondContact O-N 2.91Å; F509-Y513 HydrophobicContact CE1-CG 4.48Å; F509-Y513 HydrophobicContact CZ-CD2 4.31Å; F509-Y513 HydrophobicContact CZ-CG 4.19Å; F509-Y513 WeakPolarHBondContact O-CB 3.37Å; F509-Y513 PolarHBondContact O-N 3.29Å
510	Y	95.4	Very high	92.9	Very high	58 Å²	58	51.1 Å²	51.1	23%	0.227	25%	0.251	C	S	.	.	H	α-helix	trans	-68.5	-35.5	-177.1	-72.3	-74.9	0	0	0	113	R503 T508 C514 K546 L547	R503-Y510 PolarHBondContact NH2-OH 3.01Å; T508-Y510 VanDerWaalsContact C-N 3.27Å; T508-Y510 PolarHBondContact O-N 2.92Å; T508-Y510 VanDerWaalsContact O-N 3.15Å; Y510-C514 VanDerWaalsContact O-CB 3.25Å; Y510-C514 WeakPolarHBondContact O-CB 3.49Å; Y510-C514 PolarHBondContact O-N 2.93Å; Y510-C514 PolarHBondContact O-SG 3.35Å; Y510-K546 HydrophobicContact CD1-CB 3.97Å; Y510-K546 HydrophobicContact CD1-CD 3.68Å; Y510-K546 HydrophobicContact CD2-CB 3.76Å; Y510-K546 HydrophobicContact CD2-CD 4.08Å; Y510-K546 HydrophobicContact CE1-CB 4.41Å; Y510-K546 HydrophobicContact CE1-CD 3.29Å; Y510-K546 HydrophobicContact CE1-CG 4.49Å; Y510-K546 HydrophobicContact CE2-CB 4.2Å; Y510-K546 HydrophobicContact CE2-CD 3.72Å; Y510-K546 HydrophobicContact CE2-CG 4.49Å; Y510-K546 HydrophobicContact CG-CB 3.62Å; Y510-K546 HydrophobicContact CG-CD 4.06Å; Y510-K546 PolarHBondContact OH-NZ 3.11Å; Y510-L547 WeakPolarHBondContact O-CD2 3.35Å
511	D	95.1	Very high	93.1	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-65.4	-45.2	175	-67.5	-86.7	0	0	0	111	T508 L515 L547 K548 M549 D550	T508-D511 PolarHBondContact O-N 3.24Å; D511-L515 WeakPolarHBondContact O-CB 3.37Å; D511-L515 PolarHBondContact O-N 2.98Å; D511-L515 VanDerWaalsContact O-N 3.12Å; D511-L547 HydrophobicContact CB-CD2 4.36Å; D511-K548 PolarHBondContact OD1-N 2.93Å; D511-K548 PolarHBondContact OD2-N 3.45Å; D511-K548 VanDerWaalsContact OD2-N 3.11Å; D511-M549 WeakPolarHBondContact OD1-CA 3.45Å; D511-M549 PolarHBondContact OD1-N 2.97Å; D511-D550 PolarHBondContact OD1-N 2.93Å
512	D	95.9	Very high	93.3	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-68.7	-42.2	179.3	-64.6	-43.2	0	0	0	111.9	R453 T462 L499 T508 F509 L515 A516	R453-D512 IonicContact CZ-OD1 3.9Å; R453-D512 IonicContact NH2-OD1 3.26Å; R453-D512 PolarHBondContact NH2-OD1 2.91Å; T462-D512 HydrophobicContact CG2-CB 4.17Å; T462-D512 VanDerWaalsContact OG1-CB 3.29Å; T462-D512 WeakPolarHBondContact OG1-CB 3.31Å; T462-D512 PolarHBondContact OG1-OD1 3.38Å; L499-D512 HydrophobicContact CD1-CB 3.99Å; L499-D512 HydrophobicContact CD2-CB 3.88Å; T508-D512 PolarHBondContact O-N 3.43Å; T508-D512 PolarHBondContact OG1-OD2 2.86Å; F509-D512 PolarHBondContact O-N 2.91Å; D512-L515 PolarHBondContact O-N 3.1Å; D512-A516 PolarHBondContact O-N 2.93Å
513	Y	97.2	Very high	93.8	Very high	16 Å²	16	35.8 Å²	35.8	6%	0.063	18%	0.179	C	C	.	.	H	α-helix	trans	-63.5	-49.8	177.6	175.8	-107.3	0	0	0	111.8	I496 F500 F509 L515 A516 L517 E539	I496-Y513 HydrophobicContact CG1-CE2 4.43Å; I496-Y513 HydrophobicContact CG2-CD2 4.32Å; I496-Y513 HydrophobicContact CG2-CE2 3.79Å; F500-Y513 HydrophobicContact CD2-CE2 4.36Å; F500-Y513 HydrophobicContact CE2-CD2 4.18Å; F500-Y513 AromaticContact CE2-CE2 3.44Å; F500-Y513 HydrophobicContact CE2-CE2 3.44Å; F500-Y513 VanDerWaalsContact CE2-CE2 3.44Å; F500-Y513 HydrophobicContact CZ-CD2 4.28Å; F500-Y513 AromaticContact CZ-CE2 3.54Å; F500-Y513 HydrophobicContact CZ-CE2 3.54Å; F500-Y513 AromaticContact CZ-CZ 3.83Å; F509-Y513 HydrophobicContact CE1-CG 4.48Å; F509-Y513 HydrophobicContact CZ-CD2 4.31Å; F509-Y513 HydrophobicContact CZ-CG 4.19Å; F509-Y513 WeakPolarHBondContact O-CB 3.37Å; F509-Y513 PolarHBondContact O-N 3.29Å; Y513-L515 VanDerWaalsContact C-N 3.29Å; Y513-L515 PolarHBondContact O-N 3.5Å; Y513-A516 PolarHBondContact O-N 3.01Å; Y513-L517 HydrophobicContact CE1-CD2 3.91Å; Y513-L517 WeakPolarHBondContact O-CB 3.48Å; Y513-L517 PolarHBondContact O-N 3.08Å; Y513-E539 VanDerWaalsContact CE1-OE1 3.31Å; Y513-E539 WeakPolarHBondContact CE1-OE1 3.38Å; Y513-E539 VanDerWaalsContact CZ-OE1 3.3Å; Y513-E539 PolarHBondContact OH-OE1 2.96Å
514	C	98	Very high	94.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.5	-32.8	179.5	-71.9	0	0	0	0	112.1	Y510 M518 I540 L547 L553	Y510-C514 VanDerWaalsContact O-CB 3.25Å; Y510-C514 WeakPolarHBondContact O-CB 3.49Å; Y510-C514 PolarHBondContact O-N 2.93Å; Y510-C514 PolarHBondContact O-SG 3.35Å; C514-M518 VanDerWaalsContact O-CB 3.25Å; C514-M518 WeakPolarHBondContact O-CB 3.44Å; C514-M518 PolarHBondContact O-N 3Å; C514-I540 HydrophobicContact CB-CG1 4.19Å; C514-I540 HydrophobicContact CB-CG2 4.01Å; C514-L547 HydrophobicContact CB-CD2 3.88Å; C514-L553 HydrophobicContact CB-CD1 3.89Å
515	L	97.6	Very high	94.4	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-63.8	-49.8	172.5	175.7	58.9	0	0	0	111	T462 E467 D511 D512 Y513 L517 M518 L519 L553	T462-L515 WeakPolarHBondContact O-CD2 3.11Å; E467-L515 HydrophobicContact CB-CD1 4.32Å; E467-L515 HydrophobicContact CB-CD2 4.5Å; E467-L515 HydrophobicContact CG-CD1 3.99Å; E467-L515 HydrophobicContact CG-CD2 4.42Å; D511-L515 WeakPolarHBondContact O-CB 3.37Å; D511-L515 PolarHBondContact O-N 2.98Å; D511-L515 VanDerWaalsContact O-N 3.12Å; D512-L515 PolarHBondContact O-N 3.1Å; Y513-L515 VanDerWaalsContact C-N 3.29Å; Y513-L515 PolarHBondContact O-N 3.5Å; L515-L517 VanDerWaalsContact C-N 3.3Å; L515-L517 PolarHBondContact O-N 3.48Å; L515-M518 WeakPolarHBondContact O-CB 3.41Å; L515-M518 PolarHBondContact O-N 3.29Å; L515-L519 HydrophobicContact CD1-CD1 4.17Å; L515-L519 HydrophobicContact CD1-CG 4.26Å; L515-L519 HydrophobicContact CG-CD1 4.24Å; L515-L519 VanDerWaalsContact O-CG 3.31Å; L515-L519 WeakPolarHBondContact O-CG 3.5Å; L515-L519 PolarHBondContact O-N 3.18Å; L515-L553 HydrophobicContact CB-CD1 4.17Å; L515-L553 HydrophobicContact CD1-CD2 4.06Å
516	A	98.3	Very high	94.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.9	-39.2	178	0	0	0	0	0	112.1	L463 K495 I496 L499 D512 Y513 L519 K520	L463-A516 HydrophobicContact CD1-CB 3.95Å; K495-A516 HydrophobicContact CG-CB 4.18Å; I496-A516 HydrophobicContact CD1-CB 4.38Å; I496-A516 HydrophobicContact CG1-CB 3.74Å; L499-A516 HydrophobicContact CD1-CB 4.43Å; D512-A516 PolarHBondContact O-N 2.93Å; Y513-A516 PolarHBondContact O-N 3.01Å; A516-L519 PolarHBondContact O-N 3.43Å; A516-K520 WeakPolarHBondContact O-CB 3.48Å; A516-K520 PolarHBondContact O-N 3.4Å
517	L	98.2	Very high	94.9	Very high	8 Å²	8	22.5 Å²	22.5	4%	0.042	10%	0.1	C	C	.	.	H	α-helix	trans	-68.1	-34.6	176.2	-167.5	59	0	0	0	112.4	I496 Y513 L515 G521 C536 E539 I540	I496-L517 HydrophobicContact CD1-CD1 4.24Å; Y513-L517 HydrophobicContact CE1-CD2 3.91Å; Y513-L517 WeakPolarHBondContact O-CB 3.48Å; Y513-L517 PolarHBondContact O-N 3.08Å; L515-L517 VanDerWaalsContact C-N 3.3Å; L515-L517 PolarHBondContact O-N 3.48Å; L517-G521 PolarHBondContact O-N 3.45Å; L517-C536 HydrophobicContact CD1-CB 3.79Å; L517-C536 HydrophobicContact CG-CB 3.92Å; L517-E539 HydrophobicContact CD2-CB 3.88Å; L517-E539 HydrophobicContact CD2-CG 3.86Å; L517-I540 HydrophobicContact CB-CD1 4.2Å; L517-I540 HydrophobicContact CB-CG1 4.21Å; L517-I540 HydrophobicContact CD2-CG1 3.97Å; L517-I540 HydrophobicContact CG-CD1 4.28Å; L517-I540 HydrophobicContact CG-CG1 4.18Å
518	M	98.1	Very high	95	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.6	-49	174.4	-177.8	60.1	162.7	0	0	110.8	F470 C514 L515 K520 G521 V522 F537 I540 L553 C557 E560	F470-M518 HydrophobicContact CE1-CE 4.35Å; F470-M518 HydrophobicContact CE2-CE 3.84Å; F470-M518 HydrophobicContact CE2-CG 4.5Å; F470-M518 HydrophobicContact CZ-CE 3.42Å; F470-M518 VanDerWaalsContact CZ-CE 3.42Å; F470-M518 HydrophobicContact CZ-CG 4.24Å; C514-M518 VanDerWaalsContact O-CB 3.25Å; C514-M518 WeakPolarHBondContact O-CB 3.44Å; C514-M518 PolarHBondContact O-N 3Å; L515-M518 WeakPolarHBondContact O-CB 3.41Å; L515-M518 PolarHBondContact O-N 3.29Å; M518-K520 VanDerWaalsContact C-N 3.34Å; M518-K520 PolarHBondContact O-N 3.13Å; M518-G521 PolarHBondContact O-N 2.69Å; M518-V522 WeakPolarHBondContact O-CG2 3.29Å; M518-V522 PolarHBondContact O-N 3.24Å; M518-F537 HydrophobicContact SD-CD1 3.8Å; M518-F537 HydrophobicContact SD-CE1 3.64Å; M518-I540 HydrophobicContact CB-CD1 3.82Å; M518-I540 HydrophobicContact SD-CD1 4.22Å; M518-L553 HydrophobicContact CB-CD2 4.12Å; M518-L553 HydrophobicContact CG-CD2 4.09Å; M518-C557 PolarHBondContact SD-SG 2.97Å; M518-E560 HydrophobicContact CE-CG 3.75Å
519	L	98.2	Very high	95.1	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.6	-43.2	178.8	-64.2	171.1	0	0	0	111.2	L463 L466 F470 F475 L515 A516 V522 C523	L463-L519 HydrophobicContact CB-CD1 3.82Å; L463-L519 HydrophobicContact CD1-CD1 3.83Å; L463-L519 HydrophobicContact CG-CD1 4.5Å; L466-L519 HydrophobicContact CB-CD1 3.72Å; L466-L519 HydrophobicContact CB-CD2 4.27Å; L466-L519 HydrophobicContact CB-CG 4.5Å; L466-L519 WeakPolarHBondContact O-CD2 3.43Å; F470-L519 HydrophobicContact CB-CD2 3.5Å; F470-L519 HydrophobicContact CG-CD2 4.11Å; F475-L519 HydrophobicContact CE2-CD2 3.97Å; F475-L519 HydrophobicContact CZ-CD2 4.42Å; L515-L519 HydrophobicContact CD1-CD1 4.17Å; L515-L519 HydrophobicContact CD1-CG 4.26Å; L515-L519 HydrophobicContact CG-CD1 4.24Å; L515-L519 VanDerWaalsContact O-CG 3.31Å; L515-L519 WeakPolarHBondContact O-CG 3.5Å; L515-L519 PolarHBondContact O-N 3.18Å; A516-L519 PolarHBondContact O-N 3.43Å; L519-V522 PolarHBondContact O-N 3.06Å; L519-C523 PolarHBondContact O-N 3.1Å; L519-C523 VanDerWaalsContact O-N 3.08Å; L519-C523 PolarHBondContact O-SG 3.34Å
520	K	98.2	Very high	95	Very high	39 Å²	39	19.5 Å²	19.5	17%	0.17	10%	0.096	C	C	.	.	H	α-helix	trans	-58	-51.7	172.2	-173.9	-178.2	-179.5	173.2	0	111.3	C492 E493 I496 A516 M518 V522 C523 L524	C492-K520 HydrophobicContact CB-CB 3.84Å; C492-K520 HydrophobicContact CB-CG 4.47Å; E493-K520 HydrophobicContact CG-CD 4.1Å; E493-K520 WeakPolarHBondContact OE1-CE 3.24Å; E493-K520 IonicContact OE1-NZ 3.16Å; E493-K520 PolarHBondContact OE1-NZ 3.15Å; I496-K520 HydrophobicContact CD1-CD 4.05Å; A516-K520 WeakPolarHBondContact O-CB 3.48Å; A516-K520 PolarHBondContact O-N 3.4Å; M518-K520 VanDerWaalsContact C-N 3.34Å; M518-K520 PolarHBondContact O-N 3.13Å; K520-V522 VanDerWaalsContact C-N 3.31Å; K520-V522 PolarHBondContact O-N 3.3Å; K520-C523 PolarHBondContact O-N 3.15Å; K520-C523 VanDerWaalsContact O-N 3.15Å; K520-L524 HydrophobicContact CD-CD1 4.39Å; K520-L524 HydrophobicContact CG-CD1 3.89Å; K520-L524 HydrophobicContact CG-CG 4.26Å; K520-L524 VanDerWaalsContact O-CG 3.28Å; K520-L524 WeakPolarHBondContact O-CG 3.35Å; K520-L524 PolarHBondContact O-N 3.4Å
521	G	97.3	Very high	95	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-57.6	-41.8	-179.1	0	0	0	0	0	112.9	L517 M518 L524 R525 A533	L517-G521 PolarHBondContact O-N 3.45Å; M518-G521 PolarHBondContact O-N 2.69Å; G521-L524 PolarHBondContact O-N 3.15Å; G521-R525 PolarHBondContact O-N 3.2Å; G521-A533 WeakPolarHBondContact O-CB 3.42Å
522	V	95	Very high	95.1	Very high	6 Å²	6	28.2 Å²	28.2	4%	0.036	14%	0.136	C	C	.	.	H	α-helix	trans	-64.7	-44.1	175.9	173	0	0	0	0	111.4	F470 F475 M518 L519 K520 L524 R525 C526 F537 E560	F470-V522 HydrophobicContact CD2-CG1 4.48Å; F470-V522 HydrophobicContact CD2-CG2 3.93Å; F470-V522 HydrophobicContact CE2-CG2 3.75Å; F475-V522 HydrophobicContact CB-CG1 3.9Å; F475-V522 HydrophobicContact CD2-CG1 3.86Å; F475-V522 HydrophobicContact CG-CG1 4.12Å; M518-V522 WeakPolarHBondContact O-CG2 3.29Å; M518-V522 PolarHBondContact O-N 3.24Å; L519-V522 PolarHBondContact O-N 3.06Å; K520-V522 VanDerWaalsContact C-N 3.31Å; K520-V522 PolarHBondContact O-N 3.3Å; V522-L524 PolarHBondContact O-N 3.49Å; V522-R525 PolarHBondContact O-N 3.14Å; V522-C526 PolarHBondContact O-N 3.48Å; V522-C526 PolarHBondContact O-SG 3.37Å; V522-F537 HydrophobicContact CG2-CE1 4.22Å; V522-F537 HydrophobicContact CG2-CZ 4.21Å; V522-E560 HydrophobicContact CG2-CG 4.26Å
523	C	95.4	Very high	95.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.1	-41.9	176.3	-64.3	0	0	0	0	112	F475 I485 I489 L519 K520 R525 C526 R527	F475-C523 VanDerWaalsContact CE1-SG 3.55Å; I485-C523 HydrophobicContact CG2-CB 4.29Å; I485-C523 WeakPolarHBondContact CG2-O 3.24Å; I489-C523 HydrophobicContact CD1-CB 4.2Å; I489-C523 HydrophobicContact CG1-CB 3.52Å; L519-C523 PolarHBondContact O-N 3.1Å; L519-C523 VanDerWaalsContact O-N 3.08Å; L519-C523 PolarHBondContact O-SG 3.34Å; K520-C523 PolarHBondContact O-N 3.15Å; K520-C523 VanDerWaalsContact O-N 3.15Å; C523-R525 VanDerWaalsContact C-N 3.34Å; C523-R525 PolarHBondContact O-N 3.12Å; C523-C526 PolarHBondContact O-N 3.29Å; C523-R527 PolarHBondContact O-N 3.11Å
524	L	95.3	Very high	95.2	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-60.9	-42	175.2	-69.8	169.9	0	0	0	111.5	I489 K520 G521 V522 R527 G528 Q529 Q532 A533	I489-L524 HydrophobicContact CD1-CD2 3.98Å; K520-L524 HydrophobicContact CD-CD1 4.39Å; K520-L524 HydrophobicContact CG-CD1 3.89Å; K520-L524 HydrophobicContact CG-CG 4.26Å; K520-L524 VanDerWaalsContact O-CG 3.28Å; K520-L524 WeakPolarHBondContact O-CG 3.35Å; K520-L524 PolarHBondContact O-N 3.4Å; G521-L524 PolarHBondContact O-N 3.15Å; V522-L524 PolarHBondContact O-N 3.49Å; L524-R527 CarbonylContact O-C 3.39Å; L524-R527 PolarHBondContact O-N 3.34Å; L524-G528 PolarHBondContact O-N 3.17Å; L524-Q529 HydrophobicContact CB-CB 4.3Å; L524-Q529 HydrophobicContact CD2-CB 4.22Å; L524-Q529 PolarHBondContact O-N 3.37Å; L524-Q532 HydrophobicContact CD1-CB 3.85Å; L524-Q532 HydrophobicContact CD2-CB 4.37Å; L524-A533 HydrophobicContact CB-CB 3.98Å
525	R	91.6	Very high	95.2	Very high	18 Å²	18	37.2 Å²	37.2	7%	0.068	18%	0.176	C	C	.	.	H	α-helix	trans	-61.5	-47.2	174.3	-175.3	173.3	70	66.5	6.9	111.2	G521 V522 C523 R527 G528 A533 E560 L564 E567	G521-R525 PolarHBondContact O-N 3.2Å; V522-R525 PolarHBondContact O-N 3.14Å; C523-R525 VanDerWaalsContact C-N 3.34Å; C523-R525 PolarHBondContact O-N 3.12Å; R525-R527 PolarHBondContact O-N 2.83Å; R525-G528 PolarHBondContact O-N 2.86Å; R525-A533 HydrophobicContact CB-CB 3.97Å; R525-E560 IonicContact CZ-OE2 3.13Å; R525-E560 IonicContact NE-OE2 3.83Å; R525-E560 PolarHBondContact NE-OE2 3.45Å; R525-E560 IonicContact NH2-OE2 3.73Å; R525-E560 PolarHBondContact NH2-OE2 2.86Å; R525-L564 HydrophobicContact CB-CD2 4.39Å; R525-L564 HydrophobicContact CG-CD2 3.56Å; R525-E567 IonicContact NH1-OE1 2.85Å
526	C	89	Confident	95.2	Very high	10 Å²	10	37.7 Å²	37.7	7%	0.068	18%	0.179	C	C	.	.	H	α-helix	trans	-60.9	-26.8	175.9	-71.8	0	0	0	0	113.2	Q479 I485 V522 C523 G528	Q479-C526 HydrophobicContact CB-CB 4.16Å; I485-C526 HydrophobicContact CD1-CB 3.82Å; V522-C526 PolarHBondContact O-N 3.48Å; V522-C526 PolarHBondContact O-SG 3.37Å; C523-C526 PolarHBondContact O-N 3.29Å; C526-G528 VanDerWaalsContact C-N 3.31Å
527	R	89.8	Confident	95.2	Very high	116 Å²	116	37.7 Å²	37.7	44%	0.438	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-2	173.7	-158.3	177.8	166.3	171.7	1.8	113.7	I485 T486 C523 L524 R525 Q529	I485-R527 HydrophobicContact CG2-CB 3.94Å; I485-R527 HydrophobicContact CG2-CG 4.35Å; T486-R527 PolarHBondContact OG1-NH1 2.67Å; C523-R527 PolarHBondContact O-N 3.11Å; L524-R527 CarbonylContact O-C 3.39Å; L524-R527 PolarHBondContact O-N 3.34Å; R525-R527 PolarHBondContact O-N 2.83Å; R527-Q529 VanDerWaalsContact C-N 3.3Å; R527-Q529 HydrophobicContact CB-CG 4.46Å; R527-Q529 PolarHBondContact O-N 3.16Å
528	G	87.7	Confident	95.2	Very high	33 Å²	33	38.9 Å²	38.9	34%	0.34	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	13.8	-174.3	0	0	0	0	0	114.5	L524 R525 C526 T530	L524-G528 PolarHBondContact O-N 3.17Å; R525-G528 PolarHBondContact O-N 2.86Å; C526-G528 VanDerWaalsContact C-N 3.31Å; G528-T530 PolarHBondContact O-N 2.95Å
529	Q	92.5	Very high	95.2	Very high	58 Å²	58	42.2 Å²	42.2	27%	0.271	20%	0.203	S	C	.	.			trans	-85.3	60.8	176.1	-66.3	-176.4	-46.8	0	0	110.8	L524 R527 F531 Q532 A533	L524-Q529 HydrophobicContact CB-CB 4.3Å; L524-Q529 HydrophobicContact CD2-CB 4.22Å; L524-Q529 PolarHBondContact O-N 3.37Å; R527-Q529 VanDerWaalsContact C-N 3.3Å; R527-Q529 HydrophobicContact CB-CG 4.46Å; R527-Q529 PolarHBondContact O-N 3.16Å; Q529-F531 PolarHBondContact O-N 3.31Å; Q529-Q532 HydrophobicContact CB-CB 4.41Å; Q529-Q532 PolarHBondContact O-N 3.37Å; Q529-Q532 VanDerWaalsContact O-N 3.14Å; Q529-A533 PolarHBondContact O-N 2.94Å
530	T	91.7	Very high	95.2	Very high	38 Å²	38	42.2 Å²	42.2	23%	0.233	20%	0.203	C	C	.	.	H	α-helix	trans	-52.6	-49.5	-170.2	-59	0	0	0	0	113.8	G528 Q532 A533 Y534 L564 E568	G528-T530 PolarHBondContact O-N 2.95Å; T530-Q532 VanDerWaalsContact C-N 3.35Å; T530-Q532 PolarHBondContact O-N 3.36Å; T530-A533 WeakPolarHBondContact O-CB 3.41Å; T530-A533 PolarHBondContact O-N 3.18Å; T530-Y534 WeakPolarHBondContact O-CB 3.43Å; T530-Y534 PolarHBondContact O-N 3.49Å; T530-L564 HydrophobicContact CG2-CD1 4.47Å; T530-L564 HydrophobicContact CG2-CD2 3.85Å; T530-E568 HydrophobicContact CG2-CG 4.42Å; T530-E568 WeakPolarHBondContact CG2-OE1 3.26Å
531	F	95.5	Very high	95.1	Very high	151 Å²	151	42.4 Å²	42.4	66%	0.662	21%	0.205	S	C	*	.	H	α-helix	trans	-61.1	-41.8	-179.4	-179.3	-102.8	0	0	0	112.6	Q529 Y534 M535	Q529-F531 PolarHBondContact O-N 3.31Å; F531-Y534 WeakPolarHBondContact O-CB 3.47Å; F531-Y534 PolarHBondContact O-N 3Å; F531-M535 HydrophobicContact CD1-CG 4.48Å; F531-M535 HydrophobicContact CD1-SD 4.01Å; F531-M535 HydrophobicContact CE1-CG 4.12Å; F531-M535 HydrophobicContact CE1-SD 3.38Å; F531-M535 WeakPolarHBondContact CE1-SD 3.46Å; F531-M535 HydrophobicContact CZ-CG 4.23Å; F531-M535 HydrophobicContact CZ-SD 3.85Å; F531-M535 WeakPolarHBondContact O-CG 3.46Å; F531-M535 PolarHBondContact O-N 3.43Å
532	Q	97	Very high	95.1	Very high	91 Å²	91	49.4 Å²	49.4	43%	0.425	24%	0.238	S	C	.	.	H	α-helix	trans	-70	-37.3	179	-61.4	-177.9	0.8	0	0	111.4	L524 Q529 T530 M535 C536	L524-Q532 HydrophobicContact CD1-CB 3.85Å; L524-Q532 HydrophobicContact CD2-CB 4.37Å; Q529-Q532 HydrophobicContact CB-CB 4.41Å; Q529-Q532 PolarHBondContact O-N 3.37Å; Q529-Q532 VanDerWaalsContact O-N 3.14Å; T530-Q532 VanDerWaalsContact C-N 3.35Å; T530-Q532 PolarHBondContact O-N 3.36Å; Q532-M535 PolarHBondContact O-N 2.87Å; Q532-C536 PolarHBondContact O-N 2.98Å; Q532-C536 VanDerWaalsContact O-N 3.11Å; Q532-C536 PolarHBondContact O-SG 2.89Å
533	A	96.8	Very high	95.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.9	-46.5	172.7	0	0	0	0	0	111.3	G521 L524 R525 Q529 T530 M535 C536 F537 L564	G521-A533 WeakPolarHBondContact O-CB 3.42Å; L524-A533 HydrophobicContact CB-CB 3.98Å; R525-A533 HydrophobicContact CB-CB 3.97Å; Q529-A533 PolarHBondContact O-N 2.94Å; T530-A533 WeakPolarHBondContact O-CB 3.41Å; T530-A533 PolarHBondContact O-N 3.18Å; A533-M535 VanDerWaalsContact C-N 3.32Å; A533-M535 PolarHBondContact O-N 3.38Å; A533-C536 WeakPolarHBondContact O-CB 3.45Å; A533-C536 PolarHBondContact O-N 3.4Å; A533-C536 VanDerWaalsContact O-N 3.13Å; A533-F537 HydrophobicContact CB-CE2 3.98Å; A533-F537 WeakPolarHBondContact O-CD2 3.13Å; A533-F537 WeakPolarHBondContact O-CG 3.36Å; A533-F537 PolarHBondContact O-N 3.48Å; A533-L564 HydrophobicContact CB-CD1 4.19Å
534	Y	97.2	Very high	95.1	Very high	104 Å²	104	54.2 Å²	54.2	41%	0.408	26%	0.26	S	S	.	.	H	α-helix	trans	-55.9	-44.7	175.5	177.9	-87.8	0	0	0	112	T530 F531 C536 F537 T538 L561	T530-Y534 WeakPolarHBondContact O-CB 3.43Å; T530-Y534 PolarHBondContact O-N 3.49Å; F531-Y534 WeakPolarHBondContact O-CB 3.47Å; F531-Y534 PolarHBondContact O-N 3Å; Y534-C536 PolarHBondContact O-N 3.4Å; Y534-F537 PolarHBondContact O-N 3.17Å; Y534-T538 WeakPolarHBondContact CE1-OG1 3.32Å; Y534-T538 WeakPolarHBondContact O-CB 3.39Å; Y534-T538 PolarHBondContact O-N 3.08Å; Y534-T538 PolarHBondContact O-OG1 3.38Å; Y534-L561 HydrophobicContact CD2-CD2 3.52Å; Y534-L561 HydrophobicContact CE2-CD2 3.8Å; Y534-L561 HydrophobicContact CG-CD2 4.32Å
535	M	98.1	Very high	95	Very high	105 Å²	105	65.8 Å²	65.8	52%	0.517	30%	0.303	S	S	.	.	H	α-helix	trans	-59.9	-45.7	176	-71.4	-175.2	74	0	0	111.9	F531 Q532 A533 F537 T538 E539	F531-M535 HydrophobicContact CD1-CG 4.48Å; F531-M535 HydrophobicContact CD1-SD 4.01Å; F531-M535 HydrophobicContact CE1-CG 4.12Å; F531-M535 HydrophobicContact CE1-SD 3.38Å; F531-M535 WeakPolarHBondContact CE1-SD 3.46Å; F531-M535 HydrophobicContact CZ-CG 4.23Å; F531-M535 HydrophobicContact CZ-SD 3.85Å; F531-M535 WeakPolarHBondContact O-CG 3.46Å; F531-M535 PolarHBondContact O-N 3.43Å; Q532-M535 PolarHBondContact O-N 2.87Å; A533-M535 VanDerWaalsContact C-N 3.32Å; A533-M535 PolarHBondContact O-N 3.38Å; M535-F537 PolarHBondContact O-N 2.9Å; M535-T538 PolarHBondContact O-N 3.17Å; M535-E539 WeakPolarHBondContact O-CB 3.42Å; M535-E539 PolarHBondContact O-N 2.9Å
536	C	98.4	Very high	95.1	Very high	10 Å²	10	69.4 Å²	69.4	7%	0.068	32%	0.319	C	S	.	.	H	α-helix	trans	-57.9	-48.8	177.2	-65	0	0	0	0	111.4	L517 Q532 A533 Y534 E539 I540	L517-C536 HydrophobicContact CD1-CB 3.79Å; L517-C536 HydrophobicContact CG-CB 3.92Å; Q532-C536 PolarHBondContact O-N 2.98Å; Q532-C536 VanDerWaalsContact O-N 3.11Å; Q532-C536 PolarHBondContact O-SG 2.89Å; A533-C536 WeakPolarHBondContact O-CB 3.45Å; A533-C536 PolarHBondContact O-N 3.4Å; A533-C536 VanDerWaalsContact O-N 3.13Å; Y534-C536 PolarHBondContact O-N 3.4Å; C536-E539 PolarHBondContact O-N 2.97Å; C536-I540 WeakPolarHBondContact O-CG1 3.47Å; C536-I540 PolarHBondContact O-N 3.42Å
537	F	98.2	Very high	95.3	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-68.6	-40.2	-178	-56.6	-42.1	0	0	0	112.7	M518 V522 A533 Y534 M535 E539 I540 I541 E560 L561 L564	M518-F537 HydrophobicContact SD-CD1 3.8Å; M518-F537 HydrophobicContact SD-CE1 3.64Å; V522-F537 HydrophobicContact CG2-CE1 4.22Å; V522-F537 HydrophobicContact CG2-CZ 4.21Å; A533-F537 HydrophobicContact CB-CE2 3.98Å; A533-F537 WeakPolarHBondContact O-CD2 3.13Å; A533-F537 WeakPolarHBondContact O-CG 3.36Å; A533-F537 PolarHBondContact O-N 3.48Å; Y534-F537 PolarHBondContact O-N 3.17Å; M535-F537 PolarHBondContact O-N 2.9Å; F537-E539 VanDerWaalsContact C-N 3.31Å; F537-E539 PolarHBondContact O-N 3.17Å; F537-I540 PolarHBondContact O-N 2.98Å; F537-I541 WeakPolarHBondContact O-CG1 3.5Å; F537-I541 PolarHBondContact O-N 2.98Å; F537-I541 VanDerWaalsContact O-N 3.12Å; F537-E560 HydrophobicContact CD1-CB 4.31Å; F537-E560 HydrophobicContact CD2-CB 3.95Å; F537-E560 HydrophobicContact CE1-CB 3.97Å; F537-E560 HydrophobicContact CE1-CG 4.15Å; F537-E560 HydrophobicContact CE2-CB 3.57Å; F537-E560 HydrophobicContact CE2-CG 4.45Å; F537-E560 HydrophobicContact CG-CB 4.32Å; F537-E560 HydrophobicContact CZ-CB 3.58Å; F537-E560 HydrophobicContact CZ-CG 3.96Å; F537-L561 HydrophobicContact CB-CD1 4.1Å; F537-L561 HydrophobicContact CB-CD2 3.79Å; F537-L561 HydrophobicContact CB-CG 3.73Å; F537-L561 HydrophobicContact CD2-CD2 4.23Å; F537-L561 HydrophobicContact CD2-CG 4.38Å; F537-L561 HydrophobicContact CG-CG 4.45Å; F537-L564 HydrophobicContact CD2-CD1 3.9Å; F537-L564 HydrophobicContact CE2-CD1 3.93Å
538	T	97.6	Very high	95.4	Very high	33 Å²	33	70.9 Å²	70.9	20%	0.202	33%	0.328	C	S	.	.	H	α-helix	trans	-62.1	-40.5	177.9	-62.3	0	0	0	0	111.5	Y534 M535 I540 I541 Q542	Y534-T538 WeakPolarHBondContact CE1-OG1 3.32Å; Y534-T538 WeakPolarHBondContact O-CB 3.39Å; Y534-T538 PolarHBondContact O-N 3.08Å; Y534-T538 PolarHBondContact O-OG1 3.38Å; M535-T538 PolarHBondContact O-N 3.17Å; T538-I540 VanDerWaalsContact C-N 3.33Å; T538-I540 PolarHBondContact O-N 3.05Å; T538-I541 PolarHBondContact O-N 3.46Å; T538-Q542 WeakPolarHBondContact O-CG 3.22Å; T538-Q542 PolarHBondContact O-N 3.18Å
539	E	98	Very high	95.5	Very high	71 Å²	71	73.2 Å²	73.2	33%	0.332	33%	0.331	S	S	.	.	H	α-helix	trans	-65	-35.5	177.1	-177.2	173.8	167.3	0	0	112.8	Y513 L517 M535 C536 F537 Q542 S543	Y513-E539 VanDerWaalsContact CE1-OE1 3.31Å; Y513-E539 WeakPolarHBondContact CE1-OE1 3.38Å; Y513-E539 VanDerWaalsContact CZ-OE1 3.3Å; Y513-E539 PolarHBondContact OH-OE1 2.96Å; L517-E539 HydrophobicContact CD2-CB 3.88Å; L517-E539 HydrophobicContact CD2-CG 3.86Å; M535-E539 WeakPolarHBondContact O-CB 3.42Å; M535-E539 PolarHBondContact O-N 2.9Å; C536-E539 PolarHBondContact O-N 2.97Å; F537-E539 VanDerWaalsContact C-N 3.31Å; F537-E539 PolarHBondContact O-N 3.17Å; E539-Q542 PolarHBondContact O-N 2.84Å; E539-S543 PolarHBondContact O-N 3.2Å; E539-S543 VanDerWaalsContact O-N 3.1Å; E539-S543 PolarHBondContact O-OG 3.27Å; E539-S543 VanDerWaalsContact O-OG 3.1Å
540	I	98.1	Very high	95.5	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-64.1	-44.9	173.5	-62.4	163.6	0	0	0	110.5	C514 L517 M518 C536 F537 T538 Q542 S543 K544 L554 C557	C514-I540 HydrophobicContact CB-CG1 4.19Å; C514-I540 HydrophobicContact CB-CG2 4.01Å; L517-I540 HydrophobicContact CB-CD1 4.2Å; L517-I540 HydrophobicContact CB-CG1 4.21Å; L517-I540 HydrophobicContact CD2-CG1 3.97Å; L517-I540 HydrophobicContact CG-CD1 4.28Å; L517-I540 HydrophobicContact CG-CG1 4.18Å; M518-I540 HydrophobicContact CB-CD1 3.82Å; M518-I540 HydrophobicContact SD-CD1 4.22Å; C536-I540 WeakPolarHBondContact O-CG1 3.47Å; C536-I540 PolarHBondContact O-N 3.42Å; F537-I540 PolarHBondContact O-N 2.98Å; T538-I540 VanDerWaalsContact C-N 3.33Å; T538-I540 PolarHBondContact O-N 3.05Å; I540-Q542 VanDerWaalsContact C-N 3.32Å; I540-Q542 PolarHBondContact O-N 2.97Å; I540-S543 CarbonylContact O-C 3.56Å; I540-S543 WeakPolarHBondContact O-CA 3.37Å; I540-S543 WeakPolarHBondContact O-CB 3.42Å; I540-S543 PolarHBondContact O-N 3.45Å; I540-K544 PolarHBondContact O-N 3.2Å; I540-L554 HydrophobicContact CG2-CD2 4.31Å; I540-C557 VanDerWaalsContact CD1-SG 3.5Å; I540-C557 WeakPolarHBondContact CG2-SG 3.44Å
541	I	97.4	Very high	95.6	Very high	42 Å²	42	71.2 Å²	71.2	22%	0.215	32%	0.323	C	S	.	.	H	α-helix	trans	-61.8	-40.4	176.9	-63.3	-60.2	0	0	0	111.4	F537 T538 S543 K544 L554 C557 E558 L561	F537-I541 WeakPolarHBondContact O-CG1 3.5Å; F537-I541 PolarHBondContact O-N 2.98Å; F537-I541 VanDerWaalsContact O-N 3.12Å; T538-I541 PolarHBondContact O-N 3.46Å; I541-S543 PolarHBondContact O-N 3.2Å; I541-K544 WeakPolarHBondContact O-CB 3.35Å; I541-K544 PolarHBondContact O-N 3.37Å; I541-K544 VanDerWaalsContact O-N 3.12Å; I541-L554 HydrophobicContact CD1-CD2 4.12Å; I541-C557 HydrophobicContact CD1-CB 3.94Å; I541-C557 HydrophobicContact CG1-CB 4.34Å; I541-E558 HydrophobicContact CD1-CG 3.96Å; I541-L561 HydrophobicContact CG1-CD1 4.22Å
542	Q	97	Very high	95.5	Very high	147 Å²	147	64 Å²	64	69%	0.687	29%	0.292	S	S	*	.	H	α-helix	trans	-62.9	-27.5	174.7	-70.2	173.7	7.3	0	0	112.6	T538 E539 I540 K544	T538-Q542 WeakPolarHBondContact O-CG 3.22Å; T538-Q542 PolarHBondContact O-N 3.18Å; E539-Q542 PolarHBondContact O-N 2.84Å; I540-Q542 VanDerWaalsContact C-N 3.32Å; I540-Q542 PolarHBondContact O-N 2.97Å; Q542-K544 VanDerWaalsContact C-N 3.32Å
543	S	94.9	Very high	95.5	Very high	10 Å²	10	59.7 Å²	59.7	7%	0.07	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	3.8	177.2	-62	0	0	0	0	114.2	E539 I540 I541 R545 K546 L547	E539-S543 PolarHBondContact O-N 3.2Å; E539-S543 VanDerWaalsContact O-N 3.1Å; E539-S543 PolarHBondContact O-OG 3.27Å; E539-S543 VanDerWaalsContact O-OG 3.1Å; I540-S543 CarbonylContact O-C 3.56Å; I540-S543 WeakPolarHBondContact O-CA 3.37Å; I540-S543 WeakPolarHBondContact O-CB 3.42Å; I540-S543 PolarHBondContact O-N 3.45Å; I541-S543 PolarHBondContact O-N 3.2Å; S543-R545 VanDerWaalsContact C-N 3.31Å; S543-R545 PolarHBondContact O-N 3.17Å; S543-R545 VanDerWaalsContact O-N 3.1Å; S543-K546 WeakPolarHBondContact O-CB 3.4Å; S543-K546 PolarHBondContact O-N 2.88Å; S543-L547 PolarHBondContact O-N 3.01Å
544	K	94.3	Very high	95.6	Very high	98 Å²	98	60 Å²	60	43%	0.426	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-45	-45.3	-177.1	168.3	164.8	-174.5	172	0	115.5	I540 I541 Q542 K546 L554 Y584	I540-K544 PolarHBondContact O-N 3.2Å; I541-K544 WeakPolarHBondContact O-CB 3.35Å; I541-K544 PolarHBondContact O-N 3.37Å; I541-K544 VanDerWaalsContact O-N 3.12Å; Q542-K544 VanDerWaalsContact C-N 3.32Å; K544-K546 PolarHBondContact O-N 3.04Å; K544-L554 HydrophobicContact CB-CD1 4.01Å; K544-L554 HydrophobicContact CB-CD2 3.88Å; K544-L554 HydrophobicContact CD-CD1 4.02Å; K544-L554 HydrophobicContact CG-CD1 3.61Å; K544-L554 HydrophobicContact CG-CD2 4.37Å; K544-Y584 HydrophobicContact CD-CE1 4.49Å; K544-Y584 PolarHBondContact NZ-OH 2.99Å
545	R	94.2	Very high	95.5	Very high	246 Å²	246	55 Å²	55	93%	0.928	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-72.6	-11.4	-177.4	-65.9	-176.1	-179.5	174	0.9	113.6	S543	S543-R545 VanDerWaalsContact C-N 3.31Å; S543-R545 PolarHBondContact O-N 3.17Å; S543-R545 VanDerWaalsContact O-N 3.1Å
546	K	94.2	Very high	95.4	Very high	95 Å²	95	50.2 Å²	50.2	41%	0.413	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-101.7	-17.8	-174.4	-50.9	-175.2	-175.5	172.3	0	112.9	Y510 S543 K544	Y510-K546 HydrophobicContact CD1-CB 3.97Å; Y510-K546 HydrophobicContact CD1-CD 3.68Å; Y510-K546 HydrophobicContact CD2-CB 3.76Å; Y510-K546 HydrophobicContact CD2-CD 4.08Å; Y510-K546 HydrophobicContact CE1-CB 4.41Å; Y510-K546 HydrophobicContact CE1-CD 3.29Å; Y510-K546 HydrophobicContact CE1-CG 4.49Å; Y510-K546 HydrophobicContact CE2-CB 4.2Å; Y510-K546 HydrophobicContact CE2-CD 3.72Å; Y510-K546 HydrophobicContact CE2-CG 4.49Å; Y510-K546 HydrophobicContact CG-CB 3.62Å; Y510-K546 HydrophobicContact CG-CD 4.06Å; Y510-K546 PolarHBondContact OH-NZ 3.11Å; S543-K546 WeakPolarHBondContact O-CB 3.4Å; S543-K546 PolarHBondContact O-N 2.88Å; K544-K546 PolarHBondContact O-N 3.04Å
547	L	93.2	Very high	95.3	Very high	14 Å²	14	49.7 Å²	49.7	7%	0.073	23%	0.226	C	C	.	.			trans	-70.6	133.1	174.2	-69.7	172.9	0	0	0	110.7	Y510 D511 C514 S543 L554	Y510-L547 WeakPolarHBondContact O-CD2 3.35Å; D511-L547 HydrophobicContact CB-CD2 4.36Å; C514-L547 HydrophobicContact CB-CD2 3.88Å; S543-L547 PolarHBondContact O-N 3.01Å; L547-L554 HydrophobicContact CD1-CD1 4.13Å; L547-L554 HydrophobicContact CD1-CD2 3.76Å; L547-L554 HydrophobicContact CD1-CG 3.74Å
548	K	91.2	Very high	95.3	Very high	142 Å²	142	50.1 Å²	50.1	62%	0.617	23%	0.228	S	C	*	.	S	Bend	trans	-111.4	-37.5	-179.7	-64.1	175.6	-176.5	166.5	0	112.6	E507 D511	E507-K548 PolarHBondContact O-NZ 2.79Å; D511-K548 PolarHBondContact OD1-N 2.93Å; D511-K548 PolarHBondContact OD2-N 3.45Å; D511-K548 VanDerWaalsContact OD2-N 3.11Å
549	M	89.4	Confident	95.1	Very high	82 Å²	82	48.5 Å²	48.5	40%	0.404	22%	0.218	S	C	.	.	S	Bend	trans	-116.5	-49.1	-167.9	-67	-174.4	149.8	0	0	113	R449 T508 D511 T551	R449-M549 PolarHBondContact NH1-O 3.49Å; T508-M549 HydrophobicContact CG2-SD 4.29Å; D511-M549 WeakPolarHBondContact OD1-CA 3.45Å; D511-M549 PolarHBondContact OD1-N 2.97Å; M549-T551 PolarHBondContact O-N 3.18Å
550	D	92.4	Very high	94.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	20%	0.203	C	C	.	.			trans	-93.6	48.4	-174.6	-74.2	-26.6	0	0	0	111.9	R449 K450 R453 D511 Y552 L553	R449-D550 IonicContact CZ-OD1 3.21Å; R449-D550 VanDerWaalsContact CZ-OD1 3.25Å; R449-D550 IonicContact NH1-OD1 3.09Å; R449-D550 PolarHBondContact NH1-OD1 3.48Å; R449-D550 IonicContact NH2-OD1 3.88Å; R449-D550 PolarHBondContact NH2-OD1 3.2Å; K450-D550 IonicContact NZ-OD2 2.72Å; R453-D550 IonicContact CZ-OD2 2.6Å; R453-D550 IonicContact NH1-OD1 3.87Å; R453-D550 PolarHBondContact NH1-OD1 3.5Å; R453-D550 IonicContact NH1-OD2 3.53Å; R453-D550 PolarHBondContact NH1-OD2 3.34Å; R453-D550 IonicContact NH2-OD2 3.2Å; R453-D550 PolarHBondContact NH2-OD2 3.03Å; D511-D550 PolarHBondContact OD1-N 2.93Å; D550-Y552 HydrophobicContact CB-CD1 4.02Å; D550-Y552 HydrophobicContact CB-CE1 3.71Å; D550-Y552 PolarHBondContact O-N 3.19Å; D550-Y552 WeakPolarHBondContact OD1-CE1 3.5Å; D550-L553 HydrophobicContact CB-CD1 3.81Å; D550-L553 HydrophobicContact CB-CG 4.08Å; D550-L553 WeakPolarHBondContact O-CB 3.45Å; D550-L553 VanDerWaalsContact O-CG 3.3Å; D550-L553 WeakPolarHBondContact O-CG 3.37Å; D550-L553 PolarHBondContact O-N 3.45Å
551	T	94	Very high	94.8	Very high	55 Å²	55	45.4 Å²	45.4	34%	0.337	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.4	178.1	58.1	0	0	0	0	113.2	M549 L553 L554 P555	M549-T551 PolarHBondContact O-N 3.18Å; T551-L553 PolarHBondContact O-N 2.88Å; T551-L554 PolarHBondContact O-N 3.22Å; T551-P555 VanDerWaalsContact O-CD 3.3Å; T551-P555 WeakPolarHBondContact O-CD 3.39Å
552	Y	94.7	Very high	94.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-23.7	172.1	83.4	-84	0	0	0	113	E467 F470 D550 L554 P555 Y556 H588 L589	E467-Y552 PolarHBondContact OE1-OH 3.38Å; F470-Y552 HydrophobicContact CE1-CE2 4.38Å; D550-Y552 HydrophobicContact CB-CD1 4.02Å; D550-Y552 HydrophobicContact CB-CE1 3.71Å; D550-Y552 PolarHBondContact O-N 3.19Å; D550-Y552 WeakPolarHBondContact OD1-CE1 3.5Å; Y552-L554 PolarHBondContact O-N 2.7Å; Y552-P555 VanDerWaalsContact O-CD 3.25Å; Y552-P555 WeakPolarHBondContact O-CD 3.44Å; Y552-P555 WeakPolarHBondContact O-CG 3.35Å; Y552-Y556 AromaticContact CD2-CD2 3.91Å; Y552-Y556 HydrophobicContact CD2-CD2 3.91Å; Y552-Y556 HydrophobicContact CD2-CE2 4.06Å; Y552-Y556 WeakPolarHBondContact O-CD2 3.3Å; Y552-Y556 PolarHBondContact O-N 3.44Å; Y552-H588 WeakPolarHBondContact CB-O 3.2Å; Y552-L589 HydrophobicContact CD2-CD1 4.07Å; Y552-L589 HydrophobicContact CE2-CD1 4.09Å
553	L	96.7	Very high	94.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.8	-36.6	177	-66.9	171.7	0	0	0	111.3	C514 L515 M518 D550 T551 Y556 C557	C514-L553 HydrophobicContact CB-CD1 3.89Å; L515-L553 HydrophobicContact CB-CD1 4.17Å; L515-L553 HydrophobicContact CD1-CD2 4.06Å; M518-L553 HydrophobicContact CB-CD2 4.12Å; M518-L553 HydrophobicContact CG-CD2 4.09Å; D550-L553 HydrophobicContact CB-CD1 3.81Å; D550-L553 HydrophobicContact CB-CG 4.08Å; D550-L553 WeakPolarHBondContact O-CB 3.45Å; D550-L553 VanDerWaalsContact O-CG 3.3Å; D550-L553 WeakPolarHBondContact O-CG 3.37Å; D550-L553 PolarHBondContact O-N 3.45Å; T551-L553 PolarHBondContact O-N 2.88Å; L553-Y556 CarbonylContact O-C 3.52Å; L553-Y556 PolarHBondContact O-N 2.89Å; L553-C557 WeakPolarHBondContact O-CB 3.44Å; L553-C557 PolarHBondContact O-N 3.2Å; L553-C557 PolarHBondContact O-SG 2.77Å
554	L	97.4	Very high	94.3	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.031	16%	0.159	C	C	.	.	H	α-helix	trans	-62.1	-56.8	-175.7	-61.7	171.1	0	0	0	113.9	I540 I541 K544 L547 T551 Y552 Y556 C557 E558 Y584	I540-L554 HydrophobicContact CG2-CD2 4.31Å; I541-L554 HydrophobicContact CD1-CD2 4.12Å; K544-L554 HydrophobicContact CB-CD1 4.01Å; K544-L554 HydrophobicContact CB-CD2 3.88Å; K544-L554 HydrophobicContact CD-CD1 4.02Å; K544-L554 HydrophobicContact CG-CD1 3.61Å; K544-L554 HydrophobicContact CG-CD2 4.37Å; L547-L554 HydrophobicContact CD1-CD1 4.13Å; L547-L554 HydrophobicContact CD1-CD2 3.76Å; L547-L554 HydrophobicContact CD1-CG 3.74Å; T551-L554 PolarHBondContact O-N 3.22Å; Y552-L554 PolarHBondContact O-N 2.7Å; L554-Y556 PolarHBondContact O-N 2.97Å; L554-C557 WeakPolarHBondContact O-CB 3.48Å; L554-C557 PolarHBondContact O-N 3.2Å; L554-C557 VanDerWaalsContact O-N 3.16Å; L554-E558 WeakPolarHBondContact O-CG 3.48Å; L554-E558 PolarHBondContact O-N 3.16Å; L554-Y584 HydrophobicContact CB-CD1 4.31Å; L554-Y584 HydrophobicContact CB-CE1 3.62Å; L554-Y584 HydrophobicContact CD1-CE1 3.88Å; L554-Y584 HydrophobicContact CG-CE1 4.42Å
555	P	96.7	Very high	94.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.7	-29.5	177.4	26.5	-35.6	0	0	0	112.5	T551 Y552 E558 M559 Y584 Y587 L593	T551-P555 VanDerWaalsContact O-CD 3.3Å; T551-P555 WeakPolarHBondContact O-CD 3.39Å; Y552-P555 VanDerWaalsContact O-CD 3.25Å; Y552-P555 WeakPolarHBondContact O-CD 3.44Å; Y552-P555 WeakPolarHBondContact O-CG 3.35Å; P555-E558 PolarHBondContact O-N 2.77Å; P555-M559 WeakPolarHBondContact O-CG 3.49Å; P555-M559 PolarHBondContact O-N 2.92Å; P555-Y584 HydrophobicContact CB-CD2 3.7Å; P555-Y584 HydrophobicContact CB-CE2 4.48Å; P555-Y584 HydrophobicContact CB-CG 3.83Å; P555-Y584 HydrophobicContact CG-CD2 4.43Å; P555-Y584 HydrophobicContact CG-CG 4.11Å; P555-Y587 HydrophobicContact CB-CE1 4.27Å; P555-Y587 HydrophobicContact CB-CE2 4.14Å; P555-Y587 HydrophobicContact CG-CD1 3.98Å; P555-Y587 HydrophobicContact CG-CD2 3.53Å; P555-Y587 HydrophobicContact CG-CE1 3.92Å; P555-Y587 HydrophobicContact CG-CE2 3.45Å; P555-Y587 VanDerWaalsContact CG-CE2 3.45Å; P555-Y587 HydrophobicContact CG-CG 3.82Å; P555-L593 HydrophobicContact CB-CD2 3.58Å; P555-L593 HydrophobicContact CG-CD2 4.13Å
556	Y	95.3	Very high	94.1	Very high	3 Å²	3	22.7 Å²	22.7	1%	0.012	11%	0.106	C	C	.	.	H	α-helix	trans	-67.2	-39.6	172	-86.1	-102	0	0	0	112	F470 Y552 L553 L554 M559 E560 Y587 L589 L593	F470-Y556 AromaticContact CE1-CD1 3.87Å; F470-Y556 HydrophobicContact CE1-CD1 3.87Å; F470-Y556 HydrophobicContact CE1-CE1 4.29Å; F470-Y556 HydrophobicContact CE1-CG 4.43Å; F470-Y556 AromaticContact CZ-CD1 3.5Å; F470-Y556 HydrophobicContact CZ-CD1 3.5Å; F470-Y556 VanDerWaalsContact CZ-CD1 3.5Å; F470-Y556 HydrophobicContact CZ-CE1 4.21Å; F470-Y556 HydrophobicContact CZ-CG 4.17Å; Y552-Y556 AromaticContact CD2-CD2 3.91Å; Y552-Y556 HydrophobicContact CD2-CD2 3.91Å; Y552-Y556 HydrophobicContact CD2-CE2 4.06Å; Y552-Y556 WeakPolarHBondContact O-CD2 3.3Å; Y552-Y556 PolarHBondContact O-N 3.44Å; L553-Y556 CarbonylContact O-C 3.52Å; L553-Y556 PolarHBondContact O-N 2.89Å; L554-Y556 PolarHBondContact O-N 2.97Å; Y556-M559 WeakPolarHBondContact O-CB 3.33Å; Y556-M559 PolarHBondContact O-N 3.32Å; Y556-E560 WeakPolarHBondContact O-CG 3.45Å; Y556-E560 PolarHBondContact O-N 2.83Å; Y556-Y587 HydrophobicContact CE2-CE2 4.39Å; Y556-L589 HydrophobicContact CE2-CB 3.97Å; Y556-L589 WeakPolarHBondContact OH-CB 3.41Å; Y556-L589 PolarHBondContact OH-O 3.01Å; Y556-L593 HydrophobicContact CD1-CD1 3.76Å; Y556-L593 HydrophobicContact CD2-CB 4.37Å; Y556-L593 HydrophobicContact CD2-CD1 3.98Å; Y556-L593 HydrophobicContact CD2-CD2 3.79Å; Y556-L593 HydrophobicContact CD2-CG 4.27Å; Y556-L593 HydrophobicContact CE1-CD1 3.81Å; Y556-L593 HydrophobicContact CE2-CB 3.81Å; Y556-L593 HydrophobicContact CE2-CD1 4.03Å; Y556-L593 HydrophobicContact CE2-CD2 4.08Å; Y556-L593 HydrophobicContact CE2-CG 4.19Å; Y556-L593 HydrophobicContact CG-CD1 3.87Å; Y556-L593 HydrophobicContact CG-CD2 4.28Å
557	C	96.6	Very high	93.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.2	-43	173.8	-70	0	0	0	0	111.7	M518 I540 I541 L553 L554 M559 E560 L561	M518-C557 PolarHBondContact SD-SG 2.97Å; I540-C557 VanDerWaalsContact CD1-SG 3.5Å; I540-C557 WeakPolarHBondContact CG2-SG 3.44Å; I541-C557 HydrophobicContact CD1-CB 3.94Å; I541-C557 HydrophobicContact CG1-CB 4.34Å; L553-C557 WeakPolarHBondContact O-CB 3.44Å; L553-C557 PolarHBondContact O-N 3.2Å; L553-C557 PolarHBondContact O-SG 2.77Å; L554-C557 WeakPolarHBondContact O-CB 3.48Å; L554-C557 PolarHBondContact O-N 3.2Å; L554-C557 VanDerWaalsContact O-N 3.16Å; C557-M559 PolarHBondContact O-N 3.18Å; C557-E560 PolarHBondContact O-N 2.99Å; C557-L561 WeakPolarHBondContact O-CG 3.33Å; C557-L561 PolarHBondContact O-N 3.4Å
558	E	97.4	Very high	93.5	Very high	8 Å²	8	26.1 Å²	26.1	4%	0.037	12%	0.123	C	C	.	.	H	α-helix	trans	-59	-38.2	173.3	-65.6	-72.4	-175.1	0	0	111.1	I541 L554 P555 L561 C562 H577 K580 A581 Y584	I541-E558 HydrophobicContact CD1-CG 3.96Å; L554-E558 WeakPolarHBondContact O-CG 3.48Å; L554-E558 PolarHBondContact O-N 3.16Å; P555-E558 PolarHBondContact O-N 2.77Å; E558-L561 PolarHBondContact O-N 2.95Å; E558-C562 WeakPolarHBondContact O-CB 3.2Å; E558-C562 PolarHBondContact O-N 3.11Å; E558-H577 IonicContact OE2-CE1 3.26Å; E558-H577 IonicContact OE2-CG 2.89Å; E558-H577 IonicContact OE2-ND1 2.75Å; E558-H577 PolarHBondContact OE2-ND1 3.39Å; E558-K580 HydrophobicContact CG-CB 4.01Å; E558-K580 WeakPolarHBondContact OE2-CD 3.48Å; E558-A581 HydrophobicContact CB-CB 3.85Å; E558-Y584 HydrophobicContact CG-CE2 3.96Å
559	M	94.1	Very high	93.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-67.5	-40.1	174.2	-78	-59.4	-66.4	0	0	113.3	P555 Y556 C557 C562 H563 L578 A581 L593 R596 I597 M600	P555-M559 WeakPolarHBondContact O-CG 3.49Å; P555-M559 PolarHBondContact O-N 2.92Å; Y556-M559 WeakPolarHBondContact O-CB 3.33Å; Y556-M559 PolarHBondContact O-N 3.32Å; C557-M559 PolarHBondContact O-N 3.18Å; M559-C562 WeakPolarHBondContact O-CB 3.45Å; M559-C562 PolarHBondContact O-N 3.22Å; M559-H563 PolarHBondContact O-CD2 3.26Å; M559-H563 PolarHBondContact O-N 2.78Å; M559-L578 HydrophobicContact CE-CD1 4.18Å; M559-L578 HydrophobicContact SD-CD1 3.7Å; M559-A581 HydrophobicContact CG-CB 3.8Å; M559-A581 HydrophobicContact SD-CB 3.91Å; M559-L593 HydrophobicContact CB-CD1 4.01Å; M559-L593 HydrophobicContact CG-CD1 3.6Å; M559-L593 HydrophobicContact CG-CD2 4.08Å; M559-L593 HydrophobicContact CG-CG 3.97Å; M559-R596 HydrophobicContact CE-CB 4.11Å; M559-I597 HydrophobicContact CE-CB 4.45Å; M559-I597 HydrophobicContact CE-CG1 3.9Å; M559-I597 HydrophobicContact CG-CG1 3.98Å; M559-I597 HydrophobicContact SD-CB 4.36Å; M559-I597 HydrophobicContact SD-CD1 4.39Å; M559-I597 HydrophobicContact SD-CG1 3.37Å; M559-I597 WeakPolarHBondContact SD-CG1 3.43Å; M559-M600 HydrophobicContact CE-CB 4.13Å
560	E	94.5	Very high	93.4	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.009	12%	0.122	C	C	.	.	H	α-helix	trans	-66.5	-37.5	174.7	-62.2	-57.9	135	0	0	111.7	M518 V522 R525 F537 Y556 C557 H563 L564 R596	M518-E560 HydrophobicContact CE-CG 3.75Å; V522-E560 HydrophobicContact CG2-CG 4.26Å; R525-E560 IonicContact CZ-OE2 3.13Å; R525-E560 IonicContact NE-OE2 3.83Å; R525-E560 PolarHBondContact NE-OE2 3.45Å; R525-E560 IonicContact NH2-OE2 3.73Å; R525-E560 PolarHBondContact NH2-OE2 2.86Å; F537-E560 HydrophobicContact CD1-CB 4.31Å; F537-E560 HydrophobicContact CD2-CB 3.95Å; F537-E560 HydrophobicContact CE1-CB 3.97Å; F537-E560 HydrophobicContact CE1-CG 4.15Å; F537-E560 HydrophobicContact CE2-CB 3.57Å; F537-E560 HydrophobicContact CE2-CG 4.45Å; F537-E560 HydrophobicContact CG-CB 4.32Å; F537-E560 HydrophobicContact CZ-CB 3.58Å; F537-E560 HydrophobicContact CZ-CG 3.96Å; Y556-E560 WeakPolarHBondContact O-CG 3.45Å; Y556-E560 PolarHBondContact O-N 2.83Å; C557-E560 PolarHBondContact O-N 2.99Å; E560-H563 WeakPolarHBondContact O-CB 3.36Å; E560-H563 PolarHBondContact O-N 3.49Å; E560-L564 WeakPolarHBondContact O-CG 3.35Å; E560-L564 PolarHBondContact O-N 2.91Å; E560-R596 IonicContact OE1-CZ 2.74Å; E560-R596 IonicContact OE1-NH1 2.74Å; E560-R596 PolarHBondContact OE1-NH1 2.99Å; E560-R596 IonicContact OE1-NH2 3.36Å; E560-R596 PolarHBondContact OE1-NH2 3.45Å
561	L	96	Very high	93.4	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.021	13%	0.127	C	C	.	.	H	α-helix	trans	-64.3	-41.5	172.1	-72.8	167.3	0	0	0	111.9	Y534 F537 I541 C557 E558 H563 L564 S565	Y534-L561 HydrophobicContact CD2-CD2 3.52Å; Y534-L561 HydrophobicContact CE2-CD2 3.8Å; Y534-L561 HydrophobicContact CG-CD2 4.32Å; F537-L561 HydrophobicContact CB-CD1 4.1Å; F537-L561 HydrophobicContact CB-CD2 3.79Å; F537-L561 HydrophobicContact CB-CG 3.73Å; F537-L561 HydrophobicContact CD2-CD2 4.23Å; F537-L561 HydrophobicContact CD2-CG 4.38Å; F537-L561 HydrophobicContact CG-CG 4.45Å; I541-L561 HydrophobicContact CG1-CD1 4.22Å; C557-L561 WeakPolarHBondContact O-CG 3.33Å; C557-L561 PolarHBondContact O-N 3.4Å; E558-L561 PolarHBondContact O-N 2.95Å; L561-H563 VanDerWaalsContact C-N 3.3Å; L561-H563 PolarHBondContact O-N 2.99Å; L561-L564 PolarHBondContact O-N 3.04Å; L561-S565 PolarHBondContact O-N 2.76Å; L561-S565 PolarHBondContact O-OG 3.24Å
562	C	94.8	Very high	93.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57	-44	173.2	-179.5	0	0	0	0	111.6	E558 M559 Y566 A574 H577 M600	E558-C562 WeakPolarHBondContact O-CB 3.2Å; E558-C562 PolarHBondContact O-N 3.11Å; M559-C562 WeakPolarHBondContact O-CB 3.45Å; M559-C562 PolarHBondContact O-N 3.22Å; C562-Y566 VanDerWaalsContact O-CB 3.3Å; C562-Y566 WeakPolarHBondContact O-CB 3.15Å; C562-Y566 PolarHBondContact O-N 3.43Å; C562-A574 PolarHBondContact SG-O 3.36Å; C562-H577 HydrophobicContact CB-CB 3.72Å; C562-M600 VanDerWaalsContact SG-CG 3.58Å
563	H	90.8	Very high	93.4	Very high	5 Å²	5	29.1 Å²	29.1	2%	0.023	15%	0.152	C	C	.	.	H	α-helix	trans	-61.5	-45.9	174.9	-82	-74.5	0	0	0	112.2	M559 E560 L561 Y566 E567 R596 M600	M559-H563 PolarHBondContact O-CD2 3.26Å; M559-H563 PolarHBondContact O-N 2.78Å; E560-H563 WeakPolarHBondContact O-CB 3.36Å; E560-H563 PolarHBondContact O-N 3.49Å; L561-H563 VanDerWaalsContact C-N 3.3Å; L561-H563 PolarHBondContact O-N 2.99Å; H563-Y566 PolarHBondContact O-N 3.41Å; H563-E567 WeakPolarHBondContact O-CB 3.12Å; H563-E567 VanDerWaalsContact O-CG 3.31Å; H563-E567 WeakPolarHBondContact O-CG 3.43Å; H563-E567 PolarHBondContact O-N 3.17Å; H563-R596 PolarHBondContact CD2-NH2 2.91Å; H563-R596 PolarHBondContact NE2-NH2 3.28Å; H563-M600 WeakPolarHBondContact CE1-CE 3.49Å; H563-M600 WeakPolarHBondContact ND1-CE 3.48Å
564	L	92.2	Very high	93.3	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-59.3	-51.1	177.7	-69.2	-176.5	0	0	0	111.7	R525 T530 A533 F537 E560 L561 Y566 E567 E568	R525-L564 HydrophobicContact CB-CD2 4.39Å; R525-L564 HydrophobicContact CG-CD2 3.56Å; T530-L564 HydrophobicContact CG2-CD1 4.47Å; T530-L564 HydrophobicContact CG2-CD2 3.85Å; A533-L564 HydrophobicContact CB-CD1 4.19Å; F537-L564 HydrophobicContact CD2-CD1 3.9Å; F537-L564 HydrophobicContact CE2-CD1 3.93Å; E560-L564 WeakPolarHBondContact O-CG 3.35Å; E560-L564 PolarHBondContact O-N 2.91Å; L561-L564 PolarHBondContact O-N 3.04Å; L564-Y566 VanDerWaalsContact C-N 3.29Å; L564-Y566 PolarHBondContact O-N 3.45Å; L564-E567 PolarHBondContact O-N 3.19Å; L564-E568 WeakPolarHBondContact O-CG 3.42Å; L564-E568 PolarHBondContact O-N 3.17Å
565	S	93.3	Very high	93.2	Very high	4 Å²	4	30 Å²	30	3%	0.028	16%	0.158	C	C	.	.	H	α-helix	trans	-61.5	-37.7	178.3	-61.3	0	0	0	0	112.3	L561 E568 G569 E570	L561-S565 PolarHBondContact O-N 2.76Å; L561-S565 PolarHBondContact O-OG 3.24Å; S565-E568 PolarHBondContact O-N 3.08Å; S565-G569 PolarHBondContact O-N 3.45Å; S565-E570 WeakPolarHBondContact O-CA 3.44Å; S565-E570 PolarHBondContact O-N 3.27Å
566	Y	90.5	Very high	93.3	Very high	55 Å²	55	34.9 Å²	34.9	22%	0.216	18%	0.179	C	C	.	.	H	α-helix	trans	-64.7	-43.7	175.7	-179.7	-95.6	0	0	0	112	C562 H563 L564 E568 G569 I571 M600 L604	C562-Y566 VanDerWaalsContact O-CB 3.3Å; C562-Y566 WeakPolarHBondContact O-CB 3.15Å; C562-Y566 PolarHBondContact O-N 3.43Å; H563-Y566 PolarHBondContact O-N 3.41Å; L564-Y566 VanDerWaalsContact C-N 3.29Å; L564-Y566 PolarHBondContact O-N 3.45Å; Y566-E568 VanDerWaalsContact C-N 3.32Å; Y566-E568 PolarHBondContact O-N 3.35Å; Y566-G569 PolarHBondContact O-N 3.42Å; Y566-G569 VanDerWaalsContact O-N 3.14Å; Y566-I571 HydrophobicContact CD2-CD1 3.94Å; Y566-I571 HydrophobicContact CE2-CD1 4.12Å; Y566-M600 HydrophobicContact CD2-SD 4.19Å; Y566-M600 HydrophobicContact CG-CE 4.43Å; Y566-M600 HydrophobicContact CG-SD 4.1Å; Y566-L604 HydrophobicContact CD2-CD2 3.64Å; Y566-L604 HydrophobicContact CD2-CG 4.32Å; Y566-L604 HydrophobicContact CE2-CD2 4.07Å
567	E	86.4	Confident	93.4	Very high	70 Å²	70	35.2 Å²	35.2	33%	0.327	18%	0.181	S	C	.	.	H	α-helix	trans	-66.2	-32.4	178	-73.4	169.6	-169.5	0	0	112.3	V284 R525 H563 L564 G569	V284-E567 HydrophobicContact CG1-CG 4.16Å; V284-E567 WeakPolarHBondContact CG1-OE1 3.23Å; R525-E567 IonicContact NH1-OE1 2.85Å; H563-E567 WeakPolarHBondContact O-CB 3.12Å; H563-E567 VanDerWaalsContact O-CG 3.31Å; H563-E567 WeakPolarHBondContact O-CG 3.43Å; H563-E567 PolarHBondContact O-N 3.17Å; L564-E567 PolarHBondContact O-N 3.19Å; E567-G569 VanDerWaalsContact C-N 3.27Å; E567-G569 PolarHBondContact O-N 3.18Å
568	E	88.7	Confident	93.3	Very high	112 Å²	112	35.5 Å²	35.5	52%	0.523	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-8	173.6	-70.1	179.4	158.2	0	0	113.5	T530 L564 S565 Y566 E570	T530-E568 HydrophobicContact CG2-CG 4.42Å; T530-E568 WeakPolarHBondContact CG2-OE1 3.26Å; L564-E568 WeakPolarHBondContact O-CG 3.42Å; L564-E568 PolarHBondContact O-N 3.17Å; S565-E568 PolarHBondContact O-N 3.08Å; Y566-E568 VanDerWaalsContact C-N 3.32Å; Y566-E568 PolarHBondContact O-N 3.35Å; E568-E570 HydrophobicContact CB-CG 4.4Å
569	G	87.5	Confident	93.2	Very high	49 Å²	49	41.1 Å²	41.1	51%	0.505	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	6.7	-177.5	0	0	0	0	0	114.6	S565 Y566 E567 I571	S565-G569 PolarHBondContact O-N 3.45Å; Y566-G569 PolarHBondContact O-N 3.42Å; Y566-G569 VanDerWaalsContact O-N 3.14Å; E567-G569 VanDerWaalsContact C-N 3.27Å; E567-G569 PolarHBondContact O-N 3.18Å; G569-I571 VanDerWaalsContact C-N 3.28Å; G569-I571 PolarHBondContact O-N 3.26Å
570	E	91.5	Very high	93.3	Very high	103 Å²	103	45 Å²	45	48%	0.481	23%	0.225	S	C	.	.			trans	-80.2	68.7	176.6	-60.5	-165.2	164.1	0	0	111.6	S565 E568 D572 E573 A574	S565-E570 WeakPolarHBondContact O-CA 3.44Å; S565-E570 PolarHBondContact O-N 3.27Å; E568-E570 HydrophobicContact CB-CG 4.4Å; E570-D572 VanDerWaalsContact C-N 3.3Å; E570-D572 PolarHBondContact O-N 3.04Å; E570-E573 HydrophobicContact CB-CB 4.19Å; E570-E573 PolarHBondContact O-N 3.31Å; E570-E573 VanDerWaalsContact O-N 3.14Å; E570-A574 PolarHBondContact O-N 3.48Å
571	I	91.9	Very high	93.4	Very high	23 Å²	23	44.9 Å²	44.9	12%	0.118	23%	0.225	C	C	.	.	H	α-helix	trans	-57.5	-39	-172.6	-57.3	-54.6	0	0	0	113.1	Y566 G569 A574 V575 L604 K608	Y566-I571 HydrophobicContact CD2-CD1 3.94Å; Y566-I571 HydrophobicContact CE2-CD1 4.12Å; G569-I571 VanDerWaalsContact C-N 3.28Å; G569-I571 PolarHBondContact O-N 3.26Å; I571-A574 PolarHBondContact O-N 2.99Å; I571-V575 VanDerWaalsContact O-CG2 3.28Å; I571-V575 WeakPolarHBondContact O-CG2 3.29Å; I571-V575 PolarHBondContact O-N 3.21Å; I571-L604 HydrophobicContact CD1-CD2 4.39Å; I571-L604 HydrophobicContact CG2-CD2 3.97Å; I571-K608 HydrophobicContact CG2-CG 4.37Å
572	D	94	Very high	93.2	Very high	117 Å²	117	47.9 Å²	47.9	63%	0.626	24%	0.24	S	C	*	.	H	α-helix	trans	-68.7	-37.3	-179.9	-71.9	-30.7	0	0	0	112.4	E570 V575 K576	E570-D572 VanDerWaalsContact C-N 3.3Å; E570-D572 PolarHBondContact O-N 3.04Å; D572-V575 PolarHBondContact O-N 2.96Å; D572-K576 WeakPolarHBondContact O-CG 3.23Å; D572-K576 PolarHBondContact O-N 3Å; D572-K576 VanDerWaalsContact O-N 3.15Å
573	E	95.4	Very high	93.2	Very high	50 Å²	50	51.6 Å²	51.6	23%	0.234	27%	0.266	C	S	.	.	H	α-helix	trans	-72.7	-38.1	176.6	-163.4	57.8	-145.2	0	0	111	E570 V575 K576 H577	E570-E573 HydrophobicContact CB-CB 4.19Å; E570-E573 PolarHBondContact O-N 3.31Å; E570-E573 VanDerWaalsContact O-N 3.14Å; E573-V575 VanDerWaalsContact C-N 3.31Å; E573-V575 PolarHBondContact O-N 3.47Å; E573-K576 PolarHBondContact O-N 2.83Å; E573-K576 VanDerWaalsContact O-N 3.16Å; E573-K576 WeakPolarHBondContact OE2-CD 3.42Å; E573-K576 IonicContact OE2-NZ 3.27Å; E573-K576 PolarHBondContact OE2-NZ 3.49Å; E573-H577 PolarHBondContact O-CD2 2.94Å; E573-H577 PolarHBondContact O-N 3.47Å; E573-H577 IonicContact OE1-CD2 3.5Å; E573-H577 IonicContact OE1-NE2 3.47Å
574	A	94.8	Very high	93.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-56.9	-44.1	172	0	0	0	0	0	111.7	C562 E570 I571 H577 L578 L604	C562-A574 PolarHBondContact SG-O 3.36Å; E570-A574 PolarHBondContact O-N 3.48Å; I571-A574 PolarHBondContact O-N 2.99Å; A574-H577 PolarHBondContact O-N 2.95Å; A574-L578 WeakPolarHBondContact O-CB 3.2Å; A574-L578 PolarHBondContact O-N 3.21Å; A574-L604 HydrophobicContact CB-CD2 4.02Å
575	V	95.4	Very high	93.3	Very high	24 Å²	24	60 Å²	60	15%	0.145	30%	0.302	C	S	.	.	H	α-helix	trans	-62.6	-43.1	176.1	171.4	0	0	0	0	111.5	I571 D572 E573 H577 L578 E579 L604	I571-V575 VanDerWaalsContact O-CG2 3.28Å; I571-V575 WeakPolarHBondContact O-CG2 3.29Å; I571-V575 PolarHBondContact O-N 3.21Å; D572-V575 PolarHBondContact O-N 2.96Å; E573-V575 VanDerWaalsContact C-N 3.31Å; E573-V575 PolarHBondContact O-N 3.47Å; V575-H577 PolarHBondContact O-N 3.1Å; V575-L578 WeakPolarHBondContact O-CB 3.46Å; V575-L578 PolarHBondContact O-N 2.7Å; V575-E579 HydrophobicContact CG1-CG 4.47Å; V575-E579 WeakPolarHBondContact O-CG 3.47Å; V575-E579 PolarHBondContact O-N 3.07Å; V575-L604 HydrophobicContact CG2-CD1 4.06Å; V575-L604 HydrophobicContact CG2-CD2 4.23Å
576	K	97.1	Very high	92.9	Very high	102 Å²	102	67.3 Å²	67.3	44%	0.443	34%	0.341	S	S	.	.	H	α-helix	trans	-61	-43.5	176.8	-69.5	176.4	-152.7	155.1	0	112	D572 E573 E579 K580	D572-K576 WeakPolarHBondContact O-CG 3.23Å; D572-K576 PolarHBondContact O-N 3Å; D572-K576 VanDerWaalsContact O-N 3.15Å; E573-K576 PolarHBondContact O-N 2.83Å; E573-K576 VanDerWaalsContact O-N 3.16Å; E573-K576 WeakPolarHBondContact OE2-CD 3.42Å; E573-K576 IonicContact OE2-NZ 3.27Å; E573-K576 PolarHBondContact OE2-NZ 3.49Å; K576-E579 PolarHBondContact O-N 3.23Å; K576-K580 VanDerWaalsContact O-CG 3.28Å; K576-K580 WeakPolarHBondContact O-CG 3.21Å; K576-K580 PolarHBondContact O-N 2.67Å
577	H	97.4	Very high	92.9	Very high	11 Å²	11	65.3 Å²	65.3	5%	0.051	33%	0.333	C	S	.	.	H	α-helix	trans	-65.1	-39.5	176.8	-80.3	-61.7	0	0	0	112.2	E558 C562 E573 A574 V575 E579 K580 A581	E558-H577 IonicContact OE2-CE1 3.26Å; E558-H577 IonicContact OE2-CG 2.89Å; E558-H577 IonicContact OE2-ND1 2.75Å; E558-H577 PolarHBondContact OE2-ND1 3.39Å; C562-H577 HydrophobicContact CB-CB 3.72Å; E573-H577 PolarHBondContact O-CD2 2.94Å; E573-H577 PolarHBondContact O-N 3.47Å; E573-H577 IonicContact OE1-CD2 3.5Å; E573-H577 IonicContact OE1-NE2 3.47Å; A574-H577 PolarHBondContact O-N 2.95Å; V575-H577 PolarHBondContact O-N 3.1Å; H577-E579 PolarHBondContact O-N 3.46Å; H577-K580 PolarHBondContact O-N 3.18Å; H577-A581 PolarHBondContact O-N 3.36Å
578	L	94.9	Very high	92.8	Very high	6 Å²	6	66.1 Å²	66.1	3%	0.031	34%	0.337	C	S	.	.	H	α-helix	trans	-60.6	-45.3	174.1	-169.1	75.4	0	0	0	111.9	M559 A574 V575 A581 L582 I597 M600 D601 L604	M559-L578 HydrophobicContact CE-CD1 4.18Å; M559-L578 HydrophobicContact SD-CD1 3.7Å; A574-L578 WeakPolarHBondContact O-CB 3.2Å; A574-L578 PolarHBondContact O-N 3.21Å; V575-L578 WeakPolarHBondContact O-CB 3.46Å; V575-L578 PolarHBondContact O-N 2.7Å; L578-A581 WeakPolarHBondContact O-CB 3.3Å; L578-A581 PolarHBondContact O-N 3.22Å; L578-L582 PolarHBondContact O-N 3.08Å; L578-I597 HydrophobicContact CD1-CB 4.33Å; L578-I597 HydrophobicContact CD1-CG1 4.38Å; L578-I597 HydrophobicContact CD1-CG2 3.87Å; L578-I597 HydrophobicContact CG-CG2 4.36Å; L578-M600 HydrophobicContact CD1-CB 4.01Å; L578-M600 HydrophobicContact CD1-CG 3.95Å; L578-D601 HydrophobicContact CD2-CB 3.61Å; L578-L604 HydrophobicContact CD2-CD1 3.85Å
579	E	96.1	Very high	92.6	Very high	125 Å²	125	61.6 Å²	61.6	58%	0.584	32%	0.316	S	S	*	.	H	α-helix	trans	-63.6	-40.6	176.4	-73	177.6	177.3	0	0	112.1	V575 K576 H577 L582 S583	V575-E579 HydrophobicContact CG1-CG 4.47Å; V575-E579 WeakPolarHBondContact O-CG 3.47Å; V575-E579 PolarHBondContact O-N 3.07Å; K576-E579 PolarHBondContact O-N 3.23Å; H577-E579 PolarHBondContact O-N 3.46Å; E579-L582 PolarHBondContact O-N 3.18Å; E579-S583 PolarHBondContact O-N 2.97Å
580	K	96.8	Very high	92.6	Very high	82 Å²	82	61.6 Å²	61.6	36%	0.357	30%	0.303	S	S	.	.	H	α-helix	trans	-60.9	-46.3	173.2	-72.3	169.8	-168.8	164.6	0	110.8	E558 K576 H577 L582 S583 Y584	E558-K580 HydrophobicContact CG-CB 4.01Å; E558-K580 WeakPolarHBondContact OE2-CD 3.48Å; K576-K580 VanDerWaalsContact O-CG 3.28Å; K576-K580 WeakPolarHBondContact O-CG 3.21Å; K576-K580 PolarHBondContact O-N 2.67Å; H577-K580 PolarHBondContact O-N 3.18Å; K580-L582 VanDerWaalsContact C-N 3.31Å; K580-L582 PolarHBondContact O-N 2.89Å; K580-S583 WeakPolarHBondContact O-CB 3.41Å; K580-S583 PolarHBondContact O-N 3.41Å; K580-S583 VanDerWaalsContact O-N 3.07Å; K580-S583 PolarHBondContact O-OG 3.27Å; K580-Y584 WeakPolarHBondContact O-CD2 3.5Å; K580-Y584 WeakPolarHBondContact O-CE2 3.48Å
581	A	95.5	Very high	92.2	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-57.7	-42.7	176.8	0	0	0	0	0	112	E558 M559 H577 L578 S583 Y584 I597	E558-A581 HydrophobicContact CB-CB 3.85Å; M559-A581 HydrophobicContact CG-CB 3.8Å; M559-A581 HydrophobicContact SD-CB 3.91Å; H577-A581 PolarHBondContact O-N 3.36Å; L578-A581 WeakPolarHBondContact O-CB 3.3Å; L578-A581 PolarHBondContact O-N 3.22Å; A581-S583 VanDerWaalsContact C-N 3.29Å; A581-S583 PolarHBondContact O-N 3.13Å; A581-Y584 PolarHBondContact O-N 3.39Å; A581-I597 HydrophobicContact CB-CD1 4.21Å; A581-I597 HydrophobicContact CB-CG1 4.48Å
582	L	92.4	Very high	91.9	Very high	66 Å²	66	60.5 Å²	60.5	35%	0.346	30%	0.303	S	S	.	.	H	α-helix	trans	-66.7	-24.4	175.6	-79.4	165.6	0	0	0	114.3	L578 E579 K580 Y584 I597	L578-L582 PolarHBondContact O-N 3.08Å; E579-L582 PolarHBondContact O-N 3.18Å; K580-L582 VanDerWaalsContact C-N 3.31Å; K580-L582 PolarHBondContact O-N 2.89Å; L582-Y584 VanDerWaalsContact C-N 3.3Å; L582-Y584 PolarHBondContact O-N 3.14Å; L582-I597 HydrophobicContact CD1-CG2 3.95Å; L582-I597 HydrophobicContact CD2-CD1 4.22Å; L582-I597 HydrophobicContact CD2-CG2 3.62Å; L582-I597 HydrophobicContact CG-CD1 4.36Å; L582-I597 HydrophobicContact CG-CG2 3.7Å
583	S	94.3	Very high	91.6	Very high	78 Å²	78	54.9 Å²	54.9	55%	0.545	27%	0.273	S	S	.	.	H	α-helix	trans	-72.3	-23.2	-179.7	79	0	0	0	0	113.3	E579 K580 A581	E579-S583 PolarHBondContact O-N 2.97Å; K580-S583 WeakPolarHBondContact O-CB 3.41Å; K580-S583 PolarHBondContact O-N 3.41Å; K580-S583 VanDerWaalsContact O-N 3.07Å; K580-S583 PolarHBondContact O-OG 3.27Å; A581-S583 VanDerWaalsContact C-N 3.29Å; A581-S583 PolarHBondContact O-N 3.13Å
584	Y	93.9	Very high	91.3	Very high	30 Å²	30	54.7 Å²	54.7	12%	0.118	27%	0.272	C	S	.	.			trans	-72.9	142.7	174.9	-67.2	-91	0	0	0	110.5	K544 L554 P555 E558 K580 A581 L582	K544-Y584 HydrophobicContact CD-CE1 4.49Å; K544-Y584 PolarHBondContact NZ-OH 2.99Å; L554-Y584 HydrophobicContact CB-CD1 4.31Å; L554-Y584 HydrophobicContact CB-CE1 3.62Å; L554-Y584 HydrophobicContact CD1-CE1 3.88Å; L554-Y584 HydrophobicContact CG-CE1 4.42Å; P555-Y584 HydrophobicContact CB-CD2 3.7Å; P555-Y584 HydrophobicContact CB-CE2 4.48Å; P555-Y584 HydrophobicContact CB-CG 3.83Å; P555-Y584 HydrophobicContact CG-CD2 4.43Å; P555-Y584 HydrophobicContact CG-CG 4.11Å; E558-Y584 HydrophobicContact CG-CE2 3.96Å; K580-Y584 WeakPolarHBondContact O-CD2 3.5Å; K580-Y584 WeakPolarHBondContact O-CE2 3.48Å; A581-Y584 PolarHBondContact O-N 3.39Å; L582-Y584 VanDerWaalsContact C-N 3.3Å; L582-Y584 PolarHBondContact O-N 3.14Å
585	K	90.9	Very high	90.9	Very high	154 Å²	154	58.1 Å²	58.1	67%	0.67	29%	0.287	S	S	*	.			trans	-139.9	156.9	179.8	-59.9	-173.1	-179.3	-177.9	0	110.5	Y587	K585-Y587 VanDerWaalsContact C-N 3.27Å; K585-Y587 PolarHBondContact O-N 3.26Å
586	N	86.2	Confident	90.5	Very high	156 Å²	156	57.7 Å²	57.7	83%	0.834	28%	0.283	S	S	*	.	S	Bend	trans	60.8	32.7	172.5	-54.6	-36.9	0	0	0	113.7	E590	N586-E590 WeakPolarHBondContact CA-OE2 3.49Å; N586-E590 PolarHBondContact N-OE2 3.13Å
587	Y	89.1	Confident	90.2	Very high	14 Å²	14	53 Å²	53	6%	0.055	26%	0.263	C	S	.	.			trans	-101.5	159.6	175.6	61.1	-83.4	0	0	0	110.7	P555 Y556 K585 E590 L593	P555-Y587 HydrophobicContact CB-CE1 4.27Å; P555-Y587 HydrophobicContact CB-CE2 4.14Å; P555-Y587 HydrophobicContact CG-CD1 3.98Å; P555-Y587 HydrophobicContact CG-CD2 3.53Å; P555-Y587 HydrophobicContact CG-CE1 3.92Å; P555-Y587 HydrophobicContact CG-CE2 3.45Å; P555-Y587 VanDerWaalsContact CG-CE2 3.45Å; P555-Y587 HydrophobicContact CG-CG 3.82Å; Y556-Y587 HydrophobicContact CE2-CE2 4.39Å; K585-Y587 VanDerWaalsContact C-N 3.27Å; K585-Y587 PolarHBondContact O-N 3.26Å; Y587-E590 HydrophobicContact CD1-CB 4.25Å; Y587-E590 HydrophobicContact CD1-CG 4.39Å; Y587-E590 HydrophobicContact CD2-CB 4.03Å; Y587-E590 HydrophobicContact CE1-CB 3.97Å; Y587-E590 HydrophobicContact CE1-CG 3.79Å; Y587-E590 VanDerWaalsContact CE2-CA 3.41Å; Y587-E590 HydrophobicContact CE2-CB 3.76Å; Y587-E590 HydrophobicContact CE2-CG 4.32Å; Y587-E590 HydrophobicContact CG-CB 4.25Å; Y587-E590 VanDerWaalsContact O-CB 3.24Å; Y587-E590 WeakPolarHBondContact O-CB 3.45Å; Y587-E590 PolarHBondContact O-N 3.23Å; Y587-L593 HydrophobicContact CE2-CB 4.26Å; Y587-L593 HydrophobicContact CE2-CD2 3.93Å; Y587-L593 WeakPolarHBondContact OH-CD2 3.48Å
588	H	84	Confident	89.8	Confident	87 Å²	87	53.2 Å²	53.2	40%	0.403	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	151	177	-62.9	-67	0	0	0	111.1	R449 Y552 E590	R449-H588 WeakPolarHBondContact CD-NE2 3.25Å; R449-H588 PolarHBondContact NH1-CD2 2.9Å; Y552-H588 WeakPolarHBondContact CB-O 3.2Å; H588-E590 PolarHBondContact O-N 3.4Å; H588-E590 VanDerWaalsContact O-N 3.11Å
589	L	85.3	Confident	89.4	Confident	17 Å²	17	53.3 Å²	53.3	9%	0.089	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	13.8	-177.2	-58.1	167.6	0	0	0	115	I446 I471 Y552 Y556 S591 R592 L593	I446-L589 HydrophobicContact CD1-CD1 4.06Å; I446-L589 HydrophobicContact CD1-CD2 3.2Å; I446-L589 HydrophobicContact CD1-CG 3.97Å; I446-L589 HydrophobicContact CG1-CD2 3.8Å; I446-L589 HydrophobicContact CG1-CG 4.28Å; I471-L589 HydrophobicContact CD1-CD1 4.13Å; I471-L589 HydrophobicContact CG1-CD1 3.84Å; I471-L589 HydrophobicContact CG2-CD1 4.49Å; I471-L589 HydrophobicContact CG2-CD2 4.48Å; Y552-L589 HydrophobicContact CD2-CD1 4.07Å; Y552-L589 HydrophobicContact CE2-CD1 4.09Å; Y556-L589 HydrophobicContact CE2-CB 3.97Å; Y556-L589 WeakPolarHBondContact OH-CB 3.41Å; Y556-L589 PolarHBondContact OH-O 3.01Å; L589-S591 VanDerWaalsContact C-N 3.34Å; L589-S591 PolarHBondContact O-N 3.12Å; L589-R592 WeakPolarHBondContact O-CB 3.47Å; L589-R592 PolarHBondContact O-N 2.92Å; L589-L593 PolarHBondContact O-N 2.94Å; L589-L593 VanDerWaalsContact O-N 3.13Å
590	E	87.9	Confident	89.1	Confident	48 Å²	48	47.5 Å²	47.5	22%	0.224	24%	0.236	C	C	.	.	H	α-helix	trans	-51.2	-49.2	179.9	172.6	167.2	-168.6	0	0	112.5	N586 Y587 H588 R592 L593 H594	N586-E590 WeakPolarHBondContact CA-OE2 3.49Å; N586-E590 PolarHBondContact N-OE2 3.13Å; Y587-E590 HydrophobicContact CD1-CB 4.25Å; Y587-E590 HydrophobicContact CD1-CG 4.39Å; Y587-E590 HydrophobicContact CD2-CB 4.03Å; Y587-E590 HydrophobicContact CE1-CB 3.97Å; Y587-E590 HydrophobicContact CE1-CG 3.79Å; Y587-E590 VanDerWaalsContact CE2-CA 3.41Å; Y587-E590 HydrophobicContact CE2-CB 3.76Å; Y587-E590 HydrophobicContact CE2-CG 4.32Å; Y587-E590 HydrophobicContact CG-CB 4.25Å; Y587-E590 VanDerWaalsContact O-CB 3.24Å; Y587-E590 WeakPolarHBondContact O-CB 3.45Å; Y587-E590 PolarHBondContact O-N 3.23Å; H588-E590 PolarHBondContact O-N 3.4Å; H588-E590 VanDerWaalsContact O-N 3.11Å; E590-R592 PolarHBondContact O-N 3.25Å; E590-R592 VanDerWaalsContact O-N 3.16Å; E590-L593 PolarHBondContact O-N 3.39Å; E590-L593 VanDerWaalsContact O-N 3.1Å; E590-H594 WeakPolarHBondContact CG-CD2 3.29Å; E590-H594 VanDerWaalsContact CG-NE2 3.3Å; E590-H594 WeakPolarHBondContact CG-NE2 3.44Å; E590-H594 PolarHBondContact O-CD2 3.18Å; E590-H594 PolarHBondContact O-N 3.13Å; E590-H594 IonicContact OE1-CD2 2.82Å; E590-H594 IonicContact OE1-NE2 3.23Å; E590-H594 PolarHBondContact OE1-NE2 3.39Å; E590-H594 VanDerWaalsContact OE1-NE2 3.09Å
591	S	83	Confident	88.8	Confident	67 Å²	67	44.4 Å²	44.4	47%	0.469	22%	0.224	S	C	.	.	H	α-helix	trans	-57	-36	179.6	61.4	0	0	0	0	113.1	L589 F595	L589-S591 VanDerWaalsContact C-N 3.34Å; L589-S591 PolarHBondContact O-N 3.12Å; S591-F595 WeakPolarHBondContact O-CD2 3.42Å
592	R	84.5	Confident	88.3	Confident	36 Å²	36	45.9 Å²	45.9	14%	0.136	23%	0.233	C	C	.	.	H	α-helix	trans	-72.7	-40.3	179.9	-176.7	171	178	74.5	-1.4	111.2	I471 L589 E590 H594 F595	I471-R592 PolarHBondContact O-NE 2.94Å; I471-R592 PolarHBondContact O-NH2 3.36Å; L589-R592 WeakPolarHBondContact O-CB 3.47Å; L589-R592 PolarHBondContact O-N 2.92Å; E590-R592 PolarHBondContact O-N 3.25Å; E590-R592 VanDerWaalsContact O-N 3.16Å; R592-H594 VanDerWaalsContact C-N 3.34Å; R592-F595 PolarHBondContact O-N 3.19Å
593	L	89	Confident	87.9	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66.9	-36.7	175.8	-164.4	64.5	0	0	0	112	P555 Y556 M559 Y587 L589 E590 F595 R596 I597	P555-L593 HydrophobicContact CB-CD2 3.58Å; P555-L593 HydrophobicContact CG-CD2 4.13Å; Y556-L593 HydrophobicContact CD1-CD1 3.76Å; Y556-L593 HydrophobicContact CD2-CB 4.37Å; Y556-L593 HydrophobicContact CD2-CD1 3.98Å; Y556-L593 HydrophobicContact CD2-CD2 3.79Å; Y556-L593 HydrophobicContact CD2-CG 4.27Å; Y556-L593 HydrophobicContact CE1-CD1 3.81Å; Y556-L593 HydrophobicContact CE2-CB 3.81Å; Y556-L593 HydrophobicContact CE2-CD1 4.03Å; Y556-L593 HydrophobicContact CE2-CD2 4.08Å; Y556-L593 HydrophobicContact CE2-CG 4.19Å; Y556-L593 HydrophobicContact CG-CD1 3.87Å; Y556-L593 HydrophobicContact CG-CD2 4.28Å; M559-L593 HydrophobicContact CB-CD1 4.01Å; M559-L593 HydrophobicContact CG-CD1 3.6Å; M559-L593 HydrophobicContact CG-CD2 4.08Å; M559-L593 HydrophobicContact CG-CG 3.97Å; Y587-L593 HydrophobicContact CE2-CB 4.26Å; Y587-L593 HydrophobicContact CE2-CD2 3.93Å; Y587-L593 WeakPolarHBondContact OH-CD2 3.48Å; L589-L593 PolarHBondContact O-N 2.94Å; L589-L593 VanDerWaalsContact O-N 3.13Å; E590-L593 PolarHBondContact O-N 3.39Å; E590-L593 VanDerWaalsContact O-N 3.1Å; L593-F595 PolarHBondContact O-N 3.37Å; L593-R596 WeakPolarHBondContact O-CB 3.21Å; L593-R596 PolarHBondContact O-N 2.92Å; L593-I597 HydrophobicContact CD2-CD1 4.21Å; L593-I597 HydrophobicContact CG-CD1 3.94Å; L593-I597 HydrophobicContact CG-CG1 4.29Å; L593-I597 WeakPolarHBondContact O-CG1 3.4Å; L593-I597 PolarHBondContact O-N 3.14Å
594	H	88.7	Confident	87.7	Confident	45 Å²	45	41.2 Å²	41.2	21%	0.208	20%	0.199	C	C	.	.	H	α-helix	trans	-58.3	-34.2	177.4	-84.2	-75	0	0	0	113.4	P227 E590 R592 H598	P227-H594 HydrophobicContact CB-CB 4.43Å; P227-H594 HydrophobicContact CG-CB 4.5Å; E590-H594 WeakPolarHBondContact CG-CD2 3.29Å; E590-H594 VanDerWaalsContact CG-NE2 3.3Å; E590-H594 WeakPolarHBondContact CG-NE2 3.44Å; E590-H594 PolarHBondContact O-CD2 3.18Å; E590-H594 PolarHBondContact O-N 3.13Å; E590-H594 IonicContact OE1-CD2 2.82Å; E590-H594 IonicContact OE1-NE2 3.23Å; E590-H594 PolarHBondContact OE1-NE2 3.39Å; E590-H594 VanDerWaalsContact OE1-NE2 3.09Å; R592-H594 VanDerWaalsContact C-N 3.34Å; H594-H598 WeakPolarHBondContact O-CB 3.37Å; H594-H598 PolarHBondContact O-N 2.81Å
595	F	85.4	Confident	87.3	Confident	72 Å²	72	44.6 Å²	44.6	32%	0.316	21%	0.214	S	C	.	.	H	α-helix	trans	-64.6	-45.6	172.5	-79.1	-75.4	0	0	0	112	M225 P227 L280 S591 R592 L593 I597 H598 E599	M225-F595 WeakPolarHBondContact O-CD1 3.41Å; M225-F595 WeakPolarHBondContact O-CE1 3.49Å; P227-F595 HydrophobicContact CG-CD1 4.1Å; P227-F595 HydrophobicContact CG-CD2 4.5Å; P227-F595 HydrophobicContact CG-CE1 3.94Å; P227-F595 HydrophobicContact CG-CE2 4.32Å; P227-F595 HydrophobicContact CG-CG 4.38Å; P227-F595 HydrophobicContact CG-CZ 4.04Å; L280-F595 HydrophobicContact CD2-CB 3.78Å; L280-F595 HydrophobicContact CD2-CD1 3.67Å; L280-F595 HydrophobicContact CD2-CG 4.08Å; S591-F595 WeakPolarHBondContact O-CD2 3.42Å; R592-F595 PolarHBondContact O-N 3.19Å; L593-F595 PolarHBondContact O-N 3.37Å; F595-I597 VanDerWaalsContact C-N 3.34Å; F595-I597 PolarHBondContact O-N 3.35Å; F595-H598 PolarHBondContact O-N 3.33Å; F595-E599 PolarHBondContact O-N 3.19Å
596	R	88.2	Confident	86.9	Confident	16 Å²	16	41.5 Å²	41.5	6%	0.06	20%	0.202	C	C	.	.	H	α-helix	trans	-63.3	-40.6	176	-65.8	-179.3	59.2	-173.8	-2.3	112.5	L280 M559 E560 H563 L593 E599 M600	L280-R596 WeakPolarHBondContact O-CA 3.47Å; M559-R596 HydrophobicContact CE-CB 4.11Å; E560-R596 IonicContact OE1-CZ 2.74Å; E560-R596 IonicContact OE1-NH1 2.74Å; E560-R596 PolarHBondContact OE1-NH1 2.99Å; E560-R596 IonicContact OE1-NH2 3.36Å; E560-R596 PolarHBondContact OE1-NH2 3.45Å; H563-R596 PolarHBondContact CD2-NH2 2.91Å; H563-R596 PolarHBondContact NE2-NH2 3.28Å; L593-R596 WeakPolarHBondContact O-CB 3.21Å; L593-R596 PolarHBondContact O-N 2.92Å; R596-E599 PolarHBondContact O-N 3.16Å; R596-M600 PolarHBondContact O-N 3.07Å
597	I	91	Very high	86.8	Confident	4 Å²	4	36 Å²	36	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-60.9	-50.2	175.7	-73.6	163.2	0	0	0	109.9	M559 L578 A581 L582 L593 F595 E599 M600 D601	M559-I597 HydrophobicContact CE-CB 4.45Å; M559-I597 HydrophobicContact CE-CG1 3.9Å; M559-I597 HydrophobicContact CG-CG1 3.98Å; M559-I597 HydrophobicContact SD-CB 4.36Å; M559-I597 HydrophobicContact SD-CD1 4.39Å; M559-I597 HydrophobicContact SD-CG1 3.37Å; M559-I597 WeakPolarHBondContact SD-CG1 3.43Å; L578-I597 HydrophobicContact CD1-CB 4.33Å; L578-I597 HydrophobicContact CD1-CG1 4.38Å; L578-I597 HydrophobicContact CD1-CG2 3.87Å; L578-I597 HydrophobicContact CG-CG2 4.36Å; A581-I597 HydrophobicContact CB-CD1 4.21Å; A581-I597 HydrophobicContact CB-CG1 4.48Å; L582-I597 HydrophobicContact CD1-CG2 3.95Å; L582-I597 HydrophobicContact CD2-CD1 4.22Å; L582-I597 HydrophobicContact CD2-CG2 3.62Å; L582-I597 HydrophobicContact CG-CD1 4.36Å; L582-I597 HydrophobicContact CG-CG2 3.7Å; L593-I597 HydrophobicContact CD2-CD1 4.21Å; L593-I597 HydrophobicContact CG-CD1 3.94Å; L593-I597 HydrophobicContact CG-CG1 4.29Å; L593-I597 WeakPolarHBondContact O-CG1 3.4Å; L593-I597 PolarHBondContact O-N 3.14Å; F595-I597 VanDerWaalsContact C-N 3.34Å; F595-I597 PolarHBondContact O-N 3.35Å; I597-E599 VanDerWaalsContact C-N 3.27Å; I597-E599 PolarHBondContact O-N 2.62Å; I597-M600 PolarHBondContact O-N 3.05Å; I597-D601 VanDerWaalsContact O-CB 3.25Å; I597-D601 WeakPolarHBondContact O-CB 3.39Å; I597-D601 PolarHBondContact O-N 2.98Å
598	H	87.7	Confident	86.4	Confident	15 Å²	15	39.9 Å²	39.9	7%	0.069	19%	0.19	C	C	.	.	H	α-helix	trans	-58.2	-41.3	179.5	177.5	70.4	0	0	0	112	S224 L226 L231 H594 F595 D601 T602	S224-H598 PolarHBondContact O-NE2 3.39Å; S224-H598 VanDerWaalsContact O-NE2 3.13Å; L226-H598 PolarHBondContact O-CD2 3Å; L226-H598 PolarHBondContact O-CE1 3.29Å; L226-H598 PolarHBondContact O-NE2 3.45Å; L231-H598 VanDerWaalsContact CD1-CE1 3.47Å; L231-H598 WeakPolarHBondContact CD1-CE1 3.5Å; H594-H598 WeakPolarHBondContact O-CB 3.37Å; H594-H598 PolarHBondContact O-N 2.81Å; F595-H598 PolarHBondContact O-N 3.33Å; H598-D601 PolarHBondContact O-N 3.4Å; H598-T602 WeakPolarHBondContact O-CB 3.44Å; H598-T602 PolarHBondContact O-N 3.03Å; H598-T602 PolarHBondContact O-OG1 3.28Å
599	E	87.7	Confident	86.3	Confident	7 Å²	7	44 Å²	44	3%	0.033	20%	0.202	C	C	.	.	H	α-helix	trans	-63.2	-50.6	176.7	-169.2	54	-137.4	0	0	112.1	R243 L280 D282 F595 R596 I597 D601 T602 R603	R243-E599 IonicContact CZ-OE1 2.71Å; R243-E599 IonicContact CZ-OE2 3.59Å; R243-E599 VanDerWaalsContact CZ-OE2 3.26Å; R243-E599 IonicContact NH1-OE1 2.67Å; R243-E599 PolarHBondContact NH1-OE1 3.34Å; R243-E599 IonicContact NH1-OE2 2.78Å; R243-E599 PolarHBondContact NH1-OE2 3.28Å; R243-E599 IonicContact NH2-OE1 2.94Å; R243-E599 IonicContact NH2-OE2 3.16Å; R243-E599 PolarHBondContact NH2-OE2 3.47Å; L280-E599 HydrophobicContact CB-CB 4.43Å; L280-E599 HydrophobicContact CB-CG 4.32Å; D282-E599 HydrophobicContact CB-CG 4.26Å; D282-E599 VanDerWaalsContact OD1-OE1 3.09Å; F595-E599 PolarHBondContact O-N 3.19Å; R596-E599 PolarHBondContact O-N 3.16Å; I597-E599 VanDerWaalsContact C-N 3.27Å; I597-E599 PolarHBondContact O-N 2.62Å; E599-D601 VanDerWaalsContact C-N 3.31Å; E599-D601 PolarHBondContact O-N 2.68Å; E599-T602 PolarHBondContact O-N 3.22Å; E599-R603 WeakPolarHBondContact O-CG 3.47Å; E599-R603 PolarHBondContact O-N 2.89Å; E599-R603 VanDerWaalsContact O-N 3.13Å; E599-R603 IonicContact OE1-NE 3.83Å
600	M	89.5	Confident	86	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.015	23%	0.229	C	C	.	.	H	α-helix	trans	-61.2	-39.7	177.9	-178.9	54.6	75.5	0	0	112.5	M559 C562 H563 Y566 L578 R596 I597 T602 R603 L604	M559-M600 HydrophobicContact CE-CB 4.13Å; C562-M600 VanDerWaalsContact SG-CG 3.58Å; H563-M600 WeakPolarHBondContact CE1-CE 3.49Å; H563-M600 WeakPolarHBondContact ND1-CE 3.48Å; Y566-M600 HydrophobicContact CD2-SD 4.19Å; Y566-M600 HydrophobicContact CG-CE 4.43Å; Y566-M600 HydrophobicContact CG-SD 4.1Å; L578-M600 HydrophobicContact CD1-CB 4.01Å; L578-M600 HydrophobicContact CD1-CG 3.95Å; R596-M600 PolarHBondContact O-N 3.07Å; I597-M600 PolarHBondContact O-N 3.05Å; M600-T602 VanDerWaalsContact C-N 3.34Å; M600-T602 PolarHBondContact O-N 3.01Å; M600-R603 PolarHBondContact O-N 3.29Å; M600-L604 HydrophobicContact CG-CD1 3.96Å; M600-L604 HydrophobicContact CG-CG 4.43Å; M600-L604 WeakPolarHBondContact O-CB 3.24Å; M600-L604 WeakPolarHBondContact O-CG 3.34Å; M600-L604 PolarHBondContact O-N 2.98Å; M600-L604 HydrophobicContact SD-CD1 4.31Å; M600-L604 HydrophobicContact SD-CG 4.21Å
601	D	90.3	Very high	85.5	Confident	18 Å²	18	53.6 Å²	53.6	10%	0.096	24%	0.242	C	C	.	.	H	α-helix	trans	-66.3	-37.3	178.9	-156.6	-25.7	0	0	0	112.3	R228 L578 I597 H598 E599 L604 K605	R228-D601 IonicContact CZ-OD1 3.02Å; R228-D601 IonicContact CZ-OD2 2.83Å; R228-D601 IonicContact NE-OD2 3.07Å; R228-D601 PolarHBondContact NE-OD2 2.79Å; R228-D601 IonicContact NH1-OD1 3.46Å; R228-D601 IonicContact NH1-OD2 2.7Å; R228-D601 PolarHBondContact NH1-OD2 2.85Å; R228-D601 IonicContact NH2-OD1 3.28Å; R228-D601 PolarHBondContact NH2-OD1 3.37Å; R228-D601 IonicContact NH2-OD2 3.89Å; R228-D601 PolarHBondContact NH2-OD2 3.28Å; L578-D601 HydrophobicContact CD2-CB 3.61Å; I597-D601 VanDerWaalsContact O-CB 3.25Å; I597-D601 WeakPolarHBondContact O-CB 3.39Å; I597-D601 PolarHBondContact O-N 2.98Å; H598-D601 PolarHBondContact O-N 3.4Å; E599-D601 VanDerWaalsContact C-N 3.31Å; E599-D601 PolarHBondContact O-N 2.68Å; D601-L604 PolarHBondContact O-N 2.94Å; D601-K605 WeakPolarHBondContact O-CB 3.28Å; D601-K605 WeakPolarHBondContact O-CG 3.33Å; D601-K605 PolarHBondContact O-N 2.77Å
602	T	85.3	Confident	85.2	Confident	31 Å²	31	53.3 Å²	53.3	19%	0.19	24%	0.24	C	C	.	.	H	α-helix	trans	-62	-47.1	174.6	-58.7	0	0	0	0	110.2	H598 E599 M600 K605 E606	H598-T602 WeakPolarHBondContact O-CB 3.44Å; H598-T602 PolarHBondContact O-N 3.03Å; H598-T602 PolarHBondContact O-OG1 3.28Å; E599-T602 PolarHBondContact O-N 3.22Å; M600-T602 VanDerWaalsContact C-N 3.34Å; M600-T602 PolarHBondContact O-N 3.01Å; T602-K605 WeakPolarHBondContact O-CB 3.39Å; T602-K605 PolarHBondContact O-N 3.47Å; T602-E606 WeakPolarHBondContact O-CG 2.99Å; T602-E606 PolarHBondContact O-N 3.36Å
603	R	84.5	Confident	84.5	Confident	42 Å²	42	54.9 Å²	54.9	16%	0.158	25%	0.253	C	S	.	.	H	α-helix	trans	-61.5	-46.2	176	-68.6	165.1	164	-137.9	-13.5	113.1	D282 E599 M600 K605 E606 N607	D282-R603 PolarHBondContact O-NH2 2.86Å; D282-R603 IonicContact OD1-CZ 2.66Å; D282-R603 IonicContact OD1-NE 2.71Å; D282-R603 PolarHBondContact OD1-NE 2.82Å; D282-R603 IonicContact OD1-NH2 2.81Å; D282-R603 PolarHBondContact OD1-NH2 3.5Å; D282-R603 IonicContact OD2-NH2 3.85Å; E599-R603 WeakPolarHBondContact O-CG 3.47Å; E599-R603 PolarHBondContact O-N 2.89Å; E599-R603 VanDerWaalsContact O-N 3.13Å; E599-R603 IonicContact OE1-NE 3.83Å; M600-R603 PolarHBondContact O-N 3.29Å; R603-K605 VanDerWaalsContact C-N 3.27Å; R603-K605 PolarHBondContact O-N 3.02Å; R603-E606 PolarHBondContact O-N 3.15Å; R603-N607 WeakPolarHBondContact O-CB 3.47Å; R603-N607 PolarHBondContact O-N 3.01Å
604	L	88.9	Confident	83.4	Confident	3 Å²	3	58.7 Å²	58.7	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-60.2	-38.5	177.7	-76.7	167.1	0	0	0	111.7	Y566 I571 A574 V575 L578 M600 D601 K608	Y566-L604 HydrophobicContact CD2-CD2 3.64Å; Y566-L604 HydrophobicContact CD2-CG 4.32Å; Y566-L604 HydrophobicContact CE2-CD2 4.07Å; I571-L604 HydrophobicContact CD1-CD2 4.39Å; I571-L604 HydrophobicContact CG2-CD2 3.97Å; A574-L604 HydrophobicContact CB-CD2 4.02Å; V575-L604 HydrophobicContact CG2-CD1 4.06Å; V575-L604 HydrophobicContact CG2-CD2 4.23Å; L578-L604 HydrophobicContact CD2-CD1 3.85Å; M600-L604 HydrophobicContact CG-CD1 3.96Å; M600-L604 HydrophobicContact CG-CG 4.43Å; M600-L604 WeakPolarHBondContact O-CB 3.24Å; M600-L604 WeakPolarHBondContact O-CG 3.34Å; M600-L604 PolarHBondContact O-N 2.98Å; M600-L604 HydrophobicContact SD-CD1 4.31Å; M600-L604 HydrophobicContact SD-CG 4.21Å; D601-L604 PolarHBondContact O-N 2.94Å; L604-K608 WeakPolarHBondContact O-CB 2.93Å; L604-K608 WeakPolarHBondContact O-CG 3.45Å; L604-K608 PolarHBondContact O-N 3.44Å
605	K	86.4	Confident	82	Confident	101 Å²	101	59.7 Å²	59.7	44%	0.439	29%	0.286	S	S	.	.	H	α-helix	trans	-66.6	-44.3	174.2	-78.1	176.4	163.9	-176.2	0	112.6	D601 T602 R603 N607 K608 R609	D601-K605 WeakPolarHBondContact O-CB 3.28Å; D601-K605 WeakPolarHBondContact O-CG 3.33Å; D601-K605 PolarHBondContact O-N 2.77Å; T602-K605 WeakPolarHBondContact O-CB 3.39Å; T602-K605 PolarHBondContact O-N 3.47Å; R603-K605 VanDerWaalsContact C-N 3.27Å; R603-K605 PolarHBondContact O-N 3.02Å; K605-N607 VanDerWaalsContact C-N 3.33Å; K605-K608 PolarHBondContact O-N 3.22Å; K605-R609 WeakPolarHBondContact O-CG 3.43Å; K605-R609 PolarHBondContact O-N 3.23Å
606	E	83.2	Confident	80.6	Confident	90 Å²	90	60.3 Å²	60.3	42%	0.421	29%	0.291	S	S	.	.	H	α-helix	trans	-62.1	-42.1	176.5	-73.2	176.2	-173.3	0	0	111.8	T602 R603 R609 R610	T602-E606 WeakPolarHBondContact O-CG 2.99Å; T602-E606 PolarHBondContact O-N 3.36Å; R603-E606 PolarHBondContact O-N 3.15Å; E606-R609 PolarHBondContact O-N 3.18Å; E606-R610 WeakPolarHBondContact O-CG 3.48Å; E606-R610 PolarHBondContact O-N 2.73Å
607	N	82.9	Confident	78.7	Confident	41 Å²	41	64.5 Å²	64.5	22%	0.219	31%	0.311	C	S	.	.	H	α-helix	trans	-63.7	-46.2	177	-163	-24.9	0	0	0	111.2	R603 K605 R609 R610 L611	R603-N607 WeakPolarHBondContact O-CB 3.47Å; R603-N607 PolarHBondContact O-N 3.01Å; K605-N607 VanDerWaalsContact C-N 3.33Å; N607-R609 VanDerWaalsContact C-N 3.32Å; N607-R609 PolarHBondContact O-N 3.28Å; N607-R610 PolarHBondContact O-N 3.31Å; N607-L611 WeakPolarHBondContact O-CG 3.01Å; N607-L611 PolarHBondContact O-N 3.26Å; N607-L611 WeakPolarHBondContact OD1-CD1 3.27Å
608	K	82	Confident	76.5	Confident	95 Å²	95	69.7 Å²	69.7	41%	0.413	34%	0.335	S	S	.	.	H	α-helix	trans	-57.8	-41.5	173.4	-77.1	-176.6	177.2	-171	0	112.8	I571 L604 K605 L611 S612	I571-K608 HydrophobicContact CG2-CG 4.37Å; L604-K608 WeakPolarHBondContact O-CB 2.93Å; L604-K608 WeakPolarHBondContact O-CG 3.45Å; L604-K608 PolarHBondContact O-N 3.44Å; K605-K608 PolarHBondContact O-N 3.22Å; K608-L611 PolarHBondContact O-N 3.14Å; K608-S612 WeakPolarHBondContact O-CB 3.13Å; K608-S612 PolarHBondContact O-N 2.94Å; K608-S612 PolarHBondContact O-OG 3.41Å
609	R	81	Confident	74.6	Confident	173 Å²	173	75 Å²	75	65%	0.653	36%	0.361	S	S	*	.	H	α-helix	trans	-61.6	-49.8	174.9	-74	173.2	178.3	178.8	-3	110.9	K605 E606 N607 L611 S612 T613	K605-R609 WeakPolarHBondContact O-CG 3.43Å; K605-R609 PolarHBondContact O-N 3.23Å; E606-R609 PolarHBondContact O-N 3.18Å; N607-R609 VanDerWaalsContact C-N 3.32Å; N607-R609 PolarHBondContact O-N 3.28Å; R609-L611 PolarHBondContact O-N 3.16Å; R609-S612 PolarHBondContact O-N 3.23Å; R609-S612 PolarHBondContact O-OG 3.02Å; R609-T613 PolarHBondContact O-N 2.98Å; R609-T613 PolarHBondContact O-OG1 3.4Å
610	R	78.8	Confident	72.9	Confident	175 Å²	175	81 Å²	81	66%	0.66	39%	0.389	S	S	*	.	H	α-helix	trans	-57.1	-46.5	177.5	-70.6	177.2	-170.9	-170.6	4.3	112	E606 N607 S612 T613 V614	E606-R610 WeakPolarHBondContact O-CG 3.48Å; E606-R610 PolarHBondContact O-N 2.73Å; N607-R610 PolarHBondContact O-N 3.31Å; R610-S612 PolarHBondContact O-N 2.9Å; R610-T613 PolarHBondContact O-N 3.09Å; R610-V614 WeakPolarHBondContact O-CG2 2.97Å; R610-V614 PolarHBondContact O-N 3.39Å; R610-V614 VanDerWaalsContact O-N 3.08Å
611	L	77.7	Confident	71	Confident	92 Å²	92	88.8 Å²	88.8	48%	0.482	43%	0.425	S	S	.	.	H	α-helix	trans	-61	-44	177.1	-72	166.4	0	0	0	111.8	N607 K608 R609 T613 V614 T615	N607-L611 WeakPolarHBondContact O-CG 3.01Å; N607-L611 PolarHBondContact O-N 3.26Å; N607-L611 WeakPolarHBondContact OD1-CD1 3.27Å; K608-L611 PolarHBondContact O-N 3.14Å; R609-L611 PolarHBondContact O-N 3.16Å; L611-T613 VanDerWaalsContact C-N 3.34Å; L611-T613 PolarHBondContact O-N 2.79Å; L611-V614 PolarHBondContact O-N 3.13Å; L611-T615 PolarHBondContact O-N 3.44Å; L611-T615 VanDerWaalsContact O-N 3.13Å; L611-T615 PolarHBondContact O-OG1 2.85Å; L611-T615 VanDerWaalsContact O-OG1 3.1Å
612	S	76.2	Confident	68.6	Low	61 Å²	61	95.7 Å²	95.7	43%	0.427	46%	0.456	S	S	.	.	H	α-helix	trans	-63.1	-37.4	177.3	68.1	0	0	0	0	113.1	K608 R609 R610 T615 I616	K608-S612 WeakPolarHBondContact O-CB 3.13Å; K608-S612 PolarHBondContact O-N 2.94Å; K608-S612 PolarHBondContact O-OG 3.41Å; R609-S612 PolarHBondContact O-N 3.23Å; R609-S612 PolarHBondContact O-OG 3.02Å; R610-S612 PolarHBondContact O-N 2.9Å; S612-T615 PolarHBondContact O-N 3.19Å; S612-I616 WeakPolarHBondContact O-CG1 3.43Å; S612-I616 PolarHBondContact O-N 2.96Å
613	T	69.7	Low	66.1	Low	69 Å²	69	98.1 Å²	98.1	42%	0.423	48%	0.475	S	S	.	.	H	α-helix	trans	-68.1	-38.5	176.9	-49.3	0	0	0	0	111.8	R609 R610 L611 I616 H617	R609-T613 PolarHBondContact O-N 2.98Å; R609-T613 PolarHBondContact O-OG1 3.4Å; R610-T613 PolarHBondContact O-N 3.09Å; L611-T613 VanDerWaalsContact C-N 3.34Å; L611-T613 PolarHBondContact O-N 2.79Å; T613-I616 PolarHBondContact O-N 3.5Å; T613-H617 PolarHBondContact O-CD2 3.01Å; T613-H617 PolarHBondContact O-N 3.33Å; T613-H617 VanDerWaalsContact O-N 3.15Å
614	V	67.1	Low	63.8	Low	79 Å²	79	101.8 Å²	101.8	48%	0.479	50%	0.504	S	S	.	.	H	α-helix	trans	-64.8	-42.1	176.8	173.8	0	0	0	0	111.4	R610 L611 I616 H617 Q618	R610-V614 WeakPolarHBondContact O-CG2 2.97Å; R610-V614 PolarHBondContact O-N 3.39Å; R610-V614 VanDerWaalsContact O-N 3.08Å; L611-V614 PolarHBondContact O-N 3.13Å; V614-I616 VanDerWaalsContact C-N 3.35Å; V614-I616 PolarHBondContact O-N 3Å; V614-H617 PolarHBondContact O-N 3.37Å; V614-Q618 PolarHBondContact O-N 3Å
615	T	59	Low	61.3	Low	67 Å²	67	108 Å²	108	41%	0.411	54%	0.543	S	S	.	.	H	α-helix	trans	-61.2	-42.5	176.9	-50.6	0	0	0	0	111.8	L611 S612 H617 Q618 E619	L611-T615 PolarHBondContact O-N 3.44Å; L611-T615 VanDerWaalsContact O-N 3.13Å; L611-T615 PolarHBondContact O-OG1 2.85Å; L611-T615 VanDerWaalsContact O-OG1 3.1Å; S612-T615 PolarHBondContact O-N 3.19Å; T615-H617 VanDerWaalsContact C-N 3.33Å; T615-H617 PolarHBondContact O-N 3.28Å; T615-Q618 PolarHBondContact O-N 3.49Å; T615-Q618 VanDerWaalsContact O-N 3.17Å; T615-E619 PolarHBondContact O-N 2.87Å
616	I	55.2	Low	58.8	Low	85 Å²	85	110.7 Å²	110.7	44%	0.436	56%	0.56	S	S	.	*	H	α-helix	trans	-61.9	-40.8	177.1	-66.1	165.4	0	0	0	111.2	S612 T613 V614 Q618 E619 Q620	S612-I616 WeakPolarHBondContact O-CG1 3.43Å; S612-I616 PolarHBondContact O-N 2.96Å; T613-I616 PolarHBondContact O-N 3.5Å; V614-I616 VanDerWaalsContact C-N 3.35Å; V614-I616 PolarHBondContact O-N 3Å; I616-Q618 VanDerWaalsContact C-N 3.33Å; I616-Q618 PolarHBondContact O-N 3.26Å; I616-E619 PolarHBondContact O-N 3.13Å; I616-Q620 WeakPolarHBondContact O-CG 3.46Å; I616-Q620 PolarHBondContact O-N 3.1Å; I616-Q620 VanDerWaalsContact O-N 3.08Å
617	H	49.6	Very low	56.3	Low	103 Å²	103	116.1 Å²	116.1	48%	0.477	58%	0.582	S	S	.	*	H	α-helix	trans	-67.3	-32.1	176.6	-73.9	-53.3	0	0	0	113.1	T613 V614 T615 Q621	T613-H617 PolarHBondContact O-CD2 3.01Å; T613-H617 PolarHBondContact O-N 3.33Å; T613-H617 VanDerWaalsContact O-N 3.15Å; V614-H617 PolarHBondContact O-N 3.37Å; T615-H617 VanDerWaalsContact C-N 3.33Å; T615-H617 PolarHBondContact O-N 3.28Å; H617-Q621 WeakPolarHBondContact O-CG 3.47Å; H617-Q621 PolarHBondContact O-N 2.68Å
618	Q	44.1	Very low	53.9	Low	113 Å²	113	123.5 Å²	123.5	53%	0.528	61%	0.612	S	S	.	*	H	α-helix	trans	-72.5	-40.3	175.2	-71.5	-178.9	-2.9	0	0	112.2	V614 T615 I616 Q621 Q622	V614-Q618 PolarHBondContact O-N 3Å; T615-Q618 PolarHBondContact O-N 3.49Å; T615-Q618 VanDerWaalsContact O-N 3.17Å; I616-Q618 VanDerWaalsContact C-N 3.33Å; I616-Q618 PolarHBondContact O-N 3.26Å; Q618-Q621 PolarHBondContact O-N 3.28Å; Q618-Q622 PolarHBondContact O-N 3.15Å
619	E	48.3	Very low	51.4	Low	128 Å²	128	124 Å²	124	60%	0.598	63%	0.634	S	S	*	*	H	α-helix	trans	-66.7	-37.3	177.2	-72.7	179.6	176.2	0	0	112.3	T615 I616 Q621 Q622	T615-E619 PolarHBondContact O-N 2.87Å; I616-E619 PolarHBondContact O-N 3.13Å; E619-Q621 VanDerWaalsContact C-N 3.26Å; E619-Q621 PolarHBondContact O-N 3.32Å; E619-Q622 PolarHBondContact O-N 2.98Å
620	Q	50.5	Low	48.9	Very low	133 Å²	133	118.9 Å²	118.9	62%	0.621	64%	0.635	S	S	*	*	H	α-helix	trans	-64.6	-29.2	175.4	-74.6	179.3	4	0	0	113	I616	I616-Q620 WeakPolarHBondContact O-CG 3.46Å; I616-Q620 PolarHBondContact O-N 3.1Å; I616-Q620 VanDerWaalsContact O-N 3.08Å
621	Q	50.2	Low	46.5	Very low	166 Å²	166	116.5 Å²	116.5	78%	0.776	65%	0.646	S	S	*	*	H	α-helix	trans	-79	-17.1	176.6	-71.2	-179.9	17.2	0	0	113.7	H617 Q618 E619	H617-Q621 WeakPolarHBondContact O-CG 3.47Å; H617-Q621 PolarHBondContact O-N 2.68Å; Q618-Q621 PolarHBondContact O-N 3.28Å; E619-Q621 VanDerWaalsContact C-N 3.26Å; E619-Q621 PolarHBondContact O-N 3.32Å
622	Q	39.9	Very low	44	Very low	162 Å²	162	120.1 Å²	120.1	76%	0.757	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	2.5	-177.5	-68.4	-174.7	17	0	0	114.4	Q618 E619 P624	Q618-Q622 PolarHBondContact O-N 3.15Å; E619-Q622 PolarHBondContact O-N 2.98Å; Q622-P624 WeakPolarHBondContact O-CD 3.41Å
623	S	32.4	Very low	41.7	Very low	83 Å²	83	127.3 Å²	127.3	58%	0.58	68%	0.679	S	S	*	*	S	Bend	trans	-72.3	118.9	175.1	-66.7	0	0	0	0	110.8	T625	S623-T625 PolarHBondContact O-N 3.26Å
624	P	36.7	Very low	39.6	Very low	118 Å²	118	133.4 Å²	133.4	77%	0.766	70%	0.7	S	S	*	*			trans	-70.5	117.8	-168.7	25.8	-31.7	0	0	0	111.4	Q622 I626	Q622-P624 WeakPolarHBondContact O-CD 3.41Å; P624-I626 PolarHBondContact O-N 3.16Å
625	T	35.9	Very low	37.7	Very low	135 Å²	135	138.1 Å²	138.1	83%	0.828	72%	0.722	S	S	*	*			trans	-62.7	105.6	174.3	-24.9	0	0	0	0	109.5	S623 K627	S623-T625 PolarHBondContact O-N 3.26Å; T625-K627 PolarHBondContact O-N 3.09Å
626	I	34	Very low	36.1	Very low	156 Å²	156	139.1 Å²	139.1	80%	0.8	74%	0.737	S	S	*	*			trans	-64.3	105.1	170.6	-63.3	173.9	0	0	0	107.4	P624 K628	P624-I626 PolarHBondContact O-N 3.16Å; I626-K628 PolarHBondContact O-N 2.96Å
627	K	30.4	Very low	34.6	Very low	205 Å²	205	143.3 Å²	143.3	89%	0.891	76%	0.759	S	S	*	*			trans	-61.5	99.7	173.7	-75.6	-178.8	174.9	179.3	0	109.8	T625	T625-K627 PolarHBondContact O-N 3.09Å
628	K	33.1	Very low	33.5	Very low	195 Å²	195	143.9 Å²	143.9	85%	0.848	77%	0.772	S	S	*	*			trans	-93.1	121.1	155.6	-94.7	-175.2	175.8	178.9	0	108.7	I626	I626-K628 PolarHBondContact O-N 2.96Å
629	A	30	Very low	32.5	Very low	106 Å²	106	143.4 Å²	143.4	88%	0.876	78%	0.781	S	S	*	*			trans	-65.5	138.3	177.1	0	0	0	0	0	111.5
630	G	28.5	Very low	31.5	Very low	66 Å²	66	144.6 Å²	144.6	68%	0.68	79%	0.79	S	S	*	*			trans	120.8	119.1	160.1	0	0	0	0	0	115.2
631	S	28.3	Very low	30.4	Very low	125 Å²	125	148.5 Å²	148.5	87%	0.874	81%	0.805	S	S	*	*			trans	83.3	91.7	168.9	71.8	0	0	0	0	118.2
632	E	24.6	Very low	29.2	Very low	167 Å²	167	145.8 Å²	145.8	78%	0.78	81%	0.805	S	S	*	*			trans	-74.5	132	147.4	-70.9	172.5	156.4	0	0	108.3
633	Y	28.3	Very low	28.5	Very low	212 Å²	212	145.4 Å²	145.4	83%	0.831	81%	0.808	S	S	*	*				-176.9	120	111.3	-91.8	-72.8	0	0	0	110.6
634	F	24.5	Very low	28.2	Very low	198 Å²	198	149.1 Å²	149.1	87%	0.868	82%	0.821	S	S	*	*			trans	-8.3	123.5	158.5	-97.4	-109.2	0	0	0	118.8
635	L	27.2	Very low	27.7	Very low	177 Å²	177	150 Å²	150	93%	0.927	82%	0.82	S	S	*	*			trans	-129.8	130.3	147.3	-83.2	169.3	0	0	0	109.4
636	A	26.4	Very low	27.3	Very low	88 Å²	88	150.8 Å²	150.8	73%	0.727	82%	0.819	S	S	*	*			trans	-63.2	142.2	-172.4	0	0	0	0	0	112.9	P638	A636-P638 WeakPolarHBondContact O-CD 3.18Å
637	L	22.8	Very low	26.9	Very low	173 Å²	173	150.1 Å²	150.1	91%	0.906	82%	0.817	S	S	*	*			trans	-50.6	130.6	175.5	-73.2	134.1	0	0	0	113.2
638	P	26.4	Very low	26.8	Very low	115 Å²	115	148.5 Å²	148.5	75%	0.747	82%	0.818	S	S	*	*			trans	-107.5	123.2	142.4	3.6	17.7	0	0	0	108.9	A636	A636-P638 WeakPolarHBondContact O-CD 3.18Å
639	S	24.8	Very low	26.5	Very low	104 Å²	104	144.2 Å²	144.2	73%	0.727	81%	0.813	S	S	*	*			trans	-47	130	164.4	46.5	0	0	0	0	112.2
640	I	26.7	Very low	26.4	Very low	153 Å²	153	146.1 Å²	146.1	79%	0.785	81%	0.808	S	S	*	*				174.7	110.8	124.8	-82.4	150.4	0	0	0	105.6	S642	I640-S642 PolarHBondContact O-N 3.12Å; I640-S642 VanDerWaalsContact O-N 3.13Å
641	F	26.8	Very low	26.3	Very low	214 Å²	214	151 Å²	151	94%	0.939	82%	0.818	S	S	*	*			trans	-61.6	106.5	174.5	-86	-99.9	0	0	0	109.5
642	S	26	Very low	26.1	Very low	110 Å²	110	154.9 Å²	154.9	77%	0.769	82%	0.82	S	S	*	*			trans	-87.9	117.4	158.4	-84.2	0	0	0	0	108.8	I640 N644	I640-S642 PolarHBondContact O-N 3.12Å; I640-S642 VanDerWaalsContact O-N 3.13Å; S642-N644 PolarHBondContact O-N 2.81Å
643	N	25.6	Very low	26.3	Very low	154 Å²	154	152.2 Å²	152.2	82%	0.824	82%	0.82	S	S	*	*			trans	-24.2	111.9	171.2	-81.1	-25.3	0	0	0	115.3
644	N	25.7	Very low	26.1	Very low	160 Å²	160	149.9 Å²	149.9	86%	0.856	82%	0.82	S	S	*	*			trans	-89.5	99.3	156.9	-106.9	-12.1	0	0	0	108.5	S642 N646	S642-N644 PolarHBondContact O-N 2.81Å; N644-N646 PolarHBondContact O-N 3.23Å; N644-N646 VanDerWaalsContact O-N 3.15Å
645	N	25.3	Very low	25.9	Very low	137 Å²	137	146.2 Å²	146.2	73%	0.733	82%	0.819	S	S	*	*			trans	-63	103.7	161.4	-84.8	-17.6	0	0	0	108.6
646	N	27.4	Very low	25.7	Very low	151 Å²	151	142 Å²	142	81%	0.807	80%	0.804	S	S	*	*			trans	-125	95.4	158.6	-99.1	-13.3	0	0	0	108.9	N644 N648	N644-N646 PolarHBondContact O-N 3.23Å; N644-N646 VanDerWaalsContact O-N 3.15Å; N646-N648 PolarHBondContact O-N 3.33Å
647	N	26.7	Very low	25.7	Very low	142 Å²	142	148 Å²	148	76%	0.759	81%	0.814	S	S	*	*			trans	-56.8	112.8	166.4	-69.1	-28.3	0	0	0	109.5
648	N	27.5	Very low	25.8	Very low	172 Å²	172	149 Å²	149	92%	0.92	81%	0.811	S	S	*	*			trans	-130.6	83.2	155.1	-100.9	-7.9	0	0	0	107.7	N646	N646-N648 PolarHBondContact O-N 3.33Å
649	S	27.8	Very low	25.8	Very low	104 Å²	104	148.8 Å²	148.8	73%	0.727	81%	0.812	S	S	*	*			trans	-91	103.5	171.8	55.3	0	0	0	0	108.9
650	D	26.3	Very low	25.8	Very low	147 Å²	147	150 Å²	150	79%	0.786	82%	0.815	S	S	*	*			trans	-156.2	88.1	159.2	-95.6	-32	0	0	0	108.7
651	N	27.7	Very low	25.7	Very low	167 Å²	167	149.6 Å²	149.6	89%	0.893	81%	0.814	S	S	*	*			trans	-153.8	96.5	154.3	-98.7	-28.5	0	0	0	110.4	S653	N651-S653 PolarHBondContact O-N 3.35Å
652	K	24.6	Very low	25.6	Very low	207 Å²	207	146.9 Å²	146.9	90%	0.9	81%	0.808	S	S	*	*			trans	-62.2	111.8	173.9	-69.6	171.3	177.6	170	0	109.7
653	S	27.8	Very low	25.6	Very low	112 Å²	112	147.6 Å²	147.6	78%	0.783	81%	0.81	S	S	*	*			trans	-114.5	102.8	165.8	53.9	0	0	0	0	111.1	N651 S655	N651-S653 PolarHBondContact O-N 3.35Å; S653-S655 PolarHBondContact O-N 2.76Å
654	I	23.2	Very low	25.7	Very low	162 Å²	162	145 Å²	145	83%	0.831	80%	0.804	S	S	*	*			trans	-1.4	102.2	158.8	-58.1	161.3	0	0	0	115.4
655	S	21.8	Very low	25.7	Very low	121 Å²	121	144.1 Å²	144.1	85%	0.846	80%	0.799	S	S	*	*			trans	-102.8	99.8	162.6	54.5	0	0	0	0	109.8	S653	S653-S655 PolarHBondContact O-N 2.76Å
656	S	23.1	Very low	25.8	Very low	88 Å²	88	149.2 Å²	149.2	62%	0.615	81%	0.81	S	S	*	*			trans	-152.6	90.2	165.9	57.9	0	0	0	0	111.7
657	F	24.9	Very low	25.9	Very low	214 Å²	214	146.8 Å²	146.8	94%	0.939	81%	0.805	S	S	*	*			trans	-135.3	96.8	153	-93.5	-80.4	0	0	0	108.6
658	K	26	Very low	25.9	Very low	194 Å²	194	145.8 Å²	145.8	84%	0.843	81%	0.809	S	S	*	*			trans	-64.2	138.7	165.9	-78.7	-178.7	174.4	179.2	0	109	V660	K658-V660 PolarHBondContact O-N 3.14Å
659	S	25.3	Very low	26	Very low	111 Å²	111	142.9 Å²	142.9	78%	0.776	80%	0.802	S	S	*	*			trans	-42.4	127.9	167.3	28.8	0	0	0	0	111.8
660	V	24.5	Very low	25.8	Very low	129 Å²	129	144.3 Å²	144.3	78%	0.782	81%	0.807	S	S	*	*			trans	-92.9	114.9	173.3	174.1	0	0	0	0	107.8	K658	K658-V660 PolarHBondContact O-N 3.14Å
661	D	26.1	Very low	25.9	Very low	145 Å²	145	143.2 Å²	143.2	78%	0.775	81%	0.811	S	S	*	*			trans	-61.9	139	171.7	-71	-50.3	0	0	0	111.4	P663	D661-P663 WeakPolarHBondContact O-CD 3.2Å
662	I	23.9	Very low	25.8	Very low	158 Å²	158	141.1 Å²	141.1	81%	0.81	80%	0.804	S	S	*	*			trans	-70.7	120.1	179.5	-60.6	168.8	0	0	0	108.6	S664	I662-S664 PolarHBondContact O-N 3.01Å; I662-S664 VanDerWaalsContact O-N 3.11Å
663	P	26.2	Very low	25.8	Very low	124 Å²	124	136 Å²	136	81%	0.805	79%	0.794	S	S	*	*			trans	-73.8	108.7	176.8	-0	14.3	0	0	0	109.7	D661	D661-P663 WeakPolarHBondContact O-CD 3.2Å
664	S	27.9	Very low	25.7	Very low	99 Å²	99	137.1 Å²	137.1	69%	0.692	80%	0.797	S	S	*	*			trans	-87.1	114.4	158.2	46.7	0	0	0	0	107.5	I662	I662-S664 PolarHBondContact O-N 3.01Å; I662-S664 VanDerWaalsContact O-N 3.11Å
665	N	26.3	Very low	25.7	Very low	143 Å²	143	134.2 Å²	134.2	77%	0.765	79%	0.791	S	S	*	*			trans	155.8	85.8	152.7	-79.2	-19.8	0	0	0	109.9
666	Y	27.3	Very low	26	Very low	243 Å²	243	137 Å²	137	95%	0.953	80%	0.795	S	S	*	*			trans	-104.4	84.2	146.7	-93.3	-84.6	0	0	0	106.9	S668	Y666-S668 PolarHBondContact O-N 3.5Å
667	S	28.2	Very low	25.9	Very low	100 Å²	100	138.6 Å²	138.6	70%	0.699	80%	0.801	S	S	*	*			trans	-76.9	110.3	161.9	41.4	0	0	0	0	107.7	S669	S667-S669 PolarHBondContact O-N 3.27Å
668	S	27.2	Very low	26.2	Very low	122 Å²	122	136.7 Å²	136.7	85%	0.853	80%	0.8	S	S	*	*			trans	-57.1	110.4	172.1	50.4	0	0	0	0	110.5	Y666	Y666-S668 PolarHBondContact O-N 3.5Å
669	S	28.9	Very low	26.5	Very low	111 Å²	111	132.3 Å²	132.3	78%	0.776	79%	0.792	S	S	*	*			trans	-93.2	108.6	167.2	39	0	0	0	0	109.5	S667	S667-S669 PolarHBondContact O-N 3.27Å
670	T	24.4	Very low	26.4	Very low	134 Å²	134	132.6 Å²	132.6	82%	0.822	79%	0.793	S	S	*	*			trans	-12	119.2	152.6	40.8	0	0	0	0	117.1
671	S	29.6	Very low	26.7	Very low	124 Å²	124	131.8 Å²	131.8	87%	0.867	79%	0.793	S	S	*	*			trans	-127	128.5	145.6	57.1	0	0	0	0	109.4
672	T	25.1	Very low	26.6	Very low	122 Å²	122	130.4 Å²	130.4	75%	0.748	80%	0.795	S	S	*	*			trans	-90.8	151.3	-163.8	33.2	0	0	0	0	113.3
673	S	23.2	Very low	26.9	Very low	99 Å²	99	130.8 Å²	130.8	69%	0.692	80%	0.798	S	S	*	*			trans	63.5	120.6	146	65.5	0	0	0	0	117.7
674	T	27.4	Very low	27	Very low	137 Å²	137	131.2 Å²	131.2	84%	0.84	80%	0.799	S	S	*	*				-166.5	153.2	66.2	16.5	0	0	0	0	112.1
675	S	22.7	Very low	26.9	Very low	100 Å²	100	136.1 Å²	136.1	70%	0.699	81%	0.807	S	S	*	*			trans	-57.8	137.7	-174.9	53.5	0	0	0	0	116.7
676	L	27.2	Very low	27	Very low	181 Å²	181	135.6 Å²	135.6	95%	0.948	81%	0.81	S	S	*	*			trans	-136.1	112.6	143.3	-85.2	166.7	0	0	0	109
677	T	22.2	Very low	26.9	Very low	121 Å²	121	129.9 Å²	129.9	74%	0.742	80%	0.8	S	S	*	*			trans	-78.7	141.6	175.1	36.8	0	0	0	0	111.7
678	L	29.7	Very low	26.8	Very low	173 Å²	173	131 Å²	131	91%	0.906	80%	0.803	S	S	*	*			trans	-173.9	156.5	144.7	-93.8	144.3	0	0	0	109.1
679	P	32.9	Very low	26.7	Very low	103 Å²	103	131 Å²	131	67%	0.669	80%	0.798	S	S	*	*				-119	155.2	-128.6	39.6	-27.6	0	0	0	115.3
680	S	23.6	Very low	26.7	Very low	116 Å²	116	132.3 Å²	132.3	81%	0.811	80%	0.801	S	S	*	*			trans	28.7	105.9	145.3	63.6	0	0	0	0	119.3
681	S	30.4	Very low	26.9	Very low	112 Å²	112	132.1 Å²	132.1	78%	0.783	80%	0.8	S	S	*	*			trans	-130.1	112.7	140.7	61.1	0	0	0	0	108.7	L683	S681-L683 PolarHBondContact O-N 3.33Å
682	S	24.4	Very low	26.8	Very low	116 Å²	116	129.7 Å²	129.7	81%	0.811	80%	0.795	S	S	*	*			trans	-57.3	118.8	177.8	49.8	0	0	0	0	112.7
683	L	30	Very low	26.9	Very low	167 Å²	167	130.4 Å²	130.4	87%	0.874	80%	0.799	S	S	*	*			trans	-121.6	128.6	148.8	-103	92.3	0	0	0	109.7	S681	S681-L683 PolarHBondContact O-N 3.33Å
684	T	28.2	Very low	27.1	Very low	133 Å²	133	135.7 Å²	135.7	82%	0.816	81%	0.809	S	S	*	*			trans	-54	130.4	-172.5	33.3	0	0	0	0	114.1	T686	T684-T686 PolarHBondContact O-N 3.43Å
685	K	26.6	Very low	27.1	Very low	201 Å²	201	132.4 Å²	132.4	87%	0.874	80%	0.803	S	S	*	*			trans	-62	118	171.3	-73.4	173.4	173.5	175.9	0	111
686	T	28.3	Very low	27.3	Very low	133 Å²	133	132.5 Å²	132.5	82%	0.816	81%	0.809	S	S	*	*			trans	-90.4	109	157.5	-21.5	0	0	0	0	107.5	T684 T688	T684-T686 PolarHBondContact O-N 3.43Å; T686-T688 PolarHBondContact O-N 3.31Å
687	T	24.2	Very low	27.4	Very low	122 Å²	122	132.2 Å²	132.2	75%	0.748	81%	0.808	S	S	*	*			trans	-76.8	101.4	-178.1	-47.6	0	0	0	0	109.4
688	T	27.4	Very low	27.7	Very low	123 Å²	123	131.5 Å²	131.5	76%	0.755	81%	0.808	S	S	*	*			trans	-101.3	101.8	168.5	-24.4	0	0	0	0	108.5	T686 T690	T686-T688 PolarHBondContact O-N 3.31Å; T688-T690 PolarHBondContact O-N 2.83Å; T688-T690 VanDerWaalsContact O-N 3.15Å
689	T	24.7	Very low	27.7	Very low	122 Å²	122	127.6 Å²	127.6	75%	0.748	80%	0.8	S	S	*	*			trans	-60.2	106.2	173.5	29.5	0	0	0	0	110.8	T691	T689-T691 PolarHBondContact O-N 2.87Å
690	T	28.2	Very low	27.5	Very low	139 Å²	139	133.5 Å²	133.5	85%	0.853	81%	0.809	S	S	*	*			trans	-85.4	100.5	167.5	27.2	0	0	0	0	109.6	T688 G692	T688-T690 PolarHBondContact O-N 2.83Å; T688-T690 VanDerWaalsContact O-N 3.15Å; T690-G692 PolarHBondContact O-N 3.36Å; T690-G692 VanDerWaalsContact O-N 3.12Å
691	T	28	Very low	27.5	Very low	130 Å²	130	135.4 Å²	135.4	80%	0.798	81%	0.81	S	S	*	*			trans	-67.5	101.3	166.9	43.3	0	0	0	0	109.5	T689 V693	T689-T691 PolarHBondContact O-N 2.87Å; T691-V693 PolarHBondContact O-N 3.2Å
692	G	27.6	Very low	27.4	Very low	74 Å²	74	136.9 Å²	136.9	76%	0.763	81%	0.809	S	S	*	*			trans	-74	105.3	173.1	0	0	0	0	0	111.4	T690 K694	T690-G692 PolarHBondContact O-N 3.36Å; T690-G692 VanDerWaalsContact O-N 3.12Å; G692-K694 PolarHBondContact O-N 3.49Å
693	V	28.3	Very low	27.4	Very low	136 Å²	136	136.5 Å²	136.5	82%	0.824	81%	0.806	S	S	*	*			trans	-86.3	98.9	166.5	179.5	0	0	0	0	107.8	T691 G695	T691-V693 PolarHBondContact O-N 3.2Å; V693-G695 PolarHBondContact O-N 2.97Å
694	K	26.6	Very low	27.4	Very low	211 Å²	211	136.9 Å²	136.9	92%	0.917	80%	0.803	S	S	*	*			trans	-76.1	90.3	168.4	-80.4	-177.9	174.5	178.8	0	109.1	G692 A696	G692-K694 PolarHBondContact O-N 3.49Å; K694-A696 PolarHBondContact O-N 3.25Å
695	G	28.5	Very low	27.3	Very low	68 Å²	68	135.9 Å²	135.9	70%	0.701	80%	0.802	S	S	*	*			trans	-79.5	100.9	166.6	0	0	0	0	0	110.3	V693 L697	V693-G695 PolarHBondContact O-N 2.97Å; G695-L697 PolarHBondContact O-N 2.74Å
696	A	26.8	Very low	27.2	Very low	101 Å²	101	135.7 Å²	135.7	84%	0.835	80%	0.801	S	S	*	*			trans	-73.6	103.5	173.6	0	0	0	0	0	110.2	K694 S698	K694-A696 PolarHBondContact O-N 3.25Å; A696-S698 PolarHBondContact O-N 3.16Å
697	L	28.8	Very low	27.1	Very low	175 Å²	175	136.5 Å²	136.5	92%	0.916	80%	0.8	S	S	*	*			trans	-90.2	97.2	166.3	-79.9	163.2	0	0	0	108.5	G695 A699	G695-L697 PolarHBondContact O-N 2.74Å; L697-A699 PolarHBondContact O-N 3.43Å
698	S	28.8	Very low	27.1	Very low	106 Å²	106	135.7 Å²	135.7	74%	0.741	80%	0.799	S	S	*	*			trans	-67.7	112.1	172.5	59.6	0	0	0	0	110	A696 R700	A696-S698 PolarHBondContact O-N 3.16Å; S698-R700 PolarHBondContact O-N 3.35Å; S698-R700 VanDerWaalsContact O-N 3.1Å
699	A	29.3	Very low	27	Very low	91 Å²	91	134.8 Å²	134.8	75%	0.752	80%	0.799	S	S	*	*			trans	-66	103.6	168.8	0	0	0	0	0	109.6	L697 N701	L697-A699 PolarHBondContact O-N 3.43Å; A699-N701 PolarHBondContact O-N 2.88Å
700	R	28.1	Very low	27	Very low	227 Å²	227	135.4 Å²	135.4	86%	0.857	80%	0.802	S	S	*	*			trans	-75.7	104.1	167.9	-104.4	178.7	173.4	165.5	-2	108.3	S698 L702	S698-R700 PolarHBondContact O-N 3.35Å; S698-R700 VanDerWaalsContact O-N 3.1Å; R700-L702 PolarHBondContact O-N 2.98Å; R700-L702 VanDerWaalsContact O-N 3.16Å
701	N	24.3	Very low	26.8	Very low	156 Å²	156	136.7 Å²	136.7	83%	0.834	80%	0.798	S	S	*	*			trans	-62.6	105.8	166.1	-75.9	-30.3	0	0	0	109.5	A699	A699-N701 PolarHBondContact O-N 2.88Å
702	L	29	Very low	26.6	Very low	143 Å²	143	136.5 Å²	136.5	75%	0.749	80%	0.797	S	S	*	*			trans	-102.6	92.2	164	-98.3	137.6	0	0	0	108.2	R700 H704	R700-L702 PolarHBondContact O-N 2.98Å; R700-L702 VanDerWaalsContact O-N 3.16Å; L702-H704 PolarHBondContact O-N 3.48Å
703	S	23.3	Very low	26.5	Very low	109 Å²	109	140.2 Å²	140.2	76%	0.762	80%	0.798	S	S	*	*			trans	-72.6	107.8	164.8	52	0	0	0	0	108.9
704	H	29.6	Very low	26.3	Very low	174 Å²	174	138.5 Å²	138.5	81%	0.806	79%	0.793	S	S	*	*			trans	-125.8	142.8	162.9	-91.1	41.6	0	0	0	110.5	L702	L702-H704 PolarHBondContact O-N 3.48Å
705	S	27.2	Very low	26.3	Very low	113 Å²	113	136.6 Å²	136.6	79%	0.79	79%	0.791	S	S	*	*			trans	-72.6	147.2	-153.3	53.3	0	0	0	0	115.6
706	K	24.7	Very low	26.3	Very low	196 Å²	196	138.6 Å²	138.6	85%	0.852	79%	0.79	S	S	*	*			trans	-51.6	132.6	160.1	-65.3	174.2	174.3	176.8	0	111.8
707	N	26.2	Very low	26.4	Very low	150 Å²	150	139.2 Å²	139.2	80%	0.802	79%	0.788	S	S	*	*			trans	-176.1	99	144.8	-92.2	-9.4	0	0	0	106.3
708	S	24.3	Very low	26.5	Very low	105 Å²	105	136.7 Å²	136.7	73%	0.734	78%	0.776	S	S	*	*				81.1	83.5	87.8	71	0	0	0	0	113.9
709	S	24.9	Very low	26.9	Very low	105 Å²	105	135.2 Å²	135.2	73%	0.734	77%	0.77	S	S	*	*			trans	-175.7	104.2	139.6	42	0	0	0	0	107.7	E711	S709-E711 VanDerWaalsContact C-N 3.25Å; S709-E711 PolarHBondContact O-N 2.87Å
710	V	24.4	Very low	27.3	Very low	135 Å²	135	138.7 Å²	138.7	82%	0.818	76%	0.764	S	S	*	*			trans	-73.6	86.4	171.7	177.8	0	0	0	0	106.3	T712	V710-T712 HydrophobicContact CG1-CG2 4.16Å; V710-T712 PolarHBondContact O-N 3.37Å
711	E	25.1	Very low	28.2	Very low	165 Å²	165	133.8 Å²	133.8	77%	0.771	75%	0.745	S	S	*	*			trans	-73.5	100.6	157.8	-83.3	-178	164.9	0	0	106.5	S709 L713	S709-E711 VanDerWaalsContact C-N 3.25Å; S709-E711 PolarHBondContact O-N 2.87Å; E711-L713 PolarHBondContact O-N 2.96Å
712	T	23.1	Very low	29.4	Very low	126 Å²	126	129 Å²	129	77%	0.773	72%	0.717	S	S	*	*			trans	-60.6	85.1	166	33.7	0	0	0	0	108.7	V710 S714	V710-T712 HydrophobicContact CG1-CG2 4.16Å; V710-T712 PolarHBondContact O-N 3.37Å; T712-S714 PolarHBondContact O-N 3.2Å
713	L	25.3	Very low	30.4	Very low	152 Å²	152	123.3 Å²	123.3	80%	0.796	69%	0.687	S	S	*	*			trans	-61.2	102.6	161.7	-82.8	156.6	0	0	0	107.2	E711 L715	E711-L713 PolarHBondContact O-N 2.96Å; L713-L715 PolarHBondContact O-N 2.81Å
714	S	24	Very low	31.4	Very low	101 Å²	101	122 Å²	122	71%	0.706	67%	0.671	S	S	*	*			trans	-60.2	100.3	167.8	53.7	0	0	0	0	108	T712 T716	T712-S714 PolarHBondContact O-N 3.2Å; S714-T716 PolarHBondContact O-N 2.71Å
715	L	26.1	Very low	32.1	Very low	170 Å²	170	120 Å²	120	89%	0.89	66%	0.662	S	S	*	*			trans	-66.6	85.7	169.9	-74.4	160.3	0	0	0	108.3	L713 S717	L713-L715 PolarHBondContact O-N 2.81Å; L715-S717 PolarHBondContact O-N 3.31Å
716	T	28	Very low	32.7	Very low	110 Å²	110	119.9 Å²	119.9	68%	0.675	65%	0.652	S	S	*	*			trans	-65.7	109.4	162	47.3	0	0	0	0	106.6	S714 D718	S714-T716 PolarHBondContact O-N 2.71Å; T716-D718 PolarHBondContact O-N 3.29Å
717	S	30.6	Very low	33.1	Very low	114 Å²	114	113.5 Å²	113.5	80%	0.797	63%	0.628	S	S	*	*			trans	-75.3	61.1	179.2	66.6	0	0	0	0	111	L715	L715-S717 PolarHBondContact O-N 3.31Å
718	D	29.5	Very low	33.5	Very low	122 Å²	122	109 Å²	109	65%	0.652	60%	0.603	S	S	*	*			trans	-103.9	82.2	165.8	-70.7	-21.6	0	0	0	106.3	T716 R720	T716-D718 PolarHBondContact O-N 3.29Å; D718-R720 HydrophobicContact CB-CG 4.42Å; D718-R720 PolarHBondContact O-N 3.21Å
719	A	37.6	Very low	34.1	Very low	76 Å²	76	110.4 Å²	110.4	63%	0.628	60%	0.603	S	S	*	*			trans	-64.1	86.5	163.9	0	0	0	0	0	106.9
720	R	37	Very low	34.5	Very low	164 Å²	164	112.6 Å²	112.6	62%	0.619	61%	0.606	S	S	*	*			trans	-63.5	141.1	-179.6	-68.8	-171.7	-176.4	174.7	-1.8	109.8	D718 F722 D727	D718-R720 HydrophobicContact CB-CG 4.42Å; D718-R720 PolarHBondContact O-N 3.21Å; R720-F722 PolarHBondContact O-N 2.82Å; R720-D727 WeakPolarHBondContact CD-OD2 3.4Å; R720-D727 IonicContact NE-OD2 3.83Å; R720-D727 IonicContact NH1-OD1 3.63Å; R720-D727 IonicContact NH1-OD2 3.98Å; R720-D727 PolarHBondContact NH1-OD2 2.59Å
721	R	48.8	Very low	35.1	Very low	123 Å²	123	113.5 Å²	113.5	46%	0.464	61%	0.607	S	S	.	*			trans	-68.8	123.6	-174	-66.3	170.8	166.8	164.6	-4.6	109.4	D242 F723 D724	D242-R721 IonicContact OD2-CZ 2.73Å; D242-R721 IonicContact OD2-NE 3.28Å; D242-R721 PolarHBondContact OD2-NE 3.26Å; D242-R721 IonicContact OD2-NH2 3.94Å; D242-R721 PolarHBondContact OD2-NH2 3.39Å; R721-F723 PolarHBondContact O-N 3.08Å; R721-D724 HydrophobicContact CB-CB 3.98Å; R721-D724 VanDerWaalsContact CB-CG 3.49Å; R721-D724 WeakPolarHBondContact CB-OD2 3.41Å; R721-D724 WeakPolarHBondContact CD-OD1 3.43Å; R721-D724 WeakPolarHBondContact CD-OD2 3.37Å; R721-D724 WeakPolarHBondContact O-CB 3.42Å; R721-D724 PolarHBondContact O-N 2.96Å
722	F	48.6	Very low	35.4	Very low	56 Å²	56	111.6 Å²	111.6	25%	0.246	60%	0.602	C	S	.	*	T	Hydrogen-bonded Turn	trans	-64.6	-12.9	-176.8	-113.9	-106.4	0	0	0	115.1	R188 G238 R720 L728	R188-F722 VanDerWaalsContact CZ-CD1 3.4Å; R188-F722 VanDerWaalsContact NH2-CD1 3.27Å; G238-F722 WeakPolarHBondContact O-CE1 3.35Å; G238-F722 VanDerWaalsContact O-CE2 3.3Å; G238-F722 WeakPolarHBondContact O-CE2 3.47Å; G238-F722 WeakPolarHBondContact O-CZ 3.4Å; R720-F722 PolarHBondContact O-N 2.82Å; F722-L728 HydrophobicContact CD1-CD2 4.26Å; F722-L728 HydrophobicContact CE1-CD2 3.59Å; F722-L728 HydrophobicContact CZ-CD2 3.94Å
723	F	49.5	Very low	35.7	Very low	23 Å²	23	113 Å²	113	10%	0.101	60%	0.6	C	S	.	*	T	Hydrogen-bonded Turn	trans	-107.5	-0.1	175.3	-67.5	-80.4	0	0	0	113.5	Y184 R188 W191 V216 N220 F245 R721	Y184-F723 AromaticContact CE2-CE2 3.94Å; Y184-F723 HydrophobicContact CE2-CE2 3.94Å; Y184-F723 HydrophobicContact CE2-CZ 4.02Å; R188-F723 HydrophobicContact CG-CE1 4.04Å; R188-F723 HydrophobicContact CG-CZ 4.1Å; W191-F723 HydrophobicContact CB-CD1 4.3Å; W191-F723 HydrophobicContact CB-CE1 4.12Å; W191-F723 AromaticContact CD1-CD1 3.78Å; W191-F723 AromaticContact CD2-CD1 3.98Å; W191-F723 HydrophobicContact CD2-CD1 3.98Å; W191-F723 HydrophobicContact CD2-CE1 4.41Å; W191-F723 AromaticContact CG-CD1 3.76Å; W191-F723 HydrophobicContact CG-CD1 3.76Å; W191-F723 HydrophobicContact CG-CE1 4.06Å; W191-F723 AromaticContact NE1-CD1 3.97Å; V216-F723 HydrophobicContact CG1-CD1 4.25Å; V216-F723 HydrophobicContact CG1-CD2 4.31Å; V216-F723 HydrophobicContact CG1-CE1 3.96Å; V216-F723 HydrophobicContact CG1-CE2 4.04Å; V216-F723 HydrophobicContact CG1-CG 4.42Å; V216-F723 HydrophobicContact CG1-CZ 3.85Å; V216-F723 HydrophobicContact CG2-CE1 3.93Å; V216-F723 HydrophobicContact CG2-CZ 4.06Å; N220-F723 WeakPolarHBondContact ND2-CE2 3.37Å; F245-F723 HydrophobicContact CE1-CB 3.95Å; F245-F723 HydrophobicContact CE1-CD2 4.01Å; F245-F723 HydrophobicContact CE1-CG 4.06Å; F245-F723 HydrophobicContact CZ-CB 3.95Å; F245-F723 HydrophobicContact CZ-CG 4.38Å; R721-F723 PolarHBondContact O-N 3.08Å
724	D	45.6	Very low	35.8	Very low	81 Å²	81	111.5 Å²	111.5	43%	0.433	60%	0.597	S	S	.	*	S	Bend	trans	-73	161.5	171.6	-82.5	-0	0	0	0	111	R721 D726	R721-D724 HydrophobicContact CB-CB 3.98Å; R721-D724 VanDerWaalsContact CB-CG 3.49Å; R721-D724 WeakPolarHBondContact CB-OD2 3.41Å; R721-D724 WeakPolarHBondContact CD-OD1 3.43Å; R721-D724 WeakPolarHBondContact CD-OD2 3.37Å; R721-D724 WeakPolarHBondContact O-CB 3.42Å; R721-D724 PolarHBondContact O-N 2.96Å; D724-D726 VanDerWaalsContact C-N 3.33Å; D724-D726 PolarHBondContact O-N 3.31Å
725	E	43.7	Very low	35.8	Very low	134 Å²	134	114.8 Å²	114.8	63%	0.626	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-14.8	-148.3	-67.2	-157.3	111.9	0	0	118.2	R134 K195	R134-E725 PolarHBondContact NH1-O 2.99Å; K195-E725 IonicContact NZ-OE1 2.8Å; K195-E725 PolarHBondContact NZ-OE1 3.08Å
726	D	38.8	Very low	35.8	Very low	109 Å²	109	113.8 Å²	113.8	58%	0.583	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.9	9.6	-173	-76.4	-45.5	0	0	0	118.1	R134 D724	R134-D726 IonicContact CZ-OD1 3.47Å; R134-D726 IonicContact NH1-OD1 3.25Å; R134-D726 PolarHBondContact NH1-OD1 2.9Å; R134-D726 IonicContact NH2-OD1 2.74Å; R134-D726 PolarHBondContact NH2-OD1 3.39Å; D724-D726 VanDerWaalsContact C-N 3.33Å; D724-D726 PolarHBondContact O-N 3.31Å
727	D	34	Very low	35.7	Very low	63 Å²	63	114.9 Å²	114.9	34%	0.337	59%	0.593	S	S	.	*			trans	-104.2	95.5	-173.1	-73.3	-22.8	0	0	0	114.4	R720	R720-D727 WeakPolarHBondContact CD-OD2 3.4Å; R720-D727 IonicContact NE-OD2 3.83Å; R720-D727 IonicContact NH1-OD1 3.63Å; R720-D727 IonicContact NH1-OD2 3.98Å; R720-D727 PolarHBondContact NH1-OD2 2.59Å
728	L	35	Very low	35.4	Very low	55 Å²	55	116 Å²	116	29%	0.288	59%	0.59	S	S	.	*			trans	-150.1	83.5	140.4	-80.8	-169.6	0	0	0	109.4	R188 R192 F722	R188-L728 VanDerWaalsContact NH2-CD2 3.35Å; R192-L728 VanDerWaalsContact NH2-CD1 3.26Å; F722-L728 HydrophobicContact CD1-CD2 4.26Å; F722-L728 HydrophobicContact CE1-CD2 3.59Å; F722-L728 HydrophobicContact CZ-CD2 3.94Å
729	D	35.6	Very low	35.4	Very low	135 Å²	135	120 Å²	120	72%	0.722	60%	0.597	S	S	*	*			trans	-90.3	130.4	152.7	-69.8	-36.6	0	0	0	108.2
730	D	35.2	Very low	35.2	Very low	150 Å²	150	121.7 Å²	121.7	80%	0.802	60%	0.6	S	S	*	*	S	Bend	trans	76.7	30.9	144.9	-61.3	-19.9	0	0	0	124.4
731	D	35.2	Very low	34.8	Very low	155 Å²	155	122.6 Å²	122.6	83%	0.829	61%	0.611	S	S	*	*			trans	-123.6	47.5	162.2	-74.4	-34.5	0	0	0	113.3	E733	D731-E733 PolarHBondContact O-N 2.77Å
732	D	32.5	Very low	34.1	Very low	125 Å²	125	123.9 Å²	123.9	67%	0.668	63%	0.627	S	S	*	*			trans	-84.5	60.9	161.2	-85.8	-25.4	0	0	0	110.1	T734	D732-T734 PolarHBondContact O-N 2.97Å; D732-T734 PolarHBondContact O-OG1 3.03Å
733	E	29.1	Very low	33.2	Very low	156 Å²	156	133.3 Å²	133.3	73%	0.729	67%	0.672	S	S	*	*			trans	-67.3	93.7	154.8	-82.8	-161.7	163.9	0	0	107.7	D731 F735	D731-E733 PolarHBondContact O-N 2.77Å; E733-F735 HydrophobicContact CB-CD2 4.25Å; E733-F735 HydrophobicContact CB-CE2 4.45Å; E733-F735 PolarHBondContact O-N 3.28Å; E733-F735 WeakPolarHBondContact OE2-CE2 3.35Å
734	T	26.7	Very low	32.3	Very low	120 Å²	120	138.9 Å²	138.9	74%	0.736	70%	0.701	S	S	*	*			trans	-67.7	74.8	175.4	5.3	0	0	0	0	109.1	D732 I736	D732-T734 PolarHBondContact O-N 2.97Å; D732-T734 PolarHBondContact O-OG1 3.03Å; T734-I736 PolarHBondContact O-N 3.35Å; T734-I736 VanDerWaalsContact O-N 3.12Å
735	F	25.3	Very low	31.6	Very low	169 Å²	169	141.9 Å²	141.9	74%	0.741	72%	0.715	S	S	*	*			trans	-75.5	98.1	161.4	-86.9	-83.5	0	0	0	108.1	E733 I737	E733-F735 HydrophobicContact CB-CD2 4.25Å; E733-F735 HydrophobicContact CB-CE2 4.45Å; E733-F735 PolarHBondContact O-N 3.28Å; E733-F735 WeakPolarHBondContact OE2-CE2 3.35Å; F735-I737 PolarHBondContact O-N 2.92Å
736	I	25	Very low	31	Very low	150 Å²	150	142.3 Å²	142.3	77%	0.769	72%	0.72	S	S	*	*			trans	-58.4	102.2	166.6	-60.4	174.9	0	0	0	106.4	T734 D738	T734-I736 PolarHBondContact O-N 3.35Å; T734-I736 VanDerWaalsContact O-N 3.12Å; I736-D738 PolarHBondContact O-N 3.27Å; I736-D738 VanDerWaalsContact O-N 3.16Å
737	I	26.2	Very low	30.5	Very low	133 Å²	133	144.3 Å²	144.3	68%	0.682	73%	0.728	S	S	*	*			trans	-74.6	103.5	168.3	-61.6	174.8	0	0	0	105.2	F735 Y739	F735-I737 PolarHBondContact O-N 2.92Å; I737-Y739 PolarHBondContact O-N 3.38Å; I737-Y739 VanDerWaalsContact O-N 3.09Å
738	D	25.3	Very low	30.3	Very low	136 Å²	136	149.4 Å²	149.4	73%	0.727	75%	0.752	S	S	*	*			trans	-55.9	113.9	170.2	-119.7	-17.5	0	0	0	107.9	I736 T740	I736-D738 PolarHBondContact O-N 3.27Å; I736-D738 VanDerWaalsContact O-N 3.16Å; D738-T740 PolarHBondContact O-N 3.24Å
739	Y	29.8	Very low	30	Very low	206 Å²	206	155.7 Å²	155.7	81%	0.808	78%	0.783	S	S	*	*			trans	-71.9	85.6	167.9	-80.6	-92.8	0	0	0	107	I737 Q741	I737-Y739 PolarHBondContact O-N 3.38Å; I737-Y739 VanDerWaalsContact O-N 3.09Å; Y739-Q741 VanDerWaalsContact C-N 3.31Å; Y739-Q741 PolarHBondContact O-N 3.42Å
740	T	32.1	Very low	29.6	Very low	112 Å²	112	157.1 Å²	157.1	69%	0.687	79%	0.788	S	S	*	*			trans	-66.4	100.8	159	49.1	0	0	0	0	106.8	D738 D742	D738-T740 PolarHBondContact O-N 3.24Å; T740-D742 VanDerWaalsContact C-N 3.33Å; T740-D742 PolarHBondContact O-N 3.22Å
741	Q	29.6	Very low	29.2	Very low	184 Å²	184	157.7 Å²	157.7	86%	0.86	79%	0.787	S	S	*	*			trans	-58.5	101.2	159.8	-87.1	176.8	-52.6	0	0	106.8	Y739 E743	Y739-Q741 VanDerWaalsContact C-N 3.31Å; Y739-Q741 PolarHBondContact O-N 3.42Å; Q741-E743 VanDerWaalsContact C-N 3.33Å; Q741-E743 PolarHBondContact O-N 3.18Å; Q741-E743 VanDerWaalsContact O-N 3.15Å
742	D	32.9	Very low	28.7	Very low	150 Å²	150	157.9 Å²	157.9	80%	0.802	78%	0.783	S	S	*	*			trans	-69.4	98.4	156.4	-72.9	-24.9	0	0	0	106	T740	T740-D742 VanDerWaalsContact C-N 3.33Å; T740-D742 PolarHBondContact O-N 3.22Å
743	E	29.5	Very low	28.3	Very low	254 Å²	254	160.9 Å²	160.9	100%	1.187	79%	0.794	S	S	*	*			trans	-60.3	0	141.1	-72.7	-174.5	162	0	0	109.1	Q741	Q741-E743 VanDerWaalsContact C-N 3.33Å; Q741-E743 PolarHBondContact O-N 3.18Å; Q741-E743 VanDerWaalsContact O-N 3.15Å

Retrieved 743 of 743 residues in 865.8 ms (Link to these results)

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