A0A087XFP9_POEFO Loading...

Proline dehydrogenase

Converts proline to delta-1-pyrroline-5-carboxylate.

AlphaFold DB , UniProt , Accession A0A087XFP9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 470 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	V	42.4	Very low	33.6	Very low	199 Å²	199	139.7 Å²	139.7	100%	1.206	85%	0.853	S	S	*	*				0	132.5	0	178.6	0	0	0	0	107.4
2	S	34.8	Very low	33.3	Very low	110 Å²	110	147.5 Å²	147.5	77%	0.769	86%	0.855	S	S	*	*			trans	-142.2	172.5	-178.3	-49	0	0	0	0	107.9
3	P	53.4	Low	34.1	Very low	128 Å²	128	145.5 Å²	145.5	83%	0.831	85%	0.849	S	S	*	*			cis	-98.6	-140.6	-5.8	42.7	-33.2	0	0	0	110.1
4	G	30	Very low	33.6	Very low	67 Å²	67	141.9 Å²	141.9	69%	0.691	85%	0.845	S	S	*	*			cis	169	173.1	5.5	0	0	0	0	0	110.5
5	T	33.2	Very low	33.5	Very low	130 Å²	130	141.5 Å²	141.5	80%	0.798	84%	0.844	S	S	*	*			cis	-158.6	169.8	-7.9	-70.1	0	0	0	0	108.5
6	M	31.4	Very low	34	Very low	168 Å²	168	139.1 Å²	139.1	83%	0.828	83%	0.833	S	S	*	*			trans	-58.9	161	178.3	-48.8	168.3	-177.7	0	0	115.7
7	L	31.3	Very low	33.7	Very low	171 Å²	171	140.5 Å²	140.5	90%	0.895	83%	0.828	S	S	*	*				-171.8	161.3	107.6	-102.5	165.4	0	0	0	114.3
8	C	27.1	Very low	33.6	Very low	117 Å²	117	140.4 Å²	140.4	79%	0.791	82%	0.823	S	S	*	*			trans	-112.3	161.4	-176.1	-53.2	0	0	0	0	112.2
9	S	28.6	Very low	33.4	Very low	121 Å²	121	140.6 Å²	140.6	85%	0.846	82%	0.819	S	S	*	*			trans	-164.3	155	142.5	44.3	0	0	0	0	112.8
10	N	28.8	Very low	33.2	Very low	153 Å²	153	140.2 Å²	140.2	82%	0.818	81%	0.813	S	S	*	*			trans	-91.6	162.6	178.7	-61.3	-63.2	0	0	0	111.2
11	L	28.8	Very low	32.9	Very low	173 Å²	173	143.1 Å²	143.1	91%	0.906	81%	0.81	S	S	*	*				177.8	138.9	117.3	-92.6	158.2	0	0	0	113.7
12	R	30	Very low	32.2	Very low	233 Å²	233	145.7 Å²	145.7	88%	0.879	80%	0.798	S	S	*	*			trans	-108	178.3	152.3	-73.1	-175.4	174	-172.3	-0.4	106.9
13	P	43.3	Very low	32	Very low	121 Å²	121	147.3 Å²	147.3	79%	0.786	80%	0.797	S	S	*	*			cis	-127.6	-177.8	-9.2	39.2	-23.7	0	0	0	113.4
14	A	27.4	Very low	30.9	Very low	96 Å²	96	148.4 Å²	148.4	79%	0.793	80%	0.801	S	S	*	*			trans	-152.5	130.2	153.3	0	0	0	0	0	112
15	V	32.1	Very low	30.7	Very low	135 Å²	135	148.4 Å²	148.4	82%	0.818	80%	0.802	S	S	*	*			trans	-149	130.9	165.9	176.9	0	0	0	0	107.6
16	P	40.8	Very low	30.5	Very low	103 Å²	103	148.6 Å²	148.6	67%	0.669	80%	0.803	S	S	*	*			trans	-144.1	134.7	137.6	29.2	-10.4	0	0	0	114.9
17	H	30.5	Very low	30.5	Very low	163 Å²	163	146 Å²	146	76%	0.755	81%	0.808	S	S	*	*				50.9	145.4	124.3	-58.4	-41.9	0	0	0	122
18	L	30.2	Very low	30.4	Very low	139 Å²	139	144.1 Å²	144.1	73%	0.728	80%	0.804	S	S	*	*			cis	-174	-176.9	-15.3	-131.6	170.2	0	0	0	108.3
19	L	29.8	Very low	30.4	Very low	144 Å²	144	143.7 Å²	143.7	75%	0.754	80%	0.803	S	S	*	*			trans	76.9	147.7	168.3	-43.5	177.9	0	0	0	115.7
20	L	29.6	Very low	30.4	Very low	132 Å²	132	149.4 Å²	149.4	69%	0.691	81%	0.806	S	S	*	*			cis	-151.4	144.1	-0.9	-156.8	70.8	0	0	0	113.6
21	R	27.6	Very low	30.3	Very low	203 Å²	203	150.2 Å²	150.2	77%	0.766	81%	0.807	S	S	*	*			trans	34.1	131.6	151.1	-76.4	173.4	169.2	176.3	-4.4	121.4
22	R	28.3	Very low	30.3	Very low	252 Å²	252	147.9 Å²	147.9	95%	0.951	80%	0.799	S	S	*	*				-146.7	150.2	98.1	-107.4	179	-175.4	-165.3	0.7	111.2
23	L	28.9	Very low	30.3	Very low	144 Å²	144	141.4 Å²	141.4	75%	0.754	80%	0.795	S	S	*	*			trans	-105.8	143.1	173.6	-71.4	94.7	0	0	0	110.2
24	V	31.3	Very low	29.6	Very low	151 Å²	151	141.5 Å²	141.5	92%	0.915	79%	0.794	S	S	*	*			trans	-132.7	132	140.8	179.9	0	0	0	0	105.7
25	G	25.6	Very low	29.8	Very low	68 Å²	68	146.3 Å²	146.3	70%	0.701	80%	0.797	S	S	*	*			trans	-112.2	138.5	-176.8	0	0	0	0	0	112.2
26	T	29.5	Very low	29.6	Very low	133 Å²	133	150.7 Å²	150.7	82%	0.816	80%	0.799	S	S	*	*			trans	-117.7	127.4	162.2	47.1	0	0	0	0	108.1	T28	T26-T28 PolarHBondContact O-N 2.63Å
27	A	30	Very low	29.2	Very low	114 Å²	114	151.2 Å²	151.2	94%	0.942	80%	0.802	S	S	*	*			trans	-76.5	113.6	-170.8	0	0	0	0	0	111.6
28	T	29.3	Very low	29.6	Very low	131 Å²	131	151.2 Å²	151.2	80%	0.804	80%	0.802	S	S	*	*			trans	-90.2	125.7	166.1	43.7	0	0	0	0	110.1	T26 R30	T26-T28 PolarHBondContact O-N 2.63Å; T28-R30 PolarHBondContact O-N 2.67Å
29	S	27.5	Very low	30	Very low	109 Å²	109	152.6 Å²	152.6	76%	0.762	81%	0.809	S	S	*	*			trans	-64.4	128.7	179.5	-176.3	0	0	0	0	110.9	M31	S29-M31 PolarHBondContact O-N 3.23Å
30	R	28.9	Very low	30.5	Very low	241 Å²	241	152 Å²	152	91%	0.909	81%	0.805	S	S	*	*			trans	-74.6	75.1	169.4	-75.2	-172.7	176.5	-176.7	-0.5	110.1	T28 V32	T28-R30 PolarHBondContact O-N 2.67Å; R30-V32 PolarHBondContact O-N 2.98Å; R30-V32 VanDerWaalsContact O-N 3.17Å
31	M	27.4	Very low	31.2	Very low	170 Å²	170	149.5 Å²	149.5	84%	0.837	80%	0.799	S	S	*	*			trans	-64.7	113.5	156.1	-72.1	-166	72.3	0	0	107.9	S29 A33	S29-M31 PolarHBondContact O-N 3.23Å; M31-A33 PolarHBondContact O-N 2.84Å; M31-A33 VanDerWaalsContact O-N 3.17Å
32	V	28.6	Very low	32.5	Very low	124 Å²	124	142.1 Å²	142.1	75%	0.752	78%	0.776	S	S	*	*			trans	-57.5	120.4	170	174	0	0	0	0	107.3	R30 T34	R30-V32 PolarHBondContact O-N 2.98Å; R30-V32 VanDerWaalsContact O-N 3.17Å; V32-T34 PolarHBondContact O-N 3.45Å
33	A	30.3	Very low	34.2	Very low	97 Å²	97	134.5 Å²	134.5	80%	0.802	76%	0.762	S	S	*	*			trans	-69.5	85.5	175.6	0	0	0	0	0	109.2	M31 K35	M31-A33 PolarHBondContact O-N 2.84Å; M31-A33 VanDerWaalsContact O-N 3.17Å; A33-K35 PolarHBondContact O-N 3.45Å
34	T	28.1	Very low	36.7	Very low	123 Å²	123	127.9 Å²	127.9	76%	0.755	73%	0.727	S	S	*	*			trans	-56.8	113.6	165.3	36.6	0	0	0	0	107.6	V32 R36	V32-T34 PolarHBondContact O-N 3.45Å; T34-R36 PolarHBondContact O-N 2.78Å
35	K	31	Very low	39.2	Very low	196 Å²	196	122.7 Å²	122.7	85%	0.852	70%	0.7	S	S	*	*			trans	-51.4	111.8	166.7	-84	-169.9	169.7	-166.7	0	107	A33	A33-K35 PolarHBondContact O-N 3.45Å
36	R	27.9	Very low	42.1	Very low	228 Å²	228	119.5 Å²	119.5	86%	0.86	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-57.5	137.4	159.8	-78.9	-177.2	170.6	174.1	-3	106.6	T34 E38	T34-R36 PolarHBondContact O-N 2.78Å; R36-E38 PolarHBondContact O-N 3.4Å
37	P	32.9	Very low	44.9	Very low	113 Å²	113	117.6 Å²	117.6	73%	0.734	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-53.6	141.5	170.6	-23.4	33.5	0	0	0	109.6	I39	P37-I39 PolarHBondContact O-N 2.71Å; P37-I39 VanDerWaalsContact O-N 3.16Å
38	E	38.5	Very low	47.5	Very low	164 Å²	164	115 Å²	115	77%	0.766	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-58.7	119	168.3	-70.2	162.5	168.5	0	0	107.5	R36 L40	R36-E38 PolarHBondContact O-N 3.4Å; E38-L40 PolarHBondContact O-N 3.01Å
39	I	38.7	Very low	50.2	Low	168 Å²	168	110.2 Å²	110.2	86%	0.862	59%	0.59	S	S	*	*			trans	-78.6	74.7	175.5	-55.1	-179.6	0	0	0	107	P37	P37-I39 PolarHBondContact O-N 2.71Å; P37-I39 VanDerWaalsContact O-N 3.16Å
40	L	39.8	Very low	52.9	Low	130 Å²	130	106.2 Å²	106.2	68%	0.681	56%	0.563	S	S	*	*			trans	-65.8	143.2	174.8	-94.3	158.9	0	0	0	110.6	E38	E38-L40 PolarHBondContact O-N 3.01Å
41	S	44.6	Very low	55.6	Low	80 Å²	80	95.4 Å²	95.4	56%	0.559	53%	0.525	S	S	*	.			trans	77.2	111.4	-179.2	75.2	0	0	0	0	117	S43	S41-S43 PolarHBondContact O-N 2.62Å
42	V	54.8	Low	58.6	Low	48 Å²	48	87.3 Å²	87.3	29%	0.291	49%	0.485	S	S	.	.			trans	-67.8	81.2	149.6	-177	0	0	0	0	107.9	L44	V42-L44 HydrophobicContact CG1-CG 4.45Å; V42-L44 PolarHBondContact O-N 3Å
43	S	64.4	Low	61.4	Low	93 Å²	93	88.3 Å²	88.3	65%	0.65	48%	0.475	S	S	*	.			trans	-69.7	92.2	176.7	-171.1	0	0	0	0	110.1	S41 A45	S41-S43 PolarHBondContact O-N 2.62Å; S43-A45 PolarHBondContact O-N 2.77Å
44	L	81.9	Confident	64.1	Low	5 Å²	5	87.5 Å²	87.5	3%	0.026	46%	0.46	C	S	.	.			trans	-64.5	84.9	171.9	-77.7	167.7	0	0	0	109.9	V42 F46 V375 R376 A379 T409 L410 E413	V42-L44 HydrophobicContact CG1-CG 4.45Å; V42-L44 PolarHBondContact O-N 3Å; L44-F46 HydrophobicContact CB-CE1 4.33Å; L44-F46 HydrophobicContact CB-CE2 3.95Å; L44-F46 HydrophobicContact CB-CZ 3.76Å; L44-F46 HydrophobicContact CD1-CZ 4.2Å; L44-F46 HydrophobicContact CD2-CE1 4.32Å; L44-F46 HydrophobicContact CD2-CZ 4.18Å; L44-F46 HydrophobicContact CG-CZ 4.28Å; L44-F46 PolarHBondContact O-N 3.12Å; L44-V375 HydrophobicContact CD1-CG1 4.21Å; L44-R376 HydrophobicContact CB-CG 4.11Å; L44-R376 PolarHBondContact O-NE 2.75Å; L44-R376 PolarHBondContact O-NH2 2.86Å; L44-A379 HydrophobicContact CD1-CB 3.44Å; L44-A379 VanDerWaalsContact CD1-CB 3.44Å; L44-T409 HydrophobicContact CD2-CG2 3.81Å; L44-L410 HydrophobicContact CD1-CD2 4.27Å; L44-L410 HydrophobicContact CD2-CD2 4.25Å; L44-E413 HydrophobicContact CD2-CB 4.24Å; L44-E413 HydrophobicContact CD2-CG 3.85Å
45	A	83.3	Confident	67	Low	42 Å²	42	82.4 Å²	82.4	35%	0.347	43%	0.428	S	S	.	.			trans	-76.9	106.6	174.2	0	0	0	0	0	109.3	S43 E47 T409	S43-A45 PolarHBondContact O-N 2.77Å; A45-E47 VanDerWaalsContact C-N 3.29Å; A45-E47 VanDerWaalsContact CA-OE2 3.31Å; A45-E47 WeakPolarHBondContact CA-OE2 3.41Å; A45-T409 PolarHBondContact O-OG1 2.95Å
46	F	87.6	Confident	69.9	Low	1 Å²	1	75.9 Å²	75.9	0%	0.004	41%	0.406	C	S	.	.			trans	-97.7	13.7	174.6	-61.7	-51.7	0	0	0	111	L44 E372 V375 R376 H405 V406 T409 K449 L453	L44-F46 HydrophobicContact CB-CE1 4.33Å; L44-F46 HydrophobicContact CB-CE2 3.95Å; L44-F46 HydrophobicContact CB-CZ 3.76Å; L44-F46 HydrophobicContact CD1-CZ 4.2Å; L44-F46 HydrophobicContact CD2-CE1 4.32Å; L44-F46 HydrophobicContact CD2-CZ 4.18Å; L44-F46 HydrophobicContact CG-CZ 4.28Å; L44-F46 PolarHBondContact O-N 3.12Å; F46-E372 VanDerWaalsContact CB-CD 3.45Å; F46-E372 HydrophobicContact CB-CG 4.12Å; F46-E372 WeakPolarHBondContact CB-OE1 3.24Å; F46-E372 HydrophobicContact CD2-CB 3.57Å; F46-E372 HydrophobicContact CD2-CG 3.49Å; F46-E372 VanDerWaalsContact CD2-CG 3.49Å; F46-E372 HydrophobicContact CE2-CB 3.9Å; F46-E372 HydrophobicContact CE2-CG 4.11Å; F46-E372 HydrophobicContact CG-CG 4Å; F46-V375 HydrophobicContact CE2-CB 4.34Å; F46-V375 HydrophobicContact CE2-CG1 4.21Å; F46-V375 HydrophobicContact CZ-CB 4.26Å; F46-V375 HydrophobicContact CZ-CG1 3.67Å; F46-R376 HydrophobicContact CE2-CG 4.05Å; F46-H405 PolarHBondContact O-CD2 2.7Å; F46-H405 VanDerWaalsContact O-CD2 3.27Å; F46-V406 HydrophobicContact CD1-CB 4.31Å; F46-V406 HydrophobicContact CD1-CG1 4.23Å; F46-V406 HydrophobicContact CD1-CG2 4.35Å; F46-V406 HydrophobicContact CE1-CB 4.25Å; F46-V406 HydrophobicContact CE1-CG1 3.74Å; F46-V406 HydrophobicContact CE2-CG1 4.33Å; F46-V406 HydrophobicContact CG-CG2 4.47Å; F46-V406 HydrophobicContact CZ-CG1 3.81Å; F46-T409 HydrophobicContact CD1-CG2 3.79Å; F46-T409 HydrophobicContact CE1-CG2 3.62Å; F46-K449 WeakPolarHBondContact O-CE 3.37Å; F46-L453 WeakPolarHBondContact O-CD1 3.34Å
47	E	86.5	Confident	73	Confident	93 Å²	93	69.5 Å²	69.5	44%	0.435	39%	0.389	S	S	.	.			trans	-102.5	-7.6	-177.9	-61.5	66.6	-137.6	0	0	111.9	A45 P49 R376 K449 L453	A45-E47 VanDerWaalsContact C-N 3.29Å; A45-E47 VanDerWaalsContact CA-OE2 3.31Å; A45-E47 WeakPolarHBondContact CA-OE2 3.41Å; E47-P49 WeakPolarHBondContact O-CD 3.41Å; E47-R376 IonicContact OE1-CZ 3.71Å; E47-R376 IonicContact OE1-NH2 3.38Å; E47-R376 PolarHBondContact OE1-NH2 3.28Å; E47-R376 IonicContact OE2-NH2 2.68Å; E47-R376 PolarHBondContact OE2-NH2 2.77Å; E47-K449 IonicContact OE1-NZ 3.86Å; E47-K449 PolarHBondContact OE1-NZ 2.87Å; E47-L453 VanDerWaalsContact O-CD2 3.27Å; E47-L453 WeakPolarHBondContact O-CD2 3.38Å
48	D	85.2	Confident	75.9	Confident	58 Å²	58	66.2 Å²	66.2	31%	0.31	38%	0.375	S	S	.	.			trans	-83.6	113.6	-179.4	179.7	12.4	0	0	0	111.8	S50	D48-S50 PolarHBondContact O-N 2.76Å; D48-S50 WeakPolarHBondContact OD1-CB 3.33Å; D48-S50 PolarHBondContact OD1-N 2.69Å; D48-S50 PolarHBondContact OD1-OG 3.34Å; D48-S50 WeakPolarHBondContact OD2-CB 3.39Å; D48-S50 PolarHBondContact OD2-OG 3Å
49	P	86.1	Confident	78.5	Confident	31 Å²	31	59.8 Å²	59.8	20%	0.201	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-68.2	-11.1	176.6	29.8	-35.9	0	0	0	113.3	E47 A51 F52 L453 Q456 E457	E47-P49 WeakPolarHBondContact O-CD 3.41Å; P49-A51 PolarHBondContact O-N 3.07Å; P49-A51 VanDerWaalsContact O-N 3.17Å; P49-F52 PolarHBondContact O-N 3.45Å; P49-L453 HydrophobicContact CB-CD2 4.27Å; P49-Q456 HydrophobicContact CB-CB 3.95Å; P49-Q456 HydrophobicContact CG-CB 4.14Å; P49-E457 HydrophobicContact CB-CB 4.39Å
50	S	84.4	Confident	81	Confident	26 Å²	26	51.8 Å²	51.8	18%	0.182	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-61.2	-22.8	178.9	90.6	0	0	0	0	113.5	D48 F52 R53	D48-S50 PolarHBondContact O-N 2.76Å; D48-S50 WeakPolarHBondContact OD1-CB 3.33Å; D48-S50 PolarHBondContact OD1-N 2.69Å; D48-S50 PolarHBondContact OD1-OG 3.34Å; D48-S50 WeakPolarHBondContact OD2-CB 3.39Å; D48-S50 PolarHBondContact OD2-OG 3Å; S50-F52 PolarHBondContact O-N 3Å; S50-F52 VanDerWaalsContact O-N 3.12Å; S50-R53 VanDerWaalsContact O-CB 3.28Å; S50-R53 WeakPolarHBondContact O-CB 3.5Å; S50-R53 VanDerWaalsContact O-CG 3.27Å; S50-R53 WeakPolarHBondContact O-CG 3.15Å; S50-R53 PolarHBondContact O-N 3.4Å
51	A	86.5	Confident	83.6	Confident	14 Å²	14	50.2 Å²	50.2	12%	0.116	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-51.1	-32.3	170.4	0	0	0	0	0	112.7	P49 R53 L408	P49-A51 PolarHBondContact O-N 3.07Å; P49-A51 VanDerWaalsContact O-N 3.17Å; A51-R53 PolarHBondContact O-N 3.11Å; A51-L408 HydrophobicContact CB-CB 4.25Å; A51-L408 WeakPolarHBondContact O-CD1 3.45Å
52	F	89.7	Confident	86	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-84.5	-1.4	-179.7	-66.9	-67.7	0	0	0	115.1	P49 S50 V54 K55 L60 D404 H405 E450 L453 L454 E457 R461	P49-F52 PolarHBondContact O-N 3.45Å; S50-F52 PolarHBondContact O-N 3Å; S50-F52 VanDerWaalsContact O-N 3.12Å; F52-V54 PolarHBondContact O-N 3.32Å; F52-K55 HydrophobicContact CD1-CD 4.16Å; F52-K55 PolarHBondContact O-N 3.31Å; F52-L60 HydrophobicContact CB-CD2 4.15Å; F52-D404 HydrophobicContact CE1-CB 4.15Å; F52-H405 HydrophobicContact CE2-CB 3.75Å; F52-H405 HydrophobicContact CZ-CB 3.68Å; F52-E450 HydrophobicContact CZ-CG 3.9Å; F52-L453 HydrophobicContact CD2-CB 4.11Å; F52-L453 HydrophobicContact CE2-CB 3.65Å; F52-L453 HydrophobicContact CE2-CD1 4.27Å; F52-L454 HydrophobicContact CB-CD2 4.41Å; F52-L454 HydrophobicContact CD1-CD2 3.46Å; F52-L454 VanDerWaalsContact CD1-CD2 3.46Å; F52-L454 HydrophobicContact CD1-CG 4.35Å; F52-L454 HydrophobicContact CD2-CD2 4.22Å; F52-L454 HydrophobicContact CD2-CG 4.5Å; F52-L454 HydrophobicContact CE1-CD2 3.68Å; F52-L454 HydrophobicContact CE1-CG 4.19Å; F52-L454 HydrophobicContact CE2-CD2 4.4Å; F52-L454 HydrophobicContact CE2-CG 4.35Å; F52-L454 HydrophobicContact CG-CD2 3.75Å; F52-L454 HydrophobicContact CZ-CD2 4.16Å; F52-L454 HydrophobicContact CZ-CG 4.2Å; F52-E457 HydrophobicContact CB-CB 4.15Å; F52-E457 HydrophobicContact CB-CG 3.95Å; F52-R461 PolarHBondContact O-NH2 3.22Å
53	R	87.7	Confident	87.7	Confident	145 Å²	145	47.4 Å²	47.4	55%	0.547	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-57.2	-32.7	179.1	-74.7	174.1	-178.8	169.3	5.4	113.2	S50 A51 K55 E457 R461	S50-R53 VanDerWaalsContact O-CB 3.28Å; S50-R53 WeakPolarHBondContact O-CB 3.5Å; S50-R53 VanDerWaalsContact O-CG 3.27Å; S50-R53 WeakPolarHBondContact O-CG 3.15Å; S50-R53 PolarHBondContact O-N 3.4Å; A51-R53 PolarHBondContact O-N 3.11Å; R53-K55 VanDerWaalsContact C-N 3.27Å; R53-K55 PolarHBondContact O-N 3.07Å; R53-E457 WeakPolarHBondContact CG-OE1 3.23Å; R53-R461 PolarHBondContact O-NH2 3.49Å; R53-R461 VanDerWaalsContact O-NH2 3.16Å
54	V	87.2	Confident	89	Confident	80 Å²	80	44.2 Å²	44.2	49%	0.485	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-70.8	-15.1	178.5	-62	0	0	0	0	114.4	F52 M126 L408	F52-V54 PolarHBondContact O-N 3.32Å; V54-M126 HydrophobicContact CB-CG 4.16Å; V54-M126 HydrophobicContact CB-SD 4.48Å; V54-M126 HydrophobicContact CG2-CE 3.77Å; V54-M126 HydrophobicContact CG2-CG 4.06Å; V54-M126 HydrophobicContact CG2-SD 4.11Å; V54-L408 HydrophobicContact CG2-CD1 3.98Å; V54-L408 HydrophobicContact CG2-CD2 4.39Å
55	K	89.3	Confident	89.4	Confident	16 Å²	16	45.7 Å²	45.7	7%	0.07	26%	0.261	C	S	.	.	S	Bend	trans	-84.5	144.5	177	-66.2	-160.1	175	-168.8	0	111.9	F52 R53 E59 L60 D404 R461	F52-K55 HydrophobicContact CD1-CD 4.16Å; F52-K55 PolarHBondContact O-N 3.31Å; R53-K55 VanDerWaalsContact C-N 3.27Å; R53-K55 PolarHBondContact O-N 3.07Å; K55-E59 HydrophobicContact CB-CB 4.25Å; K55-E59 HydrophobicContact CD-CB 4.43Å; K55-L60 HydrophobicContact CB-CD2 4.07Å; K55-D404 WeakPolarHBondContact CE-OD2 3.33Å; K55-D404 IonicContact NZ-OD2 3.46Å; K55-D404 PolarHBondContact NZ-OD2 3.11Å; K55-R461 VanDerWaalsContact O-CZ 3.28Å; K55-R461 PolarHBondContact O-NH1 3.46Å; K55-R461 PolarHBondContact O-NH2 3.18Å
56	S	91.9	Very high	89.7	Confident	58 Å²	58	44 Å²	44	41%	0.406	25%	0.246	S	C	.	.			trans	-70.6	163	171.9	68.5	0	0	0	0	112.1	G58 E59 L60	S56-G58 VanDerWaalsContact C-N 3.32Å; S56-G58 PolarHBondContact O-N 3.24Å; S56-E59 VanDerWaalsContact CB-OE2 3.26Å; S56-E59 WeakPolarHBondContact CB-OE2 3.22Å; S56-E59 PolarHBondContact N-OE2 3.27Å; S56-E59 PolarHBondContact O-N 3.42Å; S56-E59 VanDerWaalsContact OG-CD 3.32Å; S56-E59 VanDerWaalsContact OG-CG 3.29Å; S56-E59 WeakPolarHBondContact OG-CG 3.35Å; S56-E59 PolarHBondContact OG-N 3.32Å; S56-E59 PolarHBondContact OG-OE2 3.17Å; S56-L60 PolarHBondContact O-N 2.82Å; S56-L60 VanDerWaalsContact O-N 3.13Å
57	L	92.5	Very high	89.7	Confident	94 Å²	94	44 Å²	44	49%	0.492	25%	0.246	S	C	.	.	H	α-helix	trans	-59.7	-41.2	177.6	-179	61.3	0	0	0	112.2	E59 L60 L61 L458	L57-E59 VanDerWaalsContact C-N 3.29Å; L57-E59 PolarHBondContact O-N 3.45Å; L57-L60 PolarHBondContact O-N 3.27Å; L57-L61 HydrophobicContact CD1-CD1 4.47Å; L57-L61 HydrophobicContact CD1-CG 4.5Å; L57-L61 HydrophobicContact CG-CD1 4.21Å; L57-L61 WeakPolarHBondContact O-CG 3.22Å; L57-L61 PolarHBondContact O-N 3.16Å; L57-L458 HydrophobicContact CD1-CD1 3.47Å; L57-L458 VanDerWaalsContact CD1-CD1 3.47Å
58	G	93.2	Very high	89.7	Confident	44 Å²	44	44.4 Å²	44.4	45%	0.454	25%	0.247	S	C	.	.	H	α-helix	trans	-63.1	-33.5	177.4	0	0	0	0	0	113.1	S56 R62	S56-G58 VanDerWaalsContact C-N 3.32Å; S56-G58 PolarHBondContact O-N 3.24Å; G58-R62 VanDerWaalsContact O-CB 3.31Å; G58-R62 WeakPolarHBondContact O-CB 3.45Å; G58-R62 PolarHBondContact O-N 3.07Å
59	E	92.4	Very high	89.6	Confident	30 Å²	30	45.4 Å²	45.4	14%	0.14	25%	0.253	C	S	.	.	H	α-helix	trans	-72.9	-37.4	175.4	-71	167	117.3	0	0	112.8	K55 S56 L57 L61 A63 K122	K55-E59 HydrophobicContact CB-CB 4.25Å; K55-E59 HydrophobicContact CD-CB 4.43Å; S56-E59 VanDerWaalsContact CB-OE2 3.26Å; S56-E59 WeakPolarHBondContact CB-OE2 3.22Å; S56-E59 PolarHBondContact N-OE2 3.27Å; S56-E59 PolarHBondContact O-N 3.42Å; S56-E59 VanDerWaalsContact OG-CD 3.32Å; S56-E59 VanDerWaalsContact OG-CG 3.29Å; S56-E59 WeakPolarHBondContact OG-CG 3.35Å; S56-E59 PolarHBondContact OG-N 3.32Å; S56-E59 PolarHBondContact OG-OE2 3.17Å; L57-E59 VanDerWaalsContact C-N 3.29Å; L57-E59 PolarHBondContact O-N 3.45Å; E59-L61 VanDerWaalsContact C-N 3.34Å; E59-A63 VanDerWaalsContact O-CB 3.29Å; E59-A63 WeakPolarHBondContact O-CB 2.95Å; E59-A63 PolarHBondContact O-N 2.87Å; E59-K122 IonicContact OE1-NZ 2.74Å; E59-K122 PolarHBondContact OE1-NZ 3.43Å; E59-K122 IonicContact OE2-NZ 2.7Å; E59-K122 PolarHBondContact OE2-NZ 2.86Å
60	L	92.7	Very high	89.3	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.1	-45.3	172	-62	-178.4	0	0	0	110.7	F52 K55 S56 L57 L64 L454 E457	F52-L60 HydrophobicContact CB-CD2 4.15Å; K55-L60 HydrophobicContact CB-CD2 4.07Å; S56-L60 PolarHBondContact O-N 2.82Å; S56-L60 VanDerWaalsContact O-N 3.13Å; L57-L60 PolarHBondContact O-N 3.27Å; L60-L64 WeakPolarHBondContact O-CB 3.46Å; L60-L64 WeakPolarHBondContact O-CG 3.37Å; L60-L64 PolarHBondContact O-N 3.18Å; L60-L454 HydrophobicContact CD2-CD2 3.41Å; L60-L454 VanDerWaalsContact CD2-CD2 3.41Å; L60-E457 HydrophobicContact CD1-CG 4.04Å
61	L	94.1	Very high	89.2	Confident	96 Å²	96	46.4 Å²	46.4	50%	0.503	26%	0.26	S	S	.	.	H	α-helix	trans	-67	-42.7	179	-66.2	173.3	0	0	0	112	L57 E59 L64 G65 L458	L57-L61 HydrophobicContact CD1-CD1 4.47Å; L57-L61 HydrophobicContact CD1-CG 4.5Å; L57-L61 HydrophobicContact CG-CD1 4.21Å; L57-L61 WeakPolarHBondContact O-CG 3.22Å; L57-L61 PolarHBondContact O-N 3.16Å; E59-L61 VanDerWaalsContact C-N 3.34Å; L61-L64 PolarHBondContact O-N 3.15Å; L61-G65 PolarHBondContact O-N 2.85Å; L61-L458 HydrophobicContact CD2-CD2 4.1Å
62	R	94	Very high	89	Confident	68 Å²	68	50.5 Å²	50.5	26%	0.257	28%	0.275	S	S	.	.	H	α-helix	trans	-60.2	-50.1	175.1	-176.1	170.5	73.3	-116.1	10.2	111.6	G58 L64 G65 V66 P101 T102 A105	G58-R62 VanDerWaalsContact O-CB 3.31Å; G58-R62 WeakPolarHBondContact O-CB 3.45Å; G58-R62 PolarHBondContact O-N 3.07Å; R62-L64 PolarHBondContact O-N 3.24Å; R62-G65 PolarHBondContact O-N 2.92Å; R62-V66 HydrophobicContact CG-CG2 4.38Å; R62-V66 WeakPolarHBondContact O-CG2 3.27Å; R62-V66 PolarHBondContact O-N 2.85Å; R62-P101 WeakPolarHBondContact CD-O 3.49Å; R62-T102 WeakPolarHBondContact CD-O 3.37Å; R62-A105 VanDerWaalsContact CZ-O 3.22Å; R62-A105 PolarHBondContact NE-O 2.89Å; R62-A105 VanDerWaalsContact NE-O 3.08Å; R62-A105 PolarHBondContact NH2-O 3.31Å
63	A	91.4	Very high	88.6	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.008	30%	0.301	C	S	.	.	H	α-helix	trans	-61.3	-44.3	178.7	0	0	0	0	0	111.8	E59 G65 V66 F67 L454	E59-A63 VanDerWaalsContact O-CB 3.29Å; E59-A63 WeakPolarHBondContact O-CB 2.95Å; E59-A63 PolarHBondContact O-N 2.87Å; A63-G65 VanDerWaalsContact C-N 3.35Å; A63-G65 PolarHBondContact O-N 3.19Å; A63-V66 PolarHBondContact O-N 2.97Å; A63-F67 HydrophobicContact CB-CD2 4.47Å; A63-F67 HydrophobicContact CB-CE2 4.19Å; A63-F67 VanDerWaalsContact O-CB 3.26Å; A63-F67 WeakPolarHBondContact O-CB 3.33Å; A63-F67 VanDerWaalsContact O-CD2 3.27Å; A63-F67 WeakPolarHBondContact O-CD2 3.19Å; A63-F67 WeakPolarHBondContact O-CG 3.39Å; A63-F67 PolarHBondContact O-N 3.29Å; A63-L454 HydrophobicContact CB-CD1 3.81Å
64	L	91.6	Very high	88.4	Confident	26 Å²	26	52.9 Å²	52.9	14%	0.136	31%	0.307	C	S	.	.	H	α-helix	trans	-62.3	-38.9	176.2	-73.3	172.4	0	0	0	112.9	L60 L61 R62 H68 R451 L454 R455 L458	L60-L64 WeakPolarHBondContact O-CB 3.46Å; L60-L64 WeakPolarHBondContact O-CG 3.37Å; L60-L64 PolarHBondContact O-N 3.18Å; L61-L64 PolarHBondContact O-N 3.15Å; R62-L64 PolarHBondContact O-N 3.24Å; L64-H68 WeakPolarHBondContact O-CB 3.34Å; L64-H68 PolarHBondContact O-N 3.34Å; L64-R451 HydrophobicContact CD2-CG 3.77Å; L64-R451 WeakPolarHBondContact CD2-O 3.48Å; L64-L454 HydrophobicContact CD2-CB 3.7Å; L64-L454 HydrophobicContact CD2-CD1 4.37Å; L64-L454 HydrophobicContact CG-CB 4.05Å; L64-R455 HydrophobicContact CD2-CG 3.86Å; L64-L458 HydrophobicContact CD1-CD2 3.73Å
65	G	91	Very high	88.1	Confident	37 Å²	37	52.4 Å²	52.4	38%	0.381	30%	0.302	S	S	.	.	H	α-helix	trans	-66.7	-50.3	175.1	0	0	0	0	0	112.6	L61 R62 A63 F67 H68 L69	L61-G65 PolarHBondContact O-N 2.85Å; R62-G65 PolarHBondContact O-N 2.92Å; A63-G65 VanDerWaalsContact C-N 3.35Å; A63-G65 PolarHBondContact O-N 3.19Å; G65-F67 PolarHBondContact O-N 3.19Å; G65-H68 WeakPolarHBondContact O-CB 3.39Å; G65-H68 PolarHBondContact O-N 2.8Å; G65-H68 VanDerWaalsContact O-N 3.14Å; G65-L69 PolarHBondContact O-N 2.93Å
66	V	88.6	Confident	87.7	Confident	5 Å²	5	52.1 Å²	52.1	3%	0.03	30%	0.301	C	S	.	.	H	α-helix	trans	-62.1	-45.2	178.6	173.9	0	0	0	0	111	R62 A63 H68 L69 C70 I103 Q106 F107	R62-V66 HydrophobicContact CG-CG2 4.38Å; R62-V66 WeakPolarHBondContact O-CG2 3.27Å; R62-V66 PolarHBondContact O-N 2.85Å; A63-V66 PolarHBondContact O-N 2.97Å; V66-H68 VanDerWaalsContact C-N 3.26Å; V66-H68 PolarHBondContact O-N 2.87Å; V66-L69 PolarHBondContact O-N 2.83Å; V66-L69 VanDerWaalsContact O-N 3.15Å; V66-C70 PolarHBondContact O-N 3.29Å; V66-C70 PolarHBondContact O-SG 3.33Å; V66-I103 HydrophobicContact CG1-CG1 4.48Å; V66-I103 HydrophobicContact CG2-CG1 4.34Å; V66-Q106 HydrophobicContact CB-CG 4.39Å; V66-Q106 HydrophobicContact CG1-CB 4.5Å; V66-Q106 HydrophobicContact CG1-CG 4.11Å; V66-Q106 HydrophobicContact CG2-CB 4.27Å; V66-F107 HydrophobicContact CG1-CE2 3.73Å; V66-F107 HydrophobicContact CG1-CZ 4.15Å
67	F	86.9	Confident	87.1	Confident	1 Å²	1	52.9 Å²	52.9	0%	0.004	30%	0.3	C	S	.	.	H	α-helix	trans	-67.5	-23.7	176.1	-63.8	-23	0	0	0	113.6	A63 G65 S71 G401 I447 E450 R451 L454	A63-F67 HydrophobicContact CB-CD2 4.47Å; A63-F67 HydrophobicContact CB-CE2 4.19Å; A63-F67 VanDerWaalsContact O-CB 3.26Å; A63-F67 WeakPolarHBondContact O-CB 3.33Å; A63-F67 VanDerWaalsContact O-CD2 3.27Å; A63-F67 WeakPolarHBondContact O-CD2 3.19Å; A63-F67 WeakPolarHBondContact O-CG 3.39Å; A63-F67 PolarHBondContact O-N 3.29Å; G65-F67 PolarHBondContact O-N 3.19Å; F67-S71 PolarHBondContact O-N 2.91Å; F67-G401 WeakPolarHBondContact CZ-O 3.12Å; F67-I447 HydrophobicContact CB-CG2 3.73Å; F67-I447 HydrophobicContact CD1-CG1 4.49Å; F67-I447 HydrophobicContact CD1-CG2 3.88Å; F67-I447 HydrophobicContact CD2-CG2 4.34Å; F67-I447 HydrophobicContact CE1-CG1 4.48Å; F67-I447 HydrophobicContact CG-CG2 3.74Å; F67-E450 HydrophobicContact CE2-CB 4.46Å; F67-E450 HydrophobicContact CE2-CG 3.78Å; F67-E450 WeakPolarHBondContact CE2-OE2 3.43Å; F67-E450 HydrophobicContact CZ-CG 4.4Å; F67-E450 VanDerWaalsContact CZ-OE2 3.29Å; F67-E450 WeakPolarHBondContact CZ-OE2 3.26Å; F67-R451 HydrophobicContact CD2-CB 4.4Å; F67-L454 HydrophobicContact CD2-CD1 3.9Å; F67-L454 HydrophobicContact CE2-CD1 3.7Å
68	H	86.6	Confident	86.7	Confident	102 Å²	102	51.1 Å²	51.1	47%	0.472	29%	0.292	S	S	.	.	H	α-helix	trans	-71.3	-45.9	168.4	-174.2	29.4	0	0	0	111.3	L64 G65 V66 C70 S71 F72	L64-H68 WeakPolarHBondContact O-CB 3.34Å; L64-H68 PolarHBondContact O-N 3.34Å; G65-H68 WeakPolarHBondContact O-CB 3.39Å; G65-H68 PolarHBondContact O-N 2.8Å; G65-H68 VanDerWaalsContact O-N 3.14Å; V66-H68 VanDerWaalsContact C-N 3.26Å; V66-H68 PolarHBondContact O-N 2.87Å; H68-C70 PolarHBondContact O-N 2.91Å; H68-S71 PolarHBondContact ND1-OG 3.47Å; H68-S71 WeakPolarHBondContact O-CB 3.33Å; H68-S71 PolarHBondContact O-N 3.4Å; H68-S71 PolarHBondContact O-OG 2.83Å; H68-F72 AromaticContact CE1-CE2 3.42Å; H68-F72 VanDerWaalsContact CE1-CE2 3.42Å; H68-F72 WeakPolarHBondContact CE1-CE2 3.39Å; H68-F72 AromaticContact CE1-CZ 3.38Å; H68-F72 WeakPolarHBondContact CE1-CZ 3.41Å; H68-F72 AromaticContact ND1-CE2 3.65Å; H68-F72 AromaticContact NE2-CE2 3.87Å; H68-F72 AromaticContact NE2-CZ 3.91Å; H68-F72 WeakPolarHBondContact O-CD2 3.18Å; H68-F72 WeakPolarHBondContact O-CE2 3.46Å
69	L	83.8	Confident	86.1	Confident	80 Å²	80	49.6 Å²	49.6	42%	0.419	27%	0.274	S	S	.	.	H	α-helix	trans	-58.9	-46.3	174.8	-67.3	174.1	0	0	0	111.8	G65 V66 S71 F72 L75	G65-L69 PolarHBondContact O-N 2.93Å; V66-L69 PolarHBondContact O-N 2.83Å; V66-L69 VanDerWaalsContact O-N 3.15Å; L69-S71 PolarHBondContact O-N 3.27Å; L69-S71 VanDerWaalsContact O-N 3.15Å; L69-F72 PolarHBondContact O-N 2.9Å; L69-L75 HydrophobicContact CB-CD2 3.83Å; L69-L75 HydrophobicContact CD2-CD2 4.12Å; L69-L75 WeakPolarHBondContact O-CD2 3.21Å
70	C	80.3	Confident	85.6	Confident	26 Å²	26	49.1 Å²	49.1	18%	0.176	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-16	175	-64.1	0	0	0	0	113.9	V66 H68 F72 V76 L444	V66-C70 PolarHBondContact O-N 3.29Å; V66-C70 PolarHBondContact O-SG 3.33Å; H68-C70 PolarHBondContact O-N 2.91Å; C70-F72 VanDerWaalsContact C-N 3.28Å; C70-F72 PolarHBondContact O-N 3.3Å; C70-V76 WeakPolarHBondContact O-CG2 3.44Å; C70-L444 WeakPolarHBondContact O-CD2 3.49Å
71	S	81.4	Confident	85.3	Confident	52 Å²	52	56.8 Å²	56.8	36%	0.364	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-5.1	177.1	73.5	0	0	0	0	114.5	F67 H68 L69 P73	F67-S71 PolarHBondContact O-N 2.91Å; H68-S71 PolarHBondContact ND1-OG 3.47Å; H68-S71 WeakPolarHBondContact O-CB 3.33Å; H68-S71 PolarHBondContact O-N 3.4Å; H68-S71 PolarHBondContact O-OG 2.83Å; L69-S71 PolarHBondContact O-N 3.27Å; L69-S71 VanDerWaalsContact O-N 3.15Å; S71-P73 WeakPolarHBondContact O-CD 3.48Å
72	F	83.4	Confident	84.9	Confident	100 Å²	100	56 Å²	56	44%	0.439	31%	0.307	S	S	.	.			trans	-97.9	107.6	175.4	-64	-80.3	0	0	0	111.4	H68 L69 C70 V74 L75 V76	H68-F72 AromaticContact CE1-CE2 3.42Å; H68-F72 VanDerWaalsContact CE1-CE2 3.42Å; H68-F72 WeakPolarHBondContact CE1-CE2 3.39Å; H68-F72 AromaticContact CE1-CZ 3.38Å; H68-F72 WeakPolarHBondContact CE1-CZ 3.41Å; H68-F72 AromaticContact ND1-CE2 3.65Å; H68-F72 AromaticContact NE2-CE2 3.87Å; H68-F72 AromaticContact NE2-CZ 3.91Å; H68-F72 WeakPolarHBondContact O-CD2 3.18Å; H68-F72 WeakPolarHBondContact O-CE2 3.46Å; L69-F72 PolarHBondContact O-N 2.9Å; C70-F72 VanDerWaalsContact C-N 3.28Å; C70-F72 PolarHBondContact O-N 3.3Å; F72-V74 VanDerWaalsContact C-N 3.28Å; F72-V74 PolarHBondContact O-N 3.33Å; F72-L75 HydrophobicContact CB-CB 4Å; F72-L75 WeakPolarHBondContact O-CB 3.41Å; F72-L75 PolarHBondContact O-N 3.01Å; F72-L75 VanDerWaalsContact O-N 3.12Å; F72-V76 PolarHBondContact O-N 2.99Å
73	P	80.3	Confident	84.5	Confident	82 Å²	82	53.9 Å²	53.9	53%	0.532	30%	0.3	S	S	.	.	H	α-helix	trans	-62.1	-32.5	-175	-24.8	35.5	0	0	0	113.8	S71 L75 V76 N77	S71-P73 WeakPolarHBondContact O-CD 3.48Å; P73-L75 VanDerWaalsContact C-N 3.35Å; P73-V76 PolarHBondContact O-N 3.22Å; P73-N77 VanDerWaalsContact O-CB 3.23Å; P73-N77 WeakPolarHBondContact O-CB 3.25Å; P73-N77 PolarHBondContact O-N 3.02Å; P73-N77 PolarHBondContact O-ND2 3.23Å
74	V	83.1	Confident	84.3	Confident	112 Å²	112	58.1 Å²	58.1	68%	0.679	33%	0.326	S	S	*	.	H	α-helix	trans	-64.2	-40	177.7	-178.6	0	0	0	0	111.4	F72 N78	F72-V74 VanDerWaalsContact C-N 3.28Å; F72-V74 PolarHBondContact O-N 3.33Å; V74-N78 WeakPolarHBondContact O-CB 3.37Å; V74-N78 PolarHBondContact O-N 3.06Å; V74-N78 PolarHBondContact O-ND2 3.4Å
75	L	82.7	Confident	84.1	Confident	71 Å²	71	59.1 Å²	59.1	37%	0.372	34%	0.338	S	S	.	.	H	α-helix	trans	-66.9	-47.8	177.3	-167.7	82.3	0	0	0	110.6	L69 F72 P73 N78 C79 L82	L69-L75 HydrophobicContact CB-CD2 3.83Å; L69-L75 HydrophobicContact CD2-CD2 4.12Å; L69-L75 WeakPolarHBondContact O-CD2 3.21Å; F72-L75 HydrophobicContact CB-CB 4Å; F72-L75 WeakPolarHBondContact O-CB 3.41Å; F72-L75 PolarHBondContact O-N 3.01Å; F72-L75 VanDerWaalsContact O-N 3.12Å; P73-L75 VanDerWaalsContact C-N 3.35Å; L75-N78 CarbonylContact O-C 3.57Å; L75-N78 PolarHBondContact O-N 3.41Å; L75-C79 WeakPolarHBondContact O-CA 3.47Å; L75-C79 WeakPolarHBondContact O-CB 3.35Å; L75-C79 PolarHBondContact O-N 2.81Å; L75-L82 HydrophobicContact CD1-CD1 3.79Å; L75-L82 HydrophobicContact CG-CD1 4.39Å
76	V	80.1	Confident	83.9	Confident	10 Å²	10	58.7 Å²	58.7	6%	0.061	33%	0.33	C	S	.	.	H	α-helix	trans	-64.8	-48.2	-179.2	173.5	0	0	0	0	111.7	C70 F72 P73 N78 C79 A437	C70-V76 WeakPolarHBondContact O-CG2 3.44Å; F72-V76 PolarHBondContact O-N 2.99Å; P73-V76 PolarHBondContact O-N 3.22Å; V76-N78 PolarHBondContact O-N 3.5Å; V76-C79 WeakPolarHBondContact O-CB 3.33Å; V76-C79 PolarHBondContact O-N 3.24Å; V76-C79 PolarHBondContact O-SG 3.03Å; V76-A437 HydrophobicContact CG1-CB 4.41Å; V76-A437 WeakPolarHBondContact CG1-O 3.14Å
77	N	79.9	Confident	83.9	Confident	73 Å²	73	62.2 Å²	62.2	39%	0.39	34%	0.343	S	S	.	.	H	α-helix	trans	-65.6	-24.6	-178.4	-72.9	-26	0	0	0	113.1	P73 R441	P73-N77 VanDerWaalsContact O-CB 3.23Å; P73-N77 WeakPolarHBondContact O-CB 3.25Å; P73-N77 PolarHBondContact O-N 3.02Å; P73-N77 PolarHBondContact O-ND2 3.23Å; N77-R441 PolarHBondContact OD1-NE 2.87Å; N77-R441 PolarHBondContact OD1-NH2 2.87Å
78	N	83	Confident	84.1	Confident	58 Å²	58	67.6 Å²	67.6	31%	0.31	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	8.9	178.1	-65.1	-79.2	0	0	0	113.6	V74 L75 V76 G80 K81 L82	V74-N78 WeakPolarHBondContact O-CB 3.37Å; V74-N78 PolarHBondContact O-N 3.06Å; V74-N78 PolarHBondContact O-ND2 3.4Å; L75-N78 CarbonylContact O-C 3.57Å; L75-N78 PolarHBondContact O-N 3.41Å; V76-N78 PolarHBondContact O-N 3.5Å; N78-G80 VanDerWaalsContact C-N 3.34Å; N78-G80 PolarHBondContact O-N 2.66Å; N78-K81 WeakPolarHBondContact O-CB 3.4Å; N78-K81 PolarHBondContact O-N 3.29Å; N78-L82 HydrophobicContact CB-CD1 4.06Å; N78-L82 HydrophobicContact CB-CG 4.15Å; N78-L82 WeakPolarHBondContact O-CG 3.46Å; N78-L82 PolarHBondContact O-N 3.48Å
79	C	81.8	Confident	84.4	Confident	11 Å²	11	69.4 Å²	69.4	7%	0.074	39%	0.388	C	S	.	.	H	α-helix	trans	-54.4	-44.1	-167.6	60.9	0	0	0	0	113.6	L75 V76 K81 L82 M83	L75-C79 WeakPolarHBondContact O-CA 3.47Å; L75-C79 WeakPolarHBondContact O-CB 3.35Å; L75-C79 PolarHBondContact O-N 2.81Å; V76-C79 WeakPolarHBondContact O-CB 3.33Å; V76-C79 PolarHBondContact O-N 3.24Å; V76-C79 PolarHBondContact O-SG 3.03Å; C79-K81 PolarHBondContact O-N 3.04Å; C79-L82 PolarHBondContact O-N 2.83Å; C79-M83 WeakPolarHBondContact O-CB 3.28Å; C79-M83 WeakPolarHBondContact O-CG 3.43Å; C79-M83 PolarHBondContact O-N 3.05Å
80	G	81.8	Confident	84.7	Confident	21 Å²	21	69.5 Å²	69.5	22%	0.216	39%	0.389	C	S	.	.	H	α-helix	trans	-59.4	-46.1	175	0	0	0	0	0	113.4	N78 L82 M83 T84	N78-G80 VanDerWaalsContact C-N 3.34Å; N78-G80 PolarHBondContact O-N 2.66Å; G80-L82 VanDerWaalsContact C-N 3.35Å; G80-L82 PolarHBondContact O-N 3.33Å; G80-M83 PolarHBondContact O-N 3.3Å; G80-T84 PolarHBondContact O-N 2.96Å; G80-T84 PolarHBondContact O-OG1 3.08Å; G80-T84 VanDerWaalsContact O-OG1 3.12Å
81	K	85.6	Confident	85.3	Confident	160 Å²	160	69.9 Å²	69.9	70%	0.696	40%	0.396	S	S	*	.	H	α-helix	trans	-62.4	-41.9	176.4	-65.9	-179.2	178.5	177.9	0	111.8	N78 C79 T84 A85	N78-K81 WeakPolarHBondContact O-CB 3.4Å; N78-K81 PolarHBondContact O-N 3.29Å; C79-K81 PolarHBondContact O-N 3.04Å; K81-T84 PolarHBondContact O-N 3.38Å; K81-A85 WeakPolarHBondContact O-CB 3.48Å; K81-A85 PolarHBondContact O-N 3.41Å
82	L	86.7	Confident	85.5	Confident	81 Å²	81	74.8 Å²	74.8	42%	0.424	41%	0.407	S	S	.	.	H	α-helix	trans	-68.2	-39.3	178.9	-66.8	170.7	0	0	0	112	L75 N78 C79 G80 A85 A86	L75-L82 HydrophobicContact CD1-CD1 3.79Å; L75-L82 HydrophobicContact CG-CD1 4.39Å; N78-L82 HydrophobicContact CB-CD1 4.06Å; N78-L82 HydrophobicContact CB-CG 4.15Å; N78-L82 WeakPolarHBondContact O-CG 3.46Å; N78-L82 PolarHBondContact O-N 3.48Å; C79-L82 PolarHBondContact O-N 2.83Å; G80-L82 VanDerWaalsContact C-N 3.35Å; G80-L82 PolarHBondContact O-N 3.33Å; L82-A85 PolarHBondContact O-N 2.83Å; L82-A86 VanDerWaalsContact O-CB 3.28Å; L82-A86 WeakPolarHBondContact O-CB 3.33Å; L82-A86 PolarHBondContact O-N 3.43Å
83	M	85.4	Confident	85.8	Confident	23 Å²	23	80.6 Å²	80.6	11%	0.113	43%	0.426	C	S	.	.	H	α-helix	trans	-65.5	-43.8	174.4	-73.4	166.8	171	0	0	111.1	C79 G80 A86 R87 F95 I103 L430 V434	C79-M83 WeakPolarHBondContact O-CB 3.28Å; C79-M83 WeakPolarHBondContact O-CG 3.43Å; C79-M83 PolarHBondContact O-N 3.05Å; G80-M83 PolarHBondContact O-N 3.3Å; M83-A86 PolarHBondContact O-N 3.41Å; M83-R87 VanDerWaalsContact O-CB 3.23Å; M83-R87 WeakPolarHBondContact O-CB 3.31Å; M83-R87 PolarHBondContact O-N 3.46Å; M83-F95 HydrophobicContact CB-CE2 4.23Å; M83-F95 HydrophobicContact CB-CZ 3.98Å; M83-F95 HydrophobicContact CG-CE2 4.33Å; M83-F95 HydrophobicContact CG-CZ 4.06Å; M83-I103 HydrophobicContact CE-CD1 4.41Å; M83-L430 HydrophobicContact CE-CD1 4.39Å; M83-L430 HydrophobicContact CG-CD1 4.44Å; M83-L430 HydrophobicContact SD-CD1 3.67Å; M83-L430 HydrophobicContact SD-CG 4.34Å; M83-V434 HydrophobicContact SD-CG2 3.53Å; M83-V434 VanDerWaalsContact SD-CG2 3.53Å
84	T	85.6	Confident	86.3	Confident	90 Å²	90	78 Å²	78	55%	0.552	42%	0.415	S	S	*	.	H	α-helix	trans	-59.4	-49	172.6	-60.8	0	0	0	0	111.5	G80 K81 A86 R87 T88	G80-T84 PolarHBondContact O-N 2.96Å; G80-T84 PolarHBondContact O-OG1 3.08Å; G80-T84 VanDerWaalsContact O-OG1 3.12Å; K81-T84 PolarHBondContact O-N 3.38Å; T84-A86 PolarHBondContact O-N 2.89Å; T84-R87 PolarHBondContact O-N 2.92Å; T84-T88 PolarHBondContact O-N 2.96Å; T84-T88 PolarHBondContact O-OG1 2.89Å; T84-T88 VanDerWaalsContact O-OG1 3.1Å
85	A	88.6	Confident	86.6	Confident	47 Å²	47	73 Å²	73	39%	0.388	38%	0.383	S	S	.	.	H	α-helix	trans	-60.6	-44.7	178	0	0	0	0	0	112.4	K81 L82 R87 T88 I89	K81-A85 WeakPolarHBondContact O-CB 3.48Å; K81-A85 PolarHBondContact O-N 3.41Å; L82-A85 PolarHBondContact O-N 2.83Å; A85-R87 VanDerWaalsContact C-N 3.35Å; A85-R87 PolarHBondContact O-N 3.39Å; A85-T88 PolarHBondContact O-N 3.39Å; A85-I89 VanDerWaalsContact O-CG1 3.31Å; A85-I89 WeakPolarHBondContact O-CG1 3.3Å; A85-I89 PolarHBondContact O-N 3.3Å
86	A	87.5	Confident	86.9	Confident	27 Å²	27	70.9 Å²	70.9	22%	0.223	38%	0.375	C	S	.	.	H	α-helix	trans	-63.8	-37.8	176	0	0	0	0	0	112.4	L82 M83 T84 I89 L90 F95	L82-A86 VanDerWaalsContact O-CB 3.28Å; L82-A86 WeakPolarHBondContact O-CB 3.33Å; L82-A86 PolarHBondContact O-N 3.43Å; M83-A86 PolarHBondContact O-N 3.41Å; T84-A86 PolarHBondContact O-N 2.89Å; A86-I89 PolarHBondContact O-N 3.45Å; A86-L90 VanDerWaalsContact O-CB 3.26Å; A86-L90 WeakPolarHBondContact O-CB 3.26Å; A86-L90 WeakPolarHBondContact O-CG 3.4Å; A86-L90 PolarHBondContact O-N 3.27Å; A86-F95 HydrophobicContact CB-CD2 3.91Å; A86-F95 HydrophobicContact CB-CE2 4.05Å
87	R	87.6	Confident	87.4	Confident	79 Å²	79	76.8 Å²	76.8	30%	0.298	41%	0.405	S	S	.	.	H	α-helix	trans	-68.2	-33.5	175.8	-167.1	176.1	-175.4	-138.5	-0.3	112.2	M83 T84 A85 G91 F95 D427	M83-R87 VanDerWaalsContact O-CB 3.23Å; M83-R87 WeakPolarHBondContact O-CB 3.31Å; M83-R87 PolarHBondContact O-N 3.46Å; T84-R87 PolarHBondContact O-N 2.92Å; A85-R87 VanDerWaalsContact C-N 3.35Å; A85-R87 PolarHBondContact O-N 3.39Å; R87-G91 CarbonylContact O-C 3.45Å; R87-G91 WeakPolarHBondContact O-CA 3.47Å; R87-G91 PolarHBondContact O-N 3.39Å; R87-F95 HydrophobicContact CB-CB 4.41Å; R87-F95 HydrophobicContact CB-CD1 4.38Å; R87-F95 HydrophobicContact CB-CD2 4.26Å; R87-F95 HydrophobicContact CB-CG 4.09Å; R87-F95 HydrophobicContact CG-CB 4.45Å; R87-F95 HydrophobicContact CG-CD1 4.3Å; R87-F95 HydrophobicContact CG-CG 4.33Å; R87-D427 IonicContact CZ-OD1 3.24Å; R87-D427 IonicContact CZ-OD2 3.71Å; R87-D427 IonicContact NE-OD1 3.83Å; R87-D427 PolarHBondContact NE-OD1 2.91Å; R87-D427 IonicContact NH2-OD1 3.97Å; R87-D427 PolarHBondContact NH2-OD1 3.12Å; R87-D427 IonicContact NH2-OD2 2.68Å; R87-D427 PolarHBondContact NH2-OD2 3.48Å
88	T	90.3	Very high	87.9	Confident	115 Å²	115	78.1 Å²	78.1	71%	0.706	41%	0.412	S	S	*	.	H	α-helix	trans	-69.3	-41.3	171.8	-58.4	0	0	0	0	112.1	T84 A85	T84-T88 PolarHBondContact O-N 2.96Å; T84-T88 PolarHBondContact O-OG1 2.89Å; T84-T88 VanDerWaalsContact O-OG1 3.1Å; A85-T88 PolarHBondContact O-N 3.39Å
89	I	93	Very high	88.1	Confident	140 Å²	140	75.9 Å²	75.9	72%	0.718	40%	0.4	S	S	*	.	H	α-helix	trans	-76.7	-42.5	-177.5	-66.7	164.5	0	0	0	112.3	A85 A86	A85-I89 VanDerWaalsContact O-CG1 3.31Å; A85-I89 WeakPolarHBondContact O-CG1 3.3Å; A85-I89 PolarHBondContact O-N 3.3Å; A86-I89 PolarHBondContact O-N 3.45Å
90	L	91.9	Very high	88.6	Confident	82 Å²	82	78.3 Å²	78.3	43%	0.429	41%	0.407	S	S	.	.	H	α-helix	trans	-95.3	-8.8	-174.4	-57.1	173.9	0	0	0	113.7	A86 G94 L98	A86-L90 VanDerWaalsContact O-CB 3.26Å; A86-L90 WeakPolarHBondContact O-CB 3.26Å; A86-L90 WeakPolarHBondContact O-CG 3.4Å; A86-L90 PolarHBondContact O-N 3.27Å; L90-G94 WeakPolarHBondContact O-CA 3.36Å; L90-G94 PolarHBondContact O-N 3.28Å; L90-L98 HydrophobicContact CD1-CD2 3.94Å
91	G	90.9	Very high	89	Confident	33 Å²	33	81.1 Å²	81.1	34%	0.34	42%	0.422	S	S	.	.	H	α-helix	trans	64.7	169.7	-167	0	0	0	0	0	113.3	R87 R93 G94 F95	R87-G91 CarbonylContact O-C 3.45Å; R87-G91 WeakPolarHBondContact O-CA 3.47Å; R87-G91 PolarHBondContact O-N 3.39Å; G91-R93 VanDerWaalsContact C-N 3.3Å; G91-R93 PolarHBondContact O-N 3.21Å; G91-G94 PolarHBondContact O-N 3.35Å; G91-F95 VanDerWaalsContact O-CB 3.26Å; G91-F95 WeakPolarHBondContact O-CB 3.47Å; G91-F95 PolarHBondContact O-N 2.94Å
92	R	87.3	Confident	89.2	Confident	156 Å²	156	76 Å²	76	59%	0.589	40%	0.404	S	S	*	.	H	α-helix	trans	-55.2	-42.6	180	-66	-164	-170.8	-154.4	15.7	112.7	S96 D427	R92-S96 VanDerWaalsContact O-CB 3.28Å; R92-S96 WeakPolarHBondContact O-CB 3.15Å; R92-S96 PolarHBondContact O-N 2.95Å; R92-D427 WeakPolarHBondContact CD-OD2 3.45Å; R92-D427 IonicContact CZ-OD2 2.94Å; R92-D427 IonicContact NE-OD2 2.74Å; R92-D427 IonicContact NH1-OD2 3.3Å; R92-D427 PolarHBondContact NH1-OD2 3.14Å
93	R	89.3	Confident	89.2	Confident	222 Å²	222	74 Å²	74	84%	0.838	39%	0.393	S	S	*	.	H	α-helix	trans	-68.1	-49.2	-178.5	-69.6	-176.7	179.5	170	0.2	112.6	G91 S96 L97	G91-R93 VanDerWaalsContact C-N 3.3Å; G91-R93 PolarHBondContact O-N 3.21Å; R93-S96 PolarHBondContact O-N 3.28Å; R93-L97 WeakPolarHBondContact O-CG 3.31Å; R93-L97 PolarHBondContact O-N 3.22Å
94	G	90.6	Very high	89.5	Confident	28 Å²	28	73.3 Å²	73.3	29%	0.289	39%	0.389	S	S	.	.	H	α-helix	trans	-65.6	-39.4	179.4	0	0	0	0	0	112.6	L90 G91 L97 L98	L90-G94 WeakPolarHBondContact O-CA 3.36Å; L90-G94 PolarHBondContact O-N 3.28Å; G91-G94 PolarHBondContact O-N 3.35Å; G94-L97 PolarHBondContact O-N 3.26Å; G94-L98 PolarHBondContact O-N 3.14Å
95	F	90.1	Very high	89.7	Confident	6 Å²	6	70.7 Å²	70.7	3%	0.026	38%	0.377	C	S	.	.	H	α-helix	trans	-62.5	-44.7	173.4	-178.9	-102	0	0	0	112.4	M83 A86 R87 G91 L98 L99 V426 L430	M83-F95 HydrophobicContact CB-CE2 4.23Å; M83-F95 HydrophobicContact CB-CZ 3.98Å; M83-F95 HydrophobicContact CG-CE2 4.33Å; M83-F95 HydrophobicContact CG-CZ 4.06Å; A86-F95 HydrophobicContact CB-CD2 3.91Å; A86-F95 HydrophobicContact CB-CE2 4.05Å; R87-F95 HydrophobicContact CB-CB 4.41Å; R87-F95 HydrophobicContact CB-CD1 4.38Å; R87-F95 HydrophobicContact CB-CD2 4.26Å; R87-F95 HydrophobicContact CB-CG 4.09Å; R87-F95 HydrophobicContact CG-CB 4.45Å; R87-F95 HydrophobicContact CG-CD1 4.3Å; R87-F95 HydrophobicContact CG-CG 4.33Å; G91-F95 VanDerWaalsContact O-CB 3.26Å; G91-F95 WeakPolarHBondContact O-CB 3.47Å; G91-F95 PolarHBondContact O-N 2.94Å; F95-L98 PolarHBondContact O-N 3.19Å; F95-L99 HydrophobicContact CE1-CD2 4.07Å; F95-L99 HydrophobicContact CZ-CD1 4.45Å; F95-L99 HydrophobicContact CZ-CD2 4.15Å; F95-L99 WeakPolarHBondContact O-CB 3.4Å; F95-L99 PolarHBondContact O-N 2.68Å; F95-V426 HydrophobicContact CD1-CG1 4.2Å; F95-V426 HydrophobicContact CE1-CG1 4.05Å; F95-L430 HydrophobicContact CE1-CD1 4.19Å; F95-L430 HydrophobicContact CE1-CD2 4.25Å; F95-L430 HydrophobicContact CZ-CD1 4.13Å; F95-L430 HydrophobicContact CZ-CD2 4.45Å
96	S	88.6	Confident	89.8	Confident	27 Å²	27	68.9 Å²	68.9	19%	0.189	36%	0.361	C	S	.	.	H	α-helix	trans	-62.2	-43.7	177.1	-176.2	0	0	0	0	112.4	R92 R93 L98 L99 R100	R92-S96 VanDerWaalsContact O-CB 3.28Å; R92-S96 WeakPolarHBondContact O-CB 3.15Å; R92-S96 PolarHBondContact O-N 2.95Å; R93-S96 PolarHBondContact O-N 3.28Å; S96-L98 VanDerWaalsContact C-N 3.26Å; S96-L98 PolarHBondContact O-N 2.79Å; S96-L99 PolarHBondContact O-N 3.27Å; S96-R100 WeakPolarHBondContact O-CB 3.38Å; S96-R100 WeakPolarHBondContact O-CG 3.46Å; S96-R100 PolarHBondContact O-N 3.1Å
97	L	90.3	Very high	90	Very high	134 Å²	134	69 Å²	69	70%	0.702	36%	0.356	S	S	*	.	H	α-helix	trans	-60.2	-33.2	175.7	-73.2	169.2	0	0	0	113.1	R93 G94 P101	R93-L97 WeakPolarHBondContact O-CG 3.31Å; R93-L97 PolarHBondContact O-N 3.22Å; G94-L97 PolarHBondContact O-N 3.26Å; L97-P101 WeakPolarHBondContact O-CD 3.31Å
98	L	89.4	Confident	90.2	Very high	101 Å²	101	65.6 Å²	65.6	53%	0.529	34%	0.344	S	S	.	.	H	α-helix	trans	-77	-40.9	175.5	-176.8	65.3	0	0	0	112.6	L90 G94 F95 S96 T102	L90-L98 HydrophobicContact CD1-CD2 3.94Å; G94-L98 PolarHBondContact O-N 3.14Å; F95-L98 PolarHBondContact O-N 3.19Å; S96-L98 VanDerWaalsContact C-N 3.26Å; S96-L98 PolarHBondContact O-N 2.79Å; L98-T102 PolarHBondContact O-OG1 2.86Å
99	L	88.6	Confident	90.3	Very high	11 Å²	11	60.4 Å²	60.4	6%	0.058	31%	0.313	C	S	.	.	H	α-helix	trans	-81.1	-38.8	-173.1	-157	77.2	0	0	0	113.3	F95 S96 T102 I103 Y104 V426 L430	F95-L99 HydrophobicContact CE1-CD2 4.07Å; F95-L99 HydrophobicContact CZ-CD1 4.45Å; F95-L99 HydrophobicContact CZ-CD2 4.15Å; F95-L99 WeakPolarHBondContact O-CB 3.4Å; F95-L99 PolarHBondContact O-N 2.68Å; S96-L99 PolarHBondContact O-N 3.27Å; L99-T102 PolarHBondContact O-N 2.87Å; L99-T102 VanDerWaalsContact O-N 3.09Å; L99-T102 PolarHBondContact O-OG1 2.92Å; L99-I103 HydrophobicContact CD1-CB 4.02Å; L99-I103 HydrophobicContact CD1-CD1 4.21Å; L99-I103 HydrophobicContact CD1-CG1 4.43Å; L99-I103 HydrophobicContact CG-CB 4.49Å; L99-I103 PolarHBondContact O-N 3.02Å; L99-Y104 VanDerWaalsContact O-CB 3.29Å; L99-Y104 WeakPolarHBondContact O-CB 3.16Å; L99-Y104 PolarHBondContact O-N 3.43Å; L99-V426 HydrophobicContact CD2-CG1 3.86Å; L99-L430 HydrophobicContact CD2-CD1 3.95Å
100	R	90.8	Very high	90.2	Very high	61 Å²	61	53.8 Å²	53.8	23%	0.23	28%	0.279	C	S	.	.	I	π-helix	trans	-47.1	-57.8	179.9	-85	-172.1	108.7	102.2	-7.8	113.1	S96 T102 Y104 A105 E111 E115 V426	S96-R100 WeakPolarHBondContact O-CB 3.38Å; S96-R100 WeakPolarHBondContact O-CG 3.46Å; S96-R100 PolarHBondContact O-N 3.1Å; R100-T102 PolarHBondContact O-N 2.79Å; R100-Y104 HydrophobicContact CG-CD1 4.33Å; R100-A105 WeakPolarHBondContact O-CB 3.35Å; R100-A105 PolarHBondContact O-N 3.43Å; R100-E111 IonicContact CZ-OE2 3.61Å; R100-E111 VanDerWaalsContact CZ-OE2 3.28Å; R100-E111 VanDerWaalsContact NH1-CD 3.31Å; R100-E111 IonicContact NH1-OE1 3.23Å; R100-E111 PolarHBondContact NH1-OE1 3.46Å; R100-E111 IonicContact NH1-OE2 2.71Å; R100-E111 PolarHBondContact NH1-OE2 3.4Å; R100-E111 IonicContact NH2-OE2 2.98Å; R100-E111 PolarHBondContact NH2-OE2 2.84Å; R100-E115 IonicContact NH2-OE1 2.87Å; R100-E115 PolarHBondContact NH2-OE1 3.37Å; R100-E115 IonicContact NH2-OE2 2.8Å; R100-E115 PolarHBondContact NH2-OE2 3.46Å; R100-V426 HydrophobicContact CG-CG2 3.89Å
101	P	90.6	Very high	90.2	Very high	80 Å²	80	53.5 Å²	53.5	52%	0.519	28%	0.276	S	S	.	.	I	π-helix	trans	-75.6	-5.5	-176.3	30.7	-36.3	0	0	0	114.5	R62 L97	R62-P101 WeakPolarHBondContact CD-O 3.49Å; L97-P101 WeakPolarHBondContact O-CD 3.31Å
102	T	89.9	Confident	90.2	Very high	53 Å²	53	54.9 Å²	54.9	33%	0.325	28%	0.275	S	S	.	.	I	π-helix	trans	-113.2	-96.1	-171.3	58.4	0	0	0	0	112.5	R62 L98 L99 R100 Q106	R62-T102 WeakPolarHBondContact CD-O 3.37Å; L98-T102 PolarHBondContact O-OG1 2.86Å; L99-T102 PolarHBondContact O-N 2.87Å; L99-T102 VanDerWaalsContact O-N 3.09Å; L99-T102 PolarHBondContact O-OG1 2.92Å; R100-T102 PolarHBondContact O-N 2.79Å; T102-Q106 PolarHBondContact O-N 3Å
103	I	87.1	Confident	90.3	Very high	39 Å²	39	50.6 Å²	50.6	20%	0.2	26%	0.262	C	S	.	.	I	π-helix	trans	-73	-39.9	-175.3	-63.2	177	0	0	0	110.4	V66 M83 L99 Q106 F107 L433	V66-I103 HydrophobicContact CG1-CG1 4.48Å; V66-I103 HydrophobicContact CG2-CG1 4.34Å; M83-I103 HydrophobicContact CE-CD1 4.41Å; L99-I103 HydrophobicContact CD1-CB 4.02Å; L99-I103 HydrophobicContact CD1-CD1 4.21Å; L99-I103 HydrophobicContact CD1-CG1 4.43Å; L99-I103 HydrophobicContact CG-CB 4.49Å; L99-I103 PolarHBondContact O-N 3.02Å; I103-Q106 WeakPolarHBondContact O-CB 3.46Å; I103-Q106 PolarHBondContact O-N 2.82Å; I103-Q106 VanDerWaalsContact O-N 3.16Å; I103-F107 HydrophobicContact CG2-CD2 3.86Å; I103-F107 HydrophobicContact CG2-CE2 4.2Å; I103-F107 WeakPolarHBondContact O-CD2 3.31Å; I103-F107 PolarHBondContact O-N 3.45Å; I103-L433 HydrophobicContact CG2-CD1 4.48Å; I103-L433 HydrophobicContact CG2-CD2 4.42Å
104	Y	90.9	Very high	90.4	Very high	8 Å²	8	46.7 Å²	46.7	3%	0.031	26%	0.255	C	S	.	.	I	π-helix	trans	-61	-57.1	-179.7	179.5	-88.9	0	0	0	110.8	L99 R100 Q106 F107 V108 G110 E111 G424 V426	L99-Y104 VanDerWaalsContact O-CB 3.29Å; L99-Y104 WeakPolarHBondContact O-CB 3.16Å; L99-Y104 PolarHBondContact O-N 3.43Å; R100-Y104 HydrophobicContact CG-CD1 4.33Å; Y104-Q106 PolarHBondContact O-N 3.28Å; Y104-F107 PolarHBondContact O-N 2.84Å; Y104-V108 HydrophobicContact CD1-CB 4.38Å; Y104-V108 HydrophobicContact CD2-CB 3.94Å; Y104-V108 HydrophobicContact CD2-CG1 4.17Å; Y104-V108 HydrophobicContact CD2-CG2 3.78Å; Y104-V108 HydrophobicContact CE1-CB 4.31Å; Y104-V108 HydrophobicContact CE1-CG1 4.31Å; Y104-V108 HydrophobicContact CE2-CB 3.88Å; Y104-V108 HydrophobicContact CE2-CG1 3.59Å; Y104-V108 HydrophobicContact CE2-CG2 4.03Å; Y104-V108 HydrophobicContact CG-CB 4.19Å; Y104-V108 HydrophobicContact CG-CG2 4.26Å; Y104-V108 WeakPolarHBondContact O-CB 3.48Å; Y104-V108 PolarHBondContact O-N 2.81Å; Y104-G110 WeakPolarHBondContact OH-CA 3.26Å; Y104-G110 PolarHBondContact OH-O 2.81Å; Y104-E111 PolarHBondContact OH-N 2.83Å; Y104-E111 VanDerWaalsContact OH-N 3.12Å; Y104-G424 PolarHBondContact OH-O 3.23Å; Y104-V426 HydrophobicContact CD2-CG2 3.73Å; Y104-V426 HydrophobicContact CE2-CG2 3.93Å; Y104-V426 HydrophobicContact CG-CG2 4.21Å
105	A	91.3	Very high	90.5	Very high	35 Å²	35	48.2 Å²	48.2	29%	0.289	25%	0.254	S	S	.	.	H	α-helix	trans	-66.7	-1	176	0	0	0	0	0	115.2	R62 R100	R62-A105 VanDerWaalsContact CZ-O 3.22Å; R62-A105 PolarHBondContact NE-O 2.89Å; R62-A105 VanDerWaalsContact NE-O 3.08Å; R62-A105 PolarHBondContact NH2-O 3.31Å; R100-A105 WeakPolarHBondContact O-CB 3.35Å; R100-A105 PolarHBondContact O-N 3.43Å
106	Q	90.7	Very high	90.7	Very high	10 Å²	10	48 Å²	48	5%	0.047	25%	0.254	C	S	.	.	H	α-helix	trans	-90.9	-30.1	168.8	178.7	62.4	21.3	0	0	112.3	V66 T102 I103 Y104 G401	V66-Q106 HydrophobicContact CB-CG 4.39Å; V66-Q106 HydrophobicContact CG1-CB 4.5Å; V66-Q106 HydrophobicContact CG1-CG 4.11Å; V66-Q106 HydrophobicContact CG2-CB 4.27Å; T102-Q106 PolarHBondContact O-N 3Å; I103-Q106 WeakPolarHBondContact O-CB 3.46Å; I103-Q106 PolarHBondContact O-N 2.82Å; I103-Q106 VanDerWaalsContact O-N 3.16Å; Y104-Q106 PolarHBondContact O-N 3.28Å; Q106-G401 PolarHBondContact NE2-O 3.43Å; Q106-G401 WeakPolarHBondContact O-CA 3.42Å
107	F	90.9	Very high	90.8	Very high	29 Å²	29	48.3 Å²	48.3	13%	0.127	26%	0.256	C	S	.	.	H	α-helix	trans	-127	-10.6	-167.2	-64.3	-63.6	0	0	0	115.1	V66 I103 Y104 L400 G401 M402 P422 L433	V66-F107 HydrophobicContact CG1-CE2 3.73Å; V66-F107 HydrophobicContact CG1-CZ 4.15Å; I103-F107 HydrophobicContact CG2-CD2 3.86Å; I103-F107 HydrophobicContact CG2-CE2 4.2Å; I103-F107 WeakPolarHBondContact O-CD2 3.31Å; I103-F107 PolarHBondContact O-N 3.45Å; Y104-F107 PolarHBondContact O-N 2.84Å; F107-L400 WeakPolarHBondContact CD1-O 3.31Å; F107-G401 WeakPolarHBondContact CE1-O 3.33Å; F107-M402 HydrophobicContact CD1-CG 4.49Å; F107-M402 HydrophobicContact CE1-CG 3.83Å; F107-P422 VanDerWaalsContact O-CD 3.25Å; F107-P422 WeakPolarHBondContact O-CD 3.49Å; F107-P422 WeakPolarHBondContact O-CG 3.36Å; F107-L433 HydrophobicContact CB-CD2 3.51Å; F107-L433 HydrophobicContact CD2-CD2 4.16Å; F107-L433 HydrophobicContact CG-CD2 4.17Å
108	V	92.2	Very high	90.9	Very high	7 Å²	7	48.7 Å²	48.7	4%	0.042	25%	0.254	C	S	.	.			trans	-122.8	145	-176.8	-169.7	0	0	0	0	109.9	Y104 P422 T429 L433	Y104-V108 HydrophobicContact CD1-CB 4.38Å; Y104-V108 HydrophobicContact CD2-CB 3.94Å; Y104-V108 HydrophobicContact CD2-CG1 4.17Å; Y104-V108 HydrophobicContact CD2-CG2 3.78Å; Y104-V108 HydrophobicContact CE1-CB 4.31Å; Y104-V108 HydrophobicContact CE1-CG1 4.31Å; Y104-V108 HydrophobicContact CE2-CB 3.88Å; Y104-V108 HydrophobicContact CE2-CG1 3.59Å; Y104-V108 HydrophobicContact CE2-CG2 4.03Å; Y104-V108 HydrophobicContact CG-CB 4.19Å; Y104-V108 HydrophobicContact CG-CG2 4.26Å; Y104-V108 WeakPolarHBondContact O-CB 3.48Å; Y104-V108 PolarHBondContact O-N 2.81Å; V108-P422 WeakPolarHBondContact CA-O 3.23Å; V108-P422 WeakPolarHBondContact CG1-O 3.16Å; V108-P422 HydrophobicContact CG2-CG 4.22Å; V108-T429 HydrophobicContact CG1-CG2 3.89Å; V108-T429 HydrophobicContact CG2-CG2 4.33Å; V108-L433 HydrophobicContact CG2-CD1 4.14Å; V108-L433 HydrophobicContact CG2-CD2 4.06Å; V108-L433 HydrophobicContact CG2-CG 4.38Å
109	A	91.9	Very high	91.1	Very high	6 Å²	6	46.1 Å²	46.1	5%	0.05	24%	0.244	C	C	.	.			trans	-66.1	-39.6	178.6	0	0	0	0	0	114.8	I116 S119 M120 V421 P422	A109-I116 HydrophobicContact CB-CG1 4.16Å; A109-S119 WeakPolarHBondContact O-CB 3.44Å; A109-S119 PolarHBondContact O-OG 3.25Å; A109-M120 HydrophobicContact CB-CE 3.27Å; A109-V421 HydrophobicContact CB-CG1 3.63Å; A109-P422 PolarHBondContact N-O 3.44Å
110	G	91.8	Very high	91.3	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.01	24%	0.241	C	C	.	.			trans	142.2	168	-158.7	0	0	0	0	0	111.7	Y104 E115 G424	Y104-G110 WeakPolarHBondContact OH-CA 3.26Å; Y104-G110 PolarHBondContact OH-O 2.81Å; G110-E115 WeakPolarHBondContact CA-OE2 3.46Å; G110-G424 PolarHBondContact O-N 3.13Å
111	E	90.3	Very high	91.4	Very high	77 Å²	77	44 Å²	44	36%	0.36	24%	0.244	S	C	.	.	S	Bend	trans	-98.6	-30.6	-171.2	-179.8	171.7	-115.4	0	0	112.8	R100 Y104 E115 G424 S425	R100-E111 IonicContact CZ-OE2 3.61Å; R100-E111 VanDerWaalsContact CZ-OE2 3.28Å; R100-E111 VanDerWaalsContact NH1-CD 3.31Å; R100-E111 IonicContact NH1-OE1 3.23Å; R100-E111 PolarHBondContact NH1-OE1 3.46Å; R100-E111 IonicContact NH1-OE2 2.71Å; R100-E111 PolarHBondContact NH1-OE2 3.4Å; R100-E111 IonicContact NH2-OE2 2.98Å; R100-E111 PolarHBondContact NH2-OE2 2.84Å; Y104-E111 PolarHBondContact OH-N 2.83Å; Y104-E111 VanDerWaalsContact OH-N 3.12Å; E111-E115 PolarHBondContact N-OE2 3.24Å; E111-G424 WeakPolarHBondContact CA-O 3.38Å; E111-S425 WeakPolarHBondContact OE1-CA 3.47Å; E111-S425 WeakPolarHBondContact OE1-CB 3.38Å
112	N	90.8	Very high	91.5	Very high	62 Å²	62	44.2 Å²	44.2	33%	0.332	24%	0.237	S	C	.	.	S	Bend	trans	-122.3	160.3	-176.3	59.6	76.4	0	0	0	111.6	M114 E115 I116	N112-M114 PolarHBondContact O-N 2.95Å; N112-M114 VanDerWaalsContact O-N 3.08Å; N112-M114 PolarHBondContact OD1-N 2.82Å; N112-E115 WeakPolarHBondContact ND2-CG 3.26Å; N112-E115 PolarHBondContact ND2-OE1 3.23Å; N112-E115 PolarHBondContact O-N 2.83Å; N112-E115 VanDerWaalsContact O-N 3.11Å; N112-E115 PolarHBondContact OD1-N 3.29Å; N112-I116 VanDerWaalsContact O-CG1 3.27Å; N112-I116 WeakPolarHBondContact O-CG1 3.31Å; N112-I116 PolarHBondContact O-N 3.03Å
113	E	89.9	Confident	91.6	Very high	66 Å²	66	42.5 Å²	42.5	31%	0.308	23%	0.225	S	C	.	.	H	α-helix	trans	-56.9	-29.2	-174.4	-172.3	169.5	-162.4	0	0	113.3	S117 R161 M162 N166	E113-S117 WeakPolarHBondContact O-CB 3.32Å; E113-S117 PolarHBondContact O-N 2.88Å; E113-S117 PolarHBondContact O-OG 3.2Å; E113-R161 IonicContact OE1-CZ 3.24Å; E113-R161 IonicContact OE1-NH1 3.47Å; E113-R161 PolarHBondContact OE1-NH1 3.33Å; E113-R161 IonicContact OE1-NH2 3.27Å; E113-R161 PolarHBondContact OE1-NH2 3.45Å; E113-R161 VanDerWaalsContact OE1-NH2 3.17Å; E113-R161 IonicContact OE2-CZ 2.69Å; E113-R161 IonicContact OE2-NH1 3.43Å; E113-R161 IonicContact OE2-NH2 2.87Å; E113-R161 PolarHBondContact OE2-NH2 3.1Å; E113-M162 HydrophobicContact CB-SD 4.49Å; E113-M162 HydrophobicContact CG-CG 4.42Å; E113-M162 HydrophobicContact CG-SD 4.27Å; E113-N166 PolarHBondContact OE1-ND2 3.34Å
114	M	91.8	Very high	91.9	Very high	139 Å²	139	42.1 Å²	42.1	69%	0.685	23%	0.226	S	C	*	.	H	α-helix	trans	-71.5	-48.7	175.5	-65.7	-162.8	-62	0	0	112.6	N112 I116 S117 Q118	N112-M114 PolarHBondContact O-N 2.95Å; N112-M114 VanDerWaalsContact O-N 3.08Å; N112-M114 PolarHBondContact OD1-N 2.82Å; M114-I116 VanDerWaalsContact C-N 3.3Å; M114-I116 PolarHBondContact O-N 2.89Å; M114-S117 PolarHBondContact O-N 3.35Å; M114-Q118 VanDerWaalsContact O-CG 3.29Å; M114-Q118 WeakPolarHBondContact O-CG 3.27Å; M114-Q118 PolarHBondContact O-N 3.06Å
115	E	93.3	Very high	92	Very high	60 Å²	60	49.3 Å²	49.3	28%	0.28	26%	0.264	S	S	.	.	H	α-helix	trans	-59.4	-43.7	174.8	-70.2	178.1	-175	0	0	110.7	R100 G110 E111 N112 Q118 S119	R100-E115 IonicContact NH2-OE1 2.87Å; R100-E115 PolarHBondContact NH2-OE1 3.37Å; R100-E115 IonicContact NH2-OE2 2.8Å; R100-E115 PolarHBondContact NH2-OE2 3.46Å; G110-E115 WeakPolarHBondContact CA-OE2 3.46Å; E111-E115 PolarHBondContact N-OE2 3.24Å; N112-E115 WeakPolarHBondContact ND2-CG 3.26Å; N112-E115 PolarHBondContact ND2-OE1 3.23Å; N112-E115 PolarHBondContact O-N 2.83Å; N112-E115 VanDerWaalsContact O-N 3.11Å; N112-E115 PolarHBondContact OD1-N 3.29Å; E115-Q118 PolarHBondContact O-N 3.36Å; E115-S119 WeakPolarHBondContact O-CB 3.2Å; E115-S119 PolarHBondContact O-N 3.02Å; E115-S119 PolarHBondContact O-OG 2.97Å
116	I	92.8	Very high	92.1	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.015	26%	0.26	C	S	.	.	H	α-helix	trans	-59.3	-53.1	176.2	-65.1	165.3	0	0	0	110.1	A109 N112 M114 Q118 S119 M120 L132 M162 W168 Y423	A109-I116 HydrophobicContact CB-CG1 4.16Å; N112-I116 VanDerWaalsContact O-CG1 3.27Å; N112-I116 WeakPolarHBondContact O-CG1 3.31Å; N112-I116 PolarHBondContact O-N 3.03Å; M114-I116 VanDerWaalsContact C-N 3.3Å; M114-I116 PolarHBondContact O-N 2.89Å; I116-Q118 VanDerWaalsContact C-N 3.32Å; I116-Q118 PolarHBondContact O-N 3.39Å; I116-S119 PolarHBondContact O-N 2.93Å; I116-S119 VanDerWaalsContact O-N 3.16Å; I116-M120 HydrophobicContact CG2-CE 4.08Å; I116-M120 HydrophobicContact CG2-CG 4.12Å; I116-M120 WeakPolarHBondContact O-CE 3.2Å; I116-M120 VanDerWaalsContact O-CG 3.29Å; I116-M120 WeakPolarHBondContact O-CG 3.19Å; I116-M120 PolarHBondContact O-N 2.98Å; I116-L132 HydrophobicContact CG2-CD1 4.5Å; I116-L132 HydrophobicContact CG2-CD2 4.19Å; I116-M162 HydrophobicContact CD1-SD 4.3Å; I116-W168 HydrophobicContact CG2-CH2 4.14Å; I116-Y423 HydrophobicContact CD1-CD2 3.65Å; I116-Y423 HydrophobicContact CD1-CG 3.94Å
117	S	91.8	Very high	92.2	Very high	33 Å²	33	51.3 Å²	51.3	23%	0.231	28%	0.28	C	S	.	.	H	α-helix	trans	-59.8	-39.5	-178.8	-60.7	0	0	0	0	112.8	E113 M114 M120 G121	E113-S117 WeakPolarHBondContact O-CB 3.32Å; E113-S117 PolarHBondContact O-N 2.88Å; E113-S117 PolarHBondContact O-OG 3.2Å; M114-S117 PolarHBondContact O-N 3.35Å; S117-M120 PolarHBondContact O-N 3.3Å; S117-G121 PolarHBondContact O-N 2.99Å
118	Q	92.6	Very high	92.4	Very high	142 Å²	142	50.2 Å²	50.2	66%	0.664	28%	0.276	S	S	*	.	H	α-helix	trans	-64.7	-45.1	175.8	-71.1	174.6	20.1	0	0	111.7	M114 E115 I116 K122	M114-Q118 VanDerWaalsContact O-CG 3.29Å; M114-Q118 WeakPolarHBondContact O-CG 3.27Å; M114-Q118 PolarHBondContact O-N 3.06Å; E115-Q118 PolarHBondContact O-N 3.36Å; I116-Q118 VanDerWaalsContact C-N 3.32Å; I116-Q118 PolarHBondContact O-N 3.39Å; Q118-K122 WeakPolarHBondContact O-CB 3.5Å; Q118-K122 PolarHBondContact O-N 2.97Å
119	S	92.9	Very high	92.5	Very high	46 Å²	46	51.6 Å²	51.6	32%	0.322	28%	0.28	S	S	.	.	H	α-helix	trans	-64.1	-40.6	176	-75.7	0	0	0	0	112.6	A109 E115 I116 M123	A109-S119 WeakPolarHBondContact O-CB 3.44Å; A109-S119 PolarHBondContact O-OG 3.25Å; E115-S119 WeakPolarHBondContact O-CB 3.2Å; E115-S119 PolarHBondContact O-N 3.02Å; E115-S119 PolarHBondContact O-OG 2.97Å; I116-S119 PolarHBondContact O-N 2.93Å; I116-S119 VanDerWaalsContact O-N 3.16Å; S119-M123 WeakPolarHBondContact O-CB 3.32Å; S119-M123 PolarHBondContact O-N 2.76Å; S119-M123 VanDerWaalsContact O-N 3.11Å
120	M	93.3	Very high	92.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-67.7	-47	177.1	-66.4	-32.2	104.5	0	0	111.5	A109 I116 S117 K122 M123 S124 P130 L132 W168 V421	A109-M120 HydrophobicContact CB-CE 3.27Å; I116-M120 HydrophobicContact CG2-CE 4.08Å; I116-M120 HydrophobicContact CG2-CG 4.12Å; I116-M120 WeakPolarHBondContact O-CE 3.2Å; I116-M120 VanDerWaalsContact O-CG 3.29Å; I116-M120 WeakPolarHBondContact O-CG 3.19Å; I116-M120 PolarHBondContact O-N 2.98Å; S117-M120 PolarHBondContact O-N 3.3Å; M120-K122 PolarHBondContact O-N 3.1Å; M120-M123 WeakPolarHBondContact O-CB 3.45Å; M120-M123 PolarHBondContact O-N 3.17Å; M120-S124 WeakPolarHBondContact O-CB 3.43Å; M120-S124 PolarHBondContact O-N 2.68Å; M120-S124 PolarHBondContact O-OG 2.75Å; M120-P130 HydrophobicContact CB-CB 4.32Å; M120-P130 HydrophobicContact CB-CG 4Å; M120-P130 HydrophobicContact CG-CB 4.1Å; M120-P130 HydrophobicContact CG-CG 4.23Å; M120-P130 HydrophobicContact SD-CB 3.25Å; M120-P130 WeakPolarHBondContact SD-CB 3.38Å; M120-P130 HydrophobicContact SD-CG 4.01Å; M120-L132 HydrophobicContact CE-CD2 4.14Å; M120-L132 HydrophobicContact CG-CD2 4.42Å; M120-L132 HydrophobicContact SD-CD2 3.8Å; M120-W168 HydrophobicContact CB-CB 4.1Å; M120-W168 HydrophobicContact CB-CD2 3.37Å; M120-W168 HydrophobicContact CB-CE3 3.42Å; M120-W168 VanDerWaalsContact CB-CE3 3.42Å; M120-W168 HydrophobicContact CB-CG 3.69Å; M120-W168 HydrophobicContact CB-CH2 4.47Å; M120-W168 HydrophobicContact CB-CZ2 4.43Å; M120-W168 HydrophobicContact CB-CZ3 4Å; M120-W168 HydrophobicContact CG-CD2 3.66Å; M120-W168 HydrophobicContact CG-CE3 3.76Å; M120-W168 HydrophobicContact CG-CG 4.3Å; M120-W168 HydrophobicContact CG-CH2 3.87Å; M120-W168 HydrophobicContact CG-CZ2 3.76Å; M120-W168 HydrophobicContact CG-CZ3 3.87Å; M120-V421 HydrophobicContact CE-CG1 3.76Å; M120-V421 HydrophobicContact SD-CG1 4.42Å
121	G	93.3	Very high	92.8	Very high	27 Å²	27	51.6 Å²	51.6	28%	0.278	28%	0.279	S	S	.	.	H	α-helix	trans	-60.3	-44.3	177.5	0	0	0	0	0	112.1	S117 M123 S124 L125	S117-G121 PolarHBondContact O-N 2.99Å; G121-M123 PolarHBondContact O-N 3.45Å; G121-S124 PolarHBondContact O-N 2.7Å; G121-L125 WeakPolarHBondContact O-CG 3.42Å; G121-L125 PolarHBondContact O-N 3.46Å
122	K	92.1	Very high	92.9	Very high	86 Å²	86	47.9 Å²	47.9	37%	0.374	26%	0.262	S	S	.	.	H	α-helix	trans	-60.6	-43.1	175.6	-176	177.5	-176.9	-179.7	0	112.7	E59 Q118 M120 S124 L125 M126	E59-K122 IonicContact OE1-NZ 2.74Å; E59-K122 PolarHBondContact OE1-NZ 3.43Å; E59-K122 IonicContact OE2-NZ 2.7Å; E59-K122 PolarHBondContact OE2-NZ 2.86Å; Q118-K122 WeakPolarHBondContact O-CB 3.5Å; Q118-K122 PolarHBondContact O-N 2.97Å; M120-K122 PolarHBondContact O-N 3.1Å; K122-S124 VanDerWaalsContact C-N 3.3Å; K122-S124 PolarHBondContact O-N 2.81Å; K122-L125 PolarHBondContact O-N 3.13Å; K122-M126 HydrophobicContact CG-SD 4.38Å; K122-M126 WeakPolarHBondContact O-CG 3.44Å; K122-M126 PolarHBondContact O-N 3.08Å
123	M	92.8	Very high	92.9	Very high	16 Å²	16	45.3 Å²	45.3	8%	0.079	25%	0.249	C	C	.	.	H	α-helix	trans	-61.9	-41	176.4	-175.9	175.6	-53.3	0	0	111.7	S119 M120 G121 M126 L128 P130 L400 K419 V421	S119-M123 WeakPolarHBondContact O-CB 3.32Å; S119-M123 PolarHBondContact O-N 2.76Å; S119-M123 VanDerWaalsContact O-N 3.11Å; M120-M123 WeakPolarHBondContact O-CB 3.45Å; M120-M123 PolarHBondContact O-N 3.17Å; G121-M123 PolarHBondContact O-N 3.45Å; M123-M126 CarbonylContact O-C 3.44Å; M123-M126 WeakPolarHBondContact O-CA 3.48Å; M123-M126 WeakPolarHBondContact O-CB 3.17Å; M123-M126 PolarHBondContact O-N 3.41Å; M123-L128 CarbonylContact C-O 3.56Å; M123-L128 HydrophobicContact CG-CB 3.52Å; M123-L128 HydrophobicContact CG-CD1 4.33Å; M123-L128 WeakPolarHBondContact O-CB 3.43Å; M123-L128 PolarHBondContact O-N 2.9Å; M123-L128 HydrophobicContact SD-CB 4.45Å; M123-P130 HydrophobicContact SD-CB 3.81Å; M123-L400 HydrophobicContact CE-CD1 3.73Å; M123-K419 HydrophobicContact CE-CB 4.24Å; M123-K419 HydrophobicContact SD-CB 3.62Å; M123-K419 HydrophobicContact SD-CG 3.88Å; M123-V421 HydrophobicContact CE-CG2 3.61Å; M123-V421 HydrophobicContact SD-CG2 4.14Å
124	S	93.8	Very high	92.8	Very high	32 Å²	32	43.3 Å²	43.3	22%	0.224	24%	0.241	C	C	.	.	H	α-helix	trans	-68.2	-38	-179.7	-50.7	0	0	0	0	112.2	M120 G121 K122 M126 G127 L128 P130 W168	M120-S124 WeakPolarHBondContact O-CB 3.43Å; M120-S124 PolarHBondContact O-N 2.68Å; M120-S124 PolarHBondContact O-OG 2.75Å; G121-S124 PolarHBondContact O-N 2.7Å; K122-S124 VanDerWaalsContact C-N 3.3Å; K122-S124 PolarHBondContact O-N 2.81Å; S124-M126 PolarHBondContact O-N 2.96Å; S124-G127 PolarHBondContact O-N 3.29Å; S124-L128 VanDerWaalsContact CA-O 3.31Å; S124-L128 WeakPolarHBondContact CA-O 3.26Å; S124-L128 PolarHBondContact N-O 3.27Å; S124-P130 WeakPolarHBondContact OG-CD 3.39Å; S124-W168 WeakPolarHBondContact CB-O 3.49Å; S124-W168 PolarHBondContact OG-O 3.26Å
125	L	92.5	Very high	92.3	Very high	159 Å²	159	37.4 Å²	37.4	83%	0.832	21%	0.213	S	C	*	.	H	α-helix	trans	-63.2	-18	169.6	-70	170.9	0	0	0	113.7	G121 K122 G127	G121-L125 WeakPolarHBondContact O-CG 3.42Å; G121-L125 PolarHBondContact O-N 3.46Å; K122-L125 PolarHBondContact O-N 3.13Å; L125-G127 VanDerWaalsContact C-N 3.35Å
126	M	92.3	Very high	91.4	Very high	42 Å²	42	35.8 Å²	35.8	21%	0.207	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	10.3	173.9	-67.3	165.2	43.7	0	0	112.7	V54 K122 M123 S124 L128 L408	V54-M126 HydrophobicContact CB-CG 4.16Å; V54-M126 HydrophobicContact CB-SD 4.48Å; V54-M126 HydrophobicContact CG2-CE 3.77Å; V54-M126 HydrophobicContact CG2-CG 4.06Å; V54-M126 HydrophobicContact CG2-SD 4.11Å; K122-M126 HydrophobicContact CG-SD 4.38Å; K122-M126 WeakPolarHBondContact O-CG 3.44Å; K122-M126 PolarHBondContact O-N 3.08Å; M123-M126 CarbonylContact O-C 3.44Å; M123-M126 WeakPolarHBondContact O-CA 3.48Å; M123-M126 WeakPolarHBondContact O-CB 3.17Å; M123-M126 PolarHBondContact O-N 3.41Å; S124-M126 PolarHBondContact O-N 2.96Å; M126-L128 HydrophobicContact CE-CD1 4.45Å; M126-L128 PolarHBondContact O-N 2.95Å; M126-L408 HydrophobicContact CB-CD2 3.96Å; M126-L408 HydrophobicContact CE-CD1 4.04Å; M126-L408 HydrophobicContact CE-CD2 3.69Å; M126-L408 HydrophobicContact CE-CG 4.45Å
127	G	92.7	Very high	90.3	Very high	45 Å²	45	36.4 Å²	36.4	46%	0.464	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	6.1	-178.6	0	0	0	0	0	114.5	S124 L125	S124-G127 PolarHBondContact O-N 3.29Å; L125-G127 VanDerWaalsContact C-N 3.35Å
128	L	95.3	Very high	88.7	Confident	6 Å²	6	38.1 Å²	38.1	3%	0.031	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	136.3	-179.5	-60.9	178	0	0	0	110.3	M123 S124 M126 P130 S407 L408 A411 V417 K419	M123-L128 CarbonylContact C-O 3.56Å; M123-L128 HydrophobicContact CG-CB 3.52Å; M123-L128 HydrophobicContact CG-CD1 4.33Å; M123-L128 WeakPolarHBondContact O-CB 3.43Å; M123-L128 PolarHBondContact O-N 2.9Å; M123-L128 HydrophobicContact SD-CB 4.45Å; S124-L128 VanDerWaalsContact CA-O 3.31Å; S124-L128 WeakPolarHBondContact CA-O 3.26Å; S124-L128 PolarHBondContact N-O 3.27Å; M126-L128 HydrophobicContact CE-CD1 4.45Å; M126-L128 PolarHBondContact O-N 2.95Å; L128-P130 WeakPolarHBondContact O-CD 3.44Å; L128-S407 WeakPolarHBondContact CD2-O 3.37Å; L128-L408 HydrophobicContact CD1-CD2 3.78Å; L128-L408 HydrophobicContact CD1-CG 4.38Å; L128-L408 HydrophobicContact CD2-CD2 4.46Å; L128-L408 HydrophobicContact CG-CD2 4.05Å; L128-A411 HydrophobicContact CD2-CB 3.92Å; L128-V417 HydrophobicContact CD2-CB 3.8Å; L128-V417 HydrophobicContact CD2-CG1 3.86Å; L128-V417 HydrophobicContact CD2-CG2 4.44Å; L128-K419 HydrophobicContact CB-CG 4.36Å; L128-K419 HydrophobicContact CD1-CD 4.48Å; L128-K419 HydrophobicContact CD1-CG 4.14Å
129	R	95.8	Very high	86.7	Confident	35 Å²	35	38.4 Å²	38.4	13%	0.132	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	116	178.1	-64.7	-176.5	-171.5	-159.2	8.4	109.7	S169 K170 D171 V417 Y418 K419	R129-S169 WeakPolarHBondContact CB-OG 3.45Å; R129-K170 WeakPolarHBondContact CD-O 3.41Å; R129-K170 PolarHBondContact NH1-O 3.3Å; R129-K170 VanDerWaalsContact NH1-O 3.15Å; R129-D171 IonicContact CZ-OD2 2.92Å; R129-D171 IonicContact NH1-OD2 3.28Å; R129-D171 PolarHBondContact NH1-OD2 2.83Å; R129-V417 WeakPolarHBondContact CB-O 3.45Å; R129-V417 PolarHBondContact N-O 3.26Å; R129-Y418 HydrophobicContact CB-CD1 3.42Å; R129-Y418 VanDerWaalsContact CB-CD1 3.42Å; R129-Y418 HydrophobicContact CB-CE1 3.46Å; R129-Y418 VanDerWaalsContact CB-CE1 3.46Å; R129-Y418 HydrophobicContact CB-CG 4.07Å; R129-Y418 WeakPolarHBondContact CD-OH 3.41Å; R129-Y418 HydrophobicContact CG-CD1 4.47Å; R129-Y418 HydrophobicContact CG-CE1 4.12Å; R129-Y418 PolarHBondContact NH1-OH 3.19Å; R129-Y418 CarbonylContact O-C 3.56Å; R129-Y418 WeakPolarHBondContact O-CA 3.4Å; R129-K419 PolarHBondContact O-N 2.87Å
130	P	94.7	Very high	84.6	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	139.9	172.1	26.3	-34.1	0	0	0	111.9	M120 M123 S124 L128 W168	M120-P130 HydrophobicContact CB-CB 4.32Å; M120-P130 HydrophobicContact CB-CG 4Å; M120-P130 HydrophobicContact CG-CB 4.1Å; M120-P130 HydrophobicContact CG-CG 4.23Å; M120-P130 HydrophobicContact SD-CB 3.25Å; M120-P130 WeakPolarHBondContact SD-CB 3.38Å; M120-P130 HydrophobicContact SD-CG 4.01Å; M123-P130 HydrophobicContact SD-CB 3.81Å; S124-P130 WeakPolarHBondContact OG-CD 3.39Å; L128-P130 WeakPolarHBondContact O-CD 3.44Å; P130-W168 HydrophobicContact CG-CB 4.49Å; P130-W168 HydrophobicContact CG-CG 4.01Å
131	M	95.1	Very high	82.5	Confident	6 Å²	6	41.1 Å²	41.1	3%	0.03	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	112.7	169.8	169	179.5	65.1	0	0	108	M173 Q175 L247 Y418 K419 V421	M131-M173 WeakPolarHBondContact CA-O 3.19Å; M131-M173 HydrophobicContact CB-CB 4.06Å; M131-M173 HydrophobicContact CG-CB 3.74Å; M131-M173 WeakPolarHBondContact CG-O 3.34Å; M131-M173 HydrophobicContact SD-CB 3.95Å; M131-Q175 HydrophobicContact CE-CG 4.09Å; M131-Q175 HydrophobicContact CG-CG 4.47Å; M131-Q175 HydrophobicContact SD-CG 3.96Å; M131-L247 HydrophobicContact SD-CD2 3.66Å; M131-Y418 HydrophobicContact CB-CD1 4.42Å; M131-K419 WeakPolarHBondContact CB-O 3.2Å; M131-K419 PolarHBondContact N-O 2.66Å; M131-V421 PolarHBondContact O-N 3.27Å
132	L	92.8	Very high	80.3	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	137.2	-178.8	-68.4	-173.2	0	0	0	111.2	I116 M120 C159 M162 W168 M173 M174 Q175 Y423	I116-L132 HydrophobicContact CG2-CD1 4.5Å; I116-L132 HydrophobicContact CG2-CD2 4.19Å; M120-L132 HydrophobicContact CE-CD2 4.14Å; M120-L132 HydrophobicContact CG-CD2 4.42Å; M120-L132 HydrophobicContact SD-CD2 3.8Å; L132-C159 VanDerWaalsContact CB-SG 3.56Å; L132-M162 HydrophobicContact CD1-CB 4.12Å; L132-M162 HydrophobicContact CD1-CE 4.13Å; L132-W168 HydrophobicContact CD1-CH2 4.41Å; L132-W168 HydrophobicContact CD1-CZ2 3.95Å; L132-W168 HydrophobicContact CG-CZ2 4.4Å; L132-M173 PolarHBondContact N-O 3.41Å; L132-M174 WeakPolarHBondContact O-CA 3.33Å; L132-Q175 PolarHBondContact O-N 2.88Å; L132-Y423 HydrophobicContact CB-CD1 4.23Å; L132-Y423 HydrophobicContact CB-CE1 4.03Å; L132-Y423 HydrophobicContact CD1-CD1 4.47Å; L132-Y423 HydrophobicContact CD1-CE1 4.35Å; L132-Y423 HydrophobicContact CD2-CD1 4.07Å; L132-Y423 HydrophobicContact CG-CD1 4.49Å
133	A	90.4	Very high	78.7	Confident	8 Å²	8	46.4 Å²	46.4	7%	0.066	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	114.2	175.2	0	0	0	0	0	108.9	Q175 V421 P422	A133-Q175 HydrophobicContact CB-CB 4.29Å; A133-V421 PolarHBondContact N-O 2.97Å; A133-P422 WeakPolarHBondContact O-CA 3.26Å
134	V	87.8	Confident	77.5	Confident	24 Å²	24	53.2 Å²	53.2	15%	0.145	30%	0.297	C	S	.	.			trans	-67.1	127.7	174.6	-158	0	0	0	0	107.7	I136 A155 M156 C159 Y423	V134-I136 HydrophobicContact CB-CD1 4.2Å; V134-I136 HydrophobicContact CB-CG1 4.39Å; V134-I136 HydrophobicContact CG1-CD1 3.74Å; V134-I136 HydrophobicContact CG1-CG1 3.88Å; V134-I136 PolarHBondContact O-N 3.12Å; V134-A155 HydrophobicContact CG1-CB 4.13Å; V134-M156 HydrophobicContact CG2-CG 4.29Å; V134-C159 HydrophobicContact CG2-CB 3.74Å; V134-Y423 HydrophobicContact CG2-CE1 4.48Å
135	P	80	Confident	77	Confident	15 Å²	15	53.8 Å²	53.8	10%	0.097	31%	0.307	C	S	.	.			trans	-78.3	38.1	-171.2	36.3	-42.1	0	0	0	113.3	E137 L140 Y423 D428 T429	P135-E137 PolarHBondContact O-N 3.48Å; P135-L140 WeakPolarHBondContact O-CD1 3.31Å; P135-Y423 WeakPolarHBondContact CD-O 3.35Å; P135-Y423 VanDerWaalsContact CG-O 3.28Å; P135-Y423 WeakPolarHBondContact CG-O 3.27Å; P135-D428 HydrophobicContact CG-CB 4.13Å; P135-T429 HydrophobicContact CB-CG2 4.09Å; P135-T429 HydrophobicContact CG-CG2 4.27Å
136	I	76.1	Confident	76.9	Confident	25 Å²	25	49.2 Å²	49.2	13%	0.128	28%	0.282	C	S	.	.			trans	-77.6	115.2	-179.3	-58.9	161.5	0	0	0	109.1	V134 N152 M156 A180	V134-I136 HydrophobicContact CB-CD1 4.2Å; V134-I136 HydrophobicContact CB-CG1 4.39Å; V134-I136 HydrophobicContact CG1-CD1 3.74Å; V134-I136 HydrophobicContact CG1-CG1 3.88Å; V134-I136 PolarHBondContact O-N 3.12Å; I136-N152 HydrophobicContact CD1-CB 3.92Å; I136-M156 HydrophobicContact CD1-CE 4.03Å; I136-A180 HydrophobicContact CB-CB 4.2Å; I136-A180 HydrophobicContact CD1-CB 4.19Å; I136-A180 HydrophobicContact CG2-CB 3.65Å
137	E	68.1	Low	76.9	Confident	17 Å²	17	52.9 Å²	52.9	8%	0.079	30%	0.297	C	S	.	.			trans	-122	165	170.6	-53.5	-73.4	-172.8	0	0	109	P135 D139 L140 R148 P431 R435	P135-E137 PolarHBondContact O-N 3.48Å; E137-D139 PolarHBondContact O-N 3.11Å; E137-D139 VanDerWaalsContact O-N 3.15Å; E137-L140 HydrophobicContact CB-CD1 4.21Å; E137-L140 HydrophobicContact CG-CD1 4.5Å; E137-R148 PolarHBondContact O-NH2 3.37Å; E137-P431 HydrophobicContact CB-CB 4.42Å; E137-P431 HydrophobicContact CG-CB 4.26Å; E137-R435 VanDerWaalsContact CD-CZ 3.46Å; E137-R435 IonicContact OE1-CZ 3.18Å; E137-R435 IonicContact OE1-NE 3.23Å; E137-R435 IonicContact OE1-NH1 3.92Å; E137-R435 PolarHBondContact OE1-NH1 3.01Å; E137-R435 IonicContact OE1-NH2 2.96Å; E137-R435 PolarHBondContact OE1-NH2 3.2Å; E137-R435 IonicContact OE2-CZ 3.67Å; E137-R435 IonicContact OE2-NH1 2.63Å; E137-R435 PolarHBondContact OE2-NH1 2.99Å; E137-R435 IonicContact OE2-NH2 2.7Å; E137-R435 PolarHBondContact OE2-NH2 3.05Å
138	E	57.8	Low	76.7	Confident	69 Å²	69	53.5 Å²	53.5	32%	0.322	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-30.1	-169.9	-62.1	170.2	122.5	0	0	112.9	R148 Y252	E138-R148 PolarHBondContact O-NH1 2.9Å; E138-R148 VanDerWaalsContact O-NH1 3.07Å; E138-R148 PolarHBondContact O-NH2 2.8Å; E138-Y252 PolarHBondContact OE2-OH 3.11Å
139	D	51.3	Low	76.6	Confident	147 Å²	147	54.6 Å²	54.6	79%	0.786	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	2.4	-170.1	-56.2	-48.6	0	0	0	116.5	E137	E137-D139 PolarHBondContact O-N 3.11Å; E137-D139 VanDerWaalsContact O-N 3.15Å
140	L	48.2	Very low	76.6	Confident	66 Å²	66	56.1 Å²	56.1	35%	0.346	30%	0.299	S	S	.	.			trans	-96.3	3	-162.3	-84.3	169.8	0	0	0	118	P135 E137 D428 P431	P135-L140 WeakPolarHBondContact O-CD1 3.31Å; E137-L140 HydrophobicContact CB-CD1 4.21Å; E137-L140 HydrophobicContact CG-CD1 4.5Å; L140-D428 WeakPolarHBondContact CD1-O 3.39Å; L140-P431 HydrophobicContact CD1-CG 4.07Å; L140-P431 HydrophobicContact CD2-CG 3.79Å; L140-P431 HydrophobicContact CG-CG 3.92Å
141	G	49.3	Very low	76.5	Confident	38 Å²	38	59 Å²	59	39%	0.392	32%	0.315	S	S	.	.			trans	-102.9	127.6	-168.8	0	0	0	0	0	116.1
142	E	48.6	Very low	76.4	Confident	190 Å²	190	59.8 Å²	59.8	89%	0.888	32%	0.319	S	S	*	.	S	Bend	trans	-81.5	-21	158.7	-67.6	-176.9	176.8	0	0	112.1
143	S	57.9	Low	76.5	Confident	34 Å²	34	60.7 Å²	60.7	24%	0.238	32%	0.323	C	S	.	.	S	Bend	trans	-85	142.8	175	50.8	0	0	0	0	112.5	D151	S143-D151 PolarHBondContact OG-OD2 2.85Å; S143-D151 VanDerWaalsContact OG-OD2 3.08Å
144	I	68.2	Low	76.8	Confident	159 Å²	159	64.7 Å²	64.7	82%	0.815	35%	0.347	S	S	*	.			trans	-119.8	143.3	-173.5	-55.5	175.5	0	0	0	109.5
145	G	82.4	Confident	77.1	Confident	43 Å²	43	65.2 Å²	65.2	44%	0.443	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	-154.2	178.4	0	0	0	0	0	113.2	K147 R148	G145-K147 VanDerWaalsContact C-N 3.27Å; G145-K147 PolarHBondContact O-N 2.93Å; G145-K147 VanDerWaalsContact O-N 3.14Å; G145-R148 WeakPolarHBondContact O-CB 3.45Å; G145-R148 PolarHBondContact O-N 3.03Å
146	E	90.9	Very high	77.8	Confident	64 Å²	64	64.7 Å²	64.7	30%	0.299	35%	0.35	S	S	.	.	H	α-helix	trans	-54.1	-38	-169.4	-76.7	-66	88.9	0	0	114.8	R148 Y149 D150 H225 C228 R232	E146-R148 PolarHBondContact O-N 2.71Å; E146-R148 VanDerWaalsContact O-N 3.11Å; E146-Y149 PolarHBondContact O-N 2.96Å; E146-Y149 WeakPolarHBondContact OE1-CD2 3.32Å; E146-D150 PolarHBondContact O-N 3.41Å; E146-D150 VanDerWaalsContact O-N 3.08Å; E146-H225 IonicContact OE1-CE1 2.68Å; E146-H225 PolarHBondContact OE1-CE1 3.13Å; E146-H225 IonicContact OE1-ND1 2.78Å; E146-H225 PolarHBondContact OE1-ND1 2.67Å; E146-C228 WeakPolarHBondContact OE2-CB 3.33Å; E146-R232 IonicContact OE1-NH2 2.81Å; E146-R232 PolarHBondContact OE1-NH2 2.8Å; E146-R232 IonicContact OE2-CZ 3.56Å; E146-R232 IonicContact OE2-NE 2.68Å; E146-R232 IonicContact OE2-NH2 3.51Å; E146-R232 PolarHBondContact OE2-NH2 2.89Å
147	K	91.1	Very high	78.8	Confident	119 Å²	119	66.1 Å²	66.1	52%	0.517	36%	0.358	S	S	.	.	H	α-helix	trans	-55	-34.7	178.3	-165.7	-161.1	175.8	-59.9	0	112.3	G145 Y149 D150 D151	G145-K147 VanDerWaalsContact C-N 3.27Å; G145-K147 PolarHBondContact O-N 2.93Å; G145-K147 VanDerWaalsContact O-N 3.14Å; K147-Y149 VanDerWaalsContact C-N 3.29Å; K147-Y149 PolarHBondContact O-N 3.49Å; K147-D150 PolarHBondContact O-N 2.7Å; K147-D151 IonicContact NZ-OD1 2.65Å; K147-D151 PolarHBondContact NZ-OD1 2.63Å; K147-D151 IonicContact NZ-OD2 2.65Å; K147-D151 PolarHBondContact NZ-OD2 3.08Å; K147-D151 WeakPolarHBondContact O-CB 3.4Å; K147-D151 PolarHBondContact O-N 2.88Å
148	R	89.8	Confident	80.1	Confident	57 Å²	57	69 Å²	69	22%	0.215	37%	0.371	C	S	.	.	H	α-helix	trans	-61.8	-37.9	177.1	-175.5	179.8	170.8	178.7	-3.5	111.7	E137 E138 G145 E146 N152	E137-R148 PolarHBondContact O-NH2 3.37Å; E138-R148 PolarHBondContact O-NH1 2.9Å; E138-R148 VanDerWaalsContact O-NH1 3.07Å; E138-R148 PolarHBondContact O-NH2 2.8Å; G145-R148 WeakPolarHBondContact O-CB 3.45Å; G145-R148 PolarHBondContact O-N 3.03Å; E146-R148 PolarHBondContact O-N 2.71Å; E146-R148 VanDerWaalsContact O-N 3.11Å; R148-N152 WeakPolarHBondContact O-CB 3.44Å; R148-N152 PolarHBondContact O-N 3.28Å; R148-N152 PolarHBondContact O-ND2 3.11Å
149	Y	93.1	Very high	81.9	Confident	29 Å²	29	65.7 Å²	65.7	11%	0.114	36%	0.356	C	S	.	.	H	α-helix	trans	-79.2	-29.2	178.6	-52.7	-65.2	0	0	0	112.4	E146 K147 M153 A180 L181 S183 R232	E146-Y149 PolarHBondContact O-N 2.96Å; E146-Y149 WeakPolarHBondContact OE1-CD2 3.32Å; K147-Y149 VanDerWaalsContact C-N 3.29Å; K147-Y149 PolarHBondContact O-N 3.49Å; Y149-M153 WeakPolarHBondContact O-CB 3.33Å; Y149-M153 PolarHBondContact O-N 3.46Å; Y149-A180 WeakPolarHBondContact CD1-O 3.35Å; Y149-L181 VanDerWaalsContact O-CD2 3.31Å; Y149-L181 WeakPolarHBondContact O-CD2 3.08Å; Y149-S183 WeakPolarHBondContact OH-CA 3.13Å; Y149-S183 WeakPolarHBondContact OH-CB 3.32Å; Y149-R232 VanDerWaalsContact CB-CZ 3.42Å; Y149-R232 VanDerWaalsContact CB-NH1 3.31Å
150	D	94.8	Very high	84	Confident	67 Å²	67	59 Å²	59	36%	0.358	32%	0.32	S	S	.	.	H	α-helix	trans	-66.4	-45.5	168.3	-71.2	-47.4	0	0	0	111.7	E146 K147 N152 M153 V154 R232	E146-D150 PolarHBondContact O-N 3.41Å; E146-D150 VanDerWaalsContact O-N 3.08Å; K147-D150 PolarHBondContact O-N 2.7Å; D150-N152 VanDerWaalsContact C-N 3.32Å; D150-N152 PolarHBondContact O-N 2.9Å; D150-M153 WeakPolarHBondContact O-CB 3.34Å; D150-M153 PolarHBondContact O-N 3.23Å; D150-M153 VanDerWaalsContact O-N 3.11Å; D150-V154 PolarHBondContact O-N 3.05Å; D150-R232 WeakPolarHBondContact OD1-CD 3.35Å; D150-R232 IonicContact OD1-NE 3.17Å
151	D	92.3	Very high	86.2	Confident	62 Å²	62	60.1 Å²	60.1	33%	0.332	32%	0.32	S	S	.	.	H	α-helix	trans	-57.4	-45.7	175.1	-66.4	-26.2	0	0	0	110.6	S143 K147 V154 A155	S143-D151 PolarHBondContact OG-OD2 2.85Å; S143-D151 VanDerWaalsContact OG-OD2 3.08Å; K147-D151 IonicContact NZ-OD1 2.65Å; K147-D151 PolarHBondContact NZ-OD1 2.63Å; K147-D151 IonicContact NZ-OD2 2.65Å; K147-D151 PolarHBondContact NZ-OD2 3.08Å; K147-D151 WeakPolarHBondContact O-CB 3.4Å; K147-D151 PolarHBondContact O-N 2.88Å; D151-V154 PolarHBondContact O-N 3.01Å; D151-A155 PolarHBondContact O-N 3.39Å; D151-A155 VanDerWaalsContact O-N 3.12Å
152	N	93.4	Very high	88.3	Confident	22 Å²	22	58.6 Å²	58.6	12%	0.118	30%	0.303	C	S	.	.	H	α-helix	trans	-63.3	-39.1	174.3	-74.2	-15.1	0	0	0	112.8	I136 R148 D150 V154 A155 M156 A180 L181	I136-N152 HydrophobicContact CD1-CB 3.92Å; R148-N152 WeakPolarHBondContact O-CB 3.44Å; R148-N152 PolarHBondContact O-N 3.28Å; R148-N152 PolarHBondContact O-ND2 3.11Å; D150-N152 VanDerWaalsContact C-N 3.32Å; D150-N152 PolarHBondContact O-N 2.9Å; N152-V154 VanDerWaalsContact C-N 3.34Å; N152-A155 PolarHBondContact O-N 2.9Å; N152-M156 WeakPolarHBondContact O-CG 3.49Å; N152-M156 PolarHBondContact O-N 3.28Å; N152-A180 VanDerWaalsContact CB-O 3.23Å; N152-A180 WeakPolarHBondContact CB-O 3.44Å; N152-A180 PolarHBondContact ND2-O 3.31Å; N152-L181 HydrophobicContact CB-CD2 4.1Å
153	M	96.1	Very high	90.4	Very high	19 Å²	19	49.7 Å²	49.7	9%	0.094	26%	0.261	C	S	.	.	H	α-helix	trans	-61.6	-43.7	176.8	-179.2	-172.6	55.8	0	0	110.7	Y149 D150 A155 M156 L157 L181 R232 K235 V236	Y149-M153 WeakPolarHBondContact O-CB 3.33Å; Y149-M153 PolarHBondContact O-N 3.46Å; D150-M153 WeakPolarHBondContact O-CB 3.34Å; D150-M153 PolarHBondContact O-N 3.23Å; D150-M153 VanDerWaalsContact O-N 3.11Å; M153-A155 VanDerWaalsContact C-N 3.35Å; M153-A155 PolarHBondContact O-N 2.87Å; M153-M156 PolarHBondContact O-N 3.43Å; M153-L157 HydrophobicContact CG-CD1 4.06Å; M153-L157 HydrophobicContact CG-CG 4.42Å; M153-L157 WeakPolarHBondContact O-CG 3.44Å; M153-L157 PolarHBondContact O-N 2.93Å; M153-L181 HydrophobicContact CB-CD2 3.8Å; M153-R232 HydrophobicContact CE-CG 4.4Å; M153-R232 HydrophobicContact CG-CB 4.45Å; M153-R232 HydrophobicContact SD-CB 3.92Å; M153-R232 HydrophobicContact SD-CG 3.76Å; M153-K235 HydrophobicContact CE-CD 4.45Å; M153-K235 HydrophobicContact SD-CB 4.11Å; M153-K235 HydrophobicContact SD-CD 3.67Å; M153-V236 HydrophobicContact CG-CG2 4Å
154	V	95.8	Very high	92	Very high	92 Å²	92	52.4 Å²	52.4	56%	0.558	27%	0.27	S	S	*	.	H	α-helix	trans	-60.6	-44.5	175.5	174.6	0	0	0	0	110.8	D150 D151 N152 M156 L157 E158	D150-V154 PolarHBondContact O-N 3.05Å; D151-V154 PolarHBondContact O-N 3.01Å; N152-V154 VanDerWaalsContact C-N 3.34Å; V154-M156 VanDerWaalsContact C-N 3.3Å; V154-M156 PolarHBondContact O-N 3.39Å; V154-L157 PolarHBondContact O-N 3.29Å; V154-E158 WeakPolarHBondContact O-CB 3.33Å; V154-E158 PolarHBondContact O-N 3.41Å
155	A	93.6	Very high	92.8	Very high	36 Å²	36	48.4 Å²	48.4	30%	0.298	26%	0.256	S	S	.	.	H	α-helix	trans	-62.3	-33.9	176.1	0	0	0	0	0	113.4	V134 D151 N152 M153 C159	V134-A155 HydrophobicContact CG1-CB 4.13Å; D151-A155 PolarHBondContact O-N 3.39Å; D151-A155 VanDerWaalsContact O-N 3.12Å; N152-A155 PolarHBondContact O-N 2.9Å; M153-A155 VanDerWaalsContact C-N 3.35Å; M153-A155 PolarHBondContact O-N 2.87Å; A155-C159 PolarHBondContact O-N 3.42Å; A155-C159 VanDerWaalsContact O-N 3.08Å
156	M	95.9	Very high	92.6	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.015	25%	0.251	C	S	.	.	H	α-helix	trans	-73.5	-41.4	174.1	-69.8	-169	-166.5	0	0	112.8	V134 I136 N152 M153 V154 E158 C159 V160 M174 L176 A180 L181 V236	V134-M156 HydrophobicContact CG2-CG 4.29Å; I136-M156 HydrophobicContact CD1-CE 4.03Å; N152-M156 WeakPolarHBondContact O-CG 3.49Å; N152-M156 PolarHBondContact O-N 3.28Å; M153-M156 PolarHBondContact O-N 3.43Å; V154-M156 VanDerWaalsContact C-N 3.3Å; V154-M156 PolarHBondContact O-N 3.39Å; M156-E158 VanDerWaalsContact C-N 3.27Å; M156-E158 PolarHBondContact O-N 2.94Å; M156-C159 VanDerWaalsContact O-CB 3.26Å; M156-C159 WeakPolarHBondContact O-CB 3.41Å; M156-C159 PolarHBondContact O-N 3.05Å; M156-C159 VanDerWaalsContact O-N 3.13Å; M156-V160 WeakPolarHBondContact O-CG2 2.96Å; M156-V160 PolarHBondContact O-N 2.85Å; M156-M174 HydrophobicContact CB-CE 4.22Å; M156-M174 HydrophobicContact CG-CE 4.39Å; M156-L176 HydrophobicContact CE-CG 4.14Å; M156-L176 HydrophobicContact SD-CB 4.48Å; M156-L176 HydrophobicContact SD-CD1 3.53Å; M156-L176 VanDerWaalsContact SD-CD1 3.53Å; M156-L176 HydrophobicContact SD-CG 3.7Å; M156-A180 HydrophobicContact CE-CB 3.5Å; M156-L181 HydrophobicContact CE-CD1 4.11Å; M156-L181 HydrophobicContact CE-CG 3.94Å; M156-L181 HydrophobicContact SD-CD1 3.53Å; M156-L181 VanDerWaalsContact SD-CD1 3.53Å; M156-L181 HydrophobicContact SD-CG 4.01Å; M156-V236 HydrophobicContact CB-CG1 4.17Å; M156-V236 HydrophobicContact CB-CG2 4Å
157	L	97.1	Very high	92	Very high	56 Å²	56	50.2 Å²	50.2	29%	0.293	27%	0.27	S	S	.	.	H	α-helix	trans	-62	-36.8	174.8	-69.5	170.3	0	0	0	111.6	M153 V154 V160 R161 V236 A239	M153-L157 HydrophobicContact CG-CD1 4.06Å; M153-L157 HydrophobicContact CG-CG 4.42Å; M153-L157 WeakPolarHBondContact O-CG 3.44Å; M153-L157 PolarHBondContact O-N 2.93Å; V154-L157 PolarHBondContact O-N 3.29Å; L157-V160 WeakPolarHBondContact O-CB 3.36Å; L157-V160 PolarHBondContact O-N 2.85Å; L157-R161 PolarHBondContact O-N 3.15Å; L157-V236 HydrophobicContact CD2-CG2 4.21Å; L157-V236 HydrophobicContact CG-CG2 4.28Å; L157-A239 HydrophobicContact CD2-CB 3.43Å; L157-A239 VanDerWaalsContact CD2-CB 3.43Å
158	E	94.9	Very high	91.7	Very high	77 Å²	77	45.9 Å²	45.9	36%	0.36	25%	0.25	S	S	.	.	H	α-helix	trans	-67.6	-37.4	172.9	179.6	64	172.5	0	0	112.3	V154 M156 V160 R161 M162	V154-E158 WeakPolarHBondContact O-CB 3.33Å; V154-E158 PolarHBondContact O-N 3.41Å; M156-E158 VanDerWaalsContact C-N 3.27Å; M156-E158 PolarHBondContact O-N 2.94Å; E158-V160 VanDerWaalsContact C-N 3.32Å; E158-V160 PolarHBondContact O-N 3.33Å; E158-R161 PolarHBondContact O-N 3Å; E158-R161 IonicContact OE1-CZ 2.79Å; E158-R161 IonicContact OE1-NE 2.76Å; E158-R161 PolarHBondContact OE1-NE 2.92Å; E158-R161 IonicContact OE1-NH2 2.86Å; E158-R161 PolarHBondContact OE1-NH2 2.85Å; E158-R161 IonicContact OE2-CZ 3.93Å; E158-R161 IonicContact OE2-NE 3.57Å; E158-R161 PolarHBondContact OE2-NE 3.04Å; E158-R161 IonicContact OE2-NH2 3.6Å; E158-M162 HydrophobicContact CG-CE 4.3Å; E158-M162 WeakPolarHBondContact O-CG 3.48Å; E158-M162 PolarHBondContact O-N 2.92Å
159	C	94.6	Very high	91.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.7	-41.2	171	-168.6	0	0	0	0	112	L132 V134 A155 M156 S163 M174 Y423	L132-C159 VanDerWaalsContact CB-SG 3.56Å; V134-C159 HydrophobicContact CG2-CB 3.74Å; A155-C159 PolarHBondContact O-N 3.42Å; A155-C159 VanDerWaalsContact O-N 3.08Å; M156-C159 VanDerWaalsContact O-CB 3.26Å; M156-C159 WeakPolarHBondContact O-CB 3.41Å; M156-C159 PolarHBondContact O-N 3.05Å; M156-C159 VanDerWaalsContact O-N 3.13Å; C159-S163 WeakPolarHBondContact O-CB 3.17Å; C159-S163 PolarHBondContact O-N 3Å; C159-S163 PolarHBondContact O-OG 3.45Å; C159-M174 HydrophobicContact CB-CE 4.08Å; C159-Y423 WeakPolarHBondContact CB-OH 3.45Å
160	V	95.7	Very high	91.3	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.03	27%	0.266	C	S	.	.	H	α-helix	trans	-62.1	-48.1	173.2	177.9	0	0	0	0	110.9	M156 L157 E158 S163 H164 M174 A239 S240 V244	M156-V160 WeakPolarHBondContact O-CG2 2.96Å; M156-V160 PolarHBondContact O-N 2.85Å; L157-V160 WeakPolarHBondContact O-CB 3.36Å; L157-V160 PolarHBondContact O-N 2.85Å; E158-V160 VanDerWaalsContact C-N 3.32Å; E158-V160 PolarHBondContact O-N 3.33Å; V160-S163 PolarHBondContact O-N 2.94Å; V160-H164 WeakPolarHBondContact O-CB 3.37Å; V160-H164 PolarHBondContact O-N 2.9Å; V160-M174 HydrophobicContact CG2-SD 3.43Å; V160-M174 WeakPolarHBondContact CG2-SD 3.5Å; V160-A239 HydrophobicContact CG1-CB 4.38Å; V160-S240 WeakPolarHBondContact CG2-OG 3.37Å; V160-V244 HydrophobicContact CG1-CG2 4.07Å
161	R	95.3	Very high	91.1	Very high	90 Å²	90	47.6 Å²	47.6	34%	0.34	26%	0.26	S	S	.	.	H	α-helix	trans	-55.6	-57.5	178.1	-174.5	-166.3	66.5	80	-11.1	110.9	E113 L157 E158 S163 H164 S165	E113-R161 IonicContact OE1-CZ 3.24Å; E113-R161 IonicContact OE1-NH1 3.47Å; E113-R161 PolarHBondContact OE1-NH1 3.33Å; E113-R161 IonicContact OE1-NH2 3.27Å; E113-R161 PolarHBondContact OE1-NH2 3.45Å; E113-R161 VanDerWaalsContact OE1-NH2 3.17Å; E113-R161 IonicContact OE2-CZ 2.69Å; E113-R161 IonicContact OE2-NH1 3.43Å; E113-R161 IonicContact OE2-NH2 2.87Å; E113-R161 PolarHBondContact OE2-NH2 3.1Å; L157-R161 PolarHBondContact O-N 3.15Å; E158-R161 PolarHBondContact O-N 3Å; E158-R161 IonicContact OE1-CZ 2.79Å; E158-R161 IonicContact OE1-NE 2.76Å; E158-R161 PolarHBondContact OE1-NE 2.92Å; E158-R161 IonicContact OE1-NH2 2.86Å; E158-R161 PolarHBondContact OE1-NH2 2.85Å; E158-R161 IonicContact OE2-CZ 3.93Å; E158-R161 IonicContact OE2-NE 3.57Å; E158-R161 PolarHBondContact OE2-NE 3.04Å; E158-R161 IonicContact OE2-NH2 3.6Å; R161-S163 VanDerWaalsContact C-N 3.32Å; R161-S163 PolarHBondContact O-N 3.28Å; R161-H164 PolarHBondContact O-N 3.4Å; R161-S165 WeakPolarHBondContact O-CB 3.49Å; R161-S165 PolarHBondContact O-N 3.41Å; R161-S165 PolarHBondContact O-OG 3.08Å
162	M	92.8	Very high	91.2	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.03	25%	0.249	C	C	.	.	H	α-helix	trans	-57.4	-45.1	-178.6	-72.3	-169.7	-64.7	0	0	111.9	E113 I116 L132 E158 H164 N166 W168 Y423	E113-M162 HydrophobicContact CB-SD 4.49Å; E113-M162 HydrophobicContact CG-CG 4.42Å; E113-M162 HydrophobicContact CG-SD 4.27Å; I116-M162 HydrophobicContact CD1-SD 4.3Å; L132-M162 HydrophobicContact CD1-CB 4.12Å; L132-M162 HydrophobicContact CD1-CE 4.13Å; E158-M162 HydrophobicContact CG-CE 4.3Å; E158-M162 WeakPolarHBondContact O-CG 3.48Å; E158-M162 PolarHBondContact O-N 2.92Å; M162-H164 VanDerWaalsContact C-N 3.27Å; M162-H164 PolarHBondContact O-N 2.88Å; M162-N166 PolarHBondContact O-ND2 2.91Å; M162-W168 HydrophobicContact CB-CH2 4.19Å; M162-W168 VanDerWaalsContact O-CH2 3.32Å; M162-W168 WeakPolarHBondContact O-CH2 3.47Å; M162-W168 WeakPolarHBondContact O-CZ2 3.37Å; M162-Y423 HydrophobicContact CE-CD2 4.24Å; M162-Y423 HydrophobicContact CE-CE1 4.48Å; M162-Y423 HydrophobicContact CE-CE2 3.61Å
163	S	92.4	Very high	91.4	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-65.6	-26.8	-178.5	-60.4	0	0	0	0	113.8	C159 V160 R161 P172	C159-S163 WeakPolarHBondContact O-CB 3.17Å; C159-S163 PolarHBondContact O-N 3Å; C159-S163 PolarHBondContact O-OG 3.45Å; V160-S163 PolarHBondContact O-N 2.94Å; R161-S163 VanDerWaalsContact C-N 3.32Å; R161-S163 PolarHBondContact O-N 3.28Å; S163-P172 VanDerWaalsContact O-CB 3.26Å; S163-P172 WeakPolarHBondContact O-CB 3.44Å
164	H	91.8	Very high	91.4	Very high	91 Å²	91	43.6 Å²	43.6	42%	0.421	24%	0.24	S	C	.	.	H	α-helix	trans	-92.5	-54.5	178.9	-178.2	60.6	0	0	0	112.6	V160 R161 M162 N166 A167 K243 V244	V160-H164 WeakPolarHBondContact O-CB 3.37Å; V160-H164 PolarHBondContact O-N 2.9Å; R161-H164 PolarHBondContact O-N 3.4Å; M162-H164 VanDerWaalsContact C-N 3.27Å; M162-H164 PolarHBondContact O-N 2.88Å; H164-N166 VanDerWaalsContact C-N 3.3Å; H164-N166 PolarHBondContact O-N 2.88Å; H164-A167 PolarHBondContact O-N 2.8Å; H164-K243 HydrophobicContact CB-CB 4.35Å; H164-V244 HydrophobicContact CB-CG2 3.97Å
165	S	85.4	Confident	91.3	Very high	76 Å²	76	40.4 Å²	40.4	53%	0.531	22%	0.219	S	C	.	.	H	α-helix	trans	-64.7	-28.7	-167.6	-65.4	0	0	0	0	114.5	R161	R161-S165 WeakPolarHBondContact O-CB 3.49Å; R161-S165 PolarHBondContact O-N 3.41Å; R161-S165 PolarHBondContact O-OG 3.08Å
166	N	78.3	Confident	91.4	Very high	61 Å²	61	39 Å²	39	33%	0.326	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	0.3	-172.7	-68.1	-66.6	0	0	0	114.3	E113 M162 H164 W168	E113-N166 PolarHBondContact OE1-ND2 3.34Å; M162-N166 PolarHBondContact O-ND2 2.91Å; H164-N166 VanDerWaalsContact C-N 3.3Å; H164-N166 PolarHBondContact O-N 2.88Å; N166-W168 HydrophobicContact CB-CD2 3.86Å; N166-W168 HydrophobicContact CB-CE3 3.23Å; N166-W168 HydrophobicContact CB-CH2 3.91Å; N166-W168 HydrophobicContact CB-CZ2 4.45Å; N166-W168 HydrophobicContact CB-CZ3 3.25Å; N166-W168 PolarHBondContact O-N 2.68Å
167	A	77.9	Confident	91.3	Very high	84 Å²	84	39.9 Å²	39.9	69%	0.694	21%	0.21	S	C	*	.			trans	52.8	12.3	171.5	0	0	0	0	0	117.5	H164 S169	H164-A167 PolarHBondContact O-N 2.8Å; A167-S169 VanDerWaalsContact C-N 3.3Å; A167-S169 PolarHBondContact O-N 3.43Å
168	W	85.2	Confident	91.3	Very high	28 Å²	28	37.2 Å²	37.2	11%	0.106	20%	0.196	C	C	.	.			trans	-63.7	-31.1	-174.3	47.9	55.9	0	0	0	113.5	I116 M120 S124 P130 L132 M162 N166	I116-W168 HydrophobicContact CG2-CH2 4.14Å; M120-W168 HydrophobicContact CB-CB 4.1Å; M120-W168 HydrophobicContact CB-CD2 3.37Å; M120-W168 HydrophobicContact CB-CE3 3.42Å; M120-W168 VanDerWaalsContact CB-CE3 3.42Å; M120-W168 HydrophobicContact CB-CG 3.69Å; M120-W168 HydrophobicContact CB-CH2 4.47Å; M120-W168 HydrophobicContact CB-CZ2 4.43Å; M120-W168 HydrophobicContact CB-CZ3 4Å; M120-W168 HydrophobicContact CG-CD2 3.66Å; M120-W168 HydrophobicContact CG-CE3 3.76Å; M120-W168 HydrophobicContact CG-CG 4.3Å; M120-W168 HydrophobicContact CG-CH2 3.87Å; M120-W168 HydrophobicContact CG-CZ2 3.76Å; M120-W168 HydrophobicContact CG-CZ3 3.87Å; S124-W168 WeakPolarHBondContact CB-O 3.49Å; S124-W168 PolarHBondContact OG-O 3.26Å; P130-W168 HydrophobicContact CG-CB 4.49Å; P130-W168 HydrophobicContact CG-CG 4.01Å; L132-W168 HydrophobicContact CD1-CH2 4.41Å; L132-W168 HydrophobicContact CD1-CZ2 3.95Å; L132-W168 HydrophobicContact CG-CZ2 4.4Å; M162-W168 HydrophobicContact CB-CH2 4.19Å; M162-W168 VanDerWaalsContact O-CH2 3.32Å; M162-W168 WeakPolarHBondContact O-CH2 3.47Å; M162-W168 WeakPolarHBondContact O-CZ2 3.37Å; N166-W168 HydrophobicContact CB-CD2 3.86Å; N166-W168 HydrophobicContact CB-CE3 3.23Å; N166-W168 HydrophobicContact CB-CH2 3.91Å; N166-W168 HydrophobicContact CB-CZ2 4.45Å; N166-W168 HydrophobicContact CB-CZ3 3.25Å; N166-W168 PolarHBondContact O-N 2.68Å
169	S	86.4	Confident	91.3	Very high	11 Å²	11	34.1 Å²	34.1	8%	0.077	18%	0.183	C	C	.	.	S	Bend	trans	-117.5	128.6	-178.3	-169	0	0	0	0	110.7	R129 A167 D171 P172	R129-S169 WeakPolarHBondContact CB-OG 3.45Å; A167-S169 VanDerWaalsContact C-N 3.3Å; A167-S169 PolarHBondContact O-N 3.43Å; S169-D171 PolarHBondContact O-N 2.65Å; S169-P172 WeakPolarHBondContact O-CD 3.36Å
170	K	86.8	Confident	91.2	Very high	134 Å²	134	34.3 Å²	34.3	58%	0.583	18%	0.184	S	C	*	.	S	Bend	trans	-58.2	133.5	152.2	-175.3	-175.6	171.7	-178	0	107.3	R129	R129-K170 WeakPolarHBondContact CD-O 3.41Å; R129-K170 PolarHBondContact NH1-O 3.3Å; R129-K170 VanDerWaalsContact NH1-O 3.15Å
171	D	91.8	Very high	91.2	Very high	43 Å²	43	34 Å²	34	23%	0.23	18%	0.182	C	C	.	.	S	Bend	trans	54.2	61.5	-178.8	-61.4	-67.1	0	0	0	114.3	R129 S169 R245 Y418	R129-D171 IonicContact CZ-OD2 2.92Å; R129-D171 IonicContact NH1-OD2 3.28Å; R129-D171 PolarHBondContact NH1-OD2 2.83Å; S169-D171 PolarHBondContact O-N 2.65Å; D171-R245 IonicContact OD1-CZ 2.93Å; D171-R245 VanDerWaalsContact OD1-CZ 3.27Å; D171-R245 IonicContact OD1-NH1 2.69Å; D171-R245 PolarHBondContact OD1-NH1 3.05Å; D171-R245 IonicContact OD1-NH2 3Å; D171-R245 PolarHBondContact OD1-NH2 3.45Å; D171-Y418 VanDerWaalsContact CB-OH 3.26Å; D171-Y418 WeakPolarHBondContact CB-OH 3.37Å; D171-Y418 WeakPolarHBondContact O-CE1 3.17Å; D171-Y418 PolarHBondContact O-OH 3.05Å
172	P	94.9	Very high	91.2	Very high	17 Å²	17	29.8 Å²	29.8	11%	0.11	17%	0.166	C	C	.	.			trans	-62.5	149.7	-176.1	29.1	-35.1	0	0	0	112.1	S163 S169 K243 V244 R245	S163-P172 VanDerWaalsContact O-CB 3.26Å; S163-P172 WeakPolarHBondContact O-CB 3.44Å; S169-P172 WeakPolarHBondContact O-CD 3.36Å; P172-K243 WeakPolarHBondContact CG-O 3.32Å; P172-V244 HydrophobicContact CG-CG2 4.19Å; P172-V244 WeakPolarHBondContact O-CA 3.25Å; P172-R245 PolarHBondContact O-N 2.85Å
173	M	96.2	Very high	91.2	Very high	3 Å²	3	30 Å²	30	2%	0.015	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	152.9	-179.7	-62.5	-170.4	165.3	0	0	110.4	M131 L132 R245 L247 W278 I366 Y418	M131-M173 WeakPolarHBondContact CA-O 3.19Å; M131-M173 HydrophobicContact CB-CB 4.06Å; M131-M173 HydrophobicContact CG-CB 3.74Å; M131-M173 WeakPolarHBondContact CG-O 3.34Å; M131-M173 HydrophobicContact SD-CB 3.95Å; L132-M173 PolarHBondContact N-O 3.41Å; M173-R245 CarbonylContact C-O 3.47Å; M173-R245 VanDerWaalsContact CA-O 3.32Å; M173-R245 WeakPolarHBondContact CA-O 3.27Å; M173-R245 HydrophobicContact CG-CB 4.2Å; M173-L247 HydrophobicContact CB-CD1 4.37Å; M173-L247 HydrophobicContact CG-CD1 4.3Å; M173-L247 HydrophobicContact SD-CD1 3.99Å; M173-L247 HydrophobicContact SD-CD2 3.69Å; M173-W278 HydrophobicContact CE-CH2 4.33Å; M173-W278 HydrophobicContact CE-CZ2 4.25Å; M173-I366 HydrophobicContact SD-CD1 4.22Å; M173-Y418 HydrophobicContact CB-CD1 4.29Å; M173-Y418 HydrophobicContact CB-CE1 4.34Å; M173-Y418 HydrophobicContact CE-CD2 4.16Å; M173-Y418 HydrophobicContact CE-CE1 4.25Å; M173-Y418 HydrophobicContact CE-CE2 3.6Å; M173-Y418 HydrophobicContact CG-CD1 3.94Å; M173-Y418 HydrophobicContact CG-CE1 3.62Å; M173-Y418 HydrophobicContact SD-CD1 3.78Å; M173-Y418 HydrophobicContact SD-CD2 3.78Å; M173-Y418 HydrophobicContact SD-CE1 3.75Å; M173-Y418 HydrophobicContact SD-CE2 3.74Å; M173-Y418 HydrophobicContact SD-CG 3.8Å
174	M	95.8	Very high	91.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	159.1	167	69	173.8	-72.1	0	0	111.4	L132 M156 C159 V160 V244 R245 V246 L247	L132-M174 WeakPolarHBondContact O-CA 3.33Å; M156-M174 HydrophobicContact CB-CE 4.22Å; M156-M174 HydrophobicContact CG-CE 4.39Å; C159-M174 HydrophobicContact CB-CE 4.08Å; V160-M174 HydrophobicContact CG2-SD 3.43Å; V160-M174 WeakPolarHBondContact CG2-SD 3.5Å; M174-V244 HydrophobicContact CB-CG1 4.15Å; M174-V244 HydrophobicContact CG-CG1 4.01Å; M174-R245 PolarHBondContact N-O 3.34Å; M174-V246 HydrophobicContact CG-CG2 4.22Å; M174-V246 HydrophobicContact SD-CG2 4.3Å; M174-L247 PolarHBondContact O-N 2.8Å
175	Q	94.9	Very high	91.4	Very high	25 Å²	25	33 Å²	33	12%	0.117	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	143.2	167.7	-72	178.6	-111.3	0	0	111.8	M131 L132 A133 L247 D249 K309 S420	M131-Q175 HydrophobicContact CE-CG 4.09Å; M131-Q175 HydrophobicContact CG-CG 4.47Å; M131-Q175 HydrophobicContact SD-CG 3.96Å; L132-Q175 PolarHBondContact O-N 2.88Å; A133-Q175 HydrophobicContact CB-CB 4.29Å; Q175-L247 WeakPolarHBondContact CA-O 3.48Å; Q175-D249 VanDerWaalsContact NE2-CG 3.32Å; Q175-D249 PolarHBondContact NE2-OD1 3.42Å; Q175-D249 PolarHBondContact NE2-OD2 3.11Å; Q175-K309 VanDerWaalsContact NE2-NZ 3.14Å; Q175-S420 VanDerWaalsContact OE1-CB 3.27Å; Q175-S420 PolarHBondContact OE1-OG 2.99Å
176	L	94.9	Very high	91.9	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.031	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	141.5	175.7	-179.7	146.7	0	0	0	109.8	M156 I178 L181 L233 V236 V246 L247 V248 D249	M156-L176 HydrophobicContact CE-CG 4.14Å; M156-L176 HydrophobicContact SD-CB 4.48Å; M156-L176 HydrophobicContact SD-CD1 3.53Å; M156-L176 VanDerWaalsContact SD-CD1 3.53Å; M156-L176 HydrophobicContact SD-CG 3.7Å; L176-I178 HydrophobicContact CD2-CD1 3.88Å; L176-I178 HydrophobicContact CD2-CG1 4.48Å; L176-L181 HydrophobicContact CD1-CD1 4.28Å; L176-L233 HydrophobicContact CD1-CD2 4.15Å; L176-L233 HydrophobicContact CD2-CD2 3.8Å; L176-V236 HydrophobicContact CD1-CB 4.49Å; L176-V236 HydrophobicContact CD1-CG1 3.87Å; L176-V246 HydrophobicContact CB-CG1 3.55Å; L176-V246 HydrophobicContact CD1-CG1 3.91Å; L176-V246 HydrophobicContact CG-CG1 4.27Å; L176-L247 PolarHBondContact N-O 3.04Å; L176-L247 VanDerWaalsContact N-O 3.08Å; L176-V248 HydrophobicContact CD2-CG1 4.19Å; L176-V248 HydrophobicContact CD2-CG2 4.18Å; L176-V248 CarbonylContact O-C 3.07Å; L176-V248 WeakPolarHBondContact O-CA 3.31Å; L176-D249 PolarHBondContact O-N 3.48Å
177	K	94.8	Very high	92.8	Very high	21 Å²	21	27 Å²	27	9%	0.091	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	136.2	167	-79.2	-178.9	159	-65.3	0	109.4	A180 D249 E251 Y315	K177-A180 HydrophobicContact CB-CB 3.93Å; K177-A180 PolarHBondContact O-N 3.27Å; K177-D249 HydrophobicContact CG-CB 4.19Å; K177-E251 IonicContact NZ-OE2 3.21Å; K177-E251 PolarHBondContact NZ-OE2 3.11Å; K177-Y315 PolarHBondContact NZ-OH 3.44Å
178	I	96.2	Very high	93.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-71.1	-37.1	174	-61.9	-64.8	0	0	0	109.4	L176 A180 L181 L182 L233 V248 E251 L259 V262	L176-I178 HydrophobicContact CD2-CD1 3.88Å; L176-I178 HydrophobicContact CD2-CG1 4.48Å; I178-A180 PolarHBondContact O-N 3.36Å; I178-A180 VanDerWaalsContact O-N 3.13Å; I178-L181 CarbonylContact O-C 3.45Å; I178-L181 PolarHBondContact O-N 2.87Å; I178-L182 HydrophobicContact CG2-CB 4.19Å; I178-L182 HydrophobicContact CG2-CD2 4.34Å; I178-L182 PolarHBondContact O-N 2.95Å; I178-L233 HydrophobicContact CD1-CD1 3.88Å; I178-L233 HydrophobicContact CD1-CD2 3.69Å; I178-L233 HydrophobicContact CD1-CG 4.48Å; I178-L233 HydrophobicContact CG2-CD1 4.45Å; I178-V248 HydrophobicContact CD1-CG1 3.92Å; I178-V248 HydrophobicContact CG1-CG1 3.62Å; I178-E251 PolarHBondContact N-OE1 3.24Å; I178-L259 HydrophobicContact CB-CB 4.36Å; I178-L259 HydrophobicContact CB-CD2 3.85Å; I178-L259 HydrophobicContact CB-CG 4.41Å; I178-L259 HydrophobicContact CG1-CB 4.11Å; I178-L259 HydrophobicContact CG2-CD2 3.75Å; I178-V262 HydrophobicContact CD1-CG1 4.14Å
179	T	94.5	Very high	94.3	Very high	13 Å²	13	27.1 Å²	27.1	8%	0.08	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.2	175.5	56.9	0	0	0	0	114.2	L181 L182 P184 E251 M255	T179-L181 VanDerWaalsContact C-N 3.29Å; T179-L182 CarbonylContact C-O 3.45Å; T179-L182 VanDerWaalsContact CA-O 3.27Å; T179-L182 WeakPolarHBondContact CA-O 3.28Å; T179-L182 VanDerWaalsContact O-O 3.07Å; T179-P184 HydrophobicContact CG2-CG 4.41Å; T179-E251 VanDerWaalsContact CG2-OE1 3.32Å; T179-E251 WeakPolarHBondContact CG2-OE1 3.36Å; T179-E251 WeakPolarHBondContact CG2-OE2 3.29Å; T179-E251 PolarHBondContact N-OE1 3.14Å; T179-E251 PolarHBondContact OG1-OE1 2.98Å; T179-E251 PolarHBondContact OG1-OE2 3.46Å; T179-M255 HydrophobicContact CG2-CE 3.73Å; T179-M255 HydrophobicContact CG2-SD 3.82Å
180	A	93.1	Very high	94.8	Very high	3 Å²	3	26.6 Å²	26.6	3%	0.025	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-11	173.9	0	0	0	0	0	113.2	I136 Y149 N152 M156 K177 I178	I136-A180 HydrophobicContact CB-CB 4.2Å; I136-A180 HydrophobicContact CD1-CB 4.19Å; I136-A180 HydrophobicContact CG2-CB 3.65Å; Y149-A180 WeakPolarHBondContact CD1-O 3.35Å; N152-A180 VanDerWaalsContact CB-O 3.23Å; N152-A180 WeakPolarHBondContact CB-O 3.44Å; N152-A180 PolarHBondContact ND2-O 3.31Å; M156-A180 HydrophobicContact CE-CB 3.5Å; K177-A180 HydrophobicContact CB-CB 3.93Å; K177-A180 PolarHBondContact O-N 3.27Å; I178-A180 PolarHBondContact O-N 3.36Å; I178-A180 VanDerWaalsContact O-N 3.13Å
181	L	95.3	Very high	95.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.5	12.9	179.1	-64	179.1	0	0	0	113.4	Y149 N152 M153 M156 L176 I178 T179 G229 R232 L233 V236	Y149-L181 VanDerWaalsContact O-CD2 3.31Å; Y149-L181 WeakPolarHBondContact O-CD2 3.08Å; N152-L181 HydrophobicContact CB-CD2 4.1Å; M153-L181 HydrophobicContact CB-CD2 3.8Å; M156-L181 HydrophobicContact CE-CD1 4.11Å; M156-L181 HydrophobicContact CE-CG 3.94Å; M156-L181 HydrophobicContact SD-CD1 3.53Å; M156-L181 VanDerWaalsContact SD-CD1 3.53Å; M156-L181 HydrophobicContact SD-CG 4.01Å; L176-L181 HydrophobicContact CD1-CD1 4.28Å; I178-L181 CarbonylContact O-C 3.45Å; I178-L181 PolarHBondContact O-N 2.87Å; T179-L181 VanDerWaalsContact C-N 3.29Å; L181-G229 WeakPolarHBondContact O-CA 3.46Å; L181-R232 HydrophobicContact CD2-CB 4.38Å; L181-R232 PolarHBondContact O-NH1 3.49Å; L181-L233 HydrophobicContact CB-CD2 4.03Å; L181-L233 HydrophobicContact CB-CG 3.99Å; L181-L233 HydrophobicContact CD1-CD2 3.64Å; L181-L233 HydrophobicContact CD1-CG 4.08Å; L181-L233 HydrophobicContact CG-CD2 4.44Å; L181-V236 HydrophobicContact CD1-CG2 4.16Å
182	L	94.9	Very high	95.5	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	12%	0.122	C	C	.	.	S	Bend	trans	-160.2	139.6	174.2	-177.4	59.3	0	0	0	107.1	I178 T179 M186 L190 F226	I178-L182 HydrophobicContact CG2-CB 4.19Å; I178-L182 HydrophobicContact CG2-CD2 4.34Å; I178-L182 PolarHBondContact O-N 2.95Å; T179-L182 CarbonylContact C-O 3.45Å; T179-L182 VanDerWaalsContact CA-O 3.27Å; T179-L182 WeakPolarHBondContact CA-O 3.28Å; T179-L182 VanDerWaalsContact O-O 3.07Å; L182-M186 HydrophobicContact CD1-CB 4.03Å; L182-M186 HydrophobicContact CD1-CG 3.73Å; L182-M186 HydrophobicContact CD2-CG 4.38Å; L182-M186 HydrophobicContact CG-CB 4.22Å; L182-M186 HydrophobicContact CG-CG 4.19Å; L182-L190 HydrophobicContact CD2-CD1 4.17Å; L182-F226 HydrophobicContact CD1-CD2 4.12Å; L182-F226 HydrophobicContact CD2-CD2 3.86Å; L182-F226 HydrophobicContact CD2-CE2 3.99Å
183	S	94.3	Very high	95.6	Very high	11 Å²	11	22.8 Å²	22.8	8%	0.077	12%	0.122	C	C	.	.			trans	-70.1	144.8	-173.2	87.5	0	0	0	0	112.1	Y149 E185 M186 C187 H225	Y149-S183 WeakPolarHBondContact OH-CA 3.13Å; Y149-S183 WeakPolarHBondContact OH-CB 3.32Å; S183-E185 WeakPolarHBondContact CB-OE2 3.47Å; S183-E185 PolarHBondContact O-N 3.08Å; S183-E185 PolarHBondContact OG-OE2 3.37Å; S183-M186 WeakPolarHBondContact O-CB 3.32Å; S183-M186 PolarHBondContact O-N 3.2Å; S183-M186 VanDerWaalsContact O-N 3.07Å; S183-M186 PolarHBondContact OG-N 3.42Å; S183-C187 PolarHBondContact O-N 2.89Å; S183-C187 VanDerWaalsContact O-N 3.13Å; S183-C187 PolarHBondContact O-SG 3.14Å; S183-H225 VanDerWaalsContact CB-NE2 3.33Å; S183-H225 WeakPolarHBondContact CB-NE2 3.33Å; S183-H225 PolarHBondContact OG-NE2 2.96Å
184	P	93.3	Very high	95.5	Very high	31 Å²	31	24.3 Å²	24.3	20%	0.201	13%	0.129	C	C	.	.	H	α-helix	trans	-54	-38.1	179	-29.2	37.2	0	0	0	113.4	T179 M186 C187 V188 M255	T179-P184 HydrophobicContact CG2-CG 4.41Å; P184-M186 VanDerWaalsContact C-N 3.33Å; P184-M186 PolarHBondContact O-N 3.42Å; P184-C187 WeakPolarHBondContact O-CB 3.44Å; P184-C187 PolarHBondContact O-N 3.49Å; P184-C187 VanDerWaalsContact O-N 3.14Å; P184-V188 VanDerWaalsContact O-CG2 3.25Å; P184-V188 WeakPolarHBondContact O-CG2 3.37Å; P184-V188 PolarHBondContact O-N 3.13Å; P184-M255 VanDerWaalsContact CA-SD 3.52Å; P184-M255 HydrophobicContact CB-CE 4.21Å; P184-M255 HydrophobicContact CB-SD 3.67Å
185	E	94.6	Very high	95.4	Very high	126 Å²	126	28.5 Å²	28.5	59%	0.589	16%	0.164	S	C	*	.	H	α-helix	trans	-63.7	-39.3	179.5	-48.1	73.1	-158.3	0	0	111.3	S183 C187 V188 K189	S183-E185 WeakPolarHBondContact CB-OE2 3.47Å; S183-E185 PolarHBondContact O-N 3.08Å; S183-E185 PolarHBondContact OG-OE2 3.37Å; E185-C187 VanDerWaalsContact C-N 3.35Å; E185-V188 PolarHBondContact O-N 3.36Å; E185-K189 WeakPolarHBondContact O-CB 3.42Å; E185-K189 PolarHBondContact O-N 3.12Å
186	M	96.1	Very high	95.3	Very high	9 Å²	9	34.5 Å²	34.5	4%	0.044	19%	0.192	C	C	.	.	H	α-helix	trans	-66.7	-38.4	174.5	-173.4	45.8	62.6	0	0	111.1	L182 S183 P184 V188 K189 L190 L218 E222 F226	L182-M186 HydrophobicContact CD1-CB 4.03Å; L182-M186 HydrophobicContact CD1-CG 3.73Å; L182-M186 HydrophobicContact CD2-CG 4.38Å; L182-M186 HydrophobicContact CG-CB 4.22Å; L182-M186 HydrophobicContact CG-CG 4.19Å; S183-M186 WeakPolarHBondContact O-CB 3.32Å; S183-M186 PolarHBondContact O-N 3.2Å; S183-M186 VanDerWaalsContact O-N 3.07Å; S183-M186 PolarHBondContact OG-N 3.42Å; P184-M186 VanDerWaalsContact C-N 3.33Å; P184-M186 PolarHBondContact O-N 3.42Å; M186-V188 PolarHBondContact O-N 2.88Å; M186-K189 PolarHBondContact O-N 3.13Å; M186-K189 HydrophobicContact SD-CB 4.42Å; M186-L190 HydrophobicContact CG-CD1 4.03Å; M186-L190 HydrophobicContact CG-CG 4.45Å; M186-L190 WeakPolarHBondContact O-CB 3.29Å; M186-L190 VanDerWaalsContact O-CG 3.26Å; M186-L190 WeakPolarHBondContact O-CG 3.27Å; M186-L190 PolarHBondContact O-N 3.48Å; M186-L190 HydrophobicContact SD-CD1 4.24Å; M186-L190 HydrophobicContact SD-CG 4.06Å; M186-L218 HydrophobicContact CE-CD2 4.41Å; M186-L218 HydrophobicContact SD-CD1 4.23Å; M186-L218 HydrophobicContact SD-CD2 3.95Å; M186-E222 HydrophobicContact CE-CB 3.53Å; M186-E222 HydrophobicContact CE-CG 3.85Å; M186-F226 HydrophobicContact CG-CB 4.3Å; M186-F226 HydrophobicContact SD-CB 4.34Å
187	C	97.4	Very high	95.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.7	-39.4	172.8	-61.3	0	0	0	0	112.1	S183 P184 E185 T191 M255 A258 L259	S183-C187 PolarHBondContact O-N 2.89Å; S183-C187 VanDerWaalsContact O-N 3.13Å; S183-C187 PolarHBondContact O-SG 3.14Å; P184-C187 WeakPolarHBondContact O-CB 3.44Å; P184-C187 PolarHBondContact O-N 3.49Å; P184-C187 VanDerWaalsContact O-N 3.14Å; E185-C187 VanDerWaalsContact C-N 3.35Å; C187-T191 PolarHBondContact O-N 3.42Å; C187-T191 PolarHBondContact O-OG1 3.38Å; C187-T191 VanDerWaalsContact O-OG1 3.11Å; C187-M255 HydrophobicContact CB-CB 4.01Å; C187-M255 HydrophobicContact CB-CG 3.67Å; C187-M255 HydrophobicContact CB-SD 3.6Å; C187-A258 HydrophobicContact CB-CB 4.26Å; C187-A258 WeakPolarHBondContact O-CB 3.34Å; C187-L259 HydrophobicContact CB-CD2 3.91Å; C187-L259 VanDerWaalsContact SG-CD2 3.56Å
188	V	96.4	Very high	94.8	Very high	55 Å²	55	43.9 Å²	43.9	33%	0.333	25%	0.245	S	C	.	.	H	α-helix	trans	-67.1	-43	174.3	-172.8	0	0	0	0	112	P184 E185 M186 T191 T192 Y254 M255	P184-V188 VanDerWaalsContact O-CG2 3.25Å; P184-V188 WeakPolarHBondContact O-CG2 3.37Å; P184-V188 PolarHBondContact O-N 3.13Å; E185-V188 PolarHBondContact O-N 3.36Å; M186-V188 PolarHBondContact O-N 2.88Å; V188-T191 PolarHBondContact O-N 3.05Å; V188-T192 PolarHBondContact O-N 2.97Å; V188-T192 PolarHBondContact O-OG1 3.31Å; V188-Y254 HydrophobicContact CG2-CD2 3.71Å; V188-Y254 HydrophobicContact CG2-CE2 4.07Å; V188-M255 HydrophobicContact CG2-CG 3.98Å
189	K	96.9	Very high	94.6	Very high	60 Å²	60	44.7 Å²	44.7	26%	0.261	25%	0.249	S	C	.	.	H	α-helix	trans	-60	-47.3	176.2	179	62.4	179.4	-85.5	0	110.7	E185 M186 T192 L193 G217 L218 E222	E185-K189 WeakPolarHBondContact O-CB 3.42Å; E185-K189 PolarHBondContact O-N 3.12Å; M186-K189 PolarHBondContact O-N 3.13Å; M186-K189 HydrophobicContact SD-CB 4.42Å; K189-T192 WeakPolarHBondContact O-CB 3.48Å; K189-T192 PolarHBondContact O-N 2.86Å; K189-L193 HydrophobicContact CD-CD1 4.45Å; K189-L193 HydrophobicContact CG-CD1 4.28Å; K189-L193 WeakPolarHBondContact O-CG 3.29Å; K189-L193 PolarHBondContact O-N 3.07Å; K189-G217 WeakPolarHBondContact CE-O 3.45Å; K189-L218 HydrophobicContact CG-CD2 3.78Å; K189-E222 IonicContact NZ-OE1 2.75Å; K189-E222 PolarHBondContact NZ-OE1 3.36Å; K189-E222 IonicContact NZ-OE2 3.41Å; K189-E222 PolarHBondContact NZ-OE2 2.86Å
190	L	97.5	Very high	94.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62	-45.4	176	-73.7	167	0	0	0	112.2	L182 M186 T192 L193 I194 Y199 L218 F226 A258	L182-L190 HydrophobicContact CD2-CD1 4.17Å; M186-L190 HydrophobicContact CG-CD1 4.03Å; M186-L190 HydrophobicContact CG-CG 4.45Å; M186-L190 WeakPolarHBondContact O-CB 3.29Å; M186-L190 VanDerWaalsContact O-CG 3.26Å; M186-L190 WeakPolarHBondContact O-CG 3.27Å; M186-L190 PolarHBondContact O-N 3.48Å; M186-L190 HydrophobicContact SD-CD1 4.24Å; M186-L190 HydrophobicContact SD-CG 4.06Å; L190-T192 VanDerWaalsContact C-N 3.27Å; L190-T192 PolarHBondContact O-N 3.02Å; L190-L193 PolarHBondContact O-N 3.25Å; L190-L193 VanDerWaalsContact O-N 3.12Å; L190-I194 HydrophobicContact CB-CD1 4.39Å; L190-I194 WeakPolarHBondContact O-CB 3.15Å; L190-I194 VanDerWaalsContact O-CD1 3.29Å; L190-I194 WeakPolarHBondContact O-CD1 3.4Å; L190-I194 WeakPolarHBondContact O-CG1 3.48Å; L190-I194 PolarHBondContact O-N 2.65Å; L190-Y199 HydrophobicContact CD2-CE2 4.42Å; L190-L218 HydrophobicContact CD2-CD1 4.3Å; L190-F226 HydrophobicContact CD1-CD1 4.46Å; L190-F226 HydrophobicContact CD1-CD2 3.73Å; L190-F226 HydrophobicContact CD1-CE1 4.25Å; L190-F226 HydrophobicContact CD1-CE2 3.48Å; L190-F226 VanDerWaalsContact CD1-CE2 3.48Å; L190-F226 HydrophobicContact CD1-CG 4.23Å; L190-F226 HydrophobicContact CD1-CZ 3.76Å; L190-F226 HydrophobicContact CD2-CD1 4.19Å; L190-F226 HydrophobicContact CD2-CE1 3.87Å; L190-F226 HydrophobicContact CD2-CZ 4.08Å; L190-A258 HydrophobicContact CB-CB 3.62Å; L190-A258 HydrophobicContact CD1-CB 4.48Å
191	T	97.1	Very high	94.7	Very high	24 Å²	24	48.5 Å²	48.5	15%	0.147	27%	0.268	C	S	.	.	H	α-helix	trans	-53.9	-45.4	173.9	-68	0	0	0	0	111.4	C187 V188 L193 A195 Y254 P257 A258	C187-T191 PolarHBondContact O-N 3.42Å; C187-T191 PolarHBondContact O-OG1 3.38Å; C187-T191 VanDerWaalsContact O-OG1 3.11Å; V188-T191 PolarHBondContact O-N 3.05Å; T191-L193 PolarHBondContact O-N 2.83Å; T191-A195 PolarHBondContact O-N 3.21Å; T191-Y254 WeakPolarHBondContact CB-O 3.19Å; T191-Y254 WeakPolarHBondContact CG2-O 3.21Å; T191-Y254 PolarHBondContact OG1-O 3.47Å; T191-P257 HydrophobicContact CG2-CB 4.03Å; T191-P257 HydrophobicContact CG2-CG 3.8Å; T191-A258 PolarHBondContact OG1-N 3.04Å
192	T	96.6	Very high	94.8	Very high	72 Å²	72	50.2 Å²	50.2	44%	0.442	28%	0.28	S	S	.	.	H	α-helix	trans	-62.2	-40.4	178.2	-53.7	0	0	0	0	112.5	V188 K189 L190	V188-T192 PolarHBondContact O-N 2.97Å; V188-T192 PolarHBondContact O-OG1 3.31Å; K189-T192 WeakPolarHBondContact O-CB 3.48Å; K189-T192 PolarHBondContact O-N 2.86Å; L190-T192 VanDerWaalsContact C-N 3.27Å; L190-T192 PolarHBondContact O-N 3.02Å
193	L	96.6	Very high	94.9	Very high	19 Å²	19	51.5 Å²	51.5	10%	0.099	29%	0.287	C	S	.	.	H	α-helix	trans	-71.9	-43.8	179.1	-70	172.4	0	0	0	112.5	K189 L190 T191 A195 Q196 Q197 Y199 L218	K189-L193 HydrophobicContact CD-CD1 4.45Å; K189-L193 HydrophobicContact CG-CD1 4.28Å; K189-L193 WeakPolarHBondContact O-CG 3.29Å; K189-L193 PolarHBondContact O-N 3.07Å; L190-L193 PolarHBondContact O-N 3.25Å; L190-L193 VanDerWaalsContact O-N 3.12Å; T191-L193 PolarHBondContact O-N 2.83Å; L193-A195 PolarHBondContact O-N 2.7Å; L193-Q196 PolarHBondContact O-N 3.44Å; L193-Q197 PolarHBondContact O-N 2.74Å; L193-Y199 HydrophobicContact CB-CE1 4.31Å; L193-L218 HydrophobicContact CD1-CD2 3.49Å; L193-L218 VanDerWaalsContact CD1-CD2 3.49Å; L193-L218 HydrophobicContact CD1-CG 4.06Å
194	I	94.9	Very high	95.1	Very high	34 Å²	34	51 Å²	51	17%	0.174	28%	0.283	C	S	.	.	H	α-helix	trans	-59.2	-36	179.4	-65.5	157.6	0	0	0	111.1	L190 Q196 Q197 Y199 A258 L261	L190-I194 HydrophobicContact CB-CD1 4.39Å; L190-I194 WeakPolarHBondContact O-CB 3.15Å; L190-I194 VanDerWaalsContact O-CD1 3.29Å; L190-I194 WeakPolarHBondContact O-CD1 3.4Å; L190-I194 WeakPolarHBondContact O-CG1 3.48Å; L190-I194 PolarHBondContact O-N 2.65Å; I194-Q196 PolarHBondContact O-N 3.02Å; I194-Q197 CarbonylContact O-C 3.59Å; I194-Y199 HydrophobicContact CG1-CD1 4.44Å; I194-A258 HydrophobicContact CD1-CB 4.37Å; I194-L261 HydrophobicContact CD1-CB 3.98Å; I194-L261 HydrophobicContact CD1-CD2 3.6Å; I194-L261 HydrophobicContact CD1-CG 4.33Å; I194-L261 HydrophobicContact CG1-CD2 3.99Å
195	A	93.1	Very high	95.4	Very high	89 Å²	89	50.6 Å²	50.6	74%	0.736	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-18.5	176.1	0	0	0	0	0	114.1	T191 L193	T191-A195 PolarHBondContact O-N 3.21Å; L193-A195 PolarHBondContact O-N 2.7Å
196	Q	92.9	Very high	95.5	Very high	150 Å²	150	49.7 Å²	49.7	70%	0.701	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-42.7	175.4	-62	173.1	22.7	0	0	111.5	L193 I194	L193-Q196 PolarHBondContact O-N 3.44Å; I194-Q196 PolarHBondContact O-N 3.02Å
197	Q	90.1	Very high	95.6	Very high	118 Å²	118	49.2 Å²	49.2	55%	0.551	27%	0.269	S	S	*	.	S	Bend	trans	-145.4	113.1	178.2	-177.1	177.4	2.7	0	0	109.7	L193 I194 Y199	L193-Q197 PolarHBondContact O-N 2.74Å; I194-Q197 CarbonylContact O-C 3.59Å; Q197-Y199 PolarHBondContact O-N 3.08Å
198	P	89.3	Confident	95.6	Very high	106 Å²	106	49.5 Å²	49.5	69%	0.688	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-58.5	134.5	174.8	-26.7	35.8	0	0	0	112.3
199	Y	91.1	Very high	95.6	Very high	17 Å²	17	51.4 Å²	51.4	7%	0.067	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-82	132.4	173.3	-87.2	50.2	0	0	0	110.2	L190 L193 I194 Q197 L201 L203 L204 F215 P216 F226 L261	L190-Y199 HydrophobicContact CD2-CE2 4.42Å; L193-Y199 HydrophobicContact CB-CE1 4.31Å; I194-Y199 HydrophobicContact CG1-CD1 4.44Å; Q197-Y199 PolarHBondContact O-N 3.08Å; Y199-L201 PolarHBondContact O-N 3.39Å; Y199-L203 HydrophobicContact CD2-CD2 4.12Å; Y199-L203 HydrophobicContact CE2-CD2 4.39Å; Y199-L204 HydrophobicContact CD2-CD1 3.82Å; Y199-F215 HydrophobicContact CE2-CB 4.04Å; Y199-F215 AromaticContact CE2-CD1 3.89Å; Y199-F215 HydrophobicContact CE2-CD1 3.89Å; Y199-F215 HydrophobicContact CE2-CG 4.37Å; Y199-P216 PolarHBondContact OH-O 3.48Å; Y199-F226 HydrophobicContact CE2-CE1 4.45Å; Y199-L261 HydrophobicContact CD2-CD2 4.32Å; Y199-L261 HydrophobicContact CG-CD2 4.12Å
200	D	93.3	Very high	95.4	Very high	86 Å²	86	50.7 Å²	50.7	46%	0.46	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-65.5	129.9	168.8	172.1	16.6	0	0	0	110.1	S202 L203	D200-S202 VanDerWaalsContact CG-OG 3.3Å; D200-S202 PolarHBondContact O-N 3.17Å; D200-S202 WeakPolarHBondContact OD1-CB 3.42Å; D200-S202 PolarHBondContact OD1-N 3.07Å; D200-S202 PolarHBondContact OD1-OG 2.99Å; D200-S202 WeakPolarHBondContact OD2-CB 3.26Å; D200-S202 PolarHBondContact OD2-OG 2.84Å; D200-S202 VanDerWaalsContact OD2-OG 3.12Å; D200-L203 HydrophobicContact CB-CB 4.49Å; D200-L203 VanDerWaalsContact O-CB 3.3Å; D200-L203 WeakPolarHBondContact O-CB 3.33Å; D200-L203 PolarHBondContact O-N 3.33Å; D200-L203 VanDerWaalsContact O-N 3.07Å
201	L	97.2	Very high	95.2	Very high	11 Å²	11	54.7 Å²	54.7	6%	0.058	31%	0.307	C	S	.	.	H	α-helix	trans	-57.5	-32.8	174.7	-59	-173.9	0	0	0	111.7	Y199 L203 L204 V205 L261 M264 A265 K268 L298 E302 F304	Y199-L201 PolarHBondContact O-N 3.39Å; L201-L203 VanDerWaalsContact C-N 3.28Å; L201-L203 PolarHBondContact O-N 2.99Å; L201-L204 PolarHBondContact O-N 3.14Å; L201-V205 WeakPolarHBondContact O-CG2 3.41Å; L201-V205 PolarHBondContact O-N 3.17Å; L201-L261 HydrophobicContact CD2-CD1 3.82Å; L201-M264 HydrophobicContact CD1-CB 3.97Å; L201-M264 HydrophobicContact CD2-CB 3.81Å; L201-A265 HydrophobicContact CD2-CB 4.38Å; L201-K268 HydrophobicContact CB-CD 3.46Å; L201-K268 VanDerWaalsContact CB-CD 3.46Å; L201-K268 HydrophobicContact CD1-CB 4.27Å; L201-K268 HydrophobicContact CD1-CD 4.13Å; L201-K268 HydrophobicContact CG-CD 4.46Å; L201-L298 HydrophobicContact CD1-CD1 4.44Å; L201-L298 HydrophobicContact CD1-CD2 4.15Å; L201-L298 HydrophobicContact CD1-CG 4.38Å; L201-E302 HydrophobicContact CD1-CG 4.36Å; L201-F304 HydrophobicContact CD1-CE1 4.16Å
202	S	97.3	Very high	94.9	Very high	35 Å²	35	62.1 Å²	62.1	25%	0.245	34%	0.342	C	S	.	.	H	α-helix	trans	-63.9	-31.7	178.1	-30.5	0	0	0	0	112.3	D200 V205 R206 K268	D200-S202 VanDerWaalsContact CG-OG 3.3Å; D200-S202 PolarHBondContact O-N 3.17Å; D200-S202 WeakPolarHBondContact OD1-CB 3.42Å; D200-S202 PolarHBondContact OD1-N 3.07Å; D200-S202 PolarHBondContact OD1-OG 2.99Å; D200-S202 WeakPolarHBondContact OD2-CB 3.26Å; D200-S202 PolarHBondContact OD2-OG 2.84Å; D200-S202 VanDerWaalsContact OD2-OG 3.12Å; S202-V205 PolarHBondContact O-N 3.5Å; S202-R206 WeakPolarHBondContact O-CB 3.23Å; S202-R206 VanDerWaalsContact O-CG 3.22Å; S202-R206 WeakPolarHBondContact O-CG 3.49Å; S202-R206 PolarHBondContact O-N 2.93Å; S202-K268 WeakPolarHBondContact OG-CE 3.21Å; S202-K268 PolarHBondContact OG-NZ 3.23Å
203	L	97.4	Very high	94.8	Very high	29 Å²	29	60.1 Å²	60.1	15%	0.152	33%	0.33	C	S	.	.	H	α-helix	trans	-62.7	-44.2	174.4	-176.3	66	0	0	0	111	Y199 D200 L201 A207 V213 F215	Y199-L203 HydrophobicContact CD2-CD2 4.12Å; Y199-L203 HydrophobicContact CE2-CD2 4.39Å; D200-L203 HydrophobicContact CB-CB 4.49Å; D200-L203 VanDerWaalsContact O-CB 3.3Å; D200-L203 WeakPolarHBondContact O-CB 3.33Å; D200-L203 PolarHBondContact O-N 3.33Å; D200-L203 VanDerWaalsContact O-N 3.07Å; L201-L203 VanDerWaalsContact C-N 3.28Å; L201-L203 PolarHBondContact O-N 2.99Å; L203-A207 PolarHBondContact O-N 3.25Å; L203-A207 VanDerWaalsContact O-N 3.11Å; L203-V213 HydrophobicContact CD1-CB 3.85Å; L203-V213 HydrophobicContact CD1-CG1 4.05Å; L203-V213 HydrophobicContact CD1-CG2 4.45Å; L203-F215 HydrophobicContact CD2-CD1 4.06Å; L203-F215 HydrophobicContact CG-CD1 4.29Å; L203-F215 HydrophobicContact CG-CE1 4.36Å
204	L	98.3	Very high	94.7	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-69	-38.9	176.7	-84.7	70.6	0	0	0	112	Y199 L201 A207 M208 F226 L230 L261 V262 A265	Y199-L204 HydrophobicContact CD2-CD1 3.82Å; L201-L204 PolarHBondContact O-N 3.14Å; L204-A207 WeakPolarHBondContact O-CB 3.4Å; L204-A207 PolarHBondContact O-N 3.08Å; L204-M208 HydrophobicContact CB-CE 4.43Å; L204-M208 VanDerWaalsContact O-CG 3.28Å; L204-M208 WeakPolarHBondContact O-CG 3.02Å; L204-M208 PolarHBondContact O-N 3.44Å; L204-F226 HydrophobicContact CD2-CZ 4.1Å; L204-F226 HydrophobicContact CG-CZ 4.18Å; L204-L230 HydrophobicContact CD2-CD2 4.18Å; L204-L230 HydrophobicContact CG-CD1 4.15Å; L204-L230 HydrophobicContact CG-CD2 4.35Å; L204-L261 HydrophobicContact CD1-CD2 4.2Å; L204-L261 HydrophobicContact CD2-CD2 4.02Å; L204-L261 HydrophobicContact CD2-CG 3.85Å; L204-V262 HydrophobicContact CD2-CG2 4.01Å; L204-A265 HydrophobicContact CB-CB 3.5Å; L204-A265 VanDerWaalsContact CB-CB 3.5Å; L204-A265 HydrophobicContact CD2-CB 3.77Å; L204-A265 HydrophobicContact CG-CB 4.29Å
205	V	98.4	Very high	94.7	Very high	23 Å²	23	63.8 Å²	63.8	14%	0.139	35%	0.354	C	S	.	.	H	α-helix	trans	-60.7	-48.1	175.9	173.5	0	0	0	0	110.5	L201 S202 A207 M208 D209 A265 K268 K269	L201-V205 WeakPolarHBondContact O-CG2 3.41Å; L201-V205 PolarHBondContact O-N 3.17Å; S202-V205 PolarHBondContact O-N 3.5Å; V205-A207 VanDerWaalsContact C-N 3.29Å; V205-A207 PolarHBondContact O-N 3.06Å; V205-M208 WeakPolarHBondContact O-CB 3.48Å; V205-M208 PolarHBondContact O-N 2.74Å; V205-D209 PolarHBondContact O-N 3.38Å; V205-D209 VanDerWaalsContact O-OD2 3.07Å; V205-A265 WeakPolarHBondContact CG2-O 3.42Å; V205-K268 HydrophobicContact CG2-CB 4.38Å; V205-K268 HydrophobicContact CG2-CD 4.33Å; V205-K268 HydrophobicContact CG2-CG 4.29Å; V205-K269 HydrophobicContact CG1-CB 4.35Å; V205-K269 HydrophobicContact CG1-CD 4.27Å; V205-K269 HydrophobicContact CG1-CG 4.26Å; V205-K269 HydrophobicContact CG2-CB 4.14Å
206	R	97.9	Very high	94.7	Very high	106 Å²	106	62 Å²	62	40%	0.4	34%	0.336	S	S	.	.	H	α-helix	trans	-59.8	-38.3	176.8	-68	174.8	60	-137.8	-9	112.5	S202 D209 G210 E211 V213	S202-R206 WeakPolarHBondContact O-CB 3.23Å; S202-R206 VanDerWaalsContact O-CG 3.22Å; S202-R206 WeakPolarHBondContact O-CG 3.49Å; S202-R206 PolarHBondContact O-N 2.93Å; R206-D209 CarbonylContact O-C 3.41Å; R206-D209 PolarHBondContact O-N 3.36Å; R206-G210 PolarHBondContact O-N 3.05Å; R206-E211 HydrophobicContact CB-CB 4.19Å; R206-E211 HydrophobicContact CB-CG 4.31Å; R206-E211 VanDerWaalsContact CG-OE1 3.24Å; R206-E211 WeakPolarHBondContact CG-OE1 3.09Å; R206-E211 IonicContact CZ-OE2 2.63Å; R206-E211 VanDerWaalsContact NE-CD 3.32Å; R206-E211 IonicContact NE-OE1 2.67Å; R206-E211 PolarHBondContact NE-OE1 3.37Å; R206-E211 IonicContact NE-OE2 3.17Å; R206-E211 PolarHBondContact NE-OE2 2.9Å; R206-E211 IonicContact NH2-OE2 3.23Å; R206-E211 PolarHBondContact NH2-OE2 3.42Å; R206-E211 WeakPolarHBondContact O-CB 3.33Å; R206-E211 PolarHBondContact O-N 3.29Å; R206-V213 HydrophobicContact CB-CG1 4.14Å
207	A	97.3	Very high	94.8	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-64	-39.7	173.1	0	0	0	0	0	113.3	L203 L204 V205 D209 G210 V213 F215 L227 L230	L203-A207 PolarHBondContact O-N 3.25Å; L203-A207 VanDerWaalsContact O-N 3.11Å; L204-A207 WeakPolarHBondContact O-CB 3.4Å; L204-A207 PolarHBondContact O-N 3.08Å; V205-A207 VanDerWaalsContact C-N 3.29Å; V205-A207 PolarHBondContact O-N 3.06Å; A207-D209 VanDerWaalsContact C-N 3.32Å; A207-G210 PolarHBondContact O-N 3.16Å; A207-G210 VanDerWaalsContact O-N 3.11Å; A207-V213 HydrophobicContact CB-CG2 3.73Å; A207-F215 HydrophobicContact CB-CE1 4.14Å; A207-F215 HydrophobicContact CB-CZ 3.72Å; A207-L227 HydrophobicContact CB-CD1 3.91Å; A207-L227 WeakPolarHBondContact O-CD1 3.34Å; A207-L230 HydrophobicContact CB-CD1 3.72Å
208	M	97.8	Very high	95.1	Very high	6 Å²	6	52.8 Å²	52.8	3%	0.03	31%	0.307	C	S	.	.	H	α-helix	trans	-64.4	-36.9	174.7	-68.9	169.1	-169.2	0	0	111.8	L204 V205 G210 L230 N234 A265 L266 K269	L204-M208 HydrophobicContact CB-CE 4.43Å; L204-M208 VanDerWaalsContact O-CG 3.28Å; L204-M208 WeakPolarHBondContact O-CG 3.02Å; L204-M208 PolarHBondContact O-N 3.44Å; V205-M208 WeakPolarHBondContact O-CB 3.48Å; V205-M208 PolarHBondContact O-N 2.74Å; M208-G210 PolarHBondContact O-N 3.05Å; M208-L230 HydrophobicContact CE-CD2 3.84Å; M208-L230 HydrophobicContact CG-CB 4.13Å; M208-N234 HydrophobicContact CB-CB 3.92Å; M208-N234 HydrophobicContact CG-CB 4.1Å; M208-N234 PolarHBondContact O-ND2 3.11Å; M208-A265 HydrophobicContact CE-CB 3.88Å; M208-L266 HydrophobicContact CE-CD2 3.73Å; M208-L266 HydrophobicContact CE-CG 3.8Å; M208-L266 HydrophobicContact SD-CD2 3.72Å; M208-L266 HydrophobicContact SD-CG 4.36Å; M208-K269 HydrophobicContact CB-CD 4.12Å; M208-K269 HydrophobicContact SD-CD 3.93Å
209	D	96.1	Very high	95.4	Very high	95 Å²	95	54.3 Å²	54.3	51%	0.508	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-0.7	172.8	-74.2	-62.4	0	0	0	114	V205 R206 A207 K269	V205-D209 PolarHBondContact O-N 3.38Å; V205-D209 VanDerWaalsContact O-OD2 3.07Å; R206-D209 CarbonylContact O-C 3.41Å; R206-D209 PolarHBondContact O-N 3.36Å; A207-D209 VanDerWaalsContact C-N 3.32Å; D209-K269 IonicContact OD1-NZ 3.37Å; D209-K269 PolarHBondContact OD1-NZ 3.41Å; D209-K269 IonicContact OD2-NZ 2.62Å; D209-K269 PolarHBondContact OD2-NZ 3.43Å
210	G	92.4	Very high	95.6	Very high	44 Å²	44	61.9 Å²	61.9	45%	0.454	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	13.8	176.5	0	0	0	0	0	115	R206 A207 M208	R206-G210 PolarHBondContact O-N 3.05Å; A207-G210 PolarHBondContact O-N 3.16Å; A207-G210 VanDerWaalsContact O-N 3.11Å; M208-G210 PolarHBondContact O-N 3.05Å
211	E	95	Very high	95.7	Very high	84 Å²	84	66.2 Å²	66.2	39%	0.393	36%	0.355	S	S	.	.			trans	-66	144.8	170.5	-67.8	-170.1	-128.9	0	0	111.6	R206 V213	R206-E211 HydrophobicContact CB-CB 4.19Å; R206-E211 HydrophobicContact CB-CG 4.31Å; R206-E211 VanDerWaalsContact CG-OE1 3.24Å; R206-E211 WeakPolarHBondContact CG-OE1 3.09Å; R206-E211 IonicContact CZ-OE2 2.63Å; R206-E211 VanDerWaalsContact NE-CD 3.32Å; R206-E211 IonicContact NE-OE1 2.67Å; R206-E211 PolarHBondContact NE-OE1 3.37Å; R206-E211 IonicContact NE-OE2 3.17Å; R206-E211 PolarHBondContact NE-OE2 2.9Å; R206-E211 IonicContact NH2-OE2 3.23Å; R206-E211 PolarHBondContact NH2-OE2 3.42Å; R206-E211 WeakPolarHBondContact O-CB 3.33Å; R206-E211 PolarHBondContact O-N 3.29Å; E211-V213 HydrophobicContact CB-CG1 4.27Å; E211-V213 PolarHBondContact O-N 3Å
212	M	90.9	Very high	95.6	Very high	180 Å²	180	67.6 Å²	67.6	89%	0.887	36%	0.361	S	S	*	.			trans	-69.7	111	169.6	-66.3	-64	169.2	0	0	109.5
213	V	93.9	Very high	95.6	Very high	30 Å²	30	66.9 Å²	66.9	18%	0.182	36%	0.358	C	S	.	.			trans	-126.4	151.6	179.8	-61.2	0	0	0	0	111.7	L203 R206 A207 E211 F215	L203-V213 HydrophobicContact CD1-CB 3.85Å; L203-V213 HydrophobicContact CD1-CG1 4.05Å; L203-V213 HydrophobicContact CD1-CG2 4.45Å; R206-V213 HydrophobicContact CB-CG1 4.14Å; A207-V213 HydrophobicContact CB-CG2 3.73Å; E211-V213 HydrophobicContact CB-CG1 4.27Å; E211-V213 PolarHBondContact O-N 3Å; V213-F215 HydrophobicContact CG2-CD1 4.42Å; V213-F215 HydrophobicContact CG2-CE1 3.8Å; V213-F215 HydrophobicContact CG2-CE2 4.16Å; V213-F215 HydrophobicContact CG2-CZ 3.65Å
214	T	93.4	Very high	95.5	Very high	126 Å²	126	68 Å²	68	77%	0.773	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-102.8	128.4	170.6	-50.8	0	0	0	0	109.2
215	F	95.3	Very high	95.4	Very high	5 Å²	5	69.8 Å²	69.8	2%	0.022	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-94.6	117.2	175.8	-63	-60.6	0	0	0	110.6	Y199 L203 A207 V213 G217 L218 A223 F226 L227 L230	Y199-F215 HydrophobicContact CE2-CB 4.04Å; Y199-F215 AromaticContact CE2-CD1 3.89Å; Y199-F215 HydrophobicContact CE2-CD1 3.89Å; Y199-F215 HydrophobicContact CE2-CG 4.37Å; L203-F215 HydrophobicContact CD2-CD1 4.06Å; L203-F215 HydrophobicContact CG-CD1 4.29Å; L203-F215 HydrophobicContact CG-CE1 4.36Å; A207-F215 HydrophobicContact CB-CE1 4.14Å; A207-F215 HydrophobicContact CB-CZ 3.72Å; V213-F215 HydrophobicContact CG2-CD1 4.42Å; V213-F215 HydrophobicContact CG2-CE1 3.8Å; V213-F215 HydrophobicContact CG2-CE2 4.16Å; V213-F215 HydrophobicContact CG2-CZ 3.65Å; F215-G217 PolarHBondContact O-N 3Å; F215-L218 HydrophobicContact CB-CB 4.19Å; F215-L218 HydrophobicContact CB-CD1 3.74Å; F215-L218 HydrophobicContact CB-CG 4.07Å; F215-L218 HydrophobicContact CD2-CD1 4.18Å; F215-L218 HydrophobicContact CG-CD1 4.19Å; F215-L218 PolarHBondContact O-N 3.1Å; F215-A223 HydrophobicContact CD2-CB 3.87Å; F215-F226 HydrophobicContact CD1-CD1 4.03Å; F215-F226 AromaticContact CD1-CE1 3.95Å; F215-F226 HydrophobicContact CD1-CE1 3.95Å; F215-F226 AromaticContact CD2-CD1 3.81Å; F215-F226 HydrophobicContact CD2-CD1 3.81Å; F215-F226 AromaticContact CE1-CD1 3.95Å; F215-F226 HydrophobicContact CE1-CD1 3.95Å; F215-F226 AromaticContact CE1-CE1 3.8Å; F215-F226 HydrophobicContact CE1-CE1 3.8Å; F215-F226 AromaticContact CE2-CD1 3.71Å; F215-F226 HydrophobicContact CE2-CD1 3.71Å; F215-F226 HydrophobicContact CE2-CE1 4.4Å; F215-F226 HydrophobicContact CE2-CG 4.45Å; F215-F226 AromaticContact CG-CD1 3.96Å; F215-F226 HydrophobicContact CG-CD1 3.96Å; F215-F226 HydrophobicContact CG-CE1 4.31Å; F215-F226 AromaticContact CZ-CD1 3.78Å; F215-F226 HydrophobicContact CZ-CD1 3.78Å; F215-F226 HydrophobicContact CZ-CE1 4.03Å; F215-L227 HydrophobicContact CE2-CB 4.38Å; F215-L230 HydrophobicContact CE1-CD1 4.23Å; F215-L230 HydrophobicContact CZ-CD1 3.81Å
216	P	93.6	Very high	95.3	Very high	52 Å²	52	68.7 Å²	68.7	34%	0.338	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	118.9	-176.8	-26.1	35.7	0	0	0	113.2	Y199	Y199-P216 PolarHBondContact OH-O 3.48Å
217	G	94.3	Very high	95.3	Very high	51 Å²	51	65.6 Å²	65.6	53%	0.526	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	8.8	177.2	0	0	0	0	0	116.2	K189 F215	K189-G217 WeakPolarHBondContact CE-O 3.45Å; F215-G217 PolarHBondContact O-N 3Å
218	L	96.3	Very high	95.3	Very high	23 Å²	23	67.8 Å²	67.8	12%	0.12	38%	0.379	C	S	.	.			trans	-99.7	139.4	166.3	-62.8	-173.7	0	0	0	111.1	M186 K189 L190 L193 F215 E222 A223 F226	M186-L218 HydrophobicContact CE-CD2 4.41Å; M186-L218 HydrophobicContact SD-CD1 4.23Å; M186-L218 HydrophobicContact SD-CD2 3.95Å; K189-L218 HydrophobicContact CG-CD2 3.78Å; L190-L218 HydrophobicContact CD2-CD1 4.3Å; L193-L218 HydrophobicContact CD1-CD2 3.49Å; L193-L218 VanDerWaalsContact CD1-CD2 3.49Å; L193-L218 HydrophobicContact CD1-CG 4.06Å; F215-L218 HydrophobicContact CB-CB 4.19Å; F215-L218 HydrophobicContact CB-CD1 3.74Å; F215-L218 HydrophobicContact CB-CG 4.07Å; F215-L218 HydrophobicContact CD2-CD1 4.18Å; F215-L218 HydrophobicContact CG-CD1 4.19Å; F215-L218 PolarHBondContact O-N 3.1Å; L218-E222 WeakPolarHBondContact CA-OE2 3.42Å; L218-E222 HydrophobicContact CB-CB 3.9Å; L218-E222 HydrophobicContact CD2-CB 4.09Å; L218-E222 HydrophobicContact CG-CB 4.4Å; L218-A223 HydrophobicContact CB-CB 4.27Å; L218-F226 HydrophobicContact CD1-CB 4.06Å; L218-F226 HydrophobicContact CD1-CD1 3.81Å; L218-F226 HydrophobicContact CD1-CG 4.29Å
219	E	96.1	Very high	95.2	Very high	137 Å²	137	67.5 Å²	67.5	64%	0.64	38%	0.377	S	S	*	.			trans	-69.8	164.5	166.8	-64.5	-179.2	-166.2	0	0	111.5	K221 E222 A223	E219-K221 VanDerWaalsContact C-N 3.31Å; E219-K221 PolarHBondContact O-N 3.38Å; E219-E222 HydrophobicContact CB-CB 4.43Å; E219-E222 HydrophobicContact CB-CG 4.18Å; E219-E222 PolarHBondContact N-OE2 2.77Å; E219-E222 WeakPolarHBondContact O-CA 3.4Å; E219-E222 WeakPolarHBondContact O-CB 3.37Å; E219-E222 PolarHBondContact O-N 3.18Å; E219-A223 WeakPolarHBondContact O-CB 3.23Å; E219-A223 PolarHBondContact O-N 2.81Å
220	E	95.1	Very high	95.4	Very high	176 Å²	176	63 Å²	63	82%	0.822	35%	0.353	S	S	*	.	H	α-helix	trans	-52.2	-45	-178.7	-174.9	-176.7	-169.9	0	0	113.2	A223 A224	E220-A223 PolarHBondContact O-N 2.98Å; E220-A224 WeakPolarHBondContact O-CB 3.44Å; E220-A224 PolarHBondContact O-N 2.98Å
221	K	94.9	Very high	95.6	Very high	177 Å²	177	64 Å²	64	77%	0.77	35%	0.346	S	S	*	.	H	α-helix	trans	-69.8	-34.8	178.1	-65.9	178.7	-177.7	172.8	0	112.7	E219 H225	E219-K221 VanDerWaalsContact C-N 3.31Å; E219-K221 PolarHBondContact O-N 3.38Å; K221-H225 WeakPolarHBondContact O-CB 3.32Å; K221-H225 PolarHBondContact O-N 3.12Å
222	E	96.1	Very high	95.7	Very high	41 Å²	41	60.2 Å²	60.2	19%	0.192	33%	0.328	C	S	.	.	H	α-helix	trans	-69.5	-43.3	176.3	-67.7	-174	127.7	0	0	111.1	M186 K189 L218 E219 H225 F226	M186-E222 HydrophobicContact CE-CB 3.53Å; M186-E222 HydrophobicContact CE-CG 3.85Å; K189-E222 IonicContact NZ-OE1 2.75Å; K189-E222 PolarHBondContact NZ-OE1 3.36Å; K189-E222 IonicContact NZ-OE2 3.41Å; K189-E222 PolarHBondContact NZ-OE2 2.86Å; L218-E222 WeakPolarHBondContact CA-OE2 3.42Å; L218-E222 HydrophobicContact CB-CB 3.9Å; L218-E222 HydrophobicContact CD2-CB 4.09Å; L218-E222 HydrophobicContact CG-CB 4.4Å; E219-E222 HydrophobicContact CB-CB 4.43Å; E219-E222 HydrophobicContact CB-CG 4.18Å; E219-E222 PolarHBondContact N-OE2 2.77Å; E219-E222 WeakPolarHBondContact O-CA 3.4Å; E219-E222 WeakPolarHBondContact O-CB 3.37Å; E219-E222 PolarHBondContact O-N 3.18Å; E222-H225 PolarHBondContact O-N 3.01Å; E222-F226 WeakPolarHBondContact O-CB 3.34Å; E222-F226 PolarHBondContact O-N 3.33Å
223	A	96.5	Very high	96.1	Very high	20 Å²	20	51.7 Å²	51.7	17%	0.165	29%	0.286	C	S	.	.	H	α-helix	trans	-63	-43.5	175.6	0	0	0	0	0	111.8	F215 L218 E219 E220 F226 L227	F215-A223 HydrophobicContact CD2-CB 3.87Å; L218-A223 HydrophobicContact CB-CB 4.27Å; E219-A223 WeakPolarHBondContact O-CB 3.23Å; E219-A223 PolarHBondContact O-N 2.81Å; E220-A223 PolarHBondContact O-N 2.98Å; A223-F226 PolarHBondContact O-N 2.87Å; A223-L227 VanDerWaalsContact O-CB 3.31Å; A223-L227 WeakPolarHBondContact O-CB 3.47Å; A223-L227 PolarHBondContact O-N 2.96Å
224	A	95.7	Very high	96.3	Very high	51 Å²	51	50.7 Å²	50.7	42%	0.421	28%	0.28	S	S	.	.	H	α-helix	trans	-62.4	-46.1	174.9	0	0	0	0	0	112.1	E220 L227 C228	E220-A224 WeakPolarHBondContact O-CB 3.44Å; E220-A224 PolarHBondContact O-N 2.98Å; A224-L227 PolarHBondContact O-N 3.41Å; A224-C228 PolarHBondContact O-N 3.15Å; A224-C228 PolarHBondContact O-SG 3.01Å; A224-C228 VanDerWaalsContact O-SG 3.39Å
225	H	96.2	Very high	96.6	Very high	38 Å²	38	49.2 Å²	49.2	18%	0.176	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-44.8	175.8	178.9	51	0	0	0	112.4	E146 S183 K221 E222 C228 G229	E146-H225 IonicContact OE1-CE1 2.68Å; E146-H225 PolarHBondContact OE1-CE1 3.13Å; E146-H225 IonicContact OE1-ND1 2.78Å; E146-H225 PolarHBondContact OE1-ND1 2.67Å; S183-H225 VanDerWaalsContact CB-NE2 3.33Å; S183-H225 WeakPolarHBondContact CB-NE2 3.33Å; S183-H225 PolarHBondContact OG-NE2 2.96Å; K221-H225 WeakPolarHBondContact O-CB 3.32Å; K221-H225 PolarHBondContact O-N 3.12Å; E222-H225 PolarHBondContact O-N 3.01Å; H225-C228 PolarHBondContact O-N 2.94Å; H225-G229 PolarHBondContact O-N 3.35Å
226	F	97.4	Very high	96.7	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.7	-41.4	176.6	-176.8	-143.2	0	0	0	111.8	L182 M186 L190 Y199 L204 F215 L218 E222 A223 G229 L230 V262	L182-F226 HydrophobicContact CD1-CD2 4.12Å; L182-F226 HydrophobicContact CD2-CD2 3.86Å; L182-F226 HydrophobicContact CD2-CE2 3.99Å; M186-F226 HydrophobicContact CG-CB 4.3Å; M186-F226 HydrophobicContact SD-CB 4.34Å; L190-F226 HydrophobicContact CD1-CD1 4.46Å; L190-F226 HydrophobicContact CD1-CD2 3.73Å; L190-F226 HydrophobicContact CD1-CE1 4.25Å; L190-F226 HydrophobicContact CD1-CE2 3.48Å; L190-F226 VanDerWaalsContact CD1-CE2 3.48Å; L190-F226 HydrophobicContact CD1-CG 4.23Å; L190-F226 HydrophobicContact CD1-CZ 3.76Å; L190-F226 HydrophobicContact CD2-CD1 4.19Å; L190-F226 HydrophobicContact CD2-CE1 3.87Å; L190-F226 HydrophobicContact CD2-CZ 4.08Å; Y199-F226 HydrophobicContact CE2-CE1 4.45Å; L204-F226 HydrophobicContact CD2-CZ 4.1Å; L204-F226 HydrophobicContact CG-CZ 4.18Å; F215-F226 HydrophobicContact CD1-CD1 4.03Å; F215-F226 AromaticContact CD1-CE1 3.95Å; F215-F226 HydrophobicContact CD1-CE1 3.95Å; F215-F226 AromaticContact CD2-CD1 3.81Å; F215-F226 HydrophobicContact CD2-CD1 3.81Å; F215-F226 AromaticContact CE1-CD1 3.95Å; F215-F226 HydrophobicContact CE1-CD1 3.95Å; F215-F226 AromaticContact CE1-CE1 3.8Å; F215-F226 HydrophobicContact CE1-CE1 3.8Å; F215-F226 AromaticContact CE2-CD1 3.71Å; F215-F226 HydrophobicContact CE2-CD1 3.71Å; F215-F226 HydrophobicContact CE2-CE1 4.4Å; F215-F226 HydrophobicContact CE2-CG 4.45Å; F215-F226 AromaticContact CG-CD1 3.96Å; F215-F226 HydrophobicContact CG-CD1 3.96Å; F215-F226 HydrophobicContact CG-CE1 4.31Å; F215-F226 AromaticContact CZ-CD1 3.78Å; F215-F226 HydrophobicContact CZ-CD1 3.78Å; F215-F226 HydrophobicContact CZ-CE1 4.03Å; L218-F226 HydrophobicContact CD1-CB 4.06Å; L218-F226 HydrophobicContact CD1-CD1 3.81Å; L218-F226 HydrophobicContact CD1-CG 4.29Å; E222-F226 WeakPolarHBondContact O-CB 3.34Å; E222-F226 PolarHBondContact O-N 3.33Å; A223-F226 PolarHBondContact O-N 2.87Å; F226-G229 WeakPolarHBondContact O-CA 3.32Å; F226-G229 PolarHBondContact O-N 3.22Å; F226-G229 VanDerWaalsContact O-N 3.13Å; F226-L230 HydrophobicContact CD1-CD1 4.3Å; F226-L230 HydrophobicContact CD2-CD1 4.36Å; F226-L230 HydrophobicContact CD2-CD2 4.4Å; F226-L230 HydrophobicContact CD2-CG 4.02Å; F226-L230 HydrophobicContact CE1-CD1 3.98Å; F226-L230 HydrophobicContact CE2-CD1 4.03Å; F226-L230 HydrophobicContact CE2-CD2 3.67Å; F226-L230 HydrophobicContact CE2-CG 3.75Å; F226-L230 HydrophobicContact CG-CD1 4.49Å; F226-L230 HydrophobicContact CZ-CD1 3.84Å; F226-L230 HydrophobicContact CZ-CD2 3.94Å; F226-L230 HydrophobicContact CZ-CG 4.06Å; F226-L230 WeakPolarHBondContact O-CG 3.46Å; F226-L230 PolarHBondContact O-N 2.95Å; F226-V262 HydrophobicContact CE2-CG2 3.94Å; F226-V262 HydrophobicContact CZ-CG2 4.22Å
227	L	97.3	Very high	96.9	Very high	41 Å²	41	46.7 Å²	46.7	22%	0.215	25%	0.247	C	C	.	.	H	α-helix	trans	-60.3	-45.2	175.1	-177.5	62.4	0	0	0	111.8	A207 F215 A223 A224 G229 L230 Q231	A207-L227 HydrophobicContact CB-CD1 3.91Å; A207-L227 WeakPolarHBondContact O-CD1 3.34Å; F215-L227 HydrophobicContact CE2-CB 4.38Å; A223-L227 VanDerWaalsContact O-CB 3.31Å; A223-L227 WeakPolarHBondContact O-CB 3.47Å; A223-L227 PolarHBondContact O-N 2.96Å; A224-L227 PolarHBondContact O-N 3.41Å; L227-G229 VanDerWaalsContact C-N 3.29Å; L227-G229 PolarHBondContact O-N 3.08Å; L227-L230 PolarHBondContact O-N 3.45Å; L227-Q231 HydrophobicContact CD1-CG 4.44Å; L227-Q231 WeakPolarHBondContact O-CB 3.41Å; L227-Q231 WeakPolarHBondContact O-CG 3.38Å; L227-Q231 PolarHBondContact O-N 3.21Å
228	C	96.3	Very high	97.1	Very high	47 Å²	47	48.8 Å²	48.8	32%	0.318	24%	0.243	S	C	.	.	H	α-helix	trans	-57.9	-42	172.8	-70.4	0	0	0	0	111.8	E146 A224 H225 Q231 R232	E146-C228 WeakPolarHBondContact OE2-CB 3.33Å; A224-C228 PolarHBondContact O-N 3.15Å; A224-C228 PolarHBondContact O-SG 3.01Å; A224-C228 VanDerWaalsContact O-SG 3.39Å; H225-C228 PolarHBondContact O-N 2.94Å; C228-Q231 PolarHBondContact O-N 3.48Å; C228-R232 WeakPolarHBondContact O-CB 3.38Å; C228-R232 WeakPolarHBondContact O-CG 3.29Å; C228-R232 PolarHBondContact O-N 2.96Å
229	G	97.3	Very high	97.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58.9	-50.7	173.4	0	0	0	0	0	113.7	L181 H225 F226 L227 Q231 R232 L233	L181-G229 WeakPolarHBondContact O-CA 3.46Å; H225-G229 PolarHBondContact O-N 3.35Å; F226-G229 WeakPolarHBondContact O-CA 3.32Å; F226-G229 PolarHBondContact O-N 3.22Å; F226-G229 VanDerWaalsContact O-N 3.13Å; L227-G229 VanDerWaalsContact C-N 3.29Å; L227-G229 PolarHBondContact O-N 3.08Å; G229-Q231 VanDerWaalsContact C-N 3.33Å; G229-Q231 PolarHBondContact O-N 2.69Å; G229-R232 PolarHBondContact O-N 3.03Å; G229-L233 WeakPolarHBondContact O-CB 3.28Å; G229-L233 WeakPolarHBondContact O-CG 3.34Å; G229-L233 PolarHBondContact O-N 2.86Å
230	L	98.4	Very high	97.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.9	-40.4	177.2	-66.6	178.2	0	0	0	111.8	L204 A207 M208 F215 F226 L227 L233 N234 V262	L204-L230 HydrophobicContact CD2-CD2 4.18Å; L204-L230 HydrophobicContact CG-CD1 4.15Å; L204-L230 HydrophobicContact CG-CD2 4.35Å; A207-L230 HydrophobicContact CB-CD1 3.72Å; M208-L230 HydrophobicContact CE-CD2 3.84Å; M208-L230 HydrophobicContact CG-CB 4.13Å; F215-L230 HydrophobicContact CE1-CD1 4.23Å; F215-L230 HydrophobicContact CZ-CD1 3.81Å; F226-L230 HydrophobicContact CD1-CD1 4.3Å; F226-L230 HydrophobicContact CD2-CD1 4.36Å; F226-L230 HydrophobicContact CD2-CD2 4.4Å; F226-L230 HydrophobicContact CD2-CG 4.02Å; F226-L230 HydrophobicContact CE1-CD1 3.98Å; F226-L230 HydrophobicContact CE2-CD1 4.03Å; F226-L230 HydrophobicContact CE2-CD2 3.67Å; F226-L230 HydrophobicContact CE2-CG 3.75Å; F226-L230 HydrophobicContact CG-CD1 4.49Å; F226-L230 HydrophobicContact CZ-CD1 3.84Å; F226-L230 HydrophobicContact CZ-CD2 3.94Å; F226-L230 HydrophobicContact CZ-CG 4.06Å; F226-L230 WeakPolarHBondContact O-CG 3.46Å; F226-L230 PolarHBondContact O-N 2.95Å; L227-L230 PolarHBondContact O-N 3.45Å; L230-L233 PolarHBondContact O-N 3.44Å; L230-N234 VanDerWaalsContact O-CB 3.26Å; L230-N234 WeakPolarHBondContact O-CB 3.39Å; L230-N234 PolarHBondContact O-N 2.98Å; L230-V262 HydrophobicContact CD2-CG1 3.9Å; L230-V262 HydrophobicContact CD2-CG2 4.16Å
231	Q	97.6	Very high	97.3	Very high	64 Å²	64	35.1 Å²	35.1	30%	0.299	18%	0.184	S	C	.	.	H	α-helix	trans	-67.7	-40.5	176.7	-72.1	178.5	8.9	0	0	112.8	L227 C228 G229 N234 K235	L227-Q231 HydrophobicContact CD1-CG 4.44Å; L227-Q231 WeakPolarHBondContact O-CB 3.41Å; L227-Q231 WeakPolarHBondContact O-CG 3.38Å; L227-Q231 PolarHBondContact O-N 3.21Å; C228-Q231 PolarHBondContact O-N 3.48Å; G229-Q231 VanDerWaalsContact C-N 3.33Å; G229-Q231 PolarHBondContact O-N 2.69Å; Q231-N234 PolarHBondContact O-N 3.46Å; Q231-K235 VanDerWaalsContact O-CG 3.31Å; Q231-K235 WeakPolarHBondContact O-CG 3.43Å; Q231-K235 PolarHBondContact O-N 2.86Å; Q231-K235 VanDerWaalsContact O-N 3.08Å
232	R	97.9	Very high	97.3	Very high	5 Å²	5	32.5 Å²	32.5	2%	0.019	18%	0.179	C	C	.	.	H	α-helix	trans	-64.8	-40.7	175.2	-73.5	-173.4	-100.2	88.8	-1.3	111.3	E146 Y149 D150 M153 L181 C228 G229 V236	E146-R232 IonicContact OE1-NH2 2.81Å; E146-R232 PolarHBondContact OE1-NH2 2.8Å; E146-R232 IonicContact OE2-CZ 3.56Å; E146-R232 IonicContact OE2-NE 2.68Å; E146-R232 IonicContact OE2-NH2 3.51Å; E146-R232 PolarHBondContact OE2-NH2 2.89Å; Y149-R232 VanDerWaalsContact CB-CZ 3.42Å; Y149-R232 VanDerWaalsContact CB-NH1 3.31Å; D150-R232 WeakPolarHBondContact OD1-CD 3.35Å; D150-R232 IonicContact OD1-NE 3.17Å; M153-R232 HydrophobicContact CE-CG 4.4Å; M153-R232 HydrophobicContact CG-CB 4.45Å; M153-R232 HydrophobicContact SD-CB 3.92Å; M153-R232 HydrophobicContact SD-CG 3.76Å; L181-R232 HydrophobicContact CD2-CB 4.38Å; L181-R232 PolarHBondContact O-NH1 3.49Å; C228-R232 WeakPolarHBondContact O-CB 3.38Å; C228-R232 WeakPolarHBondContact O-CG 3.29Å; C228-R232 PolarHBondContact O-N 2.96Å; G229-R232 PolarHBondContact O-N 3.03Å; R232-V236 PolarHBondContact O-N 2.84Å
233	L	98.4	Very high	97.3	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-66.6	-40.9	173.8	-75.3	163.3	0	0	0	112.9	L176 I178 L181 G229 L230 V236 A237 V262 L266	L176-L233 HydrophobicContact CD1-CD2 4.15Å; L176-L233 HydrophobicContact CD2-CD2 3.8Å; I178-L233 HydrophobicContact CD1-CD1 3.88Å; I178-L233 HydrophobicContact CD1-CD2 3.69Å; I178-L233 HydrophobicContact CD1-CG 4.48Å; I178-L233 HydrophobicContact CG2-CD1 4.45Å; L181-L233 HydrophobicContact CB-CD2 4.03Å; L181-L233 HydrophobicContact CB-CG 3.99Å; L181-L233 HydrophobicContact CD1-CD2 3.64Å; L181-L233 HydrophobicContact CD1-CG 4.08Å; L181-L233 HydrophobicContact CG-CD2 4.44Å; G229-L233 WeakPolarHBondContact O-CB 3.28Å; G229-L233 WeakPolarHBondContact O-CG 3.34Å; G229-L233 PolarHBondContact O-N 2.86Å; L230-L233 PolarHBondContact O-N 3.44Å; L233-V236 PolarHBondContact O-N 2.83Å; L233-A237 PolarHBondContact O-N 2.84Å; L233-V262 HydrophobicContact CD1-CG1 3.65Å; L233-L266 HydrophobicContact CB-CD1 4.44Å
234	N	98.6	Very high	97.3	Very high	9 Å²	9	33.6 Å²	33.6	5%	0.048	18%	0.179	C	C	.	.	H	α-helix	trans	-59.7	-48.7	177.2	-171.6	57.8	0	0	0	111.4	M208 L230 Q231 V236 A237 E238 K269 F270	M208-N234 HydrophobicContact CB-CB 3.92Å; M208-N234 HydrophobicContact CG-CB 4.1Å; M208-N234 PolarHBondContact O-ND2 3.11Å; L230-N234 VanDerWaalsContact O-CB 3.26Å; L230-N234 WeakPolarHBondContact O-CB 3.39Å; L230-N234 PolarHBondContact O-N 2.98Å; Q231-N234 PolarHBondContact O-N 3.46Å; N234-V236 VanDerWaalsContact C-N 3.3Å; N234-V236 PolarHBondContact O-N 3.27Å; N234-A237 WeakPolarHBondContact O-CB 3.49Å; N234-A237 PolarHBondContact O-N 3.49Å; N234-E238 PolarHBondContact ND2-OE1 2.62Å; N234-E238 PolarHBondContact ND2-OE2 2.81Å; N234-E238 WeakPolarHBondContact O-CG 3.5Å; N234-E238 PolarHBondContact O-N 2.88Å; N234-K269 WeakPolarHBondContact OD1-CD 3.31Å; N234-K269 WeakPolarHBondContact OD1-CE 3.38Å; N234-F270 WeakPolarHBondContact OD1-CE2 3.44Å; N234-F270 WeakPolarHBondContact OD1-CZ 3.37Å
235	K	98.6	Very high	97.4	Very high	95 Å²	95	33.2 Å²	33.2	41%	0.413	17%	0.167	S	C	.	.	H	α-helix	trans	-56.2	-41	177.4	-71.8	164.5	-176.5	170.8	0	112.9	M153 Q231 A239	M153-K235 HydrophobicContact CE-CD 4.45Å; M153-K235 HydrophobicContact SD-CB 4.11Å; M153-K235 HydrophobicContact SD-CD 3.67Å; Q231-K235 VanDerWaalsContact O-CG 3.31Å; Q231-K235 WeakPolarHBondContact O-CG 3.43Å; Q231-K235 PolarHBondContact O-N 2.86Å; Q231-K235 VanDerWaalsContact O-N 3.08Å; K235-A239 WeakPolarHBondContact O-CB 3.19Å; K235-A239 PolarHBondContact O-N 3Å
236	V	98.4	Very high	97.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-68.4	-40.1	176.4	177.6	0	0	0	0	111.2	M153 M156 L157 L176 L181 R232 L233 N234 A239 S240	M153-V236 HydrophobicContact CG-CG2 4Å; M156-V236 HydrophobicContact CB-CG1 4.17Å; M156-V236 HydrophobicContact CB-CG2 4Å; L157-V236 HydrophobicContact CD2-CG2 4.21Å; L157-V236 HydrophobicContact CG-CG2 4.28Å; L176-V236 HydrophobicContact CD1-CB 4.49Å; L176-V236 HydrophobicContact CD1-CG1 3.87Å; L181-V236 HydrophobicContact CD1-CG2 4.16Å; R232-V236 PolarHBondContact O-N 2.84Å; L233-V236 PolarHBondContact O-N 2.83Å; N234-V236 VanDerWaalsContact C-N 3.3Å; N234-V236 PolarHBondContact O-N 3.27Å; V236-A239 PolarHBondContact O-N 2.63Å; V236-S240 WeakPolarHBondContact O-CB 3.37Å; V236-S240 PolarHBondContact O-N 3.16Å; V236-S240 PolarHBondContact O-OG 3.46Å
237	A	98.3	Very high	97.5	Very high	3 Å²	3	31.5 Å²	31.5	3%	0.025	16%	0.159	C	C	.	.	H	α-helix	trans	-65.4	-46.1	176.1	0	0	0	0	0	112.3	L233 N234 A239 S240 V241 L266 F270 I277	L233-A237 PolarHBondContact O-N 2.84Å; N234-A237 WeakPolarHBondContact O-CB 3.49Å; N234-A237 PolarHBondContact O-N 3.49Å; A237-A239 VanDerWaalsContact C-N 3.32Å; A237-A239 PolarHBondContact O-N 3.39Å; A237-S240 PolarHBondContact O-N 3.04Å; A237-V241 VanDerWaalsContact O-CG2 3.25Å; A237-V241 WeakPolarHBondContact O-CG2 3.32Å; A237-V241 PolarHBondContact O-N 3.33Å; A237-L266 HydrophobicContact CB-CD2 4.04Å; A237-F270 HydrophobicContact CB-CD2 3.65Å; A237-F270 HydrophobicContact CB-CE2 3.37Å; A237-F270 HydrophobicContact CB-CG 4.48Å; A237-F270 HydrophobicContact CB-CZ 3.99Å; A237-I277 HydrophobicContact CB-CD1 3.97Å
238	E	98.4	Very high	97.6	Very high	95 Å²	95	29.6 Å²	29.6	44%	0.444	15%	0.149	S	C	.	.	H	α-helix	trans	-59.1	-40.8	175	-69.8	172.5	159.4	0	0	112.4	N234 S240 F270	N234-E238 PolarHBondContact ND2-OE1 2.62Å; N234-E238 PolarHBondContact ND2-OE2 2.81Å; N234-E238 WeakPolarHBondContact O-CG 3.5Å; N234-E238 PolarHBondContact O-N 2.88Å; E238-S240 VanDerWaalsContact C-N 3.29Å; E238-S240 PolarHBondContact O-N 2.58Å; E238-F270 HydrophobicContact CG-CE1 3.89Å; E238-F270 HydrophobicContact CG-CZ 3.65Å
239	A	98.1	Very high	97.5	Very high	25 Å²	25	28.7 Å²	28.7	21%	0.207	14%	0.141	C	C	.	.	H	α-helix	trans	-64.6	-34.7	173.9	0	0	0	0	0	112.3	L157 V160 K235 V236 A237 K243	L157-A239 HydrophobicContact CD2-CB 3.43Å; L157-A239 VanDerWaalsContact CD2-CB 3.43Å; V160-A239 HydrophobicContact CG1-CB 4.38Å; K235-A239 WeakPolarHBondContact O-CB 3.19Å; K235-A239 PolarHBondContact O-N 3Å; V236-A239 PolarHBondContact O-N 2.63Å; A237-A239 VanDerWaalsContact C-N 3.32Å; A237-A239 PolarHBondContact O-N 3.39Å; A239-K243 WeakPolarHBondContact O-CD 3.4Å; A239-K243 PolarHBondContact O-NZ 3.39Å
240	S	97.4	Very high	97.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-85.1	-39.5	-173.1	-57.8	0	0	0	0	114.5	V160 V236 A237 E238 K243 V244 V246	V160-S240 WeakPolarHBondContact CG2-OG 3.37Å; V236-S240 WeakPolarHBondContact O-CB 3.37Å; V236-S240 PolarHBondContact O-N 3.16Å; V236-S240 PolarHBondContact O-OG 3.46Å; A237-S240 PolarHBondContact O-N 3.04Å; E238-S240 VanDerWaalsContact C-N 3.29Å; E238-S240 PolarHBondContact O-N 2.58Å; S240-K243 CarbonylContact O-C 3.57Å; S240-K243 WeakPolarHBondContact O-CA 3.34Å; S240-K243 WeakPolarHBondContact O-CB 3.47Å; S240-K243 PolarHBondContact O-N 2.85Å; S240-V244 CarbonylContact C-O 3.58Å; S240-V244 PolarHBondContact O-N 2.99Å; S240-V246 VanDerWaalsContact CB-CG2 3.47Å; S240-V246 WeakPolarHBondContact OG-CG2 3.43Å
241	V	96.3	Very high	97.2	Very high	24 Å²	24	29.4 Å²	29.4	15%	0.145	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	140.4	-172.9	167.2	0	0	0	0	111.4	A237 K243 F270 W276	A237-V241 VanDerWaalsContact O-CG2 3.25Å; A237-V241 WeakPolarHBondContact O-CG2 3.32Å; A237-V241 PolarHBondContact O-N 3.33Å; V241-K243 PolarHBondContact O-N 3.36Å; V241-F270 HydrophobicContact CB-CD1 4.5Å; V241-F270 HydrophobicContact CG2-CB 3.71Å; V241-F270 HydrophobicContact CG2-CD1 3.75Å; V241-F270 HydrophobicContact CG2-CG 3.81Å; V241-W276 HydrophobicContact CB-CG 4.45Å; V241-W276 HydrophobicContact CG1-CG 4.18Å; V241-W276 HydrophobicContact CG2-CB 3.87Å; V241-W276 HydrophobicContact CG2-CG 4.13Å
242	N	94.3	Very high	97	Very high	123 Å²	123	26.9 Å²	26.9	66%	0.658	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	7.3	-170.7	-56.8	-36	0	0	0	115.7	W276	N242-W276 HydrophobicContact CB-CZ2 4.42Å; N242-W276 WeakPolarHBondContact OD1-CZ2 3.48Å; N242-W276 PolarHBondContact OD1-NE1 3.44Å
243	K	95.6	Very high	96.9	Very high	83 Å²	83	28.3 Å²	28.3	36%	0.361	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.9	-51.2	-179.1	-57.4	179.8	-150.2	132.7	0	113.5	H164 P172 A239 S240 V241	H164-K243 HydrophobicContact CB-CB 4.35Å; P172-K243 WeakPolarHBondContact CG-O 3.32Å; A239-K243 WeakPolarHBondContact O-CD 3.4Å; A239-K243 PolarHBondContact O-NZ 3.39Å; S240-K243 CarbonylContact O-C 3.57Å; S240-K243 WeakPolarHBondContact O-CA 3.34Å; S240-K243 WeakPolarHBondContact O-CB 3.47Å; S240-K243 PolarHBondContact O-N 2.85Å; V241-K243 PolarHBondContact O-N 3.36Å
244	V	96.8	Very high	96.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.			trans	-141.2	138.1	-173	-174.6	0	0	0	0	108.5	V160 H164 P172 M174 S240	V160-V244 HydrophobicContact CG1-CG2 4.07Å; H164-V244 HydrophobicContact CB-CG2 3.97Å; P172-V244 HydrophobicContact CG-CG2 4.19Å; P172-V244 WeakPolarHBondContact O-CA 3.25Å; M174-V244 HydrophobicContact CB-CG1 4.15Å; M174-V244 HydrophobicContact CG-CG1 4.01Å; S240-V244 CarbonylContact C-O 3.58Å; S240-V244 PolarHBondContact O-N 2.99Å
245	R	97.5	Very high	96.5	Very high	43 Å²	43	32.1 Å²	32.1	16%	0.162	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	133.8	173.8	-62.5	171.4	177.9	83.5	-16.1	110.5	D171 P172 M173 M174 L247 W276	D171-R245 IonicContact OD1-CZ 2.93Å; D171-R245 VanDerWaalsContact OD1-CZ 3.27Å; D171-R245 IonicContact OD1-NH1 2.69Å; D171-R245 PolarHBondContact OD1-NH1 3.05Å; D171-R245 IonicContact OD1-NH2 3Å; D171-R245 PolarHBondContact OD1-NH2 3.45Å; P172-R245 PolarHBondContact O-N 2.85Å; M173-R245 CarbonylContact C-O 3.47Å; M173-R245 VanDerWaalsContact CA-O 3.32Å; M173-R245 WeakPolarHBondContact CA-O 3.27Å; M173-R245 HydrophobicContact CG-CB 4.2Å; M174-R245 PolarHBondContact N-O 3.34Å; R245-L247 HydrophobicContact CB-CD1 4.09Å; R245-W276 CarbonylContact C-O 3.57Å; R245-W276 VanDerWaalsContact CA-O 3.31Å; R245-W276 WeakPolarHBondContact CA-O 3.29Å; R245-W276 HydrophobicContact CG-CE3 3.77Å; R245-W276 HydrophobicContact CG-CZ3 4.03Å
246	V	98.2	Very high	96.4	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.018	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	113.7	-177.7	-175.4	0	0	0	0	109.4	M174 L176 S240 V248 W276 I277 W278	M174-V246 HydrophobicContact CG-CG2 4.22Å; M174-V246 HydrophobicContact SD-CG2 4.3Å; L176-V246 HydrophobicContact CB-CG1 3.55Å; L176-V246 HydrophobicContact CD1-CG1 3.91Å; L176-V246 HydrophobicContact CG-CG1 4.27Å; S240-V246 VanDerWaalsContact CB-CG2 3.47Å; S240-V246 WeakPolarHBondContact OG-CG2 3.43Å; V246-V248 HydrophobicContact CG1-CG2 4.42Å; V246-W276 PolarHBondContact N-O 3.14Å; V246-I277 HydrophobicContact CB-CD1 3.85Å; V246-I277 HydrophobicContact CG2-CD1 4.02Å; V246-W278 PolarHBondContact O-N 3.42Å
247	L	98.2	Very high	96.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	101.9	178.5	-80.4	55.1	0	0	0	108.4	M131 M173 M174 Q175 L176 R245 D249 W278 K309 I366	M131-L247 HydrophobicContact SD-CD2 3.66Å; M173-L247 HydrophobicContact CB-CD1 4.37Å; M173-L247 HydrophobicContact CG-CD1 4.3Å; M173-L247 HydrophobicContact SD-CD1 3.99Å; M173-L247 HydrophobicContact SD-CD2 3.69Å; M174-L247 PolarHBondContact O-N 2.8Å; Q175-L247 WeakPolarHBondContact CA-O 3.48Å; L176-L247 PolarHBondContact N-O 3.04Å; L176-L247 VanDerWaalsContact N-O 3.08Å; R245-L247 HydrophobicContact CB-CD1 4.09Å; L247-D249 PolarHBondContact O-N 3.28Å; L247-W278 HydrophobicContact CD1-CB 4.04Å; L247-W278 HydrophobicContact CD1-CD2 4.1Å; L247-W278 HydrophobicContact CD1-CG 3.76Å; L247-W278 HydrophobicContact CG-CB 3.98Å; L247-W278 HydrophobicContact CG-CD2 4.48Å; L247-W278 HydrophobicContact CG-CG 4.16Å; L247-K309 HydrophobicContact CB-CD 4.15Å; L247-K309 HydrophobicContact CD2-CD 4.26Å; L247-K309 HydrophobicContact CG-CD 4.45Å; L247-I366 HydrophobicContact CD2-CD1 4.01Å; L247-I366 HydrophobicContact CD2-CG2 3.93Å
248	V	98	Very high	96.4	Very high	1 Å²	1	31 Å²	31	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	120.2	-179.3	-172.9	0	0	0	0	109.3	L176 I178 V246 T263 I277 W278 T280	L176-V248 HydrophobicContact CD2-CG1 4.19Å; L176-V248 HydrophobicContact CD2-CG2 4.18Å; L176-V248 CarbonylContact O-C 3.07Å; L176-V248 WeakPolarHBondContact O-CA 3.31Å; I178-V248 HydrophobicContact CD1-CG1 3.92Å; I178-V248 HydrophobicContact CG1-CG1 3.62Å; V246-V248 HydrophobicContact CG1-CG2 4.42Å; V248-T263 HydrophobicContact CB-CG2 4.05Å; V248-T263 WeakPolarHBondContact CG1-OG1 3.45Å; V248-T263 HydrophobicContact CG2-CG2 3.84Å; V248-I277 HydrophobicContact CG2-CG2 4.18Å; V248-W278 WeakPolarHBondContact CB-O 3.15Å; V248-W278 PolarHBondContact N-O 2.95Å; V248-T280 WeakPolarHBondContact O-CB 3.35Å; V248-T280 PolarHBondContact O-N 3.02Å; V248-T280 PolarHBondContact O-OG1 2.79Å
249	D	95.9	Very high	96.4	Very high	28 Å²	28	26.6 Å²	26.6	15%	0.15	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	128.4	177.8	-79.1	-14.5	0	0	0	110.7	Q175 L176 K177 L247 E251 K309	Q175-D249 VanDerWaalsContact NE2-CG 3.32Å; Q175-D249 PolarHBondContact NE2-OD1 3.42Å; Q175-D249 PolarHBondContact NE2-OD2 3.11Å; L176-D249 PolarHBondContact O-N 3.48Å; K177-D249 HydrophobicContact CG-CB 4.19Å; L247-D249 PolarHBondContact O-N 3.28Å; D249-E251 WeakPolarHBondContact O-CG 3.29Å; D249-K309 IonicContact OD1-NZ 3.46Å; D249-K309 PolarHBondContact OD1-NZ 2.89Å
250	A	95.8	Very high	96.4	Very high	13 Å²	13	27.5 Å²	27.5	11%	0.107	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-77.8	145.6	166.6	0	0	0	0	0	109.8	T280 Q282	A250-T280 HydrophobicContact CB-CG2 3.8Å; A250-T280 WeakPolarHBondContact CB-O 3.44Å; A250-Q282 HydrophobicContact CB-CG 3.73Å; A250-Q282 PolarHBondContact O-NE2 3.4Å
251	E	93.8	Very high	96.4	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.147	C	C	.	.			trans	-120.4	-127.4	-166.1	-49.1	-164.7	-128.2	0	0	108.4	K177 I178 T179 D249 N256 L259 Q282 Y315	K177-E251 IonicContact NZ-OE2 3.21Å; K177-E251 PolarHBondContact NZ-OE2 3.11Å; I178-E251 PolarHBondContact N-OE1 3.24Å; T179-E251 VanDerWaalsContact CG2-OE1 3.32Å; T179-E251 WeakPolarHBondContact CG2-OE1 3.36Å; T179-E251 WeakPolarHBondContact CG2-OE2 3.29Å; T179-E251 PolarHBondContact N-OE1 3.14Å; T179-E251 PolarHBondContact OG1-OE1 2.98Å; T179-E251 PolarHBondContact OG1-OE2 3.46Å; D249-E251 WeakPolarHBondContact O-CG 3.29Å; E251-N256 PolarHBondContact N-OD1 2.89Å; E251-N256 PolarHBondContact O-ND2 2.96Å; E251-L259 HydrophobicContact CB-CD1 3.79Å; E251-L259 HydrophobicContact CG-CD1 3.52Å; E251-Q282 PolarHBondContact O-NE2 2.71Å; E251-Q282 PolarHBondContact O-OE1 3.2Å; E251-Y315 VanDerWaalsContact O-CD2 3.25Å; E251-Y315 WeakPolarHBondContact O-CD2 3.43Å; E251-Y315 WeakPolarHBondContact O-CE2 3.39Å
252	Y	93.1	Very high	96.5	Very high	11 Å²	11	27.2 Å²	27.2	4%	0.043	14%	0.14	C	C	.	.			trans	-86.1	151.9	178.7	-49.1	-79.8	0	0	0	112.7	E138 Y254 M255 N256 Y315 K318 E319	E138-Y252 PolarHBondContact OE2-OH 3.11Å; Y252-Y254 VanDerWaalsContact C-N 3.33Å; Y252-Y254 HydrophobicContact CD2-CE1 4.43Å; Y252-Y254 AromaticContact CD2-CZ 3.94Å; Y252-Y254 WeakPolarHBondContact CD2-OH 3.47Å; Y252-Y254 AromaticContact CG-CE1 3.9Å; Y252-Y254 HydrophobicContact CG-CE1 3.9Å; Y252-Y254 AromaticContact CG-CZ 3.88Å; Y252-Y254 PolarHBondContact O-N 3.05Å; Y252-M255 HydrophobicContact CD2-CE 3.59Å; Y252-M255 HydrophobicContact CE2-CE 4.26Å; Y252-M255 PolarHBondContact O-N 2.99Å; Y252-N256 PolarHBondContact O-N 2.71Å; Y252-N256 PolarHBondContact O-ND2 3.25Å; Y252-N256 PolarHBondContact O-OD1 2.92Å; Y252-Y315 AromaticContact CD1-CD1 3.83Å; Y252-Y315 HydrophobicContact CD1-CD1 3.83Å; Y252-Y315 HydrophobicContact CD1-CD2 4.45Å; Y252-Y315 HydrophobicContact CD1-CE1 4.38Å; Y252-Y315 AromaticContact CD1-CG 3.85Å; Y252-Y315 HydrophobicContact CD1-CG 3.85Å; Y252-Y315 AromaticContact CE1-CD1 3.32Å; Y252-Y315 HydrophobicContact CE1-CD1 3.32Å; Y252-Y315 AromaticContact CE1-CE1 3.72Å; Y252-Y315 HydrophobicContact CE1-CE1 3.72Å; Y252-Y315 AromaticContact CE1-CG 3.85Å; Y252-Y315 HydrophobicContact CE1-CG 3.85Å; Y252-Y315 AromaticContact CZ-CE1 3.96Å; Y252-K318 HydrophobicContact CD1-CD 4.48Å; Y252-K318 HydrophobicContact CE1-CD 3.58Å; Y252-K318 PolarHBondContact OH-NZ 3.18Å; Y252-E319 WeakPolarHBondContact CA-OE1 3.49Å
253	T	94.4	Very high	96.7	Very high	36 Å²	36	21.4 Å²	21.4	22%	0.221	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-49.2	-178.1	49.9	0	0	0	0	113.9	M255 N256 P257 L285 E319 P331	T253-M255 PolarHBondContact O-N 2.85Å; T253-M255 VanDerWaalsContact O-N 3.14Å; T253-N256 PolarHBondContact O-N 2.65Å; T253-P257 VanDerWaalsContact O-CD 3.26Å; T253-P257 WeakPolarHBondContact O-CD 3.45Å; T253-L285 HydrophobicContact CG2-CD1 4.12Å; T253-L285 HydrophobicContact CG2-CD2 3.61Å; T253-E319 WeakPolarHBondContact CB-OE2 3.34Å; T253-E319 VanDerWaalsContact CG2-CD 3.48Å; T253-E319 HydrophobicContact CG2-CG 4.36Å; T253-E319 WeakPolarHBondContact CG2-OE2 3.26Å; T253-E319 PolarHBondContact N-OE1 3.46Å; T253-E319 PolarHBondContact OG1-OE2 2.95Å; T253-P331 HydrophobicContact CG2-CB 4.27Å; T253-P331 HydrophobicContact CG2-CG 4.07Å
254	Y	93.8	Very high	96.9	Very high	91 Å²	91	17.6 Å²	17.6	36%	0.357	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-11.4	-177.5	58.4	-94.7	0	0	0	115.1	V188 T191 Y252 L322	V188-Y254 HydrophobicContact CG2-CD2 3.71Å; V188-Y254 HydrophobicContact CG2-CE2 4.07Å; T191-Y254 WeakPolarHBondContact CB-O 3.19Å; T191-Y254 WeakPolarHBondContact CG2-O 3.21Å; T191-Y254 PolarHBondContact OG1-O 3.47Å; Y252-Y254 VanDerWaalsContact C-N 3.33Å; Y252-Y254 HydrophobicContact CD2-CE1 4.43Å; Y252-Y254 AromaticContact CD2-CZ 3.94Å; Y252-Y254 WeakPolarHBondContact CD2-OH 3.47Å; Y252-Y254 AromaticContact CG-CE1 3.9Å; Y252-Y254 HydrophobicContact CG-CE1 3.9Å; Y252-Y254 AromaticContact CG-CZ 3.88Å; Y252-Y254 PolarHBondContact O-N 3.05Å; Y254-L322 HydrophobicContact CD1-CD2 3.63Å; Y254-L322 HydrophobicContact CE1-CD2 3.88Å
255	M	95.3	Very high	97	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-27.9	173	-73.1	-165.9	-74.5	0	0	113.6	T179 P184 C187 V188 Y252 T253 P257 A258 L259	T179-M255 HydrophobicContact CG2-CE 3.73Å; T179-M255 HydrophobicContact CG2-SD 3.82Å; P184-M255 VanDerWaalsContact CA-SD 3.52Å; P184-M255 HydrophobicContact CB-CE 4.21Å; P184-M255 HydrophobicContact CB-SD 3.67Å; C187-M255 HydrophobicContact CB-CB 4.01Å; C187-M255 HydrophobicContact CB-CG 3.67Å; C187-M255 HydrophobicContact CB-SD 3.6Å; V188-M255 HydrophobicContact CG2-CG 3.98Å; Y252-M255 HydrophobicContact CD2-CE 3.59Å; Y252-M255 HydrophobicContact CE2-CE 4.26Å; Y252-M255 PolarHBondContact O-N 2.99Å; T253-M255 PolarHBondContact O-N 2.85Å; T253-M255 VanDerWaalsContact O-N 3.14Å; M255-P257 VanDerWaalsContact C-CD 3.41Å; M255-P257 VanDerWaalsContact C-N 3.31Å; M255-P257 VanDerWaalsContact O-N 3.12Å; M255-A258 PolarHBondContact O-N 3.28Å; M255-L259 HydrophobicContact CB-CD1 4.5Å; M255-L259 HydrophobicContact CB-CD2 4.12Å; M255-L259 HydrophobicContact CB-CG 4.27Å; M255-L259 WeakPolarHBondContact O-CG 3.27Å; M255-L259 PolarHBondContact O-N 2.94Å; M255-L259 VanDerWaalsContact O-N 3.11Å
256	N	96.9	Very high	97	Very high	17 Å²	17	15.8 Å²	15.8	9%	0.091	9%	0.086	C	C	.	.	H	α-helix	trans	-51.9	-34.1	-172	-77.1	-24.5	0	0	0	115.7	E251 Y252 T253 L259 T260 Q282	E251-N256 PolarHBondContact N-OD1 2.89Å; E251-N256 PolarHBondContact O-ND2 2.96Å; Y252-N256 PolarHBondContact O-N 2.71Å; Y252-N256 PolarHBondContact O-ND2 3.25Å; Y252-N256 PolarHBondContact O-OD1 2.92Å; T253-N256 PolarHBondContact O-N 2.65Å; N256-L259 PolarHBondContact O-N 3.26Å; N256-T260 VanDerWaalsContact O-CB 3.27Å; N256-T260 WeakPolarHBondContact O-CB 3.33Å; N256-T260 PolarHBondContact O-N 2.78Å; N256-T260 PolarHBondContact O-OG1 3.16Å; N256-Q282 PolarHBondContact ND2-OE1 2.96Å
257	P	97.8	Very high	97.1	Very high	56 Å²	56	15.7 Å²	15.7	36%	0.364	9%	0.085	S	C	.	.	H	α-helix	trans	-61.1	-46.6	172.4	-28	38.1	0	0	0	113.5	T191 T253 M255 T260 L261	T191-P257 HydrophobicContact CG2-CB 4.03Å; T191-P257 HydrophobicContact CG2-CG 3.8Å; T253-P257 VanDerWaalsContact O-CD 3.26Å; T253-P257 WeakPolarHBondContact O-CD 3.45Å; M255-P257 VanDerWaalsContact C-CD 3.41Å; M255-P257 VanDerWaalsContact C-N 3.31Å; M255-P257 VanDerWaalsContact O-N 3.12Å; P257-T260 PolarHBondContact O-N 3.07Å; P257-L261 PolarHBondContact O-N 2.72Å
258	A	98.1	Very high	97.1	Very high	1 Å²	1	17 Å²	17	1%	0.008	9%	0.091	C	C	.	.	H	α-helix	trans	-64.8	-40.8	174.9	0	0	0	0	0	112.3	C187 L190 T191 I194 M255 T260 L261 V262	C187-A258 HydrophobicContact CB-CB 4.26Å; C187-A258 WeakPolarHBondContact O-CB 3.34Å; L190-A258 HydrophobicContact CB-CB 3.62Å; L190-A258 HydrophobicContact CD1-CB 4.48Å; T191-A258 PolarHBondContact OG1-N 3.04Å; I194-A258 HydrophobicContact CD1-CB 4.37Å; M255-A258 PolarHBondContact O-N 3.28Å; A258-T260 VanDerWaalsContact C-N 3.28Å; A258-T260 PolarHBondContact O-N 2.82Å; A258-L261 PolarHBondContact O-N 3.36Å; A258-V262 WeakPolarHBondContact O-CG2 3.4Å; A258-V262 PolarHBondContact O-N 3.36Å; A258-V262 VanDerWaalsContact O-N 3.1Å
259	L	98.4	Very high	97.1	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-64.7	-38.1	178.1	-41.7	-166.1	0	0	0	110.5	I178 C187 E251 M255 N256 T263	I178-L259 HydrophobicContact CB-CB 4.36Å; I178-L259 HydrophobicContact CB-CD2 3.85Å; I178-L259 HydrophobicContact CB-CG 4.41Å; I178-L259 HydrophobicContact CG1-CB 4.11Å; I178-L259 HydrophobicContact CG2-CD2 3.75Å; C187-L259 HydrophobicContact CB-CD2 3.91Å; C187-L259 VanDerWaalsContact SG-CD2 3.56Å; E251-L259 HydrophobicContact CB-CD1 3.79Å; E251-L259 HydrophobicContact CG-CD1 3.52Å; M255-L259 HydrophobicContact CB-CD1 4.5Å; M255-L259 HydrophobicContact CB-CD2 4.12Å; M255-L259 HydrophobicContact CB-CG 4.27Å; M255-L259 WeakPolarHBondContact O-CG 3.27Å; M255-L259 PolarHBondContact O-N 2.94Å; M255-L259 VanDerWaalsContact O-N 3.11Å; N256-L259 PolarHBondContact O-N 3.26Å; L259-T263 VanDerWaalsContact O-CB 3.29Å; L259-T263 WeakPolarHBondContact O-CB 3.28Å; L259-T263 PolarHBondContact O-N 3.22Å; L259-T263 PolarHBondContact O-OG1 2.83Å
260	T	98.4	Very high	97.2	Very high	45 Å²	45	18.8 Å²	18.8	28%	0.276	10%	0.097	S	C	.	.	H	α-helix	trans	-66.5	-45.9	175.9	-61.9	0	0	0	0	111.3	N256 P257 A258 V262 T263 M264	N256-T260 VanDerWaalsContact O-CB 3.27Å; N256-T260 WeakPolarHBondContact O-CB 3.33Å; N256-T260 PolarHBondContact O-N 2.78Å; N256-T260 PolarHBondContact O-OG1 3.16Å; P257-T260 PolarHBondContact O-N 3.07Å; A258-T260 VanDerWaalsContact C-N 3.28Å; A258-T260 PolarHBondContact O-N 2.82Å; T260-V262 PolarHBondContact O-N 2.92Å; T260-T263 PolarHBondContact O-N 3.46Å; T260-M264 HydrophobicContact CG2-CE 4.22Å; T260-M264 HydrophobicContact CG2-CG 4.15Å; T260-M264 WeakPolarHBondContact O-CB 3.32Å; T260-M264 VanDerWaalsContact O-CG 3.27Å; T260-M264 WeakPolarHBondContact O-CG 3.27Å; T260-M264 PolarHBondContact O-N 3.43Å
261	L	98.4	Very high	97.4	Very high	18 Å²	18	18.1 Å²	18.1	9%	0.094	9%	0.092	C	C	.	.	H	α-helix	trans	-53.8	-52.7	175.8	176.4	73.8	0	0	0	111.3	I194 Y199 L201 L204 P257 A258 T263 M264 A265	I194-L261 HydrophobicContact CD1-CB 3.98Å; I194-L261 HydrophobicContact CD1-CD2 3.6Å; I194-L261 HydrophobicContact CD1-CG 4.33Å; I194-L261 HydrophobicContact CG1-CD2 3.99Å; Y199-L261 HydrophobicContact CD2-CD2 4.32Å; Y199-L261 HydrophobicContact CG-CD2 4.12Å; L201-L261 HydrophobicContact CD2-CD1 3.82Å; L204-L261 HydrophobicContact CD1-CD2 4.2Å; L204-L261 HydrophobicContact CD2-CD2 4.02Å; L204-L261 HydrophobicContact CD2-CG 3.85Å; P257-L261 PolarHBondContact O-N 2.72Å; A258-L261 PolarHBondContact O-N 3.36Å; L261-T263 VanDerWaalsContact C-N 3.34Å; L261-T263 PolarHBondContact O-N 2.73Å; L261-M264 PolarHBondContact O-N 3.34Å; L261-A265 PolarHBondContact O-N 2.96Å
262	V	98.7	Very high	97.4	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.8	-39.9	-178.5	177.5	0	0	0	0	111.1	I178 L204 F226 L230 L233 A258 T260 A265 L266	I178-V262 HydrophobicContact CD1-CG1 4.14Å; L204-V262 HydrophobicContact CD2-CG2 4.01Å; F226-V262 HydrophobicContact CE2-CG2 3.94Å; F226-V262 HydrophobicContact CZ-CG2 4.22Å; L230-V262 HydrophobicContact CD2-CG1 3.9Å; L230-V262 HydrophobicContact CD2-CG2 4.16Å; L233-V262 HydrophobicContact CD1-CG1 3.65Å; A258-V262 WeakPolarHBondContact O-CG2 3.4Å; A258-V262 PolarHBondContact O-N 3.36Å; A258-V262 VanDerWaalsContact O-N 3.1Å; T260-V262 PolarHBondContact O-N 2.92Å; V262-A265 PolarHBondContact O-N 2.96Å; V262-L266 HydrophobicContact CG1-CD1 4.45Å; V262-L266 WeakPolarHBondContact O-CG 3.25Å; V262-L266 PolarHBondContact O-N 3.29Å
263	T	98.8	Very high	97.3	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.5	-39.8	176.3	-55.7	0	0	0	0	112.2	V248 L259 T260 L261 L266 M267 I277 N279	V248-T263 HydrophobicContact CB-CG2 4.05Å; V248-T263 WeakPolarHBondContact CG1-OG1 3.45Å; V248-T263 HydrophobicContact CG2-CG2 3.84Å; L259-T263 VanDerWaalsContact O-CB 3.29Å; L259-T263 WeakPolarHBondContact O-CB 3.28Å; L259-T263 PolarHBondContact O-N 3.22Å; L259-T263 PolarHBondContact O-OG1 2.83Å; T260-T263 PolarHBondContact O-N 3.46Å; L261-T263 VanDerWaalsContact C-N 3.34Å; L261-T263 PolarHBondContact O-N 2.73Å; T263-L266 WeakPolarHBondContact O-CB 3.36Å; T263-L266 PolarHBondContact O-N 2.92Å; T263-M267 HydrophobicContact CG2-CE 4.01Å; T263-M267 WeakPolarHBondContact O-CG 3.49Å; T263-M267 PolarHBondContact O-N 3.17Å; T263-I277 HydrophobicContact CG2-CG2 4.05Å; T263-N279 HydrophobicContact CG2-CB 3.76Å
264	M	98.6	Very high	97.3	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.02	15%	0.146	C	C	.	.	H	α-helix	trans	-69.8	-33.8	176.7	-68.2	-60.4	169.3	0	0	112.2	L201 T260 L261 M267 K268 N279 Y281 A295 L298 F304 L306	L201-M264 HydrophobicContact CD1-CB 3.97Å; L201-M264 HydrophobicContact CD2-CB 3.81Å; T260-M264 HydrophobicContact CG2-CE 4.22Å; T260-M264 HydrophobicContact CG2-CG 4.15Å; T260-M264 WeakPolarHBondContact O-CB 3.32Å; T260-M264 VanDerWaalsContact O-CG 3.27Å; T260-M264 WeakPolarHBondContact O-CG 3.27Å; T260-M264 PolarHBondContact O-N 3.43Å; L261-M264 PolarHBondContact O-N 3.34Å; M264-M267 HydrophobicContact CE-CE 4.3Å; M264-M267 PolarHBondContact O-N 3.26Å; M264-M267 HydrophobicContact SD-CE 4.17Å; M264-M267 HydrophobicContact SD-SD 4.26Å; M264-K268 WeakPolarHBondContact O-CB 3.45Å; M264-K268 PolarHBondContact O-N 3.01Å; M264-N279 HydrophobicContact CE-CB 4.15Å; M264-Y281 WeakPolarHBondContact CE-OH 3.47Å; M264-A295 HydrophobicContact CE-CB 3.69Å; M264-L298 HydrophobicContact CG-CD2 4.38Å; M264-F304 HydrophobicContact SD-CE2 4.11Å; M264-F304 HydrophobicContact SD-CZ 3.9Å; M264-L306 HydrophobicContact CE-CD1 4.05Å; M264-L306 HydrophobicContact SD-CD1 4.19Å
265	A	98.7	Very high	97.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.7	-42.7	171.2	0	0	0	0	0	111.6	L201 L204 V205 M208 L261 V262 M267 K268 K269	L201-A265 HydrophobicContact CD2-CB 4.38Å; L204-A265 HydrophobicContact CB-CB 3.5Å; L204-A265 VanDerWaalsContact CB-CB 3.5Å; L204-A265 HydrophobicContact CD2-CB 3.77Å; L204-A265 HydrophobicContact CG-CB 4.29Å; V205-A265 WeakPolarHBondContact CG2-O 3.42Å; M208-A265 HydrophobicContact CE-CB 3.88Å; L261-A265 PolarHBondContact O-N 2.96Å; V262-A265 PolarHBondContact O-N 2.96Å; A265-M267 VanDerWaalsContact C-N 3.35Å; A265-M267 PolarHBondContact O-N 2.71Å; A265-K268 PolarHBondContact O-N 3.38Å; A265-K269 PolarHBondContact O-N 3.02Å
266	L	98.8	Very high	97.6	Very high	5 Å²	5	27 Å²	27	3%	0.026	14%	0.139	C	C	.	.	H	α-helix	trans	-61.1	-39.8	171.8	-70.3	169.2	0	0	0	111.9	M208 L233 A237 V262 T263 K269 F270 I277	M208-L266 HydrophobicContact CE-CD2 3.73Å; M208-L266 HydrophobicContact CE-CG 3.8Å; M208-L266 HydrophobicContact SD-CD2 3.72Å; M208-L266 HydrophobicContact SD-CG 4.36Å; L233-L266 HydrophobicContact CB-CD1 4.44Å; A237-L266 HydrophobicContact CB-CD2 4.04Å; V262-L266 HydrophobicContact CG1-CD1 4.45Å; V262-L266 WeakPolarHBondContact O-CG 3.25Å; V262-L266 PolarHBondContact O-N 3.29Å; T263-L266 WeakPolarHBondContact O-CB 3.36Å; T263-L266 PolarHBondContact O-N 2.92Å; L266-K269 PolarHBondContact O-N 3.09Å; L266-F270 HydrophobicContact CD2-CD2 4.3Å; L266-F270 HydrophobicContact CD2-CE2 4.04Å; L266-F270 WeakPolarHBondContact O-CB 3.42Å; L266-F270 WeakPolarHBondContact O-CD2 2.75Å; L266-F270 PolarHBondContact O-N 3.48Å; L266-I277 HydrophobicContact CB-CB 4.47Å; L266-I277 HydrophobicContact CB-CG1 4.22Å; L266-I277 HydrophobicContact CB-CG2 3.93Å
267	M	98.8	Very high	97.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.8	-45.4	172.5	-64.8	-156.7	-150.9	0	0	112.3	T263 M264 A265 K269 F270 N271 I277 N279 F304 L306 G307	T263-M267 HydrophobicContact CG2-CE 4.01Å; T263-M267 WeakPolarHBondContact O-CG 3.49Å; T263-M267 PolarHBondContact O-N 3.17Å; M264-M267 HydrophobicContact CE-CE 4.3Å; M264-M267 PolarHBondContact O-N 3.26Å; M264-M267 HydrophobicContact SD-CE 4.17Å; M264-M267 HydrophobicContact SD-SD 4.26Å; A265-M267 VanDerWaalsContact C-N 3.35Å; A265-M267 PolarHBondContact O-N 2.71Å; M267-K269 PolarHBondContact O-N 3.19Å; M267-F270 PolarHBondContact O-N 2.82Å; M267-N271 HydrophobicContact CB-CB 4.27Å; M267-N271 WeakPolarHBondContact CG-ND2 3.43Å; M267-N271 WeakPolarHBondContact O-CA 3.49Å; M267-N271 WeakPolarHBondContact O-CB 3.42Å; M267-N271 PolarHBondContact O-N 3.17Å; M267-N271 PolarHBondContact SD-ND2 2.95Å; M267-I277 HydrophobicContact CG-CB 4.15Å; M267-I277 HydrophobicContact CG-CG2 4.35Å; M267-N279 HydrophobicContact CE-CB 3.61Å; M267-N279 VanDerWaalsContact CE-N 3.28Å; M267-F304 HydrophobicContact CB-CD2 3.6Å; M267-F304 HydrophobicContact CB-CE2 3.66Å; M267-F304 HydrophobicContact CB-CG 4.19Å; M267-F304 HydrophobicContact CB-CZ 4.29Å; M267-F304 HydrophobicContact CG-CE2 4.39Å; M267-F304 HydrophobicContact SD-CD2 4.26Å; M267-F304 HydrophobicContact SD-CE2 3.92Å; M267-L306 HydrophobicContact CE-CD1 4.22Å; M267-L306 HydrophobicContact SD-CD1 3.87Å; M267-G307 WeakPolarHBondContact CE-O 3.37Å
268	K	98.5	Very high	97.7	Very high	29 Å²	29	23.7 Å²	23.7	13%	0.126	12%	0.119	C	C	.	.	H	α-helix	trans	-57.8	-36.6	176.1	178.9	176.7	169.4	133.7	0	111.6	L201 S202 V205 M264 A265 K272 E302 F304	L201-K268 HydrophobicContact CB-CD 3.46Å; L201-K268 VanDerWaalsContact CB-CD 3.46Å; L201-K268 HydrophobicContact CD1-CB 4.27Å; L201-K268 HydrophobicContact CD1-CD 4.13Å; L201-K268 HydrophobicContact CG-CD 4.46Å; S202-K268 WeakPolarHBondContact OG-CE 3.21Å; S202-K268 PolarHBondContact OG-NZ 3.23Å; V205-K268 HydrophobicContact CG2-CB 4.38Å; V205-K268 HydrophobicContact CG2-CD 4.33Å; V205-K268 HydrophobicContact CG2-CG 4.29Å; M264-K268 WeakPolarHBondContact O-CB 3.45Å; M264-K268 PolarHBondContact O-N 3.01Å; A265-K268 PolarHBondContact O-N 3.38Å; K268-K272 WeakPolarHBondContact O-CE 3.21Å; K268-K272 PolarHBondContact O-NZ 2.99Å; K268-E302 IonicContact NZ-OE1 2.84Å; K268-E302 PolarHBondContact NZ-OE1 3Å; K268-E302 IonicContact NZ-OE2 2.67Å; K268-E302 PolarHBondContact NZ-OE2 3.48Å; K268-F304 HydrophobicContact CB-CD1 3.95Å; K268-F304 HydrophobicContact CB-CE1 4.24Å
269	K	98.4	Very high	97.8	Very high	33 Å²	33	23.8 Å²	23.8	14%	0.143	12%	0.119	C	C	.	.	H	α-helix	trans	-70.5	-54.6	174.7	-167.2	165.6	174.9	59.9	0	112.2	V205 M208 D209 N234 A265 L266 M267 K272	V205-K269 HydrophobicContact CG1-CB 4.35Å; V205-K269 HydrophobicContact CG1-CD 4.27Å; V205-K269 HydrophobicContact CG1-CG 4.26Å; V205-K269 HydrophobicContact CG2-CB 4.14Å; M208-K269 HydrophobicContact CB-CD 4.12Å; M208-K269 HydrophobicContact SD-CD 3.93Å; D209-K269 IonicContact OD1-NZ 3.37Å; D209-K269 PolarHBondContact OD1-NZ 3.41Å; D209-K269 IonicContact OD2-NZ 2.62Å; D209-K269 PolarHBondContact OD2-NZ 3.43Å; N234-K269 WeakPolarHBondContact OD1-CD 3.31Å; N234-K269 WeakPolarHBondContact OD1-CE 3.38Å; A265-K269 PolarHBondContact O-N 3.02Å; L266-K269 PolarHBondContact O-N 3.09Å; M267-K269 PolarHBondContact O-N 3.19Å; K269-K272 WeakPolarHBondContact O-CE 3.42Å
270	F	98.6	Very high	97.8	Very high	32 Å²	32	24.2 Å²	24.2	14%	0.14	12%	0.122	C	C	.	.	H	α-helix	trans	-106.5	-24.6	-162.7	-65.9	-66.2	0	0	0	116.6	N234 A237 E238 V241 L266 M267 K272 I277	N234-F270 WeakPolarHBondContact OD1-CE2 3.44Å; N234-F270 WeakPolarHBondContact OD1-CZ 3.37Å; A237-F270 HydrophobicContact CB-CD2 3.65Å; A237-F270 HydrophobicContact CB-CE2 3.37Å; A237-F270 HydrophobicContact CB-CG 4.48Å; A237-F270 HydrophobicContact CB-CZ 3.99Å; E238-F270 HydrophobicContact CG-CE1 3.89Å; E238-F270 HydrophobicContact CG-CZ 3.65Å; V241-F270 HydrophobicContact CB-CD1 4.5Å; V241-F270 HydrophobicContact CG2-CB 3.71Å; V241-F270 HydrophobicContact CG2-CD1 3.75Å; V241-F270 HydrophobicContact CG2-CG 3.81Å; L266-F270 HydrophobicContact CD2-CD2 4.3Å; L266-F270 HydrophobicContact CD2-CE2 4.04Å; L266-F270 WeakPolarHBondContact O-CB 3.42Å; L266-F270 WeakPolarHBondContact O-CD2 2.75Å; L266-F270 PolarHBondContact O-N 3.48Å; M267-F270 PolarHBondContact O-N 2.82Å; F270-K272 VanDerWaalsContact C-N 3.27Å; F270-K272 PolarHBondContact O-N 2.86Å; F270-I277 HydrophobicContact CB-CG1 4.26Å
271	N	98.5	Very high	97.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.11	C	C	.	.			trans	-86.6	59.3	-176.4	-68.8	5.1	0	0	0	111.9	M267 G274 W276 I277 F304 C305	M267-N271 HydrophobicContact CB-CB 4.27Å; M267-N271 WeakPolarHBondContact CG-ND2 3.43Å; M267-N271 WeakPolarHBondContact O-CA 3.49Å; M267-N271 WeakPolarHBondContact O-CB 3.42Å; M267-N271 PolarHBondContact O-N 3.17Å; M267-N271 PolarHBondContact SD-ND2 2.95Å; N271-G274 CarbonylContact C-O 3.59Å; N271-G274 WeakPolarHBondContact CA-O 3.49Å; N271-G274 WeakPolarHBondContact CB-O 3.43Å; N271-W276 PolarHBondContact OD1-N 2.92Å; N271-I277 PolarHBondContact ND2-O 3.48Å; N271-I277 PolarHBondContact OD1-N 3.45Å; N271-F304 HydrophobicContact CB-CB 4.34Å; N271-F304 CarbonylContact O-C 3.52Å; N271-F304 WeakPolarHBondContact O-CA 3.44Å; N271-F304 WeakPolarHBondContact O-CB 3.42Å; N271-C305 HydrophobicContact CB-CB 4.25Å; N271-C305 WeakPolarHBondContact CB-O 3.38Å; N271-C305 PolarHBondContact ND2-O 3.44Å; N271-C305 PolarHBondContact O-N 3.15Å
272	K	95	Very high	97.8	Very high	102 Å²	102	21.8 Å²	21.8	44%	0.443	11%	0.107	S	C	.	.	S	Bend	trans	-77.4	-64.7	179.1	-58.4	-51.5	-166.6	-175.6	0	111.6	K268 K269 F270 C305 R362	K268-K272 WeakPolarHBondContact O-CE 3.21Å; K268-K272 PolarHBondContact O-NZ 2.99Å; K269-K272 WeakPolarHBondContact O-CE 3.42Å; F270-K272 VanDerWaalsContact C-N 3.27Å; F270-K272 PolarHBondContact O-N 2.86Å; K272-C305 PolarHBondContact O-SG 3.48Å; K272-R362 PolarHBondContact O-NH1 2.95Å
273	D	90.9	Very high	97.7	Very high	159 Å²	159	21.8 Å²	21.8	85%	0.85	11%	0.107	S	C	*	.	S	Bend	trans	-100	-1	-174	-47.4	-75.4	0	0	0	113.2
274	G	94.3	Very high	97.5	Very high	11 Å²	11	21.9 Å²	21.9	11%	0.113	11%	0.107	C	C	.	.	S	Bend	trans	-174.1	165.2	178.9	0	0	0	0	0	112.5	N271 W276	N271-G274 CarbonylContact C-O 3.59Å; N271-G274 WeakPolarHBondContact CA-O 3.49Å; N271-G274 WeakPolarHBondContact CB-O 3.43Å; G274-W276 PolarHBondContact O-N 3.3Å
275	A	97.2	Very high	97.4	Very high	5 Å²	5	22.5 Å²	22.5	4%	0.041	11%	0.11	C	C	.	.			trans	-83.6	101.4	176.7	0	0	0	0	0	110.9	W278 R364	A275-W278 HydrophobicContact CB-CZ2 4.18Å; A275-W278 PolarHBondContact O-NE1 2.92Å; A275-R364 HydrophobicContact CB-CB 4.07Å; A275-R364 HydrophobicContact CB-CG 3.83Å
276	W	98.1	Very high	97.3	Very high	47 Å²	47	27 Å²	27	18%	0.178	13%	0.13	C	C	.	.			trans	-96.3	-41.2	174.5	-66.6	111.5	0	0	0	112.2	V241 N242 R245 V246 N271 G274	V241-W276 HydrophobicContact CB-CG 4.45Å; V241-W276 HydrophobicContact CG1-CG 4.18Å; V241-W276 HydrophobicContact CG2-CB 3.87Å; V241-W276 HydrophobicContact CG2-CG 4.13Å; N242-W276 HydrophobicContact CB-CZ2 4.42Å; N242-W276 WeakPolarHBondContact OD1-CZ2 3.48Å; N242-W276 PolarHBondContact OD1-NE1 3.44Å; R245-W276 CarbonylContact C-O 3.57Å; R245-W276 VanDerWaalsContact CA-O 3.31Å; R245-W276 WeakPolarHBondContact CA-O 3.29Å; R245-W276 HydrophobicContact CG-CE3 3.77Å; R245-W276 HydrophobicContact CG-CZ3 4.03Å; V246-W276 PolarHBondContact N-O 3.14Å; N271-W276 PolarHBondContact OD1-N 2.92Å; G274-W276 PolarHBondContact O-N 3.3Å
277	I	98.7	Very high	97.2	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	134.9	175.3	-47.9	-58.1	0	0	0	109.3	A237 V246 V248 T263 L266 M267 F270 N271	A237-I277 HydrophobicContact CB-CD1 3.97Å; V246-I277 HydrophobicContact CB-CD1 3.85Å; V246-I277 HydrophobicContact CG2-CD1 4.02Å; V248-I277 HydrophobicContact CG2-CG2 4.18Å; T263-I277 HydrophobicContact CG2-CG2 4.05Å; L266-I277 HydrophobicContact CB-CB 4.47Å; L266-I277 HydrophobicContact CB-CG1 4.22Å; L266-I277 HydrophobicContact CB-CG2 3.93Å; M267-I277 HydrophobicContact CG-CB 4.15Å; M267-I277 HydrophobicContact CG-CG2 4.35Å; F270-I277 HydrophobicContact CB-CG1 4.26Å; N271-I277 PolarHBondContact ND2-O 3.48Å; N271-I277 PolarHBondContact OD1-N 3.45Å
278	W	98.7	Very high	97.1	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.008	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	137	-172.1	-61.9	55.2	0	0	0	110.8	M173 V246 L247 V248 A275 G307 R364 I366	M173-W278 HydrophobicContact CE-CH2 4.33Å; M173-W278 HydrophobicContact CE-CZ2 4.25Å; V246-W278 PolarHBondContact O-N 3.42Å; L247-W278 HydrophobicContact CD1-CB 4.04Å; L247-W278 HydrophobicContact CD1-CD2 4.1Å; L247-W278 HydrophobicContact CD1-CG 3.76Å; L247-W278 HydrophobicContact CG-CB 3.98Å; L247-W278 HydrophobicContact CG-CD2 4.48Å; L247-W278 HydrophobicContact CG-CG 4.16Å; V248-W278 WeakPolarHBondContact CB-O 3.15Å; V248-W278 PolarHBondContact N-O 2.95Å; A275-W278 HydrophobicContact CB-CZ2 4.18Å; A275-W278 PolarHBondContact O-NE1 2.92Å; W278-G307 CarbonylContact C-O 3.5Å; W278-G307 VanDerWaalsContact CA-O 3.28Å; W278-G307 WeakPolarHBondContact CA-O 3.18Å; W278-R364 HydrophobicContact CH2-CB 3.39Å; W278-R364 HydrophobicContact CZ2-CB 3.68Å; W278-R364 HydrophobicContact CZ3-CB 4.1Å; W278-R364 WeakPolarHBondContact CZ3-O 3.35Å; W278-I366 HydrophobicContact CE3-CG2 4.2Å; W278-I366 HydrophobicContact CZ3-CB 4.26Å; W278-I366 HydrophobicContact CZ3-CG2 4.22Å
279	N	98.8	Very high	97	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.021	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	147	178.1	-169.7	31	0	0	0	111.6	T263 M264 M267 Y281 G307 K309	T263-N279 HydrophobicContact CG2-CB 3.76Å; M264-N279 HydrophobicContact CE-CB 4.15Å; M267-N279 HydrophobicContact CE-CB 3.61Å; M267-N279 VanDerWaalsContact CE-N 3.28Å; N279-Y281 HydrophobicContact CB-CE2 3.97Å; N279-Y281 PolarHBondContact ND2-OH 2.97Å; N279-G307 PolarHBondContact N-O 3.39Å; N279-K309 PolarHBondContact O-N 2.85Å
280	T	98.7	Very high	97	Very high	10 Å²	10	37.1 Å²	37.1	6%	0.061	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	129.6	178.5	-64.2	0	0	0	0	112.1	V248 A250 Q282 K309 V311	V248-T280 WeakPolarHBondContact O-CB 3.35Å; V248-T280 PolarHBondContact O-N 3.02Å; V248-T280 PolarHBondContact O-OG1 2.79Å; A250-T280 HydrophobicContact CB-CG2 3.8Å; A250-T280 WeakPolarHBondContact CB-O 3.44Å; T280-Q282 HydrophobicContact CG2-CG 4.33Å; T280-K309 CarbonylContact C-O 3.57Å; T280-K309 WeakPolarHBondContact CA-O 3.38Å; T280-K309 HydrophobicContact CG2-CG 4.21Å; T280-K309 VanDerWaalsContact OG1-CD 3.31Å; T280-K309 WeakPolarHBondContact OG1-CD 3.41Å; T280-V311 HydrophobicContact CG2-CG1 4.3Å; T280-V311 HydrophobicContact CG2-CG2 3.59Å
281	Y	98.5	Very high	96.9	Very high	7 Å²	7	39.1 Å²	39.1	3%	0.027	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123.7	174.2	-68.4	-96.7	0	0	0	109.3	M264 N279 L291 L292 A295 V308 K309 V311	M264-Y281 WeakPolarHBondContact CE-OH 3.47Å; N279-Y281 HydrophobicContact CB-CE2 3.97Å; N279-Y281 PolarHBondContact ND2-OH 2.97Å; Y281-L291 HydrophobicContact CD1-CB 4.48Å; Y281-L291 HydrophobicContact CE1-CB 4.1Å; Y281-L292 HydrophobicContact CD1-CB 3.97Å; Y281-L292 HydrophobicContact CD1-CD1 4.29Å; Y281-L292 HydrophobicContact CD2-CD1 4.18Å; Y281-L292 HydrophobicContact CE1-CB 4.07Å; Y281-L292 HydrophobicContact CE1-CD1 4.29Å; Y281-L292 HydrophobicContact CE2-CD1 4.15Å; Y281-L292 HydrophobicContact CG-CD1 4.26Å; Y281-A295 WeakPolarHBondContact OH-CB 3.37Å; Y281-V308 HydrophobicContact CD2-CG1 3.85Å; Y281-V308 HydrophobicContact CE2-CG1 4.38Å; Y281-V308 HydrophobicContact CE2-CG2 4.35Å; Y281-K309 PolarHBondContact N-O 2.92Å; Y281-V311 WeakPolarHBondContact O-CG2 3.2Å; Y281-V311 PolarHBondContact O-N 2.79Å; Y281-V311 VanDerWaalsContact O-O 3.1Å
282	Q	97.7	Very high	96.9	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.028	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	90.1	-173.7	-53.7	175.6	-29.8	0	0	109.9	A250 E251 N256 T280 Y284 L285 S288 V311 R312	A250-Q282 HydrophobicContact CB-CG 3.73Å; A250-Q282 PolarHBondContact O-NE2 3.4Å; E251-Q282 PolarHBondContact O-NE2 2.71Å; E251-Q282 PolarHBondContact O-OE1 3.2Å; N256-Q282 PolarHBondContact ND2-OE1 2.96Å; T280-Q282 HydrophobicContact CG2-CG 4.33Å; Q282-Y284 HydrophobicContact CB-CD1 3.66Å; Q282-Y284 HydrophobicContact CB-CE1 3.5Å; Q282-Y284 HydrophobicContact CG-CE1 4.28Å; Q282-Y284 WeakPolarHBondContact O-CD1 3.46Å; Q282-Y284 PolarHBondContact O-N 2.91Å; Q282-L285 HydrophobicContact CB-CD1 4.43Å; Q282-L285 HydrophobicContact CB-CG 4.37Å; Q282-L285 WeakPolarHBondContact O-CB 3.22Å; Q282-L285 WeakPolarHBondContact O-CG 3.49Å; Q282-L285 PolarHBondContact O-N 2.97Å; Q282-S288 PolarHBondContact N-OG 3.05Å; Q282-S288 PolarHBondContact O-OG 3.33Å; Q282-V311 HydrophobicContact CB-CG2 4.28Å; Q282-V311 HydrophobicContact CG-CG2 4.02Å; Q282-R312 CarbonylContact C-O 3.47Å; Q282-R312 WeakPolarHBondContact CA-O 3.4Å
283	C	97.6	Very high	97.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-8.8	-170.1	-52.8	0	0	0	0	116.2	L285 L310 V311 R312 H333 S344 Y345	C283-L285 PolarHBondContact O-N 3.4Å; C283-L310 WeakPolarHBondContact SG-CD1 3.48Å; C283-V311 PolarHBondContact N-O 3.41Å; C283-V311 PolarHBondContact SG-O 3.17Å; C283-R312 PolarHBondContact N-O 3.01Å; C283-H333 PolarHBondContact O-CD2 2.85Å; C283-H333 VanDerWaalsContact O-CD2 3.26Å; C283-S344 PolarHBondContact O-OG 3.16Å; C283-Y345 HydrophobicContact CB-CD2 3.89Å; C283-Y345 HydrophobicContact CB-CG 4.32Å
284	Y	95.3	Very high	97.4	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.008	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-23.2	166.4	82.7	-46.7	0	0	0	112.8	Q282 R312 M316 E319 I332 H333	Q282-Y284 HydrophobicContact CB-CD1 3.66Å; Q282-Y284 HydrophobicContact CB-CE1 3.5Å; Q282-Y284 HydrophobicContact CG-CE1 4.28Å; Q282-Y284 WeakPolarHBondContact O-CD1 3.46Å; Q282-Y284 PolarHBondContact O-N 2.91Å; Y284-R312 WeakPolarHBondContact CB-O 3.46Å; Y284-R312 WeakPolarHBondContact CD1-O 3.41Å; Y284-R312 PolarHBondContact N-O 3.46Å; Y284-M316 HydrophobicContact CD2-CB 4.4Å; Y284-M316 HydrophobicContact CD2-CG 3.4Å; Y284-M316 HydrophobicContact CE2-CB 4.43Å; Y284-M316 HydrophobicContact CE2-CG 3.81Å; Y284-M316 HydrophobicContact CG-CG 4.36Å; Y284-E319 HydrophobicContact CE2-CG 3.98Å; Y284-E319 WeakPolarHBondContact OH-CG 3.24Å; Y284-I332 HydrophobicContact CD2-CB 3.87Å; Y284-I332 HydrophobicContact CD2-CD1 3.9Å; Y284-I332 HydrophobicContact CD2-CG2 3.64Å; Y284-I332 HydrophobicContact CE2-CB 4.41Å; Y284-I332 HydrophobicContact CE2-CD1 4.48Å; Y284-I332 HydrophobicContact CE2-CG2 3.68Å; Y284-I332 HydrophobicContact CG-CB 4.47Å; Y284-I332 HydrophobicContact CG-CG2 4.46Å; Y284-I332 CarbonylContact O-C 3.56Å; Y284-I332 WeakPolarHBondContact O-CA 3.48Å; Y284-I332 WeakPolarHBondContact O-CB 3.33Å; Y284-H333 PolarHBondContact O-CD2 2.68Å; Y284-H333 VanDerWaalsContact O-CD2 3.28Å; Y284-H333 PolarHBondContact O-N 2.96Å
285	L	96.6	Very high	97.6	Very high	17 Å²	17	34.1 Å²	34.1	9%	0.089	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-77.7	133.7	172.2	-53.3	-176.7	0	0	0	110.7	T253 Q282 C283 E287 S288 P331 I332	T253-L285 HydrophobicContact CG2-CD1 4.12Å; T253-L285 HydrophobicContact CG2-CD2 3.61Å; Q282-L285 HydrophobicContact CB-CD1 4.43Å; Q282-L285 HydrophobicContact CB-CG 4.37Å; Q282-L285 WeakPolarHBondContact O-CB 3.22Å; Q282-L285 WeakPolarHBondContact O-CG 3.49Å; Q282-L285 PolarHBondContact O-N 2.97Å; C283-L285 PolarHBondContact O-N 3.4Å; L285-E287 PolarHBondContact O-N 2.86Å; L285-S288 WeakPolarHBondContact O-CB 3.18Å; L285-S288 PolarHBondContact O-N 2.96Å; L285-P331 HydrophobicContact CD2-CB 4.47Å; L285-I332 HydrophobicContact CD2-CG2 4.02Å
286	K	96.1	Very high	97.7	Very high	94 Å²	94	34.7 Å²	34.7	41%	0.409	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-30.4	179.1	-71.1	162.1	174.7	156.1	0	113.4	D330 P331 I332	K286-D330 PolarHBondContact NZ-O 3.18Å; K286-P331 WeakPolarHBondContact CG-O 3.38Å; K286-P331 PolarHBondContact N-O 3.18Å; K286-I332 WeakPolarHBondContact CE-O 3.2Å; K286-I332 PolarHBondContact NZ-O 2.88Å
287	E	95.4	Very high	97.7	Very high	124 Å²	124	37.8 Å²	37.8	58%	0.579	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-8.5	-174.9	-59.6	177.5	146	0	0	113.8	L285 R289 S290 L291	L285-E287 PolarHBondContact O-N 2.86Å; E287-R289 PolarHBondContact O-N 3.32Å; E287-S290 PolarHBondContact O-N 2.73Å; E287-S290 PolarHBondContact O-OG 2.96Å; E287-L291 HydrophobicContact CB-CD1 4.15Å; E287-L291 HydrophobicContact CB-CG 4.41Å; E287-L291 WeakPolarHBondContact O-CG 3.5Å; E287-L291 PolarHBondContact O-N 2.62Å; E287-L291 VanDerWaalsContact O-N 3.15Å
288	S	96.9	Very high	97.7	Very high	4 Å²	4	40.7 Å²	40.7	3%	0.028	20%	0.202	C	C	.	.	H	α-helix	trans	-57.9	-22.9	-173.7	-95.2	0	0	0	0	114.6	Q282 L285 L292	Q282-S288 PolarHBondContact N-OG 3.05Å; Q282-S288 PolarHBondContact O-OG 3.33Å; L285-S288 WeakPolarHBondContact O-CB 3.18Å; L285-S288 PolarHBondContact O-N 2.96Å; S288-L292 VanDerWaalsContact O-CB 3.28Å; S288-L292 WeakPolarHBondContact O-CB 3.42Å; S288-L292 PolarHBondContact O-N 3.33Å
289	R	97.2	Very high	97.7	Very high	98 Å²	98	40.7 Å²	40.7	37%	0.37	20%	0.202	S	C	.	.	H	α-helix	trans	-81.8	-33.4	176.8	-169	175	177.1	-79.4	-4.8	113.3	E287 L293 N343	E287-R289 PolarHBondContact O-N 3.32Å; R289-L293 HydrophobicContact CG-CD1 4.47Å; R289-L293 WeakPolarHBondContact O-CD1 3.5Å; R289-L293 VanDerWaalsContact O-CG 3.32Å; R289-L293 WeakPolarHBondContact O-CG 3.39Å; R289-L293 PolarHBondContact O-N 3.46Å; R289-N343 WeakPolarHBondContact CB-O 3.44Å
290	S	97.4	Very high	97.6	Very high	53 Å²	53	46.2 Å²	46.2	37%	0.371	23%	0.228	S	C	.	.	H	α-helix	trans	-73.1	-48.4	175.2	52.1	0	0	0	0	110.3	E287 L292 L293 E294	E287-S290 PolarHBondContact O-N 2.73Å; E287-S290 PolarHBondContact O-OG 2.96Å; S290-L292 PolarHBondContact O-N 3.41Å; S290-L292 VanDerWaalsContact O-N 3.08Å; S290-L293 PolarHBondContact O-N 3.02Å; S290-E294 VanDerWaalsContact C-OE1 3.24Å; S290-E294 WeakPolarHBondContact CB-OE1 3.48Å; S290-E294 WeakPolarHBondContact O-CG 3.48Å; S290-E294 PolarHBondContact O-N 3.23Å
291	L	97.5	Very high	97.5	Very high	74 Å²	74	49.9 Å²	49.9	39%	0.387	26%	0.259	S	S	.	.	H	α-helix	trans	-55.2	-31.5	176.5	-63.2	171.8	0	0	0	113.3	Y281 E287 A295	Y281-L291 HydrophobicContact CD1-CB 4.48Å; Y281-L291 HydrophobicContact CE1-CB 4.1Å; E287-L291 HydrophobicContact CB-CD1 4.15Å; E287-L291 HydrophobicContact CB-CG 4.41Å; E287-L291 WeakPolarHBondContact O-CG 3.5Å; E287-L291 PolarHBondContact O-N 2.62Å; E287-L291 VanDerWaalsContact O-N 3.15Å; L291-A295 WeakPolarHBondContact O-CB 3.39Å; L291-A295 PolarHBondContact O-N 2.61Å; L291-A295 VanDerWaalsContact O-N 3.1Å
292	L	98.6	Very high	97.4	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-76.4	-38.6	176.3	-178.9	60.3	0	0	0	112.8	Y281 S288 S290 A295 L296 V308 C348 M352	Y281-L292 HydrophobicContact CD1-CB 3.97Å; Y281-L292 HydrophobicContact CD1-CD1 4.29Å; Y281-L292 HydrophobicContact CD2-CD1 4.18Å; Y281-L292 HydrophobicContact CE1-CB 4.07Å; Y281-L292 HydrophobicContact CE1-CD1 4.29Å; Y281-L292 HydrophobicContact CE2-CD1 4.15Å; Y281-L292 HydrophobicContact CG-CD1 4.26Å; S288-L292 VanDerWaalsContact O-CB 3.28Å; S288-L292 WeakPolarHBondContact O-CB 3.42Å; S288-L292 PolarHBondContact O-N 3.33Å; S290-L292 PolarHBondContact O-N 3.41Å; S290-L292 VanDerWaalsContact O-N 3.08Å; L292-A295 PolarHBondContact O-N 2.81Å; L292-L296 WeakPolarHBondContact O-CG 3.5Å; L292-L296 PolarHBondContact O-N 3.32Å; L292-V308 HydrophobicContact CD1-CG1 4.04Å; L292-V308 HydrophobicContact CD1-CG2 3.97Å; L292-C348 HydrophobicContact CD2-CB 3.5Å; L292-M352 HydrophobicContact CD1-CG 4.05Å; L292-M352 HydrophobicContact CD1-SD 3.97Å; L292-M352 HydrophobicContact CD2-CG 4.06Å; L292-M352 HydrophobicContact CG-CG 4.42Å
293	L	98.5	Very high	97.4	Very high	60 Å²	60	54 Å²	54	31%	0.314	29%	0.289	S	S	.	.	H	α-helix	trans	-69.8	-39.2	174.5	-69.8	167.1	0	0	0	111.3	R289 S290 L296 N297 V351	R289-L293 HydrophobicContact CG-CD1 4.47Å; R289-L293 WeakPolarHBondContact O-CD1 3.5Å; R289-L293 VanDerWaalsContact O-CG 3.32Å; R289-L293 WeakPolarHBondContact O-CG 3.39Å; R289-L293 PolarHBondContact O-N 3.46Å; S290-L293 PolarHBondContact O-N 3.02Å; L293-L296 PolarHBondContact O-N 3.12Å; L293-N297 VanDerWaalsContact O-CG 3.31Å; L293-N297 PolarHBondContact O-N 2.65Å; L293-N297 PolarHBondContact O-ND2 3.37Å; L293-V351 HydrophobicContact CD2-CG1 3.79Å; L293-V351 HydrophobicContact CD2-CG2 4.4Å
294	E	98.1	Very high	97.4	Very high	102 Å²	102	54 Å²	54	48%	0.477	29%	0.289	S	S	.	.	H	α-helix	trans	-59.5	-44.6	171.7	-71.2	156.2	-139.5	0	0	111.2	S290 N297 L298	S290-E294 VanDerWaalsContact C-OE1 3.24Å; S290-E294 WeakPolarHBondContact CB-OE1 3.48Å; S290-E294 WeakPolarHBondContact O-CG 3.48Å; S290-E294 PolarHBondContact O-N 3.23Å; E294-N297 PolarHBondContact O-N 3.32Å; E294-L298 VanDerWaalsContact O-CB 3.27Å; E294-L298 WeakPolarHBondContact O-CB 3.45Å; E294-L298 PolarHBondContact O-N 2.67Å
295	A	98.6	Very high	97.6	Very high	4 Å²	4	54 Å²	54	3%	0.033	29%	0.289	C	S	.	.	H	α-helix	trans	-66.6	-35.6	176.5	0	0	0	0	0	113.7	M264 Y281 L291 L292 S299 L306	M264-A295 HydrophobicContact CE-CB 3.69Å; Y281-A295 WeakPolarHBondContact OH-CB 3.37Å; L291-A295 WeakPolarHBondContact O-CB 3.39Å; L291-A295 PolarHBondContact O-N 2.61Å; L291-A295 VanDerWaalsContact O-N 3.1Å; L292-A295 PolarHBondContact O-N 2.81Å; A295-S299 VanDerWaalsContact O-CB 3.31Å; A295-S299 WeakPolarHBondContact O-CB 3.09Å; A295-S299 PolarHBondContact O-N 2.92Å; A295-S299 PolarHBondContact O-OG 2.69Å; A295-L306 HydrophobicContact CB-CD1 4.16Å; A295-L306 HydrophobicContact CB-CD2 4.25Å
296	L	98.7	Very high	97.7	Very high	17 Å²	17	53.1 Å²	53.1	9%	0.089	29%	0.285	C	S	.	.	H	α-helix	trans	-61.9	-48.4	171.3	-78.7	166.4	0	0	0	111	L292 L293 S299 Q300 L306 V351 M352 A355 Y363	L292-L296 WeakPolarHBondContact O-CG 3.5Å; L292-L296 PolarHBondContact O-N 3.32Å; L293-L296 PolarHBondContact O-N 3.12Å; L296-S299 PolarHBondContact O-N 2.93Å; L296-S299 PolarHBondContact O-OG 3.41Å; L296-Q300 PolarHBondContact O-N 2.86Å; L296-Q300 VanDerWaalsContact O-N 3.15Å; L296-L306 HydrophobicContact CD2-CD2 3.8Å; L296-L306 HydrophobicContact CG-CD2 3.99Å; L296-V351 HydrophobicContact CD1-CG1 3.67Å; L296-M352 HydrophobicContact CD1-SD 4.24Å; L296-M352 HydrophobicContact CD2-SD 4.02Å; L296-M352 HydrophobicContact CG-SD 4.32Å; L296-A355 HydrophobicContact CD2-CB 4.08Å; L296-Y363 HydrophobicContact CD2-CD1 3.8Å; L296-Y363 HydrophobicContact CD2-CE1 3.66Å; L296-Y363 HydrophobicContact CD2-CG 4.31Å
297	N	98.4	Very high	97.8	Very high	113 Å²	113	48.7 Å²	48.7	60%	0.604	27%	0.266	S	S	*	.	H	α-helix	trans	-60.5	-46.1	176.4	-69.5	-25.1	0	0	0	112	L293 E294 Q300 A301	L293-N297 VanDerWaalsContact O-CG 3.31Å; L293-N297 PolarHBondContact O-N 2.65Å; L293-N297 PolarHBondContact O-ND2 3.37Å; E294-N297 PolarHBondContact O-N 3.32Å; N297-Q300 PolarHBondContact O-N 2.6Å; N297-A301 PolarHBondContact O-N 3.34Å
298	L	98.1	Very high	98	Very high	63 Å²	63	42.8 Å²	42.8	33%	0.33	24%	0.238	S	C	.	.	H	α-helix	trans	-62.1	-45.8	178.7	-175.5	62.3	0	0	0	111.5	L201 M264 E294 Q300 A301 E302 F304	L201-L298 HydrophobicContact CD1-CD1 4.44Å; L201-L298 HydrophobicContact CD1-CD2 4.15Å; L201-L298 HydrophobicContact CD1-CG 4.38Å; M264-L298 HydrophobicContact CG-CD2 4.38Å; E294-L298 VanDerWaalsContact O-CB 3.27Å; E294-L298 WeakPolarHBondContact O-CB 3.45Å; E294-L298 PolarHBondContact O-N 2.67Å; L298-Q300 PolarHBondContact O-N 2.71Å; L298-A301 PolarHBondContact O-N 3.06Å; L298-E302 HydrophobicContact CD1-CG 3.76Å; L298-E302 HydrophobicContact CG-CG 4.31Å; L298-E302 VanDerWaalsContact O-CB 3.27Å; L298-E302 WeakPolarHBondContact O-CB 3.37Å; L298-E302 WeakPolarHBondContact O-CG 3.25Å; L298-E302 PolarHBondContact O-N 3.45Å; L298-F304 HydrophobicContact CG-CZ 4.48Å
299	S	98.3	Very high	98	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.007	24%	0.24	C	C	.	.	H	α-helix	trans	-62.2	-30.4	176.9	71.6	0	0	0	0	113.3	A295 L296 G303 F304	A295-S299 VanDerWaalsContact O-CB 3.31Å; A295-S299 WeakPolarHBondContact O-CB 3.09Å; A295-S299 PolarHBondContact O-N 2.92Å; A295-S299 PolarHBondContact O-OG 2.69Å; L296-S299 PolarHBondContact O-N 2.93Å; L296-S299 PolarHBondContact O-OG 3.41Å; S299-G303 PolarHBondContact O-N 3.47Å; S299-G303 VanDerWaalsContact O-N 3.16Å; S299-F304 PolarHBondContact O-N 3.18Å; S299-F304 VanDerWaalsContact O-O 3.13Å
300	Q	97.3	Very high	98.1	Very high	120 Å²	120	38.6 Å²	38.6	56%	0.561	22%	0.222	S	C	*	.	H	α-helix	trans	-74.6	-42.9	173.5	-177.2	170.2	-75.6	0	0	112.1	L296 N297 L298	L296-Q300 PolarHBondContact O-N 2.86Å; L296-Q300 VanDerWaalsContact O-N 3.15Å; N297-Q300 PolarHBondContact O-N 2.6Å; L298-Q300 PolarHBondContact O-N 2.71Å
301	A	97.4	Very high	98.1	Very high	87 Å²	87	37.5 Å²	37.5	72%	0.719	21%	0.213	S	C	*	.	H	α-helix	trans	-67.4	-39.9	178.5	0	0	0	0	0	112.5	N297 L298	N297-A301 PolarHBondContact O-N 3.34Å; L298-A301 PolarHBondContact O-N 3.06Å
302	E	96.8	Very high	97.9	Very high	58 Å²	58	35.3 Å²	35.3	27%	0.271	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	0.5	-176.4	-68.1	-75.1	-155.7	0	0	114.1	L201 K268 L298 F304	L201-E302 HydrophobicContact CD1-CG 4.36Å; K268-E302 IonicContact NZ-OE1 2.84Å; K268-E302 PolarHBondContact NZ-OE1 3Å; K268-E302 IonicContact NZ-OE2 2.67Å; K268-E302 PolarHBondContact NZ-OE2 3.48Å; L298-E302 HydrophobicContact CD1-CG 3.76Å; L298-E302 HydrophobicContact CG-CG 4.31Å; L298-E302 VanDerWaalsContact O-CB 3.27Å; L298-E302 WeakPolarHBondContact O-CB 3.37Å; L298-E302 WeakPolarHBondContact O-CG 3.25Å; L298-E302 PolarHBondContact O-N 3.45Å; E302-F304 VanDerWaalsContact C-N 3.32Å; E302-F304 HydrophobicContact CB-CD1 3.53Å; E302-F304 HydrophobicContact CB-CE1 3.53Å; E302-F304 HydrophobicContact CG-CE1 4.23Å; E302-F304 PolarHBondContact O-N 3.31Å
303	G	96.5	Very high	97.6	Very high	41 Å²	41	36.4 Å²	36.4	42%	0.423	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	15.6	171.5	0	0	0	0	0	116.2	S299 R362	S299-G303 PolarHBondContact O-N 3.47Å; S299-G303 VanDerWaalsContact O-N 3.16Å; G303-R362 PolarHBondContact O-NH2 3.49Å
304	F	98.3	Very high	97	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-100.9	160.3	177.8	66.3	-101.6	0	0	0	114.2	L201 M264 M267 K268 N271 L298 S299 E302 L306 R362	L201-F304 HydrophobicContact CD1-CE1 4.16Å; M264-F304 HydrophobicContact SD-CE2 4.11Å; M264-F304 HydrophobicContact SD-CZ 3.9Å; M267-F304 HydrophobicContact CB-CD2 3.6Å; M267-F304 HydrophobicContact CB-CE2 3.66Å; M267-F304 HydrophobicContact CB-CG 4.19Å; M267-F304 HydrophobicContact CB-CZ 4.29Å; M267-F304 HydrophobicContact CG-CE2 4.39Å; M267-F304 HydrophobicContact SD-CD2 4.26Å; M267-F304 HydrophobicContact SD-CE2 3.92Å; K268-F304 HydrophobicContact CB-CD1 3.95Å; K268-F304 HydrophobicContact CB-CE1 4.24Å; N271-F304 HydrophobicContact CB-CB 4.34Å; N271-F304 CarbonylContact O-C 3.52Å; N271-F304 WeakPolarHBondContact O-CA 3.44Å; N271-F304 WeakPolarHBondContact O-CB 3.42Å; L298-F304 HydrophobicContact CG-CZ 4.48Å; S299-F304 PolarHBondContact O-N 3.18Å; S299-F304 VanDerWaalsContact O-O 3.13Å; E302-F304 VanDerWaalsContact C-N 3.32Å; E302-F304 HydrophobicContact CB-CD1 3.53Å; E302-F304 HydrophobicContact CB-CE1 3.53Å; E302-F304 HydrophobicContact CG-CE1 4.23Å; E302-F304 PolarHBondContact O-N 3.31Å; F304-L306 HydrophobicContact CE2-CD1 4.12Å; F304-R362 PolarHBondContact O-NH2 2.71Å
305	C	98.6	Very high	96.5	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.014	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-84.6	132	174.9	-65.4	0	0	0	0	110.7	N271 K272 R362	N271-C305 HydrophobicContact CB-CB 4.25Å; N271-C305 WeakPolarHBondContact CB-O 3.38Å; N271-C305 PolarHBondContact ND2-O 3.44Å; N271-C305 PolarHBondContact O-N 3.15Å; K272-C305 PolarHBondContact O-SG 3.48Å; C305-R362 CarbonylContact C-O 3.54Å; C305-R362 WeakPolarHBondContact CA-O 3.45Å; C305-R362 WeakPolarHBondContact CB-O 3.25Å; C305-R362 VanDerWaalsContact SG-CZ 3.55Å; C305-R362 PolarHBondContact SG-NH1 3.21Å
306	L	98.8	Very high	96	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	120.3	-176.1	-169	72.3	0	0	0	111.2	M264 M267 A295 L296 F304 V308 M352 R362 Y363 R364	M264-L306 HydrophobicContact CE-CD1 4.05Å; M264-L306 HydrophobicContact SD-CD1 4.19Å; M267-L306 HydrophobicContact CE-CD1 4.22Å; M267-L306 HydrophobicContact SD-CD1 3.87Å; A295-L306 HydrophobicContact CB-CD1 4.16Å; A295-L306 HydrophobicContact CB-CD2 4.25Å; L296-L306 HydrophobicContact CD2-CD2 3.8Å; L296-L306 HydrophobicContact CG-CD2 3.99Å; F304-L306 HydrophobicContact CE2-CD1 4.12Å; L306-V308 HydrophobicContact CD2-CG2 3.74Å; L306-V308 HydrophobicContact CG-CG2 3.81Å; L306-M352 HydrophobicContact CD2-SD 4.47Å; L306-R362 PolarHBondContact N-O 2.98Å; L306-Y363 HydrophobicContact CB-CD1 3.95Å; L306-Y363 HydrophobicContact CB-CE1 4.43Å; L306-R364 PolarHBondContact O-N 3.22Å
307	G	98.6	Very high	95.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	122.2	169	0	0	0	0	0	111.2	M267 W278 N279	M267-G307 WeakPolarHBondContact CE-O 3.37Å; W278-G307 CarbonylContact C-O 3.5Å; W278-G307 VanDerWaalsContact CA-O 3.28Å; W278-G307 WeakPolarHBondContact CA-O 3.18Å; N279-G307 PolarHBondContact N-O 3.39Å
308	V	98.8	Very high	94.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125.9	-175	175.5	0	0	0	0	111.8	Y281 L292 L306 M352 R364 I365 I366	Y281-V308 HydrophobicContact CD2-CG1 3.85Å; Y281-V308 HydrophobicContact CE2-CG1 4.38Å; Y281-V308 HydrophobicContact CE2-CG2 4.35Å; L292-V308 HydrophobicContact CD1-CG1 4.04Å; L292-V308 HydrophobicContact CD1-CG2 3.97Å; L306-V308 HydrophobicContact CD2-CG2 3.74Å; L306-V308 HydrophobicContact CG-CG2 3.81Å; V308-M352 HydrophobicContact CB-CE 3.98Å; V308-M352 HydrophobicContact CB-CG 4.47Å; V308-M352 HydrophobicContact CB-SD 4.32Å; V308-M352 HydrophobicContact CG1-CG 4.22Å; V308-M352 HydrophobicContact CG2-CE 3.65Å; V308-M352 HydrophobicContact CG2-CG 4.41Å; V308-M352 HydrophobicContact CG2-SD 3.72Å; V308-R364 PolarHBondContact N-O 3.35Å; V308-I365 HydrophobicContact CB-CG1 4.42Å; V308-I365 HydrophobicContact CG1-CD1 4.48Å; V308-I365 HydrophobicContact CG1-CG1 4.35Å; V308-I365 CarbonylContact O-C 3.38Å; V308-I365 WeakPolarHBondContact O-CA 3.41Å; V308-I366 PolarHBondContact O-N 3.2Å
309	K	98.8	Very high	94.5	Very high	14 Å²	14	34 Å²	34	6%	0.061	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	108.9	169	170.5	167	169.7	-178.3	0	110	Q175 L247 D249 N279 T280 Y281 V311 I366	Q175-K309 VanDerWaalsContact NE2-NZ 3.14Å; L247-K309 HydrophobicContact CB-CD 4.15Å; L247-K309 HydrophobicContact CD2-CD 4.26Å; L247-K309 HydrophobicContact CG-CD 4.45Å; D249-K309 IonicContact OD1-NZ 3.46Å; D249-K309 PolarHBondContact OD1-NZ 2.89Å; N279-K309 PolarHBondContact O-N 2.85Å; T280-K309 CarbonylContact C-O 3.57Å; T280-K309 WeakPolarHBondContact CA-O 3.38Å; T280-K309 HydrophobicContact CG2-CG 4.21Å; T280-K309 VanDerWaalsContact OG1-CD 3.31Å; T280-K309 WeakPolarHBondContact OG1-CD 3.41Å; Y281-K309 PolarHBondContact N-O 2.92Å; K309-V311 HydrophobicContact CG-CG1 4.21Å; K309-I366 VanDerWaalsContact CA-CG2 3.49Å; K309-I366 HydrophobicContact CB-CG2 3.57Å; K309-I366 HydrophobicContact CD-CG2 4.4Å; K309-I366 HydrophobicContact CG-CG2 3.84Å
310	L	98.5	Very high	94.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	102.7	-172.4	-163.7	75	0	0	0	111.4	C283 Y345 C348 L349 I365 I366 A368	C283-L310 WeakPolarHBondContact SG-CD1 3.48Å; L310-Y345 HydrophobicContact CD2-CD2 4.39Å; L310-Y345 HydrophobicContact CD2-CE1 4.35Å; L310-Y345 HydrophobicContact CD2-CE2 4.08Å; L310-Y345 HydrophobicContact CG-CD2 4.25Å; L310-Y345 HydrophobicContact CG-CE2 3.86Å; L310-Y345 WeakPolarHBondContact O-CE2 3.26Å; L310-Y345 PolarHBondContact O-OH 2.81Å; L310-Y345 VanDerWaalsContact O-OH 3.14Å; L310-C348 HydrophobicContact CD1-CB 3.63Å; L310-C348 HydrophobicContact CD2-CB 4.19Å; L310-L349 HydrophobicContact CD2-CB 3.79Å; L310-L349 HydrophobicContact CD2-CD1 4.39Å; L310-I365 HydrophobicContact CB-CD1 3.98Å; L310-I365 HydrophobicContact CB-CG1 4.39Å; L310-I365 HydrophobicContact CD2-CD1 4.13Å; L310-I366 PolarHBondContact N-O 3.1Å; L310-A368 WeakPolarHBondContact O-CA 3.36Å; L310-A368 WeakPolarHBondContact O-CB 3.44Å; L310-A368 PolarHBondContact O-N 2.99Å
311	V	96.9	Very high	94	Very high	30 Å²	30	38 Å²	38	18%	0.182	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	165.3	177.7	-59.8	0	0	0	0	110.7	T280 Y281 Q282 C283 K309 A368	T280-V311 HydrophobicContact CG2-CG1 4.3Å; T280-V311 HydrophobicContact CG2-CG2 3.59Å; Y281-V311 WeakPolarHBondContact O-CG2 3.2Å; Y281-V311 PolarHBondContact O-N 2.79Å; Y281-V311 VanDerWaalsContact O-O 3.1Å; Q282-V311 HydrophobicContact CB-CG2 4.28Å; Q282-V311 HydrophobicContact CG-CG2 4.02Å; C283-V311 PolarHBondContact N-O 3.41Å; C283-V311 PolarHBondContact SG-O 3.17Å; K309-V311 HydrophobicContact CG-CG1 4.21Å; V311-A368 HydrophobicContact CG1-CB 3.65Å
312	R	94.5	Very high	93.8	Very high	29 Å²	29	36 Å²	36	11%	0.109	19%	0.188	C	C	.	.			trans	-74.8	-63.3	163.7	-69.6	-177.4	-175.9	77.9	-2.7	110	Q282 C283 Y284 W336 T339 N340 Y345 T369 N371 S374	Q282-R312 CarbonylContact C-O 3.47Å; Q282-R312 WeakPolarHBondContact CA-O 3.4Å; C283-R312 PolarHBondContact N-O 3.01Å; Y284-R312 WeakPolarHBondContact CB-O 3.46Å; Y284-R312 WeakPolarHBondContact CD1-O 3.41Å; Y284-R312 PolarHBondContact N-O 3.46Å; R312-W336 VanDerWaalsContact NE-CH2 3.31Å; R312-T339 HydrophobicContact CB-CG2 4.2Å; R312-T339 HydrophobicContact CG-CG2 4.07Å; R312-N340 VanDerWaalsContact CZ-OD1 3.27Å; R312-N340 PolarHBondContact NE-OD1 2.81Å; R312-N340 PolarHBondContact NH2-OD1 3.32Å; R312-Y345 HydrophobicContact CG-CD2 3.81Å; R312-Y345 HydrophobicContact CG-CE2 4.29Å; R312-Y345 HydrophobicContact CG-CG 4.34Å; R312-T369 PolarHBondContact NH1-OG1 3.12Å; R312-N371 PolarHBondContact NH2-OD1 3.26Å; R312-S374 PolarHBondContact NH2-OG 3.44Å
313	G	91.3	Very high	93.6	Very high	24 Å²	24	33.6 Å²	33.6	25%	0.247	18%	0.178	C	C	.	.			trans	156.9	166.2	179.3	0	0	0	0	0	110.7
314	A	86.8	Confident	93.6	Very high	26 Å²	26	38.2 Å²	38.2	22%	0.215	19%	0.188	C	C	.	.	S	Bend	trans	-116.8	-35.2	179.4	0	0	0	0	0	112.4	M316	A314-M316 PolarHBondContact O-N 3.08Å
315	Y	87.5	Confident	93.4	Very high	17 Å²	17	45.5 Å²	45.5	7%	0.067	22%	0.22	C	C	.	.			trans	-91.4	14.4	-162	-53.5	-74.3	0	0	0	115.5	K177 E251 Y252 D317 K318 E319 R435	K177-Y315 PolarHBondContact NZ-OH 3.44Å; E251-Y315 VanDerWaalsContact O-CD2 3.25Å; E251-Y315 WeakPolarHBondContact O-CD2 3.43Å; E251-Y315 WeakPolarHBondContact O-CE2 3.39Å; Y252-Y315 AromaticContact CD1-CD1 3.83Å; Y252-Y315 HydrophobicContact CD1-CD1 3.83Å; Y252-Y315 HydrophobicContact CD1-CD2 4.45Å; Y252-Y315 HydrophobicContact CD1-CE1 4.38Å; Y252-Y315 AromaticContact CD1-CG 3.85Å; Y252-Y315 HydrophobicContact CD1-CG 3.85Å; Y252-Y315 AromaticContact CE1-CD1 3.32Å; Y252-Y315 HydrophobicContact CE1-CD1 3.32Å; Y252-Y315 AromaticContact CE1-CE1 3.72Å; Y252-Y315 HydrophobicContact CE1-CE1 3.72Å; Y252-Y315 AromaticContact CE1-CG 3.85Å; Y252-Y315 HydrophobicContact CE1-CG 3.85Å; Y252-Y315 AromaticContact CZ-CE1 3.96Å; Y315-D317 VanDerWaalsContact C-N 3.34Å; Y315-D317 PolarHBondContact O-N 3.3Å; Y315-D317 VanDerWaalsContact O-N 3.13Å; Y315-K318 WeakPolarHBondContact O-CA 3.44Å; Y315-K318 WeakPolarHBondContact O-CB 3.44Å; Y315-K318 PolarHBondContact O-N 3.41Å; Y315-E319 PolarHBondContact O-N 2.85Å; Y315-R435 PolarHBondContact OH-NH1 3.34Å
316	M	87.8	Confident	93.2	Very high	60 Å²	60	49.5 Å²	49.5	30%	0.296	24%	0.238	S	C	.	.	H	α-helix	trans	-39.7	-52.7	-177.9	-71.1	163.3	-75.7	0	0	114.8	Y284 A314 K318 R320 I332	Y284-M316 HydrophobicContact CD2-CB 4.4Å; Y284-M316 HydrophobicContact CD2-CG 3.4Å; Y284-M316 HydrophobicContact CE2-CB 4.43Å; Y284-M316 HydrophobicContact CE2-CG 3.81Å; Y284-M316 HydrophobicContact CG-CG 4.36Å; A314-M316 PolarHBondContact O-N 3.08Å; M316-K318 PolarHBondContact O-N 3.44Å; M316-R320 WeakPolarHBondContact O-CG 3.37Å; M316-R320 PolarHBondContact O-N 3.31Å; M316-I332 HydrophobicContact CB-CD1 4.07Å; M316-I332 HydrophobicContact CG-CD1 3.91Å
317	D	85.2	Confident	93	Very high	84 Å²	84	55.4 Å²	55.4	45%	0.449	28%	0.278	S	S	.	.	H	α-helix	trans	-66.7	-19.8	-178.6	-92.7	41.8	0	0	0	114.2	Y315 K321 R441	Y315-D317 VanDerWaalsContact C-N 3.34Å; Y315-D317 PolarHBondContact O-N 3.3Å; Y315-D317 VanDerWaalsContact O-N 3.13Å; D317-K321 WeakPolarHBondContact O-CD 3.35Å; D317-K321 VanDerWaalsContact O-CE 3.28Å; D317-K321 WeakPolarHBondContact O-CE 3.46Å; D317-K321 WeakPolarHBondContact O-CG 3.19Å; D317-K321 PolarHBondContact O-NZ 2.86Å; D317-R441 IonicContact OD1-NH1 3.32Å; D317-R441 IonicContact OD2-CZ 2.62Å; D317-R441 IonicContact OD2-NH1 3.33Å; D317-R441 PolarHBondContact OD2-NH1 3.32Å
318	K	86.8	Confident	92.7	Very high	119 Å²	119	61.3 Å²	61.3	52%	0.517	31%	0.306	S	S	.	.	H	α-helix	trans	-93.5	-46.7	176.7	-79.3	-176.7	168.5	-164.3	0	110.9	Y252 Y315 M316 R320 K321 L322	Y252-K318 HydrophobicContact CD1-CD 4.48Å; Y252-K318 HydrophobicContact CE1-CD 3.58Å; Y252-K318 PolarHBondContact OH-NZ 3.18Å; Y315-K318 WeakPolarHBondContact O-CA 3.44Å; Y315-K318 WeakPolarHBondContact O-CB 3.44Å; Y315-K318 PolarHBondContact O-N 3.41Å; M316-K318 PolarHBondContact O-N 3.44Å; K318-R320 PolarHBondContact O-N 3.16Å; K318-K321 PolarHBondContact O-N 3.18Å; K318-L322 PolarHBondContact O-N 2.76Å
319	E	92.1	Very high	92.4	Very high	3 Å²	3	67.3 Å²	67.3	1%	0.014	34%	0.342	C	S	.	.	H	α-helix	trans	-57.8	-46	179.7	-61.6	-61.9	165.1	0	0	111.9	Y252 T253 Y284 Y315 K321 L322 A323 P331 I332	Y252-E319 WeakPolarHBondContact CA-OE1 3.49Å; T253-E319 WeakPolarHBondContact CB-OE2 3.34Å; T253-E319 VanDerWaalsContact CG2-CD 3.48Å; T253-E319 HydrophobicContact CG2-CG 4.36Å; T253-E319 WeakPolarHBondContact CG2-OE2 3.26Å; T253-E319 PolarHBondContact N-OE1 3.46Å; T253-E319 PolarHBondContact OG1-OE2 2.95Å; Y284-E319 HydrophobicContact CE2-CG 3.98Å; Y284-E319 WeakPolarHBondContact OH-CG 3.24Å; Y315-E319 PolarHBondContact O-N 2.85Å; E319-K321 PolarHBondContact O-N 3.49Å; E319-L322 PolarHBondContact O-N 2.97Å; E319-A323 PolarHBondContact O-N 3.32Å; E319-P331 HydrophobicContact CB-CG 4.46Å; E319-I332 HydrophobicContact CB-CG2 3.91Å; E319-I332 HydrophobicContact CG-CG2 4.4Å
320	R	91.6	Very high	92.2	Very high	78 Å²	78	68.2 Å²	68.2	29%	0.294	35%	0.348	S	S	.	.	H	α-helix	trans	-56.8	-48.2	176.3	-72.4	-172.1	170.7	-62.7	-18.2	112.4	M316 K318 L322 A323 E324 D330 I332 H333	M316-R320 WeakPolarHBondContact O-CG 3.37Å; M316-R320 PolarHBondContact O-N 3.31Å; K318-R320 PolarHBondContact O-N 3.16Å; R320-L322 VanDerWaalsContact C-N 3.29Å; R320-L322 PolarHBondContact O-N 3.37Å; R320-A323 PolarHBondContact O-N 3.42Å; R320-E324 WeakPolarHBondContact O-CB 3.14Å; R320-E324 VanDerWaalsContact O-CG 3.25Å; R320-E324 WeakPolarHBondContact O-CG 3.43Å; R320-E324 PolarHBondContact O-N 2.56Å; R320-D330 IonicContact CZ-OD2 3.91Å; R320-D330 VanDerWaalsContact CZ-OD2 3.3Å; R320-D330 IonicContact NH1-OD1 3.7Å; R320-D330 IonicContact NH1-OD2 2.71Å; R320-D330 PolarHBondContact NH1-OD2 3.3Å; R320-D330 IonicContact NH2-OD2 3.52Å; R320-D330 PolarHBondContact NH2-OD2 3Å; R320-I332 HydrophobicContact CG-CD1 4.08Å; R320-I332 HydrophobicContact CG-CG1 4.3Å; R320-I332 VanDerWaalsContact NH2-CG1 3.28Å; R320-H333 PolarHBondContact NH2-O 3.03Å
321	K	92.4	Very high	92	Very high	126 Å²	126	70 Å²	70	55%	0.548	36%	0.359	S	S	.	.	H	α-helix	trans	-67.5	-29.6	-179.5	-68.5	175.8	-168.8	151.7	0	112.8	D317 K318 E319 K325	D317-K321 WeakPolarHBondContact O-CD 3.35Å; D317-K321 VanDerWaalsContact O-CE 3.28Å; D317-K321 WeakPolarHBondContact O-CE 3.46Å; D317-K321 WeakPolarHBondContact O-CG 3.19Å; D317-K321 PolarHBondContact O-NZ 2.86Å; K318-K321 PolarHBondContact O-N 3.18Å; E319-K321 PolarHBondContact O-N 3.49Å; K321-K325 WeakPolarHBondContact O-CB 3.43Å; K321-K325 PolarHBondContact O-N 3.04Å
322	L	92.8	Very high	91.9	Very high	46 Å²	46	68.9 Å²	68.9	24%	0.241	35%	0.352	C	S	.	.	H	α-helix	trans	-70	-48.8	174.6	-173.1	62.4	0	0	0	110.3	Y254 K318 E319 R320 E324 K325 E326	Y254-L322 HydrophobicContact CD1-CD2 3.63Å; Y254-L322 HydrophobicContact CE1-CD2 3.88Å; K318-L322 PolarHBondContact O-N 2.76Å; E319-L322 PolarHBondContact O-N 2.97Å; R320-L322 VanDerWaalsContact C-N 3.29Å; R320-L322 PolarHBondContact O-N 3.37Å; L322-E324 PolarHBondContact O-N 2.86Å; L322-K325 PolarHBondContact O-N 2.89Å; L322-E326 HydrophobicContact CD1-CG 4.25Å; L322-E326 VanDerWaalsContact CD1-OE1 3.28Å; L322-E326 WeakPolarHBondContact CD1-OE1 3.33Å; L322-E326 WeakPolarHBondContact O-CB 3.16Å; L322-E326 WeakPolarHBondContact O-CG 3.18Å; L322-E326 PolarHBondContact O-N 2.89Å
323	A	94.1	Very high	91.9	Very high	7 Å²	7	68 Å²	68	6%	0.058	35%	0.35	C	S	.	.	H	α-helix	trans	-60.3	-43.6	175.7	0	0	0	0	0	112.4	E319 R320 E326 C327 Q328	E319-A323 PolarHBondContact O-N 3.32Å; R320-A323 PolarHBondContact O-N 3.42Å; A323-E326 PolarHBondContact O-N 3.48Å; A323-C327 WeakPolarHBondContact O-CA 3.34Å; A323-C327 PolarHBondContact O-N 2.95Å; A323-Q328 PolarHBondContact O-N 3.16Å
324	E	95.2	Very high	92	Very high	137 Å²	137	71.4 Å²	71.4	64%	0.64	37%	0.367	S	S	*	.	H	α-helix	trans	-59.5	-46.4	173.3	-74.2	163.7	-166	0	0	112.4	R320 L322 E326	R320-E324 WeakPolarHBondContact O-CB 3.14Å; R320-E324 VanDerWaalsContact O-CG 3.25Å; R320-E324 WeakPolarHBondContact O-CG 3.43Å; R320-E324 PolarHBondContact O-N 2.56Å; L322-E324 PolarHBondContact O-N 2.86Å; E324-E326 PolarHBondContact O-N 2.78Å
325	K	95.5	Very high	92.1	Very high	154 Å²	154	72 Å²	72	67%	0.67	37%	0.37	S	S	*	.	H	α-helix	trans	-64.9	-36.8	179.5	173.3	-167.7	159.4	-117.2	0	112.6	K321 L322	K321-K325 WeakPolarHBondContact O-CB 3.43Å; K321-K325 PolarHBondContact O-N 3.04Å; L322-K325 PolarHBondContact O-N 2.89Å
326	E	94.3	Very high	92.2	Very high	85 Å²	85	76.4 Å²	76.4	40%	0.397	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	7.5	-173	-60.1	-173	177.3	0	0	112.7	L322 A323 E324 Q328	L322-E326 HydrophobicContact CD1-CG 4.25Å; L322-E326 VanDerWaalsContact CD1-OE1 3.28Å; L322-E326 WeakPolarHBondContact CD1-OE1 3.33Å; L322-E326 WeakPolarHBondContact O-CB 3.16Å; L322-E326 WeakPolarHBondContact O-CG 3.18Å; L322-E326 PolarHBondContact O-N 2.89Å; A323-E326 PolarHBondContact O-N 3.48Å; E324-E326 PolarHBondContact O-N 2.78Å; E326-Q328 HydrophobicContact CB-CG 4.15Å; E326-Q328 PolarHBondContact O-N 2.7Å; E326-Q328 PolarHBondContact OE2-NE2 3.47Å; E326-Q328 VanDerWaalsContact OE2-NE2 3.12Å
327	C	93.9	Very high	92.3	Very high	124 Å²	124	79 Å²	79	84%	0.838	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	29.9	-177.8	-62.3	0	0	0	0	113.8	A323	A323-C327 WeakPolarHBondContact O-CA 3.34Å; A323-C327 PolarHBondContact O-N 2.95Å
328	Q	92.2	Very high	92.7	Very high	124 Å²	124	77.4 Å²	77.4	58%	0.579	39%	0.388	S	S	*	.			trans	-91.7	164	-179.9	-68.4	176.7	34	0	0	111.5	A323 E326 D330	A323-Q328 PolarHBondContact O-N 3.16Å; E326-Q328 HydrophobicContact CB-CG 4.15Å; E326-Q328 PolarHBondContact O-N 2.7Å; E326-Q328 PolarHBondContact OE2-NE2 3.47Å; E326-Q328 VanDerWaalsContact OE2-NE2 3.12Å; Q328-D330 PolarHBondContact O-N 2.99Å
329	V	93.3	Very high	92.9	Very high	126 Å²	126	72.4 Å²	72.4	76%	0.764	37%	0.367	S	S	*	.			trans	-67.4	124.2	171.4	179.5	0	0	0	0	108.9	P331	V329-P331 WeakPolarHBondContact O-CD 3.44Å; V329-P331 VanDerWaalsContact O-N 3.1Å
330	D	94.1	Very high	92.9	Very high	34 Å²	34	73.4 Å²	73.4	18%	0.182	37%	0.372	C	S	.	.			trans	-47	115.6	172.2	172.2	19.1	0	0	0	110.7	K286 R320 Q328 I332	K286-D330 PolarHBondContact NZ-O 3.18Å; R320-D330 IonicContact CZ-OD2 3.91Å; R320-D330 VanDerWaalsContact CZ-OD2 3.3Å; R320-D330 IonicContact NH1-OD1 3.7Å; R320-D330 IonicContact NH1-OD2 2.71Å; R320-D330 PolarHBondContact NH1-OD2 3.3Å; R320-D330 IonicContact NH2-OD2 3.52Å; R320-D330 PolarHBondContact NH2-OD2 3Å; Q328-D330 PolarHBondContact O-N 2.99Å; D330-I332 PolarHBondContact O-N 3.44Å; D330-I332 WeakPolarHBondContact OD1-CG1 3.49Å; D330-I332 PolarHBondContact OD1-N 2.75Å
331	P	94.4	Very high	92.8	Very high	36 Å²	36	74.3 Å²	74.3	23%	0.234	38%	0.379	C	S	.	.			trans	-72.3	-13.5	-177	28.3	-33.9	0	0	0	112.5	T253 L285 K286 E319 V329	T253-P331 HydrophobicContact CG2-CB 4.27Å; T253-P331 HydrophobicContact CG2-CG 4.07Å; L285-P331 HydrophobicContact CD2-CB 4.47Å; K286-P331 WeakPolarHBondContact CG-O 3.38Å; K286-P331 PolarHBondContact N-O 3.18Å; E319-P331 HydrophobicContact CB-CG 4.46Å; V329-P331 WeakPolarHBondContact O-CD 3.44Å; V329-P331 VanDerWaalsContact O-N 3.1Å
332	I	94.9	Very high	92	Very high	7 Å²	7	72.8 Å²	72.8	4%	0.036	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-99.4	156.6	-170.9	92.2	161.9	0	0	0	112.8	Y284 L285 K286 M316 E319 R320 D330	Y284-I332 HydrophobicContact CD2-CB 3.87Å; Y284-I332 HydrophobicContact CD2-CD1 3.9Å; Y284-I332 HydrophobicContact CD2-CG2 3.64Å; Y284-I332 HydrophobicContact CE2-CB 4.41Å; Y284-I332 HydrophobicContact CE2-CD1 4.48Å; Y284-I332 HydrophobicContact CE2-CG2 3.68Å; Y284-I332 HydrophobicContact CG-CB 4.47Å; Y284-I332 HydrophobicContact CG-CG2 4.46Å; Y284-I332 CarbonylContact O-C 3.56Å; Y284-I332 WeakPolarHBondContact O-CA 3.48Å; Y284-I332 WeakPolarHBondContact O-CB 3.33Å; L285-I332 HydrophobicContact CD2-CG2 4.02Å; K286-I332 WeakPolarHBondContact CE-O 3.2Å; K286-I332 PolarHBondContact NZ-O 2.88Å; M316-I332 HydrophobicContact CB-CD1 4.07Å; M316-I332 HydrophobicContact CG-CD1 3.91Å; E319-I332 HydrophobicContact CB-CG2 3.91Å; E319-I332 HydrophobicContact CG-CG2 4.4Å; R320-I332 HydrophobicContact CG-CD1 4.08Å; R320-I332 HydrophobicContact CG-CG1 4.3Å; R320-I332 VanDerWaalsContact NH2-CG1 3.28Å; D330-I332 PolarHBondContact O-N 3.44Å; D330-I332 WeakPolarHBondContact OD1-CG1 3.49Å; D330-I332 PolarHBondContact OD1-N 2.75Å
333	H	94.4	Very high	91.4	Very high	12 Å²	12	74.3 Å²	74.3	6%	0.056	39%	0.392	C	S	.	.			trans	-62.7	141.1	173.7	-75.1	-80	0	0	0	111.4	C283 Y284 R320 S335 E338 S344	C283-H333 PolarHBondContact O-CD2 2.85Å; C283-H333 VanDerWaalsContact O-CD2 3.26Å; Y284-H333 PolarHBondContact O-CD2 2.68Å; Y284-H333 VanDerWaalsContact O-CD2 3.28Å; Y284-H333 PolarHBondContact O-N 2.96Å; R320-H333 PolarHBondContact NH2-O 3.03Å; H333-S335 VanDerWaalsContact C-N 3.28Å; H333-S335 PolarHBondContact O-N 2.65Å; H333-E338 HydrophobicContact CB-CB 3.88Å; H333-S344 PolarHBondContact CD2-OG 2.99Å; H333-S344 WeakPolarHBondContact NE2-CB 3.37Å; H333-S344 PolarHBondContact NE2-OG 2.72Å
334	P	92.3	Very high	91.2	Very high	94 Å²	94	74 Å²	74	61%	0.61	39%	0.39	S	S	*	.	S	Bend	trans	-72.7	-17	-171.2	29.8	-36.4	0	0	0	114	E338	P334-E338 HydrophobicContact CG-CB 4.48Å; P334-E338 HydrophobicContact CG-CG 3.87Å
335	S	90.4	Very high	91.3	Very high	40 Å²	40	67.5 Å²	67.5	28%	0.28	36%	0.359	S	S	.	.	S	Bend	trans	-143.8	170.6	176.6	91.9	0	0	0	0	113.3	H333 E337 E338 T339	H333-S335 VanDerWaalsContact C-N 3.28Å; H333-S335 PolarHBondContact O-N 2.65Å; S335-E337 VanDerWaalsContact C-N 3.32Å; S335-E337 WeakPolarHBondContact CB-OE2 3.28Å; S335-E337 PolarHBondContact OG-N 3.25Å; S335-E337 VanDerWaalsContact OG-N 3.13Å; S335-E337 PolarHBondContact OG-OE2 3.29Å; S335-E338 PolarHBondContact OG-N 3.5Å; S335-T339 PolarHBondContact O-N 3.09Å; S335-T339 VanDerWaalsContact O-N 3.15Å; S335-T339 PolarHBondContact O-OG1 3.28Å
336	W	87.9	Confident	91.3	Very high	109 Å²	109	61.5 Å²	61.5	41%	0.413	33%	0.334	S	S	.	.	H	α-helix	trans	-60.2	-42.6	171.2	170.6	-101.3	0	0	0	111.3	R312 T339 N340 N371	R312-W336 VanDerWaalsContact NE-CH2 3.31Å; W336-T339 WeakPolarHBondContact O-CB 3.38Å; W336-T339 PolarHBondContact O-N 2.82Å; W336-N340 PolarHBondContact NE1-ND2 3.38Å; W336-N340 PolarHBondContact O-N 3.26Å; W336-N340 PolarHBondContact O-ND2 3Å; W336-N371 HydrophobicContact CH2-CB 4.45Å; W336-N371 HydrophobicContact CZ2-CB 4.33Å
337	E	91.6	Very high	91.4	Very high	115 Å²	115	57.7 Å²	57.7	54%	0.537	32%	0.318	S	S	.	.	H	α-helix	trans	-63.2	-45.6	-178.5	-59	64	-134.9	0	0	110.6	S335 T339 N340 K341	S335-E337 VanDerWaalsContact C-N 3.32Å; S335-E337 WeakPolarHBondContact CB-OE2 3.28Å; S335-E337 PolarHBondContact OG-N 3.25Å; S335-E337 VanDerWaalsContact OG-N 3.13Å; S335-E337 PolarHBondContact OG-OE2 3.29Å; E337-T339 VanDerWaalsContact C-N 3.33Å; E337-T339 PolarHBondContact O-N 2.86Å; E337-N340 CarbonylContact O-C 3.47Å; E337-N340 WeakPolarHBondContact O-CA 3.48Å; E337-N340 PolarHBondContact O-N 3.36Å; E337-K341 PolarHBondContact O-N 2.62Å
338	E	92.2	Very high	91.6	Very high	50 Å²	50	51.8 Å²	51.8	23%	0.234	28%	0.278	C	S	.	.	H	α-helix	trans	-60.1	-41.9	173.9	-63.7	-50.3	127.5	0	0	112.1	H333 P334 S335 N340 K341 S344	H333-E338 HydrophobicContact CB-CB 3.88Å; P334-E338 HydrophobicContact CG-CB 4.48Å; P334-E338 HydrophobicContact CG-CG 3.87Å; S335-E338 PolarHBondContact OG-N 3.5Å; E338-N340 PolarHBondContact O-N 2.82Å; E338-K341 PolarHBondContact O-N 2.78Å; E338-K341 VanDerWaalsContact O-N 3.1Å; E338-K341 VanDerWaalsContact OE1-CE 3.29Å; E338-K341 WeakPolarHBondContact OE1-CE 3.41Å; E338-K341 IonicContact OE1-NZ 3.19Å; E338-K341 PolarHBondContact OE1-NZ 2.65Å; E338-K341 WeakPolarHBondContact OE2-CD 3.31Å; E338-K341 IonicContact OE2-NZ 2.82Å; E338-K341 PolarHBondContact OE2-NZ 3.29Å; E338-S344 VanDerWaalsContact O-CB 3.26Å; E338-S344 WeakPolarHBondContact O-CB 3.19Å
339	T	91.9	Very high	91.9	Very high	14 Å²	14	45.9 Å²	45.9	9%	0.086	25%	0.251	C	S	.	.	H	α-helix	trans	-61.7	-14.9	174.6	-52.7	0	0	0	0	112.9	R312 S335 W336 E337 S344 Y345	R312-T339 HydrophobicContact CB-CG2 4.2Å; R312-T339 HydrophobicContact CG-CG2 4.07Å; S335-T339 PolarHBondContact O-N 3.09Å; S335-T339 VanDerWaalsContact O-N 3.15Å; S335-T339 PolarHBondContact O-OG1 3.28Å; W336-T339 WeakPolarHBondContact O-CB 3.38Å; W336-T339 PolarHBondContact O-N 2.82Å; E337-T339 VanDerWaalsContact C-N 3.33Å; E337-T339 PolarHBondContact O-N 2.86Å; T339-S344 WeakPolarHBondContact CA-OG 3.42Å; T339-S344 PolarHBondContact O-OG 2.81Å; T339-Y345 WeakPolarHBondContact O-CB 3.4Å; T339-Y345 PolarHBondContact O-N 3.08Å
340	N	90.8	Very high	92.1	Very high	23 Å²	23	41 Å²	41	12%	0.123	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	5	179.1	-71.9	-75.4	0	0	0	113.6	R312 W336 E337 E338 N346	R312-N340 VanDerWaalsContact CZ-OD1 3.27Å; R312-N340 PolarHBondContact NE-OD1 2.81Å; R312-N340 PolarHBondContact NH2-OD1 3.32Å; W336-N340 PolarHBondContact NE1-ND2 3.38Å; W336-N340 PolarHBondContact O-N 3.26Å; W336-N340 PolarHBondContact O-ND2 3Å; E337-N340 CarbonylContact O-C 3.47Å; E337-N340 WeakPolarHBondContact O-CA 3.48Å; E337-N340 PolarHBondContact O-N 3.36Å; E338-N340 PolarHBondContact O-N 2.82Å; N340-N346 WeakPolarHBondContact O-CB 3.44Å; N340-N346 PolarHBondContact O-ND2 3.01Å
341	K	89.5	Confident	92.3	Very high	98 Å²	98	40.2 Å²	40.2	43%	0.426	22%	0.217	S	C	.	.	S	Bend	trans	-79.6	173.8	179.1	-84.1	-179.6	-176.5	175.6	0	113.7	E337 E338 N343 S344 G347	E337-K341 PolarHBondContact O-N 2.62Å; E338-K341 PolarHBondContact O-N 2.78Å; E338-K341 VanDerWaalsContact O-N 3.1Å; E338-K341 VanDerWaalsContact OE1-CE 3.29Å; E338-K341 WeakPolarHBondContact OE1-CE 3.41Å; E338-K341 IonicContact OE1-NZ 3.19Å; E338-K341 PolarHBondContact OE1-NZ 2.65Å; E338-K341 WeakPolarHBondContact OE2-CD 3.31Å; E338-K341 IonicContact OE2-NZ 2.82Å; E338-K341 PolarHBondContact OE2-NZ 3.29Å; K341-N343 WeakPolarHBondContact CB-OD1 3.48Å; K341-N343 PolarHBondContact O-N 2.99Å; K341-S344 CarbonylContact O-C 3.59Å; K341-S344 WeakPolarHBondContact O-CA 3.21Å; K341-S344 PolarHBondContact O-N 3.25Å; K341-G347 PolarHBondContact O-N 2.67Å
342	S	76.7	Confident	92.5	Very high	94 Å²	94	38.5 Å²	38.5	66%	0.657	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-10.4	-178.9	48.2	0	0	0	0	115.1	G347	S342-G347 WeakPolarHBondContact O-CA 3.46Å
343	N	79.4	Confident	92.7	Very high	77 Å²	77	38.2 Å²	38.2	41%	0.412	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-9.8	167.1	58.8	-18.9	0	0	0	113.1	R289 K341	R289-N343 WeakPolarHBondContact CB-O 3.44Å; K341-N343 WeakPolarHBondContact CB-OD1 3.48Å; K341-N343 PolarHBondContact O-N 2.99Å
344	S	91.1	Very high	92.8	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.014	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.1	-137.4	-172	-172.1	0	0	0	0	110.6	C283 H333 E338 T339 K341 N346 G347 C348	C283-S344 PolarHBondContact O-OG 3.16Å; H333-S344 PolarHBondContact CD2-OG 2.99Å; H333-S344 WeakPolarHBondContact NE2-CB 3.37Å; H333-S344 PolarHBondContact NE2-OG 2.72Å; E338-S344 VanDerWaalsContact O-CB 3.26Å; E338-S344 WeakPolarHBondContact O-CB 3.19Å; T339-S344 WeakPolarHBondContact CA-OG 3.42Å; T339-S344 PolarHBondContact O-OG 2.81Å; K341-S344 CarbonylContact O-C 3.59Å; K341-S344 WeakPolarHBondContact O-CA 3.21Å; K341-S344 PolarHBondContact O-N 3.25Å; S344-N346 VanDerWaalsContact C-N 3.35Å; S344-N346 PolarHBondContact O-N 3.29Å; S344-G347 WeakPolarHBondContact O-CA 3.12Å; S344-G347 PolarHBondContact O-N 2.93Å; S344-C348 PolarHBondContact O-N 3.04Å; S344-C348 PolarHBondContact O-SG 3.43Å
345	Y	96.3	Very high	93.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-50.8	-46.7	-170.2	-169.9	-86.2	0	0	0	114.1	C283 L310 R312 T339 G347 C348 L349	C283-Y345 HydrophobicContact CB-CD2 3.89Å; C283-Y345 HydrophobicContact CB-CG 4.32Å; L310-Y345 HydrophobicContact CD2-CD2 4.39Å; L310-Y345 HydrophobicContact CD2-CE1 4.35Å; L310-Y345 HydrophobicContact CD2-CE2 4.08Å; L310-Y345 HydrophobicContact CG-CD2 4.25Å; L310-Y345 HydrophobicContact CG-CE2 3.86Å; L310-Y345 WeakPolarHBondContact O-CE2 3.26Å; L310-Y345 PolarHBondContact O-OH 2.81Å; L310-Y345 VanDerWaalsContact O-OH 3.14Å; R312-Y345 HydrophobicContact CG-CD2 3.81Å; R312-Y345 HydrophobicContact CG-CE2 4.29Å; R312-Y345 HydrophobicContact CG-CG 4.34Å; T339-Y345 WeakPolarHBondContact O-CB 3.4Å; T339-Y345 PolarHBondContact O-N 3.08Å; Y345-G347 VanDerWaalsContact C-N 3.31Å; Y345-G347 PolarHBondContact O-N 3.3Å; Y345-C348 PolarHBondContact O-N 3.25Å; Y345-L349 HydrophobicContact CE1-CD2 4.5Å; Y345-L349 VanDerWaalsContact O-CB 3.29Å; Y345-L349 WeakPolarHBondContact O-CB 3.38Å; Y345-L349 PolarHBondContact O-N 3.02Å
346	N	95.4	Very high	93.5	Very high	27 Å²	27	36.6 Å²	36.6	14%	0.144	19%	0.186	C	C	.	.	H	α-helix	trans	-71.3	-26	179	-79.6	-23.1	0	0	0	112.7	N340 S344 D350 R377	N340-N346 WeakPolarHBondContact O-CB 3.44Å; N340-N346 PolarHBondContact O-ND2 3.01Å; S344-N346 VanDerWaalsContact C-N 3.35Å; S344-N346 PolarHBondContact O-N 3.29Å; N346-D350 WeakPolarHBondContact O-CB 3.15Å; N346-D350 PolarHBondContact O-N 3.2Å; N346-R377 VanDerWaalsContact CG-CD 3.5Å; N346-R377 WeakPolarHBondContact OD1-CD 3.48Å
347	G	96.4	Very high	94	Very high	6 Å²	6	33.5 Å²	33.5	6%	0.062	18%	0.184	C	C	.	.	H	α-helix	trans	-71.9	-45.2	171.9	0	0	0	0	0	112.9	K341 S342 S344 Y345 L349 D350 V351	K341-G347 PolarHBondContact O-N 2.67Å; S342-G347 WeakPolarHBondContact O-CA 3.46Å; S344-G347 WeakPolarHBondContact O-CA 3.12Å; S344-G347 PolarHBondContact O-N 2.93Å; Y345-G347 VanDerWaalsContact C-N 3.31Å; Y345-G347 PolarHBondContact O-N 3.3Å; G347-L349 VanDerWaalsContact C-N 3.35Å; G347-D350 PolarHBondContact O-N 3.48Å; G347-V351 WeakPolarHBondContact O-CB 3.49Å; G347-V351 VanDerWaalsContact O-CG2 3.29Å; G347-V351 WeakPolarHBondContact O-CG2 3.29Å; G347-V351 PolarHBondContact O-N 2.83Å
348	C	98.3	Very high	94.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.5	-36.6	177.1	-62.9	0	0	0	0	112.4	L292 L310 S344 Y345 M352	L292-C348 HydrophobicContact CD2-CB 3.5Å; L310-C348 HydrophobicContact CD1-CB 3.63Å; L310-C348 HydrophobicContact CD2-CB 4.19Å; S344-C348 PolarHBondContact O-N 3.04Å; S344-C348 PolarHBondContact O-SG 3.43Å; Y345-C348 PolarHBondContact O-N 3.25Å; C348-M352 PolarHBondContact O-N 3.12Å; C348-M352 VanDerWaalsContact O-N 3.1Å
349	L	98.5	Very high	94.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.5	-50.7	173.8	177.6	61.6	0	0	0	111.6	L310 Y345 G347 V351 M352 L353 I365 V367 R377 A378	L310-L349 HydrophobicContact CD2-CB 3.79Å; L310-L349 HydrophobicContact CD2-CD1 4.39Å; Y345-L349 HydrophobicContact CE1-CD2 4.5Å; Y345-L349 VanDerWaalsContact O-CB 3.29Å; Y345-L349 WeakPolarHBondContact O-CB 3.38Å; Y345-L349 PolarHBondContact O-N 3.02Å; G347-L349 VanDerWaalsContact C-N 3.35Å; L349-V351 PolarHBondContact O-N 2.92Å; L349-M352 PolarHBondContact O-N 3.45Å; L349-L353 HydrophobicContact CD1-CD1 3.72Å; L349-L353 HydrophobicContact CD1-CG 4.08Å; L349-L353 HydrophobicContact CG-CD1 4.01Å; L349-L353 WeakPolarHBondContact O-CB 3.26Å; L349-L353 WeakPolarHBondContact O-CG 3.45Å; L349-L353 PolarHBondContact O-N 3.39Å; L349-I365 HydrophobicContact CD1-CD1 4.35Å; L349-V367 HydrophobicContact CD1-CG1 4.01Å; L349-V367 HydrophobicContact CD1-CG2 3.73Å; L349-R377 HydrophobicContact CD2-CG 4.42Å; L349-A378 HydrophobicContact CD1-CB 4.15Å; L349-A378 HydrophobicContact CD2-CB 4Å
350	D	97.7	Very high	94.6	Very high	24 Å²	24	37.7 Å²	37.7	13%	0.128	21%	0.206	C	C	.	.	H	α-helix	trans	-60	-45	177.7	-79.6	22.2	0	0	0	111	N346 G347 M352 L353 E354 R377 R381 W385	N346-D350 WeakPolarHBondContact O-CB 3.15Å; N346-D350 PolarHBondContact O-N 3.2Å; G347-D350 PolarHBondContact O-N 3.48Å; D350-M352 PolarHBondContact O-N 3.37Å; D350-L353 PolarHBondContact O-N 3.39Å; D350-E354 WeakPolarHBondContact O-CB 3.33Å; D350-E354 PolarHBondContact O-N 3Å; D350-R377 VanDerWaalsContact CG-NH2 3.3Å; D350-R377 IonicContact OD1-CZ 2.79Å; D350-R377 IonicContact OD1-NE 3.22Å; D350-R377 PolarHBondContact OD1-NE 3.47Å; D350-R377 IonicContact OD1-NH2 2.73Å; D350-R377 PolarHBondContact OD1-NH2 2.88Å; D350-R377 IonicContact OD2-CZ 3.84Å; D350-R377 IonicContact OD2-NE 3.88Å; D350-R377 IonicContact OD2-NH2 3.61Å; D350-R377 PolarHBondContact OD2-NH2 3.39Å; D350-R381 IonicContact OD1-NE 2.71Å; D350-R381 PolarHBondContact OD1-NE 2.74Å; D350-R381 IonicContact OD2-CZ 3.9Å; D350-R381 IonicContact OD2-NE 3.63Å; D350-R381 PolarHBondContact OD2-NE 2.88Å; D350-R381 IonicContact OD2-NH2 3.79Å; D350-R381 PolarHBondContact OD2-NH2 2.68Å; D350-W385 HydrophobicContact CB-CH2 4.3Å; D350-W385 WeakPolarHBondContact O-CZ3 3.34Å
351	V	98.1	Very high	94.8	Very high	17 Å²	17	41.7 Å²	41.7	10%	0.103	23%	0.228	C	C	.	.	H	α-helix	trans	-57.6	-45.2	177.2	162.4	0	0	0	0	112.5	L293 L296 G347 L349 A355	L293-V351 HydrophobicContact CD2-CG1 3.79Å; L293-V351 HydrophobicContact CD2-CG2 4.4Å; L296-V351 HydrophobicContact CD1-CG1 3.67Å; G347-V351 WeakPolarHBondContact O-CB 3.49Å; G347-V351 VanDerWaalsContact O-CG2 3.29Å; G347-V351 WeakPolarHBondContact O-CG2 3.29Å; G347-V351 PolarHBondContact O-N 2.83Å; L349-V351 PolarHBondContact O-N 2.92Å; V351-A355 WeakPolarHBondContact O-CB 3.38Å; V351-A355 PolarHBondContact O-N 2.79Å
352	M	98.6	Very high	95.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-73	-37.4	-179.6	-82	-60.4	-54.7	0	0	113.1	L292 L296 L306 V308 C348 L349 D350 E354 A355 I356 I365	L292-M352 HydrophobicContact CD1-CG 4.05Å; L292-M352 HydrophobicContact CD1-SD 3.97Å; L292-M352 HydrophobicContact CD2-CG 4.06Å; L292-M352 HydrophobicContact CG-CG 4.42Å; L296-M352 HydrophobicContact CD1-SD 4.24Å; L296-M352 HydrophobicContact CD2-SD 4.02Å; L296-M352 HydrophobicContact CG-SD 4.32Å; L306-M352 HydrophobicContact CD2-SD 4.47Å; V308-M352 HydrophobicContact CB-CE 3.98Å; V308-M352 HydrophobicContact CB-CG 4.47Å; V308-M352 HydrophobicContact CB-SD 4.32Å; V308-M352 HydrophobicContact CG1-CG 4.22Å; V308-M352 HydrophobicContact CG2-CE 3.65Å; V308-M352 HydrophobicContact CG2-CG 4.41Å; V308-M352 HydrophobicContact CG2-SD 3.72Å; C348-M352 PolarHBondContact O-N 3.12Å; C348-M352 VanDerWaalsContact O-N 3.1Å; L349-M352 PolarHBondContact O-N 3.45Å; D350-M352 PolarHBondContact O-N 3.37Å; M352-E354 VanDerWaalsContact C-N 3.34Å; M352-A355 PolarHBondContact O-N 2.73Å; M352-I356 HydrophobicContact CE-CD1 4.36Å; M352-I356 WeakPolarHBondContact O-CB 3.41Å; M352-I356 WeakPolarHBondContact O-CD1 3.04Å; M352-I356 WeakPolarHBondContact O-CG1 3.18Å; M352-I356 PolarHBondContact O-N 2.8Å; M352-I365 HydrophobicContact CB-CD1 3.61Å; M352-I365 HydrophobicContact CE-CB 4.4Å; M352-I365 HydrophobicContact CG-CD1 4.06Å
353	L	98.6	Very high	96.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-68.4	-34.7	176	-69.1	178	0	0	0	111.3	L349 D350 I356 A357 I365 A378 R381 M382 W385 I387 V394	L349-L353 HydrophobicContact CD1-CD1 3.72Å; L349-L353 HydrophobicContact CD1-CG 4.08Å; L349-L353 HydrophobicContact CG-CD1 4.01Å; L349-L353 WeakPolarHBondContact O-CB 3.26Å; L349-L353 WeakPolarHBondContact O-CG 3.45Å; L349-L353 PolarHBondContact O-N 3.39Å; D350-L353 PolarHBondContact O-N 3.39Å; L353-I356 PolarHBondContact O-N 3.18Å; L353-A357 WeakPolarHBondContact O-CB 3.15Å; L353-A357 PolarHBondContact O-N 3.23Å; L353-I365 HydrophobicContact CD2-CG2 4.18Å; L353-A378 HydrophobicContact CD1-CB 4.48Å; L353-R381 HydrophobicContact CD1-CB 3.56Å; L353-R381 HydrophobicContact CD1-CG 4.36Å; L353-M382 HydrophobicContact CD2-CG 4.23Å; L353-W385 HydrophobicContact CB-CE3 3.82Å; L353-W385 HydrophobicContact CB-CZ3 3.64Å; L353-I387 HydrophobicContact CB-CD1 4.08Å; L353-I387 HydrophobicContact CD2-CD1 4Å; L353-I387 WeakPolarHBondContact O-CD1 3.2Å; L353-V394 HydrophobicContact CD2-CB 4.47Å; L353-V394 HydrophobicContact CD2-CG1 4.17Å; L353-V394 HydrophobicContact CD2-CG2 3.42Å; L353-V394 VanDerWaalsContact CD2-CG2 3.42Å
354	E	98	Very high	97.1	Very high	99 Å²	99	35.3 Å²	35.3	46%	0.463	18%	0.181	S	C	.	.	H	α-helix	trans	-64.5	-46.8	172.7	177.8	173.3	-155.2	0	0	111.4	D350 M352 I356 A357 Q358 W385	D350-E354 WeakPolarHBondContact O-CB 3.33Å; D350-E354 PolarHBondContact O-N 3Å; M352-E354 VanDerWaalsContact C-N 3.34Å; E354-I356 VanDerWaalsContact C-N 3.32Å; E354-I356 PolarHBondContact O-N 3.27Å; E354-A357 PolarHBondContact O-N 3.02Å; E354-Q358 WeakPolarHBondContact O-CG 3.29Å; E354-Q358 PolarHBondContact O-N 2.87Å; E354-W385 HydrophobicContact CB-CE3 4.49Å; E354-W385 HydrophobicContact CB-CH2 4Å; E354-W385 HydrophobicContact CB-CZ3 3.9Å; E354-W385 VanDerWaalsContact N-CZ3 3.29Å
355	A	98.3	Very high	97.5	Very high	13 Å²	13	35.2 Å²	35.2	11%	0.107	18%	0.18	C	C	.	.	H	α-helix	trans	-59.7	-42.6	175.1	0	0	0	0	0	111.8	L296 V351 M352 Q358 K359 Y363	L296-A355 HydrophobicContact CD2-CB 4.08Å; V351-A355 WeakPolarHBondContact O-CB 3.38Å; V351-A355 PolarHBondContact O-N 2.79Å; M352-A355 PolarHBondContact O-N 2.73Å; A355-Q358 PolarHBondContact O-N 3.03Å; A355-K359 PolarHBondContact O-N 2.56Å; A355-Y363 HydrophobicContact CB-CD2 3.74Å; A355-Y363 HydrophobicContact CB-CE2 4.05Å; A355-Y363 HydrophobicContact CB-CG 4.28Å; A355-Y363 WeakPolarHBondContact O-CD2 3.34Å
356	I	98.5	Very high	97.6	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-62.9	-43.1	176.7	-74.4	165.3	0	0	0	111.8	M352 L353 E354 Q358 K359 P360 Y363 I365 I387 S393 V394	M352-I356 HydrophobicContact CE-CD1 4.36Å; M352-I356 WeakPolarHBondContact O-CB 3.41Å; M352-I356 WeakPolarHBondContact O-CD1 3.04Å; M352-I356 WeakPolarHBondContact O-CG1 3.18Å; M352-I356 PolarHBondContact O-N 2.8Å; L353-I356 PolarHBondContact O-N 3.18Å; E354-I356 VanDerWaalsContact C-N 3.32Å; E354-I356 PolarHBondContact O-N 3.27Å; I356-Q358 PolarHBondContact O-N 3.36Å; I356-K359 CarbonylContact O-C 3.54Å; I356-K359 PolarHBondContact O-N 3.28Å; I356-P360 WeakPolarHBondContact O-CA 3.33Å; I356-P360 WeakPolarHBondContact O-CB 3.32Å; I356-P360 VanDerWaalsContact O-CD 3.31Å; I356-P360 WeakPolarHBondContact O-CD 3.28Å; I356-Y363 WeakPolarHBondContact CG1-O 3.48Å; I356-I365 HydrophobicContact CD1-CB 3.95Å; I356-I365 HydrophobicContact CD1-CG2 3.38Å; I356-I387 HydrophobicContact CG2-CD1 4.1Å; I356-I387 HydrophobicContact CG2-CG1 4.47Å; I356-I387 HydrophobicContact CG2-CG2 3.93Å; I356-S393 WeakPolarHBondContact CD1-O 3.4Å; I356-V394 HydrophobicContact CD1-CG2 4.16Å; I356-V394 HydrophobicContact CG2-CG2 4.38Å
357	A	97.9	Very high	97.7	Very high	44 Å²	44	34 Å²	34	36%	0.364	17%	0.174	S	C	.	.	H	α-helix	trans	-61.7	-30.3	177.3	0	0	0	0	0	112.5	L353 E354 W385 I387	L353-A357 WeakPolarHBondContact O-CB 3.15Å; L353-A357 PolarHBondContact O-N 3.23Å; E354-A357 PolarHBondContact O-N 3.02Å; A357-W385 HydrophobicContact CB-CB 3.93Å; A357-I387 HydrophobicContact CB-CD1 4.26Å; A357-I387 HydrophobicContact CB-CG1 4.15Å
358	Q	97.1	Very high	97.8	Very high	133 Å²	133	34.6 Å²	34.6	62%	0.621	18%	0.178	S	C	*	.	H	α-helix	trans	-83.9	-35.5	177.3	-64.3	176.6	29.7	0	0	113.8	E354 A355 I356	E354-Q358 WeakPolarHBondContact O-CG 3.29Å; E354-Q358 PolarHBondContact O-N 2.87Å; A355-Q358 PolarHBondContact O-N 3.03Å; I356-Q358 PolarHBondContact O-N 3.36Å
359	K	96.6	Very high	97.6	Very high	76 Å²	76	34.9 Å²	34.9	33%	0.33	18%	0.18	S	C	.	.			trans	-143.8	70.7	-175.8	-55	-177	-161.8	162.8	0	111	A355 I356 D361 R362 Y363	A355-K359 PolarHBondContact O-N 2.56Å; I356-K359 CarbonylContact O-C 3.54Å; I356-K359 PolarHBondContact O-N 3.28Å; K359-D361 PolarHBondContact O-N 2.83Å; K359-D361 VanDerWaalsContact O-N 3.1Å; K359-R362 HydrophobicContact CB-CB 4.02Å; K359-R362 HydrophobicContact CB-CG 4.13Å; K359-R362 PolarHBondContact O-N 3.27Å; K359-R362 VanDerWaalsContact O-N 3.07Å; K359-Y363 HydrophobicContact CB-CD2 3.9Å; K359-Y363 HydrophobicContact CB-CE2 3.79Å; K359-Y363 HydrophobicContact CD-CE2 3.84Å; K359-Y363 HydrophobicContact CG-CE2 4.19Å; K359-Y363 PolarHBondContact O-N 3.16Å
360	P	95.2	Very high	97.2	Very high	57 Å²	57	36.3 Å²	36.3	37%	0.37	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.7	-168.9	23.2	-34	0	0	0	113.7	I356 R364 S393	I356-P360 WeakPolarHBondContact O-CA 3.33Å; I356-P360 WeakPolarHBondContact O-CB 3.32Å; I356-P360 VanDerWaalsContact O-CD 3.31Å; I356-P360 WeakPolarHBondContact O-CD 3.28Å; P360-R364 VanDerWaalsContact O-CZ 3.27Å; P360-R364 PolarHBondContact O-NE 3.01Å; P360-S393 PolarHBondContact O-OG 3.35Å
361	D	94.7	Very high	96.9	Very high	107 Å²	107	36.7 Å²	36.7	57%	0.572	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-32.2	178.1	-62.9	-59.5	0	0	0	114.1	K359 R364	K359-D361 PolarHBondContact O-N 2.83Å; K359-D361 VanDerWaalsContact O-N 3.1Å; D361-R364 PolarHBondContact O-NE 3.17Å; D361-R364 IonicContact OD1-NH2 3.18Å; D361-R364 PolarHBondContact OD1-NH2 3.17Å
362	R	97.1	Very high	96.6	Very high	76 Å²	76	37.3 Å²	37.3	29%	0.287	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-25.5	-172.5	-63.5	-59.3	-59.3	-173.8	-5.5	113.7	K272 G303 F304 C305 L306 K359	K272-R362 PolarHBondContact O-NH1 2.95Å; G303-R362 PolarHBondContact O-NH2 3.49Å; F304-R362 PolarHBondContact O-NH2 2.71Å; C305-R362 CarbonylContact C-O 3.54Å; C305-R362 WeakPolarHBondContact CA-O 3.45Å; C305-R362 WeakPolarHBondContact CB-O 3.25Å; C305-R362 VanDerWaalsContact SG-CZ 3.55Å; C305-R362 PolarHBondContact SG-NH1 3.21Å; L306-R362 PolarHBondContact N-O 2.98Å; K359-R362 HydrophobicContact CB-CB 4.02Å; K359-R362 HydrophobicContact CB-CG 4.13Å; K359-R362 PolarHBondContact O-N 3.27Å; K359-R362 VanDerWaalsContact O-N 3.07Å
363	Y	98.5	Very high	96.2	Very high	16 Å²	16	43.5 Å²	43.5	6%	0.063	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	134.3	-172.5	-53.2	-53.3	0	0	0	109.9	L296 L306 A355 I356 K359	L296-Y363 HydrophobicContact CD2-CD1 3.8Å; L296-Y363 HydrophobicContact CD2-CE1 3.66Å; L296-Y363 HydrophobicContact CD2-CG 4.31Å; L306-Y363 HydrophobicContact CB-CD1 3.95Å; L306-Y363 HydrophobicContact CB-CE1 4.43Å; A355-Y363 HydrophobicContact CB-CD2 3.74Å; A355-Y363 HydrophobicContact CB-CE2 4.05Å; A355-Y363 HydrophobicContact CB-CG 4.28Å; A355-Y363 WeakPolarHBondContact O-CD2 3.34Å; I356-Y363 WeakPolarHBondContact CG1-O 3.48Å; K359-Y363 HydrophobicContact CB-CD2 3.9Å; K359-Y363 HydrophobicContact CB-CE2 3.79Å; K359-Y363 HydrophobicContact CD-CE2 3.84Å; K359-Y363 HydrophobicContact CG-CE2 4.19Å; K359-Y363 PolarHBondContact O-N 3.16Å
364	R	98.4	Very high	96	Very high	43 Å²	43	43.5 Å²	43.5	16%	0.162	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	136.2	-179.4	-48.9	-72.3	-179.2	163	3.4	109.1	A275 W278 L306 V308 P360 D361 G391 S393	A275-R364 HydrophobicContact CB-CB 4.07Å; A275-R364 HydrophobicContact CB-CG 3.83Å; W278-R364 HydrophobicContact CH2-CB 3.39Å; W278-R364 HydrophobicContact CZ2-CB 3.68Å; W278-R364 HydrophobicContact CZ3-CB 4.1Å; W278-R364 WeakPolarHBondContact CZ3-O 3.35Å; L306-R364 PolarHBondContact O-N 3.22Å; V308-R364 PolarHBondContact N-O 3.35Å; P360-R364 VanDerWaalsContact O-CZ 3.27Å; P360-R364 PolarHBondContact O-NE 3.01Å; D361-R364 PolarHBondContact O-NE 3.17Å; D361-R364 IonicContact OD1-NH2 3.18Å; D361-R364 PolarHBondContact OD1-NH2 3.17Å; R364-G391 PolarHBondContact NH1-O 3.41Å; R364-S393 CarbonylContact C-O 3.56Å; R364-S393 WeakPolarHBondContact CA-O 3.38Å; R364-S393 PolarHBondContact NH1-OG 2.9Å
365	I	98.7	Very high	95.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	139.2	-178	-171.3	170.9	0	0	0	113.3	V308 L310 L349 M352 L353 I356 V367 S393 V394 C395	V308-I365 HydrophobicContact CB-CG1 4.42Å; V308-I365 HydrophobicContact CG1-CD1 4.48Å; V308-I365 HydrophobicContact CG1-CG1 4.35Å; V308-I365 CarbonylContact O-C 3.38Å; V308-I365 WeakPolarHBondContact O-CA 3.41Å; L310-I365 HydrophobicContact CB-CD1 3.98Å; L310-I365 HydrophobicContact CB-CG1 4.39Å; L310-I365 HydrophobicContact CD2-CD1 4.13Å; L349-I365 HydrophobicContact CD1-CD1 4.35Å; M352-I365 HydrophobicContact CB-CD1 3.61Å; M352-I365 HydrophobicContact CE-CB 4.4Å; M352-I365 HydrophobicContact CG-CD1 4.06Å; L353-I365 HydrophobicContact CD2-CG2 4.18Å; I356-I365 HydrophobicContact CD1-CB 3.95Å; I356-I365 HydrophobicContact CD1-CG2 3.38Å; I365-V367 HydrophobicContact CD1-CG2 4.27Å; I365-V367 HydrophobicContact CG1-CG2 4.28Å; I365-V367 HydrophobicContact CG2-CG2 4.3Å; I365-S393 PolarHBondContact N-O 3.3Å; I365-V394 HydrophobicContact CG2-CB 4.31Å; I365-V394 HydrophobicContact CG2-CG1 4.06Å; I365-V394 HydrophobicContact CG2-CG2 4Å; I365-V394 WeakPolarHBondContact O-CA 3.47Å; I365-C395 PolarHBondContact O-N 3.46Å
366	I	98.6	Very high	95.7	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	111.3	162.9	-174	169.1	0	0	0	109.4	M173 L247 W278 V308 K309 L310 A368 C395 Y418	M173-I366 HydrophobicContact SD-CD1 4.22Å; L247-I366 HydrophobicContact CD2-CD1 4.01Å; L247-I366 HydrophobicContact CD2-CG2 3.93Å; W278-I366 HydrophobicContact CE3-CG2 4.2Å; W278-I366 HydrophobicContact CZ3-CB 4.26Å; W278-I366 HydrophobicContact CZ3-CG2 4.22Å; V308-I366 PolarHBondContact O-N 3.2Å; K309-I366 VanDerWaalsContact CA-CG2 3.49Å; K309-I366 HydrophobicContact CB-CG2 3.57Å; K309-I366 HydrophobicContact CD-CG2 4.4Å; K309-I366 HydrophobicContact CG-CG2 3.84Å; L310-I366 PolarHBondContact N-O 3.1Å; I366-A368 PolarHBondContact O-N 2.83Å; I366-A368 VanDerWaalsContact O-N 3.12Å; I366-C395 CarbonylContact C-O 3.44Å; I366-C395 WeakPolarHBondContact CA-O 3.3Å; I366-C395 VanDerWaalsContact CB-SG 3.51Å; I366-Y418 HydrophobicContact CD1-CD2 4.06Å; I366-Y418 HydrophobicContact CD1-CG 4.34Å
367	V	98.6	Very high	95.6	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	88.6	-179.3	-173.6	0	0	0	0	107.9	L349 I365 T369 A378 V394 C395 F396 G397	L349-V367 HydrophobicContact CD1-CG1 4.01Å; L349-V367 HydrophobicContact CD1-CG2 3.73Å; I365-V367 HydrophobicContact CD1-CG2 4.27Å; I365-V367 HydrophobicContact CG1-CG2 4.28Å; I365-V367 HydrophobicContact CG2-CG2 4.3Å; V367-T369 HydrophobicContact CG1-CG2 3.98Å; V367-T369 PolarHBondContact O-N 2.74Å; V367-A378 HydrophobicContact CG1-CB 4.15Å; V367-A378 HydrophobicContact CG2-CB 4.42Å; V367-V394 HydrophobicContact CG2-CG1 4.09Å; V367-C395 PolarHBondContact N-O 3.33Å; V367-F396 HydrophobicContact CB-CD1 3.98Å; V367-F396 HydrophobicContact CB-CE1 4.17Å; V367-F396 HydrophobicContact CG1-CD1 4.26Å; V367-F396 HydrophobicContact CG1-CE1 4.22Å; V367-G397 PolarHBondContact O-N 3.4Å
368	A	97.3	Very high	95.6	Very high	19 Å²	19	43.9 Å²	43.9	16%	0.157	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	91	-168.4	0	0	0	0	0	111.9	L310 V311 I366 G397	L310-A368 WeakPolarHBondContact O-CA 3.36Å; L310-A368 WeakPolarHBondContact O-CB 3.44Å; L310-A368 PolarHBondContact O-N 2.99Å; V311-A368 HydrophobicContact CG1-CB 3.65Å; I366-A368 PolarHBondContact O-N 2.83Å; I366-A368 VanDerWaalsContact O-N 3.12Å; A368-G397 CarbonylContact C-O 3.41Å; A368-G397 WeakPolarHBondContact CA-O 3.35Å
369	T	94.3	Very high	95.6	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.031	18%	0.176	C	C	.	.			trans	-158.5	140.7	-172.8	178.7	0	0	0	0	113.4	R312 V367 N371 V375 G397 Q398	R312-T369 PolarHBondContact NH1-OG1 3.12Å; V367-T369 HydrophobicContact CG1-CG2 3.98Å; V367-T369 PolarHBondContact O-N 2.74Å; T369-N371 PolarHBondContact OG1-N 3.04Å; T369-V375 HydrophobicContact CG2-CG2 3.88Å; T369-G397 PolarHBondContact N-O 3.21Å; T369-Q398 WeakPolarHBondContact O-CG 3.4Å; T369-Q398 PolarHBondContact O-NE2 3.2Å
370	H	90.7	Very high	95.5	Very high	31 Å²	31	39.7 Å²	39.7	14%	0.144	19%	0.185	C	C	.	.			trans	-93.9	-12.8	165.5	-55.9	110	0	0	0	113.8	E372 L399 M402 C403	H370-E372 PolarHBondContact O-N 3.15Å; H370-L399 PolarHBondContact NE2-N 2.94Å; H370-M402 PolarHBondContact CD2-O 3.17Å; H370-C403 HydrophobicContact CB-CB 4.04Å
371	N	90.4	Very high	95.6	Very high	32 Å²	32	39.8 Å²	39.8	17%	0.171	18%	0.178	C	C	.	.			trans	-70.9	121.7	177.7	164.7	-84.9	0	0	0	109.9	R312 W336 T369 E373 S374 V375	R312-N371 PolarHBondContact NH2-OD1 3.26Å; W336-N371 HydrophobicContact CH2-CB 4.45Å; W336-N371 HydrophobicContact CZ2-CB 4.33Å; T369-N371 PolarHBondContact OG1-N 3.04Å; N371-E373 VanDerWaalsContact C-N 3.3Å; N371-E373 PolarHBondContact ND2-OE2 2.99Å; N371-E373 PolarHBondContact O-N 2.73Å; N371-E373 WeakPolarHBondContact OD1-CB 3.5Å; N371-E373 PolarHBondContact OD1-N 3.43Å; N371-E373 VanDerWaalsContact OD1-N 3.16Å; N371-S374 PolarHBondContact O-N 3.2Å; N371-S374 PolarHBondContact OD1-N 3.06Å; N371-S374 PolarHBondContact OD1-OG 3.2Å; N371-V375 WeakPolarHBondContact O-CG2 3.31Å; N371-V375 PolarHBondContact O-N 3.15Å
372	E	91.6	Very high	95.7	Very high	29 Å²	29	34.9 Å²	34.9	14%	0.136	15%	0.151	C	C	.	.	H	α-helix	trans	-63.4	-30.3	-174.7	-66.4	-179.7	-171.3	0	0	114.1	F46 H370 V375 R376 H405 V406 K449	F46-E372 VanDerWaalsContact CB-CD 3.45Å; F46-E372 HydrophobicContact CB-CG 4.12Å; F46-E372 WeakPolarHBondContact CB-OE1 3.24Å; F46-E372 HydrophobicContact CD2-CB 3.57Å; F46-E372 HydrophobicContact CD2-CG 3.49Å; F46-E372 VanDerWaalsContact CD2-CG 3.49Å; F46-E372 HydrophobicContact CE2-CB 3.9Å; F46-E372 HydrophobicContact CE2-CG 4.11Å; F46-E372 HydrophobicContact CG-CG 4Å; H370-E372 PolarHBondContact O-N 3.15Å; E372-V375 PolarHBondContact O-N 3.27Å; E372-R376 WeakPolarHBondContact O-CB 3.38Å; E372-R376 WeakPolarHBondContact O-CG 3.16Å; E372-R376 PolarHBondContact O-N 3.05Å; E372-R376 IonicContact OE2-CZ 3.36Å; E372-R376 IonicContact OE2-NH1 3.17Å; E372-R376 PolarHBondContact OE2-NH1 3.28Å; E372-R376 IonicContact OE2-NH2 2.73Å; E372-H405 IonicContact OE1-CD2 3.69Å; E372-H405 IonicContact OE1-NE2 3.26Å; E372-H405 PolarHBondContact OE1-NE2 2.96Å; E372-V406 HydrophobicContact CG-CG2 3.87Å; E372-K449 WeakPolarHBondContact OE1-CD 3.28Å; E372-K449 WeakPolarHBondContact OE1-CE 3.28Å; E372-K449 IonicContact OE1-NZ 3.42Å; E372-K449 PolarHBondContact OE1-NZ 3.45Å; E372-K449 IonicContact OE2-NZ 2.78Å; E372-K449 PolarHBondContact OE2-NZ 3.32Å
373	E	91.2	Very high	95.6	Very high	130 Å²	130	35.9 Å²	35.9	61%	0.607	16%	0.159	S	C	*	.	H	α-helix	trans	-73.3	-41.3	-177.5	-58.4	163	129.9	0	0	110.6	N371 V375 R376 R377	N371-E373 VanDerWaalsContact C-N 3.3Å; N371-E373 PolarHBondContact ND2-OE2 2.99Å; N371-E373 PolarHBondContact O-N 2.73Å; N371-E373 WeakPolarHBondContact OD1-CB 3.5Å; N371-E373 PolarHBondContact OD1-N 3.43Å; N371-E373 VanDerWaalsContact OD1-N 3.16Å; E373-V375 VanDerWaalsContact C-N 3.28Å; E373-V375 PolarHBondContact O-N 2.94Å; E373-R376 PolarHBondContact O-N 2.75Å; E373-R377 WeakPolarHBondContact O-CB 3.45Å; E373-R377 PolarHBondContact O-N 3.05Å
374	S	93.6	Very high	95.5	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.007	18%	0.176	C	C	.	.	H	α-helix	trans	-59.7	-38.9	168.9	-61.7	0	0	0	0	112.2	R312 N371 R377 A378	R312-S374 PolarHBondContact NH2-OG 3.44Å; N371-S374 PolarHBondContact O-N 3.2Å; N371-S374 PolarHBondContact OD1-N 3.06Å; N371-S374 PolarHBondContact OD1-OG 3.2Å; S374-R377 PolarHBondContact O-N 3.24Å; S374-A378 WeakPolarHBondContact O-CB 3.29Å; S374-A378 PolarHBondContact O-N 3.4Å
375	V	95.9	Very high	95.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-68.1	-47.7	177.6	176.9	0	0	0	0	110.9	L44 F46 T369 N371 E372 E373 R377 A378 A379 F396 V406 L410	L44-V375 HydrophobicContact CD1-CG1 4.21Å; F46-V375 HydrophobicContact CE2-CB 4.34Å; F46-V375 HydrophobicContact CE2-CG1 4.21Å; F46-V375 HydrophobicContact CZ-CB 4.26Å; F46-V375 HydrophobicContact CZ-CG1 3.67Å; T369-V375 HydrophobicContact CG2-CG2 3.88Å; N371-V375 WeakPolarHBondContact O-CG2 3.31Å; N371-V375 PolarHBondContact O-N 3.15Å; E372-V375 PolarHBondContact O-N 3.27Å; E373-V375 VanDerWaalsContact C-N 3.28Å; E373-V375 PolarHBondContact O-N 2.94Å; V375-R377 VanDerWaalsContact C-N 3.3Å; V375-R377 PolarHBondContact O-N 2.65Å; V375-A378 PolarHBondContact O-N 3.13Å; V375-A379 WeakPolarHBondContact O-CB 3.4Å; V375-A379 PolarHBondContact O-N 3.27Å; V375-F396 HydrophobicContact CB-CE1 4.42Å; V375-F396 HydrophobicContact CG1-CD1 4.26Å; V375-F396 HydrophobicContact CG1-CE1 3.92Å; V375-F396 HydrophobicContact CG2-CD1 4.31Å; V375-F396 HydrophobicContact CG2-CE1 4.43Å; V375-V406 HydrophobicContact CG1-CG1 4.41Å; V375-V406 HydrophobicContact CG2-CG1 4.01Å; V375-L410 HydrophobicContact CG1-CD1 3.67Å; V375-L410 HydrophobicContact CG1-CD2 3.64Å; V375-L410 HydrophobicContact CG1-CG 3.82Å
376	R	95.3	Very high	95.3	Very high	82 Å²	82	44.7 Å²	44.7	31%	0.309	22%	0.217	S	C	.	.	H	α-helix	trans	-58.5	-40.5	173.6	-74.5	168	-179	133.6	-6.4	111.4	L44 F46 E47 E372 E373 K380	L44-R376 HydrophobicContact CB-CG 4.11Å; L44-R376 PolarHBondContact O-NE 2.75Å; L44-R376 PolarHBondContact O-NH2 2.86Å; F46-R376 HydrophobicContact CE2-CG 4.05Å; E47-R376 IonicContact OE1-CZ 3.71Å; E47-R376 IonicContact OE1-NH2 3.38Å; E47-R376 PolarHBondContact OE1-NH2 3.28Å; E47-R376 IonicContact OE2-NH2 2.68Å; E47-R376 PolarHBondContact OE2-NH2 2.77Å; E372-R376 WeakPolarHBondContact O-CB 3.38Å; E372-R376 WeakPolarHBondContact O-CG 3.16Å; E372-R376 PolarHBondContact O-N 3.05Å; E372-R376 IonicContact OE2-CZ 3.36Å; E372-R376 IonicContact OE2-NH1 3.17Å; E372-R376 PolarHBondContact OE2-NH1 3.28Å; E372-R376 IonicContact OE2-NH2 2.73Å; E373-R376 PolarHBondContact O-N 2.75Å; R376-K380 WeakPolarHBondContact O-CB 3.5Å; R376-K380 PolarHBondContact O-N 2.94Å
377	R	95.5	Very high	95.2	Very high	82 Å²	82	45.6 Å²	45.6	31%	0.309	22%	0.222	S	C	.	.	H	α-helix	trans	-62.1	-51.1	174.8	-172.8	-173.3	-173.2	94	3.4	111.6	N346 L349 D350 E373 S374 V375 K380 R381	N346-R377 VanDerWaalsContact CG-CD 3.5Å; N346-R377 WeakPolarHBondContact OD1-CD 3.48Å; L349-R377 HydrophobicContact CD2-CG 4.42Å; D350-R377 VanDerWaalsContact CG-NH2 3.3Å; D350-R377 IonicContact OD1-CZ 2.79Å; D350-R377 IonicContact OD1-NE 3.22Å; D350-R377 PolarHBondContact OD1-NE 3.47Å; D350-R377 IonicContact OD1-NH2 2.73Å; D350-R377 PolarHBondContact OD1-NH2 2.88Å; D350-R377 IonicContact OD2-CZ 3.84Å; D350-R377 IonicContact OD2-NE 3.88Å; D350-R377 IonicContact OD2-NH2 3.61Å; D350-R377 PolarHBondContact OD2-NH2 3.39Å; E373-R377 WeakPolarHBondContact O-CB 3.45Å; E373-R377 PolarHBondContact O-N 3.05Å; S374-R377 PolarHBondContact O-N 3.24Å; V375-R377 VanDerWaalsContact C-N 3.3Å; V375-R377 PolarHBondContact O-N 2.65Å; R377-K380 PolarHBondContact O-N 3.2Å; R377-R381 HydrophobicContact CG-CG 4.33Å; R377-R381 WeakPolarHBondContact O-CB 3.22Å; R377-R381 WeakPolarHBondContact O-CG 3.46Å; R377-R381 PolarHBondContact O-N 3.02Å
378	A	97.3	Very high	95	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.6	-49.3	-179.8	0	0	0	0	0	111.5	L349 L353 V367 S374 V375 K380 R381 M382 F396	L349-A378 HydrophobicContact CD1-CB 4.15Å; L349-A378 HydrophobicContact CD2-CB 4Å; L353-A378 HydrophobicContact CD1-CB 4.48Å; V367-A378 HydrophobicContact CG1-CB 4.15Å; V367-A378 HydrophobicContact CG2-CB 4.42Å; S374-A378 WeakPolarHBondContact O-CB 3.29Å; S374-A378 PolarHBondContact O-N 3.4Å; V375-A378 PolarHBondContact O-N 3.13Å; A378-K380 PolarHBondContact O-N 3.39Å; A378-R381 PolarHBondContact O-N 3.41Å; A378-M382 WeakPolarHBondContact O-CG 3.46Å; A378-M382 PolarHBondContact O-N 3.24Å; A378-F396 HydrophobicContact CB-CE1 3.75Å; A378-F396 HydrophobicContact CB-CZ 3.9Å
379	A	97.1	Very high	94.9	Very high	4 Å²	4	54.2 Å²	54.2	3%	0.033	26%	0.258	C	S	.	.	H	α-helix	trans	-59.2	-44.2	177.5	0	0	0	0	0	112.4	L44 V375 M382 E383 Y415	L44-A379 HydrophobicContact CD1-CB 3.44Å; L44-A379 VanDerWaalsContact CD1-CB 3.44Å; V375-A379 WeakPolarHBondContact O-CB 3.4Å; V375-A379 PolarHBondContact O-N 3.27Å; A379-M382 PolarHBondContact O-N 3.35Å; A379-E383 PolarHBondContact O-N 3.17Å; A379-E383 VanDerWaalsContact O-N 3.08Å; A379-Y415 HydrophobicContact CB-CE2 4.41Å; A379-Y415 WeakPolarHBondContact CB-OH 3.47Å
380	K	96.1	Very high	94.5	Very high	118 Å²	118	58.3 Å²	58.3	51%	0.513	28%	0.28	S	S	.	.	H	α-helix	trans	-65.2	-40.3	175.3	175.5	171	168.3	171.2	0	112.6	R376 R377 A378 M382 E383 E384	R376-K380 WeakPolarHBondContact O-CB 3.5Å; R376-K380 PolarHBondContact O-N 2.94Å; R377-K380 PolarHBondContact O-N 3.2Å; A378-K380 PolarHBondContact O-N 3.39Å; K380-M382 VanDerWaalsContact C-N 3.33Å; K380-E383 PolarHBondContact O-N 3.01Å; K380-E384 VanDerWaalsContact CE-CD 3.44Å; K380-E384 WeakPolarHBondContact CE-OE1 3.38Å; K380-E384 HydrophobicContact CG-CG 4.26Å; K380-E384 IonicContact NZ-OE1 3.8Å; K380-E384 PolarHBondContact NZ-OE1 2.91Å; K380-E384 WeakPolarHBondContact O-CB 3.27Å; K380-E384 WeakPolarHBondContact O-CG 3.36Å; K380-E384 PolarHBondContact O-N 3.17Å
381	R	96.4	Very high	94.3	Very high	59 Å²	59	58.5 Å²	58.5	22%	0.223	29%	0.29	C	S	.	.	H	α-helix	trans	-64.8	-36.8	175.8	-77.3	-58.8	-164.6	-158.7	17.4	112.2	D350 L353 R377 A378 E384 W385	D350-R381 IonicContact OD1-NE 2.71Å; D350-R381 PolarHBondContact OD1-NE 2.74Å; D350-R381 IonicContact OD2-CZ 3.9Å; D350-R381 IonicContact OD2-NE 3.63Å; D350-R381 PolarHBondContact OD2-NE 2.88Å; D350-R381 IonicContact OD2-NH2 3.79Å; D350-R381 PolarHBondContact OD2-NH2 2.68Å; L353-R381 HydrophobicContact CD1-CB 3.56Å; L353-R381 HydrophobicContact CD1-CG 4.36Å; R377-R381 HydrophobicContact CG-CG 4.33Å; R377-R381 WeakPolarHBondContact O-CB 3.22Å; R377-R381 WeakPolarHBondContact O-CG 3.46Å; R377-R381 PolarHBondContact O-N 3.02Å; A378-R381 PolarHBondContact O-N 3.41Å; R381-E384 WeakPolarHBondContact CD-OE2 3.48Å; R381-E384 IonicContact CZ-OE2 2.93Å; R381-E384 IonicContact NE-OE2 3.56Å; R381-E384 IonicContact NH1-OE2 2.67Å; R381-E384 PolarHBondContact NH1-OE2 3.5Å; R381-W385 HydrophobicContact CB-CE3 4.39Å; R381-W385 HydrophobicContact CB-CZ3 4.45Å; R381-W385 WeakPolarHBondContact O-CB 3.29Å; R381-W385 PolarHBondContact O-N 2.88Å
382	M	97.4	Very high	94.2	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.015	30%	0.296	C	S	.	.	H	α-helix	trans	-62.5	-44.1	171.7	-68.3	172.2	71.1	0	0	111.6	L353 A378 A379 K380 W385 G386 I387 E388 V394 Y415	L353-M382 HydrophobicContact CD2-CG 4.23Å; A378-M382 WeakPolarHBondContact O-CG 3.46Å; A378-M382 PolarHBondContact O-N 3.24Å; A379-M382 PolarHBondContact O-N 3.35Å; K380-M382 VanDerWaalsContact C-N 3.33Å; M382-W385 PolarHBondContact O-N 2.88Å; M382-G386 PolarHBondContact O-N 3.47Å; M382-I387 HydrophobicContact CB-CB 4Å; M382-I387 HydrophobicContact CE-CG2 4.15Å; M382-I387 HydrophobicContact CG-CB 4.08Å; M382-I387 HydrophobicContact CG-CD1 4.36Å; M382-I387 HydrophobicContact CG-CG2 4.33Å; M382-I387 PolarHBondContact O-N 2.98Å; M382-E388 WeakPolarHBondContact CE-O 3.22Å; M382-V394 HydrophobicContact CE-CB 3.74Å; M382-V394 HydrophobicContact CE-CG1 4.17Å; M382-V394 HydrophobicContact CE-CG2 4.09Å; M382-V394 HydrophobicContact CG-CG2 4.28Å; M382-V394 HydrophobicContact SD-CB 3.84Å; M382-V394 HydrophobicContact SD-CG1 3.59Å; M382-V394 VanDerWaalsContact SD-CG1 3.59Å; M382-V394 HydrophobicContact SD-CG2 4.14Å; M382-Y415 HydrophobicContact CE-CD1 4.22Å; M382-Y415 HydrophobicContact CE-CE1 3.93Å; M382-Y415 HydrophobicContact SD-CD1 4.3Å; M382-Y415 HydrophobicContact SD-CE1 3.85Å
383	E	95.4	Very high	94.3	Very high	97 Å²	97	57.3 Å²	57.3	45%	0.453	29%	0.292	S	S	.	.	H	α-helix	trans	-63.5	-46.2	175.6	-171.6	175.4	-162.3	0	0	112	A379 K380 W385 G386	A379-E383 PolarHBondContact O-N 3.17Å; A379-E383 VanDerWaalsContact O-N 3.08Å; K380-E383 PolarHBondContact O-N 3.01Å; E383-W385 VanDerWaalsContact C-N 3.28Å; E383-W385 PolarHBondContact O-N 3.38Å; E383-G386 PolarHBondContact O-N 2.91Å
384	E	95.9	Very high	94.7	Very high	91 Å²	91	51.2 Å²	51.2	43%	0.425	26%	0.263	S	S	.	.	H	α-helix	trans	-63.3	-28	177.8	-75.5	178.9	158.1	0	0	113.8	K380 R381	K380-E384 VanDerWaalsContact CE-CD 3.44Å; K380-E384 WeakPolarHBondContact CE-OE1 3.38Å; K380-E384 HydrophobicContact CG-CG 4.26Å; K380-E384 IonicContact NZ-OE1 3.8Å; K380-E384 PolarHBondContact NZ-OE1 2.91Å; K380-E384 WeakPolarHBondContact O-CB 3.27Å; K380-E384 WeakPolarHBondContact O-CG 3.36Å; K380-E384 PolarHBondContact O-N 3.17Å; R381-E384 WeakPolarHBondContact CD-OE2 3.48Å; R381-E384 IonicContact CZ-OE2 2.93Å; R381-E384 IonicContact NE-OE2 3.56Å; R381-E384 IonicContact NH1-OE2 2.67Å; R381-E384 PolarHBondContact NH1-OE2 3.5Å
385	W	96.5	Very high	94.9	Very high	86 Å²	86	51.4 Å²	51.4	33%	0.326	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	13.6	-176.8	-62.5	-26.8	0	0	0	114.3	D350 L353 E354 A357 R381 M382 E383 I387	D350-W385 HydrophobicContact CB-CH2 4.3Å; D350-W385 WeakPolarHBondContact O-CZ3 3.34Å; L353-W385 HydrophobicContact CB-CE3 3.82Å; L353-W385 HydrophobicContact CB-CZ3 3.64Å; E354-W385 HydrophobicContact CB-CE3 4.49Å; E354-W385 HydrophobicContact CB-CH2 4Å; E354-W385 HydrophobicContact CB-CZ3 3.9Å; E354-W385 VanDerWaalsContact N-CZ3 3.29Å; A357-W385 HydrophobicContact CB-CB 3.93Å; R381-W385 HydrophobicContact CB-CE3 4.39Å; R381-W385 HydrophobicContact CB-CZ3 4.45Å; R381-W385 WeakPolarHBondContact O-CB 3.29Å; R381-W385 PolarHBondContact O-N 2.88Å; M382-W385 PolarHBondContact O-N 2.88Å; E383-W385 VanDerWaalsContact C-N 3.28Å; E383-W385 PolarHBondContact O-N 3.38Å; W385-I387 VanDerWaalsContact C-N 3.26Å; W385-I387 HydrophobicContact CB-CD1 4.37Å; W385-I387 HydrophobicContact CB-CG1 4.23Å; W385-I387 PolarHBondContact O-N 2.84Å
386	G	95.4	Very high	95	Very high	67 Å²	67	51.5 Å²	51.5	69%	0.691	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	21.3	174.2	0	0	0	0	0	115.3	M382 E383 E388	M382-G386 PolarHBondContact O-N 3.47Å; E383-G386 PolarHBondContact O-N 2.91Å; G386-E388 PolarHBondContact O-N 3.13Å
387	I	97.4	Very high	95.1	Very high	21 Å²	21	47.9 Å²	47.9	11%	0.108	25%	0.253	C	S	.	.			trans	-79.1	117.8	-178.5	-50.5	174	0	0	0	109.1	L353 I356 A357 M382 W385 V394	L353-I387 HydrophobicContact CB-CD1 4.08Å; L353-I387 HydrophobicContact CD2-CD1 4Å; L353-I387 WeakPolarHBondContact O-CD1 3.2Å; I356-I387 HydrophobicContact CG2-CD1 4.1Å; I356-I387 HydrophobicContact CG2-CG1 4.47Å; I356-I387 HydrophobicContact CG2-CG2 3.93Å; A357-I387 HydrophobicContact CB-CD1 4.26Å; A357-I387 HydrophobicContact CB-CG1 4.15Å; M382-I387 HydrophobicContact CB-CB 4Å; M382-I387 HydrophobicContact CE-CG2 4.15Å; M382-I387 HydrophobicContact CG-CB 4.08Å; M382-I387 HydrophobicContact CG-CD1 4.36Å; M382-I387 HydrophobicContact CG-CG2 4.33Å; M382-I387 PolarHBondContact O-N 2.98Å; W385-I387 VanDerWaalsContact C-N 3.26Å; W385-I387 HydrophobicContact CB-CD1 4.37Å; W385-I387 HydrophobicContact CB-CG1 4.23Å; W385-I387 PolarHBondContact O-N 2.84Å; I387-V394 HydrophobicContact CG2-CG2 3.84Å
388	E	94.6	Very high	95	Very high	139 Å²	139	44.3 Å²	44.3	65%	0.65	24%	0.24	S	C	*	.			trans	-56.7	140.5	179.6	-63.3	-174.2	152.8	0	0	112.4	M382 G386 D390	M382-E388 WeakPolarHBondContact CE-O 3.22Å; G386-E388 PolarHBondContact O-N 3.13Å; E388-D390 VanDerWaalsContact C-N 3.34Å; E388-D390 PolarHBondContact O-N 3.22Å
389	K	93.9	Very high	94.8	Very high	61 Å²	61	45.9 Å²	45.9	27%	0.265	25%	0.248	S	C	.	.	S	Bend	trans	-61.3	-40.6	-178.8	-65.9	-166.5	176.8	179.8	0	112.5	E413 Y415 P416	K389-E413 VanDerWaalsContact CD-O 3.23Å; K389-E413 WeakPolarHBondContact CD-O 3.49Å; K389-E413 PolarHBondContact NZ-O 2.78Å; K389-Y415 HydrophobicContact CB-CD1 4.03Å; K389-Y415 HydrophobicContact CB-CE1 4.08Å; K389-Y415 HydrophobicContact CD-CD1 4.31Å; K389-Y415 HydrophobicContact CD-CD2 4.35Å; K389-Y415 HydrophobicContact CD-CE1 3.94Å; K389-Y415 HydrophobicContact CD-CE2 3.96Å; K389-Y415 WeakPolarHBondContact CE-OH 3.29Å; K389-Y415 HydrophobicContact CG-CD1 4.08Å; K389-Y415 HydrophobicContact CG-CE1 3.63Å; K389-P416 WeakPolarHBondContact O-CD 3.1Å
390	D	86.8	Confident	94.5	Very high	92 Å²	92	47.2 Å²	47.2	49%	0.492	26%	0.255	S	S	.	.	S	Bend	trans	-121.2	6	-172.5	72	-47.7	0	0	0	115.2	E388 G392 P416	E388-D390 VanDerWaalsContact C-N 3.34Å; E388-D390 PolarHBondContact O-N 3.22Å; D390-G392 PolarHBondContact O-N 3.42Å; D390-P416 HydrophobicContact CB-CG 4.34Å
391	G	86.8	Confident	94.1	Very high	34 Å²	34	41.6 Å²	41.6	35%	0.351	23%	0.231	S	C	.	.	S	Bend	trans	-63.7	13.1	173.6	0	0	0	0	0	115.8	R364 S393	R364-G391 PolarHBondContact NH1-O 3.41Å; G391-S393 VanDerWaalsContact C-N 3.28Å; G391-S393 PolarHBondContact O-N 3.22Å; G391-S393 VanDerWaalsContact O-N 3.14Å
392	G	87.5	Confident	93.6	Very high	29 Å²	29	39 Å²	39	30%	0.299	22%	0.221	S	C	.	.	S	Bend	trans	79.7	-13.1	168.3	0	0	0	0	0	116.7	D390	D390-G392 PolarHBondContact O-N 3.42Å
393	S	94.8	Very high	93.2	Very high	7 Å²	7	39 Å²	39	5%	0.049	22%	0.222	C	C	.	.	S	Bend	trans	-81.1	-24.3	-178.4	-51.9	0	0	0	0	114.9	I356 P360 R364 I365 G391	I356-S393 WeakPolarHBondContact CD1-O 3.4Å; P360-S393 PolarHBondContact O-OG 3.35Å; R364-S393 CarbonylContact C-O 3.56Å; R364-S393 WeakPolarHBondContact CA-O 3.38Å; R364-S393 PolarHBondContact NH1-OG 2.9Å; I365-S393 PolarHBondContact N-O 3.3Å; G391-S393 VanDerWaalsContact C-N 3.28Å; G391-S393 PolarHBondContact O-N 3.22Å; G391-S393 VanDerWaalsContact O-N 3.14Å
394	V	98.1	Very high	92.9	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.012	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.4	174.5	-172.6	0	0	0	0	109.5	L353 I356 I365 V367 M382 I387	L353-V394 HydrophobicContact CD2-CB 4.47Å; L353-V394 HydrophobicContact CD2-CG1 4.17Å; L353-V394 HydrophobicContact CD2-CG2 3.42Å; L353-V394 VanDerWaalsContact CD2-CG2 3.42Å; I356-V394 HydrophobicContact CD1-CG2 4.16Å; I356-V394 HydrophobicContact CG2-CG2 4.38Å; I365-V394 HydrophobicContact CG2-CB 4.31Å; I365-V394 HydrophobicContact CG2-CG1 4.06Å; I365-V394 HydrophobicContact CG2-CG2 4Å; I365-V394 WeakPolarHBondContact O-CA 3.47Å; V367-V394 HydrophobicContact CG2-CG1 4.09Å; M382-V394 HydrophobicContact CE-CB 3.74Å; M382-V394 HydrophobicContact CE-CG1 4.17Å; M382-V394 HydrophobicContact CE-CG2 4.09Å; M382-V394 HydrophobicContact CG-CG2 4.28Å; M382-V394 HydrophobicContact SD-CB 3.84Å; M382-V394 HydrophobicContact SD-CG1 3.59Å; M382-V394 VanDerWaalsContact SD-CG1 3.59Å; M382-V394 HydrophobicContact SD-CG2 4.14Å; I387-V394 HydrophobicContact CG2-CG2 3.84Å
395	C	97.9	Very high	92.7	Very high	6 Å²	6	30.7 Å²	30.7	4%	0.041	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	166.5	166.9	60	0	0	0	0	110.3	I365 I366 V367 P416 Y418	I365-C395 PolarHBondContact O-N 3.46Å; I366-C395 CarbonylContact C-O 3.44Å; I366-C395 WeakPolarHBondContact CA-O 3.3Å; I366-C395 VanDerWaalsContact CB-SG 3.51Å; V367-C395 PolarHBondContact N-O 3.33Å; C395-P416 CarbonylContact C-O 3.5Å; C395-P416 WeakPolarHBondContact CA-O 3.41Å; C395-P416 HydrophobicContact CB-CB 3.83Å; C395-P416 WeakPolarHBondContact CB-O 3.12Å; C395-Y418 HydrophobicContact CB-CD2 3.82Å; C395-Y418 HydrophobicContact CB-CE2 3.58Å
396	F	98.3	Very high	92.6	Very high	1 Å²	1	26.6 Å²	26.6	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	144.6	179.1	-67.3	-91.2	0	0	0	110.2	V367 V375 A378 L410 Y415 P416 V417 Y418	V367-F396 HydrophobicContact CB-CD1 3.98Å; V367-F396 HydrophobicContact CB-CE1 4.17Å; V367-F396 HydrophobicContact CG1-CD1 4.26Å; V367-F396 HydrophobicContact CG1-CE1 4.22Å; V375-F396 HydrophobicContact CB-CE1 4.42Å; V375-F396 HydrophobicContact CG1-CD1 4.26Å; V375-F396 HydrophobicContact CG1-CE1 3.92Å; V375-F396 HydrophobicContact CG2-CD1 4.31Å; V375-F396 HydrophobicContact CG2-CE1 4.43Å; A378-F396 HydrophobicContact CB-CE1 3.75Å; A378-F396 HydrophobicContact CB-CZ 3.9Å; F396-L410 HydrophobicContact CB-CD1 3.82Å; F396-L410 HydrophobicContact CD1-CD1 3.84Å; F396-L410 HydrophobicContact CD2-CD1 4.07Å; F396-L410 HydrophobicContact CD2-CD2 4.07Å; F396-L410 HydrophobicContact CE1-CD1 4.46Å; F396-L410 HydrophobicContact CE1-CD2 4.43Å; F396-L410 HydrophobicContact CE2-CD2 3.96Å; F396-L410 HydrophobicContact CG-CD1 3.62Å; F396-L410 HydrophobicContact CG-CD2 4.37Å; F396-L410 HydrophobicContact CZ-CD2 4.15Å; F396-Y415 HydrophobicContact CD2-CD1 4.48Å; F396-Y415 HydrophobicContact CD2-CG 4.43Å; F396-Y415 AromaticContact CE2-CD1 3.68Å; F396-Y415 HydrophobicContact CE2-CD1 3.68Å; F396-Y415 HydrophobicContact CE2-CE1 4.33Å; F396-Y415 AromaticContact CE2-CG 3.93Å; F396-Y415 HydrophobicContact CE2-CG 3.93Å; F396-P416 PolarHBondContact N-O 2.93Å; F396-V417 HydrophobicContact CB-CG2 4.43Å; F396-Y418 PolarHBondContact O-N 3Å
397	G	97.1	Very high	92.5	Very high	6 Å²	6	23.4 Å²	23.4	6%	0.062	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	125.8	-178.9	0	0	0	0	0	112.3	V367 A368 T369	V367-G397 PolarHBondContact O-N 3.4Å; A368-G397 CarbonylContact C-O 3.41Å; A368-G397 WeakPolarHBondContact CA-O 3.35Å; T369-G397 PolarHBondContact N-O 3.21Å
398	Q	94.9	Very high	92.4	Very high	7 Å²	7	23 Å²	23	3%	0.033	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	155.9	-178.2	-68.9	-176.7	-25	0	0	111.1	T369 V406 S407 Y418 K419 S420	T369-Q398 WeakPolarHBondContact O-CG 3.4Å; T369-Q398 PolarHBondContact O-NE2 3.2Å; Q398-V406 VanDerWaalsContact NE2-CG1 3.28Å; Q398-S407 VanDerWaalsContact OE1-CA 3.31Å; Q398-S407 PolarHBondContact OE1-OG 3.02Å; Q398-Y418 PolarHBondContact N-O 3.39Å; Q398-K419 HydrophobicContact CB-CD 4.04Å; Q398-K419 CarbonylContact O-C 3.35Å; Q398-K419 VanDerWaalsContact O-CA 3.22Å; Q398-K419 WeakPolarHBondContact O-CA 3.48Å; Q398-S420 PolarHBondContact O-N 2.95Å
399	L	92	Very high	92.4	Very high	33 Å²	33	16.9 Å²	16.9	17%	0.173	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	148	173.2	-58.9	177.3	0	0	0	111.2	H370 M402 K419	H370-L399 PolarHBondContact NE2-N 2.94Å; L399-M402 HydrophobicContact CB-CG 4.47Å; L399-M402 HydrophobicContact CB-SD 4.29Å; L399-M402 HydrophobicContact CD1-SD 3.89Å; L399-K419 VanDerWaalsContact O-CE 3.24Å; L399-K419 WeakPolarHBondContact O-CE 3.38Å; L399-K419 PolarHBondContact O-NZ 3.41Å
400	L	91.7	Very high	92.4	Very high	32 Å²	32	14 Å²	14	17%	0.168	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	146.1	166.1	-177.1	56.7	0	0	0	111.3	F107 M123 M402 S420 V421	F107-L400 WeakPolarHBondContact CD1-O 3.31Å; M123-L400 HydrophobicContact CE-CD1 3.73Å; L400-M402 VanDerWaalsContact C-N 3.26Å; L400-M402 PolarHBondContact O-N 3.39Å; L400-S420 WeakPolarHBondContact CB-O 3.47Å; L400-S420 PolarHBondContact N-O 3.39Å; L400-V421 HydrophobicContact CB-CG2 4.28Å; L400-V421 HydrophobicContact CD2-CB 4.44Å; L400-V421 HydrophobicContact CD2-CG1 3.79Å; L400-V421 HydrophobicContact CD2-CG2 4.17Å
401	G	87.6	Confident	92.8	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.01	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	10.8	172.3	0	0	0	0	0	115.4	F67 Q106 F107	F67-G401 WeakPolarHBondContact CZ-O 3.12Å; Q106-G401 PolarHBondContact NE2-O 3.43Å; Q106-G401 WeakPolarHBondContact O-CA 3.42Å; F107-G401 WeakPolarHBondContact CE1-O 3.33Å
402	M	86.2	Confident	93.1	Very high	5 Å²	5	15.6 Å²	15.6	3%	0.025	9%	0.088	C	C	.	.	S	Bend	trans	-139	129.7	-174.3	-58.2	-164.6	83	0	0	112.6	F107 H370 L399 L400 D404 K419 N440 V443 I447	F107-M402 HydrophobicContact CD1-CG 4.49Å; F107-M402 HydrophobicContact CE1-CG 3.83Å; H370-M402 PolarHBondContact CD2-O 3.17Å; L399-M402 HydrophobicContact CB-CG 4.47Å; L399-M402 HydrophobicContact CB-SD 4.29Å; L399-M402 HydrophobicContact CD1-SD 3.89Å; L400-M402 VanDerWaalsContact C-N 3.26Å; L400-M402 PolarHBondContact O-N 3.39Å; M402-D404 PolarHBondContact O-N 3.09Å; M402-K419 PolarHBondContact O-NZ 3.38Å; M402-N440 HydrophobicContact CE-CB 3.97Å; M402-N440 VanDerWaalsContact CE-CG 3.45Å; M402-N440 PolarHBondContact SD-ND2 2.88Å; M402-N440 VanDerWaalsContact SD-ND2 3.41Å; M402-V443 HydrophobicContact CE-CB 4.12Å; M402-V443 HydrophobicContact CE-CG1 3.51Å; M402-I447 HydrophobicContact CE-CD1 3.94Å; M402-I447 HydrophobicContact CE-CG1 4.42Å
403	C	87.5	Confident	93.3	Very high	3 Å²	3	17.3 Å²	17.3	2%	0.02	9%	0.088	C	C	.	.			trans	49.4	44.2	176.6	-61.8	0	0	0	0	112.4	H370 H405 V406 S407 E450	H370-C403 HydrophobicContact CB-CB 4.04Å; C403-H405 PolarHBondContact O-N 2.89Å; C403-H405 VanDerWaalsContact O-N 3.15Å; C403-V406 HydrophobicContact CB-CG2 4.1Å; C403-V406 WeakPolarHBondContact O-CB 3.5Å; C403-V406 PolarHBondContact O-N 3.24Å; C403-S407 PolarHBondContact O-N 2.94Å; C403-E450 WeakPolarHBondContact CA-OE2 3.31Å; C403-E450 VanDerWaalsContact N-CD 3.28Å; C403-E450 PolarHBondContact N-OE1 3.48Å; C403-E450 PolarHBondContact N-OE2 2.93Å
404	D	90.7	Very high	93.3	Very high	10 Å²	10	18.9 Å²	18.9	5%	0.053	11%	0.106	C	C	.	.	H	α-helix	trans	-65.3	-19	-175.2	-71.3	-19.4	0	0	0	112	F52 K55 M402 V406 S407 L408 K419 E450	F52-D404 HydrophobicContact CE1-CB 4.15Å; K55-D404 WeakPolarHBondContact CE-OD2 3.33Å; K55-D404 IonicContact NZ-OD2 3.46Å; K55-D404 PolarHBondContact NZ-OD2 3.11Å; M402-D404 PolarHBondContact O-N 3.09Å; D404-V406 VanDerWaalsContact C-N 3.3Å; D404-V406 PolarHBondContact O-N 2.98Å; D404-S407 PolarHBondContact O-N 3.49Å; D404-L408 HydrophobicContact CB-CD1 4.39Å; D404-L408 VanDerWaalsContact O-CB 3.31Å; D404-L408 WeakPolarHBondContact O-CB 3.47Å; D404-L408 WeakPolarHBondContact O-CD1 3.28Å; D404-L408 WeakPolarHBondContact O-CG 3.48Å; D404-L408 PolarHBondContact O-N 2.9Å; D404-K419 WeakPolarHBondContact OD1-CE 3.39Å; D404-K419 IonicContact OD1-NZ 3.23Å; D404-K419 PolarHBondContact OD1-NZ 2.92Å; D404-E450 PolarHBondContact N-OE1 3.18Å
405	H	91.6	Very high	93.2	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.009	11%	0.107	C	C	.	.	H	α-helix	trans	-61.5	-37.6	169.6	65.3	-70.5	0	0	0	112.3	F46 F52 E372 C403 T409 L453	F46-H405 PolarHBondContact O-CD2 2.7Å; F46-H405 VanDerWaalsContact O-CD2 3.27Å; F52-H405 HydrophobicContact CE2-CB 3.75Å; F52-H405 HydrophobicContact CZ-CB 3.68Å; E372-H405 IonicContact OE1-CD2 3.69Å; E372-H405 IonicContact OE1-NE2 3.26Å; E372-H405 PolarHBondContact OE1-NE2 2.96Å; C403-H405 PolarHBondContact O-N 2.89Å; C403-H405 VanDerWaalsContact O-N 3.15Å; H405-T409 WeakPolarHBondContact O-CB 3.19Å; H405-T409 PolarHBondContact O-N 3.24Å; H405-T409 VanDerWaalsContact O-N 3.08Å; H405-T409 PolarHBondContact O-OG1 3.31Å; H405-L453 HydrophobicContact CB-CD1 3.93Å
406	V	93.4	Very high	93.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-69.7	-43.4	175.4	-169.8	0	0	0	0	110.1	F46 E372 V375 Q398 C403 D404 L410	F46-V406 HydrophobicContact CD1-CB 4.31Å; F46-V406 HydrophobicContact CD1-CG1 4.23Å; F46-V406 HydrophobicContact CD1-CG2 4.35Å; F46-V406 HydrophobicContact CE1-CB 4.25Å; F46-V406 HydrophobicContact CE1-CG1 3.74Å; F46-V406 HydrophobicContact CE2-CG1 4.33Å; F46-V406 HydrophobicContact CG-CG2 4.47Å; F46-V406 HydrophobicContact CZ-CG1 3.81Å; E372-V406 HydrophobicContact CG-CG2 3.87Å; V375-V406 HydrophobicContact CG1-CG1 4.41Å; V375-V406 HydrophobicContact CG2-CG1 4.01Å; Q398-V406 VanDerWaalsContact NE2-CG1 3.28Å; C403-V406 HydrophobicContact CB-CG2 4.1Å; C403-V406 WeakPolarHBondContact O-CB 3.5Å; C403-V406 PolarHBondContact O-N 3.24Å; D404-V406 VanDerWaalsContact C-N 3.3Å; D404-V406 PolarHBondContact O-N 2.98Å; V406-L410 HydrophobicContact CG1-CD1 4.4Å; V406-L410 WeakPolarHBondContact O-CB 3.39Å; V406-L410 WeakPolarHBondContact O-CG 3.25Å; V406-L410 PolarHBondContact O-N 3.24Å; V406-L410 VanDerWaalsContact O-N 3.09Å
407	S	94.8	Very high	93.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59.7	-48.2	178.2	-46.4	0	0	0	0	111.8	L128 Q398 C403 D404 L410 A411 K419	L128-S407 WeakPolarHBondContact CD2-O 3.37Å; Q398-S407 VanDerWaalsContact OE1-CA 3.31Å; Q398-S407 PolarHBondContact OE1-OG 3.02Å; C403-S407 PolarHBondContact O-N 2.94Å; D404-S407 PolarHBondContact O-N 3.49Å; S407-L410 PolarHBondContact O-N 3.19Å; S407-A411 PolarHBondContact O-N 3.47Å; S407-K419 PolarHBondContact OG-NZ 3Å
408	L	94.1	Very high	93.1	Very high	14 Å²	14	19.2 Å²	19.2	7%	0.073	11%	0.105	C	C	.	.	H	α-helix	trans	-78.6	-32.7	-171.9	-66.4	167.8	0	0	0	112.6	A51 V54 M126 L128 D404 K412	A51-L408 HydrophobicContact CB-CB 4.25Å; A51-L408 WeakPolarHBondContact O-CD1 3.45Å; V54-L408 HydrophobicContact CG2-CD1 3.98Å; V54-L408 HydrophobicContact CG2-CD2 4.39Å; M126-L408 HydrophobicContact CB-CD2 3.96Å; M126-L408 HydrophobicContact CE-CD1 4.04Å; M126-L408 HydrophobicContact CE-CD2 3.69Å; M126-L408 HydrophobicContact CE-CG 4.45Å; L128-L408 HydrophobicContact CD1-CD2 3.78Å; L128-L408 HydrophobicContact CD1-CG 4.38Å; L128-L408 HydrophobicContact CD2-CD2 4.46Å; L128-L408 HydrophobicContact CG-CD2 4.05Å; D404-L408 HydrophobicContact CB-CD1 4.39Å; D404-L408 VanDerWaalsContact O-CB 3.31Å; D404-L408 WeakPolarHBondContact O-CB 3.47Å; D404-L408 WeakPolarHBondContact O-CD1 3.28Å; D404-L408 WeakPolarHBondContact O-CG 3.48Å; D404-L408 PolarHBondContact O-N 2.9Å; L408-K412 WeakPolarHBondContact O-CB 3.41Å; L408-K412 PolarHBondContact O-N 3.12Å
409	T	94.3	Very high	93.2	Very high	9 Å²	9	18.9 Å²	18.9	6%	0.055	10%	0.104	C	C	.	.	H	α-helix	trans	-64.8	-44	168.3	-70.7	0	0	0	0	111.1	L44 A45 F46 H405 A411 K412 E413	L44-T409 HydrophobicContact CD2-CG2 3.81Å; A45-T409 PolarHBondContact O-OG1 2.95Å; F46-T409 HydrophobicContact CD1-CG2 3.79Å; F46-T409 HydrophobicContact CE1-CG2 3.62Å; H405-T409 WeakPolarHBondContact O-CB 3.19Å; H405-T409 PolarHBondContact O-N 3.24Å; H405-T409 VanDerWaalsContact O-N 3.08Å; H405-T409 PolarHBondContact O-OG1 3.31Å; T409-A411 PolarHBondContact O-N 3.02Å; T409-K412 PolarHBondContact O-N 3.33Å; T409-E413 WeakPolarHBondContact O-CG 3.49Å; T409-E413 PolarHBondContact O-N 3.06Å
410	L	95.4	Very high	93.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.8	-45.5	176.7	-85.4	172.2	0	0	0	112.9	L44 V375 F396 V406 S407 E413 G414 Y415 V417	L44-L410 HydrophobicContact CD1-CD2 4.27Å; L44-L410 HydrophobicContact CD2-CD2 4.25Å; V375-L410 HydrophobicContact CG1-CD1 3.67Å; V375-L410 HydrophobicContact CG1-CD2 3.64Å; V375-L410 HydrophobicContact CG1-CG 3.82Å; F396-L410 HydrophobicContact CB-CD1 3.82Å; F396-L410 HydrophobicContact CD1-CD1 3.84Å; F396-L410 HydrophobicContact CD2-CD1 4.07Å; F396-L410 HydrophobicContact CD2-CD2 4.07Å; F396-L410 HydrophobicContact CE1-CD1 4.46Å; F396-L410 HydrophobicContact CE1-CD2 4.43Å; F396-L410 HydrophobicContact CE2-CD2 3.96Å; F396-L410 HydrophobicContact CG-CD1 3.62Å; F396-L410 HydrophobicContact CG-CD2 4.37Å; F396-L410 HydrophobicContact CZ-CD2 4.15Å; V406-L410 HydrophobicContact CG1-CD1 4.4Å; V406-L410 WeakPolarHBondContact O-CB 3.39Å; V406-L410 WeakPolarHBondContact O-CG 3.25Å; V406-L410 PolarHBondContact O-N 3.24Å; V406-L410 VanDerWaalsContact O-N 3.09Å; S407-L410 PolarHBondContact O-N 3.19Å; L410-E413 CarbonylContact O-C 3.38Å; L410-E413 PolarHBondContact O-N 2.68Å; L410-G414 PolarHBondContact O-N 2.62Å; L410-Y415 HydrophobicContact CD2-CD2 3.62Å; L410-Y415 HydrophobicContact CD2-CE2 4.26Å; L410-Y415 HydrophobicContact CD2-CG 3.95Å; L410-Y415 PolarHBondContact O-N 3.4Å; L410-V417 HydrophobicContact CB-CG2 3.36Å; L410-V417 HydrophobicContact CD1-CG2 4.01Å; L410-V417 HydrophobicContact CG-CG2 4.33Å
411	A	94.2	Very high	93.4	Very high	18 Å²	18	16 Å²	16	15%	0.149	9%	0.089	C	C	.	.	H	α-helix	trans	-64.2	-41.3	178.2	0	0	0	0	0	112.3	L128 S407 T409 E413 G414 V417	L128-A411 HydrophobicContact CD2-CB 3.92Å; S407-A411 PolarHBondContact O-N 3.47Å; T409-A411 PolarHBondContact O-N 3.02Å; A411-E413 VanDerWaalsContact C-N 3.28Å; A411-E413 PolarHBondContact O-N 3.34Å; A411-G414 PolarHBondContact O-N 3Å; A411-V417 HydrophobicContact CB-CG2 4.47Å
412	K	92.8	Very high	93.6	Very high	143 Å²	143	16 Å²	16	62%	0.622	9%	0.089	S	C	*	.	H	α-helix	trans	-59.6	-37.6	173.1	176.4	-168.9	167.6	-158.8	0	112.2	L408 T409 G414	L408-K412 WeakPolarHBondContact O-CB 3.41Å; L408-K412 PolarHBondContact O-N 3.12Å; T409-K412 PolarHBondContact O-N 3.33Å; K412-G414 PolarHBondContact O-N 3.42Å
413	E	92.8	Very high	93.9	Very high	64 Å²	64	16.8 Å²	16.8	30%	0.299	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	8.3	175.9	-65.7	-54	134	0	0	113.9	L44 K389 T409 L410 A411 Y415	L44-E413 HydrophobicContact CD2-CB 4.24Å; L44-E413 HydrophobicContact CD2-CG 3.85Å; K389-E413 VanDerWaalsContact CD-O 3.23Å; K389-E413 WeakPolarHBondContact CD-O 3.49Å; K389-E413 PolarHBondContact NZ-O 2.78Å; T409-E413 WeakPolarHBondContact O-CG 3.49Å; T409-E413 PolarHBondContact O-N 3.06Å; L410-E413 CarbonylContact O-C 3.38Å; L410-E413 PolarHBondContact O-N 2.68Å; A411-E413 VanDerWaalsContact C-N 3.28Å; A411-E413 PolarHBondContact O-N 3.34Å; E413-Y415 HydrophobicContact CB-CD2 3.98Å; E413-Y415 HydrophobicContact CB-CE2 4.05Å
414	G	93.8	Very high	94.1	Very high	40 Å²	40	17.1 Å²	17.1	41%	0.412	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	7.2	172.2	0	0	0	0	0	115.9	L410 A411 K412	L410-G414 PolarHBondContact O-N 2.62Å; A411-G414 PolarHBondContact O-N 3Å; K412-G414 PolarHBondContact O-N 3.42Å
415	Y	96.6	Very high	94	Very high	9 Å²	9	17.8 Å²	17.8	4%	0.035	10%	0.101	C	C	.	.			trans	-82.6	139.2	179.2	-66	-81.2	0	0	0	112.1	A379 M382 K389 F396 L410 E413 V417	A379-Y415 HydrophobicContact CB-CE2 4.41Å; A379-Y415 WeakPolarHBondContact CB-OH 3.47Å; M382-Y415 HydrophobicContact CE-CD1 4.22Å; M382-Y415 HydrophobicContact CE-CE1 3.93Å; M382-Y415 HydrophobicContact SD-CD1 4.3Å; M382-Y415 HydrophobicContact SD-CE1 3.85Å; K389-Y415 HydrophobicContact CB-CD1 4.03Å; K389-Y415 HydrophobicContact CB-CE1 4.08Å; K389-Y415 HydrophobicContact CD-CD1 4.31Å; K389-Y415 HydrophobicContact CD-CD2 4.35Å; K389-Y415 HydrophobicContact CD-CE1 3.94Å; K389-Y415 HydrophobicContact CD-CE2 3.96Å; K389-Y415 WeakPolarHBondContact CE-OH 3.29Å; K389-Y415 HydrophobicContact CG-CD1 4.08Å; K389-Y415 HydrophobicContact CG-CE1 3.63Å; F396-Y415 HydrophobicContact CD2-CD1 4.48Å; F396-Y415 HydrophobicContact CD2-CG 4.43Å; F396-Y415 AromaticContact CE2-CD1 3.68Å; F396-Y415 HydrophobicContact CE2-CD1 3.68Å; F396-Y415 HydrophobicContact CE2-CE1 4.33Å; F396-Y415 AromaticContact CE2-CG 3.93Å; F396-Y415 HydrophobicContact CE2-CG 3.93Å; L410-Y415 HydrophobicContact CD2-CD2 3.62Å; L410-Y415 HydrophobicContact CD2-CE2 4.26Å; L410-Y415 HydrophobicContact CD2-CG 3.95Å; L410-Y415 PolarHBondContact O-N 3.4Å; E413-Y415 HydrophobicContact CB-CD2 3.98Å; E413-Y415 HydrophobicContact CB-CE2 4.05Å; Y415-V417 PolarHBondContact O-N 2.98Å; Y415-V417 VanDerWaalsContact O-N 3.16Å
416	P	96.6	Very high	93.7	Very high	7 Å²	7	17.9 Å²	17.9	5%	0.045	10%	0.102	C	C	.	.			trans	-63.2	111.2	168	-23.2	34.1	0	0	0	111.6	K389 D390 C395 F396	K389-P416 WeakPolarHBondContact O-CD 3.1Å; D390-P416 HydrophobicContact CB-CG 4.34Å; C395-P416 CarbonylContact C-O 3.5Å; C395-P416 WeakPolarHBondContact CA-O 3.41Å; C395-P416 HydrophobicContact CB-CB 3.83Å; C395-P416 WeakPolarHBondContact CB-O 3.12Å; F396-P416 PolarHBondContact N-O 2.93Å
417	V	97.2	Very high	93.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	115.8	176.5	-173.8	0	0	0	0	110.1	L128 R129 F396 L410 A411 Y415	L128-V417 HydrophobicContact CD2-CB 3.8Å; L128-V417 HydrophobicContact CD2-CG1 3.86Å; L128-V417 HydrophobicContact CD2-CG2 4.44Å; R129-V417 WeakPolarHBondContact CB-O 3.45Å; R129-V417 PolarHBondContact N-O 3.26Å; F396-V417 HydrophobicContact CB-CG2 4.43Å; L410-V417 HydrophobicContact CB-CG2 3.36Å; L410-V417 HydrophobicContact CD1-CG2 4.01Å; L410-V417 HydrophobicContact CG-CG2 4.33Å; A411-V417 HydrophobicContact CB-CG2 4.47Å; Y415-V417 PolarHBondContact O-N 2.98Å; Y415-V417 VanDerWaalsContact O-N 3.16Å
418	Y	97.3	Very high	92.7	Very high	6 Å²	6	23.1 Å²	23.1	2%	0.024	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.7	170.6	-65.2	-87.3	0	0	0	111.6	R129 M131 D171 M173 I366 C395 F396 Q398	R129-Y418 HydrophobicContact CB-CD1 3.42Å; R129-Y418 VanDerWaalsContact CB-CD1 3.42Å; R129-Y418 HydrophobicContact CB-CE1 3.46Å; R129-Y418 VanDerWaalsContact CB-CE1 3.46Å; R129-Y418 HydrophobicContact CB-CG 4.07Å; R129-Y418 WeakPolarHBondContact CD-OH 3.41Å; R129-Y418 HydrophobicContact CG-CD1 4.47Å; R129-Y418 HydrophobicContact CG-CE1 4.12Å; R129-Y418 PolarHBondContact NH1-OH 3.19Å; R129-Y418 CarbonylContact O-C 3.56Å; R129-Y418 WeakPolarHBondContact O-CA 3.4Å; M131-Y418 HydrophobicContact CB-CD1 4.42Å; D171-Y418 VanDerWaalsContact CB-OH 3.26Å; D171-Y418 WeakPolarHBondContact CB-OH 3.37Å; D171-Y418 WeakPolarHBondContact O-CE1 3.17Å; D171-Y418 PolarHBondContact O-OH 3.05Å; M173-Y418 HydrophobicContact CB-CD1 4.29Å; M173-Y418 HydrophobicContact CB-CE1 4.34Å; M173-Y418 HydrophobicContact CE-CD2 4.16Å; M173-Y418 HydrophobicContact CE-CE1 4.25Å; M173-Y418 HydrophobicContact CE-CE2 3.6Å; M173-Y418 HydrophobicContact CG-CD1 3.94Å; M173-Y418 HydrophobicContact CG-CE1 3.62Å; M173-Y418 HydrophobicContact SD-CD1 3.78Å; M173-Y418 HydrophobicContact SD-CD2 3.78Å; M173-Y418 HydrophobicContact SD-CE1 3.75Å; M173-Y418 HydrophobicContact SD-CE2 3.74Å; M173-Y418 HydrophobicContact SD-CG 3.8Å; I366-Y418 HydrophobicContact CD1-CD2 4.06Å; I366-Y418 HydrophobicContact CD1-CG 4.34Å; C395-Y418 HydrophobicContact CB-CD2 3.82Å; C395-Y418 HydrophobicContact CB-CE2 3.58Å; F396-Y418 PolarHBondContact O-N 3Å; Q398-Y418 PolarHBondContact N-O 3.39Å
419	K	96.4	Very high	92.3	Very high	1 Å²	1	22.5 Å²	22.5	0%	0.004	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	124.5	166.8	-58.4	-71.7	-87.6	-176	0	109.1	M123 L128 R129 M131 Q398 L399 M402 D404 S407 V421	M123-K419 HydrophobicContact CE-CB 4.24Å; M123-K419 HydrophobicContact SD-CB 3.62Å; M123-K419 HydrophobicContact SD-CG 3.88Å; L128-K419 HydrophobicContact CB-CG 4.36Å; L128-K419 HydrophobicContact CD1-CD 4.48Å; L128-K419 HydrophobicContact CD1-CG 4.14Å; R129-K419 PolarHBondContact O-N 2.87Å; M131-K419 WeakPolarHBondContact CB-O 3.2Å; M131-K419 PolarHBondContact N-O 2.66Å; Q398-K419 HydrophobicContact CB-CD 4.04Å; Q398-K419 CarbonylContact O-C 3.35Å; Q398-K419 VanDerWaalsContact O-CA 3.22Å; Q398-K419 WeakPolarHBondContact O-CA 3.48Å; L399-K419 VanDerWaalsContact O-CE 3.24Å; L399-K419 WeakPolarHBondContact O-CE 3.38Å; L399-K419 PolarHBondContact O-NZ 3.41Å; M402-K419 PolarHBondContact O-NZ 3.38Å; D404-K419 WeakPolarHBondContact OD1-CE 3.39Å; D404-K419 IonicContact OD1-NZ 3.23Å; D404-K419 PolarHBondContact OD1-NZ 2.92Å; S407-K419 PolarHBondContact OG-NZ 3Å; K419-V421 HydrophobicContact CB-CG2 4.28Å; K419-V421 WeakPolarHBondContact O-CG2 3.34Å; K419-V421 PolarHBondContact O-N 3.14Å
420	S	94.4	Very high	91.8	Very high	5 Å²	5	23.1 Å²	23.1	4%	0.035	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	121.8	166.1	172.1	0	0	0	0	108.9	Q175 Q398 L400	Q175-S420 VanDerWaalsContact OE1-CB 3.27Å; Q175-S420 PolarHBondContact OE1-OG 2.99Å; Q398-S420 PolarHBondContact O-N 2.95Å; L400-S420 WeakPolarHBondContact CB-O 3.47Å; L400-S420 PolarHBondContact N-O 3.39Å
421	V	93.1	Very high	91.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	109.9	-173.4	-177.8	0	0	0	0	111	A109 M120 M123 M131 A133 L400 K419	A109-V421 HydrophobicContact CB-CG1 3.63Å; M120-V421 HydrophobicContact CE-CG1 3.76Å; M120-V421 HydrophobicContact SD-CG1 4.42Å; M123-V421 HydrophobicContact CE-CG2 3.61Å; M123-V421 HydrophobicContact SD-CG2 4.14Å; M131-V421 PolarHBondContact O-N 3.27Å; A133-V421 PolarHBondContact N-O 2.97Å; L400-V421 HydrophobicContact CB-CG2 4.28Å; L400-V421 HydrophobicContact CD2-CB 4.44Å; L400-V421 HydrophobicContact CD2-CG1 3.79Å; L400-V421 HydrophobicContact CD2-CG2 4.17Å; K419-V421 HydrophobicContact CB-CG2 4.28Å; K419-V421 WeakPolarHBondContact O-CG2 3.34Å; K419-V421 PolarHBondContact O-N 3.14Å
422	P	92.6	Very high	90.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	153.3	166.2	34.9	-37.6	0	0	0	110.8	F107 V108 A109 A133 Y432	F107-P422 VanDerWaalsContact O-CD 3.25Å; F107-P422 WeakPolarHBondContact O-CD 3.49Å; F107-P422 WeakPolarHBondContact O-CG 3.36Å; V108-P422 WeakPolarHBondContact CA-O 3.23Å; V108-P422 WeakPolarHBondContact CG1-O 3.16Å; V108-P422 HydrophobicContact CG2-CG 4.22Å; A109-P422 PolarHBondContact N-O 3.44Å; A133-P422 WeakPolarHBondContact O-CA 3.26Å; P422-Y432 HydrophobicContact CB-CD1 4.15Å; P422-Y432 HydrophobicContact CB-CE1 4.14Å; P422-Y432 HydrophobicContact CB-CG 4.46Å; P422-Y432 HydrophobicContact CG-CD1 3.92Å; P422-Y432 HydrophobicContact CG-CE1 3.56Å
423	Y	92.1	Very high	90	Very high	22 Å²	22	18.3 Å²	18.3	9%	0.086	11%	0.109	C	C	.	.			trans	-144.4	170.7	176.8	67.6	-86.7	0	0	0	109.7	I116 L132 V134 P135 C159 M162 T429	I116-Y423 HydrophobicContact CD1-CD2 3.65Å; I116-Y423 HydrophobicContact CD1-CG 3.94Å; L132-Y423 HydrophobicContact CB-CD1 4.23Å; L132-Y423 HydrophobicContact CB-CE1 4.03Å; L132-Y423 HydrophobicContact CD1-CD1 4.47Å; L132-Y423 HydrophobicContact CD1-CE1 4.35Å; L132-Y423 HydrophobicContact CD2-CD1 4.07Å; L132-Y423 HydrophobicContact CG-CD1 4.49Å; V134-Y423 HydrophobicContact CG2-CE1 4.48Å; P135-Y423 WeakPolarHBondContact CD-O 3.35Å; P135-Y423 VanDerWaalsContact CG-O 3.28Å; P135-Y423 WeakPolarHBondContact CG-O 3.27Å; C159-Y423 WeakPolarHBondContact CB-OH 3.45Å; M162-Y423 HydrophobicContact CE-CD2 4.24Å; M162-Y423 HydrophobicContact CE-CE1 4.48Å; M162-Y423 HydrophobicContact CE-CE2 3.61Å; Y423-T429 WeakPolarHBondContact O-CG2 3.35Å
424	G	91.6	Very high	89.4	Confident	10 Å²	10	16.4 Å²	16.4	10%	0.103	10%	0.101	C	C	.	.	S	Bend	trans	107.7	-172.8	-177.1	0	0	0	0	0	112.7	Y104 G110 E111	Y104-G424 PolarHBondContact OH-O 3.23Å; G110-G424 PolarHBondContact O-N 3.13Å; E111-G424 WeakPolarHBondContact CA-O 3.38Å
425	S	89.2	Confident	88.5	Confident	24 Å²	24	16.5 Å²	16.5	17%	0.168	9%	0.089	C	C	.	.			trans	-70.6	168.5	-170.7	80.1	0	0	0	0	113.1	E111 D427 D428 T429	E111-S425 WeakPolarHBondContact OE1-CA 3.47Å; E111-S425 WeakPolarHBondContact OE1-CB 3.38Å; S425-D427 PolarHBondContact O-N 2.99Å; S425-D427 PolarHBondContact OG-N 2.97Å; S425-D428 WeakPolarHBondContact CA-OD2 3.42Å; S425-D428 WeakPolarHBondContact CB-OD2 3.19Å; S425-D428 PolarHBondContact N-OD2 3.13Å; S425-D428 PolarHBondContact O-N 3.29Å; S425-D428 PolarHBondContact OG-N 3.48Å; S425-D428 PolarHBondContact OG-OD1 3.33Å; S425-D428 PolarHBondContact OG-OD2 2.98Å; S425-T429 WeakPolarHBondContact O-CB 3.34Å; S425-T429 WeakPolarHBondContact O-CG2 3.29Å; S425-T429 PolarHBondContact O-N 2.86Å; S425-T429 PolarHBondContact O-OG1 2.86Å
426	V	86.3	Confident	87.5	Confident	4 Å²	4	17.9 Å²	17.9	2%	0.024	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-32.3	171.2	164.8	0	0	0	0	111.9	F95 L99 R100 Y104 L430	F95-V426 HydrophobicContact CD1-CG1 4.2Å; F95-V426 HydrophobicContact CE1-CG1 4.05Å; L99-V426 HydrophobicContact CD2-CG1 3.86Å; R100-V426 HydrophobicContact CG-CG2 3.89Å; Y104-V426 HydrophobicContact CD2-CG2 3.73Å; Y104-V426 HydrophobicContact CE2-CG2 3.93Å; Y104-V426 HydrophobicContact CG-CG2 4.21Å; V426-L430 WeakPolarHBondContact O-CB 3.4Å; V426-L430 PolarHBondContact O-N 3.22Å
427	D	83.2	Confident	86.5	Confident	39 Å²	39	19 Å²	19	21%	0.209	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-44.7	-179.8	-78	-19.7	0	0	0	110.9	R87 R92 S425 T429 L430	R87-D427 IonicContact CZ-OD1 3.24Å; R87-D427 IonicContact CZ-OD2 3.71Å; R87-D427 IonicContact NE-OD1 3.83Å; R87-D427 PolarHBondContact NE-OD1 2.91Å; R87-D427 IonicContact NH2-OD1 3.97Å; R87-D427 PolarHBondContact NH2-OD1 3.12Å; R87-D427 IonicContact NH2-OD2 2.68Å; R87-D427 PolarHBondContact NH2-OD2 3.48Å; R92-D427 WeakPolarHBondContact CD-OD2 3.45Å; R92-D427 IonicContact CZ-OD2 2.94Å; R92-D427 IonicContact NE-OD2 2.74Å; R92-D427 IonicContact NH1-OD2 3.3Å; R92-D427 PolarHBondContact NH1-OD2 3.14Å; S425-D427 PolarHBondContact O-N 2.99Å; S425-D427 PolarHBondContact OG-N 2.97Å; D427-T429 PolarHBondContact O-N 2.95Å; D427-L430 PolarHBondContact O-N 3.28Å
428	D	83	Confident	85.2	Confident	71 Å²	71	22.5 Å²	22.5	38%	0.38	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-40.2	-179.6	-42.5	-46	0	0	0	111.9	P135 L140 S425 L430 P431	P135-D428 HydrophobicContact CG-CB 4.13Å; L140-D428 WeakPolarHBondContact CD1-O 3.39Å; S425-D428 WeakPolarHBondContact CA-OD2 3.42Å; S425-D428 WeakPolarHBondContact CB-OD2 3.19Å; S425-D428 PolarHBondContact N-OD2 3.13Å; S425-D428 PolarHBondContact O-N 3.29Å; S425-D428 PolarHBondContact OG-N 3.48Å; S425-D428 PolarHBondContact OG-OD1 3.33Å; S425-D428 PolarHBondContact OG-OD2 2.98Å; D428-L430 VanDerWaalsContact C-N 3.33Å; D428-L430 PolarHBondContact O-N 2.62Å; D428-P431 WeakPolarHBondContact O-CD 3.48Å
429	T	86.5	Confident	83.6	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-8.8	-176.4	58.2	0	0	0	0	113.4	V108 P135 Y423 S425 D427 Y432 L433	V108-T429 HydrophobicContact CG1-CG2 3.89Å; V108-T429 HydrophobicContact CG2-CG2 4.33Å; P135-T429 HydrophobicContact CB-CG2 4.09Å; P135-T429 HydrophobicContact CG-CG2 4.27Å; Y423-T429 WeakPolarHBondContact O-CG2 3.35Å; S425-T429 WeakPolarHBondContact O-CB 3.34Å; S425-T429 WeakPolarHBondContact O-CG2 3.29Å; S425-T429 PolarHBondContact O-N 2.86Å; S425-T429 PolarHBondContact O-OG1 2.86Å; D427-T429 PolarHBondContact O-N 2.95Å; T429-Y432 PolarHBondContact O-N 3.46Å; T429-L433 WeakPolarHBondContact O-CG 3.07Å; T429-L433 PolarHBondContact O-N 3.45Å
430	L	83.6	Confident	81.9	Confident	22 Å²	22	25.3 Å²	25.3	12%	0.115	13%	0.134	C	C	.	.	H	α-helix	trans	-61.9	-44.5	-174.6	-161.7	64.4	0	0	0	113.9	M83 F95 L99 V426 D427 D428 Y432 L433 V434	M83-L430 HydrophobicContact CE-CD1 4.39Å; M83-L430 HydrophobicContact CG-CD1 4.44Å; M83-L430 HydrophobicContact SD-CD1 3.67Å; M83-L430 HydrophobicContact SD-CG 4.34Å; F95-L430 HydrophobicContact CE1-CD1 4.19Å; F95-L430 HydrophobicContact CE1-CD2 4.25Å; F95-L430 HydrophobicContact CZ-CD1 4.13Å; F95-L430 HydrophobicContact CZ-CD2 4.45Å; L99-L430 HydrophobicContact CD2-CD1 3.95Å; V426-L430 WeakPolarHBondContact O-CB 3.4Å; V426-L430 PolarHBondContact O-N 3.22Å; D427-L430 PolarHBondContact O-N 3.28Å; D428-L430 VanDerWaalsContact C-N 3.33Å; D428-L430 PolarHBondContact O-N 2.62Å; L430-Y432 PolarHBondContact O-N 3.14Å; L430-L433 PolarHBondContact O-N 2.99Å; L430-V434 WeakPolarHBondContact O-CG2 3.46Å; L430-V434 PolarHBondContact O-N 3.05Å
431	P	81.6	Confident	80.3	Confident	37 Å²	37	30.3 Å²	30.3	24%	0.24	15%	0.153	C	C	.	.	H	α-helix	trans	-65.8	-38.3	179.6	-22.4	36.7	0	0	0	112.2	E137 L140 D428 L433 V434 R435	E137-P431 HydrophobicContact CB-CB 4.42Å; E137-P431 HydrophobicContact CG-CB 4.26Å; L140-P431 HydrophobicContact CD1-CG 4.07Å; L140-P431 HydrophobicContact CD2-CG 3.79Å; L140-P431 HydrophobicContact CG-CG 3.92Å; D428-P431 WeakPolarHBondContact O-CD 3.48Å; P431-L433 PolarHBondContact O-N 2.93Å; P431-V434 PolarHBondContact O-N 2.92Å; P431-R435 WeakPolarHBondContact O-CB 3.42Å; P431-R435 PolarHBondContact O-N 3.28Å
432	Y	81.3	Confident	78.2	Confident	17 Å²	17	34.1 Å²	34.1	7%	0.067	18%	0.176	C	C	.	.	H	α-helix	trans	-58.5	-46.3	171.7	174.7	-82.9	0	0	0	111.2	P422 T429 L430 R435 R436	P422-Y432 HydrophobicContact CB-CD1 4.15Å; P422-Y432 HydrophobicContact CB-CE1 4.14Å; P422-Y432 HydrophobicContact CB-CG 4.46Å; P422-Y432 HydrophobicContact CG-CD1 3.92Å; P422-Y432 HydrophobicContact CG-CE1 3.56Å; T429-Y432 PolarHBondContact O-N 3.46Å; L430-Y432 PolarHBondContact O-N 3.14Å; Y432-R435 PolarHBondContact O-N 3.27Å; Y432-R436 HydrophobicContact CD1-CG 4.07Å; Y432-R436 HydrophobicContact CE1-CG 3.56Å; Y432-R436 HydrophobicContact CE2-CG 4.22Å; Y432-R436 WeakPolarHBondContact O-CB 3.2Å; Y432-R436 WeakPolarHBondContact O-CG 3.35Å; Y432-R436 PolarHBondContact O-N 2.99Å
433	L	81.5	Confident	76.2	Confident	7 Å²	7	35.5 Å²	35.5	4%	0.037	18%	0.184	C	C	.	.	H	α-helix	trans	-65.3	-41.5	178.9	-68.4	173.5	0	0	0	112.4	I103 F107 V108 T429 L430 P431 R436 A437	I103-L433 HydrophobicContact CG2-CD1 4.48Å; I103-L433 HydrophobicContact CG2-CD2 4.42Å; F107-L433 HydrophobicContact CB-CD2 3.51Å; F107-L433 HydrophobicContact CD2-CD2 4.16Å; F107-L433 HydrophobicContact CG-CD2 4.17Å; V108-L433 HydrophobicContact CG2-CD1 4.14Å; V108-L433 HydrophobicContact CG2-CD2 4.06Å; V108-L433 HydrophobicContact CG2-CG 4.38Å; T429-L433 WeakPolarHBondContact O-CG 3.07Å; T429-L433 PolarHBondContact O-N 3.45Å; L430-L433 PolarHBondContact O-N 2.99Å; P431-L433 PolarHBondContact O-N 2.93Å; L433-R436 PolarHBondContact O-N 3.47Å; L433-A437 WeakPolarHBondContact O-CB 3.42Å; L433-A437 PolarHBondContact O-N 2.87Å
434	V	79.9	Confident	74.3	Confident	24 Å²	24	36.8 Å²	36.8	15%	0.145	19%	0.192	C	C	.	.	H	α-helix	trans	-61.2	-48.1	174.1	167.6	0	0	0	0	110.7	M83 L430 P431 R436 A437 Q438	M83-V434 HydrophobicContact SD-CG2 3.53Å; M83-V434 VanDerWaalsContact SD-CG2 3.53Å; L430-V434 WeakPolarHBondContact O-CG2 3.46Å; L430-V434 PolarHBondContact O-N 3.05Å; P431-V434 PolarHBondContact O-N 2.92Å; V434-R436 PolarHBondContact O-N 3.44Å; V434-A437 WeakPolarHBondContact O-CB 3.27Å; V434-A437 PolarHBondContact O-N 2.93Å; V434-Q438 WeakPolarHBondContact O-CG 3.4Å; V434-Q438 PolarHBondContact O-N 2.94Å
435	R	75.6	Confident	72.6	Confident	41 Å²	41	43.9 Å²	43.9	16%	0.155	22%	0.223	C	C	.	.	H	α-helix	trans	-60.7	-46.9	178	-176.1	173	73.6	-176.8	0.7	111.4	E137 Y315 P431 Y432 A437 Q438 E439	E137-R435 VanDerWaalsContact CD-CZ 3.46Å; E137-R435 IonicContact OE1-CZ 3.18Å; E137-R435 IonicContact OE1-NE 3.23Å; E137-R435 IonicContact OE1-NH1 3.92Å; E137-R435 PolarHBondContact OE1-NH1 3.01Å; E137-R435 IonicContact OE1-NH2 2.96Å; E137-R435 PolarHBondContact OE1-NH2 3.2Å; E137-R435 IonicContact OE2-CZ 3.67Å; E137-R435 IonicContact OE2-NH1 2.63Å; E137-R435 PolarHBondContact OE2-NH1 2.99Å; E137-R435 IonicContact OE2-NH2 2.7Å; E137-R435 PolarHBondContact OE2-NH2 3.05Å; Y315-R435 PolarHBondContact OH-NH1 3.34Å; P431-R435 WeakPolarHBondContact O-CB 3.42Å; P431-R435 PolarHBondContact O-N 3.28Å; Y432-R435 PolarHBondContact O-N 3.27Å; R435-A437 VanDerWaalsContact C-N 3.3Å; R435-A437 PolarHBondContact O-N 3.23Å; R435-Q438 PolarHBondContact O-N 2.89Å; R435-E439 WeakPolarHBondContact CD-OE1 3.36Å; R435-E439 HydrophobicContact CG-CG 4.04Å; R435-E439 WeakPolarHBondContact CG-OE1 3.26Å; R435-E439 IonicContact NE-OE1 2.83Å; R435-E439 WeakPolarHBondContact O-CB 3.44Å; R435-E439 WeakPolarHBondContact O-CG 3.39Å; R435-E439 PolarHBondContact O-N 3.22Å
436	R	75.5	Confident	71.1	Confident	39 Å²	39	43.9 Å²	43.9	15%	0.147	23%	0.226	C	C	.	.	H	α-helix	trans	-64.4	-30	175.6	-71.4	-60.4	100.6	85.6	-7	113.1	Y432 L433 V434 E439 N440	Y432-R436 HydrophobicContact CD1-CG 4.07Å; Y432-R436 HydrophobicContact CE1-CG 3.56Å; Y432-R436 HydrophobicContact CE2-CG 4.22Å; Y432-R436 WeakPolarHBondContact O-CB 3.2Å; Y432-R436 WeakPolarHBondContact O-CG 3.35Å; Y432-R436 PolarHBondContact O-N 2.99Å; L433-R436 PolarHBondContact O-N 3.47Å; V434-R436 PolarHBondContact O-N 3.44Å; R436-E439 IonicContact CZ-OE2 2.58Å; R436-E439 IonicContact NE-OE2 3.95Å; R436-E439 PolarHBondContact NE-OE2 3.45Å; R436-E439 IonicContact NH2-OE1 2.72Å; R436-E439 IonicContact NH2-OE2 2.65Å; R436-E439 PolarHBondContact NH2-OE2 3.44Å; R436-N440 VanDerWaalsContact O-CB 3.3Å; R436-N440 WeakPolarHBondContact O-CB 3.38Å; R436-N440 PolarHBondContact O-ND2 3.15Å
437	A	73.9	Confident	70.4	Confident	29 Å²	29	44.2 Å²	44.2	24%	0.24	23%	0.228	C	C	.	.	H	α-helix	trans	-67.4	-46.4	171	0	0	0	0	0	111.3	V76 L433 V434 R435	V76-A437 HydrophobicContact CG1-CB 4.41Å; V76-A437 WeakPolarHBondContact CG1-O 3.14Å; L433-A437 WeakPolarHBondContact O-CB 3.42Å; L433-A437 PolarHBondContact O-N 2.87Å; V434-A437 WeakPolarHBondContact O-CB 3.27Å; V434-A437 PolarHBondContact O-N 2.93Å; R435-A437 VanDerWaalsContact C-N 3.3Å; R435-A437 PolarHBondContact O-N 3.23Å
438	Q	70.8	Confident	70.1	Confident	75 Å²	75	50.1 Å²	50.1	35%	0.35	25%	0.248	S	C	.	.	H	α-helix	trans	-73.1	-41.1	-173.9	-69.8	176.1	-14.2	0	0	114.3	V434 R435 R441	V434-Q438 WeakPolarHBondContact O-CG 3.4Å; V434-Q438 PolarHBondContact O-N 2.94Å; R435-Q438 PolarHBondContact O-N 2.89Å; Q438-R441 WeakPolarHBondContact O-CD 3.39Å; Q438-R441 WeakPolarHBondContact O-CG 3.47Å
439	E	63.2	Low	70.1	Confident	44 Å²	44	49.6 Å²	49.6	21%	0.206	24%	0.242	C	C	.	.	H	α-helix	trans	-72	-35.1	-178.1	-70.3	170.9	169.3	0	0	112.9	R435 R436 R441	R435-E439 WeakPolarHBondContact CD-OE1 3.36Å; R435-E439 HydrophobicContact CG-CG 4.04Å; R435-E439 WeakPolarHBondContact CG-OE1 3.26Å; R435-E439 IonicContact NE-OE1 2.83Å; R435-E439 WeakPolarHBondContact O-CB 3.44Å; R435-E439 WeakPolarHBondContact O-CG 3.39Å; R435-E439 PolarHBondContact O-N 3.22Å; R436-E439 IonicContact CZ-OE2 2.58Å; R436-E439 IonicContact NE-OE2 3.95Å; R436-E439 PolarHBondContact NE-OE2 3.45Å; R436-E439 IonicContact NH2-OE1 2.72Å; R436-E439 IonicContact NH2-OE2 2.65Å; R436-E439 PolarHBondContact NH2-OE2 3.44Å; E439-R441 PolarHBondContact O-N 3.25Å
440	N	61.9	Low	70.2	Confident	21 Å²	21	49.6 Å²	49.6	11%	0.112	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	19	-171.7	-80.3	-53.7	0	0	0	114.7	M402 R436 T442 V443 L444	M402-N440 HydrophobicContact CE-CB 3.97Å; M402-N440 VanDerWaalsContact CE-CG 3.45Å; M402-N440 PolarHBondContact SD-ND2 2.88Å; M402-N440 VanDerWaalsContact SD-ND2 3.41Å; R436-N440 VanDerWaalsContact O-CB 3.3Å; R436-N440 WeakPolarHBondContact O-CB 3.38Å; R436-N440 PolarHBondContact O-ND2 3.15Å; N440-T442 PolarHBondContact O-N 3.49Å; N440-V443 HydrophobicContact CB-CB 4.05Å; N440-V443 HydrophobicContact CB-CG2 4.48Å; N440-V443 CarbonylContact O-C 3.58Å; N440-V443 WeakPolarHBondContact O-CA 3.45Å; N440-V443 PolarHBondContact O-N 3.25Å; N440-V443 WeakPolarHBondContact OD1-CB 3.08Å; N440-V443 WeakPolarHBondContact OD1-CG2 3.48Å; N440-L444 PolarHBondContact O-N 3.12Å
441	R	59.8	Low	70.4	Confident	111 Å²	111	50.8 Å²	50.8	42%	0.419	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-38.3	174.1	-75.8	167	177.5	161.1	2.1	113.2	N77 D317 Q438 E439 L444	N77-R441 PolarHBondContact OD1-NE 2.87Å; N77-R441 PolarHBondContact OD1-NH2 2.87Å; D317-R441 IonicContact OD1-NH1 3.32Å; D317-R441 IonicContact OD2-CZ 2.62Å; D317-R441 IonicContact OD2-NH1 3.33Å; D317-R441 PolarHBondContact OD2-NH1 3.32Å; Q438-R441 WeakPolarHBondContact O-CD 3.39Å; Q438-R441 WeakPolarHBondContact O-CG 3.47Å; E439-R441 PolarHBondContact O-N 3.25Å; R441-L444 WeakPolarHBondContact O-CB 3.38Å; R441-L444 WeakPolarHBondContact O-CD1 3.34Å; R441-L444 WeakPolarHBondContact O-CG 3.48Å
442	T	48.6	Very low	70.8	Confident	80 Å²	80	51.8 Å²	51.8	49%	0.491	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-38.4	174.2	45.2	0	0	0	0	112	N440 L444 Q445	N440-T442 PolarHBondContact O-N 3.49Å; T442-L444 PolarHBondContact O-N 2.71Å; T442-Q445 PolarHBondContact O-N 3.24Å
443	V	51.6	Low	71.3	Confident	29 Å²	29	51.2 Å²	51.2	18%	0.176	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-11.4	176.9	-170.4	0	0	0	0	112.6	M402 N440 Q445 G446 I447	M402-V443 HydrophobicContact CE-CB 4.12Å; M402-V443 HydrophobicContact CE-CG1 3.51Å; N440-V443 HydrophobicContact CB-CB 4.05Å; N440-V443 HydrophobicContact CB-CG2 4.48Å; N440-V443 CarbonylContact O-C 3.58Å; N440-V443 WeakPolarHBondContact O-CA 3.45Å; N440-V443 PolarHBondContact O-N 3.25Å; N440-V443 WeakPolarHBondContact OD1-CB 3.08Å; N440-V443 WeakPolarHBondContact OD1-CG2 3.48Å; V443-Q445 PolarHBondContact O-N 3.22Å; V443-G446 PolarHBondContact O-N 2.81Å; V443-I447 PolarHBondContact O-N 3.28Å
444	L	52.7	Low	71.9	Confident	48 Å²	48	50.9 Å²	50.9	25%	0.251	24%	0.244	S	C	.	.	H	α-helix	trans	-52.1	-25.1	166.2	-66.6	178.4	0	0	0	113.2	C70 N440 R441 T442 I447 R448	C70-L444 WeakPolarHBondContact O-CD2 3.49Å; N440-L444 PolarHBondContact O-N 3.12Å; R441-L444 WeakPolarHBondContact O-CB 3.38Å; R441-L444 WeakPolarHBondContact O-CD1 3.34Å; R441-L444 WeakPolarHBondContact O-CG 3.48Å; T442-L444 PolarHBondContact O-N 2.71Å; L444-I447 HydrophobicContact CD2-CD1 4.17Å; L444-R448 WeakPolarHBondContact O-CG 3.48Å; L444-R448 PolarHBondContact O-N 2.98Å
445	Q	54.5	Low	72.5	Confident	159 Å²	159	54.5 Å²	54.5	74%	0.743	26%	0.256	S	S	*	.	H	α-helix	trans	-69.2	-46.8	171.4	-64.3	-168.7	7.5	0	0	112.2	T442 V443 I447 R448 K449	T442-Q445 PolarHBondContact O-N 3.24Å; V443-Q445 PolarHBondContact O-N 3.22Å; Q445-I447 VanDerWaalsContact C-N 3.32Å; Q445-I447 PolarHBondContact O-N 3.49Å; Q445-R448 WeakPolarHBondContact O-CB 3.43Å; Q445-R448 PolarHBondContact O-N 3.18Å; Q445-R448 VanDerWaalsContact O-N 3.14Å; Q445-K449 PolarHBondContact O-N 3.47Å
446	G	59	Low	73.3	Confident	24 Å²	24	56.9 Å²	56.9	25%	0.247	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-40.9	174.9	0	0	0	0	0	112.2	V443 R448 K449 E450	V443-G446 PolarHBondContact O-N 2.81Å; G446-R448 VanDerWaalsContact C-N 3.26Å; G446-R448 PolarHBondContact O-N 2.95Å; G446-K449 PolarHBondContact O-N 3.22Å; G446-K449 VanDerWaalsContact O-N 3.14Å; G446-E450 PolarHBondContact O-N 3.45Å
447	I	70.1	Confident	74.3	Confident	12 Å²	12	55.4 Å²	55.4	6%	0.062	26%	0.263	C	S	.	.	H	α-helix	trans	-59.4	-32.9	175.1	-69	166	0	0	0	112	F67 M402 V443 L444 Q445 R451	F67-I447 HydrophobicContact CB-CG2 3.73Å; F67-I447 HydrophobicContact CD1-CG1 4.49Å; F67-I447 HydrophobicContact CD1-CG2 3.88Å; F67-I447 HydrophobicContact CD2-CG2 4.34Å; F67-I447 HydrophobicContact CE1-CG1 4.48Å; F67-I447 HydrophobicContact CG-CG2 3.74Å; M402-I447 HydrophobicContact CE-CD1 3.94Å; M402-I447 HydrophobicContact CE-CG1 4.42Å; V443-I447 PolarHBondContact O-N 3.28Å; L444-I447 HydrophobicContact CD2-CD1 4.17Å; Q445-I447 VanDerWaalsContact C-N 3.32Å; Q445-I447 PolarHBondContact O-N 3.49Å; I447-R451 WeakPolarHBondContact O-CB 3.35Å; I447-R451 PolarHBondContact O-N 3.37Å
448	R	77.2	Confident	75.2	Confident	163 Å²	163	55.3 Å²	55.3	62%	0.615	26%	0.259	S	S	*	.	H	α-helix	trans	-62.7	-51.2	173.6	-70.5	170.7	-174.2	-153.1	1.7	111.1	L444 Q445 G446 R451 D452	L444-R448 WeakPolarHBondContact O-CG 3.48Å; L444-R448 PolarHBondContact O-N 2.98Å; Q445-R448 WeakPolarHBondContact O-CB 3.43Å; Q445-R448 PolarHBondContact O-N 3.18Å; Q445-R448 VanDerWaalsContact O-N 3.14Å; G446-R448 VanDerWaalsContact C-N 3.26Å; G446-R448 PolarHBondContact O-N 2.95Å; R448-R451 PolarHBondContact O-N 3.45Å; R448-D452 WeakPolarHBondContact O-CB 3.47Å; R448-D452 PolarHBondContact O-N 2.86Å; R448-D452 VanDerWaalsContact O-OD2 3.12Å
449	K	84.3	Confident	76.2	Confident	60 Å²	60	58.7 Å²	58.7	26%	0.261	27%	0.268	S	S	.	.	H	α-helix	trans	-62.3	-47.4	179.7	-174.8	176.5	178.1	-178.3	0	111.3	F46 E47 E372 Q445 G446 R451 D452 L453	F46-K449 WeakPolarHBondContact O-CE 3.37Å; E47-K449 IonicContact OE1-NZ 3.86Å; E47-K449 PolarHBondContact OE1-NZ 2.87Å; E372-K449 WeakPolarHBondContact OE1-CD 3.28Å; E372-K449 WeakPolarHBondContact OE1-CE 3.28Å; E372-K449 IonicContact OE1-NZ 3.42Å; E372-K449 PolarHBondContact OE1-NZ 3.45Å; E372-K449 IonicContact OE2-NZ 2.78Å; E372-K449 PolarHBondContact OE2-NZ 3.32Å; Q445-K449 PolarHBondContact O-N 3.47Å; G446-K449 PolarHBondContact O-N 3.22Å; G446-K449 VanDerWaalsContact O-N 3.14Å; K449-R451 PolarHBondContact O-N 2.86Å; K449-D452 PolarHBondContact O-N 3.41Å; K449-D452 VanDerWaalsContact O-N 3.12Å; K449-L453 HydrophobicContact CG-CD1 4.26Å; K449-L453 WeakPolarHBondContact O-CG 3.28Å; K449-L453 PolarHBondContact O-N 2.98Å
450	E	87.8	Confident	77.6	Confident	0 Å²	0	60 Å²	60	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.3	-49.6	177.6	-176.9	170.3	-151.2	0	0	111.9	F52 F67 C403 D404 G446 D452 L453 L454	F52-E450 HydrophobicContact CZ-CG 3.9Å; F67-E450 HydrophobicContact CE2-CB 4.46Å; F67-E450 HydrophobicContact CE2-CG 3.78Å; F67-E450 WeakPolarHBondContact CE2-OE2 3.43Å; F67-E450 HydrophobicContact CZ-CG 4.4Å; F67-E450 VanDerWaalsContact CZ-OE2 3.29Å; F67-E450 WeakPolarHBondContact CZ-OE2 3.26Å; C403-E450 WeakPolarHBondContact CA-OE2 3.31Å; C403-E450 VanDerWaalsContact N-CD 3.28Å; C403-E450 PolarHBondContact N-OE1 3.48Å; C403-E450 PolarHBondContact N-OE2 2.93Å; D404-E450 PolarHBondContact N-OE1 3.18Å; G446-E450 PolarHBondContact O-N 3.45Å; E450-D452 PolarHBondContact O-N 2.94Å; E450-L453 PolarHBondContact O-N 3.1Å; E450-L454 HydrophobicContact CG-CD1 4.09Å; E450-L454 HydrophobicContact CG-CG 4.49Å; E450-L454 WeakPolarHBondContact O-CB 3.39Å; E450-L454 VanDerWaalsContact O-CG 3.29Å; E450-L454 WeakPolarHBondContact O-CG 3.18Å; E450-L454 PolarHBondContact O-N 3.36Å
451	R	87.8	Confident	79.1	Confident	47 Å²	47	61.9 Å²	61.9	18%	0.177	28%	0.28	C	S	.	.	H	α-helix	trans	-56.6	-38.1	174.7	-179	-159.7	68.3	-171.9	-4.2	112.3	L64 F67 I447 R448 K449 R455	L64-R451 HydrophobicContact CD2-CG 3.77Å; L64-R451 WeakPolarHBondContact CD2-O 3.48Å; F67-R451 HydrophobicContact CD2-CB 4.4Å; I447-R451 WeakPolarHBondContact O-CB 3.35Å; I447-R451 PolarHBondContact O-N 3.37Å; R448-R451 PolarHBondContact O-N 3.45Å; K449-R451 PolarHBondContact O-N 2.86Å; R451-R455 WeakPolarHBondContact O-CB 3.44Å; R451-R455 WeakPolarHBondContact O-CD 3.41Å; R451-R455 VanDerWaalsContact O-CG 3.24Å; R451-R455 WeakPolarHBondContact O-CG 3.32Å; R451-R455 PolarHBondContact O-N 3.45Å
452	D	90.6	Very high	80.6	Confident	57 Å²	57	61.3 Å²	61.3	31%	0.305	28%	0.283	S	S	.	.	H	α-helix	trans	-81.2	-23.1	-177.4	-63.7	-26.5	0	0	0	112.7	R448 K449 E450 R455 Q456	R448-D452 WeakPolarHBondContact O-CB 3.47Å; R448-D452 PolarHBondContact O-N 2.86Å; R448-D452 VanDerWaalsContact O-OD2 3.12Å; K449-D452 PolarHBondContact O-N 3.41Å; K449-D452 VanDerWaalsContact O-N 3.12Å; E450-D452 PolarHBondContact O-N 2.94Å; D452-R455 VanDerWaalsContact OD1-CD 3.23Å; D452-R455 WeakPolarHBondContact OD1-CD 3.43Å; D452-R455 IonicContact OD1-CZ 2.96Å; D452-R455 IonicContact OD1-NE 3.57Å; D452-R455 IonicContact OD1-NH1 2.68Å; D452-R455 PolarHBondContact OD1-NH1 3.38Å; D452-Q456 VanDerWaalsContact O-CG 3.32Å; D452-Q456 WeakPolarHBondContact O-CG 3.36Å; D452-Q456 PolarHBondContact O-N 3.01Å; D452-Q456 PolarHBondContact O-NE2 3.07Å
453	L	92	Very high	82.6	Confident	6 Å²	6	65.8 Å²	65.8	3%	0.031	29%	0.291	C	S	.	.	H	α-helix	trans	-73.2	-44.4	164.1	-67.3	169.2	0	0	0	112.1	F46 E47 P49 F52 H405 K449 E450 R455 Q456 E457	F46-L453 WeakPolarHBondContact O-CD1 3.34Å; E47-L453 VanDerWaalsContact O-CD2 3.27Å; E47-L453 WeakPolarHBondContact O-CD2 3.38Å; P49-L453 HydrophobicContact CB-CD2 4.27Å; F52-L453 HydrophobicContact CD2-CB 4.11Å; F52-L453 HydrophobicContact CE2-CB 3.65Å; F52-L453 HydrophobicContact CE2-CD1 4.27Å; H405-L453 HydrophobicContact CB-CD1 3.93Å; K449-L453 HydrophobicContact CG-CD1 4.26Å; K449-L453 WeakPolarHBondContact O-CG 3.28Å; K449-L453 PolarHBondContact O-N 2.98Å; E450-L453 PolarHBondContact O-N 3.1Å; L453-R455 VanDerWaalsContact C-N 3.26Å; L453-R455 PolarHBondContact O-N 3.28Å; L453-Q456 WeakPolarHBondContact O-CA 3.33Å; L453-Q456 WeakPolarHBondContact O-CB 3.42Å; L453-Q456 PolarHBondContact O-N 2.93Å; L453-E457 PolarHBondContact O-N 3.48Å
454	L	92.5	Very high	84.3	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-56.7	-40.4	173.7	-73.4	168.4	0	0	0	111.5	F52 L60 A63 L64 F67 E450 L458	F52-L454 HydrophobicContact CB-CD2 4.41Å; F52-L454 HydrophobicContact CD1-CD2 3.46Å; F52-L454 VanDerWaalsContact CD1-CD2 3.46Å; F52-L454 HydrophobicContact CD1-CG 4.35Å; F52-L454 HydrophobicContact CD2-CD2 4.22Å; F52-L454 HydrophobicContact CD2-CG 4.5Å; F52-L454 HydrophobicContact CE1-CD2 3.68Å; F52-L454 HydrophobicContact CE1-CG 4.19Å; F52-L454 HydrophobicContact CE2-CD2 4.4Å; F52-L454 HydrophobicContact CE2-CG 4.35Å; F52-L454 HydrophobicContact CG-CD2 3.75Å; F52-L454 HydrophobicContact CZ-CD2 4.16Å; F52-L454 HydrophobicContact CZ-CG 4.2Å; L60-L454 HydrophobicContact CD2-CD2 3.41Å; L60-L454 VanDerWaalsContact CD2-CD2 3.41Å; A63-L454 HydrophobicContact CB-CD1 3.81Å; L64-L454 HydrophobicContact CD2-CB 3.7Å; L64-L454 HydrophobicContact CD2-CD1 4.37Å; L64-L454 HydrophobicContact CG-CB 4.05Å; F67-L454 HydrophobicContact CD2-CD1 3.9Å; F67-L454 HydrophobicContact CE2-CD1 3.7Å; E450-L454 HydrophobicContact CG-CD1 4.09Å; E450-L454 HydrophobicContact CG-CG 4.49Å; E450-L454 WeakPolarHBondContact O-CB 3.39Å; E450-L454 VanDerWaalsContact O-CG 3.29Å; E450-L454 WeakPolarHBondContact O-CG 3.18Å; E450-L454 PolarHBondContact O-N 3.36Å; L454-L458 WeakPolarHBondContact O-CB 3.24Å; L454-L458 PolarHBondContact O-N 3.01Å
455	R	93.3	Very high	85.9	Confident	100 Å²	100	74.7 Å²	74.7	38%	0.377	33%	0.332	S	S	.	.	H	α-helix	trans	-62.7	-37.1	172.2	-77.7	159.9	170.6	-172.9	-7.5	112.8	L64 R451 D452 L453 R459	L64-R455 HydrophobicContact CD2-CG 3.86Å; R451-R455 WeakPolarHBondContact O-CB 3.44Å; R451-R455 WeakPolarHBondContact O-CD 3.41Å; R451-R455 VanDerWaalsContact O-CG 3.24Å; R451-R455 WeakPolarHBondContact O-CG 3.32Å; R451-R455 PolarHBondContact O-N 3.45Å; D452-R455 VanDerWaalsContact OD1-CD 3.23Å; D452-R455 WeakPolarHBondContact OD1-CD 3.43Å; D452-R455 IonicContact OD1-CZ 2.96Å; D452-R455 IonicContact OD1-NE 3.57Å; D452-R455 IonicContact OD1-NH1 2.68Å; D452-R455 PolarHBondContact OD1-NH1 3.38Å; L453-R455 VanDerWaalsContact C-N 3.26Å; L453-R455 PolarHBondContact O-N 3.28Å; R455-R459 WeakPolarHBondContact O-CB 3.48Å; R455-R459 WeakPolarHBondContact O-CD 3.42Å; R455-R459 WeakPolarHBondContact O-CG 3.37Å; R455-R459 PolarHBondContact O-N 3.05Å
456	Q	93.3	Very high	87	Confident	90 Å²	90	73.6 Å²	73.6	42%	0.421	33%	0.329	S	S	.	.	H	α-helix	trans	-69.2	-46.2	177.8	-74.5	171	70.3	0	0	111.8	P49 D452 L453 R459 H460	P49-Q456 HydrophobicContact CB-CB 3.95Å; P49-Q456 HydrophobicContact CG-CB 4.14Å; D452-Q456 VanDerWaalsContact O-CG 3.32Å; D452-Q456 WeakPolarHBondContact O-CG 3.36Å; D452-Q456 PolarHBondContact O-N 3.01Å; D452-Q456 PolarHBondContact O-NE2 3.07Å; L453-Q456 WeakPolarHBondContact O-CA 3.33Å; L453-Q456 WeakPolarHBondContact O-CB 3.42Å; L453-Q456 PolarHBondContact O-N 2.93Å; Q456-R459 PolarHBondContact O-N 3.37Å; Q456-H460 WeakPolarHBondContact O-CB 3.39Å; Q456-H460 PolarHBondContact O-N 3Å
457	E	94.8	Very high	87.9	Confident	8 Å²	8	82.9 Å²	82.9	4%	0.037	36%	0.356	C	S	.	.	H	α-helix	trans	-63.1	-41.5	175.3	172.3	61.8	-178.6	0	0	111.6	P49 F52 R53 L60 L453 R459 H460 R461	P49-E457 HydrophobicContact CB-CB 4.39Å; F52-E457 HydrophobicContact CB-CB 4.15Å; F52-E457 HydrophobicContact CB-CG 3.95Å; R53-E457 WeakPolarHBondContact CG-OE1 3.23Å; L60-E457 HydrophobicContact CD1-CG 4.04Å; L453-E457 PolarHBondContact O-N 3.48Å; E457-R459 PolarHBondContact O-N 3.05Å; E457-H460 WeakPolarHBondContact O-CB 3.22Å; E457-H460 PolarHBondContact O-N 3.06Å; E457-H460 VanDerWaalsContact O-N 3.13Å; E457-H460 IonicContact OE2-CD2 2.71Å; E457-R461 WeakPolarHBondContact O-CG 3.44Å; E457-R461 PolarHBondContact O-N 3.47Å; E457-R461 IonicContact OE1-CZ 2.62Å; E457-R461 VanDerWaalsContact OE1-CZ 3.23Å; E457-R461 IonicContact OE1-NE 3.91Å; E457-R461 PolarHBondContact OE1-NE 3.3Å; E457-R461 IonicContact OE1-NH2 3.4Å; E457-R461 PolarHBondContact OE1-NH2 2.68Å
458	L	93.4	Very high	87.3	Confident	28 Å²	28	85.6 Å²	85.6	15%	0.147	39%	0.388	C	S	.	.	H	α-helix	trans	-60.2	-44.5	174.7	-177.1	61.5	0	0	0	111.9	L57 L61 L64 L454 H460 R461 M462	L57-L458 HydrophobicContact CD1-CD1 3.47Å; L57-L458 VanDerWaalsContact CD1-CD1 3.47Å; L61-L458 HydrophobicContact CD2-CD2 4.1Å; L64-L458 HydrophobicContact CD1-CD2 3.73Å; L454-L458 WeakPolarHBondContact O-CB 3.24Å; L454-L458 PolarHBondContact O-N 3.01Å; L458-H460 VanDerWaalsContact C-N 3.33Å; L458-H460 PolarHBondContact O-N 3.14Å; L458-R461 PolarHBondContact O-N 2.61Å; L458-M462 HydrophobicContact CG-CE 4.25Å; L458-M462 WeakPolarHBondContact O-CG 3.46Å; L458-M462 PolarHBondContact O-N 3.12Å
459	R	93	Very high	86.1	Confident	145 Å²	145	81 Å²	81	55%	0.547	39%	0.391	S	S	.	.	H	α-helix	trans	-62.6	-37.7	173.1	-71.8	165.8	-178	176	0.3	112.3	R455 Q456 E457 M462 R463	R455-R459 WeakPolarHBondContact O-CB 3.48Å; R455-R459 WeakPolarHBondContact O-CD 3.42Å; R455-R459 WeakPolarHBondContact O-CG 3.37Å; R455-R459 PolarHBondContact O-N 3.05Å; Q456-R459 PolarHBondContact O-N 3.37Å; E457-R459 PolarHBondContact O-N 3.05Å; R459-M462 HydrophobicContact CG-CE 4.25Å; R459-R463 WeakPolarHBondContact O-CB 3.42Å; R459-R463 VanDerWaalsContact O-CG 3.28Å; R459-R463 WeakPolarHBondContact O-CG 3.39Å; R459-R463 PolarHBondContact O-N 3.46Å
460	H	91.8	Very high	83.8	Confident	73 Å²	73	86.4 Å²	86.4	34%	0.338	44%	0.436	S	S	.	.	H	α-helix	trans	-63.7	-44.6	176.8	-177.4	85.5	0	0	0	111.3	Q456 E457 L458 R463 R464	Q456-H460 WeakPolarHBondContact O-CB 3.39Å; Q456-H460 PolarHBondContact O-N 3Å; E457-H460 WeakPolarHBondContact O-CB 3.22Å; E457-H460 PolarHBondContact O-N 3.06Å; E457-H460 VanDerWaalsContact O-N 3.13Å; E457-H460 IonicContact OE2-CD2 2.71Å; L458-H460 VanDerWaalsContact C-N 3.33Å; L458-H460 PolarHBondContact O-N 3.14Å; H460-R463 PolarHBondContact O-N 3.33Å; H460-R464 WeakPolarHBondContact NE2-CD 3.47Å; H460-R464 WeakPolarHBondContact O-CG 3.34Å; H460-R464 PolarHBondContact O-N 3.27Å
461	R	93.3	Very high	83.7	Confident	60 Å²	60	90.8 Å²	90.8	23%	0.226	46%	0.458	C	S	.	.	H	α-helix	trans	-61.2	-49.3	175.2	-69	179.1	-171.6	-159.8	4.6	112.5	F52 R53 K55 E457 L458 R463 R464 S465	F52-R461 PolarHBondContact O-NH2 3.22Å; R53-R461 PolarHBondContact O-NH2 3.49Å; R53-R461 VanDerWaalsContact O-NH2 3.16Å; K55-R461 VanDerWaalsContact O-CZ 3.28Å; K55-R461 PolarHBondContact O-NH1 3.46Å; K55-R461 PolarHBondContact O-NH2 3.18Å; E457-R461 WeakPolarHBondContact O-CG 3.44Å; E457-R461 PolarHBondContact O-N 3.47Å; E457-R461 IonicContact OE1-CZ 2.62Å; E457-R461 VanDerWaalsContact OE1-CZ 3.23Å; E457-R461 IonicContact OE1-NE 3.91Å; E457-R461 PolarHBondContact OE1-NE 3.3Å; E457-R461 IonicContact OE1-NH2 3.4Å; E457-R461 PolarHBondContact OE1-NH2 2.68Å; L458-R461 PolarHBondContact O-N 2.61Å; R461-R463 VanDerWaalsContact C-N 3.34Å; R461-R463 PolarHBondContact O-N 2.99Å; R461-R464 PolarHBondContact O-N 3.02Å; R461-R464 VanDerWaalsContact O-N 3.14Å; R461-S465 PolarHBondContact O-N 3.3Å
462	M	91.3	Very high	83.4	Confident	99 Å²	99	93.1 Å²	93.1	49%	0.488	47%	0.473	S	S	.	.	H	α-helix	trans	-58.5	-45.2	176.9	-67.8	-174.8	-63.5	0	0	111.7	L458 R459 R464 S465 M466	L458-M462 HydrophobicContact CG-CE 4.25Å; L458-M462 WeakPolarHBondContact O-CG 3.46Å; L458-M462 PolarHBondContact O-N 3.12Å; R459-M462 HydrophobicContact CG-CE 4.25Å; M462-R464 VanDerWaalsContact C-N 3.31Å; M462-R464 PolarHBondContact O-N 3.21Å; M462-S465 PolarHBondContact O-N 2.87Å; M462-M466 WeakPolarHBondContact O-CG 3.23Å; M462-M466 PolarHBondContact O-N 3.44Å
463	R	91.1	Very high	83	Confident	174 Å²	174	95.1 Å²	95.1	66%	0.657	48%	0.482	S	S	*	.	H	α-helix	trans	-62.6	-32.3	176.5	-75.9	174.1	174.8	-174.8	-2.6	113.7	R459 H460 R461 M466 R467	R459-R463 WeakPolarHBondContact O-CB 3.42Å; R459-R463 VanDerWaalsContact O-CG 3.28Å; R459-R463 WeakPolarHBondContact O-CG 3.39Å; R459-R463 PolarHBondContact O-N 3.46Å; H460-R463 PolarHBondContact O-N 3.33Å; R461-R463 VanDerWaalsContact C-N 3.34Å; R461-R463 PolarHBondContact O-N 2.99Å; R463-M466 HydrophobicContact CG-CE 4.38Å; R463-R467 WeakPolarHBondContact O-CB 3.38Å; R463-R467 WeakPolarHBondContact O-CG 3.42Å; R463-R467 PolarHBondContact O-N 2.98Å
464	R	87.6	Confident	82.5	Confident	169 Å²	169	100.3 Å²	100.3	64%	0.638	51%	0.509	S	S	*	.	H	α-helix	trans	-73.2	-43.3	173.5	-75.2	-179.6	65.2	172.1	0.3	111.7	H460 R461 M462 M466 R467 G468	H460-R464 WeakPolarHBondContact NE2-CD 3.47Å; H460-R464 WeakPolarHBondContact O-CG 3.34Å; H460-R464 PolarHBondContact O-N 3.27Å; R461-R464 PolarHBondContact O-N 3.02Å; R461-R464 VanDerWaalsContact O-N 3.14Å; M462-R464 VanDerWaalsContact C-N 3.31Å; M462-R464 PolarHBondContact O-N 3.21Å; R464-M466 VanDerWaalsContact C-N 3.32Å; R464-M466 PolarHBondContact O-N 3.15Å; R464-R467 PolarHBondContact O-N 3.44Å; R464-G468 PolarHBondContact O-N 3.26Å
465	S	85	Confident	81.9	Confident	94 Å²	94	106.6 Å²	106.6	66%	0.657	54%	0.541	S	S	*	.	H	α-helix	trans	-58.4	-42.4	176.5	-157.7	0	0	0	0	112.1	R461 M462 R467	R461-S465 PolarHBondContact O-N 3.3Å; M462-S465 PolarHBondContact O-N 2.87Å; S465-R467 VanDerWaalsContact C-N 3.26Å; S465-R467 PolarHBondContact O-N 2.91Å
466	M	78.8	Confident	81.1	Confident	137 Å²	137	107 Å²	107	68%	0.675	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-11.1	176.6	-65.9	-176.9	-64.1	0	0	114.6	M462 R463 R464	M462-M466 WeakPolarHBondContact O-CG 3.23Å; M462-M466 PolarHBondContact O-N 3.44Å; R463-M466 HydrophobicContact CG-CE 4.38Å; R464-M466 VanDerWaalsContact C-N 3.32Å; R464-M466 PolarHBondContact O-N 3.15Å
467	R	77.5	Confident	80.2	Confident	218 Å²	218	108.2 Å²	108.2	82%	0.823	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.5	-11.5	179.6	-75.8	-178.1	173.2	-160.4	-3.2	114.1	R463 R464 S465	R463-R467 WeakPolarHBondContact O-CB 3.38Å; R463-R467 WeakPolarHBondContact O-CG 3.42Å; R463-R467 PolarHBondContact O-N 2.98Å; R464-R467 PolarHBondContact O-N 3.44Å; S465-R467 VanDerWaalsContact C-N 3.26Å; S465-R467 PolarHBondContact O-N 2.91Å
468	G	57.1	Low	79.1	Confident	70 Å²	70	115.9 Å²	115.9	72%	0.722	60%	0.601	S	S	*	*	S	Bend	trans	-105.2	14.3	174.8	0	0	0	0	0	113.5	R464	R464-G468 PolarHBondContact O-N 3.26Å
469	G	51	Low	77.9	Confident	67 Å²	67	123.3 Å²	123.3	69%	0.691	64%	0.639	S	S	*	*			trans	-120.1	46.4	175.2	0	0	0	0	0	110.9
470	S	37.8	Very low	76.6	Confident	173 Å²	173	121.3 Å²	121.3	100%	1.21	65%	0.648	S	S	*	*			trans	-148.5	0	179.1	-59.2	0	0	0	0	108.7

Retrieved 470 of 470 residues in 276.8 ms (Link to these results)

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