A0A3Q0KQU6_SCHMA Loading...

Mitochondrial import inner membrane translocase subunit TIM44

Essential component of the PAM complex, a complex required for the translocation of transit peptide-containing proteins from the inner membrane into the mitochondrial matrix in an ATP-dependent manner.

AlphaFold DB , UniProt , Accession A0A3Q0KQU6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 417 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	31.7	Very low	232 Å²	232	161.4 Å²	161.4	100%	1.143	81%	0.807	S	S	*	*				0	83	0	-63.2	171.6	84.1	0	0	106.1
2	S	34.4	Very low	31.2	Very low	107 Å²	107	158.3 Å²	158.3	75%	0.748	80%	0.803	S	S	*	*				73.5	123.9	92.1	64.1	0	0	0	0	113.5
3	S	30.6	Very low	31	Very low	108 Å²	108	152.2 Å²	152.2	76%	0.755	79%	0.791	S	S	*	*			trans	75.9	135.3	152.7	-122.1	0	0	0	0	115.2
4	T	33.5	Very low	30.7	Very low	125 Å²	125	148.4 Å²	148.4	77%	0.767	78%	0.784	S	S	*	*			cis	-179.5	145.2	10.7	5	0	0	0	0	102
5	S	37.2	Very low	30.7	Very low	101 Å²	101	147.7 Å²	147.7	71%	0.706	78%	0.781	S	S	*	*				-176.6	124.9	54.1	-178.7	0	0	0	0	106.3
6	R	28.4	Very low	30.8	Very low	241 Å²	241	149.1 Å²	149.1	91%	0.909	78%	0.782	S	S	*	*			trans	-93.8	120.6	155.1	-74.4	178.9	-152.4	-134.8	-1	105.9
7	L	36	Very low	31.3	Very low	141 Å²	141	145.8 Å²	145.8	74%	0.738	77%	0.772	S	S	*	*			trans	-144.1	103.6	149.6	-85.3	177.1	0	0	0	109
8	L	28.8	Very low	31.3	Very low	168 Å²	168	152.2 Å²	152.2	88%	0.88	78%	0.783	S	S	*	*			trans	-55.7	127.3	149	-80	152.9	0	0	0	108
9	Y	32.8	Very low	31.3	Very low	217 Å²	217	150 Å²	150	85%	0.851	78%	0.783	S	S	*	*			trans	-135.5	140.6	152.3	-108.2	-88	0	0	0	111.6
10	R	23.9	Very low	31.3	Very low	201 Å²	201	146.7 Å²	146.7	76%	0.758	78%	0.778	S	S	*	*			trans	-104.8	158.3	-169.2	-174.6	-173.4	167.2	171.3	-6.3	107.2
11	H	26.3	Very low	31.4	Very low	134 Å²	134	147.1 Å²	147.1	62%	0.62	79%	0.786	S	S	*	*			trans	88.3	112.4	155.8	-79.8	-53.4	0	0	0	120.4
12	V	26.7	Very low	31.2	Very low	125 Å²	125	144 Å²	144	76%	0.758	77%	0.769	S	S	*	*				87.2	134.4	110.6	168.8	0	0	0	0	120.6
13	A	27.6	Very low	30.9	Very low	79 Å²	79	148.3 Å²	148.3	65%	0.653	77%	0.774	S	S	*	*			trans	81.5	112.5	146.3	0	0	0	0	0	120.2
14	S	27.8	Very low	30.7	Very low	98 Å²	98	149.1 Å²	149.1	69%	0.685	78%	0.778	S	S	*	*				58.2	147.8	121.9	68.5	0	0	0	0	122
15	D	30	Very low	30.6	Very low	139 Å²	139	148.5 Å²	148.5	74%	0.743	78%	0.779	S	S	*	*			trans	81.4	124.6	163.7	-60.5	-32	0	0	0	115.4
16	Q	32.2	Very low	30.5	Very low	169 Å²	169	147.6 Å²	147.6	79%	0.79	78%	0.778	S	S	*	*			cis	-167	176.1	23.6	-102.9	-101.8	-30.5	0	0	109.4
17	P	39.9	Very low	30.5	Very low	94 Å²	94	147.8 Å²	147.8	61%	0.61	78%	0.779	S	S	*	*			trans	-99.3	140.9	-154.1	37.2	-30.8	0	0	0	113.9
18	W	31.9	Very low	30.5	Very low	260 Å²	260	151.7 Å²	151.7	99%	0.985	79%	0.785	S	S	*	*			trans	-121.4	123.5	157.5	-78.6	54.9	0	0	0	108.6
19	S	30.9	Very low	30.6	Very low	111 Å²	111	155 Å²	155	78%	0.776	79%	0.786	S	S	*	*			trans	-63.4	136.8	-172.3	49.5	0	0	0	0	114.3
20	A	30.3	Very low	30.9	Very low	83 Å²	83	155.6 Å²	155.6	69%	0.686	79%	0.788	S	S	*	*			trans	52.6	83.6	131	0	0	0	0	0	118.1
21	V	33.8	Very low	31.7	Very low	156 Å²	156	157 Å²	157	95%	0.945	80%	0.795	S	S	*	*			trans	-116	83.9	139.9	-175.3	0	0	0	0	106.8
22	H	33	Very low	32.5	Very low	167 Å²	167	155.6 Å²	155.6	77%	0.773	80%	0.8	S	S	*	*			trans	-88.4	156.3	167.5	-89.4	-74	0	0	0	109.8
23	F	27.1	Very low	33.3	Very low	197 Å²	197	159 Å²	159	86%	0.864	81%	0.805	S	S	*	*			trans	86.6	84.6	164.9	-96.4	-92.7	0	0	0	117.7
24	C	27	Very low	34.7	Very low	125 Å²	125	157.3 Å²	157.3	85%	0.845	80%	0.795	S	S	*	*				-165.7	81.1	100.2	-155.6	0	0	0	0	109.4
25	S	32.1	Very low	36.9	Very low	113 Å²	113	159.7 Å²	159.7	79%	0.79	79%	0.793	S	S	*	*			trans	-74.4	126.4	169.9	44.9	0	0	0	0	109.5	R27	S25-R27 PolarHBondContact O-N 3.04Å
26	A	34.7	Very low	38.7	Very low	81 Å²	81	158.2 Å²	158.2	67%	0.669	78%	0.784	S	S	*	*			trans	-52.3	125.5	178	0	0	0	0	0	111.5	Y28	A26-Y28 PolarHBondContact O-N 3.4Å
27	R	29	Very low	40.3	Very low	246 Å²	246	155 Å²	155	93%	0.928	77%	0.769	S	S	*	*			trans	-67	100.2	177.9	-154.1	172.1	-177.7	170.1	-0.2	108.7	S25 R29	S25-R27 PolarHBondContact O-N 3.04Å; R27-R29 PolarHBondContact O-N 3.37Å
28	Y	34.2	Very low	42	Very low	222 Å²	222	153 Å²	153	87%	0.871	76%	0.758	S	S	*	*			trans	-63.1	121.6	169.9	-81.2	-89.8	0	0	0	109.5	A26 Y30	A26-Y28 PolarHBondContact O-N 3.4Å; Y28-Y30 PolarHBondContact O-N 3.3Å
29	R	31.8	Very low	44	Very low	239 Å²	239	144.3 Å²	144.3	90%	0.902	73%	0.73	S	S	*	*			trans	-69.7	107.8	-177.4	-151.4	176.3	-74.2	151.8	-5.6	108.2	R27 Y31	R27-R29 PolarHBondContact O-N 3.37Å; R29-Y31 PolarHBondContact O-N 3.35Å
30	Y	38	Very low	46	Very low	229 Å²	229	143.3 Å²	143.3	90%	0.898	72%	0.715	S	S	*	*			trans	-62.9	120.5	172.6	-137.7	-99.5	0	0	0	108.3	Y28 S32	Y28-Y30 PolarHBondContact O-N 3.3Å; Y30-S32 PolarHBondContact O-N 3.34Å
31	Y	40.9	Very low	48.2	Very low	229 Å²	229	143.2 Å²	143.2	90%	0.898	70%	0.703	S	S	*	*			trans	-66.8	96	173.3	-129.1	-97.3	0	0	0	107.5	R29 K33	R29-Y31 PolarHBondContact O-N 3.35Å; Y31-K33 PolarHBondContact O-N 2.77Å
32	S	43.3	Very low	50.3	Low	105 Å²	105	141.7 Å²	141.7	73%	0.734	68%	0.684	S	S	*	*			trans	-63.7	123.8	171.6	-177	0	0	0	0	108.4	Y30 G34	Y30-S32 PolarHBondContact O-N 3.34Å; S32-G34 PolarHBondContact O-N 3.46Å; S32-G34 VanDerWaalsContact O-N 3.09Å
33	K	44.8	Very low	52.4	Low	197 Å²	197	138.2 Å²	138.2	86%	0.857	67%	0.674	S	S	*	*			trans	-54.6	114.6	174.9	-70.5	177.3	177	-179.5	0	108.8	Y31	Y31-K33 PolarHBondContact O-N 2.77Å
34	G	56.9	Low	54.4	Low	43 Å²	43	135.4 Å²	135.4	44%	0.443	66%	0.662	S	S	.	*			trans	-67.6	148	-174	0	0	0	0	0	113.3	S32 I36 Q37 S38	S32-G34 PolarHBondContact O-N 3.46Å; S32-G34 VanDerWaalsContact O-N 3.09Å; G34-I36 PolarHBondContact O-N 3.37Å; G34-I36 VanDerWaalsContact O-N 3.07Å; G34-Q37 WeakPolarHBondContact O-CB 3.29Å; G34-Q37 PolarHBondContact O-N 2.91Å; G34-S38 PolarHBondContact O-N 3.06Å
35	F	73.2	Confident	56.6	Low	148 Å²	148	134.3 Å²	134.3	65%	0.649	64%	0.644	S	S	*	*	H	α-helix	trans	-43.5	-39.1	179	176.4	-105	0	0	0	114.7	Q37 S38 L39	F35-Q37 PolarHBondContact O-N 3.5Å; F35-S38 PolarHBondContact O-N 3.01Å; F35-S38 PolarHBondContact O-OG 3.48Å; F35-L39 HydrophobicContact CD1-CD1 4.04Å; F35-L39 HydrophobicContact CE1-CD1 3.5Å; F35-L39 HydrophobicContact CE1-CG 4.32Å; F35-L39 HydrophobicContact CZ-CD1 3.82Å; F35-L39 HydrophobicContact CZ-CG 4.33Å; F35-L39 PolarHBondContact O-N 2.91Å; F35-L39 VanDerWaalsContact O-N 3.1Å
36	I	68.7	Low	57.9	Low	109 Å²	109	134.1 Å²	134.1	56%	0.559	63%	0.63	S	S	*	*	H	α-helix	trans	-65.2	-38.5	179	-56.2	-59	0	0	0	112.3	G34 S38 L39 I40	G34-I36 PolarHBondContact O-N 3.37Å; G34-I36 VanDerWaalsContact O-N 3.07Å; I36-S38 VanDerWaalsContact C-N 3.28Å; I36-S38 PolarHBondContact O-N 3.34Å; I36-L39 PolarHBondContact O-N 2.88Å; I36-I40 HydrophobicContact CG2-CD1 3.94Å; I36-I40 HydrophobicContact CG2-CG1 4.46Å; I36-I40 WeakPolarHBondContact O-CG1 3.09Å; I36-I40 PolarHBondContact O-N 3.22Å
37	Q	65	Low	58.9	Low	100 Å²	100	132.7 Å²	132.7	47%	0.467	62%	0.616	S	S	.	*	H	α-helix	trans	-64.8	-38.4	176.6	-164.8	64.4	37.6	0	0	110.6	G34 F35 L39 I40 D41	G34-Q37 WeakPolarHBondContact O-CB 3.29Å; G34-Q37 PolarHBondContact O-N 2.91Å; F35-Q37 PolarHBondContact O-N 3.5Å; Q37-L39 VanDerWaalsContact C-N 3.33Å; Q37-L39 PolarHBondContact O-N 2.91Å; Q37-I40 PolarHBondContact O-N 3.5Å; Q37-D41 PolarHBondContact NE2-OD1 3.32Å; Q37-D41 WeakPolarHBondContact O-CB 3.38Å; Q37-D41 PolarHBondContact O-N 3.42Å
38	S	75.8	Confident	60.7	Low	54 Å²	54	126.1 Å²	126.1	38%	0.378	60%	0.599	S	S	.	*	H	α-helix	trans	-66.7	-31.7	176.4	76.6	0	0	0	0	113.4	G34 F35 I36 K42	G34-S38 PolarHBondContact O-N 3.06Å; F35-S38 PolarHBondContact O-N 3.01Å; F35-S38 PolarHBondContact O-OG 3.48Å; I36-S38 VanDerWaalsContact C-N 3.28Å; I36-S38 PolarHBondContact O-N 3.34Å; S38-K42 WeakPolarHBondContact O-CB 3.33Å; S38-K42 VanDerWaalsContact O-CG 3.3Å; S38-K42 WeakPolarHBondContact O-CG 3.5Å; S38-K42 PolarHBondContact O-N 3.14Å
39	L	73.7	Confident	62.1	Low	76 Å²	76	121.9 Å²	121.9	40%	0.398	59%	0.585	S	S	.	*	H	α-helix	trans	-73.5	-41.7	174.3	-72	177.7	0	0	0	111.7	F35 I36 Q37 D41 K42 V43	F35-L39 HydrophobicContact CD1-CD1 4.04Å; F35-L39 HydrophobicContact CE1-CD1 3.5Å; F35-L39 HydrophobicContact CE1-CG 4.32Å; F35-L39 HydrophobicContact CZ-CD1 3.82Å; F35-L39 HydrophobicContact CZ-CG 4.33Å; F35-L39 PolarHBondContact O-N 2.91Å; F35-L39 VanDerWaalsContact O-N 3.1Å; I36-L39 PolarHBondContact O-N 2.88Å; Q37-L39 VanDerWaalsContact C-N 3.33Å; Q37-L39 PolarHBondContact O-N 2.91Å; L39-D41 VanDerWaalsContact C-N 3.33Å; L39-K42 PolarHBondContact O-N 2.9Å; L39-V43 WeakPolarHBondContact O-CG2 3.5Å; L39-V43 PolarHBondContact O-N 3.07Å
40	I	73.4	Confident	63.2	Low	90 Å²	90	113.6 Å²	113.6	46%	0.462	56%	0.559	S	S	.	*	H	α-helix	trans	-62.8	-44.1	175.7	-68.6	168.3	0	0	0	110.3	I36 Q37 V43 K44	I36-I40 HydrophobicContact CG2-CD1 3.94Å; I36-I40 HydrophobicContact CG2-CG1 4.46Å; I36-I40 WeakPolarHBondContact O-CG1 3.09Å; I36-I40 PolarHBondContact O-N 3.22Å; Q37-I40 PolarHBondContact O-N 3.5Å; I40-V43 PolarHBondContact O-N 3.37Å; I40-K44 VanDerWaalsContact O-CB 3.26Å; I40-K44 WeakPolarHBondContact O-CB 3.48Å; I40-K44 PolarHBondContact O-N 3.47Å
41	D	76.1	Confident	65	Low	81 Å²	81	107.6 Å²	107.6	43%	0.433	55%	0.546	S	S	.	.	H	α-helix	trans	-65	-41.3	178.1	-67.6	-18.4	0	0	0	110.5	Q37 L39 K44 E45	Q37-D41 PolarHBondContact NE2-OD1 3.32Å; Q37-D41 WeakPolarHBondContact O-CB 3.38Å; Q37-D41 PolarHBondContact O-N 3.42Å; L39-D41 VanDerWaalsContact C-N 3.33Å; D41-K44 PolarHBondContact O-N 2.86Å; D41-E45 WeakPolarHBondContact O-CB 3.45Å; D41-E45 PolarHBondContact O-N 3.04Å
42	K	77.4	Confident	66.5	Low	124 Å²	124	103.3 Å²	103.3	54%	0.539	53%	0.534	S	S	.	.	H	α-helix	trans	-61.6	-48.8	173.4	-83.3	-177.6	179.4	-173	0	113.1	S38 L39 K44 E45 E46	S38-K42 WeakPolarHBondContact O-CB 3.33Å; S38-K42 VanDerWaalsContact O-CG 3.3Å; S38-K42 WeakPolarHBondContact O-CG 3.5Å; S38-K42 PolarHBondContact O-N 3.14Å; L39-K42 PolarHBondContact O-N 2.9Å; K42-K44 VanDerWaalsContact C-N 3.28Å; K42-K44 PolarHBondContact O-N 3.26Å; K42-E45 PolarHBondContact O-N 3.02Å; K42-E46 VanDerWaalsContact O-CB 3.31Å; K42-E46 WeakPolarHBondContact O-CB 3.43Å; K42-E46 VanDerWaalsContact O-CG 3.32Å; K42-E46 WeakPolarHBondContact O-CG 3.4Å; K42-E46 PolarHBondContact O-N 3.08Å
43	V	76.8	Confident	67.6	Low	94 Å²	94	102.2 Å²	102.2	57%	0.57	52%	0.52	S	S	*	.	H	α-helix	trans	-62.3	-38.8	178.2	170.1	0	0	0	0	111	L39 I40 S47	L39-V43 WeakPolarHBondContact O-CG2 3.5Å; L39-V43 PolarHBondContact O-N 3.07Å; I40-V43 PolarHBondContact O-N 3.37Å; V43-S47 VanDerWaalsContact O-CB 3.29Å; V43-S47 WeakPolarHBondContact O-CB 3.38Å; V43-S47 PolarHBondContact O-N 3.35Å
44	K	69.3	Low	69	Low	139 Å²	139	98.9 Å²	98.9	60%	0.604	51%	0.505	S	S	*	.	H	α-helix	trans	-68.2	-41	177.1	-166.5	173.1	-176.4	179.4	0	111.3	I40 D41 K42 S47 N48	I40-K44 VanDerWaalsContact O-CB 3.26Å; I40-K44 WeakPolarHBondContact O-CB 3.48Å; I40-K44 PolarHBondContact O-N 3.47Å; D41-K44 PolarHBondContact O-N 2.86Å; K42-K44 VanDerWaalsContact C-N 3.28Å; K42-K44 PolarHBondContact O-N 3.26Å; K44-S47 PolarHBondContact O-OG 3.43Å; K44-N48 PolarHBondContact O-N 3.34Å; K44-N48 PolarHBondContact O-ND2 3.13Å
45	E	74.4	Confident	70.3	Confident	101 Å²	101	100.6 Å²	100.6	47%	0.472	50%	0.502	S	S	.	.	H	α-helix	trans	-68.2	-40.8	177	-164.2	174.2	-178.8	0	0	112.2	D41 K42 N48 K49	D41-E45 WeakPolarHBondContact O-CB 3.45Å; D41-E45 PolarHBondContact O-N 3.04Å; K42-E45 PolarHBondContact O-N 3.02Å; E45-N48 PolarHBondContact O-N 3.46Å; E45-K49 HydrophobicContact CG-CD 4.27Å; E45-K49 WeakPolarHBondContact O-CG 3.45Å; E45-K49 PolarHBondContact O-N 2.84Å; E45-K49 VanDerWaalsContact O-N 3.15Å; E45-K49 WeakPolarHBondContact OE1-CE 3.44Å; E45-K49 IonicContact OE1-NZ 2.68Å; E45-K49 PolarHBondContact OE1-NZ 3.49Å
46	E	58.8	Low	70.8	Confident	109 Å²	109	98 Å²	98	51%	0.509	50%	0.495	S	S	.	.	H	α-helix	trans	-64.1	-45.2	172.9	-75.9	174.8	-180	0	0	110.8	K42 N48 K49 D50	K42-E46 VanDerWaalsContact O-CB 3.31Å; K42-E46 WeakPolarHBondContact O-CB 3.43Å; K42-E46 VanDerWaalsContact O-CG 3.32Å; K42-E46 WeakPolarHBondContact O-CG 3.4Å; K42-E46 PolarHBondContact O-N 3.08Å; E46-N48 PolarHBondContact O-N 2.92Å; E46-K49 PolarHBondContact O-N 3.22Å; E46-K49 VanDerWaalsContact O-N 3.13Å; E46-D50 WeakPolarHBondContact O-CB 3.32Å; E46-D50 VanDerWaalsContact O-CG 3.31Å; E46-D50 PolarHBondContact O-N 2.82Å
47	S	56	Low	71.2	Confident	51 Å²	51	96.5 Å²	96.5	36%	0.357	49%	0.487	S	S	.	.	H	α-helix	trans	-60.7	-30.6	177.8	81	0	0	0	0	114	V43 K44	V43-S47 VanDerWaalsContact O-CB 3.29Å; V43-S47 WeakPolarHBondContact O-CB 3.38Å; V43-S47 PolarHBondContact O-N 3.35Å; K44-S47 PolarHBondContact O-OG 3.43Å
48	N	66.9	Low	72.1	Confident	109 Å²	109	98 Å²	98	58%	0.583	49%	0.488	S	S	*	.	H	α-helix	trans	-80.7	-33.8	178.8	-77.8	-25.7	0	0	0	112	K44 E45 E46	K44-N48 PolarHBondContact O-N 3.34Å; K44-N48 PolarHBondContact O-ND2 3.13Å; E45-N48 PolarHBondContact O-N 3.46Å; E46-N48 PolarHBondContact O-N 2.92Å
49	K	62.4	Low	72.5	Confident	133 Å²	133	100.6 Å²	100.6	58%	0.578	49%	0.493	S	S	*	.	H	α-helix	trans	-83.2	-28.5	-177.9	-71.3	175.4	-173.8	172.1	0	112.9	E45 E46 T51	E45-K49 HydrophobicContact CG-CD 4.27Å; E45-K49 WeakPolarHBondContact O-CG 3.45Å; E45-K49 PolarHBondContact O-N 2.84Å; E45-K49 VanDerWaalsContact O-N 3.15Å; E45-K49 WeakPolarHBondContact OE1-CE 3.44Å; E45-K49 IonicContact OE1-NZ 2.68Å; E45-K49 PolarHBondContact OE1-NZ 3.49Å; E46-K49 PolarHBondContact O-N 3.22Å; E46-K49 VanDerWaalsContact O-N 3.13Å; K49-T51 VanDerWaalsContact C-N 3.3Å; K49-T51 PolarHBondContact O-N 2.91Å
50	D	55.5	Low	73	Confident	64 Å²	64	103.7 Å²	103.7	34%	0.342	50%	0.503	S	S	.	.			trans	-77.9	79.3	-176.2	-70.4	-11.9	0	0	0	112	E46 E52 L53 K54	E46-D50 WeakPolarHBondContact O-CB 3.32Å; E46-D50 VanDerWaalsContact O-CG 3.31Å; E46-D50 PolarHBondContact O-N 2.82Å; D50-E52 PolarHBondContact O-N 3.04Å; D50-L53 HydrophobicContact CB-CB 3.54Å; D50-L53 PolarHBondContact O-N 2.83Å; D50-K54 PolarHBondContact O-N 3.47Å; D50-K54 VanDerWaalsContact O-N 3.13Å
51	T	76.4	Confident	73.1	Confident	103 Å²	103	108 Å²	108	63%	0.632	51%	0.513	S	S	*	.	H	α-helix	trans	-52.7	-32	157.6	47.3	0	0	0	0	110.9	K49 K54 E55	K49-T51 VanDerWaalsContact C-N 3.3Å; K49-T51 PolarHBondContact O-N 2.91Å; T51-K54 PolarHBondContact O-N 3.47Å; T51-E55 WeakPolarHBondContact O-CB 3.22Å; T51-E55 PolarHBondContact O-N 3.2Å
52	E	72.2	Confident	73.5	Confident	139 Å²	139	108.3 Å²	108.3	65%	0.65	51%	0.512	S	S	*	.	H	α-helix	trans	-65.6	-41.4	174.6	-63.7	-173.8	178.2	0	0	112.9	D50 E55 N56	D50-E52 PolarHBondContact O-N 3.04Å; E52-E55 PolarHBondContact O-N 3.12Å; E52-N56 WeakPolarHBondContact O-CB 3.32Å; E52-N56 PolarHBondContact O-N 3.47Å; E52-N56 PolarHBondContact O-ND2 3.31Å
53	L	67.1	Low	73.6	Confident	82 Å²	82	107.8 Å²	107.8	43%	0.429	51%	0.512	S	S	.	.	H	α-helix	trans	-67.2	-42.4	175.3	-170	101.6	0	0	0	110.8	D50 E55 N56 I57	D50-L53 HydrophobicContact CB-CB 3.54Å; D50-L53 PolarHBondContact O-N 2.83Å; L53-E55 VanDerWaalsContact C-N 3.25Å; L53-E55 PolarHBondContact O-N 2.87Å; L53-N56 PolarHBondContact O-N 2.71Å; L53-I57 HydrophobicContact CD2-CD1 3.83Å; L53-I57 HydrophobicContact CG-CD1 4.06Å; L53-I57 WeakPolarHBondContact O-CB 3.35Å; L53-I57 VanDerWaalsContact O-CG1 3.26Å; L53-I57 WeakPolarHBondContact O-CG1 3.36Å; L53-I57 PolarHBondContact O-N 3.26Å
54	K	73.7	Confident	73.6	Confident	127 Å²	127	105.6 Å²	105.6	55%	0.552	50%	0.499	S	S	*	.	H	α-helix	trans	-59.2	-39.9	173.8	-74	177.6	-178.1	166.8	0	111.3	D50 T51 R58	D50-K54 PolarHBondContact O-N 3.47Å; D50-K54 VanDerWaalsContact O-N 3.13Å; T51-K54 PolarHBondContact O-N 3.47Å; K54-R58 WeakPolarHBondContact O-CB 3.43Å; K54-R58 PolarHBondContact O-N 3.36Å
55	E	84.1	Confident	73.8	Confident	80 Å²	80	101 Å²	101	37%	0.374	49%	0.487	S	S	.	.	H	α-helix	trans	-71.6	-37.6	177.1	-167.7	141	-133.8	0	0	112.4	T51 E52 L53 R58 K59	T51-E55 WeakPolarHBondContact O-CB 3.22Å; T51-E55 PolarHBondContact O-N 3.2Å; E52-E55 PolarHBondContact O-N 3.12Å; L53-E55 VanDerWaalsContact C-N 3.25Å; L53-E55 PolarHBondContact O-N 2.87Å; E55-R58 WeakPolarHBondContact O-CB 3.41Å; E55-R58 PolarHBondContact O-N 3.31Å; E55-R58 IonicContact OE1-CZ 3.89Å; E55-R58 IonicContact OE1-NH1 2.94Å; E55-R58 IonicContact OE1-NH2 3.53Å; E55-R58 PolarHBondContact OE1-NH2 3.25Å; E55-K59 WeakPolarHBondContact O-CB 3.3Å; E55-K59 WeakPolarHBondContact O-CG 3.46Å; E55-K59 PolarHBondContact O-N 2.99Å
56	N	83.2	Confident	73.8	Confident	93 Å²	93	103 Å²	103	50%	0.497	49%	0.494	S	S	.	.	H	α-helix	trans	-65.7	-42	173.3	-72.1	-21.3	0	0	0	111.6	E52 L53 R58 K59 F60	E52-N56 WeakPolarHBondContact O-CB 3.32Å; E52-N56 PolarHBondContact O-N 3.47Å; E52-N56 PolarHBondContact O-ND2 3.31Å; L53-N56 PolarHBondContact O-N 2.71Å; N56-R58 VanDerWaalsContact C-N 3.29Å; N56-R58 PolarHBondContact O-N 3.26Å; N56-K59 PolarHBondContact O-N 2.94Å; N56-F60 VanDerWaalsContact O-CB 3.24Å; N56-F60 WeakPolarHBondContact O-CB 3.45Å; N56-F60 PolarHBondContact O-N 2.68Å
57	I	77.6	Confident	74.2	Confident	78 Å²	78	103.2 Å²	103.2	40%	0.4	50%	0.498	S	S	.	.	H	α-helix	trans	-63.1	-39	172.5	-68.3	165.9	0	0	0	110.2	L53 F60 R61	L53-I57 HydrophobicContact CD2-CD1 3.83Å; L53-I57 HydrophobicContact CG-CD1 4.06Å; L53-I57 WeakPolarHBondContact O-CB 3.35Å; L53-I57 VanDerWaalsContact O-CG1 3.26Å; L53-I57 WeakPolarHBondContact O-CG1 3.36Å; L53-I57 PolarHBondContact O-N 3.26Å; I57-F60 PolarHBondContact O-N 2.85Å; I57-R61 WeakPolarHBondContact O-CB 3.23Å; I57-R61 VanDerWaalsContact O-CG 3.27Å; I57-R61 WeakPolarHBondContact O-CG 3.25Å; I57-R61 PolarHBondContact O-N 3.14Å
58	R	83	Confident	74.4	Confident	132 Å²	132	104.4 Å²	104.4	50%	0.498	50%	0.498	S	S	.	.	H	α-helix	trans	-64.5	-49	176.1	-163.2	-177.5	76	-141	-10.5	111.1	K54 E55 N56 F60 R61 E62	K54-R58 WeakPolarHBondContact O-CB 3.43Å; K54-R58 PolarHBondContact O-N 3.36Å; E55-R58 WeakPolarHBondContact O-CB 3.41Å; E55-R58 PolarHBondContact O-N 3.31Å; E55-R58 IonicContact OE1-CZ 3.89Å; E55-R58 IonicContact OE1-NH1 2.94Å; E55-R58 IonicContact OE1-NH2 3.53Å; E55-R58 PolarHBondContact OE1-NH2 3.25Å; N56-R58 VanDerWaalsContact C-N 3.29Å; N56-R58 PolarHBondContact O-N 3.26Å; R58-F60 VanDerWaalsContact C-N 3.34Å; R58-F60 PolarHBondContact O-N 3.42Å; R58-R61 PolarHBondContact O-N 3.44Å; R58-E62 WeakPolarHBondContact CG-OE1 3.39Å; R58-E62 IonicContact NE-OE1 3.72Å; R58-E62 PolarHBondContact NE-OE1 2.73Å; R58-E62 WeakPolarHBondContact O-CG 3.49Å; R58-E62 PolarHBondContact O-N 3.4Å
59	K	85.1	Confident	73.7	Confident	107 Å²	107	104.8 Å²	104.8	47%	0.465	50%	0.497	S	S	.	.	H	α-helix	trans	-59.1	-42.9	174.8	-74.1	176.6	-178.5	174.7	0	111.8	E55 N56 R61 E62 E63	E55-K59 WeakPolarHBondContact O-CB 3.3Å; E55-K59 WeakPolarHBondContact O-CG 3.46Å; E55-K59 PolarHBondContact O-N 2.99Å; N56-K59 PolarHBondContact O-N 2.94Å; K59-R61 VanDerWaalsContact C-N 3.34Å; K59-R61 PolarHBondContact O-N 3.46Å; K59-E62 PolarHBondContact O-N 2.82Å; K59-E63 WeakPolarHBondContact O-CB 3.43Å; K59-E63 WeakPolarHBondContact O-CG 3.31Å; K59-E63 PolarHBondContact O-N 3.42Å
60	F	82.8	Confident	74	Confident	141 Å²	141	101.6 Å²	101.6	62%	0.618	49%	0.488	S	S	*	.	H	α-helix	trans	-64.5	-39	177.2	-160.8	-88.6	0	0	0	111.6	N56 I57 R58 T64	N56-F60 VanDerWaalsContact O-CB 3.24Å; N56-F60 WeakPolarHBondContact O-CB 3.45Å; N56-F60 PolarHBondContact O-N 2.68Å; I57-F60 PolarHBondContact O-N 2.85Å; R58-F60 VanDerWaalsContact C-N 3.34Å; R58-F60 PolarHBondContact O-N 3.42Å; F60-T64 VanDerWaalsContact O-CB 3.23Å; F60-T64 WeakPolarHBondContact O-CB 3.25Å; F60-T64 PolarHBondContact O-N 3.36Å; F60-T64 PolarHBondContact O-OG1 3.25Å
61	R	76.6	Confident	74.3	Confident	180 Å²	180	107.4 Å²	107.4	68%	0.679	51%	0.51	S	S	*	.	H	α-helix	trans	-67.1	-39.3	172.6	-74.8	177.1	-176.5	-170.5	1.9	112.1	I57 R58 K59 A65	I57-R61 WeakPolarHBondContact O-CB 3.23Å; I57-R61 VanDerWaalsContact O-CG 3.27Å; I57-R61 WeakPolarHBondContact O-CG 3.25Å; I57-R61 PolarHBondContact O-N 3.14Å; R58-R61 PolarHBondContact O-N 3.44Å; K59-R61 VanDerWaalsContact C-N 3.34Å; K59-R61 PolarHBondContact O-N 3.46Å; R61-A65 WeakPolarHBondContact O-CB 3.3Å; R61-A65 PolarHBondContact O-N 3.28Å
62	E	84.3	Confident	73.8	Confident	88 Å²	88	109.6 Å²	109.6	41%	0.411	51%	0.513	S	S	.	.	H	α-helix	trans	-66.3	-42.8	175.8	-73.3	170.6	-159.2	0	0	111.6	R58 K59 A65 K66	R58-E62 WeakPolarHBondContact CG-OE1 3.39Å; R58-E62 IonicContact NE-OE1 3.72Å; R58-E62 PolarHBondContact NE-OE1 2.73Å; R58-E62 WeakPolarHBondContact O-CG 3.49Å; R58-E62 PolarHBondContact O-N 3.4Å; K59-E62 PolarHBondContact O-N 2.82Å; E62-A65 PolarHBondContact O-N 3.4Å; E62-K66 VanDerWaalsContact O-CG 3.3Å; E62-K66 WeakPolarHBondContact O-CG 3.36Å; E62-K66 PolarHBondContact O-N 3.5Å
63	E	80.1	Confident	72.9	Confident	113 Å²	113	106.9 Å²	106.9	53%	0.528	50%	0.503	S	S	.	.	H	α-helix	trans	-66.6	-43.3	173.9	-77.6	-179.5	174.2	0	0	111.7	K59 A65 K66 L67	K59-E63 WeakPolarHBondContact O-CB 3.43Å; K59-E63 WeakPolarHBondContact O-CG 3.31Å; K59-E63 PolarHBondContact O-N 3.42Å; E63-A65 VanDerWaalsContact C-N 3.31Å; E63-A65 PolarHBondContact O-N 3.4Å; E63-K66 WeakPolarHBondContact O-CB 3.19Å; E63-K66 PolarHBondContact O-N 2.86Å; E63-L67 WeakPolarHBondContact O-CB 3.48Å; E63-L67 VanDerWaalsContact O-CG 3.31Å; E63-L67 WeakPolarHBondContact O-CG 3.45Å; E63-L67 PolarHBondContact O-N 3.34Å
64	T	75.8	Confident	72.5	Confident	49 Å²	49	109.5 Å²	109.5	30%	0.301	51%	0.507	S	S	.	.	H	α-helix	trans	-61.6	-41.3	173.6	-55.9	0	0	0	0	110.4	F60 K66 L67 E68	F60-T64 VanDerWaalsContact O-CB 3.23Å; F60-T64 WeakPolarHBondContact O-CB 3.25Å; F60-T64 PolarHBondContact O-N 3.36Å; F60-T64 PolarHBondContact O-OG1 3.25Å; T64-K66 PolarHBondContact O-N 3.5Å; T64-L67 PolarHBondContact O-N 3.13Å; T64-E68 HydrophobicContact CG2-CG 4.37Å; T64-E68 VanDerWaalsContact O-CB 3.3Å; T64-E68 WeakPolarHBondContact O-CB 3.45Å; T64-E68 VanDerWaalsContact O-CG 3.29Å; T64-E68 WeakPolarHBondContact O-CG 3.04Å; T64-E68 PolarHBondContact O-N 2.73Å
65	A	74	Confident	72.2	Confident	43 Å²	43	106.7 Å²	106.7	36%	0.355	50%	0.504	S	S	.	.	H	α-helix	trans	-65.7	-36.4	175.4	0	0	0	0	0	112.5	R61 E62 E63 Q69	R61-A65 WeakPolarHBondContact O-CB 3.3Å; R61-A65 PolarHBondContact O-N 3.28Å; E62-A65 PolarHBondContact O-N 3.4Å; E63-A65 VanDerWaalsContact C-N 3.31Å; E63-A65 PolarHBondContact O-N 3.4Å; A65-Q69 WeakPolarHBondContact O-CB 3.47Å; A65-Q69 WeakPolarHBondContact O-CG 3.33Å; A65-Q69 PolarHBondContact O-N 3.03Å; A65-Q69 VanDerWaalsContact O-N 3.17Å
66	K	73.3	Confident	71.3	Confident	142 Å²	142	106.2 Å²	106.2	62%	0.617	51%	0.506	S	S	*	.	H	α-helix	trans	-66.8	-43.2	172.1	-74.2	171.1	-176.4	174.6	0	111.4	E62 E63 T64 Q69 T70	E62-K66 VanDerWaalsContact O-CG 3.3Å; E62-K66 WeakPolarHBondContact O-CG 3.36Å; E62-K66 PolarHBondContact O-N 3.5Å; E63-K66 WeakPolarHBondContact O-CB 3.19Å; E63-K66 PolarHBondContact O-N 2.86Å; T64-K66 PolarHBondContact O-N 3.5Å; K66-Q69 PolarHBondContact O-N 2.81Å; K66-T70 PolarHBondContact O-N 3.4Å; K66-T70 PolarHBondContact O-OG1 3.18Å
67	L	67.1	Low	70.5	Confident	114 Å²	114	107.9 Å²	107.9	60%	0.597	51%	0.505	S	S	*	.	H	α-helix	trans	-64.6	-44.4	177.2	-74.5	168.2	0	0	0	111.2	E63 T64 Q69 T70	E63-L67 WeakPolarHBondContact O-CB 3.48Å; E63-L67 VanDerWaalsContact O-CG 3.31Å; E63-L67 WeakPolarHBondContact O-CG 3.45Å; E63-L67 PolarHBondContact O-N 3.34Å; T64-L67 PolarHBondContact O-N 3.13Å; L67-Q69 PolarHBondContact O-N 3.24Å; L67-T70 WeakPolarHBondContact CA-OG1 3.31Å; L67-T70 WeakPolarHBondContact O-CB 3.28Å; L67-T70 PolarHBondContact O-N 3.41Å; L67-T70 PolarHBondContact O-OG1 3.2Å
68	E	60.4	Low	70.3	Confident	75 Å²	75	109.4 Å²	109.4	35%	0.35	51%	0.511	S	S	.	.	H	α-helix	trans	-59.3	-27.5	173.1	-80.2	-170.8	-155.5	0	0	113.4	T64 R77	T64-E68 HydrophobicContact CG2-CG 4.37Å; T64-E68 VanDerWaalsContact O-CB 3.3Å; T64-E68 WeakPolarHBondContact O-CB 3.45Å; T64-E68 VanDerWaalsContact O-CG 3.29Å; T64-E68 WeakPolarHBondContact O-CG 3.04Å; T64-E68 PolarHBondContact O-N 2.73Å; E68-R77 VanDerWaalsContact CD-NH2 3.34Å; E68-R77 IonicContact OE1-NH2 2.78Å; E68-R77 IonicContact OE2-CZ 3.72Å; E68-R77 IonicContact OE2-NH1 2.75Å; E68-R77 PolarHBondContact OE2-NH1 3.37Å; E68-R77 IonicContact OE2-NH2 2.66Å; E68-R77 PolarHBondContact OE2-NH2 2.92Å
69	Q	53.6	Low	69.7	Low	118 Å²	118	108.5 Å²	108.5	55%	0.551	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-7.8	176.1	-73.1	179.3	21.6	0	0	113.7	A65 K66 L67 K71	A65-Q69 WeakPolarHBondContact O-CB 3.47Å; A65-Q69 WeakPolarHBondContact O-CG 3.33Å; A65-Q69 PolarHBondContact O-N 3.03Å; A65-Q69 VanDerWaalsContact O-N 3.17Å; K66-Q69 PolarHBondContact O-N 2.81Å; L67-Q69 PolarHBondContact O-N 3.24Å; Q69-K71 PolarHBondContact O-N 3.2Å
70	T	67.6	Low	68.6	Low	65 Å²	65	110.6 Å²	110.6	40%	0.399	52%	0.516	S	S	.	.	S	Bend	trans	-57.8	138.8	176.2	-47	0	0	0	0	109.4	K66 L67 E72 L73 R74	K66-T70 PolarHBondContact O-N 3.4Å; K66-T70 PolarHBondContact O-OG1 3.18Å; L67-T70 WeakPolarHBondContact CA-OG1 3.31Å; L67-T70 WeakPolarHBondContact O-CB 3.28Å; L67-T70 PolarHBondContact O-N 3.41Å; L67-T70 PolarHBondContact O-OG1 3.2Å; T70-E72 PolarHBondContact O-N 2.92Å; T70-L73 PolarHBondContact O-N 3.43Å; T70-R74 PolarHBondContact O-N 3.09Å
71	K	61.3	Low	67.6	Low	186 Å²	186	109.8 Å²	109.8	81%	0.809	51%	0.513	S	S	*	.	H	α-helix	trans	-50.2	-32.1	-166.5	-65.7	178.4	179.2	176.9	0	113.9	Q69 S75	Q69-K71 PolarHBondContact O-N 3.2Å; K71-S75 PolarHBondContact O-N 3.23Å
72	E	67.3	Low	67.5	Low	149 Å²	149	107 Å²	107	70%	0.696	51%	0.506	S	S	*	.	H	α-helix	trans	-66.3	-48.8	179	-65.4	167.5	-171.5	0	0	112.6	T70 R74 S75 V76	T70-E72 PolarHBondContact O-N 2.92Å; E72-R74 VanDerWaalsContact C-N 3.34Å; E72-R74 PolarHBondContact O-N 3.46Å; E72-S75 PolarHBondContact O-N 3.16Å; E72-S75 VanDerWaalsContact O-N 3.16Å; E72-S75 PolarHBondContact O-OG 2.97Å; E72-V76 PolarHBondContact O-N 3.01Å
73	L	53.4	Low	66.3	Low	83 Å²	83	106.1 Å²	106.1	44%	0.435	50%	0.503	S	S	.	.	H	α-helix	trans	-70.3	-28.7	179.4	-73.8	173.3	0	0	0	112.9	T70 R77	T70-L73 PolarHBondContact O-N 3.43Å; L73-R77 WeakPolarHBondContact O-CB 3.47Å; L73-R77 PolarHBondContact O-N 3.06Å
74	R	59.1	Low	64.7	Low	137 Å²	137	107.4 Å²	107.4	52%	0.517	51%	0.509	S	S	.	.	H	α-helix	trans	-61.4	-44.9	168.9	-83.2	-173.4	-178.1	176.5	3.1	111.4	T70 E72 V76 R77 E78	T70-R74 PolarHBondContact O-N 3.09Å; E72-R74 VanDerWaalsContact C-N 3.34Å; E72-R74 PolarHBondContact O-N 3.46Å; R74-V76 VanDerWaalsContact C-N 3.34Å; R74-V76 PolarHBondContact O-N 3.24Å; R74-R77 PolarHBondContact O-N 2.85Å; R74-E78 VanDerWaalsContact O-CB 3.29Å; R74-E78 WeakPolarHBondContact O-CB 3.46Å; R74-E78 VanDerWaalsContact O-CG 3.27Å; R74-E78 WeakPolarHBondContact O-CG 3.39Å; R74-E78 PolarHBondContact O-N 3.01Å
75	S	67.1	Low	63.6	Low	68 Å²	68	113.4 Å²	113.4	48%	0.476	53%	0.531	S	S	.	.	H	α-helix	trans	-63.3	-39.9	179.2	75.4	0	0	0	0	112.4	K71 E72 E78 F79	K71-S75 PolarHBondContact O-N 3.23Å; E72-S75 PolarHBondContact O-N 3.16Å; E72-S75 VanDerWaalsContact O-N 3.16Å; E72-S75 PolarHBondContact O-OG 2.97Å; S75-E78 PolarHBondContact O-N 3.49Å; S75-F79 VanDerWaalsContact O-CB 3.31Å; S75-F79 WeakPolarHBondContact O-CB 3.49Å; S75-F79 PolarHBondContact O-N 2.91Å
76	V	65.5	Low	62.2	Low	69 Å²	69	117.9 Å²	117.9	42%	0.418	54%	0.544	S	S	.	.	H	α-helix	trans	-66.2	-46.2	175.8	176.1	0	0	0	0	110.9	E72 R74 F79 Y80	E72-V76 PolarHBondContact O-N 3.01Å; R74-V76 VanDerWaalsContact C-N 3.34Å; R74-V76 PolarHBondContact O-N 3.24Å; V76-F79 WeakPolarHBondContact O-CB 3.49Å; V76-F79 PolarHBondContact O-N 3Å; V76-Y80 HydrophobicContact CG1-CD2 3.75Å; V76-Y80 HydrophobicContact CG1-CE2 3.64Å; V76-Y80 WeakPolarHBondContact O-CD2 3.25Å; V76-Y80 PolarHBondContact O-N 3.47Å
77	R	65.5	Low	60.8	Low	128 Å²	128	115 Å²	115	48%	0.483	54%	0.535	S	S	.	.	H	α-helix	trans	-66.6	-37.6	176.5	-78.5	-179.4	176.3	169.1	-1.4	112.7	E68 L73 R74 F79 Y80 K81	E68-R77 VanDerWaalsContact CD-NH2 3.34Å; E68-R77 IonicContact OE1-NH2 2.78Å; E68-R77 IonicContact OE2-CZ 3.72Å; E68-R77 IonicContact OE2-NH1 2.75Å; E68-R77 PolarHBondContact OE2-NH1 3.37Å; E68-R77 IonicContact OE2-NH2 2.66Å; E68-R77 PolarHBondContact OE2-NH2 2.92Å; L73-R77 WeakPolarHBondContact O-CB 3.47Å; L73-R77 PolarHBondContact O-N 3.06Å; R74-R77 PolarHBondContact O-N 2.85Å; R77-F79 VanDerWaalsContact C-N 3.31Å; R77-Y80 PolarHBondContact O-N 3.03Å; R77-K81 VanDerWaalsContact O-CB 3.3Å; R77-K81 WeakPolarHBondContact O-CB 3.36Å; R77-K81 WeakPolarHBondContact O-CG 3.25Å; R77-K81 PolarHBondContact O-N 2.71Å
78	E	73.2	Confident	59.5	Low	111 Å²	111	112.3 Å²	112.3	52%	0.519	52%	0.524	S	S	.	.	H	α-helix	trans	-65.3	-37.3	173.8	-77.1	175.4	-166.8	0	0	111.1	R74 S75 K81 K82	R74-E78 VanDerWaalsContact O-CB 3.29Å; R74-E78 WeakPolarHBondContact O-CB 3.46Å; R74-E78 VanDerWaalsContact O-CG 3.27Å; R74-E78 WeakPolarHBondContact O-CG 3.39Å; R74-E78 PolarHBondContact O-N 3.01Å; S75-E78 PolarHBondContact O-N 3.49Å; E78-K81 PolarHBondContact O-N 3.39Å; E78-K82 WeakPolarHBondContact O-CB 3.26Å; E78-K82 VanDerWaalsContact O-CG 3.23Å; E78-K82 WeakPolarHBondContact O-CG 2.99Å; E78-K82 PolarHBondContact O-N 3.03Å
79	F	69.8	Low	58.7	Low	112 Å²	112	114.9 Å²	114.9	49%	0.491	55%	0.545	S	S	.	.	H	α-helix	trans	-63.6	-48.9	172	-175.8	-104.1	0	0	0	111.6	S75 V76 R77 K81 K82 I83	S75-F79 VanDerWaalsContact O-CB 3.31Å; S75-F79 WeakPolarHBondContact O-CB 3.49Å; S75-F79 PolarHBondContact O-N 2.91Å; V76-F79 WeakPolarHBondContact O-CB 3.49Å; V76-F79 PolarHBondContact O-N 3Å; R77-F79 VanDerWaalsContact C-N 3.31Å; F79-K81 PolarHBondContact O-N 3.11Å; F79-K82 WeakPolarHBondContact O-CB 3.16Å; F79-K82 PolarHBondContact O-N 2.84Å; F79-I83 HydrophobicContact CD1-CD1 3.7Å; F79-I83 HydrophobicContact CE1-CD1 3.4Å; F79-I83 VanDerWaalsContact CE1-CD1 3.4Å; F79-I83 HydrophobicContact CG-CD1 4.41Å; F79-I83 HydrophobicContact CZ-CD1 3.88Å; F79-I83 WeakPolarHBondContact O-CG1 3.17Å; F79-I83 PolarHBondContact O-N 2.89Å
80	Y	62.1	Low	58.4	Low	151 Å²	151	113.3 Å²	113.3	59%	0.592	54%	0.54	S	S	*	.	H	α-helix	trans	-61.6	-41.3	174.1	-83.2	-72.3	0	0	0	112.8	V76 R77 I83 E84	V76-Y80 HydrophobicContact CG1-CD2 3.75Å; V76-Y80 HydrophobicContact CG1-CE2 3.64Å; V76-Y80 WeakPolarHBondContact O-CD2 3.25Å; V76-Y80 PolarHBondContact O-N 3.47Å; R77-Y80 PolarHBondContact O-N 3.03Å; Y80-I83 WeakPolarHBondContact O-CB 3.23Å; Y80-I83 PolarHBondContact O-N 2.77Å; Y80-E84 WeakPolarHBondContact O-CB 3.5Å; Y80-E84 PolarHBondContact O-N 3.14Å
81	K	62.1	Low	57.4	Low	124 Å²	124	113 Å²	113	54%	0.539	54%	0.538	S	S	.	.	H	α-helix	trans	-69.7	-30.5	175.9	-80	-175.3	177.2	-178.4	0	112.9	R77 E78 F79 K85	R77-K81 VanDerWaalsContact O-CB 3.3Å; R77-K81 WeakPolarHBondContact O-CB 3.36Å; R77-K81 WeakPolarHBondContact O-CG 3.25Å; R77-K81 PolarHBondContact O-N 2.71Å; E78-K81 PolarHBondContact O-N 3.39Å; F79-K81 PolarHBondContact O-N 3.11Å; K81-K85 VanDerWaalsContact O-CB 3.24Å; K81-K85 WeakPolarHBondContact O-CB 3.45Å; K81-K85 VanDerWaalsContact O-CG 3.27Å; K81-K85 WeakPolarHBondContact O-CG 3.42Å; K81-K85 PolarHBondContact O-N 2.74Å
82	K	75.4	Confident	56.5	Low	123 Å²	123	108.7 Å²	108.7	54%	0.535	53%	0.527	S	S	.	.	H	α-helix	trans	-65	-48.6	170.3	-80.9	173.6	-176.8	178.8	0	109.3	E78 F79 E84 K85 E86	E78-K82 WeakPolarHBondContact O-CB 3.26Å; E78-K82 VanDerWaalsContact O-CG 3.23Å; E78-K82 WeakPolarHBondContact O-CG 2.99Å; E78-K82 PolarHBondContact O-N 3.03Å; F79-K82 WeakPolarHBondContact O-CB 3.16Å; F79-K82 PolarHBondContact O-N 2.84Å; K82-E84 VanDerWaalsContact C-N 3.31Å; K82-E84 PolarHBondContact O-N 3.26Å; K82-K85 PolarHBondContact O-N 3Å; K82-E86 WeakPolarHBondContact O-CB 3.15Å; K82-E86 WeakPolarHBondContact O-CG 3.46Å; K82-E86 PolarHBondContact O-N 2.83Å
83	I	59.3	Low	55.3	Low	69 Å²	69	103.1 Å²	103.1	35%	0.354	51%	0.51	S	S	.	.	H	α-helix	trans	-56.1	-45.8	173	-66.3	166.4	0	0	0	110.8	F79 Y80 E86 I87	F79-I83 HydrophobicContact CD1-CD1 3.7Å; F79-I83 HydrophobicContact CE1-CD1 3.4Å; F79-I83 VanDerWaalsContact CE1-CD1 3.4Å; F79-I83 HydrophobicContact CG-CD1 4.41Å; F79-I83 HydrophobicContact CZ-CD1 3.88Å; F79-I83 WeakPolarHBondContact O-CG1 3.17Å; F79-I83 PolarHBondContact O-N 2.89Å; Y80-I83 WeakPolarHBondContact O-CB 3.23Å; Y80-I83 PolarHBondContact O-N 2.77Å; I83-E86 PolarHBondContact O-N 3.27Å; I83-I87 HydrophobicContact CG2-CD1 4.05Å; I83-I87 WeakPolarHBondContact O-CD1 3.09Å; I83-I87 WeakPolarHBondContact O-CG1 3.46Å; I83-I87 PolarHBondContact O-N 3.11Å
84	E	45.8	Very low	54.7	Low	140 Å²	140	104.8 Å²	104.8	65%	0.654	51%	0.514	S	S	*	.	H	α-helix	trans	-71.6	-35.6	-177.1	-163.3	178.1	-162.1	0	0	113.2	Y80 K82	Y80-E84 WeakPolarHBondContact O-CB 3.5Å; Y80-E84 PolarHBondContact O-N 3.14Å; K82-E84 VanDerWaalsContact C-N 3.31Å; K82-E84 PolarHBondContact O-N 3.26Å
85	K	52.6	Low	53.8	Low	174 Å²	174	102.2 Å²	102.2	76%	0.757	51%	0.513	S	S	*	.	H	α-helix	trans	-77.3	-31.4	174.2	-74.5	-179.9	176.9	-174.8	0	112.9	K81 K82	K81-K85 VanDerWaalsContact O-CB 3.24Å; K81-K85 WeakPolarHBondContact O-CB 3.45Å; K81-K85 VanDerWaalsContact O-CG 3.27Å; K81-K85 WeakPolarHBondContact O-CG 3.42Å; K81-K85 PolarHBondContact O-N 2.74Å; K82-K85 PolarHBondContact O-N 3Å
86	E	45.8	Very low	52.7	Low	137 Å²	137	107.4 Å²	107.4	64%	0.64	52%	0.522	S	S	*	.	S	Bend	trans	-81	-3	174.8	-70.9	176	-177.2	0	0	112.7	K82 I83 P88	K82-E86 WeakPolarHBondContact O-CB 3.15Å; K82-E86 WeakPolarHBondContact O-CG 3.46Å; K82-E86 PolarHBondContact O-N 2.83Å; I83-E86 PolarHBondContact O-N 3.27Å; E86-P88 WeakPolarHBondContact O-CD 3.23Å
87	I	43.4	Very low	51.8	Low	82 Å²	82	108.8 Å²	108.8	42%	0.421	53%	0.527	S	S	.	.	S	Bend	trans	-94.3	92	157.6	-61.7	160.1	0	0	0	106.2	I83 V89 V92	I83-I87 HydrophobicContact CG2-CD1 4.05Å; I83-I87 WeakPolarHBondContact O-CD1 3.09Å; I83-I87 WeakPolarHBondContact O-CG1 3.46Å; I83-I87 PolarHBondContact O-N 3.11Å; I87-V89 PolarHBondContact O-N 3.14Å; I87-V92 HydrophobicContact CG2-CG2 4.38Å
88	P	38.5	Very low	50.5	Low	57 Å²	57	106.3 Å²	106.3	37%	0.37	53%	0.526	S	S	.	.			trans	-49.7	131.1	172	-17.5	17.6	0	0	0	109.5	E86 D90 T91	E86-P88 WeakPolarHBondContact O-CD 3.23Å; P88-D90 WeakPolarHBondContact CB-OD1 3.16Å; P88-D90 PolarHBondContact O-N 3.45Å; P88-D90 VanDerWaalsContact O-N 3.07Å; P88-T91 WeakPolarHBondContact O-CA 3.41Å; P88-T91 WeakPolarHBondContact O-CB 3.37Å; P88-T91 PolarHBondContact O-N 3.02Å; P88-T91 PolarHBondContact O-OG1 2.77Å
89	V	45.1	Very low	48.8	Very low	129 Å²	129	107.8 Å²	107.8	78%	0.782	53%	0.531	S	S	*	.	H	α-helix	trans	-57.8	-23.5	-179.5	-174.4	0	0	0	0	111.3	I87 T91 V92 G93	I87-V89 PolarHBondContact O-N 3.14Å; V89-T91 VanDerWaalsContact C-N 3.28Å; V89-T91 PolarHBondContact O-N 3.37Å; V89-V92 PolarHBondContact O-N 3.15Å; V89-G93 PolarHBondContact O-N 3.48Å
90	D	47.1	Very low	47.1	Very low	85 Å²	85	108 Å²	108	46%	0.455	53%	0.534	S	S	.	.	H	α-helix	trans	-70.2	-17.8	171	56.1	-59.7	0	0	0	113.9	P88 K94	P88-D90 WeakPolarHBondContact CB-OD1 3.16Å; P88-D90 PolarHBondContact O-N 3.45Å; P88-D90 VanDerWaalsContact O-N 3.07Å; D90-K94 WeakPolarHBondContact O-CB 3.2Å; D90-K94 WeakPolarHBondContact O-CD 3.35Å; D90-K94 WeakPolarHBondContact O-CG 3.33Å; D90-K94 PolarHBondContact O-N 3.39Å; D90-K94 IonicContact OD2-NZ 3.21Å; D90-K94 PolarHBondContact OD2-NZ 2.91Å
91	T	46	Very low	45.8	Very low	58 Å²	58	103 Å²	103	36%	0.356	52%	0.521	S	S	.	.	H	α-helix	trans	-73.5	-38.8	171.5	-49.3	0	0	0	0	111	P88 V89 G93 K94 V95	P88-T91 WeakPolarHBondContact O-CA 3.41Å; P88-T91 WeakPolarHBondContact O-CB 3.37Å; P88-T91 PolarHBondContact O-N 3.02Å; P88-T91 PolarHBondContact O-OG1 2.77Å; V89-T91 VanDerWaalsContact C-N 3.28Å; V89-T91 PolarHBondContact O-N 3.37Å; T91-G93 VanDerWaalsContact C-N 3.28Å; T91-G93 PolarHBondContact O-N 3.41Å; T91-K94 PolarHBondContact O-N 3.09Å; T91-V95 HydrophobicContact CG2-CG2 3.88Å; T91-V95 WeakPolarHBondContact O-CB 3.26Å; T91-V95 WeakPolarHBondContact O-CG2 3.26Å; T91-V95 PolarHBondContact O-N 3.41Å
92	V	42.6	Very low	44.9	Very low	96 Å²	96	100.4 Å²	100.4	58%	0.582	52%	0.515	S	S	*	.	H	α-helix	trans	-65.8	-35.4	174.6	-179.3	0	0	0	0	110.7	I87 V89 R96	I87-V92 HydrophobicContact CG2-CG2 4.38Å; V89-V92 PolarHBondContact O-N 3.15Å; V92-R96 VanDerWaalsContact O-CB 3.29Å; V92-R96 WeakPolarHBondContact O-CB 3.34Å; V92-R96 PolarHBondContact O-N 3.41Å; V92-R96 VanDerWaalsContact O-N 3.07Å
93	G	41.7	Very low	43	Very low	32 Å²	32	101.1 Å²	101.1	33%	0.33	52%	0.518	S	S	.	.	H	α-helix	trans	-65.2	-53.2	171.6	0	0	0	0	0	112.8	V89 T91 V95 R96 D97	V89-G93 PolarHBondContact O-N 3.48Å; T91-G93 VanDerWaalsContact C-N 3.28Å; T91-G93 PolarHBondContact O-N 3.41Å; G93-V95 PolarHBondContact O-N 2.95Å; G93-R96 WeakPolarHBondContact O-CB 3.48Å; G93-R96 PolarHBondContact O-N 2.87Å; G93-R96 VanDerWaalsContact O-N 3.15Å; G93-D97 VanDerWaalsContact O-CG 3.24Å; G93-D97 PolarHBondContact O-N 3.24Å
94	K	41.1	Very low	41.8	Very low	119 Å²	119	100.9 Å²	100.9	52%	0.517	52%	0.523	S	S	.	.	H	α-helix	trans	-65.7	-35.3	179.7	-71.2	165.3	-174.3	159.4	0	112.7	D90 T91 R96 D97 T98	D90-K94 WeakPolarHBondContact O-CB 3.2Å; D90-K94 WeakPolarHBondContact O-CD 3.35Å; D90-K94 WeakPolarHBondContact O-CG 3.33Å; D90-K94 PolarHBondContact O-N 3.39Å; D90-K94 IonicContact OD2-NZ 3.21Å; D90-K94 PolarHBondContact OD2-NZ 2.91Å; T91-K94 PolarHBondContact O-N 3.09Å; K94-R96 VanDerWaalsContact C-N 3.34Å; K94-D97 PolarHBondContact O-N 3.05Å; K94-T98 VanDerWaalsContact O-CB 3.29Å; K94-T98 WeakPolarHBondContact O-CB 3.36Å; K94-T98 VanDerWaalsContact O-CG2 3.23Å; K94-T98 WeakPolarHBondContact O-CG2 3.47Å; K94-T98 PolarHBondContact O-N 2.79Å; K94-T98 PolarHBondContact O-OG1 3.05Å
95	V	39.8	Very low	41.2	Very low	82 Å²	82	102.5 Å²	102.5	50%	0.497	52%	0.523	S	S	.	.	H	α-helix	trans	-67.6	-37.6	174.5	171.2	0	0	0	0	110.1	T91 G93 T98 F99	T91-V95 HydrophobicContact CG2-CG2 3.88Å; T91-V95 WeakPolarHBondContact O-CB 3.26Å; T91-V95 WeakPolarHBondContact O-CG2 3.26Å; T91-V95 PolarHBondContact O-N 3.41Å; G93-V95 PolarHBondContact O-N 2.95Å; V95-T98 VanDerWaalsContact CA-OG1 3.28Å; V95-T98 WeakPolarHBondContact CA-OG1 3.43Å; V95-T98 PolarHBondContact O-OG1 2.8Å; V95-T98 VanDerWaalsContact O-OG1 3.11Å; V95-F99 WeakPolarHBondContact O-CB 3.28Å; V95-F99 PolarHBondContact O-N 3.47Å
96	R	44.3	Very low	40.5	Very low	177 Å²	177	99.6 Å²	99.6	67%	0.668	51%	0.514	S	S	*	.	H	α-helix	trans	-67	-41.8	173.5	-170.2	174.7	-173.5	161.5	1.8	112.3	V92 G93 K94 F99 Q100	V92-R96 VanDerWaalsContact O-CB 3.29Å; V92-R96 WeakPolarHBondContact O-CB 3.34Å; V92-R96 PolarHBondContact O-N 3.41Å; V92-R96 VanDerWaalsContact O-N 3.07Å; G93-R96 WeakPolarHBondContact O-CB 3.48Å; G93-R96 PolarHBondContact O-N 2.87Å; G93-R96 VanDerWaalsContact O-N 3.15Å; K94-R96 VanDerWaalsContact C-N 3.34Å; R96-F99 PolarHBondContact O-N 3.45Å; R96-Q100 WeakPolarHBondContact O-CB 3.47Å; R96-Q100 PolarHBondContact O-N 3.27Å
97	D	46.4	Very low	39.9	Very low	98 Å²	98	102.8 Å²	102.8	52%	0.524	52%	0.521	S	S	.	.	H	α-helix	trans	-73.2	-37.6	-179.4	-64.1	-21.8	0	0	0	112.1	G93 K94 S101	G93-D97 VanDerWaalsContact O-CG 3.24Å; G93-D97 PolarHBondContact O-N 3.24Å; K94-D97 PolarHBondContact O-N 3.05Å; D97-S101 WeakPolarHBondContact O-CB 3.28Å; D97-S101 PolarHBondContact O-N 3.09Å; D97-S101 PolarHBondContact O-OG 3.35Å
98	T	38.4	Very low	39.6	Very low	76 Å²	76	104.8 Å²	104.8	47%	0.466	53%	0.532	S	S	.	.	H	α-helix	trans	-67.6	-41.7	170.8	51.3	0	0	0	0	110.8	K94 V95 Q100 S101 V102	K94-T98 VanDerWaalsContact O-CB 3.29Å; K94-T98 WeakPolarHBondContact O-CB 3.36Å; K94-T98 VanDerWaalsContact O-CG2 3.23Å; K94-T98 WeakPolarHBondContact O-CG2 3.47Å; K94-T98 PolarHBondContact O-N 2.79Å; K94-T98 PolarHBondContact O-OG1 3.05Å; V95-T98 VanDerWaalsContact CA-OG1 3.28Å; V95-T98 WeakPolarHBondContact CA-OG1 3.43Å; V95-T98 PolarHBondContact O-OG1 2.8Å; V95-T98 VanDerWaalsContact O-OG1 3.11Å; T98-Q100 PolarHBondContact O-N 2.7Å; T98-S101 WeakPolarHBondContact CA-OG 3.41Å; T98-S101 PolarHBondContact O-N 3.27Å; T98-S101 PolarHBondContact O-OG 3.09Å; T98-S101 VanDerWaalsContact O-OG 3.05Å; T98-V102 WeakPolarHBondContact O-CB 3.45Å; T98-V102 WeakPolarHBondContact O-CG2 3.19Å; T98-V102 PolarHBondContact O-N 2.86Å
99	F	38.4	Very low	39.1	Very low	142 Å²	142	106.3 Å²	106.3	62%	0.623	54%	0.537	S	S	*	.	H	α-helix	trans	-66.6	-35.8	176.2	-162.7	-99.4	0	0	0	112.4	V95 R96 K103	V95-F99 WeakPolarHBondContact O-CB 3.28Å; V95-F99 PolarHBondContact O-N 3.47Å; R96-F99 PolarHBondContact O-N 3.45Å; F99-K103 WeakPolarHBondContact O-CB 3.21Å; F99-K103 PolarHBondContact O-N 3.32Å
100	Q	34.4	Very low	38.4	Very low	117 Å²	117	104 Å²	104	55%	0.547	53%	0.532	S	S	.	.	H	α-helix	trans	-70.5	-41.7	173.2	-90.3	-175.6	-28.2	0	0	113	R96 T98 K103 S104	R96-Q100 WeakPolarHBondContact O-CB 3.47Å; R96-Q100 PolarHBondContact O-N 3.27Å; T98-Q100 PolarHBondContact O-N 2.7Å; Q100-K103 PolarHBondContact O-N 3.24Å; Q100-S104 PolarHBondContact O-N 3.01Å; Q100-S104 PolarHBondContact O-OG 3.2Å
101	S	33.8	Very low	37.8	Very low	46 Å²	46	108.4 Å²	108.4	32%	0.322	55%	0.549	S	S	.	.	H	α-helix	trans	-70.5	-33.2	176.5	55.5	0	0	0	0	112.6	D97 T98 S104 R105	D97-S101 WeakPolarHBondContact O-CB 3.28Å; D97-S101 PolarHBondContact O-N 3.09Å; D97-S101 PolarHBondContact O-OG 3.35Å; T98-S101 WeakPolarHBondContact CA-OG 3.41Å; T98-S101 PolarHBondContact O-N 3.27Å; T98-S101 PolarHBondContact O-OG 3.09Å; T98-S101 VanDerWaalsContact O-OG 3.05Å; S101-S104 WeakPolarHBondContact CA-OG 3.38Å; S101-S104 PolarHBondContact O-OG 3.1Å; S101-S104 VanDerWaalsContact O-OG 3.05Å; S101-R105 VanDerWaalsContact O-CB 3.31Å; S101-R105 WeakPolarHBondContact O-CB 3.5Å; S101-R105 VanDerWaalsContact O-CG 3.25Å; S101-R105 WeakPolarHBondContact O-CG 3.18Å; S101-R105 PolarHBondContact O-N 3.28Å
102	V	42.7	Very low	37.2	Very low	69 Å²	69	113.7 Å²	113.7	42%	0.418	57%	0.57	S	S	.	*	H	α-helix	trans	-71	-41	172.1	170.5	0	0	0	0	110.3	T98 S104 R105 I106	T98-V102 WeakPolarHBondContact O-CB 3.45Å; T98-V102 WeakPolarHBondContact O-CG2 3.19Å; T98-V102 PolarHBondContact O-N 2.86Å; V102-S104 VanDerWaalsContact C-N 3.32Å; V102-S104 PolarHBondContact O-N 2.96Å; V102-R105 PolarHBondContact O-N 3.15Å; V102-I106 HydrophobicContact CG1-CD1 3.38Å; V102-I106 HydrophobicContact CG1-CG1 4.08Å; V102-I106 VanDerWaalsContact O-CB 3.23Å; V102-I106 WeakPolarHBondContact O-CB 3.41Å; V102-I106 WeakPolarHBondContact O-CG1 3.14Å; V102-I106 PolarHBondContact O-N 2.95Å
103	K	35.7	Very low	36.6	Very low	138 Å²	138	117.8 Å²	117.8	60%	0.6	58%	0.58	S	S	*	*	H	α-helix	trans	-63.7	-34.7	174	-173	173.4	-176.3	174.1	0	112.7	F99 Q100 R107	F99-K103 WeakPolarHBondContact O-CB 3.21Å; F99-K103 PolarHBondContact O-N 3.32Å; Q100-K103 PolarHBondContact O-N 3.24Å; K103-R107 WeakPolarHBondContact O-CB 3.42Å; K103-R107 PolarHBondContact O-N 3.08Å
104	S	33.7	Very low	36.1	Very low	64 Å²	64	122.4 Å²	122.4	45%	0.448	60%	0.603	S	S	.	*	H	α-helix	trans	-79	-35.1	176.1	63.5	0	0	0	0	113.1	Q100 S101 V102 R107 N108	Q100-S104 PolarHBondContact O-N 3.01Å; Q100-S104 PolarHBondContact O-OG 3.2Å; S101-S104 WeakPolarHBondContact CA-OG 3.38Å; S101-S104 PolarHBondContact O-OG 3.1Å; S101-S104 VanDerWaalsContact O-OG 3.05Å; V102-S104 VanDerWaalsContact C-N 3.32Å; V102-S104 PolarHBondContact O-N 2.96Å; S104-R107 PolarHBondContact O-N 3.42Å; S104-N108 PolarHBondContact O-N 3.35Å
105	R	33.8	Very low	35.6	Very low	175 Å²	175	124.7 Å²	124.7	66%	0.66	62%	0.615	S	S	*	*	H	α-helix	trans	-68.9	-44.1	172.8	-75.4	178.9	-179.8	-178.4	0.5	112.4	S101 V102 R107 N108 D109	S101-R105 VanDerWaalsContact O-CB 3.31Å; S101-R105 WeakPolarHBondContact O-CB 3.5Å; S101-R105 VanDerWaalsContact O-CG 3.25Å; S101-R105 WeakPolarHBondContact O-CG 3.18Å; S101-R105 PolarHBondContact O-N 3.28Å; V102-R105 PolarHBondContact O-N 3.15Å; R105-R107 PolarHBondContact O-N 2.97Å; R105-N108 PolarHBondContact O-N 3.48Å; R105-N108 VanDerWaalsContact O-N 3.14Å; R105-D109 WeakPolarHBondContact O-CB 3.04Å; R105-D109 PolarHBondContact O-N 3.45Å
106	I	37.2	Very low	35.2	Very low	113 Å²	113	126.8 Å²	126.8	58%	0.579	62%	0.623	S	S	*	*	H	α-helix	trans	-62	-31	176.1	-69.7	172	0	0	0	111.3	V102 A110	V102-I106 HydrophobicContact CG1-CD1 3.38Å; V102-I106 HydrophobicContact CG1-CG1 4.08Å; V102-I106 VanDerWaalsContact O-CB 3.23Å; V102-I106 WeakPolarHBondContact O-CB 3.41Å; V102-I106 WeakPolarHBondContact O-CG1 3.14Å; V102-I106 PolarHBondContact O-N 2.95Å; I106-A110 WeakPolarHBondContact O-CB 3.23Å
107	R	33.6	Very low	34.8	Very low	204 Å²	204	126.8 Å²	126.8	77%	0.77	63%	0.631	S	S	*	*	H	α-helix	trans	-73.5	-27.9	178	-159.9	172.3	-148.2	156.8	5.6	113.6	K103 S104 R105	K103-R107 WeakPolarHBondContact O-CB 3.42Å; K103-R107 PolarHBondContact O-N 3.08Å; S104-R107 PolarHBondContact O-N 3.42Å; R105-R107 PolarHBondContact O-N 2.97Å
108	N	36.7	Very low	34.2	Very low	123 Å²	123	126.8 Å²	126.8	66%	0.658	64%	0.635	S	S	*	*	H	α-helix	trans	-99.9	-30.3	-177.6	-68.3	-8.2	0	0	0	112.9	S104 R105	S104-N108 PolarHBondContact O-N 3.35Å; R105-N108 PolarHBondContact O-N 3.48Å; R105-N108 VanDerWaalsContact O-N 3.14Å
109	D	29.1	Very low	34.1	Very low	89 Å²	89	127.9 Å²	127.9	48%	0.476	64%	0.641	S	S	.	*	H	α-helix	trans	-94	-5.2	-174.6	-64.2	-20.4	0	0	0	113.8	R105 Q111 Q112 F113	R105-D109 WeakPolarHBondContact O-CB 3.04Å; R105-D109 PolarHBondContact O-N 3.45Å; D109-Q111 PolarHBondContact O-N 2.86Å; D109-Q112 PolarHBondContact O-N 2.9Å; D109-F113 HydrophobicContact CB-CE2 4.2Å; D109-F113 WeakPolarHBondContact O-CD2 3.28Å
110	A	31.1	Very low	33.7	Very low	81 Å²	81	131.1 Å²	131.1	67%	0.669	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-9.5	173.3	0	0	0	0	0	113.9	I106	I106-A110 WeakPolarHBondContact O-CB 3.23Å
111	Q	32.6	Very low	33.5	Very low	177 Å²	177	133.1 Å²	133.1	83%	0.827	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-0.5	177	-75.6	-172.9	-20.8	0	0	115.4	D109	D109-Q111 PolarHBondContact O-N 2.86Å
112	Q	34.4	Very low	33.2	Very low	169 Å²	169	133 Å²	133	79%	0.79	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.8	7.4	179.4	-73.2	-162.4	-10.7	0	0	117.2	D109 T114	D109-Q112 PolarHBondContact O-N 2.9Å; Q112-T114 VanDerWaalsContact C-N 3.35Å; Q112-T114 PolarHBondContact O-N 3.11Å
113	F	29.2	Very low	32.5	Very low	182 Å²	182	134.5 Å²	134.5	80%	0.798	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	24.3	178.4	-81.8	-76.8	0	0	0	115.6	D109	D109-F113 HydrophobicContact CB-CE2 4.2Å; D109-F113 WeakPolarHBondContact O-CD2 3.28Å
114	T	32.7	Very low	32.3	Very low	130 Å²	130	134.7 Å²	134.7	80%	0.798	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-0.9	174.5	39.6	0	0	0	0	115.5	Q112	Q112-T114 VanDerWaalsContact C-N 3.35Å; Q112-T114 PolarHBondContact O-N 3.11Å
115	Q	30.2	Very low	32.2	Very low	166 Å²	166	137.5 Å²	137.5	78%	0.776	68%	0.684	S	S	*	*			trans	-147.1	103.4	173.5	-64.7	-174.5	25.9	0	0	111.5
116	N	30.2	Very low	32	Very low	126 Å²	126	135.8 Å²	135.8	67%	0.674	69%	0.687	S	S	*	*			trans	-159	97.6	146.6	-91.9	-33.2	0	0	0	110	T118 V119	N116-T118 PolarHBondContact O-N 3.32Å; N116-V119 PolarHBondContact O-N 3.19Å
117	E	37.5	Very low	31.6	Very low	177 Å²	177	134.7 Å²	134.7	83%	0.827	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-8.3	169.4	-147.2	167.1	-167.5	0	0	112.5	V119	E117-V119 PolarHBondContact O-N 2.92Å
118	T	33.7	Very low	31.6	Very low	98 Å²	98	133.6 Å²	133.6	60%	0.601	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-24.1	178.1	-22.1	0	0	0	0	113.9	N116 R120 K121	N116-T118 PolarHBondContact O-N 3.32Å; T118-R120 VanDerWaalsContact C-N 3.29Å; T118-R120 PolarHBondContact O-N 3.42Å; T118-K121 PolarHBondContact O-N 2.66Å
119	V	35.3	Very low	31.3	Very low	100 Å²	100	130.9 Å²	130.9	61%	0.606	69%	0.685	S	S	*	*	H	α-helix	trans	-68.8	-26.6	-176.8	179.9	0	0	0	0	112.3	N116 E117 K121 G122	N116-V119 PolarHBondContact O-N 3.19Å; E117-V119 PolarHBondContact O-N 2.92Å; V119-K121 VanDerWaalsContact C-N 3.32Å; V119-K121 PolarHBondContact O-N 2.81Å; V119-G122 PolarHBondContact O-N 3.16Å
120	R	30.4	Very low	31.1	Very low	210 Å²	210	128.9 Å²	128.9	79%	0.792	69%	0.686	S	S	*	*	H	α-helix	trans	-65.6	-31.7	176.6	-82.2	-177.3	172.4	164.2	-2.2	113.3	T118	T118-R120 VanDerWaalsContact C-N 3.29Å; T118-R120 PolarHBondContact O-N 3.42Å
121	K	30.6	Very low	31.2	Very low	158 Å²	158	133.2 Å²	133.2	69%	0.687	69%	0.692	S	S	*	*	H	α-helix	trans	-79.8	-21.9	179.9	-65.9	-173.7	178.7	180	0	113.5	T118 V119	T118-K121 PolarHBondContact O-N 2.66Å; V119-K121 VanDerWaalsContact C-N 3.32Å; V119-K121 PolarHBondContact O-N 2.81Å
122	G	27	Very low	31.2	Very low	44 Å²	44	132.8 Å²	132.8	45%	0.454	69%	0.69	S	S	.	*	H	α-helix	trans	-74.9	-31.6	176.4	0	0	0	0	0	113.5	V119 L126	V119-G122 PolarHBondContact O-N 3.16Å; G122-L126 PolarHBondContact O-N 3.29Å
123	V	28.8	Very low	31.1	Very low	100 Å²	100	129.1 Å²	129.1	61%	0.606	68%	0.679	S	S	*	*	H	α-helix	trans	-75.3	-31.7	-176.8	175.9	0	0	0	0	112.2	N125 L126	V123-N125 PolarHBondContact O-N 2.89Å; V123-L126 PolarHBondContact O-N 2.77Å
124	E	31.3	Very low	31.3	Very low	143 Å²	143	127.9 Å²	127.9	67%	0.668	67%	0.673	S	S	*	*	H	α-helix	trans	-69.1	-34.4	177.3	-74	-176.9	160.3	0	0	112.8	S127	E124-S127 PolarHBondContact O-OG 2.92Å
125	N	31.2	Very low	31.8	Very low	122 Å²	122	127 Å²	127	65%	0.652	66%	0.664	S	S	*	*	H	α-helix	trans	-81.4	-19.6	179.8	-71.5	-18.6	0	0	0	113.8	V123 S127	V123-N125 PolarHBondContact O-N 2.89Å; N125-S127 VanDerWaalsContact C-N 3.32Å
126	L	29.4	Very low	32	Very low	139 Å²	139	121.9 Å²	121.9	73%	0.728	65%	0.65	S	S	*	*	H	α-helix	trans	-74.9	-24.7	174.9	-138.6	74.6	0	0	0	112.4	G122 V123 K128	G122-L126 PolarHBondContact O-N 3.29Å; V123-L126 PolarHBondContact O-N 2.77Å; L126-K128 PolarHBondContact O-N 3.49Å
127	S	29.8	Very low	32.1	Very low	91 Å²	91	119.7 Å²	119.7	64%	0.636	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-22.3	176.2	73.7	0	0	0	0	113.6	E124 N125	E124-S127 PolarHBondContact O-OG 2.92Å; N125-S127 VanDerWaalsContact C-N 3.32Å
128	K	33.7	Very low	32	Very low	180 Å²	180	117.5 Å²	117.5	78%	0.783	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	-10.3	-176.3	-66.8	-175.3	179.1	177.4	0	114.6	L126 G130	L126-K128 PolarHBondContact O-N 3.49Å; K128-G130 VanDerWaalsContact C-N 3.35Å
129	A	28.7	Very low	32.3	Very low	66 Å²	66	116.6 Å²	116.6	55%	0.545	63%	0.626	S	S	.	*	S	Bend	trans	-91.2	3.8	175	0	0	0	0	0	113.4
130	G	26.4	Very low	32.6	Very low	47 Å²	47	117.2 Å²	117.2	49%	0.485	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.7	-8.1	-171.2	0	0	0	0	0	117	K128	K128-G130 VanDerWaalsContact C-N 3.35Å
131	E	33.2	Very low	33.6	Very low	172 Å²	172	109.7 Å²	109.7	80%	0.804	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-24.6	-177.9	-72.2	-169	150.6	0	0	113.9
132	H	31.7	Very low	34.2	Very low	168 Å²	168	108.2 Å²	108.2	78%	0.778	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-0.8	-178	-75.1	-70.5	0	0	0	115.4
133	V	33.1	Very low	36	Very low	92 Å²	92	109.3 Å²	109.3	56%	0.558	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-12.2	177.5	-176.1	0	0	0	0	112.4	D135 T137	V133-D135 PolarHBondContact O-N 3.03Å; V133-T137 PolarHBondContact O-N 3.25Å; V133-T137 PolarHBondContact O-OG1 3.4Å
134	K	33.4	Very low	37.5	Very low	157 Å²	157	111.1 Å²	111.1	68%	0.683	60%	0.601	S	S	*	*	H	α-helix	trans	-66.8	-31.5	-179.4	-86.8	-177.1	175.8	174.8	0	114.3
135	D	41.8	Very low	38.6	Very low	112 Å²	112	112 Å²	112	60%	0.599	60%	0.603	S	S	*	*	H	α-helix	trans	-86	-32.4	-174.5	-68.5	-30	0	0	0	113.4	V133 T137 K138	V133-D135 PolarHBondContact O-N 3.03Å; D135-T137 VanDerWaalsContact C-N 3.27Å; D135-T137 PolarHBondContact O-N 3Å; D135-K138 IonicContact OD1-NZ 3.92Å
136	A	35.1	Very low	39.4	Very low	58 Å²	58	109.3 Å²	109.3	48%	0.479	59%	0.588	S	S	.	*	H	α-helix	trans	-69.9	-25.4	171.7	0	0	0	0	0	112.5	S139	A136-S139 PolarHBondContact O-OG 2.85Å
137	T	32.1	Very low	41	Very low	79 Å²	79	106.5 Å²	106.5	49%	0.485	57%	0.57	S	S	.	*	H	α-helix	trans	-74.4	-26.3	-178.1	-53.6	0	0	0	0	112.6	V133 D135 S141	V133-T137 PolarHBondContact O-N 3.25Å; V133-T137 PolarHBondContact O-OG1 3.4Å; D135-T137 VanDerWaalsContact C-N 3.27Å; D135-T137 PolarHBondContact O-N 3Å; T137-S141 PolarHBondContact O-N 3.46Å; T137-S141 VanDerWaalsContact O-N 3.09Å
138	K	35.4	Very low	42.8	Very low	131 Å²	131	105.1 Å²	105.1	57%	0.57	56%	0.564	S	S	*	*	H	α-helix	trans	-70.7	-40.5	-178.3	-72.3	176	-177.1	165	0	113.2	D135 L140 S141 E142	D135-K138 IonicContact OD1-NZ 3.92Å; K138-L140 VanDerWaalsContact C-N 3.34Å; K138-L140 PolarHBondContact O-N 3.22Å; K138-S141 PolarHBondContact O-N 3.43Å; K138-S141 PolarHBondContact O-OG 3.17Å; K138-E142 PolarHBondContact O-N 3.26Å
139	S	41.1	Very low	44	Very low	79 Å²	79	99.2 Å²	99.2	55%	0.552	55%	0.548	S	S	*	.	H	α-helix	trans	-70.1	-31.2	178.5	57.5	0	0	0	0	112.8	A136	A136-S139 PolarHBondContact O-OG 2.85Å
140	L	41.3	Very low	45.7	Very low	113 Å²	113	100.8 Å²	100.8	59%	0.592	55%	0.546	S	S	*	.	H	α-helix	trans	-70.6	-37.1	172.4	-86.2	137	0	0	0	111.9	K138 E142 T143 I146	K138-L140 VanDerWaalsContact C-N 3.34Å; K138-L140 PolarHBondContact O-N 3.22Å; L140-E142 PolarHBondContact O-N 2.92Å; L140-T143 PolarHBondContact O-N 2.93Å; L140-T143 PolarHBondContact O-OG1 2.71Å; L140-I146 VanDerWaalsContact O-CD1 3.31Å; L140-I146 WeakPolarHBondContact O-CD1 3.29Å
141	S	50.4	Low	47.6	Very low	53 Å²	53	105 Å²	105	37%	0.371	55%	0.551	S	S	.	*	H	α-helix	trans	-65.6	-16.2	177.7	75.5	0	0	0	0	114.7	T137 K138	T137-S141 PolarHBondContact O-N 3.46Å; T137-S141 VanDerWaalsContact O-N 3.09Å; K138-S141 PolarHBondContact O-N 3.43Å; K138-S141 PolarHBondContact O-OG 3.17Å
142	E	43.1	Very low	49	Very low	126 Å²	126	98 Å²	98	59%	0.589	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-15.9	-177.5	-78.2	-177.7	-178.8	0	0	114.7	K138 L140 E144 K147	K138-E142 PolarHBondContact O-N 3.26Å; L140-E142 PolarHBondContact O-N 2.92Å; E142-E144 PolarHBondContact O-N 3.33Å; E142-K147 PolarHBondContact O-NZ 3.43Å
143	T	64.1	Low	50.5	Low	68 Å²	68	95 Å²	95	42%	0.417	52%	0.519	S	S	.	.	S	Bend	trans	-58.8	127.8	177	41	0	0	0	0	109.9	L140 F145 I146 K147	L140-T143 PolarHBondContact O-N 2.93Å; L140-T143 PolarHBondContact O-OG1 2.71Å; T143-F145 PolarHBondContact O-N 3.46Å; T143-I146 PolarHBondContact O-N 3.11Å; T143-K147 PolarHBondContact O-N 2.9Å; T143-K147 VanDerWaalsContact O-N 3.14Å
144	E	60.3	Low	51.7	Low	137 Å²	137	95.3 Å²	95.3	64%	0.64	51%	0.514	S	S	*	.	H	α-helix	trans	-50.5	-30.3	-176.4	-71.6	-66.9	128.5	0	0	112.5	E142 A148	E142-E144 PolarHBondContact O-N 3.33Å; E144-A148 WeakPolarHBondContact O-CB 3.4Å; E144-A148 PolarHBondContact O-N 2.85Å
145	F	54.8	Low	53.1	Low	162 Å²	162	91.5 Å²	91.5	71%	0.711	50%	0.504	S	S	*	.	H	α-helix	trans	-65.4	-42.2	174.5	-60.5	-76.3	0	0	0	113.8	T143 A148 A149	T143-F145 PolarHBondContact O-N 3.46Å; F145-A148 PolarHBondContact O-N 2.85Å; F145-A149 VanDerWaalsContact O-CB 3.24Å; F145-A149 WeakPolarHBondContact O-CB 3.18Å; F145-A149 PolarHBondContact O-N 3.46Å
146	I	49.1	Very low	53.9	Low	66 Å²	66	89.3 Å²	89.3	34%	0.338	50%	0.495	S	S	.	.	H	α-helix	trans	-73.6	-38.3	177.3	-70.4	173.1	0	0	0	109.9	L140 T143 A148 A149 I150	L140-I146 VanDerWaalsContact O-CD1 3.31Å; L140-I146 WeakPolarHBondContact O-CD1 3.29Å; T143-I146 PolarHBondContact O-N 3.11Å; I146-A148 VanDerWaalsContact C-N 3.34Å; I146-A148 PolarHBondContact O-N 2.69Å; I146-A149 PolarHBondContact O-N 3.38Å; I146-I150 HydrophobicContact CG2-CD1 3.59Å; I146-I150 HydrophobicContact CG2-CG1 4.11Å; I146-I150 WeakPolarHBondContact O-CB 3.06Å; I146-I150 WeakPolarHBondContact O-CG1 3.44Å; I146-I150 PolarHBondContact O-N 3.41Å
147	K	61.5	Low	54.6	Low	80 Å²	80	87.7 Å²	87.7	35%	0.348	48%	0.483	S	S	.	.	H	α-helix	trans	-62.6	-41.3	171.9	-71.1	-179.8	-176	153.8	0	112	E142 T143 K151	E142-K147 PolarHBondContact O-NZ 3.43Å; T143-K147 PolarHBondContact O-N 2.9Å; T143-K147 VanDerWaalsContact O-N 3.14Å; K147-K151 VanDerWaalsContact O-CB 3.23Å; K147-K151 WeakPolarHBondContact O-CB 3.31Å; K147-K151 WeakPolarHBondContact O-CG 3.45Å; K147-K151 PolarHBondContact O-N 3.43Å
148	A	68.1	Low	55.6	Low	62 Å²	62	89.4 Å²	89.4	51%	0.512	48%	0.484	S	S	.	.	H	α-helix	trans	-67.7	-37.9	175.9	0	0	0	0	0	111.7	E144 F145 I146 G152	E144-A148 WeakPolarHBondContact O-CB 3.4Å; E144-A148 PolarHBondContact O-N 2.85Å; F145-A148 PolarHBondContact O-N 2.85Å; I146-A148 VanDerWaalsContact C-N 3.34Å; I146-A148 PolarHBondContact O-N 2.69Å; A148-G152 WeakPolarHBondContact O-CA 3.34Å; A148-G152 PolarHBondContact O-N 3.46Å
149	A	58.7	Low	56.2	Low	56 Å²	56	88.9 Å²	88.9	46%	0.463	48%	0.483	S	S	.	.	H	α-helix	trans	-68.3	-43.3	174.2	0	0	0	0	0	111.9	F145 I146 G152 V153	F145-A149 VanDerWaalsContact O-CB 3.24Å; F145-A149 WeakPolarHBondContact O-CB 3.18Å; F145-A149 PolarHBondContact O-N 3.46Å; I146-A149 PolarHBondContact O-N 3.38Å; A149-G152 CarbonylContact O-C 3.51Å; A149-G152 PolarHBondContact O-N 2.8Å; A149-V153 WeakPolarHBondContact O-CB 3.43Å; A149-V153 WeakPolarHBondContact O-CG2 3Å; A149-V153 PolarHBondContact O-N 3.18Å
150	I	64.2	Low	56.5	Low	98 Å²	98	89.6 Å²	89.6	50%	0.503	48%	0.48	S	S	.	.	H	α-helix	trans	-63.7	-47.3	174.7	-69.2	167.5	0	0	0	109.9	I146 G152 V153 E154	I146-I150 HydrophobicContact CG2-CD1 3.59Å; I146-I150 HydrophobicContact CG2-CG1 4.11Å; I146-I150 WeakPolarHBondContact O-CB 3.06Å; I146-I150 WeakPolarHBondContact O-CG1 3.44Å; I146-I150 PolarHBondContact O-N 3.41Å; I150-G152 VanDerWaalsContact C-N 3.28Å; I150-G152 PolarHBondContact O-N 2.9Å; I150-V153 CarbonylContact O-C 3.51Å; I150-V153 PolarHBondContact O-N 3.15Å; I150-E154 VanDerWaalsContact O-CB 3.29Å; I150-E154 WeakPolarHBondContact O-CB 3.28Å; I150-E154 PolarHBondContact O-N 3.33Å
151	K	66.8	Low	56.7	Low	135 Å²	135	90.2 Å²	90.2	59%	0.587	48%	0.48	S	S	*	.	H	α-helix	trans	-61.6	-39.1	174.1	-76.4	176.6	-179.5	178.9	0	111.3	K147 E154 V155	K147-K151 VanDerWaalsContact O-CB 3.23Å; K147-K151 WeakPolarHBondContact O-CB 3.31Å; K147-K151 WeakPolarHBondContact O-CG 3.45Å; K147-K151 PolarHBondContact O-N 3.43Å; K151-E154 PolarHBondContact O-N 3.32Å; K151-V155 VanDerWaalsContact O-CB 3.3Å; K151-V155 WeakPolarHBondContact O-CB 3.38Å; K151-V155 WeakPolarHBondContact O-CG2 3.35Å; K151-V155 PolarHBondContact O-N 3.41Å
152	G	62.3	Low	56.7	Low	25 Å²	25	90.4 Å²	90.4	26%	0.258	48%	0.482	S	S	.	.	H	α-helix	trans	-63.9	-42.5	175.6	0	0	0	0	0	111.8	A148 A149 I150 V156	A148-G152 WeakPolarHBondContact O-CA 3.34Å; A148-G152 PolarHBondContact O-N 3.46Å; A149-G152 CarbonylContact O-C 3.51Å; A149-G152 PolarHBondContact O-N 2.8Å; I150-G152 VanDerWaalsContact C-N 3.28Å; I150-G152 PolarHBondContact O-N 2.9Å; G152-V156 WeakPolarHBondContact O-CB 3.47Å; G152-V156 WeakPolarHBondContact O-CG2 3.44Å; G152-V156 PolarHBondContact O-N 3.42Å
153	V	63.7	Low	57.1	Low	106 Å²	106	90.2 Å²	90.2	64%	0.642	48%	0.481	S	S	*	.	H	α-helix	trans	-71.4	-31.5	174.8	171.1	0	0	0	0	111.7	A149 I150 G157	A149-V153 WeakPolarHBondContact O-CB 3.43Å; A149-V153 WeakPolarHBondContact O-CG2 3Å; A149-V153 PolarHBondContact O-N 3.18Å; I150-V153 CarbonylContact O-C 3.51Å; I150-V153 PolarHBondContact O-N 3.15Å; V153-G157 WeakPolarHBondContact O-CA 3.17Å; V153-G157 PolarHBondContact O-N 3.2Å
154	E	59	Low	56.5	Low	98 Å²	98	97.2 Å²	97.2	46%	0.458	50%	0.5	S	S	.	.	H	α-helix	trans	-76.1	-38.5	175.9	-166.6	-169	158.9	0	0	111.2	I150 K151 G157 K158	I150-E154 VanDerWaalsContact O-CB 3.29Å; I150-E154 WeakPolarHBondContact O-CB 3.28Å; I150-E154 PolarHBondContact O-N 3.33Å; K151-E154 PolarHBondContact O-N 3.32Å; E154-G157 CarbonylContact O-C 3.57Å; E154-G157 PolarHBondContact O-N 2.66Å; E154-K158 WeakPolarHBondContact O-CB 3.41Å; E154-K158 VanDerWaalsContact O-CG 3.25Å; E154-K158 WeakPolarHBondContact O-CG 3.35Å; E154-K158 PolarHBondContact O-N 2.81Å; E154-K158 WeakPolarHBondContact OE1-CE 3.39Å; E154-K158 IonicContact OE1-NZ 3.76Å; E154-K158 PolarHBondContact OE1-NZ 2.96Å
155	V	62.8	Low	56	Low	78 Å²	78	96.9 Å²	96.9	47%	0.473	50%	0.497	S	S	.	.	H	α-helix	trans	-69.4	-49.1	172.5	171	0	0	0	0	109.5	K151 G157 K158 E159	K151-V155 VanDerWaalsContact O-CB 3.3Å; K151-V155 WeakPolarHBondContact O-CB 3.38Å; K151-V155 WeakPolarHBondContact O-CG2 3.35Å; K151-V155 PolarHBondContact O-N 3.41Å; V155-G157 PolarHBondContact O-N 2.75Å; V155-K158 CarbonylContact O-C 3.59Å; V155-K158 PolarHBondContact O-N 3.38Å; V155-K158 VanDerWaalsContact O-N 3.09Å; V155-E159 WeakPolarHBondContact O-CB 3.42Å; V155-E159 PolarHBondContact O-N 2.82Å
156	V	57.3	Low	56.4	Low	66 Å²	66	93.1 Å²	93.1	40%	0.4	48%	0.481	S	S	.	.	H	α-helix	trans	-61.9	-32.8	172.7	169.4	0	0	0	0	110.7	G152 E159 L160	G152-V156 WeakPolarHBondContact O-CB 3.47Å; G152-V156 WeakPolarHBondContact O-CG2 3.44Å; G152-V156 PolarHBondContact O-N 3.42Å; V156-E159 CarbonylContact O-C 3.55Å; V156-L160 HydrophobicContact CG1-CD1 3.34Å; V156-L160 HydrophobicContact CG1-CG 4.01Å; V156-L160 WeakPolarHBondContact O-CA 3.41Å; V156-L160 WeakPolarHBondContact O-CB 3.22Å; V156-L160 WeakPolarHBondContact O-CD1 3.26Å; V156-L160 WeakPolarHBondContact O-CG 3.25Å; V156-L160 PolarHBondContact O-N 2.93Å
157	G	49.9	Very low	57.4	Low	23 Å²	23	97.2 Å²	97.2	24%	0.237	50%	0.501	C	S	.	.	H	α-helix	trans	-61.7	-49.9	170.8	0	0	0	0	0	110.9	V153 E154 V155 L160 E161	V153-G157 WeakPolarHBondContact O-CA 3.17Å; V153-G157 PolarHBondContact O-N 3.2Å; E154-G157 CarbonylContact O-C 3.57Å; E154-G157 PolarHBondContact O-N 2.66Å; V155-G157 PolarHBondContact O-N 2.75Å; G157-L160 CarbonylContact O-C 3.22Å; G157-L160 PolarHBondContact O-N 2.87Å; G157-E161 WeakPolarHBondContact O-CA 3.39Å; G157-E161 WeakPolarHBondContact O-CB 3.22Å; G157-E161 WeakPolarHBondContact O-CG 3.48Å; G157-E161 PolarHBondContact O-N 2.96Å
158	K	52.9	Low	58.4	Low	116 Å²	116	95.1 Å²	95.1	50%	0.504	49%	0.491	S	S	.	.	H	α-helix	trans	-66.9	-34.7	175.9	-74.3	171	-172.5	168.2	0	113.2	E154 V155 E161 S162	E154-K158 WeakPolarHBondContact O-CB 3.41Å; E154-K158 VanDerWaalsContact O-CG 3.25Å; E154-K158 WeakPolarHBondContact O-CG 3.35Å; E154-K158 PolarHBondContact O-N 2.81Å; E154-K158 WeakPolarHBondContact OE1-CE 3.39Å; E154-K158 IonicContact OE1-NZ 3.76Å; E154-K158 PolarHBondContact OE1-NZ 2.96Å; V155-K158 CarbonylContact O-C 3.59Å; V155-K158 PolarHBondContact O-N 3.38Å; V155-K158 VanDerWaalsContact O-N 3.09Å; K158-E161 CarbonylContact O-C 3.57Å; K158-E161 WeakPolarHBondContact O-CB 3.35Å; K158-S162 PolarHBondContact O-N 2.79Å
159	E	48.1	Very low	59	Low	119 Å²	119	99.8 Å²	99.8	56%	0.556	50%	0.502	S	S	*	.	H	α-helix	trans	-80.2	-23.9	175.7	-105.4	75.7	174.8	0	0	112.6	V155 V156 S162	V155-E159 WeakPolarHBondContact O-CB 3.42Å; V155-E159 PolarHBondContact O-N 2.82Å; V156-E159 CarbonylContact O-C 3.55Å; E159-S162 WeakPolarHBondContact O-CB 3.5Å; E159-S162 PolarHBondContact O-N 2.81Å
160	L	47.7	Very low	60	Low	94 Å²	94	98.8 Å²	98.8	49%	0.492	49%	0.494	S	S	.	.	H	α-helix	trans	-84.8	-27.8	167.5	-78.4	161.5	0	0	0	111	V156 G157 S162 F165	V156-L160 HydrophobicContact CG1-CD1 3.34Å; V156-L160 HydrophobicContact CG1-CG 4.01Å; V156-L160 WeakPolarHBondContact O-CA 3.41Å; V156-L160 WeakPolarHBondContact O-CB 3.22Å; V156-L160 WeakPolarHBondContact O-CD1 3.26Å; V156-L160 WeakPolarHBondContact O-CG 3.25Å; V156-L160 PolarHBondContact O-N 2.93Å; G157-L160 CarbonylContact O-C 3.22Å; G157-L160 PolarHBondContact O-N 2.87Å; L160-S162 PolarHBondContact O-N 2.86Å; L160-F165 HydrophobicContact CD2-CB 4.08Å; L160-F165 HydrophobicContact CD2-CG 4.38Å; L160-F165 WeakPolarHBondContact O-CB 3.37Å
161	E	46.8	Very low	61	Low	126 Å²	126	95.6 Å²	95.6	59%	0.589	48%	0.479	S	S	*	.	S	Bend	trans	-70.3	-9	161	-74.9	-171.3	94.3	0	0	110.6	G157 K158 E163	G157-E161 WeakPolarHBondContact O-CA 3.39Å; G157-E161 WeakPolarHBondContact O-CB 3.22Å; G157-E161 WeakPolarHBondContact O-CG 3.48Å; G157-E161 PolarHBondContact O-N 2.96Å; K158-E161 CarbonylContact O-C 3.57Å; K158-E161 WeakPolarHBondContact O-CB 3.35Å; E161-E163 PolarHBondContact O-N 3.28Å
162	S	50.4	Low	61.7	Low	58 Å²	58	96 Å²	96	41%	0.406	49%	0.488	S	S	.	.	S	Bend	trans	-53.7	119.4	161.1	-169.5	0	0	0	0	106.6	K158 E159 L160 R164 F165	K158-S162 PolarHBondContact O-N 2.79Å; E159-S162 WeakPolarHBondContact O-CB 3.5Å; E159-S162 PolarHBondContact O-N 2.81Å; L160-S162 PolarHBondContact O-N 2.86Å; S162-R164 PolarHBondContact O-N 3.44Å; S162-F165 PolarHBondContact O-N 3.09Å
163	E	50.7	Low	62.8	Low	122 Å²	122	101 Å²	101	57%	0.57	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-15.9	-156	-59.4	171.7	147.1	0	0	114.5	E161 R282 R285	E161-E163 PolarHBondContact O-N 3.28Å; E163-R282 IonicContact OE1-NH1 3.96Å; E163-R285 PolarHBondContact O-NH1 2.75Å; E163-R285 PolarHBondContact O-NH2 3.25Å
164	R	51.2	Low	63.9	Low	214 Å²	214	96.7 Å²	96.7	81%	0.808	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-28.8	175.8	-55.2	-169	-154.7	-159.2	5.4	113.9	S162	S162-R164 PolarHBondContact O-N 3.44Å
165	F	50.7	Low	65.3	Low	131 Å²	131	96.9 Å²	96.9	58%	0.575	48%	0.48	S	S	*	.	S	Bend	trans	-103.3	-1.2	-171.7	-60.6	-75	0	0	0	114.8	L160 S162 M167	L160-F165 HydrophobicContact CD2-CB 4.08Å; L160-F165 HydrophobicContact CD2-CG 4.38Å; L160-F165 WeakPolarHBondContact O-CB 3.37Å; S162-F165 PolarHBondContact O-N 3.09Å; F165-M167 PolarHBondContact O-N 2.84Å
166	Q	62.3	Low	66.5	Low	82 Å²	82	94.3 Å²	94.3	38%	0.383	47%	0.465	S	S	.	.			trans	-64.9	104.3	175.2	-160.3	161.5	7.6	0	0	109.4	R285 F286	Q166-R285 PolarHBondContact O-NH2 3.37Å; Q166-F286 HydrophobicContact CB-CE1 4.4Å; Q166-F286 HydrophobicContact CB-CZ 4.26Å; Q166-F286 HydrophobicContact CG-CE1 4.09Å; Q166-F286 HydrophobicContact CG-CZ 4.32Å
167	M	71.4	Confident	67.6	Low	153 Å²	153	92.1 Å²	92.1	75%	0.754	45%	0.449	S	S	*	.			trans	-61.7	146.9	-177.8	-57	179.3	92.7	0	0	109.5	F165 Q169	F165-M167 PolarHBondContact O-N 2.84Å; M167-Q169 PolarHBondContact O-N 3.5Å
168	Y	82.3	Confident	68.9	Low	36 Å²	36	94.9 Å²	94.9	14%	0.141	47%	0.465	C	S	.	.			trans	-54.5	131.7	174.3	175.5	-99	0	0	0	111	A170 P290 E294 I334 D336 V337	Y168-A170 HydrophobicContact CE1-CB 4.21Å; Y168-P290 HydrophobicContact CE2-CB 3.88Å; Y168-P290 HydrophobicContact CE2-CG 3.95Å; Y168-E294 WeakPolarHBondContact OH-CG 3.2Å; Y168-E294 PolarHBondContact OH-OE1 2.77Å; Y168-I334 HydrophobicContact CD1-CG2 4.06Å; Y168-I334 HydrophobicContact CE1-CB 3.8Å; Y168-I334 HydrophobicContact CE1-CG2 3.54Å; Y168-I334 HydrophobicContact CE2-CG2 4.22Å; Y168-D336 VanDerWaalsContact CB-OD1 3.3Å; Y168-D336 WeakPolarHBondContact CB-OD1 3.29Å; Y168-V337 HydrophobicContact CD2-CB 3.91Å; Y168-V337 HydrophobicContact CD2-CG2 3.53Å; Y168-V337 HydrophobicContact CE2-CB 4.49Å; Y168-V337 HydrophobicContact CE2-CG2 3.68Å; Y168-V337 HydrophobicContact CG-CG2 4.22Å
169	Q	79.2	Confident	70.2	Confident	160 Å²	160	94.7 Å²	94.7	75%	0.748	47%	0.466	S	S	*	.			trans	-126.2	119.3	173.2	-172.7	175.8	3.4	0	0	109	M167	M167-Q169 PolarHBondContact O-N 3.5Å
170	A	81.5	Confident	71.6	Confident	35 Å²	35	90.8 Å²	90.8	29%	0.289	45%	0.448	S	S	.	.			trans	-62	128.7	176.2	0	0	0	0	0	110.2	Y168 N172 E294	Y168-A170 HydrophobicContact CE1-CB 4.21Å; A170-N172 PolarHBondContact O-N 3.41Å; A170-E294 WeakPolarHBondContact CB-OE1 3.19Å
171	P	84.1	Confident	72.6	Confident	30 Å²	30	87.6 Å²	87.6	20%	0.195	43%	0.434	C	S	.	.			trans	-62.5	131.5	171.9	23.7	-33.6	0	0	0	110.7	L174 P290 E294 R298	P171-L174 HydrophobicContact CB-CD2 4.47Å; P171-L174 HydrophobicContact CG-CD2 3.74Å; P171-P290 HydrophobicContact CG-CB 4.12Å; P171-E294 HydrophobicContact CG-CG 4.38Å; P171-R298 PolarHBondContact O-NH2 3.23Å
172	N	81.2	Confident	73.1	Confident	144 Å²	144	83.2 Å²	83.2	77%	0.77	42%	0.422	S	S	*	.	S	Bend	trans	-66.2	-46.4	176.6	-69.7	-23.6	0	0	0	111.1	A170 R298	A170-N172 PolarHBondContact O-N 3.41Å; N172-R298 PolarHBondContact O-NH1 3.38Å
173	I	86.9	Confident	72.8	Confident	131 Å²	131	90.9 Å²	90.9	67%	0.672	45%	0.448	S	S	*	.	S	Bend	trans	-113.3	117.7	178	-57.7	169.9	0	0	0	107.3
174	L	86.8	Confident	72.6	Confident	15 Å²	15	90.3 Å²	90.3	8%	0.079	45%	0.449	C	S	.	.			trans	-74.5	135.3	171.8	-60.3	179.8	0	0	0	108.7	P171 E294 A295 D300 I303	P171-L174 HydrophobicContact CB-CD2 4.47Å; P171-L174 HydrophobicContact CG-CD2 3.74Å; L174-E294 HydrophobicContact CD1-CB 4.32Å; L174-E294 HydrophobicContact CD2-CB 3.54Å; L174-E294 HydrophobicContact CD2-CG 4.4Å; L174-A295 HydrophobicContact CD1-CB 4.29Å; L174-D300 HydrophobicContact CD1-CB 4.47Å; L174-I303 HydrophobicContact CB-CD1 3.15Å; L174-I303 HydrophobicContact CB-CG1 4.49Å; L174-I303 HydrophobicContact CB-CG2 4.37Å; L174-I303 HydrophobicContact CD1-CD1 4.11Å; L174-I303 HydrophobicContact CG-CD1 4.25Å; L174-I303 WeakPolarHBondContact O-CD1 3.49Å
175	K	87.4	Confident	72.1	Confident	102 Å²	102	88.2 Å²	88.2	44%	0.443	45%	0.449	S	S	.	.			trans	-112.6	145.5	-175.3	-62.5	180	-177.4	178.4	0	111.2	E179 I180 W307	K175-E179 WeakPolarHBondContact CA-OE2 3.45Å; K175-E179 HydrophobicContact CB-CB 4.25Å; K175-I180 HydrophobicContact CB-CD1 4.03Å; K175-I180 HydrophobicContact CB-CG1 3.74Å; K175-I180 HydrophobicContact CD-CG1 4.01Å; K175-W307 PolarHBondContact O-NE1 3.18Å
176	T	87.1	Confident	71.6	Confident	24 Å²	24	91.2 Å²	91.2	15%	0.147	47%	0.465	C	S	.	.			trans	-74.9	160.9	164.6	63.6	0	0	0	0	110.3	S178 E179 I180 D306	T176-S178 PolarHBondContact O-N 2.91Å; T176-S178 PolarHBondContact OG1-OG 3.42Å; T176-E179 PolarHBondContact N-OE2 2.82Å; T176-E179 WeakPolarHBondContact O-CB 3.29Å; T176-E179 PolarHBondContact O-N 3.07Å; T176-E179 VanDerWaalsContact O-N 3.14Å; T176-E179 VanDerWaalsContact OG1-CG 3.23Å; T176-E179 WeakPolarHBondContact OG1-CG 3.3Å; T176-E179 PolarHBondContact OG1-N 3.29Å; T176-E179 PolarHBondContact OG1-OE1 3.48Å; T176-I180 WeakPolarHBondContact O-CG1 3.12Å; T176-I180 PolarHBondContact O-N 2.75Å; T176-I180 VanDerWaalsContact O-N 3.11Å; T176-D306 WeakPolarHBondContact CA-OD2 3.23Å; T176-D306 VanDerWaalsContact CB-OD2 3.25Å; T176-D306 WeakPolarHBondContact CB-OD2 3.46Å; T176-D306 HydrophobicContact CG2-CB 4.49Å
177	R	82.4	Confident	71	Confident	19 Å²	19	96.5 Å²	96.5	7%	0.072	48%	0.481	C	S	.	.	H	α-helix	trans	-59.3	-38.7	176.2	-65.6	179.7	-63	148.9	-3.4	111.5	E179 I180 S181 D306 W307 A401 W403	R177-E179 VanDerWaalsContact C-N 3.33Å; R177-E179 PolarHBondContact O-N 3.15Å; R177-I180 PolarHBondContact O-N 3.43Å; R177-S181 PolarHBondContact O-N 2.92Å; R177-D306 WeakPolarHBondContact CB-OD2 3.23Å; R177-D306 IonicContact CZ-OD1 3.77Å; R177-D306 PolarHBondContact N-OD2 3.3Å; R177-D306 PolarHBondContact NE-O 3.18Å; R177-D306 IonicContact NE-OD1 3.04Å; R177-D306 PolarHBondContact NE-OD1 3.46Å; R177-D306 IonicContact NE-OD2 3.29Å; R177-D306 PolarHBondContact NH2-O 2.89Å; R177-D306 IonicContact NH2-OD1 3.87Å; R177-D306 PolarHBondContact NH2-OD1 2.97Å; R177-W307 HydrophobicContact CG-CD2 3.62Å; R177-W307 HydrophobicContact CG-CE3 3.61Å; R177-W307 HydrophobicContact CG-CG 4.33Å; R177-W307 HydrophobicContact CG-CH2 3.94Å; R177-W307 HydrophobicContact CG-CZ2 3.95Å; R177-W307 HydrophobicContact CG-CZ3 3.75Å; R177-A401 HydrophobicContact CB-CB 4.17Å; R177-A401 PolarHBondContact NH1-O 3.04Å; R177-W403 WeakPolarHBondContact CD-O 3.14Å
178	S	76.8	Confident	69.8	Low	82 Å²	82	93.8 Å²	93.8	57%	0.573	48%	0.483	S	S	*	.	H	α-helix	trans	-63	-36.8	175.6	70.6	0	0	0	0	113	T176	T176-S178 PolarHBondContact O-N 2.91Å; T176-S178 PolarHBondContact OG1-OG 3.42Å
179	E	80.4	Confident	68.6	Low	111 Å²	111	99.4 Å²	99.4	52%	0.519	51%	0.514	S	S	.	.	H	α-helix	trans	-72.9	-31.3	176.8	-73.2	160.2	-149.9	0	0	112.7	K175 T176 R177 G182	K175-E179 WeakPolarHBondContact CA-OE2 3.45Å; K175-E179 HydrophobicContact CB-CB 4.25Å; T176-E179 PolarHBondContact N-OE2 2.82Å; T176-E179 WeakPolarHBondContact O-CB 3.29Å; T176-E179 PolarHBondContact O-N 3.07Å; T176-E179 VanDerWaalsContact O-N 3.14Å; T176-E179 VanDerWaalsContact OG1-CG 3.23Å; T176-E179 WeakPolarHBondContact OG1-CG 3.3Å; T176-E179 PolarHBondContact OG1-N 3.29Å; T176-E179 PolarHBondContact OG1-OE1 3.48Å; R177-E179 VanDerWaalsContact C-N 3.33Å; R177-E179 PolarHBondContact O-N 3.15Å; E179-G182 PolarHBondContact O-N 3.4Å
180	I	77.3	Confident	67.1	Low	37 Å²	37	100 Å²	100	19%	0.19	52%	0.517	C	S	.	.	H	α-helix	trans	-73.7	-40.5	177.5	-68.6	160.2	0	0	0	111.3	K175 T176 R177 G182 V287 W307	K175-I180 HydrophobicContact CB-CD1 4.03Å; K175-I180 HydrophobicContact CB-CG1 3.74Å; K175-I180 HydrophobicContact CD-CG1 4.01Å; T176-I180 WeakPolarHBondContact O-CG1 3.12Å; T176-I180 PolarHBondContact O-N 2.75Å; T176-I180 VanDerWaalsContact O-N 3.11Å; R177-I180 PolarHBondContact O-N 3.43Å; I180-G182 PolarHBondContact O-N 2.87Å; I180-G182 VanDerWaalsContact O-N 3.15Å; I180-V287 HydrophobicContact CD1-CG1 3.67Å; I180-V287 HydrophobicContact CG1-CG1 4.42Å; I180-V287 HydrophobicContact CG2-CG1 4.43Å; I180-W307 HydrophobicContact CD1-CH2 3.78Å; I180-W307 HydrophobicContact CD1-CZ2 3.27Å
181	S	68.1	Low	65.8	Low	27 Å²	27	104 Å²	104	19%	0.189	54%	0.539	C	S	.	.	H	α-helix	trans	-55.4	-27.8	174.2	161	0	0	0	0	112.4	R177 N398	R177-S181 PolarHBondContact O-N 2.92Å; S181-N398 WeakPolarHBondContact CA-ND2 3.34Å; S181-N398 WeakPolarHBondContact CB-ND2 3.15Å; S181-N398 PolarHBondContact OG-ND2 3.41Å
182	G	57.7	Low	64.5	Low	34 Å²	34	107.8 Å²	107.8	35%	0.351	56%	0.558	S	S	.	*			trans	69.9	154.9	-158.7	0	0	0	0	0	110.1	E179 I180 N184	E179-G182 PolarHBondContact O-N 3.4Å; I180-G182 PolarHBondContact O-N 2.87Å; I180-G182 VanDerWaalsContact O-N 3.15Å; G182-N184 VanDerWaalsContact C-N 3.26Å; G182-N184 PolarHBondContact O-N 2.74Å
183	K	44.5	Very low	63.5	Low	219 Å²	219	106.6 Å²	106.6	95%	0.952	56%	0.561	S	S	*	*			trans	-63.9	87	174.9	-69.8	-176.8	177.3	-175.9	0	109.2
184	N	44.8	Very low	62.3	Low	110 Å²	110	108.6 Å²	108.6	59%	0.588	57%	0.568	S	S	*	*			trans	-72.3	141.6	165.1	-87	-21.9	0	0	0	108.5	G182 E186 N398	G182-N184 VanDerWaalsContact C-N 3.26Å; G182-N184 PolarHBondContact O-N 2.74Å; N184-E186 PolarHBondContact O-N 3.24Å; N184-E186 VanDerWaalsContact O-N 3.09Å; N184-N398 PolarHBondContact ND2-ND2 3.36Å
185	E	40.8	Very low	60.7	Low	171 Å²	171	112 Å²	112	80%	0.799	59%	0.592	S	S	*	*			trans	-47.8	115.7	177.4	-62	176	162.5	0	0	109.5	R187	E185-R187 PolarHBondContact O-N 3.42Å
186	E	41.3	Very low	59	Low	194 Å²	194	113 Å²	113	91%	0.907	61%	0.612	S	S	*	*			trans	-57.4	89.4	168.8	-72.6	174.1	172.3	0	0	107.7	N184 A188	N184-E186 PolarHBondContact O-N 3.24Å; N184-E186 VanDerWaalsContact O-N 3.09Å; E186-A188 PolarHBondContact O-N 2.76Å; E186-A188 VanDerWaalsContact O-N 3.14Å
187	R	49.6	Very low	57.4	Low	193 Å²	193	114.4 Å²	114.4	73%	0.728	63%	0.631	S	S	*	*			trans	-65.7	117.1	162.7	-73.1	-174.5	-180	179.5	1.3	105.5	E185 I189	E185-R187 PolarHBondContact O-N 3.42Å; R187-I189 VanDerWaalsContact C-N 3.35Å; R187-I189 PolarHBondContact O-N 3.26Å
188	A	46.5	Very low	56.3	Low	95 Å²	95	120.4 Å²	120.4	79%	0.785	67%	0.67	S	S	*	*			trans	-59.2	98	176.2	0	0	0	0	0	108.9	E186 Q190	E186-A188 PolarHBondContact O-N 2.76Å; E186-A188 VanDerWaalsContact O-N 3.14Å; A188-Q190 PolarHBondContact O-N 3.17Å; A188-Q190 VanDerWaalsContact O-N 3.11Å
189	I	55.5	Low	55.2	Low	155 Å²	155	121.2 Å²	121.2	80%	0.795	67%	0.671	S	S	*	*			trans	-67.7	109.5	168.3	-57.3	171.1	0	0	0	104.8	R187	R187-I189 VanDerWaalsContact C-N 3.35Å; R187-I189 PolarHBondContact O-N 3.26Å
190	Q	49.1	Very low	54.1	Low	173 Å²	173	120.4 Å²	120.4	81%	0.808	67%	0.674	S	S	*	*			trans	-64.4	127.3	173.4	-68	-168.9	17	0	0	107.9	A188 D192	A188-Q190 PolarHBondContact O-N 3.17Å; A188-Q190 VanDerWaalsContact O-N 3.11Å; Q190-D192 PolarHBondContact O-N 2.94Å
191	P	52.8	Low	52.8	Low	118 Å²	118	125.2 Å²	125.2	77%	0.766	70%	0.695	S	S	*	*			trans	-61.6	123.1	173.7	23.4	-29.9	0	0	0	108.5	S193	P191-S193 PolarHBondContact O-N 2.82Å
192	D	58.3	Low	52.6	Low	110 Å²	110	130.2 Å²	130.2	59%	0.588	71%	0.713	S	S	*	*			trans	-62.4	115	172.7	179.9	17.6	0	0	0	108.8	Q190 E194 S195	Q190-D192 PolarHBondContact O-N 2.94Å; D192-E194 VanDerWaalsContact C-N 3.3Å; D192-E194 PolarHBondContact O-N 2.74Å; D192-E194 PolarHBondContact OD1-N 3.3Å; D192-S195 PolarHBondContact OD2-OG 3.49Å
193	S	58.9	Low	52.7	Low	118 Å²	118	130.3 Å²	130.3	83%	0.825	71%	0.706	S	S	*	*	S	Bend	trans	-80.1	-8.4	-174.7	52.5	0	0	0	0	113.7	P191	P191-S193 PolarHBondContact O-N 2.82Å
194	E	61.4	Low	53.8	Low	174 Å²	174	122.4 Å²	122.4	81%	0.813	68%	0.678	S	S	*	*	S	Bend	trans	-90.2	-22.3	-172.3	-67.7	-172	170.2	0	0	114	D192	D192-E194 VanDerWaalsContact C-N 3.3Å; D192-E194 PolarHBondContact O-N 2.74Å; D192-E194 PolarHBondContact OD1-N 3.3Å
195	S	53.6	Low	55.1	Low	86 Å²	86	122.9 Å²	122.9	60%	0.601	68%	0.675	S	S	*	*			trans	-103.7	81	-174.8	57.2	0	0	0	0	113.5	D192 G197	D192-S195 PolarHBondContact OD2-OG 3.49Å; S195-G197 PolarHBondContact O-N 3.47Å; S195-G197 VanDerWaalsContact O-N 3.09Å
196	S	53.2	Low	56.1	Low	122 Å²	122	115.8 Å²	115.8	85%	0.853	64%	0.641	S	S	*	*			trans	-79	27.8	172.7	56.9	0	0	0	0	114.5	V198	S196-V198 PolarHBondContact O-N 2.83Å
197	G	51.8	Low	57.3	Low	54 Å²	54	109.2 Å²	109.2	56%	0.557	61%	0.609	S	S	*	*			trans	-72.1	129	179.9	0	0	0	0	0	111.8	S195 V199	S195-G197 PolarHBondContact O-N 3.47Å; S195-G197 VanDerWaalsContact O-N 3.09Å; G197-V199 VanDerWaalsContact C-N 3.32Å; G197-V199 PolarHBondContact O-N 2.85Å
198	V	59.4	Low	58.3	Low	146 Å²	146	103.4 Å²	103.4	89%	0.885	60%	0.595	S	S	*	*			trans	-64	94.2	167.9	178.2	0	0	0	0	108.1	S196 V200	S196-V198 PolarHBondContact O-N 2.83Å; V198-V200 PolarHBondContact O-N 3.14Å
199	V	54.3	Low	59.6	Low	98 Å²	98	99.9 Å²	99.9	59%	0.594	57%	0.567	S	S	*	*			trans	-80.3	108.4	175.8	176.5	0	0	0	0	107.7	G197 H201 K202	G197-V199 VanDerWaalsContact C-N 3.32Å; G197-V199 PolarHBondContact O-N 2.85Å; V199-H201 PolarHBondContact O-N 2.97Å; V199-K202 HydrophobicContact CG1-CG 4.49Å
200	V	57.7	Low	60.5	Low	94 Å²	94	92.9 Å²	92.9	57%	0.57	53%	0.53	S	S	*	.			trans	-50.5	126.9	159.2	178.3	0	0	0	0	106.9	V198 K202	V198-V200 PolarHBondContact O-N 3.14Å; V200-K202 PolarHBondContact O-N 3.22Å
201	H	50.5	Low	61.6	Low	138 Å²	138	86.4 Å²	86.4	64%	0.639	50%	0.5	S	S	*	.			trans	-38.4	129.4	-172.4	-70.4	-78.5	0	0	0	111.7	V199 D203 S204	V199-H201 PolarHBondContact O-N 2.97Å; H201-D203 PolarHBondContact O-N 2.83Å; H201-S204 PolarHBondContact O-N 3.35Å
202	K	62.5	Low	62.6	Low	133 Å²	133	84.7 Å²	84.7	58%	0.578	48%	0.484	S	S	*	.	H	α-helix	trans	-47.8	-38.5	-174.7	-64.6	-179.8	-179.3	179.7	0	112	V199 V200 S204 K205 W206	V199-K202 HydrophobicContact CG1-CG 4.49Å; V200-K202 PolarHBondContact O-N 3.22Å; K202-S204 PolarHBondContact O-N 3.25Å; K202-K205 PolarHBondContact O-N 3.12Å; K202-W206 PolarHBondContact O-N 3.12Å
203	D	61	Low	63.2	Low	35 Å²	35	80.6 Å²	80.6	19%	0.187	46%	0.461	C	S	.	.	H	α-helix	trans	-64.1	-31.6	-178.1	-68.4	29.3	0	0	0	114.3	H201 W206 F207 H309 E310	H201-D203 PolarHBondContact O-N 2.83Å; D203-W206 WeakPolarHBondContact O-CB 3.09Å; D203-W206 PolarHBondContact O-N 3.12Å; D203-F207 PolarHBondContact O-N 3.43Å; D203-H309 VanDerWaalsContact CG-ND1 3.25Å; D203-H309 IonicContact OD1-CE1 2.79Å; D203-H309 IonicContact OD1-ND1 3.54Å; D203-H309 IonicContact OD2-CE1 3.64Å; D203-H309 IonicContact OD2-CG 3.25Å; D203-H309 IonicContact OD2-ND1 3Å; D203-H309 PolarHBondContact OD2-ND1 3.33Å; D203-E310 HydrophobicContact CB-CB 4.45Å
204	S	67.9	Low	63.8	Low	54 Å²	54	77.8 Å²	77.8	38%	0.378	43%	0.434	S	S	.	.	H	α-helix	trans	-67.8	-39.2	178.3	177.3	0	0	0	0	111.3	H201 K202 W206 F207 T208	H201-S204 PolarHBondContact O-N 3.35Å; K202-S204 PolarHBondContact O-N 3.25Å; S204-W206 VanDerWaalsContact C-N 3.32Å; S204-W206 PolarHBondContact O-N 3.04Å; S204-F207 PolarHBondContact O-N 3.02Å; S204-T208 PolarHBondContact O-N 3.04Å; S204-T208 VanDerWaalsContact O-N 3.12Å; S204-T208 PolarHBondContact O-OG1 2.91Å
205	K	71.6	Confident	64	Low	119 Å²	119	75.3 Å²	75.3	52%	0.517	42%	0.423	S	S	.	.	H	α-helix	trans	-64	-38.5	175.3	-64.6	-174.5	179.1	-175.9	0	111.9	K202 A209	K202-K205 PolarHBondContact O-N 3.12Å; K205-A209 WeakPolarHBondContact O-CB 3.21Å; K205-A209 PolarHBondContact O-N 2.77Å; K205-A209 VanDerWaalsContact O-N 3.12Å
206	W	61.5	Low	64.5	Low	22 Å²	22	77.6 Å²	77.6	8%	0.083	43%	0.428	C	S	.	.	H	α-helix	trans	-60.5	-47	178.6	-80.3	45.2	0	0	0	111.6	K202 D203 S204 W210 H309 Q350 C391 L406	K202-W206 PolarHBondContact O-N 3.12Å; D203-W206 WeakPolarHBondContact O-CB 3.09Å; D203-W206 PolarHBondContact O-N 3.12Å; S204-W206 VanDerWaalsContact C-N 3.32Å; S204-W206 PolarHBondContact O-N 3.04Å; W206-W210 WeakPolarHBondContact O-CB 3.44Å; W206-W210 PolarHBondContact O-N 2.94Å; W206-H309 AromaticContact CE3-CD2 3.94Å; W206-H309 AromaticContact CE3-CE1 3.46Å; W206-H309 VanDerWaalsContact CE3-CE1 3.46Å; W206-H309 AromaticContact CE3-NE2 3.15Å; W206-H309 AromaticContact CZ3-CE1 3.58Å; W206-H309 AromaticContact CZ3-NE2 3.06Å; W206-H309 WeakPolarHBondContact CZ3-NE2 3.32Å; W206-Q350 HydrophobicContact CD2-CB 4.43Å; W206-Q350 HydrophobicContact CG-CB 4.31Å; W206-Q350 HydrophobicContact CZ2-CB 4.21Å; W206-C391 HydrophobicContact CE3-CB 3.87Å; W206-C391 HydrophobicContact CH2-CB 3.98Å; W206-C391 WeakPolarHBondContact CH2-SG 3.33Å; W206-C391 HydrophobicContact CZ3-CB 3.26Å; W206-C391 WeakPolarHBondContact CZ3-SG 3.43Å; W206-L406 HydrophobicContact CB-CD1 4.08Å; W206-L406 HydrophobicContact CE3-CD1 4.24Å
207	F	66.1	Low	64.7	Low	56 Å²	56	73.7 Å²	73.7	25%	0.246	40%	0.398	C	S	.	.	H	α-helix	trans	-69.5	-43.8	-178.8	-177.4	-100.3	0	0	0	112.5	D203 S204 A209 W210 Q211 V311	D203-F207 PolarHBondContact O-N 3.43Å; S204-F207 PolarHBondContact O-N 3.02Å; F207-A209 VanDerWaalsContact C-N 3.34Å; F207-A209 PolarHBondContact O-N 2.9Å; F207-W210 CarbonylContact O-C 3.56Å; F207-W210 WeakPolarHBondContact O-CB 3.2Å; F207-W210 PolarHBondContact O-N 2.84Å; F207-W210 VanDerWaalsContact O-N 3.12Å; F207-Q211 HydrophobicContact CD1-CG 3.8Å; F207-Q211 HydrophobicContact CD2-CG 4.31Å; F207-Q211 HydrophobicContact CE1-CG 3.3Å; F207-Q211 HydrophobicContact CE2-CG 3.89Å; F207-Q211 HydrophobicContact CG-CG 4.29Å; F207-Q211 VanDerWaalsContact CZ-CD 3.5Å; F207-Q211 HydrophobicContact CZ-CG 3.36Å; F207-Q211 WeakPolarHBondContact O-CG 3.38Å; F207-Q211 PolarHBondContact O-N 3.36Å; F207-V311 HydrophobicContact CB-CB 4.42Å; F207-V311 HydrophobicContact CB-CG2 3.8Å; F207-V311 HydrophobicContact CD1-CG1 4.18Å; F207-V311 HydrophobicContact CD1-CG2 4.14Å; F207-V311 HydrophobicContact CD2-CB 3.71Å; F207-V311 HydrophobicContact CD2-CG1 3.54Å; F207-V311 HydrophobicContact CD2-CG2 3.97Å; F207-V311 HydrophobicContact CE1-CG1 4Å; F207-V311 HydrophobicContact CE2-CB 4.02Å; F207-V311 HydrophobicContact CE2-CG1 3.32Å; F207-V311 HydrophobicContact CG-CB 4Å; F207-V311 HydrophobicContact CG-CG1 3.95Å; F207-V311 HydrophobicContact CG-CG2 3.71Å; F207-V311 HydrophobicContact CZ-CG1 3.56Å
208	T	71.3	Confident	64.7	Low	71 Å²	71	76.5 Å²	76.5	44%	0.436	40%	0.396	S	S	.	.	H	α-helix	trans	-59.4	-46.5	178.1	-56.5	0	0	0	0	111	S204 W210 Q211 D212	S204-T208 PolarHBondContact O-N 3.04Å; S204-T208 VanDerWaalsContact O-N 3.12Å; S204-T208 PolarHBondContact O-OG1 2.91Å; T208-W210 VanDerWaalsContact C-N 3.28Å; T208-W210 PolarHBondContact O-N 3Å; T208-Q211 PolarHBondContact O-N 2.94Å; T208-D212 WeakPolarHBondContact O-CB 3.29Å; T208-D212 PolarHBondContact O-N 2.89Å
209	A	73.8	Confident	64.3	Low	22 Å²	22	76.9 Å²	76.9	18%	0.182	38%	0.383	C	S	.	.	H	α-helix	trans	-63.3	-35.7	177	0	0	0	0	0	112.1	K205 F207 F213 M348	K205-A209 WeakPolarHBondContact O-CB 3.21Å; K205-A209 PolarHBondContact O-N 2.77Å; K205-A209 VanDerWaalsContact O-N 3.12Å; F207-A209 VanDerWaalsContact C-N 3.34Å; F207-A209 PolarHBondContact O-N 2.9Å; A209-F213 WeakPolarHBondContact O-CB 3.22Å; A209-F213 PolarHBondContact O-N 3Å; A209-M348 HydrophobicContact CB-CE 3.28Å; A209-M348 WeakPolarHBondContact O-CE 3.31Å
210	W	74.4	Confident	64.3	Low	8 Å²	8	72.8 Å²	72.8	3%	0.03	36%	0.358	C	S	.	.	H	α-helix	trans	-68.8	-42	174.9	177.9	-106	0	0	0	113.1	W206 F207 T208 F213 K214 V353 I355 A389 L406 D407	W206-W210 WeakPolarHBondContact O-CB 3.44Å; W206-W210 PolarHBondContact O-N 2.94Å; F207-W210 CarbonylContact O-C 3.56Å; F207-W210 WeakPolarHBondContact O-CB 3.2Å; F207-W210 PolarHBondContact O-N 2.84Å; F207-W210 VanDerWaalsContact O-N 3.12Å; T208-W210 VanDerWaalsContact C-N 3.28Å; T208-W210 PolarHBondContact O-N 3Å; W210-F213 HydrophobicContact CE3-CD1 4.07Å; W210-F213 HydrophobicContact CH2-CD1 4.39Å; W210-F213 HydrophobicContact CH2-CE1 4.42Å; W210-F213 AromaticContact CZ3-CD1 3.86Å; W210-F213 HydrophobicContact CZ3-CD1 3.86Å; W210-F213 HydrophobicContact CZ3-CE1 4.13Å; W210-F213 WeakPolarHBondContact O-CB 3.34Å; W210-F213 PolarHBondContact O-N 3.4Å; W210-K214 WeakPolarHBondContact O-CB 3.22Å; W210-K214 PolarHBondContact O-N 3.19Å; W210-V353 HydrophobicContact CE3-CG1 4.39Å; W210-V353 HydrophobicContact CH2-CG1 4.43Å; W210-V353 HydrophobicContact CZ3-CG1 3.85Å; W210-I355 HydrophobicContact CH2-CD1 3.66Å; W210-I355 HydrophobicContact CH2-CG1 3.96Å; W210-I355 HydrophobicContact CZ3-CD1 4.39Å; W210-A389 HydrophobicContact CH2-CB 3.7Å; W210-A389 HydrophobicContact CZ2-CB 3.6Å; W210-A389 HydrophobicContact CZ3-CB 4.34Å; W210-L406 HydrophobicContact CB-CD2 3.9Å; W210-L406 HydrophobicContact CB-CG 4.42Å; W210-L406 HydrophobicContact CD2-CD2 3.92Å; W210-L406 HydrophobicContact CE3-CD2 4.03Å; W210-L406 HydrophobicContact CG-CD2 3.85Å; W210-L406 HydrophobicContact CG-CG 4.23Å; W210-D407 HydrophobicContact CZ2-CB 4.46Å; W210-D407 PolarHBondContact NE1-OD2 2.82Å
211	Q	71.7	Confident	64.2	Low	37 Å²	37	72.6 Å²	72.6	17%	0.173	35%	0.351	C	S	.	.	H	α-helix	trans	-65.6	-46	174.6	-70.6	-53.4	-35.3	0	0	110.8	F207 T208 F213 K214 E215	F207-Q211 HydrophobicContact CD1-CG 3.8Å; F207-Q211 HydrophobicContact CD2-CG 4.31Å; F207-Q211 HydrophobicContact CE1-CG 3.3Å; F207-Q211 HydrophobicContact CE2-CG 3.89Å; F207-Q211 HydrophobicContact CG-CG 4.29Å; F207-Q211 VanDerWaalsContact CZ-CD 3.5Å; F207-Q211 HydrophobicContact CZ-CG 3.36Å; F207-Q211 WeakPolarHBondContact O-CG 3.38Å; F207-Q211 PolarHBondContact O-N 3.36Å; T208-Q211 PolarHBondContact O-N 2.94Å; Q211-F213 PolarHBondContact O-N 2.88Å; Q211-F213 VanDerWaalsContact O-N 3.15Å; Q211-K214 PolarHBondContact O-N 2.78Å; Q211-E215 VanDerWaalsContact O-CB 3.28Å; Q211-E215 WeakPolarHBondContact O-CB 3.23Å; Q211-E215 WeakPolarHBondContact O-CG 3.24Å; Q211-E215 PolarHBondContact O-N 2.78Å
212	D	74.4	Confident	64.3	Low	81 Å²	81	72.8 Å²	72.8	43%	0.433	35%	0.346	S	S	.	.	H	α-helix	trans	-54.9	-38	174.3	-70.4	-20.5	0	0	0	110.6	T208 N216	T208-D212 WeakPolarHBondContact O-CB 3.29Å; T208-D212 PolarHBondContact O-N 2.89Å; D212-N216 WeakPolarHBondContact O-CB 3.19Å; D212-N216 PolarHBondContact O-N 2.95Å; D212-N216 PolarHBondContact O-ND2 2.77Å
213	F	70.4	Confident	64	Low	24 Å²	24	71.8 Å²	71.8	11%	0.105	34%	0.342	C	S	.	.	H	α-helix	trans	-69.2	-49.6	173.4	174.3	-116.7	0	0	0	113.8	A209 W210 Q211 E215 N216 N217 V220 M344 K346	A209-F213 WeakPolarHBondContact O-CB 3.22Å; A209-F213 PolarHBondContact O-N 3Å; W210-F213 HydrophobicContact CE3-CD1 4.07Å; W210-F213 HydrophobicContact CH2-CD1 4.39Å; W210-F213 HydrophobicContact CH2-CE1 4.42Å; W210-F213 AromaticContact CZ3-CD1 3.86Å; W210-F213 HydrophobicContact CZ3-CD1 3.86Å; W210-F213 HydrophobicContact CZ3-CE1 4.13Å; W210-F213 WeakPolarHBondContact O-CB 3.34Å; W210-F213 PolarHBondContact O-N 3.4Å; Q211-F213 PolarHBondContact O-N 2.88Å; Q211-F213 VanDerWaalsContact O-N 3.15Å; F213-E215 PolarHBondContact O-N 2.82Å; F213-N216 PolarHBondContact O-N 2.85Å; F213-N217 HydrophobicContact CD2-CB 4.17Å; F213-N217 HydrophobicContact CE2-CB 3.84Å; F213-N217 VanDerWaalsContact CE2-ND2 3.32Å; F213-N217 WeakPolarHBondContact CE2-ND2 3.48Å; F213-N217 HydrophobicContact CZ-CB 4.27Å; F213-N217 WeakPolarHBondContact CZ-ND2 3.44Å; F213-N217 WeakPolarHBondContact O-CB 3.4Å; F213-N217 PolarHBondContact O-N 3.06Å; F213-V220 HydrophobicContact CE1-CG2 4.12Å; F213-V220 HydrophobicContact CZ-CG2 3.91Å; F213-M344 HydrophobicContact CE1-CE 3.89Å; F213-M344 HydrophobicContact CZ-CE 3.7Å; F213-K346 HydrophobicContact CB-CD 4.34Å; F213-K346 HydrophobicContact CD1-CD 3.64Å; F213-K346 HydrophobicContact CD2-CD 3.39Å; F213-K346 HydrophobicContact CE1-CD 3.67Å; F213-K346 HydrophobicContact CE2-CD 3.4Å; F213-K346 HydrophobicContact CG-CD 3.48Å; F213-K346 VanDerWaalsContact CG-CD 3.48Å; F213-K346 HydrophobicContact CZ-CD 3.54Å
214	K	71.3	Confident	63.8	Low	59 Å²	59	72.6 Å²	72.6	26%	0.257	34%	0.344	S	S	.	.	H	α-helix	trans	-60.4	-36.8	-178.8	-173.6	179.7	-175.2	172.2	0	111	W210 Q211 Q221 D407	W210-K214 WeakPolarHBondContact O-CB 3.22Å; W210-K214 PolarHBondContact O-N 3.19Å; Q211-K214 PolarHBondContact O-N 2.78Å; K214-Q221 PolarHBondContact O-NE2 2.85Å; K214-D407 IonicContact NZ-OD2 3.3Å; K214-D407 PolarHBondContact NZ-OD2 3.13Å
215	E	65.9	Low	63.1	Low	122 Å²	122	74.2 Å²	74.2	57%	0.57	35%	0.349	S	S	*	.	H	α-helix	trans	-80	-43.1	177.9	-67.4	-177	-178.9	0	0	112.4	Q211 F213	Q211-E215 VanDerWaalsContact O-CB 3.28Å; Q211-E215 WeakPolarHBondContact O-CB 3.23Å; Q211-E215 WeakPolarHBondContact O-CG 3.24Å; Q211-E215 PolarHBondContact O-N 2.78Å; F213-E215 PolarHBondContact O-N 2.82Å
216	N	63.2	Low	62.1	Low	135 Å²	135	74.2 Å²	74.2	72%	0.722	35%	0.354	S	S	*	.	H	α-helix	trans	-73.5	-26.6	179.4	-72	-40	0	0	0	113.1	D212 F213 Q218	D212-N216 WeakPolarHBondContact O-CB 3.19Å; D212-N216 PolarHBondContact O-N 2.95Å; D212-N216 PolarHBondContact O-ND2 2.77Å; F213-N216 PolarHBondContact O-N 2.85Å; N216-Q218 PolarHBondContact O-N 3.05Å; N216-Q218 VanDerWaalsContact O-N 3.11Å
217	N	57.2	Low	61.7	Low	40 Å²	40	76.3 Å²	76.3	21%	0.214	36%	0.363	C	S	.	.			trans	-85.7	87.8	179.7	-160.7	-11.4	0	0	0	110.9	F213 Y219 V220 Q221	F213-N217 HydrophobicContact CD2-CB 4.17Å; F213-N217 HydrophobicContact CE2-CB 3.84Å; F213-N217 VanDerWaalsContact CE2-ND2 3.32Å; F213-N217 WeakPolarHBondContact CE2-ND2 3.48Å; F213-N217 HydrophobicContact CZ-CB 4.27Å; F213-N217 WeakPolarHBondContact CZ-ND2 3.44Å; F213-N217 WeakPolarHBondContact O-CB 3.4Å; F213-N217 PolarHBondContact O-N 3.06Å; N217-Y219 PolarHBondContact O-N 2.87Å; N217-Y219 VanDerWaalsContact OD1-CB 3.31Å; N217-Y219 WeakPolarHBondContact OD1-CB 3.36Å; N217-Y219 PolarHBondContact OD1-N 3.35Å; N217-Y219 VanDerWaalsContact OD1-N 3.14Å; N217-V220 HydrophobicContact CB-CB 3.96Å; N217-V220 HydrophobicContact CB-CG2 3.78Å; N217-V220 WeakPolarHBondContact ND2-CG2 3.47Å; N217-V220 PolarHBondContact O-N 2.85Å; N217-Q221 PolarHBondContact O-N 3.15Å
218	Q	52.4	Low	61.1	Low	112 Å²	112	75.1 Å²	75.1	52%	0.523	36%	0.364	S	S	.	.	H	α-helix	trans	-49.1	-27	171.2	-170.6	178.2	43.7	0	0	112.7	N216 R222	N216-Q218 PolarHBondContact O-N 3.05Å; N216-Q218 VanDerWaalsContact O-N 3.11Å; Q218-R222 VanDerWaalsContact NE2-NH2 3.16Å; Q218-R222 VanDerWaalsContact O-CB 3.3Å; Q218-R222 WeakPolarHBondContact O-CB 3.44Å; Q218-R222 WeakPolarHBondContact O-CD 3.42Å; Q218-R222 WeakPolarHBondContact O-CG 3.44Å; Q218-R222 PolarHBondContact O-N 3.48Å
219	Y	51.8	Low	59.9	Low	155 Å²	155	77.4 Å²	77.4	61%	0.608	37%	0.369	S	S	*	.	H	α-helix	trans	-77.9	-32.3	176	-67.7	-86.3	0	0	0	113.6	N217 R222 F223	N217-Y219 PolarHBondContact O-N 2.87Å; N217-Y219 VanDerWaalsContact OD1-CB 3.31Å; N217-Y219 WeakPolarHBondContact OD1-CB 3.36Å; N217-Y219 PolarHBondContact OD1-N 3.35Å; N217-Y219 VanDerWaalsContact OD1-N 3.14Å; Y219-R222 CarbonylContact O-C 3.54Å; Y219-R222 PolarHBondContact O-N 3.31Å; Y219-F223 VanDerWaalsContact O-CB 3.26Å; Y219-F223 WeakPolarHBondContact O-CB 3.39Å; Y219-F223 PolarHBondContact O-N 2.82Å
220	V	53.9	Low	58.6	Low	12 Å²	12	79.4 Å²	79.4	7%	0.073	37%	0.372	C	S	.	.	H	α-helix	trans	-71	-45.1	-179.5	168	0	0	0	0	109.8	F213 N217 F223 F224 M344	F213-V220 HydrophobicContact CE1-CG2 4.12Å; F213-V220 HydrophobicContact CZ-CG2 3.91Å; N217-V220 HydrophobicContact CB-CB 3.96Å; N217-V220 HydrophobicContact CB-CG2 3.78Å; N217-V220 WeakPolarHBondContact ND2-CG2 3.47Å; N217-V220 PolarHBondContact O-N 2.85Å; V220-F223 PolarHBondContact O-N 2.88Å; V220-F224 HydrophobicContact CB-CE2 4.42Å; V220-F224 HydrophobicContact CG1-CD2 3.52Å; V220-F224 HydrophobicContact CG1-CE2 3.08Å; V220-F224 HydrophobicContact CG1-CZ 3.96Å; V220-F224 WeakPolarHBondContact O-CB 3.48Å; V220-F224 WeakPolarHBondContact O-CD2 3.29Å; V220-F224 VanDerWaalsContact O-CG 3.25Å; V220-F224 WeakPolarHBondContact O-CG 3.47Å; V220-F224 PolarHBondContact O-N 2.95Å; V220-M344 HydrophobicContact CG2-CE 3.95Å
221	Q	56.3	Low	57.4	Low	90 Å²	90	81 Å²	81	42%	0.421	38%	0.38	S	S	.	.	H	α-helix	trans	-59.4	-48.6	170.3	-66.2	-176.3	2.3	0	0	110.9	K214 N217 F223 F224 D225	K214-Q221 PolarHBondContact O-NE2 2.85Å; N217-Q221 PolarHBondContact O-N 3.15Å; Q221-F223 PolarHBondContact O-N 3.34Å; Q221-F224 PolarHBondContact O-N 3.29Å; Q221-D225 VanDerWaalsContact O-CB 3.27Å; Q221-D225 WeakPolarHBondContact O-CB 3.39Å; Q221-D225 PolarHBondContact O-N 3Å
222	R	51	Low	56.6	Low	142 Å²	142	86.2 Å²	86.2	54%	0.536	41%	0.405	S	S	.	.	H	α-helix	trans	-64.5	-33.9	177.6	-74.1	177.8	-179.9	-178.2	2.2	114	Q218 Y219 L226	Q218-R222 VanDerWaalsContact NE2-NH2 3.16Å; Q218-R222 VanDerWaalsContact O-CB 3.3Å; Q218-R222 WeakPolarHBondContact O-CB 3.44Å; Q218-R222 WeakPolarHBondContact O-CD 3.42Å; Q218-R222 WeakPolarHBondContact O-CG 3.44Å; Q218-R222 PolarHBondContact O-N 3.48Å; Y219-R222 CarbonylContact O-C 3.54Å; Y219-R222 PolarHBondContact O-N 3.31Å; R222-L226 WeakPolarHBondContact O-CA 3.41Å; R222-L226 WeakPolarHBondContact O-CB 3.28Å; R222-L226 PolarHBondContact O-N 3.25Å
223	F	56.2	Low	54.9	Low	112 Å²	112	84 Å²	84	49%	0.491	40%	0.396	S	S	.	.	H	α-helix	trans	-71.1	-40.7	175.7	-113.6	-87.7	0	0	0	110.6	Y219 V220 Q221 K227	Y219-F223 VanDerWaalsContact O-CB 3.26Å; Y219-F223 WeakPolarHBondContact O-CB 3.39Å; Y219-F223 PolarHBondContact O-N 2.82Å; V220-F223 PolarHBondContact O-N 2.88Å; Q221-F223 PolarHBondContact O-N 3.34Å; F223-K227 WeakPolarHBondContact O-CB 3.44Å; F223-K227 PolarHBondContact O-N 3.44Å
224	F	57.9	Low	53.8	Low	51 Å²	51	89.4 Å²	89.4	22%	0.224	43%	0.425	C	S	.	.	H	α-helix	trans	-65.3	-46.6	174.2	-68.8	-43.6	0	0	0	111.3	V220 Q221 K227 A228 V387	V220-F224 HydrophobicContact CB-CE2 4.42Å; V220-F224 HydrophobicContact CG1-CD2 3.52Å; V220-F224 HydrophobicContact CG1-CE2 3.08Å; V220-F224 HydrophobicContact CG1-CZ 3.96Å; V220-F224 WeakPolarHBondContact O-CB 3.48Å; V220-F224 WeakPolarHBondContact O-CD2 3.29Å; V220-F224 VanDerWaalsContact O-CG 3.25Å; V220-F224 WeakPolarHBondContact O-CG 3.47Å; V220-F224 PolarHBondContact O-N 2.95Å; Q221-F224 PolarHBondContact O-N 3.29Å; F224-K227 PolarHBondContact O-N 3.37Å; F224-A228 WeakPolarHBondContact O-CB 3.45Å; F224-A228 PolarHBondContact O-N 2.87Å; F224-V387 HydrophobicContact CE1-CB 4.26Å; F224-V387 HydrophobicContact CE1-CG1 3.8Å; F224-V387 HydrophobicContact CE1-CG2 4.16Å; F224-V387 HydrophobicContact CZ-CG1 4.14Å
225	D	53.8	Low	52.4	Low	89 Å²	89	92.9 Å²	92.9	48%	0.476	44%	0.442	S	S	.	.	H	α-helix	trans	-67.9	-42.4	178	-64.1	-20.7	0	0	0	111.8	Q221 A228 H229	Q221-D225 VanDerWaalsContact O-CB 3.27Å; Q221-D225 WeakPolarHBondContact O-CB 3.39Å; Q221-D225 PolarHBondContact O-N 3Å; D225-A228 PolarHBondContact O-N 3.26Å; D225-H229 VanDerWaalsContact O-CB 3.24Å; D225-H229 WeakPolarHBondContact O-CB 3.43Å; D225-H229 PolarHBondContact O-CD2 2.79Å; D225-H229 PolarHBondContact O-N 3.44Å
226	L	49.3	Very low	51.5	Low	119 Å²	119	93.6 Å²	93.6	62%	0.623	45%	0.45	S	S	*	.	H	α-helix	trans	-68.5	-39.2	177.6	-171.5	79	0	0	0	110.5	R222 Y230	R222-L226 WeakPolarHBondContact O-CA 3.41Å; R222-L226 WeakPolarHBondContact O-CB 3.28Å; R222-L226 PolarHBondContact O-N 3.25Å; L226-Y230 WeakPolarHBondContact O-CA 3.49Å; L226-Y230 WeakPolarHBondContact O-CB 3.44Å; L226-Y230 PolarHBondContact O-N 2.89Å
227	K	52.7	Low	50.9	Low	65 Å²	65	91.3 Å²	91.3	28%	0.283	44%	0.44	S	S	.	.	H	α-helix	trans	-69.4	-40	175.5	-172.8	160.1	179	154.4	0	111.3	F223 F224 Y230 E231	F223-K227 WeakPolarHBondContact O-CB 3.44Å; F223-K227 PolarHBondContact O-N 3.44Å; F224-K227 PolarHBondContact O-N 3.37Å; K227-Y230 PolarHBondContact O-N 3.24Å; K227-E231 WeakPolarHBondContact O-CB 3.47Å; K227-E231 PolarHBondContact O-N 3.48Å
228	A	53.7	Low	50.3	Low	31 Å²	31	91.2 Å²	91.2	26%	0.256	44%	0.439	S	S	.	.	H	α-helix	trans	-58.8	-52.1	171.2	0	0	0	0	0	110.7	F224 D225 Y230 E231 E232 M411	F224-A228 WeakPolarHBondContact O-CB 3.45Å; F224-A228 PolarHBondContact O-N 2.87Å; D225-A228 PolarHBondContact O-N 3.26Å; A228-Y230 VanDerWaalsContact C-N 3.35Å; A228-Y230 PolarHBondContact O-N 2.9Å; A228-E231 PolarHBondContact O-N 3.25Å; A228-E232 WeakPolarHBondContact O-CB 3.35Å; A228-E232 PolarHBondContact O-N 2.79Å; A228-M411 HydrophobicContact CB-SD 4.09Å
229	H	47.4	Very low	50.2	Low	120 Å²	120	94.4 Å²	94.4	56%	0.556	45%	0.446	S	S	*	.	H	α-helix	trans	-65.5	-32.2	177.1	-77.4	-52.8	0	0	0	113.4	D225 E232 S233	D225-H229 VanDerWaalsContact O-CB 3.24Å; D225-H229 WeakPolarHBondContact O-CB 3.43Å; D225-H229 PolarHBondContact O-CD2 2.79Å; D225-H229 PolarHBondContact O-N 3.44Å; H229-E232 IonicContact ND1-OE2 3.6Å; H229-S233 WeakPolarHBondContact O-CB 3.28Å; H229-S233 PolarHBondContact O-N 2.62Å; H229-S233 PolarHBondContact O-OG 3.13Å
230	Y	45.4	Very low	49.9	Very low	63 Å²	63	90.7 Å²	90.7	25%	0.247	44%	0.443	C	S	.	.	H	α-helix	trans	-76	-29	179.2	-177.5	-94.8	0	0	0	113.1	L226 K227 A228 I238 R242 T245	L226-Y230 WeakPolarHBondContact O-CA 3.49Å; L226-Y230 WeakPolarHBondContact O-CB 3.44Å; L226-Y230 PolarHBondContact O-N 2.89Å; K227-Y230 PolarHBondContact O-N 3.24Å; A228-Y230 VanDerWaalsContact C-N 3.35Å; A228-Y230 PolarHBondContact O-N 2.9Å; Y230-I238 HydrophobicContact CD2-CG2 3.96Å; Y230-I238 HydrophobicContact CE2-CG2 4.07Å; Y230-R242 HydrophobicContact CE1-CG 4.48Å; Y230-R242 HydrophobicContact CE2-CG 4.48Å; Y230-R242 WeakPolarHBondContact OH-CA 3.49Å; Y230-R242 WeakPolarHBondContact OH-CG 3.43Å; Y230-T245 HydrophobicContact CE2-CG2 4.37Å; Y230-T245 PolarHBondContact OH-OG1 3.45Å
231	E	49.6	Very low	49.1	Very low	41 Å²	41	94 Å²	94	19%	0.192	46%	0.46	C	S	.	.	H	α-helix	trans	-83.4	-32	171.1	-72.2	-174.8	-177.5	0	0	112.2	K227 A228 T385	K227-E231 WeakPolarHBondContact O-CB 3.47Å; K227-E231 PolarHBondContact O-N 3.48Å; A228-E231 PolarHBondContact O-N 3.25Å; E231-T385 PolarHBondContact OE1-OG1 3.44Å; E231-T385 WeakPolarHBondContact OE2-CB 3.26Å; E231-T385 PolarHBondContact OE2-OG1 3.13Å
232	E	54.8	Low	48.8	Very low	148 Å²	148	93.8 Å²	93.8	69%	0.692	46%	0.456	S	S	*	.	H	α-helix	trans	-79.8	-27.5	179.3	-169	179.6	-164.7	0	0	113.4	A228 H229 D234	A228-E232 WeakPolarHBondContact O-CB 3.35Å; A228-E232 PolarHBondContact O-N 2.79Å; H229-E232 IonicContact ND1-OE2 3.6Å; E232-D234 PolarHBondContact O-N 2.91Å
233	S	38.6	Very low	48.7	Very low	35 Å²	35	94.6 Å²	94.6	25%	0.245	46%	0.463	C	S	.	.			trans	-86.1	95.1	-175.7	56.8	0	0	0	0	113.3	H229 H235 I238	H229-S233 WeakPolarHBondContact O-CB 3.28Å; H229-S233 PolarHBondContact O-N 2.62Å; H229-S233 PolarHBondContact O-OG 3.13Å; S233-H235 PolarHBondContact O-N 2.7Å; S233-I238 VanDerWaalsContact CB-CD1 3.48Å; S233-I238 WeakPolarHBondContact OG-CD1 3.47Å
234	D	46.8	Very low	48	Very low	136 Å²	136	92.9 Å²	92.9	73%	0.727	46%	0.462	S	S	*	.			trans	-73	21.3	172.4	-90.6	-23.6	0	0	0	114.8	E232	E232-D234 PolarHBondContact O-N 2.91Å
235	H	42.5	Very low	47.4	Very low	132 Å²	132	92.3 Å²	92.3	61%	0.611	46%	0.463	S	S	*	.			trans	-82.9	130.5	179.4	-149.1	59.7	0	0	0	112.4	S233 V237 I238	S233-H235 PolarHBondContact O-N 2.7Å; H235-V237 PolarHBondContact O-N 2.95Å; H235-I238 WeakPolarHBondContact O-CB 3.03Å; H235-I238 PolarHBondContact O-N 3Å
236	L	48.1	Very low	47.1	Very low	138 Å²	138	92.5 Å²	92.5	72%	0.723	46%	0.463	S	S	*	.	H	α-helix	trans	-50.3	-31.7	-174.5	-171.5	70.2	0	0	0	114.2	I238 R239	L236-I238 PolarHBondContact O-N 2.66Å; L236-R239 WeakPolarHBondContact O-CB 3.42Å; L236-R239 PolarHBondContact O-N 3.09Å
237	V	49.6	Very low	46.8	Very low	87 Å²	87	95.1 Å²	95.1	53%	0.527	47%	0.465	S	S	.	.	H	α-helix	trans	-63.9	-25.4	177.5	-177.7	0	0	0	0	112.2	H235 S240 L241	H235-V237 PolarHBondContact O-N 2.95Å; V237-S240 PolarHBondContact O-OG 3.32Å; V237-L241 WeakPolarHBondContact O-CG 3.49Å; V237-L241 PolarHBondContact O-N 3.41Å
238	I	44.4	Very low	45.8	Very low	37 Å²	37	95.3 Å²	95.3	19%	0.19	47%	0.469	C	S	.	.	H	α-helix	trans	-82.7	-24	179.3	-61.4	176.1	0	0	0	110.9	Y230 S233 H235 L236 S240 L241 R242	Y230-I238 HydrophobicContact CD2-CG2 3.96Å; Y230-I238 HydrophobicContact CE2-CG2 4.07Å; S233-I238 VanDerWaalsContact CB-CD1 3.48Å; S233-I238 WeakPolarHBondContact OG-CD1 3.47Å; H235-I238 WeakPolarHBondContact O-CB 3.03Å; H235-I238 PolarHBondContact O-N 3Å; L236-I238 PolarHBondContact O-N 2.66Å; I238-S240 VanDerWaalsContact C-N 3.35Å; I238-S240 PolarHBondContact O-N 3.34Å; I238-L241 CarbonylContact O-C 3.36Å; I238-L241 PolarHBondContact O-N 2.68Å; I238-R242 WeakPolarHBondContact O-CG 3.18Å; I238-R242 PolarHBondContact O-N 2.72Å
239	R	49.5	Very low	45.4	Very low	179 Å²	179	96.5 Å²	96.5	68%	0.675	48%	0.475	S	S	*	.	H	α-helix	trans	-66.1	-34.5	172.5	-170.8	178	-178.9	163.5	1.5	112.7	L236 R242	L236-R239 WeakPolarHBondContact O-CB 3.42Å; L236-R239 PolarHBondContact O-N 3.09Å; R239-R242 WeakPolarHBondContact O-CB 3.32Å
240	S	46.6	Very low	45.3	Very low	78 Å²	78	96.8 Å²	96.8	55%	0.545	48%	0.481	S	S	.	.	H	α-helix	trans	-74.8	-31.6	172.6	57.7	0	0	0	0	111.7	V237 I238	V237-S240 PolarHBondContact O-OG 3.32Å; I238-S240 VanDerWaalsContact C-N 3.35Å; I238-S240 PolarHBondContact O-N 3.34Å
241	L	36.1	Very low	45	Very low	82 Å²	82	99 Å²	99	43%	0.429	50%	0.497	S	S	.	.	H	α-helix	trans	-65.7	-34	171.5	-68.9	169.1	0	0	0	112	V237 I238 F243 V244 T245	V237-L241 WeakPolarHBondContact O-CG 3.49Å; V237-L241 PolarHBondContact O-N 3.41Å; I238-L241 CarbonylContact O-C 3.36Å; I238-L241 PolarHBondContact O-N 2.68Å; L241-F243 VanDerWaalsContact C-N 3.27Å; L241-F243 PolarHBondContact O-N 2.77Å; L241-F243 VanDerWaalsContact O-N 3.14Å; L241-V244 CarbonylContact O-C 3.53Å; L241-V244 WeakPolarHBondContact O-CA 3.12Å; L241-V244 PolarHBondContact O-N 3.3Å; L241-T245 PolarHBondContact O-N 2.67Å; L241-T245 PolarHBondContact O-OG1 3.37Å
242	R	50.9	Low	44.5	Very low	85 Å²	85	105 Å²	105	32%	0.321	52%	0.522	S	S	.	.	H	α-helix	trans	-46.4	-45.1	176.5	-73.6	177.7	179	108	5.6	114	Y230 I238 R239 V244 T245 D246	Y230-R242 HydrophobicContact CE1-CG 4.48Å; Y230-R242 HydrophobicContact CE2-CG 4.48Å; Y230-R242 WeakPolarHBondContact OH-CA 3.49Å; Y230-R242 WeakPolarHBondContact OH-CG 3.43Å; I238-R242 WeakPolarHBondContact O-CG 3.18Å; I238-R242 PolarHBondContact O-N 2.72Å; R239-R242 WeakPolarHBondContact O-CB 3.32Å; R242-V244 PolarHBondContact O-N 3.42Å; R242-T245 VanDerWaalsContact CA-OG1 3.27Å; R242-T245 WeakPolarHBondContact CA-OG1 3.21Å; R242-T245 PolarHBondContact O-OG1 3.4Å; R242-D246 WeakPolarHBondContact O-CB 3.34Å; R242-D246 PolarHBondContact O-N 3.43Å
243	F	49.7	Very low	44	Very low	158 Å²	158	99.1 Å²	99.1	69%	0.693	50%	0.502	S	S	*	.	H	α-helix	trans	-70.1	-23.4	180	-131.1	-83.4	0	0	0	113.2	L241	L241-F243 VanDerWaalsContact C-N 3.27Å; L241-F243 PolarHBondContact O-N 2.77Å; L241-F243 VanDerWaalsContact O-N 3.14Å
244	V	39.9	Very low	44.1	Very low	76 Å²	76	98.7 Å²	98.7	46%	0.461	50%	0.503	S	S	.	.	H	α-helix	trans	-93.5	-37	178	-175.2	0	0	0	0	110.9	L241 R242 R247 L248	L241-V244 CarbonylContact O-C 3.53Å; L241-V244 WeakPolarHBondContact O-CA 3.12Å; L241-V244 PolarHBondContact O-N 3.3Å; R242-V244 PolarHBondContact O-N 3.42Å; V244-R247 CarbonylContact O-C 3.55Å; V244-R247 WeakPolarHBondContact O-CB 3.39Å; V244-R247 PolarHBondContact O-N 2.78Å; V244-L248 HydrophobicContact CG1-CD1 3.83Å; V244-L248 HydrophobicContact CG1-CG 4.17Å; V244-L248 WeakPolarHBondContact O-CB 3.14Å; V244-L248 VanDerWaalsContact O-CG 3.25Å; V244-L248 WeakPolarHBondContact O-CG 3.4Å; V244-L248 PolarHBondContact O-N 2.78Å
245	T	45.8	Very low	43.6	Very low	40 Å²	40	98.8 Å²	98.8	25%	0.245	50%	0.503	C	S	.	.	H	α-helix	trans	-74.6	-27.2	176.2	43.8	0	0	0	0	112.9	Y230 L241 R242 R247 L248 S249	Y230-T245 HydrophobicContact CE2-CG2 4.37Å; Y230-T245 PolarHBondContact OH-OG1 3.45Å; L241-T245 PolarHBondContact O-N 2.67Å; L241-T245 PolarHBondContact O-OG1 3.37Å; R242-T245 VanDerWaalsContact CA-OG1 3.27Å; R242-T245 WeakPolarHBondContact CA-OG1 3.21Å; R242-T245 PolarHBondContact O-OG1 3.4Å; T245-R247 VanDerWaalsContact C-N 3.28Å; T245-L248 PolarHBondContact O-N 2.73Å; T245-S249 WeakPolarHBondContact O-CA 3.21Å; T245-S249 WeakPolarHBondContact O-CB 3.37Å; T245-S249 PolarHBondContact O-N 3.04Å; T245-S249 PolarHBondContact O-OG 2.75Å
246	D	47.6	Very low	43.6	Very low	92 Å²	92	100.3 Å²	100.3	49%	0.492	51%	0.507	S	S	.	.	H	α-helix	trans	-66.1	-36.4	167.5	-71.1	-11.7	0	0	0	110.4	R242 S249 N250	R242-D246 WeakPolarHBondContact O-CB 3.34Å; R242-D246 PolarHBondContact O-N 3.43Å; D246-S249 PolarHBondContact O-OG 3.22Å; D246-N250 PolarHBondContact O-N 3.07Å; D246-N250 PolarHBondContact O-ND2 2.7Å; D246-N250 VanDerWaalsContact O-ND2 3.13Å
247	R	42.2	Very low	43.9	Very low	174 Å²	174	95.3 Å²	95.3	66%	0.657	48%	0.484	S	S	*	.	H	α-helix	trans	-72.3	-39	172	-69.3	-173.9	-178.6	-171.1	0.6	112.4	V244 T245 L251	V244-R247 CarbonylContact O-C 3.55Å; V244-R247 WeakPolarHBondContact O-CB 3.39Å; V244-R247 PolarHBondContact O-N 2.78Å; T245-R247 VanDerWaalsContact C-N 3.28Å; R247-L251 VanDerWaalsContact O-CG 3.27Å; R247-L251 WeakPolarHBondContact O-CG 3.13Å; R247-L251 PolarHBondContact O-N 2.83Å
248	L	32	Very low	44.4	Very low	70 Å²	70	93.8 Å²	93.8	37%	0.366	48%	0.475	S	S	.	.	H	α-helix	trans	-79.5	-29.2	-178.5	-69.7	177	0	0	0	112.7	V244 T245 L251 F252	V244-L248 HydrophobicContact CG1-CD1 3.83Å; V244-L248 HydrophobicContact CG1-CG 4.17Å; V244-L248 WeakPolarHBondContact O-CB 3.14Å; V244-L248 VanDerWaalsContact O-CG 3.25Å; V244-L248 WeakPolarHBondContact O-CG 3.4Å; V244-L248 PolarHBondContact O-N 2.78Å; T245-L248 PolarHBondContact O-N 2.73Å; L248-L251 HydrophobicContact CD2-CD1 4.35Å; L248-L251 CarbonylContact O-C 3.54Å; L248-L251 PolarHBondContact O-N 3.04Å; L248-L251 VanDerWaalsContact O-N 3.12Å; L248-F252 HydrophobicContact CB-CD2 4.05Å; L248-F252 HydrophobicContact CB-CE2 4.4Å; L248-F252 HydrophobicContact CD2-CD2 4.39Å; L248-F252 HydrophobicContact CD2-CE2 4.05Å; L248-F252 WeakPolarHBondContact O-CB 3.25Å; L248-F252 WeakPolarHBondContact O-CD2 3.19Å; L248-F252 PolarHBondContact O-N 3.15Å
249	S	46.4	Very low	45.9	Very low	56 Å²	56	96.2 Å²	96.2	39%	0.392	49%	0.488	S	S	.	.	H	α-helix	trans	-69.5	-36.5	172.6	60.3	0	0	0	0	110.8	T245 D246 L251 G253	T245-S249 WeakPolarHBondContact O-CA 3.21Å; T245-S249 WeakPolarHBondContact O-CB 3.37Å; T245-S249 PolarHBondContact O-N 3.04Å; T245-S249 PolarHBondContact O-OG 2.75Å; D246-S249 PolarHBondContact O-OG 3.22Å; S249-L251 PolarHBondContact O-N 3.27Å; S249-G253 VanDerWaalsContact O-CA 3.24Å; S249-G253 WeakPolarHBondContact O-CA 3.3Å; S249-G253 PolarHBondContact O-N 2.81Å
250	N	45.6	Very low	47.4	Very low	126 Å²	126	91.4 Å²	91.4	67%	0.674	48%	0.476	S	S	*	.	H	α-helix	trans	-62.8	-25.8	168.7	-68.1	-13.6	0	0	0	112.7	D246	D246-N250 PolarHBondContact O-N 3.07Å; D246-N250 PolarHBondContact O-ND2 2.7Å; D246-N250 VanDerWaalsContact O-ND2 3.13Å
251	L	38.8	Very low	49.2	Very low	109 Å²	109	89 Å²	89	57%	0.571	46%	0.457	S	S	*	.	H	α-helix	trans	-94	-41.6	179.4	-66.6	172.6	0	0	0	113.5	R247 L248 S249	R247-L251 VanDerWaalsContact O-CG 3.27Å; R247-L251 WeakPolarHBondContact O-CG 3.13Å; R247-L251 PolarHBondContact O-N 2.83Å; L248-L251 HydrophobicContact CD2-CD1 4.35Å; L248-L251 CarbonylContact O-C 3.54Å; L248-L251 PolarHBondContact O-N 3.04Å; L248-L251 VanDerWaalsContact O-N 3.12Å; S249-L251 PolarHBondContact O-N 3.27Å
252	F	39.2	Very low	51.4	Low	166 Å²	166	90.4 Å²	90.4	73%	0.728	46%	0.461	S	S	*	.	H	α-helix	trans	-84.6	-29.4	180	-78.7	-75.1	0	0	0	112.9	L248 G254	L248-F252 HydrophobicContact CB-CD2 4.05Å; L248-F252 HydrophobicContact CB-CE2 4.4Å; L248-F252 HydrophobicContact CD2-CD2 4.39Å; L248-F252 HydrophobicContact CD2-CE2 4.05Å; L248-F252 WeakPolarHBondContact O-CB 3.25Å; L248-F252 WeakPolarHBondContact O-CD2 3.19Å; L248-F252 PolarHBondContact O-N 3.15Å; F252-G254 VanDerWaalsContact C-N 3.3Å
253	G	43.6	Very low	53.2	Low	26 Å²	26	91.6 Å²	91.6	27%	0.268	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-2	167.4	0	0	0	0	0	113.5	S249 S257	S249-G253 VanDerWaalsContact O-CA 3.24Å; S249-G253 WeakPolarHBondContact O-CA 3.3Å; S249-G253 PolarHBondContact O-N 2.81Å; G253-S257 PolarHBondContact O-OG 2.88Å
254	G	41.2	Very low	55	Low	25 Å²	25	84.1 Å²	84.1	26%	0.258	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-24.4	-179	0	0	0	0	0	115.1	F252 T258	F252-G254 VanDerWaalsContact C-N 3.3Å; G254-T258 WeakPolarHBondContact O-CG2 3.42Å; G254-T258 PolarHBondContact O-OG1 3.37Å
255	L	36.5	Very low	57.2	Low	139 Å²	139	81.8 Å²	81.8	73%	0.728	42%	0.422	S	S	*	.	S	Bend	trans	-100.2	-8.8	-165	-99.7	85.3	0	0	0	116.9
256	K	42.5	Very low	59.2	Low	164 Å²	164	84.3 Å²	84.3	71%	0.713	43%	0.434	S	S	*	.	S	Bend	trans	-134.4	-40.2	174.5	-77	-171.4	177.8	-177.7	0	114.9	T258 N259	K256-T258 VanDerWaalsContact C-N 3.29Å; K256-T258 PolarHBondContact O-N 2.77Å; K256-N259 PolarHBondContact O-N 3.05Å
257	S	53.8	Low	61.1	Low	32 Å²	32	83.6 Å²	83.6	22%	0.224	43%	0.428	C	S	.	.	H	α-helix	trans	-67	-26.1	179.8	36.5	0	0	0	0	114	G253 L261	G253-S257 PolarHBondContact O-OG 2.88Å; S257-L261 VanDerWaalsContact O-CB 3.23Å; S257-L261 WeakPolarHBondContact O-CB 2.97Å; S257-L261 PolarHBondContact O-N 3.39Å
258	T	59.7	Low	63.3	Low	55 Å²	55	75.3 Å²	75.3	34%	0.337	40%	0.397	S	S	.	.	H	α-helix	trans	-65.3	-39.9	177.4	47.4	0	0	0	0	112	G254 K256 Q262	G254-T258 WeakPolarHBondContact O-CG2 3.42Å; G254-T258 PolarHBondContact O-OG1 3.37Å; K256-T258 VanDerWaalsContact C-N 3.29Å; K256-T258 PolarHBondContact O-N 2.77Å; T258-Q262 WeakPolarHBondContact O-CB 2.83Å; T258-Q262 WeakPolarHBondContact O-CG 3.19Å; T258-Q262 PolarHBondContact O-N 3.11Å
259	N	77.1	Confident	65.9	Low	88 Å²	88	75.6 Å²	75.6	47%	0.471	40%	0.398	S	S	.	.	H	α-helix	trans	-69.4	-45.2	178.6	-69.2	-6.8	0	0	0	111.5	K256 L261 Q262 Q263	K256-N259 PolarHBondContact O-N 3.05Å; N259-L261 VanDerWaalsContact C-N 3.34Å; N259-L261 PolarHBondContact O-N 3.43Å; N259-Q262 PolarHBondContact O-N 3.26Å; N259-Q263 WeakPolarHBondContact O-CG 3.01Å; N259-Q263 PolarHBondContact O-N 2.84Å
260	D	80.4	Confident	67.8	Low	79 Å²	79	80.6 Å²	80.6	42%	0.422	41%	0.413	S	S	.	.	H	α-helix	trans	-63.9	-42.3	179.3	-64.6	-13.6	0	0	0	110.7	Q263 V264	D260-Q263 PolarHBondContact O-N 2.89Å; D260-V264 WeakPolarHBondContact O-CG2 3.33Å; D260-V264 PolarHBondContact O-N 3.37Å; D260-V264 VanDerWaalsContact O-N 3.1Å
261	L	83.4	Confident	69.6	Low	27 Å²	27	80.2 Å²	80.2	14%	0.141	41%	0.408	C	S	.	.	H	α-helix	trans	-63.5	-44.5	174.8	179.6	138.1	0	0	0	111.7	S257 N259 Q263 V264 L265 V342	S257-L261 VanDerWaalsContact O-CB 3.23Å; S257-L261 WeakPolarHBondContact O-CB 2.97Å; S257-L261 PolarHBondContact O-N 3.39Å; N259-L261 VanDerWaalsContact C-N 3.34Å; N259-L261 PolarHBondContact O-N 3.43Å; L261-Q263 PolarHBondContact O-N 3.08Å; L261-V264 PolarHBondContact O-N 3.42Å; L261-L265 HydrophobicContact CD2-CD1 3.44Å; L261-L265 VanDerWaalsContact CD2-CD1 3.44Å; L261-L265 HydrophobicContact CD2-CG 4.11Å; L261-L265 HydrophobicContact CG-CD1 4.21Å; L261-L265 HydrophobicContact CG-CG 4.36Å; L261-L265 WeakPolarHBondContact O-CB 3.28Å; L261-L265 VanDerWaalsContact O-CG 3.24Å; L261-L265 WeakPolarHBondContact O-CG 3.13Å; L261-L265 PolarHBondContact O-N 2.83Å; L261-V342 HydrophobicContact CD1-CG1 3.94Å
262	Q	84.1	Confident	71.7	Confident	111 Å²	111	75.8 Å²	75.8	52%	0.519	39%	0.385	S	S	.	.	H	α-helix	trans	-61.3	-43	177.1	-78	175	3.1	0	0	112.3	T258 N259 V264 L265 D266	T258-Q262 WeakPolarHBondContact O-CB 2.83Å; T258-Q262 WeakPolarHBondContact O-CG 3.19Å; T258-Q262 PolarHBondContact O-N 3.11Å; N259-Q262 PolarHBondContact O-N 3.26Å; Q262-V264 VanDerWaalsContact C-N 3.29Å; Q262-V264 PolarHBondContact O-N 2.88Å; Q262-L265 PolarHBondContact O-N 2.92Å; Q262-D266 WeakPolarHBondContact O-CB 3.17Å; Q262-D266 VanDerWaalsContact O-CG 3.23Å; Q262-D266 PolarHBondContact O-N 2.82Å
263	Q	87.2	Confident	73.9	Confident	111 Å²	111	73.3 Å²	73.3	52%	0.519	39%	0.386	S	S	.	.	H	α-helix	trans	-58.8	-43.1	175.2	-72	174.8	14.3	0	0	111.7	N259 D260 L261 D266 E267	N259-Q263 WeakPolarHBondContact O-CG 3.01Å; N259-Q263 PolarHBondContact O-N 2.84Å; D260-Q263 PolarHBondContact O-N 2.89Å; L261-Q263 PolarHBondContact O-N 3.08Å; Q263-D266 PolarHBondContact O-N 2.65Å; Q263-E267 WeakPolarHBondContact O-CG 3.49Å; Q263-E267 PolarHBondContact O-N 2.86Å
264	V	87.4	Confident	75.9	Confident	1 Å²	1	76.6 Å²	76.6	1%	0.006	41%	0.405	C	S	.	.	H	α-helix	trans	-65.8	-43	177.9	175	0	0	0	0	111.3	D260 L261 Q262 E267 I268 M347 P352 L354	D260-V264 WeakPolarHBondContact O-CG2 3.33Å; D260-V264 PolarHBondContact O-N 3.37Å; D260-V264 VanDerWaalsContact O-N 3.1Å; L261-V264 PolarHBondContact O-N 3.42Å; Q262-V264 VanDerWaalsContact C-N 3.29Å; Q262-V264 PolarHBondContact O-N 2.88Å; V264-E267 PolarHBondContact O-N 2.81Å; V264-I268 HydrophobicContact CG1-CD1 3.89Å; V264-I268 WeakPolarHBondContact O-CD1 3.4Å; V264-I268 WeakPolarHBondContact O-CG1 3.36Å; V264-I268 PolarHBondContact O-N 3.26Å; V264-M347 HydrophobicContact CB-SD 3.98Å; V264-M347 HydrophobicContact CG1-SD 4.11Å; V264-M347 HydrophobicContact CG2-CB 4.42Å; V264-M347 HydrophobicContact CG2-CG 3.6Å; V264-M347 HydrophobicContact CG2-SD 3.56Å; V264-M347 VanDerWaalsContact CG2-SD 3.56Å; V264-P352 HydrophobicContact CG1-CB 3.7Å; V264-L354 HydrophobicContact CG1-CD2 3.77Å
265	L	87.6	Confident	78.1	Confident	26 Å²	26	76.7 Å²	76.7	14%	0.136	40%	0.398	C	S	.	.	H	α-helix	trans	-62.6	-42.2	175	-68.7	178.9	0	0	0	111.6	L261 Q262 E267 I268 I269 F275 L277	L261-L265 HydrophobicContact CD2-CD1 3.44Å; L261-L265 VanDerWaalsContact CD2-CD1 3.44Å; L261-L265 HydrophobicContact CD2-CG 4.11Å; L261-L265 HydrophobicContact CG-CD1 4.21Å; L261-L265 HydrophobicContact CG-CG 4.36Å; L261-L265 WeakPolarHBondContact O-CB 3.28Å; L261-L265 VanDerWaalsContact O-CG 3.24Å; L261-L265 WeakPolarHBondContact O-CG 3.13Å; L261-L265 PolarHBondContact O-N 2.83Å; Q262-L265 PolarHBondContact O-N 2.92Å; L265-E267 VanDerWaalsContact C-N 3.31Å; L265-E267 PolarHBondContact O-N 3.2Å; L265-I268 PolarHBondContact O-N 3.44Å; L265-I269 WeakPolarHBondContact O-CB 3Å; L265-I269 VanDerWaalsContact O-CG1 3.23Å; L265-I269 WeakPolarHBondContact O-CG1 3.38Å; L265-I269 PolarHBondContact O-N 3.35Å; L265-F275 HydrophobicContact CD2-CD1 4.48Å; L265-F275 HydrophobicContact CD2-CE1 3.62Å; L265-F275 HydrophobicContact CD2-CZ 4.43Å; L265-L277 HydrophobicContact CD2-CD1 4.2Å
266	D	87.6	Confident	80.6	Confident	93 Å²	93	73.6 Å²	73.6	50%	0.497	38%	0.382	S	S	.	.	H	α-helix	trans	-62.7	-39.6	177.8	-72.6	-18.3	0	0	0	111.3	Q262 Q263 I269 K270	Q262-D266 WeakPolarHBondContact O-CB 3.17Å; Q262-D266 VanDerWaalsContact O-CG 3.23Å; Q262-D266 PolarHBondContact O-N 2.82Å; Q263-D266 PolarHBondContact O-N 2.65Å; D266-I269 PolarHBondContact O-N 2.97Å; D266-K270 VanDerWaalsContact O-CG 3.23Å; D266-K270 WeakPolarHBondContact O-CG 3.17Å; D266-K270 PolarHBondContact O-N 3.26Å
267	E	86.8	Confident	82.8	Confident	78 Å²	78	68.4 Å²	68.4	36%	0.364	36%	0.362	S	S	.	.	H	α-helix	trans	-67.6	-39.1	174.2	-72.1	-167	-149.9	0	0	112.7	Q263 V264 L265 K270 M271 M347	Q263-E267 WeakPolarHBondContact O-CG 3.49Å; Q263-E267 PolarHBondContact O-N 2.86Å; V264-E267 PolarHBondContact O-N 2.81Å; L265-E267 VanDerWaalsContact C-N 3.31Å; L265-E267 PolarHBondContact O-N 3.2Å; E267-K270 PolarHBondContact O-N 3.2Å; E267-M271 WeakPolarHBondContact O-CG 3.18Å; E267-M271 PolarHBondContact O-N 2.94Å; E267-M347 HydrophobicContact CB-CE 4.38Å; E267-M347 HydrophobicContact CB-SD 4.01Å; E267-M347 VanDerWaalsContact CD-CE 3.43Å; E267-M347 HydrophobicContact CG-CE 4.49Å; E267-M347 HydrophobicContact CG-SD 4.19Å; E267-M347 WeakPolarHBondContact OE2-CE 3.23Å
268	I	87.7	Confident	84.4	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-63.5	-43.6	173.3	-65.9	162.5	0	0	0	110.6	V264 L265 M271 D272 F275 P352 L354 W403	V264-I268 HydrophobicContact CG1-CD1 3.89Å; V264-I268 WeakPolarHBondContact O-CD1 3.4Å; V264-I268 WeakPolarHBondContact O-CG1 3.36Å; V264-I268 PolarHBondContact O-N 3.26Å; L265-I268 PolarHBondContact O-N 3.44Å; I268-M271 PolarHBondContact O-N 3.02Å; I268-D272 PolarHBondContact O-N 3.4Å; I268-F275 HydrophobicContact CB-CD1 4.31Å; I268-F275 HydrophobicContact CD1-CE1 4.45Å; I268-F275 HydrophobicContact CD1-CZ 4.41Å; I268-F275 HydrophobicContact CG2-CB 3.86Å; I268-F275 HydrophobicContact CG2-CD1 3.56Å; I268-F275 HydrophobicContact CG2-CD2 3.57Å; I268-F275 HydrophobicContact CG2-CE1 3.96Å; I268-F275 HydrophobicContact CG2-CE2 3.96Å; I268-F275 HydrophobicContact CG2-CG 3.35Å; I268-F275 HydrophobicContact CG2-CZ 4.14Å; I268-P352 HydrophobicContact CD1-CB 4.09Å; I268-P352 HydrophobicContact CD1-CG 4.37Å; I268-P352 HydrophobicContact CG1-CB 3.75Å; I268-P352 HydrophobicContact CG1-CG 3.65Å; I268-L354 HydrophobicContact CD1-CD1 3.96Å; I268-L354 HydrophobicContact CD1-CD2 4.21Å; I268-L354 HydrophobicContact CD1-CG 4.14Å; I268-W403 HydrophobicContact CD1-CH2 4.09Å
269	I	87.9	Confident	85.8	Confident	76 Å²	76	75 Å²	75	39%	0.39	39%	0.393	S	S	.	.	H	α-helix	trans	-67.1	-36.3	180	-68.6	163.9	0	0	0	111.4	L265 D266 M271 D272 P273 F275	L265-I269 WeakPolarHBondContact O-CB 3Å; L265-I269 VanDerWaalsContact O-CG1 3.23Å; L265-I269 WeakPolarHBondContact O-CG1 3.38Å; L265-I269 PolarHBondContact O-N 3.35Å; D266-I269 PolarHBondContact O-N 2.97Å; I269-M271 PolarHBondContact O-N 3.01Å; I269-D272 WeakPolarHBondContact CA-O 3.34Å; I269-D272 CarbonylContact O-C 3.57Å; I269-D272 PolarHBondContact O-N 2.76Å; I269-P273 WeakPolarHBondContact O-CA 3.25Å; I269-F275 HydrophobicContact CG1-CB 4.47Å; I269-F275 HydrophobicContact CG1-CD1 4.42Å
270	K	86.3	Confident	86.4	Confident	161 Å²	161	71.1 Å²	71.1	70%	0.7	37%	0.372	S	S	*	.	H	α-helix	trans	-58.8	-37.8	172.7	-76.3	169	-168.2	167.2	0	111.8	D266 E267	D266-K270 VanDerWaalsContact O-CG 3.23Å; D266-K270 WeakPolarHBondContact O-CG 3.17Å; D266-K270 PolarHBondContact O-N 3.26Å; E267-K270 PolarHBondContact O-N 3.2Å
271	M	82.7	Confident	86.9	Confident	118 Å²	118	69.2 Å²	69.2	58%	0.581	36%	0.361	S	S	*	.	H	α-helix	trans	-83.4	-34.9	179.4	-65.4	-59.3	-67.6	0	0	112.6	E267 I268 I269	E267-M271 WeakPolarHBondContact O-CG 3.18Å; E267-M271 PolarHBondContact O-N 2.94Å; I268-M271 PolarHBondContact O-N 3.02Å; I269-M271 PolarHBondContact O-N 3.01Å
272	D	83.9	Confident	87.2	Confident	16 Å²	16	74.5 Å²	74.5	9%	0.086	38%	0.379	C	S	.	.			trans	-137.9	91.3	-176.9	178.4	5.9	0	0	0	110.1	I268 I269 S274 F275 R392 P399	I268-D272 PolarHBondContact O-N 3.4Å; I269-D272 WeakPolarHBondContact CA-O 3.34Å; I269-D272 CarbonylContact O-C 3.57Å; I269-D272 PolarHBondContact O-N 2.76Å; D272-S274 PolarHBondContact O-N 3.37Å; D272-S274 WeakPolarHBondContact OD1-CB 2.76Å; D272-S274 PolarHBondContact OD1-N 2.94Å; D272-S274 VanDerWaalsContact OD1-N 3.13Å; D272-S274 PolarHBondContact OD1-OG 2.82Å; D272-F275 HydrophobicContact CB-CB 4.33Å; D272-F275 VanDerWaalsContact O-CB 3.24Å; D272-F275 WeakPolarHBondContact O-CB 3.37Å; D272-F275 PolarHBondContact O-N 3.18Å; D272-R392 VanDerWaalsContact CB-NH1 3.32Å; D272-R392 VanDerWaalsContact CB-NH2 3.3Å; D272-R392 IonicContact OD2-CZ 2.86Å; D272-R392 IonicContact OD2-NH1 3.81Å; D272-R392 PolarHBondContact OD2-NH1 2.8Å; D272-R392 IonicContact OD2-NH2 3.82Å; D272-R392 PolarHBondContact OD2-NH2 3.3Å; D272-P399 VanDerWaalsContact OD2-CB 3.22Å; D272-P399 WeakPolarHBondContact OD2-CB 3.3Å
273	P	85.4	Confident	87.5	Confident	114 Å²	114	70.5 Å²	70.5	74%	0.74	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.6	-178.9	-25	35.1	0	0	0	114	I269 F275	I269-P273 WeakPolarHBondContact O-CA 3.25Å; P273-F275 VanDerWaalsContact C-N 3.32Å
274	S	84.6	Confident	87.7	Confident	95 Å²	95	65.2 Å²	65.2	66%	0.664	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-3.3	178.5	75.1	0	0	0	0	113.5	D272 N276	D272-S274 PolarHBondContact O-N 3.37Å; D272-S274 WeakPolarHBondContact OD1-CB 2.76Å; D272-S274 PolarHBondContact OD1-N 2.94Å; D272-S274 VanDerWaalsContact OD1-N 3.13Å; D272-S274 PolarHBondContact OD1-OG 2.82Å; S274-N276 PolarHBondContact O-N 3.43Å
275	F	87.4	Confident	87.8	Confident	27 Å²	27	67.8 Å²	67.8	12%	0.118	35%	0.345	C	S	.	.			trans	-67	126.8	-175.9	-174.5	-97.4	0	0	0	112.1	L265 I268 I269 D272 P273 F280 L354 W403	L265-F275 HydrophobicContact CD2-CD1 4.48Å; L265-F275 HydrophobicContact CD2-CE1 3.62Å; L265-F275 HydrophobicContact CD2-CZ 4.43Å; I268-F275 HydrophobicContact CB-CD1 4.31Å; I268-F275 HydrophobicContact CD1-CE1 4.45Å; I268-F275 HydrophobicContact CD1-CZ 4.41Å; I268-F275 HydrophobicContact CG2-CB 3.86Å; I268-F275 HydrophobicContact CG2-CD1 3.56Å; I268-F275 HydrophobicContact CG2-CD2 3.57Å; I268-F275 HydrophobicContact CG2-CE1 3.96Å; I268-F275 HydrophobicContact CG2-CE2 3.96Å; I268-F275 HydrophobicContact CG2-CG 3.35Å; I268-F275 HydrophobicContact CG2-CZ 4.14Å; I269-F275 HydrophobicContact CG1-CB 4.47Å; I269-F275 HydrophobicContact CG1-CD1 4.42Å; D272-F275 HydrophobicContact CB-CB 4.33Å; D272-F275 VanDerWaalsContact O-CB 3.24Å; D272-F275 WeakPolarHBondContact O-CB 3.37Å; D272-F275 PolarHBondContact O-N 3.18Å; P273-F275 VanDerWaalsContact C-N 3.32Å; F275-F280 HydrophobicContact CE2-CB 3.79Å; F275-F280 AromaticContact CE2-CD2 3.93Å; F275-F280 HydrophobicContact CE2-CD2 3.93Å; F275-F280 AromaticContact CE2-CG 3.92Å; F275-F280 HydrophobicContact CE2-CG 3.92Å; F275-F280 HydrophobicContact CZ-CB 3.83Å; F275-F280 HydrophobicContact CZ-CD1 4.42Å; F275-F280 HydrophobicContact CZ-CD2 4.35Å; F275-F280 AromaticContact CZ-CG 3.95Å; F275-F280 HydrophobicContact CZ-CG 3.95Å; F275-L354 HydrophobicContact CZ-CD1 4.15Å; F275-W403 HydrophobicContact CD2-CZ2 4.43Å; F275-W403 HydrophobicContact CE2-CH2 4.33Å; F275-W403 AromaticContact CE2-CZ2 3.72Å; F275-W403 HydrophobicContact CE2-CZ2 3.72Å; F275-W403 HydrophobicContact CZ-CZ2 4.44Å
276	N	88.5	Confident	87.8	Confident	73 Å²	73	70.2 Å²	70.2	39%	0.39	35%	0.354	S	S	.	.			trans	-131.2	131.4	173.1	178.1	-33.4	0	0	0	109	S274 E278 S279 F280	S274-N276 PolarHBondContact O-N 3.43Å; N276-E278 PolarHBondContact O-N 3.23Å; N276-E278 WeakPolarHBondContact OD1-CB 3.27Å; N276-E278 PolarHBondContact OD1-N 3.38Å; N276-S279 PolarHBondContact O-N 3.42Å; N276-F280 WeakPolarHBondContact O-CB 3.32Å; N276-F280 PolarHBondContact O-N 2.84Å
277	L	88.7	Confident	87.9	Confident	56 Å²	56	67.7 Å²	67.7	29%	0.293	34%	0.342	S	S	.	.	H	α-helix	trans	-57.9	-43.6	-179.3	-174.2	65.8	0	0	0	112.9	L265 S279 F280 I281 V342	L265-L277 HydrophobicContact CD2-CD1 4.2Å; L277-S279 VanDerWaalsContact C-N 3.35Å; L277-F280 WeakPolarHBondContact O-CB 3.41Å; L277-F280 PolarHBondContact O-N 2.72Å; L277-I281 HydrophobicContact CG-CD1 4.24Å; L277-I281 WeakPolarHBondContact O-CG1 3.46Å; L277-I281 PolarHBondContact O-N 3.31Å; L277-V342 HydrophobicContact CD1-CB 4.1Å; L277-V342 HydrophobicContact CD1-CG1 4.38Å; L277-V342 HydrophobicContact CD1-CG2 3.75Å
278	E	88.7	Confident	88.2	Confident	153 Å²	153	64 Å²	64	72%	0.715	33%	0.325	S	S	*	.	H	α-helix	trans	-66.1	-40.4	179.1	-63.4	-179.5	168.7	0	0	111.1	N276 F280 I281 R282	N276-E278 PolarHBondContact O-N 3.23Å; N276-E278 WeakPolarHBondContact OD1-CB 3.27Å; N276-E278 PolarHBondContact OD1-N 3.38Å; E278-F280 VanDerWaalsContact C-N 3.31Å; E278-F280 PolarHBondContact O-N 2.93Å; E278-I281 PolarHBondContact O-N 2.8Å; E278-R282 WeakPolarHBondContact O-CB 3.21Å; E278-R282 PolarHBondContact O-N 3.35Å
279	S	88.3	Confident	88.4	Confident	71 Å²	71	64 Å²	64	50%	0.497	33%	0.325	S	S	.	.	H	α-helix	trans	-65.8	-36.2	175.1	-63.3	0	0	0	0	111.6	N276 L277 R282 Y283	N276-S279 PolarHBondContact O-N 3.42Å; L277-S279 VanDerWaalsContact C-N 3.35Å; S279-R282 PolarHBondContact O-N 3.36Å; S279-Y283 WeakPolarHBondContact O-CB 3.44Å; S279-Y283 PolarHBondContact O-N 3.45Å
280	F	90.7	Very high	88.6	Confident	7 Å²	7	60.6 Å²	60.6	3%	0.031	31%	0.308	C	S	.	.	H	α-helix	trans	-67.3	-43.4	174.3	176.4	-105	0	0	0	112.4	F275 N276 L277 E278 R282 Y283 C284 V342 L354 I356 L390 W403	F275-F280 HydrophobicContact CE2-CB 3.79Å; F275-F280 AromaticContact CE2-CD2 3.93Å; F275-F280 HydrophobicContact CE2-CD2 3.93Å; F275-F280 AromaticContact CE2-CG 3.92Å; F275-F280 HydrophobicContact CE2-CG 3.92Å; F275-F280 HydrophobicContact CZ-CB 3.83Å; F275-F280 HydrophobicContact CZ-CD1 4.42Å; F275-F280 HydrophobicContact CZ-CD2 4.35Å; F275-F280 AromaticContact CZ-CG 3.95Å; F275-F280 HydrophobicContact CZ-CG 3.95Å; N276-F280 WeakPolarHBondContact O-CB 3.32Å; N276-F280 PolarHBondContact O-N 2.84Å; L277-F280 WeakPolarHBondContact O-CB 3.41Å; L277-F280 PolarHBondContact O-N 2.72Å; E278-F280 VanDerWaalsContact C-N 3.31Å; E278-F280 PolarHBondContact O-N 2.93Å; F280-R282 VanDerWaalsContact C-N 3.3Å; F280-R282 PolarHBondContact O-N 3.22Å; F280-Y283 WeakPolarHBondContact O-CB 3.46Å; F280-Y283 PolarHBondContact O-N 3.49Å; F280-C284 VanDerWaalsContact CZ-SG 3.51Å; F280-C284 WeakPolarHBondContact O-CB 3.24Å; F280-C284 PolarHBondContact O-N 2.86Å; F280-C284 PolarHBondContact O-SG 2.88Å; F280-C284 VanDerWaalsContact O-SG 3.35Å; F280-V342 HydrophobicContact CD1-CG2 4.13Å; F280-V342 HydrophobicContact CE1-CG2 4.15Å; F280-L354 HydrophobicContact CD1-CD1 4.05Å; F280-L354 HydrophobicContact CE1-CB 4.41Å; F280-L354 HydrophobicContact CE1-CD1 3.59Å; F280-L354 HydrophobicContact CZ-CD1 3.88Å; F280-I356 HydrophobicContact CE1-CG2 4.15Å; F280-L390 HydrophobicContact CZ-CD1 3.75Å; F280-W403 HydrophobicContact CD2-CZ2 4.03Å; F280-W403 AromaticContact CE2-CD2 3.66Å; F280-W403 HydrophobicContact CE2-CD2 3.66Å; F280-W403 AromaticContact CE2-CE2 3.51Å; F280-W403 AromaticContact CE2-CE3 3.97Å; F280-W403 HydrophobicContact CE2-CE3 3.97Å; F280-W403 HydrophobicContact CE2-CG 4.21Å; F280-W403 HydrophobicContact CE2-CH2 4Å; F280-W403 AromaticContact CE2-CZ2 3.71Å; F280-W403 HydrophobicContact CE2-CZ2 3.71Å; F280-W403 HydrophobicContact CE2-CZ3 4.12Å; F280-W403 AromaticContact CE2-NE1 3.97Å; F280-W403 HydrophobicContact CZ-CD2 4.32Å; F280-W403 HydrophobicContact CZ-CE3 4.17Å; F280-W403 HydrophobicContact CZ-CH2 4.26Å; F280-W403 HydrophobicContact CZ-CZ2 4.42Å; F280-W403 HydrophobicContact CZ-CZ3 4.13Å
281	I	91	Very high	88.9	Confident	39 Å²	39	53.4 Å²	53.4	20%	0.2	28%	0.277	C	S	.	.	H	α-helix	trans	-59.9	-43.5	174	-70.4	166.9	0	0	0	110.2	L277 E278 C284 R285 V340 V342	L277-I281 HydrophobicContact CG-CD1 4.24Å; L277-I281 WeakPolarHBondContact O-CG1 3.46Å; L277-I281 PolarHBondContact O-N 3.31Å; E278-I281 PolarHBondContact O-N 2.8Å; I281-C284 PolarHBondContact O-N 3.11Å; I281-R285 WeakPolarHBondContact O-CB 3.41Å; I281-R285 PolarHBondContact O-N 3.19Å; I281-V340 HydrophobicContact CG2-CB 4.33Å; I281-V340 HydrophobicContact CG2-CG1 4.16Å; I281-V340 WeakPolarHBondContact CG2-O 3.3Å; I281-V342 HydrophobicContact CD1-CG2 4.26Å; I281-V342 HydrophobicContact CG1-CG2 3.88Å
282	R	89.1	Confident	89.4	Confident	138 Å²	138	47.9 Å²	47.9	52%	0.521	25%	0.25	S	C	.	.	H	α-helix	trans	-60.3	-46.9	175.1	-176	176.8	179.9	167.3	1.3	111.8	E163 E278 S279 F280 C284 R285 F286	E163-R282 IonicContact OE1-NH1 3.96Å; E278-R282 WeakPolarHBondContact O-CB 3.21Å; E278-R282 PolarHBondContact O-N 3.35Å; S279-R282 PolarHBondContact O-N 3.36Å; F280-R282 VanDerWaalsContact C-N 3.3Å; F280-R282 PolarHBondContact O-N 3.22Å; R282-C284 VanDerWaalsContact C-N 3.34Å; R282-C284 PolarHBondContact O-N 3.41Å; R282-R285 PolarHBondContact O-N 3.44Å; R282-F286 HydrophobicContact CG-CD2 3.67Å; R282-F286 HydrophobicContact CG-CE2 3.84Å; R282-F286 VanDerWaalsContact O-CD2 3.28Å; R282-F286 WeakPolarHBondContact O-CD2 3.44Å; R282-F286 PolarHBondContact O-N 3.1Å
283	Y	90	Very high	89.9	Confident	28 Å²	28	47.2 Å²	47.2	11%	0.11	25%	0.246	C	C	.	.	H	α-helix	trans	-59.6	-44.5	176.2	173.3	-106.5	0	0	0	111.8	S279 F280 R285 V287 V288 W307 L400	S279-Y283 WeakPolarHBondContact O-CB 3.44Å; S279-Y283 PolarHBondContact O-N 3.45Å; F280-Y283 WeakPolarHBondContact O-CB 3.46Å; F280-Y283 PolarHBondContact O-N 3.49Å; Y283-R285 PolarHBondContact O-N 2.84Å; Y283-V287 HydrophobicContact CD2-CB 3.95Å; Y283-V287 HydrophobicContact CD2-CG1 4.45Å; Y283-V287 HydrophobicContact CD2-CG2 3.97Å; Y283-V287 HydrophobicContact CE2-CB 3.76Å; Y283-V287 HydrophobicContact CE2-CG1 3.77Å; Y283-V287 HydrophobicContact CE2-CG2 4.07Å; Y283-V287 WeakPolarHBondContact O-CA 3.36Å; Y283-V287 WeakPolarHBondContact O-CB 3.46Å; Y283-V287 PolarHBondContact O-N 2.79Å; Y283-V288 HydrophobicContact CD1-CG2 3.61Å; Y283-V288 HydrophobicContact CE1-CG2 3.13Å; Y283-V288 HydrophobicContact CG-CG2 4.47Å; Y283-V288 PolarHBondContact O-N 2.71Å; Y283-W307 WeakPolarHBondContact OH-CH2 3.41Å; Y283-L400 HydrophobicContact CD2-CD2 3.95Å; Y283-L400 HydrophobicContact CE2-CB 4.47Å; Y283-L400 HydrophobicContact CE2-CD2 3.87Å; Y283-L400 PolarHBondContact OH-O 2.76Å
284	C	91.4	Very high	90.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.214	C	C	.	.	I	π-helix	trans	-59.8	-46.9	175.1	-73.1	0	0	0	0	111.7	F280 I281 R282 F286 V288 I289 V340 I356	F280-C284 VanDerWaalsContact CZ-SG 3.51Å; F280-C284 WeakPolarHBondContact O-CB 3.24Å; F280-C284 PolarHBondContact O-N 2.86Å; F280-C284 PolarHBondContact O-SG 2.88Å; F280-C284 VanDerWaalsContact O-SG 3.35Å; I281-C284 PolarHBondContact O-N 3.11Å; R282-C284 VanDerWaalsContact C-N 3.34Å; R282-C284 PolarHBondContact O-N 3.41Å; C284-F286 PolarHBondContact O-N 2.99Å; C284-V288 PolarHBondContact O-N 3.36Å; C284-I289 HydrophobicContact CB-CD1 4.19Å; C284-I289 HydrophobicContact CB-CG1 4.49Å; C284-I289 VanDerWaalsContact O-CB 3.26Å; C284-I289 WeakPolarHBondContact O-CB 2.85Å; C284-I289 VanDerWaalsContact O-CG1 3.25Å; C284-I289 WeakPolarHBondContact O-CG1 3.32Å; C284-I289 PolarHBondContact O-N 2.91Å; C284-V340 HydrophobicContact CB-CG1 4.28Å; C284-I356 HydrophobicContact CB-CD1 4.5Å
285	R	89.5	Confident	90.6	Very high	54 Å²	54	37.9 Å²	37.9	20%	0.204	18%	0.182	C	C	.	.	I	π-helix	trans	-63.8	-41.5	-177.9	-177.9	176.6	174.3	-166.8	-3.5	113.7	E163 Q166 I281 R282 Y283 P290 V340	E163-R285 PolarHBondContact O-NH1 2.75Å; E163-R285 PolarHBondContact O-NH2 3.25Å; Q166-R285 PolarHBondContact O-NH2 3.37Å; I281-R285 WeakPolarHBondContact O-CB 3.41Å; I281-R285 PolarHBondContact O-N 3.19Å; R282-R285 PolarHBondContact O-N 3.44Å; Y283-R285 PolarHBondContact O-N 2.84Å; R285-P290 WeakPolarHBondContact O-CD 3.21Å; R285-P290 WeakPolarHBondContact O-CG 3.46Å; R285-V340 HydrophobicContact CB-CG2 4.19Å; R285-V340 HydrophobicContact CG-CG2 4.3Å
286	F	88.3	Confident	90.8	Very high	77 Å²	77	37.9 Å²	37.9	34%	0.338	18%	0.183	S	C	.	.	I	π-helix	trans	-98.1	-21.8	-172.7	-69	-68	0	0	0	114.3	Q166 R282 C284	Q166-F286 HydrophobicContact CB-CE1 4.4Å; Q166-F286 HydrophobicContact CB-CZ 4.26Å; Q166-F286 HydrophobicContact CG-CE1 4.09Å; Q166-F286 HydrophobicContact CG-CZ 4.32Å; R282-F286 HydrophobicContact CG-CD2 3.67Å; R282-F286 HydrophobicContact CG-CE2 3.84Å; R282-F286 VanDerWaalsContact O-CD2 3.28Å; R282-F286 WeakPolarHBondContact O-CD2 3.44Å; R282-F286 PolarHBondContact O-N 3.1Å; C284-F286 PolarHBondContact O-N 2.99Å
287	V	89.7	Confident	90.9	Very high	40 Å²	40	35.1 Å²	35.1	24%	0.242	17%	0.169	C	C	.	.	I	π-helix	trans	-120.3	-61.3	-173.6	-174.8	0	0	0	0	111.5	I180 Y283 N291 W307	I180-V287 HydrophobicContact CD1-CG1 3.67Å; I180-V287 HydrophobicContact CG1-CG1 4.42Å; I180-V287 HydrophobicContact CG2-CG1 4.43Å; Y283-V287 HydrophobicContact CD2-CB 3.95Å; Y283-V287 HydrophobicContact CD2-CG1 4.45Å; Y283-V287 HydrophobicContact CD2-CG2 3.97Å; Y283-V287 HydrophobicContact CE2-CB 3.76Å; Y283-V287 HydrophobicContact CE2-CG1 3.77Å; Y283-V287 HydrophobicContact CE2-CG2 4.07Å; Y283-V287 WeakPolarHBondContact O-CA 3.36Å; Y283-V287 WeakPolarHBondContact O-CB 3.46Å; Y283-V287 PolarHBondContact O-N 2.79Å; V287-N291 WeakPolarHBondContact O-CB 3.48Å; V287-N291 PolarHBondContact O-N 2.88Å; V287-N291 PolarHBondContact O-ND2 3.46Å; V287-W307 HydrophobicContact CG1-CH2 4.42Å
288	V	91.5	Very high	91	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	18%	0.177	C	C	.	.	I	π-helix	trans	-68.1	-55.4	-170.7	-173.3	0	0	0	0	111.3	Y283 C284 N291 V292 W307 L390	Y283-V288 HydrophobicContact CD1-CG2 3.61Å; Y283-V288 HydrophobicContact CE1-CG2 3.13Å; Y283-V288 HydrophobicContact CG-CG2 4.47Å; Y283-V288 PolarHBondContact O-N 2.71Å; C284-V288 PolarHBondContact O-N 3.36Å; V288-N291 PolarHBondContact O-N 3.34Å; V288-V292 HydrophobicContact CG1-CG2 4.45Å; V288-V292 WeakPolarHBondContact O-CB 3.24Å; V288-V292 WeakPolarHBondContact O-CG2 3.27Å; V288-V292 PolarHBondContact O-N 2.82Å; V288-W307 HydrophobicContact CB-CZ3 4.43Å; V288-W307 HydrophobicContact CG1-CE3 4.32Å; V288-W307 HydrophobicContact CG1-CZ3 4.07Å; V288-W307 HydrophobicContact CG2-CH2 4.2Å; V288-W307 HydrophobicContact CG2-CZ3 4.02Å; V288-L390 HydrophobicContact CG1-CD2 4.36Å
289	I	93.2	Very high	91	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.7	-50.4	-175.1	-63.4	165.6	0	0	0	111.2	C284 N291 V292 L293 V337 V340 I356 F358 W388	C284-I289 HydrophobicContact CB-CD1 4.19Å; C284-I289 HydrophobicContact CB-CG1 4.49Å; C284-I289 VanDerWaalsContact O-CB 3.26Å; C284-I289 WeakPolarHBondContact O-CB 2.85Å; C284-I289 VanDerWaalsContact O-CG1 3.25Å; C284-I289 WeakPolarHBondContact O-CG1 3.32Å; C284-I289 PolarHBondContact O-N 2.91Å; I289-N291 PolarHBondContact O-N 2.76Å; I289-V292 PolarHBondContact O-N 2.95Å; I289-L293 HydrophobicContact CG2-CD1 3.45Å; I289-L293 VanDerWaalsContact CG2-CD1 3.45Å; I289-L293 HydrophobicContact CG2-CG 4.01Å; I289-L293 VanDerWaalsContact O-CB 3.28Å; I289-L293 WeakPolarHBondContact O-CB 3.24Å; I289-L293 WeakPolarHBondContact O-CG 3.42Å; I289-L293 PolarHBondContact O-N 3.46Å; I289-V337 HydrophobicContact CG2-CG1 3.95Å; I289-V337 HydrophobicContact CG2-CG2 4.4Å; I289-V340 HydrophobicContact CD1-CB 4.35Å; I289-V340 HydrophobicContact CD1-CG1 3.68Å; I289-V340 HydrophobicContact CD1-CG2 3.65Å; I289-I356 HydrophobicContact CD1-CD1 4.18Å; I289-I356 HydrophobicContact CG1-CD1 4.23Å; I289-F358 HydrophobicContact CD1-CD1 3.65Å; I289-F358 HydrophobicContact CD1-CE1 3.92Å; I289-F358 HydrophobicContact CD1-CG 4.01Å; I289-F358 HydrophobicContact CD1-CZ 4.49Å; I289-F358 HydrophobicContact CG1-CD1 4.17Å; I289-F358 HydrophobicContact CG1-CE1 3.9Å; I289-F358 HydrophobicContact CG1-CZ 4.27Å; I289-F358 HydrophobicContact CG2-CD2 4.2Å; I289-F358 HydrophobicContact CG2-CE1 4.14Å; I289-F358 HydrophobicContact CG2-CE2 3.7Å; I289-F358 HydrophobicContact CG2-CZ 3.65Å; I289-W388 HydrophobicContact CB-CH2 4.42Å; I289-W388 HydrophobicContact CB-CZ3 4.24Å; I289-W388 HydrophobicContact CG1-CE3 4.31Å; I289-W388 HydrophobicContact CG1-CH2 4.44Å; I289-W388 HydrophobicContact CG1-CZ3 3.89Å; I289-W388 HydrophobicContact CG2-CH2 4.26Å
290	P	92.4	Very high	91.1	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.032	15%	0.147	C	C	.	.	H	α-helix	trans	-62.6	-41.1	179	-22.9	35	0	0	0	112.7	Y168 P171 R285 E294	Y168-P290 HydrophobicContact CE2-CB 3.88Å; Y168-P290 HydrophobicContact CE2-CG 3.95Å; P171-P290 HydrophobicContact CG-CB 4.12Å; R285-P290 WeakPolarHBondContact O-CD 3.21Å; R285-P290 WeakPolarHBondContact O-CG 3.46Å; P290-E294 WeakPolarHBondContact O-CB 3.32Å; P290-E294 WeakPolarHBondContact O-CG 3.34Å; P290-E294 PolarHBondContact O-N 2.75Å
291	N	92.7	Very high	91.2	Very high	10 Å²	10	32.8 Å²	32.8	5%	0.053	15%	0.154	C	C	.	.	H	α-helix	trans	-65.1	-45.7	180	-77.7	-33.4	0	0	0	112.2	V287 V288 I289 A295 W307	V287-N291 WeakPolarHBondContact O-CB 3.48Å; V287-N291 PolarHBondContact O-N 2.88Å; V287-N291 PolarHBondContact O-ND2 3.46Å; V288-N291 PolarHBondContact O-N 3.34Å; I289-N291 PolarHBondContact O-N 2.76Å; N291-A295 VanDerWaalsContact O-CB 3.25Å; N291-A295 WeakPolarHBondContact O-CB 3.26Å; N291-A295 PolarHBondContact O-N 2.56Å; N291-W307 HydrophobicContact CB-CZ2 4.4Å
292	V	93.4	Very high	91.2	Very high	1 Å²	1	41 Å²	41	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-72.5	-45	-177.6	174.2	0	0	0	0	111.2	V288 I289 E294 A295 I296 L304 W307 W388 V405 I408	V288-V292 HydrophobicContact CG1-CG2 4.45Å; V288-V292 WeakPolarHBondContact O-CB 3.24Å; V288-V292 WeakPolarHBondContact O-CG2 3.27Å; V288-V292 PolarHBondContact O-N 2.82Å; I289-V292 PolarHBondContact O-N 2.95Å; V292-E294 PolarHBondContact O-N 3.36Å; V292-A295 PolarHBondContact O-N 2.97Å; V292-I296 HydrophobicContact CG1-CD1 4.13Å; V292-I296 WeakPolarHBondContact O-CG1 3.09Å; V292-I296 PolarHBondContact O-N 3.44Å; V292-L304 HydrophobicContact CG1-CD1 4.44Å; V292-W307 HydrophobicContact CG2-CB 3.72Å; V292-W307 HydrophobicContact CG2-CD2 4.15Å; V292-W307 HydrophobicContact CG2-CE3 4.5Å; V292-W307 HydrophobicContact CG2-CG 3.85Å; V292-W388 HydrophobicContact CB-CH2 3.61Å; V292-W388 HydrophobicContact CB-CZ3 3.87Å; V292-W388 HydrophobicContact CG1-CH2 3.58Å; V292-W388 HydrophobicContact CG1-CZ2 4.11Å; V292-W388 HydrophobicContact CG1-CZ3 4Å; V292-W388 HydrophobicContact CG2-CZ3 4.42Å; V292-V405 HydrophobicContact CG2-CG2 4.32Å; V292-I408 HydrophobicContact CG1-CD1 4.41Å
293	L	92.8	Very high	91.4	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-62	-45	177.6	-74.4	177.7	0	0	0	111.9	I289 A295 I296 V297 I334 V337 F358 A360 W388 M410	I289-L293 HydrophobicContact CG2-CD1 3.45Å; I289-L293 VanDerWaalsContact CG2-CD1 3.45Å; I289-L293 HydrophobicContact CG2-CG 4.01Å; I289-L293 VanDerWaalsContact O-CB 3.28Å; I289-L293 WeakPolarHBondContact O-CB 3.24Å; I289-L293 WeakPolarHBondContact O-CG 3.42Å; I289-L293 PolarHBondContact O-N 3.46Å; L293-A295 VanDerWaalsContact C-N 3.32Å; L293-A295 PolarHBondContact O-N 3.18Å; L293-I296 PolarHBondContact O-N 3.1Å; L293-V297 WeakPolarHBondContact O-CB 2.92Å; L293-V297 WeakPolarHBondContact O-CG2 3.48Å; L293-V297 PolarHBondContact O-N 3.35Å; L293-I334 HydrophobicContact CB-CD1 3.6Å; L293-I334 HydrophobicContact CB-CG1 4.42Å; L293-V337 HydrophobicContact CD1-CG2 4.02Å; L293-F358 HydrophobicContact CD1-CE2 3.88Å; L293-F358 HydrophobicContact CD1-CZ 4.27Å; L293-F358 HydrophobicContact CD2-CZ 4.46Å; L293-A360 HydrophobicContact CD1-CB 4.31Å; L293-W388 HydrophobicContact CD2-CH2 4.16Å; L293-W388 HydrophobicContact CD2-CZ2 3.63Å; L293-W388 HydrophobicContact CG-CH2 3.87Å; L293-W388 HydrophobicContact CG-CZ2 3.86Å; L293-M410 HydrophobicContact CD2-CE 4.18Å
294	E	92.6	Very high	91.5	Very high	13 Å²	13	33.9 Å²	33.9	6%	0.061	16%	0.157	C	C	.	.	H	α-helix	trans	-66.7	-34.1	177	-74.1	-77.9	153.7	0	0	111.9	Y168 A170 P171 L174 P290 V292 I296 V297 R298 I334	Y168-E294 WeakPolarHBondContact OH-CG 3.2Å; Y168-E294 PolarHBondContact OH-OE1 2.77Å; A170-E294 WeakPolarHBondContact CB-OE1 3.19Å; P171-E294 HydrophobicContact CG-CG 4.38Å; L174-E294 HydrophobicContact CD1-CB 4.32Å; L174-E294 HydrophobicContact CD2-CB 3.54Å; L174-E294 HydrophobicContact CD2-CG 4.4Å; P290-E294 WeakPolarHBondContact O-CB 3.32Å; P290-E294 WeakPolarHBondContact O-CG 3.34Å; P290-E294 PolarHBondContact O-N 2.75Å; V292-E294 PolarHBondContact O-N 3.36Å; E294-I296 VanDerWaalsContact C-N 3.32Å; E294-I296 PolarHBondContact O-N 3.01Å; E294-V297 PolarHBondContact O-N 2.82Å; E294-R298 VanDerWaalsContact O-CB 3.25Å; E294-R298 WeakPolarHBondContact O-CB 2.96Å; E294-R298 VanDerWaalsContact O-CG 3.26Å; E294-R298 WeakPolarHBondContact O-CG 3.46Å; E294-R298 PolarHBondContact O-N 3.24Å; E294-R298 IonicContact OE2-CZ 3.2Å; E294-R298 IonicContact OE2-NE 2.92Å; E294-R298 PolarHBondContact OE2-NE 2.85Å; E294-R298 IonicContact OE2-NH2 3.48Å; E294-R298 PolarHBondContact OE2-NH2 3.48Å; E294-I334 HydrophobicContact CG-CD1 3.99Å
295	A	93.1	Very high	91.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63	-39.4	173.3	0	0	0	0	0	111.8	L174 N291 V292 L293 G299 D300 I303 L304	L174-A295 HydrophobicContact CD1-CB 4.29Å; N291-A295 VanDerWaalsContact O-CB 3.25Å; N291-A295 WeakPolarHBondContact O-CB 3.26Å; N291-A295 PolarHBondContact O-N 2.56Å; V292-A295 PolarHBondContact O-N 2.97Å; L293-A295 VanDerWaalsContact C-N 3.32Å; L293-A295 PolarHBondContact O-N 3.18Å; A295-G299 CarbonylContact O-C 3.53Å; A295-G299 WeakPolarHBondContact O-CA 3.15Å; A295-G299 PolarHBondContact O-N 3.04Å; A295-D300 PolarHBondContact O-N 3.26Å; A295-I303 HydrophobicContact CB-CB 4.37Å; A295-I303 HydrophobicContact CB-CG2 4.16Å; A295-L304 HydrophobicContact CB-CB 4.41Å
296	I	91.5	Very high	91.6	Very high	28 Å²	28	38.1 Å²	38.1	14%	0.144	18%	0.18	C	C	.	.	H	α-helix	trans	-65.4	-48.6	174.3	-65.4	166.1	0	0	0	110.3	V292 L293 E294 G299 L304 L316 L320	V292-I296 HydrophobicContact CG1-CD1 4.13Å; V292-I296 WeakPolarHBondContact O-CG1 3.09Å; V292-I296 PolarHBondContact O-N 3.44Å; L293-I296 PolarHBondContact O-N 3.1Å; E294-I296 VanDerWaalsContact C-N 3.32Å; E294-I296 PolarHBondContact O-N 3.01Å; I296-G299 PolarHBondContact O-N 3.43Å; I296-L304 HydrophobicContact CD1-CD1 4.5Å; I296-L304 HydrophobicContact CG1-CD1 3.8Å; I296-L316 HydrophobicContact CD1-CD1 3.97Å; I296-L316 HydrophobicContact CD1-CD2 4.5Å; I296-L316 HydrophobicContact CG1-CD1 4.21Å; I296-L320 WeakPolarHBondContact O-CD2 3.36Å
297	V	91	Very high	91.8	Very high	15 Å²	15	34.5 Å²	34.5	9%	0.091	16%	0.163	C	C	.	.	H	α-helix	trans	-66.3	-44.4	-176.2	162.5	0	0	0	0	112.7	L293 E294 G299 S330 S332 I334	L293-V297 WeakPolarHBondContact O-CB 2.92Å; L293-V297 WeakPolarHBondContact O-CG2 3.48Å; L293-V297 PolarHBondContact O-N 3.35Å; E294-V297 PolarHBondContact O-N 2.82Å; V297-G299 VanDerWaalsContact C-N 3.33Å; V297-S330 WeakPolarHBondContact O-CB 3.24Å; V297-S330 PolarHBondContact O-OG 3.03Å; V297-S332 VanDerWaalsContact CG1-C 3.49Å; V297-S332 WeakPolarHBondContact CG1-O 3.4Å; V297-I334 HydrophobicContact CB-CD1 4.3Å; V297-I334 HydrophobicContact CG2-CD1 3.78Å; V297-I334 HydrophobicContact CG2-CG1 4.06Å
298	R	89.5	Confident	91.9	Very high	119 Å²	119	32.8 Å²	32.8	45%	0.449	15%	0.153	S	C	.	.	H	α-helix	trans	-78.4	-16.8	177.8	-61.8	-178.6	-166.7	-175.6	6.1	113	P171 N172 E294	P171-R298 PolarHBondContact O-NH2 3.23Å; N172-R298 PolarHBondContact O-NH1 3.38Å; E294-R298 VanDerWaalsContact O-CB 3.25Å; E294-R298 WeakPolarHBondContact O-CB 2.96Å; E294-R298 VanDerWaalsContact O-CG 3.26Å; E294-R298 WeakPolarHBondContact O-CG 3.46Å; E294-R298 PolarHBondContact O-N 3.24Å; E294-R298 IonicContact OE2-CZ 3.2Å; E294-R298 IonicContact OE2-NE 2.92Å; E294-R298 PolarHBondContact OE2-NE 2.85Å; E294-R298 IonicContact OE2-NH2 3.48Å; E294-R298 PolarHBondContact OE2-NH2 3.48Å
299	G	89.3	Confident	91.8	Very high	28 Å²	28	32.9 Å²	32.9	29%	0.289	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	31.8	-176.9	0	0	0	0	0	114.4	A295 I296 V297 L301	A295-G299 CarbonylContact O-C 3.53Å; A295-G299 WeakPolarHBondContact O-CA 3.15Å; A295-G299 PolarHBondContact O-N 3.04Å; I296-G299 PolarHBondContact O-N 3.43Å; V297-G299 VanDerWaalsContact C-N 3.33Å; G299-L301 PolarHBondContact O-N 2.9Å; G299-L301 VanDerWaalsContact O-N 3.12Å
300	D	91.3	Very high	91.5	Very high	56 Å²	56	37.3 Å²	37.3	30%	0.299	17%	0.174	S	C	.	.			trans	-80.7	92.4	177	-165.8	-22	0	0	0	111.3	L174 A295 R302 I303 L304	L174-D300 HydrophobicContact CD1-CB 4.47Å; A295-D300 PolarHBondContact O-N 3.26Å; D300-R302 PolarHBondContact O-N 3.48Å; D300-R302 WeakPolarHBondContact OD1-CB 3.44Å; D300-R302 PolarHBondContact OD1-N 2.8Å; D300-I303 PolarHBondContact O-N 2.79Å; D300-I303 PolarHBondContact OD1-N 3.44Å; D300-I303 VanDerWaalsContact OD2-CD1 3.3Å; D300-I303 WeakPolarHBondContact OD2-CD1 2.94Å; D300-L304 VanDerWaalsContact O-CB 3.31Å; D300-L304 WeakPolarHBondContact O-CB 3.24Å; D300-L304 PolarHBondContact O-N 3.31Å
301	L	92	Very high	91.1	Very high	34 Å²	34	38.9 Å²	38.9	18%	0.178	18%	0.184	C	C	.	.	H	α-helix	trans	-62.3	-25.6	179.6	-63.6	178.5	0	0	0	113.8	G299 H305 Y313 A317 L320 K321	G299-L301 PolarHBondContact O-N 2.9Å; G299-L301 VanDerWaalsContact O-N 3.12Å; L301-H305 VanDerWaalsContact O-CB 3.23Å; L301-H305 WeakPolarHBondContact O-CB 3.11Å; L301-H305 PolarHBondContact O-N 2.89Å; L301-Y313 HydrophobicContact CD2-CE2 4.47Å; L301-Y313 WeakPolarHBondContact O-CE2 3.43Å; L301-A317 HydrophobicContact CD2-CB 3.81Å; L301-L320 HydrophobicContact CD2-CB 3.98Å; L301-L320 HydrophobicContact CD2-CD1 3.95Å; L301-K321 HydrophobicContact CD1-CG 3.76Å
302	R	91.8	Very high	90.9	Very high	213 Å²	213	38.9 Å²	38.9	80%	0.804	18%	0.184	S	C	*	.	H	α-helix	trans	-72.9	-46	-176.9	-66.4	178.5	64.8	-174	-1.9	110.4	D300 D306	D300-R302 PolarHBondContact O-N 3.48Å; D300-R302 WeakPolarHBondContact OD1-CB 3.44Å; D300-R302 PolarHBondContact OD1-N 2.8Å; R302-D306 PolarHBondContact O-N 3.48Å
303	I	92.2	Very high	90.8	Very high	15 Å²	15	40.2 Å²	40.2	8%	0.077	19%	0.189	C	C	.	.	H	α-helix	trans	-73.4	-40.3	-179.3	-61.5	-179.7	0	0	0	109.6	L174 A295 D300 H305 D306 W307	L174-I303 HydrophobicContact CB-CD1 3.15Å; L174-I303 HydrophobicContact CB-CG1 4.49Å; L174-I303 HydrophobicContact CB-CG2 4.37Å; L174-I303 HydrophobicContact CD1-CD1 4.11Å; L174-I303 HydrophobicContact CG-CD1 4.25Å; L174-I303 WeakPolarHBondContact O-CD1 3.49Å; A295-I303 HydrophobicContact CB-CB 4.37Å; A295-I303 HydrophobicContact CB-CG2 4.16Å; D300-I303 PolarHBondContact O-N 2.79Å; D300-I303 PolarHBondContact OD1-N 3.44Å; D300-I303 VanDerWaalsContact OD2-CD1 3.3Å; D300-I303 WeakPolarHBondContact OD2-CD1 2.94Å; I303-H305 VanDerWaalsContact C-N 3.32Å; I303-H305 PolarHBondContact O-N 2.78Å; I303-D306 PolarHBondContact O-N 3.19Å; I303-D306 VanDerWaalsContact O-N 3.16Å; I303-W307 VanDerWaalsContact O-CD1 3.3Å; I303-W307 PolarHBondContact O-N 3.14Å; I303-W307 VanDerWaalsContact O-N 3.09Å
304	L	92.6	Very high	90.7	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-60.6	-41.3	175.7	-168.6	64.9	0	0	0	112.3	V292 A295 I296 D300 D306 W307 C308 Y313 L316 L320	V292-L304 HydrophobicContact CG1-CD1 4.44Å; A295-L304 HydrophobicContact CB-CB 4.41Å; I296-L304 HydrophobicContact CD1-CD1 4.5Å; I296-L304 HydrophobicContact CG1-CD1 3.8Å; D300-L304 VanDerWaalsContact O-CB 3.31Å; D300-L304 WeakPolarHBondContact O-CB 3.24Å; D300-L304 PolarHBondContact O-N 3.31Å; L304-D306 VanDerWaalsContact C-N 3.31Å; L304-D306 PolarHBondContact O-N 2.91Å; L304-W307 PolarHBondContact O-N 2.83Å; L304-C308 VanDerWaalsContact O-CB 3.26Å; L304-C308 WeakPolarHBondContact O-CB 3.31Å; L304-C308 PolarHBondContact O-N 2.98Å; L304-Y313 HydrophobicContact CB-CD2 4.43Å; L304-Y313 HydrophobicContact CB-CE2 4.49Å; L304-Y313 HydrophobicContact CD2-CD2 4.4Å; L304-Y313 HydrophobicContact CG-CD2 4.17Å; L304-L316 HydrophobicContact CD1-CD1 4.11Å; L304-L316 HydrophobicContact CD2-CB 3.85Å; L304-L316 HydrophobicContact CD2-CD1 4.37Å; L304-L320 HydrophobicContact CD2-CD1 3.81Å
305	H	92	Very high	90.5	Very high	111 Å²	111	47.8 Å²	47.8	51%	0.514	23%	0.234	S	C	.	.	H	α-helix	trans	-63.6	-36.3	175.8	-179.4	-80.4	0	0	0	112.6	L301 I303 Y313	L301-H305 VanDerWaalsContact O-CB 3.23Å; L301-H305 WeakPolarHBondContact O-CB 3.11Å; L301-H305 PolarHBondContact O-N 2.89Å; I303-H305 VanDerWaalsContact C-N 3.32Å; I303-H305 PolarHBondContact O-N 2.78Å; H305-Y313 VanDerWaalsContact CA-CD2 3.48Å; H305-Y313 HydrophobicContact CB-CD2 3.85Å; H305-Y313 HydrophobicContact CB-CE2 3.55Å; H305-Y313 HydrophobicContact CB-CG 4.49Å; H305-Y313 AromaticContact CD2-CD1 3.95Å; H305-Y313 AromaticContact CD2-CE1 3.79Å; H305-Y313 AromaticContact CD2-CZ 3.94Å
306	D	91.5	Very high	90.4	Very high	32 Å²	32	49.2 Å²	49.2	17%	0.171	24%	0.241	C	C	.	.	H	α-helix	trans	-69.9	-42.5	178.4	-178	43.7	0	0	0	111.5	T176 R177 R302 I303 L304	T176-D306 WeakPolarHBondContact CA-OD2 3.23Å; T176-D306 VanDerWaalsContact CB-OD2 3.25Å; T176-D306 WeakPolarHBondContact CB-OD2 3.46Å; T176-D306 HydrophobicContact CG2-CB 4.49Å; R177-D306 WeakPolarHBondContact CB-OD2 3.23Å; R177-D306 IonicContact CZ-OD1 3.77Å; R177-D306 PolarHBondContact N-OD2 3.3Å; R177-D306 PolarHBondContact NE-O 3.18Å; R177-D306 IonicContact NE-OD1 3.04Å; R177-D306 PolarHBondContact NE-OD1 3.46Å; R177-D306 IonicContact NE-OD2 3.29Å; R177-D306 PolarHBondContact NH2-O 2.89Å; R177-D306 IonicContact NH2-OD1 3.87Å; R177-D306 PolarHBondContact NH2-OD1 2.97Å; R302-D306 PolarHBondContact O-N 3.48Å; I303-D306 PolarHBondContact O-N 3.19Å; I303-D306 VanDerWaalsContact O-N 3.16Å; L304-D306 VanDerWaalsContact C-N 3.31Å; L304-D306 PolarHBondContact O-N 2.91Å
307	W	92.4	Very high	90.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-79.3	-27.9	-177	-77.5	99.7	0	0	0	115.1	K175 R177 I180 Y283 V287 V288 N291 V292 I303 L304 R404 V405	K175-W307 PolarHBondContact O-NE1 3.18Å; R177-W307 HydrophobicContact CG-CD2 3.62Å; R177-W307 HydrophobicContact CG-CE3 3.61Å; R177-W307 HydrophobicContact CG-CG 4.33Å; R177-W307 HydrophobicContact CG-CH2 3.94Å; R177-W307 HydrophobicContact CG-CZ2 3.95Å; R177-W307 HydrophobicContact CG-CZ3 3.75Å; I180-W307 HydrophobicContact CD1-CH2 3.78Å; I180-W307 HydrophobicContact CD1-CZ2 3.27Å; Y283-W307 WeakPolarHBondContact OH-CH2 3.41Å; V287-W307 HydrophobicContact CG1-CH2 4.42Å; V288-W307 HydrophobicContact CB-CZ3 4.43Å; V288-W307 HydrophobicContact CG1-CE3 4.32Å; V288-W307 HydrophobicContact CG1-CZ3 4.07Å; V288-W307 HydrophobicContact CG2-CH2 4.2Å; V288-W307 HydrophobicContact CG2-CZ3 4.02Å; N291-W307 HydrophobicContact CB-CZ2 4.4Å; V292-W307 HydrophobicContact CG2-CB 3.72Å; V292-W307 HydrophobicContact CG2-CD2 4.15Å; V292-W307 HydrophobicContact CG2-CE3 4.5Å; V292-W307 HydrophobicContact CG2-CG 3.85Å; I303-W307 VanDerWaalsContact O-CD1 3.3Å; I303-W307 PolarHBondContact O-N 3.14Å; I303-W307 VanDerWaalsContact O-N 3.09Å; L304-W307 PolarHBondContact O-N 2.83Å; W307-R404 WeakPolarHBondContact O-CA 3.21Å; W307-V405 PolarHBondContact O-N 3.49Å
308	C	91.2	Very high	90.4	Very high	4 Å²	4	50.7 Å²	50.7	3%	0.027	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-100.1	149.3	-176.2	-66.1	0	0	0	0	112	L304 P312	L304-C308 VanDerWaalsContact O-CB 3.26Å; L304-C308 WeakPolarHBondContact O-CB 3.31Å; L304-C308 PolarHBondContact O-N 2.98Å; C308-P312 HydrophobicContact CB-CG 4.22Å
309	H	88.9	Confident	90.4	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.019	25%	0.248	C	C	.	.			trans	-65.8	161.6	162.1	-82.5	-72.8	0	0	0	111.7	D203 W206 V311 P312 Y313 R404 V405	D203-H309 VanDerWaalsContact CG-ND1 3.25Å; D203-H309 IonicContact OD1-CE1 2.79Å; D203-H309 IonicContact OD1-ND1 3.54Å; D203-H309 IonicContact OD2-CE1 3.64Å; D203-H309 IonicContact OD2-CG 3.25Å; D203-H309 IonicContact OD2-ND1 3Å; D203-H309 PolarHBondContact OD2-ND1 3.33Å; W206-H309 AromaticContact CE3-CD2 3.94Å; W206-H309 AromaticContact CE3-CE1 3.46Å; W206-H309 VanDerWaalsContact CE3-CE1 3.46Å; W206-H309 AromaticContact CE3-NE2 3.15Å; W206-H309 AromaticContact CZ3-CE1 3.58Å; W206-H309 AromaticContact CZ3-NE2 3.06Å; W206-H309 WeakPolarHBondContact CZ3-NE2 3.32Å; H309-V311 PolarHBondContact O-N 3.36Å; H309-V311 VanDerWaalsContact O-N 3.15Å; H309-P312 HydrophobicContact CB-CG 3.98Å; H309-P312 WeakPolarHBondContact O-CD 3.15Å; H309-P312 VanDerWaalsContact O-CG 3.26Å; H309-P312 WeakPolarHBondContact O-CG 3.3Å; H309-Y313 WeakPolarHBondContact O-CB 3.31Å; H309-Y313 PolarHBondContact O-N 2.94Å; H309-R404 VanDerWaalsContact CE1-CD 3.43Å; H309-R404 WeakPolarHBondContact CE1-CD 3.23Å; H309-R404 VanDerWaalsContact NE2-CB 3.34Å; H309-R404 WeakPolarHBondContact NE2-CB 3.39Å; H309-R404 WeakPolarHBondContact NE2-CD 3.27Å; H309-V405 PolarHBondContact N-O 3Å
310	E	86.9	Confident	90.5	Very high	92 Å²	92	47.5 Å²	47.5	43%	0.43	24%	0.24	S	C	.	.	H	α-helix	trans	-52.1	-41.2	-176.2	-175	177.4	-177.7	0	0	113.1	D203 N314	D203-E310 HydrophobicContact CB-CB 4.45Å; E310-N314 WeakPolarHBondContact O-CB 3.41Å; E310-N314 PolarHBondContact O-N 3.38Å; E310-N314 PolarHBondContact O-ND2 3.18Å; E310-N314 VanDerWaalsContact O-ND2 3.13Å
311	V	84.1	Confident	90.5	Very high	39 Å²	39	48.9 Å²	48.9	24%	0.236	24%	0.244	C	C	.	.	H	α-helix	trans	-69.8	-57.7	-177.1	-172.7	0	0	0	0	113.3	F207 H309 Y313 N314 V315	F207-V311 HydrophobicContact CB-CB 4.42Å; F207-V311 HydrophobicContact CB-CG2 3.8Å; F207-V311 HydrophobicContact CD1-CG1 4.18Å; F207-V311 HydrophobicContact CD1-CG2 4.14Å; F207-V311 HydrophobicContact CD2-CB 3.71Å; F207-V311 HydrophobicContact CD2-CG1 3.54Å; F207-V311 HydrophobicContact CD2-CG2 3.97Å; F207-V311 HydrophobicContact CE1-CG1 4Å; F207-V311 HydrophobicContact CE2-CB 4.02Å; F207-V311 HydrophobicContact CE2-CG1 3.32Å; F207-V311 HydrophobicContact CG-CB 4Å; F207-V311 HydrophobicContact CG-CG1 3.95Å; F207-V311 HydrophobicContact CG-CG2 3.71Å; F207-V311 HydrophobicContact CZ-CG1 3.56Å; H309-V311 PolarHBondContact O-N 3.36Å; H309-V311 VanDerWaalsContact O-N 3.15Å; V311-Y313 PolarHBondContact O-N 2.7Å; V311-N314 PolarHBondContact O-N 3.23Å; V311-N314 VanDerWaalsContact O-N 3.1Å; V311-V315 PolarHBondContact O-N 2.8Å
312	P	87.7	Confident	90.5	Very high	9 Å²	9	52.4 Å²	52.4	6%	0.058	26%	0.259	C	S	.	.	H	α-helix	trans	-60.9	-32.5	175.7	24.6	-35.1	0	0	0	112	C308 H309 V315 L316 V405 L406	C308-P312 HydrophobicContact CB-CG 4.22Å; H309-P312 HydrophobicContact CB-CG 3.98Å; H309-P312 WeakPolarHBondContact O-CD 3.15Å; H309-P312 VanDerWaalsContact O-CG 3.26Å; H309-P312 WeakPolarHBondContact O-CG 3.3Å; P312-V315 PolarHBondContact O-N 3.16Å; P312-L316 WeakPolarHBondContact O-CG 3.46Å; P312-L316 PolarHBondContact O-N 3.33Å; P312-L316 VanDerWaalsContact O-N 3.08Å; P312-V405 WeakPolarHBondContact CG-O 3.32Å; P312-L406 WeakPolarHBondContact CD-O 3.3Å; P312-L406 VanDerWaalsContact CG-O 3.28Å; P312-L406 WeakPolarHBondContact CG-O 3.31Å
313	Y	91.7	Very high	90.4	Very high	29 Å²	29	44.5 Å²	44.5	11%	0.114	23%	0.232	C	C	.	.	H	α-helix	trans	-59.4	-47.7	172.6	172.8	-102.3	0	0	0	111.8	L301 L304 H305 H309 V311 V315 L316 A317	L301-Y313 HydrophobicContact CD2-CE2 4.47Å; L301-Y313 WeakPolarHBondContact O-CE2 3.43Å; L304-Y313 HydrophobicContact CB-CD2 4.43Å; L304-Y313 HydrophobicContact CB-CE2 4.49Å; L304-Y313 HydrophobicContact CD2-CD2 4.4Å; L304-Y313 HydrophobicContact CG-CD2 4.17Å; H305-Y313 VanDerWaalsContact CA-CD2 3.48Å; H305-Y313 HydrophobicContact CB-CD2 3.85Å; H305-Y313 HydrophobicContact CB-CE2 3.55Å; H305-Y313 HydrophobicContact CB-CG 4.49Å; H305-Y313 AromaticContact CD2-CD1 3.95Å; H305-Y313 AromaticContact CD2-CE1 3.79Å; H305-Y313 AromaticContact CD2-CZ 3.94Å; H309-Y313 WeakPolarHBondContact O-CB 3.31Å; H309-Y313 PolarHBondContact O-N 2.94Å; V311-Y313 PolarHBondContact O-N 2.7Å; Y313-V315 VanDerWaalsContact C-N 3.33Å; Y313-V315 PolarHBondContact O-N 2.94Å; Y313-L316 PolarHBondContact O-N 2.66Å; Y313-A317 HydrophobicContact CD1-CB 4.36Å; Y313-A317 HydrophobicContact CD2-CB 4.29Å; Y313-A317 HydrophobicContact CE1-CB 4Å; Y313-A317 HydrophobicContact CE2-CB 3.93Å; Y313-A317 WeakPolarHBondContact O-CA 3.48Å; Y313-A317 WeakPolarHBondContact O-CB 3.45Å; Y313-A317 PolarHBondContact O-N 3.45Å
314	N	90.4	Very high	90.2	Very high	73 Å²	73	51.4 Å²	51.4	39%	0.39	26%	0.261	S	S	.	.	H	α-helix	trans	-63.5	-38.1	-179.1	-74.2	-28.4	0	0	0	112.6	E310 V311 T318	E310-N314 WeakPolarHBondContact O-CB 3.41Å; E310-N314 PolarHBondContact O-N 3.38Å; E310-N314 PolarHBondContact O-ND2 3.18Å; E310-N314 VanDerWaalsContact O-ND2 3.13Å; V311-N314 PolarHBondContact O-N 3.23Å; V311-N314 VanDerWaalsContact O-N 3.1Å; N314-T318 PolarHBondContact O-N 3.42Å; N314-T318 PolarHBondContact O-OG1 2.88Å
315	V	89.5	Confident	90.2	Very high	102 Å²	102	58.8 Å²	58.8	62%	0.618	30%	0.296	S	S	*	.	H	α-helix	trans	-63.4	-45.1	176.1	177	0	0	0	0	111	V311 P312 Y313 P319	V311-V315 PolarHBondContact O-N 2.8Å; P312-V315 PolarHBondContact O-N 3.16Å; Y313-V315 VanDerWaalsContact C-N 3.33Å; Y313-V315 PolarHBondContact O-N 2.94Å; V315-P319 WeakPolarHBondContact O-CD 3.23Å
316	L	89.7	Confident	90.1	Very high	29 Å²	29	58.4 Å²	58.4	15%	0.152	30%	0.297	C	S	.	.	H	α-helix	trans	-78.4	-34.7	-179.3	-66.7	173.8	0	0	0	113.3	I296 L304 P312 Y313 T318 P319 L320 I408	I296-L316 HydrophobicContact CD1-CD1 3.97Å; I296-L316 HydrophobicContact CD1-CD2 4.5Å; I296-L316 HydrophobicContact CG1-CD1 4.21Å; L304-L316 HydrophobicContact CD1-CD1 4.11Å; L304-L316 HydrophobicContact CD2-CB 3.85Å; L304-L316 HydrophobicContact CD2-CD1 4.37Å; P312-L316 WeakPolarHBondContact O-CG 3.46Å; P312-L316 PolarHBondContact O-N 3.33Å; P312-L316 VanDerWaalsContact O-N 3.08Å; Y313-L316 PolarHBondContact O-N 2.66Å; L316-T318 PolarHBondContact O-N 3.24Å; L316-P319 WeakPolarHBondContact O-CD 3.13Å; L316-P319 WeakPolarHBondContact O-CG 3.36Å; L316-L320 WeakPolarHBondContact O-CD1 3.33Å; L316-L320 VanDerWaalsContact O-CG 3.28Å; L316-L320 WeakPolarHBondContact O-CG 3.42Å; L316-I408 HydrophobicContact CD1-CD1 3.57Å
317	A	91.2	Very high	90	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-72.8	-28.4	-176.4	0	0	0	0	0	112.5	L301 Y313 L320 K321	L301-A317 HydrophobicContact CD2-CB 3.81Å; Y313-A317 HydrophobicContact CD1-CB 4.36Å; Y313-A317 HydrophobicContact CD2-CB 4.29Å; Y313-A317 HydrophobicContact CE1-CB 4Å; Y313-A317 HydrophobicContact CE2-CB 3.93Å; Y313-A317 WeakPolarHBondContact O-CA 3.48Å; Y313-A317 WeakPolarHBondContact O-CB 3.45Å; Y313-A317 PolarHBondContact O-N 3.45Å; A317-L320 PolarHBondContact O-N 2.85Å; A317-K321 WeakPolarHBondContact O-CB 3.22Å; A317-K321 WeakPolarHBondContact O-CG 3.45Å; A317-K321 PolarHBondContact O-N 2.7Å
318	T	91.7	Very high	89.9	Confident	74 Å²	74	60.4 Å²	60.4	45%	0.454	31%	0.307	S	S	.	.	H	α-helix	trans	-58.3	-56.8	-179.8	-60.6	0	0	0	0	112.6	N314 L316 L320 K321 Q322	N314-T318 PolarHBondContact O-N 3.42Å; N314-T318 PolarHBondContact O-OG1 2.88Å; L316-T318 PolarHBondContact O-N 3.24Å; T318-L320 VanDerWaalsContact C-N 3.33Å; T318-L320 PolarHBondContact O-N 2.79Å; T318-K321 PolarHBondContact O-N 3.41Å; T318-Q322 VanDerWaalsContact O-CG 3.32Å; T318-Q322 WeakPolarHBondContact O-CG 3.27Å; T318-Q322 PolarHBondContact O-N 2.8Å
319	P	89.6	Confident	89.8	Confident	57 Å²	57	64.7 Å²	64.7	37%	0.37	33%	0.329	S	S	.	.	H	α-helix	trans	-64.5	-36.3	177.1	24.6	-34	0	0	0	112.4	V315 L316 K321 Q322 M323	V315-P319 WeakPolarHBondContact O-CD 3.23Å; L316-P319 WeakPolarHBondContact O-CD 3.13Å; L316-P319 WeakPolarHBondContact O-CG 3.36Å; P319-K321 PolarHBondContact O-N 2.81Å; P319-Q322 PolarHBondContact O-N 2.7Å; P319-M323 WeakPolarHBondContact O-CG 3.29Å; P319-M323 PolarHBondContact O-N 3.35Å
320	L	91.3	Very high	89.8	Confident	22 Å²	22	66.8 Å²	66.8	12%	0.115	34%	0.344	C	S	.	.	H	α-helix	trans	-63.1	-42.1	177.4	-66.5	176.4	0	0	0	112.6	I296 L301 L304 L316 A317 T318 M323 K324	I296-L320 WeakPolarHBondContact O-CD2 3.36Å; L301-L320 HydrophobicContact CD2-CB 3.98Å; L301-L320 HydrophobicContact CD2-CD1 3.95Å; L304-L320 HydrophobicContact CD2-CD1 3.81Å; L316-L320 WeakPolarHBondContact O-CD1 3.33Å; L316-L320 VanDerWaalsContact O-CG 3.28Å; L316-L320 WeakPolarHBondContact O-CG 3.42Å; A317-L320 PolarHBondContact O-N 2.85Å; T318-L320 VanDerWaalsContact C-N 3.33Å; T318-L320 PolarHBondContact O-N 2.79Å; L320-M323 HydrophobicContact CD2-CE 3.63Å; L320-M323 HydrophobicContact CG-CE 4.49Å; L320-K324 WeakPolarHBondContact O-CB 3.5Å; L320-K324 PolarHBondContact O-N 3.39Å; L320-K324 VanDerWaalsContact O-N 3.08Å
321	K	92.6	Very high	89.9	Confident	86 Å²	86	66.4 Å²	66.4	37%	0.374	34%	0.342	S	S	.	.	H	α-helix	trans	-65.9	-44.7	176	-74.9	171.6	-178.1	174.5	0	111.2	L301 A317 T318 P319 M323 K324 E325	L301-K321 HydrophobicContact CD1-CG 3.76Å; A317-K321 WeakPolarHBondContact O-CB 3.22Å; A317-K321 WeakPolarHBondContact O-CG 3.45Å; A317-K321 PolarHBondContact O-N 2.7Å; T318-K321 PolarHBondContact O-N 3.41Å; P319-K321 PolarHBondContact O-N 2.81Å; K321-M323 PolarHBondContact O-N 3.14Å; K321-K324 WeakPolarHBondContact O-CB 3.32Å; K321-K324 PolarHBondContact O-N 2.83Å; K321-K324 VanDerWaalsContact O-N 3.13Å; K321-E325 WeakPolarHBondContact O-CG 3.34Å; K321-E325 PolarHBondContact O-N 2.67Å
322	Q	91.3	Very high	90.2	Very high	108 Å²	108	65.5 Å²	65.5	51%	0.505	34%	0.337	S	S	.	.	H	α-helix	trans	-59.2	-46.2	176.4	-72.1	172.2	-8.8	0	0	111.8	T318 P319 K324 E325 L326	T318-Q322 VanDerWaalsContact O-CG 3.32Å; T318-Q322 WeakPolarHBondContact O-CG 3.27Å; T318-Q322 PolarHBondContact O-N 2.8Å; P319-Q322 PolarHBondContact O-N 2.7Å; Q322-K324 VanDerWaalsContact C-N 3.28Å; Q322-K324 PolarHBondContact O-N 3.28Å; Q322-E325 PolarHBondContact O-N 3.12Å; Q322-L326 WeakPolarHBondContact O-CG 3.27Å; Q322-L326 PolarHBondContact O-N 2.77Å
323	M	89.3	Confident	90.4	Very high	46 Å²	46	73.3 Å²	73.3	23%	0.227	37%	0.366	C	S	.	.	H	α-helix	trans	-59.5	-40	175.4	-74.5	-171.5	-73.3	0	0	112	P319 L320 K321 G327 Y328 I366	P319-M323 WeakPolarHBondContact O-CG 3.29Å; P319-M323 PolarHBondContact O-N 3.35Å; L320-M323 HydrophobicContact CD2-CE 3.63Å; L320-M323 HydrophobicContact CG-CE 4.49Å; K321-M323 PolarHBondContact O-N 3.14Å; M323-G327 WeakPolarHBondContact O-CA 3.36Å; M323-G327 PolarHBondContact O-N 3.24Å; M323-Y328 HydrophobicContact CG-CD2 4.48Å; M323-Y328 PolarHBondContact O-N 3.38Å; M323-I366 HydrophobicContact SD-CD1 3.56Å; M323-I366 VanDerWaalsContact SD-CD1 3.56Å; M323-I366 HydrophobicContact SD-CG1 4.26Å
324	K	89.2	Confident	90.5	Very high	161 Å²	161	72.6 Å²	72.6	70%	0.7	36%	0.364	S	S	*	.	H	α-helix	trans	-69	-37	178.2	-169.1	174.6	-176.7	174.9	0	113.1	L320 K321 Q322 G327	L320-K324 WeakPolarHBondContact O-CB 3.5Å; L320-K324 PolarHBondContact O-N 3.39Å; L320-K324 VanDerWaalsContact O-N 3.08Å; K321-K324 WeakPolarHBondContact O-CB 3.32Å; K321-K324 PolarHBondContact O-N 2.83Å; K321-K324 VanDerWaalsContact O-N 3.13Å; Q322-K324 VanDerWaalsContact C-N 3.28Å; Q322-K324 PolarHBondContact O-N 3.28Å; K324-G327 WeakPolarHBondContact O-CA 3.49Å; K324-G327 PolarHBondContact O-N 3.13Å; K324-G327 VanDerWaalsContact O-N 3.14Å
325	E	91.3	Very high	90.5	Very high	156 Å²	156	72.6 Å²	72.6	73%	0.729	36%	0.363	S	S	*	.	H	α-helix	trans	-67.3	-43.2	176.4	-74.9	170.6	-168.9	0	0	111.8	K321 Q322 G327	K321-E325 WeakPolarHBondContact O-CG 3.34Å; K321-E325 PolarHBondContact O-N 2.67Å; Q322-E325 PolarHBondContact O-N 3.12Å; E325-G327 PolarHBondContact O-N 3.36Å
326	L	90.1	Very high	90.6	Very high	102 Å²	102	69 Å²	69	53%	0.534	34%	0.341	S	S	.	.	H	α-helix	trans	-66.9	-23.6	171	-62	173.4	0	0	0	111.2	Q322 Y328 K369	Q322-L326 WeakPolarHBondContact O-CG 3.27Å; Q322-L326 PolarHBondContact O-N 2.77Å; L326-Y328 HydrophobicContact CB-CD2 3.84Å; L326-Y328 HydrophobicContact CB-CE1 4.49Å; L326-Y328 HydrophobicContact CB-CE2 3.74Å; L326-Y328 HydrophobicContact CB-CG 4.26Å; L326-Y328 HydrophobicContact CD1-CD2 4Å; L326-Y328 HydrophobicContact CD1-CE2 3.4Å; L326-Y328 HydrophobicContact CG-CE2 4.19Å; L326-K369 WeakPolarHBondContact O-CE 3.38Å
327	G	88.9	Confident	90.6	Very high	16 Å²	16	67.8 Å²	67.8	17%	0.165	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	34.9	179.9	0	0	0	0	0	112.6	M323 K324 E325 K369	M323-G327 WeakPolarHBondContact O-CA 3.36Å; M323-G327 PolarHBondContact O-N 3.24Å; K324-G327 WeakPolarHBondContact O-CA 3.49Å; K324-G327 PolarHBondContact O-N 3.13Å; K324-G327 VanDerWaalsContact O-N 3.14Å; E325-G327 PolarHBondContact O-N 3.36Å; G327-K369 VanDerWaalsContact CA-CE 3.42Å; G327-K369 VanDerWaalsContact O-CE 3.29Å; G327-K369 WeakPolarHBondContact O-CE 3.3Å; G327-K369 WeakPolarHBondContact O-CG 3.21Å
328	Y	90.9	Very high	90.4	Very high	59 Å²	59	71.6 Å²	71.6	23%	0.231	35%	0.352	C	S	.	.			trans	-70.6	149.5	166.8	-63	-37.1	0	0	0	111.2	M323 L326 I366 R367 D368 H374	M323-Y328 HydrophobicContact CG-CD2 4.48Å; M323-Y328 PolarHBondContact O-N 3.38Å; L326-Y328 HydrophobicContact CB-CD2 3.84Å; L326-Y328 HydrophobicContact CB-CE1 4.49Å; L326-Y328 HydrophobicContact CB-CE2 3.74Å; L326-Y328 HydrophobicContact CB-CG 4.26Å; L326-Y328 HydrophobicContact CD1-CD2 4Å; L326-Y328 HydrophobicContact CD1-CE2 3.4Å; L326-Y328 HydrophobicContact CG-CE2 4.19Å; Y328-I366 HydrophobicContact CD2-CG2 4.46Å; Y328-I366 HydrophobicContact CG-CG2 4.16Å; Y328-R367 WeakPolarHBondContact CA-O 3.39Å; Y328-D368 HydrophobicContact CD1-CB 4.39Å; Y328-D368 HydrophobicContact CE1-CB 4.37Å; Y328-H374 AromaticContact CE2-CD2 3.64Å; Y328-H374 AromaticContact CE2-NE2 3.59Å; Y328-H374 AromaticContact CZ-CD2 3.67Å; Y328-H374 AromaticContact CZ-CE1 3.83Å; Y328-H374 AromaticContact CZ-CG 3.98Å; Y328-H374 AromaticContact CZ-NE2 3.57Å; Y328-H374 PolarHBondContact OH-CE1 2.93Å; Y328-H374 PolarHBondContact OH-NE2 3.33Å
329	I	89.3	Confident	90.1	Very high	93 Å²	93	73.6 Å²	73.6	48%	0.477	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	118.6	179.6	-57.5	171.7	0	0	0	107.5	E331 R367	I329-E331 PolarHBondContact O-N 3.03Å; I329-R367 PolarHBondContact N-O 3.48Å; I329-R367 PolarHBondContact O-N 2.78Å
330	S	88.5	Confident	90.1	Very high	48 Å²	48	71.8 Å²	71.8	34%	0.336	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	115.7	173.6	-175.7	0	0	0	0	109.2	V297	V297-S330 WeakPolarHBondContact O-CB 3.24Å; V297-S330 PolarHBondContact O-OG 3.03Å
331	E	89.2	Confident	89.9	Confident	85 Å²	85	74.8 Å²	74.8	40%	0.397	36%	0.364	S	S	.	.			trans	-104.8	17.7	169.8	-70.8	-169.5	172	0	0	112.1	I329 C365 R367	I329-E331 PolarHBondContact O-N 3.03Å; E331-C365 CarbonylContact C-O 3.54Å; E331-C365 WeakPolarHBondContact CA-O 3.47Å; E331-C365 HydrophobicContact CB-CB 4.41Å; E331-C365 PolarHBondContact N-O 2.95Å; E331-R367 VanDerWaalsContact CD-CD 3.5Å; E331-R367 VanDerWaalsContact CD-NE 3.3Å; E331-R367 IonicContact OE1-NE 3.54Å; E331-R367 WeakPolarHBondContact OE2-CD 3.42Å; E331-R367 IonicContact OE2-CZ 3.63Å; E331-R367 IonicContact OE2-NE 2.71Å; E331-R367 PolarHBondContact OE2-NE 2.93Å; E331-R367 IonicContact OE2-NH2 3.66Å
332	S	91.7	Very high	89.7	Confident	19 Å²	19	71.3 Å²	71.3	13%	0.133	35%	0.35	C	S	.	.			trans	-61.2	147	177	-59.4	0	0	0	0	110.9	V297 I363 N364 C365	V297-S332 VanDerWaalsContact CG1-C 3.49Å; V297-S332 WeakPolarHBondContact CG1-O 3.4Å; S332-I363 CarbonylContact C-O 3.57Å; S332-I363 WeakPolarHBondContact CA-O 3.44Å; S332-I363 WeakPolarHBondContact CB-O 3.27Å; S332-N364 WeakPolarHBondContact OG-CA 3.4Å; S332-C365 PolarHBondContact N-O 3.09Å; S332-C365 PolarHBondContact OG-N 3.47Å; S332-C365 PolarHBondContact OG-O 3.38Å
333	R	91.7	Very high	89.4	Confident	174 Å²	174	69.6 Å²	69.6	66%	0.657	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.1	137.5	-177.8	-65.7	-177.8	-176.1	175.5	1.1	111.1	Q362 I363	R333-Q362 CarbonylContact O-C 3.5Å; R333-Q362 VanDerWaalsContact O-CA 3.28Å; R333-Q362 WeakPolarHBondContact O-CA 3.48Å; R333-Q362 WeakPolarHBondContact O-CB 3.25Å; R333-I363 PolarHBondContact N-O 3.44Å; R333-I363 PolarHBondContact O-N 3.39Å
334	I	92.6	Very high	89	Confident	13 Å²	13	69 Å²	69	7%	0.067	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	127.7	169.5	-59.3	133.1	0	0	0	107.7	Y168 L293 E294 V297 V337 Q362	Y168-I334 HydrophobicContact CD1-CG2 4.06Å; Y168-I334 HydrophobicContact CE1-CB 3.8Å; Y168-I334 HydrophobicContact CE1-CG2 3.54Å; Y168-I334 HydrophobicContact CE2-CG2 4.22Å; L293-I334 HydrophobicContact CB-CD1 3.6Å; L293-I334 HydrophobicContact CB-CG1 4.42Å; E294-I334 HydrophobicContact CG-CD1 3.99Å; V297-I334 HydrophobicContact CB-CD1 4.3Å; V297-I334 HydrophobicContact CG2-CD1 3.78Å; V297-I334 HydrophobicContact CG2-CG1 4.06Å; I334-V337 HydrophobicContact CG2-CG2 4.03Å; I334-Q362 HydrophobicContact CG1-CB 4.48Å
335	L	91.2	Very high	88.8	Confident	73 Å²	73	61.3 Å²	61.3	38%	0.382	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-47	178.7	-58.7	-178.1	0	0	0	110.7	Q361 I363 V381	L335-Q361 HydrophobicContact CB-CB 4.24Å; L335-Q361 PolarHBondContact N-O 3.2Å; L335-I363 HydrophobicContact CD1-CD1 4.03Å; L335-I363 HydrophobicContact CD1-CG1 3.98Å; L335-I363 HydrophobicContact CD2-CD1 4.06Å; L335-I363 HydrophobicContact CD2-CG1 4.45Å; L335-I363 HydrophobicContact CG-CD1 4.37Å; L335-I363 HydrophobicContact CG-CG1 4.28Å; L335-V381 HydrophobicContact CD1-CB 4.44Å; L335-V381 HydrophobicContact CD1-CG1 3.84Å; L335-V381 HydrophobicContact CD1-CG2 3.75Å
336	D	90.7	Very high	88.4	Confident	27 Å²	27	56.3 Å²	56.3	14%	0.144	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	156.6	-175.5	-143.7	-20.5	0	0	0	113.7	Y168 H338 A360 Q361	Y168-D336 VanDerWaalsContact CB-OD1 3.3Å; Y168-D336 WeakPolarHBondContact CB-OD1 3.29Å; D336-H338 IonicContact OD1-CE1 3.03Å; D336-H338 IonicContact OD1-ND1 2.77Å; D336-H338 IonicContact OD1-NE2 2.78Å; D336-H338 IonicContact OD2-CE1 3.61Å; D336-H338 PolarHBondContact OD2-CE1 2.67Å; D336-H338 IonicContact OD2-ND1 2.83Å; D336-H338 IonicContact OD2-NE2 3.92Å; D336-H338 PolarHBondContact OD2-NE2 2.76Å; D336-A360 CarbonylContact O-C 3.56Å; D336-A360 VanDerWaalsContact O-CA 3.29Å; D336-A360 WeakPolarHBondContact O-CA 3.27Å; D336-Q361 HydrophobicContact CB-CB 4.4Å; D336-Q361 PolarHBondContact N-O 3.46Å; D336-Q361 PolarHBondContact O-N 2.78Å
337	V	90	Very high	88	Confident	4 Å²	4	53.8 Å²	53.8	2%	0.024	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	120.3	177.4	178.4	0	0	0	0	109.3	Y168 I289 L293 I334 V340 F358 Q359 A360	Y168-V337 HydrophobicContact CD2-CB 3.91Å; Y168-V337 HydrophobicContact CD2-CG2 3.53Å; Y168-V337 HydrophobicContact CE2-CB 4.49Å; Y168-V337 HydrophobicContact CE2-CG2 3.68Å; Y168-V337 HydrophobicContact CG-CG2 4.22Å; I289-V337 HydrophobicContact CG2-CG1 3.95Å; I289-V337 HydrophobicContact CG2-CG2 4.4Å; L293-V337 HydrophobicContact CD1-CG2 4.02Å; I334-V337 HydrophobicContact CG2-CG2 4.03Å; V337-V340 HydrophobicContact CG1-CG2 4.14Å; V337-F358 HydrophobicContact CG1-CD2 3.87Å; V337-F358 HydrophobicContact CG1-CE2 4.47Å; V337-F358 HydrophobicContact CG1-CG 4.45Å; V337-Q359 WeakPolarHBondContact CA-O 3.24Å; V337-A360 HydrophobicContact CG2-CB 4.35Å
338	H	86.5	Confident	87.5	Confident	81 Å²	81	54 Å²	54	38%	0.375	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	164.8	-174.8	-64.2	102.7	0	0	0	112.7	D336 V340 Q359	D336-H338 IonicContact OD1-CE1 3.03Å; D336-H338 IonicContact OD1-ND1 2.77Å; D336-H338 IonicContact OD1-NE2 2.78Å; D336-H338 IonicContact OD2-CE1 3.61Å; D336-H338 PolarHBondContact OD2-CE1 2.67Å; D336-H338 IonicContact OD2-ND1 2.83Å; D336-H338 IonicContact OD2-NE2 3.92Å; D336-H338 PolarHBondContact OD2-NE2 2.76Å; H338-V340 VanDerWaalsContact C-N 3.34Å; H338-V340 PolarHBondContact O-N 2.82Å; H338-Q359 PolarHBondContact N-O 3.48Å; H338-Q359 PolarHBondContact O-N 2.9Å
339	N	86.6	Confident	86.4	Confident	115 Å²	115	60.1 Å²	60.1	62%	0.615	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	56.3	42.4	170.7	-60.3	-25.2	0	0	0	113.7	D341 F358 Q359	N339-D341 PolarHBondContact O-N 3.28Å; N339-F358 WeakPolarHBondContact O-CA 3.2Å; N339-Q359 PolarHBondContact ND2-OE1 2.81Å
340	V	89.2	Confident	85.3	Confident	19 Å²	19	57.6 Å²	57.6	12%	0.115	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	113.7	173	-174.1	0	0	0	0	108.8	I281 C284 R285 I289 V337 H338 T357 F358	I281-V340 HydrophobicContact CG2-CB 4.33Å; I281-V340 HydrophobicContact CG2-CG1 4.16Å; I281-V340 WeakPolarHBondContact CG2-O 3.3Å; C284-V340 HydrophobicContact CB-CG1 4.28Å; R285-V340 HydrophobicContact CB-CG2 4.19Å; R285-V340 HydrophobicContact CG-CG2 4.3Å; I289-V340 HydrophobicContact CD1-CB 4.35Å; I289-V340 HydrophobicContact CD1-CG1 3.68Å; I289-V340 HydrophobicContact CD1-CG2 3.65Å; V337-V340 HydrophobicContact CG1-CG2 4.14Å; H338-V340 VanDerWaalsContact C-N 3.34Å; H338-V340 PolarHBondContact O-N 2.82Å; V340-T357 WeakPolarHBondContact CA-O 3.48Å; V340-F358 HydrophobicContact CB-CB 4.3Å; V340-F358 HydrophobicContact CG2-CB 3.78Å
341	D	87.5	Confident	85	Confident	86 Å²	86	55.3 Å²	55.3	46%	0.46	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	153.3	179.6	-168.1	23.4	0	0	0	111.4	N339 I356 T357	N339-D341 PolarHBondContact O-N 3.28Å; D341-I356 CarbonylContact O-C 3.43Å; D341-I356 WeakPolarHBondContact O-CA 3.17Å; D341-T357 PolarHBondContact N-O 3.18Å; D341-T357 PolarHBondContact O-N 3.22Å
342	V	88.9	Confident	85	Confident	12 Å²	12	51.8 Å²	51.8	7%	0.073	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	111.6	177.3	-177.4	0	0	0	0	108.3	L261 L277 F280 I281 L354 I356	L261-V342 HydrophobicContact CD1-CG1 3.94Å; L277-V342 HydrophobicContact CD1-CB 4.1Å; L277-V342 HydrophobicContact CD1-CG1 4.38Å; L277-V342 HydrophobicContact CD1-CG2 3.75Å; F280-V342 HydrophobicContact CD1-CG2 4.13Å; F280-V342 HydrophobicContact CE1-CG2 4.15Å; I281-V342 HydrophobicContact CD1-CG2 4.26Å; I281-V342 HydrophobicContact CG1-CG2 3.88Å; V342-L354 HydrophobicContact CG1-CB 4.42Å; V342-L354 HydrophobicContact CG1-CD2 4.25Å; V342-I356 HydrophobicContact CG2-CG2 4.06Å
343	Q	84.2	Confident	84.9	Confident	73 Å²	73	50.9 Å²	50.9	34%	0.341	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-39.5	-175	-74.2	-169.9	1.8	0	0	113.8	I355 T357	Q343-I355 PolarHBondContact N-O 2.78Å; Q343-T357 HydrophobicContact CG-CG2 3.79Å; Q343-T357 PolarHBondContact NE2-OG1 2.89Å
344	M	81.1	Confident	84.9	Confident	32 Å²	32	42.6 Å²	42.6	16%	0.158	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	141.1	-174.3	-175.7	169.6	67.6	0	0	110	F213 V220 I355	F213-M344 HydrophobicContact CE1-CE 3.89Å; F213-M344 HydrophobicContact CZ-CE 3.7Å; V220-M344 HydrophobicContact CG2-CE 3.95Å; M344-I355 HydrophobicContact CB-CD1 4.26Å; M344-I355 HydrophobicContact CE-CD1 3.35Å; M344-I355 PolarHBondContact O-N 2.98Å
345	G	85.7	Confident	84.8	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	145.7	163.7	0	0	0	0	0	109.2	V353	G345-V353 CarbonylContact C-O 3.56Å; G345-V353 VanDerWaalsContact CA-O 3.27Å; G345-V353 WeakPolarHBondContact CA-O 3.39Å
346	K	82.5	Confident	84.8	Confident	51 Å²	51	38.9 Å²	38.9	22%	0.222	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	135.4	166.4	-178.7	173.5	-173.7	-140.4	0	111.2	F213 M348 V353	F213-K346 HydrophobicContact CB-CD 4.34Å; F213-K346 HydrophobicContact CD1-CD 3.64Å; F213-K346 HydrophobicContact CD2-CD 3.39Å; F213-K346 HydrophobicContact CE1-CD 3.67Å; F213-K346 HydrophobicContact CE2-CD 3.4Å; F213-K346 HydrophobicContact CG-CD 3.48Å; F213-K346 VanDerWaalsContact CG-CD 3.48Å; F213-K346 HydrophobicContact CZ-CD 3.54Å; K346-M348 HydrophobicContact CD-SD 3.68Å; K346-M348 HydrophobicContact CG-SD 4Å; K346-M348 PolarHBondContact NZ-SD 3.48Å; K346-V353 PolarHBondContact N-O 3.17Å; K346-V353 PolarHBondContact O-N 3.18Å
347	M	80.9	Confident	84.8	Confident	50 Å²	50	38 Å²	38	25%	0.246	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	125.6	167.2	-70.4	-47	-47.8	0	0	111	V264 E267 P352	V264-M347 HydrophobicContact CB-SD 3.98Å; V264-M347 HydrophobicContact CG1-SD 4.11Å; V264-M347 HydrophobicContact CG2-CB 4.42Å; V264-M347 HydrophobicContact CG2-CG 3.6Å; V264-M347 HydrophobicContact CG2-SD 3.56Å; V264-M347 VanDerWaalsContact CG2-SD 3.56Å; E267-M347 HydrophobicContact CB-CE 4.38Å; E267-M347 HydrophobicContact CB-SD 4.01Å; E267-M347 VanDerWaalsContact CD-CE 3.43Å; E267-M347 HydrophobicContact CG-CE 4.49Å; E267-M347 HydrophobicContact CG-SD 4.19Å; E267-M347 WeakPolarHBondContact OE2-CE 3.23Å; M347-P352 HydrophobicContact CE-CB 4Å; M347-P352 HydrophobicContact SD-CB 3.75Å
348	M	79.6	Confident	84.9	Confident	21 Å²	21	38 Å²	38	10%	0.103	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	154.7	170.6	-56.9	-61.9	-70.1	0	0	108.7	A209 K346 Q350 G351 V353	A209-M348 HydrophobicContact CB-CE 3.28Å; A209-M348 WeakPolarHBondContact O-CE 3.31Å; K346-M348 HydrophobicContact CD-SD 3.68Å; K346-M348 HydrophobicContact CG-SD 4Å; K346-M348 PolarHBondContact NZ-SD 3.48Å; M348-Q350 PolarHBondContact O-N 3.23Å; M348-G351 WeakPolarHBondContact CB-O 3.41Å; M348-G351 PolarHBondContact N-O 2.78Å; M348-G351 VanDerWaalsContact N-O 3.11Å; M348-G351 PolarHBondContact O-N 3.34Å; M348-G351 VanDerWaalsContact O-N 3.08Å; M348-V353 HydrophobicContact CB-CG2 4.44Å; M348-V353 HydrophobicContact CG-CG2 3.53Å
349	E	67.8	Low	85.1	Confident	186 Å²	186	36.2 Å²	36.2	87%	0.869	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-26.6	178.3	-65.9	-176.8	166	0	0	112.7
350	Q	66	Low	85.3	Confident	40 Å²	40	30.8 Å²	30.8	19%	0.187	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-11.8	-176.3	-52.4	79.8	10.3	0	0	114.2	W206 M348 Q394	W206-Q350 HydrophobicContact CD2-CB 4.43Å; W206-Q350 HydrophobicContact CG-CB 4.31Å; W206-Q350 HydrophobicContact CZ2-CB 4.21Å; M348-Q350 PolarHBondContact O-N 3.23Å; Q350-Q394 VanDerWaalsContact C-NE2 3.28Å; Q350-Q394 PolarHBondContact O-NE2 3.23Å
351	G	81	Confident	85.4	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.7	166.5	178.2	0	0	0	0	0	115.3	M348 Q394	M348-G351 WeakPolarHBondContact CB-O 3.41Å; M348-G351 PolarHBondContact N-O 2.78Å; M348-G351 VanDerWaalsContact N-O 3.11Å; M348-G351 PolarHBondContact O-N 3.34Å; M348-G351 VanDerWaalsContact O-N 3.08Å; G351-Q394 VanDerWaalsContact CA-NE2 3.33Å
352	P	89.2	Confident	85.6	Confident	10 Å²	10	29.1 Å²	29.1	7%	0.065	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	130.4	174.6	28	-30.6	0	0	0	111.1	V264 I268 M347 R392	V264-P352 HydrophobicContact CG1-CB 3.7Å; I268-P352 HydrophobicContact CD1-CB 4.09Å; I268-P352 HydrophobicContact CD1-CG 4.37Å; I268-P352 HydrophobicContact CG1-CB 3.75Å; I268-P352 HydrophobicContact CG1-CG 3.65Å; M347-P352 HydrophobicContact CE-CB 4Å; M347-P352 HydrophobicContact SD-CB 3.75Å; P352-R392 HydrophobicContact CG-CB 4.09Å; P352-R392 PolarHBondContact O-N 2.94Å
353	V	89.9	Confident	85.8	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.4	175.9	-177.1	0	0	0	0	109.5	W210 G345 K346 M348 A389 L390 C391 L406	W210-V353 HydrophobicContact CE3-CG1 4.39Å; W210-V353 HydrophobicContact CH2-CG1 4.43Å; W210-V353 HydrophobicContact CZ3-CG1 3.85Å; G345-V353 CarbonylContact C-O 3.56Å; G345-V353 VanDerWaalsContact CA-O 3.27Å; G345-V353 WeakPolarHBondContact CA-O 3.39Å; K346-V353 PolarHBondContact N-O 3.17Å; K346-V353 PolarHBondContact O-N 3.18Å; M348-V353 HydrophobicContact CB-CG2 4.44Å; M348-V353 HydrophobicContact CG-CG2 3.53Å; V353-A389 HydrophobicContact CG1-CB 4.13Å; V353-L390 CarbonylContact C-O 3.52Å; V353-L390 WeakPolarHBondContact CA-O 3.41Å; V353-C391 HydrophobicContact CG2-CB 3.93Å; V353-L406 HydrophobicContact CG2-CD2 4.26Å
354	L	92	Very high	86.1	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.5	171.6	-64.8	-179.8	0	0	0	109.9	V264 I268 F275 F280 V342 L390 W403	V264-L354 HydrophobicContact CG1-CD2 3.77Å; I268-L354 HydrophobicContact CD1-CD1 3.96Å; I268-L354 HydrophobicContact CD1-CD2 4.21Å; I268-L354 HydrophobicContact CD1-CG 4.14Å; F275-L354 HydrophobicContact CZ-CD1 4.15Å; F280-L354 HydrophobicContact CD1-CD1 4.05Å; F280-L354 HydrophobicContact CE1-CB 4.41Å; F280-L354 HydrophobicContact CE1-CD1 3.59Å; F280-L354 HydrophobicContact CZ-CD1 3.88Å; V342-L354 HydrophobicContact CG1-CB 4.42Å; V342-L354 HydrophobicContact CG1-CD2 4.25Å; L354-L390 PolarHBondContact N-O 3.46Å; L354-L390 PolarHBondContact O-N 3.39Å; L354-W403 HydrophobicContact CD1-CH2 3.62Å; L354-W403 HydrophobicContact CD1-CZ3 3.94Å; L354-W403 HydrophobicContact CG-CH2 4.26Å; L354-W403 HydrophobicContact CG-CZ3 4.22Å
355	I	90.7	Very high	86.6	Confident	7 Å²	7	28 Å²	28	4%	0.036	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	116	175.9	-55	178.5	0	0	0	108.4	W210 Q343 M344 V387 W388	W210-I355 HydrophobicContact CH2-CD1 3.66Å; W210-I355 HydrophobicContact CH2-CG1 3.96Å; W210-I355 HydrophobicContact CZ3-CD1 4.39Å; Q343-I355 PolarHBondContact N-O 2.78Å; M344-I355 HydrophobicContact CB-CD1 4.26Å; M344-I355 HydrophobicContact CE-CD1 3.35Å; M344-I355 PolarHBondContact O-N 2.98Å; I355-V387 HydrophobicContact CG2-CG1 3.51Å; I355-W388 WeakPolarHBondContact CA-O 3.47Å
356	I	91.5	Very high	86.8	Confident	1 Å²	1	29 Å²	29	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	146.3	175.7	65	167	0	0	0	110.4	F280 C284 I289 D341 V342 F358 V387 W388 L390	F280-I356 HydrophobicContact CE1-CG2 4.15Å; C284-I356 HydrophobicContact CB-CD1 4.5Å; I289-I356 HydrophobicContact CD1-CD1 4.18Å; I289-I356 HydrophobicContact CG1-CD1 4.23Å; D341-I356 CarbonylContact O-C 3.43Å; D341-I356 WeakPolarHBondContact O-CA 3.17Å; V342-I356 HydrophobicContact CG2-CG2 4.06Å; I356-F358 HydrophobicContact CD1-CD1 4.39Å; I356-F358 HydrophobicContact CD1-CE1 4.41Å; I356-V387 WeakPolarHBondContact O-CA 3.45Å; I356-W388 HydrophobicContact CD1-CB 4.2Å; I356-W388 HydrophobicContact CD1-CE3 4.14Å; I356-W388 HydrophobicContact CG1-CB 3.75Å; I356-W388 PolarHBondContact N-O 3.44Å; I356-W388 PolarHBondContact O-N 2.8Å; I356-L390 HydrophobicContact CD1-CD1 3.71Å; I356-L390 HydrophobicContact CD1-CG 4.27Å; I356-L390 HydrophobicContact CG1-CD1 4.2Å; I356-L390 HydrophobicContact CG1-CG 4.4Å; I356-L390 HydrophobicContact CG2-CD1 4.21Å
357	T	90.8	Very high	87.3	Confident	10 Å²	10	29.2 Å²	29.2	6%	0.061	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	142.4	171.6	64.5	0	0	0	0	110.4	V340 D341 Q343 N386 V387	V340-T357 WeakPolarHBondContact CA-O 3.48Å; D341-T357 PolarHBondContact N-O 3.18Å; D341-T357 PolarHBondContact O-N 3.22Å; Q343-T357 HydrophobicContact CG-CG2 3.79Å; Q343-T357 PolarHBondContact NE2-OG1 2.89Å; T357-N386 VanDerWaalsContact CA-O 3.28Å; T357-N386 WeakPolarHBondContact CA-O 3.29Å; T357-V387 HydrophobicContact CG2-CB 4.19Å; T357-V387 HydrophobicContact CG2-CG1 3.89Å; T357-V387 HydrophobicContact CG2-CG2 3.74Å
358	F	91.4	Very high	87.7	Confident	3 Å²	3	28.9 Å²	28.9	1%	0.013	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	164.5	176.2	63.5	-90.3	0	0	0	110.4	I289 L293 V337 N339 V340 I356 A360 N386 W388	I289-F358 HydrophobicContact CD1-CD1 3.65Å; I289-F358 HydrophobicContact CD1-CE1 3.92Å; I289-F358 HydrophobicContact CD1-CG 4.01Å; I289-F358 HydrophobicContact CD1-CZ 4.49Å; I289-F358 HydrophobicContact CG1-CD1 4.17Å; I289-F358 HydrophobicContact CG1-CE1 3.9Å; I289-F358 HydrophobicContact CG1-CZ 4.27Å; I289-F358 HydrophobicContact CG2-CD2 4.2Å; I289-F358 HydrophobicContact CG2-CE1 4.14Å; I289-F358 HydrophobicContact CG2-CE2 3.7Å; I289-F358 HydrophobicContact CG2-CZ 3.65Å; L293-F358 HydrophobicContact CD1-CE2 3.88Å; L293-F358 HydrophobicContact CD1-CZ 4.27Å; L293-F358 HydrophobicContact CD2-CZ 4.46Å; V337-F358 HydrophobicContact CG1-CD2 3.87Å; V337-F358 HydrophobicContact CG1-CE2 4.47Å; V337-F358 HydrophobicContact CG1-CG 4.45Å; N339-F358 WeakPolarHBondContact O-CA 3.2Å; V340-F358 HydrophobicContact CB-CB 4.3Å; V340-F358 HydrophobicContact CG2-CB 3.78Å; I356-F358 HydrophobicContact CD1-CD1 4.39Å; I356-F358 HydrophobicContact CD1-CE1 4.41Å; F358-A360 HydrophobicContact CD2-CB 4.46Å; F358-A360 HydrophobicContact CE2-CB 4.21Å; F358-N386 HydrophobicContact CD1-CB 4.02Å; F358-N386 HydrophobicContact CD2-CB 3.87Å; F358-N386 HydrophobicContact CE1-CB 3.6Å; F358-N386 HydrophobicContact CE2-CB 3.42Å; F358-N386 VanDerWaalsContact CE2-CB 3.42Å; F358-N386 VanDerWaalsContact CE2-CG 3.48Å; F358-N386 WeakPolarHBondContact CE2-ND2 3.26Å; F358-N386 HydrophobicContact CG-CB 4.14Å; F358-N386 HydrophobicContact CZ-CB 3.28Å; F358-N386 PolarHBondContact N-O 2.81Å; F358-N386 PolarHBondContact O-N 3.38Å; F358-W388 AromaticContact CE1-CD2 3.59Å; F358-W388 HydrophobicContact CE1-CD2 3.59Å; F358-W388 AromaticContact CE1-CE2 3.62Å; F358-W388 AromaticContact CE1-CE3 3.96Å; F358-W388 HydrophobicContact CE1-CE3 3.96Å; F358-W388 AromaticContact CE1-CG 3.99Å; F358-W388 HydrophobicContact CE1-CG 3.99Å; F358-W388 HydrophobicContact CE1-CH2 4.35Å; F358-W388 HydrophobicContact CE1-CZ2 4.05Å; F358-W388 HydrophobicContact CE1-CZ3 4.32Å; F358-W388 AromaticContact CE1-NE1 3.91Å; F358-W388 AromaticContact CZ-CD2 3.95Å; F358-W388 HydrophobicContact CZ-CD2 3.95Å; F358-W388 AromaticContact CZ-CE2 3.46Å; F358-W388 VanDerWaalsContact CZ-CE2 3.46Å; F358-W388 HydrophobicContact CZ-CE3 4.37Å; F358-W388 AromaticContact CZ-CH2 3.96Å; F358-W388 HydrophobicContact CZ-CH2 3.96Å; F358-W388 AromaticContact CZ-CZ2 3.51Å; F358-W388 HydrophobicContact CZ-CZ2 3.51Å; F358-W388 HydrophobicContact CZ-CZ3 4.37Å; F358-W388 AromaticContact CZ-NE1 3.78Å
359	Q	90.8	Very high	88.1	Confident	44 Å²	44	34.6 Å²	34.6	21%	0.206	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	125.8	176.7	-69	-177.7	-34.6	0	0	109.3	V337 H338 N339 V384	V337-Q359 WeakPolarHBondContact CA-O 3.24Å; H338-Q359 PolarHBondContact N-O 3.48Å; H338-Q359 PolarHBondContact O-N 2.9Å; N339-Q359 PolarHBondContact ND2-OE1 2.81Å; Q359-V384 WeakPolarHBondContact CA-O 3.34Å
360	A	91.3	Very high	89.1	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	135.5	175.1	0	0	0	0	0	109.9	L293 D336 V337 F358 V384	L293-A360 HydrophobicContact CD1-CB 4.31Å; D336-A360 CarbonylContact O-C 3.56Å; D336-A360 VanDerWaalsContact O-CA 3.29Å; D336-A360 WeakPolarHBondContact O-CA 3.27Å; V337-A360 HydrophobicContact CG2-CB 4.35Å; F358-A360 HydrophobicContact CD2-CB 4.46Å; F358-A360 HydrophobicContact CE2-CB 4.21Å; A360-V384 PolarHBondContact N-O 3.38Å; A360-V384 PolarHBondContact O-N 2.87Å
361	Q	91.7	Very high	90.1	Very high	56 Å²	56	31.5 Å²	31.5	26%	0.262	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	124.6	166.7	-70.6	-178.2	-18.8	0	0	108.1	L335 D336 V381 L382	L335-Q361 HydrophobicContact CB-CB 4.24Å; L335-Q361 PolarHBondContact N-O 3.2Å; D336-Q361 HydrophobicContact CB-CB 4.4Å; D336-Q361 PolarHBondContact N-O 3.46Å; D336-Q361 PolarHBondContact O-N 2.78Å; Q361-V381 HydrophobicContact CB-CG1 4.14Å; Q361-L382 WeakPolarHBondContact CA-O 3.42Å
362	Q	91	Very high	90.5	Very high	15 Å²	15	36.6 Å²	36.6	7%	0.07	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	154.6	-178.8	67	-176.5	24.9	0	0	111.6	R333 I334 N364 L382 V384	R333-Q362 CarbonylContact O-C 3.5Å; R333-Q362 VanDerWaalsContact O-CA 3.28Å; R333-Q362 WeakPolarHBondContact O-CA 3.48Å; R333-Q362 WeakPolarHBondContact O-CB 3.25Å; I334-Q362 HydrophobicContact CG1-CB 4.48Å; Q362-N364 PolarHBondContact NE2-OD1 3.3Å; Q362-N364 VanDerWaalsContact NE2-OD1 3.11Å; Q362-L382 PolarHBondContact N-O 2.84Å; Q362-L382 PolarHBondContact O-N 2.92Å; Q362-V384 HydrophobicContact CG-CG2 3.88Å
363	I	92	Very high	90.5	Very high	33 Å²	33	40 Å²	40	17%	0.169	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.4	170.1	-60	174	0	0	0	106.4	S332 R333 L335 V381	S332-I363 CarbonylContact C-O 3.57Å; S332-I363 WeakPolarHBondContact CA-O 3.44Å; S332-I363 WeakPolarHBondContact CB-O 3.27Å; R333-I363 PolarHBondContact N-O 3.44Å; R333-I363 PolarHBondContact O-N 3.39Å; L335-I363 HydrophobicContact CD1-CD1 4.03Å; L335-I363 HydrophobicContact CD1-CG1 3.98Å; L335-I363 HydrophobicContact CD2-CD1 4.06Å; L335-I363 HydrophobicContact CD2-CG1 4.45Å; L335-I363 HydrophobicContact CG-CD1 4.37Å; L335-I363 HydrophobicContact CG-CG1 4.28Å; I363-V381 HydrophobicContact CG1-CG2 4.28Å
364	N	90.4	Very high	90.4	Very high	57 Å²	57	45 Å²	45	31%	0.305	23%	0.23	S	C	.	.			trans	-101.4	120.5	176.3	-72.7	2.7	0	0	0	109	S332 Q362 G376 D377 L382	S332-N364 WeakPolarHBondContact OG-CA 3.4Å; Q362-N364 PolarHBondContact NE2-OD1 3.3Å; Q362-N364 VanDerWaalsContact NE2-OD1 3.11Å; N364-G376 WeakPolarHBondContact O-CA 3.37Å; N364-D377 PolarHBondContact O-N 3.2Å; N364-L382 HydrophobicContact CB-CD1 4.18Å
365	C	91.4	Very high	90.2	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.02	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	121.1	-179.1	-179.3	0	0	0	0	109.6	E331 S332 L373	E331-C365 CarbonylContact C-O 3.54Å; E331-C365 WeakPolarHBondContact CA-O 3.47Å; E331-C365 HydrophobicContact CB-CB 4.41Å; E331-C365 PolarHBondContact N-O 2.95Å; S332-C365 PolarHBondContact N-O 3.09Å; S332-C365 PolarHBondContact OG-N 3.47Å; S332-C365 PolarHBondContact OG-O 3.38Å; C365-L373 VanDerWaalsContact SG-CD1 3.54Å
366	I	91.5	Very high	90	Very high	20 Å²	20	52.3 Å²	52.3	10%	0.103	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.2	175.8	-60.5	163.7	0	0	0	107.9	M323 Y328 H374 E375	M323-I366 HydrophobicContact SD-CD1 3.56Å; M323-I366 VanDerWaalsContact SD-CD1 3.56Å; M323-I366 HydrophobicContact SD-CG1 4.26Å; Y328-I366 HydrophobicContact CD2-CG2 4.46Å; Y328-I366 HydrophobicContact CG-CG2 4.16Å; I366-H374 PolarHBondContact O-N 2.65Å; I366-E375 HydrophobicContact CB-CB 4.22Å; I366-E375 HydrophobicContact CD1-CB 4.28Å; I366-E375 PolarHBondContact N-O 2.88Å; I366-E375 PolarHBondContact O-N 3.07Å
367	R	92.1	Very high	89.8	Confident	57 Å²	57	55.7 Å²	55.7	22%	0.215	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	149.3	177.4	-66.1	-172.1	-174.2	-76.9	-10.8	111.4	Y328 I329 E331 G371 N372	Y328-R367 WeakPolarHBondContact CA-O 3.39Å; I329-R367 PolarHBondContact N-O 3.48Å; I329-R367 PolarHBondContact O-N 2.78Å; E331-R367 VanDerWaalsContact CD-CD 3.5Å; E331-R367 VanDerWaalsContact CD-NE 3.3Å; E331-R367 IonicContact OE1-NE 3.54Å; E331-R367 WeakPolarHBondContact OE2-CD 3.42Å; E331-R367 IonicContact OE2-CZ 3.63Å; E331-R367 IonicContact OE2-NE 2.71Å; E331-R367 PolarHBondContact OE2-NE 2.93Å; E331-R367 IonicContact OE2-NH2 3.66Å; R367-G371 WeakPolarHBondContact CD-O 3.49Å; R367-G371 PolarHBondContact NH1-O 3.46Å; R367-N372 CarbonylContact C-O 3.6Å; R367-N372 VanDerWaalsContact CA-O 3.3Å; R367-N372 WeakPolarHBondContact CA-O 3.42Å
368	D	90.4	Very high	89.7	Confident	43 Å²	43	57.4 Å²	57.4	23%	0.23	31%	0.305	C	S	.	.			trans	-72.8	167	166.5	-172.7	27.1	0	0	0	111.4	Y328 N370 G371 N372	Y328-D368 HydrophobicContact CD1-CB 4.39Å; Y328-D368 HydrophobicContact CE1-CB 4.37Å; D368-N370 PolarHBondContact O-N 3.43Å; D368-N370 PolarHBondContact OD2-ND2 3.42Å; D368-G371 PolarHBondContact O-N 3.21Å; D368-N372 PolarHBondContact N-O 3.22Å
369	K	88.2	Confident	89.6	Confident	140 Å²	140	64 Å²	64	61%	0.609	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-28.2	174.9	-63.5	179.4	-176.3	168	0	112.9	L326 G327 G371	L326-K369 WeakPolarHBondContact O-CE 3.38Å; G327-K369 VanDerWaalsContact CA-CE 3.42Å; G327-K369 VanDerWaalsContact O-CE 3.29Å; G327-K369 WeakPolarHBondContact O-CE 3.3Å; G327-K369 WeakPolarHBondContact O-CG 3.21Å; K369-G371 VanDerWaalsContact C-N 3.27Å; K369-G371 PolarHBondContact O-N 3.1Å
370	N	88.1	Confident	89.5	Confident	125 Å²	125	65.2 Å²	65.2	67%	0.668	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-3.9	178.3	-59.4	-51.9	0	0	0	113.6	D368 N372	D368-N370 PolarHBondContact O-N 3.43Å; D368-N370 PolarHBondContact OD2-ND2 3.42Å; N370-N372 VanDerWaalsContact C-N 3.28Å; N370-N372 PolarHBondContact O-N 2.97Å
371	G	86	Confident	89.4	Confident	37 Å²	37	66.9 Å²	66.9	38%	0.381	36%	0.356	S	S	.	.	S	Bend	trans	82.4	-1	-176.2	0	0	0	0	0	114.7	R367 D368 K369	R367-G371 WeakPolarHBondContact CD-O 3.49Å; R367-G371 PolarHBondContact NH1-O 3.46Å; D368-G371 PolarHBondContact O-N 3.21Å; K369-G371 VanDerWaalsContact C-N 3.27Å; K369-G371 PolarHBondContact O-N 3.1Å
372	N	90	Very high	89.3	Confident	108 Å²	108	65.5 Å²	65.5	58%	0.578	35%	0.35	S	S	*	.			trans	-70.9	138.8	175.4	-66.2	-30.4	0	0	0	110.4	R367 D368 N370 H374	R367-N372 CarbonylContact C-O 3.6Å; R367-N372 VanDerWaalsContact CA-O 3.3Å; R367-N372 WeakPolarHBondContact CA-O 3.42Å; D368-N372 PolarHBondContact N-O 3.22Å; N370-N372 VanDerWaalsContact C-N 3.28Å; N370-N372 PolarHBondContact O-N 2.97Å; N372-H374 PolarHBondContact O-N 3.44Å
373	L	89.7	Confident	89.2	Confident	82 Å²	82	69.1 Å²	69.1	43%	0.429	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	116.8	174.5	-177.7	65.6	0	0	0	108.8	C365 G376	C365-L373 VanDerWaalsContact SG-CD1 3.54Å; L373-G376 WeakPolarHBondContact CD2-O 3.35Å
374	H	88.5	Confident	89.1	Confident	103 Å²	103	67.6 Å²	67.6	48%	0.477	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-48	176	-179.2	61.5	0	0	0	110.5	Y328 I366 N372	Y328-H374 AromaticContact CE2-CD2 3.64Å; Y328-H374 AromaticContact CE2-NE2 3.59Å; Y328-H374 AromaticContact CZ-CD2 3.67Å; Y328-H374 AromaticContact CZ-CE1 3.83Å; Y328-H374 AromaticContact CZ-CG 3.98Å; Y328-H374 AromaticContact CZ-NE2 3.57Å; Y328-H374 PolarHBondContact OH-CE1 2.93Å; Y328-H374 PolarHBondContact OH-NE2 3.33Å; I366-H374 PolarHBondContact O-N 2.65Å; N372-H374 PolarHBondContact O-N 3.44Å
375	E	86	Confident	89	Confident	120 Å²	120	65 Å²	65	56%	0.561	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.2	144.8	-176.2	-170.5	-178.4	167.7	0	0	111.2	I366	I366-E375 HydrophobicContact CB-CB 4.22Å; I366-E375 HydrophobicContact CD1-CB 4.28Å; I366-E375 PolarHBondContact N-O 2.88Å; I366-E375 PolarHBondContact O-N 3.07Å
376	G	87.1	Confident	89	Confident	42 Å²	42	64.9 Å²	64.9	43%	0.433	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	92.1	-173.8	178.2	0	0	0	0	0	114.1	N364 L373	N364-G376 WeakPolarHBondContact O-CA 3.37Å; L373-G376 WeakPolarHBondContact CD2-O 3.35Å
377	D	88.6	Confident	89	Confident	71 Å²	71	64.4 Å²	64.4	38%	0.38	34%	0.338	S	S	.	.			trans	-140.1	117.4	175.7	-179	-8.1	0	0	0	108.5	N364 N379 K380	N364-D377 PolarHBondContact O-N 3.2Å; D377-N379 PolarHBondContact O-N 3.36Å; D377-N379 VanDerWaalsContact O-N 3.16Å; D377-N379 PolarHBondContact OD1-N 2.87Å; D377-K380 HydrophobicContact CB-CB 3.78Å; D377-K380 PolarHBondContact O-N 3.44Å
378	P	88.5	Confident	89	Confident	47 Å²	47	61.7 Å²	61.7	31%	0.305	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-16.9	-178.5	27.8	-36.4	0	0	0	113.8
379	N	88.1	Confident	89	Confident	142 Å²	142	59.8 Å²	59.8	76%	0.759	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-7.6	-179.9	-58.3	-51.9	0	0	0	112.9	D377	D377-N379 PolarHBondContact O-N 3.36Å; D377-N379 VanDerWaalsContact O-N 3.16Å; D377-N379 PolarHBondContact OD1-N 2.87Å
380	K	88.8	Confident	89.2	Confident	69 Å²	69	53.2 Å²	53.2	30%	0.3	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-98	120	-175.7	-166.6	174.6	-172.6	174	0	110.8	D377 L382 E414	D377-K380 HydrophobicContact CB-CB 3.78Å; D377-K380 PolarHBondContact O-N 3.44Å; K380-L382 HydrophobicContact CD-CD2 4.39Å; K380-L382 HydrophobicContact CG-CD2 4.38Å; K380-E414 IonicContact NZ-OE1 3.38Å; K380-E414 PolarHBondContact NZ-OE1 2.68Å; K380-E414 IonicContact NZ-OE2 3.58Å; K380-E414 PolarHBondContact NZ-OE2 3.33Å
381	V	90.3	Very high	89.2	Confident	35 Å²	35	47.3 Å²	47.3	21%	0.212	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-89.2	123.8	174.1	-177.1	0	0	0	0	109.3	L335 Q361 I363	L335-V381 HydrophobicContact CD1-CB 4.44Å; L335-V381 HydrophobicContact CD1-CG1 3.84Å; L335-V381 HydrophobicContact CD1-CG2 3.75Å; Q361-V381 HydrophobicContact CB-CG1 4.14Å; I363-V381 HydrophobicContact CG1-CG2 4.28Å
382	L	89	Confident	89.3	Confident	27 Å²	27	46.4 Å²	46.4	14%	0.141	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	136.6	175.7	-59.7	176.6	0	0	0	109.5	Q361 Q362 N364 K380 E414	Q361-L382 WeakPolarHBondContact CA-O 3.42Å; Q362-L382 PolarHBondContact N-O 2.84Å; Q362-L382 PolarHBondContact O-N 2.92Å; N364-L382 HydrophobicContact CB-CD1 4.18Å; K380-L382 HydrophobicContact CD-CD2 4.39Å; K380-L382 HydrophobicContact CG-CD2 4.38Å; L382-E414 HydrophobicContact CD2-CG 4.47Å
383	R	89.8	Confident	88.9	Confident	90 Å²	90	42.4 Å²	42.4	34%	0.34	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	113.5	170.3	-177.6	178.6	65.6	172.1	-0.7	108.8	S413	R383-S413 PolarHBondContact N-O 3.29Å; R383-S413 PolarHBondContact NE-OG 2.78Å; R383-S413 PolarHBondContact O-N 3.17Å; R383-S413 VanDerWaalsContact O-O 3.13Å; R383-S413 PolarHBondContact O-OG 2.91Å
384	V	88.1	Confident	88.3	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.012	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	116.2	-178.7	-173.7	0	0	0	0	109.8	Q359 A360 Q362 N386 M410 M411 P412	Q359-V384 WeakPolarHBondContact CA-O 3.34Å; A360-V384 PolarHBondContact N-O 3.38Å; A360-V384 PolarHBondContact O-N 2.87Å; Q362-V384 HydrophobicContact CG-CG2 3.88Å; V384-N386 PolarHBondContact O-ND2 3.25Å; V384-M410 HydrophobicContact CG1-CB 3.94Å; V384-M410 HydrophobicContact CG1-CE 4.29Å; V384-M411 WeakPolarHBondContact CA-O 3.47Å; V384-P412 HydrophobicContact CG2-CB 4.28Å
385	T	90.2	Very high	87.7	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.018	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	117.8	169.3	-63.6	0	0	0	0	107.9	E231 M411	E231-T385 PolarHBondContact OE1-OG1 3.44Å; E231-T385 WeakPolarHBondContact OE2-CB 3.26Å; E231-T385 PolarHBondContact OE2-OG1 3.13Å; T385-M411 HydrophobicContact CG2-CE 4.1Å; T385-M411 PolarHBondContact N-O 3.29Å; T385-M411 PolarHBondContact O-N 2.78Å
386	N	90.2	Very high	87.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	135.8	-177.4	-71.8	-89.5	0	0	0	109.9	T357 F358 V384 A409 M410	T357-N386 VanDerWaalsContact CA-O 3.28Å; T357-N386 WeakPolarHBondContact CA-O 3.29Å; F358-N386 HydrophobicContact CD1-CB 4.02Å; F358-N386 HydrophobicContact CD2-CB 3.87Å; F358-N386 HydrophobicContact CE1-CB 3.6Å; F358-N386 HydrophobicContact CE2-CB 3.42Å; F358-N386 VanDerWaalsContact CE2-CB 3.42Å; F358-N386 VanDerWaalsContact CE2-CG 3.48Å; F358-N386 WeakPolarHBondContact CE2-ND2 3.26Å; F358-N386 HydrophobicContact CG-CB 4.14Å; F358-N386 HydrophobicContact CZ-CB 3.28Å; F358-N386 PolarHBondContact N-O 2.81Å; F358-N386 PolarHBondContact O-N 3.38Å; V384-N386 PolarHBondContact O-ND2 3.25Å; N386-A409 WeakPolarHBondContact CA-O 3.43Å; N386-M410 WeakPolarHBondContact OD1-CE 3.33Å; N386-M410 WeakPolarHBondContact OD1-CG 3.35Å
387	V	91.2	Very high	86.8	Confident	9 Å²	9	46.1 Å²	46.1	6%	0.055	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	116	169.1	-175.5	0	0	0	0	108.8	F224 I355 I356 T357 A409	F224-V387 HydrophobicContact CE1-CB 4.26Å; F224-V387 HydrophobicContact CE1-CG1 3.8Å; F224-V387 HydrophobicContact CE1-CG2 4.16Å; F224-V387 HydrophobicContact CZ-CG1 4.14Å; I355-V387 HydrophobicContact CG2-CG1 3.51Å; I356-V387 WeakPolarHBondContact O-CA 3.45Å; T357-V387 HydrophobicContact CG2-CB 4.19Å; T357-V387 HydrophobicContact CG2-CG1 3.89Å; T357-V387 HydrophobicContact CG2-CG2 3.74Å; V387-A409 HydrophobicContact CB-CB 4.4Å; V387-A409 PolarHBondContact N-O 3.31Å; V387-A409 PolarHBondContact O-N 3.17Å
388	W	92.6	Very high	86.3	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	135.4	-178.9	-62.2	-0.9	0	0	0	110.1	I289 V292 L293 I355 I356 F358 D407 I408	I289-W388 HydrophobicContact CB-CH2 4.42Å; I289-W388 HydrophobicContact CB-CZ3 4.24Å; I289-W388 HydrophobicContact CG1-CE3 4.31Å; I289-W388 HydrophobicContact CG1-CH2 4.44Å; I289-W388 HydrophobicContact CG1-CZ3 3.89Å; I289-W388 HydrophobicContact CG2-CH2 4.26Å; V292-W388 HydrophobicContact CB-CH2 3.61Å; V292-W388 HydrophobicContact CB-CZ3 3.87Å; V292-W388 HydrophobicContact CG1-CH2 3.58Å; V292-W388 HydrophobicContact CG1-CZ2 4.11Å; V292-W388 HydrophobicContact CG1-CZ3 4Å; V292-W388 HydrophobicContact CG2-CZ3 4.42Å; L293-W388 HydrophobicContact CD2-CH2 4.16Å; L293-W388 HydrophobicContact CD2-CZ2 3.63Å; L293-W388 HydrophobicContact CG-CH2 3.87Å; L293-W388 HydrophobicContact CG-CZ2 3.86Å; I355-W388 WeakPolarHBondContact CA-O 3.47Å; I356-W388 HydrophobicContact CD1-CB 4.2Å; I356-W388 HydrophobicContact CD1-CE3 4.14Å; I356-W388 HydrophobicContact CG1-CB 3.75Å; I356-W388 PolarHBondContact N-O 3.44Å; I356-W388 PolarHBondContact O-N 2.8Å; F358-W388 AromaticContact CE1-CD2 3.59Å; F358-W388 HydrophobicContact CE1-CD2 3.59Å; F358-W388 AromaticContact CE1-CE2 3.62Å; F358-W388 AromaticContact CE1-CE3 3.96Å; F358-W388 HydrophobicContact CE1-CE3 3.96Å; F358-W388 AromaticContact CE1-CG 3.99Å; F358-W388 HydrophobicContact CE1-CG 3.99Å; F358-W388 HydrophobicContact CE1-CH2 4.35Å; F358-W388 HydrophobicContact CE1-CZ2 4.05Å; F358-W388 HydrophobicContact CE1-CZ3 4.32Å; F358-W388 AromaticContact CE1-NE1 3.91Å; F358-W388 AromaticContact CZ-CD2 3.95Å; F358-W388 HydrophobicContact CZ-CD2 3.95Å; F358-W388 AromaticContact CZ-CE2 3.46Å; F358-W388 VanDerWaalsContact CZ-CE2 3.46Å; F358-W388 HydrophobicContact CZ-CE3 4.37Å; F358-W388 AromaticContact CZ-CH2 3.96Å; F358-W388 HydrophobicContact CZ-CH2 3.96Å; F358-W388 AromaticContact CZ-CZ2 3.51Å; F358-W388 HydrophobicContact CZ-CZ2 3.51Å; F358-W388 HydrophobicContact CZ-CZ3 4.37Å; F358-W388 AromaticContact CZ-NE1 3.78Å; W388-D407 WeakPolarHBondContact CA-O 3.34Å; W388-I408 HydrophobicContact CD2-CG1 4.48Å; W388-I408 HydrophobicContact CG-CG1 4.23Å
389	A	90.5	Very high	85.8	Confident	4 Å²	4	43.5 Å²	43.5	3%	0.033	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	113.4	168.5	0	0	0	0	0	108.4	W210 V353 L406 D407	W210-A389 HydrophobicContact CH2-CB 3.7Å; W210-A389 HydrophobicContact CZ2-CB 3.6Å; W210-A389 HydrophobicContact CZ3-CB 4.34Å; V353-A389 HydrophobicContact CG1-CB 4.13Å; A389-L406 HydrophobicContact CB-CB 4.28Å; A389-L406 PolarHBondContact O-N 3.38Å; A389-D407 HydrophobicContact CB-CB 4.17Å; A389-D407 PolarHBondContact N-O 2.91Å
390	L	92	Very high	85.5	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	128.5	174.3	-64	178.1	0	0	0	108.7	F280 V288 V353 L354 I356 W403 R404 V405	F280-L390 HydrophobicContact CZ-CD1 3.75Å; V288-L390 HydrophobicContact CG1-CD2 4.36Å; V353-L390 CarbonylContact C-O 3.52Å; V353-L390 WeakPolarHBondContact CA-O 3.41Å; L354-L390 PolarHBondContact N-O 3.46Å; L354-L390 PolarHBondContact O-N 3.39Å; I356-L390 HydrophobicContact CD1-CD1 3.71Å; I356-L390 HydrophobicContact CD1-CG 4.27Å; I356-L390 HydrophobicContact CG1-CD1 4.2Å; I356-L390 HydrophobicContact CG1-CG 4.4Å; I356-L390 HydrophobicContact CG2-CD1 4.21Å; L390-W403 HydrophobicContact CB-CE3 4.12Å; L390-R404 WeakPolarHBondContact CA-O 3.18Å; L390-V405 HydrophobicContact CD2-CB 4.31Å; L390-V405 HydrophobicContact CD2-CG1 4.45Å; L390-V405 HydrophobicContact CD2-CG2 3.76Å
391	C	88.8	Confident	85.2	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.014	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	139.6	176.3	-171.5	0	0	0	0	110	W206 V353 R404 L406	W206-C391 HydrophobicContact CE3-CB 3.87Å; W206-C391 HydrophobicContact CH2-CB 3.98Å; W206-C391 WeakPolarHBondContact CH2-SG 3.33Å; W206-C391 HydrophobicContact CZ3-CB 3.26Å; W206-C391 WeakPolarHBondContact CZ3-SG 3.43Å; V353-C391 HydrophobicContact CG2-CB 3.93Å; C391-R404 PolarHBondContact N-O 2.84Å; C391-R404 PolarHBondContact O-N 3.23Å; C391-L406 HydrophobicContact CB-CB 4.35Å; C391-L406 HydrophobicContact CB-CD2 4.37Å
392	R	87.1	Confident	85	Confident	18 Å²	18	35.4 Å²	35.4	7%	0.068	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	117.2	-179.9	-172.2	178.7	175.3	137.2	7.3	109.4	D272 P352 Q394 A402 W403	D272-R392 VanDerWaalsContact CB-NH1 3.32Å; D272-R392 VanDerWaalsContact CB-NH2 3.3Å; D272-R392 IonicContact OD2-CZ 2.86Å; D272-R392 IonicContact OD2-NH1 3.81Å; D272-R392 PolarHBondContact OD2-NH1 2.8Å; D272-R392 IonicContact OD2-NH2 3.82Å; D272-R392 PolarHBondContact OD2-NH2 3.3Å; P352-R392 HydrophobicContact CG-CB 4.09Å; P352-R392 PolarHBondContact O-N 2.94Å; R392-Q394 PolarHBondContact O-N 3.06Å; R392-A402 HydrophobicContact CG-CB 3.89Å; R392-W403 HydrophobicContact CB-CD2 4.34Å; R392-W403 HydrophobicContact CB-CE3 3.96Å; R392-W403 HydrophobicContact CB-CH2 3.95Å; R392-W403 HydrophobicContact CB-CZ2 4.3Å; R392-W403 HydrophobicContact CB-CZ3 3.77Å; R392-W403 HydrophobicContact CG-CH2 4.45Å; R392-W403 HydrophobicContact CG-CZ2 4.33Å
393	D	82.9	Confident	85.1	Confident	24 Å²	24	34.5 Å²	34.5	13%	0.128	18%	0.176	C	C	.	.			trans	-68.2	121.6	170.3	-166	-20.7	0	0	0	109.6	S395 E396 A402 R404	D393-S395 VanDerWaalsContact C-N 3.29Å; D393-S395 VanDerWaalsContact CG-OG 3.3Å; D393-S395 WeakPolarHBondContact OD1-CB 3.48Å; D393-S395 PolarHBondContact OD1-N 3.34Å; D393-S395 PolarHBondContact OD1-OG 2.94Å; D393-S395 PolarHBondContact OD2-OG 3.34Å; D393-E396 HydrophobicContact CB-CB 4.42Å; D393-A402 WeakPolarHBondContact CB-O 3.37Å; D393-A402 PolarHBondContact N-O 3.29Å; D393-R404 IonicContact OD2-CZ 2.7Å; D393-R404 IonicContact OD2-NE 3.93Å; D393-R404 IonicContact OD2-NH2 3.98Å
394	Q	75.8	Confident	85.2	Confident	105 Å²	105	32.6 Å²	32.6	49%	0.491	17%	0.169	S	C	.	.	S	Bend	trans	-76.6	-17.7	179.9	-61.9	-175.7	49.5	0	0	112.8	Q350 G351 R392 E396	Q350-Q394 VanDerWaalsContact C-NE2 3.28Å; Q350-Q394 PolarHBondContact O-NE2 3.23Å; G351-Q394 VanDerWaalsContact CA-NE2 3.33Å; R392-Q394 PolarHBondContact O-N 3.06Å; Q394-E396 VanDerWaalsContact C-N 3.34Å
395	S	77.3	Confident	85.3	Confident	75 Å²	75	32.5 Å²	32.5	52%	0.524	17%	0.168	S	C	.	.	S	Bend	trans	-79.4	-19.9	179.4	63.9	0	0	0	0	113.2	D393	D393-S395 VanDerWaalsContact C-N 3.29Å; D393-S395 VanDerWaalsContact CG-OG 3.3Å; D393-S395 WeakPolarHBondContact OD1-CB 3.48Å; D393-S395 PolarHBondContact OD1-N 3.34Å; D393-S395 PolarHBondContact OD1-OG 2.94Å; D393-S395 PolarHBondContact OD2-OG 3.34Å
396	E	77.7	Confident	85.2	Confident	83 Å²	83	32.6 Å²	32.6	39%	0.388	17%	0.168	S	C	.	.			trans	-88.6	113.8	-177.8	-155.1	70.8	-152.2	0	0	110.5	D393 Q394 N398 A401 A402	D393-E396 HydrophobicContact CB-CB 4.42Å; Q394-E396 VanDerWaalsContact C-N 3.34Å; E396-N398 VanDerWaalsContact C-N 3.31Å; E396-N398 PolarHBondContact O-N 3Å; E396-A401 HydrophobicContact CG-CB 4.2Å; E396-A402 HydrophobicContact CB-CB 4.02Å
397	M	74.8	Confident	85.1	Confident	161 Å²	161	33.9 Å²	33.9	79%	0.793	18%	0.176	S	C	*	.			trans	-69.9	-28	-178.7	-175.1	174	-78.4	0	0	112.5	P399	M397-P399 WeakPolarHBondContact O-CD 3.47Å
398	N	79.5	Confident	85	Confident	21 Å²	21	34.7 Å²	34.7	11%	0.112	18%	0.179	C	C	.	.			trans	-78.7	118.5	179.3	-169.5	-30.3	0	0	0	110.7	S181 N184 E396 L400 A401 A402	S181-N398 WeakPolarHBondContact CA-ND2 3.34Å; S181-N398 WeakPolarHBondContact CB-ND2 3.15Å; S181-N398 PolarHBondContact OG-ND2 3.41Å; N184-N398 PolarHBondContact ND2-ND2 3.36Å; E396-N398 VanDerWaalsContact C-N 3.31Å; E396-N398 PolarHBondContact O-N 3Å; N398-L400 PolarHBondContact O-N 3.39Å; N398-L400 PolarHBondContact OD1-N 2.83Å; N398-A401 HydrophobicContact CB-CB 4.28Å; N398-A401 PolarHBondContact O-N 3.22Å; N398-A402 WeakPolarHBondContact O-CB 3.35Å; N398-A402 PolarHBondContact O-N 3.41Å; N398-A402 VanDerWaalsContact O-N 3.09Å
399	P	77.4	Confident	84.7	Confident	42 Å²	42	36.3 Å²	36.3	27%	0.273	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-27.1	-178.9	26.4	-36.7	0	0	0	114.1	D272 M397 W403	D272-P399 VanDerWaalsContact OD2-CB 3.22Å; D272-P399 WeakPolarHBondContact OD2-CB 3.3Å; M397-P399 WeakPolarHBondContact O-CD 3.47Å; P399-W403 PolarHBondContact O-NE1 3.23Å; P399-W403 VanDerWaalsContact O-NE1 3.15Å
400	L	81.8	Confident	84.4	Confident	74 Å²	74	39.1 Å²	39.1	39%	0.387	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-34.6	179.1	-61.3	179.5	0	0	0	112.5	Y283 N398	Y283-L400 HydrophobicContact CD2-CD2 3.95Å; Y283-L400 HydrophobicContact CE2-CB 4.47Å; Y283-L400 HydrophobicContact CE2-CD2 3.87Å; Y283-L400 PolarHBondContact OH-O 2.76Å; N398-L400 PolarHBondContact O-N 3.39Å; N398-L400 PolarHBondContact OD1-N 2.83Å
401	A	82.6	Confident	84	Confident	3 Å²	3	41.5 Å²	41.5	3%	0.025	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-14.5	-179.1	0	0	0	0	0	113.4	R177 E396 N398 W403	R177-A401 HydrophobicContact CB-CB 4.17Å; R177-A401 PolarHBondContact NH1-O 3.04Å; E396-A401 HydrophobicContact CG-CB 4.2Å; N398-A401 HydrophobicContact CB-CB 4.28Å; N398-A401 PolarHBondContact O-N 3.22Å; A401-W403 PolarHBondContact O-N 3.15Å
402	A	86.7	Confident	83.7	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	-65.6	-21.4	-176.1	0	0	0	0	0	114.3	R392 D393 E396 N398	R392-A402 HydrophobicContact CG-CB 3.89Å; D393-A402 WeakPolarHBondContact CB-O 3.37Å; D393-A402 PolarHBondContact N-O 3.29Å; E396-A402 HydrophobicContact CB-CB 4.02Å; N398-A402 WeakPolarHBondContact O-CB 3.35Å; N398-A402 PolarHBondContact O-N 3.41Å; N398-A402 VanDerWaalsContact O-N 3.09Å
403	W	90.3	Very high	83.3	Confident	8 Å²	8	46 Å²	46	3%	0.03	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	128.9	-174.6	-61	95.8	0	0	0	112.3	R177 I268 F275 F280 L354 L390 R392 P399 A401	R177-W403 WeakPolarHBondContact CD-O 3.14Å; I268-W403 HydrophobicContact CD1-CH2 4.09Å; F275-W403 HydrophobicContact CD2-CZ2 4.43Å; F275-W403 HydrophobicContact CE2-CH2 4.33Å; F275-W403 AromaticContact CE2-CZ2 3.72Å; F275-W403 HydrophobicContact CE2-CZ2 3.72Å; F275-W403 HydrophobicContact CZ-CZ2 4.44Å; F280-W403 HydrophobicContact CD2-CZ2 4.03Å; F280-W403 AromaticContact CE2-CD2 3.66Å; F280-W403 HydrophobicContact CE2-CD2 3.66Å; F280-W403 AromaticContact CE2-CE2 3.51Å; F280-W403 AromaticContact CE2-CE3 3.97Å; F280-W403 HydrophobicContact CE2-CE3 3.97Å; F280-W403 HydrophobicContact CE2-CG 4.21Å; F280-W403 HydrophobicContact CE2-CH2 4Å; F280-W403 AromaticContact CE2-CZ2 3.71Å; F280-W403 HydrophobicContact CE2-CZ2 3.71Å; F280-W403 HydrophobicContact CE2-CZ3 4.12Å; F280-W403 AromaticContact CE2-NE1 3.97Å; F280-W403 HydrophobicContact CZ-CD2 4.32Å; F280-W403 HydrophobicContact CZ-CE3 4.17Å; F280-W403 HydrophobicContact CZ-CH2 4.26Å; F280-W403 HydrophobicContact CZ-CZ2 4.42Å; F280-W403 HydrophobicContact CZ-CZ3 4.13Å; L354-W403 HydrophobicContact CD1-CH2 3.62Å; L354-W403 HydrophobicContact CD1-CZ3 3.94Å; L354-W403 HydrophobicContact CG-CH2 4.26Å; L354-W403 HydrophobicContact CG-CZ3 4.22Å; L390-W403 HydrophobicContact CB-CE3 4.12Å; R392-W403 HydrophobicContact CB-CD2 4.34Å; R392-W403 HydrophobicContact CB-CE3 3.96Å; R392-W403 HydrophobicContact CB-CH2 3.95Å; R392-W403 HydrophobicContact CB-CZ2 4.3Å; R392-W403 HydrophobicContact CB-CZ3 3.77Å; R392-W403 HydrophobicContact CG-CH2 4.45Å; R392-W403 HydrophobicContact CG-CZ2 4.33Å; P399-W403 PolarHBondContact O-NE1 3.23Å; P399-W403 VanDerWaalsContact O-NE1 3.15Å; A401-W403 PolarHBondContact O-N 3.15Å
404	R	91.1	Very high	82.6	Confident	50 Å²	50	49.8 Å²	49.8	19%	0.189	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	149.2	173.1	-68.9	-178.3	-168	-138.9	-3.8	111	W307 H309 L390 C391 D393	W307-R404 WeakPolarHBondContact O-CA 3.21Å; H309-R404 VanDerWaalsContact CE1-CD 3.43Å; H309-R404 WeakPolarHBondContact CE1-CD 3.23Å; H309-R404 VanDerWaalsContact NE2-CB 3.34Å; H309-R404 WeakPolarHBondContact NE2-CB 3.39Å; H309-R404 WeakPolarHBondContact NE2-CD 3.27Å; L390-R404 WeakPolarHBondContact CA-O 3.18Å; C391-R404 PolarHBondContact N-O 2.84Å; C391-R404 PolarHBondContact O-N 3.23Å; D393-R404 IonicContact OD2-CZ 2.7Å; D393-R404 IonicContact OD2-NE 3.93Å; D393-R404 IonicContact OD2-NH2 3.98Å
405	V	91.8	Very high	81.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	118.4	174.5	-165.1	0	0	0	0	109.6	V292 W307 H309 P312 L390 I408	V292-V405 HydrophobicContact CG2-CG2 4.32Å; W307-V405 PolarHBondContact O-N 3.49Å; H309-V405 PolarHBondContact N-O 3Å; P312-V405 WeakPolarHBondContact CG-O 3.32Å; L390-V405 HydrophobicContact CD2-CB 4.31Å; L390-V405 HydrophobicContact CD2-CG1 4.45Å; L390-V405 HydrophobicContact CD2-CG2 3.76Å; V405-I408 HydrophobicContact CB-CD1 4.45Å; V405-I408 HydrophobicContact CG1-CD1 3.67Å; V405-I408 HydrophobicContact CG1-CG1 3.38Å
406	L	87.9	Confident	80.4	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	-39	-178.8	-179.5	61.6	0	0	0	112.6	W206 W210 P312 V353 A389 C391	W206-L406 HydrophobicContact CB-CD1 4.08Å; W206-L406 HydrophobicContact CE3-CD1 4.24Å; W210-L406 HydrophobicContact CB-CD2 3.9Å; W210-L406 HydrophobicContact CB-CG 4.42Å; W210-L406 HydrophobicContact CD2-CD2 3.92Å; W210-L406 HydrophobicContact CE3-CD2 4.03Å; W210-L406 HydrophobicContact CG-CD2 3.85Å; W210-L406 HydrophobicContact CG-CG 4.23Å; P312-L406 WeakPolarHBondContact CD-O 3.3Å; P312-L406 VanDerWaalsContact CG-O 3.28Å; P312-L406 WeakPolarHBondContact CG-O 3.31Å; V353-L406 HydrophobicContact CG2-CD2 4.26Å; A389-L406 HydrophobicContact CB-CB 4.28Å; A389-L406 PolarHBondContact O-N 3.38Å; C391-L406 HydrophobicContact CB-CB 4.35Å; C391-L406 HydrophobicContact CB-CD2 4.37Å
407	D	87.4	Confident	78.6	Confident	28 Å²	28	62.5 Å²	62.5	15%	0.15	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	145.4	178.4	-162.2	5.1	0	0	0	109.7	W210 K214 W388 A389	W210-D407 HydrophobicContact CZ2-CB 4.46Å; W210-D407 PolarHBondContact NE1-OD2 2.82Å; K214-D407 IonicContact NZ-OD2 3.3Å; K214-D407 PolarHBondContact NZ-OD2 3.13Å; W388-D407 WeakPolarHBondContact CA-O 3.34Å; A389-D407 HydrophobicContact CB-CB 4.17Å; A389-D407 PolarHBondContact N-O 2.91Å
408	I	88.5	Confident	78.8	Confident	25 Å²	25	57.6 Å²	57.6	13%	0.128	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	118.7	179.7	-68.4	165.9	0	0	0	107.7	V292 L316 W388 V405 M410	V292-I408 HydrophobicContact CG1-CD1 4.41Å; L316-I408 HydrophobicContact CD1-CD1 3.57Å; W388-I408 HydrophobicContact CD2-CG1 4.48Å; W388-I408 HydrophobicContact CG-CG1 4.23Å; V405-I408 HydrophobicContact CB-CD1 4.45Å; V405-I408 HydrophobicContact CG1-CD1 3.67Å; V405-I408 HydrophobicContact CG1-CG1 3.38Å; I408-M410 HydrophobicContact CG2-CG 3.61Å; I408-M410 HydrophobicContact CG2-SD 4.09Å
409	A	86.9	Confident	78.8	Confident	35 Å²	35	59.5 Å²	59.5	29%	0.289	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123.9	167.7	0	0	0	0	0	109.3	N386 V387	N386-A409 WeakPolarHBondContact CA-O 3.43Å; V387-A409 HydrophobicContact CB-CB 4.4Å; V387-A409 PolarHBondContact N-O 3.31Å; V387-A409 PolarHBondContact O-N 3.17Å
410	M	85.2	Confident	78.8	Confident	62 Å²	62	60.5 Å²	60.5	31%	0.305	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	121.3	178.2	-52	-178.5	71.7	0	0	108.5	L293 V384 N386 I408	L293-M410 HydrophobicContact CD2-CE 4.18Å; V384-M410 HydrophobicContact CG1-CB 3.94Å; V384-M410 HydrophobicContact CG1-CE 4.29Å; N386-M410 WeakPolarHBondContact OD1-CE 3.33Å; N386-M410 WeakPolarHBondContact OD1-CG 3.35Å; I408-M410 HydrophobicContact CG2-CG 3.61Å; I408-M410 HydrophobicContact CG2-SD 4.09Å
411	M	82.9	Confident	78.7	Confident	52 Å²	52	59.7 Å²	59.7	26%	0.256	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	105.6	179.8	-65.5	176.9	-67.5	0	0	109.5	A228 V384 T385	A228-M411 HydrophobicContact CB-SD 4.09Å; V384-M411 WeakPolarHBondContact CA-O 3.47Å; T385-M411 HydrophobicContact CG2-CE 4.1Å; T385-M411 PolarHBondContact N-O 3.29Å; T385-M411 PolarHBondContact O-N 2.78Å
412	P	81.6	Confident	78.4	Confident	94 Å²	94	63.3 Å²	63.3	61%	0.61	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	131.1	176.5	30.2	-32.1	0	0	0	111.1	V384	V384-P412 HydrophobicContact CG2-CB 4.28Å
413	S	78.6	Confident	77.9	Confident	21 Å²	21	67.5 Å²	67.5	15%	0.147	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136.8	169.2	64.3	0	0	0	0	109.3	R383	R383-S413 PolarHBondContact N-O 3.29Å; R383-S413 PolarHBondContact NE-OG 2.78Å; R383-S413 PolarHBondContact O-N 3.17Å; R383-S413 VanDerWaalsContact O-O 3.13Å; R383-S413 PolarHBondContact O-OG 2.91Å
414	E	68.7	Low	77	Confident	102 Å²	102	71.7 Å²	71.7	48%	0.477	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	133.1	178.9	-56.8	-161.7	154.6	0	0	110.7	K380 L382	K380-E414 IonicContact NZ-OE1 3.38Å; K380-E414 PolarHBondContact NZ-OE1 2.68Å; K380-E414 IonicContact NZ-OE2 3.58Å; K380-E414 PolarHBondContact NZ-OE2 3.33Å; L382-E414 HydrophobicContact CD2-CG 4.47Å
415	Q	57.8	Low	75.9	Confident	93 Å²	93	73.4 Å²	73.4	44%	0.435	37%	0.365	S	S	.	.			trans	-96.5	106.8	169.9	-171.7	170.5	0.8	0	0	108.5	M417	Q415-M417 PolarHBondContact O-N 2.83Å
416	W	49.1	Very low	74.6	Confident	203 Å²	203	79.5 Å²	79.5	77%	0.769	40%	0.395	S	S	*	.			trans	-71.6	120.6	166.4	-56.6	89.8	0	0	0	107.7
417	M	40.3	Very low	73.4	Confident	235 Å²	235	86.4 Å²	86.4	100%	1.158	43%	0.429	S	S	*	.			trans	-92.8	0	169.9	-148	-175.1	-61.4	0	0	110.3	Q415	Q415-M417 PolarHBondContact O-N 2.83Å

Retrieved 417 of 417 residues in 465 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).