G4VH57_SCHMA Loading...

Huntingtin interacting protein-related

AlphaFold DB , UniProt , Accession G4VH57, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 801 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	44.4	Very low	47.9	Very low	234 Å²	234	139.8 Å²	139.8	100%	1.153	78%	0.782	S	S	*	*				0	93.9	0	-49.8	-46.4	-171.5	0	0	106.3
2	A	46.9	Very low	47.2	Very low	104 Å²	104	143.8 Å²	143.8	86%	0.86	79%	0.789	S	S	*	*				81.5	113.3	77.7	0	0	0	0	0	111.5
3	G	45.5	Very low	47	Very low	67 Å²	67	146.7 Å²	146.7	69%	0.691	80%	0.801	S	S	*	*			cis	175.3	180	-10.5	0	0	0	0	0	116.4
4	Y	54.7	Low	46.6	Very low	232 Å²	232	140.7 Å²	140.7	91%	0.91	79%	0.791	S	S	*	*			trans	79.2	149.9	145.2	-85.1	-106.6	0	0	0	119.2
5	P	61	Low	46.1	Very low	88 Å²	88	147.1 Å²	147.1	57%	0.571	80%	0.8	S	S	*	*				-149.1	-165.4	-120.2	40	-16.4	0	0	0	116.2
6	H	48.4	Very low	46.2	Very low	153 Å²	153	145 Å²	145	71%	0.708	80%	0.796	S	S	*	*			trans	65.1	161.4	143.8	-88.2	-46.9	0	0	0	119.6
7	H	51.7	Low	46	Very low	155 Å²	155	141.1 Å²	141.1	72%	0.718	80%	0.797	S	S	*	*			cis	-113.7	-131.6	-5	-66.2	-86.1	0	0	0	109.5
8	F	41.7	Very low	45.7	Very low	176 Å²	176	146.9 Å²	146.9	77%	0.772	81%	0.806	S	S	*	*			cis	-156.1	113.6	-10.5	-160.6	-105	0	0	0	111.4
9	V	45.8	Very low	45.6	Very low	112 Å²	112	144.4 Å²	144.4	68%	0.679	81%	0.807	S	S	*	*			trans	57.9	145	138.8	174.3	0	0	0	0	121.3
10	T	40.8	Very low	45	Very low	119 Å²	119	147.3 Å²	147.3	73%	0.73	81%	0.813	S	S	*	*			cis	-172.4	136.4	-24.9	-81.6	0	0	0	0	108.4
11	A	46.5	Very low	44.9	Very low	98 Å²	98	144.5 Å²	144.5	81%	0.81	81%	0.81	S	S	*	*			trans	-156.3	147.2	151	0	0	0	0	0	110.1
12	H	39.3	Very low	44.8	Very low	187 Å²	187	137.5 Å²	137.5	87%	0.866	79%	0.789	S	S	*	*			trans	-127.6	133.7	-172.9	-116.4	4	0	0	0	111.6
13	L	45	Very low	44.3	Very low	182 Å²	182	143.1 Å²	143.1	95%	0.953	79%	0.79	S	S	*	*			trans	168.9	143.6	157.5	-92.2	152.6	0	0	0	106.4
14	G	40.4	Very low	44.2	Very low	63 Å²	63	146 Å²	146	65%	0.649	79%	0.793	S	S	*	*			cis	164.2	62.7	-1.5	0	0	0	0	0	111.6
15	Y	39.6	Very low	43.4	Very low	236 Å²	236	140 Å²	140	93%	0.925	78%	0.783	S	S	*	*			trans	-70.3	143.3	-173.3	-102.4	-84.2	0	0	0	114.8
16	P	47.8	Very low	42.4	Very low	114 Å²	114	140.1 Å²	140.1	74%	0.74	79%	0.791	S	S	*	*			trans	-141.3	141	144.5	36.7	-21.6	0	0	0	115.7
17	G	43.5	Very low	42	Very low	79 Å²	79	138.2 Å²	138.2	81%	0.814	80%	0.795	S	S	*	*			trans	64.6	105.3	140.9	0	0	0	0	0	120.9
18	Y	40.6	Very low	41.4	Very low	245 Å²	245	138.8 Å²	138.8	96%	0.961	80%	0.802	S	S	*	*			trans	-71.6	138.5	155.4	-88.4	-94.9	0	0	0	111.2
19	A	42.5	Very low	41.4	Very low	100 Å²	100	135.8 Å²	135.8	83%	0.826	80%	0.8	S	S	*	*			trans	-140	150.7	171.6	0	0	0	0	0	111.5
20	H	34.7	Very low	41	Very low	201 Å²	201	137.8 Å²	137.8	93%	0.931	81%	0.807	S	S	*	*			trans	-86	128.9	-174.8	-122.8	-74.8	0	0	0	112.1
21	A	43.2	Very low	40.7	Very low	90 Å²	90	138.4 Å²	138.4	74%	0.744	81%	0.813	S	S	*	*			trans	-137	113.1	164	0	0	0	0	0	107.8
22	A	41	Very low	40.1	Very low	87 Å²	87	137.7 Å²	137.7	72%	0.719	81%	0.807	S	S	*	*				80.7	96.2	76.4	0	0	0	0	0	111.9
23	Y	37.1	Very low	39.8	Very low	221 Å²	221	136.5 Å²	136.5	87%	0.867	81%	0.807	S	S	*	*			trans	-80.1	129.3	-179.3	-175.1	-89.6	0	0	0	110.8	P25	Y23-P25 HydrophobicContact CE1-CB 4.33Å
24	V	43.2	Very low	39.4	Very low	127 Å²	127	133 Å²	133	77%	0.77	80%	0.798	S	S	*	*			trans	-128.5	118.2	-178.8	-175.8	0	0	0	0	110
25	P	37.2	Very low	39.3	Very low	107 Å²	107	136.8 Å²	136.8	70%	0.695	81%	0.808	S	S	*	*			trans	-98.5	118	-179.3	34.2	-30.3	0	0	0	113.2	Y23	Y23-P25 HydrophobicContact CE1-CB 4.33Å
26	A	40.4	Very low	39.3	Very low	90 Å²	90	131.4 Å²	131.4	74%	0.744	80%	0.8	S	S	*	*			trans	-160.6	147.8	167.5	0	0	0	0	0	107.9
27	S	40.1	Very low	38.9	Very low	113 Å²	113	134.9 Å²	134.9	79%	0.79	81%	0.807	S	S	*	*			cis	-144.2	163.6	5.2	-54	0	0	0	0	109.9
28	I	39.5	Very low	38.9	Very low	168 Å²	168	136.4 Å²	136.4	86%	0.862	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-89.6	127.7	174.7	-59.5	168.2	0	0	0	110.6
29	P	40.9	Very low	39.7	Very low	112 Å²	112	127.6 Å²	127.6	73%	0.727	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-90.4	147.6	163.5	-3.1	23.3	0	0	0	112
30	N	37	Very low	40.2	Very low	155 Å²	155	126.5 Å²	126.5	83%	0.829	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-71.7	143.5	176.8	-86.1	-15.6	0	0	0	112.8	A32	N30-A32 PolarHBondContact O-N 3.31Å
31	P	34.8	Very low	41.2	Very low	131 Å²	131	120.3 Å²	120.3	85%	0.851	75%	0.745	S	S	*	*			trans	-83.5	105.8	166	32.8	-30.8	0	0	0	110.9
32	A	34.3	Very low	41.7	Very low	84 Å²	84	118.9 Å²	118.9	69%	0.694	72%	0.722	S	S	*	*			trans	-147.3	144.3	166.7	0	0	0	0	0	110.1	N30	N30-A32 PolarHBondContact O-N 3.31Å
33	N	33.7	Very low	42.4	Very low	161 Å²	161	119.8 Å²	119.8	86%	0.861	71%	0.714	S	S	*	*			trans	62.4	78.9	178.9	-61.5	-10.9	0	0	0	116.6
34	S	35.4	Very low	43.5	Very low	110 Å²	110	116.3 Å²	116.3	77%	0.769	71%	0.71	S	S	*	*			trans	-132	82.4	153.7	61.7	0	0	0	0	109.6	T36	S34-T36 PolarHBondContact O-N 3.01Å
35	V	38.1	Very low	44.6	Very low	141 Å²	141	111.4 Å²	111.4	86%	0.855	68%	0.683	S	S	*	*			trans	-84.8	99.4	175.1	-180	0	0	0	0	108.3
36	T	40.8	Very low	46.5	Very low	124 Å²	124	106.5 Å²	106.5	76%	0.761	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-65.6	132.2	178.2	-43.2	0	0	0	0	110.5	S34 L38	S34-T36 PolarHBondContact O-N 3.01Å; T36-L38 PolarHBondContact O-N 3.44Å
37	Q	38.7	Very low	48.5	Very low	187 Å²	187	103.6 Å²	103.6	87%	0.874	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-65.6	129.8	171.2	-70.2	179.6	-14.3	0	0	109.8
38	L	44.8	Very low	50.6	Low	111 Å²	111	100.4 Å²	100.4	58%	0.581	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-77.5	137.7	178.5	-75.3	164.3	0	0	0	110.8	T36 Q42	T36-L38 PolarHBondContact O-N 3.44Å; L38-Q42 HydrophobicContact CD2-CB 4.31Å
39	S	57.2	Low	52.9	Low	59 Å²	59	95.9 Å²	95.9	41%	0.413	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-76.1	149.8	172.1	67.9	0	0	0	0	111.3	A41 Q42	S39-A41 PolarHBondContact O-N 3.49Å; S39-A41 VanDerWaalsContact O-N 3.11Å; S39-Q42 PolarHBondContact O-N 3.14Å; S39-Q42 WeakPolarHBondContact OG-CG 3.4Å; S39-Q42 PolarHBondContact OG-OE1 3.3Å
40	A	52.9	Low	55.1	Low	77 Å²	77	94 Å²	94	64%	0.636	56%	0.555	S	S	*	*	H	α-helix	trans	-57.2	-29.1	179.2	0	0	0	0	0	113.3	Q42 I43 N44	A40-Q42 PolarHBondContact O-N 3.49Å; A40-I43 PolarHBondContact O-N 2.83Å; A40-N44 PolarHBondContact O-N 3.49Å
41	A	54.1	Low	57.7	Low	72 Å²	72	91.8 Å²	91.8	60%	0.595	54%	0.539	S	S	*	.	H	α-helix	trans	-65.7	-34.2	176.1	0	0	0	0	0	113.4	S39	S39-A41 PolarHBondContact O-N 3.49Å; S39-A41 VanDerWaalsContact O-N 3.11Å
42	Q	54.5	Low	60.1	Low	60 Å²	60	86.9 Å²	86.9	28%	0.28	51%	0.508	S	S	.	.	H	α-helix	trans	-72	-34	178.7	-70.4	162.2	-62.5	0	0	111.7	L38 S39 A40 A45 G46 L75	L38-Q42 HydrophobicContact CD2-CB 4.31Å; S39-Q42 PolarHBondContact O-N 3.14Å; S39-Q42 WeakPolarHBondContact OG-CG 3.4Å; S39-Q42 PolarHBondContact OG-OE1 3.3Å; A40-Q42 PolarHBondContact O-N 3.49Å; Q42-A45 PolarHBondContact O-N 3.19Å; Q42-G46 PolarHBondContact O-N 3.44Å; Q42-G46 VanDerWaalsContact O-N 3.12Å; Q42-L75 HydrophobicContact CG-CD2 4.18Å
43	I	55.7	Low	62.6	Low	106 Å²	106	92 Å²	92	54%	0.544	52%	0.517	S	S	.	.	H	α-helix	trans	-65.2	-43	179.5	-62.8	173	0	0	0	110.9	A40 A45	A40-I43 PolarHBondContact O-N 2.83Å; I43-A45 VanDerWaalsContact C-N 3.32Å; I43-A45 PolarHBondContact O-N 3.2Å
44	N	59.4	Low	65	Low	147 Å²	147	88.6 Å²	88.6	79%	0.786	50%	0.499	S	S	*	.	H	α-helix	trans	-75	-15	-177.4	-75	-2.9	0	0	0	114.8	A40	A40-N44 PolarHBondContact O-N 3.49Å
45	A	66.3	Low	67.3	Low	25 Å²	25	85.9 Å²	85.9	21%	0.207	49%	0.488	C	S	.	.	H	α-helix	trans	-108	-15.8	-180	0	0	0	0	0	114.2	Q42 I43 W47 N61 E74	Q42-A45 PolarHBondContact O-N 3.19Å; I43-A45 VanDerWaalsContact C-N 3.32Å; I43-A45 PolarHBondContact O-N 3.2Å; A45-W47 PolarHBondContact O-N 2.74Å; A45-W47 VanDerWaalsContact O-N 3.14Å; A45-N61 PolarHBondContact O-ND2 2.92Å; A45-E74 HydrophobicContact CB-CB 3.86Å; A45-E74 HydrophobicContact CB-CG 4.46Å
46	G	77.7	Confident	69.5	Low	4 Å²	4	86.8 Å²	86.8	4%	0.041	48%	0.476	C	S	.	.			trans	70.5	-0.4	179.2	0	0	0	0	0	115.9	Q42 N61 T62	Q42-G46 PolarHBondContact O-N 3.44Å; Q42-G46 VanDerWaalsContact O-N 3.12Å; G46-N61 CarbonylContact O-C 3.58Å; G46-N61 WeakPolarHBondContact O-CA 3.37Å; G46-T62 PolarHBondContact O-N 2.89Å; G46-T62 PolarHBondContact O-OG1 3.38Å; G46-T62 VanDerWaalsContact O-OG1 3.1Å
47	W	82.3	Confident	71.8	Confident	28 Å²	28	85.5 Å²	85.5	11%	0.106	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	124.7	179.1	-71.3	110.6	0	0	0	112.2	A45 Y60 N61 T68 P72 E74 L75	A45-W47 PolarHBondContact O-N 2.74Å; A45-W47 VanDerWaalsContact O-N 3.14Å; W47-Y60 WeakPolarHBondContact CA-O 3.05Å; W47-N61 HydrophobicContact CD2-CB 3.79Å; W47-N61 VanDerWaalsContact CE2-ND2 3.32Å; W47-N61 HydrophobicContact CE3-CB 3.59Å; W47-N61 HydrophobicContact CH2-CB 3.88Å; W47-N61 HydrophobicContact CZ2-CB 4.09Å; W47-N61 HydrophobicContact CZ3-CB 3.62Å; W47-N61 PolarHBondContact NE1-ND2 2.96Å; W47-T68 HydrophobicContact CH2-CG2 3.86Å; W47-T68 HydrophobicContact CZ3-CG2 3.71Å; W47-P72 HydrophobicContact CB-CG 4.31Å; W47-P72 HydrophobicContact CD2-CB 3.79Å; W47-P72 HydrophobicContact CD2-CG 3.33Å; W47-P72 HydrophobicContact CE3-CB 4.45Å; W47-P72 HydrophobicContact CE3-CG 3.54Å; W47-P72 HydrophobicContact CG-CB 3.93Å; W47-P72 HydrophobicContact CG-CG 3.72Å; W47-P72 HydrophobicContact CH2-CG 4.16Å; W47-P72 HydrophobicContact CZ2-CB 4.04Å; W47-P72 HydrophobicContact CZ2-CG 3.95Å; W47-P72 HydrophobicContact CZ3-CG 3.96Å; W47-E74 PolarHBondContact NE1-OE2 3.31Å; W47-L75 HydrophobicContact CB-CD1 3.53Å; W47-L75 HydrophobicContact CB-CD2 4.24Å; W47-L75 HydrophobicContact CB-CG 3.74Å; W47-L75 HydrophobicContact CG-CD1 4.48Å; W47-L75 HydrophobicContact CG-CG 4.49Å
48	V	84.2	Confident	74.1	Confident	46 Å²	46	79.5 Å²	79.5	28%	0.279	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	135.8	-179.8	-176	0	0	0	0	109.9	Y59 Y60 T62	V48-Y59 CarbonylContact O-C 3.6Å; V48-Y59 WeakPolarHBondContact O-CA 3.39Å; V48-Y60 PolarHBondContact N-O 2.87Å; V48-Y60 PolarHBondContact O-N 3.44Å; V48-T62 HydrophobicContact CG2-CG2 3.85Å
49	E	88.5	Confident	76.2	Confident	73 Å²	73	75.2 Å²	75.2	34%	0.341	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	129.1	174.9	-170.6	-172.7	116.5	0	0	110.9	H51 K57 Y59	E49-H51 IonicContact OE1-CE1 2.74Å; E49-H51 PolarHBondContact OE1-CE1 3.14Å; E49-H51 IonicContact OE1-NE2 2.7Å; E49-K57 VanDerWaalsContact CD-NZ 3.33Å; E49-K57 HydrophobicContact CG-CD 4.45Å; E49-K57 WeakPolarHBondContact OE1-CD 3.34Å; E49-K57 VanDerWaalsContact OE1-CE 3.25Å; E49-K57 WeakPolarHBondContact OE1-CE 3.42Å; E49-K57 IonicContact OE1-NZ 3.88Å; E49-K57 PolarHBondContact OE1-NZ 2.87Å; E49-K57 IonicContact OE2-NZ 2.69Å; E49-K57 PolarHBondContact OE2-NZ 3.47Å; E49-Y59 HydrophobicContact CB-CD1 4.15Å; E49-Y59 HydrophobicContact CB-CE1 4.15Å; E49-Y59 HydrophobicContact CG-CD1 4.23Å; E49-Y59 HydrophobicContact CG-CE1 3.88Å
50	H	87.6	Confident	77.6	Confident	74 Å²	74	75.7 Å²	75.7	34%	0.343	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	163.4	175.2	-75.7	-101.1	0	0	0	110.6	K57 Y58	H50-K57 CarbonylContact O-C 3.58Å; H50-K57 WeakPolarHBondContact O-CA 3Å; H50-Y58 HydrophobicContact CB-CD1 4Å; H50-Y58 HydrophobicContact CB-CD2 4.09Å; H50-Y58 HydrophobicContact CB-CE1 3.49Å; H50-Y58 VanDerWaalsContact CB-CE1 3.49Å; H50-Y58 HydrophobicContact CB-CE2 3.59Å; H50-Y58 HydrophobicContact CB-CG 4.28Å; H50-Y58 AromaticContact CG-CZ 3.97Å; H50-Y58 PolarHBondContact N-O 2.85Å; H50-Y58 PolarHBondContact O-N 3.26Å; H50-Y58 VanDerWaalsContact O-O 3.06Å
51	H	91.2	Very high	79.2	Confident	107 Å²	107	72.6 Å²	72.6	50%	0.495	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.3	178.3	-67.6	68.1	0	0	0	110.1	E49 K57	E49-H51 IonicContact OE1-CE1 2.74Å; E49-H51 PolarHBondContact OE1-CE1 3.14Å; E49-H51 IonicContact OE1-NE2 2.7Å; H51-K57 WeakPolarHBondContact NE2-CE 3.32Å
52	S	85.6	Confident	80.6	Confident	29 Å²	29	72.6 Å²	72.6	20%	0.203	36%	0.364	C	S	.	.			trans	-71.1	164.2	172.9	179.6	0	0	0	0	111.4	D54 G55 R56	S52-D54 PolarHBondContact O-N 3.35Å; S52-D54 VanDerWaalsContact O-N 3.1Å; S52-G55 PolarHBondContact O-N 3.15Å; S52-R56 WeakPolarHBondContact CB-O 3.48Å; S52-R56 PolarHBondContact N-O 3.48Å
53	H	85.1	Confident	81.9	Confident	192 Å²	192	76.9 Å²	76.9	89%	0.889	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-20.2	171.5	68.8	63.7	0	0	0	113.2	G55	H53-G55 VanDerWaalsContact C-N 3.31Å
54	D	85.2	Confident	83.3	Confident	89 Å²	89	75.4 Å²	75.4	48%	0.476	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	15.2	176	-161.3	46.2	0	0	0	112.3	S52 R56	S52-D54 PolarHBondContact O-N 3.35Å; S52-D54 VanDerWaalsContact O-N 3.1Å; D54-R56 HydrophobicContact CB-CG 4.42Å; D54-R56 PolarHBondContact O-N 3.03Å; D54-R56 IonicContact OD2-CZ 3.57Å; D54-R56 IonicContact OD2-NE 3.83Å; D54-R56 PolarHBondContact OD2-NE 3.49Å; D54-R56 IonicContact OD2-NH2 3.56Å; D54-R56 PolarHBondContact OD2-NH2 2.85Å
55	G	84.5	Confident	84.6	Confident	52 Å²	52	75.5 Å²	75.5	54%	0.536	37%	0.374	S	S	.	.	S	Bend	trans	70.6	-12.8	-177.3	0	0	0	0	0	115.5	S52 H53 K57	S52-G55 PolarHBondContact O-N 3.15Å; H53-G55 VanDerWaalsContact C-N 3.31Å; G55-K57 PolarHBondContact O-N 2.93Å
56	R	83.2	Confident	85.6	Confident	160 Å²	160	80.1 Å²	80.1	60%	0.604	39%	0.391	S	S	*	.			trans	-62.8	131	178.8	-58.8	-174.4	-155.2	-153.9	2.3	111.5	S52 D54 W69	S52-R56 WeakPolarHBondContact CB-O 3.48Å; S52-R56 PolarHBondContact N-O 3.48Å; D54-R56 HydrophobicContact CB-CG 4.42Å; D54-R56 PolarHBondContact O-N 3.03Å; D54-R56 IonicContact OD2-CZ 3.57Å; D54-R56 IonicContact OD2-NE 3.83Å; D54-R56 PolarHBondContact OD2-NE 3.49Å; D54-R56 IonicContact OD2-NH2 3.56Å; D54-R56 PolarHBondContact OD2-NH2 2.85Å; R56-W69 HydrophobicContact CB-CE3 4.28Å; R56-W69 HydrophobicContact CB-CZ3 3.74Å
57	K	88.3	Confident	86.1	Confident	97 Å²	97	84.4 Å²	84.4	42%	0.422	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	141	172.9	-64	-173.2	173	-144	0	111.1	E49 H50 H51 G55	E49-K57 VanDerWaalsContact CD-NZ 3.33Å; E49-K57 HydrophobicContact CG-CD 4.45Å; E49-K57 WeakPolarHBondContact OE1-CD 3.34Å; E49-K57 VanDerWaalsContact OE1-CE 3.25Å; E49-K57 WeakPolarHBondContact OE1-CE 3.42Å; E49-K57 IonicContact OE1-NZ 3.88Å; E49-K57 PolarHBondContact OE1-NZ 2.87Å; E49-K57 IonicContact OE2-NZ 2.69Å; E49-K57 PolarHBondContact OE2-NZ 3.47Å; H50-K57 CarbonylContact O-C 3.58Å; H50-K57 WeakPolarHBondContact O-CA 3Å; H51-K57 WeakPolarHBondContact NE2-CE 3.32Å; G55-K57 PolarHBondContact O-N 2.93Å
58	Y	88.9	Confident	86.3	Confident	61 Å²	61	85.1 Å²	85.1	24%	0.239	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	157.3	165.9	71.5	-88.1	0	0	0	109.5	H50 T67 T68 W69	H50-Y58 HydrophobicContact CB-CD1 4Å; H50-Y58 HydrophobicContact CB-CD2 4.09Å; H50-Y58 HydrophobicContact CB-CE1 3.49Å; H50-Y58 VanDerWaalsContact CB-CE1 3.49Å; H50-Y58 HydrophobicContact CB-CE2 3.59Å; H50-Y58 HydrophobicContact CB-CG 4.28Å; H50-Y58 AromaticContact CG-CZ 3.97Å; H50-Y58 PolarHBondContact N-O 2.85Å; H50-Y58 PolarHBondContact O-N 3.26Å; H50-Y58 VanDerWaalsContact O-O 3.06Å; Y58-T67 HydrophobicContact CD2-CG2 3.92Å; Y58-T67 HydrophobicContact CE2-CG2 3.88Å; Y58-T68 CarbonylContact C-O 3.56Å; Y58-T68 WeakPolarHBondContact CA-O 3.4Å; Y58-T68 WeakPolarHBondContact CB-O 3.3Å; Y58-W69 HydrophobicContact CD1-CZ3 4.42Å
59	Y	88.8	Confident	86.5	Confident	22 Å²	22	90.5 Å²	90.5	9%	0.086	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	131.2	-178.7	-52.2	-89.6	0	0	0	108.8	V48 E49 T67 T68 E70 K71 P72 L75	V48-Y59 CarbonylContact O-C 3.6Å; V48-Y59 WeakPolarHBondContact O-CA 3.39Å; E49-Y59 HydrophobicContact CB-CD1 4.15Å; E49-Y59 HydrophobicContact CB-CE1 4.15Å; E49-Y59 HydrophobicContact CG-CD1 4.23Å; E49-Y59 HydrophobicContact CG-CE1 3.88Å; Y59-T67 CarbonylContact O-C 3.6Å; Y59-T67 WeakPolarHBondContact O-CA 3.42Å; Y59-T68 PolarHBondContact N-O 3.5Å; Y59-T68 PolarHBondContact O-N 2.69Å; Y59-E70 WeakPolarHBondContact CD2-O 3.26Å; Y59-K71 HydrophobicContact CE1-CG 4.02Å; Y59-K71 VanDerWaalsContact CE2-CA 3.44Å; Y59-K71 HydrophobicContact CE2-CB 3.91Å; Y59-K71 HydrophobicContact CE2-CG 4.27Å; Y59-P72 VanDerWaalsContact CG-CD 3.46Å; Y59-P72 HydrophobicContact CG-CG 4.21Å; Y59-L75 HydrophobicContact CD1-CD1 3.64Å; Y59-L75 HydrophobicContact CE1-CD1 4.2Å; Y59-L75 HydrophobicContact CG-CD1 4.47Å
60	Y	86.8	Confident	86.1	Confident	69 Å²	69	94.2 Å²	94.2	27%	0.271	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.2	-178.3	173.7	-110.5	0	0	0	110.1	W47 V48 T62 Q65 Q66 T67	W47-Y60 WeakPolarHBondContact CA-O 3.05Å; V48-Y60 PolarHBondContact N-O 2.87Å; V48-Y60 PolarHBondContact O-N 3.44Å; Y60-T62 HydrophobicContact CD1-CG2 4.31Å; Y60-T62 HydrophobicContact CE1-CG2 4.21Å; Y60-Q65 HydrophobicContact CE2-CB 4.26Å; Y60-Q66 WeakPolarHBondContact CA-O 3.14Å; Y60-T67 HydrophobicContact CD2-CG2 3.73Å
61	N	85.8	Confident	85.9	Confident	12 Å²	12	93.5 Å²	93.5	6%	0.064	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	118.9	175.6	-167.6	-66.3	0	0	0	110.1	A45 G46 W47 F63 T64 Q65 Q66	A45-N61 PolarHBondContact O-ND2 2.92Å; G46-N61 CarbonylContact O-C 3.58Å; G46-N61 WeakPolarHBondContact O-CA 3.37Å; W47-N61 HydrophobicContact CD2-CB 3.79Å; W47-N61 VanDerWaalsContact CE2-ND2 3.32Å; W47-N61 HydrophobicContact CE3-CB 3.59Å; W47-N61 HydrophobicContact CH2-CB 3.88Å; W47-N61 HydrophobicContact CZ2-CB 4.09Å; W47-N61 HydrophobicContact CZ3-CB 3.62Å; W47-N61 PolarHBondContact NE1-ND2 2.96Å; N61-F63 VanDerWaalsContact C-N 3.27Å; N61-F63 PolarHBondContact O-N 3.15Å; N61-F63 WeakPolarHBondContact OD1-CA 3.32Å; N61-F63 WeakPolarHBondContact OD1-CB 3.32Å; N61-F63 PolarHBondContact OD1-N 3.16Å; N61-T64 VanDerWaalsContact CB-OG1 3.3Å; N61-T64 WeakPolarHBondContact CB-OG1 3.32Å; N61-T64 PolarHBondContact OD1-N 3.34Å; N61-Q65 WeakPolarHBondContact O-CA 3.48Å; N61-Q65 PolarHBondContact O-N 3.34Å; N61-Q66 PolarHBondContact N-O 2.91Å
62	T	83.2	Confident	85.2	Confident	72 Å²	72	88.9 Å²	88.9	44%	0.442	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-20.5	-178.5	56.6	0	0	0	0	113.9	G46 V48 Y60	G46-T62 PolarHBondContact O-N 2.89Å; G46-T62 PolarHBondContact O-OG1 3.38Å; G46-T62 VanDerWaalsContact O-OG1 3.1Å; V48-T62 HydrophobicContact CG2-CG2 3.85Å; Y60-T62 HydrophobicContact CD1-CG2 4.31Å; Y60-T62 HydrophobicContact CE1-CG2 4.21Å
63	F	80.9	Confident	84.7	Confident	150 Å²	150	92 Å²	92	66%	0.658	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-42	177.8	-58.1	-62.3	0	0	0	112.7	N61	N61-F63 VanDerWaalsContact C-N 3.27Å; N61-F63 PolarHBondContact O-N 3.15Å; N61-F63 WeakPolarHBondContact OD1-CA 3.32Å; N61-F63 WeakPolarHBondContact OD1-CB 3.32Å; N61-F63 PolarHBondContact OD1-N 3.16Å
64	T	86.9	Confident	83.9	Confident	74 Å²	74	88 Å²	88	45%	0.454	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-9	-178.1	72	0	0	0	0	114.1	N61 Q66	N61-T64 VanDerWaalsContact CB-OG1 3.3Å; N61-T64 WeakPolarHBondContact CB-OG1 3.32Å; N61-T64 PolarHBondContact OD1-N 3.34Å; T64-Q66 PolarHBondContact O-N 3.28Å; T64-Q66 WeakPolarHBondContact OG1-CB 3.46Å; T64-Q66 WeakPolarHBondContact OG1-CG 3.34Å; T64-Q66 PolarHBondContact OG1-N 3.35Å; T64-Q66 PolarHBondContact OG1-OE1 2.79Å
65	Q	85.4	Confident	83.2	Confident	150 Å²	150	85.2 Å²	85.2	70%	0.701	41%	0.411	S	S	*	.			trans	58.5	17.2	-173.8	-52.9	-175.2	36.4	0	0	114.6	Y60 N61	Y60-Q65 HydrophobicContact CE2-CB 4.26Å; N61-Q65 WeakPolarHBondContact O-CA 3.48Å; N61-Q65 PolarHBondContact O-N 3.34Å
66	Q	86.7	Confident	82.6	Confident	121 Å²	121	84.6 Å²	84.6	57%	0.565	39%	0.393	S	S	*	.			trans	-85.6	139.2	-179.6	-67.7	173.5	-12.4	0	0	111.7	Y60 N61 T64	Y60-Q66 WeakPolarHBondContact CA-O 3.14Å; N61-Q66 PolarHBondContact N-O 2.91Å; T64-Q66 PolarHBondContact O-N 3.28Å; T64-Q66 WeakPolarHBondContact OG1-CB 3.46Å; T64-Q66 WeakPolarHBondContact OG1-CG 3.34Å; T64-Q66 PolarHBondContact OG1-N 3.35Å; T64-Q66 PolarHBondContact OG1-OE1 2.79Å
67	T	89.1	Confident	82.2	Confident	94 Å²	94	80.4 Å²	80.4	58%	0.577	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105	137.5	168.5	50.2	0	0	0	0	110.8	Y58 Y59 Y60	Y58-T67 HydrophobicContact CD2-CG2 3.92Å; Y58-T67 HydrophobicContact CE2-CG2 3.88Å; Y59-T67 CarbonylContact O-C 3.6Å; Y59-T67 WeakPolarHBondContact O-CA 3.42Å; Y60-T67 HydrophobicContact CD2-CG2 3.73Å
68	T	87.3	Confident	81.4	Confident	44 Å²	44	81.4 Å²	81.4	27%	0.27	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	149.5	170.7	178.4	0	0	0	0	110.9	W47 Y58 Y59 E70 P72	W47-T68 HydrophobicContact CH2-CG2 3.86Å; W47-T68 HydrophobicContact CZ3-CG2 3.71Å; Y58-T68 CarbonylContact C-O 3.56Å; Y58-T68 WeakPolarHBondContact CA-O 3.4Å; Y58-T68 WeakPolarHBondContact CB-O 3.3Å; Y59-T68 PolarHBondContact N-O 3.5Å; Y59-T68 PolarHBondContact O-N 2.69Å; T68-E70 WeakPolarHBondContact CG2-O 3.25Å; T68-E70 PolarHBondContact OG1-N 3.08Å; T68-E70 PolarHBondContact OG1-O 2.83Å; T68-P72 HydrophobicContact CG2-CG 3.99Å
69	W	87	Confident	80.7	Confident	158 Å²	158	83.5 Å²	83.5	60%	0.598	40%	0.399	S	S	*	.	S	Bend	trans	-87.4	-19.1	173.8	-62.3	98.8	0	0	0	112.5	R56 Y58	R56-W69 HydrophobicContact CB-CE3 4.28Å; R56-W69 HydrophobicContact CB-CZ3 3.74Å; Y58-W69 HydrophobicContact CD1-CZ3 4.42Å
70	E	81.7	Confident	80.2	Confident	152 Å²	152	85.4 Å²	85.4	71%	0.71	41%	0.409	S	S	*	.	S	Bend	trans	-93.1	144.1	176.5	-64	-169.8	175.3	0	0	111.2	Y59 T68 P72	Y59-E70 WeakPolarHBondContact CD2-O 3.26Å; T68-E70 WeakPolarHBondContact CG2-O 3.25Å; T68-E70 PolarHBondContact OG1-N 3.08Å; T68-E70 PolarHBondContact OG1-O 2.83Å; E70-P72 VanDerWaalsContact O-CD 3.25Å; E70-P72 WeakPolarHBondContact O-CD 2.95Å
71	K	82	Confident	79.7	Confident	58 Å²	58	85.2 Å²	85.2	25%	0.252	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-63.8	118.2	179.7	-163.9	-178.2	-161.4	-168.2	0	110.2	Y59 L75 K76 E80	Y59-K71 HydrophobicContact CE1-CG 4.02Å; Y59-K71 VanDerWaalsContact CE2-CA 3.44Å; Y59-K71 HydrophobicContact CE2-CB 3.91Å; Y59-K71 HydrophobicContact CE2-CG 4.27Å; K71-L75 WeakPolarHBondContact CE-O 3.36Å; K71-L75 HydrophobicContact CG-CB 4.04Å; K71-L75 PolarHBondContact NZ-O 2.62Å; K71-K76 HydrophobicContact CD-CG 4.27Å; K71-K76 HydrophobicContact CG-CG 4.4Å; K71-K76 WeakPolarHBondContact O-CE 2.92Å; K71-E80 WeakPolarHBondContact CD-OE1 3.37Å; K71-E80 IonicContact NZ-OE1 3.48Å; K71-E80 PolarHBondContact NZ-OE1 3.01Å; K71-E80 IonicContact NZ-OE2 3.59Å; K71-E80 PolarHBondContact NZ-OE2 3.08Å
72	P	78	Confident	79.2	Confident	10 Å²	10	86 Å²	86	7%	0.065	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-55.4	148.9	179.9	-24.4	31.5	0	0	0	112.7	W47 Y59 T68 E70 E74 L75 K76	W47-P72 HydrophobicContact CB-CG 4.31Å; W47-P72 HydrophobicContact CD2-CB 3.79Å; W47-P72 HydrophobicContact CD2-CG 3.33Å; W47-P72 HydrophobicContact CE3-CB 4.45Å; W47-P72 HydrophobicContact CE3-CG 3.54Å; W47-P72 HydrophobicContact CG-CB 3.93Å; W47-P72 HydrophobicContact CG-CG 3.72Å; W47-P72 HydrophobicContact CH2-CG 4.16Å; W47-P72 HydrophobicContact CZ2-CB 4.04Å; W47-P72 HydrophobicContact CZ2-CG 3.95Å; W47-P72 HydrophobicContact CZ3-CG 3.96Å; Y59-P72 VanDerWaalsContact CG-CD 3.46Å; Y59-P72 HydrophobicContact CG-CG 4.21Å; T68-P72 HydrophobicContact CG2-CG 3.99Å; E70-P72 VanDerWaalsContact O-CD 3.25Å; E70-P72 WeakPolarHBondContact O-CD 2.95Å; P72-E74 WeakPolarHBondContact CB-OE2 3.36Å; P72-E74 PolarHBondContact O-N 3.3Å; P72-E74 VanDerWaalsContact O-N 3.11Å; P72-L75 HydrophobicContact CG-CD1 4.37Å; P72-L75 PolarHBondContact O-N 3.11Å; P72-K76 PolarHBondContact O-N 2.72Å; P72-K76 VanDerWaalsContact O-N 3.09Å
73	Q	74.6	Confident	78.8	Confident	95 Å²	95	86 Å²	86	44%	0.444	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-24.3	-175.8	-160	77.7	-17.4	0	0	112	K81	Q73-K81 WeakPolarHBondContact O-CE 3.35Å; Q73-K81 PolarHBondContact O-NZ 2.74Å
74	E	68.1	Low	78.5	Confident	109 Å²	109	82.4 Å²	82.4	51%	0.509	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-33.7	175.7	-52.5	70.4	-146.4	0	0	111.9	A45 W47 P72	A45-E74 HydrophobicContact CB-CB 3.86Å; A45-E74 HydrophobicContact CB-CG 4.46Å; W47-E74 PolarHBondContact NE1-OE2 3.31Å; P72-E74 WeakPolarHBondContact CB-OE2 3.36Å; P72-E74 PolarHBondContact O-N 3.3Å; P72-E74 VanDerWaalsContact O-N 3.11Å
75	L	70.5	Confident	78.2	Confident	30 Å²	30	85 Å²	85	16%	0.157	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-10.6	176.6	-70	-174	0	0	0	113.8	Q42 W47 Y59 K71 P72 T77	Q42-L75 HydrophobicContact CG-CD2 4.18Å; W47-L75 HydrophobicContact CB-CD1 3.53Å; W47-L75 HydrophobicContact CB-CD2 4.24Å; W47-L75 HydrophobicContact CB-CG 3.74Å; W47-L75 HydrophobicContact CG-CD1 4.48Å; W47-L75 HydrophobicContact CG-CG 4.49Å; Y59-L75 HydrophobicContact CD1-CD1 3.64Å; Y59-L75 HydrophobicContact CE1-CD1 4.2Å; Y59-L75 HydrophobicContact CG-CD1 4.47Å; K71-L75 WeakPolarHBondContact CE-O 3.36Å; K71-L75 HydrophobicContact CG-CB 4.04Å; K71-L75 PolarHBondContact NZ-O 2.62Å; P72-L75 HydrophobicContact CG-CD1 4.37Å; P72-L75 PolarHBondContact O-N 3.11Å; L75-T77 PolarHBondContact O-N 2.76Å
76	K	72.4	Confident	78	Confident	38 Å²	38	78.7 Å²	78.7	17%	0.165	39%	0.386	C	S	.	.			trans	-70.7	122.4	171.9	-69.5	-179.5	-167.3	168.9	0	110.5	K71 P72 E80 K81	K71-K76 HydrophobicContact CD-CG 4.27Å; K71-K76 HydrophobicContact CG-CG 4.4Å; K71-K76 WeakPolarHBondContact O-CE 2.92Å; P72-K76 PolarHBondContact O-N 2.72Å; P72-K76 VanDerWaalsContact O-N 3.09Å; K76-E80 WeakPolarHBondContact CA-OE2 3.35Å; K76-E80 HydrophobicContact CB-CB 4.05Å; K76-E80 HydrophobicContact CG-CB 4.32Å; K76-K81 HydrophobicContact CB-CG 3.89Å; K76-K81 VanDerWaalsContact O-CE 3.26Å; K76-K81 WeakPolarHBondContact O-CE 3.14Å; K76-K81 PolarHBondContact O-NZ 2.99Å
77	T	74.2	Confident	77.8	Confident	72 Å²	72	74.6 Å²	74.6	44%	0.442	37%	0.37	S	S	.	.			trans	-58.7	161.6	167.6	59	0	0	0	0	110.8	L75 R79 E80 K81	L75-T77 PolarHBondContact O-N 2.76Å; T77-R79 PolarHBondContact O-N 2.81Å; T77-E80 WeakPolarHBondContact CB-OE2 3.32Å; T77-E80 WeakPolarHBondContact CG2-OE2 3.3Å; T77-E80 PolarHBondContact N-OE2 2.99Å; T77-E80 PolarHBondContact O-N 2.75Å; T77-E80 VanDerWaalsContact O-N 3.12Å; T77-E80 VanDerWaalsContact OG1-CD 3.32Å; T77-E80 VanDerWaalsContact OG1-CG 3.28Å; T77-E80 WeakPolarHBondContact OG1-CG 3.28Å; T77-E80 PolarHBondContact OG1-N 3.18Å; T77-E80 PolarHBondContact OG1-OE2 2.82Å; T77-K81 PolarHBondContact O-N 3.12Å
78	Q	71	Confident	77.7	Confident	118 Å²	118	71.5 Å²	71.5	55%	0.551	35%	0.348	S	S	*	.	H	α-helix	trans	-59.2	-36.3	176.9	-166.6	67.1	-2	0	0	111.9	K81 I82 C126	Q78-K81 PolarHBondContact O-N 3.04Å; Q78-I82 HydrophobicContact CG-CD1 4.34Å; Q78-I82 WeakPolarHBondContact O-CG1 3.08Å; Q78-I82 PolarHBondContact O-N 3.47Å; Q78-I82 VanDerWaalsContact O-N 3.07Å; Q78-C126 HydrophobicContact CG-CB 4.22Å
79	R	73.9	Confident	77.6	Confident	106 Å²	106	73.7 Å²	73.7	40%	0.4	35%	0.354	S	S	.	.	H	α-helix	trans	-57.2	-51.1	171.9	-169.6	-164.5	176.8	106.1	5.8	112.2	T77 K81 I82 L83 A123 N127	T77-R79 PolarHBondContact O-N 2.81Å; R79-K81 VanDerWaalsContact C-N 3.33Å; R79-K81 PolarHBondContact O-N 2.99Å; R79-I82 PolarHBondContact O-N 3.23Å; R79-L83 HydrophobicContact CG-CD1 4.39Å; R79-L83 WeakPolarHBondContact O-CG 3.19Å; R79-L83 PolarHBondContact O-N 3.1Å; R79-A123 HydrophobicContact CG-CB 3.81Å; R79-N127 PolarHBondContact NH1-ND2 2.78Å
80	E	78.3	Confident	77.7	Confident	62 Å²	62	70.5 Å²	70.5	29%	0.29	35%	0.345	S	S	.	.	H	α-helix	trans	-64.9	-35.5	178.2	-71.5	162.8	128.8	0	0	112.1	K71 K76 T77 C84	K71-E80 WeakPolarHBondContact CD-OE1 3.37Å; K71-E80 IonicContact NZ-OE1 3.48Å; K71-E80 PolarHBondContact NZ-OE1 3.01Å; K71-E80 IonicContact NZ-OE2 3.59Å; K71-E80 PolarHBondContact NZ-OE2 3.08Å; K76-E80 WeakPolarHBondContact CA-OE2 3.35Å; K76-E80 HydrophobicContact CB-CB 4.05Å; K76-E80 HydrophobicContact CG-CB 4.32Å; T77-E80 WeakPolarHBondContact CB-OE2 3.32Å; T77-E80 WeakPolarHBondContact CG2-OE2 3.3Å; T77-E80 PolarHBondContact N-OE2 2.99Å; T77-E80 PolarHBondContact O-N 2.75Å; T77-E80 VanDerWaalsContact O-N 3.12Å; T77-E80 VanDerWaalsContact OG1-CD 3.32Å; T77-E80 VanDerWaalsContact OG1-CG 3.28Å; T77-E80 WeakPolarHBondContact OG1-CG 3.28Å; T77-E80 PolarHBondContact OG1-N 3.18Å; T77-E80 PolarHBondContact OG1-OE2 2.82Å; E80-C84 VanDerWaalsContact O-CB 3.27Å; E80-C84 WeakPolarHBondContact O-CB 3.35Å; E80-C84 PolarHBondContact O-N 3.21Å; E80-C84 PolarHBondContact O-SG 3.13Å
81	K	76.7	Confident	77.9	Confident	64 Å²	64	67.2 Å²	67.2	28%	0.278	33%	0.329	S	S	.	.	H	α-helix	trans	-64.5	-42.5	176.4	-76.4	166.5	170.5	143	0	112.7	Q73 K76 T77 Q78 R79 N85	Q73-K81 WeakPolarHBondContact O-CE 3.35Å; Q73-K81 PolarHBondContact O-NZ 2.74Å; K76-K81 HydrophobicContact CB-CG 3.89Å; K76-K81 VanDerWaalsContact O-CE 3.26Å; K76-K81 WeakPolarHBondContact O-CE 3.14Å; K76-K81 PolarHBondContact O-NZ 2.99Å; T77-K81 PolarHBondContact O-N 3.12Å; Q78-K81 PolarHBondContact O-N 3.04Å; R79-K81 VanDerWaalsContact C-N 3.33Å; R79-K81 PolarHBondContact O-N 2.99Å; K81-N85 PolarHBondContact O-N 3.44Å; K81-N85 PolarHBondContact O-OD1 3.49Å
82	I	76.4	Confident	78.3	Confident	30 Å²	30	71.2 Å²	71.2	15%	0.154	35%	0.346	C	S	.	.	H	α-helix	trans	-63.7	-48.5	177.1	-67.5	161.4	0	0	0	110.2	Q78 R79 N85 A119 Q122 A123 C126	Q78-I82 HydrophobicContact CG-CD1 4.34Å; Q78-I82 WeakPolarHBondContact O-CG1 3.08Å; Q78-I82 PolarHBondContact O-N 3.47Å; Q78-I82 VanDerWaalsContact O-N 3.07Å; R79-I82 PolarHBondContact O-N 3.23Å; I82-N85 PolarHBondContact O-N 3.39Å; I82-A119 HydrophobicContact CG2-CB 4.23Å; I82-A119 VanDerWaalsContact CG2-O 3.28Å; I82-A119 WeakPolarHBondContact CG2-O 3.39Å; I82-Q122 HydrophobicContact CD1-CB 4.31Å; I82-Q122 HydrophobicContact CG2-CB 4.1Å; I82-A123 HydrophobicContact CB-CB 4.32Å; I82-A123 HydrophobicContact CG2-CB 4.15Å; I82-C126 HydrophobicContact CD1-CB 4.3Å
83	L	75	Confident	78.7	Confident	71 Å²	71	72 Å²	72	37%	0.372	35%	0.352	S	S	.	.	H	α-helix	trans	-67.5	-38	-179.1	-65	171.9	0	0	0	112.8	R79 N85 C86 E120 A123	R79-L83 HydrophobicContact CG-CD1 4.39Å; R79-L83 WeakPolarHBondContact O-CG 3.19Å; R79-L83 PolarHBondContact O-N 3.1Å; L83-N85 PolarHBondContact O-N 3.31Å; L83-C86 PolarHBondContact O-N 3.24Å; L83-E120 HydrophobicContact CD2-CG 4.21Å; L83-A123 HydrophobicContact CD1-CB 4.37Å; L83-A123 HydrophobicContact CD2-CB 4.19Å; L83-A123 HydrophobicContact CG-CB 4.03Å
84	C	74.3	Confident	79	Confident	74 Å²	74	77.2 Å²	77.2	50%	0.5	38%	0.376	S	S	.	.	H	α-helix	trans	-66	-18.7	174.3	-77.6	0	0	0	0	114.2	E80	E80-C84 VanDerWaalsContact O-CB 3.27Å; E80-C84 WeakPolarHBondContact O-CB 3.35Å; E80-C84 PolarHBondContact O-N 3.21Å; E80-C84 PolarHBondContact O-SG 3.13Å
85	N	79.4	Confident	79.5	Confident	129 Å²	129	78.9 Å²	78.9	69%	0.69	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-7.3	178.9	-79	15.9	0	0	0	113.2	K81 I82 L83	K81-N85 PolarHBondContact O-N 3.44Å; K81-N85 PolarHBondContact O-OD1 3.49Å; I82-N85 PolarHBondContact O-N 3.39Å; L83-N85 PolarHBondContact O-N 3.31Å
86	C	81.1	Confident	80.2	Confident	17 Å²	17	79.7 Å²	79.7	12%	0.115	40%	0.404	C	S	.	.			trans	-79.5	130.9	174	-168.5	0	0	0	0	109.9	L83 W88 A119	L83-C86 PolarHBondContact O-N 3.24Å; C86-W88 PolarHBondContact O-N 3.32Å; C86-A119 HydrophobicContact CB-CB 4.11Å
87	P	82.7	Confident	80.5	Confident	36 Å²	36	84.7 Å²	84.7	23%	0.234	43%	0.426	C	S	.	.	S	Bend	trans	-76.1	-9	-178.9	31.8	-36.5	0	0	0	113.7	N102 E103 N104	P87-N102 WeakPolarHBondContact O-CA 3.46Å; P87-E103 PolarHBondContact O-N 2.78Å; P87-N104 WeakPolarHBondContact CB-OD1 3.36Å
88	W	86.5	Confident	81.2	Confident	28 Å²	28	83.8 Å²	83.8	11%	0.106	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	140.1	-178.9	-65.7	95.8	0	0	0	112	C86 F101 N102 I109 P113 E115 L116	C86-W88 PolarHBondContact O-N 3.32Å; W88-F101 WeakPolarHBondContact CA-O 3.24Å; W88-N102 HydrophobicContact CD2-CB 3.76Å; W88-N102 HydrophobicContact CE3-CB 3.61Å; W88-N102 HydrophobicContact CH2-CB 3.8Å; W88-N102 HydrophobicContact CZ2-CB 3.92Å; W88-N102 HydrophobicContact CZ3-CB 3.63Å; W88-N102 PolarHBondContact NE1-ND2 2.89Å; W88-I109 HydrophobicContact CH2-CD1 3.8Å; W88-I109 HydrophobicContact CH2-CG1 4.07Å; W88-I109 HydrophobicContact CZ2-CD1 4.49Å; W88-I109 HydrophobicContact CZ3-CD1 3.9Å; W88-I109 HydrophobicContact CZ3-CG1 3.75Å; W88-P113 HydrophobicContact CB-CG 4.03Å; W88-P113 HydrophobicContact CD2-CB 3.91Å; W88-P113 HydrophobicContact CD2-CG 3.43Å; W88-P113 VanDerWaalsContact CD2-CG 3.43Å; W88-P113 HydrophobicContact CE3-CB 4.39Å; W88-P113 HydrophobicContact CE3-CG 3.72Å; W88-P113 HydrophobicContact CG-CB 4.22Å; W88-P113 HydrophobicContact CG-CG 3.58Å; W88-P113 HydrophobicContact CZ2-CB 4.09Å; W88-P113 HydrophobicContact CZ2-CG 4.44Å; W88-P113 HydrophobicContact CZ3-CG 4.35Å; W88-E115 VanDerWaalsContact CD1-OE2 3.27Å; W88-E115 PolarHBondContact NE1-OE2 2.89Å; W88-L116 HydrophobicContact CB-CB 4.17Å; W88-L116 HydrophobicContact CB-CD1 3.64Å; W88-L116 HydrophobicContact CB-CG 4.48Å
89	K	85	Confident	82.1	Confident	91 Å²	91	81.5 Å²	81.5	40%	0.396	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	140.1	174.1	-63.4	-179.6	-171.6	169	0	111.1	F91 Y100 F101 E103	K89-F91 HydrophobicContact CB-CD2 4.37Å; K89-F91 HydrophobicContact CB-CE2 3.78Å; K89-F91 HydrophobicContact CB-CZ 4.46Å; K89-F91 WeakPolarHBondContact O-CD2 3Å; K89-Y100 WeakPolarHBondContact O-CA 3.38Å; K89-F101 PolarHBondContact N-O 3.16Å; K89-F101 PolarHBondContact O-N 3.39Å; K89-E103 HydrophobicContact CD-CG 4.46Å; K89-E103 WeakPolarHBondContact CD-OE1 3.32Å; K89-E103 VanDerWaalsContact CE-CD 3.43Å; K89-E103 WeakPolarHBondContact CE-OE1 3.46Å; K89-E103 VanDerWaalsContact CE-OE2 3.23Å; K89-E103 WeakPolarHBondContact CE-OE2 3.38Å; K89-E103 IonicContact NZ-OE1 3.54Å; K89-E103 PolarHBondContact NZ-OE1 3.35Å; K89-E103 IonicContact NZ-OE2 3.57Å; K89-E103 PolarHBondContact NZ-OE2 3.4Å
90	E	89.2	Confident	82.9	Confident	91 Å²	91	77.5 Å²	77.5	43%	0.425	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	129.5	171	-174.3	-167.7	139.9	0	0	110	K92 P98 Y100	E90-K92 WeakPolarHBondContact OE1-CE 3.41Å; E90-K92 IonicContact OE1-NZ 2.74Å; E90-K92 PolarHBondContact OE1-NZ 2.9Å; E90-P98 HydrophobicContact CG-CB 4.16Å; E90-Y100 HydrophobicContact CB-CD1 4.26Å; E90-Y100 HydrophobicContact CB-CE1 4.12Å; E90-Y100 HydrophobicContact CG-CE1 4.17Å
91	F	87.6	Confident	83.4	Confident	83 Å²	83	77.4 Å²	77.4	36%	0.364	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	166.7	168	-69.4	-90.7	0	0	0	109.2	K89 P98 Y99 F101	K89-F91 HydrophobicContact CB-CD2 4.37Å; K89-F91 HydrophobicContact CB-CE2 3.78Å; K89-F91 HydrophobicContact CB-CZ 4.46Å; K89-F91 WeakPolarHBondContact O-CD2 3Å; F91-P98 CarbonylContact O-C 3.6Å; F91-P98 VanDerWaalsContact O-CA 3.28Å; F91-P98 WeakPolarHBondContact O-CA 3.43Å; F91-Y99 HydrophobicContact CB-CD1 4.06Å; F91-Y99 HydrophobicContact CB-CD2 4.16Å; F91-Y99 HydrophobicContact CB-CE1 3.52Å; F91-Y99 HydrophobicContact CB-CE2 3.64Å; F91-Y99 HydrophobicContact CB-CG 4.35Å; F91-Y99 HydrophobicContact CD2-CE2 4.29Å; F91-Y99 HydrophobicContact CG-CE2 4.18Å; F91-Y99 PolarHBondContact N-O 3.43Å; F91-Y99 PolarHBondContact O-N 3.33Å; F91-F101 HydrophobicContact CD2-CB 3.83Å; F91-F101 HydrophobicContact CE2-CB 3.83Å; F91-F101 HydrophobicContact CE2-CD1 4.21Å; F91-F101 HydrophobicContact CE2-CG 4.43Å
92	K	88.9	Confident	83.9	Confident	142 Å²	142	74.8 Å²	74.8	62%	0.617	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.1	129.8	178.3	-56.9	-166.2	-179	-160	0	109.9	E90	E90-K92 WeakPolarHBondContact OE1-CE 3.41Å; E90-K92 IonicContact OE1-NZ 2.74Å; E90-K92 PolarHBondContact OE1-NZ 2.9Å
93	S	86.3	Confident	84.3	Confident	27 Å²	27	77.8 Å²	77.8	19%	0.189	40%	0.395	C	S	.	.			trans	-67.9	167	175.3	61	0	0	0	0	111.4	N95 G96 K97	S93-N95 PolarHBondContact O-N 3.05Å; S93-G96 PolarHBondContact O-N 2.71Å; S93-K97 WeakPolarHBondContact CB-O 3.35Å; S93-K97 PolarHBondContact N-O 3.46Å; S93-K97 PolarHBondContact OG-N 3.07Å; S93-K97 PolarHBondContact OG-O 3.42Å
94	E	80.9	Confident	84.7	Confident	203 Å²	203	80.7 Å²	80.7	95%	0.949	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-29.3	173.6	-171.9	164.9	-156.7	0	0	112.2	G96	E94-G96 VanDerWaalsContact C-N 3.27Å; E94-G96 PolarHBondContact O-N 3.04Å
95	N	79.5	Confident	85.5	Confident	144 Å²	144	80.6 Å²	80.6	77%	0.77	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	8.6	175.6	-62.7	-3.6	0	0	0	113.5	S93 K97	S93-N95 PolarHBondContact O-N 3.05Å; N95-K97 PolarHBondContact O-N 2.89Å
96	G	85.1	Confident	85.9	Confident	47 Å²	47	82.4 Å²	82.4	49%	0.485	41%	0.409	S	S	.	.	S	Bend	trans	75.5	-16.5	178.9	0	0	0	0	0	116.1	S93 E94	S93-G96 PolarHBondContact O-N 2.71Å; E94-G96 VanDerWaalsContact C-N 3.27Å; E94-G96 PolarHBondContact O-N 3.04Å
97	K	78.9	Confident	86.2	Confident	144 Å²	144	87 Å²	87	63%	0.626	43%	0.429	S	S	*	.			trans	-58.4	131.4	173	-68.4	-172.8	178.4	-176.6	0	109.9	S93 N95 W110	S93-K97 WeakPolarHBondContact CB-O 3.35Å; S93-K97 PolarHBondContact N-O 3.46Å; S93-K97 PolarHBondContact OG-N 3.07Å; S93-K97 PolarHBondContact OG-O 3.42Å; N95-K97 PolarHBondContact O-N 2.89Å; K97-W110 HydrophobicContact CB-CE3 4.45Å; K97-W110 HydrophobicContact CB-CZ3 3.98Å
98	P	88.5	Confident	86.5	Confident	53 Å²	53	89 Å²	89	34%	0.344	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	151.2	176	31.2	-34.7	0	0	0	111.2	E90 F91	E90-P98 HydrophobicContact CG-CB 4.16Å; F91-P98 CarbonylContact O-C 3.6Å; F91-P98 VanDerWaalsContact O-CA 3.28Å; F91-P98 WeakPolarHBondContact O-CA 3.43Å
99	Y	89.8	Confident	86.7	Confident	70 Å²	70	90.7 Å²	90.7	28%	0.275	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	152.4	168.2	69.7	-87.8	0	0	0	109.7	F91 F101	F91-Y99 HydrophobicContact CB-CD1 4.06Å; F91-Y99 HydrophobicContact CB-CD2 4.16Å; F91-Y99 HydrophobicContact CB-CE1 3.52Å; F91-Y99 HydrophobicContact CB-CE2 3.64Å; F91-Y99 HydrophobicContact CB-CG 4.35Å; F91-Y99 HydrophobicContact CD2-CE2 4.29Å; F91-Y99 HydrophobicContact CG-CE2 4.18Å; F91-Y99 PolarHBondContact N-O 3.43Å; F91-Y99 PolarHBondContact O-N 3.33Å; Y99-F101 HydrophobicContact CE2-CB 4.42Å
100	Y	90.3	Very high	86.9	Confident	22 Å²	22	94.1 Å²	94.1	9%	0.086	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	124	-175.5	-53.8	-86.2	0	0	0	109.1	K89 E90 S108 I109 I111 K112 P113 L116	K89-Y100 WeakPolarHBondContact O-CA 3.38Å; E90-Y100 HydrophobicContact CB-CD1 4.26Å; E90-Y100 HydrophobicContact CB-CE1 4.12Å; E90-Y100 HydrophobicContact CG-CE1 4.17Å; Y100-S108 CarbonylContact O-C 3.57Å; Y100-S108 WeakPolarHBondContact O-CA 3.44Å; Y100-I109 PolarHBondContact N-O 2.97Å; Y100-I109 PolarHBondContact O-N 3.5Å; Y100-I111 VanDerWaalsContact CD2-O 3.29Å; Y100-I111 WeakPolarHBondContact CD2-O 3.31Å; Y100-K112 HydrophobicContact CD1-CG 4.46Å; Y100-K112 HydrophobicContact CD2-CB 4.48Å; Y100-K112 HydrophobicContact CE1-CB 4.34Å; Y100-K112 HydrophobicContact CE1-CD 4.3Å; Y100-K112 HydrophobicContact CE1-CG 3.8Å; Y100-K112 VanDerWaalsContact CE2-CA 3.44Å; Y100-K112 HydrophobicContact CE2-CB 3.81Å; Y100-K112 HydrophobicContact CE2-CG 4.19Å; Y100-P113 VanDerWaalsContact CG-CD 3.49Å; Y100-P113 HydrophobicContact CG-CG 4.38Å; Y100-L116 HydrophobicContact CD1-CD1 4.11Å
101	F	89.4	Confident	86.7	Confident	60 Å²	60	96.5 Å²	96.5	26%	0.263	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130	-179.4	178.1	-101.7	0	0	0	110.5	W88 K89 F91 Y99 E103 K106 Q107	W88-F101 WeakPolarHBondContact CA-O 3.24Å; K89-F101 PolarHBondContact N-O 3.16Å; K89-F101 PolarHBondContact O-N 3.39Å; F91-F101 HydrophobicContact CD2-CB 3.83Å; F91-F101 HydrophobicContact CE2-CB 3.83Å; F91-F101 HydrophobicContact CE2-CD1 4.21Å; F91-F101 HydrophobicContact CE2-CG 4.43Å; Y99-F101 HydrophobicContact CE2-CB 4.42Å; F101-E103 HydrophobicContact CD1-CG 4.13Å; F101-E103 HydrophobicContact CE1-CG 4.11Å; F101-K106 HydrophobicContact CE2-CB 4.27Å; F101-K106 WeakPolarHBondContact CE2-O 3.09Å; F101-K106 HydrophobicContact CZ-CB 4.15Å; F101-K106 HydrophobicContact CZ-CG 4.41Å; F101-Q107 WeakPolarHBondContact CA-O 3.21Å
102	N	87.4	Confident	86.8	Confident	8 Å²	8	95.6 Å²	95.6	4%	0.043	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	115.9	175.1	-172	-56.7	0	0	0	109.4	P87 W88 N104 T105 K106 Q107	P87-N102 WeakPolarHBondContact O-CA 3.46Å; W88-N102 HydrophobicContact CD2-CB 3.76Å; W88-N102 HydrophobicContact CE3-CB 3.61Å; W88-N102 HydrophobicContact CH2-CB 3.8Å; W88-N102 HydrophobicContact CZ2-CB 3.92Å; W88-N102 HydrophobicContact CZ3-CB 3.63Å; W88-N102 PolarHBondContact NE1-ND2 2.89Å; N102-N104 PolarHBondContact O-N 3.32Å; N102-N104 WeakPolarHBondContact OD1-CA 3.36Å; N102-N104 WeakPolarHBondContact OD1-CB 3.38Å; N102-N104 PolarHBondContact OD1-N 3.24Å; N102-T105 WeakPolarHBondContact CB-OG1 3.2Å; N102-T105 PolarHBondContact OD1-N 3.36Å; N102-K106 WeakPolarHBondContact O-CA 3.44Å; N102-K106 PolarHBondContact O-N 3.02Å; N102-Q107 PolarHBondContact N-O 3.15Å
103	E	84.8	Confident	86.7	Confident	94 Å²	94	89.4 Å²	89.4	44%	0.439	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-23.9	-177.1	-66.4	-169.8	152.3	0	0	113.2	P87 K89 F101	P87-E103 PolarHBondContact O-N 2.78Å; K89-E103 HydrophobicContact CD-CG 4.46Å; K89-E103 WeakPolarHBondContact CD-OE1 3.32Å; K89-E103 VanDerWaalsContact CE-CD 3.43Å; K89-E103 WeakPolarHBondContact CE-OE1 3.46Å; K89-E103 VanDerWaalsContact CE-OE2 3.23Å; K89-E103 WeakPolarHBondContact CE-OE2 3.38Å; K89-E103 IonicContact NZ-OE1 3.54Å; K89-E103 PolarHBondContact NZ-OE1 3.35Å; K89-E103 IonicContact NZ-OE2 3.57Å; K89-E103 PolarHBondContact NZ-OE2 3.4Å; F101-E103 HydrophobicContact CD1-CG 4.13Å; F101-E103 HydrophobicContact CE1-CG 4.11Å
104	N	83.9	Confident	86.7	Confident	132 Å²	132	93.7 Å²	93.7	71%	0.706	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-42.3	-178.3	-62.6	53.4	0	0	0	112	P87 N102	P87-N104 WeakPolarHBondContact CB-OD1 3.36Å; N102-N104 PolarHBondContact O-N 3.32Å; N102-N104 WeakPolarHBondContact OD1-CA 3.36Å; N102-N104 WeakPolarHBondContact OD1-CB 3.38Å; N102-N104 PolarHBondContact OD1-N 3.24Å
105	T	89.3	Confident	86.9	Confident	72 Å²	72	89.3 Å²	89.3	44%	0.442	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-12.8	-179.9	70.8	0	0	0	0	113.7	N102 Q107	N102-T105 WeakPolarHBondContact CB-OG1 3.2Å; N102-T105 PolarHBondContact OD1-N 3.36Å; T105-Q107 VanDerWaalsContact CB-OE1 3.3Å; T105-Q107 PolarHBondContact O-N 3.32Å; T105-Q107 WeakPolarHBondContact OG1-CB 3.34Å; T105-Q107 WeakPolarHBondContact OG1-CG 3.3Å; T105-Q107 PolarHBondContact OG1-N 3.47Å; T105-Q107 PolarHBondContact OG1-OE1 3.14Å
106	K	88.4	Confident	87.2	Confident	167 Å²	167	83.2 Å²	83.2	73%	0.726	41%	0.413	S	S	*	.			trans	59.1	22.1	-172.5	-54.9	-177	-179.7	-179.9	0	114.5	F101 N102	F101-K106 HydrophobicContact CE2-CB 4.27Å; F101-K106 WeakPolarHBondContact CE2-O 3.09Å; F101-K106 HydrophobicContact CZ-CB 4.15Å; F101-K106 HydrophobicContact CZ-CG 4.41Å; N102-K106 WeakPolarHBondContact O-CA 3.44Å; N102-K106 PolarHBondContact O-N 3.02Å
107	Q	87.5	Confident	87.2	Confident	112 Å²	112	83.2 Å²	83.2	52%	0.523	40%	0.402	S	S	.	.			trans	-88.5	140.5	177.1	-67.1	166.7	-45.8	0	0	110.8	F101 N102 T105	F101-Q107 WeakPolarHBondContact CA-O 3.21Å; N102-Q107 PolarHBondContact N-O 3.15Å; T105-Q107 VanDerWaalsContact CB-OE1 3.3Å; T105-Q107 PolarHBondContact O-N 3.32Å; T105-Q107 WeakPolarHBondContact OG1-CB 3.34Å; T105-Q107 WeakPolarHBondContact OG1-CG 3.3Å; T105-Q107 PolarHBondContact OG1-N 3.47Å; T105-Q107 PolarHBondContact OG1-OE1 3.14Å
108	S	88.9	Confident	87.5	Confident	80 Å²	80	79.7 Å²	79.7	56%	0.559	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.6	171.9	54.6	0	0	0	0	110.3	Y100	Y100-S108 CarbonylContact O-C 3.57Å; Y100-S108 WeakPolarHBondContact O-CA 3.44Å
109	I	90.2	Very high	87.2	Confident	62 Å²	62	77.6 Å²	77.6	32%	0.318	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	152.6	176.5	63	174.4	0	0	0	110.9	W88 Y100 I111 P113	W88-I109 HydrophobicContact CH2-CD1 3.8Å; W88-I109 HydrophobicContact CH2-CG1 4.07Å; W88-I109 HydrophobicContact CZ2-CD1 4.49Å; W88-I109 HydrophobicContact CZ3-CD1 3.9Å; W88-I109 HydrophobicContact CZ3-CG1 3.75Å; Y100-I109 PolarHBondContact N-O 2.97Å; Y100-I109 PolarHBondContact O-N 3.5Å; I109-I111 VanDerWaalsContact CD1-O 3.24Å; I109-I111 WeakPolarHBondContact CD1-O 3.45Å; I109-I111 WeakPolarHBondContact CG1-O 3.33Å; I109-P113 HydrophobicContact CD1-CB 3.92Å; I109-P113 HydrophobicContact CD1-CG 4.18Å
110	W	89.7	Confident	87	Confident	164 Å²	164	78 Å²	78	62%	0.621	38%	0.381	S	S	*	.	S	Bend	trans	-88.2	-25.1	179.6	-61.7	99	0	0	0	113.2	K97	K97-W110 HydrophobicContact CB-CE3 4.45Å; K97-W110 HydrophobicContact CB-CZ3 3.98Å
111	I	86	Confident	86.7	Confident	140 Å²	140	81.6 Å²	81.6	72%	0.718	40%	0.402	S	S	*	.	S	Bend	trans	-85.4	143.1	177.5	-59.2	173	0	0	0	109.5	Y100 I109 P113	Y100-I111 VanDerWaalsContact CD2-O 3.29Å; Y100-I111 WeakPolarHBondContact CD2-O 3.31Å; I109-I111 VanDerWaalsContact CD1-O 3.24Å; I109-I111 WeakPolarHBondContact CD1-O 3.45Å; I109-I111 WeakPolarHBondContact CG1-O 3.33Å; I111-P113 WeakPolarHBondContact O-CD 3.38Å
112	K	89.1	Confident	86.2	Confident	65 Å²	65	84.1 Å²	84.1	28%	0.283	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-68.3	117.2	-179.1	-164.2	168.7	-167.9	175.7	0	110.6	Y100 L116 I117 E120	Y100-K112 HydrophobicContact CD1-CG 4.46Å; Y100-K112 HydrophobicContact CD2-CB 4.48Å; Y100-K112 HydrophobicContact CE1-CB 4.34Å; Y100-K112 HydrophobicContact CE1-CD 4.3Å; Y100-K112 HydrophobicContact CE1-CG 3.8Å; Y100-K112 VanDerWaalsContact CE2-CA 3.44Å; Y100-K112 HydrophobicContact CE2-CB 3.81Å; Y100-K112 HydrophobicContact CE2-CG 4.19Å; K112-L116 HydrophobicContact CD-CD2 4.27Å; K112-L116 HydrophobicContact CG-CD2 4.11Å; K112-I117 HydrophobicContact CB-CD1 4.3Å; K112-I117 HydrophobicContact CB-CG1 4.42Å; K112-I117 HydrophobicContact CD-CG1 4.02Å; K112-I117 HydrophobicContact CG-CD1 4.28Å; K112-I117 HydrophobicContact CG-CG1 3.84Å; K112-E120 WeakPolarHBondContact CE-OE1 3.2Å; K112-E120 WeakPolarHBondContact CE-OE2 3.26Å; K112-E120 IonicContact NZ-OE1 3.51Å; K112-E120 PolarHBondContact NZ-OE1 3.29Å; K112-E120 IonicContact NZ-OE2 3.31Å; K112-E120 PolarHBondContact NZ-OE2 2.97Å
113	P	87.2	Confident	85.8	Confident	12 Å²	12	83.8 Å²	83.8	8%	0.078	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-69.5	140	-175.3	21.1	-26.5	0	0	0	111.7	W88 Y100 I109 I111 E115 L116 I117	W88-P113 HydrophobicContact CB-CG 4.03Å; W88-P113 HydrophobicContact CD2-CB 3.91Å; W88-P113 HydrophobicContact CD2-CG 3.43Å; W88-P113 VanDerWaalsContact CD2-CG 3.43Å; W88-P113 HydrophobicContact CE3-CB 4.39Å; W88-P113 HydrophobicContact CE3-CG 3.72Å; W88-P113 HydrophobicContact CG-CB 4.22Å; W88-P113 HydrophobicContact CG-CG 3.58Å; W88-P113 HydrophobicContact CZ2-CB 4.09Å; W88-P113 HydrophobicContact CZ2-CG 4.44Å; W88-P113 HydrophobicContact CZ3-CG 4.35Å; Y100-P113 VanDerWaalsContact CG-CD 3.49Å; Y100-P113 HydrophobicContact CG-CG 4.38Å; I109-P113 HydrophobicContact CD1-CB 3.92Å; I109-P113 HydrophobicContact CD1-CG 4.18Å; I111-P113 WeakPolarHBondContact O-CD 3.38Å; P113-E115 PolarHBondContact O-N 3.22Å; P113-L116 HydrophobicContact CG-CB 3.98Å; P113-L116 WeakPolarHBondContact O-CB 3.44Å; P113-L116 PolarHBondContact O-N 3.14Å; P113-I117 PolarHBondContact O-N 3.12Å; P113-I117 VanDerWaalsContact O-N 3.15Å
114	Q	84.9	Confident	85.5	Confident	116 Å²	116	81.6 Å²	81.6	54%	0.542	41%	0.411	S	S	.	.	H	α-helix	trans	-55.8	-38.1	-178.1	-169.1	63.4	40.3	0	0	112.7	L116 I117 D118	Q114-L116 PolarHBondContact O-N 3.33Å; Q114-I117 PolarHBondContact O-N 2.99Å; Q114-I117 VanDerWaalsContact O-N 3.12Å; Q114-D118 PolarHBondContact NE2-OD1 2.76Å; Q114-D118 WeakPolarHBondContact O-CB 3.45Å; Q114-D118 VanDerWaalsContact O-CG 3.32Å; Q114-D118 PolarHBondContact O-N 3.37Å
115	E	85.1	Confident	85.2	Confident	112 Å²	112	78.2 Å²	78.2	52%	0.523	40%	0.401	S	S	.	.	H	α-helix	trans	-57.7	-30.3	176.4	-62.7	178.9	169.2	0	0	113.4	W88 P113 A119	W88-E115 VanDerWaalsContact CD1-OE2 3.27Å; W88-E115 PolarHBondContact NE1-OE2 2.89Å; P113-E115 PolarHBondContact O-N 3.22Å; E115-A119 WeakPolarHBondContact O-CB 3.26Å; E115-A119 PolarHBondContact O-N 3.49Å
116	L	85.8	Confident	84.3	Confident	15 Å²	15	76.9 Å²	76.9	8%	0.079	39%	0.394	C	S	.	.	H	α-helix	trans	-85.8	-36.2	177.3	-172.1	153.6	0	0	0	111.1	W88 Y100 K112 P113 Q114 A119 E120	W88-L116 HydrophobicContact CB-CB 4.17Å; W88-L116 HydrophobicContact CB-CD1 3.64Å; W88-L116 HydrophobicContact CB-CG 4.48Å; Y100-L116 HydrophobicContact CD1-CD1 4.11Å; K112-L116 HydrophobicContact CD-CD2 4.27Å; K112-L116 HydrophobicContact CG-CD2 4.11Å; P113-L116 HydrophobicContact CG-CB 3.98Å; P113-L116 WeakPolarHBondContact O-CB 3.44Å; P113-L116 PolarHBondContact O-N 3.14Å; Q114-L116 PolarHBondContact O-N 3.33Å; L116-A119 PolarHBondContact O-N 2.91Å; L116-E120 HydrophobicContact CD2-CG 4.26Å; L116-E120 WeakPolarHBondContact CD2-OE1 3.13Å; L116-E120 WeakPolarHBondContact O-CG 3.47Å; L116-E120 PolarHBondContact O-N 3.07Å
117	I	85.3	Confident	83.3	Confident	48 Å²	48	71.9 Å²	71.9	25%	0.246	38%	0.376	C	S	.	.	H	α-helix	trans	-61	-47.1	171.9	-60.8	174.4	0	0	0	110.2	K112 P113 Q114 A119 E120 N121	K112-I117 HydrophobicContact CB-CD1 4.3Å; K112-I117 HydrophobicContact CB-CG1 4.42Å; K112-I117 HydrophobicContact CD-CG1 4.02Å; K112-I117 HydrophobicContact CG-CD1 4.28Å; K112-I117 HydrophobicContact CG-CG1 3.84Å; P113-I117 PolarHBondContact O-N 3.12Å; P113-I117 VanDerWaalsContact O-N 3.15Å; Q114-I117 PolarHBondContact O-N 2.99Å; Q114-I117 VanDerWaalsContact O-N 3.12Å; I117-A119 VanDerWaalsContact C-N 3.34Å; I117-A119 PolarHBondContact O-N 3.21Å; I117-E120 PolarHBondContact O-N 2.87Å; I117-N121 WeakPolarHBondContact O-CB 3.42Å; I117-N121 VanDerWaalsContact O-CG 3.26Å; I117-N121 PolarHBondContact O-N 2.94Å; I117-N121 PolarHBondContact O-ND2 3.42Å
118	D	85.3	Confident	81.9	Confident	70 Å²	70	69.6 Å²	69.6	37%	0.374	38%	0.376	S	S	.	.	H	α-helix	trans	-65.9	-36.3	179.1	-68.5	-13.6	0	0	0	111.8	Q114 Q122	Q114-D118 PolarHBondContact NE2-OD1 2.76Å; Q114-D118 WeakPolarHBondContact O-CB 3.45Å; Q114-D118 VanDerWaalsContact O-CG 3.32Å; Q114-D118 PolarHBondContact O-N 3.37Å; D118-Q122 WeakPolarHBondContact O-CB 3.41Å; D118-Q122 VanDerWaalsContact O-CG 3.24Å; D118-Q122 WeakPolarHBondContact O-CG 3.29Å; D118-Q122 PolarHBondContact O-N 2.78Å; D118-Q122 PolarHBondContact O-NE2 2.84Å; D118-Q122 VanDerWaalsContact O-NE2 3.16Å
119	A	81.9	Confident	80.4	Confident	9 Å²	9	69 Å²	69	7%	0.074	38%	0.376	C	S	.	.	H	α-helix	trans	-68.1	-41.8	174	0	0	0	0	0	112.2	I82 C86 E115 L116 I117 A123	I82-A119 HydrophobicContact CG2-CB 4.23Å; I82-A119 VanDerWaalsContact CG2-O 3.28Å; I82-A119 WeakPolarHBondContact CG2-O 3.39Å; C86-A119 HydrophobicContact CB-CB 4.11Å; E115-A119 WeakPolarHBondContact O-CB 3.26Å; E115-A119 PolarHBondContact O-N 3.49Å; L116-A119 PolarHBondContact O-N 2.91Å; I117-A119 VanDerWaalsContact C-N 3.34Å; I117-A119 PolarHBondContact O-N 3.21Å; A119-A123 WeakPolarHBondContact O-CB 3.49Å; A119-A123 PolarHBondContact O-N 2.98Å
120	E	86.1	Confident	78.8	Confident	77 Å²	77	69.1 Å²	69.1	36%	0.36	39%	0.386	S	S	.	.	H	α-helix	trans	-62.1	-44.2	172.9	-78.8	-179.6	-179.1	0	0	111.9	L83 K112 L116 I117 A123 A124	L83-E120 HydrophobicContact CD2-CG 4.21Å; K112-E120 WeakPolarHBondContact CE-OE1 3.2Å; K112-E120 WeakPolarHBondContact CE-OE2 3.26Å; K112-E120 IonicContact NZ-OE1 3.51Å; K112-E120 PolarHBondContact NZ-OE1 3.29Å; K112-E120 IonicContact NZ-OE2 3.31Å; K112-E120 PolarHBondContact NZ-OE2 2.97Å; L116-E120 HydrophobicContact CD2-CG 4.26Å; L116-E120 WeakPolarHBondContact CD2-OE1 3.13Å; L116-E120 WeakPolarHBondContact O-CG 3.47Å; L116-E120 PolarHBondContact O-N 3.07Å; I117-E120 PolarHBondContact O-N 2.87Å; E120-A123 PolarHBondContact O-N 3.28Å; E120-A124 WeakPolarHBondContact O-CB 3.42Å; E120-A124 PolarHBondContact O-N 3.17Å
121	N	83.5	Confident	76.8	Confident	98 Å²	98	67.2 Å²	67.2	52%	0.524	39%	0.388	S	S	.	.	H	α-helix	trans	-62.7	-44	178.1	-74.9	-27.9	0	0	0	111.9	I117 A124 A125	I117-N121 WeakPolarHBondContact O-CB 3.42Å; I117-N121 VanDerWaalsContact O-CG 3.26Å; I117-N121 PolarHBondContact O-N 2.94Å; I117-N121 PolarHBondContact O-ND2 3.42Å; N121-A124 PolarHBondContact O-N 3.46Å; N121-A125 WeakPolarHBondContact O-CB 3.44Å; N121-A125 PolarHBondContact O-N 3.32Å
122	Q	79.4	Confident	74.8	Confident	113 Å²	113	65 Å²	65	53%	0.528	39%	0.385	S	S	.	.	H	α-helix	trans	-63.4	-42.4	173.2	-73.7	170	61	0	0	111.9	I82 D118 A124 A125 C126	I82-Q122 HydrophobicContact CD1-CB 4.31Å; I82-Q122 HydrophobicContact CG2-CB 4.1Å; D118-Q122 WeakPolarHBondContact O-CB 3.41Å; D118-Q122 VanDerWaalsContact O-CG 3.24Å; D118-Q122 WeakPolarHBondContact O-CG 3.29Å; D118-Q122 PolarHBondContact O-N 2.78Å; D118-Q122 PolarHBondContact O-NE2 2.84Å; D118-Q122 VanDerWaalsContact O-NE2 3.16Å; Q122-A124 VanDerWaalsContact C-N 3.31Å; Q122-A124 PolarHBondContact O-N 3.44Å; Q122-A125 PolarHBondContact O-N 3.29Å; Q122-C126 PolarHBondContact O-N 2.88Å
123	A	78.8	Confident	72.3	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.008	41%	0.406	C	S	.	.	H	α-helix	trans	-64.9	-34.1	177.6	0	0	0	0	0	112.4	R79 I82 L83 A119 E120 N127	R79-A123 HydrophobicContact CG-CB 3.81Å; I82-A123 HydrophobicContact CB-CB 4.32Å; I82-A123 HydrophobicContact CG2-CB 4.15Å; L83-A123 HydrophobicContact CD1-CB 4.37Å; L83-A123 HydrophobicContact CD2-CB 4.19Å; L83-A123 HydrophobicContact CG-CB 4.03Å; A119-A123 WeakPolarHBondContact O-CB 3.49Å; A119-A123 PolarHBondContact O-N 2.98Å; E120-A123 PolarHBondContact O-N 3.28Å; A123-N127 PolarHBondContact O-N 3.49Å
124	A	79.3	Confident	69.9	Low	48 Å²	48	72.1 Å²	72.1	40%	0.397	43%	0.434	S	S	.	.	H	α-helix	trans	-70.3	-44.8	171.9	0	0	0	0	0	112.1	E120 N121 Q122 C126 N127 A128	E120-A124 WeakPolarHBondContact O-CB 3.42Å; E120-A124 PolarHBondContact O-N 3.17Å; N121-A124 PolarHBondContact O-N 3.46Å; Q122-A124 VanDerWaalsContact C-N 3.31Å; Q122-A124 PolarHBondContact O-N 3.44Å; A124-C126 PolarHBondContact O-N 2.97Å; A124-N127 WeakPolarHBondContact O-CB 3.49Å; A124-N127 PolarHBondContact O-N 3.47Å; A124-N127 VanDerWaalsContact O-N 3.07Å; A124-A128 PolarHBondContact O-N 3Å
125	A	77	Confident	67.7	Low	61 Å²	61	72.5 Å²	72.5	50%	0.504	45%	0.446	S	S	.	.	H	α-helix	trans	-60.8	-41.7	177.9	0	0	0	0	0	112.5	N121 Q122 N127 A128 A129	N121-A125 WeakPolarHBondContact O-CB 3.44Å; N121-A125 PolarHBondContact O-N 3.32Å; Q122-A125 PolarHBondContact O-N 3.29Å; A125-N127 VanDerWaalsContact C-N 3.29Å; A125-N127 PolarHBondContact O-N 2.85Å; A125-A128 PolarHBondContact O-N 2.69Å; A125-A129 PolarHBondContact O-N 3.28Å
126	C	70.1	Confident	65.3	Low	44 Å²	44	75.6 Å²	75.6	30%	0.297	46%	0.461	S	S	.	.	H	α-helix	trans	-62.8	-33.6	173.3	-73.8	0	0	0	0	113	Q78 I82 Q122 A124 A130	Q78-C126 HydrophobicContact CG-CB 4.22Å; I82-C126 HydrophobicContact CD1-CB 4.3Å; Q122-C126 PolarHBondContact O-N 2.88Å; A124-C126 PolarHBondContact O-N 2.97Å; C126-A130 WeakPolarHBondContact O-CB 3.41Å; C126-A130 PolarHBondContact O-N 3.19Å
127	N	67.3	Low	63.1	Low	63 Å²	63	83.2 Å²	83.2	34%	0.337	50%	0.496	S	S	.	.	H	α-helix	trans	-68.4	-41.7	173.7	-107.7	53.7	0	0	0	112	R79 A123 A124 A125 A130 N131	R79-N127 PolarHBondContact NH1-ND2 2.78Å; A123-N127 PolarHBondContact O-N 3.49Å; A124-N127 WeakPolarHBondContact O-CB 3.49Å; A124-N127 PolarHBondContact O-N 3.47Å; A124-N127 VanDerWaalsContact O-N 3.07Å; A125-N127 VanDerWaalsContact C-N 3.29Å; A125-N127 PolarHBondContact O-N 2.85Å; N127-A130 PolarHBondContact O-N 2.71Å; N127-N131 PolarHBondContact O-N 3.06Å
128	A	59.9	Low	61.4	Low	63 Å²	63	86.8 Å²	86.8	52%	0.521	52%	0.522	S	S	.	.	H	α-helix	trans	-63.4	-41	176.9	0	0	0	0	0	112	A124 A125 S132	A124-A128 PolarHBondContact O-N 3Å; A125-A128 PolarHBondContact O-N 2.69Å; A128-S132 PolarHBondContact O-OG 3.45Å
129	A	57.3	Low	59.4	Low	69 Å²	69	89.4 Å²	89.4	57%	0.57	54%	0.543	S	S	*	.	H	α-helix	trans	-64.3	-42.3	173.7	0	0	0	0	0	112.5	A125 S132	A125-A129 PolarHBondContact O-N 3.28Å; A129-S132 PolarHBondContact O-N 3.05Å
130	A	55.4	Low	57.3	Low	63 Å²	63	94.7 Å²	94.7	52%	0.521	58%	0.58	S	S	.	*	H	α-helix	trans	-69.3	-32	-179	0	0	0	0	0	114	C126 N127 S132	C126-A130 WeakPolarHBondContact O-CB 3.41Å; C126-A130 PolarHBondContact O-N 3.19Å; N127-A130 PolarHBondContact O-N 2.71Å; A130-S132 VanDerWaalsContact C-N 3.31Å
131	N	48.1	Very low	55.4	Low	124 Å²	124	99.6 Å²	99.6	66%	0.663	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-84.2	-0.3	178.8	-81.9	40.1	0	0	0	114	N127 T133	N127-N131 PolarHBondContact O-N 3.06Å; N131-T133 VanDerWaalsContact C-N 3.3Å; N131-T133 PolarHBondContact O-N 3.07Å
132	S	44.1	Very low	53.6	Low	95 Å²	95	100.6 Å²	100.6	66%	0.664	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-86.6	9.9	-177.7	-64	0	0	0	0	114.3	A128 A129 A130	A128-S132 PolarHBondContact O-OG 3.45Å; A129-S132 PolarHBondContact O-N 3.05Å; A130-S132 VanDerWaalsContact C-N 3.31Å
133	T	37.2	Very low	52	Low	117 Å²	117	101.2 Å²	101.2	72%	0.718	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-132.8	19.6	-172.5	47.6	0	0	0	0	115.4	N131	N131-T133 VanDerWaalsContact C-N 3.3Å; N131-T133 PolarHBondContact O-N 3.07Å
134	V	37	Very low	50.4	Low	109 Å²	109	108.2 Å²	108.2	66%	0.661	67%	0.673	S	S	*	*			trans	-139.8	127.8	168	-173	0	0	0	0	110.9	E136	V134-E136 PolarHBondContact O-N 2.74Å
135	P	37.3	Very low	48.5	Very low	124 Å²	124	112.4 Å²	112.4	81%	0.805	69%	0.693	S	S	*	*			trans	-83.5	95.8	171.4	32.5	-31.7	0	0	0	111
136	E	35.8	Very low	46.8	Very low	177 Å²	177	114.6 Å²	114.6	83%	0.827	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-86.2	139.8	-177.2	-164.4	169.2	177.7	0	0	113.2	V134	V134-E136 PolarHBondContact O-N 2.74Å
137	Q	38.3	Very low	45.1	Very low	174 Å²	174	117.8 Å²	117.8	81%	0.813	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-81.8	142.1	178.2	-79.4	-179.9	-49.7	0	0	112.2
138	P	50.1	Low	43.9	Very low	123 Å²	123	121.1 Å²	121.1	80%	0.799	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-72	136.8	171.3	30.2	-33.8	0	0	0	111.4
139	P	43.2	Very low	43	Very low	126 Å²	126	123.8 Å²	123.8	82%	0.818	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-76.2	139.3	-177.6	30.3	-35.1	0	0	0	112.6
140	S	38.9	Very low	42.2	Very low	120 Å²	120	124.6 Å²	124.6	84%	0.839	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-91.4	138.8	177.9	52.3	0	0	0	0	112.8
141	M	44.7	Very low	41.7	Very low	180 Å²	180	128.3 Å²	128.3	89%	0.887	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-93.7	150.6	174	-65.8	-176.4	73.9	0	0	111.2
142	P	45.7	Very low	41.2	Very low	119 Å²	119	127.8 Å²	127.8	77%	0.773	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-81.4	146.5	-169.6	32	-36.2	0	0	0	113.9
143	P	46.6	Very low	41.1	Very low	125 Å²	125	132.1 Å²	132.1	81%	0.812	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-85.2	150.6	177.4	34.3	-35	0	0	0	113.2
144	V	44.8	Very low	41.3	Very low	149 Å²	149	133.4 Å²	133.4	90%	0.903	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-94.1	142.6	171	-78.2	0	0	0	0	112.3
145	T	39.8	Very low	41.2	Very low	135 Å²	135	135.8 Å²	135.8	83%	0.828	80%	0.804	S	S	*	*			trans	-93.9	177.5	-178.7	11.8	0	0	0	0	110.5
146	P	40.5	Very low	41.4	Very low	108 Å²	108	135 Å²	135	70%	0.701	80%	0.796	S	S	*	*			cis	-156	-178.7	40.5	45.3	-23.1	0	0	0	120.9
147	C	36	Very low	41.6	Very low	111 Å²	111	134.3 Å²	134.3	75%	0.75	80%	0.799	S	S	*	*			trans	72.2	145.6	159	-69	0	0	0	0	118
148	T	41.6	Very low	41.7	Very low	133 Å²	133	134.7 Å²	134.7	82%	0.816	80%	0.798	S	S	*	*			cis	-148.7	169	6.2	0.1	0	0	0	0	110.6
149	P	40	Very low	41.9	Very low	118 Å²	118	134 Å²	134	77%	0.766	79%	0.793	S	S	*	*			trans	-117.6	171.9	-146.5	43.5	-37.5	0	0	0	117.1
150	A	41.6	Very low	42.2	Very low	86 Å²	86	134 Å²	134	71%	0.711	79%	0.793	S	S	*	*				176	124.9	121.8	0	0	0	0	0	115.2
151	T	45	Very low	42.8	Very low	142 Å²	142	134.9 Å²	134.9	87%	0.871	78%	0.784	S	S	*	*			trans	133.5	137.2	145.2	55.3	0	0	0	0	114.7
152	P	36.8	Very low	43.7	Very low	113 Å²	113	129.9 Å²	129.9	73%	0.734	77%	0.765	S	S	*	*			trans	-119	157.4	-171.5	41.1	-31.2	0	0	0	115.8
153	K	41.9	Very low	44.5	Very low	186 Å²	186	127.5 Å²	127.5	81%	0.809	75%	0.751	S	S	*	*				175.9	122.2	129.9	-96.7	164.8	-180	-177.8	0	114.7
154	D	40.8	Very low	45.3	Very low	144 Å²	144	129.6 Å²	129.6	77%	0.77	75%	0.75	S	S	*	*			trans	52.5	109.1	130.2	-50.4	-22.2	0	0	0	123.2
155	D	35.5	Very low	46	Very low	158 Å²	158	128.2 Å²	128.2	85%	0.845	74%	0.736	S	S	*	*				88.5	166.4	120.4	-153.4	19.1	0	0	0	121.6
156	V	42.5	Very low	47.2	Very low	107 Å²	107	127.4 Å²	127.4	65%	0.648	72%	0.723	S	S	*	*			trans	82.1	97.3	169.5	-165.7	0	0	0	0	117.7
157	N	40	Very low	48.6	Very low	164 Å²	164	128.8 Å²	128.8	88%	0.877	71%	0.714	S	S	*	*				-158.8	87.6	128.4	-112.2	-47.4	0	0	0	113.2
158	K	39.6	Very low	50.2	Low	182 Å²	182	125.7 Å²	125.7	79%	0.791	70%	0.697	S	S	*	*	S	Bend	trans	-113.3	133.5	157.8	179.5	-172.4	175.5	-172.2	0	106.6
159	P	54	Low	51.4	Low	109 Å²	109	125.6 Å²	125.6	71%	0.708	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-61.5	134.1	178.9	25.1	-33.8	0	0	0	110.6
160	P	50.7	Low	52.7	Low	125 Å²	125	128 Å²	128	81%	0.812	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-73.9	145.7	-177.8	29.7	-34.6	0	0	0	111.9
161	E	50.8	Low	53.9	Low	139 Å²	139	126.7 Å²	126.7	65%	0.65	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-68.5	152.2	165.6	-80.6	-148.5	165.1	0	0	111.2	S163 R167	E161-S163 PolarHBondContact O-N 2.86Å; E161-R167 IonicContact OE1-NH2 2.72Å; E161-R167 IonicContact OE2-CZ 2.96Å; E161-R167 VanDerWaalsContact OE2-CZ 3.28Å; E161-R167 IonicContact OE2-NH1 2.78Å; E161-R167 PolarHBondContact OE2-NH1 3.38Å; E161-R167 IonicContact OE2-NH2 3.16Å; E161-R167 PolarHBondContact OE2-NH2 2.66Å
162	P	63	Low	54.6	Low	74 Å²	74	123.6 Å²	123.6	48%	0.481	66%	0.657	S	S	.	*	P	Polyproline II helix	trans	-59.2	136.9	170	26.4	-34.8	0	0	0	110.7	E166	P162-E166 VanDerWaalsContact CB-OE2 3.24Å; P162-E166 WeakPolarHBondContact CB-OE2 3.12Å
163	S	63.4	Low	55.6	Low	69 Å²	69	125.3 Å²	125.3	48%	0.483	66%	0.659	S	S	.	*	P	Polyproline II helix	trans	-63.2	154.1	-169.6	-176.9	0	0	0	0	112.5	E161 I165 E166 R167	E161-S163 PolarHBondContact O-N 2.86Å; S163-I165 PolarHBondContact O-N 3.18Å; S163-I165 VanDerWaalsContact O-N 3.15Å; S163-E166 WeakPolarHBondContact O-CA 3.29Å; S163-E166 WeakPolarHBondContact O-CB 2.83Å; S163-E166 PolarHBondContact O-N 3.07Å; S163-R167 PolarHBondContact O-N 3.41Å
164	E	62.7	Low	56.5	Low	169 Å²	169	120.1 Å²	120.1	79%	0.79	65%	0.651	S	S	*	*	H	α-helix	trans	-56.7	-31.6	178.8	-164.8	165.9	-133.5	0	0	112.2	E166 A168	E164-E166 VanDerWaalsContact C-N 3.33Å; E164-E166 PolarHBondContact O-N 3.14Å; E164-A168 WeakPolarHBondContact O-CB 3.49Å; E164-A168 PolarHBondContact O-N 2.78Å
165	I	61	Low	57	Low	121 Å²	121	117.2 Å²	117.2	62%	0.621	64%	0.642	S	S	*	*	H	α-helix	trans	-69.4	-27.7	174.1	-155.7	165.5	0	0	0	113.1	S163 A168 M169	S163-I165 PolarHBondContact O-N 3.18Å; S163-I165 VanDerWaalsContact O-N 3.15Å; I165-A168 PolarHBondContact O-N 2.87Å; I165-M169 WeakPolarHBondContact O-CG 3.41Å; I165-M169 PolarHBondContact O-N 2.93Å
166	E	63.2	Low	57.6	Low	117 Å²	117	117.8 Å²	117.8	55%	0.547	64%	0.637	S	S	.	*	H	α-helix	trans	-82	-38.2	178.4	-161.7	170.5	-145	0	0	110.8	P162 S163 E164 A168 K170	P162-E166 VanDerWaalsContact CB-OE2 3.24Å; P162-E166 WeakPolarHBondContact CB-OE2 3.12Å; S163-E166 WeakPolarHBondContact O-CA 3.29Å; S163-E166 WeakPolarHBondContact O-CB 2.83Å; S163-E166 PolarHBondContact O-N 3.07Å; E164-E166 VanDerWaalsContact C-N 3.33Å; E164-E166 PolarHBondContact O-N 3.14Å; E166-A168 VanDerWaalsContact C-N 3.33Å; E166-K170 WeakPolarHBondContact O-CB 3.25Å; E166-K170 PolarHBondContact O-N 2.87Å
167	R	71.5	Confident	57.6	Low	138 Å²	138	120 Å²	120	52%	0.521	65%	0.646	S	S	.	*	H	α-helix	trans	-57.8	-44.8	162.8	-83.4	-173.8	172	113.5	-7.1	110.9	E161 S163 K170 A171	E161-R167 IonicContact OE1-NH2 2.72Å; E161-R167 IonicContact OE2-CZ 2.96Å; E161-R167 VanDerWaalsContact OE2-CZ 3.28Å; E161-R167 IonicContact OE2-NH1 2.78Å; E161-R167 PolarHBondContact OE2-NH1 3.38Å; E161-R167 IonicContact OE2-NH2 3.16Å; E161-R167 PolarHBondContact OE2-NH2 2.66Å; S163-R167 PolarHBondContact O-N 3.41Å; R167-K170 PolarHBondContact O-N 3.18Å; R167-A171 WeakPolarHBondContact O-CB 3.31Å; R167-A171 PolarHBondContact O-N 2.79Å
168	A	69.7	Low	57.5	Low	46 Å²	46	118.8 Å²	118.8	38%	0.38	64%	0.644	S	S	.	*	H	α-helix	trans	-62.5	-50.2	178.6	0	0	0	0	0	112.3	E164 I165 E166 K170 A171 T172	E164-A168 WeakPolarHBondContact O-CB 3.49Å; E164-A168 PolarHBondContact O-N 2.78Å; I165-A168 PolarHBondContact O-N 2.87Å; E166-A168 VanDerWaalsContact C-N 3.33Å; A168-K170 VanDerWaalsContact C-N 3.27Å; A168-K170 PolarHBondContact O-N 3.34Å; A168-A171 PolarHBondContact O-N 2.79Å; A168-A171 VanDerWaalsContact O-N 3.11Å; A168-T172 PolarHBondContact O-N 2.67Å; A168-T172 PolarHBondContact O-OG1 3.49Å; A168-T172 VanDerWaalsContact O-OG1 3.08Å
169	M	64.9	Low	57.5	Low	130 Å²	130	115.8 Å²	115.8	64%	0.64	65%	0.646	S	S	*	*	H	α-helix	trans	-59.5	-37.3	177	-73	-179.3	76.6	0	0	112.4	I165 L173	I165-M169 WeakPolarHBondContact O-CG 3.41Å; I165-M169 PolarHBondContact O-N 2.93Å; M169-L173 WeakPolarHBondContact O-CG 3.36Å; M169-L173 PolarHBondContact O-N 2.9Å
170	K	67.9	Low	56.7	Low	168 Å²	168	117.5 Å²	117.5	73%	0.73	65%	0.649	S	S	*	*	H	α-helix	trans	-71.3	-34	176	-160.9	171.3	-174.2	176.9	0	112.8	E166 R167 A168 A174	E166-K170 WeakPolarHBondContact O-CB 3.25Å; E166-K170 PolarHBondContact O-N 2.87Å; R167-K170 PolarHBondContact O-N 3.18Å; A168-K170 VanDerWaalsContact C-N 3.27Å; A168-K170 PolarHBondContact O-N 3.34Å; K170-A174 PolarHBondContact O-N 2.84Å
171	A	66.5	Low	56	Low	59 Å²	59	117.7 Å²	117.7	49%	0.488	65%	0.648	S	S	.	*	H	α-helix	trans	-72.6	-42.8	175	0	0	0	0	0	112.5	R167 A168 L173 A174 S175	R167-A171 WeakPolarHBondContact O-CB 3.31Å; R167-A171 PolarHBondContact O-N 2.79Å; A168-A171 PolarHBondContact O-N 2.79Å; A168-A171 VanDerWaalsContact O-N 3.11Å; A171-L173 PolarHBondContact O-N 3.14Å; A171-A174 PolarHBondContact O-N 3.32Å; A171-S175 PolarHBondContact O-N 2.74Å; A171-S175 VanDerWaalsContact O-N 3.14Å
172	T	60.7	Low	55.4	Low	78 Å²	78	114.3 Å²	114.3	48%	0.479	65%	0.65	S	S	.	*	H	α-helix	trans	-62.5	-31.2	176.3	-57.8	0	0	0	0	112.2	A168 A174 S175 F176	A168-T172 PolarHBondContact O-N 2.67Å; A168-T172 PolarHBondContact O-OG1 3.49Å; A168-T172 VanDerWaalsContact O-OG1 3.08Å; T172-A174 VanDerWaalsContact C-N 3.32Å; T172-S175 PolarHBondContact O-OG 2.69Å; T172-F176 HydrophobicContact CG2-CE2 4.09Å; T172-F176 WeakPolarHBondContact O-CD2 3.38Å; T172-F176 WeakPolarHBondContact O-CE2 3.45Å
173	L	56.7	Low	54.1	Low	149 Å²	149	116.9 Å²	116.9	78%	0.78	67%	0.667	S	S	*	*	H	α-helix	trans	-73.2	-21.3	172.4	-73.5	170.2	0	0	0	113.6	M169 A171	M169-L173 WeakPolarHBondContact O-CG 3.36Å; M169-L173 PolarHBondContact O-N 2.9Å; A171-L173 PolarHBondContact O-N 3.14Å
174	A	60.9	Low	52.8	Low	77 Å²	77	119.1 Å²	119.1	64%	0.636	68%	0.683	S	S	*	*	H	α-helix	trans	-90.7	-15.5	177.8	0	0	0	0	0	113.6	K170 A171 T172 F176	K170-A174 PolarHBondContact O-N 2.84Å; A171-A174 PolarHBondContact O-N 3.32Å; T172-A174 VanDerWaalsContact C-N 3.32Å; A174-F176 PolarHBondContact O-N 2.7Å
175	S	52.5	Low	51.4	Low	82 Å²	82	115.9 Å²	115.9	57%	0.573	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	12.9	-172.8	63.4	0	0	0	0	115.5	A171 T172	A171-S175 PolarHBondContact O-N 2.74Å; A171-S175 VanDerWaalsContact O-N 3.14Å; T172-S175 PolarHBondContact O-OG 2.69Å
176	F	47.8	Very low	50.2	Low	171 Å²	171	115.8 Å²	115.8	75%	0.75	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	5.4	-177.6	-81	-72	0	0	0	114.8	T172 A174	T172-F176 HydrophobicContact CG2-CE2 4.09Å; T172-F176 WeakPolarHBondContact O-CD2 3.38Å; T172-F176 WeakPolarHBondContact O-CE2 3.45Å; A174-F176 PolarHBondContact O-N 2.7Å
177	D	41.5	Very low	49	Very low	154 Å²	154	115.9 Å²	115.9	82%	0.824	69%	0.692	S	S	*	*			trans	-112.7	51.8	-168.7	-153.2	13.7	0	0	0	113.6
178	T	39.4	Very low	47.6	Very low	138 Å²	138	112.1 Å²	112.1	85%	0.847	68%	0.682	S	S	*	*			trans	-144.8	148.1	168	46.7	0	0	0	0	111.7
179	S	38.1	Very low	46.2	Very low	118 Å²	118	114.4 Å²	114.4	83%	0.825	69%	0.693	S	S	*	*			trans	-91	147.8	-169.4	54.9	0	0	0	0	115.5
180	D	38	Very low	45.1	Very low	146 Å²	146	115.8 Å²	115.8	78%	0.781	70%	0.702	S	S	*	*				-166.6	169.2	106	-155.6	6.7	0	0	0	113.4
181	T	36.1	Very low	44.4	Very low	129 Å²	129	111.5 Å²	111.5	79%	0.791	69%	0.691	S	S	*	*			trans	-31.1	133.2	-176.1	42	0	0	0	0	121.4
182	G	37.1	Very low	43.1	Very low	67 Å²	67	114.3 Å²	114.3	69%	0.691	70%	0.704	S	S	*	*			trans	-178.1	122.8	160.7	0	0	0	0	0	112	S184	G182-S184 PolarHBondContact O-N 3.03Å
183	P	36.2	Very low	41.9	Very low	129 Å²	129	118.8 Å²	118.8	84%	0.838	72%	0.72	S	S	*	*			trans	-88.9	111.4	-169.9	32.2	-33.4	0	0	0	113.9
184	S	35.8	Very low	41.1	Very low	116 Å²	116	121.4 Å²	121.4	81%	0.811	73%	0.725	S	S	*	*			trans	-179.6	100.3	141.1	-83.2	0	0	0	0	114.6	G182	G182-S184 PolarHBondContact O-N 3.03Å
185	S	34.4	Very low	39.7	Very low	101 Å²	101	124.6 Å²	124.6	71%	0.706	74%	0.736	S	S	*	*			trans	59.5	86.4	147.1	55.4	0	0	0	0	122
186	I	35.9	Very low	38.8	Very low	119 Å²	119	124.2 Å²	124.2	61%	0.61	75%	0.745	S	S	*	*			trans	71.4	98.2	132.3	-53.3	154.8	0	0	0	118	R230	I186-R230 PolarHBondContact O-NH1 3.09Å
187	S	37.5	Very low	38	Very low	119 Å²	119	123 Å²	123	83%	0.832	75%	0.746	S	S	*	*			trans	-76.8	164.3	150.6	-55.3	0	0	0	0	111.6
188	I	43	Very low	37.7	Very low	59 Å²	59	121 Å²	121	30%	0.303	74%	0.744	S	S	.	*			trans	-121.7	125.2	177.9	-55.3	173.1	0	0	0	109.8	R230 A231 A234	I188-R230 HydrophobicContact CD1-CB 4.33Å; I188-R230 HydrophobicContact CD1-CG 3.66Å; I188-R230 HydrophobicContact CG1-CB 4.38Å; I188-R230 HydrophobicContact CG1-CG 4.11Å; I188-A231 HydrophobicContact CG2-CB 3.86Å; I188-A234 HydrophobicContact CG2-CB 4.42Å
189	P	38.7	Very low	37.4	Very low	94 Å²	94	122 Å²	122	61%	0.61	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-71.2	158.1	-178.2	-21	33.8	0	0	0	115.8
190	L	42.2	Very low	37.3	Very low	158 Å²	158	126 Å²	126	83%	0.827	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-84.8	149.4	164.7	-82.1	70.3	0	0	0	110.6
191	P	53.4	Low	37.1	Very low	78 Å²	78	126.8 Å²	126.8	51%	0.506	75%	0.751	S	S	.	*	P	Polyproline II helix	trans	-74.9	152.9	165.8	-7.4	25.6	0	0	0	111.4
192	P	39.6	Very low	37.1	Very low	119 Å²	119	129.9 Å²	129.9	77%	0.773	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-78.1	145.1	-177.9	31.5	-35.5	0	0	0	113.3	K194	P192-K194 PolarHBondContact O-N 3.45Å
193	E	35.5	Very low	36.9	Very low	172 Å²	172	131.7 Å²	131.7	80%	0.804	76%	0.759	S	S	*	*			trans	-70.8	112.8	166.2	-70.2	-176.3	143.6	0	0	109.8	V195	E193-V195 PolarHBondContact O-N 3.13Å
194	K	38.8	Very low	36.9	Very low	204 Å²	204	133.1 Å²	133.1	89%	0.887	76%	0.759	S	S	*	*			trans	-80.4	93.3	163.8	-88	-162.5	170.2	-167	0	109.5	P192 G196	P192-K194 PolarHBondContact O-N 3.45Å; K194-G196 PolarHBondContact O-N 2.94Å
195	V	32.9	Very low	37.1	Very low	144 Å²	144	135.4 Å²	135.4	87%	0.873	76%	0.758	S	S	*	*			trans	-59	118.4	152.4	-84.3	0	0	0	0	108.3	E193	E193-V195 PolarHBondContact O-N 3.13Å
196	G	32.4	Very low	37	Very low	73 Å²	73	139.7 Å²	139.7	75%	0.753	77%	0.766	S	S	*	*			trans	-124	73.5	-177.3	0	0	0	0	0	110	K194	K194-G196 PolarHBondContact O-N 2.94Å
197	D	30.6	Very low	37.4	Very low	145 Å²	145	143 Å²	143	78%	0.775	78%	0.776	S	S	*	*			trans	-67.5	123.5	172.6	177.1	21	0	0	0	110.1
198	S	36.5	Very low	37.2	Very low	112 Å²	112	142.9 Å²	142.9	78%	0.783	77%	0.773	S	S	*	*			trans	-172.5	66.3	177.5	-76.3	0	0	0	0	111.1	K200	S198-K200 PolarHBondContact O-N 2.87Å
199	D	32.5	Very low	36.9	Very low	161 Å²	161	146.2 Å²	146.2	86%	0.861	80%	0.795	S	S	*	*			trans	-67.3	127.5	160.3	-80.4	-40.3	0	0	0	109.8
200	K	37.1	Very low	36.9	Very low	200 Å²	200	146.6 Å²	146.6	87%	0.87	80%	0.8	S	S	*	*			trans	-147.7	124.8	162	-93.2	-162.2	171.7	-169.9	0	110.1	S198	S198-K200 PolarHBondContact O-N 2.87Å
201	D	32.4	Very low	36.6	Very low	163 Å²	163	146.5 Å²	146.5	87%	0.872	80%	0.801	S	S	*	*			trans	-62.2	138.7	168.5	-53.1	-85.6	0	0	0	111
202	E	35.7	Very low	35.9	Very low	194 Å²	194	148.9 Å²	148.9	91%	0.907	82%	0.816	S	S	*	*			trans	-148	126	140	-141.6	157.2	-140.3	0	0	109.2
203	S	33.5	Very low	35.5	Very low	106 Å²	106	151.5 Å²	151.5	74%	0.741	82%	0.818	S	S	*	*			trans	-86.1	143.5	171.1	53.6	0	0	0	0	109.7
204	D	37.6	Very low	35.4	Very low	158 Å²	158	149.9 Å²	149.9	85%	0.845	81%	0.813	S	S	*	*			trans	-157.6	166.9	147.2	-125.3	-23.1	0	0	0	115.4
205	E	38.4	Very low	35	Very low	165 Å²	165	144.6 Å²	144.6	77%	0.771	80%	0.798	S	S	*	*			trans	-70.7	144.5	-172.9	-66.3	-177.1	82.7	0	0	115.4
206	E	33.9	Very low	34.8	Very low	191 Å²	191	144.3 Å²	144.3	89%	0.893	80%	0.797	S	S	*	*			trans	-78	120.7	161	-71.7	-168.6	131.9	0	0	111.8
207	K	43.6	Very low	34.9	Very low	187 Å²	187	149.4 Å²	149.4	81%	0.813	80%	0.799	S	S	*	*			trans	-136.3	127.1	142.9	-76.8	-171.2	178.9	145.7	0	111.5
208	P	34.1	Very low	34.8	Very low	117 Å²	117	147.1 Å²	147.1	76%	0.76	79%	0.794	S	S	*	*			trans	-86.9	162.3	-178.6	34.9	-35.8	0	0	0	112.8
209	V	35.9	Very low	34.9	Very low	129 Å²	129	147.9 Å²	147.9	78%	0.782	80%	0.796	S	S	*	*				167.7	138.2	123.7	154.8	0	0	0	0	112.1
210	S	38.4	Very low	34.9	Very low	102 Å²	102	147.1 Å²	147.1	71%	0.713	79%	0.792	S	S	*	*			trans	66.6	118.8	161.2	66.8	0	0	0	0	122
211	N	35.2	Very low	34.6	Very low	156 Å²	156	142.9 Å²	142.9	83%	0.834	78%	0.783	S	S	*	*			trans	31.7	126.2	138.5	-59.7	2.3	0	0	0	121.9
212	P	39.5	Very low	34.9	Very low	129 Å²	129	142.8 Å²	142.8	84%	0.838	78%	0.778	S	S	*	*			trans	-102.5	128	137.5	33.7	-27.5	0	0	0	112
213	H	31.5	Very low	35	Very low	173 Å²	173	139.1 Å²	139.1	80%	0.801	77%	0.769	S	S	*	*			trans	-79.6	151.7	160.8	-135.6	-75.2	0	0	0	108.4
214	I	32.2	Very low	35.6	Very low	139 Å²	139	138.6 Å²	138.6	71%	0.713	76%	0.761	S	S	*	*			trans	68.7	113.8	168.1	-52.4	165.9	0	0	0	112.5
215	T	32.3	Very low	36.5	Very low	93 Å²	93	134 Å²	134	57%	0.571	74%	0.74	S	S	*	*				-150.4	121.7	77.7	-62.8	0	0	0	0	112.1	F217	T215-F217 HydrophobicContact CG2-CD2 3.82Å; T215-F217 HydrophobicContact CG2-CE2 3.61Å; T215-F217 HydrophobicContact CG2-CG 4.38Å; T215-F217 HydrophobicContact CG2-CZ 4Å; T215-F217 PolarHBondContact O-N 3.34Å
216	T	28.2	Very low	37.1	Very low	137 Å²	137	133 Å²	133	84%	0.84	74%	0.735	S	S	*	*			trans	-72	94	168.5	-53.6	0	0	0	0	109.3	S218	T216-S218 PolarHBondContact O-N 3.46Å
217	F	34.8	Very low	38.6	Very low	181 Å²	181	126.1 Å²	126.1	79%	0.794	70%	0.701	S	S	*	*			trans	-71.1	117.9	170.5	-80.5	-85.1	0	0	0	109.9	T215	T215-F217 HydrophobicContact CG2-CD2 3.82Å; T215-F217 HydrophobicContact CG2-CE2 3.61Å; T215-F217 HydrophobicContact CG2-CG 4.38Å; T215-F217 HydrophobicContact CG2-CZ 4Å; T215-F217 PolarHBondContact O-N 3.34Å
218	S	28.6	Very low	39.6	Very low	97 Å²	97	124.2 Å²	124.2	68%	0.678	69%	0.693	S	S	*	*			trans	-51.9	152	171.8	-61.8	0	0	0	0	111.5	T216 N220	T216-S218 PolarHBondContact O-N 3.46Å; S218-N220 VanDerWaalsContact C-N 3.29Å; S218-N220 PolarHBondContact O-N 3.13Å
219	P	37.4	Very low	41.8	Very low	128 Å²	128	121.8 Å²	121.8	83%	0.831	68%	0.676	S	S	*	*			trans	-63.9	93	171.5	28.2	-34.4	0	0	0	109	T221	P219-T221 PolarHBondContact O-N 2.87Å; P219-T221 VanDerWaalsContact O-N 3.1Å
220	N	32.1	Very low	43.7	Very low	144 Å²	144	119.5 Å²	119.5	77%	0.77	65%	0.653	S	S	*	*			trans	-63.2	117.4	-178.8	-169.1	8.2	0	0	0	107.9	S218 Q222	S218-N220 VanDerWaalsContact C-N 3.29Å; S218-N220 PolarHBondContact O-N 3.13Å; N220-Q222 PolarHBondContact O-N 3.06Å
221	T	30.7	Very low	45.8	Very low	111 Å²	111	116.2 Å²	116.2	68%	0.681	63%	0.632	S	S	*	*			trans	-59.5	108.6	-173.5	44.9	0	0	0	0	109.1	P219 T223	P219-T221 PolarHBondContact O-N 2.87Å; P219-T221 VanDerWaalsContact O-N 3.1Å; T221-T223 PolarHBondContact O-N 3.15Å
222	Q	39.9	Very low	48.1	Very low	162 Å²	162	113 Å²	113	76%	0.757	61%	0.612	S	S	*	*			trans	-66.3	89.5	164.4	-70	-167.3	17.7	0	0	107.5	N220 V224	N220-Q222 PolarHBondContact O-N 3.06Å; Q222-V224 PolarHBondContact O-N 2.68Å; Q222-V224 VanDerWaalsContact O-N 3.09Å
223	T	38.1	Very low	50	Low	117 Å²	117	109 Å²	109	72%	0.718	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-50.1	116.5	159.3	40	0	0	0	0	106.5	T221 P225	T221-T223 PolarHBondContact O-N 3.15Å; T223-P225 WeakPolarHBondContact O-CD 3.32Å
224	V	46.2	Very low	52.5	Low	95 Å²	95	100.9 Å²	100.9	58%	0.576	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-51.7	118.4	-177	179.3	0	0	0	0	107	Q222 E226 Y227	Q222-V224 PolarHBondContact O-N 2.68Å; Q222-V224 VanDerWaalsContact O-N 3.09Å; V224-E226 PolarHBondContact O-N 2.7Å; V224-Y227 HydrophobicContact CG1-CE2 4.35Å
225	P	55.2	Low	55	Low	62 Å²	62	96.4 Å²	96.4	40%	0.403	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-56.3	137.1	-170.6	-27.2	34.1	0	0	0	110.4	T223 Y227	T223-P225 WeakPolarHBondContact O-CD 3.32Å; P225-Y227 VanDerWaalsContact C-N 3.27Å; P225-Y227 HydrophobicContact CB-CD1 4.41Å; P225-Y227 HydrophobicContact CB-CD2 4.42Å; P225-Y227 HydrophobicContact CB-CE1 3.91Å; P225-Y227 HydrophobicContact CB-CE2 3.88Å; P225-Y227 HydrophobicContact CG-CE1 4.4Å; P225-Y227 HydrophobicContact CG-CE2 4.24Å; P225-Y227 WeakPolarHBondContact O-CD2 3.31Å; P225-Y227 WeakPolarHBondContact O-CE2 3.34Å; P225-Y227 PolarHBondContact O-N 2.68Å
226	E	51.7	Low	57.6	Low	144 Å²	144	92.1 Å²	92.1	67%	0.673	50%	0.496	S	S	*	.			trans	-79.9	81.1	-176	-162	-176.2	-173.5	0	0	109.2	V224 K228	V224-E226 PolarHBondContact O-N 2.7Å; E226-K228 HydrophobicContact CG-CG 4.42Å; E226-K228 WeakPolarHBondContact O-CG 3.42Å; E226-K228 PolarHBondContact O-N 2.74Å; E226-K228 WeakPolarHBondContact OE2-CE 3.34Å; E226-K228 IonicContact OE2-NZ 2.84Å; E226-K228 PolarHBondContact OE2-NZ 2.78Å
227	Y	64.5	Low	60.4	Low	46 Å²	46	85.6 Å²	85.6	18%	0.18	46%	0.456	C	S	.	.			trans	-68.2	86.6	-175.2	-55.5	-81.2	0	0	0	111.6	V224 P225 E232 I267	V224-Y227 HydrophobicContact CG1-CE2 4.35Å; P225-Y227 VanDerWaalsContact C-N 3.27Å; P225-Y227 HydrophobicContact CB-CD1 4.41Å; P225-Y227 HydrophobicContact CB-CD2 4.42Å; P225-Y227 HydrophobicContact CB-CE1 3.91Å; P225-Y227 HydrophobicContact CB-CE2 3.88Å; P225-Y227 HydrophobicContact CG-CE1 4.4Å; P225-Y227 HydrophobicContact CG-CE2 4.24Å; P225-Y227 WeakPolarHBondContact O-CD2 3.31Å; P225-Y227 WeakPolarHBondContact O-CE2 3.34Å; P225-Y227 PolarHBondContact O-N 2.68Å; Y227-E232 HydrophobicContact CD1-CB 4.28Å; Y227-E232 VanDerWaalsContact CD1-O 3.29Å; Y227-E232 WeakPolarHBondContact CD1-O 3.45Å; Y227-I267 HydrophobicContact CD1-CD1 4.47Å; Y227-I267 HydrophobicContact CD2-CD1 3.37Å; Y227-I267 HydrophobicContact CD2-CG1 3.8Å; Y227-I267 HydrophobicContact CD2-CG2 4.15Å; Y227-I267 HydrophobicContact CE1-CD1 4.26Å; Y227-I267 HydrophobicContact CE2-CD1 3.11Å; Y227-I267 HydrophobicContact CE2-CG1 3.9Å; Y227-I267 HydrophobicContact CG-CD1 4.07Å; Y227-I267 HydrophobicContact CG-CG2 4.31Å
228	K	65.8	Low	63	Low	146 Å²	146	79.4 Å²	79.4	64%	0.635	43%	0.427	S	S	*	.			trans	-77.3	-36.7	-173.1	-76.5	158.3	-170.9	173.3	0	113.3	E226 E232	E226-K228 HydrophobicContact CG-CG 4.42Å; E226-K228 WeakPolarHBondContact O-CG 3.42Å; E226-K228 PolarHBondContact O-N 2.74Å; E226-K228 WeakPolarHBondContact OE2-CE 3.34Å; E226-K228 IonicContact OE2-NZ 2.84Å; E226-K228 PolarHBondContact OE2-NZ 2.78Å; K228-E232 PolarHBondContact N-OE2 2.78Å
229	T	78.7	Confident	65.9	Low	67 Å²	67	81.3 Å²	81.3	41%	0.411	42%	0.42	S	S	.	.	S	Bend	trans	-107.1	154.6	-176.9	66.5	0	0	0	0	112.4	A231 E232 M233	T229-A231 PolarHBondContact O-N 3.33Å; T229-E232 VanDerWaalsContact CB-OE2 3.31Å; T229-E232 WeakPolarHBondContact CB-OE2 3.45Å; T229-E232 WeakPolarHBondContact CG2-OE2 3.43Å; T229-E232 PolarHBondContact N-OE2 2.69Å; T229-E232 PolarHBondContact O-N 2.67Å; T229-E232 VanDerWaalsContact O-N 3.14Å; T229-E232 WeakPolarHBondContact OG1-CB 3.33Å; T229-E232 VanDerWaalsContact OG1-CD 3.26Å; T229-E232 VanDerWaalsContact OG1-CG 3.25Å; T229-E232 WeakPolarHBondContact OG1-CG 3.36Å; T229-E232 PolarHBondContact OG1-N 2.78Å; T229-E232 PolarHBondContact OG1-OE2 2.94Å; T229-M233 WeakPolarHBondContact O-CG 2.9Å; T229-M233 PolarHBondContact O-N 3.49Å
230	R	76.9	Confident	68.4	Low	81 Å²	81	75.2 Å²	75.2	31%	0.306	38%	0.38	S	S	.	.	H	α-helix	trans	-58.7	-26.7	172.4	-152.2	-177.1	178.5	-159.1	-0	112.5	I186 I188 M233 A234 E273	I186-R230 PolarHBondContact O-NH1 3.09Å; I188-R230 HydrophobicContact CD1-CB 4.33Å; I188-R230 HydrophobicContact CD1-CG 3.66Å; I188-R230 HydrophobicContact CG1-CB 4.38Å; I188-R230 HydrophobicContact CG1-CG 4.11Å; R230-M233 HydrophobicContact CB-CE 4.32Å; R230-M233 HydrophobicContact CG-CE 4.34Å; R230-A234 WeakPolarHBondContact O-CB 3.31Å; R230-A234 PolarHBondContact O-N 2.75Å; R230-A234 VanDerWaalsContact O-N 3.15Å; R230-E273 IonicContact CZ-OE1 3.71Å; R230-E273 IonicContact NE-OE1 2.87Å; R230-E273 PolarHBondContact NE-OE1 2.62Å; R230-E273 IonicContact NH2-OE1 3.13Å; R230-E273 PolarHBondContact NH2-OE1 2.77Å
231	A	81.9	Confident	71.2	Confident	33 Å²	33	68.3 Å²	68.3	27%	0.273	34%	0.343	S	S	.	.	H	α-helix	trans	-72.3	-46.7	173.6	0	0	0	0	0	112.6	I188 T229 A234 E235	I188-A231 HydrophobicContact CG2-CB 3.86Å; T229-A231 PolarHBondContact O-N 3.33Å; A231-A234 PolarHBondContact O-N 2.96Å; A231-E235 PolarHBondContact O-N 3.35Å
232	E	83.4	Confident	74.1	Confident	87 Å²	87	68.9 Å²	68.9	41%	0.407	33%	0.333	S	S	.	.	H	α-helix	trans	-64.9	-39.2	175	-69.9	158	135.8	0	0	111.6	Y227 K228 T229 A234 E235 G236	Y227-E232 HydrophobicContact CD1-CB 4.28Å; Y227-E232 VanDerWaalsContact CD1-O 3.29Å; Y227-E232 WeakPolarHBondContact CD1-O 3.45Å; K228-E232 PolarHBondContact N-OE2 2.78Å; T229-E232 VanDerWaalsContact CB-OE2 3.31Å; T229-E232 WeakPolarHBondContact CB-OE2 3.45Å; T229-E232 WeakPolarHBondContact CG2-OE2 3.43Å; T229-E232 PolarHBondContact N-OE2 2.69Å; T229-E232 PolarHBondContact O-N 2.67Å; T229-E232 VanDerWaalsContact O-N 3.14Å; T229-E232 WeakPolarHBondContact OG1-CB 3.33Å; T229-E232 VanDerWaalsContact OG1-CD 3.26Å; T229-E232 VanDerWaalsContact OG1-CG 3.25Å; T229-E232 WeakPolarHBondContact OG1-CG 3.36Å; T229-E232 PolarHBondContact OG1-N 2.78Å; T229-E232 PolarHBondContact OG1-OE2 2.94Å; E232-A234 VanDerWaalsContact C-N 3.28Å; E232-A234 PolarHBondContact O-N 3.18Å; E232-E235 PolarHBondContact O-N 3.45Å; E232-G236 WeakPolarHBondContact O-CA 3.48Å; E232-G236 PolarHBondContact O-N 3.27Å
233	M	80.1	Confident	76.5	Confident	46 Å²	46	65.9 Å²	65.9	23%	0.227	32%	0.322	C	S	.	.	H	α-helix	trans	-59.9	-39.4	172.3	-67.1	-166.1	-78.4	0	0	111.7	T229 R230 L237 I267 L268	T229-M233 WeakPolarHBondContact O-CG 2.9Å; T229-M233 PolarHBondContact O-N 3.49Å; R230-M233 HydrophobicContact CB-CE 4.32Å; R230-M233 HydrophobicContact CG-CE 4.34Å; M233-L237 PolarHBondContact O-N 3.21Å; M233-I267 HydrophobicContact CB-CG2 3.9Å; M233-I267 HydrophobicContact CG-CG2 3.45Å; M233-I267 VanDerWaalsContact CG-CG2 3.45Å; M233-I267 HydrophobicContact SD-CG2 3.61Å; M233-L268 HydrophobicContact CB-CD2 3.8Å; M233-L268 HydrophobicContact CB-CG 4.08Å; M233-L268 HydrophobicContact CE-CD2 4.43Å; M233-L268 HydrophobicContact SD-CD2 4.14Å
234	A	83.5	Confident	79	Confident	3 Å²	3	61.8 Å²	61.8	3%	0.025	30%	0.298	C	S	.	.	H	α-helix	trans	-73	-36.8	178.1	0	0	0	0	0	113.6	I188 R230 A231 E232 R238 I277	I188-A234 HydrophobicContact CG2-CB 4.42Å; R230-A234 WeakPolarHBondContact O-CB 3.31Å; R230-A234 PolarHBondContact O-N 2.75Å; R230-A234 VanDerWaalsContact O-N 3.15Å; A231-A234 PolarHBondContact O-N 2.96Å; E232-A234 VanDerWaalsContact C-N 3.28Å; E232-A234 PolarHBondContact O-N 3.18Å; A234-R238 WeakPolarHBondContact O-CG 3.36Å; A234-R238 PolarHBondContact O-N 3.45Å; A234-R238 PolarHBondContact O-NE 3.16Å; A234-I277 HydrophobicContact CB-CD1 3.72Å; A234-I277 HydrophobicContact CB-CG1 3.97Å; A234-I277 WeakPolarHBondContact O-CG2 3.32Å
235	E	85.5	Confident	81	Confident	45 Å²	45	63.5 Å²	63.5	21%	0.21	30%	0.304	C	S	.	.	H	α-helix	trans	-71.5	-36.2	172.2	172.5	60.6	-174.2	0	0	111.5	A231 E232 L237 R238 R239	A231-E235 PolarHBondContact O-N 3.35Å; E232-E235 PolarHBondContact O-N 3.45Å; E235-L237 VanDerWaalsContact C-N 3.32Å; E235-L237 PolarHBondContact O-N 2.98Å; E235-R238 WeakPolarHBondContact O-CB 3.27Å; E235-R238 PolarHBondContact O-N 3.21Å; E235-R238 IonicContact OE2-CZ 2.76Å; E235-R238 IonicContact OE2-NE 3.79Å; E235-R238 IonicContact OE2-NH1 2.89Å; E235-R238 PolarHBondContact OE2-NH1 2.82Å; E235-R239 WeakPolarHBondContact O-CG 3.36Å; E235-R239 PolarHBondContact O-N 3.5Å; E235-R239 IonicContact OE1-CZ 3.26Å; E235-R239 VanDerWaalsContact OE1-CZ 3.3Å; E235-R239 IonicContact OE1-NE 2.86Å; E235-R239 PolarHBondContact OE1-NE 3.05Å; E235-R239 IonicContact OE1-NH2 2.63Å; E235-R239 PolarHBondContact OE1-NH2 3.46Å
236	G	85.9	Confident	82.7	Confident	2 Å²	2	60.6 Å²	60.6	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-59	-42.1	171.9	0	0	0	0	0	112.2	E232 R239 L240	E232-G236 WeakPolarHBondContact O-CA 3.48Å; E232-G236 PolarHBondContact O-N 3.27Å; G236-R239 PolarHBondContact O-N 3.42Å; G236-L240 WeakPolarHBondContact O-CB 3.46Å; G236-L240 PolarHBondContact O-N 2.78Å
237	L	88.1	Confident	84.5	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-71.3	-36.2	173.9	-156.7	81.1	0	0	0	112.4	M233 E235 R239 L240 F241 L268 K274 I277	M233-L237 PolarHBondContact O-N 3.21Å; E235-L237 VanDerWaalsContact C-N 3.32Å; E235-L237 PolarHBondContact O-N 2.98Å; L237-R239 VanDerWaalsContact C-N 3.34Å; L237-R239 PolarHBondContact O-N 2.93Å; L237-L240 HydrophobicContact CD1-CD2 3.89Å; L237-L240 WeakPolarHBondContact O-CB 3.37Å; L237-L240 PolarHBondContact O-N 2.82Å; L237-F241 HydrophobicContact CB-CE2 4.45Å; L237-F241 HydrophobicContact CD2-CE2 3.64Å; L237-F241 HydrophobicContact CD2-CZ 3.59Å; L237-F241 HydrophobicContact CG-CD2 4.41Å; L237-F241 HydrophobicContact CG-CE2 3.7Å; L237-F241 HydrophobicContact CG-CZ 3.81Å; L237-F241 WeakPolarHBondContact O-CD2 3.24Å; L237-F241 WeakPolarHBondContact O-CG 3.47Å; L237-F241 PolarHBondContact O-N 3.44Å; L237-L268 HydrophobicContact CB-CD1 4.09Å; L237-L268 HydrophobicContact CD2-CD1 3.97Å; L237-L268 HydrophobicContact CG-CD1 4.43Å; L237-K274 HydrophobicContact CD2-CB 3.95Å; L237-K274 HydrophobicContact CD2-CG 3.99Å; L237-I277 HydrophobicContact CB-CG2 4.24Å; L237-I277 HydrophobicContact CD2-CB 4.11Å; L237-I277 HydrophobicContact CD2-CD1 4.07Å; L237-I277 HydrophobicContact CD2-CG2 4.18Å
238	R	88.8	Confident	85.6	Confident	51 Å²	51	54.6 Å²	54.6	19%	0.192	26%	0.264	C	S	.	.	H	α-helix	trans	-59.7	-42.4	171.3	-79.6	175.7	-101	155.8	-22.4	112.4	A234 E235 R242 I277	A234-R238 WeakPolarHBondContact O-CG 3.36Å; A234-R238 PolarHBondContact O-N 3.45Å; A234-R238 PolarHBondContact O-NE 3.16Å; E235-R238 WeakPolarHBondContact O-CB 3.27Å; E235-R238 PolarHBondContact O-N 3.21Å; E235-R238 IonicContact OE2-CZ 2.76Å; E235-R238 IonicContact OE2-NE 3.79Å; E235-R238 IonicContact OE2-NH1 2.89Å; E235-R238 PolarHBondContact OE2-NH1 2.82Å; R238-R242 PolarHBondContact O-N 3.31Å; R238-I277 HydrophobicContact CG-CG2 3.78Å
239	R	88.5	Confident	86.6	Confident	137 Å²	137	50.2 Å²	50.2	52%	0.517	26%	0.26	S	S	.	.	H	α-helix	trans	-66.6	-44.1	173.3	-69.9	178.8	-168.9	-161.2	2.2	111.4	E235 G236 L237 F241 R242 D243	E235-R239 WeakPolarHBondContact O-CG 3.36Å; E235-R239 PolarHBondContact O-N 3.5Å; E235-R239 IonicContact OE1-CZ 3.26Å; E235-R239 VanDerWaalsContact OE1-CZ 3.3Å; E235-R239 IonicContact OE1-NE 2.86Å; E235-R239 PolarHBondContact OE1-NE 3.05Å; E235-R239 IonicContact OE1-NH2 2.63Å; E235-R239 PolarHBondContact OE1-NH2 3.46Å; G236-R239 PolarHBondContact O-N 3.42Å; L237-R239 VanDerWaalsContact C-N 3.34Å; L237-R239 PolarHBondContact O-N 2.93Å; R239-F241 VanDerWaalsContact C-N 3.33Å; R239-F241 PolarHBondContact O-N 2.85Å; R239-R242 CarbonylContact O-C 3.54Å; R239-R242 WeakPolarHBondContact O-CA 3.44Å; R239-R242 WeakPolarHBondContact O-CB 3.46Å; R239-R242 PolarHBondContact O-N 2.92Å; R239-D243 WeakPolarHBondContact O-CB 3.18Å; R239-D243 PolarHBondContact O-N 3.5Å
240	L	90.7	Very high	87.2	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-54.4	-46.6	174.5	176.7	60.8	0	0	0	112.4	G236 L237 R242 D243 C244 I259 D262 R264	G236-L240 WeakPolarHBondContact O-CB 3.46Å; G236-L240 PolarHBondContact O-N 2.78Å; L237-L240 HydrophobicContact CD1-CD2 3.89Å; L237-L240 WeakPolarHBondContact O-CB 3.37Å; L237-L240 PolarHBondContact O-N 2.82Å; L240-R242 VanDerWaalsContact C-N 3.31Å; L240-R242 PolarHBondContact O-N 3.31Å; L240-D243 PolarHBondContact O-N 3.43Å; L240-C244 VanDerWaalsContact CD1-SG 3.56Å; L240-C244 VanDerWaalsContact O-CB 3.26Å; L240-C244 WeakPolarHBondContact O-CB 3.41Å; L240-C244 PolarHBondContact O-N 3.32Å; L240-C244 PolarHBondContact O-SG 3.24Å; L240-I259 HydrophobicContact CD1-CB 4.39Å; L240-I259 HydrophobicContact CD1-CG2 4.42Å; L240-I259 HydrophobicContact CD2-CB 3.93Å; L240-I259 HydrophobicContact CD2-CG2 4.33Å; L240-I259 HydrophobicContact CG-CB 4.03Å; L240-I259 HydrophobicContact CG-CG2 3.94Å; L240-D262 HydrophobicContact CD1-CB 3.55Å; L240-D262 VanDerWaalsContact CD1-OD2 3.26Å; L240-D262 WeakPolarHBondContact CD1-OD2 3.35Å; L240-R264 HydrophobicContact CB-CB 4.5Å; L240-R264 HydrophobicContact CD1-CB 4.33Å; L240-R264 HydrophobicContact CD2-CB 4.03Å
241	F	91.9	Very high	87.9	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.7	-37.5	175.6	-61	-59.1	0	0	0	112.4	L237 R239 N245 V246 W252 A255 I259 I277 F278 Y281	L237-F241 HydrophobicContact CB-CE2 4.45Å; L237-F241 HydrophobicContact CD2-CE2 3.64Å; L237-F241 HydrophobicContact CD2-CZ 3.59Å; L237-F241 HydrophobicContact CG-CD2 4.41Å; L237-F241 HydrophobicContact CG-CE2 3.7Å; L237-F241 HydrophobicContact CG-CZ 3.81Å; L237-F241 WeakPolarHBondContact O-CD2 3.24Å; L237-F241 WeakPolarHBondContact O-CG 3.47Å; L237-F241 PolarHBondContact O-N 3.44Å; R239-F241 VanDerWaalsContact C-N 3.33Å; R239-F241 PolarHBondContact O-N 2.85Å; F241-N245 PolarHBondContact O-N 3.47Å; F241-V246 HydrophobicContact CB-CB 4.21Å; F241-V246 HydrophobicContact CB-CG2 4.28Å; F241-V246 HydrophobicContact CD1-CG2 4.25Å; F241-V246 WeakPolarHBondContact O-CB 3.48Å; F241-V246 WeakPolarHBondContact O-CG2 3.47Å; F241-V246 PolarHBondContact O-N 2.95Å; F241-W252 HydrophobicContact CE1-CZ3 4.04Å; F241-W252 AromaticContact CZ-CZ3 3.93Å; F241-W252 HydrophobicContact CZ-CZ3 3.93Å; F241-A255 HydrophobicContact CE1-CB 4.36Å; F241-I259 HydrophobicContact CD1-CD1 4.07Å; F241-I259 HydrophobicContact CD1-CG2 4.07Å; F241-I259 HydrophobicContact CE1-CD1 3.5Å; F241-I259 VanDerWaalsContact CE1-CD1 3.5Å; F241-I259 HydrophobicContact CZ-CD1 4.4Å; F241-I277 HydrophobicContact CE2-CG2 4.19Å; F241-F278 HydrophobicContact CD1-CD2 4.14Å; F241-F278 HydrophobicContact CE1-CB 4.29Å; F241-F278 AromaticContact CE1-CD2 3.75Å; F241-F278 HydrophobicContact CE1-CD2 3.75Å; F241-F278 HydrophobicContact CE1-CG 4.43Å; F241-F278 HydrophobicContact CE2-CB 4Å; F241-F278 HydrophobicContact CE2-CD2 4.37Å; F241-F278 HydrophobicContact CZ-CB 3.63Å; F241-F278 AromaticContact CZ-CD2 3.92Å; F241-F278 HydrophobicContact CZ-CD2 3.92Å; F241-F278 HydrophobicContact CZ-CG 4.24Å; F241-Y281 VanDerWaalsContact C-OH 3.31Å; F241-Y281 HydrophobicContact CB-CD1 3.61Å; F241-Y281 HydrophobicContact CB-CD2 3.71Å; F241-Y281 HydrophobicContact CB-CE1 3.42Å; F241-Y281 VanDerWaalsContact CB-CE1 3.42Å; F241-Y281 HydrophobicContact CB-CE2 3.49Å; F241-Y281 VanDerWaalsContact CB-CE2 3.49Å; F241-Y281 HydrophobicContact CB-CG 3.77Å; F241-Y281 HydrophobicContact CD2-CD1 4Å; F241-Y281 HydrophobicContact CD2-CD2 4.17Å; F241-Y281 AromaticContact CD2-CG 3.74Å; F241-Y281 HydrophobicContact CD2-CG 3.74Å; F241-Y281 AromaticContact CG-CD1 3.93Å; F241-Y281 HydrophobicContact CG-CD1 3.93Å; F241-Y281 HydrophobicContact CG-CD2 4.4Å; F241-Y281 HydrophobicContact CG-CE1 4.18Å; F241-Y281 HydrophobicContact CG-CG 4.07Å; F241-Y281 PolarHBondContact O-OH 3.09Å; F241-Y281 VanDerWaalsContact O-OH 3.07Å
242	R	90.4	Very high	88.3	Confident	123 Å²	123	46 Å²	46	46%	0.464	24%	0.238	S	C	.	.	H	α-helix	trans	-66.6	-47.4	176.9	-173.6	-176.5	-66.7	-173.7	-2.6	112.1	R238 R239 L240 N245 Y281	R238-R242 PolarHBondContact O-N 3.31Å; R239-R242 CarbonylContact O-C 3.54Å; R239-R242 WeakPolarHBondContact O-CA 3.44Å; R239-R242 WeakPolarHBondContact O-CB 3.46Å; R239-R242 PolarHBondContact O-N 2.92Å; L240-R242 VanDerWaalsContact C-N 3.31Å; L240-R242 PolarHBondContact O-N 3.31Å; R242-N245 VanDerWaalsContact O-CA 3.31Å; R242-N245 WeakPolarHBondContact O-CA 3.48Å; R242-N245 PolarHBondContact O-N 3Å; R242-Y281 HydrophobicContact CB-CE2 4.17Å; R242-Y281 PolarHBondContact N-OH 3.48Å
243	D	91	Very high	88.7	Confident	98 Å²	98	48.6 Å²	48.6	52%	0.524	25%	0.25	S	C	.	.	H	α-helix	trans	-71.2	-36.4	-176.2	-57	-14.2	0	0	0	111.3	R239 L240 N245 R264	R239-D243 WeakPolarHBondContact O-CB 3.18Å; R239-D243 PolarHBondContact O-N 3.5Å; L240-D243 PolarHBondContact O-N 3.43Å; D243-N245 PolarHBondContact O-N 3.44Å; D243-R264 IonicContact OD2-CZ 3.49Å; D243-R264 IonicContact OD2-NH1 3.66Å; D243-R264 PolarHBondContact OD2-NH1 2.99Å; D243-R264 IonicContact OD2-NH2 2.79Å
244	C	90	Very high	89.2	Confident	31 Å²	31	51.2 Å²	51.2	21%	0.209	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	10.8	168	-64.5	0	0	0	0	113.1	L240 V246 L258 I259	L240-C244 VanDerWaalsContact CD1-SG 3.56Å; L240-C244 VanDerWaalsContact O-CB 3.26Å; L240-C244 WeakPolarHBondContact O-CB 3.41Å; L240-C244 PolarHBondContact O-N 3.32Å; L240-C244 PolarHBondContact O-SG 3.24Å; C244-V246 VanDerWaalsContact C-N 3.26Å; C244-V246 HydrophobicContact CB-CG2 4.13Å; C244-V246 PolarHBondContact O-N 3.01Å; C244-V246 VanDerWaalsContact O-N 3.14Å; C244-L258 HydrophobicContact CB-CB 4.35Å; C244-I259 HydrophobicContact CB-CG2 3.91Å
245	N	88.7	Confident	89.6	Confident	132 Å²	132	51.1 Å²	51.1	71%	0.706	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	41.3	174.5	-154	94.1	0	0	0	114.3	F241 R242 D243 P247	F241-N245 PolarHBondContact O-N 3.47Å; R242-N245 VanDerWaalsContact O-CA 3.31Å; R242-N245 WeakPolarHBondContact O-CA 3.48Å; R242-N245 PolarHBondContact O-N 3Å; D243-N245 PolarHBondContact O-N 3.44Å; N245-P247 VanDerWaalsContact O-CD 3.3Å; N245-P247 WeakPolarHBondContact O-CD 3.48Å
246	V	91	Very high	89.8	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.006	26%	0.261	C	S	.	.			trans	-71.7	118	-176.7	179.4	0	0	0	0	109.7	F241 C244 A250 A255 L258 I259 F278 Y281	F241-V246 HydrophobicContact CB-CB 4.21Å; F241-V246 HydrophobicContact CB-CG2 4.28Å; F241-V246 HydrophobicContact CD1-CG2 4.25Å; F241-V246 WeakPolarHBondContact O-CB 3.48Å; F241-V246 WeakPolarHBondContact O-CG2 3.47Å; F241-V246 PolarHBondContact O-N 2.95Å; C244-V246 VanDerWaalsContact C-N 3.26Å; C244-V246 HydrophobicContact CB-CG2 4.13Å; C244-V246 PolarHBondContact O-N 3.01Å; C244-V246 VanDerWaalsContact O-N 3.14Å; V246-A250 HydrophobicContact CG1-CB 3.97Å; V246-A255 HydrophobicContact CG1-CB 3.7Å; V246-L258 HydrophobicContact CG2-CB 4.15Å; V246-L258 HydrophobicContact CG2-CD1 3.92Å; V246-I259 HydrophobicContact CG2-CG2 4.12Å; V246-F278 HydrophobicContact CG1-CE2 4.03Å; V246-Y281 HydrophobicContact CB-CE1 4.03Å; V246-Y281 HydrophobicContact CG1-CE1 4.22Å; V246-Y281 VanDerWaalsContact O-CE1 3.29Å; V246-Y281 WeakPolarHBondContact O-CE1 3.17Å; V246-Y281 PolarHBondContact O-OH 2.88Å
247	P	88.8	Confident	90	Very high	64 Å²	64	59 Å²	59	42%	0.416	30%	0.295	S	S	.	.			trans	-69.3	151.9	-174.1	-22.6	34.3	0	0	0	114.6	N245 G249 A250	N245-P247 VanDerWaalsContact O-CD 3.3Å; N245-P247 WeakPolarHBondContact O-CD 3.48Å; P247-G249 PolarHBondContact O-N 3.32Å; P247-A250 WeakPolarHBondContact O-CB 3.39Å; P247-A250 PolarHBondContact O-N 2.86Å
248	G	87.3	Confident	90	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-13.3	171.9	0	0	0	0	0	114.9	K282 E289	G248-K282 WeakPolarHBondContact O-CE 3.31Å; G248-K282 WeakPolarHBondContact O-CG 3.46Å; G248-E289 PolarHBondContact N-OE1 3.22Å; G248-E289 PolarHBondContact N-OE2 2.8Å
249	G	88.2	Confident	90.1	Very high	53 Å²	53	61 Å²	61	55%	0.546	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-21.8	171.6	0	0	0	0	0	115.7	P247 K282	P247-G249 PolarHBondContact O-N 3.32Å; G249-K282 WeakPolarHBondContact O-CE 3.46Å; G249-K282 PolarHBondContact O-NZ 3.23Å
250	A	89.6	Confident	89.9	Confident	4 Å²	4	58 Å²	58	3%	0.033	31%	0.309	C	S	.	.			trans	-60.5	152.9	-159.1	0	0	0	0	0	115.9	V246 P247 Q254 F278 K282	V246-A250 HydrophobicContact CG1-CB 3.97Å; P247-A250 WeakPolarHBondContact O-CB 3.39Å; P247-A250 PolarHBondContact O-N 2.86Å; A250-Q254 HydrophobicContact CB-CB 4.35Å; A250-F278 HydrophobicContact CB-CZ 4.27Å; A250-F278 WeakPolarHBondContact O-CZ 3.48Å; A250-K282 WeakPolarHBondContact O-CD 3.23Å; A250-K282 WeakPolarHBondContact O-CE 3.42Å; A250-K282 PolarHBondContact O-NZ 3.3Å
251	T	92.2	Very high	89.6	Confident	64 Å²	64	61.6 Å²	61.6	39%	0.393	35%	0.346	S	S	.	.			trans	-81.3	161.2	163.3	74.5	0	0	0	0	110.8	E253 Q254 A255	T251-E253 PolarHBondContact O-N 3.14Å; T251-E253 PolarHBondContact OG1-N 3.12Å; T251-Q254 PolarHBondContact O-N 3.36Å; T251-Q254 WeakPolarHBondContact OG1-CG 3.42Å; T251-Q254 PolarHBondContact OG1-N 3.17Å; T251-Q254 VanDerWaalsContact OG1-N 3.14Å; T251-A255 PolarHBondContact O-N 2.82Å
252	W	90.8	Very high	89.3	Confident	26 Å²	26	63.4 Å²	63.4	10%	0.098	36%	0.356	C	S	.	.	H	α-helix	trans	-57.3	-37.9	174.4	176.6	-118.7	0	0	0	112	F241 A255 L256 Y265 F271 K274 K275 F278	F241-W252 HydrophobicContact CE1-CZ3 4.04Å; F241-W252 AromaticContact CZ-CZ3 3.93Å; F241-W252 HydrophobicContact CZ-CZ3 3.93Å; W252-A255 PolarHBondContact O-N 3Å; W252-L256 HydrophobicContact CD2-CD1 4.49Å; W252-L256 HydrophobicContact CD2-CG 4.28Å; W252-L256 HydrophobicContact CH2-CD2 4.01Å; W252-L256 HydrophobicContact CH2-CG 4.39Å; W252-L256 HydrophobicContact CZ2-CD1 4.23Å; W252-L256 HydrophobicContact CZ2-CD2 3.66Å; W252-L256 HydrophobicContact CZ2-CG 3.94Å; W252-L256 WeakPolarHBondContact O-CB 3.05Å; W252-L256 VanDerWaalsContact O-CG 3.3Å; W252-L256 WeakPolarHBondContact O-CG 3.28Å; W252-L256 PolarHBondContact O-N 2.92Å; W252-Y265 HydrophobicContact CH2-CE2 4.31Å; W252-F271 AromaticContact CD1-CE2 3.99Å; W252-F271 AromaticContact CD1-CZ 3.93Å; W252-F271 AromaticContact NE1-CD2 3.95Å; W252-F271 AromaticContact NE1-CE2 3.17Å; W252-F271 AromaticContact NE1-CZ 3.48Å; W252-K274 HydrophobicContact CH2-CB 3.64Å; W252-K274 HydrophobicContact CZ2-CB 4.08Å; W252-K275 HydrophobicContact CD2-CG 4.44Å; W252-K275 HydrophobicContact CG-CG 4.49Å; W252-F278 HydrophobicContact CB-CD1 4.38Å; W252-F278 HydrophobicContact CB-CE1 4.24Å; W252-F278 HydrophobicContact CE3-CB 3.7Å; W252-F278 AromaticContact CE3-CD1 3.76Å; W252-F278 HydrophobicContact CE3-CD1 3.76Å; W252-F278 HydrophobicContact CE3-CD2 4.22Å; W252-F278 HydrophobicContact CE3-CE1 4.44Å; W252-F278 AromaticContact CE3-CG 3.61Å; W252-F278 HydrophobicContact CE3-CG 3.61Å; W252-F278 HydrophobicContact CZ3-CB 3.71Å; W252-F278 HydrophobicContact CZ3-CD2 4.46Å; W252-F278 HydrophobicContact CZ3-CG 4.01Å
253	E	91.4	Very high	88.9	Confident	140 Å²	140	61.8 Å²	61.8	65%	0.654	36%	0.361	S	S	*	.	H	α-helix	trans	-69.9	-35.2	177.5	-65.6	166.7	-163.1	0	0	113.2	T251 K257	T251-E253 PolarHBondContact O-N 3.14Å; T251-E253 PolarHBondContact OG1-N 3.12Å; E253-K257 WeakPolarHBondContact O-CG 3.37Å; E253-K257 PolarHBondContact O-N 3.35Å
254	Q	91.2	Very high	88.5	Confident	102 Å²	102	58.6 Å²	58.6	48%	0.477	34%	0.342	S	S	.	.	H	α-helix	trans	-68	-44.5	173.1	-72.6	166.5	-14.7	0	0	110.9	A250 T251 L256 K257 L258	A250-Q254 HydrophobicContact CB-CB 4.35Å; T251-Q254 PolarHBondContact O-N 3.36Å; T251-Q254 WeakPolarHBondContact OG1-CG 3.42Å; T251-Q254 PolarHBondContact OG1-N 3.17Å; T251-Q254 VanDerWaalsContact OG1-N 3.14Å; Q254-L256 VanDerWaalsContact C-N 3.35Å; Q254-L256 PolarHBondContact O-N 2.87Å; Q254-K257 PolarHBondContact O-N 2.91Å; Q254-L258 PolarHBondContact O-N 3.25Å
255	A	91.2	Very high	88.2	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-61	-43.1	174.5	0	0	0	0	0	111.8	F241 V246 T251 W252 K257 L258 I259 F278	F241-A255 HydrophobicContact CE1-CB 4.36Å; V246-A255 HydrophobicContact CG1-CB 3.7Å; T251-A255 PolarHBondContact O-N 2.82Å; W252-A255 PolarHBondContact O-N 3Å; A255-K257 VanDerWaalsContact C-N 3.34Å; A255-K257 PolarHBondContact O-N 3.05Å; A255-L258 PolarHBondContact O-N 3.33Å; A255-L258 VanDerWaalsContact O-N 3.1Å; A255-I259 WeakPolarHBondContact O-CG1 3.24Å; A255-I259 PolarHBondContact O-N 3.04Å; A255-I259 VanDerWaalsContact O-N 3.08Å; A255-F278 HydrophobicContact CB-CD2 3.92Å; A255-F278 HydrophobicContact CB-CE2 3.42Å; A255-F278 VanDerWaalsContact CB-CE2 3.42Å; A255-F278 HydrophobicContact CB-CZ 3.95Å
256	L	89.2	Confident	87.8	Confident	41 Å²	41	57.3 Å²	57.3	22%	0.215	34%	0.337	C	S	.	.	H	α-helix	trans	-54.9	-46	175	-81.7	176.3	0	0	0	112.3	W252 Q254 L258 I259 S260 Y265	W252-L256 HydrophobicContact CD2-CD1 4.49Å; W252-L256 HydrophobicContact CD2-CG 4.28Å; W252-L256 HydrophobicContact CH2-CD2 4.01Å; W252-L256 HydrophobicContact CH2-CG 4.39Å; W252-L256 HydrophobicContact CZ2-CD1 4.23Å; W252-L256 HydrophobicContact CZ2-CD2 3.66Å; W252-L256 HydrophobicContact CZ2-CG 3.94Å; W252-L256 WeakPolarHBondContact O-CB 3.05Å; W252-L256 VanDerWaalsContact O-CG 3.3Å; W252-L256 WeakPolarHBondContact O-CG 3.28Å; W252-L256 PolarHBondContact O-N 2.92Å; Q254-L256 VanDerWaalsContact C-N 3.35Å; Q254-L256 PolarHBondContact O-N 2.87Å; L256-L258 PolarHBondContact O-N 2.91Å; L256-I259 HydrophobicContact CD2-CD1 4.48Å; L256-I259 PolarHBondContact O-N 3.46Å; L256-S260 WeakPolarHBondContact O-CB 3.23Å; L256-S260 PolarHBondContact O-N 3.28Å; L256-S260 PolarHBondContact O-OG 2.97Å; L256-Y265 HydrophobicContact CD2-CE1 4.37Å; L256-Y265 HydrophobicContact CD2-CE2 3.52Å; L256-Y265 VanDerWaalsContact CD2-CZ 3.45Å; L256-Y265 VanDerWaalsContact CD2-OH 3.26Å; L256-Y265 WeakPolarHBondContact CD2-OH 3.31Å
257	K	89.8	Confident	87	Confident	171 Å²	171	59.2 Å²	59.2	74%	0.743	35%	0.347	S	S	*	.	H	α-helix	trans	-60.9	-27.7	178.6	-71.8	173.3	-177.3	-179	0	113.8	E253 Q254 A255	E253-K257 WeakPolarHBondContact O-CG 3.37Å; E253-K257 PolarHBondContact O-N 3.35Å; Q254-K257 PolarHBondContact O-N 2.91Å; A255-K257 VanDerWaalsContact C-N 3.34Å; A255-K257 PolarHBondContact O-N 3.05Å
258	L	89.6	Confident	86.5	Confident	93 Å²	93	56.4 Å²	56.4	49%	0.487	33%	0.328	S	S	.	.	H	α-helix	trans	-85.6	-32.1	179.3	-65.2	171.4	0	0	0	112.6	C244 V246 Q254 A255 L256	C244-L258 HydrophobicContact CB-CB 4.35Å; V246-L258 HydrophobicContact CG2-CB 4.15Å; V246-L258 HydrophobicContact CG2-CD1 3.92Å; Q254-L258 PolarHBondContact O-N 3.25Å; A255-L258 PolarHBondContact O-N 3.33Å; A255-L258 VanDerWaalsContact O-N 3.1Å; L256-L258 PolarHBondContact O-N 2.91Å
259	I	90.3	Very high	85.8	Confident	0 Å²	0	68 Å²	68	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-103.4	-17.7	-173.4	73.4	-166.1	0	0	0	114.6	L240 F241 C244 V246 A255 L256 G261 D262 Y265	L240-I259 HydrophobicContact CD1-CB 4.39Å; L240-I259 HydrophobicContact CD1-CG2 4.42Å; L240-I259 HydrophobicContact CD2-CB 3.93Å; L240-I259 HydrophobicContact CD2-CG2 4.33Å; L240-I259 HydrophobicContact CG-CB 4.03Å; L240-I259 HydrophobicContact CG-CG2 3.94Å; F241-I259 HydrophobicContact CD1-CD1 4.07Å; F241-I259 HydrophobicContact CD1-CG2 4.07Å; F241-I259 HydrophobicContact CE1-CD1 3.5Å; F241-I259 VanDerWaalsContact CE1-CD1 3.5Å; F241-I259 HydrophobicContact CZ-CD1 4.4Å; C244-I259 HydrophobicContact CB-CG2 3.91Å; V246-I259 HydrophobicContact CG2-CG2 4.12Å; A255-I259 WeakPolarHBondContact O-CG1 3.24Å; A255-I259 PolarHBondContact O-N 3.04Å; A255-I259 VanDerWaalsContact O-N 3.08Å; L256-I259 HydrophobicContact CD2-CD1 4.48Å; L256-I259 PolarHBondContact O-N 3.46Å; I259-G261 PolarHBondContact O-N 3.43Å; I259-G261 VanDerWaalsContact O-N 3.12Å; I259-D262 WeakPolarHBondContact O-CB 3.31Å; I259-D262 PolarHBondContact O-N 3.44Å; I259-Y265 HydrophobicContact CD1-CD2 3.64Å; I259-Y265 HydrophobicContact CD1-CE2 4.02Å; I259-Y265 HydrophobicContact CG1-CD2 3.68Å; I259-Y265 HydrophobicContact CG1-CE2 4.29Å; I259-Y265 HydrophobicContact CG1-CG 4.16Å; I259-Y265 WeakPolarHBondContact O-CB 3.48Å
260	S	85.4	Confident	85.4	Confident	74 Å²	74	68.5 Å²	68.5	52%	0.517	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.1	-167.3	59.9	0	0	0	0	115.1	L256	L256-S260 WeakPolarHBondContact O-CB 3.23Å; L256-S260 PolarHBondContact O-N 3.28Å; L256-S260 PolarHBondContact O-OG 2.97Å
261	G	83	Confident	85.2	Confident	76 Å²	76	73.3 Å²	73.3	78%	0.784	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-11.4	174.1	0	0	0	0	0	114.5	I259	I259-G261 PolarHBondContact O-N 3.43Å; I259-G261 VanDerWaalsContact O-N 3.12Å
262	D	86.2	Confident	85	Confident	38 Å²	38	75.3 Å²	75.3	20%	0.203	39%	0.393	C	S	.	.	S	Bend	trans	-85.4	129.9	-178.8	-168.4	-56.1	0	0	0	110.6	L240 I259 R264 Y265	L240-D262 HydrophobicContact CD1-CB 3.55Å; L240-D262 VanDerWaalsContact CD1-OD2 3.26Å; L240-D262 WeakPolarHBondContact CD1-OD2 3.35Å; I259-D262 WeakPolarHBondContact O-CB 3.31Å; I259-D262 PolarHBondContact O-N 3.44Å; D262-R264 PolarHBondContact O-N 3.31Å; D262-R264 WeakPolarHBondContact OD1-CA 3.38Å; D262-R264 WeakPolarHBondContact OD1-CB 3.48Å; D262-R264 WeakPolarHBondContact OD1-CG 3.46Å; D262-R264 IonicContact OD1-CZ 2.82Å; D262-R264 PolarHBondContact OD1-N 3.04Å; D262-R264 IonicContact OD1-NE 2.68Å; D262-R264 PolarHBondContact OD1-NE 2.88Å; D262-R264 IonicContact OD2-CZ 2.64Å; D262-R264 VanDerWaalsContact OD2-CZ 3.29Å; D262-R264 IonicContact OD2-NE 3.12Å; D262-R264 PolarHBondContact OD2-NE 3.32Å; D262-R264 IonicContact OD2-NH2 2.86Å; D262-R264 PolarHBondContact OD2-NH2 2.95Å; D262-Y265 WeakPolarHBondContact O-CB 3.08Å; D262-Y265 PolarHBondContact O-N 3.37Å
263	P	82.5	Confident	84.9	Confident	89 Å²	89	75.3 Å²	75.3	58%	0.578	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-52.5	-29.7	175.8	-28	35.8	0	0	0	114.1	Y265 S266	P263-Y265 PolarHBondContact O-N 3.44Å; P263-S266 WeakPolarHBondContact O-CB 3.47Å; P263-S266 PolarHBondContact O-N 3.33Å
264	R	82.6	Confident	84.8	Confident	32 Å²	32	69.3 Å²	69.3	12%	0.121	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-66.4	-23.1	177.5	-59.4	173.7	-68	167.7	3.1	112.4	L240 D243 D262 S266 I267	L240-R264 HydrophobicContact CB-CB 4.5Å; L240-R264 HydrophobicContact CD1-CB 4.33Å; L240-R264 HydrophobicContact CD2-CB 4.03Å; D243-R264 IonicContact OD2-CZ 3.49Å; D243-R264 IonicContact OD2-NH1 3.66Å; D243-R264 PolarHBondContact OD2-NH1 2.99Å; D243-R264 IonicContact OD2-NH2 2.79Å; D262-R264 PolarHBondContact O-N 3.31Å; D262-R264 WeakPolarHBondContact OD1-CA 3.38Å; D262-R264 WeakPolarHBondContact OD1-CB 3.48Å; D262-R264 WeakPolarHBondContact OD1-CG 3.46Å; D262-R264 IonicContact OD1-CZ 2.82Å; D262-R264 PolarHBondContact OD1-N 3.04Å; D262-R264 IonicContact OD1-NE 2.68Å; D262-R264 PolarHBondContact OD1-NE 2.88Å; D262-R264 IonicContact OD2-CZ 2.64Å; D262-R264 VanDerWaalsContact OD2-CZ 3.29Å; D262-R264 IonicContact OD2-NE 3.12Å; D262-R264 PolarHBondContact OD2-NE 3.32Å; D262-R264 IonicContact OD2-NH2 2.86Å; D262-R264 PolarHBondContact OD2-NH2 2.95Å; R264-S266 PolarHBondContact O-N 3.33Å; R264-I267 HydrophobicContact CB-CD1 3.81Å; R264-I267 HydrophobicContact CG-CD1 4.35Å; R264-I267 WeakPolarHBondContact O-CD1 3.42Å; R264-I267 WeakPolarHBondContact O-CG1 3.23Å; R264-I267 PolarHBondContact O-N 2.85Å
265	Y	83.8	Confident	84.7	Confident	45 Å²	45	68.7 Å²	68.7	18%	0.176	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-63.4	-30	170.9	176.7	-109.8	0	0	0	111.5	W252 L256 I259 D262 P263 I267 K274	W252-Y265 HydrophobicContact CH2-CE2 4.31Å; L256-Y265 HydrophobicContact CD2-CE1 4.37Å; L256-Y265 HydrophobicContact CD2-CE2 3.52Å; L256-Y265 VanDerWaalsContact CD2-CZ 3.45Å; L256-Y265 VanDerWaalsContact CD2-OH 3.26Å; L256-Y265 WeakPolarHBondContact CD2-OH 3.31Å; I259-Y265 HydrophobicContact CD1-CD2 3.64Å; I259-Y265 HydrophobicContact CD1-CE2 4.02Å; I259-Y265 HydrophobicContact CG1-CD2 3.68Å; I259-Y265 HydrophobicContact CG1-CE2 4.29Å; I259-Y265 HydrophobicContact CG1-CG 4.16Å; I259-Y265 WeakPolarHBondContact O-CB 3.48Å; D262-Y265 WeakPolarHBondContact O-CB 3.08Å; D262-Y265 PolarHBondContact O-N 3.37Å; P263-Y265 PolarHBondContact O-N 3.44Å; Y265-I267 VanDerWaalsContact C-N 3.34Å; Y265-I267 PolarHBondContact O-N 3.29Å; Y265-K274 HydrophobicContact CE2-CD 3.84Å; Y265-K274 VanDerWaalsContact CZ-NZ 3.29Å; Y265-K274 WeakPolarHBondContact O-CE 3.32Å; Y265-K274 PolarHBondContact O-NZ 3Å
266	S	79	Confident	84.7	Confident	91 Å²	91	74.6 Å²	74.6	64%	0.636	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-79.3	-9.6	-176.7	-65	0	0	0	0	115	P263 R264 L268	P263-S266 WeakPolarHBondContact O-CB 3.47Å; P263-S266 PolarHBondContact O-N 3.33Å; R264-S266 PolarHBondContact O-N 3.33Å; S266-L268 PolarHBondContact O-N 3.04Å
267	I	75.4	Confident	84.7	Confident	40 Å²	40	73.5 Å²	73.5	21%	0.205	38%	0.384	C	S	.	.	S	Bend	trans	-55.4	-53.8	-179.4	-58.1	159.8	0	0	0	111.2	Y227 M233 R264 Y265	Y227-I267 HydrophobicContact CD1-CD1 4.47Å; Y227-I267 HydrophobicContact CD2-CD1 3.37Å; Y227-I267 HydrophobicContact CD2-CG1 3.8Å; Y227-I267 HydrophobicContact CD2-CG2 4.15Å; Y227-I267 HydrophobicContact CE1-CD1 4.26Å; Y227-I267 HydrophobicContact CE2-CD1 3.11Å; Y227-I267 HydrophobicContact CE2-CG1 3.9Å; Y227-I267 HydrophobicContact CG-CD1 4.07Å; Y227-I267 HydrophobicContact CG-CG2 4.31Å; M233-I267 HydrophobicContact CB-CG2 3.9Å; M233-I267 HydrophobicContact CG-CG2 3.45Å; M233-I267 VanDerWaalsContact CG-CG2 3.45Å; M233-I267 HydrophobicContact SD-CG2 3.61Å; R264-I267 HydrophobicContact CB-CD1 3.81Å; R264-I267 HydrophobicContact CG-CD1 4.35Å; R264-I267 WeakPolarHBondContact O-CD1 3.42Å; R264-I267 WeakPolarHBondContact O-CG1 3.23Å; R264-I267 PolarHBondContact O-N 2.85Å; Y265-I267 VanDerWaalsContact C-N 3.34Å; Y265-I267 PolarHBondContact O-N 3.29Å
268	L	76.7	Confident	84.8	Confident	5 Å²	5	65.6 Å²	65.6	3%	0.026	35%	0.349	C	S	.	.			trans	-88.9	111.8	-176.8	-73.8	163.5	0	0	0	110	M233 L237 S266 T270 K274 I277	M233-L268 HydrophobicContact CB-CD2 3.8Å; M233-L268 HydrophobicContact CB-CG 4.08Å; M233-L268 HydrophobicContact CE-CD2 4.43Å; M233-L268 HydrophobicContact SD-CD2 4.14Å; L237-L268 HydrophobicContact CB-CD1 4.09Å; L237-L268 HydrophobicContact CD2-CD1 3.97Å; L237-L268 HydrophobicContact CG-CD1 4.43Å; S266-L268 PolarHBondContact O-N 3.04Å; L268-T270 VanDerWaalsContact C-N 3.33Å; L268-T270 PolarHBondContact O-N 3.06Å; L268-K274 HydrophobicContact CB-CD 4.19Å; L268-K274 HydrophobicContact CB-CG 3.66Å; L268-K274 HydrophobicContact CD1-CG 4.25Å; L268-K274 WeakPolarHBondContact O-CD 3.47Å; L268-K274 WeakPolarHBondContact O-CE 3.47Å; L268-K274 PolarHBondContact O-NZ 2.93Å; L268-I277 HydrophobicContact CD1-CD1 3.41Å; L268-I277 VanDerWaalsContact CD1-CD1 3.41Å
269	R	73.3	Confident	84.9	Confident	243 Å²	243	65.1 Å²	65.1	92%	0.917	35%	0.347	S	S	*	.			trans	-68.8	-32.2	178.7	-62.2	-174.5	-178.5	-164.2	0.2	112.4
270	T	81.1	Confident	84.9	Confident	64 Å²	64	69.6 Å²	69.6	39%	0.393	37%	0.374	S	S	.	.			trans	-85	119.3	-172.2	-33.9	0	0	0	0	112.3	L268 N272 E273 K274	L268-T270 VanDerWaalsContact C-N 3.33Å; L268-T270 PolarHBondContact O-N 3.06Å; T270-N272 VanDerWaalsContact C-N 3.27Å; T270-N272 HydrophobicContact CG2-CB 4.25Å; T270-N272 PolarHBondContact O-N 3.2Å; T270-E273 WeakPolarHBondContact CB-OE2 3.35Å; T270-E273 HydrophobicContact CG2-CG 4.16Å; T270-E273 PolarHBondContact O-N 2.93Å; T270-E273 PolarHBondContact OG1-OE2 3.35Å; T270-K274 WeakPolarHBondContact O-CG 3.44Å; T270-K274 PolarHBondContact O-N 3.1Å
271	F	84.9	Confident	85.3	Confident	106 Å²	106	66.6 Å²	66.6	47%	0.465	35%	0.352	S	S	.	.	H	α-helix	trans	-53.6	-42.4	172.8	175.6	-89	0	0	0	112.7	W252 K274 K275	W252-F271 AromaticContact CD1-CE2 3.99Å; W252-F271 AromaticContact CD1-CZ 3.93Å; W252-F271 AromaticContact NE1-CD2 3.95Å; W252-F271 AromaticContact NE1-CE2 3.17Å; W252-F271 AromaticContact NE1-CZ 3.48Å; F271-K274 PolarHBondContact O-N 2.69Å; F271-K275 HydrophobicContact CE1-CD 3.91Å; F271-K275 HydrophobicContact CZ-CD 4.33Å; F271-K275 WeakPolarHBondContact O-CB 3.18Å; F271-K275 PolarHBondContact O-N 3.11Å
272	N	86.6	Confident	85.7	Confident	106 Å²	106	65.9 Å²	65.9	57%	0.567	33%	0.327	S	S	*	.	H	α-helix	trans	-65	-42.7	-177.5	-68.7	-23.6	0	0	0	112.7	T270 K275 Q276	T270-N272 VanDerWaalsContact C-N 3.27Å; T270-N272 HydrophobicContact CG2-CB 4.25Å; T270-N272 PolarHBondContact O-N 3.2Å; N272-K275 PolarHBondContact O-N 3.5Å; N272-Q276 WeakPolarHBondContact O-CG 3.45Å; N272-Q276 PolarHBondContact O-N 3.28Å
273	E	88.6	Confident	86	Confident	26 Å²	26	68.9 Å²	68.9	12%	0.121	35%	0.347	C	S	.	.	H	α-helix	trans	-62.6	-47.8	177.4	-64.4	178	123.8	0	0	110.7	R230 T270 K275 Q276 I277	R230-E273 IonicContact CZ-OE1 3.71Å; R230-E273 IonicContact NE-OE1 2.87Å; R230-E273 PolarHBondContact NE-OE1 2.62Å; R230-E273 IonicContact NH2-OE1 3.13Å; R230-E273 PolarHBondContact NH2-OE1 2.77Å; T270-E273 WeakPolarHBondContact CB-OE2 3.35Å; T270-E273 HydrophobicContact CG2-CG 4.16Å; T270-E273 PolarHBondContact O-N 2.93Å; T270-E273 PolarHBondContact OG1-OE2 3.35Å; E273-K275 VanDerWaalsContact C-N 3.3Å; E273-K275 PolarHBondContact O-N 2.91Å; E273-Q276 WeakPolarHBondContact O-CB 3.34Å; E273-Q276 PolarHBondContact O-N 3.17Å; E273-Q276 VanDerWaalsContact O-N 3.16Å; E273-I277 WeakPolarHBondContact O-CD1 3.26Å; E273-I277 VanDerWaalsContact O-CG1 3.25Å; E273-I277 WeakPolarHBondContact O-CG1 3.37Å; E273-I277 PolarHBondContact O-N 3.47Å
274	K	89.7	Confident	86.4	Confident	13 Å²	13	68.4 Å²	68.4	6%	0.057	34%	0.337	C	S	.	.	H	α-helix	trans	-56.4	-43.9	176.8	-68.6	168.6	136.5	163.1	0	112.2	L237 W252 Y265 L268 T270 F271 I277 F278	L237-K274 HydrophobicContact CD2-CB 3.95Å; L237-K274 HydrophobicContact CD2-CG 3.99Å; W252-K274 HydrophobicContact CH2-CB 3.64Å; W252-K274 HydrophobicContact CZ2-CB 4.08Å; Y265-K274 HydrophobicContact CE2-CD 3.84Å; Y265-K274 VanDerWaalsContact CZ-NZ 3.29Å; Y265-K274 WeakPolarHBondContact O-CE 3.32Å; Y265-K274 PolarHBondContact O-NZ 3Å; L268-K274 HydrophobicContact CB-CD 4.19Å; L268-K274 HydrophobicContact CB-CG 3.66Å; L268-K274 HydrophobicContact CD1-CG 4.25Å; L268-K274 WeakPolarHBondContact O-CD 3.47Å; L268-K274 WeakPolarHBondContact O-CE 3.47Å; L268-K274 PolarHBondContact O-NZ 2.93Å; T270-K274 WeakPolarHBondContact O-CG 3.44Å; T270-K274 PolarHBondContact O-N 3.1Å; F271-K274 PolarHBondContact O-N 2.69Å; K274-I277 PolarHBondContact O-N 3.29Å; K274-F278 WeakPolarHBondContact O-CB 3.33Å; K274-F278 PolarHBondContact O-N 2.93Å
275	K	89.3	Confident	86.9	Confident	89 Å²	89	69.3 Å²	69.3	39%	0.387	34%	0.34	S	S	.	.	H	α-helix	trans	-69	-35.7	177.9	-169.3	176.3	179.7	-178	0	112.6	W252 F271 N272 E273 N279	W252-K275 HydrophobicContact CD2-CG 4.44Å; W252-K275 HydrophobicContact CG-CG 4.49Å; F271-K275 HydrophobicContact CE1-CD 3.91Å; F271-K275 HydrophobicContact CZ-CD 4.33Å; F271-K275 WeakPolarHBondContact O-CB 3.18Å; F271-K275 PolarHBondContact O-N 3.11Å; N272-K275 PolarHBondContact O-N 3.5Å; E273-K275 VanDerWaalsContact C-N 3.3Å; E273-K275 PolarHBondContact O-N 2.91Å; K275-N279 PolarHBondContact O-N 3.45Å; K275-N279 PolarHBondContact O-OD1 2.92Å
276	Q	90.7	Very high	87.2	Confident	124 Å²	124	70 Å²	70	58%	0.579	35%	0.347	S	S	*	.	H	α-helix	trans	-64.1	-48.9	172.4	-76.3	170.5	-22	0	0	111.4	N272 E273 F278 N279 V280	N272-Q276 WeakPolarHBondContact O-CG 3.45Å; N272-Q276 PolarHBondContact O-N 3.28Å; E273-Q276 WeakPolarHBondContact O-CB 3.34Å; E273-Q276 PolarHBondContact O-N 3.17Å; E273-Q276 VanDerWaalsContact O-N 3.16Å; Q276-F278 VanDerWaalsContact C-N 3.29Å; Q276-F278 PolarHBondContact O-N 3.24Å; Q276-N279 PolarHBondContact O-N 2.85Å; Q276-N279 VanDerWaalsContact O-N 3.15Å; Q276-V280 PolarHBondContact O-N 3.34Å; Q276-V280 VanDerWaalsContact O-N 3.16Å
277	I	90.4	Very high	87.9	Confident	18 Å²	18	71.6 Å²	71.6	9%	0.092	34%	0.342	C	S	.	.	H	α-helix	trans	-62.2	-39.6	178.2	-60.9	154.5	0	0	0	110.7	A234 L237 R238 F241 L268 E273 K274 V280 Y281	A234-I277 HydrophobicContact CB-CD1 3.72Å; A234-I277 HydrophobicContact CB-CG1 3.97Å; A234-I277 WeakPolarHBondContact O-CG2 3.32Å; L237-I277 HydrophobicContact CB-CG2 4.24Å; L237-I277 HydrophobicContact CD2-CB 4.11Å; L237-I277 HydrophobicContact CD2-CD1 4.07Å; L237-I277 HydrophobicContact CD2-CG2 4.18Å; R238-I277 HydrophobicContact CG-CG2 3.78Å; F241-I277 HydrophobicContact CE2-CG2 4.19Å; L268-I277 HydrophobicContact CD1-CD1 3.41Å; L268-I277 VanDerWaalsContact CD1-CD1 3.41Å; E273-I277 WeakPolarHBondContact O-CD1 3.26Å; E273-I277 VanDerWaalsContact O-CG1 3.25Å; E273-I277 WeakPolarHBondContact O-CG1 3.37Å; E273-I277 PolarHBondContact O-N 3.47Å; K274-I277 PolarHBondContact O-N 3.29Å; I277-V280 PolarHBondContact O-N 3.2Å; I277-Y281 WeakPolarHBondContact O-CB 3.31Å; I277-Y281 PolarHBondContact O-N 3.42Å
278	F	91.6	Very high	88.6	Confident	5 Å²	5	71.9 Å²	71.9	2%	0.022	34%	0.343	C	S	.	.	H	α-helix	trans	-59.3	-44.9	172.8	175.8	-109	0	0	0	112.8	F241 V246 A250 W252 A255 K274 Q276 V280 Y281 K282	F241-F278 HydrophobicContact CD1-CD2 4.14Å; F241-F278 HydrophobicContact CE1-CB 4.29Å; F241-F278 AromaticContact CE1-CD2 3.75Å; F241-F278 HydrophobicContact CE1-CD2 3.75Å; F241-F278 HydrophobicContact CE1-CG 4.43Å; F241-F278 HydrophobicContact CE2-CB 4Å; F241-F278 HydrophobicContact CE2-CD2 4.37Å; F241-F278 HydrophobicContact CZ-CB 3.63Å; F241-F278 AromaticContact CZ-CD2 3.92Å; F241-F278 HydrophobicContact CZ-CD2 3.92Å; F241-F278 HydrophobicContact CZ-CG 4.24Å; V246-F278 HydrophobicContact CG1-CE2 4.03Å; A250-F278 HydrophobicContact CB-CZ 4.27Å; A250-F278 WeakPolarHBondContact O-CZ 3.48Å; W252-F278 HydrophobicContact CB-CD1 4.38Å; W252-F278 HydrophobicContact CB-CE1 4.24Å; W252-F278 HydrophobicContact CE3-CB 3.7Å; W252-F278 AromaticContact CE3-CD1 3.76Å; W252-F278 HydrophobicContact CE3-CD1 3.76Å; W252-F278 HydrophobicContact CE3-CD2 4.22Å; W252-F278 HydrophobicContact CE3-CE1 4.44Å; W252-F278 AromaticContact CE3-CG 3.61Å; W252-F278 HydrophobicContact CE3-CG 3.61Å; W252-F278 HydrophobicContact CZ3-CB 3.71Å; W252-F278 HydrophobicContact CZ3-CD2 4.46Å; W252-F278 HydrophobicContact CZ3-CG 4.01Å; A255-F278 HydrophobicContact CB-CD2 3.92Å; A255-F278 HydrophobicContact CB-CE2 3.42Å; A255-F278 VanDerWaalsContact CB-CE2 3.42Å; A255-F278 HydrophobicContact CB-CZ 3.95Å; K274-F278 WeakPolarHBondContact O-CB 3.33Å; K274-F278 PolarHBondContact O-N 2.93Å; Q276-F278 VanDerWaalsContact C-N 3.29Å; Q276-F278 PolarHBondContact O-N 3.24Å; F278-V280 VanDerWaalsContact C-N 3.3Å; F278-V280 PolarHBondContact O-N 3.47Å; F278-Y281 PolarHBondContact O-N 2.97Å; F278-K282 HydrophobicContact CE1-CD 4.24Å; F278-K282 HydrophobicContact CZ-CB 4.49Å; F278-K282 HydrophobicContact CZ-CD 4.22Å; F278-K282 WeakPolarHBondContact O-CB 3.39Å; F278-K282 PolarHBondContact O-N 2.82Å
279	N	91.5	Very high	89.2	Confident	84 Å²	84	74.9 Å²	74.9	45%	0.449	36%	0.357	S	S	.	.	H	α-helix	trans	-61.5	-39.1	178.5	-69.6	-12.5	0	0	0	112	K275 Q276 T283	K275-N279 PolarHBondContact O-N 3.45Å; K275-N279 PolarHBondContact O-OD1 2.92Å; Q276-N279 PolarHBondContact O-N 2.85Å; Q276-N279 VanDerWaalsContact O-N 3.15Å; N279-T283 WeakPolarHBondContact O-CB 3.41Å; N279-T283 PolarHBondContact O-N 2.85Å; N279-T283 VanDerWaalsContact O-N 3.13Å; N279-T283 PolarHBondContact O-OG1 2.55Å
280	V	91.6	Very high	90.1	Very high	93 Å²	93	70.4 Å²	70.4	56%	0.564	34%	0.34	S	S	*	.	H	α-helix	trans	-66.6	-51	174.6	177	0	0	0	0	110.9	Q276 I277 F278 K282 T283 Q284	Q276-V280 PolarHBondContact O-N 3.34Å; Q276-V280 VanDerWaalsContact O-N 3.16Å; I277-V280 PolarHBondContact O-N 3.2Å; F278-V280 VanDerWaalsContact C-N 3.3Å; F278-V280 PolarHBondContact O-N 3.47Å; V280-K282 VanDerWaalsContact C-N 3.33Å; V280-K282 PolarHBondContact O-N 3.31Å; V280-T283 PolarHBondContact O-N 3.31Å; V280-Q284 PolarHBondContact O-N 2.8Å
281	Y	92.9	Very high	90.7	Very high	12 Å²	12	70.9 Å²	70.9	5%	0.047	34%	0.338	C	S	.	.	H	α-helix	trans	-54.7	-47.8	176.6	168.6	-90.3	0	0	0	111.9	F241 R242 V246 I277 F278 T283 Q284 R285	F241-Y281 VanDerWaalsContact C-OH 3.31Å; F241-Y281 HydrophobicContact CB-CD1 3.61Å; F241-Y281 HydrophobicContact CB-CD2 3.71Å; F241-Y281 HydrophobicContact CB-CE1 3.42Å; F241-Y281 VanDerWaalsContact CB-CE1 3.42Å; F241-Y281 HydrophobicContact CB-CE2 3.49Å; F241-Y281 VanDerWaalsContact CB-CE2 3.49Å; F241-Y281 HydrophobicContact CB-CG 3.77Å; F241-Y281 HydrophobicContact CD2-CD1 4Å; F241-Y281 HydrophobicContact CD2-CD2 4.17Å; F241-Y281 AromaticContact CD2-CG 3.74Å; F241-Y281 HydrophobicContact CD2-CG 3.74Å; F241-Y281 AromaticContact CG-CD1 3.93Å; F241-Y281 HydrophobicContact CG-CD1 3.93Å; F241-Y281 HydrophobicContact CG-CD2 4.4Å; F241-Y281 HydrophobicContact CG-CE1 4.18Å; F241-Y281 HydrophobicContact CG-CG 4.07Å; F241-Y281 PolarHBondContact O-OH 3.09Å; F241-Y281 VanDerWaalsContact O-OH 3.07Å; R242-Y281 HydrophobicContact CB-CE2 4.17Å; R242-Y281 PolarHBondContact N-OH 3.48Å; V246-Y281 HydrophobicContact CB-CE1 4.03Å; V246-Y281 HydrophobicContact CG1-CE1 4.22Å; V246-Y281 VanDerWaalsContact O-CE1 3.29Å; V246-Y281 WeakPolarHBondContact O-CE1 3.17Å; V246-Y281 PolarHBondContact O-OH 2.88Å; I277-Y281 WeakPolarHBondContact O-CB 3.31Å; I277-Y281 PolarHBondContact O-N 3.42Å; F278-Y281 PolarHBondContact O-N 2.97Å; Y281-T283 PolarHBondContact O-N 3.02Å; Y281-Q284 PolarHBondContact O-N 3.45Å; Y281-R285 HydrophobicContact CD1-CG 4.21Å; Y281-R285 HydrophobicContact CD2-CG 4.13Å; Y281-R285 HydrophobicContact CE1-CG 3.64Å; Y281-R285 HydrophobicContact CE2-CG 3.57Å; Y281-R285 HydrophobicContact CG-CG 4.42Å; Y281-R285 WeakPolarHBondContact O-CB 3.3Å; Y281-R285 PolarHBondContact O-N 3.34Å; Y281-R285 WeakPolarHBondContact OH-CD 3.49Å; Y281-R285 WeakPolarHBondContact OH-CG 3.18Å
282	K	92.2	Very high	91	Very high	60 Å²	60	70.7 Å²	70.7	26%	0.261	34%	0.338	S	S	.	.	H	α-helix	trans	-58.3	-46.9	179.2	-176.4	-179.5	179.1	165.9	0	111.3	G248 G249 A250 F278 V280 L286	G248-K282 WeakPolarHBondContact O-CE 3.31Å; G248-K282 WeakPolarHBondContact O-CG 3.46Å; G249-K282 WeakPolarHBondContact O-CE 3.46Å; G249-K282 PolarHBondContact O-NZ 3.23Å; A250-K282 WeakPolarHBondContact O-CD 3.23Å; A250-K282 WeakPolarHBondContact O-CE 3.42Å; A250-K282 PolarHBondContact O-NZ 3.3Å; F278-K282 HydrophobicContact CE1-CD 4.24Å; F278-K282 HydrophobicContact CZ-CB 4.49Å; F278-K282 HydrophobicContact CZ-CD 4.22Å; F278-K282 WeakPolarHBondContact O-CB 3.39Å; F278-K282 PolarHBondContact O-N 2.82Å; V280-K282 VanDerWaalsContact C-N 3.33Å; V280-K282 PolarHBondContact O-N 3.31Å; K282-L286 VanDerWaalsContact O-CB 3.28Å; K282-L286 WeakPolarHBondContact O-CB 3.4Å; K282-L286 PolarHBondContact O-N 3.44Å
283	T	91.3	Very high	91.2	Very high	101 Å²	101	71.4 Å²	71.4	62%	0.62	34%	0.338	S	S	*	.	H	α-helix	trans	-65	-42.4	-179.6	-54.3	0	0	0	0	111.5	N279 V280 Y281 K287	N279-T283 WeakPolarHBondContact O-CB 3.41Å; N279-T283 PolarHBondContact O-N 2.85Å; N279-T283 VanDerWaalsContact O-N 3.13Å; N279-T283 PolarHBondContact O-OG1 2.55Å; V280-T283 PolarHBondContact O-N 3.31Å; Y281-T283 PolarHBondContact O-N 3.02Å; T283-K287 PolarHBondContact O-N 3.18Å
284	Q	91.7	Very high	91.4	Very high	80 Å²	80	77.6 Å²	77.6	37%	0.374	36%	0.36	S	S	.	.	H	α-helix	trans	-70	-46.3	178.7	178.9	60.9	14.4	0	0	112.3	V280 Y281 L286 K287 E288	V280-Q284 PolarHBondContact O-N 2.8Å; Y281-Q284 PolarHBondContact O-N 3.45Å; Q284-L286 VanDerWaalsContact C-N 3.31Å; Q284-L286 PolarHBondContact O-N 2.92Å; Q284-K287 WeakPolarHBondContact O-CA 3.36Å; Q284-K287 WeakPolarHBondContact O-CB 3.45Å; Q284-K287 PolarHBondContact O-N 2.79Å; Q284-E288 HydrophobicContact CG-CG 4.4Å; Q284-E288 WeakPolarHBondContact CG-OE1 3.31Å; Q284-E288 PolarHBondContact NE2-OE1 3.15Å; Q284-E288 WeakPolarHBondContact O-CG 3.16Å; Q284-E288 PolarHBondContact O-N 3.26Å
285	R	92.3	Very high	91.6	Very high	50 Å²	50	81.8 Å²	81.8	19%	0.189	38%	0.382	C	S	.	.	H	α-helix	trans	-55.8	-45.4	173.3	-81.8	-75.6	101.2	168.5	-4.6	111.7	Y281 K287 E288 E289	Y281-R285 HydrophobicContact CD1-CG 4.21Å; Y281-R285 HydrophobicContact CD2-CG 4.13Å; Y281-R285 HydrophobicContact CE1-CG 3.64Å; Y281-R285 HydrophobicContact CE2-CG 3.57Å; Y281-R285 HydrophobicContact CG-CG 4.42Å; Y281-R285 WeakPolarHBondContact O-CB 3.3Å; Y281-R285 PolarHBondContact O-N 3.34Å; Y281-R285 WeakPolarHBondContact OH-CD 3.49Å; Y281-R285 WeakPolarHBondContact OH-CG 3.18Å; R285-K287 PolarHBondContact O-N 2.9Å; R285-E288 IonicContact CZ-OE2 3.65Å; R285-E288 IonicContact NE-OE2 3.17Å; R285-E288 PolarHBondContact NE-OE2 2.93Å; R285-E288 IonicContact NH2-OE2 2.65Å; R285-E288 PolarHBondContact NH2-OE2 2.97Å; R285-E288 PolarHBondContact O-N 2.92Å; R285-E288 VanDerWaalsContact O-N 3.12Å; R285-E289 VanDerWaalsContact O-CB 3.3Å; R285-E289 WeakPolarHBondContact O-CB 3.4Å; R285-E289 WeakPolarHBondContact O-CG 3.48Å; R285-E289 PolarHBondContact O-N 2.92Å
286	L	91	Very high	91.8	Very high	60 Å²	60	86 Å²	86	31%	0.314	40%	0.396	S	S	.	.	H	α-helix	trans	-66.8	-18.5	178.6	-165.8	67.3	0	0	0	112.7	K282 Q284 R290	K282-L286 VanDerWaalsContact O-CB 3.28Å; K282-L286 WeakPolarHBondContact O-CB 3.4Å; K282-L286 PolarHBondContact O-N 3.44Å; Q284-L286 VanDerWaalsContact C-N 3.31Å; Q284-L286 PolarHBondContact O-N 2.92Å; L286-R290 WeakPolarHBondContact O-CG 3.47Å; L286-R290 PolarHBondContact O-NH1 3.31Å
287	K	92.4	Very high	91.9	Very high	124 Å²	124	83.5 Å²	83.5	54%	0.539	39%	0.386	S	S	.	.	H	α-helix	trans	-79.7	-48.4	168.2	-173.2	-170.7	175.2	-166.8	0	110.7	T283 Q284 R285 R290 E291	T283-K287 PolarHBondContact O-N 3.18Å; Q284-K287 WeakPolarHBondContact O-CA 3.36Å; Q284-K287 WeakPolarHBondContact O-CB 3.45Å; Q284-K287 PolarHBondContact O-N 2.79Å; R285-K287 PolarHBondContact O-N 2.9Å; K287-R290 PolarHBondContact O-N 3.1Å; K287-E291 PolarHBondContact O-N 3.17Å; K287-E291 VanDerWaalsContact O-N 3.15Å
288	E	91.3	Very high	92.1	Very high	46 Å²	46	88.9 Å²	88.9	22%	0.215	41%	0.408	C	S	.	.	H	α-helix	trans	-60.4	-49.8	179.5	-67.9	165.5	164.7	0	0	111.6	Q284 R285 R290 E291 E292	Q284-E288 HydrophobicContact CG-CG 4.4Å; Q284-E288 WeakPolarHBondContact CG-OE1 3.31Å; Q284-E288 PolarHBondContact NE2-OE1 3.15Å; Q284-E288 WeakPolarHBondContact O-CG 3.16Å; Q284-E288 PolarHBondContact O-N 3.26Å; R285-E288 IonicContact CZ-OE2 3.65Å; R285-E288 IonicContact NE-OE2 3.17Å; R285-E288 PolarHBondContact NE-OE2 2.93Å; R285-E288 IonicContact NH2-OE2 2.65Å; R285-E288 PolarHBondContact NH2-OE2 2.97Å; R285-E288 PolarHBondContact O-N 2.92Å; R285-E288 VanDerWaalsContact O-N 3.12Å; E288-R290 VanDerWaalsContact C-N 3.26Å; E288-R290 PolarHBondContact O-N 3.1Å; E288-E291 PolarHBondContact O-N 2.67Å; E288-E292 WeakPolarHBondContact O-CG 3.46Å; E288-E292 PolarHBondContact O-N 3.05Å
289	E	89.8	Confident	92.3	Very high	69 Å²	69	96.6 Å²	96.6	32%	0.322	44%	0.437	S	S	.	.	H	α-helix	trans	-53.7	-39	176.5	-72.9	164.7	-176.6	0	0	112.4	G248 R285 Q293	G248-E289 PolarHBondContact N-OE1 3.22Å; G248-E289 PolarHBondContact N-OE2 2.8Å; R285-E289 VanDerWaalsContact O-CB 3.3Å; R285-E289 WeakPolarHBondContact O-CB 3.4Å; R285-E289 WeakPolarHBondContact O-CG 3.48Å; R285-E289 PolarHBondContact O-N 2.92Å; E289-Q293 WeakPolarHBondContact O-CB 3.46Å; E289-Q293 PolarHBondContact O-N 3.48Å; E289-Q293 VanDerWaalsContact O-N 3.13Å
290	R	91.8	Very high	92.5	Very high	148 Å²	148	93.4 Å²	93.4	56%	0.558	42%	0.423	S	S	*	.	H	α-helix	trans	-73.6	-36.9	177.2	-72.1	-174.1	-162.4	108	-16.6	113	L286 K287 E288 Q293 R294	L286-R290 WeakPolarHBondContact O-CG 3.47Å; L286-R290 PolarHBondContact O-NH1 3.31Å; K287-R290 PolarHBondContact O-N 3.1Å; E288-R290 VanDerWaalsContact C-N 3.26Å; E288-R290 PolarHBondContact O-N 3.1Å; R290-Q293 PolarHBondContact O-N 3.25Å; R290-R294 PolarHBondContact O-N 2.67Å
291	E	92.7	Very high	92.7	Very high	74 Å²	74	91.7 Å²	91.7	35%	0.346	41%	0.408	S	S	.	.	H	α-helix	trans	-74.6	-41.6	-179.9	-160.2	62.4	-123.1	0	0	110.9	K287 E288 Q293 R294 I295	K287-E291 PolarHBondContact O-N 3.17Å; K287-E291 VanDerWaalsContact O-N 3.15Å; E288-E291 PolarHBondContact O-N 2.67Å; E291-Q293 VanDerWaalsContact C-N 3.25Å; E291-Q293 PolarHBondContact O-N 2.65Å; E291-R294 PolarHBondContact O-N 2.73Å; E291-R294 VanDerWaalsContact O-N 3.13Å; E291-R294 WeakPolarHBondContact OE1-CD 3.25Å; E291-R294 IonicContact OE1-CZ 3.43Å; E291-R294 IonicContact OE1-NE 2.69Å; E291-R294 IonicContact OE1-NH1 3.23Å; E291-R294 PolarHBondContact OE1-NH1 3Å; E291-R294 IonicContact OE2-CZ 3Å; E291-R294 IonicContact OE2-NH1 3.7Å; E291-R294 PolarHBondContact OE2-NH1 3.49Å; E291-I295 HydrophobicContact CG-CD1 4.14Å; E291-I295 WeakPolarHBondContact O-CG1 3.32Å; E291-I295 PolarHBondContact O-N 3.32Å
292	E	91.7	Very high	92.8	Very high	102 Å²	102	94.1 Å²	94.1	48%	0.477	42%	0.42	S	S	.	.	H	α-helix	trans	-56.2	-41	169.5	-72.4	179.3	-154.5	0	0	111.4	E288 R296	E288-E292 WeakPolarHBondContact O-CG 3.46Å; E288-E292 PolarHBondContact O-N 3.05Å; E292-R296 VanDerWaalsContact O-CB 3.24Å; E292-R296 WeakPolarHBondContact O-CB 3.45Å; E292-R296 PolarHBondContact O-N 3.11Å
293	Q	91.2	Very high	93	Very high	121 Å²	121	94.2 Å²	94.2	57%	0.565	42%	0.423	S	S	*	.	H	α-helix	trans	-66.1	-43.1	174.7	-171.7	175.5	12.1	0	0	112.2	E289 R290 E291 R296 I297	E289-Q293 WeakPolarHBondContact O-CB 3.46Å; E289-Q293 PolarHBondContact O-N 3.48Å; E289-Q293 VanDerWaalsContact O-N 3.13Å; R290-Q293 PolarHBondContact O-N 3.25Å; E291-Q293 VanDerWaalsContact C-N 3.25Å; E291-Q293 PolarHBondContact O-N 2.65Å; Q293-R296 PolarHBondContact O-N 3.46Å; Q293-I297 HydrophobicContact CG-CD1 4.02Å; Q293-I297 VanDerWaalsContact O-CG1 3.31Å; Q293-I297 WeakPolarHBondContact O-CG1 3.49Å; Q293-I297 PolarHBondContact O-N 3.18Å
294	R	93.2	Very high	93.1	Very high	156 Å²	156	89.4 Å²	89.4	59%	0.589	39%	0.393	S	S	*	.	H	α-helix	trans	-61.2	-48.7	176.2	-173.5	-168.2	-70.3	143.3	-3.3	111.6	R290 E291 R296 I297 K298	R290-R294 PolarHBondContact O-N 2.67Å; E291-R294 PolarHBondContact O-N 2.73Å; E291-R294 VanDerWaalsContact O-N 3.13Å; E291-R294 WeakPolarHBondContact OE1-CD 3.25Å; E291-R294 IonicContact OE1-CZ 3.43Å; E291-R294 IonicContact OE1-NE 2.69Å; E291-R294 IonicContact OE1-NH1 3.23Å; E291-R294 PolarHBondContact OE1-NH1 3Å; E291-R294 IonicContact OE2-CZ 3Å; E291-R294 IonicContact OE2-NH1 3.7Å; E291-R294 PolarHBondContact OE2-NH1 3.49Å; R294-R296 VanDerWaalsContact C-N 3.33Å; R294-R296 PolarHBondContact O-N 3.44Å; R294-I297 PolarHBondContact O-N 2.95Å; R294-K298 PolarHBondContact O-N 2.93Å
295	I	94	Very high	93.3	Very high	102 Å²	102	90 Å²	90	52%	0.523	40%	0.396	S	S	.	.	H	α-helix	trans	-62.9	-41.6	-179.4	-67.4	167.6	0	0	0	110.4	E291 K298 R299	E291-I295 HydrophobicContact CG-CD1 4.14Å; E291-I295 WeakPolarHBondContact O-CG1 3.32Å; E291-I295 PolarHBondContact O-N 3.32Å; I295-K298 PolarHBondContact O-N 2.87Å; I295-R299 PolarHBondContact O-N 2.87Å
296	R	93.2	Very high	93.4	Very high	176 Å²	176	92.9 Å²	92.9	66%	0.664	41%	0.41	S	S	*	.	H	α-helix	trans	-61.7	-44.5	176.6	-168.1	179.4	-54	170.1	7.7	112.3	E292 Q293 R294 A300	E292-R296 VanDerWaalsContact O-CB 3.24Å; E292-R296 WeakPolarHBondContact O-CB 3.45Å; E292-R296 PolarHBondContact O-N 3.11Å; Q293-R296 PolarHBondContact O-N 3.46Å; R294-R296 VanDerWaalsContact C-N 3.33Å; R294-R296 PolarHBondContact O-N 3.44Å; R296-A300 WeakPolarHBondContact O-CB 3.39Å; R296-A300 PolarHBondContact O-N 3.42Å
297	I	92.2	Very high	93.5	Very high	72 Å²	72	93.6 Å²	93.6	37%	0.369	41%	0.409	S	S	.	.	H	α-helix	trans	-63.9	-44.8	175.6	-67.8	165.6	0	0	0	110.6	Q293 R294 R299 A300 K301	Q293-I297 HydrophobicContact CG-CD1 4.02Å; Q293-I297 VanDerWaalsContact O-CG1 3.31Å; Q293-I297 WeakPolarHBondContact O-CG1 3.49Å; Q293-I297 PolarHBondContact O-N 3.18Å; R294-I297 PolarHBondContact O-N 2.95Å; I297-R299 PolarHBondContact O-N 3.1Å; I297-A300 PolarHBondContact O-N 2.82Å; I297-K301 WeakPolarHBondContact O-CG 3.37Å; I297-K301 PolarHBondContact O-N 3.48Å
298	K	94.8	Very high	93.6	Very high	131 Å²	131	87.8 Å²	87.8	57%	0.57	38%	0.384	S	S	*	.	H	α-helix	trans	-59.3	-48.6	178.3	-173.3	176.3	-173.5	-78.1	0	111.8	R294 I295 A300 K301 E302	R294-K298 PolarHBondContact O-N 2.93Å; I295-K298 PolarHBondContact O-N 2.87Å; K298-A300 PolarHBondContact O-N 2.82Å; K298-K301 PolarHBondContact O-N 3.39Å; K298-E302 WeakPolarHBondContact CG-OE1 3.44Å; K298-E302 IonicContact NZ-OE1 3.8Å; K298-E302 PolarHBondContact NZ-OE1 3.18Å; K298-E302 WeakPolarHBondContact O-CG 3.3Å; K298-E302 PolarHBondContact O-N 3.14Å; K298-E302 VanDerWaalsContact O-N 3.11Å
299	R	95.5	Very high	93.6	Very high	167 Å²	167	87.7 Å²	87.7	63%	0.63	38%	0.384	S	S	*	.	H	α-helix	trans	-60.3	-45.6	176.3	175.6	171.2	-76.2	179.8	-5.3	111.8	I295 I297 K301 E302 D303	I295-R299 PolarHBondContact O-N 2.87Å; I297-R299 PolarHBondContact O-N 3.1Å; R299-K301 VanDerWaalsContact C-N 3.29Å; R299-K301 PolarHBondContact O-N 3.12Å; R299-E302 PolarHBondContact O-N 3.49Å; R299-D303 WeakPolarHBondContact CG-OD2 3.35Å; R299-D303 WeakPolarHBondContact O-CB 3.21Å; R299-D303 VanDerWaalsContact O-CG 3.25Å; R299-D303 PolarHBondContact O-N 2.89Å
300	A	95.1	Very high	93.6	Very high	17 Å²	17	92.8 Å²	92.8	14%	0.14	41%	0.406	C	S	.	.	H	α-helix	trans	-58.7	-39.9	178.3	0	0	0	0	0	112.4	R296 I297 K298 L304 D335 V336	R296-A300 WeakPolarHBondContact O-CB 3.39Å; R296-A300 PolarHBondContact O-N 3.42Å; I297-A300 PolarHBondContact O-N 2.82Å; K298-A300 PolarHBondContact O-N 2.82Å; A300-L304 WeakPolarHBondContact O-CB 3.42Å; A300-L304 PolarHBondContact O-N 2.83Å; A300-D335 HydrophobicContact CB-CB 4.25Å; A300-V336 VanDerWaalsContact C-CG2 3.47Å; A300-V336 HydrophobicContact CB-CG2 3.86Å; A300-V336 VanDerWaalsContact O-CG2 3.23Å; A300-V336 WeakPolarHBondContact O-CG2 3.29Å
301	K	95.7	Very high	93.4	Very high	58 Å²	58	86.8 Å²	86.8	25%	0.252	39%	0.386	S	S	.	.	H	α-helix	trans	-61.4	-50.9	173.4	-69.5	-163	177.8	-144.7	0	112.4	I297 K298 R299 D303 L304 E305 D340 I344	I297-K301 WeakPolarHBondContact O-CG 3.37Å; I297-K301 PolarHBondContact O-N 3.48Å; K298-K301 PolarHBondContact O-N 3.39Å; R299-K301 VanDerWaalsContact C-N 3.29Å; R299-K301 PolarHBondContact O-N 3.12Å; K301-D303 VanDerWaalsContact C-N 3.33Å; K301-D303 PolarHBondContact O-N 2.84Å; K301-L304 PolarHBondContact O-N 2.92Å; K301-E305 PolarHBondContact O-N 3.1Å; K301-D340 HydrophobicContact CD-CB 4.49Å; K301-D340 WeakPolarHBondContact CE-OD1 3.34Å; K301-D340 WeakPolarHBondContact CE-OD2 3.49Å; K301-D340 IonicContact NZ-OD1 2.65Å; K301-D340 PolarHBondContact NZ-OD1 3.45Å; K301-D340 IonicContact NZ-OD2 3.91Å; K301-I344 HydrophobicContact CB-CD1 3.71Å; K301-I344 HydrophobicContact CD-CD1 4.18Å; K301-I344 HydrophobicContact CG-CD1 3.81Å
302	E	95.9	Very high	92.8	Very high	63 Å²	63	90.7 Å²	90.7	29%	0.294	41%	0.41	S	S	.	.	H	α-helix	trans	-62.9	-38	-179.5	-69	171.6	-162	0	0	112.7	K298 R299 E305 K306	K298-E302 WeakPolarHBondContact CG-OE1 3.44Å; K298-E302 IonicContact NZ-OE1 3.8Å; K298-E302 PolarHBondContact NZ-OE1 3.18Å; K298-E302 WeakPolarHBondContact O-CG 3.3Å; K298-E302 PolarHBondContact O-N 3.14Å; K298-E302 VanDerWaalsContact O-N 3.11Å; R299-E302 PolarHBondContact O-N 3.49Å; E302-E305 PolarHBondContact O-N 2.9Å; E302-K306 VanDerWaalsContact O-CD 3.31Å; E302-K306 WeakPolarHBondContact O-CD 3.44Å; E302-K306 VanDerWaalsContact O-CE 3.23Å; E302-K306 WeakPolarHBondContact O-CE 3.43Å; E302-K306 WeakPolarHBondContact O-CG 3.37Å; E302-K306 PolarHBondContact O-N 3.23Å; E302-K306 VanDerWaalsContact O-N 3.09Å; E302-K306 IonicContact OE2-NZ 2.79Å
303	D	95.4	Very high	92.4	Very high	61 Å²	61	93.4 Å²	93.4	33%	0.326	42%	0.42	S	S	.	.	H	α-helix	trans	-74	-34.3	-179.1	-65.5	-17.2	0	0	0	111.3	R299 K301 K306 Y307	R299-D303 WeakPolarHBondContact CG-OD2 3.35Å; R299-D303 WeakPolarHBondContact O-CB 3.21Å; R299-D303 VanDerWaalsContact O-CG 3.25Å; R299-D303 PolarHBondContact O-N 2.89Å; K301-D303 VanDerWaalsContact C-N 3.33Å; K301-D303 PolarHBondContact O-N 2.84Å; D303-K306 IonicContact OD1-NZ 3.99Å; D303-K306 PolarHBondContact OD1-NZ 2.98Å; D303-Y307 VanDerWaalsContact O-CB 3.31Å; D303-Y307 WeakPolarHBondContact O-CB 3.48Å; D303-Y307 PolarHBondContact O-N 3.43Å
304	L	94.5	Very high	92.2	Very high	1 Å²	1	88.3 Å²	88.3	1%	0.005	40%	0.396	C	S	.	.	H	α-helix	trans	-63	-46.8	168.7	174.5	58.2	0	0	0	112	A300 K301 K306 Y307 L308 W333 V336 R341 I344	A300-L304 WeakPolarHBondContact O-CB 3.42Å; A300-L304 PolarHBondContact O-N 2.83Å; K301-L304 PolarHBondContact O-N 2.92Å; L304-K306 PolarHBondContact O-N 3.36Å; L304-Y307 WeakPolarHBondContact O-CB 3.43Å; L304-Y307 PolarHBondContact O-N 2.91Å; L304-L308 HydrophobicContact CD1-CD1 3.83Å; L304-L308 HydrophobicContact CD1-CD2 4.22Å; L304-L308 HydrophobicContact CD1-CG 3.78Å; L304-L308 HydrophobicContact CG-CD1 3.99Å; L304-L308 HydrophobicContact CG-CG 4.35Å; L304-L308 WeakPolarHBondContact O-CG 3.46Å; L304-L308 PolarHBondContact O-N 3.16Å; L304-W333 HydrophobicContact CD1-CE3 3.79Å; L304-W333 HydrophobicContact CD1-CZ3 4.43Å; L304-V336 HydrophobicContact CB-CG2 3.97Å; L304-V336 HydrophobicContact CD2-CB 3.85Å; L304-V336 HydrophobicContact CD2-CG1 3.98Å; L304-V336 HydrophobicContact CD2-CG2 3.78Å; L304-R341 HydrophobicContact CD2-CB 4.48Å; L304-R341 HydrophobicContact CD2-CG 4.03Å; L304-I344 HydrophobicContact CD2-CD1 4.1Å; L304-I344 HydrophobicContact CG-CG2 4.34Å
305	E	94.9	Very high	91.9	Very high	92 Å²	92	85.1 Å²	85.1	43%	0.43	39%	0.388	S	S	.	.	H	α-helix	trans	-56.9	-50.2	178.3	-170.1	-166.3	153.7	0	0	111.4	K301 E302 Y307 L308 L309 I344 V348	K301-E305 PolarHBondContact O-N 3.1Å; E302-E305 PolarHBondContact O-N 2.9Å; E305-Y307 VanDerWaalsContact C-N 3.34Å; E305-Y307 PolarHBondContact O-N 3.26Å; E305-L308 PolarHBondContact O-N 2.65Å; E305-L309 HydrophobicContact CG-CD1 4.09Å; E305-L309 WeakPolarHBondContact O-CB 3.35Å; E305-L309 WeakPolarHBondContact O-CG 3.3Å; E305-L309 PolarHBondContact O-N 2.94Å; E305-I344 HydrophobicContact CB-CG2 3.94Å; E305-I344 HydrophobicContact CG-CG2 4.29Å; E305-V348 HydrophobicContact CG-CG2 3.8Å
306	K	94.4	Very high	91.7	Very high	110 Å²	110	82.1 Å²	82.1	48%	0.478	38%	0.376	S	S	.	.	H	α-helix	trans	-59.2	-42.1	175.5	-66	161.2	-151	157.7	0	112	E302 D303 L304 K310	E302-K306 VanDerWaalsContact O-CD 3.31Å; E302-K306 WeakPolarHBondContact O-CD 3.44Å; E302-K306 VanDerWaalsContact O-CE 3.23Å; E302-K306 WeakPolarHBondContact O-CE 3.43Å; E302-K306 WeakPolarHBondContact O-CG 3.37Å; E302-K306 PolarHBondContact O-N 3.23Å; E302-K306 VanDerWaalsContact O-N 3.09Å; E302-K306 IonicContact OE2-NZ 2.79Å; D303-K306 IonicContact OD1-NZ 3.99Å; D303-K306 PolarHBondContact OD1-NZ 2.98Å; L304-K306 PolarHBondContact O-N 3.36Å; K306-K310 VanDerWaalsContact O-CB 3.32Å; K306-K310 WeakPolarHBondContact O-CB 3.49Å; K306-K310 PolarHBondContact O-N 2.88Å; K306-K310 VanDerWaalsContact O-N 3.17Å
307	Y	94.1	Very high	91.6	Very high	76 Å²	76	79.4 Å²	79.4	30%	0.298	38%	0.379	S	S	.	.	H	α-helix	trans	-61.6	-50.2	178.2	-178.9	-80.1	0	0	0	111.2	D303 L304 E305 K310 C311 L327 T330 E332	D303-Y307 VanDerWaalsContact O-CB 3.31Å; D303-Y307 WeakPolarHBondContact O-CB 3.48Å; D303-Y307 PolarHBondContact O-N 3.43Å; L304-Y307 WeakPolarHBondContact O-CB 3.43Å; L304-Y307 PolarHBondContact O-N 2.91Å; E305-Y307 VanDerWaalsContact C-N 3.34Å; E305-Y307 PolarHBondContact O-N 3.26Å; Y307-K310 PolarHBondContact O-N 3.32Å; Y307-C311 HydrophobicContact CE1-CB 4.39Å; Y307-C311 WeakPolarHBondContact O-CB 3.34Å; Y307-C311 PolarHBondContact O-N 2.71Å; Y307-C311 VanDerWaalsContact O-N 3.1Å; Y307-L327 HydrophobicContact CE1-CD1 4.18Å; Y307-L327 HydrophobicContact CE1-CD2 3.88Å; Y307-T330 HydrophobicContact CD1-CG2 4.5Å; Y307-T330 HydrophobicContact CD2-CG2 4.46Å; Y307-T330 HydrophobicContact CE1-CG2 3.92Å; Y307-T330 HydrophobicContact CE2-CG2 3.84Å; Y307-E332 HydrophobicContact CD2-CB 4.31Å; Y307-E332 HydrophobicContact CD2-CG 3.98Å; Y307-E332 HydrophobicContact CG-CB 4.24Å; Y307-E332 HydrophobicContact CG-CG 4.32Å
308	L	93.3	Very high	91.6	Very high	1 Å²	1	77.1 Å²	77.1	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-63	-45.6	-179.7	-65.3	173	0	0	0	111.2	L304 E305 K310 C311 L314 V323 L327 W333 I344 V348	L304-L308 HydrophobicContact CD1-CD1 3.83Å; L304-L308 HydrophobicContact CD1-CD2 4.22Å; L304-L308 HydrophobicContact CD1-CG 3.78Å; L304-L308 HydrophobicContact CG-CD1 3.99Å; L304-L308 HydrophobicContact CG-CG 4.35Å; L304-L308 WeakPolarHBondContact O-CG 3.46Å; L304-L308 PolarHBondContact O-N 3.16Å; E305-L308 PolarHBondContact O-N 2.65Å; L308-K310 PolarHBondContact O-N 2.78Å; L308-C311 PolarHBondContact O-N 2.81Å; L308-C311 VanDerWaalsContact O-N 3.1Å; L308-L314 HydrophobicContact CB-CD1 4.09Å; L308-L314 HydrophobicContact CD2-CD1 3.58Å; L308-L314 HydrophobicContact CG-CD1 4.45Å; L308-V323 HydrophobicContact CD2-CG1 4.41Å; L308-L327 HydrophobicContact CD2-CD1 3.41Å; L308-L327 VanDerWaalsContact CD2-CD1 3.41Å; L308-W333 HydrophobicContact CD1-CZ3 4.28Å; L308-W333 HydrophobicContact CD2-CE3 4.24Å; L308-W333 HydrophobicContact CD2-CZ3 4.05Å; L308-I344 HydrophobicContact CD1-CG2 4.16Å; L308-V348 HydrophobicContact CB-CB 4.29Å; L308-V348 HydrophobicContact CB-CG1 3.65Å; L308-V348 HydrophobicContact CB-CG2 4.31Å; L308-V348 HydrophobicContact CD1-CG2 4.46Å
309	L	91.5	Very high	91.5	Very high	44 Å²	44	74.2 Å²	74.2	23%	0.23	36%	0.363	C	S	.	.	H	α-helix	trans	-60.1	-31.9	178.6	-77.1	166.8	0	0	0	113.4	E305 V348 E351 R355	E305-L309 HydrophobicContact CG-CD1 4.09Å; E305-L309 WeakPolarHBondContact O-CB 3.35Å; E305-L309 WeakPolarHBondContact O-CG 3.3Å; E305-L309 PolarHBondContact O-N 2.94Å; L309-V348 HydrophobicContact CD2-CG1 3.83Å; L309-V348 HydrophobicContact CD2-CG2 4.47Å; L309-V348 HydrophobicContact CG-CG1 3.86Å; L309-V348 HydrophobicContact CG-CG2 4.09Å; L309-E351 HydrophobicContact CD2-CB 4.11Å; L309-E351 HydrophobicContact CD2-CG 4.01Å; L309-R355 PolarHBondContact O-NH1 3.16Å; L309-R355 PolarHBondContact O-NH2 3.1Å
310	K	90.7	Very high	91.5	Very high	176 Å²	176	67.3 Å²	67.3	77%	0.765	34%	0.337	S	S	*	.	H	α-helix	trans	-88.4	-9.1	179	-171.8	174	178	-179.4	0	113.5	K306 Y307 L308 N312	K306-K310 VanDerWaalsContact O-CB 3.32Å; K306-K310 WeakPolarHBondContact O-CB 3.49Å; K306-K310 PolarHBondContact O-N 2.88Å; K306-K310 VanDerWaalsContact O-N 3.17Å; Y307-K310 PolarHBondContact O-N 3.32Å; L308-K310 PolarHBondContact O-N 2.78Å; K310-N312 PolarHBondContact O-N 2.9Å; K310-N312 VanDerWaalsContact O-N 3.16Å; K310-N312 PolarHBondContact O-OD1 2.95Å
311	C	87.7	Confident	91.4	Very high	23 Å²	23	76.2 Å²	76.2	16%	0.155	37%	0.367	C	S	.	.			trans	-85.2	93	-173.1	-166.4	0	0	0	0	111.9	Y307 L308 K313 L314	Y307-C311 HydrophobicContact CE1-CB 4.39Å; Y307-C311 WeakPolarHBondContact O-CB 3.34Å; Y307-C311 PolarHBondContact O-N 2.71Å; Y307-C311 VanDerWaalsContact O-N 3.1Å; L308-C311 PolarHBondContact O-N 2.81Å; L308-C311 VanDerWaalsContact O-N 3.1Å; C311-K313 PolarHBondContact O-N 3.44Å; C311-L314 HydrophobicContact CB-CD1 3.98Å; C311-L314 HydrophobicContact CB-CG 4.01Å; C311-L314 PolarHBondContact O-N 3.5Å
312	N	80.7	Confident	91.2	Very high	156 Å²	156	79.4 Å²	79.4	83%	0.834	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	1.4	177.9	-61.6	7.2	0	0	0	115.8	K310	K310-N312 PolarHBondContact O-N 2.9Å; K310-N312 VanDerWaalsContact O-N 3.16Å; K310-N312 PolarHBondContact O-OD1 2.95Å
313	K	82.1	Confident	91.1	Very high	158 Å²	158	76.4 Å²	76.4	69%	0.687	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-9.7	172.5	-64.3	-179	-179.3	175.5	0	112.9	C311 L326	C311-K313 PolarHBondContact O-N 3.44Å; K313-L326 HydrophobicContact CB-CD2 4.36Å
314	L	87	Confident	91	Very high	14 Å²	14	76 Å²	76	7%	0.073	36%	0.362	C	S	.	.			trans	-93.8	134.1	178.1	-55.8	-177.8	0	0	0	109.8	L308 C311 M318 V323 L326 M349	L308-L314 HydrophobicContact CB-CD1 4.09Å; L308-L314 HydrophobicContact CD2-CD1 3.58Å; L308-L314 HydrophobicContact CG-CD1 4.45Å; C311-L314 HydrophobicContact CB-CD1 3.98Å; C311-L314 HydrophobicContact CB-CG 4.01Å; C311-L314 PolarHBondContact O-N 3.5Å; L314-M318 HydrophobicContact CB-SD 4.48Å; L314-M318 HydrophobicContact CD2-SD 3.82Å; L314-V323 HydrophobicContact CD2-CB 4.42Å; L314-V323 HydrophobicContact CD2-CG1 3.89Å; L314-V323 HydrophobicContact CD2-CG2 3.71Å; L314-L326 HydrophobicContact CD2-CD2 4.16Å; L314-M349 HydrophobicContact CB-CE 4.25Å; L314-M349 HydrophobicContact CD1-CE 4.17Å
315	H	86.8	Confident	90.8	Very high	89 Å²	89	82 Å²	82	41%	0.412	39%	0.39	S	S	.	.			trans	-129.5	152.7	173.3	60.6	90.4	0	0	0	109.7	T317 M318 E356	H315-T317 PolarHBondContact CE1-OG1 2.67Å; H315-T317 VanDerWaalsContact CE1-OG1 3.3Å; H315-T317 PolarHBondContact ND1-OG1 3.3Å; H315-T317 PolarHBondContact O-N 3.48Å; H315-M318 VanDerWaalsContact CD2-CG 3.44Å; H315-M318 WeakPolarHBondContact CD2-CG 3.48Å; H315-M318 VanDerWaalsContact CE1-CG 3.47Å; H315-M318 WeakPolarHBondContact CE1-CG 3.48Å; H315-M318 VanDerWaalsContact NE2-CG 3.26Å; H315-M318 WeakPolarHBondContact NE2-CG 3.5Å; H315-M318 WeakPolarHBondContact O-CB 3.49Å; H315-M318 WeakPolarHBondContact O-CG 3.34Å; H315-M318 PolarHBondContact O-N 2.94Å; H315-E356 WeakPolarHBondContact CA-OE1 3.39Å; H315-E356 WeakPolarHBondContact CB-OE1 3.37Å
316	S	89.5	Confident	90.6	Very high	39 Å²	39	80.6 Å²	80.6	27%	0.273	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.6	-166.7	69.3	0	0	0	0	115.5	E356	S316-E356 WeakPolarHBondContact CB-OE2 2.87Å; S316-E356 PolarHBondContact N-OE1 3.36Å; S316-E356 PolarHBondContact OG-OE2 3.35Å
317	T	90.8	Very high	90.5	Very high	119 Å²	119	75.6 Å²	75.6	73%	0.73	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	4.7	176.2	55.1	0	0	0	0	114	H315	H315-T317 PolarHBondContact CE1-OG1 2.67Å; H315-T317 VanDerWaalsContact CE1-OG1 3.3Å; H315-T317 PolarHBondContact ND1-OG1 3.3Å; H315-T317 PolarHBondContact O-N 3.48Å
318	M	92.9	Very high	90.2	Very high	24 Å²	24	74.7 Å²	74.7	12%	0.118	37%	0.368	C	S	.	.			trans	-70.2	140.5	170.6	-67.8	-167.2	78.8	0	0	111.6	L314 H315 R322 V323 L326	L314-M318 HydrophobicContact CB-SD 4.48Å; L314-M318 HydrophobicContact CD2-SD 3.82Å; H315-M318 VanDerWaalsContact CD2-CG 3.44Å; H315-M318 WeakPolarHBondContact CD2-CG 3.48Å; H315-M318 VanDerWaalsContact CE1-CG 3.47Å; H315-M318 WeakPolarHBondContact CE1-CG 3.48Å; H315-M318 VanDerWaalsContact NE2-CG 3.26Å; H315-M318 WeakPolarHBondContact NE2-CG 3.5Å; H315-M318 WeakPolarHBondContact O-CB 3.49Å; H315-M318 WeakPolarHBondContact O-CG 3.34Å; H315-M318 PolarHBondContact O-N 2.94Å; M318-R322 HydrophobicContact CE-CB 4.24Å; M318-R322 HydrophobicContact CE-CG 3.59Å; M318-V323 HydrophobicContact CB-CG2 3.86Å; M318-V323 HydrophobicContact CE-CG2 3.73Å; M318-V323 HydrophobicContact SD-CG2 3.94Å; M318-L326 HydrophobicContact CE-CD2 4.24Å
319	S	93.8	Very high	90	Very high	70 Å²	70	81.8 Å²	81.8	49%	0.49	41%	0.406	S	S	.	.			trans	-88.6	150.3	171.4	67	0	0	0	0	111.7	R321 R322 V323	S319-R321 PolarHBondContact O-N 2.87Å; S319-R321 VanDerWaalsContact O-N 3.14Å; S319-R322 WeakPolarHBondContact O-CA 3.37Å; S319-R322 WeakPolarHBondContact O-CB 3.45Å; S319-R322 PolarHBondContact O-N 3.22Å; S319-V323 PolarHBondContact O-N 3.06Å; S319-V323 VanDerWaalsContact O-N 3.17Å
320	Y	93.9	Very high	90.1	Very high	22 Å²	22	80.8 Å²	80.8	9%	0.086	40%	0.402	C	S	.	.	H	α-helix	trans	-47	-45.5	175.2	-178.3	-83.4	0	0	0	112.3	R322 V323 D324 W333 D338 R341 R342 F345	Y320-R322 PolarHBondContact O-N 2.87Å; Y320-V323 PolarHBondContact O-N 3.43Å; Y320-V323 VanDerWaalsContact O-N 3.12Å; Y320-D324 HydrophobicContact CD1-CB 4.24Å; Y320-D324 HydrophobicContact CE1-CB 4Å; Y320-D324 VanDerWaalsContact O-CB 3.31Å; Y320-D324 WeakPolarHBondContact O-CB 3.28Å; Y320-D324 PolarHBondContact O-N 2.98Å; Y320-W333 HydrophobicContact CD2-CH2 4.24Å; Y320-W333 HydrophobicContact CE1-CZ2 4.35Å; Y320-W333 AromaticContact CE2-CH2 3.7Å; Y320-W333 HydrophobicContact CE2-CH2 3.7Å; Y320-W333 AromaticContact CE2-CZ2 3.9Å; Y320-W333 HydrophobicContact CE2-CZ2 3.9Å; Y320-W333 AromaticContact CZ-CZ2 3.76Å; Y320-D338 PolarHBondContact OH-O 3.38Å; Y320-D338 PolarHBondContact OH-OD1 3.35Å; Y320-R341 HydrophobicContact CE2-CB 4.04Å; Y320-R341 WeakPolarHBondContact OH-CB 3.22Å; Y320-R342 HydrophobicContact CD2-CG 3.92Å; Y320-R342 HydrophobicContact CE1-CG 4.34Å; Y320-R342 VanDerWaalsContact CE1-CZ 3.42Å; Y320-R342 VanDerWaalsContact CE1-NH2 3.32Å; Y320-R342 HydrophobicContact CE2-CB 4.22Å; Y320-R342 HydrophobicContact CE2-CG 3.47Å; Y320-R342 VanDerWaalsContact CE2-CG 3.47Å; Y320-F345 HydrophobicContact CD2-CB 3.93Å; Y320-F345 AromaticContact CD2-CD1 3.76Å; Y320-F345 HydrophobicContact CD2-CD1 3.76Å; Y320-F345 HydrophobicContact CD2-CD2 4.44Å; Y320-F345 HydrophobicContact CD2-CE1 4.42Å; Y320-F345 AromaticContact CD2-CG 3.76Å; Y320-F345 HydrophobicContact CD2-CG 3.76Å; Y320-F345 HydrophobicContact CE2-CB 4.27Å; Y320-F345 HydrophobicContact CG-CD1 4.38Å
321	R	93.2	Very high	90.1	Very high	205 Å²	205	78.7 Å²	78.7	77%	0.774	39%	0.393	S	S	*	.	H	α-helix	trans	-59.8	-31.7	179.1	-70	-173.6	179.5	-174.2	0.6	113.2	S319 Q325	S319-R321 PolarHBondContact O-N 2.87Å; S319-R321 VanDerWaalsContact O-N 3.14Å; R321-Q325 WeakPolarHBondContact O-CG 3.42Å; R321-Q325 PolarHBondContact O-N 3.41Å
322	R	92.6	Very high	90.3	Very high	124 Å²	124	81 Å²	81	47%	0.468	40%	0.401	S	S	.	.	H	α-helix	trans	-79.4	-31.2	178.3	-174.1	65.1	-164.3	121.6	7	111.9	M318 S319 Y320 L326	M318-R322 HydrophobicContact CE-CB 4.24Å; M318-R322 HydrophobicContact CE-CG 3.59Å; S319-R322 WeakPolarHBondContact O-CA 3.37Å; S319-R322 WeakPolarHBondContact O-CB 3.45Å; S319-R322 PolarHBondContact O-N 3.22Å; Y320-R322 PolarHBondContact O-N 2.87Å; R322-L326 WeakPolarHBondContact O-CB 3.47Å; R322-L326 PolarHBondContact O-N 3.31Å
323	V	92.9	Very high	90.9	Very high	0 Å²	0	73.6 Å²	73.6	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-79.2	-39.1	177.3	176.8	0	0	0	0	111.6	L308 L314 M318 S319 Y320 Q325 L326 L327 W333 F345	L308-V323 HydrophobicContact CD2-CG1 4.41Å; L314-V323 HydrophobicContact CD2-CB 4.42Å; L314-V323 HydrophobicContact CD2-CG1 3.89Å; L314-V323 HydrophobicContact CD2-CG2 3.71Å; M318-V323 HydrophobicContact CB-CG2 3.86Å; M318-V323 HydrophobicContact CE-CG2 3.73Å; M318-V323 HydrophobicContact SD-CG2 3.94Å; S319-V323 PolarHBondContact O-N 3.06Å; S319-V323 VanDerWaalsContact O-N 3.17Å; Y320-V323 PolarHBondContact O-N 3.43Å; Y320-V323 VanDerWaalsContact O-N 3.12Å; V323-Q325 VanDerWaalsContact C-N 3.27Å; V323-Q325 PolarHBondContact O-N 3.49Å; V323-L326 CarbonylContact O-C 3.55Å; V323-L326 WeakPolarHBondContact O-CA 3.46Å; V323-L326 WeakPolarHBondContact O-CB 3.32Å; V323-L326 PolarHBondContact O-N 3.04Å; V323-L327 HydrophobicContact CG1-CD1 3.64Å; V323-L327 HydrophobicContact CG1-CG 4.15Å; V323-L327 WeakPolarHBondContact O-CB 3.32Å; V323-L327 PolarHBondContact O-N 3.41Å; V323-W333 HydrophobicContact CG1-CH2 4.12Å; V323-W333 HydrophobicContact CG1-CZ3 4.04Å; V323-F345 HydrophobicContact CB-CD2 4.44Å; V323-F345 HydrophobicContact CB-CE2 3.89Å; V323-F345 HydrophobicContact CG1-CD2 4.3Å; V323-F345 HydrophobicContact CG1-CE2 4.13Å; V323-F345 HydrophobicContact CG2-CE2 3.72Å; V323-F345 HydrophobicContact CG2-CZ 4.33Å
324	D	92.9	Very high	91.4	Very high	53 Å²	53	69.4 Å²	69.4	28%	0.283	35%	0.349	S	S	.	.	H	α-helix	trans	-57.6	-39	170.3	-172	49.5	0	0	0	112	Y320 L326 S328 W333 R341	Y320-D324 HydrophobicContact CD1-CB 4.24Å; Y320-D324 HydrophobicContact CE1-CB 4Å; Y320-D324 VanDerWaalsContact O-CB 3.31Å; Y320-D324 WeakPolarHBondContact O-CB 3.28Å; Y320-D324 PolarHBondContact O-N 2.98Å; D324-L326 VanDerWaalsContact C-N 3.34Å; D324-S328 WeakPolarHBondContact O-CA 3.42Å; D324-S328 WeakPolarHBondContact O-CB 3.49Å; D324-S328 PolarHBondContact O-N 3.22Å; D324-W333 HydrophobicContact CB-CZ2 3.77Å; D324-W333 PolarHBondContact OD1-NE1 2.82Å; D324-R341 IonicContact OD1-NH1 3.42Å
325	Q	91.9	Very high	91.7	Very high	127 Å²	127	72.9 Å²	72.9	59%	0.593	37%	0.368	S	S	*	.	H	α-helix	trans	-71.5	-19.9	170.9	-75.3	172.1	-0.6	0	0	115.1	R321 V323	R321-Q325 WeakPolarHBondContact O-CG 3.42Å; R321-Q325 PolarHBondContact O-N 3.41Å; V323-Q325 VanDerWaalsContact C-N 3.27Å; V323-Q325 PolarHBondContact O-N 3.49Å
326	L	90.6	Very high	92.1	Very high	62 Å²	62	68.8 Å²	68.8	33%	0.325	35%	0.349	S	S	.	.	H	α-helix	trans	-92.5	-28.2	-179.1	-175.8	64.1	0	0	0	111.4	K313 L314 M318 R322 V323 D324	K313-L326 HydrophobicContact CB-CD2 4.36Å; L314-L326 HydrophobicContact CD2-CD2 4.16Å; M318-L326 HydrophobicContact CE-CD2 4.24Å; R322-L326 WeakPolarHBondContact O-CB 3.47Å; R322-L326 PolarHBondContact O-N 3.31Å; V323-L326 CarbonylContact O-C 3.55Å; V323-L326 WeakPolarHBondContact O-CA 3.46Å; V323-L326 WeakPolarHBondContact O-CB 3.32Å; V323-L326 PolarHBondContact O-N 3.04Å; D324-L326 VanDerWaalsContact C-N 3.34Å
327	L	91.8	Very high	92.2	Very high	5 Å²	5	70.1 Å²	70.1	3%	0.026	36%	0.357	C	S	.	.	H	α-helix	trans	-117	9	-173.1	-55.9	-177.1	0	0	0	113.2	Y307 L308 V323 D329 T330 W333	Y307-L327 HydrophobicContact CE1-CD1 4.18Å; Y307-L327 HydrophobicContact CE1-CD2 3.88Å; L308-L327 HydrophobicContact CD2-CD1 3.41Å; L308-L327 VanDerWaalsContact CD2-CD1 3.41Å; V323-L327 HydrophobicContact CG1-CD1 3.64Å; V323-L327 HydrophobicContact CG1-CG 4.15Å; V323-L327 WeakPolarHBondContact O-CB 3.32Å; V323-L327 PolarHBondContact O-N 3.41Å; L327-D329 PolarHBondContact O-N 2.72Å; L327-T330 VanDerWaalsContact O-CB 3.24Å; L327-T330 WeakPolarHBondContact O-CB 3.38Å; L327-T330 PolarHBondContact O-N 3.03Å; L327-W333 HydrophobicContact CB-CB 3.98Å; L327-W333 HydrophobicContact CB-CD2 3.92Å; L327-W333 HydrophobicContact CB-CE3 4.18Å; L327-W333 HydrophobicContact CB-CG 3.83Å; L327-W333 HydrophobicContact CD1-CD2 4.44Å; L327-W333 HydrophobicContact CD1-CE3 3.84Å; L327-W333 HydrophobicContact CD1-CZ3 4.3Å; L327-W333 VanDerWaalsContact O-CB 3.28Å; L327-W333 WeakPolarHBondContact O-CB 3.2Å
328	S	88.4	Confident	92.4	Very high	57 Å²	57	67.6 Å²	67.6	40%	0.399	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-35.8	178.8	53.8	0	0	0	0	113.8	D324 T334	D324-S328 WeakPolarHBondContact O-CA 3.42Å; D324-S328 WeakPolarHBondContact O-CB 3.49Å; D324-S328 PolarHBondContact O-N 3.22Å; S328-T334 VanDerWaalsContact O-CG2 3.23Å; S328-T334 WeakPolarHBondContact O-CG2 3.16Å
329	D	89.3	Confident	92.4	Very high	151 Å²	151	74.4 Å²	74.4	81%	0.807	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-0.4	-174	-54.7	8.4	0	0	0	111.7	L327	L327-D329 PolarHBondContact O-N 2.72Å
330	T	91.7	Very high	92.5	Very high	23 Å²	23	72.1 Å²	72.1	14%	0.141	35%	0.345	C	S	.	.			trans	-86.4	124.8	-177	-59.7	0	0	0	0	109.9	Y307 L327 E332 W333 T334	Y307-T330 HydrophobicContact CD1-CG2 4.5Å; Y307-T330 HydrophobicContact CD2-CG2 4.46Å; Y307-T330 HydrophobicContact CE1-CG2 3.92Å; Y307-T330 HydrophobicContact CE2-CG2 3.84Å; L327-T330 VanDerWaalsContact O-CB 3.24Å; L327-T330 WeakPolarHBondContact O-CB 3.38Å; L327-T330 PolarHBondContact O-N 3.03Å; T330-E332 VanDerWaalsContact C-N 3.3Å; T330-E332 HydrophobicContact CG2-CB 4.26Å; T330-E332 WeakPolarHBondContact CG2-OE2 3.1Å; T330-E332 PolarHBondContact O-N 2.69Å; T330-W333 WeakPolarHBondContact O-CB 3.25Å; T330-W333 PolarHBondContact O-N 2.78Å; T330-T334 PolarHBondContact O-N 2.75Å; T330-T334 PolarHBondContact O-OG1 3.39Å
331	K	91.6	Very high	92.5	Very high	131 Å²	131	72.9 Å²	72.9	57%	0.57	35%	0.348	S	S	*	.	H	α-helix	trans	-56.6	-45.8	-173.6	-178.4	179.1	176	-70.5	0	112.1	W333 T334 D335	K331-W333 VanDerWaalsContact C-N 3.26Å; K331-W333 PolarHBondContact O-N 3.09Å; K331-T334 WeakPolarHBondContact CA-OG1 3.17Å; K331-T334 PolarHBondContact O-N 2.82Å; K331-T334 PolarHBondContact O-OG1 3.05Å; K331-D335 IonicContact NZ-OD2 2.76Å; K331-D335 PolarHBondContact NZ-OD2 2.95Å; K331-D335 WeakPolarHBondContact O-CB 3.26Å; K331-D335 PolarHBondContact O-N 3.4Å
332	E	91.7	Very high	92.6	Very high	72 Å²	72	67.9 Å²	67.9	34%	0.336	33%	0.329	S	S	.	.	H	α-helix	trans	-59.4	-34.8	179.6	-62.3	75.4	-170.8	0	0	112	Y307 T330	Y307-E332 HydrophobicContact CD2-CB 4.31Å; Y307-E332 HydrophobicContact CD2-CG 3.98Å; Y307-E332 HydrophobicContact CG-CB 4.24Å; Y307-E332 HydrophobicContact CG-CG 4.32Å; T330-E332 VanDerWaalsContact C-N 3.3Å; T330-E332 HydrophobicContact CG2-CB 4.26Å; T330-E332 WeakPolarHBondContact CG2-OE2 3.1Å; T330-E332 PolarHBondContact O-N 2.69Å
333	W	93.8	Very high	92.7	Very high	1 Å²	1	65.8 Å²	65.8	0%	0.004	33%	0.325	C	S	.	.	H	α-helix	trans	-71.5	-49.2	171	-168.8	-104.3	0	0	0	110.3	L304 L308 Y320 V323 D324 L327 T330 K331 D335 V336 R341	L304-W333 HydrophobicContact CD1-CE3 3.79Å; L304-W333 HydrophobicContact CD1-CZ3 4.43Å; L308-W333 HydrophobicContact CD1-CZ3 4.28Å; L308-W333 HydrophobicContact CD2-CE3 4.24Å; L308-W333 HydrophobicContact CD2-CZ3 4.05Å; Y320-W333 HydrophobicContact CD2-CH2 4.24Å; Y320-W333 HydrophobicContact CE1-CZ2 4.35Å; Y320-W333 AromaticContact CE2-CH2 3.7Å; Y320-W333 HydrophobicContact CE2-CH2 3.7Å; Y320-W333 AromaticContact CE2-CZ2 3.9Å; Y320-W333 HydrophobicContact CE2-CZ2 3.9Å; Y320-W333 AromaticContact CZ-CZ2 3.76Å; V323-W333 HydrophobicContact CG1-CH2 4.12Å; V323-W333 HydrophobicContact CG1-CZ3 4.04Å; D324-W333 HydrophobicContact CB-CZ2 3.77Å; D324-W333 PolarHBondContact OD1-NE1 2.82Å; L327-W333 HydrophobicContact CB-CB 3.98Å; L327-W333 HydrophobicContact CB-CD2 3.92Å; L327-W333 HydrophobicContact CB-CE3 4.18Å; L327-W333 HydrophobicContact CB-CG 3.83Å; L327-W333 HydrophobicContact CD1-CD2 4.44Å; L327-W333 HydrophobicContact CD1-CE3 3.84Å; L327-W333 HydrophobicContact CD1-CZ3 4.3Å; L327-W333 VanDerWaalsContact O-CB 3.28Å; L327-W333 WeakPolarHBondContact O-CB 3.2Å; T330-W333 WeakPolarHBondContact O-CB 3.25Å; T330-W333 PolarHBondContact O-N 2.78Å; K331-W333 VanDerWaalsContact C-N 3.26Å; K331-W333 PolarHBondContact O-N 3.09Å; W333-D335 PolarHBondContact O-N 3.19Å; W333-V336 PolarHBondContact O-N 3.11Å; W333-R341 HydrophobicContact CH2-CB 4.31Å; W333-R341 HydrophobicContact CZ2-CB 4.43Å; W333-R341 PolarHBondContact O-NE 3.32Å; W333-R341 PolarHBondContact O-NH2 2.71Å
334	T	93.3	Very high	92.7	Very high	69 Å²	69	66.6 Å²	66.6	42%	0.423	33%	0.329	S	S	.	.	H	α-helix	trans	-65.6	-35.6	-175.3	58.3	0	0	0	0	114.9	S328 T330 K331 V336 R341	S328-T334 VanDerWaalsContact O-CG2 3.23Å; S328-T334 WeakPolarHBondContact O-CG2 3.16Å; T330-T334 PolarHBondContact O-N 2.75Å; T330-T334 PolarHBondContact O-OG1 3.39Å; K331-T334 WeakPolarHBondContact CA-OG1 3.17Å; K331-T334 PolarHBondContact O-N 2.82Å; K331-T334 PolarHBondContact O-OG1 3.05Å; T334-V336 PolarHBondContact O-N 3.19Å; T334-R341 PolarHBondContact O-NH2 3.29Å
335	D	92.9	Very high	92.8	Very high	87 Å²	87	64.4 Å²	64.4	47%	0.465	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.4	-177.2	-80.9	-15.1	0	0	0	113	A300 K331 W333	A300-D335 HydrophobicContact CB-CB 4.25Å; K331-D335 IonicContact NZ-OD2 2.76Å; K331-D335 PolarHBondContact NZ-OD2 2.95Å; K331-D335 WeakPolarHBondContact O-CB 3.26Å; K331-D335 PolarHBondContact O-N 3.4Å; W333-D335 PolarHBondContact O-N 3.19Å
336	V	93.8	Very high	92.9	Very high	3 Å²	3	62.8 Å²	62.8	2%	0.018	31%	0.312	C	S	.	.	S	Bend	trans	-100.3	138.3	179.8	-179.7	0	0	0	0	110.9	A300 L304 W333 T334 D340 R341 I344	A300-V336 VanDerWaalsContact C-CG2 3.47Å; A300-V336 HydrophobicContact CB-CG2 3.86Å; A300-V336 VanDerWaalsContact O-CG2 3.23Å; A300-V336 WeakPolarHBondContact O-CG2 3.29Å; L304-V336 HydrophobicContact CB-CG2 3.97Å; L304-V336 HydrophobicContact CD2-CB 3.85Å; L304-V336 HydrophobicContact CD2-CG1 3.98Å; L304-V336 HydrophobicContact CD2-CG2 3.78Å; W333-V336 PolarHBondContact O-N 3.11Å; T334-V336 PolarHBondContact O-N 3.19Å; V336-D340 HydrophobicContact CG1-CB 3.52Å; V336-R341 HydrophobicContact CB-CG 4.04Å; V336-R341 HydrophobicContact CG1-CG 3.88Å; V336-R341 VanDerWaalsContact O-CZ 3.29Å; V336-R341 PolarHBondContact O-NE 3.08Å; V336-R341 PolarHBondContact O-NH2 2.86Å; V336-I344 HydrophobicContact CG1-CD1 4.25Å
337	P	92.9	Very high	93.1	Very high	67 Å²	67	65 Å²	65	44%	0.435	33%	0.325	S	S	.	.			trans	-65.4	146.8	174	-22.3	33.9	0	0	0	113.8	R339 D340 R341	P337-R339 VanDerWaalsContact C-N 3.31Å; P337-R339 PolarHBondContact O-N 3.08Å; P337-R339 VanDerWaalsContact O-N 3.14Å; P337-D340 WeakPolarHBondContact CD-OD2 3.32Å; P337-D340 WeakPolarHBondContact O-CA 3.47Å; P337-D340 WeakPolarHBondContact O-CB 3.43Å; P337-D340 PolarHBondContact O-N 3.24Å; P337-R341 PolarHBondContact O-N 2.76Å
338	D	93.7	Very high	93.2	Very high	66 Å²	66	65 Å²	65	35%	0.353	33%	0.325	S	S	.	.	H	α-helix	trans	-53.4	-38.1	-176.2	178.4	78.7	0	0	0	114.9	Y320 D340 R341 R342	Y320-D338 PolarHBondContact OH-O 3.38Å; Y320-D338 PolarHBondContact OH-OD1 3.35Å; D338-D340 PolarHBondContact O-N 3.04Å; D338-R341 PolarHBondContact O-N 3.41Å; D338-R342 WeakPolarHBondContact O-CG 3.34Å; D338-R342 PolarHBondContact O-N 3.18Å; D338-R342 VanDerWaalsContact O-N 3.16Å; D338-R342 IonicContact OD1-CZ 2.71Å; D338-R342 IonicContact OD1-NE 2.71Å; D338-R342 IonicContact OD1-NH2 3.97Å; D338-R342 PolarHBondContact OD1-NH2 2.91Å; D338-R342 IonicContact OD2-CZ 3.28Å; D338-R342 VanDerWaalsContact OD2-CZ 3.23Å; D338-R342 IonicContact OD2-NE 3.29Å; D338-R342 PolarHBondContact OD2-NE 3.35Å; D338-R342 IonicContact OD2-NH2 3.06Å; D338-R342 PolarHBondContact OD2-NH2 3.28Å
339	R	93.8	Very high	93.4	Very high	167 Å²	167	63 Å²	63	63%	0.63	31%	0.309	S	S	*	.	H	α-helix	trans	-58.8	-49.3	173.3	179.9	-167.5	157.3	-143.3	-19.2	111	P337 R341 R342 E343	P337-R339 VanDerWaalsContact C-N 3.31Å; P337-R339 PolarHBondContact O-N 3.08Å; P337-R339 VanDerWaalsContact O-N 3.14Å; R339-R341 VanDerWaalsContact C-N 3.33Å; R339-R341 PolarHBondContact O-N 2.94Å; R339-R342 WeakPolarHBondContact O-CB 3.46Å; R339-R342 PolarHBondContact O-N 2.69Å; R339-E343 IonicContact CZ-OE1 2.79Å; R339-E343 IonicContact CZ-OE2 3.2Å; R339-E343 IonicContact NE-OE1 2.8Å; R339-E343 PolarHBondContact NE-OE1 2.99Å; R339-E343 IonicContact NH2-OE1 3.58Å; R339-E343 PolarHBondContact NH2-OE1 3.01Å; R339-E343 IonicContact NH2-OE2 2.69Å; R339-E343 PolarHBondContact NH2-OE2 3.4Å; R339-E343 PolarHBondContact O-N 2.89Å
340	D	95.1	Very high	93.6	Very high	22 Å²	22	61.5 Å²	61.5	12%	0.118	30%	0.298	C	S	.	.	H	α-helix	trans	-68.4	-34.7	-176.7	-66	-35	0	0	0	111.2	K301 V336 P337 D338 R342 E343 I344	K301-D340 HydrophobicContact CD-CB 4.49Å; K301-D340 WeakPolarHBondContact CE-OD1 3.34Å; K301-D340 WeakPolarHBondContact CE-OD2 3.49Å; K301-D340 IonicContact NZ-OD1 2.65Å; K301-D340 PolarHBondContact NZ-OD1 3.45Å; K301-D340 IonicContact NZ-OD2 3.91Å; V336-D340 HydrophobicContact CG1-CB 3.52Å; P337-D340 WeakPolarHBondContact CD-OD2 3.32Å; P337-D340 WeakPolarHBondContact O-CA 3.47Å; P337-D340 WeakPolarHBondContact O-CB 3.43Å; P337-D340 PolarHBondContact O-N 3.24Å; D338-D340 PolarHBondContact O-N 3.04Å; D340-R342 VanDerWaalsContact C-N 3.31Å; D340-R342 PolarHBondContact O-N 3.15Å; D340-E343 PolarHBondContact O-N 3.24Å; D340-I344 WeakPolarHBondContact O-CD1 3.48Å; D340-I344 VanDerWaalsContact O-CG1 3.27Å; D340-I344 WeakPolarHBondContact O-CG1 3.44Å; D340-I344 PolarHBondContact O-N 3.07Å
341	R	95.2	Very high	93.6	Very high	39 Å²	39	64.1 Å²	64.1	15%	0.147	31%	0.308	C	S	.	.	H	α-helix	trans	-59.8	-39.5	171.8	-64.3	-179.8	-157.6	170.1	1.5	112.2	L304 Y320 D324 W333 T334 V336 P337 D338 R339 F345	L304-R341 HydrophobicContact CD2-CB 4.48Å; L304-R341 HydrophobicContact CD2-CG 4.03Å; Y320-R341 HydrophobicContact CE2-CB 4.04Å; Y320-R341 WeakPolarHBondContact OH-CB 3.22Å; D324-R341 IonicContact OD1-NH1 3.42Å; W333-R341 HydrophobicContact CH2-CB 4.31Å; W333-R341 HydrophobicContact CZ2-CB 4.43Å; W333-R341 PolarHBondContact O-NE 3.32Å; W333-R341 PolarHBondContact O-NH2 2.71Å; T334-R341 PolarHBondContact O-NH2 3.29Å; V336-R341 HydrophobicContact CB-CG 4.04Å; V336-R341 HydrophobicContact CG1-CG 3.88Å; V336-R341 VanDerWaalsContact O-CZ 3.29Å; V336-R341 PolarHBondContact O-NE 3.08Å; V336-R341 PolarHBondContact O-NH2 2.86Å; P337-R341 PolarHBondContact O-N 2.76Å; D338-R341 PolarHBondContact O-N 3.41Å; R339-R341 VanDerWaalsContact C-N 3.33Å; R339-R341 PolarHBondContact O-N 2.94Å; R341-F345 WeakPolarHBondContact O-CB 3.34Å; R341-F345 PolarHBondContact O-N 3.06Å
342	R	94.1	Very high	93.6	Very high	99 Å²	99	58.2 Å²	58.2	37%	0.374	28%	0.283	S	S	.	.	H	α-helix	trans	-65.2	-48.6	179.1	-69.2	169.8	-166.4	-59.1	-14	111.3	Y320 D338 R339 D340 I344 F345 D346	Y320-R342 HydrophobicContact CD2-CG 3.92Å; Y320-R342 HydrophobicContact CE1-CG 4.34Å; Y320-R342 VanDerWaalsContact CE1-CZ 3.42Å; Y320-R342 VanDerWaalsContact CE1-NH2 3.32Å; Y320-R342 HydrophobicContact CE2-CB 4.22Å; Y320-R342 HydrophobicContact CE2-CG 3.47Å; Y320-R342 VanDerWaalsContact CE2-CG 3.47Å; D338-R342 WeakPolarHBondContact O-CG 3.34Å; D338-R342 PolarHBondContact O-N 3.18Å; D338-R342 VanDerWaalsContact O-N 3.16Å; D338-R342 IonicContact OD1-CZ 2.71Å; D338-R342 IonicContact OD1-NE 2.71Å; D338-R342 IonicContact OD1-NH2 3.97Å; D338-R342 PolarHBondContact OD1-NH2 2.91Å; D338-R342 IonicContact OD2-CZ 3.28Å; D338-R342 VanDerWaalsContact OD2-CZ 3.23Å; D338-R342 IonicContact OD2-NE 3.29Å; D338-R342 PolarHBondContact OD2-NE 3.35Å; D338-R342 IonicContact OD2-NH2 3.06Å; D338-R342 PolarHBondContact OD2-NH2 3.28Å; R339-R342 WeakPolarHBondContact O-CB 3.46Å; R339-R342 PolarHBondContact O-N 2.69Å; D340-R342 VanDerWaalsContact C-N 3.31Å; D340-R342 PolarHBondContact O-N 3.15Å; R342-I344 PolarHBondContact O-N 3.39Å; R342-F345 PolarHBondContact O-N 2.88Å; R342-D346 PolarHBondContact O-N 3.34Å
343	E	94.7	Very high	93.7	Very high	81 Å²	81	54.8 Å²	54.8	38%	0.379	27%	0.267	S	S	.	.	H	α-helix	trans	-57.1	-48.5	177.4	-67.8	171.2	-171.8	0	0	110.8	R339 D340 D347	R339-E343 IonicContact CZ-OE1 2.79Å; R339-E343 IonicContact CZ-OE2 3.2Å; R339-E343 IonicContact NE-OE1 2.8Å; R339-E343 PolarHBondContact NE-OE1 2.99Å; R339-E343 IonicContact NH2-OE1 3.58Å; R339-E343 PolarHBondContact NH2-OE1 3.01Å; R339-E343 IonicContact NH2-OE2 2.69Å; R339-E343 PolarHBondContact NH2-OE2 3.4Å; R339-E343 PolarHBondContact O-N 2.89Å; D340-E343 PolarHBondContact O-N 3.24Å; E343-D347 PolarHBondContact O-N 3.47Å
344	I	94.6	Very high	93.7	Very high	17 Å²	17	59.8 Å²	59.8	9%	0.087	29%	0.289	C	S	.	.	H	α-helix	trans	-67.4	-38.5	177.3	-62.8	160.7	0	0	0	112	K301 L304 E305 L308 V336 D340 R342 V348	K301-I344 HydrophobicContact CB-CD1 3.71Å; K301-I344 HydrophobicContact CD-CD1 4.18Å; K301-I344 HydrophobicContact CG-CD1 3.81Å; L304-I344 HydrophobicContact CD2-CD1 4.1Å; L304-I344 HydrophobicContact CG-CG2 4.34Å; E305-I344 HydrophobicContact CB-CG2 3.94Å; E305-I344 HydrophobicContact CG-CG2 4.29Å; L308-I344 HydrophobicContact CD1-CG2 4.16Å; V336-I344 HydrophobicContact CG1-CD1 4.25Å; D340-I344 WeakPolarHBondContact O-CD1 3.48Å; D340-I344 VanDerWaalsContact O-CG1 3.27Å; D340-I344 WeakPolarHBondContact O-CG1 3.44Å; D340-I344 PolarHBondContact O-N 3.07Å; R342-I344 PolarHBondContact O-N 3.39Å; I344-V348 HydrophobicContact CG2-CG2 4.15Å; I344-V348 WeakPolarHBondContact O-CB 3.4Å; I344-V348 VanDerWaalsContact O-CG2 3.31Å; I344-V348 WeakPolarHBondContact O-CG2 3.44Å; I344-V348 PolarHBondContact O-N 3.44Å
345	F	94.6	Very high	93.6	Very high	7 Å²	7	60.6 Å²	60.6	3%	0.031	28%	0.284	C	S	.	.	H	α-helix	trans	-64	-46	-179.1	172.3	-95.3	0	0	0	112	Y320 V323 R341 R342 D347 V348 M349	Y320-F345 HydrophobicContact CD2-CB 3.93Å; Y320-F345 AromaticContact CD2-CD1 3.76Å; Y320-F345 HydrophobicContact CD2-CD1 3.76Å; Y320-F345 HydrophobicContact CD2-CD2 4.44Å; Y320-F345 HydrophobicContact CD2-CE1 4.42Å; Y320-F345 AromaticContact CD2-CG 3.76Å; Y320-F345 HydrophobicContact CD2-CG 3.76Å; Y320-F345 HydrophobicContact CE2-CB 4.27Å; Y320-F345 HydrophobicContact CG-CD1 4.38Å; V323-F345 HydrophobicContact CB-CD2 4.44Å; V323-F345 HydrophobicContact CB-CE2 3.89Å; V323-F345 HydrophobicContact CG1-CD2 4.3Å; V323-F345 HydrophobicContact CG1-CE2 4.13Å; V323-F345 HydrophobicContact CG2-CE2 3.72Å; V323-F345 HydrophobicContact CG2-CZ 4.33Å; R341-F345 WeakPolarHBondContact O-CB 3.34Å; R341-F345 PolarHBondContact O-N 3.06Å; R342-F345 PolarHBondContact O-N 2.88Å; F345-D347 VanDerWaalsContact C-N 3.31Å; F345-D347 PolarHBondContact O-N 3.28Å; F345-V348 PolarHBondContact O-N 3.12Å; F345-M349 HydrophobicContact CD1-CG 4.17Å; F345-M349 HydrophobicContact CD2-CE 4.34Å; F345-M349 HydrophobicContact CD2-CG 3.98Å; F345-M349 HydrophobicContact CD2-SD 4.48Å; F345-M349 HydrophobicContact CE1-CG 3.68Å; F345-M349 HydrophobicContact CE2-CE 3.99Å; F345-M349 HydrophobicContact CE2-CG 3.45Å; F345-M349 VanDerWaalsContact CE2-CG 3.45Å; F345-M349 HydrophobicContact CE2-SD 3.67Å; F345-M349 HydrophobicContact CG-CG 4.31Å; F345-M349 HydrophobicContact CZ-CG 3.3Å; F345-M349 HydrophobicContact CZ-SD 3.85Å; F345-M349 WeakPolarHBondContact O-CB 3.27Å; F345-M349 WeakPolarHBondContact O-CG 2.96Å; F345-M349 PolarHBondContact O-N 3.2Å
346	D	93.6	Very high	93.6	Very high	92 Å²	92	59.4 Å²	59.4	49%	0.492	28%	0.276	S	S	.	.	H	α-helix	trans	-65.3	-36.1	-178.3	-69.7	-23.1	0	0	0	111.2	R342 Q350	R342-D346 PolarHBondContact O-N 3.34Å; D346-Q350 VanDerWaalsContact O-CG 3.31Å; D346-Q350 WeakPolarHBondContact O-CG 3.46Å; D346-Q350 PolarHBondContact O-N 3.42Å; D346-Q350 PolarHBondContact O-NE2 3.19Å
347	D	93.9	Very high	93.6	Very high	110 Å²	110	66.3 Å²	66.3	59%	0.588	30%	0.301	S	S	*	.	H	α-helix	trans	-69.5	-45.4	173.1	-74.5	-21.6	0	0	0	112.5	E343 F345 M349 Q350 E351	E343-D347 PolarHBondContact O-N 3.47Å; F345-D347 VanDerWaalsContact C-N 3.31Å; F345-D347 PolarHBondContact O-N 3.28Å; D347-M349 PolarHBondContact O-N 3.32Å; D347-Q350 WeakPolarHBondContact O-CB 3.39Å; D347-Q350 PolarHBondContact O-N 2.94Å; D347-Q350 PolarHBondContact OD1-NE2 3.25Å; D347-E351 PolarHBondContact O-N 2.9Å; D347-E351 VanDerWaalsContact O-N 3.17Å
348	V	93.8	Very high	93.6	Very high	3 Å²	3	66.8 Å²	66.8	2%	0.018	30%	0.298	C	S	.	.	H	α-helix	trans	-66.9	-36	179	175.1	0	0	0	0	112.1	E305 L308 L309 I344 F345 Q350 E351 V352	E305-V348 HydrophobicContact CG-CG2 3.8Å; L308-V348 HydrophobicContact CB-CB 4.29Å; L308-V348 HydrophobicContact CB-CG1 3.65Å; L308-V348 HydrophobicContact CB-CG2 4.31Å; L308-V348 HydrophobicContact CD1-CG2 4.46Å; L309-V348 HydrophobicContact CD2-CG1 3.83Å; L309-V348 HydrophobicContact CD2-CG2 4.47Å; L309-V348 HydrophobicContact CG-CG1 3.86Å; L309-V348 HydrophobicContact CG-CG2 4.09Å; I344-V348 HydrophobicContact CG2-CG2 4.15Å; I344-V348 WeakPolarHBondContact O-CB 3.4Å; I344-V348 VanDerWaalsContact O-CG2 3.31Å; I344-V348 WeakPolarHBondContact O-CG2 3.44Å; I344-V348 PolarHBondContact O-N 3.44Å; F345-V348 PolarHBondContact O-N 3.12Å; V348-Q350 VanDerWaalsContact C-N 3.32Å; V348-Q350 PolarHBondContact O-N 2.89Å; V348-E351 PolarHBondContact O-N 3.03Å; V348-V352 HydrophobicContact CG1-CG2 4.1Å; V348-V352 WeakPolarHBondContact O-CB 3.48Å; V348-V352 VanDerWaalsContact O-CG2 3.32Å; V348-V352 WeakPolarHBondContact O-CG2 3.35Å; V348-V352 PolarHBondContact O-N 3.07Å
349	M	93.3	Very high	93.6	Very high	16 Å²	16	68.8 Å²	68.8	8%	0.079	31%	0.305	C	S	.	.	H	α-helix	trans	-66.7	-32.7	175.1	-69.8	-55.5	94.6	0	0	112.6	L314 F345 D347 V352 G353	L314-M349 HydrophobicContact CB-CE 4.25Å; L314-M349 HydrophobicContact CD1-CE 4.17Å; F345-M349 HydrophobicContact CD1-CG 4.17Å; F345-M349 HydrophobicContact CD2-CE 4.34Å; F345-M349 HydrophobicContact CD2-CG 3.98Å; F345-M349 HydrophobicContact CD2-SD 4.48Å; F345-M349 HydrophobicContact CE1-CG 3.68Å; F345-M349 HydrophobicContact CE2-CE 3.99Å; F345-M349 HydrophobicContact CE2-CG 3.45Å; F345-M349 VanDerWaalsContact CE2-CG 3.45Å; F345-M349 HydrophobicContact CE2-SD 3.67Å; F345-M349 HydrophobicContact CG-CG 4.31Å; F345-M349 HydrophobicContact CZ-CG 3.3Å; F345-M349 HydrophobicContact CZ-SD 3.85Å; F345-M349 WeakPolarHBondContact O-CB 3.27Å; F345-M349 WeakPolarHBondContact O-CG 2.96Å; F345-M349 PolarHBondContact O-N 3.2Å; D347-M349 PolarHBondContact O-N 3.32Å; M349-V352 HydrophobicContact CE-CG2 4.32Å; M349-G353 PolarHBondContact O-N 3.31Å
350	Q	92.8	Very high	93.5	Very high	120 Å²	120	63.8 Å²	63.8	56%	0.561	30%	0.299	S	S	*	.	H	α-helix	trans	-63.8	-43.7	172.1	-73.9	169.5	87.4	0	0	111.6	D346 D347 V348 G353 K354	D346-Q350 VanDerWaalsContact O-CG 3.31Å; D346-Q350 WeakPolarHBondContact O-CG 3.46Å; D346-Q350 PolarHBondContact O-N 3.42Å; D346-Q350 PolarHBondContact O-NE2 3.19Å; D347-Q350 WeakPolarHBondContact O-CB 3.39Å; D347-Q350 PolarHBondContact O-N 2.94Å; D347-Q350 PolarHBondContact OD1-NE2 3.25Å; V348-Q350 VanDerWaalsContact C-N 3.32Å; V348-Q350 PolarHBondContact O-N 2.89Å; Q350-G353 PolarHBondContact O-N 2.94Å; Q350-K354 WeakPolarHBondContact O-CB 3.38Å; Q350-K354 PolarHBondContact O-N 3.4Å
351	E	92.4	Very high	93.5	Very high	77 Å²	77	67.6 Å²	67.6	36%	0.36	32%	0.315	S	S	.	.	H	α-helix	trans	-73.4	-36.8	180	-169.1	56.7	-143.8	0	0	112.6	L309 D347 V348 K354 R355	L309-E351 HydrophobicContact CD2-CB 4.11Å; L309-E351 HydrophobicContact CD2-CG 4.01Å; D347-E351 PolarHBondContact O-N 2.9Å; D347-E351 VanDerWaalsContact O-N 3.17Å; V348-E351 PolarHBondContact O-N 3.03Å; E351-K354 WeakPolarHBondContact O-CB 3.49Å; E351-K354 PolarHBondContact O-N 2.9Å; E351-K354 IonicContact OE1-NZ 3.12Å; E351-K354 PolarHBondContact OE1-NZ 3.24Å; E351-K354 WeakPolarHBondContact OE2-CD 3.49Å; E351-K354 IonicContact OE2-NZ 3.32Å; E351-K354 PolarHBondContact OE2-NZ 3.22Å; E351-R355 WeakPolarHBondContact O-CB 3.11Å; E351-R355 PolarHBondContact O-N 3.24Å
352	V	92.5	Very high	93.5	Very high	7 Å²	7	70.6 Å²	70.6	4%	0.042	33%	0.333	C	S	.	.	H	α-helix	trans	-60.8	-46.8	169.6	169	0	0	0	0	110.4	V348 M349 K354 R355 E356	V348-V352 HydrophobicContact CG1-CG2 4.1Å; V348-V352 WeakPolarHBondContact O-CB 3.48Å; V348-V352 VanDerWaalsContact O-CG2 3.32Å; V348-V352 WeakPolarHBondContact O-CG2 3.35Å; V348-V352 PolarHBondContact O-N 3.07Å; M349-V352 HydrophobicContact CE-CG2 4.32Å; V352-K354 VanDerWaalsContact C-N 3.27Å; V352-K354 PolarHBondContact O-N 3.08Å; V352-R355 WeakPolarHBondContact O-CB 3.4Å; V352-R355 PolarHBondContact O-N 3.01Å; V352-R355 VanDerWaalsContact O-N 3.15Å; V352-E356 HydrophobicContact CG1-CG 4.47Å; V352-E356 WeakPolarHBondContact CG1-OE1 3.41Å; V352-E356 WeakPolarHBondContact O-CG 3.25Å; V352-E356 PolarHBondContact O-N 3.33Å
353	G	93.1	Very high	93.5	Very high	0 Å²	0	69 Å²	69	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-66.2	-28	176.3	0	0	0	0	0	113.9	M349 Q350 R357	M349-G353 PolarHBondContact O-N 3.31Å; Q350-G353 PolarHBondContact O-N 2.94Å; G353-R357 VanDerWaalsContact C-CZ 3.41Å; G353-R357 VanDerWaalsContact O-CB 3.3Å; G353-R357 WeakPolarHBondContact O-CB 3.25Å; G353-R357 VanDerWaalsContact O-CG 3.31Å; G353-R357 WeakPolarHBondContact O-CG 3.28Å; G353-R357 PolarHBondContact O-N 3.3Å; G353-R357 PolarHBondContact O-NE 2.71Å; G353-R357 PolarHBondContact O-NH2 2.95Å
354	K	93.8	Very high	93.5	Very high	106 Å²	106	71.5 Å²	71.5	46%	0.461	34%	0.337	S	S	.	.	H	α-helix	trans	-70.2	-40.1	171.8	168.4	164	157.2	-93.7	0	111.4	Q350 E351 V352 E358	Q350-K354 WeakPolarHBondContact O-CB 3.38Å; Q350-K354 PolarHBondContact O-N 3.4Å; E351-K354 WeakPolarHBondContact O-CB 3.49Å; E351-K354 PolarHBondContact O-N 2.9Å; E351-K354 IonicContact OE1-NZ 3.12Å; E351-K354 PolarHBondContact OE1-NZ 3.24Å; E351-K354 WeakPolarHBondContact OE2-CD 3.49Å; E351-K354 IonicContact OE2-NZ 3.32Å; E351-K354 PolarHBondContact OE2-NZ 3.22Å; V352-K354 VanDerWaalsContact C-N 3.27Å; V352-K354 PolarHBondContact O-N 3.08Å; K354-E358 PolarHBondContact O-N 3.14Å; K354-E358 VanDerWaalsContact O-N 3.16Å
355	R	91.6	Very high	93.5	Very high	87 Å²	87	76.8 Å²	76.8	33%	0.328	36%	0.36	S	S	.	.	H	α-helix	trans	-62.9	-55.2	173.8	-168.6	-166.9	-52.6	163.8	2.2	111.9	L309 E351 V352 R357 E358 E359	L309-R355 PolarHBondContact O-NH1 3.16Å; L309-R355 PolarHBondContact O-NH2 3.1Å; E351-R355 WeakPolarHBondContact O-CB 3.11Å; E351-R355 PolarHBondContact O-N 3.24Å; V352-R355 WeakPolarHBondContact O-CB 3.4Å; V352-R355 PolarHBondContact O-N 3.01Å; V352-R355 VanDerWaalsContact O-N 3.15Å; R355-R357 PolarHBondContact O-N 3.23Å; R355-E358 PolarHBondContact O-N 2.82Å; R355-E359 WeakPolarHBondContact CD-OE1 3.29Å; R355-E359 HydrophobicContact CG-CG 4.47Å; R355-E359 WeakPolarHBondContact CG-OE1 3.37Å; R355-E359 WeakPolarHBondContact O-CG 3.45Å; R355-E359 PolarHBondContact O-N 2.87Å
356	E	92.3	Very high	93.6	Very high	62 Å²	62	81.1 Å²	81.1	29%	0.29	38%	0.376	S	S	.	.	H	α-helix	trans	-52.4	-43.3	176.3	-70.9	169.3	-177.2	0	0	111.7	H315 S316 V352 E358 A360	H315-E356 WeakPolarHBondContact CA-OE1 3.39Å; H315-E356 WeakPolarHBondContact CB-OE1 3.37Å; S316-E356 WeakPolarHBondContact CB-OE2 2.87Å; S316-E356 PolarHBondContact N-OE1 3.36Å; S316-E356 PolarHBondContact OG-OE2 3.35Å; V352-E356 HydrophobicContact CG1-CG 4.47Å; V352-E356 WeakPolarHBondContact CG1-OE1 3.41Å; V352-E356 WeakPolarHBondContact O-CG 3.25Å; V352-E356 PolarHBondContact O-N 3.33Å; E356-E358 VanDerWaalsContact C-N 3.33Å; E356-E358 PolarHBondContact O-N 3.23Å; E356-A360 WeakPolarHBondContact O-CB 3.42Å; E356-A360 PolarHBondContact O-N 2.86Å
357	R	93.1	Very high	93.7	Very high	147 Å²	147	77 Å²	77	56%	0.555	35%	0.354	S	S	*	.	H	α-helix	trans	-68.3	-25.1	177.6	-82.3	179.9	-98.6	112.4	-1.1	114.1	G353 R355 K361	G353-R357 VanDerWaalsContact C-CZ 3.41Å; G353-R357 VanDerWaalsContact O-CB 3.3Å; G353-R357 WeakPolarHBondContact O-CB 3.25Å; G353-R357 VanDerWaalsContact O-CG 3.31Å; G353-R357 WeakPolarHBondContact O-CG 3.28Å; G353-R357 PolarHBondContact O-N 3.3Å; G353-R357 PolarHBondContact O-NE 2.71Å; G353-R357 PolarHBondContact O-NH2 2.95Å; R355-R357 PolarHBondContact O-N 3.23Å; R357-K361 VanDerWaalsContact O-CE 3.3Å; R357-K361 WeakPolarHBondContact O-CE 3.18Å; R357-K361 WeakPolarHBondContact O-CG 3.43Å
358	E	94.2	Very high	93.8	Very high	77 Å²	77	73.7 Å²	73.7	36%	0.36	34%	0.337	S	S	.	.	H	α-helix	trans	-87.3	-39.2	174.4	-161.5	60.2	-136.8	0	0	111.5	K354 R355 E356 A360 K361 I362	K354-E358 PolarHBondContact O-N 3.14Å; K354-E358 VanDerWaalsContact O-N 3.16Å; R355-E358 PolarHBondContact O-N 2.82Å; E356-E358 VanDerWaalsContact C-N 3.33Å; E356-E358 PolarHBondContact O-N 3.23Å; E358-A360 VanDerWaalsContact C-N 3.3Å; E358-A360 PolarHBondContact O-N 3.24Å; E358-K361 WeakPolarHBondContact O-CB 3.29Å; E358-K361 PolarHBondContact O-N 2.88Å; E358-K361 WeakPolarHBondContact OE2-CE 3.44Å; E358-K361 IonicContact OE2-NZ 3.71Å; E358-K361 PolarHBondContact OE2-NZ 3.44Å; E358-I362 HydrophobicContact CG-CD1 4.19Å; E358-I362 VanDerWaalsContact O-CG1 3.32Å; E358-I362 WeakPolarHBondContact O-CG1 3.42Å; E358-I362 PolarHBondContact O-N 3.36Å
359	E	92.7	Very high	93.9	Very high	109 Å²	109	81.2 Å²	81.2	51%	0.509	37%	0.365	S	S	.	.	H	α-helix	trans	-55.8	-44.2	171.8	-71.7	169.7	175.6	0	0	111	R355 K361 I362 L363	R355-E359 WeakPolarHBondContact CD-OE1 3.29Å; R355-E359 HydrophobicContact CG-CG 4.47Å; R355-E359 WeakPolarHBondContact CG-OE1 3.37Å; R355-E359 WeakPolarHBondContact O-CG 3.45Å; R355-E359 PolarHBondContact O-N 2.87Å; E359-K361 PolarHBondContact O-N 3.21Å; E359-I362 PolarHBondContact O-N 3.16Å; E359-L363 WeakPolarHBondContact O-CB 3.23Å; E359-L363 PolarHBondContact O-N 3.08Å
360	A	92.5	Very high	93.9	Very high	61 Å²	61	82.2 Å²	82.2	50%	0.504	37%	0.372	S	S	.	.	H	α-helix	trans	-61.5	-38	174	0	0	0	0	0	113.5	E356 E358 R364	E356-A360 WeakPolarHBondContact O-CB 3.42Å; E356-A360 PolarHBondContact O-N 2.86Å; E358-A360 VanDerWaalsContact C-N 3.3Å; E358-A360 PolarHBondContact O-N 3.24Å; A360-R364 WeakPolarHBondContact O-CB 3.4Å; A360-R364 PolarHBondContact O-N 3.49Å
361	K	94.9	Very high	94.1	Very high	102 Å²	102	76.6 Å²	76.6	44%	0.443	35%	0.346	S	S	.	.	H	α-helix	trans	-69.1	-38.9	174.2	-69.1	173.6	-145.6	160.3	0	111.8	R357 E358 E359 L363 K365	R357-K361 VanDerWaalsContact O-CE 3.3Å; R357-K361 WeakPolarHBondContact O-CE 3.18Å; R357-K361 WeakPolarHBondContact O-CG 3.43Å; E358-K361 WeakPolarHBondContact O-CB 3.29Å; E358-K361 PolarHBondContact O-N 2.88Å; E358-K361 WeakPolarHBondContact OE2-CE 3.44Å; E358-K361 IonicContact OE2-NZ 3.71Å; E358-K361 PolarHBondContact OE2-NZ 3.44Å; E359-K361 PolarHBondContact O-N 3.21Å; K361-L363 VanDerWaalsContact C-N 3.35Å; K361-K365 WeakPolarHBondContact O-CB 3.18Å; K361-K365 WeakPolarHBondContact O-CD 3.33Å; K361-K365 WeakPolarHBondContact O-CG 3.41Å; K361-K365 PolarHBondContact O-N 2.83Å
362	I	95.6	Very high	94.2	Very high	103 Å²	103	74.7 Å²	74.7	53%	0.528	34%	0.338	S	S	.	.	H	α-helix	trans	-64.8	-43.1	177.6	-69	164.2	0	0	0	109.5	E358 E359 K365 R366	E358-I362 HydrophobicContact CG-CD1 4.19Å; E358-I362 VanDerWaalsContact O-CG1 3.32Å; E358-I362 WeakPolarHBondContact O-CG1 3.42Å; E358-I362 PolarHBondContact O-N 3.36Å; E359-I362 PolarHBondContact O-N 3.16Å; I362-K365 PolarHBondContact O-N 2.9Å; I362-R366 PolarHBondContact O-N 3.28Å
363	L	93.7	Very high	94.3	Very high	65 Å²	65	78.9 Å²	78.9	34%	0.34	36%	0.357	S	S	.	.	H	α-helix	trans	-63.6	-48.2	175.7	-169.2	59.6	0	0	0	111.7	E359 K361 K365 R366 N367 D405	E359-L363 WeakPolarHBondContact O-CB 3.23Å; E359-L363 PolarHBondContact O-N 3.08Å; K361-L363 VanDerWaalsContact C-N 3.35Å; L363-K365 VanDerWaalsContact C-N 3.32Å; L363-K365 PolarHBondContact O-N 3.31Å; L363-R366 WeakPolarHBondContact O-CB 3.33Å; L363-R366 PolarHBondContact O-N 3.2Å; L363-R366 VanDerWaalsContact O-N 3.15Å; L363-N367 WeakPolarHBondContact O-CB 3.45Å; L363-N367 PolarHBondContact O-N 3.25Å; L363-N367 PolarHBondContact O-OD1 3.21Å; L363-D405 HydrophobicContact CD1-CB 3.97Å
364	R	94.4	Very high	94.3	Very high	134 Å²	134	78.9 Å²	78.9	51%	0.506	36%	0.357	S	S	.	.	H	α-helix	trans	-55.3	-45.3	173.7	-173.3	177.2	175.5	179.8	-0.2	111.9	A360 N367 V368 D413	A360-R364 WeakPolarHBondContact O-CB 3.4Å; A360-R364 PolarHBondContact O-N 3.49Å; R364-N367 PolarHBondContact O-N 2.97Å; R364-V368 HydrophobicContact CG-CG2 4.49Å; R364-V368 WeakPolarHBondContact O-CB 3.25Å; R364-V368 WeakPolarHBondContact O-CG2 3.25Å; R364-V368 PolarHBondContact O-N 3.29Å; R364-D413 WeakPolarHBondContact CD-OD2 3.37Å; R364-D413 WeakPolarHBondContact CG-OD2 3.35Å; R364-D413 IonicContact CZ-OD1 2.7Å; R364-D413 IonicContact CZ-OD2 2.68Å; R364-D413 IonicContact NE-OD1 3.58Å; R364-D413 PolarHBondContact NE-OD1 2.77Å; R364-D413 IonicContact NE-OD2 2.74Å; R364-D413 PolarHBondContact NE-OD2 3.15Å; R364-D413 IonicContact NH2-OD1 2.68Å; R364-D413 PolarHBondContact NH2-OD1 2.92Å; R364-D413 IonicContact NH2-OD2 3.09Å
365	K	95.9	Very high	94.3	Very high	128 Å²	128	73.9 Å²	73.9	56%	0.557	34%	0.336	S	S	*	.	H	α-helix	trans	-65	-36.7	176.7	-74.1	168.2	-178.5	172.2	0	113.6	K361 I362 L363 R369	K361-K365 WeakPolarHBondContact O-CB 3.18Å; K361-K365 WeakPolarHBondContact O-CD 3.33Å; K361-K365 WeakPolarHBondContact O-CG 3.41Å; K361-K365 PolarHBondContact O-N 2.83Å; I362-K365 PolarHBondContact O-N 2.9Å; L363-K365 VanDerWaalsContact C-N 3.32Å; L363-K365 PolarHBondContact O-N 3.31Å; K365-R369 WeakPolarHBondContact O-CB 3.41Å; K365-R369 PolarHBondContact O-N 2.83Å
366	R	95.5	Very high	94.3	Very high	97 Å²	97	73.4 Å²	73.4	37%	0.366	35%	0.345	S	S	.	.	H	α-helix	trans	-60.9	-53.7	170.1	164.8	-172.2	156	-151.4	-5.3	109.3	I362 L363 V368 R369 V370 D403 D405	I362-R366 PolarHBondContact O-N 3.28Å; L363-R366 WeakPolarHBondContact O-CB 3.33Å; L363-R366 PolarHBondContact O-N 3.2Å; L363-R366 VanDerWaalsContact O-N 3.15Å; R366-V368 PolarHBondContact O-N 3.39Å; R366-R369 WeakPolarHBondContact O-CB 3.42Å; R366-R369 PolarHBondContact O-N 3.14Å; R366-R369 VanDerWaalsContact O-N 3.08Å; R366-V370 HydrophobicContact CG-CG2 4.21Å; R366-V370 WeakPolarHBondContact O-CG2 3.42Å; R366-V370 PolarHBondContact O-N 3.3Å; R366-D403 IonicContact CZ-OD2 3.97Å; R366-D403 IonicContact NE-OD2 3.93Å; R366-D403 IonicContact NH2-OD1 2.89Å; R366-D403 PolarHBondContact NH2-OD1 3.21Å; R366-D403 IonicContact NH2-OD2 2.83Å; R366-D403 PolarHBondContact NH2-OD2 3.39Å; R366-D405 IonicContact CZ-OD2 3.42Å; R366-D405 IonicContact NH1-OD2 2.7Å; R366-D405 PolarHBondContact NH1-OD2 3.11Å; R366-D405 IonicContact NH2-OD2 3.33Å; R366-D405 PolarHBondContact NH2-OD2 3.36Å
367	N	95.3	Very high	94.3	Very high	6 Å²	6	75.3 Å²	75.3	3%	0.032	36%	0.355	C	S	.	.	H	α-helix	trans	-65.1	-45.2	-170.4	-63.9	3.8	0	0	0	111	L363 R364 R369 V370 F371 D405 L406 L409	L363-N367 WeakPolarHBondContact O-CB 3.45Å; L363-N367 PolarHBondContact O-N 3.25Å; L363-N367 PolarHBondContact O-OD1 3.21Å; R364-N367 PolarHBondContact O-N 2.97Å; N367-R369 VanDerWaalsContact C-N 3.3Å; N367-R369 PolarHBondContact O-N 3.44Å; N367-V370 PolarHBondContact O-N 2.67Å; N367-F371 VanDerWaalsContact O-CB 3.25Å; N367-F371 WeakPolarHBondContact O-CB 3.27Å; N367-F371 PolarHBondContact O-N 2.7Å; N367-D405 VanDerWaalsContact ND2-C 3.32Å; N367-D405 PolarHBondContact ND2-O 2.83Å; N367-L406 HydrophobicContact CB-CD1 3.89Å; N367-L406 VanDerWaalsContact O-CD1 3.25Å; N367-L406 WeakPolarHBondContact O-CD1 3.49Å; N367-L409 HydrophobicContact CB-CB 4.41Å; N367-L409 HydrophobicContact CB-CD1 3.87Å
368	V	95.6	Very high	94.1	Very high	40 Å²	40	69.3 Å²	69.3	24%	0.242	33%	0.333	C	S	.	.	H	α-helix	trans	-54.5	-43.6	170.9	164.4	0	0	0	0	111.9	R364 R366 N372 L409 D413	R364-V368 HydrophobicContact CG-CG2 4.49Å; R364-V368 WeakPolarHBondContact O-CB 3.25Å; R364-V368 WeakPolarHBondContact O-CG2 3.25Å; R364-V368 PolarHBondContact O-N 3.29Å; R366-V368 PolarHBondContact O-N 3.39Å; V368-N372 PolarHBondContact O-N 3.4Å; V368-N372 VanDerWaalsContact O-N 3.16Å; V368-N372 PolarHBondContact O-ND2 3.29Å; V368-L409 HydrophobicContact CG2-CD1 3.93Å; V368-D413 HydrophobicContact CG2-CB 4.04Å
369	R	96	Very high	93.7	Very high	162 Å²	162	73.7 Å²	73.7	61%	0.611	36%	0.358	S	S	*	.	H	α-helix	trans	-67.1	-51.3	178.5	-169	-166.3	-60.7	164.8	1.1	112	K365 R366 N367 F371 N372 E373	K365-R369 WeakPolarHBondContact O-CB 3.41Å; K365-R369 PolarHBondContact O-N 2.83Å; R366-R369 WeakPolarHBondContact O-CB 3.42Å; R366-R369 PolarHBondContact O-N 3.14Å; R366-R369 VanDerWaalsContact O-N 3.08Å; N367-R369 VanDerWaalsContact C-N 3.3Å; N367-R369 PolarHBondContact O-N 3.44Å; R369-F371 PolarHBondContact O-N 3.42Å; R369-N372 PolarHBondContact O-N 3.06Å; R369-N372 VanDerWaalsContact O-N 3.12Å; R369-E373 WeakPolarHBondContact CD-OE1 3.48Å; R369-E373 HydrophobicContact CG-CG 4.4Å; R369-E373 VanDerWaalsContact CG-OE1 3.27Å; R369-E373 WeakPolarHBondContact CG-OE1 3.28Å; R369-E373 WeakPolarHBondContact O-CG 3.45Å; R369-E373 PolarHBondContact O-N 3.49Å
370	V	95.1	Very high	93.4	Very high	36 Å²	36	75.1 Å²	75.1	22%	0.218	37%	0.369	C	S	.	.	H	α-helix	trans	-63.7	-32.3	-178.5	178	0	0	0	0	111	R366 N367 E373 I374 L406	R366-V370 HydrophobicContact CG-CG2 4.21Å; R366-V370 WeakPolarHBondContact O-CG2 3.42Å; R366-V370 PolarHBondContact O-N 3.3Å; N367-V370 PolarHBondContact O-N 2.67Å; V370-E373 PolarHBondContact O-N 3.27Å; V370-I374 HydrophobicContact CG1-CD1 3.97Å; V370-I374 WeakPolarHBondContact O-CB 3.39Å; V370-I374 WeakPolarHBondContact O-CD1 3.36Å; V370-I374 VanDerWaalsContact O-CG1 3.25Å; V370-I374 WeakPolarHBondContact O-CG1 3.13Å; V370-I374 PolarHBondContact O-N 3.42Å; V370-L406 HydrophobicContact CB-CD2 4.5Å; V370-L406 HydrophobicContact CG1-CD2 3.84Å
371	F	95.5	Very high	93.2	Very high	2 Å²	2	72.8 Å²	72.8	1%	0.009	35%	0.348	C	S	.	.	H	α-helix	trans	-63.9	-46.8	172.4	-164.7	-101.8	0	0	0	111.9	N367 R369 I374 L375 W387 L394 F400 L406 L409 A414 C417	N367-F371 VanDerWaalsContact O-CB 3.25Å; N367-F371 WeakPolarHBondContact O-CB 3.27Å; N367-F371 PolarHBondContact O-N 2.7Å; R369-F371 PolarHBondContact O-N 3.42Å; F371-I374 PolarHBondContact O-N 3.4Å; F371-L375 HydrophobicContact CD1-CD1 3.97Å; F371-L375 HydrophobicContact CD1-CG 4.3Å; F371-L375 HydrophobicContact CE1-CD1 3.78Å; F371-L375 HydrophobicContact CE1-CD2 4.38Å; F371-L375 HydrophobicContact CE1-CG 4.17Å; F371-L375 WeakPolarHBondContact O-CG 3.41Å; F371-L375 PolarHBondContact O-N 3.05Å; F371-W387 AromaticContact CZ-CH2 3.98Å; F371-W387 HydrophobicContact CZ-CH2 3.98Å; F371-W387 HydrophobicContact CZ-CZ3 4.09Å; F371-L394 HydrophobicContact CE2-CD1 3.75Å; F371-L394 HydrophobicContact CE2-CD2 4.04Å; F371-L394 HydrophobicContact CZ-CD1 3.62Å; F371-L394 HydrophobicContact CZ-CD2 4.47Å; F371-F400 HydrophobicContact CD2-CD2 4.18Å; F371-F400 HydrophobicContact CD2-CE2 4.01Å; F371-F400 HydrophobicContact CE2-CD2 4.2Å; F371-F400 AromaticContact CE2-CE2 3.82Å; F371-F400 HydrophobicContact CE2-CE2 3.82Å; F371-L406 HydrophobicContact CB-CD1 4.11Å; F371-L406 HydrophobicContact CD2-CD1 4.45Å; F371-L409 HydrophobicContact CB-CD2 3.88Å; F371-L409 HydrophobicContact CD1-CD2 4.38Å; F371-L409 HydrophobicContact CD2-CD2 3.98Å; F371-L409 HydrophobicContact CG-CD2 3.83Å; F371-A414 HydrophobicContact CE1-CB 4.08Å; F371-A414 WeakPolarHBondContact CE1-O 3.29Å; F371-A414 HydrophobicContact CE2-CB 4.4Å; F371-A414 HydrophobicContact CZ-CB 3.92Å; F371-C417 HydrophobicContact CD1-CB 3.6Å; F371-C417 HydrophobicContact CE1-CB 4.01Å
372	N	94.8	Very high	93.1	Very high	37 Å²	37	71 Å²	71	20%	0.198	35%	0.346	C	S	.	.	H	α-helix	trans	-65.4	-37.6	174.8	-79.1	-70.9	0	0	0	113.1	V368 R369 I374 L375 S376 C417	V368-N372 PolarHBondContact O-N 3.4Å; V368-N372 VanDerWaalsContact O-N 3.16Å; V368-N372 PolarHBondContact O-ND2 3.29Å; R369-N372 PolarHBondContact O-N 3.06Å; R369-N372 VanDerWaalsContact O-N 3.12Å; N372-I374 VanDerWaalsContact C-N 3.32Å; N372-L375 PolarHBondContact O-N 3.41Å; N372-S376 WeakPolarHBondContact O-CB 3.45Å; N372-S376 PolarHBondContact O-N 2.93Å; N372-S376 PolarHBondContact O-OG 3.32Å; N372-C417 PolarHBondContact ND2-SG 2.86Å
373	E	94.6	Very high	92.9	Very high	95 Å²	95	68.8 Å²	68.8	44%	0.444	33%	0.331	S	S	.	.	H	α-helix	trans	-59.8	-43.2	171.8	-71.5	168	-169.9	0	0	110.6	R369 V370 S376 E377	R369-E373 WeakPolarHBondContact CD-OE1 3.48Å; R369-E373 HydrophobicContact CG-CG 4.4Å; R369-E373 VanDerWaalsContact CG-OE1 3.27Å; R369-E373 WeakPolarHBondContact CG-OE1 3.28Å; R369-E373 WeakPolarHBondContact O-CG 3.45Å; R369-E373 PolarHBondContact O-N 3.49Å; V370-E373 PolarHBondContact O-N 3.27Å; E373-S376 PolarHBondContact O-N 3.23Å; E373-E377 PolarHBondContact O-N 2.92Å
374	I	94	Very high	92.8	Very high	1 Å²	1	73.9 Å²	73.9	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-64.7	-48.7	176.4	-75.8	164.4	0	0	0	112	V370 F371 N372 S376 E377 M378 L394 R399 F400 L406	V370-I374 HydrophobicContact CG1-CD1 3.97Å; V370-I374 WeakPolarHBondContact O-CB 3.39Å; V370-I374 WeakPolarHBondContact O-CD1 3.36Å; V370-I374 VanDerWaalsContact O-CG1 3.25Å; V370-I374 WeakPolarHBondContact O-CG1 3.13Å; V370-I374 PolarHBondContact O-N 3.42Å; F371-I374 PolarHBondContact O-N 3.4Å; N372-I374 VanDerWaalsContact C-N 3.32Å; I374-S376 PolarHBondContact O-N 2.93Å; I374-E377 PolarHBondContact O-N 3.38Å; I374-E377 VanDerWaalsContact O-N 3.11Å; I374-M378 HydrophobicContact CG2-SD 3.67Å; I374-M378 VanDerWaalsContact O-CG 3.23Å; I374-M378 WeakPolarHBondContact O-CG 3.41Å; I374-M378 PolarHBondContact O-N 2.88Å; I374-L394 HydrophobicContact CG2-CD2 3.62Å; I374-R399 HydrophobicContact CD1-CB 3.65Å; I374-R399 HydrophobicContact CG1-CB 3.91Å; I374-F400 HydrophobicContact CD1-CB 4.29Å; I374-L406 HydrophobicContact CD1-CD2 3.6Å
375	L	93.9	Very high	92.8	Very high	1 Å²	1	68.3 Å²	68.3	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-56.7	-40.9	176.1	-66.5	178.3	0	0	0	111	F371 N372 E377 M378 L381 L394 C417 F418 H421	F371-L375 HydrophobicContact CD1-CD1 3.97Å; F371-L375 HydrophobicContact CD1-CG 4.3Å; F371-L375 HydrophobicContact CE1-CD1 3.78Å; F371-L375 HydrophobicContact CE1-CD2 4.38Å; F371-L375 HydrophobicContact CE1-CG 4.17Å; F371-L375 WeakPolarHBondContact O-CG 3.41Å; F371-L375 PolarHBondContact O-N 3.05Å; N372-L375 PolarHBondContact O-N 3.41Å; L375-E377 VanDerWaalsContact C-N 3.33Å; L375-E377 PolarHBondContact O-N 3.41Å; L375-M378 PolarHBondContact O-N 3.04Å; L375-L381 HydrophobicContact CB-CD1 4.41Å; L375-L381 HydrophobicContact CD2-CD1 3.73Å; L375-L394 HydrophobicContact CD2-CD1 4.46Å; L375-L394 HydrophobicContact CD2-CD2 4.37Å; L375-C417 HydrophobicContact CD1-CB 4.45Å; L375-F418 HydrophobicContact CD1-CB 4.47Å; L375-F418 HydrophobicContact CD2-CD2 4.42Å; L375-H421 HydrophobicContact CD1-CB 4Å; L375-H421 PolarHBondContact O-NE2 3.03Å
376	S	91.6	Very high	92.8	Very high	76 Å²	76	65.6 Å²	65.6	53%	0.531	32%	0.321	S	S	.	.	H	α-helix	trans	-71.5	-20.8	179	-52.6	0	0	0	0	114.5	N372 E373 I374	N372-S376 WeakPolarHBondContact O-CB 3.45Å; N372-S376 PolarHBondContact O-N 2.93Å; N372-S376 PolarHBondContact O-OG 3.32Å; E373-S376 PolarHBondContact O-N 3.23Å; I374-S376 PolarHBondContact O-N 2.93Å
377	E	91.5	Very high	92.8	Very high	103 Å²	103	63.9 Å²	63.9	48%	0.481	32%	0.315	S	S	.	.	H	α-helix	trans	-83.7	-12.5	172.1	-76.2	-172.9	172.1	0	0	113.1	E373 I374 L375 L379 R399	E373-E377 PolarHBondContact O-N 2.92Å; I374-E377 PolarHBondContact O-N 3.38Å; I374-E377 VanDerWaalsContact O-N 3.11Å; L375-E377 VanDerWaalsContact C-N 3.33Å; L375-E377 PolarHBondContact O-N 3.41Å; E377-L379 PolarHBondContact O-N 3.05Å; E377-L379 VanDerWaalsContact O-N 3.17Å; E377-R399 VanDerWaalsContact CD-NH2 3.27Å; E377-R399 IonicContact OE1-CZ 3.3Å; E377-R399 IonicContact OE1-NE 2.94Å; E377-R399 IonicContact OE1-NH2 2.75Å; E377-R399 PolarHBondContact OE1-NH2 3.42Å; E377-R399 IonicContact OE2-CZ 3.53Å; E377-R399 VanDerWaalsContact OE2-CZ 3.25Å; E377-R399 IonicContact OE2-NE 2.69Å; E377-R399 PolarHBondContact OE2-NE 3.04Å; E377-R399 IonicContact OE2-NH2 3.84Å; E377-R399 PolarHBondContact OE2-NH2 3.47Å
378	M	89.1	Confident	92.7	Very high	21 Å²	21	67.1 Å²	67.1	10%	0.103	34%	0.338	C	S	.	.			trans	-88.2	82.7	-172.4	-71.8	164.3	63.7	0	0	112.1	I374 L375 D380 L381 M393 L394	I374-M378 HydrophobicContact CG2-SD 3.67Å; I374-M378 VanDerWaalsContact O-CG 3.23Å; I374-M378 WeakPolarHBondContact O-CG 3.41Å; I374-M378 PolarHBondContact O-N 2.88Å; L375-M378 PolarHBondContact O-N 3.04Å; M378-D380 PolarHBondContact O-N 2.86Å; M378-L381 HydrophobicContact CB-CB 4.17Å; M378-L381 HydrophobicContact CB-CD1 4.5Å; M378-L381 HydrophobicContact CE-CD1 4.44Å; M378-L381 WeakPolarHBondContact O-CB 3.24Å; M378-L381 PolarHBondContact O-N 3.12Å; M378-M393 HydrophobicContact CE-CB 3.37Å; M378-M393 HydrophobicContact CE-CE 4.14Å; M378-L394 HydrophobicContact CE-CD2 4.38Å; M378-L394 HydrophobicContact CE-CG 4.23Å; M378-L394 HydrophobicContact SD-CD2 3.96Å; M378-L394 HydrophobicContact SD-CG 4.45Å
379	L	85.3	Confident	92.7	Very high	168 Å²	168	69.6 Å²	69.6	88%	0.88	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-26	-177.3	-61.1	177.3	0	0	0	116	E377 L381	E377-L379 PolarHBondContact O-N 3.05Å; E377-L379 VanDerWaalsContact O-N 3.17Å; L379-L381 VanDerWaalsContact C-N 3.28Å
380	D	86.3	Confident	92.6	Very high	139 Å²	139	61.9 Å²	61.9	74%	0.743	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-6.1	177.5	-63.2	-55.7	0	0	0	113.1	M378 T382 M393	M378-D380 PolarHBondContact O-N 2.86Å; D380-T382 PolarHBondContact O-N 3.25Å; D380-M393 HydrophobicContact CB-CE 3.67Å
381	L	89.7	Confident	92.5	Very high	12 Å²	12	64.4 Å²	64.4	6%	0.063	33%	0.327	C	S	.	.			trans	-83.2	114.4	-179.9	-156.6	169.4	0	0	0	109	L375 M378 L379 T385 M393 F418 I422 L425	L375-L381 HydrophobicContact CB-CD1 4.41Å; L375-L381 HydrophobicContact CD2-CD1 3.73Å; M378-L381 HydrophobicContact CB-CB 4.17Å; M378-L381 HydrophobicContact CB-CD1 4.5Å; M378-L381 HydrophobicContact CE-CD1 4.44Å; M378-L381 WeakPolarHBondContact O-CB 3.24Å; M378-L381 PolarHBondContact O-N 3.12Å; L379-L381 VanDerWaalsContact C-N 3.28Å; L381-T385 HydrophobicContact CG-CG2 4.34Å; L381-M393 HydrophobicContact CB-CE 4.16Å; L381-F418 HydrophobicContact CD1-CE2 4.49Å; L381-F418 HydrophobicContact CD2-CE2 4.4Å; L381-I422 HydrophobicContact CD2-CD1 3.63Å; L381-L425 HydrophobicContact CD2-CD1 3.77Å
382	T	91.4	Very high	92.3	Very high	65 Å²	65	70 Å²	70	40%	0.399	35%	0.353	S	S	.	.			trans	-109.4	162.9	-177.3	72.4	0	0	0	0	110.9	D380 R384 T385 I422	D380-T382 PolarHBondContact O-N 3.25Å; T382-R384 PolarHBondContact O-N 3.4Å; T382-R384 PolarHBondContact OG1-N 3.24Å; T382-T385 PolarHBondContact N-OG1 2.9Å; T382-T385 VanDerWaalsContact O-CB 3.32Å; T382-T385 WeakPolarHBondContact O-CB 3.33Å; T382-T385 PolarHBondContact O-N 2.65Å; T382-T385 PolarHBondContact O-OG1 2.89Å; T382-T385 PolarHBondContact OG1-N 2.73Å; T382-T385 PolarHBondContact OG1-OG1 3.06Å; T382-T385 VanDerWaalsContact OG1-OG1 3.14Å; T382-I422 VanDerWaalsContact O-CD1 3.27Å; T382-I422 WeakPolarHBondContact O-CD1 3.47Å
383	Y	90.9	Very high	92.1	Very high	56 Å²	56	70.4 Å²	70.4	22%	0.22	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-8.6	170.5	76.6	-91	0	0	0	115	E426 H429	Y383-E426 HydrophobicContact CD2-CG 4.21Å; Y383-E426 HydrophobicContact CG-CG 4.49Å; Y383-H429 HydrophobicContact CD1-CB 4.03Å; Y383-H429 AromaticContact CD1-CG 3.82Å; Y383-H429 AromaticContact CD1-ND1 3.98Å; Y383-H429 HydrophobicContact CE1-CB 4.29Å; Y383-H429 AromaticContact CE1-CD2 3.45Å; Y383-H429 VanDerWaalsContact CE1-CD2 3.45Å; Y383-H429 WeakPolarHBondContact CE1-CD2 3.42Å; Y383-H429 AromaticContact CE1-CE1 3.49Å; Y383-H429 VanDerWaalsContact CE1-CE1 3.49Å; Y383-H429 WeakPolarHBondContact CE1-CE1 3.4Å; Y383-H429 AromaticContact CE1-CG 3.6Å; Y383-H429 AromaticContact CE1-ND1 3.68Å; Y383-H429 AromaticContact CE1-NE2 3.39Å; Y383-H429 WeakPolarHBondContact CE1-NE2 3.48Å; Y383-H429 AromaticContact CE2-CE1 3.47Å; Y383-H429 VanDerWaalsContact CE2-CE1 3.47Å; Y383-H429 WeakPolarHBondContact CE2-CE1 3.45Å; Y383-H429 AromaticContact CE2-ND1 3.76Å; Y383-H429 AromaticContact CZ-CD2 3.85Å; Y383-H429 AromaticContact CZ-CE1 3.05Å; Y383-H429 AromaticContact CZ-CG 3.98Å; Y383-H429 AromaticContact CZ-ND1 3.57Å; Y383-H429 AromaticContact CZ-NE2 3.27Å; Y383-H429 VanDerWaalsContact CZ-NE2 3.27Å; Y383-H429 PolarHBondContact OH-CE1 2.76Å; Y383-H429 PolarHBondContact OH-NE2 2.95Å
384	R	93	Very high	92	Very high	172 Å²	172	66.1 Å²	66.1	65%	0.649	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-10	175.7	-60.9	-168.3	173.3	-76.2	-10.4	114.1	T382 T386	T382-R384 PolarHBondContact O-N 3.4Å; T382-R384 PolarHBondContact OG1-N 3.24Å; R384-T386 PolarHBondContact O-N 3.3Å
385	T	94.5	Very high	91.8	Very high	18 Å²	18	71.6 Å²	71.6	11%	0.11	36%	0.363	C	S	.	.			trans	-65	131.1	-174.7	-60.9	0	0	0	0	109.5	L381 T382 E389 A390 M393 F418	L381-T385 HydrophobicContact CG-CG2 4.34Å; T382-T385 PolarHBondContact N-OG1 2.9Å; T382-T385 VanDerWaalsContact O-CB 3.32Å; T382-T385 WeakPolarHBondContact O-CB 3.33Å; T382-T385 PolarHBondContact O-N 2.65Å; T382-T385 PolarHBondContact O-OG1 2.89Å; T382-T385 PolarHBondContact OG1-N 2.73Å; T382-T385 PolarHBondContact OG1-OG1 3.06Å; T382-T385 VanDerWaalsContact OG1-OG1 3.14Å; T385-E389 HydrophobicContact CG2-CB 3.88Å; T385-A390 HydrophobicContact CG2-CB 4.25Å; T385-M393 HydrophobicContact CG2-SD 4.16Å; T385-F418 WeakPolarHBondContact O-CZ 3.43Å
386	T	95	Very high	91.6	Very high	71 Å²	71	78.1 Å²	78.1	44%	0.436	40%	0.398	S	S	.	.			trans	-84.8	157.9	176.7	66.4	0	0	0	0	111.1	R384 S388 E389 A390	R384-T386 PolarHBondContact O-N 3.3Å; T386-S388 PolarHBondContact O-N 3.18Å; T386-E389 VanDerWaalsContact CB-OE2 3.3Å; T386-E389 WeakPolarHBondContact CB-OE2 3.45Å; T386-E389 WeakPolarHBondContact CG2-OE2 3.41Å; T386-E389 PolarHBondContact N-OE2 2.87Å; T386-E389 PolarHBondContact O-N 2.83Å; T386-E389 VanDerWaalsContact OG1-CD 3.26Å; T386-E389 WeakPolarHBondContact OG1-CG 3.49Å; T386-E389 PolarHBondContact OG1-N 2.9Å; T386-E389 PolarHBondContact OG1-OE2 3.39Å; T386-A390 PolarHBondContact O-N 3.28Å
387	W	95.3	Very high	91.5	Very high	60 Å²	60	75.9 Å²	75.9	23%	0.227	38%	0.38	C	S	.	.	H	α-helix	trans	-54.1	-39.1	175.8	175.7	-118.3	0	0	0	112.6	F371 E389 A390 Q391 L394 A414 L415 F418	F371-W387 AromaticContact CZ-CH2 3.98Å; F371-W387 HydrophobicContact CZ-CH2 3.98Å; F371-W387 HydrophobicContact CZ-CZ3 4.09Å; W387-E389 VanDerWaalsContact C-N 3.31Å; W387-E389 PolarHBondContact O-N 3.16Å; W387-A390 PolarHBondContact O-N 2.98Å; W387-Q391 HydrophobicContact CD2-CG 3.96Å; W387-Q391 HydrophobicContact CE3-CG 4.4Å; W387-Q391 HydrophobicContact CG-CG 4.44Å; W387-Q391 HydrophobicContact CH2-CG 4.27Å; W387-Q391 HydrophobicContact CZ2-CG 3.79Å; W387-Q391 VanDerWaalsContact NE1-CD 3.29Å; W387-Q391 WeakPolarHBondContact O-CB 3.45Å; W387-Q391 VanDerWaalsContact O-CG 3.29Å; W387-Q391 WeakPolarHBondContact O-CG 3.39Å; W387-Q391 PolarHBondContact O-N 3.46Å; W387-L394 HydrophobicContact CZ3-CD1 4.38Å; W387-A414 HydrophobicContact CH2-CB 3.88Å; W387-A414 HydrophobicContact CZ2-CB 4.43Å; W387-L415 HydrophobicContact CD2-CD2 3.69Å; W387-L415 HydrophobicContact CE3-CD2 4.38Å; W387-L415 HydrophobicContact CG-CD2 3.75Å; W387-L415 HydrophobicContact CZ2-CD2 4.22Å; W387-L415 HydrophobicContact CZ2-CG 4.43Å; W387-F418 HydrophobicContact CB-CD1 4.11Å; W387-F418 HydrophobicContact CB-CE1 3.81Å; W387-F418 HydrophobicContact CB-CZ 4.48Å; W387-F418 HydrophobicContact CD2-CD1 4.39Å; W387-F418 HydrophobicContact CE3-CB 3.76Å; W387-F418 AromaticContact CE3-CD1 3.67Å; W387-F418 HydrophobicContact CE3-CD1 3.67Å; W387-F418 AromaticContact CE3-CD2 3.96Å; W387-F418 HydrophobicContact CE3-CD2 3.96Å; W387-F418 HydrophobicContact CE3-CE1 4.24Å; W387-F418 AromaticContact CE3-CG 3.5Å; W387-F418 HydrophobicContact CE3-CG 3.5Å; W387-F418 VanDerWaalsContact CE3-CG 3.5Å; W387-F418 HydrophobicContact CZ3-CB 3.73Å; W387-F418 HydrophobicContact CZ3-CD1 4.49Å; W387-F418 HydrophobicContact CZ3-CD2 4.29Å; W387-F418 AromaticContact CZ3-CG 3.92Å; W387-F418 HydrophobicContact CZ3-CG 3.92Å
388	S	94	Very high	91.5	Very high	74 Å²	74	76.6 Å²	76.6	52%	0.517	39%	0.392	S	S	.	.	H	α-helix	trans	-64.7	-32.6	178	-55.3	0	0	0	0	113.4	T386 Q392	T386-S388 PolarHBondContact O-N 3.18Å; S388-Q392 PolarHBondContact O-NE2 2.79Å
389	E	94.4	Very high	91.6	Very high	93 Å²	93	81.8 Å²	81.8	44%	0.435	41%	0.41	S	S	.	.	H	α-helix	trans	-76.5	-47.4	175.3	-69.9	157.1	144	0	0	110	T385 T386 W387 Q391 Q392 M393	T385-E389 HydrophobicContact CG2-CB 3.88Å; T386-E389 VanDerWaalsContact CB-OE2 3.3Å; T386-E389 WeakPolarHBondContact CB-OE2 3.45Å; T386-E389 WeakPolarHBondContact CG2-OE2 3.41Å; T386-E389 PolarHBondContact N-OE2 2.87Å; T386-E389 PolarHBondContact O-N 2.83Å; T386-E389 VanDerWaalsContact OG1-CD 3.26Å; T386-E389 WeakPolarHBondContact OG1-CG 3.49Å; T386-E389 PolarHBondContact OG1-N 2.9Å; T386-E389 PolarHBondContact OG1-OE2 3.39Å; W387-E389 VanDerWaalsContact C-N 3.31Å; W387-E389 PolarHBondContact O-N 3.16Å; E389-Q391 VanDerWaalsContact C-N 3.26Å; E389-Q391 PolarHBondContact O-N 2.96Å; E389-Q392 WeakPolarHBondContact O-CB 3.24Å; E389-Q392 PolarHBondContact O-N 3.34Å; E389-M393 WeakPolarHBondContact O-CG 3.39Å; E389-M393 PolarHBondContact O-N 3.48Å; E389-M393 VanDerWaalsContact O-N 3.08Å
390	A	94.3	Very high	91.9	Very high	0 Å²	0	75.4 Å²	75.4	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-56.9	-37.5	174.5	0	0	0	0	0	112.6	T385 T386 W387 Q392 M393 L394 F418	T385-A390 HydrophobicContact CG2-CB 4.25Å; T386-A390 PolarHBondContact O-N 3.28Å; W387-A390 PolarHBondContact O-N 2.98Å; A390-Q392 VanDerWaalsContact C-N 3.33Å; A390-Q392 PolarHBondContact O-N 2.96Å; A390-M393 PolarHBondContact O-N 3.45Å; A390-L394 WeakPolarHBondContact O-CB 3.3Å; A390-L394 VanDerWaalsContact O-CG 3.24Å; A390-L394 WeakPolarHBondContact O-CG 3.45Å; A390-L394 PolarHBondContact O-N 2.95Å; A390-F418 HydrophobicContact CB-CD2 3.94Å; A390-F418 HydrophobicContact CB-CE2 3.34Å; A390-F418 HydrophobicContact CB-CZ 3.91Å
391	Q	92.8	Very high	92.2	Very high	88 Å²	88	71.9 Å²	71.9	41%	0.411	36%	0.359	S	S	.	.	H	α-helix	trans	-61.4	-36.2	173.6	-80.5	-171.3	-44	0	0	113.4	W387 E389 L395	W387-Q391 HydrophobicContact CD2-CG 3.96Å; W387-Q391 HydrophobicContact CE3-CG 4.4Å; W387-Q391 HydrophobicContact CG-CG 4.44Å; W387-Q391 HydrophobicContact CH2-CG 4.27Å; W387-Q391 HydrophobicContact CZ2-CG 3.79Å; W387-Q391 VanDerWaalsContact NE1-CD 3.29Å; W387-Q391 WeakPolarHBondContact O-CB 3.45Å; W387-Q391 VanDerWaalsContact O-CG 3.29Å; W387-Q391 WeakPolarHBondContact O-CG 3.39Å; W387-Q391 PolarHBondContact O-N 3.46Å; E389-Q391 VanDerWaalsContact C-N 3.26Å; E389-Q391 PolarHBondContact O-N 2.96Å; Q391-L395 VanDerWaalsContact O-CG 3.29Å; Q391-L395 WeakPolarHBondContact O-CG 3.45Å; Q391-L395 PolarHBondContact O-N 2.93Å; Q391-L395 VanDerWaalsContact O-N 3.14Å
392	Q	92.2	Very high	92.3	Very high	119 Å²	119	74.2 Å²	74.2	56%	0.556	39%	0.386	S	S	*	.	H	α-helix	trans	-69.6	-46.1	175	-71.9	162	88.7	0	0	110.1	S388 E389 A390 L394 L395 D396	S388-Q392 PolarHBondContact O-NE2 2.79Å; E389-Q392 WeakPolarHBondContact O-CB 3.24Å; E389-Q392 PolarHBondContact O-N 3.34Å; A390-Q392 VanDerWaalsContact C-N 3.33Å; A390-Q392 PolarHBondContact O-N 2.96Å; Q392-L394 VanDerWaalsContact C-N 3.27Å; Q392-L394 PolarHBondContact O-N 3.02Å; Q392-L395 WeakPolarHBondContact O-CB 3.35Å; Q392-L395 PolarHBondContact O-N 2.82Å; Q392-D396 PolarHBondContact O-N 2.64Å
393	M	90.9	Very high	92.4	Very high	47 Å²	47	72.6 Å²	72.6	23%	0.232	38%	0.375	C	S	.	.	H	α-helix	trans	-63.7	-31	178.2	-55.9	162	66.6	0	0	112.7	M378 D380 L381 T385 E389 A390 N397	M378-M393 HydrophobicContact CE-CB 3.37Å; M378-M393 HydrophobicContact CE-CE 4.14Å; D380-M393 HydrophobicContact CB-CE 3.67Å; L381-M393 HydrophobicContact CB-CE 4.16Å; T385-M393 HydrophobicContact CG2-SD 4.16Å; E389-M393 WeakPolarHBondContact O-CG 3.39Å; E389-M393 PolarHBondContact O-N 3.48Å; E389-M393 VanDerWaalsContact O-N 3.08Å; A390-M393 PolarHBondContact O-N 3.45Å; M393-N397 PolarHBondContact O-N 2.82Å
394	L	92.2	Very high	92.4	Very high	4 Å²	4	74.6 Å²	74.6	2%	0.021	39%	0.393	C	S	.	.	H	α-helix	trans	-71.6	-34.7	171.9	-76.6	165.4	0	0	0	112.6	F371 I374 L375 M378 W387 A390 Q392 D396 N397 F400	F371-L394 HydrophobicContact CE2-CD1 3.75Å; F371-L394 HydrophobicContact CE2-CD2 4.04Å; F371-L394 HydrophobicContact CZ-CD1 3.62Å; F371-L394 HydrophobicContact CZ-CD2 4.47Å; I374-L394 HydrophobicContact CG2-CD2 3.62Å; L375-L394 HydrophobicContact CD2-CD1 4.46Å; L375-L394 HydrophobicContact CD2-CD2 4.37Å; M378-L394 HydrophobicContact CE-CD2 4.38Å; M378-L394 HydrophobicContact CE-CG 4.23Å; M378-L394 HydrophobicContact SD-CD2 3.96Å; M378-L394 HydrophobicContact SD-CG 4.45Å; W387-L394 HydrophobicContact CZ3-CD1 4.38Å; A390-L394 WeakPolarHBondContact O-CB 3.3Å; A390-L394 VanDerWaalsContact O-CG 3.24Å; A390-L394 WeakPolarHBondContact O-CG 3.45Å; A390-L394 PolarHBondContact O-N 2.95Å; Q392-L394 VanDerWaalsContact C-N 3.27Å; Q392-L394 PolarHBondContact O-N 3.02Å; L394-D396 VanDerWaalsContact C-N 3.34Å; L394-N397 WeakPolarHBondContact O-CB 3.36Å; L394-N397 PolarHBondContact O-N 3.29Å; L394-F400 HydrophobicContact CB-CD1 4.17Å; L394-F400 HydrophobicContact CB-CG 4.44Å; L394-F400 HydrophobicContact CD2-CB 4.5Å; L394-F400 HydrophobicContact CD2-CD2 4.42Å; L394-F400 HydrophobicContact CD2-CG 4.36Å; L394-F400 WeakPolarHBondContact O-CD1 3.27Å
395	L	90	Very high	92.4	Very high	116 Å²	116	69.5 Å²	69.5	61%	0.607	38%	0.379	S	S	*	.	H	α-helix	trans	-70.1	-30.7	174	-73	167.3	0	0	0	112.3	Q391 Q392 N397 T401	Q391-L395 VanDerWaalsContact O-CG 3.29Å; Q391-L395 WeakPolarHBondContact O-CG 3.45Å; Q391-L395 PolarHBondContact O-N 2.93Å; Q391-L395 VanDerWaalsContact O-N 3.14Å; Q392-L395 WeakPolarHBondContact O-CB 3.35Å; Q392-L395 PolarHBondContact O-N 2.82Å; L395-N397 VanDerWaalsContact C-N 3.29Å; L395-T401 WeakPolarHBondContact O-CG2 3.32Å
396	D	90.1	Very high	92.2	Very high	139 Å²	139	68.7 Å²	68.7	74%	0.743	37%	0.374	S	S	*	.	H	α-helix	trans	-76.6	-16.4	171.3	-67.9	-34.2	0	0	0	112.7	Q392 L394 T398	Q392-D396 PolarHBondContact O-N 2.64Å; L394-D396 VanDerWaalsContact C-N 3.34Å; D396-T398 PolarHBondContact O-N 3.3Å
397	N	89.6	Confident	92	Very high	29 Å²	29	69.8 Å²	69.8	16%	0.155	37%	0.374	C	S	.	.			trans	-80.3	120.5	-178.6	-165.8	-48.3	0	0	0	112.2	M393 L394 L395 R399 F400 T401	M393-N397 PolarHBondContact O-N 2.82Å; L394-N397 WeakPolarHBondContact O-CB 3.36Å; L394-N397 PolarHBondContact O-N 3.29Å; L395-N397 VanDerWaalsContact C-N 3.29Å; N397-R399 VanDerWaalsContact C-N 3.33Å; N397-R399 PolarHBondContact O-N 3.03Å; N397-R399 WeakPolarHBondContact OD1-CB 3.46Å; N397-R399 PolarHBondContact OD1-N 3.08Å; N397-F400 HydrophobicContact CB-CB 4.4Å; N397-F400 PolarHBondContact O-N 2.99Å; N397-T401 PolarHBondContact O-N 2.87Å; N397-T401 PolarHBondContact O-OG1 2.93Å
398	T	91.1	Very high	91.8	Very high	118 Å²	118	73 Å²	73	72%	0.724	40%	0.395	S	S	*	.	H	α-helix	trans	-69.5	-23.8	-177.6	56.1	0	0	0	0	114.3	D396 T401 G402	D396-T398 PolarHBondContact O-N 3.3Å; T398-T401 WeakPolarHBondContact CA-OG1 3.38Å; T398-G402 PolarHBondContact O-N 3.44Å
399	R	91.1	Very high	91.7	Very high	129 Å²	129	70.6 Å²	70.6	49%	0.487	38%	0.377	S	S	.	.	H	α-helix	trans	-69.6	-43.1	173	-65.1	-179	178.3	-97.1	20.5	111.1	I374 E377 N397 D403	I374-R399 HydrophobicContact CD1-CB 3.65Å; I374-R399 HydrophobicContact CG1-CB 3.91Å; E377-R399 VanDerWaalsContact CD-NH2 3.27Å; E377-R399 IonicContact OE1-CZ 3.3Å; E377-R399 IonicContact OE1-NE 2.94Å; E377-R399 IonicContact OE1-NH2 2.75Å; E377-R399 PolarHBondContact OE1-NH2 3.42Å; E377-R399 IonicContact OE2-CZ 3.53Å; E377-R399 VanDerWaalsContact OE2-CZ 3.25Å; E377-R399 IonicContact OE2-NE 2.69Å; E377-R399 PolarHBondContact OE2-NE 3.04Å; E377-R399 IonicContact OE2-NH2 3.84Å; E377-R399 PolarHBondContact OE2-NH2 3.47Å; N397-R399 VanDerWaalsContact C-N 3.33Å; N397-R399 PolarHBondContact O-N 3.03Å; N397-R399 WeakPolarHBondContact OD1-CB 3.46Å; N397-R399 PolarHBondContact OD1-N 3.08Å; R399-D403 PolarHBondContact O-N 3.23Å
400	F	92.1	Very high	91.6	Very high	35 Å²	35	69.8 Å²	69.8	15%	0.154	38%	0.375	C	S	.	.	H	α-helix	trans	-71	-48.3	-179.3	-176.6	-102.9	0	0	0	111.5	F371 I374 L394 N397 G402 D403 L406 Q407	F371-F400 HydrophobicContact CD2-CD2 4.18Å; F371-F400 HydrophobicContact CD2-CE2 4.01Å; F371-F400 HydrophobicContact CE2-CD2 4.2Å; F371-F400 AromaticContact CE2-CE2 3.82Å; F371-F400 HydrophobicContact CE2-CE2 3.82Å; I374-F400 HydrophobicContact CD1-CB 4.29Å; L394-F400 HydrophobicContact CB-CD1 4.17Å; L394-F400 HydrophobicContact CB-CG 4.44Å; L394-F400 HydrophobicContact CD2-CB 4.5Å; L394-F400 HydrophobicContact CD2-CD2 4.42Å; L394-F400 HydrophobicContact CD2-CG 4.36Å; L394-F400 WeakPolarHBondContact O-CD1 3.27Å; N397-F400 HydrophobicContact CB-CB 4.4Å; N397-F400 PolarHBondContact O-N 2.99Å; F400-G402 VanDerWaalsContact C-N 3.3Å; F400-G402 PolarHBondContact O-N 2.88Å; F400-D403 PolarHBondContact O-N 2.92Å; F400-L406 HydrophobicContact CD2-CD2 3.91Å; F400-L406 HydrophobicContact CD2-CG 3.91Å; F400-L406 HydrophobicContact CE2-CG 4.14Å; F400-Q407 HydrophobicContact CE1-CG 4.25Å; F400-Q407 HydrophobicContact CZ-CG 4.3Å; F400-Q407 PolarHBondContact O-NE2 3.49Å
401	T	91.8	Very high	91.5	Very high	64 Å²	64	77.9 Å²	77.9	39%	0.393	41%	0.41	S	S	.	.	H	α-helix	trans	-71.5	-20.8	178.9	50.7	0	0	0	0	114.3	L395 N397 T398 Q407	L395-T401 WeakPolarHBondContact O-CG2 3.32Å; N397-T401 PolarHBondContact O-N 2.87Å; N397-T401 PolarHBondContact O-OG1 2.93Å; T398-T401 WeakPolarHBondContact CA-OG1 3.38Å; T401-Q407 VanDerWaalsContact C-NE2 3.26Å; T401-Q407 PolarHBondContact O-NE2 3.2Å
402	G	91.8	Very high	91.6	Very high	61 Å²	61	80.4 Å²	80.4	63%	0.629	42%	0.422	S	S	*	.	H	α-helix	trans	-81.1	-23	175	0	0	0	0	0	115.3	T398 F400	T398-G402 PolarHBondContact O-N 3.44Å; F400-G402 VanDerWaalsContact C-N 3.3Å; F400-G402 PolarHBondContact O-N 2.88Å
403	D	92.7	Very high	91.8	Very high	32 Å²	32	75.7 Å²	75.7	17%	0.171	40%	0.401	C	S	.	.			trans	-103.4	105.7	-174.9	-170.3	-17.3	0	0	0	111.6	R366 R399 F400 D405 L406 Q407	R366-D403 IonicContact CZ-OD2 3.97Å; R366-D403 IonicContact NE-OD2 3.93Å; R366-D403 IonicContact NH2-OD1 2.89Å; R366-D403 PolarHBondContact NH2-OD1 3.21Å; R366-D403 IonicContact NH2-OD2 2.83Å; R366-D403 PolarHBondContact NH2-OD2 3.39Å; R399-D403 PolarHBondContact O-N 3.23Å; F400-D403 PolarHBondContact O-N 2.92Å; D403-D405 VanDerWaalsContact C-N 3.34Å; D403-D405 WeakPolarHBondContact OD1-CB 3.49Å; D403-D405 PolarHBondContact OD1-N 3.47Å; D403-L406 HydrophobicContact CB-CB 3.72Å; D403-L406 HydrophobicContact CB-CD2 4.3Å; D403-L406 PolarHBondContact O-N 3.22Å; D403-L406 PolarHBondContact OD1-N 3.09Å; D403-Q407 PolarHBondContact O-N 3.38Å; D403-Q407 VanDerWaalsContact O-N 3.08Å; D403-Q407 PolarHBondContact O-NE2 3.42Å
404	V	92.1	Very high	92	Very high	98 Å²	98	74 Å²	74	59%	0.594	39%	0.394	S	S	*	.	H	α-helix	trans	-69	-31.1	-179.1	-179.4	0	0	0	0	111.8	L406 N408	V404-L406 VanDerWaalsContact C-N 3.33Å; V404-N408 PolarHBondContact O-N 3.47Å; V404-N408 PolarHBondContact O-ND2 3.31Å
405	D	91.5	Very high	92.2	Very high	65 Å²	65	77.5 Å²	77.5	35%	0.348	41%	0.412	S	S	.	.	H	α-helix	trans	-67.6	-41.6	175.9	-62.2	-45.4	0	0	0	109.8	L363 R366 N367 D403 N408 L409	L363-D405 HydrophobicContact CD1-CB 3.97Å; R366-D405 IonicContact CZ-OD2 3.42Å; R366-D405 IonicContact NH1-OD2 2.7Å; R366-D405 PolarHBondContact NH1-OD2 3.11Å; R366-D405 IonicContact NH2-OD2 3.33Å; R366-D405 PolarHBondContact NH2-OD2 3.36Å; N367-D405 VanDerWaalsContact ND2-C 3.32Å; N367-D405 PolarHBondContact ND2-O 2.83Å; D403-D405 VanDerWaalsContact C-N 3.34Å; D403-D405 WeakPolarHBondContact OD1-CB 3.49Å; D403-D405 PolarHBondContact OD1-N 3.47Å; D405-N408 CarbonylContact O-C 3.59Å; D405-N408 WeakPolarHBondContact O-CA 3.23Å; D405-N408 WeakPolarHBondContact O-CB 3.47Å; D405-N408 PolarHBondContact O-N 3.34Å; D405-L409 PolarHBondContact O-N 2.71Å
406	L	91.9	Very high	92.4	Very high	1 Å²	1	75.3 Å²	75.3	1%	0.005	40%	0.404	C	S	.	.	H	α-helix	trans	-67.8	-34.6	-179.4	-173.2	60.5	0	0	0	113	N367 V370 F371 I374 F400 D403 V404 N408 L409	N367-L406 HydrophobicContact CB-CD1 3.89Å; N367-L406 VanDerWaalsContact O-CD1 3.25Å; N367-L406 WeakPolarHBondContact O-CD1 3.49Å; V370-L406 HydrophobicContact CB-CD2 4.5Å; V370-L406 HydrophobicContact CG1-CD2 3.84Å; F371-L406 HydrophobicContact CB-CD1 4.11Å; F371-L406 HydrophobicContact CD2-CD1 4.45Å; I374-L406 HydrophobicContact CD1-CD2 3.6Å; F400-L406 HydrophobicContact CD2-CD2 3.91Å; F400-L406 HydrophobicContact CD2-CG 3.91Å; F400-L406 HydrophobicContact CE2-CG 4.14Å; D403-L406 HydrophobicContact CB-CB 3.72Å; D403-L406 HydrophobicContact CB-CD2 4.3Å; D403-L406 PolarHBondContact O-N 3.22Å; D403-L406 PolarHBondContact OD1-N 3.09Å; V404-L406 VanDerWaalsContact C-N 3.33Å; L406-N408 PolarHBondContact O-N 3.11Å; L406-L409 HydrophobicContact CD1-CD2 4.39Å; L406-L409 WeakPolarHBondContact O-CB 3.45Å; L406-L409 PolarHBondContact O-N 2.98Å
407	Q	90.6	Very high	92.7	Very high	94 Å²	94	68.9 Å²	68.9	44%	0.439	37%	0.369	S	S	.	.	H	α-helix	trans	-67	-18.5	170.7	-76.1	165.1	63.8	0	0	113.4	F400 T401 D403	F400-Q407 HydrophobicContact CE1-CG 4.25Å; F400-Q407 HydrophobicContact CZ-CG 4.3Å; F400-Q407 PolarHBondContact O-NE2 3.49Å; T401-Q407 VanDerWaalsContact C-NE2 3.26Å; T401-Q407 PolarHBondContact O-NE2 3.2Å; D403-Q407 PolarHBondContact O-N 3.38Å; D403-Q407 VanDerWaalsContact O-N 3.08Å; D403-Q407 PolarHBondContact O-NE2 3.42Å
408	N	90.7	Very high	93	Very high	128 Å²	128	68.3 Å²	68.3	68%	0.684	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	14.1	170.9	-69.1	-70.9	0	0	0	112.8	V404 D405 L406	V404-N408 PolarHBondContact O-N 3.47Å; V404-N408 PolarHBondContact O-ND2 3.31Å; D405-N408 CarbonylContact O-C 3.59Å; D405-N408 WeakPolarHBondContact O-CA 3.23Å; D405-N408 WeakPolarHBondContact O-CB 3.47Å; D405-N408 PolarHBondContact O-N 3.34Å; L406-N408 PolarHBondContact O-N 3.11Å
409	L	91.4	Very high	93.2	Very high	23 Å²	23	69 Å²	69	12%	0.12	36%	0.361	C	S	.	.	S	Bend	trans	-59.3	145.3	166.8	-179.3	61.1	0	0	0	110.3	N367 V368 F371 D405 L406 D413 A414	N367-L409 HydrophobicContact CB-CB 4.41Å; N367-L409 HydrophobicContact CB-CD1 3.87Å; V368-L409 HydrophobicContact CG2-CD1 3.93Å; F371-L409 HydrophobicContact CB-CD2 3.88Å; F371-L409 HydrophobicContact CD1-CD2 4.38Å; F371-L409 HydrophobicContact CD2-CD2 3.98Å; F371-L409 HydrophobicContact CG-CD2 3.83Å; D405-L409 PolarHBondContact O-N 2.71Å; L406-L409 HydrophobicContact CD1-CD2 4.39Å; L406-L409 WeakPolarHBondContact O-CB 3.45Å; L406-L409 PolarHBondContact O-N 2.98Å; L409-D413 HydrophobicContact CD1-CB 3.67Å; L409-D413 HydrophobicContact CG-CB 4.07Å; L409-A414 HydrophobicContact CD2-CB 4.1Å; L409-A414 HydrophobicContact CG-CB 4.48Å
410	D	93	Very high	93.4	Very high	76 Å²	76	68.9 Å²	68.9	41%	0.406	37%	0.366	S	S	.	.			trans	-63.9	141.6	177.4	-153.1	-38.1	0	0	0	110.7	E412 D413 A414	D410-E412 PolarHBondContact O-N 2.99Å; D410-E412 PolarHBondContact OD1-N 3.06Å; D410-D413 HydrophobicContact CB-CB 4.14Å; D410-D413 PolarHBondContact O-N 3.3Å; D410-A414 WeakPolarHBondContact O-CB 3.34Å; D410-A414 PolarHBondContact O-N 2.95Å
411	K	92.7	Very high	93.6	Very high	169 Å²	169	67.9 Å²	67.9	74%	0.735	36%	0.361	S	S	*	.	H	α-helix	trans	-65.7	-31.3	178.5	-64.7	-179.3	-178	178.6	0	111.1	L415	K411-L415 WeakPolarHBondContact O-CB 3.47Å; K411-L415 VanDerWaalsContact O-CG 3.29Å; K411-L415 WeakPolarHBondContact O-CG 3.24Å; K411-L415 PolarHBondContact O-N 2.73Å; K411-L415 VanDerWaalsContact O-N 3.08Å
412	E	94.9	Very high	93.7	Very high	141 Å²	141	65.9 Å²	65.9	66%	0.659	35%	0.348	S	S	*	.	H	α-helix	trans	-70.6	-41	175.8	-73.6	145.5	-141.6	0	0	111.1	D410 V416	D410-E412 PolarHBondContact O-N 2.99Å; D410-E412 PolarHBondContact OD1-N 3.06Å; E412-V416 WeakPolarHBondContact O-CG2 3.35Å; E412-V416 PolarHBondContact O-N 3.37Å; E412-V416 VanDerWaalsContact O-N 3.08Å
413	D	95.5	Very high	93.9	Very high	21 Å²	21	65.9 Å²	65.9	11%	0.112	34%	0.338	C	S	.	.	H	α-helix	trans	-62.8	-46.6	172.1	-79.4	-21.6	0	0	0	111.9	R364 V368 L409 D410 L415 V416 C417	R364-D413 WeakPolarHBondContact CD-OD2 3.37Å; R364-D413 WeakPolarHBondContact CG-OD2 3.35Å; R364-D413 IonicContact CZ-OD1 2.7Å; R364-D413 IonicContact CZ-OD2 2.68Å; R364-D413 IonicContact NE-OD1 3.58Å; R364-D413 PolarHBondContact NE-OD1 2.77Å; R364-D413 IonicContact NE-OD2 2.74Å; R364-D413 PolarHBondContact NE-OD2 3.15Å; R364-D413 IonicContact NH2-OD1 2.68Å; R364-D413 PolarHBondContact NH2-OD1 2.92Å; R364-D413 IonicContact NH2-OD2 3.09Å; V368-D413 HydrophobicContact CG2-CB 4.04Å; L409-D413 HydrophobicContact CD1-CB 3.67Å; L409-D413 HydrophobicContact CG-CB 4.07Å; D410-D413 HydrophobicContact CB-CB 4.14Å; D410-D413 PolarHBondContact O-N 3.3Å; D413-L415 VanDerWaalsContact C-N 3.3Å; D413-L415 PolarHBondContact O-N 2.79Å; D413-V416 PolarHBondContact O-N 2.8Å; D413-C417 PolarHBondContact O-N 3.29Å; D413-C417 PolarHBondContact O-SG 2.68Å
414	A	95	Very high	94	Very high	10 Å²	10	69 Å²	69	8%	0.083	35%	0.352	C	S	.	.	H	α-helix	trans	-64.3	-35.5	-177.3	0	0	0	0	0	112.3	F371 W387 L409 D410 F418	F371-A414 HydrophobicContact CE1-CB 4.08Å; F371-A414 WeakPolarHBondContact CE1-O 3.29Å; F371-A414 HydrophobicContact CE2-CB 4.4Å; F371-A414 HydrophobicContact CZ-CB 3.92Å; W387-A414 HydrophobicContact CH2-CB 3.88Å; W387-A414 HydrophobicContact CZ2-CB 4.43Å; L409-A414 HydrophobicContact CD2-CB 4.1Å; L409-A414 HydrophobicContact CG-CB 4.48Å; D410-A414 WeakPolarHBondContact O-CB 3.34Å; D410-A414 PolarHBondContact O-N 2.95Å; A414-F418 WeakPolarHBondContact O-CB 3.44Å; A414-F418 PolarHBondContact O-N 3.12Å
415	L	95.6	Very high	94.1	Very high	78 Å²	78	65.7 Å²	65.7	41%	0.408	33%	0.331	S	S	.	.	H	α-helix	trans	-68.1	-43.6	172.3	-77.6	168.7	0	0	0	112.4	W387 K411 D413 F418 E419	W387-L415 HydrophobicContact CD2-CD2 3.69Å; W387-L415 HydrophobicContact CE3-CD2 4.38Å; W387-L415 HydrophobicContact CG-CD2 3.75Å; W387-L415 HydrophobicContact CZ2-CD2 4.22Å; W387-L415 HydrophobicContact CZ2-CG 4.43Å; K411-L415 WeakPolarHBondContact O-CB 3.47Å; K411-L415 VanDerWaalsContact O-CG 3.29Å; K411-L415 WeakPolarHBondContact O-CG 3.24Å; K411-L415 PolarHBondContact O-N 2.73Å; K411-L415 VanDerWaalsContact O-N 3.08Å; D413-L415 VanDerWaalsContact C-N 3.3Å; D413-L415 PolarHBondContact O-N 2.79Å; L415-F418 PolarHBondContact O-N 2.81Å; L415-E419 PolarHBondContact O-N 3.18Å
416	V	95.8	Very high	94.2	Very high	70 Å²	70	67 Å²	67	42%	0.424	34%	0.336	S	S	.	.	H	α-helix	trans	-62.9	-45.6	177.8	168.9	0	0	0	0	111.3	E412 D413 F418 E419 E420	E412-V416 WeakPolarHBondContact O-CG2 3.35Å; E412-V416 PolarHBondContact O-N 3.37Å; E412-V416 VanDerWaalsContact O-N 3.08Å; D413-V416 PolarHBondContact O-N 2.8Å; V416-F418 PolarHBondContact O-N 2.93Å; V416-E419 PolarHBondContact O-N 3.2Å; V416-E420 HydrophobicContact CG1-CG 4.38Å; V416-E420 WeakPolarHBondContact O-CB 3.4Å; V416-E420 WeakPolarHBondContact O-CG 3.4Å; V416-E420 PolarHBondContact O-N 2.92Å
417	C	95.4	Very high	94.4	Very high	4 Å²	4	72.6 Å²	72.6	3%	0.027	36%	0.362	C	S	.	.	H	α-helix	trans	-60.1	-36.8	176.5	-60.5	0	0	0	0	111.9	F371 N372 L375 D413 H421	F371-C417 HydrophobicContact CD1-CB 3.6Å; F371-C417 HydrophobicContact CE1-CB 4.01Å; N372-C417 PolarHBondContact ND2-SG 2.86Å; L375-C417 HydrophobicContact CD1-CB 4.45Å; D413-C417 PolarHBondContact O-N 3.29Å; D413-C417 PolarHBondContact O-SG 2.68Å; C417-H421 VanDerWaalsContact O-CB 3.25Å; C417-H421 WeakPolarHBondContact O-CB 3.37Å; C417-H421 PolarHBondContact O-N 2.73Å
418	F	95.6	Very high	94.5	Very high	17 Å²	17	73.5 Å²	73.5	8%	0.075	37%	0.366	C	S	.	.	H	α-helix	trans	-72.1	-40.5	177.1	179.2	-103.8	0	0	0	112.7	L375 L381 T385 W387 A390 A414 L415 V416 H421 I422	L375-F418 HydrophobicContact CD1-CB 4.47Å; L375-F418 HydrophobicContact CD2-CD2 4.42Å; L381-F418 HydrophobicContact CD1-CE2 4.49Å; L381-F418 HydrophobicContact CD2-CE2 4.4Å; T385-F418 WeakPolarHBondContact O-CZ 3.43Å; W387-F418 HydrophobicContact CB-CD1 4.11Å; W387-F418 HydrophobicContact CB-CE1 3.81Å; W387-F418 HydrophobicContact CB-CZ 4.48Å; W387-F418 HydrophobicContact CD2-CD1 4.39Å; W387-F418 HydrophobicContact CE3-CB 3.76Å; W387-F418 AromaticContact CE3-CD1 3.67Å; W387-F418 HydrophobicContact CE3-CD1 3.67Å; W387-F418 AromaticContact CE3-CD2 3.96Å; W387-F418 HydrophobicContact CE3-CD2 3.96Å; W387-F418 HydrophobicContact CE3-CE1 4.24Å; W387-F418 AromaticContact CE3-CG 3.5Å; W387-F418 HydrophobicContact CE3-CG 3.5Å; W387-F418 VanDerWaalsContact CE3-CG 3.5Å; W387-F418 HydrophobicContact CZ3-CB 3.73Å; W387-F418 HydrophobicContact CZ3-CD1 4.49Å; W387-F418 HydrophobicContact CZ3-CD2 4.29Å; W387-F418 AromaticContact CZ3-CG 3.92Å; W387-F418 HydrophobicContact CZ3-CG 3.92Å; A390-F418 HydrophobicContact CB-CD2 3.94Å; A390-F418 HydrophobicContact CB-CE2 3.34Å; A390-F418 HydrophobicContact CB-CZ 3.91Å; A414-F418 WeakPolarHBondContact O-CB 3.44Å; A414-F418 PolarHBondContact O-N 3.12Å; L415-F418 PolarHBondContact O-N 2.81Å; V416-F418 PolarHBondContact O-N 2.93Å; F418-H421 PolarHBondContact O-N 3.32Å; F418-I422 HydrophobicContact CD1-CG1 4.27Å; F418-I422 HydrophobicContact CD2-CG1 4.19Å; F418-I422 HydrophobicContact CE1-CG1 3.8Å; F418-I422 HydrophobicContact CE2-CD1 3.92Å; F418-I422 HydrophobicContact CE2-CG1 3.7Å; F418-I422 HydrophobicContact CG-CG1 4.45Å; F418-I422 HydrophobicContact CZ-CD1 3.79Å; F418-I422 HydrophobicContact CZ-CG1 3.5Å; F418-I422 VanDerWaalsContact CZ-CG1 3.5Å; F418-I422 WeakPolarHBondContact O-CB 3.14Å; F418-I422 WeakPolarHBondContact O-CG1 3.34Å; F418-I422 PolarHBondContact O-N 3.23Å
419	E	95.8	Very high	94.6	Very high	133 Å²	133	69.8 Å²	69.8	62%	0.621	34%	0.344	S	S	*	.	H	α-helix	trans	-62.4	-47.6	174.1	-175.3	173	-162.6	0	0	111.1	L415 V416 H421 I422 C423	L415-E419 PolarHBondContact O-N 3.18Å; V416-E419 PolarHBondContact O-N 3.2Å; E419-H421 VanDerWaalsContact C-N 3.34Å; E419-H421 PolarHBondContact O-N 2.94Å; E419-I422 PolarHBondContact O-N 3.14Å; E419-C423 WeakPolarHBondContact O-CB 3.21Å; E419-C423 PolarHBondContact O-N 2.88Å; E419-C423 PolarHBondContact O-SG 3.04Å
420	E	95.8	Very high	94.6	Very high	126 Å²	126	72.8 Å²	72.8	59%	0.589	36%	0.36	S	S	*	.	H	α-helix	trans	-58.6	-43.5	175.3	-72.2	-178.5	163.3	0	0	111.8	V416 M424	V416-E420 HydrophobicContact CG1-CG 4.38Å; V416-E420 WeakPolarHBondContact O-CB 3.4Å; V416-E420 WeakPolarHBondContact O-CG 3.4Å; V416-E420 PolarHBondContact O-N 2.92Å; E420-M424 WeakPolarHBondContact O-CB 3.39Å; E420-M424 PolarHBondContact O-N 2.91Å
421	H	95.5	Very high	94.7	Very high	14 Å²	14	73.4 Å²	73.4	7%	0.065	36%	0.361	C	S	.	.	H	α-helix	trans	-68.9	-42.3	178.7	-176.2	78.5	0	0	0	113.1	L375 C417 F418 E419 M424 L425	L375-H421 HydrophobicContact CD1-CB 4Å; L375-H421 PolarHBondContact O-NE2 3.03Å; C417-H421 VanDerWaalsContact O-CB 3.25Å; C417-H421 WeakPolarHBondContact O-CB 3.37Å; C417-H421 PolarHBondContact O-N 2.73Å; F418-H421 PolarHBondContact O-N 3.32Å; E419-H421 VanDerWaalsContact C-N 3.34Å; E419-H421 PolarHBondContact O-N 2.94Å; H421-M424 WeakPolarHBondContact O-CB 3.43Å; H421-M424 PolarHBondContact O-N 3.5Å; H421-L425 WeakPolarHBondContact O-CG 3.49Å; H421-L425 PolarHBondContact O-N 2.98Å; H421-L425 VanDerWaalsContact O-N 3.09Å
422	I	95.2	Very high	94.7	Very high	22 Å²	22	68.9 Å²	68.9	11%	0.113	34%	0.344	C	S	.	.	H	α-helix	trans	-64.8	-45.2	175.8	-71.5	-69.5	0	0	0	110.9	L381 T382 F418 E419 M424 L425 E426	L381-I422 HydrophobicContact CD2-CD1 3.63Å; T382-I422 VanDerWaalsContact O-CD1 3.27Å; T382-I422 WeakPolarHBondContact O-CD1 3.47Å; F418-I422 HydrophobicContact CD1-CG1 4.27Å; F418-I422 HydrophobicContact CD2-CG1 4.19Å; F418-I422 HydrophobicContact CE1-CG1 3.8Å; F418-I422 HydrophobicContact CE2-CD1 3.92Å; F418-I422 HydrophobicContact CE2-CG1 3.7Å; F418-I422 HydrophobicContact CG-CG1 4.45Å; F418-I422 HydrophobicContact CZ-CD1 3.79Å; F418-I422 HydrophobicContact CZ-CG1 3.5Å; F418-I422 VanDerWaalsContact CZ-CG1 3.5Å; F418-I422 WeakPolarHBondContact O-CB 3.14Å; F418-I422 WeakPolarHBondContact O-CG1 3.34Å; F418-I422 PolarHBondContact O-N 3.23Å; E419-I422 PolarHBondContact O-N 3.14Å; I422-M424 VanDerWaalsContact C-N 3.28Å; I422-M424 PolarHBondContact O-N 2.96Å; I422-L425 CarbonylContact O-C 3.6Å; I422-L425 PolarHBondContact O-N 3.48Å; I422-L425 VanDerWaalsContact O-N 3.11Å; I422-E426 HydrophobicContact CG2-CG 4.4Å; I422-E426 PolarHBondContact O-N 3.08Å
423	C	95.1	Very high	94.6	Very high	61 Å²	61	66.3 Å²	66.3	41%	0.412	33%	0.331	S	S	.	.	H	α-helix	trans	-64.8	-31.5	178	-73.3	0	0	0	0	112.8	E419 E426 Q427	E419-C423 WeakPolarHBondContact O-CB 3.21Å; E419-C423 PolarHBondContact O-N 2.88Å; E419-C423 PolarHBondContact O-SG 3.04Å; C423-E426 PolarHBondContact O-N 3.17Å; C423-Q427 WeakPolarHBondContact O-CB 3.16Å; C423-Q427 PolarHBondContact O-N 3.03Å
424	M	95.1	Very high	94.4	Very high	97 Å²	97	68.3 Å²	68.3	48%	0.478	34%	0.34	S	S	.	.	H	α-helix	trans	-63.6	-44.9	170.3	-177.2	-175.5	71.8	0	0	111.7	E420 H421 I422 Q427 E428	E420-M424 WeakPolarHBondContact O-CB 3.39Å; E420-M424 PolarHBondContact O-N 2.91Å; H421-M424 WeakPolarHBondContact O-CB 3.43Å; H421-M424 PolarHBondContact O-N 3.5Å; I422-M424 VanDerWaalsContact C-N 3.28Å; I422-M424 PolarHBondContact O-N 2.96Å; M424-Q427 PolarHBondContact O-N 2.7Å; M424-E428 PolarHBondContact O-N 2.63Å
425	L	94.7	Very high	94.3	Very high	29 Å²	29	74.2 Å²	74.2	15%	0.152	36%	0.36	C	S	.	.	H	α-helix	trans	-67.7	-34.1	176.1	-67.7	173.7	0	0	0	112.6	L381 H421 I422 H429	L381-L425 HydrophobicContact CD2-CD1 3.77Å; H421-L425 WeakPolarHBondContact O-CG 3.49Å; H421-L425 PolarHBondContact O-N 2.98Å; H421-L425 VanDerWaalsContact O-N 3.09Å; I422-L425 CarbonylContact O-C 3.6Å; I422-L425 PolarHBondContact O-N 3.48Å; I422-L425 VanDerWaalsContact O-N 3.11Å; L425-H429 VanDerWaalsContact O-CB 3.28Å; L425-H429 WeakPolarHBondContact O-CB 3.39Å; L425-H429 PolarHBondContact O-N 3.2Å; L425-H429 VanDerWaalsContact O-N 3.14Å
426	E	93.9	Very high	94.2	Very high	94 Å²	94	73.5 Å²	73.5	44%	0.439	36%	0.355	S	S	.	.	H	α-helix	trans	-62.9	-44.8	171.5	-74.3	-171.2	128.1	0	0	111.1	Y383 I422 C423 D430	Y383-E426 HydrophobicContact CD2-CG 4.21Å; Y383-E426 HydrophobicContact CG-CG 4.49Å; I422-E426 HydrophobicContact CG2-CG 4.4Å; I422-E426 PolarHBondContact O-N 3.08Å; C423-E426 PolarHBondContact O-N 3.17Å; E426-D430 PolarHBondContact O-N 3.37Å
427	Q	94.6	Very high	94	Very high	118 Å²	118	75.4 Å²	75.4	55%	0.551	35%	0.354	S	S	*	.	H	α-helix	trans	-62.1	-50.6	176.8	-179.2	-179.1	-22.8	0	0	111.6	C423 M424 H429 D430 E431	C423-Q427 WeakPolarHBondContact O-CB 3.16Å; C423-Q427 PolarHBondContact O-N 3.03Å; M424-Q427 PolarHBondContact O-N 2.7Å; Q427-H429 VanDerWaalsContact C-N 3.32Å; Q427-H429 PolarHBondContact O-N 3.04Å; Q427-D430 PolarHBondContact O-N 3.14Å; Q427-E431 HydrophobicContact CG-CG 4.37Å; Q427-E431 WeakPolarHBondContact CG-OE1 3.46Å; Q427-E431 PolarHBondContact NE2-OE1 2.72Å; Q427-E431 WeakPolarHBondContact O-CB 3.39Å; Q427-E431 WeakPolarHBondContact O-CG 3.45Å; Q427-E431 PolarHBondContact O-N 3.46Å
428	E	93.3	Very high	93.9	Very high	113 Å²	113	80.7 Å²	80.7	53%	0.528	37%	0.373	S	S	.	.	H	α-helix	trans	-56.7	-46	179.9	-179.1	175	-155.9	0	0	111.5	M424 D430 E431 D432	M424-E428 PolarHBondContact O-N 2.63Å; E428-D430 PolarHBondContact O-N 2.87Å; E428-E431 PolarHBondContact O-N 2.99Å; E428-D432 WeakPolarHBondContact O-CB 3.49Å; E428-D432 PolarHBondContact O-N 3.49Å
429	H	92.6	Very high	93.8	Very high	49 Å²	49	86.5 Å²	86.5	23%	0.227	40%	0.395	C	S	.	.	H	α-helix	trans	-66.3	-35.3	178.7	159.6	-104.3	0	0	0	113.6	Y383 L425 Q427 K433	Y383-H429 HydrophobicContact CD1-CB 4.03Å; Y383-H429 AromaticContact CD1-CG 3.82Å; Y383-H429 AromaticContact CD1-ND1 3.98Å; Y383-H429 HydrophobicContact CE1-CB 4.29Å; Y383-H429 AromaticContact CE1-CD2 3.45Å; Y383-H429 VanDerWaalsContact CE1-CD2 3.45Å; Y383-H429 WeakPolarHBondContact CE1-CD2 3.42Å; Y383-H429 AromaticContact CE1-CE1 3.49Å; Y383-H429 VanDerWaalsContact CE1-CE1 3.49Å; Y383-H429 WeakPolarHBondContact CE1-CE1 3.4Å; Y383-H429 AromaticContact CE1-CG 3.6Å; Y383-H429 AromaticContact CE1-ND1 3.68Å; Y383-H429 AromaticContact CE1-NE2 3.39Å; Y383-H429 WeakPolarHBondContact CE1-NE2 3.48Å; Y383-H429 AromaticContact CE2-CE1 3.47Å; Y383-H429 VanDerWaalsContact CE2-CE1 3.47Å; Y383-H429 WeakPolarHBondContact CE2-CE1 3.45Å; Y383-H429 AromaticContact CE2-ND1 3.76Å; Y383-H429 AromaticContact CZ-CD2 3.85Å; Y383-H429 AromaticContact CZ-CE1 3.05Å; Y383-H429 AromaticContact CZ-CG 3.98Å; Y383-H429 AromaticContact CZ-ND1 3.57Å; Y383-H429 AromaticContact CZ-NE2 3.27Å; Y383-H429 VanDerWaalsContact CZ-NE2 3.27Å; Y383-H429 PolarHBondContact OH-CE1 2.76Å; Y383-H429 PolarHBondContact OH-NE2 2.95Å; L425-H429 VanDerWaalsContact O-CB 3.28Å; L425-H429 WeakPolarHBondContact O-CB 3.39Å; L425-H429 PolarHBondContact O-N 3.2Å; L425-H429 VanDerWaalsContact O-N 3.14Å; Q427-H429 VanDerWaalsContact C-N 3.32Å; Q427-H429 PolarHBondContact O-N 3.04Å; H429-K433 WeakPolarHBondContact CE1-CE 3.45Å; H429-K433 PolarHBondContact CE1-NZ 3.41Å; H429-K433 VanDerWaalsContact NE2-CE 3.34Å; H429-K433 WeakPolarHBondContact NE2-CE 3.34Å; H429-K433 WeakPolarHBondContact O-CG 3.28Å; H429-K433 PolarHBondContact O-N 3.02Å
430	D	92.3	Very high	93.6	Very high	86 Å²	86	84 Å²	84	46%	0.46	38%	0.383	S	S	.	.	H	α-helix	trans	-78.3	-31.4	175.6	-84.9	15.8	0	0	0	112.5	E426 Q427 E428 K433 E434	E426-D430 PolarHBondContact O-N 3.37Å; Q427-D430 PolarHBondContact O-N 3.14Å; E428-D430 PolarHBondContact O-N 2.87Å; D430-K433 PolarHBondContact O-N 3.38Å; D430-K433 WeakPolarHBondContact OD1-CD 3.45Å; D430-K433 WeakPolarHBondContact OD1-CE 3.33Å; D430-K433 IonicContact OD1-NZ 2.67Å; D430-K433 PolarHBondContact OD1-NZ 3.3Å; D430-E434 PolarHBondContact O-N 2.84Å
431	E	93.7	Very high	93.4	Very high	90 Å²	90	83.9 Å²	83.9	42%	0.421	38%	0.381	S	S	.	.	H	α-helix	trans	-63	-41.7	166.9	-76.8	-172.2	-153.3	0	0	111.8	Q427 E428 E434 R435	Q427-E431 HydrophobicContact CG-CG 4.37Å; Q427-E431 WeakPolarHBondContact CG-OE1 3.46Å; Q427-E431 PolarHBondContact NE2-OE1 2.72Å; Q427-E431 WeakPolarHBondContact O-CB 3.39Å; Q427-E431 WeakPolarHBondContact O-CG 3.45Å; Q427-E431 PolarHBondContact O-N 3.46Å; E428-E431 PolarHBondContact O-N 2.99Å; E431-E434 CarbonylContact O-C 3.59Å; E431-E434 PolarHBondContact O-N 2.87Å; E431-R435 WeakPolarHBondContact O-CB 3.39Å; E431-R435 PolarHBondContact O-N 2.88Å
432	D	92.7	Very high	93.2	Very high	73 Å²	73	88.7 Å²	88.7	39%	0.39	40%	0.399	S	S	.	.	H	α-helix	trans	-61.9	-45.3	174.1	-99	25.9	0	0	0	112	E428 E434 R435 E436	E428-D432 WeakPolarHBondContact O-CB 3.49Å; E428-D432 PolarHBondContact O-N 3.49Å; D432-E434 VanDerWaalsContact C-N 3.31Å; D432-E434 PolarHBondContact O-N 2.87Å; D432-R435 WeakPolarHBondContact O-CB 3.27Å; D432-R435 PolarHBondContact O-N 3.41Å; D432-R435 VanDerWaalsContact O-N 3.15Å; D432-R435 IonicContact OD1-CZ 2.67Å; D432-R435 IonicContact OD1-NH1 3.84Å; D432-R435 PolarHBondContact OD1-NH1 3.23Å; D432-R435 IonicContact OD1-NH2 2.65Å; D432-R435 PolarHBondContact OD1-NH2 2.83Å; D432-E436 WeakPolarHBondContact O-CB 3.27Å; D432-E436 PolarHBondContact O-N 2.9Å
433	K	92.7	Very high	93.1	Very high	88 Å²	88	92.8 Å²	92.8	38%	0.383	42%	0.417	S	S	.	.	H	α-helix	trans	-59	-41.1	171.8	-74	172.8	-172.3	159.2	0	112.3	H429 D430 R435 R437	H429-K433 WeakPolarHBondContact CE1-CE 3.45Å; H429-K433 PolarHBondContact CE1-NZ 3.41Å; H429-K433 VanDerWaalsContact NE2-CE 3.34Å; H429-K433 WeakPolarHBondContact NE2-CE 3.34Å; H429-K433 WeakPolarHBondContact O-CG 3.28Å; H429-K433 PolarHBondContact O-N 3.02Å; D430-K433 PolarHBondContact O-N 3.38Å; D430-K433 WeakPolarHBondContact OD1-CD 3.45Å; D430-K433 WeakPolarHBondContact OD1-CE 3.33Å; D430-K433 IonicContact OD1-NZ 2.67Å; D430-K433 PolarHBondContact OD1-NZ 3.3Å; K433-R435 VanDerWaalsContact C-N 3.34Å; K433-R437 WeakPolarHBondContact O-CB 3.42Å; K433-R437 WeakPolarHBondContact O-CG 3.48Å; K433-R437 PolarHBondContact O-N 2.8Å
434	E	92.4	Very high	93.1	Very high	63 Å²	63	92.4 Å²	92.4	29%	0.294	41%	0.409	S	S	.	.	H	α-helix	trans	-70.2	-33	176.8	-173.6	59.2	-101.2	0	0	111.1	D430 E431 D432 R437 R438	D430-E434 PolarHBondContact O-N 2.84Å; E431-E434 CarbonylContact O-C 3.59Å; E431-E434 PolarHBondContact O-N 2.87Å; D432-E434 VanDerWaalsContact C-N 3.31Å; D432-E434 PolarHBondContact O-N 2.87Å; E434-R437 IonicContact OE1-CZ 2.62Å; E434-R437 IonicContact OE1-NH1 2.82Å; E434-R437 PolarHBondContact OE1-NH1 3.44Å; E434-R437 IonicContact OE1-NH2 3.74Å; E434-R437 IonicContact OE2-CZ 3.78Å; E434-R437 IonicContact OE2-NH1 2.86Å; E434-R437 PolarHBondContact OE2-NH1 2.98Å; E434-R437 IonicContact OE2-NH2 2.69Å; E434-R437 PolarHBondContact OE2-NH2 2.86Å; E434-R438 VanDerWaalsContact O-CB 3.27Å; E434-R438 WeakPolarHBondContact O-CB 3.36Å; E434-R438 VanDerWaalsContact O-CG 3.27Å; E434-R438 WeakPolarHBondContact O-CG 3.42Å; E434-R438 PolarHBondContact O-N 3.15Å; E434-R438 PolarHBondContact O-NE 2.78Å
435	R	92.7	Very high	93	Very high	134 Å²	134	92.6 Å²	92.6	51%	0.506	41%	0.405	S	S	.	.	H	α-helix	trans	-66	-44.8	173.4	-155.7	-175.6	-55.3	134.2	8.9	111	E431 D432 K433 R438 R439	E431-R435 WeakPolarHBondContact O-CB 3.39Å; E431-R435 PolarHBondContact O-N 2.88Å; D432-R435 WeakPolarHBondContact O-CB 3.27Å; D432-R435 PolarHBondContact O-N 3.41Å; D432-R435 VanDerWaalsContact O-N 3.15Å; D432-R435 IonicContact OD1-CZ 2.67Å; D432-R435 IonicContact OD1-NH1 3.84Å; D432-R435 PolarHBondContact OD1-NH1 3.23Å; D432-R435 IonicContact OD1-NH2 2.65Å; D432-R435 PolarHBondContact OD1-NH2 2.83Å; K433-R435 VanDerWaalsContact C-N 3.34Å; R435-R438 PolarHBondContact O-N 3.3Å; R435-R439 PolarHBondContact O-N 3.44Å
436	E	92.8	Very high	93	Very high	63 Å²	63	98.3 Å²	98.3	29%	0.294	43%	0.428	S	S	.	.	H	α-helix	trans	-61.5	-49.9	173.5	177.3	59.7	-135.9	0	0	111.6	D432 R438 R439 Q440	D432-E436 WeakPolarHBondContact O-CB 3.27Å; D432-E436 PolarHBondContact O-N 2.9Å; E436-R438 VanDerWaalsContact C-N 3.32Å; E436-R438 PolarHBondContact O-N 3.08Å; E436-R439 PolarHBondContact O-N 2.75Å; E436-R439 VanDerWaalsContact O-N 3.11Å; E436-R439 IonicContact OE1-CZ 3.44Å; E436-R439 IonicContact OE1-NH1 2.66Å; E436-R439 IonicContact OE1-NH2 2.64Å; E436-R439 PolarHBondContact OE1-NH2 2.78Å; E436-R439 IonicContact OE2-CZ 3.86Å; E436-R439 IonicContact OE2-NH1 3.73Å; E436-R439 PolarHBondContact OE2-NH1 2.64Å; E436-R439 IonicContact OE2-NH2 3.37Å; E436-R439 PolarHBondContact OE2-NH2 2.88Å; E436-Q440 WeakPolarHBondContact O-CG 3.4Å; E436-Q440 PolarHBondContact O-N 2.97Å; E436-Q440 PolarHBondContact OE1-NE2 3.48Å
437	R	91.9	Very high	93.1	Very high	110 Å²	110	95.1 Å²	95.1	42%	0.415	41%	0.414	S	S	.	.	H	α-helix	trans	-61.9	-36.7	176.1	-74.8	-171.3	-71	94.9	-7.1	112.3	K433 E434 K441	K433-R437 WeakPolarHBondContact O-CB 3.42Å; K433-R437 WeakPolarHBondContact O-CG 3.48Å; K433-R437 PolarHBondContact O-N 2.8Å; E434-R437 IonicContact OE1-CZ 2.62Å; E434-R437 IonicContact OE1-NH1 2.82Å; E434-R437 PolarHBondContact OE1-NH1 3.44Å; E434-R437 IonicContact OE1-NH2 3.74Å; E434-R437 IonicContact OE2-CZ 3.78Å; E434-R437 IonicContact OE2-NH1 2.86Å; E434-R437 PolarHBondContact OE2-NH1 2.98Å; E434-R437 IonicContact OE2-NH2 2.69Å; E434-R437 PolarHBondContact OE2-NH2 2.86Å; R437-K441 WeakPolarHBondContact O-CB 3.3Å; R437-K441 VanDerWaalsContact O-CG 3.3Å; R437-K441 WeakPolarHBondContact O-CG 3.41Å; R437-K441 PolarHBondContact O-N 2.93Å
438	R	92.7	Very high	93.1	Very high	114 Å²	114	92.3 Å²	92.3	43%	0.43	40%	0.399	S	S	.	.	H	α-helix	trans	-64.6	-43.6	170.8	-80.6	175.1	-72.9	170.3	-8.9	112	E434 R435 E436 Q440 K441 R442	E434-R438 VanDerWaalsContact O-CB 3.27Å; E434-R438 WeakPolarHBondContact O-CB 3.36Å; E434-R438 VanDerWaalsContact O-CG 3.27Å; E434-R438 WeakPolarHBondContact O-CG 3.42Å; E434-R438 PolarHBondContact O-N 3.15Å; E434-R438 PolarHBondContact O-NE 2.78Å; R435-R438 PolarHBondContact O-N 3.3Å; E436-R438 VanDerWaalsContact C-N 3.32Å; E436-R438 PolarHBondContact O-N 3.08Å; R438-Q440 PolarHBondContact O-N 3.48Å; R438-K441 PolarHBondContact O-N 3.38Å; R438-R442 WeakPolarHBondContact O-CB 3.44Å; R438-R442 WeakPolarHBondContact O-CG 3.19Å; R438-R442 PolarHBondContact O-N 3.11Å
439	R	93.9	Very high	93.2	Very high	140 Å²	140	91.6 Å²	91.6	53%	0.528	40%	0.395	S	S	.	.	H	α-helix	trans	-59.1	-47.4	175.6	-164	-178.5	76.4	-113.9	-10.5	111.1	R435 E436 K441 R442 E443	R435-R439 PolarHBondContact O-N 3.44Å; E436-R439 PolarHBondContact O-N 2.75Å; E436-R439 VanDerWaalsContact O-N 3.11Å; E436-R439 IonicContact OE1-CZ 3.44Å; E436-R439 IonicContact OE1-NH1 2.66Å; E436-R439 IonicContact OE1-NH2 2.64Å; E436-R439 PolarHBondContact OE1-NH2 2.78Å; E436-R439 IonicContact OE2-CZ 3.86Å; E436-R439 IonicContact OE2-NH1 3.73Å; E436-R439 PolarHBondContact OE2-NH1 2.64Å; E436-R439 IonicContact OE2-NH2 3.37Å; E436-R439 PolarHBondContact OE2-NH2 2.88Å; R439-K441 PolarHBondContact O-N 3.36Å; R439-R442 PolarHBondContact O-N 2.82Å; R439-E443 WeakPolarHBondContact O-CB 3.4Å; R439-E443 PolarHBondContact O-N 2.68Å
440	Q	91.5	Very high	93.4	Very high	80 Å²	80	90.8 Å²	90.8	37%	0.374	40%	0.397	S	S	.	.	H	α-helix	trans	-62.2	-41.7	176.8	-66.9	178.1	17.3	0	0	112.5	E436 R438 E443 Q444	E436-Q440 WeakPolarHBondContact O-CG 3.4Å; E436-Q440 PolarHBondContact O-N 2.97Å; E436-Q440 PolarHBondContact OE1-NE2 3.48Å; R438-Q440 PolarHBondContact O-N 3.48Å; Q440-E443 PolarHBondContact O-N 3.28Å; Q440-Q444 WeakPolarHBondContact O-CB 3.44Å; Q440-Q444 WeakPolarHBondContact O-CG 3.46Å; Q440-Q444 PolarHBondContact O-N 2.89Å
441	K	91.4	Very high	93.6	Very high	124 Å²	124	86.7 Å²	86.7	54%	0.539	38%	0.375	S	S	.	.	H	α-helix	trans	-60.5	-45.9	173.1	-76.1	172.3	177.8	179.3	0	111.8	R437 R438 R439 Q444 R445	R437-K441 WeakPolarHBondContact O-CB 3.3Å; R437-K441 VanDerWaalsContact O-CG 3.3Å; R437-K441 WeakPolarHBondContact O-CG 3.41Å; R437-K441 PolarHBondContact O-N 2.93Å; R438-K441 PolarHBondContact O-N 3.38Å; R439-K441 PolarHBondContact O-N 3.36Å; K441-Q444 PolarHBondContact O-N 2.69Å; K441-R445 WeakPolarHBondContact O-CB 3.45Å; K441-R445 PolarHBondContact O-N 3.37Å
442	R	92.1	Very high	93.8	Very high	115 Å²	115	85.7 Å²	85.7	43%	0.434	37%	0.372	S	S	.	.	H	α-helix	trans	-62.9	-41.3	177.1	-73.9	179.8	174.8	-172.5	-2.5	111.5	R438 R439 R445 K446 D743	R438-R442 WeakPolarHBondContact O-CB 3.44Å; R438-R442 WeakPolarHBondContact O-CG 3.19Å; R438-R442 PolarHBondContact O-N 3.11Å; R439-R442 PolarHBondContact O-N 2.82Å; R442-R445 WeakPolarHBondContact O-CB 3.5Å; R442-R445 PolarHBondContact O-N 2.8Å; R442-K446 WeakPolarHBondContact O-CG 3.47Å; R442-K446 PolarHBondContact O-N 2.87Å; R442-D743 IonicContact NH2-OD2 2.94Å; R442-D743 PolarHBondContact NH2-OD2 2.72Å
443	E	93.4	Very high	94	Very high	108 Å²	108	85.6 Å²	85.6	51%	0.505	37%	0.374	S	S	.	.	H	α-helix	trans	-67.3	-44.3	176.4	-177.2	176.8	-172.9	0	0	112.6	R439 Q440 R445 K446 N447	R439-E443 WeakPolarHBondContact O-CB 3.4Å; R439-E443 PolarHBondContact O-N 2.68Å; Q440-E443 PolarHBondContact O-N 3.28Å; E443-R445 VanDerWaalsContact C-N 3.28Å; E443-R445 PolarHBondContact O-N 3.36Å; E443-K446 PolarHBondContact O-N 3.48Å; E443-N447 WeakPolarHBondContact O-CB 3.32Å; E443-N447 PolarHBondContact O-N 2.85Å; E443-N447 PolarHBondContact O-ND2 2.99Å
444	Q	94.2	Very high	94.2	Very high	53 Å²	53	81.8 Å²	81.8	25%	0.248	36%	0.357	C	S	.	.	H	α-helix	trans	-61.9	-36.4	174.7	-69.9	172.4	29.9	0	0	111.8	Q440 K441 R448 Q489	Q440-Q444 WeakPolarHBondContact O-CB 3.44Å; Q440-Q444 WeakPolarHBondContact O-CG 3.46Å; Q440-Q444 PolarHBondContact O-N 2.89Å; K441-Q444 PolarHBondContact O-N 2.69Å; Q444-R448 WeakPolarHBondContact O-CG 3.46Å; Q444-R448 PolarHBondContact O-N 2.79Å; Q444-R448 VanDerWaalsContact O-N 3.12Å; Q444-R448 PolarHBondContact O-NH1 3.03Å; Q444-Q489 HydrophobicContact CG-CB 4.34Å; Q444-Q489 HydrophobicContact CG-CG 3.99Å; Q444-Q489 PolarHBondContact O-OE1 3.26Å
445	R	92.8	Very high	94.4	Very high	101 Å²	101	78.8 Å²	78.8	38%	0.381	34%	0.343	S	S	.	.	H	α-helix	trans	-60.9	-53.9	171.8	-177.1	-172.7	-67.5	148.5	-0.8	111.2	K441 R442 E443 N447 R448 E449 D740	K441-R445 WeakPolarHBondContact O-CB 3.45Å; K441-R445 PolarHBondContact O-N 3.37Å; R442-R445 WeakPolarHBondContact O-CB 3.5Å; R442-R445 PolarHBondContact O-N 2.8Å; E443-R445 VanDerWaalsContact C-N 3.28Å; E443-R445 PolarHBondContact O-N 3.36Å; R445-N447 VanDerWaalsContact C-N 3.29Å; R445-N447 PolarHBondContact O-N 3.24Å; R445-R448 WeakPolarHBondContact O-CB 3.11Å; R445-R448 PolarHBondContact O-N 3.39Å; R445-E449 WeakPolarHBondContact CG-OE1 3.45Å; R445-E449 PolarHBondContact O-N 3.42Å; R445-D740 IonicContact CZ-OD2 3.27Å; R445-D740 IonicContact NH1-OD2 3.95Å; R445-D740 PolarHBondContact NH1-OD2 2.89Å; R445-D740 IonicContact NH2-OD2 2.85Å; R445-D740 PolarHBondContact NH2-OD2 3.43Å
446	K	95.3	Very high	94.6	Very high	149 Å²	149	75.9 Å²	75.9	65%	0.648	34%	0.338	S	S	*	.	H	α-helix	trans	-57.8	-37.2	177.5	-72.6	-176.4	176.6	-173.3	0	113.5	R442 E443 E449 A450	R442-K446 WeakPolarHBondContact O-CG 3.47Å; R442-K446 PolarHBondContact O-N 2.87Å; E443-K446 PolarHBondContact O-N 3.48Å; K446-E449 WeakPolarHBondContact CA-OE2 3.2Å; K446-E449 PolarHBondContact O-N 2.93Å; K446-A450 WeakPolarHBondContact O-CB 3.37Å; K446-A450 PolarHBondContact O-N 3.42Å
447	N	95.5	Very high	94.7	Very high	27 Å²	27	75.9 Å²	75.9	14%	0.144	34%	0.338	C	S	.	.	H	α-helix	trans	-68.6	-34.8	176	-77.8	-39.9	0	0	0	112.8	E443 R445 F451 Q489	E443-N447 WeakPolarHBondContact O-CB 3.32Å; E443-N447 PolarHBondContact O-N 2.85Å; E443-N447 PolarHBondContact O-ND2 2.99Å; R445-N447 VanDerWaalsContact C-N 3.29Å; R445-N447 PolarHBondContact O-N 3.24Å; N447-F451 PolarHBondContact O-N 3.44Å; N447-F451 VanDerWaalsContact O-N 3.12Å; N447-Q489 PolarHBondContact ND2-NE2 3.03Å
448	R	95.2	Very high	94.9	Very high	59 Å²	59	70.8 Å²	70.8	22%	0.223	32%	0.319	C	S	.	.	H	α-helix	trans	-68.3	-41.5	171.5	-71.5	-173.9	-65.5	-91.5	4.5	112.5	Q444 R445 F451 I452 M486 R490 L497	Q444-R448 WeakPolarHBondContact O-CG 3.46Å; Q444-R448 PolarHBondContact O-N 2.79Å; Q444-R448 VanDerWaalsContact O-N 3.12Å; Q444-R448 PolarHBondContact O-NH1 3.03Å; R445-R448 WeakPolarHBondContact O-CB 3.11Å; R445-R448 PolarHBondContact O-N 3.39Å; R448-F451 PolarHBondContact O-N 3.4Å; R448-I452 WeakPolarHBondContact O-CG1 3.26Å; R448-I452 PolarHBondContact O-N 3.12Å; R448-M486 HydrophobicContact CB-SD 4.13Å; R448-M486 HydrophobicContact CG-CG 4.17Å; R448-M486 HydrophobicContact CG-SD 3.65Å; R448-R490 PolarHBondContact NH1-O 3.13Å; R448-L497 HydrophobicContact CB-CD1 3.98Å; R448-L497 HydrophobicContact CG-CD1 4.08Å
449	E	96.1	Very high	95	Very high	98 Å²	98	66.7 Å²	66.7	46%	0.458	31%	0.305	S	S	.	.	H	α-helix	trans	-61.9	-46.6	175	-70.5	157.4	-179.2	0	0	111.1	R445 K446 F451 I452 V453	R445-E449 WeakPolarHBondContact CG-OE1 3.45Å; R445-E449 PolarHBondContact O-N 3.42Å; K446-E449 WeakPolarHBondContact CA-OE2 3.2Å; K446-E449 PolarHBondContact O-N 2.93Å; E449-F451 VanDerWaalsContact C-N 3.27Å; E449-F451 PolarHBondContact O-N 2.65Å; E449-I452 WeakPolarHBondContact O-CB 3.44Å; E449-I452 PolarHBondContact O-N 3.38Å; E449-V453 PolarHBondContact O-N 3.04Å
450	A	96.5	Very high	95	Very high	31 Å²	31	67.6 Å²	67.6	26%	0.256	32%	0.315	S	S	.	.	H	α-helix	trans	-59.4	-36	174.8	0	0	0	0	0	112.7	K446 V453 L454 R482	K446-A450 WeakPolarHBondContact O-CB 3.37Å; K446-A450 PolarHBondContact O-N 3.42Å; A450-V453 PolarHBondContact O-N 3.2Å; A450-L454 PolarHBondContact O-N 3.01Å; A450-L454 VanDerWaalsContact O-N 3.13Å; A450-R482 HydrophobicContact CB-CB 4.47Å; A450-R482 HydrophobicContact CB-CG 4.16Å; A450-R482 WeakPolarHBondContact O-CD 3.32Å
451	F	96.9	Very high	95.1	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-69.2	-34.1	173.4	-173.6	-96.1	0	0	0	113	N447 R448 E449 V453 L454 L455 W470 I477 F483 M486 P494 L497	N447-F451 PolarHBondContact O-N 3.44Å; N447-F451 VanDerWaalsContact O-N 3.12Å; R448-F451 PolarHBondContact O-N 3.4Å; E449-F451 VanDerWaalsContact C-N 3.27Å; E449-F451 PolarHBondContact O-N 2.65Å; F451-V453 VanDerWaalsContact C-N 3.34Å; F451-L454 HydrophobicContact CD2-CD2 4.02Å; F451-L454 HydrophobicContact CE2-CD2 3.99Å; F451-L454 WeakPolarHBondContact O-CB 3.2Å; F451-L454 PolarHBondContact O-N 2.59Å; F451-L455 HydrophobicContact CD1-CD1 4.27Å; F451-L455 HydrophobicContact CD1-CG 4.3Å; F451-L455 HydrophobicContact CE1-CD1 3.92Å; F451-L455 HydrophobicContact CE1-CD2 3.97Å; F451-L455 HydrophobicContact CE1-CG 4.02Å; F451-L455 HydrophobicContact CZ-CD2 4.1Å; F451-L455 WeakPolarHBondContact O-CG 3.34Å; F451-L455 PolarHBondContact O-N 3.16Å; F451-W470 HydrophobicContact CZ-CH2 4.23Å; F451-W470 HydrophobicContact CZ-CZ3 4.12Å; F451-I477 HydrophobicContact CE2-CG2 3.73Å; F451-I477 HydrophobicContact CZ-CG2 4.06Å; F451-F483 HydrophobicContact CD2-CB 4.3Å; F451-F483 HydrophobicContact CE2-CB 4.04Å; F451-F483 AromaticContact CE2-CD2 3.85Å; F451-F483 HydrophobicContact CE2-CD2 3.85Å; F451-F483 HydrophobicContact CE2-CG 4.44Å; F451-F483 HydrophobicContact CZ-CD2 4.5Å; F451-M486 HydrophobicContact CB-CE 3.66Å; F451-M486 HydrophobicContact CB-SD 3.57Å; F451-M486 VanDerWaalsContact CB-SD 3.57Å; F451-M486 HydrophobicContact CD1-CE 3.45Å; F451-M486 VanDerWaalsContact CD1-CE 3.45Å; F451-M486 HydrophobicContact CD1-SD 4.31Å; F451-M486 HydrophobicContact CD2-CE 3.67Å; F451-M486 HydrophobicContact CE1-CE 3.94Å; F451-M486 HydrophobicContact CE2-CE 4.16Å; F451-M486 HydrophobicContact CG-CE 3.28Å; F451-M486 HydrophobicContact CG-SD 3.93Å; F451-M486 HydrophobicContact CZ-CE 4.28Å; F451-P494 HydrophobicContact CE1-CB 4.25Å; F451-P494 WeakPolarHBondContact CE1-O 3.47Å; F451-P494 HydrophobicContact CE2-CB 4.2Å; F451-P494 HydrophobicContact CZ-CB 3.86Å; F451-L497 HydrophobicContact CD1-CB 4.01Å; F451-L497 HydrophobicContact CD1-CD1 3.94Å; F451-L497 HydrophobicContact CE1-CB 4.11Å
452	I	96.4	Very high	95	Very high	69 Å²	69	68.1 Å²	68.1	35%	0.354	32%	0.318	S	S	.	.	H	α-helix	trans	-64.2	-42	172.9	-66.8	165.4	0	0	0	110.1	R448 E449 L454 L455 D456 L497	R448-I452 WeakPolarHBondContact O-CG1 3.26Å; R448-I452 PolarHBondContact O-N 3.12Å; E449-I452 WeakPolarHBondContact O-CB 3.44Å; E449-I452 PolarHBondContact O-N 3.38Å; I452-L454 VanDerWaalsContact C-N 3.28Å; I452-L454 PolarHBondContact O-N 2.93Å; I452-L455 CarbonylContact O-C 3.47Å; I452-L455 WeakPolarHBondContact O-CA 3.48Å; I452-L455 WeakPolarHBondContact O-CB 3.45Å; I452-L455 PolarHBondContact O-N 3.46Å; I452-D456 PolarHBondContact O-N 3.18Å; I452-L497 HydrophobicContact CG1-CD1 4.42Å
453	V	97.1	Very high	95.1	Very high	72 Å²	72	66 Å²	66	44%	0.436	32%	0.315	S	S	.	.	H	α-helix	trans	-60	-35.9	174.2	177.8	0	0	0	0	112.1	E449 A450 F451 L455 D456 E457	E449-V453 PolarHBondContact O-N 3.04Å; A450-V453 PolarHBondContact O-N 3.2Å; F451-V453 VanDerWaalsContact C-N 3.34Å; V453-L455 VanDerWaalsContact C-N 3.31Å; V453-L455 PolarHBondContact O-N 3.31Å; V453-D456 PolarHBondContact O-N 3.09Å; V453-E457 WeakPolarHBondContact O-CG 3.47Å; V453-E457 PolarHBondContact O-N 2.8Å
454	L	96.7	Very high	95.1	Very high	7 Å²	7	60.9 Å²	60.9	4%	0.037	29%	0.291	C	S	.	.	H	α-helix	trans	-62.3	-35.8	170.3	169.8	63	0	0	0	112.3	A450 F451 I452 L458 I477 D480	A450-L454 PolarHBondContact O-N 3.01Å; A450-L454 VanDerWaalsContact O-N 3.13Å; F451-L454 HydrophobicContact CD2-CD2 4.02Å; F451-L454 HydrophobicContact CE2-CD2 3.99Å; F451-L454 WeakPolarHBondContact O-CB 3.2Å; F451-L454 PolarHBondContact O-N 2.59Å; I452-L454 VanDerWaalsContact C-N 3.28Å; I452-L454 PolarHBondContact O-N 2.93Å; L454-L458 HydrophobicContact CD1-CD1 4.05Å; L454-L458 HydrophobicContact CD1-CG 4.16Å; L454-L458 HydrophobicContact CG-CD1 4.19Å; L454-L458 WeakPolarHBondContact O-CB 3.36Å; L454-L458 VanDerWaalsContact O-CG 3.22Å; L454-L458 WeakPolarHBondContact O-CG 3.43Å; L454-L458 PolarHBondContact O-N 3.34Å; L454-I477 HydrophobicContact CD2-CG2 4.42Å; L454-D480 HydrophobicContact CD1-CB 4.24Å; L454-D480 HydrophobicContact CD2-CB 3.76Å
455	L	96.9	Very high	95.1	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-71.4	-36.5	175.5	-58	-176	0	0	0	111.9	F451 I452 V453 L458 H459 L464 F498 Y501	F451-L455 HydrophobicContact CD1-CD1 4.27Å; F451-L455 HydrophobicContact CD1-CG 4.3Å; F451-L455 HydrophobicContact CE1-CD1 3.92Å; F451-L455 HydrophobicContact CE1-CD2 3.97Å; F451-L455 HydrophobicContact CE1-CG 4.02Å; F451-L455 HydrophobicContact CZ-CD2 4.1Å; F451-L455 WeakPolarHBondContact O-CG 3.34Å; F451-L455 PolarHBondContact O-N 3.16Å; I452-L455 CarbonylContact O-C 3.47Å; I452-L455 WeakPolarHBondContact O-CA 3.48Å; I452-L455 WeakPolarHBondContact O-CB 3.45Å; I452-L455 PolarHBondContact O-N 3.46Å; V453-L455 VanDerWaalsContact C-N 3.31Å; V453-L455 PolarHBondContact O-N 3.31Å; L455-L458 PolarHBondContact O-N 3.25Å; L455-H459 WeakPolarHBondContact O-CB 3.27Å; L455-H459 PolarHBondContact O-N 3.22Å; L455-L464 HydrophobicContact CB-CD1 4.03Å; L455-L464 HydrophobicContact CD2-CD1 3.76Å; L455-L464 HydrophobicContact CG-CD1 4.4Å; L455-F498 HydrophobicContact CD1-CB 4.46Å; L455-F498 HydrophobicContact CD2-CD2 4.02Å; L455-Y501 HydrophobicContact CB-CD1 4.33Å; L455-Y501 HydrophobicContact CB-CD2 3.65Å; L455-Y501 HydrophobicContact CB-CE1 4.49Å; L455-Y501 HydrophobicContact CB-CE2 3.83Å; L455-Y501 HydrophobicContact CB-CG 3.93Å; L455-Y501 HydrophobicContact CD1-CD2 3.95Å; L455-Y501 HydrophobicContact CD1-CG 3.87Å; L455-Y501 HydrophobicContact CG-CD2 4.47Å
456	D	96.2	Very high	95.1	Very high	74 Å²	74	54.5 Å²	54.5	40%	0.396	27%	0.266	S	S	.	.	H	α-helix	trans	-63.4	-46.5	172.1	-71.6	-52.4	0	0	0	111.7	I452 V453 L458 H459 E460 Y501	I452-D456 PolarHBondContact O-N 3.18Å; V453-D456 PolarHBondContact O-N 3.09Å; D456-L458 VanDerWaalsContact C-N 3.35Å; D456-L458 PolarHBondContact O-N 3.03Å; D456-H459 WeakPolarHBondContact O-CB 3.37Å; D456-H459 PolarHBondContact O-N 3.12Å; D456-H459 VanDerWaalsContact O-N 3.08Å; D456-E460 PolarHBondContact O-N 2.9Å; D456-Y501 WeakPolarHBondContact CA-OH 3.13Å; D456-Y501 VanDerWaalsContact OD1-CE2 3.24Å; D456-Y501 WeakPolarHBondContact OD1-CE2 3.43Å; D456-Y501 VanDerWaalsContact OD1-CZ 3.3Å; D456-Y501 PolarHBondContact OD1-OH 2.91Å
457	E	96.4	Very high	94.9	Very high	63 Å²	63	51.2 Å²	51.2	29%	0.294	26%	0.255	S	S	.	.	H	α-helix	trans	-57.7	-44.9	173.9	-76.1	168.7	-152.8	0	0	112	V453 H459 E460 Q461 R482	V453-E457 WeakPolarHBondContact O-CG 3.47Å; V453-E457 PolarHBondContact O-N 2.8Å; E457-H459 VanDerWaalsContact C-N 3.27Å; E457-H459 PolarHBondContact O-N 3.28Å; E457-E460 PolarHBondContact O-N 2.91Å; E457-Q461 VanDerWaalsContact O-CB 3.3Å; E457-Q461 WeakPolarHBondContact O-CB 3.47Å; E457-Q461 WeakPolarHBondContact O-CG 3.5Å; E457-Q461 PolarHBondContact O-N 2.9Å; E457-R482 VanDerWaalsContact CD-NH1 3.3Å; E457-R482 IonicContact OE1-CZ 2.78Å; E457-R482 IonicContact OE1-NH1 3.51Å; E457-R482 PolarHBondContact OE1-NH1 3.32Å; E457-R482 IonicContact OE1-NH2 3.46Å; E457-R482 IonicContact OE2-CZ 3.18Å; E457-R482 IonicContact OE2-NH1 3.38Å; E457-R482 PolarHBondContact OE2-NH1 3.37Å; E457-R482 IonicContact OE2-NH2 2.71Å; E457-R482 PolarHBondContact OE2-NH2 3.46Å
458	L	96.1	Very high	94.8	Very high	3 Å²	3	51 Å²	51	2%	0.016	26%	0.255	C	S	.	.	H	α-helix	trans	-67.2	-28	177	-70.7	170.8	0	0	0	112.4	L454 L455 D456 K462 L463 L464 I476 I477	L454-L458 HydrophobicContact CD1-CD1 4.05Å; L454-L458 HydrophobicContact CD1-CG 4.16Å; L454-L458 HydrophobicContact CG-CD1 4.19Å; L454-L458 WeakPolarHBondContact O-CB 3.36Å; L454-L458 VanDerWaalsContact O-CG 3.22Å; L454-L458 WeakPolarHBondContact O-CG 3.43Å; L454-L458 PolarHBondContact O-N 3.34Å; L455-L458 PolarHBondContact O-N 3.25Å; D456-L458 VanDerWaalsContact C-N 3.35Å; D456-L458 PolarHBondContact O-N 3.03Å; L458-K462 PolarHBondContact O-N 3.04Å; L458-L463 HydrophobicContact CD2-CB 4.36Å; L458-L463 HydrophobicContact CD2-CD1 3.83Å; L458-L463 PolarHBondContact O-N 3.05Å; L458-L464 HydrophobicContact CB-CB 3.87Å; L458-L464 HydrophobicContact CB-CD1 4.39Å; L458-L464 PolarHBondContact O-N 3.13Å; L458-I476 HydrophobicContact CD2-CG2 3.96Å; L458-I477 HydrophobicContact CD1-CD1 4.32Å; L458-I477 HydrophobicContact CD1-CG1 3.77Å
459	H	94.9	Very high	94.8	Very high	27 Å²	27	52 Å²	52	13%	0.125	26%	0.264	C	S	.	.	H	α-helix	trans	-76.7	-41.5	175.4	-176.2	49.3	0	0	0	112	L455 D456 E457 K462 L464 Y501 D550	L455-H459 WeakPolarHBondContact O-CB 3.27Å; L455-H459 PolarHBondContact O-N 3.22Å; D456-H459 WeakPolarHBondContact O-CB 3.37Å; D456-H459 PolarHBondContact O-N 3.12Å; D456-H459 VanDerWaalsContact O-N 3.08Å; E457-H459 VanDerWaalsContact C-N 3.27Å; E457-H459 PolarHBondContact O-N 3.28Å; H459-K462 PolarHBondContact O-N 3.43Å; H459-K462 VanDerWaalsContact O-N 3.08Å; H459-L464 WeakPolarHBondContact CA-O 3.22Å; H459-L464 HydrophobicContact CB-CB 4.38Å; H459-L464 PolarHBondContact ND1-O 2.97Å; H459-Y501 HydrophobicContact CB-CE1 4.16Å; H459-D550 IonicContact CE1-OD1 3.15Å; H459-D550 PolarHBondContact CE1-OD1 2.72Å; H459-D550 IonicContact ND1-OD1 3.63Å
460	E	92.9	Very high	94.8	Very high	159 Å²	159	49.8 Å²	49.8	74%	0.743	25%	0.252	S	S	*	.	H	α-helix	trans	-63.3	-41.4	173.2	-173.9	169.5	-146.1	0	0	111.4	D456 E457 K462	D456-E460 PolarHBondContact O-N 2.9Å; E457-E460 PolarHBondContact O-N 2.91Å; E460-K462 PolarHBondContact O-N 3.26Å; E460-K462 VanDerWaalsContact O-N 3.13Å
461	Q	93	Very high	94.8	Very high	117 Å²	117	55 Å²	55	55%	0.547	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	0.9	172.5	-68.8	171.4	29.6	0	0	114.5	E457 L463	E457-Q461 VanDerWaalsContact O-CB 3.3Å; E457-Q461 WeakPolarHBondContact O-CB 3.47Å; E457-Q461 WeakPolarHBondContact O-CG 3.5Å; E457-Q461 PolarHBondContact O-N 2.9Å; Q461-L463 HydrophobicContact CB-CD1 4.2Å; Q461-L463 HydrophobicContact CB-CG 4.22Å; Q461-L463 PolarHBondContact O-N 2.95Å
462	K	90.5	Very high	94.6	Very high	99 Å²	99	58.5 Å²	58.5	43%	0.43	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	14.8	178.9	-47.8	-50.8	-161	164.6	0	115.8	L458 H459 E460 E551	L458-K462 PolarHBondContact O-N 3.04Å; H459-K462 PolarHBondContact O-N 3.43Å; H459-K462 VanDerWaalsContact O-N 3.08Å; E460-K462 PolarHBondContact O-N 3.26Å; E460-K462 VanDerWaalsContact O-N 3.13Å; K462-E551 HydrophobicContact CD-CG 4.41Å; K462-E551 WeakPolarHBondContact CD-OE1 3.48Å; K462-E551 WeakPolarHBondContact CE-OE1 3.5Å; K462-E551 VanDerWaalsContact CG-OE1 3.26Å; K462-E551 WeakPolarHBondContact CG-OE1 3.48Å; K462-E551 IonicContact NZ-OE1 3.94Å; K462-E551 PolarHBondContact NZ-OE1 2.99Å
463	L	93.2	Very high	94.6	Very high	71 Å²	71	55.7 Å²	55.7	37%	0.372	27%	0.273	S	S	.	.	S	Bend	trans	-83.3	-38.8	176.2	-59	173.4	0	0	0	110.9	L458 Q461 S468 L473 I476	L458-L463 HydrophobicContact CD2-CB 4.36Å; L458-L463 HydrophobicContact CD2-CD1 3.83Å; L458-L463 PolarHBondContact O-N 3.05Å; Q461-L463 HydrophobicContact CB-CD1 4.2Å; Q461-L463 HydrophobicContact CB-CG 4.22Å; Q461-L463 PolarHBondContact O-N 2.95Å; L463-S468 PolarHBondContact O-OG 3.32Å; L463-S468 VanDerWaalsContact O-OG 3.05Å; L463-L473 HydrophobicContact CB-CD2 4Å; L463-I476 HydrophobicContact CD1-CD1 4Å
464	L	94.5	Very high	94.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.271	C	S	.	.			trans	-98.2	124.6	176.3	-162.6	161.5	0	0	0	110.4	L455 L458 H459 L473 F498 Y501 V502 L505	L455-L464 HydrophobicContact CB-CD1 4.03Å; L455-L464 HydrophobicContact CD2-CD1 3.76Å; L455-L464 HydrophobicContact CG-CD1 4.4Å; L458-L464 HydrophobicContact CB-CB 3.87Å; L458-L464 HydrophobicContact CB-CD1 4.39Å; L458-L464 PolarHBondContact O-N 3.13Å; H459-L464 WeakPolarHBondContact CA-O 3.22Å; H459-L464 HydrophobicContact CB-CB 4.38Å; H459-L464 PolarHBondContact ND1-O 2.97Å; L464-L473 HydrophobicContact CB-CD1 3.95Å; L464-L473 HydrophobicContact CD1-CD1 4.35Å; L464-L473 HydrophobicContact CG-CD1 3.96Å; L464-F498 HydrophobicContact CD1-CD2 4.06Å; L464-F498 HydrophobicContact CD1-CE2 3.75Å; L464-F498 HydrophobicContact CG-CE2 4.14Å; L464-Y501 HydrophobicContact CD1-CD1 4.36Å; L464-Y501 HydrophobicContact CD2-CD1 3.62Å; L464-Y501 HydrophobicContact CD2-CE1 3.72Å; L464-V502 HydrophobicContact CD2-CG2 4.08Å; L464-L505 HydrophobicContact CD2-CD1 3.7Å
465	T	93.3	Very high	94.4	Very high	19 Å²	19	62.3 Å²	62.3	12%	0.117	30%	0.295	C	S	.	.			trans	-134.5	171.2	176	67.1	0	0	0	0	110.6	M467 S468 D550 E551	T465-M467 PolarHBondContact O-N 2.94Å; T465-M467 PolarHBondContact OG1-N 2.86Å; T465-S468 PolarHBondContact N-OG 3.34Å; T465-S468 PolarHBondContact O-N 3.46Å; T465-S468 VanDerWaalsContact O-N 3.07Å; T465-S468 PolarHBondContact OG1-N 3.42Å; T465-S468 PolarHBondContact OG1-OG 3.43Å; T465-D550 WeakPolarHBondContact CA-OD1 3.44Å; T465-D550 VanDerWaalsContact CB-OD1 3.28Å; T465-D550 WeakPolarHBondContact CB-OD1 3.5Å; T465-E551 HydrophobicContact CG2-CB 4.08Å
466	S	93.1	Very high	94.3	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-18.4	169.7	64.3	0	0	0	0	113.9	V502 R506 D550 G552 N553	S466-V502 WeakPolarHBondContact O-CG1 3.37Å; S466-R506 VanDerWaalsContact O-CZ 3.24Å; S466-R506 PolarHBondContact O-NE 2.86Å; S466-R506 PolarHBondContact O-NH2 2.78Å; S466-D550 WeakPolarHBondContact CB-OD2 3.47Å; S466-D550 PolarHBondContact N-OD1 3.4Å; S466-D550 VanDerWaalsContact N-OD1 3.1Å; S466-D550 PolarHBondContact N-OD2 3.01Å; S466-D550 VanDerWaalsContact N-OD2 3.13Å; S466-D550 PolarHBondContact OG-OD2 3.5Å; S466-G552 VanDerWaalsContact OG-C 3.31Å; S466-G552 WeakPolarHBondContact OG-CA 3.05Å; S466-N553 PolarHBondContact OG-N 3.41Å; S466-N553 PolarHBondContact OG-OD1 3.13Å
467	M	90.8	Very high	94.3	Very high	81 Å²	81	61.2 Å²	61.2	40%	0.399	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-12.7	178.4	-65.1	-171	77.3	0	0	114.1	T465 R555 M556	T465-M467 PolarHBondContact O-N 2.94Å; T465-M467 PolarHBondContact OG1-N 2.86Å; M467-R555 HydrophobicContact SD-CB 3.98Å; M467-R555 HydrophobicContact SD-CG 4Å; M467-M556 HydrophobicContact CE-CG 4.3Å; M467-M556 HydrophobicContact CG-CG 4.15Å; M467-M556 HydrophobicContact CG-SD 4.08Å; M467-M556 HydrophobicContact SD-CG 3.7Å; M467-M556 HydrophobicContact SD-SD 4.42Å
468	S	94.4	Very high	94.2	Very high	23 Å²	23	60.9 Å²	60.9	16%	0.161	29%	0.289	C	S	.	.			trans	-66.7	145.3	-177.1	-58.6	0	0	0	0	112.1	L463 T465	L463-S468 PolarHBondContact O-OG 3.32Å; L463-S468 VanDerWaalsContact O-OG 3.05Å; T465-S468 PolarHBondContact N-OG 3.34Å; T465-S468 PolarHBondContact O-N 3.46Å; T465-S468 VanDerWaalsContact O-N 3.07Å; T465-S468 PolarHBondContact OG1-N 3.42Å; T465-S468 PolarHBondContact OG1-OG 3.43Å
469	L	95	Very high	94.2	Very high	79 Å²	79	68.7 Å²	68.7	41%	0.414	32%	0.323	S	S	.	.			trans	-112.3	144.4	179.4	-54.3	174.8	0	0	0	110.6	K471 D472 L473	L469-K471 VanDerWaalsContact C-N 3.29Å; L469-K471 HydrophobicContact CB-CG 4.06Å; L469-K471 PolarHBondContact O-N 3.37Å; L469-D472 WeakPolarHBondContact CB-OD2 3.41Å; L469-D472 PolarHBondContact O-N 3.18Å; L469-L473 PolarHBondContact O-N 2.82Å
470	W	96	Very high	94.2	Very high	52 Å²	52	69.1 Å²	69.1	20%	0.197	33%	0.326	C	S	.	.	H	α-helix	trans	-49.7	-47.8	-179.1	175.3	-99.3	0	0	0	113	F451 D472 L473 Y474 I477 F483 P494 L495 F498	F451-W470 HydrophobicContact CZ-CH2 4.23Å; F451-W470 HydrophobicContact CZ-CZ3 4.12Å; W470-D472 PolarHBondContact O-N 3.14Å; W470-D472 VanDerWaalsContact O-N 3.13Å; W470-L473 PolarHBondContact O-N 2.84Å; W470-Y474 AromaticContact CE2-CD2 3.81Å; W470-Y474 AromaticContact CZ2-CD2 3.76Å; W470-Y474 HydrophobicContact CZ2-CD2 3.76Å; W470-Y474 HydrophobicContact CZ2-CE2 4.22Å; W470-Y474 AromaticContact NE1-CD2 3.61Å; W470-Y474 WeakPolarHBondContact O-CB 3.34Å; W470-Y474 PolarHBondContact O-N 3.42Å; W470-I477 HydrophobicContact CE3-CD1 4.14Å; W470-I477 HydrophobicContact CH2-CD1 4.39Å; W470-I477 HydrophobicContact CH2-CG2 4.03Å; W470-I477 HydrophobicContact CZ3-CD1 3.8Å; W470-I477 HydrophobicContact CZ3-CG2 4.4Å; W470-F483 HydrophobicContact CH2-CD2 4.31Å; W470-F483 AromaticContact CH2-CE2 3.87Å; W470-F483 HydrophobicContact CH2-CE2 3.87Å; W470-F483 AromaticContact CZ2-CE2 3.97Å; W470-F483 HydrophobicContact CZ2-CE2 3.97Å; W470-P494 HydrophobicContact CH2-CB 3.77Å; W470-P494 HydrophobicContact CZ2-CB 4.49Å; W470-L495 HydrophobicContact CB-CD1 3.79Å; W470-L495 HydrophobicContact CD2-CD1 3.77Å; W470-L495 HydrophobicContact CE3-CD1 4.24Å; W470-L495 HydrophobicContact CG-CD1 3.55Å; W470-F498 HydrophobicContact CB-CD1 4.07Å; W470-F498 HydrophobicContact CB-CE1 3.95Å; W470-F498 HydrophobicContact CE3-CB 3.62Å; W470-F498 AromaticContact CE3-CD1 3.9Å; W470-F498 HydrophobicContact CE3-CD1 3.9Å; W470-F498 AromaticContact CE3-CD2 3.83Å; W470-F498 HydrophobicContact CE3-CD2 3.83Å; W470-F498 HydrophobicContact CE3-CE2 4.49Å; W470-F498 AromaticContact CE3-CG 3.5Å; W470-F498 HydrophobicContact CE3-CG 3.5Å; W470-F498 HydrophobicContact CZ3-CB 3.72Å; W470-F498 HydrophobicContact CZ3-CD2 4.22Å; W470-F498 HydrophobicContact CZ3-CG 4.02Å
471	K	95.6	Very high	94.4	Very high	139 Å²	139	66.6 Å²	66.6	60%	0.604	32%	0.318	S	S	*	.	H	α-helix	trans	-55.3	-30.7	179.3	54.7	156.7	-175.3	99.3	0	114	L469	L469-K471 VanDerWaalsContact C-N 3.29Å; L469-K471 HydrophobicContact CB-CG 4.06Å; L469-K471 PolarHBondContact O-N 3.37Å
472	D	94	Very high	94.5	Very high	74 Å²	74	63.3 Å²	63.3	40%	0.396	30%	0.301	S	S	.	.	H	α-helix	trans	-85.7	-30.4	-173.7	-58.3	-33.8	0	0	0	110.4	L469 W470 H475	L469-D472 WeakPolarHBondContact CB-OD2 3.41Å; L469-D472 PolarHBondContact O-N 3.18Å; W470-D472 PolarHBondContact O-N 3.14Å; W470-D472 VanDerWaalsContact O-N 3.13Å; D472-H475 PolarHBondContact O-CE1 3.1Å; D472-H475 PolarHBondContact O-ND1 3.48Å
473	L	95.1	Very high	94.7	Very high	11 Å²	11	59 Å²	59	6%	0.058	28%	0.282	C	S	.	.	H	α-helix	trans	-95.4	-13.4	176.6	-67.7	172.7	0	0	0	114.6	L463 L464 L469 W470 H475 I476 I477 F498	L463-L473 HydrophobicContact CB-CD2 4Å; L464-L473 HydrophobicContact CB-CD1 3.95Å; L464-L473 HydrophobicContact CD1-CD1 4.35Å; L464-L473 HydrophobicContact CG-CD1 3.96Å; L469-L473 PolarHBondContact O-N 2.82Å; W470-L473 PolarHBondContact O-N 2.84Å; L473-H475 PolarHBondContact O-N 3.2Å; L473-H475 VanDerWaalsContact O-N 3.13Å; L473-I476 HydrophobicContact CD2-CD1 4.09Å; L473-I476 WeakPolarHBondContact O-CA 3.14Å; L473-I476 WeakPolarHBondContact O-CB 3.5Å; L473-I476 PolarHBondContact O-N 3.17Å; L473-I477 HydrophobicContact CB-CD1 3.93Å; L473-I477 HydrophobicContact CB-CG1 4.47Å; L473-I477 PolarHBondContact O-N 3.49Å; L473-F498 HydrophobicContact CD1-CE2 3.9Å; L473-F498 HydrophobicContact CD1-CZ 4.28Å
474	Y	95.3	Very high	94.8	Very high	101 Å²	101	59.8 Å²	59.8	40%	0.396	28%	0.283	S	S	.	.	H	α-helix	trans	-53.3	-36.8	-178.5	-179.1	-104.3	0	0	0	113.4	W470 I476 I477 N478 F483	W470-Y474 AromaticContact CE2-CD2 3.81Å; W470-Y474 AromaticContact CZ2-CD2 3.76Å; W470-Y474 HydrophobicContact CZ2-CD2 3.76Å; W470-Y474 HydrophobicContact CZ2-CE2 4.22Å; W470-Y474 AromaticContact NE1-CD2 3.61Å; W470-Y474 WeakPolarHBondContact O-CB 3.34Å; W470-Y474 PolarHBondContact O-N 3.42Å; Y474-I476 PolarHBondContact O-N 3.18Å; Y474-I477 PolarHBondContact O-N 3.45Å; Y474-N478 HydrophobicContact CD1-CB 4.5Å; Y474-N478 HydrophobicContact CD2-CB 4.47Å; Y474-N478 HydrophobicContact CE1-CB 4.17Å; Y474-N478 HydrophobicContact CE2-CB 4.17Å; Y474-N478 VanDerWaalsContact CZ-OD1 3.29Å; Y474-N478 WeakPolarHBondContact O-CB 3.49Å; Y474-N478 PolarHBondContact O-N 3.47Å; Y474-N478 PolarHBondContact OH-OD1 3.48Å; Y474-F483 HydrophobicContact CE2-CZ 4.03Å
475	H	94.9	Very high	94.8	Very high	116 Å²	116	65.1 Å²	65.1	54%	0.537	31%	0.307	S	S	.	.	H	α-helix	trans	-69.2	-10.5	179.1	79.9	-84.9	0	0	0	114.5	D472 L473 K479	D472-H475 PolarHBondContact O-CE1 3.1Å; D472-H475 PolarHBondContact O-ND1 3.48Å; L473-H475 PolarHBondContact O-N 3.2Å; L473-H475 VanDerWaalsContact O-N 3.13Å; H475-K479 WeakPolarHBondContact O-CD 3.37Å; H475-K479 WeakPolarHBondContact O-CE 3.43Å
476	I	95.3	Very high	94.8	Very high	51 Å²	51	64.5 Å²	64.5	26%	0.262	30%	0.302	S	S	.	.	H	α-helix	trans	-100.2	-52.4	172.2	-47.6	-176.3	0	0	0	108.7	L458 L463 L473 Y474 N478 K479	L458-I476 HydrophobicContact CD2-CG2 3.96Å; L463-I476 HydrophobicContact CD1-CD1 4Å; L473-I476 HydrophobicContact CD2-CD1 4.09Å; L473-I476 WeakPolarHBondContact O-CA 3.14Å; L473-I476 WeakPolarHBondContact O-CB 3.5Å; L473-I476 PolarHBondContact O-N 3.17Å; Y474-I476 PolarHBondContact O-N 3.18Å; I476-N478 VanDerWaalsContact C-N 3.32Å; I476-N478 PolarHBondContact O-N 3.1Å; I476-K479 WeakPolarHBondContact O-CB 3.49Å; I476-K479 PolarHBondContact O-N 3.3Å
477	I	96.1	Very high	94.7	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-57.9	-41.2	-178.3	-64.3	169.6	0	0	0	111.9	F451 L454 L458 W470 L473 Y474 K479 D480 F483 F498	F451-I477 HydrophobicContact CE2-CG2 3.73Å; F451-I477 HydrophobicContact CZ-CG2 4.06Å; L454-I477 HydrophobicContact CD2-CG2 4.42Å; L458-I477 HydrophobicContact CD1-CD1 4.32Å; L458-I477 HydrophobicContact CD1-CG1 3.77Å; W470-I477 HydrophobicContact CE3-CD1 4.14Å; W470-I477 HydrophobicContact CH2-CD1 4.39Å; W470-I477 HydrophobicContact CH2-CG2 4.03Å; W470-I477 HydrophobicContact CZ3-CD1 3.8Å; W470-I477 HydrophobicContact CZ3-CG2 4.4Å; L473-I477 HydrophobicContact CB-CD1 3.93Å; L473-I477 HydrophobicContact CB-CG1 4.47Å; L473-I477 PolarHBondContact O-N 3.49Å; Y474-I477 PolarHBondContact O-N 3.45Å; I477-K479 PolarHBondContact O-N 2.94Å; I477-D480 PolarHBondContact O-N 3.03Å; I477-D480 VanDerWaalsContact O-N 3.13Å; I477-F483 HydrophobicContact CG2-CB 3.99Å; I477-F483 HydrophobicContact CG2-CD2 3.6Å; I477-F483 HydrophobicContact CG2-CE2 4.26Å; I477-F483 HydrophobicContact CG2-CG 3.86Å; I477-F483 WeakPolarHBondContact O-CB 3.43Å; I477-F498 HydrophobicContact CD1-CD2 4.37Å
478	N	95.1	Very high	94.6	Very high	57 Å²	57	70 Å²	70	31%	0.305	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	5.9	177.3	-165.3	99.4	0	0	0	113.6	Y474 I476 F483 H484	Y474-N478 HydrophobicContact CD1-CB 4.5Å; Y474-N478 HydrophobicContact CD2-CB 4.47Å; Y474-N478 HydrophobicContact CE1-CB 4.17Å; Y474-N478 HydrophobicContact CE2-CB 4.17Å; Y474-N478 VanDerWaalsContact CZ-OD1 3.29Å; Y474-N478 WeakPolarHBondContact O-CB 3.49Å; Y474-N478 PolarHBondContact O-N 3.47Å; Y474-N478 PolarHBondContact OH-OD1 3.48Å; I476-N478 VanDerWaalsContact C-N 3.32Å; I476-N478 PolarHBondContact O-N 3.1Å; N478-F483 HydrophobicContact CB-CD1 4.49Å; N478-F483 HydrophobicContact CB-CE1 4.22Å; N478-F483 WeakPolarHBondContact OD1-CE1 3.48Å; N478-H484 PolarHBondContact O-CE1 2.98Å; N478-H484 VanDerWaalsContact O-CE1 3.28Å
479	K	94.8	Very high	94.4	Very high	167 Å²	167	70.9 Å²	70.9	73%	0.726	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-8	170.8	-63	175.9	-179.9	167.4	0	112.9	H475 I476 I477	H475-K479 WeakPolarHBondContact O-CD 3.37Å; H475-K479 WeakPolarHBondContact O-CE 3.43Å; I476-K479 WeakPolarHBondContact O-CB 3.49Å; I476-K479 PolarHBondContact O-N 3.3Å; I477-K479 PolarHBondContact O-N 2.94Å
480	D	96	Very high	94.1	Very high	35 Å²	35	76.9 Å²	76.9	19%	0.187	37%	0.367	C	S	.	.	S	Bend	trans	-93.9	138.8	-177.2	-165.9	-73.3	0	0	0	111.6	L454 I477 R482 F483 H484	L454-D480 HydrophobicContact CD1-CB 4.24Å; L454-D480 HydrophobicContact CD2-CB 3.76Å; I477-D480 PolarHBondContact O-N 3.03Å; I477-D480 VanDerWaalsContact O-N 3.13Å; D480-R482 VanDerWaalsContact C-N 3.27Å; D480-R482 PolarHBondContact O-N 2.65Å; D480-R482 WeakPolarHBondContact OD1-CA 3.48Å; D480-R482 WeakPolarHBondContact OD1-CB 3.48Å; D480-R482 VanDerWaalsContact OD1-CG 3.26Å; D480-R482 WeakPolarHBondContact OD1-CG 3.49Å; D480-R482 IonicContact OD1-CZ 2.7Å; D480-R482 PolarHBondContact OD1-N 2.89Å; D480-R482 IonicContact OD1-NE 3.32Å; D480-R482 PolarHBondContact OD1-NE 3.48Å; D480-R482 IonicContact OD1-NH2 2.67Å; D480-R482 IonicContact OD2-CZ 3.14Å; D480-R482 IonicContact OD2-NE 2.65Å; D480-R482 PolarHBondContact OD2-NE 3.37Å; D480-R482 IonicContact OD2-NH2 3.11Å; D480-R482 PolarHBondContact OD2-NH2 3.31Å; D480-F483 PolarHBondContact O-N 3.08Å; D480-H484 PolarHBondContact O-ND1 3.48Å
481	D	95.5	Very high	93.8	Very high	106 Å²	106	77.4 Å²	77.4	57%	0.567	39%	0.389	S	S	*	.	H	α-helix	trans	-63	-31.6	179.4	-116.4	52.6	0	0	0	112.9	F483 H484 K485	D481-F483 VanDerWaalsContact C-N 3.35Å; D481-H484 PolarHBondContact O-N 3.41Å; D481-K485 WeakPolarHBondContact O-CG 3.36Å; D481-K485 PolarHBondContact O-N 3.41Å; D481-K485 IonicContact OD2-NZ 2.67Å
482	R	95.6	Very high	93.6	Very high	49 Å²	49	73.3 Å²	73.3	19%	0.185	38%	0.378	C	S	.	.	H	α-helix	trans	-68.7	-34.4	-178.5	-59.8	168.8	-77.7	-173.9	-7.8	111.5	A450 E457 D480 M486	A450-R482 HydrophobicContact CB-CB 4.47Å; A450-R482 HydrophobicContact CB-CG 4.16Å; A450-R482 WeakPolarHBondContact O-CD 3.32Å; E457-R482 VanDerWaalsContact CD-NH1 3.3Å; E457-R482 IonicContact OE1-CZ 2.78Å; E457-R482 IonicContact OE1-NH1 3.51Å; E457-R482 PolarHBondContact OE1-NH1 3.32Å; E457-R482 IonicContact OE1-NH2 3.46Å; E457-R482 IonicContact OE2-CZ 3.18Å; E457-R482 IonicContact OE2-NH1 3.38Å; E457-R482 PolarHBondContact OE2-NH1 3.37Å; E457-R482 IonicContact OE2-NH2 2.71Å; E457-R482 PolarHBondContact OE2-NH2 3.46Å; D480-R482 VanDerWaalsContact C-N 3.27Å; D480-R482 PolarHBondContact O-N 2.65Å; D480-R482 WeakPolarHBondContact OD1-CA 3.48Å; D480-R482 WeakPolarHBondContact OD1-CB 3.48Å; D480-R482 VanDerWaalsContact OD1-CG 3.26Å; D480-R482 WeakPolarHBondContact OD1-CG 3.49Å; D480-R482 IonicContact OD1-CZ 2.7Å; D480-R482 PolarHBondContact OD1-N 2.89Å; D480-R482 IonicContact OD1-NE 3.32Å; D480-R482 PolarHBondContact OD1-NE 3.48Å; D480-R482 IonicContact OD1-NH2 2.67Å; D480-R482 IonicContact OD2-CZ 3.14Å; D480-R482 IonicContact OD2-NE 2.65Å; D480-R482 PolarHBondContact OD2-NE 3.37Å; D480-R482 IonicContact OD2-NH2 3.11Å; D480-R482 PolarHBondContact OD2-NH2 3.31Å; R482-M486 PolarHBondContact O-N 3.02Å
483	F	95.9	Very high	93.7	Very high	9 Å²	9	72.8 Å²	72.8	4%	0.039	38%	0.378	C	S	.	.	H	α-helix	trans	-62.4	-48.7	169.7	171.5	-104.1	0	0	0	111.1	F451 W470 Y474 I477 N478 D480 D481 K485 M486 L487 P494	F451-F483 HydrophobicContact CD2-CB 4.3Å; F451-F483 HydrophobicContact CE2-CB 4.04Å; F451-F483 AromaticContact CE2-CD2 3.85Å; F451-F483 HydrophobicContact CE2-CD2 3.85Å; F451-F483 HydrophobicContact CE2-CG 4.44Å; F451-F483 HydrophobicContact CZ-CD2 4.5Å; W470-F483 HydrophobicContact CH2-CD2 4.31Å; W470-F483 AromaticContact CH2-CE2 3.87Å; W470-F483 HydrophobicContact CH2-CE2 3.87Å; W470-F483 AromaticContact CZ2-CE2 3.97Å; W470-F483 HydrophobicContact CZ2-CE2 3.97Å; Y474-F483 HydrophobicContact CE2-CZ 4.03Å; I477-F483 HydrophobicContact CG2-CB 3.99Å; I477-F483 HydrophobicContact CG2-CD2 3.6Å; I477-F483 HydrophobicContact CG2-CE2 4.26Å; I477-F483 HydrophobicContact CG2-CG 3.86Å; I477-F483 WeakPolarHBondContact O-CB 3.43Å; N478-F483 HydrophobicContact CB-CD1 4.49Å; N478-F483 HydrophobicContact CB-CE1 4.22Å; N478-F483 WeakPolarHBondContact OD1-CE1 3.48Å; D480-F483 PolarHBondContact O-N 3.08Å; D481-F483 VanDerWaalsContact C-N 3.35Å; F483-K485 PolarHBondContact O-N 2.86Å; F483-M486 PolarHBondContact O-N 2.76Å; F483-L487 HydrophobicContact CE1-CD1 4.27Å; F483-L487 HydrophobicContact CE1-CD2 4.18Å; F483-L487 HydrophobicContact CE2-CD2 4.18Å; F483-L487 HydrophobicContact CZ-CD2 3.88Å; F483-L487 PolarHBondContact O-N 2.89Å; F483-P494 HydrophobicContact CD2-CB 3.79Å; F483-P494 HydrophobicContact CD2-CG 4Å; F483-P494 HydrophobicContact CE2-CB 3.66Å; F483-P494 HydrophobicContact CE2-CG 3.78Å
484	H	95.1	Very high	93.7	Very high	86 Å²	86	73 Å²	73	40%	0.398	38%	0.379	S	S	.	.	H	α-helix	trans	-62.5	-43.8	-178.7	-68.2	93.9	0	0	0	112.8	N478 D480 D481 M486 L487	N478-H484 PolarHBondContact O-CE1 2.98Å; N478-H484 VanDerWaalsContact O-CE1 3.28Å; D480-H484 PolarHBondContact O-ND1 3.48Å; D481-H484 PolarHBondContact O-N 3.41Å; H484-M486 PolarHBondContact O-N 3.03Å; H484-M486 VanDerWaalsContact O-N 3.17Å; H484-L487 WeakPolarHBondContact O-CB 3.39Å; H484-L487 PolarHBondContact O-N 3.32Å; H484-L487 VanDerWaalsContact O-N 3.1Å
485	K	93.7	Very high	93.7	Very high	113 Å²	113	71.3 Å²	71.3	49%	0.491	38%	0.377	S	S	.	.	H	α-helix	trans	-60.9	-22.4	177	-72.5	169.9	-175.1	174.2	0	113.6	D481 F483 Q489	D481-K485 WeakPolarHBondContact O-CG 3.36Å; D481-K485 PolarHBondContact O-N 3.41Å; D481-K485 IonicContact OD2-NZ 2.67Å; F483-K485 PolarHBondContact O-N 2.86Å; K485-Q489 PolarHBondContact O-NE2 3.18Å
486	M	93.4	Very high	93.7	Very high	5 Å²	5	67.7 Å²	67.7	3%	0.025	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-6.1	179.3	-157.2	171	65.3	0	0	114.1	R448 F451 R482 F483 H484 P494 L497	R448-M486 HydrophobicContact CB-SD 4.13Å; R448-M486 HydrophobicContact CG-CG 4.17Å; R448-M486 HydrophobicContact CG-SD 3.65Å; F451-M486 HydrophobicContact CB-CE 3.66Å; F451-M486 HydrophobicContact CB-SD 3.57Å; F451-M486 VanDerWaalsContact CB-SD 3.57Å; F451-M486 HydrophobicContact CD1-CE 3.45Å; F451-M486 VanDerWaalsContact CD1-CE 3.45Å; F451-M486 HydrophobicContact CD1-SD 4.31Å; F451-M486 HydrophobicContact CD2-CE 3.67Å; F451-M486 HydrophobicContact CE1-CE 3.94Å; F451-M486 HydrophobicContact CE2-CE 4.16Å; F451-M486 HydrophobicContact CG-CE 3.28Å; F451-M486 HydrophobicContact CG-SD 3.93Å; F451-M486 HydrophobicContact CZ-CE 4.28Å; R482-M486 PolarHBondContact O-N 3.02Å; F483-M486 PolarHBondContact O-N 2.76Å; H484-M486 PolarHBondContact O-N 3.03Å; H484-M486 VanDerWaalsContact O-N 3.17Å; M486-P494 HydrophobicContact CE-CB 3.5Å; M486-P494 HydrophobicContact CE-CG 3.46Å; M486-P494 VanDerWaalsContact CE-CG 3.46Å; M486-L497 HydrophobicContact CE-CD1 3.89Å; M486-L497 HydrophobicContact SD-CD1 3.62Å
487	L	92.2	Very high	93.7	Very high	82 Å²	82	66.1 Å²	66.1	43%	0.429	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	151.8	173.4	-58.4	179.2	0	0	0	111	F483 H484 Q489 P494	F483-L487 HydrophobicContact CE1-CD1 4.27Å; F483-L487 HydrophobicContact CE1-CD2 4.18Å; F483-L487 HydrophobicContact CE2-CD2 4.18Å; F483-L487 HydrophobicContact CZ-CD2 3.88Å; F483-L487 PolarHBondContact O-N 2.89Å; H484-L487 WeakPolarHBondContact O-CB 3.39Å; H484-L487 PolarHBondContact O-N 3.32Å; H484-L487 VanDerWaalsContact O-N 3.1Å; L487-Q489 PolarHBondContact O-N 2.95Å; L487-P494 HydrophobicContact CD2-CG 4.26Å
488	A	87.3	Confident	93.8	Very high	114 Å²	114	66.5 Å²	66.5	94%	0.942	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	3.7	-177.8	0	0	0	0	0	117.2
489	Q	90.6	Very high	93.8	Very high	43 Å²	43	68.5 Å²	68.5	20%	0.201	36%	0.361	C	S	.	.			trans	-71.8	158.6	172.2	-58.7	-169.3	6.1	0	0	112.4	Q444 N447 K485 L487	Q444-Q489 HydrophobicContact CG-CB 4.34Å; Q444-Q489 HydrophobicContact CG-CG 3.99Å; Q444-Q489 PolarHBondContact O-OE1 3.26Å; N447-Q489 PolarHBondContact ND2-NE2 3.03Å; K485-Q489 PolarHBondContact O-NE2 3.18Å; L487-Q489 PolarHBondContact O-N 2.95Å
490	R	88.4	Confident	93.9	Very high	204 Å²	204	66.1 Å²	66.1	77%	0.77	35%	0.351	S	S	*	.	S	Bend	trans	-91.1	148.5	171.1	-65.7	-172.9	179.9	-168	1.3	110.8	R448	R448-R490 PolarHBondContact NH1-O 3.13Å
491	G	89.7	Confident	94	Very high	64 Å²	64	65.7 Å²	65.7	66%	0.66	35%	0.347	S	S	*	.	S	Bend	trans	103.5	-152.9	-176.5	0	0	0	0	0	112.5	T493	G491-T493 PolarHBondContact O-N 2.95Å
492	S	92.3	Very high	94	Very high	52 Å²	52	61 Å²	61	36%	0.364	32%	0.322	S	S	.	.	S	Bend	trans	-56.8	124.8	-179.4	-51.9	0	0	0	0	112.3
493	T	94.8	Very high	94	Very high	64 Å²	64	64.6 Å²	64.6	39%	0.393	34%	0.341	S	S	.	.			trans	-77.6	166.6	178	76.7	0	0	0	0	111.3	G491 L495 D496 L497	G491-T493 PolarHBondContact O-N 2.95Å; T493-L495 PolarHBondContact O-N 3.24Å; T493-L495 PolarHBondContact OG1-N 3.18Å; T493-D496 VanDerWaalsContact CB-OD2 3.32Å; T493-D496 WeakPolarHBondContact CB-OD2 3.27Å; T493-D496 WeakPolarHBondContact CG2-OD2 3.13Å; T493-D496 PolarHBondContact N-OD2 2.87Å; T493-D496 VanDerWaalsContact N-OD2 3.16Å; T493-D496 PolarHBondContact O-N 3.34Å; T493-D496 VanDerWaalsContact OG1-CG 3.26Å; T493-D496 PolarHBondContact OG1-N 2.95Å; T493-D496 PolarHBondContact OG1-OD2 3.35Å; T493-L497 PolarHBondContact O-N 3.39Å
494	P	95.7	Very high	94	Very high	14 Å²	14	66.4 Å²	66.4	9%	0.091	36%	0.358	C	S	.	.	H	α-helix	trans	-54.7	-35.2	174.3	-20.4	26.7	0	0	0	113.9	F451 W470 F483 M486 L487 D496 F498	F451-P494 HydrophobicContact CE1-CB 4.25Å; F451-P494 WeakPolarHBondContact CE1-O 3.47Å; F451-P494 HydrophobicContact CE2-CB 4.2Å; F451-P494 HydrophobicContact CZ-CB 3.86Å; W470-P494 HydrophobicContact CH2-CB 3.77Å; W470-P494 HydrophobicContact CZ2-CB 4.49Å; F483-P494 HydrophobicContact CD2-CB 3.79Å; F483-P494 HydrophobicContact CD2-CG 4Å; F483-P494 HydrophobicContact CE2-CB 3.66Å; F483-P494 HydrophobicContact CE2-CG 3.78Å; M486-P494 HydrophobicContact CE-CB 3.5Å; M486-P494 HydrophobicContact CE-CG 3.46Å; M486-P494 VanDerWaalsContact CE-CG 3.46Å; L487-P494 HydrophobicContact CD2-CG 4.26Å; P494-D496 VanDerWaalsContact C-N 3.34Å; P494-F498 WeakPolarHBondContact O-CB 3.24Å; P494-F498 PolarHBondContact O-N 2.79Å; P494-F498 VanDerWaalsContact O-N 3.1Å
495	L	94.6	Very high	94	Very high	67 Å²	67	62.4 Å²	62.4	35%	0.351	34%	0.339	S	S	.	.	H	α-helix	trans	-70.3	-30.5	177	175.6	61.1	0	0	0	112	W470 T493 K499	W470-L495 HydrophobicContact CB-CD1 3.79Å; W470-L495 HydrophobicContact CD2-CD1 3.77Å; W470-L495 HydrophobicContact CE3-CD1 4.24Å; W470-L495 HydrophobicContact CG-CD1 3.55Å; T493-L495 PolarHBondContact O-N 3.24Å; T493-L495 PolarHBondContact OG1-N 3.18Å; L495-K499 VanDerWaalsContact O-CG 3.26Å; L495-K499 WeakPolarHBondContact O-CG 3.02Å; L495-K499 PolarHBondContact O-N 3.09Å
496	D	95.8	Very high	94	Very high	39 Å²	39	62.6 Å²	62.6	21%	0.209	34%	0.337	C	S	.	.	H	α-helix	trans	-79.3	-43.6	179.6	-55.3	-47.7	0	0	0	111.5	T493 P494 F498 K499 F500	T493-D496 VanDerWaalsContact CB-OD2 3.32Å; T493-D496 WeakPolarHBondContact CB-OD2 3.27Å; T493-D496 WeakPolarHBondContact CG2-OD2 3.13Å; T493-D496 PolarHBondContact N-OD2 2.87Å; T493-D496 VanDerWaalsContact N-OD2 3.16Å; T493-D496 PolarHBondContact O-N 3.34Å; T493-D496 VanDerWaalsContact OG1-CG 3.26Å; T493-D496 PolarHBondContact OG1-N 2.95Å; T493-D496 PolarHBondContact OG1-OD2 3.35Å; P494-D496 VanDerWaalsContact C-N 3.34Å; D496-F498 VanDerWaalsContact C-N 3.25Å; D496-F498 PolarHBondContact O-N 3.27Å; D496-K499 WeakPolarHBondContact O-CB 2.97Å; D496-K499 PolarHBondContact O-N 3.01Å; D496-K499 VanDerWaalsContact O-N 3.09Å; D496-K499 IonicContact OD1-NZ 3.18Å; D496-K499 PolarHBondContact OD1-NZ 3.45Å; D496-F500 HydrophobicContact CB-CE2 3.99Å; D496-F500 HydrophobicContact CB-CZ 4.27Å; D496-F500 WeakPolarHBondContact O-CD2 3.27Å; D496-F500 WeakPolarHBondContact O-CG 3.4Å; D496-F500 PolarHBondContact O-N 2.56Å
497	L	96.1	Very high	94	Very high	18 Å²	18	65.9 Å²	65.9	9%	0.094	37%	0.365	C	S	.	.	H	α-helix	trans	-57.3	-41	170.8	-63.3	-174.7	0	0	0	111.4	R448 F451 I452 M486 T493 F500 Y501	R448-L497 HydrophobicContact CB-CD1 3.98Å; R448-L497 HydrophobicContact CG-CD1 4.08Å; F451-L497 HydrophobicContact CD1-CB 4.01Å; F451-L497 HydrophobicContact CD1-CD1 3.94Å; F451-L497 HydrophobicContact CE1-CB 4.11Å; I452-L497 HydrophobicContact CG1-CD1 4.42Å; M486-L497 HydrophobicContact CE-CD1 3.89Å; M486-L497 HydrophobicContact SD-CD1 3.62Å; T493-L497 PolarHBondContact O-N 3.39Å; L497-F500 HydrophobicContact CD2-CD2 4.4Å; L497-F500 PolarHBondContact O-N 3.17Å; L497-Y501 WeakPolarHBondContact O-CB 3.5Å; L497-Y501 PolarHBondContact O-N 3.1Å
498	F	97	Very high	94.1	Very high	9 Å²	9	67.4 Å²	67.4	4%	0.039	37%	0.365	C	S	.	.	H	α-helix	trans	-62.4	-43.7	172.8	179.1	-88.7	0	0	0	113.4	L455 L464 W470 L473 I477 P494 D496 Y501 V502	L455-F498 HydrophobicContact CD1-CB 4.46Å; L455-F498 HydrophobicContact CD2-CD2 4.02Å; L464-F498 HydrophobicContact CD1-CD2 4.06Å; L464-F498 HydrophobicContact CD1-CE2 3.75Å; L464-F498 HydrophobicContact CG-CE2 4.14Å; W470-F498 HydrophobicContact CB-CD1 4.07Å; W470-F498 HydrophobicContact CB-CE1 3.95Å; W470-F498 HydrophobicContact CE3-CB 3.62Å; W470-F498 AromaticContact CE3-CD1 3.9Å; W470-F498 HydrophobicContact CE3-CD1 3.9Å; W470-F498 AromaticContact CE3-CD2 3.83Å; W470-F498 HydrophobicContact CE3-CD2 3.83Å; W470-F498 HydrophobicContact CE3-CE2 4.49Å; W470-F498 AromaticContact CE3-CG 3.5Å; W470-F498 HydrophobicContact CE3-CG 3.5Å; W470-F498 HydrophobicContact CZ3-CB 3.72Å; W470-F498 HydrophobicContact CZ3-CD2 4.22Å; W470-F498 HydrophobicContact CZ3-CG 4.02Å; L473-F498 HydrophobicContact CD1-CE2 3.9Å; L473-F498 HydrophobicContact CD1-CZ 4.28Å; I477-F498 HydrophobicContact CD1-CD2 4.37Å; P494-F498 WeakPolarHBondContact O-CB 3.24Å; P494-F498 PolarHBondContact O-N 2.79Å; P494-F498 VanDerWaalsContact O-N 3.1Å; D496-F498 VanDerWaalsContact C-N 3.25Å; D496-F498 PolarHBondContact O-N 3.27Å; F498-Y501 PolarHBondContact O-N 3.17Å; F498-V502 HydrophobicContact CD1-CG2 4.22Å; F498-V502 HydrophobicContact CE1-CG2 3.75Å; F498-V502 HydrophobicContact CE2-CG2 4.12Å; F498-V502 HydrophobicContact CZ-CG2 3.69Å; F498-V502 WeakPolarHBondContact O-CG2 3.38Å; F498-V502 PolarHBondContact O-N 3.28Å
499	K	96.4	Very high	94.3	Very high	99 Å²	99	64 Å²	64	43%	0.43	33%	0.329	S	S	.	.	H	α-helix	trans	-58.9	-49.6	175.1	-73.5	164.5	-163.8	152.8	0	110.8	L495 D496 Y501 V502 E503	L495-K499 VanDerWaalsContact O-CG 3.26Å; L495-K499 WeakPolarHBondContact O-CG 3.02Å; L495-K499 PolarHBondContact O-N 3.09Å; D496-K499 WeakPolarHBondContact O-CB 2.97Å; D496-K499 PolarHBondContact O-N 3.01Å; D496-K499 VanDerWaalsContact O-N 3.09Å; D496-K499 IonicContact OD1-NZ 3.18Å; D496-K499 PolarHBondContact OD1-NZ 3.45Å; K499-Y501 VanDerWaalsContact C-N 3.31Å; K499-Y501 PolarHBondContact O-N 2.63Å; K499-V502 PolarHBondContact O-N 2.98Å; K499-E503 VanDerWaalsContact O-CB 3.27Å; K499-E503 WeakPolarHBondContact O-CB 3.35Å; K499-E503 PolarHBondContact O-N 2.96Å
500	F	96.7	Very high	94.5	Very high	116 Å²	116	66.4 Å²	66.4	51%	0.509	35%	0.348	S	S	.	.	H	α-helix	trans	-62	-39.6	-179.2	-57.7	-38.3	0	0	0	111.6	D496 L497 E503 A504	D496-F500 HydrophobicContact CB-CE2 3.99Å; D496-F500 HydrophobicContact CB-CZ 4.27Å; D496-F500 WeakPolarHBondContact O-CD2 3.27Å; D496-F500 WeakPolarHBondContact O-CG 3.4Å; D496-F500 PolarHBondContact O-N 2.56Å; L497-F500 HydrophobicContact CD2-CD2 4.4Å; L497-F500 PolarHBondContact O-N 3.17Å; F500-E503 PolarHBondContact O-N 2.91Å; F500-A504 WeakPolarHBondContact O-CB 3.41Å; F500-A504 PolarHBondContact O-N 3.36Å
501	Y	96.9	Very high	94.7	Very high	27 Å²	27	59.6 Å²	59.6	11%	0.106	34%	0.335	C	S	.	.	H	α-helix	trans	-63.1	-50.4	175.3	-164.1	-75.7	0	0	0	112	L455 D456 H459 L464 L497 F498 K499 E503 A504 L505	L455-Y501 HydrophobicContact CB-CD1 4.33Å; L455-Y501 HydrophobicContact CB-CD2 3.65Å; L455-Y501 HydrophobicContact CB-CE1 4.49Å; L455-Y501 HydrophobicContact CB-CE2 3.83Å; L455-Y501 HydrophobicContact CB-CG 3.93Å; L455-Y501 HydrophobicContact CD1-CD2 3.95Å; L455-Y501 HydrophobicContact CD1-CG 3.87Å; L455-Y501 HydrophobicContact CG-CD2 4.47Å; D456-Y501 WeakPolarHBondContact CA-OH 3.13Å; D456-Y501 VanDerWaalsContact OD1-CE2 3.24Å; D456-Y501 WeakPolarHBondContact OD1-CE2 3.43Å; D456-Y501 VanDerWaalsContact OD1-CZ 3.3Å; D456-Y501 PolarHBondContact OD1-OH 2.91Å; H459-Y501 HydrophobicContact CB-CE1 4.16Å; L464-Y501 HydrophobicContact CD1-CD1 4.36Å; L464-Y501 HydrophobicContact CD2-CD1 3.62Å; L464-Y501 HydrophobicContact CD2-CE1 3.72Å; L497-Y501 WeakPolarHBondContact O-CB 3.5Å; L497-Y501 PolarHBondContact O-N 3.1Å; F498-Y501 PolarHBondContact O-N 3.17Å; K499-Y501 VanDerWaalsContact C-N 3.31Å; K499-Y501 PolarHBondContact O-N 2.63Å; Y501-E503 VanDerWaalsContact C-N 3.31Å; Y501-E503 PolarHBondContact O-N 3.13Å; Y501-A504 WeakPolarHBondContact O-CB 3.43Å; Y501-A504 PolarHBondContact O-N 3.13Å; Y501-L505 HydrophobicContact CD1-CD1 4.17Å; Y501-L505 HydrophobicContact CD1-CG 4.22Å; Y501-L505 HydrophobicContact CE1-CD1 3.91Å; Y501-L505 HydrophobicContact CE1-CD2 4.27Å; Y501-L505 HydrophobicContact CE1-CG 4.02Å; Y501-L505 PolarHBondContact O-N 2.85Å
502	V	95.8	Very high	94.9	Very high	6 Å²	6	57.1 Å²	57.1	4%	0.036	31%	0.307	C	S	.	.	H	α-helix	trans	-65.5	-34.1	178.3	171.8	0	0	0	0	111.8	L464 S466 F498 K499 L505 R506	L464-V502 HydrophobicContact CD2-CG2 4.08Å; S466-V502 WeakPolarHBondContact O-CG1 3.37Å; F498-V502 HydrophobicContact CD1-CG2 4.22Å; F498-V502 HydrophobicContact CE1-CG2 3.75Å; F498-V502 HydrophobicContact CE2-CG2 4.12Å; F498-V502 HydrophobicContact CZ-CG2 3.69Å; F498-V502 WeakPolarHBondContact O-CG2 3.38Å; F498-V502 PolarHBondContact O-N 3.28Å; K499-V502 PolarHBondContact O-N 2.98Å; V502-L505 PolarHBondContact O-N 3.2Å; V502-R506 WeakPolarHBondContact O-CG 3.38Å; V502-R506 PolarHBondContact O-N 2.84Å
503	E	95.5	Very high	95	Very high	126 Å²	126	56.5 Å²	56.5	59%	0.589	30%	0.298	S	S	*	.	H	α-helix	trans	-68	-39.9	172.9	-175.5	161.7	-158.7	0	0	112	K499 F500 Y501 L505 R506 A507	K499-E503 VanDerWaalsContact O-CB 3.27Å; K499-E503 WeakPolarHBondContact O-CB 3.35Å; K499-E503 PolarHBondContact O-N 2.96Å; F500-E503 PolarHBondContact O-N 2.91Å; Y501-E503 VanDerWaalsContact C-N 3.31Å; Y501-E503 PolarHBondContact O-N 3.13Å; E503-L505 PolarHBondContact O-N 3.2Å; E503-R506 CarbonylContact O-C 3.57Å; E503-R506 WeakPolarHBondContact O-CB 3.46Å; E503-R506 PolarHBondContact O-N 3.38Å; E503-A507 WeakPolarHBondContact O-CB 3.46Å; E503-A507 PolarHBondContact O-N 2.76Å
504	A	95.5	Very high	94.9	Very high	47 Å²	47	59 Å²	59	39%	0.388	30%	0.303	S	S	.	.	H	α-helix	trans	-62.4	-39.7	173.3	0	0	0	0	0	112.2	F500 Y501 A507 R508	F500-A504 WeakPolarHBondContact O-CB 3.41Å; F500-A504 PolarHBondContact O-N 3.36Å; Y501-A504 WeakPolarHBondContact O-CB 3.43Å; Y501-A504 PolarHBondContact O-N 3.13Å; A504-A507 PolarHBondContact O-N 3.11Å; A504-R508 WeakPolarHBondContact O-CG 3.26Å; A504-R508 PolarHBondContact O-N 3.05Å
505	L	94.8	Very high	94.7	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-63.3	-43	171.4	-66	-176.3	0	0	0	112	L464 Y501 V502 E503 A507 R508 N553	L464-L505 HydrophobicContact CD2-CD1 3.7Å; Y501-L505 HydrophobicContact CD1-CD1 4.17Å; Y501-L505 HydrophobicContact CD1-CG 4.22Å; Y501-L505 HydrophobicContact CE1-CD1 3.91Å; Y501-L505 HydrophobicContact CE1-CD2 4.27Å; Y501-L505 HydrophobicContact CE1-CG 4.02Å; Y501-L505 PolarHBondContact O-N 2.85Å; V502-L505 PolarHBondContact O-N 3.2Å; E503-L505 PolarHBondContact O-N 3.2Å; L505-A507 VanDerWaalsContact C-N 3.31Å; L505-A507 PolarHBondContact O-N 2.98Å; L505-R508 PolarHBondContact O-N 3.22Å; L505-N553 PolarHBondContact O-ND2 3.37Å
506	R	93.5	Very high	94.6	Very high	117 Å²	117	57.9 Å²	57.9	44%	0.442	30%	0.296	S	S	.	.	H	α-helix	trans	-63.8	-34.1	175.7	-72.6	173.5	-175.2	163.4	10.1	112.7	S466 V502 E503 R508 F509	S466-R506 VanDerWaalsContact O-CZ 3.24Å; S466-R506 PolarHBondContact O-NE 2.86Å; S466-R506 PolarHBondContact O-NH2 2.78Å; V502-R506 WeakPolarHBondContact O-CG 3.38Å; V502-R506 PolarHBondContact O-N 2.84Å; E503-R506 CarbonylContact O-C 3.57Å; E503-R506 WeakPolarHBondContact O-CB 3.46Å; E503-R506 PolarHBondContact O-N 3.38Å; R506-R508 PolarHBondContact O-N 3.39Å; R506-F509 WeakPolarHBondContact O-CB 3.44Å; R506-F509 PolarHBondContact O-N 3.26Å
507	A	94.7	Very high	94.3	Very high	74 Å²	74	60.6 Å²	60.6	61%	0.612	31%	0.306	S	S	*	.	H	α-helix	trans	-64.8	-27.6	178.3	0	0	0	0	0	112.7	E503 A504 L505 F509 P510	E503-A507 WeakPolarHBondContact O-CB 3.46Å; E503-A507 PolarHBondContact O-N 2.76Å; A504-A507 PolarHBondContact O-N 3.11Å; L505-A507 VanDerWaalsContact C-N 3.31Å; L505-A507 PolarHBondContact O-N 2.98Å; A507-F509 VanDerWaalsContact C-N 3.33Å; A507-P510 WeakPolarHBondContact O-CD 3.22Å
508	R	93.1	Very high	94.1	Very high	115 Å²	115	63.5 Å²	63.5	43%	0.434	32%	0.319	S	S	.	.	H	α-helix	trans	-74.2	-20.9	175.9	-58.5	171.3	-170.1	179.8	3.4	113.5	A504 L505 R506 P510 A511 E512	A504-R508 WeakPolarHBondContact O-CG 3.26Å; A504-R508 PolarHBondContact O-N 3.05Å; L505-R508 PolarHBondContact O-N 3.22Å; R506-R508 PolarHBondContact O-N 3.39Å; R508-P510 WeakPolarHBondContact O-CD 3.46Å; R508-P510 VanDerWaalsContact O-N 3.11Å; R508-A511 PolarHBondContact O-N 2.96Å; R508-E512 HydrophobicContact CB-CG 4.26Å; R508-E512 WeakPolarHBondContact CB-OE1 3.39Å; R508-E512 WeakPolarHBondContact CD-OE1 3.47Å; R508-E512 PolarHBondContact O-N 3.46Å; R508-E512 VanDerWaalsContact O-N 3.09Å
509	F	92.9	Very high	93.8	Very high	41 Å²	41	63 Å²	63	18%	0.18	32%	0.317	C	S	.	.	H	α-helix	trans	-44.8	-44.5	-176.2	178.9	-122.3	0	0	0	115.4	R506 A507 A511 K513 N553 M556	R506-F509 WeakPolarHBondContact O-CB 3.44Å; R506-F509 PolarHBondContact O-N 3.26Å; A507-F509 VanDerWaalsContact C-N 3.33Å; F509-A511 VanDerWaalsContact C-N 3.3Å; F509-A511 PolarHBondContact O-N 3.28Å; F509-K513 HydrophobicContact CD1-CD 4.5Å; F509-K513 HydrophobicContact CD2-CB 4.39Å; F509-K513 HydrophobicContact CD2-CD 4.29Å; F509-K513 HydrophobicContact CE1-CD 3.87Å; F509-K513 HydrophobicContact CE2-CB 4.43Å; F509-K513 HydrophobicContact CE2-CD 3.61Å; F509-K513 HydrophobicContact CZ-CD 3.42Å; F509-K513 VanDerWaalsContact CZ-CD 3.42Å; F509-K513 WeakPolarHBondContact O-CB 3.38Å; F509-K513 PolarHBondContact O-N 2.94Å; F509-N553 WeakPolarHBondContact CB-OD1 3.49Å; F509-N553 HydrophobicContact CD2-CB 3.98Å; F509-N553 WeakPolarHBondContact CD2-OD1 3.39Å; F509-M556 HydrophobicContact CD1-CE 4.31Å; F509-M556 HydrophobicContact CD2-CB 4.27Å; F509-M556 HydrophobicContact CE1-CE 3.94Å; F509-M556 HydrophobicContact CE2-CB 3.38Å; F509-M556 HydrophobicContact CE2-CE 4.15Å; F509-M556 HydrophobicContact CZ-CB 3.67Å; F509-M556 HydrophobicContact CZ-CE 3.8Å
510	P	93.8	Very high	93.5	Very high	94 Å²	94	59.1 Å²	59.1	61%	0.61	30%	0.301	S	S	*	.	H	α-helix	trans	-65.6	-31.8	-178.2	-20.5	34.9	0	0	0	113.5	A507 R508 K514	A507-P510 WeakPolarHBondContact O-CD 3.22Å; R508-P510 WeakPolarHBondContact O-CD 3.46Å; R508-P510 VanDerWaalsContact O-N 3.11Å; P510-K514 PolarHBondContact O-N 3.03Å
511	A	93.8	Very high	93.1	Very high	61 Å²	61	62 Å²	62	50%	0.504	31%	0.313	S	S	.	.	H	α-helix	trans	-79.5	-49.3	178.1	0	0	0	0	0	110.9	R508 F509 K513 K514 I515	R508-A511 PolarHBondContact O-N 2.96Å; F509-A511 VanDerWaalsContact C-N 3.3Å; F509-A511 PolarHBondContact O-N 3.28Å; A511-K513 VanDerWaalsContact C-N 3.31Å; A511-K513 PolarHBondContact O-N 3.22Å; A511-K514 WeakPolarHBondContact O-CA 3.4Å; A511-K514 VanDerWaalsContact O-CB 3.27Å; A511-K514 WeakPolarHBondContact O-CB 3.34Å; A511-K514 PolarHBondContact O-N 3.18Å; A511-I515 PolarHBondContact O-N 3.41Å; A511-I515 VanDerWaalsContact O-N 3.1Å
512	E	93.9	Very high	92.7	Very high	13 Å²	13	68.9 Å²	68.9	6%	0.061	34%	0.34	C	S	.	.	H	α-helix	trans	-59.2	-42.4	176.5	-67.6	176.3	-155.5	0	0	111.1	R508 K514 I515 I516 I549 D550 N553	R508-E512 HydrophobicContact CB-CG 4.26Å; R508-E512 WeakPolarHBondContact CB-OE1 3.39Å; R508-E512 WeakPolarHBondContact CD-OE1 3.47Å; R508-E512 PolarHBondContact O-N 3.46Å; R508-E512 VanDerWaalsContact O-N 3.09Å; E512-K514 PolarHBondContact O-N 2.96Å; E512-K514 VanDerWaalsContact O-N 3.17Å; E512-I515 PolarHBondContact O-N 3.33Å; E512-I515 VanDerWaalsContact O-N 3.09Å; E512-I516 VanDerWaalsContact O-CG1 3.3Å; E512-I516 WeakPolarHBondContact O-CG1 3.4Å; E512-I516 PolarHBondContact O-N 3.33Å; E512-I549 HydrophobicContact CB-CG1 4.46Å; E512-I549 HydrophobicContact CB-CG2 4.19Å; E512-I549 HydrophobicContact CG-CG1 4.23Å; E512-I549 HydrophobicContact CG-CG2 4.37Å; E512-D550 PolarHBondContact OE2-N 3.07Å; E512-N553 WeakPolarHBondContact OE2-CB 3.32Å; E512-N553 PolarHBondContact OE2-ND2 2.93Å
513	K	93.5	Very high	92.1	Very high	38 Å²	38	71.2 Å²	71.2	17%	0.165	35%	0.352	C	S	.	.	H	α-helix	trans	-67.6	-9.3	173.4	-172	159.4	-167.1	156.2	0	114.6	F509 A511 K517 M556 T557	F509-K513 HydrophobicContact CD1-CD 4.5Å; F509-K513 HydrophobicContact CD2-CB 4.39Å; F509-K513 HydrophobicContact CD2-CD 4.29Å; F509-K513 HydrophobicContact CE1-CD 3.87Å; F509-K513 HydrophobicContact CE2-CB 4.43Å; F509-K513 HydrophobicContact CE2-CD 3.61Å; F509-K513 HydrophobicContact CZ-CD 3.42Å; F509-K513 VanDerWaalsContact CZ-CD 3.42Å; F509-K513 WeakPolarHBondContact O-CB 3.38Å; F509-K513 PolarHBondContact O-N 2.94Å; A511-K513 VanDerWaalsContact C-N 3.31Å; A511-K513 PolarHBondContact O-N 3.22Å; K513-K517 WeakPolarHBondContact O-CD 3.23Å; K513-K517 WeakPolarHBondContact O-CE 3.4Å; K513-K517 WeakPolarHBondContact O-CG 3.4Å; K513-K517 PolarHBondContact O-NZ 2.97Å; K513-M556 PolarHBondContact NZ-O 2.93Å; K513-T557 HydrophobicContact CD-CG2 4.37Å; K513-T557 WeakPolarHBondContact CD-OG1 3.35Å; K513-T557 HydrophobicContact CG-CG2 3.92Å; K513-T557 WeakPolarHBondContact CG-OG1 3.47Å
514	K	92.9	Very high	91.3	Very high	118 Å²	118	70.3 Å²	70.3	51%	0.513	36%	0.359	S	S	.	.	H	α-helix	trans	-85.3	-49.5	165.9	-178.1	-178.8	173.3	-72.1	0	109.5	P510 A511 E512 I516 K517 E518	P510-K514 PolarHBondContact O-N 3.03Å; A511-K514 WeakPolarHBondContact O-CA 3.4Å; A511-K514 VanDerWaalsContact O-CB 3.27Å; A511-K514 WeakPolarHBondContact O-CB 3.34Å; A511-K514 PolarHBondContact O-N 3.18Å; E512-K514 PolarHBondContact O-N 2.96Å; E512-K514 VanDerWaalsContact O-N 3.17Å; K514-I516 PolarHBondContact O-N 3.45Å; K514-K517 PolarHBondContact O-N 3.42Å; K514-K517 VanDerWaalsContact O-N 3.15Å; K514-E518 WeakPolarHBondContact CE-OE1 3.12Å; K514-E518 WeakPolarHBondContact CG-OE1 3.08Å; K514-E518 VanDerWaalsContact NZ-CD 3.3Å; K514-E518 IonicContact NZ-OE1 2.79Å; K514-E518 PolarHBondContact NZ-OE1 3.33Å; K514-E518 IonicContact NZ-OE2 2.68Å; K514-E518 PolarHBondContact NZ-OE2 2.7Å; K514-E518 PolarHBondContact O-N 3.45Å
515	I	92.2	Very high	90.1	Very high	57 Å²	57	70.3 Å²	70.3	29%	0.292	35%	0.354	S	S	.	.	H	α-helix	trans	-56.6	-50.4	178.2	-59.9	168.1	0	0	0	110.9	A511 E512 K517 E518 I519 R545 I549	A511-I515 PolarHBondContact O-N 3.41Å; A511-I515 VanDerWaalsContact O-N 3.1Å; E512-I515 PolarHBondContact O-N 3.33Å; E512-I515 VanDerWaalsContact O-N 3.09Å; I515-K517 VanDerWaalsContact C-N 3.26Å; I515-K517 PolarHBondContact O-N 3.05Å; I515-E518 CarbonylContact O-C 3.6Å; I515-E518 WeakPolarHBondContact O-CA 3.28Å; I515-E518 WeakPolarHBondContact O-CB 3.47Å; I515-E518 PolarHBondContact O-N 2.9Å; I515-I519 HydrophobicContact CG2-CD1 3.93Å; I515-I519 HydrophobicContact CG2-CG1 4.37Å; I515-I519 WeakPolarHBondContact O-CG1 3.47Å; I515-I519 PolarHBondContact O-N 2.95Å; I515-R545 HydrophobicContact CG2-CB 3.86Å; I515-R545 WeakPolarHBondContact CG2-O 3.45Å; I515-I549 HydrophobicContact CB-CD1 4.23Å; I515-I549 HydrophobicContact CG2-CD1 3.97Å
516	I	91.7	Very high	89	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-52.8	-41.9	177.4	-67.8	164.7	0	0	0	111.9	E512 K514 I519 L520 F536 I540 I549 M554 T557	E512-I516 VanDerWaalsContact O-CG1 3.3Å; E512-I516 WeakPolarHBondContact O-CG1 3.4Å; E512-I516 PolarHBondContact O-N 3.33Å; K514-I516 PolarHBondContact O-N 3.45Å; I516-I519 PolarHBondContact O-N 3.06Å; I516-L520 HydrophobicContact CG2-CD1 3.99Å; I516-L520 WeakPolarHBondContact O-CD1 3.29Å; I516-L520 VanDerWaalsContact O-CG 3.25Å; I516-L520 WeakPolarHBondContact O-CG 3.45Å; I516-L520 PolarHBondContact O-N 3.49Å; I516-F536 HydrophobicContact CG2-CE2 4.34Å; I516-F536 HydrophobicContact CG2-CZ 3.79Å; I516-I540 HydrophobicContact CB-CD1 4.47Å; I516-I540 HydrophobicContact CG1-CG2 4.48Å; I516-I540 HydrophobicContact CG2-CD1 3.78Å; I516-I540 HydrophobicContact CG2-CG1 4.22Å; I516-I549 HydrophobicContact CD1-CG2 4.11Å; I516-I549 HydrophobicContact CG1-CD1 3.95Å; I516-I549 HydrophobicContact CG1-CG2 4.49Å; I516-M554 HydrophobicContact CD1-CG 4.36Å; I516-T557 HydrophobicContact CB-CG2 4.1Å; I516-T557 HydrophobicContact CD1-CG2 4.08Å; I516-T557 HydrophobicContact CG2-CG2 3.53Å
517	K	90.5	Very high	88	Confident	95 Å²	95	70.9 Å²	70.9	41%	0.413	37%	0.372	S	S	.	.	H	α-helix	trans	-71.8	-31.7	177.3	-66.2	174	-162.9	130.4	0	113	K513 K514 I515 I519 K521	K513-K517 WeakPolarHBondContact O-CD 3.23Å; K513-K517 WeakPolarHBondContact O-CE 3.4Å; K513-K517 WeakPolarHBondContact O-CG 3.4Å; K513-K517 PolarHBondContact O-NZ 2.97Å; K514-K517 PolarHBondContact O-N 3.42Å; K514-K517 VanDerWaalsContact O-N 3.15Å; I515-K517 VanDerWaalsContact C-N 3.26Å; I515-K517 PolarHBondContact O-N 3.05Å; K517-I519 VanDerWaalsContact C-N 3.35Å; K517-K521 VanDerWaalsContact O-CB 3.24Å; K517-K521 WeakPolarHBondContact O-CB 3.45Å; K517-K521 PolarHBondContact O-N 3.3Å
518	E	91.5	Very high	87.1	Confident	79 Å²	79	70.3 Å²	70.3	37%	0.369	36%	0.358	S	S	.	.	H	α-helix	trans	-73.6	-29.2	176.8	-73.5	170	-174.3	0	0	111.6	K514 I515 Y522	K514-E518 WeakPolarHBondContact CE-OE1 3.12Å; K514-E518 WeakPolarHBondContact CG-OE1 3.08Å; K514-E518 VanDerWaalsContact NZ-CD 3.3Å; K514-E518 IonicContact NZ-OE1 2.79Å; K514-E518 PolarHBondContact NZ-OE1 3.33Å; K514-E518 IonicContact NZ-OE2 2.68Å; K514-E518 PolarHBondContact NZ-OE2 2.7Å; K514-E518 PolarHBondContact O-N 3.45Å; I515-E518 CarbonylContact O-C 3.6Å; I515-E518 WeakPolarHBondContact O-CA 3.28Å; I515-E518 WeakPolarHBondContact O-CB 3.47Å; I515-E518 PolarHBondContact O-N 2.9Å; E518-Y522 WeakPolarHBondContact O-CB 3.49Å; E518-Y522 PolarHBondContact O-N 2.74Å
519	I	91	Very high	86.4	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-67.6	-54.5	167.7	-61.7	166.5	0	0	0	110.3	I515 I516 K517 K521 Y522 N523 I540 D543 R545	I515-I519 HydrophobicContact CG2-CD1 3.93Å; I515-I519 HydrophobicContact CG2-CG1 4.37Å; I515-I519 WeakPolarHBondContact O-CG1 3.47Å; I515-I519 PolarHBondContact O-N 2.95Å; I516-I519 PolarHBondContact O-N 3.06Å; K517-I519 VanDerWaalsContact C-N 3.35Å; I519-K521 VanDerWaalsContact C-N 3.28Å; I519-K521 PolarHBondContact O-N 3.28Å; I519-Y522 WeakPolarHBondContact O-CB 3.4Å; I519-Y522 PolarHBondContact O-N 2.79Å; I519-N523 PolarHBondContact O-N 3.28Å; I519-I540 HydrophobicContact CB-CD1 4Å; I519-I540 HydrophobicContact CD1-CD1 4.48Å; I519-I540 HydrophobicContact CD1-CG2 4.2Å; I519-I540 HydrophobicContact CG2-CD1 3.81Å; I519-D543 HydrophobicContact CB-CB 4.44Å; I519-D543 HydrophobicContact CD1-CB 4.02Å; I519-D543 HydrophobicContact CG1-CB 3.96Å; I519-D543 HydrophobicContact CG2-CB 3.62Å; I519-R545 HydrophobicContact CD1-CB 4.28Å; I519-R545 HydrophobicContact CG1-CB 4.47Å
520	L	89.4	Confident	85.8	Confident	17 Å²	17	71.8 Å²	71.8	9%	0.089	39%	0.385	C	S	.	.	H	α-helix	trans	-58.4	-37.7	179.5	-67.7	162.5	0	0	0	113.3	I516 Y522 C524 T525 I527 F536 I539 I540 L561	I516-L520 HydrophobicContact CG2-CD1 3.99Å; I516-L520 WeakPolarHBondContact O-CD1 3.29Å; I516-L520 VanDerWaalsContact O-CG 3.25Å; I516-L520 WeakPolarHBondContact O-CG 3.45Å; I516-L520 PolarHBondContact O-N 3.49Å; L520-Y522 VanDerWaalsContact C-N 3.35Å; L520-C524 PolarHBondContact O-N 2.82Å; L520-T525 PolarHBondContact O-N 3.26Å; L520-I527 HydrophobicContact CD1-CD1 3.56Å; L520-I527 HydrophobicContact CD2-CD1 3.78Å; L520-I527 HydrophobicContact CD2-CG1 4.25Å; L520-I527 HydrophobicContact CG-CD1 4.29Å; L520-F536 HydrophobicContact CD1-CE2 4.02Å; L520-F536 HydrophobicContact CD2-CE2 4.46Å; L520-I539 HydrophobicContact CD2-CG2 4.18Å; L520-I540 HydrophobicContact CD1-CD1 4.49Å; L520-I540 HydrophobicContact CD2-CD1 4.07Å; L520-I540 HydrophobicContact CG-CD1 3.9Å; L520-L561 HydrophobicContact CD1-CD1 3.91Å
521	K	88.9	Confident	85.4	Confident	176 Å²	176	68.7 Å²	68.7	77%	0.765	36%	0.364	S	S	*	.	H	α-helix	trans	-67.2	-35.3	175.2	-173.4	-171.7	173.9	-164.6	0	112	K517 I519	K517-K521 VanDerWaalsContact O-CB 3.24Å; K517-K521 WeakPolarHBondContact O-CB 3.45Å; K517-K521 PolarHBondContact O-N 3.3Å; I519-K521 VanDerWaalsContact C-N 3.28Å; I519-K521 PolarHBondContact O-N 3.28Å
522	Y	87.9	Confident	85.3	Confident	171 Å²	171	67.9 Å²	67.9	67%	0.671	36%	0.355	S	S	*	.	H	α-helix	trans	-75	-44.4	178.8	-177.9	-101.6	0	0	0	111.7	E518 I519 L520 C524	E518-Y522 WeakPolarHBondContact O-CB 3.49Å; E518-Y522 PolarHBondContact O-N 2.74Å; I519-Y522 WeakPolarHBondContact O-CB 3.4Å; I519-Y522 PolarHBondContact O-N 2.79Å; L520-Y522 VanDerWaalsContact C-N 3.35Å; Y522-C524 PolarHBondContact O-N 3.11Å; Y522-C524 VanDerWaalsContact O-N 3.14Å
523	N	83.4	Confident	85.1	Confident	55 Å²	55	69.2 Å²	69.2	29%	0.294	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	3.8	178.2	-68.5	-10.5	0	0	0	113.6	I519 T525 I539	I519-N523 PolarHBondContact O-N 3.28Å; N523-T525 PolarHBondContact O-N 2.55Å; N523-I539 HydrophobicContact CB-CG2 4.37Å; N523-I539 PolarHBondContact ND2-O 3.14Å
524	C	77.5	Confident	85	Confident	108 Å²	108	74.7 Å²	74.7	73%	0.73	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	29.2	178.2	-69.9	0	0	0	0	115.1	L520 Y522 P526	L520-C524 PolarHBondContact O-N 2.82Å; Y522-C524 PolarHBondContact O-N 3.11Å; Y522-C524 VanDerWaalsContact O-N 3.14Å; C524-P526 WeakPolarHBondContact O-CD 3.49Å
525	T	71.8	Confident	84.9	Confident	47 Å²	47	73.1 Å²	73.1	29%	0.288	38%	0.383	S	S	.	.			trans	-96.7	101.6	-174.4	33.9	0	0	0	0	111.5	L520 N523 I527 I539	L520-T525 PolarHBondContact O-N 3.26Å; N523-T525 PolarHBondContact O-N 2.55Å; T525-I527 PolarHBondContact O-N 3.13Å; T525-I539 HydrophobicContact CG2-CD1 4.03Å; T525-I539 HydrophobicContact CG2-CG2 4.48Å
526	P	72.1	Confident	84.9	Confident	110 Å²	110	70.4 Å²	70.4	71%	0.714	37%	0.369	S	S	*	.			trans	-72	112.9	174.1	29.8	-34.2	0	0	0	110.1	C524 D528	C524-P526 WeakPolarHBondContact O-CD 3.49Å; P526-D528 PolarHBondContact O-N 3.02Å
527	I	72.6	Confident	84.8	Confident	20 Å²	20	71.5 Å²	71.5	10%	0.103	38%	0.376	C	S	.	.			trans	-71.3	103.6	169.7	-62.8	163.8	0	0	0	108.7	L520 T525 F536 L561 R568	L520-I527 HydrophobicContact CD1-CD1 3.56Å; L520-I527 HydrophobicContact CD2-CD1 3.78Å; L520-I527 HydrophobicContact CD2-CG1 4.25Å; L520-I527 HydrophobicContact CG-CD1 4.29Å; T525-I527 PolarHBondContact O-N 3.13Å; I527-F536 HydrophobicContact CD1-CD2 3.6Å; I527-F536 HydrophobicContact CD1-CE2 3.59Å; I527-F536 HydrophobicContact CG1-CD2 4.43Å; I527-L561 HydrophobicContact CD1-CB 4.32Å; I527-L561 HydrophobicContact CD1-CD1 3.77Å; I527-L561 HydrophobicContact CG2-CB 4.48Å; I527-R568 PolarHBondContact O-NH2 3.21Å
528	D	74.6	Confident	84.8	Confident	61 Å²	61	70.7 Å²	70.7	33%	0.326	38%	0.383	S	S	.	.			trans	-109.1	178.7	165.6	-150.5	-2.3	0	0	0	110.4	P526 S530 V531	P526-D528 PolarHBondContact O-N 3.02Å; D528-S530 PolarHBondContact O-N 3.1Å; D528-V531 PolarHBondContact O-N 3.42Å
529	L	79.2	Confident	84.6	Confident	80 Å²	80	68.9 Å²	68.9	42%	0.419	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-8.8	-172.5	-67.8	166.7	0	0	0	116.2	L562 A565 Q566 E569	L529-L562 HydrophobicContact CD2-CD1 4.09Å; L529-A565 HydrophobicContact CD2-CB 4.07Å; L529-A565 HydrophobicContact CG-CB 4.17Å; L529-Q566 HydrophobicContact CD2-CB 4.28Å; L529-Q566 HydrophobicContact CD2-CG 3.45Å; L529-Q566 VanDerWaalsContact CD2-CG 3.45Å; L529-E569 HydrophobicContact CD1-CB 3.79Å; L529-E569 HydrophobicContact CD1-CG 3.73Å
530	S	80.5	Confident	84.6	Confident	108 Å²	108	68.9 Å²	68.9	76%	0.755	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-14.1	-178.6	52.1	0	0	0	0	115.1	D528	D528-S530 PolarHBondContact O-N 3.1Å
531	V	85	Confident	84.6	Confident	28 Å²	28	71.7 Å²	71.7	17%	0.17	40%	0.396	C	S	.	.			trans	-78.9	124.3	-176.5	-178	0	0	0	0	109.6	D528 D535 Y558	D528-V531 PolarHBondContact O-N 3.42Å; V531-D535 HydrophobicContact CG1-CB 4.03Å; V531-Y558 PolarHBondContact O-OH 3.41Å; V531-Y558 VanDerWaalsContact O-OH 3.07Å
532	S	90.7	Very high	84.5	Confident	44 Å²	44	67.6 Å²	67.6	31%	0.308	39%	0.389	S	S	.	.			trans	-78.2	167.7	178.3	80.5	0	0	0	0	112.5	E534 D535 F536	S532-E534 VanDerWaalsContact C-N 3.27Å; S532-E534 PolarHBondContact O-N 3.08Å; S532-E534 PolarHBondContact OG-N 2.94Å; S532-D535 WeakPolarHBondContact CB-OD2 3.4Å; S532-D535 PolarHBondContact N-OD2 2.84Å; S532-D535 VanDerWaalsContact N-OD2 3.08Å; S532-D535 PolarHBondContact OG-N 2.85Å; S532-D535 VanDerWaalsContact OG-N 3.08Å; S532-D535 PolarHBondContact OG-OD2 2.83Å; S532-F536 WeakPolarHBondContact O-CB 3.15Å; S532-F536 PolarHBondContact O-N 3.41Å
533	Y	90.8	Very high	84.6	Confident	41 Å²	41	60.5 Å²	60.5	16%	0.161	36%	0.363	C	S	.	.	H	α-helix	trans	-64.5	-33.7	172.4	-178.5	-105.4	0	0	0	112.1	F536 C537 E551 R555 Y558	Y533-F536 PolarHBondContact O-N 2.89Å; Y533-C537 VanDerWaalsContact CE1-SG 3.51Å; Y533-C537 WeakPolarHBondContact O-CB 3.45Å; Y533-C537 PolarHBondContact O-N 3.31Å; Y533-C537 PolarHBondContact O-SG 2.86Å; Y533-C537 PolarHBondContact OH-SG 3.04Å; Y533-E551 PolarHBondContact OH-O 3.05Å; Y533-R555 HydrophobicContact CE2-CB 3.93Å; Y533-R555 HydrophobicContact CE2-CG 4.24Å; Y533-Y558 AromaticContact CD2-CD1 3.78Å; Y533-Y558 HydrophobicContact CD2-CD1 3.78Å; Y533-Y558 HydrophobicContact CD2-CD2 4.31Å; Y533-Y558 HydrophobicContact CD2-CE1 4.29Å; Y533-Y558 AromaticContact CD2-CG 3.78Å; Y533-Y558 HydrophobicContact CD2-CG 3.78Å; Y533-Y558 PolarHBondContact N-OH 3.2Å
534	E	91.1	Very high	85	Confident	154 Å²	154	64.6 Å²	64.6	72%	0.72	38%	0.38	S	S	*	.	H	α-helix	trans	-73	-40.5	-179	-67.5	169.8	-156.8	0	0	111.2	S532 C537 S538	S532-E534 VanDerWaalsContact C-N 3.27Å; S532-E534 PolarHBondContact O-N 3.08Å; S532-E534 PolarHBondContact OG-N 2.94Å; E534-C537 PolarHBondContact O-N 3.06Å; E534-S538 WeakPolarHBondContact O-CB 3.18Å; E534-S538 PolarHBondContact O-N 2.86Å; E534-S538 PolarHBondContact O-OG 2.92Å
535	D	90.8	Very high	85.5	Confident	84 Å²	84	64.4 Å²	64.4	45%	0.449	37%	0.365	S	S	.	.	H	α-helix	trans	-60.5	-47.1	170.5	-59.1	-57.7	0	0	0	110.7	V531 S532 S538 I539	V531-D535 HydrophobicContact CG1-CB 4.03Å; S532-D535 WeakPolarHBondContact CB-OD2 3.4Å; S532-D535 PolarHBondContact N-OD2 2.84Å; S532-D535 VanDerWaalsContact N-OD2 3.08Å; S532-D535 PolarHBondContact OG-N 2.85Å; S532-D535 VanDerWaalsContact OG-N 3.08Å; S532-D535 PolarHBondContact OG-OD2 2.83Å; D535-S538 WeakPolarHBondContact O-CB 3.3Å; D535-S538 PolarHBondContact O-N 3.09Å; D535-I539 WeakPolarHBondContact O-CB 3.33Å; D535-I539 WeakPolarHBondContact O-CD1 3.48Å; D535-I539 VanDerWaalsContact O-CG1 3.23Å; D535-I539 WeakPolarHBondContact O-CG1 3.34Å; D535-I539 PolarHBondContact O-N 3.02Å
536	F	91.5	Very high	86.3	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-58.6	-49.4	177.9	173.8	-88.1	0	0	0	111.6	I516 L520 I527 S532 Y533 S538 I539 I540 M554 T557 Y558 L561	I516-F536 HydrophobicContact CG2-CE2 4.34Å; I516-F536 HydrophobicContact CG2-CZ 3.79Å; L520-F536 HydrophobicContact CD1-CE2 4.02Å; L520-F536 HydrophobicContact CD2-CE2 4.46Å; I527-F536 HydrophobicContact CD1-CD2 3.6Å; I527-F536 HydrophobicContact CD1-CE2 3.59Å; I527-F536 HydrophobicContact CG1-CD2 4.43Å; S532-F536 WeakPolarHBondContact O-CB 3.15Å; S532-F536 PolarHBondContact O-N 3.41Å; Y533-F536 PolarHBondContact O-N 2.89Å; F536-S538 VanDerWaalsContact C-N 3.3Å; F536-S538 PolarHBondContact O-N 2.76Å; F536-I539 PolarHBondContact O-N 3.09Å; F536-I540 HydrophobicContact CD1-CG1 4.43Å; F536-I540 HydrophobicContact CE1-CG1 4.14Å; F536-I540 HydrophobicContact CZ-CG1 4.21Å; F536-I540 WeakPolarHBondContact O-CG1 3.24Å; F536-I540 PolarHBondContact O-N 2.99Å; F536-M554 HydrophobicContact CE1-CB 4.35Å; F536-T557 HydrophobicContact CZ-CG2 4.4Å; F536-Y558 HydrophobicContact CB-CD2 3.73Å; F536-Y558 HydrophobicContact CB-CE2 4.14Å; F536-Y558 HydrophobicContact CD1-CD2 4.12Å; F536-Y558 HydrophobicContact CD1-CG 4.4Å; F536-Y558 AromaticContact CD2-CD2 3.83Å; F536-Y558 HydrophobicContact CD2-CD2 3.83Å; F536-Y558 HydrophobicContact CE2-CD2 4.42Å; F536-Y558 AromaticContact CG-CD2 3.64Å; F536-Y558 HydrophobicContact CG-CD2 3.64Å; F536-Y558 HydrophobicContact CG-CG 4.35Å; F536-L561 HydrophobicContact CE2-CD1 4.18Å
537	C	90.9	Very high	86.8	Confident	24 Å²	24	64.8 Å²	64.8	16%	0.162	35%	0.352	C	S	.	.	H	α-helix	trans	-62	-36.9	176.7	-78.4	0	0	0	0	112.5	Y533 E534 I540 S541	Y533-C537 VanDerWaalsContact CE1-SG 3.51Å; Y533-C537 WeakPolarHBondContact O-CB 3.45Å; Y533-C537 PolarHBondContact O-N 3.31Å; Y533-C537 PolarHBondContact O-SG 2.86Å; Y533-C537 PolarHBondContact OH-SG 3.04Å; E534-C537 PolarHBondContact O-N 3.06Å; C537-I540 PolarHBondContact O-N 2.88Å; C537-S541 WeakPolarHBondContact O-CB 3.41Å; C537-S541 PolarHBondContact O-N 3.05Å; C537-S541 PolarHBondContact O-OG 3.19Å
538	S	89.1	Confident	87.5	Confident	78 Å²	78	66.9 Å²	66.9	55%	0.545	38%	0.379	S	S	.	.	H	α-helix	trans	-65.9	-44.6	175.7	-57.9	0	0	0	0	111.8	E534 D535 F536 I540 S542	E534-S538 WeakPolarHBondContact O-CB 3.18Å; E534-S538 PolarHBondContact O-N 2.86Å; E534-S538 PolarHBondContact O-OG 2.92Å; D535-S538 WeakPolarHBondContact O-CB 3.3Å; D535-S538 PolarHBondContact O-N 3.09Å; F536-S538 VanDerWaalsContact C-N 3.3Å; F536-S538 PolarHBondContact O-N 2.76Å; S538-I540 VanDerWaalsContact C-N 3.35Å; S538-I540 PolarHBondContact O-N 2.95Å; S538-S542 WeakPolarHBondContact O-CB 3.44Å; S538-S542 PolarHBondContact O-N 3.15Å; S538-S542 VanDerWaalsContact O-N 3.1Å
539	I	88.4	Confident	88.2	Confident	41 Å²	41	64.2 Å²	64.2	21%	0.21	37%	0.365	C	S	.	.	H	α-helix	trans	-61.6	-41.7	176.6	-68.6	159.4	0	0	0	111.1	L520 N523 T525 D535 F536 S542	L520-I539 HydrophobicContact CD2-CG2 4.18Å; N523-I539 HydrophobicContact CB-CG2 4.37Å; N523-I539 PolarHBondContact ND2-O 3.14Å; T525-I539 HydrophobicContact CG2-CD1 4.03Å; T525-I539 HydrophobicContact CG2-CG2 4.48Å; D535-I539 WeakPolarHBondContact O-CB 3.33Å; D535-I539 WeakPolarHBondContact O-CD1 3.48Å; D535-I539 VanDerWaalsContact O-CG1 3.23Å; D535-I539 WeakPolarHBondContact O-CG1 3.34Å; D535-I539 PolarHBondContact O-N 3.02Å; F536-I539 PolarHBondContact O-N 3.09Å; I539-S542 PolarHBondContact O-OG 3.45Å
540	I	90.5	Very high	88.8	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-72	-48.3	178.2	-62.9	-53.8	0	0	0	111.6	I516 I519 L520 F536 C537 S538 S542 D543 S546 M554	I516-I540 HydrophobicContact CB-CD1 4.47Å; I516-I540 HydrophobicContact CG1-CG2 4.48Å; I516-I540 HydrophobicContact CG2-CD1 3.78Å; I516-I540 HydrophobicContact CG2-CG1 4.22Å; I519-I540 HydrophobicContact CB-CD1 4Å; I519-I540 HydrophobicContact CD1-CD1 4.48Å; I519-I540 HydrophobicContact CD1-CG2 4.2Å; I519-I540 HydrophobicContact CG2-CD1 3.81Å; L520-I540 HydrophobicContact CD1-CD1 4.49Å; L520-I540 HydrophobicContact CD2-CD1 4.07Å; L520-I540 HydrophobicContact CG-CD1 3.9Å; F536-I540 HydrophobicContact CD1-CG1 4.43Å; F536-I540 HydrophobicContact CE1-CG1 4.14Å; F536-I540 HydrophobicContact CZ-CG1 4.21Å; F536-I540 WeakPolarHBondContact O-CG1 3.24Å; F536-I540 PolarHBondContact O-N 2.99Å; C537-I540 PolarHBondContact O-N 2.88Å; S538-I540 VanDerWaalsContact C-N 3.35Å; S538-I540 PolarHBondContact O-N 2.95Å; I540-S542 PolarHBondContact O-N 2.89Å; I540-D543 PolarHBondContact O-N 3.45Å; I540-D543 VanDerWaalsContact O-N 3.1Å; I540-S546 WeakPolarHBondContact O-CB 3.27Å; I540-S546 PolarHBondContact O-OG 2.93Å; I540-M554 HydrophobicContact CG2-CE 4.34Å; I540-M554 HydrophobicContact CG2-SD 4.26Å
541	S	88.4	Confident	89.2	Confident	75 Å²	75	58.5 Å²	58.5	52%	0.524	32%	0.324	S	S	.	.	H	α-helix	trans	-65	-19.8	-177.6	-57	0	0	0	0	113.9	C537 D543 S546	C537-S541 WeakPolarHBondContact O-CB 3.41Å; C537-S541 PolarHBondContact O-N 3.05Å; C537-S541 PolarHBondContact O-OG 3.19Å; S541-D543 VanDerWaalsContact C-N 3.27Å; S541-D543 PolarHBondContact O-N 3.22Å; S541-S546 WeakPolarHBondContact CA-OG 3.48Å
542	S	88.1	Confident	89.5	Confident	90 Å²	90	57.2 Å²	57.2	63%	0.629	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-17.7	173.9	70.8	0	0	0	0	114.4	S538 I539 I540	S538-S542 WeakPolarHBondContact O-CB 3.44Å; S538-S542 PolarHBondContact O-N 3.15Å; S538-S542 VanDerWaalsContact O-N 3.1Å; I539-S542 PolarHBondContact O-OG 3.45Å; I540-S542 PolarHBondContact O-N 2.89Å
543	D	90.4	Very high	89.5	Confident	22 Å²	22	55.1 Å²	55.1	12%	0.118	30%	0.302	C	S	.	.	S	Bend	trans	-97.8	129.9	179.4	-168.7	-60.6	0	0	0	110.3	I519 I540 S541 R545 S546	I519-D543 HydrophobicContact CB-CB 4.44Å; I519-D543 HydrophobicContact CD1-CB 4.02Å; I519-D543 HydrophobicContact CG1-CB 3.96Å; I519-D543 HydrophobicContact CG2-CB 3.62Å; I540-D543 PolarHBondContact O-N 3.45Å; I540-D543 VanDerWaalsContact O-N 3.1Å; S541-D543 VanDerWaalsContact C-N 3.27Å; S541-D543 PolarHBondContact O-N 3.22Å; D543-R545 PolarHBondContact O-N 3.27Å; D543-R545 VanDerWaalsContact O-N 3.08Å; D543-R545 WeakPolarHBondContact OD1-CB 3.45Å; D543-R545 VanDerWaalsContact OD1-CG 3.27Å; D543-R545 WeakPolarHBondContact OD1-CG 3.36Å; D543-R545 IonicContact OD1-CZ 3.18Å; D543-R545 PolarHBondContact OD1-N 2.85Å; D543-R545 IonicContact OD1-NE 3.37Å; D543-R545 PolarHBondContact OD1-NE 2.95Å; D543-R545 IonicContact OD1-NH2 3.21Å; D543-R545 IonicContact OD2-CZ 3.29Å; D543-R545 IonicContact OD2-NE 2.69Å; D543-R545 PolarHBondContact OD2-NE 3.4Å; D543-R545 IonicContact OD2-NH2 2.95Å; D543-R545 PolarHBondContact OD2-NH2 3.01Å; D543-S546 VanDerWaalsContact O-CB 3.3Å; D543-S546 WeakPolarHBondContact O-CB 3.15Å; D543-S546 PolarHBondContact O-N 3.19Å; D543-S546 PolarHBondContact O-OG 3.13Å
544	E	90.1	Very high	89.5	Confident	141 Å²	141	53.7 Å²	53.7	66%	0.659	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-57.6	-26.6	-178.1	177.2	154.5	-125	0	0	113.6	S546 K547	E544-S546 PolarHBondContact O-N 2.91Å; E544-S546 VanDerWaalsContact O-N 3.14Å; E544-K547 HydrophobicContact CG-CD 4.05Å; E544-K547 WeakPolarHBondContact O-CB 3.41Å; E544-K547 WeakPolarHBondContact O-CG 3.21Å; E544-K547 PolarHBondContact O-N 2.88Å; E544-K547 IonicContact OE1-NZ 2.71Å; E544-K547 PolarHBondContact OE1-NZ 2.96Å
545	R	88.7	Confident	89.5	Confident	105 Å²	105	51.2 Å²	51.2	40%	0.396	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-68.6	-8.1	176.7	-58.5	172.5	-71.1	170.9	-6.4	113.5	I515 I519 D543	I515-R545 HydrophobicContact CG2-CB 3.86Å; I515-R545 WeakPolarHBondContact CG2-O 3.45Å; I519-R545 HydrophobicContact CD1-CB 4.28Å; I519-R545 HydrophobicContact CG1-CB 4.47Å; D543-R545 PolarHBondContact O-N 3.27Å; D543-R545 VanDerWaalsContact O-N 3.08Å; D543-R545 WeakPolarHBondContact OD1-CB 3.45Å; D543-R545 VanDerWaalsContact OD1-CG 3.27Å; D543-R545 WeakPolarHBondContact OD1-CG 3.36Å; D543-R545 IonicContact OD1-CZ 3.18Å; D543-R545 PolarHBondContact OD1-N 2.85Å; D543-R545 IonicContact OD1-NE 3.37Å; D543-R545 PolarHBondContact OD1-NE 2.95Å; D543-R545 IonicContact OD1-NH2 3.21Å; D543-R545 IonicContact OD2-CZ 3.29Å; D543-R545 IonicContact OD2-NE 2.69Å; D543-R545 PolarHBondContact OD2-NE 3.4Å; D543-R545 IonicContact OD2-NH2 2.95Å; D543-R545 PolarHBondContact OD2-NH2 3.01Å
546	S	88	Confident	89.6	Confident	12 Å²	12	50.1 Å²	50.1	8%	0.084	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-80.9	-15.3	174.1	68.8	0	0	0	0	114.3	I540 S541 D543 E544 G548 I549	I540-S546 WeakPolarHBondContact O-CB 3.27Å; I540-S546 PolarHBondContact O-OG 2.93Å; S541-S546 WeakPolarHBondContact CA-OG 3.48Å; D543-S546 VanDerWaalsContact O-CB 3.3Å; D543-S546 WeakPolarHBondContact O-CB 3.15Å; D543-S546 PolarHBondContact O-N 3.19Å; D543-S546 PolarHBondContact O-OG 3.13Å; E544-S546 PolarHBondContact O-N 2.91Å; E544-S546 VanDerWaalsContact O-N 3.14Å; S546-G548 PolarHBondContact O-N 3.31Å; S546-G548 VanDerWaalsContact O-N 3.14Å; S546-I549 WeakPolarHBondContact O-CB 3.17Å; S546-I549 WeakPolarHBondContact O-CG1 3.49Å; S546-I549 PolarHBondContact O-N 3.1Å
547	K	84.4	Confident	89.6	Confident	152 Å²	152	50.1 Å²	50.1	66%	0.661	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	118.3	179	-68.6	177.7	-177.2	176.9	0	110.1	E544	E544-K547 HydrophobicContact CG-CD 4.05Å; E544-K547 WeakPolarHBondContact O-CB 3.41Å; E544-K547 WeakPolarHBondContact O-CG 3.21Å; E544-K547 PolarHBondContact O-N 2.88Å; E544-K547 IonicContact OE1-NZ 2.71Å; E544-K547 PolarHBondContact OE1-NZ 2.96Å
548	G	85.5	Confident	89.7	Confident	64 Å²	64	50.3 Å²	50.3	66%	0.66	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	4	-178.9	0	0	0	0	0	116.1	S546	S546-G548 PolarHBondContact O-N 3.31Å; S546-G548 VanDerWaalsContact O-N 3.14Å
549	I	90.6	Very high	89.9	Confident	6 Å²	6	50 Å²	50	3%	0.031	26%	0.264	C	S	.	.			trans	-74.4	136.1	169.3	-64.1	-172.1	0	0	0	110	E512 I515 I516 S546 M554	E512-I549 HydrophobicContact CB-CG1 4.46Å; E512-I549 HydrophobicContact CB-CG2 4.19Å; E512-I549 HydrophobicContact CG-CG1 4.23Å; E512-I549 HydrophobicContact CG-CG2 4.37Å; I515-I549 HydrophobicContact CB-CD1 4.23Å; I515-I549 HydrophobicContact CG2-CD1 3.97Å; I516-I549 HydrophobicContact CD1-CG2 4.11Å; I516-I549 HydrophobicContact CG1-CD1 3.95Å; I516-I549 HydrophobicContact CG1-CG2 4.49Å; S546-I549 WeakPolarHBondContact O-CB 3.17Å; S546-I549 WeakPolarHBondContact O-CG1 3.49Å; S546-I549 PolarHBondContact O-N 3.1Å; I549-M554 HydrophobicContact CB-CE 3.86Å; I549-M554 HydrophobicContact CG2-CE 3.75Å; I549-M554 HydrophobicContact CG2-CG 3.65Å
550	D	90.9	Very high	90	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.261	C	S	.	.			trans	-75.3	138.3	177.1	165.7	69	0	0	0	112	H459 T465 S466 E512 G552 N553 M554	H459-D550 IonicContact CE1-OD1 3.15Å; H459-D550 PolarHBondContact CE1-OD1 2.72Å; H459-D550 IonicContact ND1-OD1 3.63Å; T465-D550 WeakPolarHBondContact CA-OD1 3.44Å; T465-D550 VanDerWaalsContact CB-OD1 3.28Å; T465-D550 WeakPolarHBondContact CB-OD1 3.5Å; S466-D550 WeakPolarHBondContact CB-OD2 3.47Å; S466-D550 PolarHBondContact N-OD1 3.4Å; S466-D550 VanDerWaalsContact N-OD1 3.1Å; S466-D550 PolarHBondContact N-OD2 3.01Å; S466-D550 VanDerWaalsContact N-OD2 3.13Å; S466-D550 PolarHBondContact OG-OD2 3.5Å; E512-D550 PolarHBondContact OE2-N 3.07Å; D550-G552 VanDerWaalsContact C-N 3.32Å; D550-G552 PolarHBondContact O-N 2.95Å; D550-G552 VanDerWaalsContact OD2-CA 3.23Å; D550-G552 WeakPolarHBondContact OD2-CA 3.3Å; D550-G552 PolarHBondContact OD2-N 3.02Å; D550-N553 HydrophobicContact CB-CB 4.08Å; D550-N553 CarbonylContact O-C 3.57Å; D550-N553 WeakPolarHBondContact O-CA 3.17Å; D550-N553 WeakPolarHBondContact O-CB 3.37Å; D550-N553 PolarHBondContact O-N 3.43Å; D550-N553 VanDerWaalsContact O-N 3.11Å; D550-N553 PolarHBondContact OD2-N 3.39Å; D550-M554 WeakPolarHBondContact O-CG 3.39Å; D550-M554 PolarHBondContact O-N 3.08Å
551	E	90.3	Very high	90	Very high	67 Å²	67	50.3 Å²	50.3	31%	0.313	27%	0.269	S	S	.	.	H	α-helix	trans	-71.1	-27.8	-176.6	-62.8	-172.2	-172.7	0	0	113	K462 T465 Y533 M554 R555	K462-E551 HydrophobicContact CD-CG 4.41Å; K462-E551 WeakPolarHBondContact CD-OE1 3.48Å; K462-E551 WeakPolarHBondContact CE-OE1 3.5Å; K462-E551 VanDerWaalsContact CG-OE1 3.26Å; K462-E551 WeakPolarHBondContact CG-OE1 3.48Å; K462-E551 IonicContact NZ-OE1 3.94Å; K462-E551 PolarHBondContact NZ-OE1 2.99Å; T465-E551 HydrophobicContact CG2-CB 4.08Å; Y533-E551 PolarHBondContact OH-O 3.05Å; E551-M554 WeakPolarHBondContact O-CB 3.48Å; E551-M554 PolarHBondContact O-N 2.89Å; E551-R555 WeakPolarHBondContact O-CB 3.42Å; E551-R555 PolarHBondContact O-N 3.2Å
552	G	89.6	Confident	90.1	Very high	2 Å²	2	48.3 Å²	48.3	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-65.5	-40.8	168.9	0	0	0	0	0	111.7	S466 D550 R555 M556	S466-G552 VanDerWaalsContact OG-C 3.31Å; S466-G552 WeakPolarHBondContact OG-CA 3.05Å; D550-G552 VanDerWaalsContact C-N 3.32Å; D550-G552 PolarHBondContact O-N 2.95Å; D550-G552 VanDerWaalsContact OD2-CA 3.23Å; D550-G552 WeakPolarHBondContact OD2-CA 3.3Å; D550-G552 PolarHBondContact OD2-N 3.02Å; G552-R555 PolarHBondContact O-N 3.44Å; G552-M556 WeakPolarHBondContact O-CB 3.41Å; G552-M556 WeakPolarHBondContact O-CG 3.37Å; G552-M556 PolarHBondContact O-N 3.32Å
553	N	91.1	Very high	90.2	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-68.4	-32.4	174.5	-73.5	-21.6	0	0	0	112.2	S466 L505 F509 E512 D550 T557	S466-N553 PolarHBondContact OG-N 3.41Å; S466-N553 PolarHBondContact OG-OD1 3.13Å; L505-N553 PolarHBondContact O-ND2 3.37Å; F509-N553 WeakPolarHBondContact CB-OD1 3.49Å; F509-N553 HydrophobicContact CD2-CB 3.98Å; F509-N553 WeakPolarHBondContact CD2-OD1 3.39Å; E512-N553 WeakPolarHBondContact OE2-CB 3.32Å; E512-N553 PolarHBondContact OE2-ND2 2.93Å; D550-N553 HydrophobicContact CB-CB 4.08Å; D550-N553 CarbonylContact O-C 3.57Å; D550-N553 WeakPolarHBondContact O-CA 3.17Å; D550-N553 WeakPolarHBondContact O-CB 3.37Å; D550-N553 PolarHBondContact O-N 3.43Å; D550-N553 VanDerWaalsContact O-N 3.11Å; D550-N553 PolarHBondContact OD2-N 3.39Å; N553-T557 VanDerWaalsContact O-CB 3.29Å; N553-T557 WeakPolarHBondContact O-CB 3.48Å; N553-T557 PolarHBondContact O-N 3.42Å; N553-T557 VanDerWaalsContact O-N 3.09Å; N553-T557 PolarHBondContact O-OG1 2.93Å
554	M	91.3	Very high	90.2	Very high	10 Å²	10	54.8 Å²	54.8	5%	0.049	27%	0.27	C	S	.	.	H	α-helix	trans	-61.9	-52	167.2	-63.9	-167.2	-163	0	0	110.9	I516 F536 I540 I549 D550 E551 T557 Y558	I516-M554 HydrophobicContact CD1-CG 4.36Å; F536-M554 HydrophobicContact CE1-CB 4.35Å; I540-M554 HydrophobicContact CG2-CE 4.34Å; I540-M554 HydrophobicContact CG2-SD 4.26Å; I549-M554 HydrophobicContact CB-CE 3.86Å; I549-M554 HydrophobicContact CG2-CE 3.75Å; I549-M554 HydrophobicContact CG2-CG 3.65Å; D550-M554 WeakPolarHBondContact O-CG 3.39Å; D550-M554 PolarHBondContact O-N 3.08Å; E551-M554 WeakPolarHBondContact O-CB 3.48Å; E551-M554 PolarHBondContact O-N 2.89Å; M554-T557 CarbonylContact O-C 3.55Å; M554-T557 WeakPolarHBondContact O-CA 3.47Å; M554-T557 WeakPolarHBondContact O-CB 3.49Å; M554-T557 PolarHBondContact O-N 3.05Å; M554-Y558 PolarHBondContact O-N 2.83Å
555	R	91.7	Very high	90.1	Very high	102 Å²	102	48.1 Å²	48.1	39%	0.385	24%	0.239	S	C	.	.	H	α-helix	trans	-58.1	-51.2	177.9	-173	173.7	-65.1	-77.8	3.3	112.8	M467 Y533 E551 G552 T557 Y558 D559	M467-R555 HydrophobicContact SD-CB 3.98Å; M467-R555 HydrophobicContact SD-CG 4Å; Y533-R555 HydrophobicContact CE2-CB 3.93Å; Y533-R555 HydrophobicContact CE2-CG 4.24Å; E551-R555 WeakPolarHBondContact O-CB 3.42Å; E551-R555 PolarHBondContact O-N 3.2Å; G552-R555 PolarHBondContact O-N 3.44Å; R555-T557 PolarHBondContact O-N 3.1Å; R555-Y558 PolarHBondContact O-N 3.3Å; R555-Y558 VanDerWaalsContact O-N 3.12Å; R555-D559 VanDerWaalsContact O-CG 3.26Å; R555-D559 PolarHBondContact O-N 3.17Å
556	M	91.8	Very high	90.2	Very high	62 Å²	62	47 Å²	47	31%	0.305	24%	0.238	S	C	.	.	H	α-helix	trans	-62.2	-15.3	173.6	-70.2	178.9	57.7	0	0	113.8	M467 F509 K513 G552	M467-M556 HydrophobicContact CE-CG 4.3Å; M467-M556 HydrophobicContact CG-CG 4.15Å; M467-M556 HydrophobicContact CG-SD 4.08Å; M467-M556 HydrophobicContact SD-CG 3.7Å; M467-M556 HydrophobicContact SD-SD 4.42Å; F509-M556 HydrophobicContact CD1-CE 4.31Å; F509-M556 HydrophobicContact CD2-CB 4.27Å; F509-M556 HydrophobicContact CE1-CE 3.94Å; F509-M556 HydrophobicContact CE2-CB 3.38Å; F509-M556 HydrophobicContact CE2-CE 4.15Å; F509-M556 HydrophobicContact CZ-CB 3.67Å; F509-M556 HydrophobicContact CZ-CE 3.8Å; K513-M556 PolarHBondContact NZ-O 2.93Å; G552-M556 WeakPolarHBondContact O-CB 3.41Å; G552-M556 WeakPolarHBondContact O-CG 3.37Å; G552-M556 PolarHBondContact O-N 3.32Å
557	T	92.4	Very high	90.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-89.1	-44.2	171.4	-62	0	0	0	0	111.9	K513 I516 F536 N553 M554 R555 G560 L561	K513-T557 HydrophobicContact CD-CG2 4.37Å; K513-T557 WeakPolarHBondContact CD-OG1 3.35Å; K513-T557 HydrophobicContact CG-CG2 3.92Å; K513-T557 WeakPolarHBondContact CG-OG1 3.47Å; I516-T557 HydrophobicContact CB-CG2 4.1Å; I516-T557 HydrophobicContact CD1-CG2 4.08Å; I516-T557 HydrophobicContact CG2-CG2 3.53Å; F536-T557 HydrophobicContact CZ-CG2 4.4Å; N553-T557 VanDerWaalsContact O-CB 3.29Å; N553-T557 WeakPolarHBondContact O-CB 3.48Å; N553-T557 PolarHBondContact O-N 3.42Å; N553-T557 VanDerWaalsContact O-N 3.09Å; N553-T557 PolarHBondContact O-OG1 2.93Å; M554-T557 CarbonylContact O-C 3.55Å; M554-T557 WeakPolarHBondContact O-CA 3.47Å; M554-T557 WeakPolarHBondContact O-CB 3.49Å; M554-T557 PolarHBondContact O-N 3.05Å; R555-T557 PolarHBondContact O-N 3.1Å; T557-G560 CarbonylContact O-C 3.57Å; T557-G560 PolarHBondContact O-N 2.86Å; T557-L561 HydrophobicContact CG2-CD1 3.77Å; T557-L561 WeakPolarHBondContact O-CB 3.45Å; T557-L561 WeakPolarHBondContact O-CD1 3.2Å; T557-L561 WeakPolarHBondContact O-CG 3.36Å; T557-L561 PolarHBondContact O-N 3.04Å; T557-L561 VanDerWaalsContact O-N 3.11Å
558	Y	92.8	Very high	90.4	Very high	27 Å²	27	46.1 Å²	46.1	11%	0.106	24%	0.237	C	C	.	.	H	α-helix	trans	-56.6	-53.6	171.3	172.6	-96.8	0	0	0	111.5	V531 Y533 F536 M554 R555 G560 L561 L562	V531-Y558 PolarHBondContact O-OH 3.41Å; V531-Y558 VanDerWaalsContact O-OH 3.07Å; Y533-Y558 AromaticContact CD2-CD1 3.78Å; Y533-Y558 HydrophobicContact CD2-CD1 3.78Å; Y533-Y558 HydrophobicContact CD2-CD2 4.31Å; Y533-Y558 HydrophobicContact CD2-CE1 4.29Å; Y533-Y558 AromaticContact CD2-CG 3.78Å; Y533-Y558 HydrophobicContact CD2-CG 3.78Å; Y533-Y558 PolarHBondContact N-OH 3.2Å; F536-Y558 HydrophobicContact CB-CD2 3.73Å; F536-Y558 HydrophobicContact CB-CE2 4.14Å; F536-Y558 HydrophobicContact CD1-CD2 4.12Å; F536-Y558 HydrophobicContact CD1-CG 4.4Å; F536-Y558 AromaticContact CD2-CD2 3.83Å; F536-Y558 HydrophobicContact CD2-CD2 3.83Å; F536-Y558 HydrophobicContact CE2-CD2 4.42Å; F536-Y558 AromaticContact CG-CD2 3.64Å; F536-Y558 HydrophobicContact CG-CD2 3.64Å; F536-Y558 HydrophobicContact CG-CG 4.35Å; M554-Y558 PolarHBondContact O-N 2.83Å; R555-Y558 PolarHBondContact O-N 3.3Å; R555-Y558 VanDerWaalsContact O-N 3.12Å; Y558-G560 VanDerWaalsContact C-N 3.3Å; Y558-G560 PolarHBondContact O-N 2.87Å; Y558-L561 CarbonylContact O-C 3.56Å; Y558-L561 WeakPolarHBondContact O-CA 3.05Å; Y558-L561 WeakPolarHBondContact O-CB 3.42Å; Y558-L561 PolarHBondContact O-N 3.35Å; Y558-L562 HydrophobicContact CE1-CD2 3.94Å; Y558-L562 WeakPolarHBondContact O-CB 3.31Å; Y558-L562 PolarHBondContact O-N 3.26Å
559	D	92	Very high	90.5	Very high	72 Å²	72	45.4 Å²	45.4	39%	0.385	22%	0.216	S	C	.	.	H	α-helix	trans	-57.3	-44.5	-179.3	-64.2	-25.1	0	0	0	111.1	R555 L561 L562 E563	R555-D559 VanDerWaalsContact O-CG 3.26Å; R555-D559 PolarHBondContact O-N 3.17Å; D559-L561 PolarHBondContact O-N 2.81Å; D559-L562 PolarHBondContact O-N 2.92Å; D559-E563 WeakPolarHBondContact O-CB 3.4Å; D559-E563 PolarHBondContact O-N 3.45Å
560	G	91.3	Very high	90.4	Very high	16 Å²	16	51.5 Å²	51.5	17%	0.165	24%	0.239	C	C	.	.	H	α-helix	trans	-76.2	1.3	177	0	0	0	0	0	115.6	T557 Y558 K564	T557-G560 CarbonylContact O-C 3.57Å; T557-G560 PolarHBondContact O-N 2.86Å; Y558-G560 VanDerWaalsContact C-N 3.3Å; Y558-G560 PolarHBondContact O-N 2.87Å; G560-K564 WeakPolarHBondContact O-CD 3.34Å; G560-K564 WeakPolarHBondContact O-CE 3.26Å; G560-K564 WeakPolarHBondContact O-CG 3.37Å
561	L	90.4	Very high	90.2	Very high	31 Å²	31	55.2 Å²	55.2	16%	0.162	26%	0.256	C	S	.	.	H	α-helix	trans	-106.2	-37.4	168.5	-72.2	165.1	0	0	0	110.4	L520 I527 F536 T557 Y558 D559 K564 A565	L520-L561 HydrophobicContact CD1-CD1 3.91Å; I527-L561 HydrophobicContact CD1-CB 4.32Å; I527-L561 HydrophobicContact CD1-CD1 3.77Å; I527-L561 HydrophobicContact CG2-CB 4.48Å; F536-L561 HydrophobicContact CE2-CD1 4.18Å; T557-L561 HydrophobicContact CG2-CD1 3.77Å; T557-L561 WeakPolarHBondContact O-CB 3.45Å; T557-L561 WeakPolarHBondContact O-CD1 3.2Å; T557-L561 WeakPolarHBondContact O-CG 3.36Å; T557-L561 PolarHBondContact O-N 3.04Å; T557-L561 VanDerWaalsContact O-N 3.11Å; Y558-L561 CarbonylContact O-C 3.56Å; Y558-L561 WeakPolarHBondContact O-CA 3.05Å; Y558-L561 WeakPolarHBondContact O-CB 3.42Å; Y558-L561 PolarHBondContact O-N 3.35Å; D559-L561 PolarHBondContact O-N 2.81Å; L561-K564 CarbonylContact O-C 3.57Å; L561-K564 WeakPolarHBondContact O-CB 3.37Å; L561-K564 PolarHBondContact O-N 2.84Å; L561-A565 PolarHBondContact O-N 2.84Å
562	L	89.6	Confident	90.1	Very high	33 Å²	33	57.2 Å²	57.2	17%	0.173	26%	0.261	C	S	.	.	H	α-helix	trans	-64.8	-44.1	172.3	-174.7	64	0	0	0	111.8	L529 Y558 D559 K564 A565 Q566	L529-L562 HydrophobicContact CD2-CD1 4.09Å; Y558-L562 HydrophobicContact CE1-CD2 3.94Å; Y558-L562 WeakPolarHBondContact O-CB 3.31Å; Y558-L562 PolarHBondContact O-N 3.26Å; D559-L562 PolarHBondContact O-N 2.92Å; L562-K564 PolarHBondContact O-N 3.12Å; L562-A565 WeakPolarHBondContact O-CB 3.46Å; L562-A565 PolarHBondContact O-N 3.11Å; L562-Q566 WeakPolarHBondContact O-CG 3.34Å; L562-Q566 PolarHBondContact O-N 3.29Å
563	E	90.9	Very high	90.1	Very high	127 Å²	127	62.3 Å²	62.3	59%	0.593	28%	0.284	S	S	*	.	H	α-helix	trans	-56.7	-34.4	172	-169.3	-163	-168.7	0	0	111.2	D559 G567	D559-E563 WeakPolarHBondContact O-CB 3.4Å; D559-E563 PolarHBondContact O-N 3.45Å; E563-G567 PolarHBondContact O-N 2.75Å
564	K	90.2	Very high	90.1	Very high	122 Å²	122	66.3 Å²	66.3	53%	0.53	30%	0.299	S	S	.	.	H	α-helix	trans	-76.5	-33.2	176.1	-65.9	-177.7	-178.6	-172.5	0	112.8	G560 L561 L562 G567 R568	G560-K564 WeakPolarHBondContact O-CD 3.34Å; G560-K564 WeakPolarHBondContact O-CE 3.26Å; G560-K564 WeakPolarHBondContact O-CG 3.37Å; L561-K564 CarbonylContact O-C 3.57Å; L561-K564 WeakPolarHBondContact O-CB 3.37Å; L561-K564 PolarHBondContact O-N 2.84Å; L562-K564 PolarHBondContact O-N 3.12Å; K564-G567 PolarHBondContact O-N 3.3Å; K564-R568 WeakPolarHBondContact O-CG 3.43Å; K564-R568 PolarHBondContact O-N 2.84Å
565	A	88.5	Confident	89.9	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63.8	-50	170.4	0	0	0	0	0	110.4	L529 L561 L562 G567 R568 E569	L529-A565 HydrophobicContact CD2-CB 4.07Å; L529-A565 HydrophobicContact CG-CB 4.17Å; L561-A565 PolarHBondContact O-N 2.84Å; L562-A565 WeakPolarHBondContact O-CB 3.46Å; L562-A565 PolarHBondContact O-N 3.11Å; A565-G567 VanDerWaalsContact C-N 3.26Å; A565-G567 PolarHBondContact O-N 3.2Å; A565-R568 PolarHBondContact O-N 3.44Å; A565-E569 WeakPolarHBondContact O-CB 3.25Å; A565-E569 PolarHBondContact O-N 2.87Å
566	Q	89.8	Confident	89.8	Confident	82 Å²	82	68.3 Å²	68.3	38%	0.383	32%	0.318	S	S	.	.	H	α-helix	trans	-57.7	-37.5	172.6	-65.9	175.4	6.1	0	0	112.5	L529 L562 R570	L529-Q566 HydrophobicContact CD2-CB 4.28Å; L529-Q566 HydrophobicContact CD2-CG 3.45Å; L529-Q566 VanDerWaalsContact CD2-CG 3.45Å; L562-Q566 WeakPolarHBondContact O-CG 3.34Å; L562-Q566 PolarHBondContact O-N 3.29Å; Q566-R570 WeakPolarHBondContact O-CB 3.35Å; Q566-R570 WeakPolarHBondContact O-CG 3.3Å; Q566-R570 PolarHBondContact O-N 3.44Å; Q566-R570 PolarHBondContact O-NE 3.28Å
567	G	89.6	Confident	89.8	Confident	24 Å²	24	67.2 Å²	67.2	25%	0.247	32%	0.319	C	S	.	.	H	α-helix	trans	-66.2	-46.3	176.2	0	0	0	0	0	112.9	E563 K564 A565 E569 E571	E563-G567 PolarHBondContact O-N 2.75Å; K564-G567 PolarHBondContact O-N 3.3Å; A565-G567 VanDerWaalsContact C-N 3.26Å; A565-G567 PolarHBondContact O-N 3.2Å; G567-E569 VanDerWaalsContact C-N 3.32Å; G567-E571 PolarHBondContact O-N 2.83Å; G567-E571 VanDerWaalsContact O-N 3.1Å
568	R	88.4	Confident	89.7	Confident	122 Å²	122	71.5 Å²	71.5	46%	0.46	34%	0.335	S	S	.	.	H	α-helix	trans	-61.1	-42.6	173.3	-71.3	-176.1	-52.7	-103.4	7.5	111.2	I527 K564 A565 E571 R572	I527-R568 PolarHBondContact O-NH2 3.21Å; K564-R568 WeakPolarHBondContact O-CG 3.43Å; K564-R568 PolarHBondContact O-N 2.84Å; A565-R568 PolarHBondContact O-N 3.44Å; R568-E571 PolarHBondContact O-N 3.35Å; R568-R572 WeakPolarHBondContact O-CG 3.22Å; R568-R572 PolarHBondContact O-N 3.03Å
569	E	86.3	Confident	89.6	Confident	49 Å²	49	77 Å²	77	23%	0.229	36%	0.355	C	S	.	.	H	α-helix	trans	-67.2	-43.7	-178.8	-178.5	53.7	-152.3	0	0	112.4	L529 A565 G567 E571 R572 Q573	L529-E569 HydrophobicContact CD1-CB 3.79Å; L529-E569 HydrophobicContact CD1-CG 3.73Å; A565-E569 WeakPolarHBondContact O-CB 3.25Å; A565-E569 PolarHBondContact O-N 2.87Å; G567-E569 VanDerWaalsContact C-N 3.32Å; E569-E571 VanDerWaalsContact C-N 3.27Å; E569-E571 PolarHBondContact O-N 3.22Å; E569-R572 WeakPolarHBondContact O-CB 3.47Å; E569-R572 PolarHBondContact O-N 2.9Å; E569-R572 IonicContact OE2-CZ 3.93Å; E569-R572 IonicContact OE2-NE 2.7Å; E569-R572 PolarHBondContact OE2-NE 3.21Å; E569-R572 IonicContact OE2-NH2 2.67Å; E569-R572 PolarHBondContact OE2-NH2 2.85Å; E569-Q573 WeakPolarHBondContact O-CG 3.47Å; E569-Q573 PolarHBondContact O-N 3.31Å; E569-Q573 PolarHBondContact OE1-NE2 3.03Å
570	R	88.7	Confident	89.3	Confident	133 Å²	133	77.6 Å²	77.6	50%	0.502	36%	0.357	S	S	.	.	H	α-helix	trans	-61.9	-33.4	172.7	-78.7	-179.4	-86.2	109.3	-7.9	112.8	Q566 R574	Q566-R570 WeakPolarHBondContact O-CB 3.35Å; Q566-R570 WeakPolarHBondContact O-CG 3.3Å; Q566-R570 PolarHBondContact O-N 3.44Å; Q566-R570 PolarHBondContact O-NE 3.28Å; R570-R574 WeakPolarHBondContact O-CB 3.34Å; R570-R574 PolarHBondContact O-N 3.5Å
571	E	88.1	Confident	89.3	Confident	78 Å²	78	82.9 Å²	82.9	36%	0.364	37%	0.372	S	S	.	.	H	α-helix	trans	-74.8	-37.4	174.4	-151.7	66.6	-161.7	0	0	112.1	G567 R568 E569 Q573 R574 D575	G567-E571 PolarHBondContact O-N 2.83Å; G567-E571 VanDerWaalsContact O-N 3.1Å; R568-E571 PolarHBondContact O-N 3.35Å; E569-E571 VanDerWaalsContact C-N 3.27Å; E569-E571 PolarHBondContact O-N 3.22Å; E571-Q573 PolarHBondContact O-N 2.92Å; E571-R574 VanDerWaalsContact CD-NH1 3.31Å; E571-R574 WeakPolarHBondContact O-CB 3.43Å; E571-R574 PolarHBondContact O-N 3.1Å; E571-R574 WeakPolarHBondContact OE1-CD 3.26Å; E571-R574 IonicContact OE1-CZ 2.69Å; E571-R574 IonicContact OE1-NE 3.69Å; E571-R574 IonicContact OE1-NH1 2.71Å; E571-R574 PolarHBondContact OE1-NH1 3.14Å; E571-R574 IonicContact OE2-CZ 2.67Å; E571-R574 IonicContact OE2-NE 3.67Å; E571-R574 IonicContact OE2-NH1 2.75Å; E571-R574 PolarHBondContact OE2-NH1 2.95Å; E571-D575 PolarHBondContact O-N 3.08Å
572	R	88.5	Confident	89.3	Confident	109 Å²	109	88 Å²	88	41%	0.411	39%	0.393	S	S	.	.	H	α-helix	trans	-56.2	-51.1	170.3	-75.2	-168.8	-71.7	-135.5	5.2	111	R568 E569 R574 D575 D576	R568-R572 WeakPolarHBondContact O-CG 3.22Å; R568-R572 PolarHBondContact O-N 3.03Å; E569-R572 WeakPolarHBondContact O-CB 3.47Å; E569-R572 PolarHBondContact O-N 2.9Å; E569-R572 IonicContact OE2-CZ 3.93Å; E569-R572 IonicContact OE2-NE 2.7Å; E569-R572 PolarHBondContact OE2-NE 3.21Å; E569-R572 IonicContact OE2-NH2 2.67Å; E569-R572 PolarHBondContact OE2-NH2 2.85Å; R572-R574 VanDerWaalsContact C-N 3.28Å; R572-R574 PolarHBondContact O-N 3.19Å; R572-D575 PolarHBondContact O-N 2.92Å; R572-D576 WeakPolarHBondContact O-CB 3.3Å; R572-D576 VanDerWaalsContact O-CG 3.24Å; R572-D576 PolarHBondContact O-N 2.64Å
573	Q	88.4	Confident	89.5	Confident	109 Å²	109	88.8 Å²	88.8	51%	0.509	40%	0.397	S	S	.	.	H	α-helix	trans	-60.2	-36.6	177.3	-68.4	170.7	10.1	0	0	112.4	E569 E571 A577	E569-Q573 WeakPolarHBondContact O-CG 3.47Å; E569-Q573 PolarHBondContact O-N 3.31Å; E569-Q573 PolarHBondContact OE1-NE2 3.03Å; E571-Q573 PolarHBondContact O-N 2.92Å; Q573-A577 VanDerWaalsContact O-CB 3.23Å; Q573-A577 WeakPolarHBondContact O-CB 3.33Å; Q573-A577 PolarHBondContact O-N 3.26Å
574	R	90.8	Very high	89.5	Confident	84 Å²	84	85 Å²	85	32%	0.317	38%	0.379	S	S	.	.	H	α-helix	trans	-68.5	-44.9	174.6	-178.2	-169.8	-77.8	175.8	-16.5	112.2	R570 E571 R572 A577 R578	R570-R574 WeakPolarHBondContact O-CB 3.34Å; R570-R574 PolarHBondContact O-N 3.5Å; E571-R574 VanDerWaalsContact CD-NH1 3.31Å; E571-R574 WeakPolarHBondContact O-CB 3.43Å; E571-R574 PolarHBondContact O-N 3.1Å; E571-R574 WeakPolarHBondContact OE1-CD 3.26Å; E571-R574 IonicContact OE1-CZ 2.69Å; E571-R574 IonicContact OE1-NE 3.69Å; E571-R574 IonicContact OE1-NH1 2.71Å; E571-R574 PolarHBondContact OE1-NH1 3.14Å; E571-R574 IonicContact OE2-CZ 2.67Å; E571-R574 IonicContact OE2-NE 3.67Å; E571-R574 IonicContact OE2-NH1 2.75Å; E571-R574 PolarHBondContact OE2-NH1 2.95Å; R572-R574 VanDerWaalsContact C-N 3.28Å; R572-R574 PolarHBondContact O-N 3.19Å; R574-A577 PolarHBondContact O-N 3.22Å; R574-R578 WeakPolarHBondContact O-CB 3.42Å; R574-R578 VanDerWaalsContact O-CG 3.26Å; R574-R578 WeakPolarHBondContact O-CG 3.39Å; R574-R578 PolarHBondContact O-N 2.67Å
575	D	88.8	Confident	89.6	Confident	83 Å²	83	84.2 Å²	84.2	44%	0.444	38%	0.378	S	S	.	.	H	α-helix	trans	-69.1	-36.2	178.4	-89.1	-17.6	0	0	0	112.2	E571 R572 R578 R579	E571-D575 PolarHBondContact O-N 3.08Å; R572-D575 PolarHBondContact O-N 2.92Å; D575-R578 PolarHBondContact O-N 3.37Å; D575-R579 WeakPolarHBondContact O-CB 3.5Å; D575-R579 PolarHBondContact O-N 2.98Å
576	D	89	Confident	89.8	Confident	71 Å²	71	87.9 Å²	87.9	38%	0.38	40%	0.397	S	S	.	.	H	α-helix	trans	-66.2	-45.2	172.6	-69.5	-20.6	0	0	0	110.8	R572 R578 R579 M580	R572-D576 WeakPolarHBondContact O-CB 3.3Å; R572-D576 VanDerWaalsContact O-CG 3.24Å; R572-D576 PolarHBondContact O-N 2.64Å; D576-R578 VanDerWaalsContact C-N 3.33Å; D576-R578 PolarHBondContact O-N 3.29Å; D576-R579 WeakPolarHBondContact O-CB 3.35Å; D576-R579 PolarHBondContact O-N 2.66Å; D576-R579 VanDerWaalsContact O-N 3.13Å; D576-R579 IonicContact OD1-CZ 2.65Å; D576-R579 IonicContact OD1-NH1 2.71Å; D576-R579 PolarHBondContact OD1-NH1 3.12Å; D576-R579 IonicContact OD1-NH2 2.73Å; D576-R579 PolarHBondContact OD1-NH2 2.84Å; D576-M580 WeakPolarHBondContact O-CG 3.23Å; D576-M580 PolarHBondContact O-N 3.2Å
577	A	90.5	Very high	90	Very high	40 Å²	40	84 Å²	84	33%	0.331	38%	0.379	S	S	.	.	H	α-helix	trans	-61.7	-38.5	172.7	0	0	0	0	0	112.5	Q573 R574 R579 M580 R581	Q573-A577 VanDerWaalsContact O-CB 3.23Å; Q573-A577 WeakPolarHBondContact O-CB 3.33Å; Q573-A577 PolarHBondContact O-N 3.26Å; R574-A577 PolarHBondContact O-N 3.22Å; A577-R579 VanDerWaalsContact C-N 3.35Å; A577-M580 PolarHBondContact O-N 3.27Å; A577-R581 WeakPolarHBondContact O-CG 3.38Å; A577-R581 PolarHBondContact O-N 3.05Å
578	R	91.9	Very high	90	Very high	90 Å²	90	84.7 Å²	84.7	34%	0.34	38%	0.379	S	S	.	.	H	α-helix	trans	-68.1	-31.5	173.5	-77	171.3	165.8	-167.2	-9.8	112.4	R574 D575 D576 K582 E663	R574-R578 WeakPolarHBondContact O-CB 3.42Å; R574-R578 VanDerWaalsContact O-CG 3.26Å; R574-R578 WeakPolarHBondContact O-CG 3.39Å; R574-R578 PolarHBondContact O-N 2.67Å; D575-R578 PolarHBondContact O-N 3.37Å; D576-R578 VanDerWaalsContact C-N 3.33Å; D576-R578 PolarHBondContact O-N 3.29Å; R578-K582 WeakPolarHBondContact O-CG 3.4Å; R578-K582 PolarHBondContact O-N 2.87Å; R578-E663 IonicContact CZ-OE1 2.85Å; R578-E663 IonicContact CZ-OE2 3.27Å; R578-E663 IonicContact NE-OE1 3.68Å; R578-E663 PolarHBondContact NE-OE1 3.28Å; R578-E663 IonicContact NH2-OE1 2.77Å; R578-E663 PolarHBondContact NH2-OE1 3.35Å; R578-E663 IonicContact NH2-OE2 2.7Å; R578-E663 PolarHBondContact NH2-OE2 3.1Å
579	R	90.4	Very high	90.1	Very high	141 Å²	141	83 Å²	83	53%	0.532	38%	0.377	S	S	.	.	H	α-helix	trans	-69.9	-44.7	172.6	-162.5	-175.3	-49.8	110.9	16.4	110.9	D575 D576 A577 K582 L583	D575-R579 WeakPolarHBondContact O-CB 3.5Å; D575-R579 PolarHBondContact O-N 2.98Å; D576-R579 WeakPolarHBondContact O-CB 3.35Å; D576-R579 PolarHBondContact O-N 2.66Å; D576-R579 VanDerWaalsContact O-N 3.13Å; D576-R579 IonicContact OD1-CZ 2.65Å; D576-R579 IonicContact OD1-NH1 2.71Å; D576-R579 PolarHBondContact OD1-NH1 3.12Å; D576-R579 IonicContact OD1-NH2 2.73Å; D576-R579 PolarHBondContact OD1-NH2 2.84Å; A577-R579 VanDerWaalsContact C-N 3.35Å; R579-K582 PolarHBondContact O-N 3.28Å; R579-L583 WeakPolarHBondContact O-CG 3.45Å; R579-L583 PolarHBondContact O-N 3Å; R579-L583 VanDerWaalsContact O-N 3.09Å
580	M	85.7	Confident	90.4	Very high	86 Å²	86	81 Å²	81	42%	0.424	37%	0.368	S	S	.	.	H	α-helix	trans	-59.5	-51.3	175	-69.7	-53.7	-60.4	0	0	111.3	D576 A577 K582 L583 E584 L619	D576-M580 WeakPolarHBondContact O-CG 3.23Å; D576-M580 PolarHBondContact O-N 3.2Å; A577-M580 PolarHBondContact O-N 3.27Å; M580-K582 PolarHBondContact O-N 3.39Å; M580-K582 VanDerWaalsContact O-N 3.12Å; M580-L583 CarbonylContact O-C 3.6Å; M580-L583 WeakPolarHBondContact O-CA 3.47Å; M580-L583 WeakPolarHBondContact O-CB 3.26Å; M580-L583 PolarHBondContact O-N 2.99Å; M580-L583 HydrophobicContact SD-CD1 4.24Å; M580-E584 WeakPolarHBondContact O-CG 3.47Å; M580-E584 PolarHBondContact O-N 2.69Å; M580-L619 HydrophobicContact CE-CD2 4.24Å
581	R	90.2	Very high	90.5	Very high	127 Å²	127	74.7 Å²	74.7	48%	0.479	34%	0.344	S	S	.	.	H	α-helix	trans	-54.5	-34.3	176.4	-72	177.5	-164.9	162	4.6	113.9	A577 E584 Q585	A577-R581 WeakPolarHBondContact O-CG 3.38Å; A577-R581 PolarHBondContact O-N 3.05Å; R581-E584 VanDerWaalsContact CA-OE2 3.3Å; R581-E584 WeakPolarHBondContact CA-OE2 3.43Å; R581-Q585 VanDerWaalsContact O-CB 3.26Å; R581-Q585 WeakPolarHBondContact O-CB 3.43Å; R581-Q585 PolarHBondContact O-N 2.66Å
582	K	92	Very high	90.6	Very high	139 Å²	139	75.2 Å²	75.2	60%	0.604	35%	0.352	S	S	*	.	H	α-helix	trans	-72	-36.9	174.6	-74.4	175.3	178.7	-178	0	112.7	R578 R579 M580 N586	R578-K582 WeakPolarHBondContact O-CG 3.4Å; R578-K582 PolarHBondContact O-N 2.87Å; R579-K582 PolarHBondContact O-N 3.28Å; M580-K582 PolarHBondContact O-N 3.39Å; M580-K582 VanDerWaalsContact O-N 3.12Å; K582-N586 WeakPolarHBondContact O-CB 3.38Å; K582-N586 PolarHBondContact O-N 3.2Å; K582-N586 PolarHBondContact O-ND2 3.42Å; K582-N586 PolarHBondContact O-OD1 3.07Å
583	L	92.2	Very high	90.6	Very high	49 Å²	49	76.4 Å²	76.4	26%	0.257	37%	0.367	S	S	.	.	H	α-helix	trans	-68	-40.3	173.5	-64.8	171.1	0	0	0	111.2	R579 M580 F587 L619	R579-L583 WeakPolarHBondContact O-CG 3.45Å; R579-L583 PolarHBondContact O-N 3Å; R579-L583 VanDerWaalsContact O-N 3.09Å; M580-L583 CarbonylContact O-C 3.6Å; M580-L583 WeakPolarHBondContact O-CA 3.47Å; M580-L583 WeakPolarHBondContact O-CB 3.26Å; M580-L583 PolarHBondContact O-N 2.99Å; M580-L583 HydrophobicContact SD-CD1 4.24Å; L583-F587 WeakPolarHBondContact O-CB 3.49Å; L583-F587 PolarHBondContact O-N 2.89Å; L583-F587 VanDerWaalsContact O-N 3.1Å; L583-L619 HydrophobicContact CB-CD2 3.59Å; L583-L619 HydrophobicContact CB-CG 4.14Å
584	E	92.3	Very high	90.5	Very high	47 Å²	47	72 Å²	72	22%	0.22	35%	0.348	C	S	.	.	H	α-helix	trans	-60.3	-50.3	171.7	-63.6	177	117.5	0	0	111.2	M580 R581 F587 C588 R627 L628	M580-E584 WeakPolarHBondContact O-CG 3.47Å; M580-E584 PolarHBondContact O-N 2.69Å; R581-E584 VanDerWaalsContact CA-OE2 3.3Å; R581-E584 WeakPolarHBondContact CA-OE2 3.43Å; E584-F587 WeakPolarHBondContact O-CB 3.45Å; E584-F587 PolarHBondContact O-N 3.16Å; E584-C588 PolarHBondContact O-N 3.45Å; E584-C588 PolarHBondContact O-SG 3.19Å; E584-R627 IonicContact OE1-CZ 3.81Å; E584-R627 IonicContact OE1-NH1 3.25Å; E584-R627 IonicContact OE1-NH2 2.68Å; E584-R627 PolarHBondContact OE1-NH2 3.01Å; E584-L628 HydrophobicContact CB-CD1 4.07Å; E584-L628 HydrophobicContact CB-CD2 4Å; E584-L628 HydrophobicContact CG-CD1 4.05Å; E584-L628 HydrophobicContact CG-CD2 4.11Å
585	Q	91.9	Very high	90.1	Very high	106 Å²	106	73.5 Å²	73.5	50%	0.495	37%	0.371	S	S	.	.	H	α-helix	trans	-58.7	-50.4	177.6	179	178.3	-9.2	0	0	111.8	R581 F587 C588 E589	R581-Q585 VanDerWaalsContact O-CB 3.26Å; R581-Q585 WeakPolarHBondContact O-CB 3.43Å; R581-Q585 PolarHBondContact O-N 2.66Å; Q585-F587 PolarHBondContact O-N 3.32Å; Q585-C588 PolarHBondContact O-N 3.39Å; Q585-C588 VanDerWaalsContact O-N 3.14Å; Q585-E589 HydrophobicContact CG-CG 4.32Å; Q585-E589 VanDerWaalsContact CG-OE1 3.31Å; Q585-E589 WeakPolarHBondContact CG-OE1 3.4Å; Q585-E589 PolarHBondContact NE2-OE1 2.86Å; Q585-E589 WeakPolarHBondContact O-CB 3.36Å; Q585-E589 WeakPolarHBondContact O-CG 3.25Å; Q585-E589 PolarHBondContact O-N 3.31Å
586	N	92.9	Very high	90	Very high	77 Å²	77	72.7 Å²	72.7	41%	0.412	36%	0.364	S	S	.	.	H	α-helix	trans	-57.3	-35	177.9	-69.6	-11.7	0	0	0	111.9	K582 M590 A615	K582-N586 WeakPolarHBondContact O-CB 3.38Å; K582-N586 PolarHBondContact O-N 3.2Å; K582-N586 PolarHBondContact O-ND2 3.42Å; K582-N586 PolarHBondContact O-OD1 3.07Å; N586-M590 WeakPolarHBondContact O-CB 3.5Å; N586-M590 PolarHBondContact O-N 2.72Å; N586-A615 HydrophobicContact CB-CB 4.02Å; N586-A615 VanDerWaalsContact O-CB 3.25Å; N586-A615 WeakPolarHBondContact O-CB 3.42Å
587	F	93.2	Very high	89.9	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-73	-43.3	177.2	-174.7	-89.5	0	0	0	111.7	L583 E584 Q585 M590 L591 W603 F616 L619 R625 L628	L583-F587 WeakPolarHBondContact O-CB 3.49Å; L583-F587 PolarHBondContact O-N 2.89Å; L583-F587 VanDerWaalsContact O-N 3.1Å; E584-F587 WeakPolarHBondContact O-CB 3.45Å; E584-F587 PolarHBondContact O-N 3.16Å; Q585-F587 PolarHBondContact O-N 3.32Å; F587-M590 HydrophobicContact CD1-CE 4.49Å; F587-M590 HydrophobicContact CD2-CE 3.48Å; F587-M590 VanDerWaalsContact CD2-CE 3.48Å; F587-M590 HydrophobicContact CE1-CE 4.49Å; F587-M590 HydrophobicContact CE2-CE 3.48Å; F587-M590 VanDerWaalsContact CE2-CE 3.48Å; F587-M590 HydrophobicContact CG-CE 4.02Å; F587-M590 HydrophobicContact CZ-CE 4Å; F587-M590 WeakPolarHBondContact O-CB 3.19Å; F587-M590 PolarHBondContact O-N 3.44Å; F587-L591 HydrophobicContact CD1-CD1 4.05Å; F587-L591 HydrophobicContact CD1-CG 4.36Å; F587-L591 HydrophobicContact CE1-CD1 3.72Å; F587-L591 HydrophobicContact CE1-CD2 4.46Å; F587-L591 HydrophobicContact CE1-CG 4.16Å; F587-L591 WeakPolarHBondContact O-CG 3.49Å; F587-L591 PolarHBondContact O-N 3.44Å; F587-W603 AromaticContact CZ-CH2 3.88Å; F587-W603 HydrophobicContact CZ-CH2 3.88Å; F587-W603 HydrophobicContact CZ-CZ3 4.08Å; F587-F616 AromaticContact CE2-CD2 3.9Å; F587-F616 HydrophobicContact CE2-CD2 3.9Å; F587-F616 HydrophobicContact CE2-CE2 4.49Å; F587-F616 HydrophobicContact CE2-CG 4.47Å; F587-L619 HydrophobicContact CB-CD1 3.66Å; F587-L619 HydrophobicContact CD1-CD1 4.3Å; F587-L619 HydrophobicContact CD2-CD1 3.81Å; F587-L619 HydrophobicContact CG-CD1 3.67Å; F587-R625 HydrophobicContact CD2-CG 4.49Å; F587-R625 HydrophobicContact CE1-CB 4.47Å; F587-R625 WeakPolarHBondContact CE1-O 3.44Å; F587-R625 HydrophobicContact CE2-CB 3.84Å; F587-R625 HydrophobicContact CE2-CG 3.77Å; F587-R625 HydrophobicContact CZ-CB 3.64Å; F587-R625 HydrophobicContact CZ-CG 4.12Å; F587-R625 WeakPolarHBondContact CZ-O 2.88Å; F587-L628 HydrophobicContact CB-CD1 4.17Å; F587-L628 HydrophobicContact CD1-CB 3.65Å; F587-L628 HydrophobicContact CD1-CD1 3.65Å; F587-L628 HydrophobicContact CD1-CG 4.34Å; F587-L628 HydrophobicContact CE1-CB 3.75Å; F587-L628 HydrophobicContact CE1-CD1 4.32Å; F587-L628 HydrophobicContact CG-CD1 4.1Å
588	C	90.8	Very high	89.3	Confident	38 Å²	38	73 Å²	73	26%	0.257	36%	0.357	S	S	.	.	H	α-helix	trans	-66.1	-36.6	174.4	-67.2	0	0	0	0	112.7	E584 Q585 L591 T592	E584-C588 PolarHBondContact O-N 3.45Å; E584-C588 PolarHBondContact O-SG 3.19Å; Q585-C588 PolarHBondContact O-N 3.39Å; Q585-C588 VanDerWaalsContact O-N 3.14Å; C588-L591 PolarHBondContact O-N 3.43Å; C588-T592 WeakPolarHBondContact O-CB 3.13Å; C588-T592 PolarHBondContact O-N 2.9Å; C588-T592 PolarHBondContact O-OG1 3.17Å
589	E	90.1	Very high	88.9	Confident	88 Å²	88	70.9 Å²	70.9	41%	0.411	36%	0.355	S	S	.	.	H	α-helix	trans	-64.7	-38.8	172	-74.2	177.3	-168.3	0	0	111.6	Q585 T592 N593	Q585-E589 HydrophobicContact CG-CG 4.32Å; Q585-E589 VanDerWaalsContact CG-OE1 3.31Å; Q585-E589 WeakPolarHBondContact CG-OE1 3.4Å; Q585-E589 PolarHBondContact NE2-OE1 2.86Å; Q585-E589 WeakPolarHBondContact O-CB 3.36Å; Q585-E589 WeakPolarHBondContact O-CG 3.25Å; Q585-E589 PolarHBondContact O-N 3.31Å; E589-T592 PolarHBondContact O-N 3.21Å; E589-N593 WeakPolarHBondContact O-CB 3.49Å; E589-N593 PolarHBondContact O-N 2.87Å; E589-N593 PolarHBondContact O-ND2 3.12Å
590	M	91.8	Very high	88.7	Confident	7 Å²	7	71 Å²	71	3%	0.034	37%	0.367	C	S	.	.	H	α-helix	trans	-60.7	-44	171.7	171.7	-161.6	75.3	0	0	111.8	N586 F587 S594 L610 H613 A615 F616	N586-M590 WeakPolarHBondContact O-CB 3.5Å; N586-M590 PolarHBondContact O-N 2.72Å; F587-M590 HydrophobicContact CD1-CE 4.49Å; F587-M590 HydrophobicContact CD2-CE 3.48Å; F587-M590 VanDerWaalsContact CD2-CE 3.48Å; F587-M590 HydrophobicContact CE1-CE 4.49Å; F587-M590 HydrophobicContact CE2-CE 3.48Å; F587-M590 VanDerWaalsContact CE2-CE 3.48Å; F587-M590 HydrophobicContact CG-CE 4.02Å; F587-M590 HydrophobicContact CZ-CE 4Å; F587-M590 WeakPolarHBondContact O-CB 3.19Å; F587-M590 PolarHBondContact O-N 3.44Å; M590-S594 WeakPolarHBondContact O-CB 3.48Å; M590-S594 PolarHBondContact O-N 3.26Å; M590-S594 PolarHBondContact O-OG 2.95Å; M590-L610 HydrophobicContact CE-CB 4.37Å; M590-L610 HydrophobicContact CE-CD1 3.88Å; M590-L610 HydrophobicContact CG-CD1 4.08Å; M590-L610 HydrophobicContact SD-CB 4.14Å; M590-L610 HydrophobicContact SD-CD1 4.18Å; M590-H613 HydrophobicContact CG-CB 4.41Å; M590-H613 VanDerWaalsContact CG-ND1 3.25Å; M590-H613 WeakPolarHBondContact CG-ND1 3.34Å; M590-H613 HydrophobicContact SD-CB 3.76Å; M590-H613 PolarHBondContact SD-ND1 2.82Å; M590-A615 HydrophobicContact CB-CB 4.03Å; M590-A615 HydrophobicContact SD-CB 4.08Å; M590-F616 HydrophobicContact CE-CB 4.31Å; M590-F616 HydrophobicContact CE-CD2 4.28Å; M590-F616 HydrophobicContact SD-CB 3.87Å
591	L	91.8	Very high	88.8	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-64.7	-41	174.9	-63.1	178	0	0	0	111.7	F587 C588 N593 S594 I597 V606 L610 F629 Y632	F587-L591 HydrophobicContact CD1-CD1 4.05Å; F587-L591 HydrophobicContact CD1-CG 4.36Å; F587-L591 HydrophobicContact CE1-CD1 3.72Å; F587-L591 HydrophobicContact CE1-CD2 4.46Å; F587-L591 HydrophobicContact CE1-CG 4.16Å; F587-L591 WeakPolarHBondContact O-CG 3.49Å; F587-L591 PolarHBondContact O-N 3.44Å; C588-L591 PolarHBondContact O-N 3.43Å; L591-N593 PolarHBondContact O-N 3.29Å; L591-S594 WeakPolarHBondContact O-CB 3.47Å; L591-S594 PolarHBondContact O-N 3.14Å; L591-S594 VanDerWaalsContact O-N 3.12Å; L591-I597 HydrophobicContact CB-CD1 4.18Å; L591-I597 HydrophobicContact CD2-CD1 3.57Å; L591-I597 HydrophobicContact CG-CD1 4.47Å; L591-V606 HydrophobicContact CD2-CG1 3.68Å; L591-L610 HydrophobicContact CD2-CD1 4.09Å; L591-F629 HydrophobicContact CD1-CB 4.34Å; L591-F629 HydrophobicContact CD1-CD2 4.28Å; L591-F629 HydrophobicContact CD2-CD2 4.26Å; L591-Y632 HydrophobicContact CB-CD1 3.71Å; L591-Y632 HydrophobicContact CB-CD2 4.27Å; L591-Y632 HydrophobicContact CB-CE1 3.8Å; L591-Y632 HydrophobicContact CB-CE2 4.37Å; L591-Y632 HydrophobicContact CB-CG 3.96Å; L591-Y632 HydrophobicContact CD1-CD1 3.95Å; L591-Y632 HydrophobicContact CD1-CG 3.89Å; L591-Y632 HydrophobicContact CG-CD1 4.4Å; L591-Y632 PolarHBondContact O-OH 2.77Å
592	T	89.3	Confident	88.7	Confident	88 Å²	88	63.7 Å²	63.7	54%	0.54	34%	0.343	S	S	.	.	H	α-helix	trans	-64.9	-38.9	-179.8	-54.6	0	0	0	0	112.6	C588 E589 S594 Y632	C588-T592 WeakPolarHBondContact O-CB 3.13Å; C588-T592 PolarHBondContact O-N 2.9Å; C588-T592 PolarHBondContact O-OG1 3.17Å; E589-T592 PolarHBondContact O-N 3.21Å; T592-S594 VanDerWaalsContact C-N 3.25Å; T592-S594 PolarHBondContact O-N 3.43Å; T592-Y632 WeakPolarHBondContact CA-OH 3.41Å; T592-Y632 WeakPolarHBondContact OG1-CE2 3.48Å
593	N	89	Confident	88.7	Confident	134 Å²	134	58.9 Å²	58.9	72%	0.717	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-7.8	175.7	-69.5	-54.3	0	0	0	113.5	E589 L591 S595	E589-N593 WeakPolarHBondContact O-CB 3.49Å; E589-N593 PolarHBondContact O-N 2.87Å; E589-N593 PolarHBondContact O-ND2 3.12Å; L591-N593 PolarHBondContact O-N 3.29Å; N593-S595 PolarHBondContact O-N 2.86Å
594	S	86.6	Confident	88.6	Confident	16 Å²	16	64 Å²	64	11%	0.112	34%	0.344	C	S	.	.			trans	-90.2	85.1	-177.5	-66.7	0	0	0	0	111.5	M590 L591 T592 F596 I597 L610	M590-S594 WeakPolarHBondContact O-CB 3.48Å; M590-S594 PolarHBondContact O-N 3.26Å; M590-S594 PolarHBondContact O-OG 2.95Å; L591-S594 WeakPolarHBondContact O-CB 3.47Å; L591-S594 PolarHBondContact O-N 3.14Å; L591-S594 VanDerWaalsContact O-N 3.12Å; T592-S594 VanDerWaalsContact C-N 3.25Å; T592-S594 PolarHBondContact O-N 3.43Å; S594-F596 PolarHBondContact O-N 2.91Å; S594-I597 PolarHBondContact O-N 3.43Å; S594-L610 WeakPolarHBondContact OG-CD1 3.44Å
595	S	81	Confident	88.4	Confident	116 Å²	116	65.2 Å²	65.2	81%	0.811	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-11.7	-174.3	60	0	0	0	0	116.7	N593	N593-S595 PolarHBondContact O-N 2.86Å
596	F	87.1	Confident	88.3	Confident	66 Å²	66	60.2 Å²	60.2	29%	0.289	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-13.3	174.2	73.6	-94.9	0	0	0	113.7	S594 Q598 T601 V606 K609 L610	S594-F596 PolarHBondContact O-N 2.91Å; F596-Q598 PolarHBondContact O-N 2.86Å; F596-T601 HydrophobicContact CD2-CG2 4.49Å; F596-T601 HydrophobicContact CE2-CG2 4.45Å; F596-V606 HydrophobicContact CE2-CG2 4.02Å; F596-K609 HydrophobicContact CD1-CD 4.24Å; F596-K609 HydrophobicContact CD2-CD 3.73Å; F596-K609 HydrophobicContact CE1-CB 4.01Å; F596-K609 HydrophobicContact CE1-CD 4.01Å; F596-K609 HydrophobicContact CE2-CB 4.34Å; F596-K609 HydrophobicContact CE2-CD 3.47Å; F596-K609 VanDerWaalsContact CE2-CD 3.47Å; F596-K609 HydrophobicContact CG-CD 4.12Å; F596-K609 HydrophobicContact CZ-CB 3.68Å; F596-K609 HydrophobicContact CZ-CD 3.62Å; F596-K609 HydrophobicContact CZ-CG 4.3Å; F596-L610 HydrophobicContact CE1-CD2 4.15Å; F596-L610 HydrophobicContact CE1-CG 4.32Å; F596-L610 HydrophobicContact CZ-CD1 4.25Å; F596-L610 HydrophobicContact CZ-CD2 4.41Å; F596-L610 HydrophobicContact CZ-CG 4.08Å
597	I	86.1	Confident	88.1	Confident	5 Å²	5	62.7 Å²	62.7	3%	0.026	33%	0.329	C	S	.	.			trans	-80.7	122.2	-178.6	-53.5	-177.1	0	0	0	109	L591 S594 V606 L610 F629 Y632 I633 I636	L591-I597 HydrophobicContact CB-CD1 4.18Å; L591-I597 HydrophobicContact CD2-CD1 3.57Å; L591-I597 HydrophobicContact CG-CD1 4.47Å; S594-I597 PolarHBondContact O-N 3.43Å; I597-V606 HydrophobicContact CD1-CG1 4.1Å; I597-V606 HydrophobicContact CD1-CG2 3.92Å; I597-V606 HydrophobicContact CG1-CG2 4.04Å; I597-L610 HydrophobicContact CD1-CD1 4.36Å; I597-F629 HydrophobicContact CG2-CE2 4.21Å; I597-Y632 HydrophobicContact CB-CE1 4.32Å; I597-Y632 HydrophobicContact CG2-CD1 4.28Å; I597-Y632 HydrophobicContact CG2-CE1 3.83Å; I597-I633 HydrophobicContact CG2-CD1 3.91Å; I597-I636 HydrophobicContact CG2-CD1 4.39Å
598	Q	79.8	Confident	87.9	Confident	113 Å²	113	69.6 Å²	69.6	53%	0.528	36%	0.362	S	S	.	.			trans	-125.4	168	174.3	-59.5	-65.5	-76.6	0	0	107.8	F596 N600 T601 I633	F596-Q598 PolarHBondContact O-N 2.86Å; Q598-N600 WeakPolarHBondContact CB-OD1 3.37Å; Q598-N600 PolarHBondContact O-N 2.82Å; Q598-N600 VanDerWaalsContact O-N 3.08Å; Q598-T601 PolarHBondContact N-OG1 3.39Å; Q598-T601 WeakPolarHBondContact O-CB 3.35Å; Q598-T601 PolarHBondContact O-N 3.43Å; Q598-T601 PolarHBondContact O-OG1 3.13Å; Q598-T601 VanDerWaalsContact O-OG1 3.12Å; Q598-I633 VanDerWaalsContact O-CD1 3.3Å; Q598-I633 WeakPolarHBondContact O-CD1 3.44Å
599	S	83.2	Confident	87.8	Confident	45 Å²	45	73 Å²	73	32%	0.315	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-12.7	-176	47.6	0	0	0	0	115.3	D637	S599-D637 VanDerWaalsContact CB-CG 3.48Å; S599-D637 WeakPolarHBondContact CB-OD1 3.49Å; S599-D637 PolarHBondContact OG-OD1 2.76Å
600	N	85.5	Confident	87.7	Confident	144 Å²	144	69.6 Å²	69.6	77%	0.77	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	1	172.2	71	-26.4	0	0	0	114.7	Q598	Q598-N600 WeakPolarHBondContact CB-OD1 3.37Å; Q598-N600 PolarHBondContact O-N 2.82Å; Q598-N600 VanDerWaalsContact O-N 3.08Å
601	T	87.4	Confident	87.6	Confident	14 Å²	14	71.8 Å²	71.8	9%	0.086	37%	0.373	C	S	.	.			trans	-69.2	137.1	-179.3	-55	0	0	0	0	111.1	F596 Q598 E605 V606 F629	F596-T601 HydrophobicContact CD2-CG2 4.49Å; F596-T601 HydrophobicContact CE2-CG2 4.45Å; Q598-T601 PolarHBondContact N-OG1 3.39Å; Q598-T601 WeakPolarHBondContact O-CB 3.35Å; Q598-T601 PolarHBondContact O-N 3.43Å; Q598-T601 PolarHBondContact O-OG1 3.13Å; Q598-T601 VanDerWaalsContact O-OG1 3.12Å; T601-E605 HydrophobicContact CG2-CB 4.11Å; T601-V606 HydrophobicContact CG2-CG2 3.77Å; T601-F629 WeakPolarHBondContact O-CZ 3.21Å
602	S	89.5	Confident	87.4	Confident	46 Å²	46	77.8 Å²	77.8	32%	0.322	41%	0.405	S	S	.	.			trans	-78.4	155.1	177.5	68.2	0	0	0	0	112.8	E604 E605 V606	S602-E604 PolarHBondContact O-N 3.26Å; S602-E605 WeakPolarHBondContact CB-OE1 3.37Å; S602-E605 PolarHBondContact N-OE1 2.98Å; S602-E605 PolarHBondContact O-N 2.95Å; S602-E605 VanDerWaalsContact OG-CG 3.28Å; S602-E605 WeakPolarHBondContact OG-CG 3.41Å; S602-E605 PolarHBondContact OG-N 2.93Å; S602-E605 PolarHBondContact OG-OE1 3.29Å; S602-V606 WeakPolarHBondContact O-CG2 3.37Å; S602-V606 PolarHBondContact O-N 2.83Å
603	W	91.1	Very high	87.4	Confident	38 Å²	38	77.3 Å²	77.3	14%	0.144	40%	0.396	C	S	.	.	H	α-helix	trans	-60	-32.9	170.9	174.4	-118.1	0	0	0	111.7	F587 V606 R607 F616 E622 R625 I626 F629	F587-W603 AromaticContact CZ-CH2 3.88Å; F587-W603 HydrophobicContact CZ-CH2 3.88Å; F587-W603 HydrophobicContact CZ-CZ3 4.08Å; W603-V606 HydrophobicContact CE3-CB 4.18Å; W603-V606 HydrophobicContact CE3-CG1 4.15Å; W603-V606 HydrophobicContact CZ3-CB 4.34Å; W603-V606 HydrophobicContact CZ3-CG1 3.83Å; W603-V606 PolarHBondContact O-N 2.68Å; W603-R607 HydrophobicContact CD2-CB 4.46Å; W603-R607 HydrophobicContact CZ2-CB 4.26Å; W603-R607 WeakPolarHBondContact O-CB 3.43Å; W603-R607 PolarHBondContact O-N 2.79Å; W603-F616 HydrophobicContact CH2-CD2 4.39Å; W603-F616 AromaticContact CH2-CE2 3.51Å; W603-F616 HydrophobicContact CH2-CE2 3.51Å; W603-F616 HydrophobicContact CH2-CZ 4.17Å; W603-F616 AromaticContact CZ2-CE2 3.9Å; W603-F616 HydrophobicContact CZ2-CE2 3.9Å; W603-F616 HydrophobicContact CZ2-CZ 4.1Å; W603-F616 HydrophobicContact CZ3-CE2 4.47Å; W603-E622 PolarHBondContact NE1-OE1 2.9Å; W603-R625 HydrophobicContact CH2-CB 3.63Å; W603-R625 HydrophobicContact CZ2-CB 3.8Å; W603-I626 HydrophobicContact CD2-CG1 3.99Å; W603-I626 HydrophobicContact CG-CG1 4.11Å; W603-I626 HydrophobicContact CZ2-CG1 4.09Å; W603-F629 HydrophobicContact CB-CD1 4.04Å; W603-F629 HydrophobicContact CB-CE1 3.93Å; W603-F629 HydrophobicContact CD2-CD1 4.26Å; W603-F629 HydrophobicContact CE3-CB 3.67Å; W603-F629 AromaticContact CE3-CD1 3.55Å; W603-F629 HydrophobicContact CE3-CD1 3.55Å; W603-F629 HydrophobicContact CE3-CD2 4.16Å; W603-F629 HydrophobicContact CE3-CE1 4.25Å; W603-F629 AromaticContact CE3-CG 3.49Å; W603-F629 HydrophobicContact CE3-CG 3.49Å; W603-F629 VanDerWaalsContact CE3-CG 3.49Å; W603-F629 HydrophobicContact CG-CD1 4.49Å; W603-F629 HydrophobicContact CZ3-CB 3.7Å; W603-F629 HydrophobicContact CZ3-CD1 4.42Å; W603-F629 HydrophobicContact CZ3-CD2 4.43Å; W603-F629 AromaticContact CZ3-CG 3.92Å; W603-F629 HydrophobicContact CZ3-CG 3.92Å
604	E	89.9	Confident	87.5	Confident	157 Å²	157	75.6 Å²	75.6	73%	0.734	39%	0.392	S	S	*	.	H	α-helix	trans	-66.7	-42.2	-176.3	-60.8	-175.6	167.9	0	0	111.8	S602 R607 E608	S602-E604 PolarHBondContact O-N 3.26Å; E604-R607 PolarHBondContact O-N 2.97Å; E604-E608 WeakPolarHBondContact O-CB 3.36Å; E604-E608 PolarHBondContact O-N 3.04Å
605	E	88.1	Confident	87.7	Confident	72 Å²	72	75.4 Å²	75.4	34%	0.336	39%	0.392	S	S	.	.	H	α-helix	trans	-63.5	-41	173.1	-70.7	165.1	-94.8	0	0	113.2	T601 S602 K609	T601-E605 HydrophobicContact CG2-CB 4.11Å; S602-E605 WeakPolarHBondContact CB-OE1 3.37Å; S602-E605 PolarHBondContact N-OE1 2.98Å; S602-E605 PolarHBondContact O-N 2.95Å; S602-E605 VanDerWaalsContact OG-CG 3.28Å; S602-E605 WeakPolarHBondContact OG-CG 3.41Å; S602-E605 PolarHBondContact OG-N 2.93Å; S602-E605 PolarHBondContact OG-OE1 3.29Å; E605-K609 WeakPolarHBondContact O-CB 3.29Å; E605-K609 WeakPolarHBondContact O-CD 3.23Å; E605-K609 VanDerWaalsContact O-CG 3.32Å; E605-K609 WeakPolarHBondContact O-CG 3.48Å; E605-K609 PolarHBondContact O-N 3.46Å; E605-K609 IonicContact OE2-NZ 2.69Å
606	V	89	Confident	88.3	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-67.5	-43	178.9	175.8	0	0	0	0	110	L591 F596 I597 T601 S602 W603 L610 F629	L591-V606 HydrophobicContact CD2-CG1 3.68Å; F596-V606 HydrophobicContact CE2-CG2 4.02Å; I597-V606 HydrophobicContact CD1-CG1 4.1Å; I597-V606 HydrophobicContact CD1-CG2 3.92Å; I597-V606 HydrophobicContact CG1-CG2 4.04Å; T601-V606 HydrophobicContact CG2-CG2 3.77Å; S602-V606 WeakPolarHBondContact O-CG2 3.37Å; S602-V606 PolarHBondContact O-N 2.83Å; W603-V606 HydrophobicContact CE3-CB 4.18Å; W603-V606 HydrophobicContact CE3-CG1 4.15Å; W603-V606 HydrophobicContact CZ3-CB 4.34Å; W603-V606 HydrophobicContact CZ3-CG1 3.83Å; W603-V606 PolarHBondContact O-N 2.68Å; V606-L610 HydrophobicContact CG1-CD1 3.84Å; V606-L610 VanDerWaalsContact O-CB 3.28Å; V606-L610 WeakPolarHBondContact O-CB 3.5Å; V606-L610 PolarHBondContact O-N 3.41Å; V606-F629 HydrophobicContact CB-CE2 4.38Å; V606-F629 HydrophobicContact CG1-CD2 4.31Å; V606-F629 HydrophobicContact CG1-CE2 4.47Å; V606-F629 HydrophobicContact CG2-CD2 4.29Å; V606-F629 HydrophobicContact CG2-CE2 3.65Å; V606-F629 HydrophobicContact CG2-CZ 4.06Å
607	R	90.6	Very high	88.4	Confident	129 Å²	129	72.6 Å²	72.6	49%	0.487	37%	0.365	S	S	.	.	H	α-helix	trans	-61.4	-45	175.8	-179.8	-180	-161	-101.9	-1	112	W603 E604 S611 F616 E622	W603-R607 HydrophobicContact CD2-CB 4.46Å; W603-R607 HydrophobicContact CZ2-CB 4.26Å; W603-R607 WeakPolarHBondContact O-CB 3.43Å; W603-R607 PolarHBondContact O-N 2.79Å; E604-R607 PolarHBondContact O-N 2.97Å; R607-S611 WeakPolarHBondContact O-CA 3.38Å; R607-S611 WeakPolarHBondContact O-CB 3.46Å; R607-S611 PolarHBondContact O-N 2.88Å; R607-F616 HydrophobicContact CG-CZ 4.09Å; R607-E622 WeakPolarHBondContact CD-OE1 3.4Å; R607-E622 IonicContact CZ-OE1 3.61Å; R607-E622 IonicContact NE-OE1 2.72Å; R607-E622 PolarHBondContact NE-OE1 3.47Å; R607-E622 IonicContact NH2-OE1 3.64Å
608	E	88.2	Confident	88.5	Confident	145 Å²	145	74 Å²	74	68%	0.678	38%	0.38	S	S	*	.	H	α-helix	trans	-60.2	-58.3	175.5	-175.3	178.6	-152.5	0	0	110.6	E604 L610 S611	E604-E608 WeakPolarHBondContact O-CB 3.36Å; E604-E608 PolarHBondContact O-N 3.04Å; E608-L610 PolarHBondContact O-N 2.87Å; E608-S611 PolarHBondContact O-OG 2.74Å
609	K	87.6	Confident	88.9	Confident	109 Å²	109	68.8 Å²	68.8	47%	0.474	36%	0.356	S	S	.	.	H	α-helix	trans	-69	-28.4	-172.2	-67.6	163.9	-173.5	161	0	114.5	F596 E605	F596-K609 HydrophobicContact CD1-CD 4.24Å; F596-K609 HydrophobicContact CD2-CD 3.73Å; F596-K609 HydrophobicContact CE1-CB 4.01Å; F596-K609 HydrophobicContact CE1-CD 4.01Å; F596-K609 HydrophobicContact CE2-CB 4.34Å; F596-K609 HydrophobicContact CE2-CD 3.47Å; F596-K609 VanDerWaalsContact CE2-CD 3.47Å; F596-K609 HydrophobicContact CG-CD 4.12Å; F596-K609 HydrophobicContact CZ-CB 3.68Å; F596-K609 HydrophobicContact CZ-CD 3.62Å; F596-K609 HydrophobicContact CZ-CG 4.3Å; E605-K609 WeakPolarHBondContact O-CB 3.29Å; E605-K609 WeakPolarHBondContact O-CD 3.23Å; E605-K609 VanDerWaalsContact O-CG 3.32Å; E605-K609 WeakPolarHBondContact O-CG 3.48Å; E605-K609 PolarHBondContact O-N 3.46Å; E605-K609 IonicContact OE2-NZ 2.69Å
610	L	89.5	Confident	89.1	Confident	18 Å²	18	71.8 Å²	71.8	9%	0.094	38%	0.377	C	S	.	.	H	α-helix	trans	-111.3	-0.3	-175.9	-56.1	179.9	0	0	0	114.4	M590 L591 S594 F596 I597 V606 E608 D612 H613 F616	M590-L610 HydrophobicContact CE-CB 4.37Å; M590-L610 HydrophobicContact CE-CD1 3.88Å; M590-L610 HydrophobicContact CG-CD1 4.08Å; M590-L610 HydrophobicContact SD-CB 4.14Å; M590-L610 HydrophobicContact SD-CD1 4.18Å; L591-L610 HydrophobicContact CD2-CD1 4.09Å; S594-L610 WeakPolarHBondContact OG-CD1 3.44Å; F596-L610 HydrophobicContact CE1-CD2 4.15Å; F596-L610 HydrophobicContact CE1-CG 4.32Å; F596-L610 HydrophobicContact CZ-CD1 4.25Å; F596-L610 HydrophobicContact CZ-CD2 4.41Å; F596-L610 HydrophobicContact CZ-CG 4.08Å; I597-L610 HydrophobicContact CD1-CD1 4.36Å; V606-L610 HydrophobicContact CG1-CD1 3.84Å; V606-L610 VanDerWaalsContact O-CB 3.28Å; V606-L610 WeakPolarHBondContact O-CB 3.5Å; V606-L610 PolarHBondContact O-N 3.41Å; E608-L610 PolarHBondContact O-N 2.87Å; L610-D612 PolarHBondContact O-N 3.22Å; L610-H613 WeakPolarHBondContact O-CB 3.46Å; L610-H613 PolarHBondContact O-N 3.3Å; L610-F616 HydrophobicContact CB-CD2 4.26Å; L610-F616 WeakPolarHBondContact O-CB 3.5Å; L610-F616 WeakPolarHBondContact O-CG 3.39Å
611	S	88.8	Confident	89.3	Confident	53 Å²	53	69.8 Å²	69.8	37%	0.371	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.5	-39.1	177.1	50.2	0	0	0	0	113.9	R607 E608 K617	R607-S611 WeakPolarHBondContact O-CA 3.38Å; R607-S611 WeakPolarHBondContact O-CB 3.46Å; R607-S611 PolarHBondContact O-N 2.88Å; E608-S611 PolarHBondContact O-OG 2.74Å; S611-K617 WeakPolarHBondContact O-CE 3.45Å
612	D	88	Confident	89.4	Confident	125 Å²	125	71.4 Å²	71.4	67%	0.668	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-16	-176.9	-100.5	-40.6	0	0	0	115.1	L610 K617	L610-D612 PolarHBondContact O-N 3.22Å; D612-K617 WeakPolarHBondContact O-CE 3.25Å; D612-K617 PolarHBondContact O-NZ 2.94Å; D612-K617 IonicContact OD1-NZ 3.63Å; D612-K617 PolarHBondContact OD1-NZ 3.49Å
613	H	90.3	Very high	89.5	Confident	79 Å²	79	72.3 Å²	72.3	37%	0.366	38%	0.379	S	S	.	.	S	Bend	trans	-69	139.1	-171.7	-169.9	-98.9	0	0	0	112.3	M590 L610 A615 F616 K617	M590-H613 HydrophobicContact CG-CB 4.41Å; M590-H613 VanDerWaalsContact CG-ND1 3.25Å; M590-H613 WeakPolarHBondContact CG-ND1 3.34Å; M590-H613 HydrophobicContact SD-CB 3.76Å; M590-H613 PolarHBondContact SD-ND1 2.82Å; L610-H613 WeakPolarHBondContact O-CB 3.46Å; L610-H613 PolarHBondContact O-N 3.3Å; H613-A615 VanDerWaalsContact C-N 3.27Å; H613-A615 WeakPolarHBondContact ND1-CB 3.39Å; H613-A615 PolarHBondContact ND1-N 2.93Å; H613-A615 PolarHBondContact O-N 3.1Å; H613-F616 HydrophobicContact CB-CB 4.35Å; H613-F616 WeakPolarHBondContact O-CB 3.35Å; H613-F616 PolarHBondContact O-N 3.32Å; H613-K617 PolarHBondContact O-N 3.28Å
614	P	90.9	Very high	89.5	Confident	97 Å²	97	72.9 Å²	72.9	63%	0.63	38%	0.383	S	S	*	.	H	α-helix	trans	-58.9	-33	-177.1	20.9	-34.1	0	0	0	114.1	G618	P614-G618 PolarHBondContact O-N 3.06Å
615	A	91.1	Very high	89.7	Confident	13 Å²	13	67.1 Å²	67.1	11%	0.107	36%	0.355	C	S	.	.	H	α-helix	trans	-70.6	-35	175.6	0	0	0	0	0	113	N586 M590 H613 G618	N586-A615 HydrophobicContact CB-CB 4.02Å; N586-A615 VanDerWaalsContact O-CB 3.25Å; N586-A615 WeakPolarHBondContact O-CB 3.42Å; M590-A615 HydrophobicContact CB-CB 4.03Å; M590-A615 HydrophobicContact SD-CB 4.08Å; H613-A615 VanDerWaalsContact C-N 3.27Å; H613-A615 WeakPolarHBondContact ND1-CB 3.39Å; H613-A615 PolarHBondContact ND1-N 2.93Å; H613-A615 PolarHBondContact O-N 3.1Å; A615-G618 PolarHBondContact O-N 2.93Å
616	F	91.8	Very high	89.9	Confident	10 Å²	10	66.1 Å²	66.1	4%	0.044	35%	0.351	C	S	.	.	H	α-helix	trans	-64.3	-47.3	174.2	-170.4	-80.9	0	0	0	110.4	F587 M590 W603 R607 L610 H613 G618 L619 R625	F587-F616 AromaticContact CE2-CD2 3.9Å; F587-F616 HydrophobicContact CE2-CD2 3.9Å; F587-F616 HydrophobicContact CE2-CE2 4.49Å; F587-F616 HydrophobicContact CE2-CG 4.47Å; M590-F616 HydrophobicContact CE-CB 4.31Å; M590-F616 HydrophobicContact CE-CD2 4.28Å; M590-F616 HydrophobicContact SD-CB 3.87Å; W603-F616 HydrophobicContact CH2-CD2 4.39Å; W603-F616 AromaticContact CH2-CE2 3.51Å; W603-F616 HydrophobicContact CH2-CE2 3.51Å; W603-F616 HydrophobicContact CH2-CZ 4.17Å; W603-F616 AromaticContact CZ2-CE2 3.9Å; W603-F616 HydrophobicContact CZ2-CE2 3.9Å; W603-F616 HydrophobicContact CZ2-CZ 4.1Å; W603-F616 HydrophobicContact CZ3-CE2 4.47Å; R607-F616 HydrophobicContact CG-CZ 4.09Å; L610-F616 HydrophobicContact CB-CD2 4.26Å; L610-F616 WeakPolarHBondContact O-CB 3.5Å; L610-F616 WeakPolarHBondContact O-CG 3.39Å; H613-F616 HydrophobicContact CB-CB 4.35Å; H613-F616 WeakPolarHBondContact O-CB 3.35Å; H613-F616 PolarHBondContact O-N 3.32Å; F616-G618 VanDerWaalsContact C-N 3.31Å; F616-G618 PolarHBondContact O-N 3.09Å; F616-L619 VanDerWaalsContact O-O 3.13Å; F616-R625 VanDerWaalsContact CE1-CZ 3.5Å; F616-R625 VanDerWaalsContact CE1-NH1 3.32Å; F616-R625 PolarHBondContact O-NE 3.04Å; F616-R625 PolarHBondContact O-NH2 2.7Å; F616-R625 VanDerWaalsContact O-NH2 3.09Å
617	K	90	Very high	90.2	Very high	112 Å²	112	70.3 Å²	70.3	49%	0.487	37%	0.367	S	S	.	.	H	α-helix	trans	-67.2	-27.5	176.4	-70.4	170.2	176.5	160.8	0	113.4	S611 D612 H613	S611-K617 WeakPolarHBondContact O-CE 3.45Å; D612-K617 WeakPolarHBondContact O-CE 3.25Å; D612-K617 PolarHBondContact O-NZ 2.94Å; D612-K617 IonicContact OD1-NZ 3.63Å; D612-K617 PolarHBondContact OD1-NZ 3.49Å; H613-K617 PolarHBondContact O-N 3.28Å
618	G	87.7	Confident	90.2	Very high	34 Å²	34	64.4 Å²	64.4	35%	0.351	35%	0.345	S	S	.	.	H	α-helix	trans	-69.3	-31.3	-178.8	0	0	0	0	0	114.8	P614 A615 F616	P614-G618 PolarHBondContact O-N 3.06Å; A615-G618 PolarHBondContact O-N 2.93Å; F616-G618 VanDerWaalsContact C-N 3.31Å; F616-G618 PolarHBondContact O-N 3.09Å
619	L	89.3	Confident	90.4	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.021	32%	0.316	C	S	.	.			trans	-86.4	118.4	165.6	-71.4	172.1	0	0	0	108.8	M580 L583 F587 F616 R625 L628	M580-L619 HydrophobicContact CE-CD2 4.24Å; L583-L619 HydrophobicContact CB-CD2 3.59Å; L583-L619 HydrophobicContact CB-CG 4.14Å; F587-L619 HydrophobicContact CB-CD1 3.66Å; F587-L619 HydrophobicContact CD1-CD1 4.3Å; F587-L619 HydrophobicContact CD2-CD1 3.81Å; F587-L619 HydrophobicContact CG-CD1 3.67Å; F616-L619 VanDerWaalsContact O-O 3.13Å; L619-R625 HydrophobicContact CB-CG 4.07Å; L619-R625 HydrophobicContact CD1-CG 4.5Å; L619-R625 PolarHBondContact O-NE 3.14Å; L619-R625 PolarHBondContact O-NH2 2.67Å; L619-L628 HydrophobicContact CD1-CD1 3.4Å
620	S	86	Confident	90.6	Very high	108 Å²	108	59.1 Å²	59.1	76%	0.755	32%	0.32	S	S	*	.			trans	-79	-31.7	-178.5	53.8	0	0	0	0	113.7
621	L	89.9	Confident	90.7	Very high	102 Å²	102	63.5 Å²	63.5	53%	0.534	34%	0.34	S	S	.	.			trans	-87.3	115.5	-177	-71.8	168.6	0	0	0	111.3	S623 E624 R625	L621-S623 PolarHBondContact O-N 3.22Å; L621-E624 HydrophobicContact CB-CB 4.4Å; L621-E624 HydrophobicContact CB-CG 4Å; L621-E624 HydrophobicContact CD1-CG 4.3Å; L621-E624 PolarHBondContact O-N 2.84Å; L621-E624 VanDerWaalsContact O-N 3.1Å; L621-R625 PolarHBondContact O-N 3.46Å
622	E	90	Very high	90.8	Very high	49 Å²	49	62.7 Å²	62.7	23%	0.229	33%	0.329	C	S	.	.	H	α-helix	trans	-57.9	-31.1	174.2	-170.1	75.8	169.3	0	0	112.1	W603 R607 E624 R625 I626	W603-E622 PolarHBondContact NE1-OE1 2.9Å; R607-E622 WeakPolarHBondContact CD-OE1 3.4Å; R607-E622 IonicContact CZ-OE1 3.61Å; R607-E622 IonicContact NE-OE1 2.72Å; R607-E622 PolarHBondContact NE-OE1 3.47Å; R607-E622 IonicContact NH2-OE1 3.64Å; E622-E624 VanDerWaalsContact C-N 3.33Å; E622-E624 PolarHBondContact O-N 3.1Å; E622-R625 PolarHBondContact O-N 3.41Å; E622-R625 WeakPolarHBondContact OE2-CD 3.44Å; E622-R625 IonicContact OE2-CZ 3.95Å; E622-R625 IonicContact OE2-NE 2.7Å; E622-R625 IonicContact OE2-NH1 2.72Å; E622-R625 PolarHBondContact OE2-NH1 3.16Å; E622-I626 HydrophobicContact CG-CD1 3.94Å; E622-I626 HydrophobicContact CG-CG1 4.49Å; E622-I626 WeakPolarHBondContact O-CB 3.28Å; E622-I626 VanDerWaalsContact O-CG1 3.29Å; E622-I626 WeakPolarHBondContact O-CG1 3.39Å; E622-I626 PolarHBondContact O-N 3.37Å
623	S	92.2	Very high	90.9	Very high	65 Å²	65	57.7 Å²	57.7	46%	0.455	30%	0.302	S	S	.	.	H	α-helix	trans	-59.3	-41.5	175.1	59.9	0	0	0	0	112.7	L621 I626 R627	L621-S623 PolarHBondContact O-N 3.22Å; S623-I626 PolarHBondContact O-N 3.08Å; S623-R627 WeakPolarHBondContact O-CB 3.3Å; S623-R627 PolarHBondContact O-N 3.12Å
624	E	91	Very high	90.8	Very high	50 Å²	50	58.7 Å²	58.7	23%	0.234	31%	0.309	C	S	.	.	H	α-helix	trans	-73.8	-38.4	179.9	-60.9	-44.2	109.8	0	0	111.2	L621 E622 I626 R627 L628	L621-E624 HydrophobicContact CB-CB 4.4Å; L621-E624 HydrophobicContact CB-CG 4Å; L621-E624 HydrophobicContact CD1-CG 4.3Å; L621-E624 PolarHBondContact O-N 2.84Å; L621-E624 VanDerWaalsContact O-N 3.1Å; E622-E624 VanDerWaalsContact C-N 3.33Å; E622-E624 PolarHBondContact O-N 3.1Å; E624-I626 VanDerWaalsContact C-N 3.33Å; E624-I626 PolarHBondContact O-N 3.48Å; E624-R627 PolarHBondContact O-N 3.32Å; E624-R627 IonicContact OE2-CZ 3.56Å; E624-R627 VanDerWaalsContact OE2-CZ 3.27Å; E624-R627 IonicContact OE2-NE 3.03Å; E624-R627 PolarHBondContact OE2-NE 3.49Å; E624-R627 IonicContact OE2-NH2 2.63Å; E624-R627 PolarHBondContact OE2-NH2 3.04Å; E624-L628 WeakPolarHBondContact O-CB 3.43Å; E624-L628 VanDerWaalsContact O-CG 3.29Å; E624-L628 WeakPolarHBondContact O-CG 3.37Å; E624-L628 PolarHBondContact O-N 3.05Å
625	R	93.5	Very high	90.6	Very high	36 Å²	36	56.5 Å²	56.5	14%	0.136	30%	0.296	C	S	.	.	H	α-helix	trans	-57.1	-47.1	171.8	-59.6	-178.1	-171.7	149.7	-7.2	111.1	F587 W603 F616 L619 L621 E622 F629	F587-R625 HydrophobicContact CD2-CG 4.49Å; F587-R625 HydrophobicContact CE1-CB 4.47Å; F587-R625 WeakPolarHBondContact CE1-O 3.44Å; F587-R625 HydrophobicContact CE2-CB 3.84Å; F587-R625 HydrophobicContact CE2-CG 3.77Å; F587-R625 HydrophobicContact CZ-CB 3.64Å; F587-R625 HydrophobicContact CZ-CG 4.12Å; F587-R625 WeakPolarHBondContact CZ-O 2.88Å; W603-R625 HydrophobicContact CH2-CB 3.63Å; W603-R625 HydrophobicContact CZ2-CB 3.8Å; F616-R625 VanDerWaalsContact CE1-CZ 3.5Å; F616-R625 VanDerWaalsContact CE1-NH1 3.32Å; F616-R625 PolarHBondContact O-NE 3.04Å; F616-R625 PolarHBondContact O-NH2 2.7Å; F616-R625 VanDerWaalsContact O-NH2 3.09Å; L619-R625 HydrophobicContact CB-CG 4.07Å; L619-R625 HydrophobicContact CD1-CG 4.5Å; L619-R625 PolarHBondContact O-NE 3.14Å; L619-R625 PolarHBondContact O-NH2 2.67Å; L621-R625 PolarHBondContact O-N 3.46Å; E622-R625 PolarHBondContact O-N 3.41Å; E622-R625 WeakPolarHBondContact OE2-CD 3.44Å; E622-R625 IonicContact OE2-CZ 3.95Å; E622-R625 IonicContact OE2-NE 2.7Å; E622-R625 IonicContact OE2-NH1 2.72Å; E622-R625 PolarHBondContact OE2-NH1 3.16Å; R625-F629 VanDerWaalsContact O-CB 3.31Å; R625-F629 WeakPolarHBondContact O-CB 3.46Å; R625-F629 PolarHBondContact O-N 3.08Å
626	I	93	Very high	90.4	Very high	50 Å²	50	57.2 Å²	57.2	26%	0.256	30%	0.298	S	S	.	.	H	α-helix	trans	-65.1	-39.9	177.3	-69.6	166.4	0	0	0	111.6	W603 E622 S623 E624 K630	W603-I626 HydrophobicContact CD2-CG1 3.99Å; W603-I626 HydrophobicContact CG-CG1 4.11Å; W603-I626 HydrophobicContact CZ2-CG1 4.09Å; E622-I626 HydrophobicContact CG-CD1 3.94Å; E622-I626 HydrophobicContact CG-CG1 4.49Å; E622-I626 WeakPolarHBondContact O-CB 3.28Å; E622-I626 VanDerWaalsContact O-CG1 3.29Å; E622-I626 WeakPolarHBondContact O-CG1 3.39Å; E622-I626 PolarHBondContact O-N 3.37Å; S623-I626 PolarHBondContact O-N 3.08Å; E624-I626 VanDerWaalsContact C-N 3.33Å; E624-I626 PolarHBondContact O-N 3.48Å; I626-K630 HydrophobicContact CG2-CD 4.21Å; I626-K630 WeakPolarHBondContact O-CG 3.49Å; I626-K630 PolarHBondContact O-N 3.05Å
627	R	94	Very high	90	Very high	89 Å²	89	60 Å²	60	34%	0.336	31%	0.313	S	S	.	.	H	α-helix	trans	-62.1	-55	177.3	-179.7	-178.1	59.1	79.8	-6.8	111.1	E584 S623 E624 F629 K630 E631	E584-R627 IonicContact OE1-CZ 3.81Å; E584-R627 IonicContact OE1-NH1 3.25Å; E584-R627 IonicContact OE1-NH2 2.68Å; E584-R627 PolarHBondContact OE1-NH2 3.01Å; S623-R627 WeakPolarHBondContact O-CB 3.3Å; S623-R627 PolarHBondContact O-N 3.12Å; E624-R627 PolarHBondContact O-N 3.32Å; E624-R627 IonicContact OE2-CZ 3.56Å; E624-R627 VanDerWaalsContact OE2-CZ 3.27Å; E624-R627 IonicContact OE2-NE 3.03Å; E624-R627 PolarHBondContact OE2-NE 3.49Å; E624-R627 IonicContact OE2-NH2 2.63Å; E624-R627 PolarHBondContact OE2-NH2 3.04Å; R627-F629 VanDerWaalsContact C-N 3.26Å; R627-F629 PolarHBondContact O-N 3.05Å; R627-K630 PolarHBondContact O-N 3.46Å; R627-K630 VanDerWaalsContact O-N 3.15Å; R627-E631 IonicContact NH1-OE2 2.64Å; R627-E631 PolarHBondContact NH1-OE2 3.15Å; R627-E631 VanDerWaalsContact NH1-OE2 3.15Å; R627-E631 WeakPolarHBondContact O-CB 3.49Å; R627-E631 PolarHBondContact O-N 3.24Å
628	L	92.2	Very high	89.7	Confident	5 Å²	5	59 Å²	59	3%	0.026	31%	0.313	C	S	.	.	H	α-helix	trans	-61.1	-36.6	-179.7	-65.5	168.8	0	0	0	111.8	E584 F587 L619 E624 E631 Y632	E584-L628 HydrophobicContact CB-CD1 4.07Å; E584-L628 HydrophobicContact CB-CD2 4Å; E584-L628 HydrophobicContact CG-CD1 4.05Å; E584-L628 HydrophobicContact CG-CD2 4.11Å; F587-L628 HydrophobicContact CB-CD1 4.17Å; F587-L628 HydrophobicContact CD1-CB 3.65Å; F587-L628 HydrophobicContact CD1-CD1 3.65Å; F587-L628 HydrophobicContact CD1-CG 4.34Å; F587-L628 HydrophobicContact CE1-CB 3.75Å; F587-L628 HydrophobicContact CE1-CD1 4.32Å; F587-L628 HydrophobicContact CG-CD1 4.1Å; L619-L628 HydrophobicContact CD1-CD1 3.4Å; E624-L628 WeakPolarHBondContact O-CB 3.43Å; E624-L628 VanDerWaalsContact O-CG 3.29Å; E624-L628 WeakPolarHBondContact O-CG 3.37Å; E624-L628 PolarHBondContact O-N 3.05Å; L628-E631 PolarHBondContact O-N 3.27Å; L628-Y632 WeakPolarHBondContact O-CB 3.31Å; L628-Y632 PolarHBondContact O-N 3.43Å
629	F	92.4	Very high	89.2	Confident	12 Å²	12	61.2 Å²	61.2	5%	0.053	32%	0.323	C	S	.	.	H	α-helix	trans	-62.8	-46.7	173.6	172.2	-110.9	0	0	0	112.7	L591 I597 T601 W603 V606 R625 R627 E631 Y632 I633	L591-F629 HydrophobicContact CD1-CB 4.34Å; L591-F629 HydrophobicContact CD1-CD2 4.28Å; L591-F629 HydrophobicContact CD2-CD2 4.26Å; I597-F629 HydrophobicContact CG2-CE2 4.21Å; T601-F629 WeakPolarHBondContact O-CZ 3.21Å; W603-F629 HydrophobicContact CB-CD1 4.04Å; W603-F629 HydrophobicContact CB-CE1 3.93Å; W603-F629 HydrophobicContact CD2-CD1 4.26Å; W603-F629 HydrophobicContact CE3-CB 3.67Å; W603-F629 AromaticContact CE3-CD1 3.55Å; W603-F629 HydrophobicContact CE3-CD1 3.55Å; W603-F629 HydrophobicContact CE3-CD2 4.16Å; W603-F629 HydrophobicContact CE3-CE1 4.25Å; W603-F629 AromaticContact CE3-CG 3.49Å; W603-F629 HydrophobicContact CE3-CG 3.49Å; W603-F629 VanDerWaalsContact CE3-CG 3.49Å; W603-F629 HydrophobicContact CG-CD1 4.49Å; W603-F629 HydrophobicContact CZ3-CB 3.7Å; W603-F629 HydrophobicContact CZ3-CD1 4.42Å; W603-F629 HydrophobicContact CZ3-CD2 4.43Å; W603-F629 AromaticContact CZ3-CG 3.92Å; W603-F629 HydrophobicContact CZ3-CG 3.92Å; V606-F629 HydrophobicContact CB-CE2 4.38Å; V606-F629 HydrophobicContact CG1-CD2 4.31Å; V606-F629 HydrophobicContact CG1-CE2 4.47Å; V606-F629 HydrophobicContact CG2-CD2 4.29Å; V606-F629 HydrophobicContact CG2-CE2 3.65Å; V606-F629 HydrophobicContact CG2-CZ 4.06Å; R625-F629 VanDerWaalsContact O-CB 3.31Å; R625-F629 WeakPolarHBondContact O-CB 3.46Å; R625-F629 PolarHBondContact O-N 3.08Å; R627-F629 VanDerWaalsContact C-N 3.26Å; R627-F629 PolarHBondContact O-N 3.05Å; F629-E631 VanDerWaalsContact C-N 3.32Å; F629-E631 PolarHBondContact O-N 2.88Å; F629-Y632 PolarHBondContact O-N 2.7Å; F629-I633 HydrophobicContact CD2-CG1 4.18Å; F629-I633 HydrophobicContact CE1-CG1 4.08Å; F629-I633 HydrophobicContact CE2-CD1 3.7Å; F629-I633 HydrophobicContact CE2-CG1 3.58Å; F629-I633 HydrophobicContact CZ-CD1 3.76Å; F629-I633 HydrophobicContact CZ-CG1 3.53Å; F629-I633 WeakPolarHBondContact O-CG1 3.45Å; F629-I633 PolarHBondContact O-N 2.8Å
630	K	92.2	Very high	88	Confident	131 Å²	131	65.6 Å²	65.6	57%	0.57	35%	0.347	S	S	*	.	H	α-helix	trans	-62.6	-40.2	176.1	-73	175.3	178.2	-177.4	0	111.9	I626 R627 Y632 I633 I634	I626-K630 HydrophobicContact CG2-CD 4.21Å; I626-K630 WeakPolarHBondContact O-CG 3.49Å; I626-K630 PolarHBondContact O-N 3.05Å; R627-K630 PolarHBondContact O-N 3.46Å; R627-K630 VanDerWaalsContact O-N 3.15Å; K630-Y632 VanDerWaalsContact C-N 3.34Å; K630-I633 PolarHBondContact O-N 2.95Å; K630-I634 WeakPolarHBondContact O-CD1 3.41Å; K630-I634 VanDerWaalsContact O-CG1 3.28Å; K630-I634 WeakPolarHBondContact O-CG1 3.39Å; K630-I634 PolarHBondContact O-N 3.47Å
631	E	90.7	Very high	86.8	Confident	110 Å²	110	66.6 Å²	66.6	51%	0.514	34%	0.339	S	S	.	.	H	α-helix	trans	-62.5	-40.3	175.7	-164.8	168.1	173.4	0	0	111.4	R627 L628 F629 S635	R627-E631 IonicContact NH1-OE2 2.64Å; R627-E631 PolarHBondContact NH1-OE2 3.15Å; R627-E631 VanDerWaalsContact NH1-OE2 3.15Å; R627-E631 WeakPolarHBondContact O-CB 3.49Å; R627-E631 PolarHBondContact O-N 3.24Å; L628-E631 PolarHBondContact O-N 3.27Å; F629-E631 VanDerWaalsContact C-N 3.32Å; F629-E631 PolarHBondContact O-N 2.88Å; E631-S635 PolarHBondContact O-N 3.3Å; E631-S635 VanDerWaalsContact O-N 3.08Å
632	Y	90.9	Very high	85.3	Confident	35 Å²	35	66.9 Å²	66.9	14%	0.137	34%	0.342	C	S	.	.	H	α-helix	trans	-66.2	-44.5	174	179.8	-107.2	0	0	0	113.1	L591 T592 I597 L628 F629 K630 I634 S635 I636	L591-Y632 HydrophobicContact CB-CD1 3.71Å; L591-Y632 HydrophobicContact CB-CD2 4.27Å; L591-Y632 HydrophobicContact CB-CE1 3.8Å; L591-Y632 HydrophobicContact CB-CE2 4.37Å; L591-Y632 HydrophobicContact CB-CG 3.96Å; L591-Y632 HydrophobicContact CD1-CD1 3.95Å; L591-Y632 HydrophobicContact CD1-CG 3.89Å; L591-Y632 HydrophobicContact CG-CD1 4.4Å; L591-Y632 PolarHBondContact O-OH 2.77Å; T592-Y632 WeakPolarHBondContact CA-OH 3.41Å; T592-Y632 WeakPolarHBondContact OG1-CE2 3.48Å; I597-Y632 HydrophobicContact CB-CE1 4.32Å; I597-Y632 HydrophobicContact CG2-CD1 4.28Å; I597-Y632 HydrophobicContact CG2-CE1 3.83Å; L628-Y632 WeakPolarHBondContact O-CB 3.31Å; L628-Y632 PolarHBondContact O-N 3.43Å; F629-Y632 PolarHBondContact O-N 2.7Å; K630-Y632 VanDerWaalsContact C-N 3.34Å; Y632-I634 PolarHBondContact O-N 3.08Å; Y632-S635 WeakPolarHBondContact O-CA 3.19Å; Y632-S635 WeakPolarHBondContact O-CB 3.39Å; Y632-S635 PolarHBondContact O-N 3.08Å; Y632-S635 PolarHBondContact O-OG 2.57Å; Y632-I636 HydrophobicContact CD1-CD1 4.05Å; Y632-I636 HydrophobicContact CE1-CD1 3.46Å; Y632-I636 VanDerWaalsContact CE1-CD1 3.46Å; Y632-I636 HydrophobicContact CE1-CG1 4.28Å; Y632-I636 PolarHBondContact O-N 2.96Å
633	I	90.3	Very high	83.6	Confident	21 Å²	21	68.6 Å²	68.6	11%	0.108	36%	0.364	C	S	.	.	H	α-helix	trans	-59.9	-45.3	175.7	-67.3	-69	0	0	0	111.1	I597 Q598 F629 K630 S635 I636 D637	I597-I633 HydrophobicContact CG2-CD1 3.91Å; Q598-I633 VanDerWaalsContact O-CD1 3.3Å; Q598-I633 WeakPolarHBondContact O-CD1 3.44Å; F629-I633 HydrophobicContact CD2-CG1 4.18Å; F629-I633 HydrophobicContact CE1-CG1 4.08Å; F629-I633 HydrophobicContact CE2-CD1 3.7Å; F629-I633 HydrophobicContact CE2-CG1 3.58Å; F629-I633 HydrophobicContact CZ-CD1 3.76Å; F629-I633 HydrophobicContact CZ-CG1 3.53Å; F629-I633 WeakPolarHBondContact O-CG1 3.45Å; F629-I633 PolarHBondContact O-N 2.8Å; K630-I633 PolarHBondContact O-N 2.95Å; I633-S635 PolarHBondContact O-N 3.05Å; I633-I636 WeakPolarHBondContact O-CB 3.28Å; I633-I636 PolarHBondContact O-N 2.92Å; I633-D637 PolarHBondContact O-N 3.12Å
634	I	88.4	Confident	81.6	Confident	99 Å²	99	73.6 Å²	73.6	51%	0.508	38%	0.38	S	S	.	.	H	α-helix	trans	-59.2	-35.1	174.7	-68.2	163.8	0	0	0	111.3	K630 Y632 D637 N638	K630-I634 WeakPolarHBondContact O-CD1 3.41Å; K630-I634 VanDerWaalsContact O-CG1 3.28Å; K630-I634 WeakPolarHBondContact O-CG1 3.39Å; K630-I634 PolarHBondContact O-N 3.47Å; Y632-I634 PolarHBondContact O-N 3.08Å; I634-D637 PolarHBondContact O-N 3.49Å; I634-N638 WeakPolarHBondContact O-CB 3.4Å; I634-N638 VanDerWaalsContact O-CG 3.23Å; I634-N638 PolarHBondContact O-N 2.69Å; I634-N638 VanDerWaalsContact O-N 3.08Å; I634-N638 PolarHBondContact O-ND2 3.28Å; I634-N638 VanDerWaalsContact O-ND2 3.12Å
635	S	86.9	Confident	79.6	Confident	51 Å²	51	80.3 Å²	80.3	36%	0.357	40%	0.403	S	S	.	.	H	α-helix	trans	-69.2	-32.8	175.5	81.9	0	0	0	0	113.4	E631 Y632 I633 S639	E631-S635 PolarHBondContact O-N 3.3Å; E631-S635 VanDerWaalsContact O-N 3.08Å; Y632-S635 WeakPolarHBondContact O-CA 3.19Å; Y632-S635 WeakPolarHBondContact O-CB 3.39Å; Y632-S635 PolarHBondContact O-N 3.08Å; Y632-S635 PolarHBondContact O-OG 2.57Å; I633-S635 PolarHBondContact O-N 3.05Å; S635-S639 WeakPolarHBondContact O-CB 3.28Å; S635-S639 PolarHBondContact O-N 2.96Å; S635-S639 VanDerWaalsContact O-N 3.16Å; S635-S639 PolarHBondContact O-OG 3.2Å
636	I	85.2	Confident	77	Confident	28 Å²	28	83.7 Å²	83.7	14%	0.144	43%	0.432	C	S	.	.	H	α-helix	trans	-66.8	-49.1	172	-69.2	170.6	0	0	0	110.2	I597 Y632 I633 N638 S639 N640	I597-I636 HydrophobicContact CG2-CD1 4.39Å; Y632-I636 HydrophobicContact CD1-CD1 4.05Å; Y632-I636 HydrophobicContact CE1-CD1 3.46Å; Y632-I636 VanDerWaalsContact CE1-CD1 3.46Å; Y632-I636 HydrophobicContact CE1-CG1 4.28Å; Y632-I636 PolarHBondContact O-N 2.96Å; I633-I636 WeakPolarHBondContact O-CB 3.28Å; I633-I636 PolarHBondContact O-N 2.92Å; I636-N638 PolarHBondContact O-N 3.17Å; I636-S639 PolarHBondContact O-N 3.03Å; I636-N640 PolarHBondContact O-N 2.88Å; I636-N640 PolarHBondContact O-ND2 3.06Å
637	D	85	Confident	74.4	Confident	69 Å²	69	92.6 Å²	92.6	37%	0.369	46%	0.463	S	S	.	.	H	α-helix	trans	-60.5	-47.6	-178.3	-76.7	-40.5	0	0	0	112	S599 I633 I634 S639 N640 E641	S599-D637 VanDerWaalsContact CB-CG 3.48Å; S599-D637 WeakPolarHBondContact CB-OD1 3.49Å; S599-D637 PolarHBondContact OG-OD1 2.76Å; I633-D637 PolarHBondContact O-N 3.12Å; I634-D637 PolarHBondContact O-N 3.49Å; D637-S639 VanDerWaalsContact C-N 3.31Å; D637-S639 PolarHBondContact O-N 3Å; D637-N640 PolarHBondContact O-N 3.26Å; D637-N640 VanDerWaalsContact O-N 3.16Å; D637-E641 PolarHBondContact O-N 2.86Å
638	N	82.8	Confident	71.7	Confident	90 Å²	90	97 Å²	97	48%	0.481	48%	0.484	S	S	.	.	H	α-helix	trans	-59.4	-41.3	175.7	-68.1	-29	0	0	0	112	I634 I636 N640 E641 D642	I634-N638 WeakPolarHBondContact O-CB 3.4Å; I634-N638 VanDerWaalsContact O-CG 3.23Å; I634-N638 PolarHBondContact O-N 2.69Å; I634-N638 VanDerWaalsContact O-N 3.08Å; I634-N638 PolarHBondContact O-ND2 3.28Å; I634-N638 VanDerWaalsContact O-ND2 3.12Å; I636-N638 PolarHBondContact O-N 3.17Å; N638-N640 VanDerWaalsContact C-N 3.28Å; N638-N640 PolarHBondContact O-N 3.37Å; N638-E641 PolarHBondContact O-N 2.9Å; N638-D642 PolarHBondContact O-N 3.4Å
639	S	76.5	Confident	69.1	Low	81 Å²	81	103 Å²	103	57%	0.566	52%	0.517	S	S	*	.	H	α-helix	trans	-64.8	-32.4	178.4	-60.2	0	0	0	0	112.7	S635 I636 D637	S635-S639 WeakPolarHBondContact O-CB 3.28Å; S635-S639 PolarHBondContact O-N 2.96Å; S635-S639 VanDerWaalsContact O-N 3.16Å; S635-S639 PolarHBondContact O-OG 3.2Å; I636-S639 PolarHBondContact O-N 3.03Å; D637-S639 VanDerWaalsContact C-N 3.31Å; D637-S639 PolarHBondContact O-N 3Å
640	N	64.9	Low	66.7	Low	97 Å²	97	110.4 Å²	110.4	52%	0.519	55%	0.549	S	S	.	.	H	α-helix	trans	-75.1	-34.8	175.7	-71.9	-32.1	0	0	0	112.4	I636 D637 N638	I636-N640 PolarHBondContact O-N 2.88Å; I636-N640 PolarHBondContact O-ND2 3.06Å; D637-N640 PolarHBondContact O-N 3.26Å; D637-N640 VanDerWaalsContact O-N 3.16Å; N638-N640 VanDerWaalsContact C-N 3.28Å; N638-N640 PolarHBondContact O-N 3.37Å
641	E	61.7	Low	64.1	Low	128 Å²	128	112.4 Å²	112.4	60%	0.598	56%	0.56	S	S	*	*	H	α-helix	trans	-72	-44.4	174.6	-70.4	-146.3	154.9	0	0	113	D637 N638 A643 H644	D637-E641 PolarHBondContact O-N 2.86Å; N638-E641 PolarHBondContact O-N 2.9Å; E641-A643 PolarHBondContact O-N 3.08Å; E641-H644 PolarHBondContact O-N 3.12Å
642	D	57.8	Low	61.9	Low	108 Å²	108	113.9 Å²	113.9	58%	0.578	57%	0.571	S	S	*	*	H	α-helix	trans	-68.1	-22.6	-174.5	-87.1	-28.5	0	0	0	113.4	N638 H644 R645	N638-D642 PolarHBondContact O-N 3.4Å; D642-H644 PolarHBondContact O-N 3.01Å; D642-R645 PolarHBondContact O-N 3.45Å; D642-R645 VanDerWaalsContact O-N 3.1Å
643	A	53.3	Low	59.1	Low	86 Å²	86	118.3 Å²	118.3	71%	0.711	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.2	-21.7	172.9	0	0	0	0	0	113.7	E641	E641-A643 PolarHBondContact O-N 3.08Å
644	H	51.8	Low	56.5	Low	170 Å²	170	123.5 Å²	123.5	79%	0.787	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	0.4	-179.3	-75.8	-71.8	0	0	0	115.3	E641 D642	E641-H644 PolarHBondContact O-N 3.12Å; D642-H644 PolarHBondContact O-N 3.01Å
645	R	48.2	Very low	54.1	Low	190 Å²	190	129.8 Å²	129.8	72%	0.717	65%	0.646	S	S	*	*			trans	-113.5	91.9	-174.3	-73.6	-176.1	172.5	148.8	4.4	114.2	D642	D642-R645 PolarHBondContact O-N 3.45Å; D642-R645 VanDerWaalsContact O-N 3.1Å
646	S	38.9	Very low	51.9	Low	107 Å²	107	133 Å²	133	75%	0.748	67%	0.669	S	S	*	*			trans	-70.7	127.6	-179.4	-174.2	0	0	0	0	114.7
647	R	39	Very low	49.6	Very low	237 Å²	237	134.8 Å²	134.8	89%	0.894	69%	0.688	S	S	*	*	S	Bend	trans	43.5	74.2	146.5	-63.4	177.4	169	169.9	-2.9	118.5
648	K	37.3	Very low	47.4	Very low	181 Å²	181	134.8 Å²	134.8	79%	0.787	69%	0.693	S	S	*	*			trans	-167.5	145.5	130.3	-122.1	178	176.7	179.3	0	114.5
649	D	37.7	Very low	45.7	Very low	133 Å²	133	135.4 Å²	135.4	71%	0.711	70%	0.695	S	S	*	*			trans	63.5	174.3	165.3	-47.6	-38.7	0	0	0	117.2
650	K	42.2	Very low	44.3	Very low	167 Å²	167	138.6 Å²	138.6	73%	0.726	70%	0.702	S	S	*	*			trans	71	70.8	164.1	-55.5	168.7	-172	170.7	0	118.7	L652	K650-L652 HydrophobicContact CB-CD1 4.08Å; K650-L652 HydrophobicContact CB-CG 4.24Å; K650-L652 PolarHBondContact O-N 2.95Å
651	H	36.9	Very low	43.4	Very low	172 Å²	172	138 Å²	138	80%	0.796	70%	0.699	S	S	*	*				34.5	19.9	99.1	-134.4	-48.8	0	0	0	121.7
652	L	43.7	Very low	42.8	Very low	142 Å²	142	136.3 Å²	136.3	74%	0.743	70%	0.697	S	S	*	*			trans	-123.8	8	-167.8	-70.8	176.1	0	0	0	116.1	K650	K650-L652 HydrophobicContact CB-CD1 4.08Å; K650-L652 HydrophobicContact CB-CG 4.24Å; K650-L652 PolarHBondContact O-N 2.95Å
653	C	32.8	Very low	42.5	Very low	128 Å²	128	134.7 Å²	134.7	87%	0.865	69%	0.685	S	S	*	*	S	Bend	trans	-97.6	-3.9	-177.5	-154.8	0	0	0	0	115	R655	C653-R655 PolarHBondContact O-N 3Å
654	E	36.3	Very low	42.3	Very low	130 Å²	130	136.9 Å²	136.9	61%	0.607	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-82.9	-10.3	-175.9	-67.6	178.7	123.2	0	0	114.5	S656 A657 S658	E654-S656 PolarHBondContact O-N 3.15Å; E654-S656 VanDerWaalsContact O-N 3.11Å; E654-A657 PolarHBondContact O-N 3.05Å; E654-S658 WeakPolarHBondContact O-CB 3.1Å; E654-S658 PolarHBondContact O-N 3.35Å
655	R	36.5	Very low	42.2	Very low	230 Å²	230	134 Å²	134	87%	0.868	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-65.9	-20.7	-166.2	-165.7	165.2	-179.6	152.6	-0.1	114.8	C653	C653-R655 PolarHBondContact O-N 3Å
656	S	41	Very low	42.5	Very low	120 Å²	120	128.7 Å²	128.7	84%	0.839	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-93.5	-15.4	174.4	-53.8	0	0	0	0	113.9	E654	E654-S656 PolarHBondContact O-N 3.15Å; E654-S656 VanDerWaalsContact O-N 3.11Å
657	A	38	Very low	42.9	Very low	64 Å²	64	127.8 Å²	127.8	53%	0.529	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.6	-35.1	176.6	0	0	0	0	0	112.5	E654 I659 Q660	E654-A657 PolarHBondContact O-N 3.05Å; A657-I659 PolarHBondContact O-N 2.85Å; A657-Q660 PolarHBondContact O-N 2.93Å
658	S	38.4	Very low	43.4	Very low	70 Å²	70	118.6 Å²	118.6	49%	0.49	62%	0.619	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57.7	-16.4	-172.7	177.3	0	0	0	0	115.6	E654 Q660 D661	E654-S658 WeakPolarHBondContact O-CB 3.1Å; E654-S658 PolarHBondContact O-N 3.35Å; S658-Q660 PolarHBondContact O-N 3.24Å; S658-D661 PolarHBondContact O-N 2.91Å
659	I	47.2	Very low	44.1	Very low	102 Å²	102	117 Å²	117	52%	0.523	62%	0.616	S	S	.	*	H	α-helix	trans	-66.9	-23.5	175.5	-62.9	178.2	0	0	0	112.1	A657 D661 V662	A657-I659 PolarHBondContact O-N 2.85Å; I659-D661 PolarHBondContact O-N 2.91Å; I659-V662 PolarHBondContact O-N 3.46Å
660	Q	47.4	Very low	44.8	Very low	149 Å²	149	117.4 Å²	117.4	70%	0.696	61%	0.612	S	S	*	*	H	α-helix	trans	-73.8	-21.7	179.1	-66.5	-168.7	5.9	0	0	114.2	A657 S658	A657-Q660 PolarHBondContact O-N 2.93Å; S658-Q660 PolarHBondContact O-N 3.24Å
661	D	44.9	Very low	45	Very low	85 Å²	85	114.3 Å²	114.3	46%	0.455	60%	0.603	S	S	.	*	H	α-helix	trans	-83.8	-25.8	174.9	-72.5	-55.4	0	0	0	112.5	S658 I659 E663 K664 D665	S658-D661 PolarHBondContact O-N 2.91Å; I659-D661 PolarHBondContact O-N 2.91Å; D661-E663 PolarHBondContact O-N 3.49Å; D661-K664 WeakPolarHBondContact O-CB 3.29Å; D661-K664 PolarHBondContact O-N 3.44Å; D661-K664 WeakPolarHBondContact OD1-CE 3.49Å; D661-K664 IonicContact OD1-NZ 3.79Å; D661-K664 PolarHBondContact OD1-NZ 2.95Å; D661-D665 PolarHBondContact O-N 2.93Å
662	V	50.3	Low	45.7	Very low	92 Å²	92	112.5 Å²	112.5	56%	0.558	60%	0.595	S	S	*	*	H	α-helix	trans	-61.8	-29	168.9	-173.4	0	0	0	0	111.5	I659 K664	I659-V662 PolarHBondContact O-N 3.46Å; V662-K664 VanDerWaalsContact C-N 3.25Å; V662-K664 PolarHBondContact O-N 3.43Å
663	E	51.9	Low	46	Very low	73 Å²	73	114 Å²	114	34%	0.341	60%	0.596	S	S	.	*	H	α-helix	trans	-69.6	-17.7	172.5	-68.8	-158.3	145.4	0	0	113.5	R578 D661	R578-E663 IonicContact CZ-OE1 2.85Å; R578-E663 IonicContact CZ-OE2 3.27Å; R578-E663 IonicContact NE-OE1 3.68Å; R578-E663 PolarHBondContact NE-OE1 3.28Å; R578-E663 IonicContact NH2-OE1 2.77Å; R578-E663 PolarHBondContact NH2-OE1 3.35Å; R578-E663 IonicContact NH2-OE2 2.7Å; R578-E663 PolarHBondContact NH2-OE2 3.1Å; D661-E663 PolarHBondContact O-N 3.49Å
664	K	48.3	Very low	46.8	Very low	132 Å²	132	115.9 Å²	115.9	57%	0.574	59%	0.589	S	S	*	*	H	α-helix	trans	-87.4	-38.7	175.6	-63.5	172	-167.7	151.9	0	112.5	D661 V662 V666 D667 A668	D661-K664 WeakPolarHBondContact O-CB 3.29Å; D661-K664 PolarHBondContact O-N 3.44Å; D661-K664 WeakPolarHBondContact OD1-CE 3.49Å; D661-K664 IonicContact OD1-NZ 3.79Å; D661-K664 PolarHBondContact OD1-NZ 2.95Å; V662-K664 VanDerWaalsContact C-N 3.25Å; V662-K664 PolarHBondContact O-N 3.43Å; K664-V666 VanDerWaalsContact C-N 3.31Å; K664-V666 PolarHBondContact O-N 3.44Å; K664-D667 PolarHBondContact O-N 3.23Å; K664-A668 WeakPolarHBondContact O-CB 3.39Å; K664-A668 PolarHBondContact O-N 2.91Å
665	D	49.9	Very low	47.3	Very low	111 Å²	111	118.5 Å²	118.5	59%	0.594	60%	0.599	S	S	*	*	H	α-helix	trans	-64.5	-32.2	-175.2	-84	-22.2	0	0	0	113.5	D661 D667 A668 M669	D661-D665 PolarHBondContact O-N 2.93Å; D665-D667 PolarHBondContact O-N 2.95Å; D665-A668 PolarHBondContact O-N 3.09Å; D665-M669 WeakPolarHBondContact O-CB 3.44Å; D665-M669 PolarHBondContact O-N 3.04Å
666	V	53.5	Low	47.5	Very low	77 Å²	77	115.3 Å²	115.3	47%	0.467	59%	0.593	S	S	.	*	H	α-helix	trans	-67.3	-31.1	176.7	-82.8	0	0	0	0	114	K664	K664-V666 VanDerWaalsContact C-N 3.31Å; K664-V666 PolarHBondContact O-N 3.44Å
667	D	47.5	Very low	47.5	Very low	88 Å²	88	115.4 Å²	115.4	47%	0.471	59%	0.589	S	S	.	*	H	α-helix	trans	-86.5	-31.6	172.2	-80.6	-43.9	0	0	0	111.7	K664 D665 M669 K670 D671	K664-D667 PolarHBondContact O-N 3.23Å; D665-D667 PolarHBondContact O-N 2.95Å; D667-M669 PolarHBondContact O-N 3.39Å; D667-K670 VanDerWaalsContact O-CB 3.27Å; D667-K670 WeakPolarHBondContact O-CB 3.32Å; D667-K670 PolarHBondContact O-N 2.64Å; D667-K670 VanDerWaalsContact O-N 3.08Å; D667-D671 PolarHBondContact O-N 2.69Å; D667-D671 VanDerWaalsContact O-N 3.14Å
668	A	50.9	Low	47.5	Very low	44 Å²	44	118.5 Å²	118.5	36%	0.364	60%	0.601	S	S	.	*	H	α-helix	trans	-61	-43.3	172.3	0	0	0	0	0	112.6	K664 D665 K670 D671 Q672	K664-A668 WeakPolarHBondContact O-CB 3.39Å; K664-A668 PolarHBondContact O-N 2.91Å; D665-A668 PolarHBondContact O-N 3.09Å; A668-K670 PolarHBondContact O-N 2.74Å; A668-D671 PolarHBondContact O-N 3.06Å; A668-Q672 WeakPolarHBondContact O-CG 3.13Å; A668-Q672 PolarHBondContact O-N 3.3Å
669	M	52	Low	47.6	Very low	147 Å²	147	120.6 Å²	120.6	72%	0.724	62%	0.616	S	S	*	*	H	α-helix	trans	-59.9	-33.4	172.5	-91.4	-166.7	167	0	0	112.6	D665 D667 K673	D665-M669 WeakPolarHBondContact O-CB 3.44Å; D665-M669 PolarHBondContact O-N 3.04Å; D667-M669 PolarHBondContact O-N 3.39Å; M669-K673 WeakPolarHBondContact O-CB 3.44Å; M669-K673 PolarHBondContact O-N 3.47Å
670	K	50.6	Low	47.5	Very low	143 Å²	143	121.2 Å²	121.2	62%	0.622	63%	0.626	S	S	*	*	H	α-helix	trans	-70.9	-37.3	-178	-151.7	174.5	-172.8	176.1	0	112.1	D667 A668	D667-K670 VanDerWaalsContact O-CB 3.27Å; D667-K670 WeakPolarHBondContact O-CB 3.32Å; D667-K670 PolarHBondContact O-N 2.64Å; D667-K670 VanDerWaalsContact O-N 3.08Å; A668-K670 PolarHBondContact O-N 2.74Å
671	D	46.7	Very low	47.3	Very low	102 Å²	102	119.6 Å²	119.6	55%	0.545	63%	0.631	S	S	.	*	H	α-helix	trans	-81.4	-28.4	174.2	-90.1	-11.9	0	0	0	113.4	D667 A668 K674	D667-D671 PolarHBondContact O-N 2.69Å; D667-D671 VanDerWaalsContact O-N 3.14Å; A668-D671 PolarHBondContact O-N 3.06Å; D671-K674 PolarHBondContact O-N 2.94Å
672	Q	52.9	Low	47.2	Very low	134 Å²	134	121.8 Å²	121.8	63%	0.626	65%	0.65	S	S	*	*	H	α-helix	trans	-62.8	-43.8	168.3	-75.3	-170.9	11.7	0	0	111.4	A668 K674 K675	A668-Q672 WeakPolarHBondContact O-CG 3.13Å; A668-Q672 PolarHBondContact O-N 3.3Å; Q672-K674 PolarHBondContact O-N 3.26Å; Q672-K674 VanDerWaalsContact O-N 3.13Å; Q672-K675 PolarHBondContact O-N 3.38Å
673	K	50.1	Low	47.1	Very low	174 Å²	174	121.6 Å²	121.6	76%	0.757	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-16.8	178.8	-159.9	167.8	-174.7	176.6	0	113.7	M669	M669-K673 WeakPolarHBondContact O-CB 3.44Å; M669-K673 PolarHBondContact O-N 3.47Å
674	K	48.7	Very low	46.8	Very low	167 Å²	167	124.6 Å²	124.6	73%	0.726	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-5.1	171.2	-90.7	-179	176.2	173.8	0	115.2	D671 Q672	D671-K674 PolarHBondContact O-N 2.94Å; Q672-K674 PolarHBondContact O-N 3.26Å; Q672-K674 VanDerWaalsContact O-N 3.13Å
675	K	47.1	Very low	46.4	Very low	185 Å²	185	123.8 Å²	123.8	80%	0.804	70%	0.695	S	S	*	*	S	Bend	trans	-111.3	5.3	-179.1	-70.4	-177.8	178	174.8	0	114.3	Q672	Q672-K675 PolarHBondContact O-N 3.38Å
676	Q	40.7	Very low	46.1	Very low	162 Å²	162	126.4 Å²	126.4	76%	0.757	70%	0.704	S	S	*	*	S	Bend	trans	-113.5	43.4	-178.2	-70.5	-170.7	-23.5	0	0	113.9
677	T	40.7	Very low	45.6	Very low	123 Å²	123	130.5 Å²	130.5	76%	0.755	72%	0.718	S	S	*	*	S	Bend	trans	-138.5	31.9	171.8	64.1	0	0	0	0	114
678	V	37.6	Very low	45.4	Very low	129 Å²	129	130.4 Å²	130.4	78%	0.782	72%	0.724	S	S	*	*			trans	-140	83.4	165.5	-171.7	0	0	0	0	109.3
679	S	40.9	Very low	45	Very low	113 Å²	113	136.2 Å²	136.2	79%	0.79	74%	0.743	S	S	*	*			trans	-110.4	106.3	167.8	-63.5	0	0	0	0	108.3
680	P	44.9	Very low	44.5	Very low	115 Å²	115	134.4 Å²	134.4	75%	0.747	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-65	137.1	171.7	-18.2	31.9	0	0	0	110.3
681	S	43.8	Very low	44	Very low	115 Å²	115	138.2 Å²	138.2	80%	0.804	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-62.8	137.1	173.9	-59.3	0	0	0	0	110.9	A683	S681-A683 PolarHBondContact O-N 3.3Å
682	P	42.9	Very low	43.8	Very low	131 Å²	131	145.2 Å²	145.2	85%	0.851	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-76.5	122	-179.2	29.9	-33.4	0	0	0	111.4
683	A	47.8	Very low	43.3	Very low	88 Å²	88	143.6 Å²	143.6	73%	0.727	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-89.8	152.2	165.2	0	0	0	0	0	110.5	S681	S681-A683 PolarHBondContact O-N 3.3Å
684	P	45.4	Very low	43.2	Very low	137 Å²	137	142.6 Å²	142.6	89%	0.89	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-69.9	146.6	-176	-16.8	31.8	0	0	0	112.8
685	S	40.2	Very low	42.8	Very low	115 Å²	115	141.4 Å²	141.4	80%	0.804	78%	0.778	S	S	*	*			trans	-107.4	127.5	179.9	60.6	0	0	0	0	112.3
686	E	43.6	Very low	42.6	Very low	166 Å²	166	138.1 Å²	138.1	78%	0.776	77%	0.766	S	S	*	*			trans	-129.2	138.9	159.2	-71.7	-141.9	102.3	0	0	111.2
687	H	42.6	Very low	42.5	Very low	162 Å²	162	140.8 Å²	140.8	75%	0.75	77%	0.769	S	S	*	*			trans	31.3	127.8	142.1	-55.2	99.9	0	0	0	119.8
688	S	42.7	Very low	42.5	Very low	87 Å²	87	138.8 Å²	138.8	61%	0.608	77%	0.773	S	S	*	*			cis	-175.8	165.8	6.6	60.1	0	0	0	0	112.8
689	H	43.4	Very low	42.6	Very low	165 Å²	165	138 Å²	138	76%	0.764	77%	0.773	S	S	*	*			trans	49.3	140	146.3	-54.1	-26.8	0	0	0	121.5
690	T	41.8	Very low	42.6	Very low	110 Å²	110	137.4 Å²	137.4	68%	0.675	77%	0.768	S	S	*	*			cis	-168.5	149.3	1.1	14.7	0	0	0	0	112.9
691	R	40.2	Very low	42.4	Very low	223 Å²	223	140.8 Å²	140.8	84%	0.842	77%	0.774	S	S	*	*			trans	58.7	113.7	144.2	-61.4	167.7	-172.1	-157	2	121.3
692	R	42	Very low	42.3	Very low	249 Å²	249	145.5 Å²	145.5	94%	0.94	78%	0.78	S	S	*	*				-172.5	163.2	102.4	-96.5	170.1	-170.3	-99.8	2.7	110.2
693	S	43.4	Very low	42.2	Very low	100 Å²	100	150.7 Å²	150.7	70%	0.699	78%	0.783	S	S	*	*			trans	-131.1	179.6	-158.5	-47.2	0	0	0	0	114
694	D	46.3	Very low	41.7	Very low	152 Å²	152	155.1 Å²	155.1	81%	0.813	79%	0.786	S	S	*	*			trans	77.7	139.7	156.7	-45.1	-24	0	0	0	118.2
695	D	41.2	Very low	41.3	Very low	142 Å²	142	156.3 Å²	156.3	76%	0.759	78%	0.779	S	S	*	*			cis	-163.9	177.7	-28.9	-148.3	-19.3	0	0	0	111.2
696	E	41.8	Very low	41.2	Very low	117 Å²	117	161.1 Å²	161.1	55%	0.547	78%	0.78	S	S	.	*			trans	70.1	110.5	153.5	-71.8	-97.6	106.2	0	0	122.7
697	R	39.7	Very low	40.9	Very low	218 Å²	218	161.9 Å²	161.9	82%	0.823	78%	0.78	S	S	*	*			trans	63.4	140.8	135.5	-57.4	-175.8	-169.1	164.1	25.6	123
698	G	39.9	Very low	40.7	Very low	81 Å²	81	159.3 Å²	159.3	84%	0.835	78%	0.781	S	S	*	*			trans	158.6	95.1	156.5	0	0	0	0	0	116.2
699	S	40.5	Very low	40.6	Very low	113 Å²	113	164.9 Å²	164.9	79%	0.79	79%	0.794	S	S	*	*			trans	-79.8	148.6	-171.2	-162.6	0	0	0	0	116.5
700	S	40.6	Very low	40.4	Very low	99 Å²	99	167.1 Å²	167.1	69%	0.692	80%	0.801	S	S	*	*			trans	83.4	135.2	144.1	-69.2	0	0	0	0	123.8
701	Q	40.8	Very low	40.4	Very low	187 Å²	187	165.9 Å²	165.9	87%	0.874	80%	0.797	S	S	*	*			trans	61.1	124.1	152.2	-64.9	-177.1	11.1	0	0	119.9
702	K	41.9	Very low	40.4	Very low	213 Å²	213	164.1 Å²	164.1	93%	0.926	80%	0.796	S	S	*	*			trans	-131.6	141.9	168.8	-149.8	163.9	-169.5	169.1	0	111.9
703	R	40.1	Very low	40.4	Very low	241 Å²	241	159.8 Å²	159.8	91%	0.909	79%	0.786	S	S	*	*			trans	-110	165.4	-165.7	-64	167.2	86.7	179.9	7.2	113.3
704	K	37.1	Very low	40.2	Very low	181 Å²	181	165.3 Å²	165.3	79%	0.787	79%	0.791	S	S	*	*			trans	-52	149.2	-178.7	-59.1	173.8	174.6	178.9	0	117.3
705	H	37.8	Very low	39.9	Very low	161 Å²	161	167.6 Å²	167.6	75%	0.745	79%	0.794	S	S	*	*			trans	75.2	132.8	138.6	-65.5	-35.3	0	0	0	125.2
706	R	38.1	Very low	39.9	Very low	217 Å²	217	166 Å²	166	82%	0.819	79%	0.794	S	S	*	*			trans	77.8	119.6	133.6	-79.2	-179	169.9	-176.2	-1.3	123.4
707	K	36.3	Very low	39.8	Very low	182 Å²	182	169.7 Å²	169.7	79%	0.791	81%	0.808	S	S	*	*			trans	72.9	111	134.2	-77.6	-171.4	172.9	-176.1	0	122.2
708	S	39.9	Very low	39.9	Very low	108 Å²	108	168 Å²	168	76%	0.755	81%	0.809	S	S	*	*				119	129.8	108.7	73.8	0	0	0	0	122.5
709	K	38.9	Very low	40	Very low	203 Å²	203	172.1 Å²	172.1	88%	0.883	81%	0.807	S	S	*	*			trans	32.4	110.2	142.8	-60.4	-179.3	178.5	-179.5	0	121.8
710	K	40	Very low	39.8	Very low	212 Å²	212	175 Å²	175	92%	0.922	81%	0.805	S	S	*	*				-175	168.7	127.8	-139.5	166	-179.5	175.7	0	110.8
711	S	42.1	Very low	39.8	Very low	84 Å²	84	179.4 Å²	179.4	59%	0.587	81%	0.814	S	S	*	*				-157.6	149.4	-88.8	72.6	0	0	0	0	110.1
712	K	40.8	Very low	39.8	Very low	187 Å²	187	177.3 Å²	177.3	81%	0.813	80%	0.804	S	S	*	*			trans	86.1	143.2	152.7	-64.5	175.6	178	179.4	0	121.9
713	H	40.3	Very low	39.9	Very low	158 Å²	158	176 Å²	176	73%	0.731	80%	0.798	S	S	*	*			trans	78.6	154.1	158.1	-79.3	36.8	0	0	0	119.5
714	R	39.2	Very low	39.7	Very low	215 Å²	215	171 Å²	171	81%	0.811	79%	0.789	S	S	*	*			cis	-175.1	161	-42.1	-129.7	-179.9	171.2	-171.2	-5.1	109
715	K	41.2	Very low	39.9	Very low	201 Å²	201	168.1 Å²	168.1	87%	0.874	79%	0.787	S	S	*	*			trans	77.3	157.4	-179.2	-66.9	-174	174.6	-176.5	0	115.8
716	S	41.4	Very low	40.1	Very low	109 Å²	109	167.4 Å²	167.4	76%	0.762	79%	0.789	S	S	*	*			cis	-164.1	164.2	-30.6	51.1	0	0	0	0	111.6
717	K	38.9	Very low	40.2	Very low	193 Å²	193	166.9 Å²	166.9	84%	0.839	79%	0.792	S	S	*	*			trans	-65.8	146.1	-173.8	-58.5	175.8	175.2	-176.6	0	115.6
718	H	43.2	Very low	40.2	Very low	184 Å²	184	168.7 Å²	168.7	85%	0.852	79%	0.794	S	S	*	*			trans	-149.9	123.5	135.8	-104.1	-94.7	0	0	0	106.3
719	H	40.1	Very low	40.1	Very low	167 Å²	167	172.1 Å²	172.1	77%	0.773	80%	0.798	S	S	*	*				84.8	87.8	68.1	-104.2	80.9	0	0	0	115.8
720	K	36.6	Very low	40.2	Very low	174 Å²	174	170 Å²	170	76%	0.757	80%	0.797	S	S	*	*			trans	15.4	130.9	142.5	-139.6	179.4	-171.1	-175	0	119.1
721	H	41.8	Very low	40.1	Very low	191 Å²	191	169.4 Å²	169.4	88%	0.884	80%	0.797	S	S	*	*			trans	-148.8	132.7	138.1	-123.7	-80.5	0	0	0	110.7
722	H	40.9	Very low	40	Very low	143 Å²	143	174.1 Å²	174.1	66%	0.662	81%	0.81	S	S	*	*			trans	-84.6	156.1	164.4	-98.7	-106.7	0	0	0	109.6
723	K	42.5	Very low	40.2	Very low	186 Å²	186	172.9 Å²	172.9	81%	0.809	81%	0.812	S	S	*	*			trans	-145.7	116.8	154.7	-169.9	178.5	-177.7	-174.9	0	108.8
724	N	37	Very low	40.2	Very low	135 Å²	135	174.7 Å²	174.7	72%	0.722	82%	0.82	S	S	*	*			trans	-81.9	145.7	170.3	-64.2	9.8	0	0	0	109.2
725	T	41.9	Very low	40.4	Very low	120 Å²	120	174.2 Å²	174.2	74%	0.736	83%	0.827	S	S	*	*			trans	-150.7	126.7	158.7	44	0	0	0	0	107.9
726	D	40.6	Very low	40.3	Very low	146 Å²	146	168 Å²	168	78%	0.781	82%	0.82	S	S	*	*			trans	-58	139.7	178.8	-61.3	-104.1	0	0	0	113.4
727	K	40.4	Very low	40.3	Very low	206 Å²	206	173.2 Å²	173.2	90%	0.896	83%	0.832	S	S	*	*			trans	-141.3	125.8	137.9	-98.5	-174.3	174	-171.2	0	108
728	R	37.6	Very low	40.7	Very low	220 Å²	220	168.2 Å²	168.2	83%	0.83	83%	0.827	S	S	*	*			trans	-96.4	166.7	164.9	-66.2	-177.6	175.4	-156.8	-3.7	108.3
729	Q	36.8	Very low	40.7	Very low	180 Å²	180	163.7 Å²	163.7	84%	0.841	82%	0.822	S	S	*	*	S	Bend	trans	84.7	137.8	178	-55.9	170.7	-37	0	0	114.3
730	D	40.7	Very low	41.2	Very low	159 Å²	159	160.6 Å²	160.6	85%	0.85	81%	0.811	S	S	*	*			trans	72.8	42	166.5	-49.9	-13.9	0	0	0	119.3
731	E	37.6	Very low	42	Very low	200 Å²	200	159 Å²	159	94%	0.935	81%	0.811	S	S	*	*			trans	-131.8	64.8	160.3	-73.2	-173.9	178.5	0	0	112
732	E	41.2	Very low	42.4	Very low	183 Å²	183	157.2 Å²	157.2	86%	0.855	81%	0.807	S	S	*	*			trans	-102.5	155.3	148.3	-73.9	-169.9	146.3	0	0	108
733	L	44.1	Very low	42.9	Very low	161 Å²	161	156.6 Å²	156.6	84%	0.843	81%	0.809	S	S	*	*	S	Bend	trans	96.6	22	176.6	-51.5	171.1	0	0	0	119.4
734	E	41.1	Very low	43.3	Very low	196 Å²	196	155.8 Å²	155.8	92%	0.916	81%	0.808	S	S	*	*			trans	-140.7	48.8	163.9	-150.2	168.9	-160.7	0	0	115.8
735	E	44	Very low	43.7	Very low	204 Å²	204	157.2 Å²	157.2	95%	0.953	82%	0.816	S	S	*	*			trans	-130	137.6	157	-68.5	-170.4	144.9	0	0	109
736	G	39.2	Very low	43.9	Very low	70 Å²	70	159.4 Å²	159.4	72%	0.722	82%	0.823	S	S	*	*			cis	174.6	126.6	-8	0	0	0	0	0	109	A738	G736-A738 PolarHBondContact O-N 2.83Å
737	E	41.3	Very low	44.2	Very low	219 Å²	219	161.5 Å²	161.5	100%	1.023	83%	0.828	S	S	*	*			trans	-78.8	70.3	-176.9	-66.6	-172.4	139.4	0	0	111.9
738	A	46.4	Very low	44.2	Very low	89 Å²	89	156.6 Å²	156.6	74%	0.736	83%	0.826	S	S	*	*			trans	-90.2	147.8	161.3	0	0	0	0	0	109.7	G736 D740	G736-A738 PolarHBondContact O-N 2.83Å; A738-D740 PolarHBondContact O-N 3.07Å
739	A	44.2	Very low	44.4	Very low	89 Å²	89	150.9 Å²	150.9	74%	0.736	83%	0.826	S	S	*	*			trans	-68.6	128.3	-177.9	0	0	0	0	0	111.7	D741	A739-D741 PolarHBondContact O-N 3.33Å
740	D	49.8	Very low	44.4	Very low	102 Å²	102	149.2 Å²	149.2	55%	0.545	82%	0.823	S	S	.	*			trans	-68.9	105.4	149.5	-73.7	-32.6	0	0	0	105.6	R445 A738	R445-D740 IonicContact CZ-OD2 3.27Å; R445-D740 IonicContact NH1-OD2 3.95Å; R445-D740 PolarHBondContact NH1-OD2 2.89Å; R445-D740 IonicContact NH2-OD2 2.85Å; R445-D740 PolarHBondContact NH2-OD2 3.43Å; A738-D740 PolarHBondContact O-N 3.07Å
741	D	53.3	Low	44.6	Very low	140 Å²	140	147.4 Å²	147.4	75%	0.749	82%	0.82	S	S	*	*			trans	-66.1	160.4	162.3	-78.6	-42.6	0	0	0	109.4	A739 D743	A739-D741 PolarHBondContact O-N 3.33Å; D741-D743 PolarHBondContact O-N 2.69Å; D741-D743 VanDerWaalsContact O-N 3.08Å
742	D	49.9	Very low	44.7	Very low	153 Å²	153	145.7 Å²	145.7	82%	0.818	81%	0.812	S	S	*	*			trans	-68	102.5	-168.1	-55.9	-76.6	0	0	0	114.8	E744	D742-E744 PolarHBondContact O-N 2.86Å
743	D	50.5	Low	44.8	Very low	130 Å²	130	144.1 Å²	144.1	70%	0.695	82%	0.815	S	S	*	*			trans	-84.3	77.1	157.3	-72.1	-30	0	0	0	109.9	R442 D741	R442-D743 IonicContact NH2-OD2 2.94Å; R442-D743 PolarHBondContact NH2-OD2 2.72Å; D741-D743 PolarHBondContact O-N 2.69Å; D741-D743 VanDerWaalsContact O-N 3.08Å
744	E	51.3	Low	44.6	Very low	169 Å²	169	140.2 Å²	140.2	79%	0.79	81%	0.814	S	S	*	*			trans	-81.6	167.6	154.7	-65.2	-163.8	131.4	0	0	110	D742	D742-E744 PolarHBondContact O-N 2.86Å
745	D	47	Very low	44.6	Very low	165 Å²	165	136.5 Å²	136.5	88%	0.882	80%	0.8	S	S	*	*			trans	67.9	74.4	-179.1	-63.8	-26.4	0	0	0	118.3
746	D	45.9	Very low	44.4	Very low	166 Å²	166	137 Å²	137	89%	0.888	79%	0.793	S	S	*	*			trans	-153.4	50.6	157.4	-136	-8.3	0	0	0	114.3
747	E	45.5	Very low	44.4	Very low	191 Å²	191	138.1 Å²	138.1	89%	0.893	80%	0.796	S	S	*	*			trans	-138.4	50.9	-180	-97.8	-75.9	-162.3	0	0	112.1
748	A	40.7	Very low	44.4	Very low	102 Å²	102	133.8 Å²	133.8	84%	0.843	79%	0.79	S	S	*	*			trans	-154.1	42.5	-173.2	0	0	0	0	0	118.5
749	A	41.2	Very low	43.9	Very low	100 Å²	100	132.8 Å²	132.8	83%	0.826	79%	0.788	S	S	*	*			trans	-161	105.1	160.9	0	0	0	0	0	115.4
750	N	38.3	Very low	43.6	Very low	145 Å²	145	134.4 Å²	134.4	78%	0.775	79%	0.794	S	S	*	*			trans	-130.3	109	162.6	176.2	9.6	0	0	0	111
751	P	44.1	Very low	43	Very low	122 Å²	122	139.2 Å²	139.2	79%	0.792	81%	0.81	S	S	*	*			trans	-120.4	92.4	171.1	35.5	-20.7	0	0	0	112.2
752	Q	39.8	Very low	42.3	Very low	164 Å²	164	144.5 Å²	144.5	77%	0.766	82%	0.82	S	S	*	*			trans	-90.1	147.7	163.6	-81.7	-164.2	-24.2	0	0	112.3
753	T	43.5	Very low	41.7	Very low	149 Å²	149	145.5 Å²	145.5	91%	0.914	82%	0.819	S	S	*	*			trans	71.7	152.5	174.5	79	0	0	0	0	116.4
754	G	40.2	Very low	41.3	Very low	80 Å²	80	148.6 Å²	148.6	83%	0.825	83%	0.829	S	S	*	*			trans	138.7	19.8	168.4	0	0	0	0	0	119.8
755	D	40.7	Very low	40.7	Very low	118 Å²	118	147.6 Å²	147.6	63%	0.631	82%	0.824	S	S	*	*			trans	-16.2	145.8	171.2	-169.3	34.6	0	0	0	121.3
756	R	38.9	Very low	40.2	Very low	213 Å²	213	147.4 Å²	147.4	80%	0.804	82%	0.817	S	S	*	*			trans	71	109.6	159.4	-85.9	162.2	-174.4	127.2	-3.4	122.8
757	A	40.6	Very low	39.8	Very low	94 Å²	94	151.1 Å²	151.1	78%	0.777	82%	0.819	S	S	*	*				99.9	118.7	114	0	0	0	0	0	122.6
758	S	39.9	Very low	39.3	Very low	128 Å²	128	152.7 Å²	152.7	90%	0.895	82%	0.817	S	S	*	*			trans	64.7	112.4	136.3	179.8	0	0	0	0	121.6
759	G	36.3	Very low	39.3	Very low	69 Å²	69	151.6 Å²	151.6	71%	0.711	82%	0.816	S	S	*	*				143	114.1	121.9	0	0	0	0	0	119.6
760	S	38.8	Very low	39.3	Very low	123 Å²	123	154.3 Å²	154.3	86%	0.86	81%	0.811	S	S	*	*			trans	51.9	106.5	148.8	-75.8	0	0	0	0	122.3
761	K	36.5	Very low	39.3	Very low	203 Å²	203	159.6 Å²	159.6	88%	0.883	82%	0.82	S	S	*	*			trans	2.4	126	134.7	-63.2	172.8	176.7	175.1	0	117.8
762	R	39	Very low	39.2	Very low	251 Å²	251	158.4 Å²	158.4	95%	0.947	82%	0.815	S	S	*	*				-165.9	133.1	128.4	-116	168.1	172	176.3	-4.1	114
763	H	36.5	Very low	39.3	Very low	174 Å²	174	161.3 Å²	161.3	81%	0.806	82%	0.819	S	S	*	*			trans	-69.6	152	162.8	-66.7	-93.2	0	0	0	111
764	H	43.2	Very low	39.2	Very low	194 Å²	194	160 Å²	160	90%	0.898	81%	0.811	S	S	*	*			trans	-152.8	161.1	142.8	-114	53.8	0	0	0	112.4
765	H	38.4	Very low	39.6	Very low	148 Å²	148	160.5 Å²	160.5	69%	0.685	80%	0.802	S	S	*	*			trans	-101.3	157.6	-166.3	-88.1	-108.6	0	0	0	114.9
766	H	36.1	Very low	40	Very low	161 Å²	161	162.5 Å²	162.5	75%	0.745	81%	0.812	S	S	*	*			trans	31.7	126.8	150.5	-48.6	-53.2	0	0	0	120.7
767	R	37.7	Very low	40.8	Very low	245 Å²	245	158 Å²	158	93%	0.925	81%	0.81	S	S	*	*				-174.8	125.8	99.5	-103.6	177.9	173.7	-173.1	-1.4	116.1
768	R	35.7	Very low	41.5	Very low	224 Å²	224	162.3 Å²	162.3	85%	0.845	82%	0.815	S	S	*	*			trans	6.1	130	139	-148.6	-176.4	-157.1	-159.9	7.1	118.9
769	G	39	Very low	41.9	Very low	79 Å²	79	164.1 Å²	164.1	81%	0.814	81%	0.814	S	S	*	*			trans	-146.8	134.7	158.7	0	0	0	0	0	111.1
770	Q	41.8	Very low	42.2	Very low	157 Å²	157	164.2 Å²	164.2	73%	0.734	82%	0.815	S	S	*	*			trans	-106.2	156.6	179.4	-65.4	174.5	-72.4	0	0	111.2
771	R	39.3	Very low	42.8	Very low	255 Å²	255	168 Å²	168	96%	0.962	82%	0.819	S	S	*	*			trans	-152.5	119	144.3	-114.5	166.8	-169	-154.4	0.2	113.2
772	S	40.5	Very low	42.9	Very low	98 Å²	98	167.4 Å²	167.4	69%	0.685	82%	0.819	S	S	*	*			trans	-88.5	163.3	-173.3	-12.5	0	0	0	0	113.2
773	R	43	Very low	43.4	Very low	225 Å²	225	162.7 Å²	162.7	85%	0.849	82%	0.819	S	S	*	*				170.2	137.4	110.6	-95.9	-173.9	169.5	166.4	-3.3	116.5
774	T	41.9	Very low	43.7	Very low	122 Å²	122	163 Å²	163	75%	0.748	82%	0.82	S	S	*	*			trans	62.7	144.4	139.4	55.9	0	0	0	0	121.8
775	S	48.8	Very low	43.7	Very low	90 Å²	90	158.2 Å²	158.2	63%	0.629	81%	0.809	S	S	*	*			cis	-171.5	137.7	-6.2	42	0	0	0	0	114.6
776	D	48.2	Very low	43.8	Very low	160 Å²	160	157.2 Å²	157.2	86%	0.856	81%	0.813	S	S	*	*			trans	69.7	157.1	138	-57.5	-31.6	0	0	0	124.3
777	P	55.2	Low	44.2	Very low	117 Å²	117	153.7 Å²	153.7	76%	0.76	81%	0.807	S	S	*	*			trans	-130.4	-169.2	-159	45.3	-28.5	0	0	0	115.2
778	E	56.3	Low	44.5	Very low	186 Å²	186	149.4 Å²	149.4	87%	0.869	80%	0.802	S	S	*	*			trans	-166.3	171.7	143.2	-114.7	167.6	-161.6	0	0	113.7
779	D	46.9	Very low	44.9	Very low	165 Å²	165	142.2 Å²	142.2	88%	0.882	80%	0.797	S	S	*	*			trans	-84.2	177.7	-159.9	-54.2	-74.2	0	0	0	117.7
780	G	43.4	Very low	45	Very low	71 Å²	71	147.4 Å²	147.4	73%	0.732	80%	0.801	S	S	*	*			trans	169.8	73.8	165.6	0	0	0	0	0	120.8
781	E	50.7	Low	44.9	Very low	204 Å²	204	149.1 Å²	149.1	95%	0.953	81%	0.806	S	S	*	*			trans	62.8	145.4	149.6	-56.2	-168.8	152.1	0	0	123.3
782	E	39.9	Very low	44.8	Very low	189 Å²	189	141.6 Å²	141.6	88%	0.883	79%	0.791	S	S	*	*			trans	-106.1	152.9	173.8	-54	173.6	114.1	0	0	111.1
783	V	49.7	Very low	44.8	Very low	153 Å²	153	142.3 Å²	142.3	93%	0.927	79%	0.788	S	S	*	*			trans	-156.2	130.7	143.4	-106.5	0	0	0	0	114.8
784	E	41.9	Very low	44.6	Very low	179 Å²	179	140.6 Å²	140.6	84%	0.836	78%	0.781	S	S	*	*			trans	-21.4	129	167.6	-75.3	-165	102.5	0	0	123.7
785	S	43.1	Very low	44.4	Very low	94 Å²	94	139.6 Å²	139.6	66%	0.657	77%	0.771	S	S	*	*				87.1	163.2	105.2	-156	0	0	0	0	122.8
786	T	41.2	Very low	44	Very low	128 Å²	128	139.7 Å²	139.7	79%	0.785	77%	0.772	S	S	*	*			trans	71.4	140.3	175.5	68.6	0	0	0	0	118.2
787	S	44.1	Very low	43.7	Very low	87 Å²	87	140.6 Å²	140.6	61%	0.608	77%	0.768	S	S	*	*			cis	-160.4	168.4	-21.1	58.5	0	0	0	0	110.8
788	D	43.6	Very low	43	Very low	155 Å²	155	145.9 Å²	145.9	83%	0.829	77%	0.773	S	S	*	*			trans	67	142.1	161	-47	-52.6	0	0	0	118.9
789	G	44	Very low	42.3	Very low	72 Å²	72	145.7 Å²	145.7	74%	0.742	77%	0.769	S	S	*	*			cis	-167.3	165.9	-1	0	0	0	0	0	113.1
790	E	41.1	Very low	42.1	Very low	189 Å²	189	149.2 Å²	149.2	88%	0.883	77%	0.77	S	S	*	*			trans	-69.3	153.4	-173.8	-50.5	165.4	112.2	0	0	113.4
791	F	39.8	Very low	42.1	Very low	192 Å²	192	160.8 Å²	160.8	84%	0.842	79%	0.792	S	S	*	*				-173.4	160.8	102.1	-163.1	-107.7	0	0	0	112.2
792	C	37.2	Very low	41.7	Very low	98 Å²	98	158.6 Å²	158.6	66%	0.662	78%	0.784	S	S	*	*			trans	-105	177.1	-170.4	-64.4	0	0	0	0	114.5
793	D	41.2	Very low	41.8	Very low	113 Å²	113	157 Å²	157	60%	0.604	78%	0.778	S	S	*	*			trans	93.1	114.4	135.7	-137.6	31.6	0	0	0	120.1
794	R	37.4	Very low	41.3	Very low	189 Å²	189	157.2 Å²	157.2	71%	0.713	77%	0.77	S	S	*	*				94.9	136.6	120.9	-112.9	-172.6	-173	98.4	1.1	124.6
795	D	39.7	Very low	41.3	Very low	101 Å²	101	155.9 Å²	155.9	54%	0.54	77%	0.766	S	S	.	*			trans	63.1	99.8	134.9	-97.3	-50.6	0	0	0	121.3
796	S	40.1	Very low	41.2	Very low	92 Å²	92	159.8 Å²	159.8	64%	0.643	77%	0.773	S	S	*	*				43.9	136.4	106.9	-37.9	0	0	0	0	121.8
797	K	41.4	Very low	41.2	Very low	179 Å²	179	161.9 Å²	161.9	78%	0.778	77%	0.772	S	S	*	*			trans	105.4	138.4	147.2	-63.9	155	179.1	144.3	0	117.5
798	R	40.3	Very low	41	Very low	227 Å²	227	167.3 Å²	167.3	86%	0.857	78%	0.784	S	S	*	*			trans	86.5	138.1	165.9	-61.1	162.8	169.6	-175.6	-1.1	114
799	K	42.2	Very low	40.8	Very low	182 Å²	182	168.2 Å²	168.2	79%	0.791	78%	0.78	S	S	*	*			cis	-153.6	147.4	9.3	-136.3	166.4	-174.1	173.3	0	113.3
800	R	42.8	Very low	40.5	Very low	240 Å²	240	176.3 Å²	176.3	91%	0.906	78%	0.783	S	S	*	*			trans	-32.1	146.3	161.6	-67.8	175.4	169.8	172	-5.5	113.8
801	R	43	Very low	40.5	Very low	313 Å²	313	175.1 Å²	175.1	100%	1.181	77%	0.774	S	S	*	*			trans	-116.9	0	130.6	-157	170.5	-170	-166.6	0	110.2

Retrieved 801 of 801 residues in 155.5 ms (Link to these results)

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