A0A087YEK1_POEFO Loading...

Retinol dehydrogenase 5 (11-cis/9-cis)

AlphaFold DB , UniProt , Accession A0A087YEK1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 348 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.3	Very low	39.6	Very low	235 Å²	235	188.6 Å²	188.6	100%	1.158	86%	0.863	S	S	*	*				0	110.4	0	-162.8	177.7	-80.3	0	0	105.9
2	F	40.7	Very low	39.9	Very low	180 Å²	180	183.5 Å²	183.5	79%	0.789	86%	0.856	S	S	*	*			trans	39.8	120.3	162.6	-78.3	-95.5	0	0	0	120
3	F	37	Very low	40.4	Very low	215 Å²	215	178.6 Å²	178.6	94%	0.943	85%	0.85	S	S	*	*				-160.1	138.4	106.8	-107.9	-77.5	0	0	0	111.5
4	E	43.5	Very low	41.2	Very low	145 Å²	145	180.1 Å²	180.1	68%	0.678	86%	0.856	S	S	*	*			trans	-97.8	164.6	-168.2	-150.6	-168.6	-140.8	0	0	110.8
5	Q	40.8	Very low	42	Very low	158 Å²	158	172.3 Å²	172.3	74%	0.738	84%	0.842	S	S	*	*			trans	82.8	88.6	158.5	-62.5	178.2	12.7	0	0	119.7
6	F	37.9	Very low	42.6	Very low	211 Å²	211	169.3 Å²	169.3	93%	0.925	83%	0.831	S	S	*	*			trans	-104	107.1	143.3	-97.6	-89.2	0	0	0	109.1
7	R	39.6	Very low	43.3	Very low	233 Å²	233	169 Å²	169	88%	0.879	83%	0.83	S	S	*	*			trans	-94.8	93.3	170.5	-162.7	-179.2	-162.9	172.7	4.3	107.8	Q9	R7-Q9 PolarHBondContact O-N 3.41Å
8	V	39.3	Very low	44.4	Very low	132 Å²	132	166.8 Å²	166.8	80%	0.8	82%	0.822	S	S	*	*			trans	-82.2	106.9	167.3	177.3	0	0	0	0	107.4
9	Q	36.6	Very low	45.5	Very low	175 Å²	175	161.6 Å²	161.6	82%	0.818	80%	0.801	S	S	*	*			trans	-78.8	125.7	175.5	-150.9	170	-3.8	0	0	108.5	R7 Q11	R7-Q9 PolarHBondContact O-N 3.41Å; Q9-Q11 PolarHBondContact O-N 3.48Å
10	K	38.9	Very low	46.7	Very low	194 Å²	194	159.2 Å²	159.2	84%	0.843	79%	0.787	S	S	*	*			trans	-42.4	128.7	178.8	-87.9	172.6	164.7	175.7	0	113.1
11	Q	44.8	Very low	48	Very low	197 Å²	197	158.3 Å²	158.3	92%	0.921	78%	0.776	S	S	*	*			trans	-58.8	133.8	153	-87.4	170.7	-40.8	0	0	110	Q9	Q9-Q11 PolarHBondContact O-N 3.48Å
12	T	43.2	Very low	49.4	Very low	127 Å²	127	151.4 Å²	151.4	78%	0.779	74%	0.743	S	S	*	*			trans	-121.7	152.6	159.5	34.1	0	0	0	0	108.8
13	P	46.8	Very low	50.8	Low	120 Å²	120	150.8 Å²	150.8	78%	0.779	74%	0.736	S	S	*	*			trans	-87	136.3	-139.4	30.7	-31.3	0	0	0	114.3	G15	P13-G15 PolarHBondContact O-N 3.34Å
14	E	51.7	Low	52.3	Low	200 Å²	200	146 Å²	146	94%	0.935	72%	0.717	S	S	*	*	S	Bend	trans	-61.3	114	161	-70.4	170.5	157.7	0	0	108.8
15	G	52.5	Low	53.5	Low	63 Å²	63	142.3 Å²	142.3	65%	0.649	70%	0.702	S	S	*	*			trans	179.9	-11	178.6	0	0	0	0	0	117.6	P13	P13-G15 PolarHBondContact O-N 3.34Å
16	N	52.3	Low	54.7	Low	123 Å²	123	138.6 Å²	138.6	66%	0.658	69%	0.686	S	S	*	*	S	Bend	trans	-111	-4.6	-176.7	-102.2	-3	0	0	0	115.3	Q20	N16-Q20 WeakPolarHBondContact O-CB 3.44Å; N16-Q20 PolarHBondContact O-N 3.43Å
17	M	53.5	Low	56.3	Low	165 Å²	165	131 Å²	131	81%	0.813	67%	0.667	S	S	*	*	H	α-helix	trans	-75.3	-34.9	-170.7	-131.9	-177	-49.8	0	0	113	Y21	M17-Y21 VanDerWaalsContact O-CB 3.28Å; M17-Y21 WeakPolarHBondContact O-CB 3.28Å; M17-Y21 PolarHBondContact O-N 3.27Å
18	D	63.8	Low	58.2	Low	130 Å²	130	127.2 Å²	127.2	70%	0.695	66%	0.66	S	S	*	*	H	α-helix	trans	-73.8	-39.7	-178.6	-100.4	-26.2	0	0	0	112.9	I22	D18-I22 WeakPolarHBondContact O-CG1 3.35Å; D18-I22 PolarHBondContact O-N 3.3Å; D18-I22 VanDerWaalsContact O-N 3.13Å
19	T	65.1	Low	60.5	Low	68 Å²	68	123.1 Å²	123.1	42%	0.417	63%	0.633	S	S	.	*	H	α-helix	trans	-73.9	-41.4	-176.4	-29.3	0	0	0	0	110.8	I22 Y23	T19-I22 PolarHBondContact O-N 2.96Å; T19-Y23 HydrophobicContact CG2-CD2 3.98Å; T19-Y23 HydrophobicContact CG2-CE2 3.47Å; T19-Y23 VanDerWaalsContact CG2-CE2 3.47Å; T19-Y23 WeakPolarHBondContact O-CD2 3.49Å; T19-Y23 PolarHBondContact O-N 2.83Å
20	Q	70.1	Confident	63	Low	113 Å²	113	116.4 Å²	116.4	53%	0.528	61%	0.608	S	S	.	*	H	α-helix	trans	-67.5	-38	179.5	-167.2	157.3	-15.6	0	0	112.2	N16 Y23 E24	N16-Q20 WeakPolarHBondContact O-CB 3.44Å; N16-Q20 PolarHBondContact O-N 3.43Å; Q20-Y23 PolarHBondContact O-N 3.13Å; Q20-E24 PolarHBondContact O-N 3.32Å
21	Y	72.7	Confident	65.5	Low	141 Å²	141	110.8 Å²	110.8	55%	0.553	59%	0.593	S	S	*	*	H	α-helix	trans	-63.5	-42.2	172.5	-179.6	-103.6	0	0	0	112.6	M17 E24 L25	M17-Y21 VanDerWaalsContact O-CB 3.28Å; M17-Y21 WeakPolarHBondContact O-CB 3.28Å; M17-Y21 PolarHBondContact O-N 3.27Å; Y21-E24 PolarHBondContact O-N 2.92Å; Y21-L25 VanDerWaalsContact O-CB 3.27Å; Y21-L25 WeakPolarHBondContact O-CB 3.2Å; Y21-L25 PolarHBondContact O-N 3.41Å
22	I	67.6	Low	67.8	Low	90 Å²	90	109.2 Å²	109.2	46%	0.462	58%	0.58	S	S	.	*	H	α-helix	trans	-64.3	-40	174.5	-72.9	-178.8	0	0	0	111.3	D18 T19 L26	D18-I22 WeakPolarHBondContact O-CG1 3.35Å; D18-I22 PolarHBondContact O-N 3.3Å; D18-I22 VanDerWaalsContact O-N 3.13Å; T19-I22 PolarHBondContact O-N 2.96Å; I22-L26 HydrophobicContact CG2-CD1 3.58Å; I22-L26 HydrophobicContact CG2-CG 4.17Å; I22-L26 WeakPolarHBondContact O-CB 3.17Å; I22-L26 WeakPolarHBondContact O-CG 2.99Å; I22-L26 PolarHBondContact O-N 2.85Å
23	Y	68.3	Low	70.1	Confident	166 Å²	166	108.6 Å²	108.6	65%	0.651	56%	0.564	S	S	*	*	H	α-helix	trans	-66.5	-39.3	176.4	-78.1	-63.4	0	0	0	112.9	T19 Q20 G27	T19-Y23 HydrophobicContact CG2-CD2 3.98Å; T19-Y23 HydrophobicContact CG2-CE2 3.47Å; T19-Y23 VanDerWaalsContact CG2-CE2 3.47Å; T19-Y23 WeakPolarHBondContact O-CD2 3.49Å; T19-Y23 PolarHBondContact O-N 2.83Å; Q20-Y23 PolarHBondContact O-N 3.13Å; Y23-G27 PolarHBondContact O-N 3.47Å
24	E	70.4	Confident	72.3	Confident	114 Å²	114	107.4 Å²	107.4	53%	0.533	55%	0.55	S	S	.	*	H	α-helix	trans	-66.6	-46.5	174.3	-77.9	174.4	-179.5	0	0	111.2	Q20 Y21 L26 G27 E28	Q20-E24 PolarHBondContact O-N 3.32Å; Y21-E24 PolarHBondContact O-N 2.92Å; E24-L26 PolarHBondContact O-N 3.17Å; E24-G27 PolarHBondContact O-N 3.45Å; E24-G27 VanDerWaalsContact O-N 3.17Å; E24-E28 WeakPolarHBondContact O-CB 3.44Å; E24-E28 WeakPolarHBondContact O-CG 3.27Å; E24-E28 PolarHBondContact O-N 2.88Å
25	L	67.3	Low	74.4	Confident	68 Å²	68	100.6 Å²	100.6	36%	0.356	53%	0.528	S	S	.	.	H	α-helix	trans	-62.9	-41.4	177.8	-169.8	76.2	0	0	0	112.6	Y21 N29	Y21-L25 VanDerWaalsContact O-CB 3.27Å; Y21-L25 WeakPolarHBondContact O-CB 3.2Å; Y21-L25 PolarHBondContact O-N 3.41Å; L25-N29 WeakPolarHBondContact O-CB 3.21Å; L25-N29 PolarHBondContact O-N 3.19Å; L25-N29 PolarHBondContact O-ND2 2.89Å
26	L	65.5	Low	76.5	Confident	80 Å²	80	100.5 Å²	100.5	42%	0.419	52%	0.521	S	S	.	.	H	α-helix	trans	-69.8	-35	174.7	-73.8	172.1	0	0	0	111.7	I22 E24 A30 Y33	I22-L26 HydrophobicContact CG2-CD1 3.58Å; I22-L26 HydrophobicContact CG2-CG 4.17Å; I22-L26 WeakPolarHBondContact O-CB 3.17Å; I22-L26 WeakPolarHBondContact O-CG 2.99Å; I22-L26 PolarHBondContact O-N 2.85Å; E24-L26 PolarHBondContact O-N 3.17Å; L26-A30 WeakPolarHBondContact O-CA 3.42Å; L26-A30 VanDerWaalsContact O-CB 3.26Å; L26-A30 WeakPolarHBondContact O-CB 3.4Å; L26-A30 PolarHBondContact O-N 2.87Å; L26-Y33 HydrophobicContact CD2-CD2 4.29Å; L26-Y33 HydrophobicContact CD2-CE2 3.82Å
27	G	73.4	Confident	78.5	Confident	51 Å²	51	98.2 Å²	98.2	53%	0.526	52%	0.515	S	S	.	.	H	α-helix	trans	-68.7	-47	177.1	0	0	0	0	0	112.7	Y23 E24 N29 A30	Y23-G27 PolarHBondContact O-N 3.47Å; E24-G27 PolarHBondContact O-N 3.45Å; E24-G27 VanDerWaalsContact O-N 3.17Å; G27-N29 VanDerWaalsContact C-N 3.34Å; G27-N29 PolarHBondContact O-N 3.43Å; G27-A30 WeakPolarHBondContact O-CB 3.26Å; G27-A30 PolarHBondContact O-N 2.99Å
28	E	79.3	Confident	80.6	Confident	154 Å²	154	97 Å²	97	72%	0.72	51%	0.506	S	S	*	.	H	α-helix	trans	-65	-37	177.9	-73.7	-171.6	163.1	0	0	112.2	E24	E24-E28 WeakPolarHBondContact O-CB 3.44Å; E24-E28 WeakPolarHBondContact O-CG 3.27Å; E24-E28 PolarHBondContact O-N 2.88Å
29	N	87.4	Confident	82.2	Confident	46 Å²	46	93.2 Å²	93.2	25%	0.246	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	6.3	-179.4	-63.5	-62.9	0	0	0	114.2	L25 G27 S31 Y32 Y33	L25-N29 WeakPolarHBondContact O-CB 3.21Å; L25-N29 PolarHBondContact O-N 3.19Å; L25-N29 PolarHBondContact O-ND2 2.89Å; G27-N29 VanDerWaalsContact C-N 3.34Å; G27-N29 PolarHBondContact O-N 3.43Å; N29-S31 PolarHBondContact O-N 3.14Å; N29-S31 VanDerWaalsContact O-N 3.13Å; N29-Y32 HydrophobicContact CB-CD2 4.16Å; N29-Y32 WeakPolarHBondContact O-CB 3.31Å; N29-Y32 PolarHBondContact O-N 3.37Å; N29-Y33 HydrophobicContact CB-CD2 4.06Å; N29-Y33 HydrophobicContact CB-CE2 3.46Å; N29-Y33 VanDerWaalsContact CB-CE2 3.46Å; N29-Y33 WeakPolarHBondContact O-CD2 3.36Å; N29-Y33 PolarHBondContact O-N 3.13Å; N29-Y33 VanDerWaalsContact O-N 3.14Å
30	A	89.5	Confident	83.7	Confident	35 Å²	35	94.8 Å²	94.8	29%	0.289	50%	0.497	S	S	.	.	H	α-helix	trans	-52.4	-40.6	-176.4	0	0	0	0	0	112	L26 G27 Y32 Y33 I34	L26-A30 WeakPolarHBondContact O-CA 3.42Å; L26-A30 VanDerWaalsContact O-CB 3.26Å; L26-A30 WeakPolarHBondContact O-CB 3.4Å; L26-A30 PolarHBondContact O-N 2.87Å; G27-A30 WeakPolarHBondContact O-CB 3.26Å; G27-A30 PolarHBondContact O-N 2.99Å; A30-Y32 PolarHBondContact O-N 2.91Å; A30-Y33 PolarHBondContact O-N 3.36Å; A30-I34 WeakPolarHBondContact O-CB 3.4Å; A30-I34 WeakPolarHBondContact O-CD1 3.49Å; A30-I34 WeakPolarHBondContact O-CG1 3.15Å; A30-I34 PolarHBondContact O-N 3.48Å
31	S	89.6	Confident	85	Confident	76 Å²	76	94.2 Å²	94.2	53%	0.531	50%	0.497	S	S	.	.	H	α-helix	trans	-62	-41.1	178.4	59.9	0	0	0	0	112.8	N29 A35	N29-S31 PolarHBondContact O-N 3.14Å; N29-S31 VanDerWaalsContact O-N 3.13Å; S31-A35 VanDerWaalsContact O-CB 3.31Å; S31-A35 WeakPolarHBondContact O-CB 3.27Å; S31-A35 PolarHBondContact O-N 2.85Å
32	Y	92.9	Very high	86.2	Confident	164 Å²	164	95.6 Å²	95.6	64%	0.643	50%	0.502	S	S	*	.	H	α-helix	trans	-66.9	-43.6	176.4	-63.7	-65.4	0	0	0	111.6	N29 A30 A35 A36	N29-Y32 HydrophobicContact CB-CD2 4.16Å; N29-Y32 WeakPolarHBondContact O-CB 3.31Å; N29-Y32 PolarHBondContact O-N 3.37Å; A30-Y32 PolarHBondContact O-N 2.91Å; Y32-A35 PolarHBondContact O-N 2.97Å; Y32-A36 VanDerWaalsContact O-CB 3.27Å; Y32-A36 WeakPolarHBondContact O-CB 3.14Å; Y32-A36 PolarHBondContact O-N 2.92Å
33	Y	92.3	Very high	87.6	Confident	113 Å²	113	95 Å²	95	44%	0.443	50%	0.499	S	S	.	.	H	α-helix	trans	-65	-41.1	177.8	-61.5	-55.8	0	0	0	112	L26 N29 A30 S37	L26-Y33 HydrophobicContact CD2-CD2 4.29Å; L26-Y33 HydrophobicContact CD2-CE2 3.82Å; N29-Y33 HydrophobicContact CB-CD2 4.06Å; N29-Y33 HydrophobicContact CB-CE2 3.46Å; N29-Y33 VanDerWaalsContact CB-CE2 3.46Å; N29-Y33 WeakPolarHBondContact O-CD2 3.36Å; N29-Y33 PolarHBondContact O-N 3.13Å; N29-Y33 VanDerWaalsContact O-N 3.14Å; A30-Y33 PolarHBondContact O-N 3.36Å; Y33-S37 VanDerWaalsContact O-CB 3.29Å; Y33-S37 WeakPolarHBondContact O-CB 3.35Å; Y33-S37 PolarHBondContact O-N 2.74Å; Y33-S37 PolarHBondContact O-OG 3.41Å
34	I	93.6	Very high	89	Confident	95 Å²	95	91.7 Å²	91.7	49%	0.487	49%	0.492	S	S	.	.	H	α-helix	trans	-61.4	-50.8	174.3	-70.8	165.9	0	0	0	110	A30 A36 S37 F38	A30-I34 WeakPolarHBondContact O-CB 3.4Å; A30-I34 WeakPolarHBondContact O-CD1 3.49Å; A30-I34 WeakPolarHBondContact O-CG1 3.15Å; A30-I34 PolarHBondContact O-N 3.48Å; I34-A36 PolarHBondContact O-N 3.45Å; I34-S37 PolarHBondContact O-N 2.92Å; I34-F38 HydrophobicContact CG2-CD2 3.59Å; I34-F38 HydrophobicContact CG2-CE2 3.5Å; I34-F38 VanDerWaalsContact O-CD2 3.24Å; I34-F38 WeakPolarHBondContact O-CD2 3.24Å; I34-F38 PolarHBondContact O-N 3.23Å
35	A	95.3	Very high	90.3	Very high	58 Å²	58	90.2 Å²	90.2	48%	0.479	49%	0.49	S	S	.	.	H	α-helix	trans	-60.4	-44.7	179.2	0	0	0	0	0	112.3	S31 Y32 S37 F38 A39	S31-A35 VanDerWaalsContact O-CB 3.31Å; S31-A35 WeakPolarHBondContact O-CB 3.27Å; S31-A35 PolarHBondContact O-N 2.85Å; Y32-A35 PolarHBondContact O-N 2.97Å; A35-S37 VanDerWaalsContact C-N 3.34Å; A35-S37 PolarHBondContact O-N 2.93Å; A35-F38 PolarHBondContact O-N 3.38Å; A35-A39 WeakPolarHBondContact O-CB 3.41Å; A35-A39 PolarHBondContact O-N 2.88Å
36	A	95.8	Very high	91.6	Very high	60 Å²	60	91.8 Å²	91.8	50%	0.496	49%	0.491	S	S	.	.	H	α-helix	trans	-62.2	-40.7	176.4	0	0	0	0	0	112.1	Y32 I34 A39 L40	Y32-A36 VanDerWaalsContact O-CB 3.27Å; Y32-A36 WeakPolarHBondContact O-CB 3.14Å; Y32-A36 PolarHBondContact O-N 2.92Å; I34-A36 PolarHBondContact O-N 3.45Å; A36-A39 PolarHBondContact O-N 2.87Å; A36-L40 WeakPolarHBondContact O-CB 3.29Å; A36-L40 PolarHBondContact O-N 3.37Å
37	S	96.1	Very high	93.1	Very high	76 Å²	76	92.2 Å²	92.2	53%	0.531	49%	0.494	S	S	.	.	H	α-helix	trans	-66.1	-42.9	177	-59.9	0	0	0	0	112	Y33 I34 A35 L40 L41	Y33-S37 VanDerWaalsContact O-CB 3.29Å; Y33-S37 WeakPolarHBondContact O-CB 3.35Å; Y33-S37 PolarHBondContact O-N 2.74Å; Y33-S37 PolarHBondContact O-OG 3.41Å; I34-S37 PolarHBondContact O-N 2.92Å; A35-S37 VanDerWaalsContact C-N 3.34Å; A35-S37 PolarHBondContact O-N 2.93Å; S37-L40 PolarHBondContact O-N 3.47Å; S37-L41 WeakPolarHBondContact O-CB 3.27Å; S37-L41 PolarHBondContact O-N 2.89Å
38	F	97.2	Very high	94.2	Very high	140 Å²	140	97.2 Å²	97.2	61%	0.614	50%	0.498	S	S	*	.	H	α-helix	trans	-62.8	-42.7	173.5	-85.1	-67.8	0	0	0	112.1	I34 A35 L41 W42	I34-F38 HydrophobicContact CG2-CD2 3.59Å; I34-F38 HydrophobicContact CG2-CE2 3.5Å; I34-F38 VanDerWaalsContact O-CD2 3.24Å; I34-F38 WeakPolarHBondContact O-CD2 3.24Å; I34-F38 PolarHBondContact O-N 3.23Å; A35-F38 PolarHBondContact O-N 3.38Å; F38-L41 PolarHBondContact O-N 2.91Å; F38-W42 VanDerWaalsContact O-CB 3.27Å; F38-W42 WeakPolarHBondContact O-CB 3.27Å; F38-W42 PolarHBondContact O-N 3.36Å
39	A	97	Very high	95	Very high	49 Å²	49	96.3 Å²	96.3	41%	0.405	49%	0.488	S	S	.	.	H	α-helix	trans	-62.1	-45.4	176.4	0	0	0	0	0	111.4	A35 A36 W42 I43	A35-A39 WeakPolarHBondContact O-CB 3.41Å; A35-A39 PolarHBondContact O-N 2.88Å; A36-A39 PolarHBondContact O-N 2.87Å; A39-W42 PolarHBondContact O-N 3.45Å; A39-I43 VanDerWaalsContact O-CG1 3.27Å; A39-I43 WeakPolarHBondContact O-CG1 3.37Å; A39-I43 PolarHBondContact O-N 3.49Å
40	L	97.4	Very high	95.4	Very high	102 Å²	102	95.1 Å²	95.1	53%	0.534	48%	0.482	S	S	.	.	H	α-helix	trans	-61.8	-48.2	176.7	179.6	62.1	0	0	0	111.5	A36 S37 W42 I43 L44	A36-L40 WeakPolarHBondContact O-CB 3.29Å; A36-L40 PolarHBondContact O-N 3.37Å; S37-L40 PolarHBondContact O-N 3.47Å; L40-W42 VanDerWaalsContact C-N 3.31Å; L40-W42 PolarHBondContact O-N 3.3Å; L40-I43 PolarHBondContact O-N 3.21Å; L40-L44 HydrophobicContact CD1-CD1 4.39Å; L40-L44 HydrophobicContact CD1-CG 4.36Å; L40-L44 HydrophobicContact CG-CD1 4.16Å; L40-L44 WeakPolarHBondContact O-CG 3.27Å; L40-L44 PolarHBondContact O-N 2.9Å
41	L	97.6	Very high	95.8	Very high	100 Å²	100	97.1 Å²	97.1	52%	0.524	49%	0.494	S	S	.	.	H	α-helix	trans	-60.3	-42.9	177.7	-177.8	64.8	0	0	0	111.2	S37 F38 I43 L44 V45	S37-L41 WeakPolarHBondContact O-CB 3.27Å; S37-L41 PolarHBondContact O-N 2.89Å; F38-L41 PolarHBondContact O-N 2.91Å; L41-I43 PolarHBondContact O-N 2.93Å; L41-L44 PolarHBondContact O-N 3.38Å; L41-V45 HydrophobicContact CD1-CG2 4.3Å; L41-V45 HydrophobicContact CG-CG2 4.42Å; L41-V45 WeakPolarHBondContact O-CB 3.42Å; L41-V45 VanDerWaalsContact O-CG2 3.27Å; L41-V45 WeakPolarHBondContact O-CG2 3.33Å; L41-V45 PolarHBondContact O-N 3.41Å
42	W	97.2	Very high	96.2	Very high	171 Å²	171	96.3 Å²	96.3	65%	0.648	48%	0.483	S	S	*	.	H	α-helix	trans	-61.4	-43.2	176.3	179.6	85.9	0	0	0	112	F38 A39 L40 V45 W46	F38-W42 VanDerWaalsContact O-CB 3.27Å; F38-W42 WeakPolarHBondContact O-CB 3.27Å; F38-W42 PolarHBondContact O-N 3.36Å; A39-W42 PolarHBondContact O-N 3.45Å; L40-W42 VanDerWaalsContact C-N 3.31Å; L40-W42 PolarHBondContact O-N 3.3Å; W42-V45 PolarHBondContact O-N 2.85Å; W42-W46 VanDerWaalsContact O-CB 3.25Å; W42-W46 WeakPolarHBondContact O-CB 3.38Å; W42-W46 PolarHBondContact O-N 2.91Å
43	I	96.8	Very high	96.4	Very high	78 Å²	78	92.8 Å²	92.8	40%	0.4	47%	0.472	S	S	.	.	H	α-helix	trans	-61.3	-47.2	174.9	-69.6	166.2	0	0	0	110.5	A39 L40 L41 W46 L47	A39-I43 VanDerWaalsContact O-CG1 3.27Å; A39-I43 WeakPolarHBondContact O-CG1 3.37Å; A39-I43 PolarHBondContact O-N 3.49Å; L40-I43 PolarHBondContact O-N 3.21Å; L41-I43 PolarHBondContact O-N 2.93Å; I43-W46 PolarHBondContact O-N 2.88Å; I43-L47 HydrophobicContact CG2-CD1 3.84Å; I43-L47 HydrophobicContact CG2-CG 4.26Å; I43-L47 WeakPolarHBondContact O-CB 3.3Å; I43-L47 VanDerWaalsContact O-CG 3.3Å; I43-L47 WeakPolarHBondContact O-CG 3.46Å; I43-L47 PolarHBondContact O-N 3.48Å
44	L	97.4	Very high	96.5	Very high	95 Å²	95	89.1 Å²	89.1	50%	0.497	46%	0.46	S	S	.	.	H	α-helix	trans	-62.5	-44.9	-179.8	-69.7	174.2	0	0	0	111.7	L40 L41 W46 L47 Y48	L40-L44 HydrophobicContact CD1-CD1 4.39Å; L40-L44 HydrophobicContact CD1-CG 4.36Å; L40-L44 HydrophobicContact CG-CD1 4.16Å; L40-L44 WeakPolarHBondContact O-CG 3.27Å; L40-L44 PolarHBondContact O-N 2.9Å; L41-L44 PolarHBondContact O-N 3.38Å; L44-W46 VanDerWaalsContact C-N 3.33Å; L44-W46 PolarHBondContact O-N 2.9Å; L44-L47 PolarHBondContact O-N 2.84Å; L44-Y48 WeakPolarHBondContact O-CB 3.25Å; L44-Y48 PolarHBondContact O-N 3.24Å
45	V	96.9	Very high	96.5	Very high	84 Å²	84	92.1 Å²	92.1	51%	0.509	47%	0.472	S	S	.	.	H	α-helix	trans	-63.2	-41.1	175.6	170.2	0	0	0	0	110.8	L41 W42 R49	L41-V45 HydrophobicContact CD1-CG2 4.3Å; L41-V45 HydrophobicContact CG-CG2 4.42Å; L41-V45 WeakPolarHBondContact O-CB 3.42Å; L41-V45 VanDerWaalsContact O-CG2 3.27Å; L41-V45 WeakPolarHBondContact O-CG2 3.33Å; L41-V45 PolarHBondContact O-N 3.41Å; W42-V45 PolarHBondContact O-N 2.85Å; V45-R49 WeakPolarHBondContact O-CB 3.25Å; V45-R49 PolarHBondContact O-N 3.49Å
46	W	96.3	Very high	96.4	Very high	100 Å²	100	94.3 Å²	94.3	38%	0.379	48%	0.476	S	S	.	.	H	α-helix	trans	-63.5	-46.6	176.7	-179.8	86.8	0	0	0	111.7	W42 I43 L44 R49 D50	W42-W46 VanDerWaalsContact O-CB 3.25Å; W42-W46 WeakPolarHBondContact O-CB 3.38Å; W42-W46 PolarHBondContact O-N 2.91Å; I43-W46 PolarHBondContact O-N 2.88Å; L44-W46 VanDerWaalsContact C-N 3.33Å; L44-W46 PolarHBondContact O-N 2.9Å; W46-R49 PolarHBondContact O-N 3.01Å; W46-D50 VanDerWaalsContact O-CB 3.25Å; W46-D50 WeakPolarHBondContact O-CB 3.19Å; W46-D50 PolarHBondContact O-N 3.39Å
47	L	95.9	Very high	96.3	Very high	89 Å²	89	92.4 Å²	92.4	47%	0.466	46%	0.457	S	S	.	.	H	α-helix	trans	-62.2	-45	177.5	-72.9	172.8	0	0	0	111.8	I43 L44 D50 S51	I43-L47 HydrophobicContact CG2-CD1 3.84Å; I43-L47 HydrophobicContact CG2-CG 4.26Å; I43-L47 WeakPolarHBondContact O-CB 3.3Å; I43-L47 VanDerWaalsContact O-CG 3.3Å; I43-L47 WeakPolarHBondContact O-CG 3.46Å; I43-L47 PolarHBondContact O-N 3.48Å; L44-L47 PolarHBondContact O-N 2.84Å; L47-D50 PolarHBondContact O-N 2.87Å; L47-S51 WeakPolarHBondContact O-CB 3.49Å; L47-S51 PolarHBondContact O-N 3.35Å
48	Y	97.1	Very high	96.2	Very high	157 Å²	157	91.7 Å²	91.7	62%	0.616	45%	0.452	S	S	*	.	H	α-helix	trans	-59.9	-51	175.5	174.6	-107.2	0	0	0	110.7	L44 D50 S51 L52	L44-Y48 WeakPolarHBondContact O-CB 3.25Å; L44-Y48 PolarHBondContact O-N 3.24Å; Y48-D50 VanDerWaalsContact C-N 3.3Å; Y48-D50 PolarHBondContact O-N 3.43Å; Y48-S51 PolarHBondContact O-N 2.56Å; Y48-S51 VanDerWaalsContact O-N 3.12Å; Y48-S51 PolarHBondContact O-OG 3.47Å; Y48-L52 HydrophobicContact CE1-CD1 4.32Å; Y48-L52 HydrophobicContact CE1-CD2 4.39Å; Y48-L52 HydrophobicContact CE2-CD2 4.24Å; Y48-L52 PolarHBondContact O-N 3.45Å
49	R	96.3	Very high	96	Very high	134 Å²	134	88.7 Å²	88.7	51%	0.506	44%	0.442	S	S	.	.	H	α-helix	trans	-59.1	-39.7	179	179.6	-177.6	160.8	-167.8	-8.2	112.7	V45 W46 S51 L52 H307	V45-R49 WeakPolarHBondContact O-CB 3.25Å; V45-R49 PolarHBondContact O-N 3.49Å; W46-R49 PolarHBondContact O-N 3.01Å; R49-S51 VanDerWaalsContact C-N 3.33Å; R49-L52 PolarHBondContact O-N 3.44Å; R49-H307 HydrophobicContact CG-CB 4.05Å
50	D	96.4	Very high	96.1	Very high	22 Å²	22	89.4 Å²	89.4	12%	0.118	44%	0.436	C	S	.	.	H	α-helix	trans	-70.3	-30.7	179.3	-167.3	76.3	0	0	0	111.9	W46 L47 Y48 L52 H301 R309	W46-D50 VanDerWaalsContact O-CB 3.25Å; W46-D50 WeakPolarHBondContact O-CB 3.19Å; W46-D50 PolarHBondContact O-N 3.39Å; L47-D50 PolarHBondContact O-N 2.87Å; Y48-D50 VanDerWaalsContact C-N 3.3Å; Y48-D50 PolarHBondContact O-N 3.43Å; D50-L52 VanDerWaalsContact C-N 3.29Å; D50-L52 PolarHBondContact O-N 2.74Å; D50-H301 PolarHBondContact O-NE2 3.39Å; D50-H301 IonicContact OD1-CE1 3.39Å; D50-H301 PolarHBondContact OD1-CE1 3.12Å; D50-H301 IonicContact OD1-NE2 3.49Å; D50-H301 IonicContact OD2-CE1 2.6Å; D50-H301 IonicContact OD2-NE2 3.35Å; D50-H301 PolarHBondContact OD2-NE2 2.67Å; D50-R309 VanDerWaalsContact CG-NH2 3.3Å; D50-R309 IonicContact OD1-CZ 3.47Å; D50-R309 IonicContact OD1-NE 3.36Å; D50-R309 PolarHBondContact OD1-NE 3.33Å; D50-R309 IonicContact OD1-NH2 3.45Å; D50-R309 PolarHBondContact OD1-NH2 2.9Å; D50-R309 IonicContact OD2-CZ 3.34Å; D50-R309 IonicContact OD2-NE 2.8Å; D50-R309 PolarHBondContact OD2-NE 3.48Å; D50-R309 IonicContact OD2-NH2 2.56Å; D50-R309 PolarHBondContact OD2-NH2 3.22Å
51	S	96.2	Very high	96.1	Very high	77 Å²	77	85.2 Å²	85.2	54%	0.538	41%	0.414	S	S	.	.	H	α-helix	trans	-72.6	-15.8	176.5	76.5	0	0	0	0	115	L47 Y48 R49 E53	L47-S51 WeakPolarHBondContact O-CB 3.49Å; L47-S51 PolarHBondContact O-N 3.35Å; Y48-S51 PolarHBondContact O-N 2.56Å; Y48-S51 VanDerWaalsContact O-N 3.12Å; Y48-S51 PolarHBondContact O-OG 3.47Å; R49-S51 VanDerWaalsContact C-N 3.33Å; S51-E53 PolarHBondContact O-N 3.45Å
52	L	97.8	Very high	96.2	Very high	58 Å²	58	80.5 Å²	80.5	30%	0.304	39%	0.389	S	S	.	.			trans	-70.2	130.9	-178.7	-63.2	178	0	0	0	110.4	Y48 R49 D50 A305 A306	Y48-L52 HydrophobicContact CE1-CD1 4.32Å; Y48-L52 HydrophobicContact CE1-CD2 4.39Å; Y48-L52 HydrophobicContact CE2-CD2 4.24Å; Y48-L52 PolarHBondContact O-N 3.45Å; R49-L52 PolarHBondContact O-N 3.44Å; D50-L52 VanDerWaalsContact C-N 3.29Å; D50-L52 PolarHBondContact O-N 2.74Å; L52-A305 CarbonylContact O-C 3.45Å; L52-A305 WeakPolarHBondContact O-CA 3.34Å; L52-A306 HydrophobicContact CB-CB 3.86Å; L52-A306 PolarHBondContact O-N 3.33Å
53	E	97.2	Very high	96.3	Very high	91 Å²	91	72.3 Å²	72.3	43%	0.425	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-112.2	159.5	175.5	-63.6	-162.4	135.8	0	0	111.7	S51 R82 T304	S51-E53 PolarHBondContact O-N 3.45Å; E53-R82 IonicContact OE1-NH2 2.64Å; E53-R82 PolarHBondContact OE1-NH2 2.74Å; E53-R82 IonicContact OE2-CZ 3.45Å; E53-R82 IonicContact OE2-NH2 3.88Å; E53-R82 PolarHBondContact OE2-NH2 3.42Å; E53-T304 CarbonylContact C-O 3.54Å; E53-T304 WeakPolarHBondContact CA-O 3.45Å; E53-T304 WeakPolarHBondContact OE1-CB 3.19Å; E53-T304 PolarHBondContact OE1-OG1 3.28Å
54	I	96.1	Very high	96.4	Very high	35 Å²	35	68.6 Å²	68.6	18%	0.179	34%	0.339	C	S	.	.			trans	-74.9	153.9	169.1	68.5	-170.7	0	0	0	110.9	L57 W137 L303 T304	I54-L57 HydrophobicContact CD1-CD2 3.85Å; I54-L57 HydrophobicContact CG1-CD2 3.53Å; I54-W137 HydrophobicContact CD1-CH2 4.17Å; I54-W137 HydrophobicContact CD1-CZ2 3.2Å; I54-W137 HydrophobicContact CG2-CZ2 4.33Å; I54-L303 WeakPolarHBondContact CD1-O 3.22Å; I54-T304 WeakPolarHBondContact CG1-O 3.36Å; I54-T304 WeakPolarHBondContact CG2-O 3.13Å; I54-T304 PolarHBondContact N-O 3.07Å
55	E	92.8	Very high	96.5	Very high	158 Å²	158	64.2 Å²	64.2	74%	0.738	32%	0.316	S	S	*	.	S	Bend	trans	-89.1	169.4	174.4	-61.2	177.2	-177.4	0	0	112.5
56	N	92.1	Very high	96.5	Very high	105 Å²	105	61.2 Å²	61.2	56%	0.561	30%	0.302	S	S	*	.			trans	58	50.9	170.4	-57.5	-50.1	0	0	0	115	S58 D59	N56-S58 PolarHBondContact O-N 3.04Å; N56-D59 PolarHBondContact O-N 3.27Å
57	L	94.7	Very high	96.6	Very high	20 Å²	20	56.5 Å²	56.5	11%	0.105	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-60	-28.2	178.9	-53.3	-175	0	0	0	113.1	I54 D59 K60 F84 T304	I54-L57 HydrophobicContact CD1-CD2 3.85Å; I54-L57 HydrophobicContact CG1-CD2 3.53Å; L57-D59 PolarHBondContact O-N 3.43Å; L57-D59 VanDerWaalsContact O-N 3.16Å; L57-K60 WeakPolarHBondContact O-CB 3.44Å; L57-K60 PolarHBondContact O-N 2.65Å; L57-F84 HydrophobicContact CB-CD2 4.36Å; L57-F84 HydrophobicContact CB-CE1 4.48Å; L57-F84 HydrophobicContact CB-CE2 4.18Å; L57-F84 HydrophobicContact CB-CZ 4.27Å; L57-F84 HydrophobicContact CD1-CE2 3.91Å; L57-F84 HydrophobicContact CD1-CZ 4.35Å; L57-F84 HydrophobicContact CD2-CE1 4.27Å; L57-F84 HydrophobicContact CD2-CE2 4.11Å; L57-F84 HydrophobicContact CD2-CZ 3.68Å; L57-F84 HydrophobicContact CG-CE2 4.29Å; L57-F84 HydrophobicContact CG-CZ 4.31Å; L57-T304 HydrophobicContact CD1-CG2 4.32Å; L57-T304 HydrophobicContact CD2-CG2 4.41Å
58	S	93.9	Very high	96.7	Very high	61 Å²	61	53.8 Å²	53.8	43%	0.427	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-61	-22	-178.8	52.7	0	0	0	0	115.5	N56 G83 R85	N56-S58 PolarHBondContact O-N 3.04Å; S58-G83 VanDerWaalsContact CA-O 3.26Å; S58-G83 WeakPolarHBondContact CA-O 3.32Å; S58-R85 PolarHBondContact O-NE 2.85Å
59	D	93.9	Very high	96.6	Very high	77 Å²	77	50.6 Å²	50.6	41%	0.412	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-98.9	-5.7	179.5	-65.1	-33.8	0	0	0	113	N56 L57	N56-D59 PolarHBondContact O-N 3.27Å; L57-D59 PolarHBondContact O-N 3.43Å; L57-D59 VanDerWaalsContact O-N 3.16Å
60	K	97.9	Very high	96.6	Very high	63 Å²	63	45.2 Å²	45.2	27%	0.274	25%	0.254	S	S	.	.			trans	-90.6	124.5	-175.3	-58.2	-53.2	-178.2	-173.7	0	110.6	L57 F84 R85 W137	L57-K60 WeakPolarHBondContact O-CB 3.44Å; L57-K60 PolarHBondContact O-N 2.65Å; K60-F84 HydrophobicContact CB-CD1 3.63Å; K60-F84 HydrophobicContact CB-CE1 3.58Å; K60-F84 HydrophobicContact CG-CE1 4.26Å; K60-R85 PolarHBondContact O-N 3.1Å; K60-W137 HydrophobicContact CB-CB 3.73Å; K60-W137 HydrophobicContact CB-CG 3.7Å; K60-W137 HydrophobicContact CD-CB 3.97Å; K60-W137 HydrophobicContact CD-CD2 3.8Å; K60-W137 HydrophobicContact CD-CE3 4.01Å; K60-W137 HydrophobicContact CD-CG 3.78Å; K60-W137 HydrophobicContact CG-CB 4.27Å; K60-W137 HydrophobicContact CG-CD2 4.23Å; K60-W137 HydrophobicContact CG-CG 3.91Å
61	Y	98.7	Very high	96.7	Very high	15 Å²	15	45.4 Å²	45.4	6%	0.059	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	130.2	173.6	-72.3	-100.2	0	0	0	111.2	R85 L87 E130 V131 L136 W137 G138	Y61-R85 CarbonylContact C-O 3.54Å; Y61-R85 VanDerWaalsContact CA-O 3.26Å; Y61-R85 WeakPolarHBondContact CA-O 3.47Å; Y61-R85 HydrophobicContact CD1-CB 3.54Å; Y61-R85 HydrophobicContact CD2-CB 4.34Å; Y61-R85 HydrophobicContact CE1-CB 3.72Å; Y61-R85 HydrophobicContact CE1-CG 4.32Å; Y61-R85 HydrophobicContact CE2-CB 4.46Å; Y61-R85 VanDerWaalsContact CE2-CD 3.43Å; Y61-R85 HydrophobicContact CG-CB 3.9Å; Y61-L87 HydrophobicContact CD1-CD1 4.12Å; Y61-L87 HydrophobicContact CD1-CD2 4.36Å; Y61-L87 HydrophobicContact CD1-CG 4.25Å; Y61-E130 HydrophobicContact CE1-CB 4.43Å; Y61-E130 VanDerWaalsContact CE1-O 3.31Å; Y61-E130 WeakPolarHBondContact CE1-O 3.37Å; Y61-E130 PolarHBondContact OH-O 2.8Å; Y61-V131 HydrophobicContact CD1-CG1 3.85Å; Y61-V131 HydrophobicContact CD2-CB 4.32Å; Y61-V131 HydrophobicContact CD2-CG1 4.16Å; Y61-V131 HydrophobicContact CE1-CG1 4.49Å; Y61-V131 HydrophobicContact CG-CB 4.29Å; Y61-V131 HydrophobicContact CG-CG1 3.64Å; Y61-L136 WeakPolarHBondContact O-CD1 3.49Å; Y61-W137 WeakPolarHBondContact O-CA 3.36Å; Y61-W137 VanDerWaalsContact O-CB 3.28Å; Y61-W137 WeakPolarHBondContact O-CB 3.26Å; Y61-W137 PolarHBondContact O-N 2.86Å; Y61-G138 PolarHBondContact O-N 3.07Å; Y61-G138 VanDerWaalsContact O-N 3.08Å
62	V	98.8	Very high	96.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.2	176.4	-179.2	0	0	0	0	109.8	V64 L79 F84 R85 L87 G138 V140 L303	V62-V64 HydrophobicContact CG1-CG2 4Å; V62-L79 HydrophobicContact CB-CD1 4.18Å; V62-L79 HydrophobicContact CG1-CD1 3.81Å; V62-F84 HydrophobicContact CG2-CD1 3.56Å; V62-F84 HydrophobicContact CG2-CE1 3.84Å; V62-F84 HydrophobicContact CG2-CG 4.27Å; V62-R85 PolarHBondContact N-O 3.27Å; V62-L87 PolarHBondContact O-N 3.39Å; V62-G138 CarbonylContact C-O 3.54Å; V62-G138 WeakPolarHBondContact CA-O 3.45Å; V62-V140 HydrophobicContact CG1-CG2 4.11Å; V62-L303 HydrophobicContact CG1-CD1 3.89Å; V62-L303 HydrophobicContact CG1-CD2 4.14Å; V62-L303 HydrophobicContact CG2-CD1 4.44Å; V62-L303 HydrophobicContact CG2-CD2 4.3Å
63	F	98.9	Very high	96.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	128.7	173.2	-164.5	-78.3	0	0	0	110	T65 L87 V110 L112 A123 W126 T127 L136 G138 I139 V140 M174 F178	F63-T65 HydrophobicContact CD1-CG2 4.21Å; F63-T65 HydrophobicContact CE1-CG2 3.93Å; F63-L87 CarbonylContact C-O 3.58Å; F63-L87 VanDerWaalsContact CA-O 3.25Å; F63-L87 WeakPolarHBondContact CA-O 3.37Å; F63-L87 HydrophobicContact CB-CB 4.46Å; F63-L87 HydrophobicContact CD2-CB 3.68Å; F63-L87 HydrophobicContact CD2-CD1 4.42Å; F63-L87 HydrophobicContact CE2-CB 4.31Å; F63-L87 HydrophobicContact CG-CB 4.38Å; F63-V110 HydrophobicContact CE2-CG1 3.98Å; F63-V110 HydrophobicContact CZ-CG1 3.96Å; F63-L112 HydrophobicContact CE1-CD2 3.72Å; F63-L112 HydrophobicContact CZ-CD2 3.94Å; F63-A123 HydrophobicContact CZ-CB 4.3Å; F63-W126 HydrophobicContact CE2-CZ3 4.21Å; F63-T127 HydrophobicContact CD2-CG2 4.34Å; F63-T127 WeakPolarHBondContact CD2-OG1 3.22Å; F63-T127 WeakPolarHBondContact CE2-OG1 3.36Å; F63-L136 HydrophobicContact CB-CD1 4.03Å; F63-L136 HydrophobicContact CB-CD2 3.89Å; F63-G138 PolarHBondContact N-O 3.19Å; F63-I139 HydrophobicContact CB-CG1 4.43Å; F63-I139 HydrophobicContact CD1-CG1 4.48Å; F63-I139 CarbonylContact O-C 3.56Å; F63-I139 WeakPolarHBondContact O-CA 3.31Å; F63-V140 PolarHBondContact O-N 2.71Å; F63-M174 HydrophobicContact CD1-CE 4.13Å; F63-M174 HydrophobicContact CE1-CE 3.71Å; F63-M174 HydrophobicContact CZ-CE 4.39Å; F63-F178 HydrophobicContact CD1-CE1 4.36Å; F63-F178 AromaticContact CD2-CE1 3.76Å; F63-F178 HydrophobicContact CD2-CE1 3.76Å; F63-F178 HydrophobicContact CD2-CZ 4.31Å; F63-F178 HydrophobicContact CE1-CZ 4.46Å; F63-F178 HydrophobicContact CE2-CE1 4.01Å; F63-F178 HydrophobicContact CE2-CZ 4.1Å; F63-F178 AromaticContact CG-CE1 3.96Å; F63-F178 HydrophobicContact CG-CE1 3.96Å; F63-F178 HydrophobicContact CZ-CE1 4.43Å; F63-F178 HydrophobicContact CZ-CZ 4.19Å
64	V	98.9	Very high	96.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.6	179.5	-174	0	0	0	0	109.2	V62 C67 L75 L79 L87 G89 V140	V62-V64 HydrophobicContact CG1-CG2 4Å; V64-C67 VanDerWaalsContact C-SG 3.59Å; V64-C67 VanDerWaalsContact CG1-SG 3.56Å; V64-C67 PolarHBondContact O-SG 3.1Å; V64-L75 HydrophobicContact CG1-CD2 4.28Å; V64-L75 HydrophobicContact CG2-CD2 4.18Å; V64-L79 HydrophobicContact CG2-CD1 4.36Å; V64-L87 PolarHBondContact N-O 3.28Å; V64-G89 PolarHBondContact O-N 2.7Å; V64-V140 HydrophobicContact CB-CB 4.46Å; V64-V140 HydrophobicContact CG1-CB 4.19Å; V64-V140 HydrophobicContact CG1-CG1 4.47Å; V64-V140 HydrophobicContact CG2-CB 4.19Å; V64-V140 HydrophobicContact CG2-CG2 4.25Å
65	T	98.8	Very high	96.9	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.018	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	149.2	175.8	68.3	0	0	0	0	111.9	F63 L112 V114 V140 N142 A143 M174	F63-T65 HydrophobicContact CD1-CG2 4.21Å; F63-T65 HydrophobicContact CE1-CG2 3.93Å; T65-L112 HydrophobicContact CG2-CD2 3.78Å; T65-V114 HydrophobicContact CG2-CG1 4.38Å; T65-V140 PolarHBondContact N-O 2.93Å; T65-V140 PolarHBondContact OG1-O 3.44Å; T65-N142 VanDerWaalsContact O-CB 3.31Å; T65-N142 WeakPolarHBondContact O-CB 3.29Å; T65-N142 PolarHBondContact O-ND2 3.26Å; T65-N142 PolarHBondContact OG1-N 3.05Å; T65-A143 PolarHBondContact O-N 3.28Å; T65-A143 WeakPolarHBondContact OG1-CB 3.44Å; T65-A143 PolarHBondContact OG1-N 3.02Å; T65-M174 HydrophobicContact CG2-CE 3.73Å; T65-M174 HydrophobicContact CG2-CG 4.22Å; T65-M174 HydrophobicContact CG2-SD 4.38Å
66	G	98.1	Very high	97.2	Very high	21 Å²	21	28.4 Å²	28.4	22%	0.216	17%	0.165	C	C	.	.			trans	69.8	53.4	176.9	0	0	0	0	0	112.5	G89 N142	G66-G89 PolarHBondContact N-O 2.87Å; G66-N142 PolarHBondContact O-ND2 3.07Å; G66-N142 VanDerWaalsContact O-ND2 3.09Å
67	C	98.2	Very high	97.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.152	C	C	.	.			trans	-93.9	0.5	-172.1	-62	0	0	0	0	114.8	V64 T69 N73 C76 A88 G89 C90 L99	V64-C67 VanDerWaalsContact C-SG 3.59Å; V64-C67 VanDerWaalsContact CG1-SG 3.56Å; V64-C67 PolarHBondContact O-SG 3.1Å; C67-T69 VanDerWaalsContact C-N 3.32Å; C67-T69 PolarHBondContact O-N 3.35Å; C67-N73 VanDerWaalsContact O-CB 3.26Å; C67-N73 WeakPolarHBondContact O-CB 3.31Å; C67-N73 PolarHBondContact O-ND2 3.22Å; C67-C76 PolarHBondContact SG-SG 3.46Å; C67-A88 HydrophobicContact CB-CB 3.95Å; C67-G89 PolarHBondContact N-O 3.37Å; C67-C90 VanDerWaalsContact CB-SG 3.59Å; C67-L99 HydrophobicContact CB-CD2 3.88Å
68	D	97.3	Very high	97.6	Very high	32 Å²	32	27.9 Å²	27.9	17%	0.171	16%	0.157	C	C	.	.	S	Bend	trans	-59.3	-42.4	-178.8	-55.3	-112.3	0	0	0	111.8	N73 C90 L91 T92	D68-N73 PolarHBondContact O-ND2 3.16Å; D68-C90 WeakPolarHBondContact OD2-CA 3.48Å; D68-L91 PolarHBondContact OD1-N 2.95Å; D68-L91 PolarHBondContact OD2-N 3.19Å; D68-T92 WeakPolarHBondContact OD1-CB 3.24Å; D68-T92 PolarHBondContact OD1-N 2.89Å; D68-T92 PolarHBondContact OD1-OG1 2.77Å
69	T	95.4	Very high	97.8	Very high	90 Å²	90	25 Å²	25	55%	0.552	14%	0.136	S	C	*	.	S	Bend	trans	-150.2	-178.3	-178.3	63.7	0	0	0	0	111.8	C67 N73	C67-T69 VanDerWaalsContact C-N 3.32Å; C67-T69 PolarHBondContact O-N 3.35Å; T69-N73 PolarHBondContact O-N 3.34Å
70	G	95.9	Very high	97.9	Very high	22 Å²	22	22.3 Å²	22.3	23%	0.227	12%	0.122	C	C	.	.	H	α-helix	trans	63.7	-140.5	167.7	0	0	0	0	0	114.5	L74	G70-L74 WeakPolarHBondContact O-CB 3.34Å; G70-L74 PolarHBondContact O-N 3.33Å; G70-L74 VanDerWaalsContact O-N 3.09Å
71	F	97.9	Very high	97.8	Very high	26 Å²	26	28.1 Å²	28.1	11%	0.114	14%	0.142	C	C	.	.	H	α-helix	trans	-62.9	-46	-174	-58.2	-45.3	0	0	0	113.2	N73 L74 L75 N142 F239 T241 L292 V295 T296 M299	F71-N73 PolarHBondContact O-N 3.48Å; F71-L74 PolarHBondContact O-N 2.88Å; F71-L75 VanDerWaalsContact O-CB 3.27Å; F71-L75 WeakPolarHBondContact O-CB 3.3Å; F71-L75 PolarHBondContact O-N 3.21Å; F71-N142 WeakPolarHBondContact CB-OD1 2.98Å; F71-F239 HydrophobicContact CE1-CB 4.09Å; F71-F239 HydrophobicContact CE1-CG 4.19Å; F71-F239 HydrophobicContact CZ-CB 3.66Å; F71-F239 HydrophobicContact CZ-CD2 4.11Å; F71-F239 AromaticContact CZ-CG 3.9Å; F71-F239 HydrophobicContact CZ-CG 3.9Å; F71-T241 HydrophobicContact CD1-CG2 4.45Å; F71-T241 HydrophobicContact CE1-CG2 4.01Å; F71-T241 HydrophobicContact CE2-CG2 4.13Å; F71-T241 HydrophobicContact CZ-CG2 3.84Å; F71-L292 HydrophobicContact CD1-CB 4.05Å; F71-L292 HydrophobicContact CD1-CD2 4.38Å; F71-L292 HydrophobicContact CE1-CB 3.99Å; F71-L292 HydrophobicContact CE1-CD2 3.69Å; F71-L292 HydrophobicContact CE1-CG 4.28Å; F71-L292 HydrophobicContact CZ-CD2 4.46Å; F71-V295 HydrophobicContact CD1-CB 3.82Å; F71-V295 HydrophobicContact CD1-CG1 4.03Å; F71-V295 HydrophobicContact CD1-CG2 4.24Å; F71-V295 HydrophobicContact CD2-CG1 4.18Å; F71-V295 HydrophobicContact CE1-CB 3.62Å; F71-V295 HydrophobicContact CE1-CG1 4.05Å; F71-V295 HydrophobicContact CE1-CG2 3.51Å; F71-V295 HydrophobicContact CE2-CG1 4.2Å; F71-V295 HydrophobicContact CE2-CG2 4.42Å; F71-V295 HydrophobicContact CG-CB 4.4Å; F71-V295 HydrophobicContact CG-CG1 4.09Å; F71-V295 HydrophobicContact CZ-CB 4.04Å; F71-V295 HydrophobicContact CZ-CG1 4.13Å; F71-V295 HydrophobicContact CZ-CG2 3.62Å; F71-T296 HydrophobicContact CB-CG2 4.28Å; F71-T296 HydrophobicContact CD1-CG2 4.48Å; F71-T296 WeakPolarHBondContact O-CG2 3.27Å; F71-M299 HydrophobicContact CB-CE 3.84Å; F71-M299 HydrophobicContact CB-SD 4.44Å; F71-M299 HydrophobicContact CD2-CE 4.41Å; F71-M299 HydrophobicContact CG-CE 4.3Å
72	G	98	Very high	97.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.8	-47.7	-179.6	0	0	0	0	0	111.7	L74 L75 C76 N142	G72-L74 PolarHBondContact O-N 3.48Å; G72-L75 PolarHBondContact O-N 2.82Å; G72-C76 WeakPolarHBondContact O-CB 3.04Å; G72-C76 PolarHBondContact O-N 2.86Å; G72-C76 PolarHBondContact O-SG 3.32Å; G72-N142 WeakPolarHBondContact CA-ND2 3.21Å; G72-N142 PolarHBondContact N-ND2 2.94Å
73	N	98	Very high	97.4	Very high	19 Å²	19	33.2 Å²	33.2	10%	0.102	17%	0.17	C	C	.	.	H	α-helix	trans	-58.7	-47.9	176.7	-169.5	-85.5	0	0	0	112.4	C67 D68 T69 F71 C76 K77	C67-N73 VanDerWaalsContact O-CB 3.26Å; C67-N73 WeakPolarHBondContact O-CB 3.31Å; C67-N73 PolarHBondContact O-ND2 3.22Å; D68-N73 PolarHBondContact O-ND2 3.16Å; T69-N73 PolarHBondContact O-N 3.34Å; F71-N73 PolarHBondContact O-N 3.48Å; N73-C76 PolarHBondContact O-N 2.93Å; N73-K77 PolarHBondContact O-N 3.29Å; N73-K77 VanDerWaalsContact OD1-CE 3.26Å; N73-K77 WeakPolarHBondContact OD1-CE 3.42Å; N73-K77 PolarHBondContact OD1-NZ 2.82Å
74	L	98.1	Very high	97.4	Very high	42 Å²	42	33.2 Å²	33.2	22%	0.22	17%	0.17	C	C	.	.	H	α-helix	trans	-66.8	-39.3	-179.7	178.9	62.7	0	0	0	111.9	G70 F71 G72 K77 K78 L292 T293 T296	G70-L74 WeakPolarHBondContact O-CB 3.34Å; G70-L74 PolarHBondContact O-N 3.33Å; G70-L74 VanDerWaalsContact O-N 3.09Å; F71-L74 PolarHBondContact O-N 2.88Å; G72-L74 PolarHBondContact O-N 3.48Å; L74-K77 PolarHBondContact O-N 2.82Å; L74-K78 WeakPolarHBondContact O-CB 3.45Å; L74-K78 PolarHBondContact O-N 2.64Å; L74-L292 HydrophobicContact CD2-CB 3.71Å; L74-T293 HydrophobicContact CD2-CG2 4.26Å; L74-T296 HydrophobicContact CB-CG2 4Å; L74-T296 HydrophobicContact CD2-CG2 3.89Å; L74-T296 HydrophobicContact CG-CG2 3.94Å
75	L	98.7	Very high	97.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.4	-46.6	175.7	179.8	65.1	0	0	0	110.6	V64 F71 G72 K77 K78 L79 V140 T296 M299 E300	V64-L75 HydrophobicContact CG1-CD2 4.28Å; V64-L75 HydrophobicContact CG2-CD2 4.18Å; F71-L75 VanDerWaalsContact O-CB 3.27Å; F71-L75 WeakPolarHBondContact O-CB 3.3Å; F71-L75 PolarHBondContact O-N 3.21Å; G72-L75 PolarHBondContact O-N 2.82Å; L75-K77 VanDerWaalsContact C-N 3.33Å; L75-K77 PolarHBondContact O-N 3.06Å; L75-K78 WeakPolarHBondContact O-CA 3.44Å; L75-K78 WeakPolarHBondContact O-CB 3.14Å; L75-K78 PolarHBondContact O-N 2.61Å; L75-L79 HydrophobicContact CD1-CD1 4.01Å; L75-L79 HydrophobicContact CD1-CD2 4.15Å; L75-L79 HydrophobicContact CD1-CG 3.83Å; L75-L79 HydrophobicContact CD2-CD1 4.2Å; L75-L79 HydrophobicContact CG-CD1 3.76Å; L75-L79 HydrophobicContact CG-CG 4Å; L75-L79 WeakPolarHBondContact O-CG 2.81Å; L75-L79 PolarHBondContact O-N 3.17Å; L75-V140 HydrophobicContact CD2-CB 4.23Å; L75-V140 HydrophobicContact CD2-CG1 3.89Å; L75-V140 HydrophobicContact CD2-CG2 3.94Å; L75-T296 HydrophobicContact CB-CG2 4.1Å; L75-M299 HydrophobicContact CB-SD 4.46Å; L75-M299 HydrophobicContact CD1-CB 3.88Å; L75-M299 HydrophobicContact CD2-CB 3.86Å; L75-M299 HydrophobicContact CD2-CG 4.41Å; L75-M299 HydrophobicContact CD2-SD 3.83Å; L75-M299 HydrophobicContact CG-CB 4.48Å; L75-E300 HydrophobicContact CD1-CB 4.46Å
76	C	98.6	Very high	97.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-55	-47.9	177.6	-75.1	0	0	0	0	112	C67 G72 N73 K78 L79 D80 V86 L99 L107	C67-C76 PolarHBondContact SG-SG 3.46Å; G72-C76 WeakPolarHBondContact O-CB 3.04Å; G72-C76 PolarHBondContact O-N 2.86Å; G72-C76 PolarHBondContact O-SG 3.32Å; N73-C76 PolarHBondContact O-N 2.93Å; C76-K78 VanDerWaalsContact C-N 3.26Å; C76-K78 PolarHBondContact O-N 3.05Å; C76-L79 PolarHBondContact O-N 2.98Å; C76-D80 WeakPolarHBondContact O-CB 3.1Å; C76-D80 PolarHBondContact O-N 3.27Å; C76-V86 HydrophobicContact CB-CG1 4.06Å; C76-L99 HydrophobicContact CB-CD1 4.23Å; C76-L99 HydrophobicContact CB-CD2 4.02Å; C76-L107 HydrophobicContact CB-CD1 3.71Å
77	K	97.8	Very high	97.4	Very high	67 Å²	67	35.5 Å²	35.5	29%	0.291	17%	0.171	S	C	.	.	H	α-helix	trans	-61.5	-31.6	174.4	-71.4	165	171.5	164.6	0	113.4	N73 L74 L75 R81 L99 T103	N73-K77 PolarHBondContact O-N 3.29Å; N73-K77 VanDerWaalsContact OD1-CE 3.26Å; N73-K77 WeakPolarHBondContact OD1-CE 3.42Å; N73-K77 PolarHBondContact OD1-NZ 2.82Å; L74-K77 PolarHBondContact O-N 2.82Å; L75-K77 VanDerWaalsContact C-N 3.33Å; L75-K77 PolarHBondContact O-N 3.06Å; K77-R81 WeakPolarHBondContact O-CG 3.4Å; K77-R81 PolarHBondContact O-N 3.46Å; K77-R81 PolarHBondContact O-NE 3.02Å; K77-L99 HydrophobicContact CG-CD1 4.05Å; K77-T103 HydrophobicContact CG-CG2 3.88Å
78	K	97.3	Very high	97.4	Very high	47 Å²	47	35.5 Å²	35.5	20%	0.204	17%	0.171	C	C	.	.	H	α-helix	trans	-76.1	-46.3	179.8	-161	177.4	-166.5	-154.3	0	110.9	L74 L75 C76 R81 R82 S297 E300	L74-K78 WeakPolarHBondContact O-CB 3.45Å; L74-K78 PolarHBondContact O-N 2.64Å; L75-K78 WeakPolarHBondContact O-CA 3.44Å; L75-K78 WeakPolarHBondContact O-CB 3.14Å; L75-K78 PolarHBondContact O-N 2.61Å; C76-K78 VanDerWaalsContact C-N 3.26Å; C76-K78 PolarHBondContact O-N 3.05Å; K78-R81 PolarHBondContact O-N 3.35Å; K78-R82 WeakPolarHBondContact O-CG 3.4Å; K78-R82 PolarHBondContact O-N 3.18Å; K78-R82 VanDerWaalsContact O-N 3.09Å; K78-S297 PolarHBondContact NZ-OG 3.33Å; K78-E300 WeakPolarHBondContact CD-OE2 3.44Å; K78-E300 WeakPolarHBondContact CE-OE2 3.42Å; K78-E300 IonicContact NZ-OE2 3.62Å; K78-E300 PolarHBondContact NZ-OE2 3.16Å
79	L	97.9	Very high	97.5	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.4	-41.5	179.4	-66.3	179.7	0	0	0	112.1	V62 V64 L75 C76 R81 R82 G83 F84 V86 E300 L303	V62-L79 HydrophobicContact CB-CD1 4.18Å; V62-L79 HydrophobicContact CG1-CD1 3.81Å; V64-L79 HydrophobicContact CG2-CD1 4.36Å; L75-L79 HydrophobicContact CD1-CD1 4.01Å; L75-L79 HydrophobicContact CD1-CD2 4.15Å; L75-L79 HydrophobicContact CD1-CG 3.83Å; L75-L79 HydrophobicContact CD2-CD1 4.2Å; L75-L79 HydrophobicContact CG-CD1 3.76Å; L75-L79 HydrophobicContact CG-CG 4Å; L75-L79 WeakPolarHBondContact O-CG 2.81Å; L75-L79 PolarHBondContact O-N 3.17Å; C76-L79 PolarHBondContact O-N 2.98Å; L79-R81 VanDerWaalsContact C-N 3.35Å; L79-R81 PolarHBondContact O-N 3.47Å; L79-R82 CarbonylContact O-C 3.57Å; L79-R82 WeakPolarHBondContact O-CA 3.34Å; L79-R82 PolarHBondContact O-N 2.99Å; L79-G83 PolarHBondContact O-N 3.04Å; L79-F84 HydrophobicContact CB-CB 4.07Å; L79-F84 HydrophobicContact CB-CD2 4.12Å; L79-F84 HydrophobicContact CB-CG 4.37Å; L79-F84 HydrophobicContact CD2-CD2 3.72Å; L79-F84 HydrophobicContact CD2-CE2 3.83Å; L79-F84 HydrophobicContact CD2-CG 4.42Å; L79-F84 HydrophobicContact CG-CD2 4.48Å; L79-F84 WeakPolarHBondContact O-CB 3.26Å; L79-F84 PolarHBondContact O-N 3.09Å; L79-V86 HydrophobicContact CB-CG2 3.58Å; L79-E300 HydrophobicContact CD2-CG 4.27Å; L79-L303 HydrophobicContact CD1-CD1 3.7Å; L79-L303 HydrophobicContact CD2-CD1 3.87Å; L79-L303 HydrophobicContact CG-CD1 4.42Å
80	D	96.6	Very high	97.6	Very high	21 Å²	21	29.8 Å²	29.8	11%	0.112	14%	0.137	C	C	.	.	H	α-helix	trans	-58.7	-45.6	174.9	-179.2	60.8	0	0	0	111.2	C76 R82 G83 V86 G104 L107	C76-D80 WeakPolarHBondContact O-CB 3.1Å; C76-D80 PolarHBondContact O-N 3.27Å; D80-R82 PolarHBondContact O-N 2.86Å; D80-G83 PolarHBondContact O-N 3.19Å; D80-V86 HydrophobicContact CB-CG2 4.38Å; D80-G104 PolarHBondContact OD2-N 2.94Å; D80-L107 HydrophobicContact CB-CB 4.46Å; D80-L107 HydrophobicContact CB-CD1 4.37Å
81	R	95.3	Very high	97.7	Very high	185 Å²	185	34 Å²	34	70%	0.698	15%	0.154	S	C	*	.	H	α-helix	trans	-64.2	-25.1	173.8	-76.2	-177.3	-73.8	163.8	-4.9	114.2	K77 K78 L79 G83	K77-R81 WeakPolarHBondContact O-CG 3.4Å; K77-R81 PolarHBondContact O-N 3.46Å; K77-R81 PolarHBondContact O-NE 3.02Å; K78-R81 PolarHBondContact O-N 3.35Å; L79-R81 VanDerWaalsContact C-N 3.35Å; L79-R81 PolarHBondContact O-N 3.47Å; R81-G83 VanDerWaalsContact C-N 3.26Å
82	R	94.9	Very high	97.7	Very high	97 Å²	97	35.9 Å²	35.9	37%	0.366	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-0.7	174.9	-68.9	-77.6	-78.1	142.9	-1.6	112.8	E53 K78 L79 D80 F84 E300	E53-R82 IonicContact OE1-NH2 2.64Å; E53-R82 PolarHBondContact OE1-NH2 2.74Å; E53-R82 IonicContact OE2-CZ 3.45Å; E53-R82 IonicContact OE2-NH2 3.88Å; E53-R82 PolarHBondContact OE2-NH2 3.42Å; K78-R82 WeakPolarHBondContact O-CG 3.4Å; K78-R82 PolarHBondContact O-N 3.18Å; K78-R82 VanDerWaalsContact O-N 3.09Å; L79-R82 CarbonylContact O-C 3.57Å; L79-R82 WeakPolarHBondContact O-CA 3.34Å; L79-R82 PolarHBondContact O-N 2.99Å; D80-R82 PolarHBondContact O-N 2.86Å; R82-F84 HydrophobicContact CB-CD2 4.15Å; R82-F84 HydrophobicContact CB-CE2 4.5Å; R82-E300 WeakPolarHBondContact CD-OE1 3.39Å; R82-E300 WeakPolarHBondContact CG-OE1 3.31Å; R82-E300 IonicContact CZ-OE1 3.44Å; R82-E300 IonicContact NE-OE1 2.74Å; R82-E300 PolarHBondContact NE-OE1 3.35Å
83	G	95.3	Very high	97.7	Very high	26 Å²	26	42.5 Å²	42.5	27%	0.268	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.7	0.2	176.5	0	0	0	0	0	114.6	S58 L79 D80 R81	S58-G83 VanDerWaalsContact CA-O 3.26Å; S58-G83 WeakPolarHBondContact CA-O 3.32Å; L79-G83 PolarHBondContact O-N 3.04Å; D80-G83 PolarHBondContact O-N 3.19Å; R81-G83 VanDerWaalsContact C-N 3.26Å
84	F	97.8	Very high	97.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.225	C	C	.	.			trans	-62.5	153.7	176.7	-78.7	-85.9	0	0	0	112	L57 K60 V62 L79 R82 V86 W137 T304	L57-F84 HydrophobicContact CB-CD2 4.36Å; L57-F84 HydrophobicContact CB-CE1 4.48Å; L57-F84 HydrophobicContact CB-CE2 4.18Å; L57-F84 HydrophobicContact CB-CZ 4.27Å; L57-F84 HydrophobicContact CD1-CE2 3.91Å; L57-F84 HydrophobicContact CD1-CZ 4.35Å; L57-F84 HydrophobicContact CD2-CE1 4.27Å; L57-F84 HydrophobicContact CD2-CE2 4.11Å; L57-F84 HydrophobicContact CD2-CZ 3.68Å; L57-F84 HydrophobicContact CG-CE2 4.29Å; L57-F84 HydrophobicContact CG-CZ 4.31Å; K60-F84 HydrophobicContact CB-CD1 3.63Å; K60-F84 HydrophobicContact CB-CE1 3.58Å; K60-F84 HydrophobicContact CG-CE1 4.26Å; V62-F84 HydrophobicContact CG2-CD1 3.56Å; V62-F84 HydrophobicContact CG2-CE1 3.84Å; V62-F84 HydrophobicContact CG2-CG 4.27Å; L79-F84 HydrophobicContact CB-CB 4.07Å; L79-F84 HydrophobicContact CB-CD2 4.12Å; L79-F84 HydrophobicContact CB-CG 4.37Å; L79-F84 HydrophobicContact CD2-CD2 3.72Å; L79-F84 HydrophobicContact CD2-CE2 3.83Å; L79-F84 HydrophobicContact CD2-CG 4.42Å; L79-F84 HydrophobicContact CG-CD2 4.48Å; L79-F84 WeakPolarHBondContact O-CB 3.26Å; L79-F84 PolarHBondContact O-N 3.09Å; R82-F84 HydrophobicContact CB-CD2 4.15Å; R82-F84 HydrophobicContact CB-CE2 4.5Å; F84-V86 HydrophobicContact CB-CG2 4.11Å; F84-V86 PolarHBondContact O-N 2.91Å; F84-W137 AromaticContact CE1-CD1 3.82Å; F84-T304 HydrophobicContact CE2-CG2 3.79Å; F84-T304 HydrophobicContact CZ-CG2 3.87Å
85	R	98.3	Very high	97.6	Very high	70 Å²	70	47 Å²	47	26%	0.264	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	102.5	167	-63.2	175.5	178.5	-102.1	-4.8	108.8	S58 K60 Y61 V62 H106	S58-R85 PolarHBondContact O-NE 2.85Å; K60-R85 PolarHBondContact O-N 3.1Å; Y61-R85 CarbonylContact C-O 3.54Å; Y61-R85 VanDerWaalsContact CA-O 3.26Å; Y61-R85 WeakPolarHBondContact CA-O 3.47Å; Y61-R85 HydrophobicContact CD1-CB 3.54Å; Y61-R85 HydrophobicContact CD2-CB 4.34Å; Y61-R85 HydrophobicContact CE1-CB 3.72Å; Y61-R85 HydrophobicContact CE1-CG 4.32Å; Y61-R85 HydrophobicContact CE2-CB 4.46Å; Y61-R85 VanDerWaalsContact CE2-CD 3.43Å; Y61-R85 HydrophobicContact CG-CB 3.9Å; V62-R85 PolarHBondContact N-O 3.27Å; R85-H106 CarbonylContact C-O 3.5Å; R85-H106 WeakPolarHBondContact CA-O 3.32Å
86	V	98.6	Very high	97.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128.9	-170.9	-176.2	0	0	0	0	110.5	C76 L79 D80 F84 H106 L107 K108	C76-V86 HydrophobicContact CB-CG1 4.06Å; L79-V86 HydrophobicContact CB-CG2 3.58Å; D80-V86 HydrophobicContact CB-CG2 4.38Å; F84-V86 HydrophobicContact CB-CG2 4.11Å; F84-V86 PolarHBondContact O-N 2.91Å; V86-H106 PolarHBondContact N-O 3.34Å; V86-L107 HydrophobicContact CB-CB 4.24Å; V86-L107 HydrophobicContact CB-CD1 3.98Å; V86-L107 HydrophobicContact CB-CG 3.96Å; V86-L107 HydrophobicContact CG1-CD1 3.89Å; V86-L107 HydrophobicContact CG1-CG 4.11Å; V86-L107 CarbonylContact O-C 3.6Å; V86-L107 WeakPolarHBondContact O-CA 3.31Å; V86-K108 PolarHBondContact O-N 2.67Å
87	L	98.8	Very high	97.5	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	102.1	174.4	-56.1	-178.8	0	0	0	107.9	Y61 V62 F63 V64 K108 W126 T127 E130 V131	Y61-L87 HydrophobicContact CD1-CD1 4.12Å; Y61-L87 HydrophobicContact CD1-CD2 4.36Å; Y61-L87 HydrophobicContact CD1-CG 4.25Å; V62-L87 PolarHBondContact O-N 3.39Å; F63-L87 CarbonylContact C-O 3.58Å; F63-L87 VanDerWaalsContact CA-O 3.25Å; F63-L87 WeakPolarHBondContact CA-O 3.37Å; F63-L87 HydrophobicContact CB-CB 4.46Å; F63-L87 HydrophobicContact CD2-CB 3.68Å; F63-L87 HydrophobicContact CD2-CD1 4.42Å; F63-L87 HydrophobicContact CE2-CB 4.31Å; F63-L87 HydrophobicContact CG-CB 4.38Å; V64-L87 PolarHBondContact N-O 3.28Å; L87-K108 CarbonylContact C-O 3.59Å; L87-K108 WeakPolarHBondContact CA-O 3.39Å; L87-K108 HydrophobicContact CD2-CB 4.2Å; L87-W126 HydrophobicContact CB-CH2 4.08Å; L87-W126 HydrophobicContact CB-CZ3 3.87Å; L87-W126 HydrophobicContact CD1-CZ3 4.33Å; L87-W126 HydrophobicContact CD2-CH2 3.58Å; L87-W126 HydrophobicContact CD2-CZ2 4.3Å; L87-W126 HydrophobicContact CD2-CZ3 4.02Å; L87-W126 HydrophobicContact CG-CH2 4.29Å; L87-W126 HydrophobicContact CG-CZ3 4.28Å; L87-T127 HydrophobicContact CD1-CG2 3.69Å; L87-E130 HydrophobicContact CD1-CB 4.15Å; L87-E130 HydrophobicContact CD2-CB 4.16Å; L87-E130 HydrophobicContact CD2-CG 4.24Å; L87-V131 HydrophobicContact CD1-CG1 4.12Å
88	A	98.8	Very high	97.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	113	-170.8	0	0	0	0	0	111.5	C67 L99 L107 K108 T109 V110	C67-A88 HydrophobicContact CB-CB 3.95Å; A88-L99 HydrophobicContact CB-CD2 3.69Å; A88-L107 HydrophobicContact CB-CD2 4.34Å; A88-K108 PolarHBondContact N-O 2.96Å; A88-T109 HydrophobicContact CB-CG2 4.11Å; A88-T109 CarbonylContact O-C 3.58Å; A88-T109 VanDerWaalsContact O-CA 3.31Å; A88-T109 WeakPolarHBondContact O-CA 3.4Å; A88-V110 PolarHBondContact O-N 3.04Å
89	G	98.8	Very high	97.5	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	112.6	170.5	0	0	0	0	0	111.2	V64 G66 C67 V110	V64-G89 PolarHBondContact O-N 2.7Å; G66-G89 PolarHBondContact N-O 2.87Å; C67-G89 PolarHBondContact N-O 3.37Å; G89-V110 WeakPolarHBondContact CA-O 3.22Å
90	C	98.6	Very high	97.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.1	176.3	-62.6	0	0	0	0	110.4	C67 D68 A96 V110 L111 L112	C67-C90 VanDerWaalsContact CB-SG 3.59Å; D68-C90 WeakPolarHBondContact OD2-CA 3.48Å; C90-A96 HydrophobicContact CB-CB 3.92Å; C90-V110 PolarHBondContact N-O 3.31Å; C90-L111 CarbonylContact O-C 3.51Å; C90-L111 VanDerWaalsContact O-CA 3.3Å; C90-L111 WeakPolarHBondContact O-CA 3.25Å; C90-L112 PolarHBondContact O-N 3.4Å
91	L	98	Very high	97.3	Very high	111 Å²	111	61.9 Å²	61.9	58%	0.581	28%	0.284	S	S	*	.	S	Bend	trans	-74.4	-32.4	176	-177.3	62	0	0	0	111.6	D68 D113	D68-L91 PolarHBondContact OD1-N 2.95Å; D68-L91 PolarHBondContact OD2-N 3.19Å; L91-D113 HydrophobicContact CD1-CB 4.05Å
92	T	98	Very high	97.2	Very high	65 Å²	65	57.4 Å²	57.4	40%	0.399	28%	0.277	S	S	.	.	S	Bend	trans	-118.5	148.1	-174.4	68.5	0	0	0	0	112.3	D68 K94 G95 A96	D68-T92 WeakPolarHBondContact OD1-CB 3.24Å; D68-T92 PolarHBondContact OD1-N 2.89Å; D68-T92 PolarHBondContact OD1-OG1 2.77Å; T92-K94 VanDerWaalsContact C-N 3.33Å; T92-K94 PolarHBondContact O-N 3.37Å; T92-G95 PolarHBondContact O-N 3.19Å; T92-G95 PolarHBondContact OG1-N 3.42Å; T92-A96 PolarHBondContact O-N 3Å
93	E	97.6	Very high	97.1	Very high	139 Å²	139	53.9 Å²	53.9	65%	0.65	27%	0.267	S	S	*	.	H	α-helix	trans	-59.7	-44.6	173.8	-70.1	-177.9	167.3	0	0	111.3	G95 A96 D97 L111	E93-G95 VanDerWaalsContact C-N 3.35Å; E93-G95 PolarHBondContact O-N 2.85Å; E93-A96 WeakPolarHBondContact O-CB 3.33Å; E93-A96 PolarHBondContact O-N 2.81Å; E93-A96 VanDerWaalsContact O-N 3.12Å; E93-D97 PolarHBondContact O-N 3.13Å; E93-L111 HydrophobicContact CG-CD1 3.86Å; E93-L111 HydrophobicContact CG-CD2 4.02Å; E93-L111 HydrophobicContact CG-CG 4.48Å
94	K	97.5	Very high	96.9	Very high	150 Å²	150	54 Å²	54	65%	0.652	27%	0.268	S	S	*	.	H	α-helix	trans	-56.1	-48.2	175.6	-177.4	179.8	177.2	-178.4	0	111.8	T92 A96 D97 D98	T92-K94 VanDerWaalsContact C-N 3.33Å; T92-K94 PolarHBondContact O-N 3.37Å; K94-A96 VanDerWaalsContact C-N 3.3Å; K94-A96 PolarHBondContact O-N 2.81Å; K94-D97 PolarHBondContact O-N 3.16Å; K94-D98 VanDerWaalsContact O-CB 3.23Å; K94-D98 WeakPolarHBondContact O-CB 3.46Å; K94-D98 PolarHBondContact O-N 3.33Å
95	G	97	Very high	96.4	Very high	5 Å²	5	59.4 Å²	59.4	5%	0.052	30%	0.303	C	S	.	.	H	α-helix	trans	-61.6	-38.1	178	0	0	0	0	0	112.7	T92 E93 L99	T92-G95 PolarHBondContact O-N 3.19Å; T92-G95 PolarHBondContact OG1-N 3.42Å; E93-G95 VanDerWaalsContact C-N 3.35Å; E93-G95 PolarHBondContact O-N 2.85Å; G95-L99 WeakPolarHBondContact O-CB 3.34Å; G95-L99 PolarHBondContact O-N 3.03Å; G95-L99 VanDerWaalsContact O-N 3.16Å
96	A	97.5	Very high	96	Very high	7 Å²	7	60.5 Å²	60.5	6%	0.058	31%	0.311	C	S	.	.	H	α-helix	trans	-64	-49.2	173.9	0	0	0	0	0	112.1	C90 T92 E93 K94 L99 K100 T109	C90-A96 HydrophobicContact CB-CB 3.92Å; T92-A96 PolarHBondContact O-N 3Å; E93-A96 WeakPolarHBondContact O-CB 3.33Å; E93-A96 PolarHBondContact O-N 2.81Å; E93-A96 VanDerWaalsContact O-N 3.12Å; K94-A96 VanDerWaalsContact C-N 3.3Å; K94-A96 PolarHBondContact O-N 2.81Å; A96-L99 PolarHBondContact O-N 3.12Å; A96-K100 WeakPolarHBondContact O-CB 3.42Å; A96-K100 PolarHBondContact O-N 3.36Å; A96-T109 HydrophobicContact CB-CG2 4.31Å; A96-T109 WeakPolarHBondContact O-CG2 3.34Å
97	D	97.3	Very high	96	Very high	84 Å²	84	60.8 Å²	60.8	45%	0.449	31%	0.312	S	S	.	.	H	α-helix	trans	-67.8	-43.5	-178.5	-71.6	-21.7	0	0	0	112	E93 K94 L99 K100 R101	E93-D97 PolarHBondContact O-N 3.13Å; K94-D97 PolarHBondContact O-N 3.16Å; D97-L99 VanDerWaalsContact C-N 3.3Å; D97-L99 PolarHBondContact O-N 3.39Å; D97-K100 PolarHBondContact O-N 3.23Å; D97-R101 WeakPolarHBondContact O-CG 3.24Å; D97-R101 PolarHBondContact O-N 3.5Å
98	D	96.9	Very high	95.9	Very high	56 Å²	56	64.8 Å²	64.8	30%	0.299	33%	0.33	S	S	.	.	H	α-helix	trans	-58.8	-43.2	177.4	-70.6	3.2	0	0	0	111	K94 R101 V102	K94-D98 VanDerWaalsContact O-CB 3.23Å; K94-D98 WeakPolarHBondContact O-CB 3.46Å; K94-D98 PolarHBondContact O-N 3.33Å; D98-R101 IonicContact OD1-CZ 3.24Å; D98-R101 IonicContact OD1-NH1 3.49Å; D98-R101 PolarHBondContact OD1-NH1 2.8Å; D98-R101 IonicContact OD1-NH2 3.97Å; D98-R101 PolarHBondContact OD1-NH2 2.86Å; D98-V102 WeakPolarHBondContact O-CG2 3.32Å
99	L	97.1	Very high	95.9	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-66.8	-47.3	176.7	-179.9	57.6	0	0	0	111.4	C67 C76 K77 A88 G95 A96 D97 R101 V102 T103 L107 T109	C67-L99 HydrophobicContact CB-CD2 3.88Å; C76-L99 HydrophobicContact CB-CD1 4.23Å; C76-L99 HydrophobicContact CB-CD2 4.02Å; K77-L99 HydrophobicContact CG-CD1 4.05Å; A88-L99 HydrophobicContact CB-CD2 3.69Å; G95-L99 WeakPolarHBondContact O-CB 3.34Å; G95-L99 PolarHBondContact O-N 3.03Å; G95-L99 VanDerWaalsContact O-N 3.16Å; A96-L99 PolarHBondContact O-N 3.12Å; D97-L99 VanDerWaalsContact C-N 3.3Å; D97-L99 PolarHBondContact O-N 3.39Å; L99-R101 VanDerWaalsContact C-N 3.28Å; L99-R101 PolarHBondContact O-N 3.43Å; L99-V102 VanDerWaalsContact O-CG2 3.3Å; L99-V102 WeakPolarHBondContact O-CG2 3.24Å; L99-V102 PolarHBondContact O-N 3.39Å; L99-V102 VanDerWaalsContact O-N 3.17Å; L99-T103 HydrophobicContact CD1-CG2 3.77Å; L99-T103 HydrophobicContact CG-CG2 4.43Å; L99-T103 WeakPolarHBondContact O-CG2 3.34Å; L99-T103 PolarHBondContact O-N 3Å; L99-T103 PolarHBondContact O-OG1 2.84Å; L99-L107 HydrophobicContact CD1-CD1 4.41Å; L99-L107 HydrophobicContact CD2-CD1 4.43Å; L99-L107 HydrophobicContact CD2-CD2 4.25Å; L99-L107 HydrophobicContact CG-CD1 4.35Å; L99-L107 HydrophobicContact CG-CD2 4.06Å; L99-T109 HydrophobicContact CD2-CG2 4.35Å
100	K	95.3	Very high	95.9	Very high	126 Å²	126	67.5 Å²	67.5	55%	0.548	35%	0.346	S	S	.	.	H	α-helix	trans	-60.2	-36.6	-179.2	-173.2	178.4	178.8	-176.6	0	112.6	A96 D97 V102 T103 T109	A96-K100 WeakPolarHBondContact O-CB 3.42Å; A96-K100 PolarHBondContact O-N 3.36Å; D97-K100 PolarHBondContact O-N 3.23Å; K100-V102 PolarHBondContact O-N 2.9Å; K100-T103 PolarHBondContact O-OG1 2.73Å; K100-T109 HydrophobicContact CB-CG2 4.44Å
101	R	95.1	Very high	95.9	Very high	176 Å²	176	71.4 Å²	71.4	66%	0.664	37%	0.366	S	S	*	.	H	α-helix	trans	-66.1	-21.6	179.4	-75.1	-167.4	-50.9	-93.9	5.4	114.2	D97 D98 L99	D97-R101 WeakPolarHBondContact O-CG 3.24Å; D97-R101 PolarHBondContact O-N 3.5Å; D98-R101 IonicContact OD1-CZ 3.24Å; D98-R101 IonicContact OD1-NH1 3.49Å; D98-R101 PolarHBondContact OD1-NH1 2.8Å; D98-R101 IonicContact OD1-NH2 3.97Å; D98-R101 PolarHBondContact OD1-NH2 2.86Å; L99-R101 VanDerWaalsContact C-N 3.28Å; L99-R101 PolarHBondContact O-N 3.43Å
102	V	93.6	Very high	95.9	Very high	91 Å²	91	66.6 Å²	66.6	55%	0.552	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.3	12.4	-173.8	-57.8	0	0	0	0	113.1	D98 L99 K100	D98-V102 WeakPolarHBondContact O-CG2 3.32Å; L99-V102 VanDerWaalsContact O-CG2 3.3Å; L99-V102 WeakPolarHBondContact O-CG2 3.24Å; L99-V102 PolarHBondContact O-N 3.39Å; L99-V102 VanDerWaalsContact O-N 3.17Å; K100-V102 PolarHBondContact O-N 2.9Å
103	T	93.9	Very high	96	Very high	23 Å²	23	66.1 Å²	66.1	14%	0.141	34%	0.336	C	S	.	.	S	Bend	trans	-131.4	161.8	-177.1	57.2	0	0	0	0	111.2	K77 L99 K100 L107	K77-T103 HydrophobicContact CG-CG2 3.88Å; L99-T103 HydrophobicContact CD1-CG2 3.77Å; L99-T103 HydrophobicContact CG-CG2 4.43Å; L99-T103 WeakPolarHBondContact O-CG2 3.34Å; L99-T103 PolarHBondContact O-N 3Å; L99-T103 PolarHBondContact O-OG1 2.84Å; K100-T103 PolarHBondContact O-OG1 2.73Å; T103-L107 HydrophobicContact CG2-CD1 3.68Å
104	G	90.3	Very high	96	Very high	29 Å²	29	60.2 Å²	60.2	30%	0.299	31%	0.309	S	S	.	.			trans	-75.6	179.5	-179.2	0	0	0	0	0	114.6	D80 H106 L107	D80-G104 PolarHBondContact OD2-N 2.94Å; G104-H106 PolarHBondContact O-N 3.2Å; G104-H106 VanDerWaalsContact O-N 3.15Å; G104-L107 PolarHBondContact O-N 3.4Å
105	P	88.4	Confident	96.1	Very high	113 Å²	113	54.8 Å²	54.8	73%	0.734	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-11.7	-177.2	29.6	-36.8	0	0	0	113.9	L107	P105-L107 VanDerWaalsContact C-N 3.34Å
106	H	89.6	Confident	96.1	Very high	92 Å²	92	56.2 Å²	56.2	43%	0.426	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-9.2	179.4	-61.4	-52.4	0	0	0	113.1	R85 V86 G104	R85-H106 CarbonylContact C-O 3.5Å; R85-H106 WeakPolarHBondContact CA-O 3.32Å; V86-H106 PolarHBondContact N-O 3.34Å; G104-H106 PolarHBondContact O-N 3.2Å; G104-H106 VanDerWaalsContact O-N 3.15Å
107	L	97.2	Very high	96.2	Very high	6 Å²	6	60.8 Å²	60.8	3%	0.031	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126.7	171.4	-170.6	149.1	0	0	0	111.1	C76 D80 V86 A88 L99 T103 G104 P105 T109	C76-L107 HydrophobicContact CB-CD1 3.71Å; D80-L107 HydrophobicContact CB-CB 4.46Å; D80-L107 HydrophobicContact CB-CD1 4.37Å; V86-L107 HydrophobicContact CB-CB 4.24Å; V86-L107 HydrophobicContact CB-CD1 3.98Å; V86-L107 HydrophobicContact CB-CG 3.96Å; V86-L107 HydrophobicContact CG1-CD1 3.89Å; V86-L107 HydrophobicContact CG1-CG 4.11Å; V86-L107 CarbonylContact O-C 3.6Å; V86-L107 WeakPolarHBondContact O-CA 3.31Å; A88-L107 HydrophobicContact CB-CD2 4.34Å; L99-L107 HydrophobicContact CD1-CD1 4.41Å; L99-L107 HydrophobicContact CD2-CD1 4.43Å; L99-L107 HydrophobicContact CD2-CD2 4.25Å; L99-L107 HydrophobicContact CG-CD1 4.35Å; L99-L107 HydrophobicContact CG-CD2 4.06Å; T103-L107 HydrophobicContact CG2-CD1 3.68Å; G104-L107 PolarHBondContact O-N 3.4Å; P105-L107 VanDerWaalsContact C-N 3.34Å; L107-T109 HydrophobicContact CD2-CG2 3.81Å
108	K	98.2	Very high	96.2	Very high	87 Å²	87	61 Å²	61	38%	0.378	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	145.4	172.9	-62.9	-179.2	172.9	-176.2	0	110	V86 L87 A88 W126 E130	V86-K108 PolarHBondContact O-N 2.67Å; L87-K108 CarbonylContact C-O 3.59Å; L87-K108 WeakPolarHBondContact CA-O 3.39Å; L87-K108 HydrophobicContact CD2-CB 4.2Å; A88-K108 PolarHBondContact N-O 2.96Å; K108-W126 HydrophobicContact CB-CH2 3.84Å; K108-W126 HydrophobicContact CB-CZ2 3.76Å; K108-W126 HydrophobicContact CD-CZ2 4.28Å; K108-E130 WeakPolarHBondContact CD-OE2 3.48Å; K108-E130 WeakPolarHBondContact CE-OE2 3.41Å; K108-E130 IonicContact NZ-OE1 2.58Å; K108-E130 PolarHBondContact NZ-OE1 2.92Å; K108-E130 IonicContact NZ-OE2 3.9Å; K108-E130 PolarHBondContact NZ-OE2 3.44Å
109	T	98.4	Very high	96.3	Very high	32 Å²	32	59.5 Å²	59.5	20%	0.196	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	148.6	-179.8	52.1	0	0	0	0	111.3	A88 A96 L99 K100 L107	A88-T109 HydrophobicContact CB-CG2 4.11Å; A88-T109 CarbonylContact O-C 3.58Å; A88-T109 VanDerWaalsContact O-CA 3.31Å; A88-T109 WeakPolarHBondContact O-CA 3.4Å; A96-T109 HydrophobicContact CB-CG2 4.31Å; A96-T109 WeakPolarHBondContact O-CG2 3.34Å; L99-T109 HydrophobicContact CD2-CG2 4.35Å; K100-T109 HydrophobicContact CB-CG2 4.44Å; L107-T109 HydrophobicContact CD2-CG2 3.81Å
110	V	98.5	Very high	96.4	Very high	26 Å²	26	59.6 Å²	59.6	16%	0.158	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	144	173.4	66	0	0	0	0	109.1	F63 A88 G89 C90 A123 W126	F63-V110 HydrophobicContact CE2-CG1 3.98Å; F63-V110 HydrophobicContact CZ-CG1 3.96Å; A88-V110 PolarHBondContact O-N 3.04Å; G89-V110 WeakPolarHBondContact CA-O 3.22Å; C90-V110 PolarHBondContact N-O 3.31Å; V110-A123 HydrophobicContact CG1-CB 4.41Å; V110-W126 HydrophobicContact CB-CD2 4.22Å; V110-W126 HydrophobicContact CB-CE3 3.81Å; V110-W126 HydrophobicContact CB-CH2 4.14Å; V110-W126 HydrophobicContact CB-CZ3 3.76Å; V110-W126 HydrophobicContact CG1-CE3 3.86Å; V110-W126 HydrophobicContact CG1-CH2 4.35Å; V110-W126 HydrophobicContact CG1-CZ3 3.63Å; V110-W126 HydrophobicContact CG2-CD2 4.24Å; V110-W126 HydrophobicContact CG2-CE3 4.1Å
111	L	98.7	Very high	96.6	Very high	82 Å²	82	57.1 Å²	57.1	43%	0.429	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	131.4	171.7	-67.7	-179.8	0	0	0	110.2	C90 E93	C90-L111 CarbonylContact O-C 3.51Å; C90-L111 VanDerWaalsContact O-CA 3.3Å; C90-L111 WeakPolarHBondContact O-CA 3.25Å; E93-L111 HydrophobicContact CG-CD1 3.86Å; E93-L111 HydrophobicContact CG-CD2 4.02Å; E93-L111 HydrophobicContact CG-CG 4.48Å
112	L	98.8	Very high	96.8	Very high	9 Å²	9	51.7 Å²	51.7	5%	0.047	30%	0.304	C	S	.	.			trans	-145.7	116.2	-175.9	179.7	66.2	0	0	0	111.7	F63 T65 C90 V114 I120 A123 M174	F63-L112 HydrophobicContact CE1-CD2 3.72Å; F63-L112 HydrophobicContact CZ-CD2 3.94Å; T65-L112 HydrophobicContact CG2-CD2 3.78Å; C90-L112 PolarHBondContact O-N 3.4Å; L112-V114 HydrophobicContact CD2-CG1 3.99Å; L112-V114 HydrophobicContact CG-CG1 4.08Å; L112-I120 HydrophobicContact CD1-CG1 4.26Å; L112-A123 HydrophobicContact CD1-CB 3.9Å; L112-M174 HydrophobicContact CD1-SD 3.97Å; L112-M174 HydrophobicContact CD2-CE 3.98Å; L112-M174 HydrophobicContact CD2-SD 3.97Å
113	D	98.7	Very high	97	Very high	56 Å²	56	47.4 Å²	47.4	30%	0.299	28%	0.278	S	S	.	.			trans	-103.6	107.3	161.5	177.8	4.4	0	0	0	109.3	L91 T115 S116 S119	L91-D113 HydrophobicContact CD1-CB 4.05Å; D113-T115 PolarHBondContact O-N 3.32Å; D113-T115 WeakPolarHBondContact OD1-CA 3.02Å; D113-T115 VanDerWaalsContact OD1-CB 3.31Å; D113-T115 WeakPolarHBondContact OD1-CB 3.45Å; D113-T115 WeakPolarHBondContact OD1-CG2 3.37Å; D113-T115 PolarHBondContact OD1-N 2.84Å; D113-T115 PolarHBondContact OD1-OG1 3.07Å; D113-T115 PolarHBondContact OD2-OG1 2.92Å; D113-T115 VanDerWaalsContact OD2-OG1 3.08Å; D113-S116 PolarHBondContact O-N 3.24Å; D113-S119 PolarHBondContact N-OG 3.22Å
114	V	98.7	Very high	97.2	Very high	14 Å²	14	47.5 Å²	47.5	9%	0.085	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-6.5	179	-59.3	0	0	0	0	113.5	T65 L112 A143 V166 G170 M174	T65-V114 HydrophobicContact CG2-CG1 4.38Å; L112-V114 HydrophobicContact CD2-CG1 3.99Å; L112-V114 HydrophobicContact CG-CG1 4.08Å; V114-A143 HydrophobicContact CG1-CB 4.03Å; V114-A143 HydrophobicContact CG2-CB 4.13Å; V114-V166 HydrophobicContact CG2-CG1 3.92Å; V114-G170 VanDerWaalsContact O-CA 3.24Å; V114-G170 WeakPolarHBondContact O-CA 3.29Å; V114-M174 HydrophobicContact CB-CG 4.38Å; V114-M174 HydrophobicContact CG1-CG 3.92Å; V114-M174 HydrophobicContact CG1-SD 4.22Å
115	T	98.4	Very high	97.6	Very high	37 Å²	37	49.5 Å²	49.5	23%	0.227	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-3.9	174.3	84.2	0	0	0	0	113.6	D113 K165 V166	D113-T115 PolarHBondContact O-N 3.32Å; D113-T115 WeakPolarHBondContact OD1-CA 3.02Å; D113-T115 VanDerWaalsContact OD1-CB 3.31Å; D113-T115 WeakPolarHBondContact OD1-CB 3.45Å; D113-T115 WeakPolarHBondContact OD1-CG2 3.37Å; D113-T115 PolarHBondContact OD1-N 2.84Å; D113-T115 PolarHBondContact OD1-OG1 3.07Å; D113-T115 PolarHBondContact OD2-OG1 2.92Å; D113-T115 VanDerWaalsContact OD2-OG1 3.08Å; T115-K165 HydrophobicContact CG2-CD 4.16Å; T115-K165 HydrophobicContact CG2-CG 4.11Å; T115-K165 WeakPolarHBondContact O-CE 3.25Å; T115-K165 PolarHBondContact O-NZ 3.08Å; T115-K165 PolarHBondContact OG1-NZ 2.82Å; T115-V166 HydrophobicContact CG2-CB 4.34Å; T115-V166 HydrophobicContact CG2-CG2 3.48Å; T115-V166 VanDerWaalsContact CG2-CG2 3.48Å
116	S	98.6	Very high	98.1	Very high	34 Å²	34	47 Å²	47	24%	0.238	26%	0.255	C	S	.	.			trans	-117.5	112.1	-176.8	175.1	0	0	0	0	110.9	D113 S118 S119 I120	D113-S116 PolarHBondContact O-N 3.24Å; S116-S118 PolarHBondContact O-N 3.24Å; S116-S118 PolarHBondContact OG-OG 3.41Å; S116-S118 VanDerWaalsContact OG-OG 3.09Å; S116-S119 WeakPolarHBondContact O-CB 3.38Å; S116-S119 PolarHBondContact O-N 3.36Å; S116-S119 VanDerWaalsContact O-N 3.08Å; S116-S119 PolarHBondContact OG-N 3.18Å; S116-I120 WeakPolarHBondContact O-CG1 3.3Å; S116-I120 PolarHBondContact O-N 3.15Å
117	Q	98.2	Very high	98.6	Very high	104 Å²	104	42.7 Å²	42.7	49%	0.486	24%	0.235	S	C	.	.	H	α-helix	trans	-60.2	-34.2	-179	-172.6	60	38.9	0	0	112.6	I120 Q121 T177	Q117-I120 PolarHBondContact O-N 3.45Å; Q117-Q121 WeakPolarHBondContact O-CB 3Å; Q117-Q121 PolarHBondContact O-N 2.58Å; Q117-T177 PolarHBondContact NE2-OG1 2.78Å
118	S	98.5	Very high	98.6	Very high	88 Å²	88	47.5 Å²	47.5	62%	0.615	26%	0.255	S	S	*	.	H	α-helix	trans	-68.4	-37.8	176.4	57	0	0	0	0	112.1	S116 Q121 A122	S116-S118 PolarHBondContact O-N 3.24Å; S116-S118 PolarHBondContact OG-OG 3.41Å; S116-S118 VanDerWaalsContact OG-OG 3.09Å; S118-Q121 PolarHBondContact O-N 2.82Å; S118-A122 WeakPolarHBondContact O-CB 3.46Å; S118-A122 PolarHBondContact O-N 3.44Å
119	S	98.8	Very high	98.6	Very high	25 Å²	25	51.5 Å²	51.5	18%	0.175	27%	0.273	C	S	.	.	H	α-helix	trans	-64.1	-45.1	173.8	-176.5	0	0	0	0	111.3	D113 S116 Q121 A122 A123	D113-S119 PolarHBondContact N-OG 3.22Å; S116-S119 WeakPolarHBondContact O-CB 3.38Å; S116-S119 PolarHBondContact O-N 3.36Å; S116-S119 VanDerWaalsContact O-N 3.08Å; S116-S119 PolarHBondContact OG-N 3.18Å; S119-Q121 VanDerWaalsContact C-N 3.35Å; S119-Q121 PolarHBondContact O-N 3.4Å; S119-A122 PolarHBondContact O-N 3.28Å; S119-A123 WeakPolarHBondContact O-CB 3.31Å; S119-A123 PolarHBondContact O-N 2.93Å
120	I	98.9	Very high	98.6	Very high	2 Å²	2	52 Å²	52	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-59.6	-45.3	175.7	-62.8	175.4	0	0	0	110.9	L112 S116 Q117 A123 M124 A173 M174 T177 F178	L112-I120 HydrophobicContact CD1-CG1 4.26Å; S116-I120 WeakPolarHBondContact O-CG1 3.3Å; S116-I120 PolarHBondContact O-N 3.15Å; Q117-I120 PolarHBondContact O-N 3.45Å; I120-A123 PolarHBondContact O-N 3.01Å; I120-M124 WeakPolarHBondContact O-CB 3.4Å; I120-M124 PolarHBondContact O-N 3.32Å; I120-A173 HydrophobicContact CD1-CB 3.57Å; I120-M174 HydrophobicContact CB-SD 4.24Å; I120-M174 HydrophobicContact CD1-CG 4.4Å; I120-M174 HydrophobicContact CD1-SD 4.18Å; I120-M174 HydrophobicContact CG1-SD 3.74Å; I120-M174 HydrophobicContact CG2-SD 3.76Å; I120-T177 HydrophobicContact CG2-CG2 3.89Å; I120-F178 HydrophobicContact CG2-CE2 4.22Å
121	Q	98.7	Very high	98.6	Very high	73 Å²	73	51 Å²	51	34%	0.341	27%	0.267	S	S	.	.	H	α-helix	trans	-64.2	-43.5	179.3	-172.5	63.6	33.7	0	0	111.8	Q117 S118 S119 A123 M124 E125	Q117-Q121 WeakPolarHBondContact O-CB 3Å; Q117-Q121 PolarHBondContact O-N 2.58Å; S118-Q121 PolarHBondContact O-N 2.82Å; S119-Q121 VanDerWaalsContact C-N 3.35Å; S119-Q121 PolarHBondContact O-N 3.4Å; Q121-A123 VanDerWaalsContact C-N 3.34Å; Q121-A123 PolarHBondContact O-N 2.91Å; Q121-M124 VanDerWaalsContact NE2-CE 3.31Å; Q121-M124 PolarHBondContact O-N 2.57Å; Q121-E125 PolarHBondContact NE2-OE1 3.36Å; Q121-E125 VanDerWaalsContact NE2-OE1 3.1Å; Q121-E125 PolarHBondContact O-N 3.49Å
122	A	98.8	Very high	98.5	Very high	63 Å²	63	48.8 Å²	48.8	52%	0.521	26%	0.264	S	S	.	.	H	α-helix	trans	-61.2	-43.7	176.6	0	0	0	0	0	111.6	S118 S119 M124 E125 W126	S118-A122 WeakPolarHBondContact O-CB 3.46Å; S118-A122 PolarHBondContact O-N 3.44Å; S119-A122 PolarHBondContact O-N 3.28Å; A122-M124 VanDerWaalsContact C-N 3.33Å; A122-M124 PolarHBondContact O-N 3.01Å; A122-E125 PolarHBondContact O-N 3.33Å; A122-W126 WeakPolarHBondContact O-CB 3.49Å; A122-W126 PolarHBondContact O-N 3.22Å
123	A	98.8	Very high	98.4	Very high	1 Å²	1	55 Å²	55	1%	0.008	30%	0.297	C	S	.	.	H	α-helix	trans	-64.4	-36.5	175.3	0	0	0	0	0	112.4	F63 V110 L112 S119 I120 Q121 T127 F178	F63-A123 HydrophobicContact CZ-CB 4.3Å; V110-A123 HydrophobicContact CG1-CB 4.41Å; L112-A123 HydrophobicContact CD1-CB 3.9Å; S119-A123 WeakPolarHBondContact O-CB 3.31Å; S119-A123 PolarHBondContact O-N 2.93Å; I120-A123 PolarHBondContact O-N 3.01Å; Q121-A123 VanDerWaalsContact C-N 3.34Å; Q121-A123 PolarHBondContact O-N 2.91Å; A123-T127 VanDerWaalsContact O-CB 3.27Å; A123-T127 WeakPolarHBondContact O-CB 3.46Å; A123-T127 PolarHBondContact O-N 2.89Å; A123-T127 PolarHBondContact O-OG1 3.42Å; A123-F178 HydrophobicContact CB-CZ 4.29Å
124	M	98.8	Very high	98.3	Very high	24 Å²	24	58.3 Å²	58.3	12%	0.118	31%	0.306	C	S	.	.	H	α-helix	trans	-65.6	-48.1	175.3	-171.2	-81.2	-83.2	0	0	111.5	I120 Q121 A122 W126 T127 K128 T177 F178 L181	I120-M124 WeakPolarHBondContact O-CB 3.4Å; I120-M124 PolarHBondContact O-N 3.32Å; Q121-M124 VanDerWaalsContact NE2-CE 3.31Å; Q121-M124 PolarHBondContact O-N 2.57Å; A122-M124 VanDerWaalsContact C-N 3.33Å; A122-M124 PolarHBondContact O-N 3.01Å; M124-W126 VanDerWaalsContact C-N 3.32Å; M124-W126 PolarHBondContact O-N 3.09Å; M124-T127 CarbonylContact O-C 3.32Å; M124-T127 WeakPolarHBondContact O-CB 3.39Å; M124-T127 PolarHBondContact O-N 2.96Å; M124-T127 VanDerWaalsContact O-N 3.16Å; M124-K128 WeakPolarHBondContact O-CB 3.38Å; M124-K128 PolarHBondContact O-N 3.04Å; M124-K128 HydrophobicContact SD-CB 4.39Å; M124-K128 HydrophobicContact SD-CD 4.49Å; M124-T177 HydrophobicContact CB-CG2 3.91Å; M124-T177 HydrophobicContact CE-CG2 4.46Å; M124-T177 HydrophobicContact CG-CG2 4.01Å; M124-F178 HydrophobicContact CB-CD2 4.21Å; M124-F178 HydrophobicContact CB-CE2 3.74Å; M124-F178 HydrophobicContact CB-CZ 3.96Å; M124-F178 HydrophobicContact CG-CD2 4.28Å; M124-F178 HydrophobicContact CG-CE2 4.28Å; M124-F178 HydrophobicContact CG-CG 4.5Å; M124-L181 HydrophobicContact CG-CD1 4.34Å; M124-L181 HydrophobicContact SD-CD1 4.34Å
125	E	98.7	Very high	98.3	Very high	72 Å²	72	57.7 Å²	57.7	34%	0.336	30%	0.302	S	S	.	.	H	α-helix	trans	-63.9	-38.5	178.7	-69.9	-54.3	143.3	0	0	112.1	Q121 A122 K128 K129	Q121-E125 PolarHBondContact NE2-OE1 3.36Å; Q121-E125 VanDerWaalsContact NE2-OE1 3.1Å; Q121-E125 PolarHBondContact O-N 3.49Å; A122-E125 PolarHBondContact O-N 3.33Å; E125-K128 PolarHBondContact O-N 2.95Å; E125-K129 WeakPolarHBondContact O-CG 3.18Å; E125-K129 PolarHBondContact O-N 2.93Å
126	W	98.8	Very high	98.3	Very high	61 Å²	61	56 Å²	56	23%	0.231	29%	0.292	C	S	.	.	H	α-helix	trans	-62.3	-47.6	171.4	174.3	78.6	0	0	0	111.5	F63 L87 K108 V110 A122 M124 K128 K129 E130	F63-W126 HydrophobicContact CE2-CZ3 4.21Å; L87-W126 HydrophobicContact CB-CH2 4.08Å; L87-W126 HydrophobicContact CB-CZ3 3.87Å; L87-W126 HydrophobicContact CD1-CZ3 4.33Å; L87-W126 HydrophobicContact CD2-CH2 3.58Å; L87-W126 HydrophobicContact CD2-CZ2 4.3Å; L87-W126 HydrophobicContact CD2-CZ3 4.02Å; L87-W126 HydrophobicContact CG-CH2 4.29Å; L87-W126 HydrophobicContact CG-CZ3 4.28Å; K108-W126 HydrophobicContact CB-CH2 3.84Å; K108-W126 HydrophobicContact CB-CZ2 3.76Å; K108-W126 HydrophobicContact CD-CZ2 4.28Å; V110-W126 HydrophobicContact CB-CD2 4.22Å; V110-W126 HydrophobicContact CB-CE3 3.81Å; V110-W126 HydrophobicContact CB-CH2 4.14Å; V110-W126 HydrophobicContact CB-CZ3 3.76Å; V110-W126 HydrophobicContact CG1-CE3 3.86Å; V110-W126 HydrophobicContact CG1-CH2 4.35Å; V110-W126 HydrophobicContact CG1-CZ3 3.63Å; V110-W126 HydrophobicContact CG2-CD2 4.24Å; V110-W126 HydrophobicContact CG2-CE3 4.1Å; A122-W126 WeakPolarHBondContact O-CB 3.49Å; A122-W126 PolarHBondContact O-N 3.22Å; M124-W126 VanDerWaalsContact C-N 3.32Å; M124-W126 PolarHBondContact O-N 3.09Å; W126-K128 VanDerWaalsContact C-N 3.31Å; W126-K128 PolarHBondContact O-N 3.45Å; W126-K129 WeakPolarHBondContact O-CB 3.28Å; W126-K129 PolarHBondContact O-N 2.78Å; W126-K129 VanDerWaalsContact O-N 3.16Å; W126-E130 HydrophobicContact CD2-CG 4.23Å; W126-E130 HydrophobicContact CH2-CG 4.46Å; W126-E130 HydrophobicContact CZ2-CG 3.93Å; W126-E130 WeakPolarHBondContact O-CG 3.42Å; W126-E130 PolarHBondContact O-N 3.15Å; W126-E130 VanDerWaalsContact O-N 3.11Å
127	T	98.8	Very high	98.3	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.8	-43.1	177.2	-62.2	0	0	0	0	111.4	F63 L87 A123 M124 K129 E130 V131 L136 F178 L181	F63-T127 HydrophobicContact CD2-CG2 4.34Å; F63-T127 WeakPolarHBondContact CD2-OG1 3.22Å; F63-T127 WeakPolarHBondContact CE2-OG1 3.36Å; L87-T127 HydrophobicContact CD1-CG2 3.69Å; A123-T127 VanDerWaalsContact O-CB 3.27Å; A123-T127 WeakPolarHBondContact O-CB 3.46Å; A123-T127 PolarHBondContact O-N 2.89Å; A123-T127 PolarHBondContact O-OG1 3.42Å; M124-T127 CarbonylContact O-C 3.32Å; M124-T127 WeakPolarHBondContact O-CB 3.39Å; M124-T127 PolarHBondContact O-N 2.96Å; M124-T127 VanDerWaalsContact O-N 3.16Å; T127-K129 VanDerWaalsContact C-N 3.28Å; T127-K129 PolarHBondContact O-N 2.83Å; T127-E130 WeakPolarHBondContact O-CB 3.35Å; T127-E130 PolarHBondContact O-N 3.45Å; T127-E130 VanDerWaalsContact O-N 3.07Å; T127-V131 HydrophobicContact CG2-CG1 3.97Å; T127-V131 WeakPolarHBondContact O-CG1 3.38Å; T127-V131 WeakPolarHBondContact O-CG2 3.43Å; T127-V131 PolarHBondContact O-N 2.99Å; T127-L136 HydrophobicContact CG2-CD1 4.23Å; T127-L136 HydrophobicContact CG2-CD2 4.49Å; T127-F178 HydrophobicContact CG2-CD1 4.38Å; T127-F178 HydrophobicContact CG2-CE1 3.94Å; T127-F178 WeakPolarHBondContact OG1-CE1 3.48Å; T127-L181 HydrophobicContact CG2-CD1 3.84Å
128	K	98.6	Very high	98.3	Very high	107 Å²	107	50.7 Å²	50.7	47%	0.465	26%	0.262	S	S	.	.	H	α-helix	trans	-57.6	-40.8	178.1	-177.4	176.9	176.7	-173.1	0	112.1	M124 E125 W126 G132 L181	M124-K128 WeakPolarHBondContact O-CB 3.38Å; M124-K128 PolarHBondContact O-N 3.04Å; M124-K128 HydrophobicContact SD-CB 4.39Å; M124-K128 HydrophobicContact SD-CD 4.49Å; E125-K128 PolarHBondContact O-N 2.95Å; W126-K128 VanDerWaalsContact C-N 3.31Å; W126-K128 PolarHBondContact O-N 3.45Å; K128-G132 PolarHBondContact O-N 3.46Å; K128-G132 VanDerWaalsContact O-N 3.09Å; K128-L181 HydrophobicContact CB-CD1 4.18Å; K128-L181 HydrophobicContact CB-CD2 4.19Å; K128-L181 HydrophobicContact CG-CD2 4.05Å
129	K	98.4	Very high	98.4	Very high	172 Å²	172	46.5 Å²	46.5	75%	0.748	23%	0.233	S	C	*	.	H	α-helix	trans	-65.9	-40.5	174.7	-67	171.9	-176	179.4	0	111.9	E125 W126 T127	E125-K129 WeakPolarHBondContact O-CG 3.18Å; E125-K129 PolarHBondContact O-N 2.93Å; W126-K129 WeakPolarHBondContact O-CB 3.28Å; W126-K129 PolarHBondContact O-N 2.78Å; W126-K129 VanDerWaalsContact O-N 3.16Å; T127-K129 VanDerWaalsContact C-N 3.28Å; T127-K129 PolarHBondContact O-N 2.83Å
130	E	98	Very high	98.4	Very high	43 Å²	43	45.3 Å²	45.3	20%	0.201	23%	0.225	C	C	.	.	H	α-helix	trans	-69.1	-40.1	-179.1	-71.5	-65	163.5	0	0	113.5	Y61 L87 K108 W126 T127	Y61-E130 HydrophobicContact CE1-CB 4.43Å; Y61-E130 VanDerWaalsContact CE1-O 3.31Å; Y61-E130 WeakPolarHBondContact CE1-O 3.37Å; Y61-E130 PolarHBondContact OH-O 2.8Å; L87-E130 HydrophobicContact CD1-CB 4.15Å; L87-E130 HydrophobicContact CD2-CB 4.16Å; L87-E130 HydrophobicContact CD2-CG 4.24Å; K108-E130 WeakPolarHBondContact CD-OE2 3.48Å; K108-E130 WeakPolarHBondContact CE-OE2 3.41Å; K108-E130 IonicContact NZ-OE1 2.58Å; K108-E130 PolarHBondContact NZ-OE1 2.92Å; K108-E130 IonicContact NZ-OE2 3.9Å; K108-E130 PolarHBondContact NZ-OE2 3.44Å; W126-E130 HydrophobicContact CD2-CG 4.23Å; W126-E130 HydrophobicContact CH2-CG 4.46Å; W126-E130 HydrophobicContact CZ2-CG 3.93Å; W126-E130 WeakPolarHBondContact O-CG 3.42Å; W126-E130 PolarHBondContact O-N 3.15Å; W126-E130 VanDerWaalsContact O-N 3.11Å; T127-E130 WeakPolarHBondContact O-CB 3.35Å; T127-E130 PolarHBondContact O-N 3.45Å; T127-E130 VanDerWaalsContact O-N 3.07Å
131	V	98.1	Very high	98.4	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.018	23%	0.225	C	C	.	.	H	α-helix	trans	-86.7	-25.6	-176.2	-54.2	0	0	0	0	113.7	Y61 L87 T127 D133 R134 G135 L136 L181	Y61-V131 HydrophobicContact CD1-CG1 3.85Å; Y61-V131 HydrophobicContact CD2-CB 4.32Å; Y61-V131 HydrophobicContact CD2-CG1 4.16Å; Y61-V131 HydrophobicContact CE1-CG1 4.49Å; Y61-V131 HydrophobicContact CG-CB 4.29Å; Y61-V131 HydrophobicContact CG-CG1 3.64Å; L87-V131 HydrophobicContact CD1-CG1 4.12Å; T127-V131 HydrophobicContact CG2-CG1 3.97Å; T127-V131 WeakPolarHBondContact O-CG1 3.38Å; T127-V131 WeakPolarHBondContact O-CG2 3.43Å; T127-V131 PolarHBondContact O-N 2.99Å; V131-D133 PolarHBondContact O-N 3.41Å; V131-R134 PolarHBondContact O-N 3.02Å; V131-G135 WeakPolarHBondContact CB-O 3.32Å; V131-L136 HydrophobicContact CG1-CD1 4.21Å; V131-L181 HydrophobicContact CG2-CD1 4.46Å; V131-L181 HydrophobicContact CG2-CD2 4.41Å
132	G	97.4	Very high	98.4	Very high	36 Å²	36	42.9 Å²	42.9	37%	0.371	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	52.9	-133.4	-177.6	0	0	0	0	0	112.9	K128 R134	K128-G132 PolarHBondContact O-N 3.46Å; K128-G132 VanDerWaalsContact O-N 3.09Å; G132-R134 VanDerWaalsContact C-N 3.29Å; G132-R134 PolarHBondContact O-N 3.23Å
133	D	96.4	Very high	98.3	Very high	140 Å²	140	40.7 Å²	40.7	75%	0.749	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-76.8	-12.1	-178	-73	-42.3	0	0	0	115.3	V131 G135 K184	V131-D133 PolarHBondContact O-N 3.41Å; D133-G135 VanDerWaalsContact C-N 3.26Å; D133-G135 PolarHBondContact O-N 3.06Å; D133-K184 WeakPolarHBondContact O-CE 3.25Å; D133-K184 IonicContact OD1-NZ 3.58Å; D133-K184 PolarHBondContact OD1-NZ 3.22Å
134	R	96.4	Very high	98.2	Very high	125 Å²	125	42.3 Å²	42.3	47%	0.472	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-71.2	-25.6	178.1	-55.6	-177.8	-145.6	154.6	9.7	112.2	V131 G132 A185	V131-R134 PolarHBondContact O-N 3.02Å; G132-R134 VanDerWaalsContact C-N 3.29Å; G132-R134 PolarHBondContact O-N 3.23Å; R134-A185 WeakPolarHBondContact O-CB 3.39Å
135	G	98.3	Very high	98	Very high	2 Å²	2	46 Å²	46	2%	0.021	23%	0.225	C	C	.	.			trans	70.5	-175.5	-172.2	0	0	0	0	0	113	V131 D133 L181	V131-G135 WeakPolarHBondContact CB-O 3.32Å; D133-G135 VanDerWaalsContact C-N 3.26Å; D133-G135 PolarHBondContact O-N 3.06Å; G135-L181 WeakPolarHBondContact CA-O 3.35Å
136	L	98.8	Very high	97.6	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.			trans	-97.6	113.2	-176.6	-175.9	66.9	0	0	0	110.8	Y61 F63 T127 V131 G138 I139 F178 L181 I182 A185	Y61-L136 WeakPolarHBondContact O-CD1 3.49Å; F63-L136 HydrophobicContact CB-CD1 4.03Å; F63-L136 HydrophobicContact CB-CD2 3.89Å; T127-L136 HydrophobicContact CG2-CD1 4.23Å; T127-L136 HydrophobicContact CG2-CD2 4.49Å; V131-L136 HydrophobicContact CG1-CD1 4.21Å; L136-G138 WeakPolarHBondContact CG-O 3.47Å; L136-I139 HydrophobicContact CD2-CB 4.27Å; L136-F178 HydrophobicContact CD2-CD1 3.74Å; L136-F178 HydrophobicContact CD2-CE1 4.5Å; L136-L181 HydrophobicContact CB-CB 3.79Å; L136-L181 PolarHBondContact N-O 3.49Å; L136-I182 HydrophobicContact CB-CG1 4.22Å; L136-I182 HydrophobicContact CD2-CG1 3.98Å; L136-I182 HydrophobicContact CG-CG1 4.34Å; L136-I182 WeakPolarHBondContact O-CA 3.43Å; L136-A185 VanDerWaalsContact O-CB 3.31Å; L136-A185 WeakPolarHBondContact O-CB 3.38Å
137	W	98.7	Very high	97.3	Very high	28 Å²	28	41.6 Å²	41.6	11%	0.106	21%	0.209	C	C	.	.	S	Bend	trans	-66.2	-39.9	-179.6	173.8	-110.1	0	0	0	112.8	I54 K60 Y61 F84 G187 R188 L303	I54-W137 HydrophobicContact CD1-CH2 4.17Å; I54-W137 HydrophobicContact CD1-CZ2 3.2Å; I54-W137 HydrophobicContact CG2-CZ2 4.33Å; K60-W137 HydrophobicContact CB-CB 3.73Å; K60-W137 HydrophobicContact CB-CG 3.7Å; K60-W137 HydrophobicContact CD-CB 3.97Å; K60-W137 HydrophobicContact CD-CD2 3.8Å; K60-W137 HydrophobicContact CD-CE3 4.01Å; K60-W137 HydrophobicContact CD-CG 3.78Å; K60-W137 HydrophobicContact CG-CB 4.27Å; K60-W137 HydrophobicContact CG-CD2 4.23Å; K60-W137 HydrophobicContact CG-CG 3.91Å; Y61-W137 WeakPolarHBondContact O-CA 3.36Å; Y61-W137 VanDerWaalsContact O-CB 3.28Å; Y61-W137 WeakPolarHBondContact O-CB 3.26Å; Y61-W137 PolarHBondContact O-N 2.86Å; F84-W137 AromaticContact CE1-CD1 3.82Å; W137-G187 CarbonylContact O-C 3.54Å; W137-G187 VanDerWaalsContact O-C 3.32Å; W137-G187 WeakPolarHBondContact O-CA 3.49Å; W137-R188 HydrophobicContact CZ2-CG 4.23Å; W137-R188 PolarHBondContact O-N 3.35Å; W137-L303 PolarHBondContact NE1-O 2.67Å
138	G	98.7	Very high	97	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	142	-176.8	0	0	0	0	0	112.5	Y61 V62 F63 L136 R188	Y61-G138 PolarHBondContact O-N 3.07Å; Y61-G138 VanDerWaalsContact O-N 3.08Å; V62-G138 CarbonylContact C-O 3.54Å; V62-G138 WeakPolarHBondContact CA-O 3.45Å; F63-G138 PolarHBondContact N-O 3.19Å; L136-G138 WeakPolarHBondContact CG-O 3.47Å; G138-R188 CarbonylContact C-O 3.55Å; G138-R188 VanDerWaalsContact CA-O 3.3Å; G138-R188 WeakPolarHBondContact CA-O 3.48Å
139	I	98.9	Very high	96.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134.2	159.3	-169.5	171.4	0	0	0	109.1	F63 L136 M174 F178 I182 R188 I189 V190	F63-I139 HydrophobicContact CB-CG1 4.43Å; F63-I139 HydrophobicContact CD1-CG1 4.48Å; F63-I139 CarbonylContact O-C 3.56Å; F63-I139 WeakPolarHBondContact O-CA 3.31Å; L136-I139 HydrophobicContact CD2-CB 4.27Å; I139-M174 HydrophobicContact CD1-CB 4.32Å; I139-M174 HydrophobicContact CD1-CE 4.06Å; I139-F178 HydrophobicContact CD1-CB 3.94Å; I139-F178 HydrophobicContact CD1-CD1 4.27Å; I139-F178 HydrophobicContact CD1-CD2 4.46Å; I139-F178 HydrophobicContact CD1-CG 3.98Å; I139-I182 HydrophobicContact CB-CD1 3.98Å; I139-I182 HydrophobicContact CG2-CD1 3.41Å; I139-I182 VanDerWaalsContact CG2-CD1 3.41Å; I139-I182 HydrophobicContact CG2-CG1 4.46Å; I139-R188 PolarHBondContact N-O 2.95Å; I139-I189 HydrophobicContact CG2-CB 4.15Å; I139-I189 HydrophobicContact CG2-CG1 3.88Å; I139-I189 HydrophobicContact CG2-CG2 4.05Å; I139-V190 PolarHBondContact O-N 3.08Å
140	V	98.9	Very high	96.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	102	174.9	-173.6	0	0	0	0	108.7	V62 F63 V64 T65 L75 N142 V190 V192 M299 L303	V62-V140 HydrophobicContact CG1-CG2 4.11Å; F63-V140 PolarHBondContact O-N 2.71Å; V64-V140 HydrophobicContact CB-CB 4.46Å; V64-V140 HydrophobicContact CG1-CB 4.19Å; V64-V140 HydrophobicContact CG1-CG1 4.47Å; V64-V140 HydrophobicContact CG2-CB 4.19Å; V64-V140 HydrophobicContact CG2-CG2 4.25Å; T65-V140 PolarHBondContact N-O 2.93Å; T65-V140 PolarHBondContact OG1-O 3.44Å; L75-V140 HydrophobicContact CD2-CB 4.23Å; L75-V140 HydrophobicContact CD2-CG1 3.89Å; L75-V140 HydrophobicContact CD2-CG2 3.94Å; V140-N142 HydrophobicContact CG1-CB 4.21Å; V140-N142 PolarHBondContact O-N 3.42Å; V140-N142 VanDerWaalsContact O-N 3.08Å; V140-V190 CarbonylContact C-O 3.51Å; V140-V190 WeakPolarHBondContact CA-O 3.42Å; V140-V190 HydrophobicContact CB-CB 4.46Å; V140-V190 HydrophobicContact CG1-CB 4.3Å; V140-V190 HydrophobicContact CG1-CG1 4.28Å; V140-V190 HydrophobicContact CG2-CB 4.1Å; V140-V190 HydrophobicContact CG2-CG2 4.43Å; V140-V192 HydrophobicContact CG1-CG2 4.31Å; V140-M299 HydrophobicContact CG1-SD 4.41Å; V140-L303 HydrophobicContact CG2-CD1 3.88Å; V140-L303 HydrophobicContact CG2-CD2 4.25Å; V140-L303 HydrophobicContact CG2-CG 4.42Å
141	N	98.9	Very high	96	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.016	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	85.9	176.3	-68.3	-52.8	0	0	0	109.3	V171 M174 T175 V190 N191 V192	N141-V171 HydrophobicContact CB-CG1 4.02Å; N141-V171 HydrophobicContact CB-CG2 4.25Å; N141-M174 WeakPolarHBondContact OD1-CB 3.42Å; N141-T175 PolarHBondContact ND2-OG1 2.95Å; N141-V190 PolarHBondContact N-O 2.89Å; N141-N191 WeakPolarHBondContact CB-OD1 3.31Å; N141-N191 PolarHBondContact ND2-OD1 3.16Å; N141-V192 WeakPolarHBondContact O-CB 3.37Å; N141-V192 WeakPolarHBondContact O-CG2 3.49Å; N141-V192 PolarHBondContact O-N 2.94Å
142	N	98.7	Very high	95.7	Very high	21 Å²	21	31.5 Å²	31.5	11%	0.112	18%	0.176	C	C	.	.			trans	-105.3	-25.8	-177	162.4	83.3	0	0	0	113.5	T65 G66 F71 G72 V140 G144 V192	T65-N142 VanDerWaalsContact O-CB 3.31Å; T65-N142 WeakPolarHBondContact O-CB 3.29Å; T65-N142 PolarHBondContact O-ND2 3.26Å; T65-N142 PolarHBondContact OG1-N 3.05Å; G66-N142 PolarHBondContact O-ND2 3.07Å; G66-N142 VanDerWaalsContact O-ND2 3.09Å; F71-N142 WeakPolarHBondContact CB-OD1 2.98Å; G72-N142 WeakPolarHBondContact CA-ND2 3.21Å; G72-N142 PolarHBondContact N-ND2 2.94Å; V140-N142 HydrophobicContact CG1-CB 4.21Å; V140-N142 PolarHBondContact O-N 3.42Å; V140-N142 VanDerWaalsContact O-N 3.08Å; N142-G144 PolarHBondContact O-N 3.47Å; N142-V192 HydrophobicContact CB-CG2 3.85Å
143	A	97.6	Very high	95.5	Very high	17 Å²	17	35.1 Å²	35.1	14%	0.14	18%	0.184	C	C	.	.			trans	-51.7	129.1	179.4	0	0	0	0	0	111.8	T65 V114	T65-A143 PolarHBondContact O-N 3.28Å; T65-A143 WeakPolarHBondContact OG1-CB 3.44Å; T65-A143 PolarHBondContact OG1-N 3.02Å; V114-A143 HydrophobicContact CG1-CB 4.03Å; V114-A143 HydrophobicContact CG2-CB 4.13Å
144	G	95.9	Very high	95.4	Very high	34 Å²	34	28.6 Å²	28.6	35%	0.351	15%	0.149	S	C	.	.			trans	-174.1	162.7	179.9	0	0	0	0	0	113.7	N142 N167	N142-G144 PolarHBondContact O-N 3.47Å; G144-N167 WeakPolarHBondContact CA-OD1 3.19Å
145	R	94.8	Very high	95.3	Very high	101 Å²	101	23.6 Å²	23.6	38%	0.381	13%	0.131	S	C	.	.			trans	-138.2	152.9	178.7	59.3	-175.3	-76.7	-179.6	-2.8	110.9	L147 V166 N167 Y206	R145-L147 PolarHBondContact NE-O 2.9Å; R145-L147 PolarHBondContact NH2-O 3.05Å; R145-V166 HydrophobicContact CG-CB 4.16Å; R145-V166 HydrophobicContact CG-CG1 4.43Å; R145-V166 HydrophobicContact CG-CG2 4.19Å; R145-N167 PolarHBondContact N-OD1 3.07Å; R145-N167 PolarHBondContact O-ND2 2.91Å; R145-N167 PolarHBondContact O-OD1 3.09Å; R145-Y206 WeakPolarHBondContact O-CD2 3.3Å
146	S	91.3	Very high	95.1	Very high	11 Å²	11	30.5 Å²	30.5	8%	0.077	16%	0.156	C	C	.	.			trans	-98.6	-31.7	174.4	45.4	0	0	0	0	113.4	V243	S146-V243 VanDerWaalsContact CB-CG1 3.44Å; S146-V243 WeakPolarHBondContact OG-CG1 3.39Å; S146-V243 PolarHBondContact OG-O 3.41Å
147	L	91.8	Very high	95	Very high	31 Å²	31	34.8 Å²	34.8	16%	0.162	18%	0.182	C	C	.	.			trans	-91.4	148.8	-174.8	-62.3	179.3	0	0	0	111.9	R145 M149 P248 I249 E252	R145-L147 PolarHBondContact NE-O 2.9Å; R145-L147 PolarHBondContact NH2-O 3.05Å; L147-M149 HydrophobicContact CD2-CB 4.03Å; L147-P248 HydrophobicContact CD1-CB 3.78Å; L147-I249 HydrophobicContact CD1-CG1 4.46Å; L147-I249 HydrophobicContact CD2-CG1 3.99Å; L147-E252 HydrophobicContact CD1-CB 4.24Å; L147-E252 HydrophobicContact CD2-CB 4.15Å; L147-E252 HydrophobicContact CD2-CG 4.13Å
148	P	92.9	Very high	94.8	Very high	9 Å²	9	39.3 Å²	39.3	6%	0.058	21%	0.205	C	C	.	.	S	Bend	cis	-68.4	145.7	-2.2	-23.2	38.3	0	0	0	113.4	M155 D159 S162 E252	P148-M155 HydrophobicContact CB-CE 3.92Å; P148-M155 WeakPolarHBondContact O-CE 3.33Å; P148-D159 HydrophobicContact CB-CB 3.9Å; P148-D159 HydrophobicContact CG-CB 4Å; P148-S162 VanDerWaalsContact CD-OG 3.25Å; P148-S162 WeakPolarHBondContact CD-OG 3.41Å; P148-E252 HydrophobicContact CB-CG 4.39Å; P148-E252 VanDerWaalsContact CB-OE1 3.26Å; P148-E252 WeakPolarHBondContact CB-OE1 3.26Å
149	M	89.8	Confident	94.6	Very high	12 Å²	12	40.2 Å²	40.2	6%	0.059	21%	0.21	C	C	.	.			trans	-149.3	135.4	178.5	-175.5	175.6	68.2	0	0	110.1	L147 N202 L256	L147-M149 HydrophobicContact CD2-CB 4.03Å; M149-N202 HydrophobicContact SD-CB 3.89Å; M149-N202 PolarHBondContact SD-ND2 3.5Å; M149-L256 WeakPolarHBondContact O-CD1 3.44Å
150	G	91.8	Very high	94.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	178.6	-177.2	177.4	0	0	0	0	0	110.8	S152 M155 G203	G150-S152 PolarHBondContact O-N 3.45Å; G150-M155 PolarHBondContact N-SD 3.09Å; G150-G203 CarbonylContact O-C 3.53Å; G150-G203 VanDerWaalsContact O-CA 3.32Å; G150-G203 WeakPolarHBondContact O-CA 3.26Å
151	P	92	Very high	94.4	Very high	17 Å²	17	47.7 Å²	47.7	11%	0.11	24%	0.243	C	C	.	.			trans	-51.7	136.5	169.3	-25.8	35.5	0	0	0	111.2	E153 W154 Y276	P151-E153 VanDerWaalsContact C-N 3.28Å; P151-E153 PolarHBondContact O-N 2.62Å; P151-W154 HydrophobicContact CB-CD2 4.04Å; P151-W154 HydrophobicContact CB-CG 3.99Å; P151-W154 HydrophobicContact CG-CD2 3.8Å; P151-W154 HydrophobicContact CG-CE3 4.09Å; P151-W154 HydrophobicContact CG-CG 4.27Å; P151-W154 HydrophobicContact CG-CH2 4.24Å; P151-W154 HydrophobicContact CG-CZ2 3.97Å; P151-W154 HydrophobicContact CG-CZ3 4.3Å; P151-W154 WeakPolarHBondContact O-CB 3.47Å; P151-W154 PolarHBondContact O-N 3.06Å; P151-Y276 HydrophobicContact CG-CE2 4.23Å
152	S	91.8	Very high	94.3	Very high	74 Å²	74	49.2 Å²	49.2	52%	0.517	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-59.2	-35.9	-170	-58.1	0	0	0	0	113.7	G150 W154 M155	G150-S152 PolarHBondContact O-N 3.45Å; S152-W154 PolarHBondContact O-N 2.99Å; S152-M155 PolarHBondContact O-N 3.37Å
153	E	93.3	Very high	94.2	Very high	113 Å²	113	48.2 Å²	48.2	53%	0.528	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-64.6	-20.6	176.6	-172.1	174.3	-152.2	0	0	112.8	P151 M155 V264 Y268	P151-E153 VanDerWaalsContact C-N 3.28Å; P151-E153 PolarHBondContact O-N 2.62Å; E153-M155 VanDerWaalsContact C-N 3.32Å; E153-V264 HydrophobicContact CG-CG1 4.21Å; E153-Y268 VanDerWaalsContact OE2-CE2 3.24Å; E153-Y268 WeakPolarHBondContact OE2-CE2 3.45Å; E153-Y268 PolarHBondContact OE2-OH 3.18Å
154	W	94.4	Very high	94.2	Very high	3 Å²	3	48.5 Å²	48.5	1%	0.011	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-84.4	-11.5	179.1	-56.8	7.7	0	0	0	113.4	P151 S152 L253 L256 W257 Q259 L260 Y268 Y272 L273	P151-W154 HydrophobicContact CB-CD2 4.04Å; P151-W154 HydrophobicContact CB-CG 3.99Å; P151-W154 HydrophobicContact CG-CD2 3.8Å; P151-W154 HydrophobicContact CG-CE3 4.09Å; P151-W154 HydrophobicContact CG-CG 4.27Å; P151-W154 HydrophobicContact CG-CH2 4.24Å; P151-W154 HydrophobicContact CG-CZ2 3.97Å; P151-W154 HydrophobicContact CG-CZ3 4.3Å; P151-W154 WeakPolarHBondContact O-CB 3.47Å; P151-W154 PolarHBondContact O-N 3.06Å; S152-W154 PolarHBondContact O-N 2.99Å; W154-L253 HydrophobicContact CZ3-CD2 4.38Å; W154-L256 HydrophobicContact CB-CB 4.25Å; W154-L256 HydrophobicContact CE3-CB 4.18Å; W154-W257 AromaticContact CE2-CE3 3.97Å; W154-W257 AromaticContact CH2-CE3 3.45Å; W154-W257 HydrophobicContact CH2-CE3 3.45Å; W154-W257 VanDerWaalsContact CH2-CE3 3.45Å; W154-W257 AromaticContact CH2-CZ3 3.89Å; W154-W257 HydrophobicContact CH2-CZ3 3.89Å; W154-W257 AromaticContact CZ2-CE3 3.41Å; W154-W257 HydrophobicContact CZ2-CE3 3.41Å; W154-W257 VanDerWaalsContact CZ2-CE3 3.41Å; W154-W257 AromaticContact CZ2-CZ3 3.49Å; W154-W257 HydrophobicContact CZ2-CZ3 3.49Å; W154-W257 VanDerWaalsContact CZ2-CZ3 3.49Å; W154-W257 HydrophobicContact CZ3-CB 4.39Å; W154-W257 HydrophobicContact CZ3-CE3 4.04Å; W154-Q259 PolarHBondContact O-NE2 2.71Å; W154-L260 HydrophobicContact CB-CD2 4.09Å; W154-L260 HydrophobicContact CD2-CD1 3.96Å; W154-L260 HydrophobicContact CG-CD1 3.86Å; W154-L260 HydrophobicContact CG-CD2 4.09Å; W154-L260 HydrophobicContact CG-CG 4.4Å; W154-Y268 AromaticContact CD1-CE2 3.82Å; W154-Y268 AromaticContact CD1-CZ 4Å; W154-Y268 HydrophobicContact CZ2-CD1 4.23Å; W154-Y268 HydrophobicContact CZ2-CE1 4.41Å; W154-Y268 HydrophobicContact CZ2-CG 4.36Å; W154-Y268 AromaticContact NE1-CD2 3.56Å; W154-Y268 AromaticContact NE1-CE1 3.78Å; W154-Y268 AromaticContact NE1-CE2 3.14Å; W154-Y268 AromaticContact NE1-CZ 3.27Å; W154-Y268 VanDerWaalsContact NE1-CZ 3.27Å; W154-Y272 AromaticContact CH2-CD1 3.9Å; W154-Y272 HydrophobicContact CH2-CD1 3.9Å; W154-Y272 HydrophobicContact CH2-CE1 4.02Å; W154-Y272 AromaticContact CZ2-CD1 3.59Å; W154-Y272 HydrophobicContact CZ2-CD1 3.59Å; W154-Y272 AromaticContact CZ2-CE1 3.62Å; W154-Y272 HydrophobicContact CZ2-CE1 3.62Å; W154-L273 HydrophobicContact CH2-CB 4.46Å; W154-L273 HydrophobicContact CH2-CD1 3.92Å; W154-L273 HydrophobicContact CZ3-CD1 3.75Å
155	M	94.3	Very high	94.3	Very high	19 Å²	19	51.8 Å²	51.8	9%	0.094	25%	0.253	C	S	.	.			trans	-104	147.6	-170	-61	-171.8	65.9	0	0	111.1	P148 G150 S152 E153 D159 F160 G204 L256	P148-M155 HydrophobicContact CB-CE 3.92Å; P148-M155 WeakPolarHBondContact O-CE 3.33Å; G150-M155 PolarHBondContact N-SD 3.09Å; S152-M155 PolarHBondContact O-N 3.37Å; E153-M155 VanDerWaalsContact C-N 3.32Å; M155-D159 HydrophobicContact CB-CB 4.35Å; M155-D159 HydrophobicContact CE-CB 3.57Å; M155-F160 HydrophobicContact CB-CE2 3.73Å; M155-F160 HydrophobicContact CB-CZ 4.21Å; M155-F160 HydrophobicContact SD-CZ 4.44Å; M155-G204 WeakPolarHBondContact SD-CA 3.35Å; M155-L256 HydrophobicContact CG-CD1 4.23Å; M155-L256 HydrophobicContact CG-CD2 4.45Å
156	R	94.5	Very high	94.5	Very high	147 Å²	147	47.9 Å²	47.9	56%	0.555	24%	0.24	S	C	*	.			trans	-91.7	159.2	170.1	-54.3	-177.8	-179.9	179.7	-1.4	110	E158 D159 F160	R156-E158 VanDerWaalsContact CB-OE2 3.23Å; R156-E158 WeakPolarHBondContact CB-OE2 3.39Å; R156-E158 PolarHBondContact O-N 3.4Å; R156-D159 PolarHBondContact N-OD2 2.65Å; R156-D159 VanDerWaalsContact O-CB 3.25Å; R156-D159 WeakPolarHBondContact O-CB 3.31Å; R156-D159 PolarHBondContact O-N 2.89Å; R156-F160 VanDerWaalsContact O-CD2 3.26Å; R156-F160 WeakPolarHBondContact O-CD2 3.19Å
157	V	95.3	Very high	94.8	Very high	91 Å²	91	47.4 Å²	47.4	55%	0.552	24%	0.237	S	C	*	.	H	α-helix	trans	-57.1	-35.9	178.7	176.7	0	0	0	0	111.4	D159 F160 H161	V157-D159 VanDerWaalsContact C-N 3.26Å; V157-D159 PolarHBondContact O-N 2.87Å; V157-F160 WeakPolarHBondContact O-CB 3.23Å; V157-F160 PolarHBondContact O-N 2.84Å; V157-F160 VanDerWaalsContact O-N 3.14Å; V157-H161 WeakPolarHBondContact CG1-NE2 3.39Å; V157-H161 PolarHBondContact O-N 3.28Å; V157-H161 VanDerWaalsContact O-N 3.1Å
158	E	95.4	Very high	95.1	Very high	123 Å²	123	48.2 Å²	48.2	58%	0.575	24%	0.24	S	C	*	.	H	α-helix	trans	-63.2	-31.5	177.6	-60.3	72	-154.2	0	0	112.5	R156 F160 H161 S162	R156-E158 VanDerWaalsContact CB-OE2 3.23Å; R156-E158 WeakPolarHBondContact CB-OE2 3.39Å; R156-E158 PolarHBondContact O-N 3.4Å; E158-F160 VanDerWaalsContact C-N 3.31Å; E158-F160 PolarHBondContact O-N 2.96Å; E158-H161 PolarHBondContact O-N 2.79Å; E158-S162 WeakPolarHBondContact O-CB 3.47Å; E158-S162 PolarHBondContact O-N 2.91Å
159	D	94.8	Very high	95.4	Very high	19 Å²	19	51.7 Å²	51.7	10%	0.102	26%	0.258	C	S	.	.	H	α-helix	trans	-63.2	-40.9	176.5	-66.1	-42.6	0	0	0	110.3	P148 M155 R156 V157 S162 R255	P148-D159 HydrophobicContact CB-CB 3.9Å; P148-D159 HydrophobicContact CG-CB 4Å; M155-D159 HydrophobicContact CB-CB 4.35Å; M155-D159 HydrophobicContact CE-CB 3.57Å; R156-D159 PolarHBondContact N-OD2 2.65Å; R156-D159 VanDerWaalsContact O-CB 3.25Å; R156-D159 WeakPolarHBondContact O-CB 3.31Å; R156-D159 PolarHBondContact O-N 2.89Å; V157-D159 VanDerWaalsContact C-N 3.26Å; V157-D159 PolarHBondContact O-N 2.87Å; D159-S162 PolarHBondContact O-OG 3.27Å; D159-R255 IonicContact OD1-NH2 3.68Å; D159-R255 PolarHBondContact OD1-NH2 3.28Å
160	F	96.3	Very high	95.8	Very high	42 Å²	42	51.2 Å²	51.2	18%	0.184	26%	0.256	C	S	.	.	H	α-helix	trans	-64.8	-49.2	173.5	-63.6	-97.3	0	0	0	111.2	M155 R156 V157 E158 S162 T163 L164 G204 I208	M155-F160 HydrophobicContact CB-CE2 3.73Å; M155-F160 HydrophobicContact CB-CZ 4.21Å; M155-F160 HydrophobicContact SD-CZ 4.44Å; R156-F160 VanDerWaalsContact O-CD2 3.26Å; R156-F160 WeakPolarHBondContact O-CD2 3.19Å; V157-F160 WeakPolarHBondContact O-CB 3.23Å; V157-F160 PolarHBondContact O-N 2.84Å; V157-F160 VanDerWaalsContact O-N 3.14Å; E158-F160 VanDerWaalsContact C-N 3.31Å; E158-F160 PolarHBondContact O-N 2.96Å; F160-S162 VanDerWaalsContact C-N 3.28Å; F160-S162 PolarHBondContact O-N 2.89Å; F160-T163 PolarHBondContact O-N 3.01Å; F160-L164 WeakPolarHBondContact O-CG 3.38Å; F160-L164 PolarHBondContact O-N 2.91Å; F160-G204 VanDerWaalsContact CE1-C 3.4Å; F160-G204 VanDerWaalsContact CE1-CA 3.4Å; F160-I208 HydrophobicContact CD1-CD1 3.83Å; F160-I208 HydrophobicContact CE1-CD1 4.18Å
161	H	96.9	Very high	96.2	Very high	114 Å²	114	51.6 Å²	51.6	53%	0.528	26%	0.259	S	S	.	.	H	α-helix	trans	-58.5	-39.3	-179.9	-71.7	-36	0	0	0	112.6	V157 E158 T163 L164 K165	V157-H161 WeakPolarHBondContact CG1-NE2 3.39Å; V157-H161 PolarHBondContact O-N 3.28Å; V157-H161 VanDerWaalsContact O-N 3.1Å; E158-H161 PolarHBondContact O-N 2.79Å; H161-T163 VanDerWaalsContact C-N 3.31Å; H161-T163 PolarHBondContact O-N 3.35Å; H161-L164 PolarHBondContact O-N 3.03Å; H161-K165 WeakPolarHBondContact O-CB 3.31Å; H161-K165 PolarHBondContact O-N 2.84Å
162	S	96.3	Very high	96.5	Very high	35 Å²	35	53.6 Å²	53.6	25%	0.245	27%	0.268	C	S	.	.	H	α-helix	trans	-60.7	-39.1	179.4	76.3	0	0	0	0	112.8	P148 E158 D159 F160	P148-S162 VanDerWaalsContact CD-OG 3.25Å; P148-S162 WeakPolarHBondContact CD-OG 3.41Å; E158-S162 WeakPolarHBondContact O-CB 3.47Å; E158-S162 PolarHBondContact O-N 2.91Å; D159-S162 PolarHBondContact O-OG 3.27Å; F160-S162 VanDerWaalsContact C-N 3.28Å; F160-S162 PolarHBondContact O-N 2.89Å
163	T	96.9	Very high	96.8	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-73.8	-43.5	177.1	-60.7	0	0	0	0	111.1	F160 H161 K165 V166 N167	F160-T163 PolarHBondContact O-N 3.01Å; H161-T163 VanDerWaalsContact C-N 3.31Å; H161-T163 PolarHBondContact O-N 3.35Å; T163-K165 VanDerWaalsContact C-N 3.3Å; T163-K165 PolarHBondContact O-N 2.84Å; T163-V166 PolarHBondContact O-N 2.82Å; T163-N167 WeakPolarHBondContact O-CB 3.36Å; T163-N167 PolarHBondContact O-N 3.18Å
164	L	98.2	Very high	97.1	Very high	24 Å²	24	45.7 Å²	45.7	13%	0.126	23%	0.227	C	C	.	.	H	α-helix	trans	-62.3	-36.4	177.5	-67.7	169.2	0	0	0	112.2	F160 H161 V166 M168 N169 I208	F160-L164 WeakPolarHBondContact O-CG 3.38Å; F160-L164 PolarHBondContact O-N 2.91Å; H161-L164 PolarHBondContact O-N 3.03Å; L164-V166 VanDerWaalsContact C-N 3.26Å; L164-V166 PolarHBondContact O-N 3.09Å; L164-M168 HydrophobicContact CB-CE 4.46Å; L164-M168 HydrophobicContact CD2-CB 4.28Å; L164-M168 HydrophobicContact CD2-SD 4.11Å; L164-M168 WeakPolarHBondContact O-CA 3.34Å; L164-M168 WeakPolarHBondContact O-CB 3.42Å; L164-M168 PolarHBondContact O-N 3.11Å; L164-N169 PolarHBondContact O-N 3.32Å; L164-I208 HydrophobicContact CD2-CB 4.28Å; L164-I208 HydrophobicContact CD2-CG2 3.91Å
165	K	98.2	Very high	97.3	Very high	102 Å²	102	45.6 Å²	45.6	44%	0.443	23%	0.226	S	C	.	.	I	π-helix	trans	-57.2	-39.5	178.6	-163	-171.9	-175.2	-150.9	0	112	T115 H161 T163 N169 G170	T115-K165 HydrophobicContact CG2-CD 4.16Å; T115-K165 HydrophobicContact CG2-CG 4.11Å; T115-K165 WeakPolarHBondContact O-CE 3.25Å; T115-K165 PolarHBondContact O-NZ 3.08Å; T115-K165 PolarHBondContact OG1-NZ 2.82Å; H161-K165 WeakPolarHBondContact O-CB 3.31Å; H161-K165 PolarHBondContact O-N 2.84Å; T163-K165 VanDerWaalsContact C-N 3.3Å; T163-K165 PolarHBondContact O-N 2.84Å; K165-N169 WeakPolarHBondContact O-CB 3.26Å; K165-G170 PolarHBondContact O-N 2.79Å
166	V	98.2	Very high	97.5	Very high	20 Å²	20	49.4 Å²	49.4	12%	0.121	25%	0.245	C	C	.	.	I	π-helix	trans	-83.7	-58.7	177.8	-176.7	0	0	0	0	110.7	V114 T115 R145 T163 L164 M168 G170	V114-V166 HydrophobicContact CG2-CG1 3.92Å; T115-V166 HydrophobicContact CG2-CB 4.34Å; T115-V166 HydrophobicContact CG2-CG2 3.48Å; T115-V166 VanDerWaalsContact CG2-CG2 3.48Å; R145-V166 HydrophobicContact CG-CB 4.16Å; R145-V166 HydrophobicContact CG-CG1 4.43Å; R145-V166 HydrophobicContact CG-CG2 4.19Å; T163-V166 PolarHBondContact O-N 2.82Å; L164-V166 VanDerWaalsContact C-N 3.26Å; L164-V166 PolarHBondContact O-N 3.09Å; V166-M168 PolarHBondContact O-N 2.88Å; V166-G170 WeakPolarHBondContact O-CA 3.35Å; V166-G170 PolarHBondContact O-N 3.34Å
167	N	98.3	Very high	97.7	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	23%	0.225	C	C	.	.	I	π-helix	trans	-78.2	-23.4	-164.3	-67.3	9.3	0	0	0	113.9	G144 R145 T163 V171 S209 V213	G144-N167 WeakPolarHBondContact CA-OD1 3.19Å; R145-N167 PolarHBondContact N-OD1 3.07Å; R145-N167 PolarHBondContact O-ND2 2.91Å; R145-N167 PolarHBondContact O-OD1 3.09Å; T163-N167 WeakPolarHBondContact O-CB 3.36Å; T163-N167 PolarHBondContact O-N 3.18Å; N167-V171 WeakPolarHBondContact O-CG2 3.48Å; N167-S209 VanDerWaalsContact CB-CB 3.44Å; N167-S209 VanDerWaalsContact CB-OG 3.24Å; N167-S209 WeakPolarHBondContact CB-OG 3.49Å; N167-S209 PolarHBondContact ND2-OG 2.89Å; N167-S209 VanDerWaalsContact ND2-OG 3.14Å; N167-V213 VanDerWaalsContact O-CG2 3.23Å; N167-V213 WeakPolarHBondContact O-CG2 3.47Å
168	M	98.4	Very high	97.9	Very high	48 Å²	48	39.1 Å²	39.1	24%	0.236	20%	0.199	C	C	.	.	I	π-helix	trans	-111.3	-64.2	-179.8	178.8	-172.2	84.6	0	0	110.3	L164 V166 G170 V171 I172 A212	L164-M168 HydrophobicContact CB-CE 4.46Å; L164-M168 HydrophobicContact CD2-CB 4.28Å; L164-M168 HydrophobicContact CD2-SD 4.11Å; L164-M168 WeakPolarHBondContact O-CA 3.34Å; L164-M168 WeakPolarHBondContact O-CB 3.42Å; L164-M168 PolarHBondContact O-N 3.11Å; V166-M168 PolarHBondContact O-N 2.88Å; M168-G170 VanDerWaalsContact C-N 3.32Å; M168-G170 PolarHBondContact O-N 2.95Å; M168-V171 PolarHBondContact O-N 3.48Å; M168-I172 HydrophobicContact CG-CD1 4Å; M168-I172 WeakPolarHBondContact O-CG1 3.23Å; M168-I172 PolarHBondContact O-N 2.81Å; M168-A212 HydrophobicContact CB-CB 4.43Å; M168-A212 HydrophobicContact CG-CB 3.77Å; M168-A212 HydrophobicContact SD-CB 3.63Å
169	N	98.7	Very high	98	Very high	81 Å²	81	34.7 Å²	34.7	43%	0.433	18%	0.179	S	C	.	.	I	π-helix	trans	-62.4	-41.2	-176.4	-68.4	-11	0	0	0	111.3	L164 K165 V171 I172 A173	L164-N169 PolarHBondContact O-N 3.32Å; K165-N169 WeakPolarHBondContact O-CB 3.26Å; N169-V171 PolarHBondContact O-N 2.94Å; N169-I172 PolarHBondContact O-N 2.81Å; N169-A173 VanDerWaalsContact O-CB 3.22Å; N169-A173 WeakPolarHBondContact O-CB 3.24Å; N169-A173 PolarHBondContact O-N 3.09Å
170	G	98.7	Very high	98.2	Very high	2 Å²	2	38 Å²	38	2%	0.021	20%	0.201	C	C	.	.	I	π-helix	trans	-61	-42.7	176.2	0	0	0	0	0	113.1	V114 K165 V166 M168 A173 M174	V114-G170 VanDerWaalsContact O-CA 3.24Å; V114-G170 WeakPolarHBondContact O-CA 3.29Å; K165-G170 PolarHBondContact O-N 2.79Å; V166-G170 WeakPolarHBondContact O-CA 3.35Å; V166-G170 PolarHBondContact O-N 3.34Å; M168-G170 VanDerWaalsContact C-N 3.32Å; M168-G170 PolarHBondContact O-N 2.95Å; G170-A173 PolarHBondContact O-N 3.34Å; G170-M174 VanDerWaalsContact O-CB 3.28Å; G170-M174 WeakPolarHBondContact O-CB 3.43Å; G170-M174 WeakPolarHBondContact O-CG 3.42Å; G170-M174 PolarHBondContact O-N 3.46Å
171	V	98.8	Very high	98.3	Very high	8 Å²	8	36.6 Å²	36.6	5%	0.048	20%	0.196	C	C	.	.	H	α-helix	trans	-63.3	-45.8	176.4	175.6	0	0	0	0	111	N141 N167 M168 N169 T175 V213 F216	N141-V171 HydrophobicContact CB-CG1 4.02Å; N141-V171 HydrophobicContact CB-CG2 4.25Å; N167-V171 WeakPolarHBondContact O-CG2 3.48Å; M168-V171 PolarHBondContact O-N 3.48Å; N169-V171 PolarHBondContact O-N 2.94Å; V171-T175 VanDerWaalsContact O-CB 3.25Å; V171-T175 WeakPolarHBondContact O-CB 3.34Å; V171-T175 PolarHBondContact O-N 3.2Å; V171-T175 PolarHBondContact O-OG1 2.85Å; V171-V213 HydrophobicContact CB-CG2 4.4Å; V171-V213 HydrophobicContact CG1-CG2 4.38Å; V171-V213 HydrophobicContact CG2-CG2 4.19Å; V171-F216 HydrophobicContact CG1-CD1 4.38Å; V171-F216 HydrophobicContact CG1-CE1 4.36Å
172	I	98.8	Very high	98.4	Very high	59 Å²	59	31.2 Å²	31.2	30%	0.303	17%	0.171	S	C	.	.	H	α-helix	trans	-62.7	-51.6	178.2	-65.7	168.4	0	0	0	109.9	M168 N169 M174 T175 M176 F216	M168-I172 HydrophobicContact CG-CD1 4Å; M168-I172 WeakPolarHBondContact O-CG1 3.23Å; M168-I172 PolarHBondContact O-N 2.81Å; N169-I172 PolarHBondContact O-N 2.81Å; I172-M174 PolarHBondContact O-N 3.11Å; I172-T175 PolarHBondContact O-N 2.92Å; I172-M176 HydrophobicContact CG2-CG 4.12Å; I172-M176 WeakPolarHBondContact O-CB 3.5Å; I172-M176 VanDerWaalsContact O-CG 3.24Å; I172-M176 WeakPolarHBondContact O-CG 3.39Å; I172-M176 PolarHBondContact O-N 3.24Å; I172-F216 HydrophobicContact CB-CZ 4.43Å; I172-F216 HydrophobicContact CG1-CD1 4.07Å; I172-F216 HydrophobicContact CG1-CD2 3.99Å; I172-F216 HydrophobicContact CG1-CE1 4.14Å; I172-F216 HydrophobicContact CG1-CE2 4.06Å; I172-F216 HydrophobicContact CG1-CG 3.99Å; I172-F216 HydrophobicContact CG1-CZ 4.14Å; I172-F216 HydrophobicContact CG2-CE2 4.32Å; I172-F216 HydrophobicContact CG2-CZ 4.45Å
173	A	98.8	Very high	98.5	Very high	21 Å²	21	33.9 Å²	33.9	17%	0.174	18%	0.178	C	C	.	.	H	α-helix	trans	-61.6	-45.8	-176.9	0	0	0	0	0	112.3	I120 N169 G170 T177	I120-A173 HydrophobicContact CD1-CB 3.57Å; N169-A173 VanDerWaalsContact O-CB 3.22Å; N169-A173 WeakPolarHBondContact O-CB 3.24Å; N169-A173 PolarHBondContact O-N 3.09Å; G170-A173 PolarHBondContact O-N 3.34Å; A173-T177 VanDerWaalsContact O-CB 3.22Å; A173-T177 WeakPolarHBondContact O-CB 3.47Å; A173-T177 PolarHBondContact O-N 2.61Å; A173-T177 PolarHBondContact O-OG1 3.32Å
174	M	98.8	Very high	98.5	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-59	-49.1	174.6	-75.4	-62.1	-53.5	0	0	111.4	F63 T65 L112 V114 I120 I139 N141 G170 I172 T177 F178	F63-M174 HydrophobicContact CD1-CE 4.13Å; F63-M174 HydrophobicContact CE1-CE 3.71Å; F63-M174 HydrophobicContact CZ-CE 4.39Å; T65-M174 HydrophobicContact CG2-CE 3.73Å; T65-M174 HydrophobicContact CG2-CG 4.22Å; T65-M174 HydrophobicContact CG2-SD 4.38Å; L112-M174 HydrophobicContact CD1-SD 3.97Å; L112-M174 HydrophobicContact CD2-CE 3.98Å; L112-M174 HydrophobicContact CD2-SD 3.97Å; V114-M174 HydrophobicContact CB-CG 4.38Å; V114-M174 HydrophobicContact CG1-CG 3.92Å; V114-M174 HydrophobicContact CG1-SD 4.22Å; I120-M174 HydrophobicContact CB-SD 4.24Å; I120-M174 HydrophobicContact CD1-CG 4.4Å; I120-M174 HydrophobicContact CD1-SD 4.18Å; I120-M174 HydrophobicContact CG1-SD 3.74Å; I120-M174 HydrophobicContact CG2-SD 3.76Å; I139-M174 HydrophobicContact CD1-CB 4.32Å; I139-M174 HydrophobicContact CD1-CE 4.06Å; N141-M174 WeakPolarHBondContact OD1-CB 3.42Å; G170-M174 VanDerWaalsContact O-CB 3.28Å; G170-M174 WeakPolarHBondContact O-CB 3.43Å; G170-M174 WeakPolarHBondContact O-CG 3.42Å; G170-M174 PolarHBondContact O-N 3.46Å; I172-M174 PolarHBondContact O-N 3.11Å; M174-T177 PolarHBondContact O-N 2.8Å; M174-F178 HydrophobicContact CE-CD2 3.81Å; M174-F178 HydrophobicContact CE-CE1 4.43Å; M174-F178 HydrophobicContact CE-CE2 3.37Å; M174-F178 HydrophobicContact CE-CZ 3.72Å; M174-F178 WeakPolarHBondContact O-CB 3.39Å; M174-F178 VanDerWaalsContact O-CD2 3.28Å; M174-F178 WeakPolarHBondContact O-CD2 3.2Å; M174-F178 PolarHBondContact O-N 3.48Å; M174-F178 HydrophobicContact SD-CE2 4.16Å
175	T	98.8	Very high	98.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.5	-50.2	-178.2	-58.2	0	0	0	0	111.6	N141 V171 I172 T177 F178 L179 I189 F216 L220	N141-T175 PolarHBondContact ND2-OG1 2.95Å; V171-T175 VanDerWaalsContact O-CB 3.25Å; V171-T175 WeakPolarHBondContact O-CB 3.34Å; V171-T175 PolarHBondContact O-N 3.2Å; V171-T175 PolarHBondContact O-OG1 2.85Å; I172-T175 PolarHBondContact O-N 2.92Å; T175-T177 PolarHBondContact O-N 3.4Å; T175-F178 PolarHBondContact O-N 3.26Å; T175-L179 WeakPolarHBondContact O-CB 3.44Å; T175-L179 PolarHBondContact O-N 3.17Å; T175-I189 HydrophobicContact CG2-CD1 3.94Å; T175-I189 HydrophobicContact CG2-CG2 4.15Å; T175-F216 HydrophobicContact CG2-CE1 4.12Å; T175-F216 HydrophobicContact CG2-CZ 3.98Å; T175-L220 HydrophobicContact CG2-CD2 3.46Å; T175-L220 VanDerWaalsContact CG2-CD2 3.46Å
176	M	98.5	Very high	98.5	Very high	100 Å²	100	42.7 Å²	42.7	49%	0.493	21%	0.214	S	C	.	.	H	α-helix	trans	-66.3	-39.8	-177.5	-64.7	-55.7	-69.5	0	0	111.8	I172	I172-M176 HydrophobicContact CG2-CG 4.12Å; I172-M176 WeakPolarHBondContact O-CB 3.5Å; I172-M176 VanDerWaalsContact O-CG 3.24Å; I172-M176 WeakPolarHBondContact O-CG 3.39Å; I172-M176 PolarHBondContact O-N 3.24Å
177	T	98.8	Very high	98.5	Very high	21 Å²	21	41.8 Å²	41.8	13%	0.129	21%	0.209	C	C	.	.	H	α-helix	trans	-69.2	-37	-179.5	-53.7	0	0	0	0	111.9	Q117 I120 M124 A173 M174 T175 P180	Q117-T177 PolarHBondContact NE2-OG1 2.78Å; I120-T177 HydrophobicContact CG2-CG2 3.89Å; M124-T177 HydrophobicContact CB-CG2 3.91Å; M124-T177 HydrophobicContact CE-CG2 4.46Å; M124-T177 HydrophobicContact CG-CG2 4.01Å; A173-T177 VanDerWaalsContact O-CB 3.22Å; A173-T177 WeakPolarHBondContact O-CB 3.47Å; A173-T177 PolarHBondContact O-N 2.61Å; A173-T177 PolarHBondContact O-OG1 3.32Å; M174-T177 PolarHBondContact O-N 2.8Å; T175-T177 PolarHBondContact O-N 3.4Å; T177-P180 WeakPolarHBondContact O-CD 3.44Å
178	F	98.8	Very high	98.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-88.9	-10.7	-178	-78	-115.2	0	0	0	113.7	F63 I120 A123 M124 T127 L136 I139 M174 T175 P180 L181 I182	F63-F178 HydrophobicContact CD1-CE1 4.36Å; F63-F178 AromaticContact CD2-CE1 3.76Å; F63-F178 HydrophobicContact CD2-CE1 3.76Å; F63-F178 HydrophobicContact CD2-CZ 4.31Å; F63-F178 HydrophobicContact CE1-CZ 4.46Å; F63-F178 HydrophobicContact CE2-CE1 4.01Å; F63-F178 HydrophobicContact CE2-CZ 4.1Å; F63-F178 AromaticContact CG-CE1 3.96Å; F63-F178 HydrophobicContact CG-CE1 3.96Å; F63-F178 HydrophobicContact CZ-CE1 4.43Å; F63-F178 HydrophobicContact CZ-CZ 4.19Å; I120-F178 HydrophobicContact CG2-CE2 4.22Å; A123-F178 HydrophobicContact CB-CZ 4.29Å; M124-F178 HydrophobicContact CB-CD2 4.21Å; M124-F178 HydrophobicContact CB-CE2 3.74Å; M124-F178 HydrophobicContact CB-CZ 3.96Å; M124-F178 HydrophobicContact CG-CD2 4.28Å; M124-F178 HydrophobicContact CG-CE2 4.28Å; M124-F178 HydrophobicContact CG-CG 4.5Å; T127-F178 HydrophobicContact CG2-CD1 4.38Å; T127-F178 HydrophobicContact CG2-CE1 3.94Å; T127-F178 WeakPolarHBondContact OG1-CE1 3.48Å; L136-F178 HydrophobicContact CD2-CD1 3.74Å; L136-F178 HydrophobicContact CD2-CE1 4.5Å; I139-F178 HydrophobicContact CD1-CB 3.94Å; I139-F178 HydrophobicContact CD1-CD1 4.27Å; I139-F178 HydrophobicContact CD1-CD2 4.46Å; I139-F178 HydrophobicContact CD1-CG 3.98Å; M174-F178 HydrophobicContact CE-CD2 3.81Å; M174-F178 HydrophobicContact CE-CE1 4.43Å; M174-F178 HydrophobicContact CE-CE2 3.37Å; M174-F178 HydrophobicContact CE-CZ 3.72Å; M174-F178 WeakPolarHBondContact O-CB 3.39Å; M174-F178 VanDerWaalsContact O-CD2 3.28Å; M174-F178 WeakPolarHBondContact O-CD2 3.2Å; M174-F178 PolarHBondContact O-N 3.48Å; M174-F178 HydrophobicContact SD-CE2 4.16Å; T175-F178 PolarHBondContact O-N 3.26Å; F178-P180 VanDerWaalsContact C-N 3.32Å; F178-L181 PolarHBondContact O-N 3.3Å; F178-I182 HydrophobicContact CB-CD1 4.04Å; F178-I182 WeakPolarHBondContact O-CG1 3.32Å; F178-I182 PolarHBondContact O-N 3.48Å
179	L	98.5	Very high	98.5	Very high	31 Å²	31	39.8 Å²	39.8	16%	0.162	20%	0.198	C	C	.	.	H	α-helix	trans	-51.3	-39.6	-176.4	-168.2	61.7	0	0	0	114.4	T175 L181 I182 K183 I189 I224 I229	T175-L179 WeakPolarHBondContact O-CB 3.44Å; T175-L179 PolarHBondContact O-N 3.17Å; L179-L181 VanDerWaalsContact C-N 3.35Å; L179-L181 PolarHBondContact O-N 3.02Å; L179-I182 PolarHBondContact O-N 3.45Å; L179-K183 VanDerWaalsContact O-CB 3.26Å; L179-K183 WeakPolarHBondContact O-CB 3.39Å; L179-K183 PolarHBondContact O-N 2.94Å; L179-I189 HydrophobicContact CD1-CD1 4.03Å; L179-I224 HydrophobicContact CD1-CD1 4.1Å; L179-I224 HydrophobicContact CD2-CG2 4.45Å; L179-I229 HydrophobicContact CD1-CD1 4.1Å
180	P	98.4	Very high	98.5	Very high	87 Å²	87	35.9 Å²	35.9	57%	0.565	18%	0.178	S	C	*	.	H	α-helix	trans	-59.9	-40.7	176.9	-25.3	36.1	0	0	0	113.6	T177 F178 K184	T177-P180 WeakPolarHBondContact O-CD 3.44Å; F178-P180 VanDerWaalsContact C-N 3.32Å; P180-K184 PolarHBondContact O-N 3.11Å; P180-K184 VanDerWaalsContact O-N 3.12Å
181	L	98.8	Very high	98.5	Very high	14 Å²	14	35.8 Å²	35.8	7%	0.073	18%	0.177	C	C	.	.	H	α-helix	trans	-69.9	-38.5	178.5	-59.3	-177.9	0	0	0	111.2	M124 T127 K128 V131 G135 L136 F178 L179 K184 A185	M124-L181 HydrophobicContact CG-CD1 4.34Å; M124-L181 HydrophobicContact SD-CD1 4.34Å; T127-L181 HydrophobicContact CG2-CD1 3.84Å; K128-L181 HydrophobicContact CB-CD1 4.18Å; K128-L181 HydrophobicContact CB-CD2 4.19Å; K128-L181 HydrophobicContact CG-CD2 4.05Å; V131-L181 HydrophobicContact CG2-CD1 4.46Å; V131-L181 HydrophobicContact CG2-CD2 4.41Å; G135-L181 WeakPolarHBondContact CA-O 3.35Å; L136-L181 HydrophobicContact CB-CB 3.79Å; L136-L181 PolarHBondContact N-O 3.49Å; F178-L181 PolarHBondContact O-N 3.3Å; L179-L181 VanDerWaalsContact C-N 3.35Å; L179-L181 PolarHBondContact O-N 3.02Å; L181-K184 WeakPolarHBondContact O-CB 3.33Å; L181-K184 PolarHBondContact O-N 2.95Å; L181-A185 PolarHBondContact O-N 2.95Å
182	I	98.6	Very high	98.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67.6	-42.6	178.7	-60.8	161.8	0	0	0	110.6	L136 I139 F178 L179 K184 A185 R186 G187 I189 I229	L136-I182 HydrophobicContact CB-CG1 4.22Å; L136-I182 HydrophobicContact CD2-CG1 3.98Å; L136-I182 HydrophobicContact CG-CG1 4.34Å; L136-I182 WeakPolarHBondContact O-CA 3.43Å; I139-I182 HydrophobicContact CB-CD1 3.98Å; I139-I182 HydrophobicContact CG2-CD1 3.41Å; I139-I182 VanDerWaalsContact CG2-CD1 3.41Å; I139-I182 HydrophobicContact CG2-CG1 4.46Å; F178-I182 HydrophobicContact CB-CD1 4.04Å; F178-I182 WeakPolarHBondContact O-CG1 3.32Å; F178-I182 PolarHBondContact O-N 3.48Å; L179-I182 PolarHBondContact O-N 3.45Å; I182-K184 VanDerWaalsContact C-N 3.31Å; I182-K184 PolarHBondContact O-N 3.07Å; I182-A185 PolarHBondContact O-N 3.05Å; I182-R186 PolarHBondContact O-N 3.31Å; I182-G187 PolarHBondContact O-N 3.48Å; I182-I189 HydrophobicContact CD1-CD1 4.43Å; I182-I189 HydrophobicContact CD1-CG1 4.03Å; I182-I189 HydrophobicContact CG2-CG1 4.2Å; I182-I229 HydrophobicContact CG2-CD1 4.48Å; I182-I229 HydrophobicContact CG2-CG2 3.85Å
183	K	98.1	Very high	98.5	Very high	91 Å²	91	33.1 Å²	33.1	40%	0.396	16%	0.163	S	C	.	.	H	α-helix	trans	-60.7	-40.2	175.9	-175.5	169.2	174.9	169.8	0	111.8	L179 A185 R186 F227 I229	L179-K183 VanDerWaalsContact O-CB 3.26Å; L179-K183 WeakPolarHBondContact O-CB 3.39Å; L179-K183 PolarHBondContact O-N 2.94Å; K183-A185 VanDerWaalsContact C-N 3.29Å; K183-A185 PolarHBondContact O-N 3.06Å; K183-R186 PolarHBondContact O-N 3.31Å; K183-R186 VanDerWaalsContact O-N 3.16Å; K183-F227 HydrophobicContact CD-CD1 4.3Å; K183-F227 HydrophobicContact CD-CD2 4.47Å; K183-F227 HydrophobicContact CD-CG 4.16Å; K183-F227 HydrophobicContact CG-CB 4.29Å; K183-F227 HydrophobicContact CG-CG 4.46Å; K183-I229 HydrophobicContact CB-CD1 3.84Å; K183-I229 HydrophobicContact CG-CD1 4.23Å
184	K	98.1	Very high	98.4	Very high	109 Å²	109	32.5 Å²	32.5	47%	0.474	16%	0.158	S	C	.	.	H	α-helix	trans	-58.5	-40.4	175.7	-167.5	172	-168.8	176.2	0	112.3	D133 P180 L181 I182	D133-K184 WeakPolarHBondContact O-CE 3.25Å; D133-K184 IonicContact OD1-NZ 3.58Å; D133-K184 PolarHBondContact OD1-NZ 3.22Å; P180-K184 PolarHBondContact O-N 3.11Å; P180-K184 VanDerWaalsContact O-N 3.12Å; L181-K184 WeakPolarHBondContact O-CB 3.33Å; L181-K184 PolarHBondContact O-N 2.95Å; I182-K184 VanDerWaalsContact C-N 3.31Å; I182-K184 PolarHBondContact O-N 3.07Å
185	A	97.6	Very high	98.3	Very high	22 Å²	22	32.5 Å²	32.5	18%	0.182	16%	0.158	C	C	.	.	H	α-helix	trans	-85.7	-6	179.1	0	0	0	0	0	114.6	R134 L136 L181 I182 K183 G187	R134-A185 WeakPolarHBondContact O-CB 3.39Å; L136-A185 VanDerWaalsContact O-CB 3.31Å; L136-A185 WeakPolarHBondContact O-CB 3.38Å; L181-A185 PolarHBondContact O-N 2.95Å; I182-A185 PolarHBondContact O-N 3.05Å; K183-A185 VanDerWaalsContact C-N 3.29Å; K183-A185 PolarHBondContact O-N 3.06Å; A185-G187 PolarHBondContact O-N 3.41Å
186	R	97.7	Very high	98.2	Very high	181 Å²	181	32.6 Å²	32.6	68%	0.683	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.5	46.1	-164.7	-55.8	-179.6	-177.1	178.1	-0.2	111.1	I182 K183	I182-R186 PolarHBondContact O-N 3.31Å; K183-R186 PolarHBondContact O-N 3.31Å; K183-R186 VanDerWaalsContact O-N 3.16Å
187	G	97.9	Very high	98.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.			trans	-82.1	-153.2	-166.9	0	0	0	0	0	114.7	W137 I182 A185 I229 K230	W137-G187 CarbonylContact O-C 3.54Å; W137-G187 VanDerWaalsContact O-C 3.32Å; W137-G187 WeakPolarHBondContact O-CA 3.49Å; I182-G187 PolarHBondContact O-N 3.48Å; A185-G187 PolarHBondContact O-N 3.41Å; G187-I229 WeakPolarHBondContact O-CA 3.4Å; G187-I229 WeakPolarHBondContact O-CG2 3.35Å; G187-K230 PolarHBondContact O-N 3.23Å; G187-K230 VanDerWaalsContact O-N 3.13Å
188	R	98.6	Very high	98	Very high	7 Å²	7	29.3 Å²	29.3	3%	0.026	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	142.6	-172.1	-51	-169.2	-170.7	-165.4	-0.8	111.7	W137 G138 I139 K230 A302 L303 A305	W137-R188 HydrophobicContact CZ2-CG 4.23Å; W137-R188 PolarHBondContact O-N 3.35Å; G138-R188 CarbonylContact C-O 3.55Å; G138-R188 VanDerWaalsContact CA-O 3.3Å; G138-R188 WeakPolarHBondContact CA-O 3.48Å; I139-R188 PolarHBondContact N-O 2.95Å; R188-K230 CarbonylContact C-O 3.51Å; R188-K230 VanDerWaalsContact CA-O 3.31Å; R188-K230 WeakPolarHBondContact CA-O 3.49Å; R188-K230 HydrophobicContact CG-CB 4.47Å; R188-A302 WeakPolarHBondContact CD-O 3.41Å; R188-A302 PolarHBondContact NH1-O 3.35Å; R188-L303 VanDerWaalsContact CZ-C 3.49Å; R188-L303 PolarHBondContact NE-O 2.86Å; R188-L303 PolarHBondContact NH1-O 3.18Å; R188-A305 PolarHBondContact NH1-O 3.07Å; R188-A305 PolarHBondContact NH2-O 3.42Å
189	I	98.9	Very high	97.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	118.6	173.8	-60	169.7	0	0	0	106.6	I139 T175 L179 I182 L220 I224 I229 K230 V231 C232	I139-I189 HydrophobicContact CG2-CB 4.15Å; I139-I189 HydrophobicContact CG2-CG1 3.88Å; I139-I189 HydrophobicContact CG2-CG2 4.05Å; T175-I189 HydrophobicContact CG2-CD1 3.94Å; T175-I189 HydrophobicContact CG2-CG2 4.15Å; L179-I189 HydrophobicContact CD1-CD1 4.03Å; I182-I189 HydrophobicContact CD1-CD1 4.43Å; I182-I189 HydrophobicContact CD1-CG1 4.03Å; I182-I189 HydrophobicContact CG2-CG1 4.2Å; I189-L220 HydrophobicContact CD1-CD2 3.82Å; I189-L220 HydrophobicContact CG2-CD2 4.45Å; I189-I224 HydrophobicContact CD1-CD1 3.74Å; I189-I229 HydrophobicContact CD1-CG2 4.06Å; I189-I229 HydrophobicContact CG1-CG2 4.26Å; I189-K230 PolarHBondContact N-O 2.88Å; I189-V231 HydrophobicContact CB-CG1 4.41Å; I189-V231 HydrophobicContact CB-CG2 4.28Å; I189-V231 HydrophobicContact CD1-CG2 4.3Å; I189-V231 HydrophobicContact CG2-CG1 4.4Å; I189-V231 CarbonylContact O-C 3.56Å; I189-V231 WeakPolarHBondContact O-CA 3.47Å; I189-C232 PolarHBondContact O-N 2.97Å
190	V	98.9	Very high	97.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	110.1	179	-176.1	0	0	0	0	108	I139 V140 N141 C232 I234 A302 L303	I139-V190 PolarHBondContact O-N 3.08Å; V140-V190 CarbonylContact C-O 3.51Å; V140-V190 WeakPolarHBondContact CA-O 3.42Å; V140-V190 HydrophobicContact CB-CB 4.46Å; V140-V190 HydrophobicContact CG1-CB 4.3Å; V140-V190 HydrophobicContact CG1-CG1 4.28Å; V140-V190 HydrophobicContact CG2-CB 4.1Å; V140-V190 HydrophobicContact CG2-CG2 4.43Å; N141-V190 PolarHBondContact N-O 2.89Å; V190-C232 WeakPolarHBondContact CA-O 3.33Å; V190-C232 HydrophobicContact CG2-CB 4.41Å; V190-I234 HydrophobicContact CG1-CD1 3.87Å; V190-I234 HydrophobicContact CG1-CG1 3.6Å; V190-A302 HydrophobicContact CG1-CB 4.24Å; V190-A302 HydrophobicContact CG2-CB 3.84Å; V190-L303 HydrophobicContact CG2-CD2 4.06Å; V190-L303 HydrophobicContact CG2-CG 4.28Å
191	N	98.9	Very high	97.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	125.4	-179.4	-69.2	-20.8	0	0	0	110	N141 A193 V213 S217 C232 I233 I234	N141-N191 WeakPolarHBondContact CB-OD1 3.31Å; N141-N191 PolarHBondContact ND2-OD1 3.16Å; N191-A193 PolarHBondContact O-N 3.43Å; N191-V213 HydrophobicContact CB-CG1 3.85Å; N191-S217 PolarHBondContact ND2-OG 3.47Å; N191-C232 PolarHBondContact N-O 3.44Å; N191-I233 WeakPolarHBondContact O-CA 3.28Å; N191-I234 PolarHBondContact O-N 3.49Å
192	V	98.7	Very high	96.4	Very high	9 Å²	9	29.4 Å²	29.4	6%	0.055	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	99.6	179.5	-172.7	0	0	0	0	109.2	V140 N141 N142 K210 P236 M299	V140-V192 HydrophobicContact CG1-CG2 4.31Å; N141-V192 WeakPolarHBondContact O-CB 3.37Å; N141-V192 WeakPolarHBondContact O-CG2 3.49Å; N141-V192 PolarHBondContact O-N 2.94Å; N142-V192 HydrophobicContact CB-CG2 3.85Å; V192-K210 PolarHBondContact O-NZ 3.36Å; V192-P236 HydrophobicContact CG1-CG 4.21Å; V192-M299 HydrophobicContact CB-CE 4.31Å; V192-M299 HydrophobicContact CG1-CE 3.93Å; V192-M299 HydrophobicContact CG2-CE 3.36Å
193	A	97.6	Very high	95.7	Very high	2 Å²	2	30.2 Å²	30.2	2%	0.017	16%	0.155	C	C	.	.			trans	-85.4	-132.1	174.1	0	0	0	0	0	110.1	N191 K210 V213 E214 I233 I234	N191-A193 PolarHBondContact O-N 3.43Å; A193-K210 WeakPolarHBondContact O-CE 3.39Å; A193-K210 PolarHBondContact O-NZ 2.97Å; A193-V213 HydrophobicContact CB-CG1 4.19Å; A193-E214 HydrophobicContact CB-CG 4.43Å; A193-E214 WeakPolarHBondContact CB-OE1 3.32Å; A193-I233 HydrophobicContact CB-CG2 3.59Å; A193-I234 CarbonylContact C-O 3.54Å; A193-I234 WeakPolarHBondContact CA-O 3.31Å; A193-I234 WeakPolarHBondContact CB-O 3.45Å; A193-I234 PolarHBondContact N-O 2.92Å
194	S	97.5	Very high	95.3	Very high	8 Å²	8	26.1 Å²	26.1	6%	0.056	14%	0.138	C	C	.	.			trans	-172	159.1	175.9	176.5	0	0	0	0	107.8	L196 G197	S194-L196 PolarHBondContact O-N 3.3Å; S194-L196 VanDerWaalsContact O-N 3.15Å; S194-L196 PolarHBondContact OG-N 3.06Å; S194-G197 WeakPolarHBondContact O-CA 3.28Å; S194-G197 PolarHBondContact O-N 3.01Å
195	V	96.8	Very high	95.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-53.5	-27.9	161.7	-64.1	0	0	0	0	112.3	G197 R198 V199 P236 A318 W322 I323	V195-G197 PolarHBondContact O-N 2.85Å; V195-R198 WeakPolarHBondContact O-CB 3.48Å; V195-R198 PolarHBondContact O-N 3.08Å; V195-V199 PolarHBondContact O-N 2.87Å; V195-V199 VanDerWaalsContact O-N 3.16Å; V195-P236 WeakPolarHBondContact CG1-O 3.27Å; V195-P236 PolarHBondContact N-O 3.23Å; V195-A318 HydrophobicContact CG1-CB 3.4Å; V195-W322 HydrophobicContact CB-CB 3.65Å; V195-W322 HydrophobicContact CB-CG 4.15Å; V195-W322 HydrophobicContact CG1-CB 4.06Å; V195-W322 HydrophobicContact CG2-CB 3.96Å; V195-W322 HydrophobicContact CG2-CG 3.87Å; V195-I323 HydrophobicContact CG1-CG1 4.36Å
196	L	96.1	Very high	95.1	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.016	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-74.4	-0.2	173.7	-61	-174.4	0	0	0	114.4	S194 R198 V199 A201 N202 Y206 F211 F238	S194-L196 PolarHBondContact O-N 3.3Å; S194-L196 VanDerWaalsContact O-N 3.15Å; S194-L196 PolarHBondContact OG-N 3.06Å; L196-R198 VanDerWaalsContact C-N 3.34Å; L196-V199 VanDerWaalsContact CA-O 3.3Å; L196-V199 WeakPolarHBondContact CA-O 3.5Å; L196-V199 WeakPolarHBondContact CD2-O 3.47Å; L196-A201 HydrophobicContact CD2-CB 3.85Å; L196-N202 HydrophobicContact CD1-CB 4.32Å; L196-Y206 HydrophobicContact CB-CD1 4.32Å; L196-Y206 HydrophobicContact CB-CE1 4.13Å; L196-Y206 HydrophobicContact CD1-CD1 3.92Å; L196-Y206 HydrophobicContact CD1-CE1 3.89Å; L196-F211 VanDerWaalsContact O-CD2 3.32Å; L196-F211 WeakPolarHBondContact O-CD2 3.48Å; L196-F211 VanDerWaalsContact O-CE2 3.24Å; L196-F211 WeakPolarHBondContact O-CE2 3.24Å; L196-F238 HydrophobicContact CD1-CZ 4.24Å
197	G	96.4	Very high	95	Very high	2 Å²	2	13 Å²	13	2%	0.021	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-86.8	-5.1	163	0	0	0	0	0	113.4	S194 V195 F211	S194-G197 WeakPolarHBondContact O-CA 3.28Å; S194-G197 PolarHBondContact O-N 3.01Å; V195-G197 PolarHBondContact O-N 2.85Å; G197-F211 VanDerWaalsContact O-CD1 3.22Å; G197-F211 WeakPolarHBondContact O-CD1 3.36Å; G197-F211 WeakPolarHBondContact O-CE1 3.48Å; G197-F211 WeakPolarHBondContact O-CG 3.45Å
198	R	96.3	Very high	95	Very high	50 Å²	50	17.2 Å²	17.2	19%	0.189	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-33.6	-179.7	-58.6	-62	-64.4	-86.5	-7.4	112.3	V195 L196 F211 E235 S326 Y327	V195-R198 WeakPolarHBondContact O-CB 3.48Å; V195-R198 PolarHBondContact O-N 3.08Å; L196-R198 VanDerWaalsContact C-N 3.34Å; R198-F211 WeakPolarHBondContact O-CZ 3.41Å; R198-E235 VanDerWaalsContact CD-OE1 3.25Å; R198-E235 WeakPolarHBondContact CD-OE1 3.34Å; R198-E235 WeakPolarHBondContact CG-OE1 3.33Å; R198-E235 IonicContact CZ-OE1 2.65Å; R198-E235 IonicContact NE-OE1 2.67Å; R198-E235 IonicContact NH1-OE1 3.27Å; R198-E235 PolarHBondContact NH1-OE1 3.26Å; R198-E235 IonicContact NH1-OE2 3.33Å; R198-S326 WeakPolarHBondContact O-CB 3.34Å; R198-Y327 PolarHBondContact NH2-OH 2.97Å
199	V	94.8	Very high	94.9	Very high	10 Å²	10	16.9 Å²	16.9	6%	0.061	10%	0.102	C	C	.	.	S	Bend	trans	-137	129.5	177.1	56.1	0	0	0	0	109.5	V195 L196 W322 V333	V195-V199 PolarHBondContact O-N 2.87Å; V195-V199 VanDerWaalsContact O-N 3.16Å; L196-V199 VanDerWaalsContact CA-O 3.3Å; L196-V199 WeakPolarHBondContact CA-O 3.5Å; L196-V199 WeakPolarHBondContact CD2-O 3.47Å; V199-W322 HydrophobicContact CG1-CB 4.14Å; V199-W322 HydrophobicContact CG1-CD2 4.49Å; V199-W322 HydrophobicContact CG1-CE3 3.72Å; V199-V333 HydrophobicContact CG2-CG1 3.83Å; V199-V333 HydrophobicContact CG2-CG2 4.23Å
200	A	93.4	Very high	94.9	Very high	61 Å²	61	17.4 Å²	17.4	50%	0.504	10%	0.104	S	C	.	.			trans	-86.6	114.8	179.3	0	0	0	0	0	109.9	C207 F211	A200-C207 HydrophobicContact CB-CB 4.33Å; A200-F211 HydrophobicContact CB-CE2 4.25Å
201	A	88.6	Confident	94.8	Very high	19 Å²	19	21.5 Å²	21.5	16%	0.157	12%	0.122	C	C	.	.			trans	-127.5	-6.9	179	0	0	0	0	0	113.8	L196 W322 L337	L196-A201 HydrophobicContact CD2-CB 3.85Å; A201-W322 HydrophobicContact CB-CH2 4.01Å; A201-W322 HydrophobicContact CB-CZ3 3.72Å; A201-L337 HydrophobicContact CB-CD1 4.26Å; A201-L337 HydrophobicContact CB-CD2 4.05Å
202	N	84.4	Confident	94.8	Very high	44 Å²	44	22.8 Å²	22.8	24%	0.235	13%	0.133	C	C	.	.	S	Bend	trans	-123.2	147.9	179.8	-63.3	12.4	0	0	0	110.2	M149 L196 C207	M149-N202 HydrophobicContact SD-CB 3.89Å; M149-N202 PolarHBondContact SD-ND2 3.5Å; L196-N202 HydrophobicContact CD1-CB 4.32Å; N202-C207 PolarHBondContact O-SG 3.04Å
203	G	84.7	Confident	94.8	Very high	17 Å²	17	22.5 Å²	22.5	18%	0.175	13%	0.131	C	C	.	.			trans	-78	176	170.5	0	0	0	0	0	113.2	G150	G150-G203 CarbonylContact O-C 3.53Å; G150-G203 VanDerWaalsContact O-CA 3.32Å; G150-G203 WeakPolarHBondContact O-CA 3.26Å
204	G	89.8	Confident	94.9	Very high	4 Å²	4	23 Å²	23	4%	0.041	13%	0.133	C	C	.	.	S	Bend	trans	78.6	-166.7	-179.9	0	0	0	0	0	115.2	M155 F160 Y206	M155-G204 WeakPolarHBondContact SD-CA 3.35Å; F160-G204 VanDerWaalsContact CE1-C 3.4Å; F160-G204 VanDerWaalsContact CE1-CA 3.4Å; G204-Y206 VanDerWaalsContact C-N 3.3Å; G204-Y206 PolarHBondContact O-N 3.46Å
205	G	94.8	Very high	94.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-76.5	-9.6	-173.1	0	0	0	0	0	115.2	S209	G205-S209 VanDerWaalsContact O-CB 3.29Å; G205-S209 WeakPolarHBondContact O-CB 3.43Å; G205-S209 PolarHBondContact O-N 3.18Å; G205-S209 PolarHBondContact O-OG 2.68Å
206	Y	95.7	Very high	95	Very high	32 Å²	32	28 Å²	28	13%	0.125	16%	0.164	C	C	.	.	H	α-helix	trans	-66.6	-58.1	-171.1	-172.1	-99.3	0	0	0	112.8	R145 L196 G204 I208 S209 K210 V243	R145-Y206 WeakPolarHBondContact O-CD2 3.3Å; L196-Y206 HydrophobicContact CB-CD1 4.32Å; L196-Y206 HydrophobicContact CB-CE1 4.13Å; L196-Y206 HydrophobicContact CD1-CD1 3.92Å; L196-Y206 HydrophobicContact CD1-CE1 3.89Å; G204-Y206 VanDerWaalsContact C-N 3.3Å; G204-Y206 PolarHBondContact O-N 3.46Å; Y206-I208 VanDerWaalsContact C-N 3.32Å; Y206-I208 PolarHBondContact O-N 3.15Å; Y206-S209 PolarHBondContact O-N 2.79Å; Y206-S209 VanDerWaalsContact O-N 3.13Å; Y206-S209 PolarHBondContact O-OG 3.35Å; Y206-K210 HydrophobicContact CD1-CG 4.3Å; Y206-K210 HydrophobicContact CE1-CG 3.93Å; Y206-K210 HydrophobicContact CE2-CG 4.38Å; Y206-K210 WeakPolarHBondContact O-CG 3.18Å; Y206-K210 PolarHBondContact O-N 3.02Å; Y206-K210 WeakPolarHBondContact OH-CE 3.4Å; Y206-V243 HydrophobicContact CE2-CG1 4.42Å
207	C	96.1	Very high	95.1	Very high	6 Å²	6	28 Å²	28	4%	0.041	16%	0.163	C	C	.	.	H	α-helix	trans	-56.1	-48.7	178.6	-63.4	0	0	0	0	110.5	A200 N202 S209 K210 F211	A200-C207 HydrophobicContact CB-CB 4.33Å; N202-C207 PolarHBondContact O-SG 3.04Å; C207-S209 VanDerWaalsContact C-N 3.28Å; C207-S209 PolarHBondContact O-N 2.79Å; C207-K210 PolarHBondContact O-N 3.37Å; C207-F211 WeakPolarHBondContact O-CD2 3.22Å; C207-F211 PolarHBondContact O-N 3.28Å
208	I	97.2	Very high	95.3	Very high	88 Å²	88	29.3 Å²	29.3	45%	0.451	17%	0.17	S	C	.	.	H	α-helix	trans	-52.2	-48.8	177.3	-53.6	178.5	0	0	0	110.7	F160 L164 Y206 K210 F211 A212	F160-I208 HydrophobicContact CD1-CD1 3.83Å; F160-I208 HydrophobicContact CE1-CD1 4.18Å; L164-I208 HydrophobicContact CD2-CB 4.28Å; L164-I208 HydrophobicContact CD2-CG2 3.91Å; Y206-I208 VanDerWaalsContact C-N 3.32Å; Y206-I208 PolarHBondContact O-N 3.15Å; I208-K210 VanDerWaalsContact C-N 3.32Å; I208-K210 PolarHBondContact O-N 3.04Å; I208-F211 PolarHBondContact O-N 3.08Å; I208-A212 WeakPolarHBondContact O-CB 3.24Å; I208-A212 PolarHBondContact O-N 3Å
209	S	97.9	Very high	95.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.8	-37.1	179.7	76	0	0	0	0	113.2	N167 G205 Y206 C207 A212 V213	N167-S209 VanDerWaalsContact CB-CB 3.44Å; N167-S209 VanDerWaalsContact CB-OG 3.24Å; N167-S209 WeakPolarHBondContact CB-OG 3.49Å; N167-S209 PolarHBondContact ND2-OG 2.89Å; N167-S209 VanDerWaalsContact ND2-OG 3.14Å; G205-S209 VanDerWaalsContact O-CB 3.29Å; G205-S209 WeakPolarHBondContact O-CB 3.43Å; G205-S209 PolarHBondContact O-N 3.18Å; G205-S209 PolarHBondContact O-OG 2.68Å; Y206-S209 PolarHBondContact O-N 2.79Å; Y206-S209 VanDerWaalsContact O-N 3.13Å; Y206-S209 PolarHBondContact O-OG 3.35Å; C207-S209 VanDerWaalsContact C-N 3.28Å; C207-S209 PolarHBondContact O-N 2.79Å; S209-A212 PolarHBondContact O-N 2.71Å; S209-V213 WeakPolarHBondContact O-CG2 3.3Å; S209-V213 PolarHBondContact O-N 3.16Å
210	K	97.7	Very high	95.5	Very high	10 Å²	10	29.2 Å²	29.2	4%	0.043	18%	0.177	C	C	.	.	H	α-helix	trans	-77.2	-36.5	-178	-64.4	-54.9	-167.4	173.8	0	112.2	V192 A193 Y206 C207 I208 A212 V213 E214	V192-K210 PolarHBondContact O-NZ 3.36Å; A193-K210 WeakPolarHBondContact O-CE 3.39Å; A193-K210 PolarHBondContact O-NZ 2.97Å; Y206-K210 HydrophobicContact CD1-CG 4.3Å; Y206-K210 HydrophobicContact CE1-CG 3.93Å; Y206-K210 HydrophobicContact CE2-CG 4.38Å; Y206-K210 WeakPolarHBondContact O-CG 3.18Å; Y206-K210 PolarHBondContact O-N 3.02Å; Y206-K210 WeakPolarHBondContact OH-CE 3.4Å; C207-K210 PolarHBondContact O-N 3.37Å; I208-K210 VanDerWaalsContact C-N 3.32Å; I208-K210 PolarHBondContact O-N 3.04Å; K210-A212 VanDerWaalsContact C-N 3.31Å; K210-V213 PolarHBondContact O-N 3.42Å; K210-E214 PolarHBondContact O-N 2.79Å; K210-E214 VanDerWaalsContact O-N 3.08Å
211	F	98.4	Very high	95.8	Very high	86 Å²	86	30.2 Å²	30.2	38%	0.377	17%	0.167	S	C	.	.	H	α-helix	trans	-61.7	-39.7	168.1	-88	-95.2	0	0	0	111.5	L196 G197 R198 A200 C207 I208 V213 E214 S215	L196-F211 VanDerWaalsContact O-CD2 3.32Å; L196-F211 WeakPolarHBondContact O-CD2 3.48Å; L196-F211 VanDerWaalsContact O-CE2 3.24Å; L196-F211 WeakPolarHBondContact O-CE2 3.24Å; G197-F211 VanDerWaalsContact O-CD1 3.22Å; G197-F211 WeakPolarHBondContact O-CD1 3.36Å; G197-F211 WeakPolarHBondContact O-CE1 3.48Å; G197-F211 WeakPolarHBondContact O-CG 3.45Å; R198-F211 WeakPolarHBondContact O-CZ 3.41Å; A200-F211 HydrophobicContact CB-CE2 4.25Å; C207-F211 WeakPolarHBondContact O-CD2 3.22Å; C207-F211 PolarHBondContact O-N 3.28Å; I208-F211 PolarHBondContact O-N 3.08Å; F211-V213 VanDerWaalsContact C-N 3.35Å; F211-V213 PolarHBondContact O-N 2.96Å; F211-E214 WeakPolarHBondContact O-CB 3.35Å; F211-E214 PolarHBondContact O-N 3.4Å; F211-S215 PolarHBondContact O-N 3.24Å
212	A	98.6	Very high	96.2	Very high	28 Å²	28	35.1 Å²	35.1	23%	0.231	18%	0.182	C	C	.	.	H	α-helix	trans	-62.9	-40.7	175.9	0	0	0	0	0	112	M168 I208 S209 K210 S215 F216	M168-A212 HydrophobicContact CB-CB 4.43Å; M168-A212 HydrophobicContact CG-CB 3.77Å; M168-A212 HydrophobicContact SD-CB 3.63Å; I208-A212 WeakPolarHBondContact O-CB 3.24Å; I208-A212 PolarHBondContact O-N 3Å; S209-A212 PolarHBondContact O-N 2.71Å; K210-A212 VanDerWaalsContact C-N 3.31Å; A212-S215 PolarHBondContact O-N 3.16Å; A212-F216 VanDerWaalsContact O-CB 3.24Å; A212-F216 WeakPolarHBondContact O-CB 3.32Å; A212-F216 PolarHBondContact O-N 3.48Å
213	V	98.7	Very high	96.8	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.018	20%	0.2	C	C	.	.	H	α-helix	trans	-64	-40.7	175.1	173.6	0	0	0	0	111.9	N167 V171 N191 A193 S209 K210 F211 S217	N167-V213 VanDerWaalsContact O-CG2 3.23Å; N167-V213 WeakPolarHBondContact O-CG2 3.47Å; V171-V213 HydrophobicContact CB-CG2 4.4Å; V171-V213 HydrophobicContact CG1-CG2 4.38Å; V171-V213 HydrophobicContact CG2-CG2 4.19Å; N191-V213 HydrophobicContact CB-CG1 3.85Å; A193-V213 HydrophobicContact CB-CG1 4.19Å; S209-V213 WeakPolarHBondContact O-CG2 3.3Å; S209-V213 PolarHBondContact O-N 3.16Å; K210-V213 PolarHBondContact O-N 3.42Å; F211-V213 VanDerWaalsContact C-N 3.35Å; F211-V213 PolarHBondContact O-N 2.96Å; V213-S217 VanDerWaalsContact O-CB 3.23Å; V213-S217 WeakPolarHBondContact O-CB 3.38Å; V213-S217 PolarHBondContact O-N 3.36Å; V213-S217 PolarHBondContact O-OG 3.14Å
214	E	98.6	Very high	97.4	Very high	12 Å²	12	38.2 Å²	38.2	6%	0.056	19%	0.194	C	C	.	.	H	α-helix	trans	-57	-53.5	173.9	-74.6	-67.7	149.3	0	0	111	A193 K210 F211 S217 D218 I233 E235 R311	A193-E214 HydrophobicContact CB-CG 4.43Å; A193-E214 WeakPolarHBondContact CB-OE1 3.32Å; K210-E214 PolarHBondContact O-N 2.79Å; K210-E214 VanDerWaalsContact O-N 3.08Å; F211-E214 WeakPolarHBondContact O-CB 3.35Å; F211-E214 PolarHBondContact O-N 3.4Å; E214-S217 PolarHBondContact O-N 2.87Å; E214-D218 PolarHBondContact O-N 2.9Å; E214-I233 WeakPolarHBondContact OE1-CG2 3.37Å; E214-I233 WeakPolarHBondContact OE2-CD1 3.47Å; E214-E235 WeakPolarHBondContact OE1-CG 3.48Å; E214-R311 IonicContact OE2-CZ 3.6Å; E214-R311 IonicContact OE2-NE 2.67Å; E214-R311 PolarHBondContact OE2-NE 2.88Å; E214-R311 VanDerWaalsContact OE2-NE 3.09Å; E214-R311 IonicContact OE2-NH2 3.78Å; E214-R311 PolarHBondContact OE2-NH2 3.31Å
215	S	98.6	Very high	97.7	Very high	76 Å²	76	40.6 Å²	40.6	53%	0.531	21%	0.21	S	C	.	.	H	α-helix	trans	-61	-49.6	-178.9	-177.8	0	0	0	0	112	F211 A212 S217 D218 C219	F211-S215 PolarHBondContact O-N 3.24Å; A212-S215 PolarHBondContact O-N 3.16Å; S215-S217 VanDerWaalsContact C-N 3.3Å; S215-S217 PolarHBondContact O-N 3.04Å; S215-D218 PolarHBondContact O-N 3.38Å; S215-C219 PolarHBondContact O-N 2.85Å; S215-C219 PolarHBondContact O-SG 3.09Å
216	F	98.8	Very high	97.7	Very high	38 Å²	38	50.6 Å²	50.6	17%	0.167	25%	0.249	C	C	.	.	H	α-helix	trans	-56.3	-45.4	177.1	171.5	-114.5	0	0	0	111.7	V171 I172 T175 A212 D218 C219 L220	V171-F216 HydrophobicContact CG1-CD1 4.38Å; V171-F216 HydrophobicContact CG1-CE1 4.36Å; I172-F216 HydrophobicContact CB-CZ 4.43Å; I172-F216 HydrophobicContact CG1-CD1 4.07Å; I172-F216 HydrophobicContact CG1-CD2 3.99Å; I172-F216 HydrophobicContact CG1-CE1 4.14Å; I172-F216 HydrophobicContact CG1-CE2 4.06Å; I172-F216 HydrophobicContact CG1-CG 3.99Å; I172-F216 HydrophobicContact CG1-CZ 4.14Å; I172-F216 HydrophobicContact CG2-CE2 4.32Å; I172-F216 HydrophobicContact CG2-CZ 4.45Å; T175-F216 HydrophobicContact CG2-CE1 4.12Å; T175-F216 HydrophobicContact CG2-CZ 3.98Å; A212-F216 VanDerWaalsContact O-CB 3.24Å; A212-F216 WeakPolarHBondContact O-CB 3.32Å; A212-F216 PolarHBondContact O-N 3.48Å; F216-D218 PolarHBondContact O-N 3.25Å; F216-C219 PolarHBondContact O-N 3.4Å; F216-L220 HydrophobicContact CE1-CD2 4.19Å; F216-L220 HydrophobicContact CZ-CD2 4.04Å; F216-L220 VanDerWaalsContact O-CB 3.23Å; F216-L220 WeakPolarHBondContact O-CB 3.23Å; F216-L220 PolarHBondContact O-N 2.97Å
217	S	98.8	Very high	97.8	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.007	26%	0.263	C	S	.	.	H	α-helix	trans	-65.4	-39.3	-178	-58.7	0	0	0	0	112.1	N191 V213 E214 S215 R221	N191-S217 PolarHBondContact ND2-OG 3.47Å; V213-S217 VanDerWaalsContact O-CB 3.23Å; V213-S217 WeakPolarHBondContact O-CB 3.38Å; V213-S217 PolarHBondContact O-N 3.36Å; V213-S217 PolarHBondContact O-OG 3.14Å; E214-S217 PolarHBondContact O-N 2.87Å; S215-S217 VanDerWaalsContact C-N 3.3Å; S215-S217 PolarHBondContact O-N 3.04Å; S217-R221 VanDerWaalsContact O-CB 3.25Å; S217-R221 WeakPolarHBondContact O-CB 3.39Å; S217-R221 PolarHBondContact O-N 3.19Å
218	D	98.6	Very high	97.8	Very high	30 Å²	30	54.8 Å²	54.8	16%	0.16	28%	0.277	C	S	.	.	H	α-helix	trans	-70.2	-40.1	178.3	-102.5	-26.4	0	0	0	113	E214 S215 F216 R221 R222 R311	E214-D218 PolarHBondContact O-N 2.9Å; S215-D218 PolarHBondContact O-N 3.38Å; F216-D218 PolarHBondContact O-N 3.25Å; D218-R221 IonicContact OD1-CZ 3.89Å; D218-R221 IonicContact OD1-NE 2.7Å; D218-R221 PolarHBondContact OD1-NE 3.49Å; D218-R221 IonicContact OD1-NH2 3.87Å; D218-R221 PolarHBondContact OD1-NH2 3.04Å; D218-R222 PolarHBondContact O-N 3.13Å; D218-R222 PolarHBondContact O-NE 3.47Å; D218-R222 PolarHBondContact O-NH1 3.38Å; D218-R311 IonicContact OD1-NH1 3.28Å; D218-R311 IonicContact OD1-NH2 3.31Å; D218-R311 IonicContact OD2-CZ 3.66Å; D218-R311 IonicContact OD2-NH1 3.33Å; D218-R311 PolarHBondContact OD2-NH1 3.14Å; D218-R311 IonicContact OD2-NH2 2.96Å; D218-R311 PolarHBondContact OD2-NH2 3.48Å
219	C	98.5	Very high	97.9	Very high	50 Å²	50	50.9 Å²	50.9	34%	0.338	26%	0.257	S	S	.	.	H	α-helix	trans	-61	-54.8	172.1	-69.3	0	0	0	0	110.4	S215 F216 R221 R222 D223	S215-C219 PolarHBondContact O-N 2.85Å; S215-C219 PolarHBondContact O-SG 3.09Å; F216-C219 PolarHBondContact O-N 3.4Å; C219-R221 VanDerWaalsContact C-N 3.28Å; C219-R221 PolarHBondContact O-N 2.92Å; C219-R222 PolarHBondContact O-N 3.39Å; C219-R222 PolarHBondContact SG-NH2 2.95Å; C219-R222 VanDerWaalsContact SG-NH2 3.44Å; C219-D223 VanDerWaalsContact O-CG 3.26Å; C219-D223 PolarHBondContact O-N 2.91Å
220	L	98.4	Very high	97.9	Very high	9 Å²	9	55.9 Å²	55.9	5%	0.047	28%	0.279	C	S	.	.	H	α-helix	trans	-55	-44.9	-179	-178.1	67.8	0	0	0	112	T175 I189 F216 R222 D223 I224 V231	T175-L220 HydrophobicContact CG2-CD2 3.46Å; T175-L220 VanDerWaalsContact CG2-CD2 3.46Å; I189-L220 HydrophobicContact CD1-CD2 3.82Å; I189-L220 HydrophobicContact CG2-CD2 4.45Å; F216-L220 HydrophobicContact CE1-CD2 4.19Å; F216-L220 HydrophobicContact CZ-CD2 4.04Å; F216-L220 VanDerWaalsContact O-CB 3.23Å; F216-L220 WeakPolarHBondContact O-CB 3.23Å; F216-L220 PolarHBondContact O-N 2.97Å; L220-R222 VanDerWaalsContact C-N 3.26Å; L220-R222 PolarHBondContact O-N 2.82Å; L220-D223 PolarHBondContact O-N 3.41Å; L220-I224 HydrophobicContact CD1-CD1 4.1Å; L220-I224 HydrophobicContact CD1-CG2 3.83Å; L220-I224 HydrophobicContact CD2-CD1 4.46Å; L220-I224 HydrophobicContact CG-CD1 3.94Å; L220-I224 VanDerWaalsContact O-CG1 3.31Å; L220-I224 WeakPolarHBondContact O-CG1 3.25Å; L220-I224 PolarHBondContact O-N 3.05Å; L220-V231 HydrophobicContact CD2-CG2 4.21Å; L220-V231 HydrophobicContact CG-CG2 4.2Å
221	R	98.4	Very high	98	Very high	81 Å²	81	55.7 Å²	55.7	31%	0.306	28%	0.278	S	S	.	.	H	α-helix	trans	-54.7	-42.1	178.7	-176.6	179.2	55.5	74.7	-1.5	112.4	S217 D218 C219 S225 V231	S217-R221 VanDerWaalsContact O-CB 3.25Å; S217-R221 WeakPolarHBondContact O-CB 3.39Å; S217-R221 PolarHBondContact O-N 3.19Å; D218-R221 IonicContact OD1-CZ 3.89Å; D218-R221 IonicContact OD1-NE 2.7Å; D218-R221 PolarHBondContact OD1-NE 3.49Å; D218-R221 IonicContact OD1-NH2 3.87Å; D218-R221 PolarHBondContact OD1-NH2 3.04Å; C219-R221 VanDerWaalsContact C-N 3.28Å; C219-R221 PolarHBondContact O-N 2.92Å; R221-S225 WeakPolarHBondContact O-CB 3.49Å; R221-S225 PolarHBondContact O-N 3.11Å; R221-V231 HydrophobicContact CB-CB 3.86Å; R221-V231 HydrophobicContact CB-CG2 4.12Å; R221-V231 HydrophobicContact CG-CB 4.21Å
222	R	98.1	Very high	98	Very high	123 Å²	123	51.6 Å²	51.6	46%	0.464	26%	0.261	S	S	.	.	H	α-helix	trans	-71.2	-47.4	179.6	-69.2	-177.8	-69.6	-97.4	0.3	110.1	D218 C219 L220 I224 S225	D218-R222 PolarHBondContact O-N 3.13Å; D218-R222 PolarHBondContact O-NE 3.47Å; D218-R222 PolarHBondContact O-NH1 3.38Å; C219-R222 PolarHBondContact O-N 3.39Å; C219-R222 PolarHBondContact SG-NH2 2.95Å; C219-R222 VanDerWaalsContact SG-NH2 3.44Å; L220-R222 VanDerWaalsContact C-N 3.26Å; L220-R222 PolarHBondContact O-N 2.82Å; R222-I224 VanDerWaalsContact C-N 3.35Å; R222-I224 PolarHBondContact O-N 2.8Å; R222-S225 PolarHBondContact O-N 2.97Å; R222-S225 PolarHBondContact O-OG 2.97Å
223	D	97.3	Very high	98	Very high	114 Å²	114	50.4 Å²	50.4	61%	0.61	25%	0.25	S	S	*	.	H	α-helix	trans	-60.9	-40	-175.3	-62	-13.3	0	0	0	112.8	C219 L220	C219-D223 VanDerWaalsContact O-CG 3.26Å; C219-D223 PolarHBondContact O-N 2.91Å; L220-D223 PolarHBondContact O-N 3.41Å
224	I	96.6	Very high	98	Very high	11 Å²	11	50.2 Å²	50.2	6%	0.056	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	2.1	-174.1	76.5	-178	0	0	0	114.3	L179 I189 L220 R222 Y226 F227 I229 V231	L179-I224 HydrophobicContact CD1-CD1 4.1Å; L179-I224 HydrophobicContact CD2-CG2 4.45Å; I189-I224 HydrophobicContact CD1-CD1 3.74Å; L220-I224 HydrophobicContact CD1-CD1 4.1Å; L220-I224 HydrophobicContact CD1-CG2 3.83Å; L220-I224 HydrophobicContact CD2-CD1 4.46Å; L220-I224 HydrophobicContact CG-CD1 3.94Å; L220-I224 VanDerWaalsContact O-CG1 3.31Å; L220-I224 WeakPolarHBondContact O-CG1 3.25Å; L220-I224 PolarHBondContact O-N 3.05Å; R222-I224 VanDerWaalsContact C-N 3.35Å; R222-I224 PolarHBondContact O-N 2.8Å; I224-Y226 PolarHBondContact O-N 3.28Å; I224-F227 HydrophobicContact CB-CD2 4.14Å; I224-F227 PolarHBondContact O-N 3.45Å; I224-I229 HydrophobicContact CB-CD1 4.4Å; I224-I229 HydrophobicContact CD1-CB 3.77Å; I224-I229 HydrophobicContact CD1-CD1 4.04Å; I224-I229 HydrophobicContact CD1-CG2 3.49Å; I224-I229 VanDerWaalsContact CD1-CG2 3.49Å; I224-I229 HydrophobicContact CG1-CB 4.01Å; I224-I229 HydrophobicContact CG1-CD1 4.45Å; I224-I229 HydrophobicContact CG1-CG2 4.26Å; I224-V231 HydrophobicContact CD1-CG2 3.81Å; I224-V231 HydrophobicContact CG1-CG2 4.33Å
225	S	95.2	Very high	98	Very high	55 Å²	55	49.8 Å²	49.8	39%	0.385	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-55.2	-38.3	-174	57.8	0	0	0	0	113.4	R221 R222 F227 G228	R221-S225 WeakPolarHBondContact O-CB 3.49Å; R221-S225 PolarHBondContact O-N 3.11Å; R222-S225 PolarHBondContact O-N 2.97Å; R222-S225 PolarHBondContact O-OG 2.97Å; S225-F227 PolarHBondContact O-N 3.16Å; S225-G228 PolarHBondContact O-N 2.97Å; S225-G228 VanDerWaalsContact O-N 3.1Å
226	Y	96.3	Very high	97.9	Very high	210 Å²	210	46.5 Å²	46.5	82%	0.824	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-64.6	-18	179.5	-61.7	-73.3	0	0	0	114.1	I224 G228	I224-Y226 PolarHBondContact O-N 3.28Å; Y226-G228 VanDerWaalsContact C-N 3.28Å
227	F	97.3	Very high	97.8	Very high	93 Å²	93	45.1 Å²	45.1	41%	0.408	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-88.1	5.1	176.9	-55.6	-61.4	0	0	0	113.2	K183 I224 S225 I229	K183-F227 HydrophobicContact CD-CD1 4.3Å; K183-F227 HydrophobicContact CD-CD2 4.47Å; K183-F227 HydrophobicContact CD-CG 4.16Å; K183-F227 HydrophobicContact CG-CB 4.29Å; K183-F227 HydrophobicContact CG-CG 4.46Å; I224-F227 HydrophobicContact CB-CD2 4.14Å; I224-F227 PolarHBondContact O-N 3.45Å; S225-F227 PolarHBondContact O-N 3.16Å; F227-I229 HydrophobicContact CB-CD1 4.08Å; F227-I229 HydrophobicContact CB-CG1 4.14Å; F227-I229 PolarHBondContact O-N 3.4Å
228	G	96.4	Very high	97.6	Very high	33 Å²	33	46 Å²	46	34%	0.34	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	7.4	-178.3	0	0	0	0	0	114.2	S225 Y226	S225-G228 PolarHBondContact O-N 2.97Å; S225-G228 VanDerWaalsContact O-N 3.1Å; Y226-G228 VanDerWaalsContact C-N 3.28Å
229	I	98.3	Very high	97.4	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.026	22%	0.217	C	C	.	.			trans	-79.6	137	179.1	-54.6	169.4	0	0	0	109.2	L179 I182 K183 G187 I189 I224 F227	L179-I229 HydrophobicContact CD1-CD1 4.1Å; I182-I229 HydrophobicContact CG2-CD1 4.48Å; I182-I229 HydrophobicContact CG2-CG2 3.85Å; K183-I229 HydrophobicContact CB-CD1 3.84Å; K183-I229 HydrophobicContact CG-CD1 4.23Å; G187-I229 WeakPolarHBondContact O-CA 3.4Å; G187-I229 WeakPolarHBondContact O-CG2 3.35Å; I189-I229 HydrophobicContact CD1-CG2 4.06Å; I189-I229 HydrophobicContact CG1-CG2 4.26Å; I224-I229 HydrophobicContact CB-CD1 4.4Å; I224-I229 HydrophobicContact CD1-CB 3.77Å; I224-I229 HydrophobicContact CD1-CD1 4.04Å; I224-I229 HydrophobicContact CD1-CG2 3.49Å; I224-I229 VanDerWaalsContact CD1-CG2 3.49Å; I224-I229 HydrophobicContact CG1-CB 4.01Å; I224-I229 HydrophobicContact CG1-CD1 4.45Å; I224-I229 HydrophobicContact CG1-CG2 4.26Å; F227-I229 HydrophobicContact CB-CD1 4.08Å; F227-I229 HydrophobicContact CB-CG1 4.14Å; F227-I229 PolarHBondContact O-N 3.4Å
230	K	98.4	Very high	97	Very high	105 Å²	105	47.8 Å²	47.8	46%	0.457	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	135.5	176.1	-56.4	-57.1	-179.7	-173.2	0	110.8	G187 R188 I189 P308	G187-K230 PolarHBondContact O-N 3.23Å; G187-K230 VanDerWaalsContact O-N 3.13Å; R188-K230 CarbonylContact C-O 3.51Å; R188-K230 VanDerWaalsContact CA-O 3.31Å; R188-K230 WeakPolarHBondContact CA-O 3.49Å; R188-K230 HydrophobicContact CG-CB 4.47Å; I189-K230 PolarHBondContact N-O 2.88Å; K230-P308 HydrophobicContact CB-CG 4.01Å; K230-P308 HydrophobicContact CG-CG 3.98Å
231	V	98.8	Very high	96.6	Very high	6 Å²	6	48.6 Å²	48.6	4%	0.036	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.9	175	-173.9	0	0	0	0	108.4	I189 L220 R221 I224	I189-V231 HydrophobicContact CB-CG1 4.41Å; I189-V231 HydrophobicContact CB-CG2 4.28Å; I189-V231 HydrophobicContact CD1-CG2 4.3Å; I189-V231 HydrophobicContact CG2-CG1 4.4Å; I189-V231 CarbonylContact O-C 3.56Å; I189-V231 WeakPolarHBondContact O-CA 3.47Å; L220-V231 HydrophobicContact CD2-CG2 4.21Å; L220-V231 HydrophobicContact CG-CG2 4.2Å; R221-V231 HydrophobicContact CB-CB 3.86Å; R221-V231 HydrophobicContact CB-CG2 4.12Å; R221-V231 HydrophobicContact CG-CB 4.21Å; I224-V231 HydrophobicContact CD1-CG2 3.81Å; I224-V231 HydrophobicContact CG1-CG2 4.33Å
232	C	98.8	Very high	95.9	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.007	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142.2	-177.1	-53.6	0	0	0	0	109.6	I189 V190 N191 A302 R309 Y312	I189-C232 PolarHBondContact O-N 2.97Å; V190-C232 WeakPolarHBondContact CA-O 3.33Å; V190-C232 HydrophobicContact CG2-CB 4.41Å; N191-C232 PolarHBondContact N-O 3.44Å; C232-A302 HydrophobicContact CB-CB 3.91Å; C232-R309 PolarHBondContact SG-O 3.33Å; C232-Y312 HydrophobicContact CB-CE2 4.09Å
233	I	98.8	Very high	95.1	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.5	177.7	-47.8	170.9	0	0	0	108.7	N191 A193 E214 E235 T310 R311 Y312	N191-I233 WeakPolarHBondContact O-CA 3.28Å; A193-I233 HydrophobicContact CB-CG2 3.59Å; E214-I233 WeakPolarHBondContact OE1-CG2 3.37Å; E214-I233 WeakPolarHBondContact OE2-CD1 3.47Å; I233-E235 HydrophobicContact CG2-CG 4.31Å; I233-T310 PolarHBondContact N-O 3.03Å; I233-R311 HydrophobicContact CB-CG 4.27Å; I233-R311 HydrophobicContact CD1-CG 4.37Å; I233-R311 CarbonylContact O-C 3.57Å; I233-R311 WeakPolarHBondContact O-CA 3.42Å; I233-Y312 PolarHBondContact O-N 3.31Å
234	I	98.8	Very high	94.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	126.9	172	-45.7	-58.2	0	0	0	107.4	V190 N191 A193 P236 V295 C298 M299 A302 Y312	V190-I234 HydrophobicContact CG1-CD1 3.87Å; V190-I234 HydrophobicContact CG1-CG1 3.6Å; N191-I234 PolarHBondContact O-N 3.49Å; A193-I234 CarbonylContact C-O 3.54Å; A193-I234 WeakPolarHBondContact CA-O 3.31Å; A193-I234 WeakPolarHBondContact CB-O 3.45Å; A193-I234 PolarHBondContact N-O 2.92Å; I234-P236 VanDerWaalsContact C-CD 3.43Å; I234-P236 HydrophobicContact CG2-CG 4.09Å; I234-P236 VanDerWaalsContact O-CD 3.24Å; I234-P236 WeakPolarHBondContact O-CD 3.5Å; I234-V295 HydrophobicContact CG2-CG1 4.02Å; I234-C298 HydrophobicContact CD1-CB 4.22Å; I234-C298 HydrophobicContact CG2-CB 4.33Å; I234-M299 HydrophobicContact CD1-CG 4.39Å; I234-M299 HydrophobicContact CG1-CG 3.91Å; I234-A302 HydrophobicContact CD1-CB 4.32Å; I234-Y312 HydrophobicContact CD1-CD2 3.66Å; I234-Y312 HydrophobicContact CD1-CE2 4.49Å; I234-Y312 HydrophobicContact CD1-CG 3.89Å
235	E	98.1	Very high	94.1	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.009	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	76.5	-179.3	-63.6	170.2	140.9	0	0	109.3	R198 E214 I233 R311 Y312 S313 A314	R198-E235 VanDerWaalsContact CD-OE1 3.25Å; R198-E235 WeakPolarHBondContact CD-OE1 3.34Å; R198-E235 WeakPolarHBondContact CG-OE1 3.33Å; R198-E235 IonicContact CZ-OE1 2.65Å; R198-E235 IonicContact NE-OE1 2.67Å; R198-E235 IonicContact NH1-OE1 3.27Å; R198-E235 PolarHBondContact NH1-OE1 3.26Å; R198-E235 IonicContact NH1-OE2 3.33Å; E214-E235 WeakPolarHBondContact OE1-CG 3.48Å; I233-E235 HydrophobicContact CG2-CG 4.31Å; E235-R311 IonicContact OE1-NE 3.07Å; E235-Y312 PolarHBondContact N-O 3.39Å; E235-S313 PolarHBondContact OE2-OG 2.94Å; E235-A314 PolarHBondContact O-N 3.48Å
236	P	97.7	Very high	93.8	Very high	7 Å²	7	41.5 Å²	41.5	5%	0.045	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	142	175.4	-18.4	31.7	0	0	0	111.5	V192 V195 I234 F239 V295	V192-P236 HydrophobicContact CG1-CG 4.21Å; V195-P236 WeakPolarHBondContact CG1-O 3.27Å; V195-P236 PolarHBondContact N-O 3.23Å; I234-P236 VanDerWaalsContact C-CD 3.43Å; I234-P236 HydrophobicContact CG2-CG 4.09Å; I234-P236 VanDerWaalsContact O-CD 3.24Å; I234-P236 WeakPolarHBondContact O-CD 3.5Å; P236-F239 HydrophobicContact CB-CD2 4.06Å; P236-F239 HydrophobicContact CB-CE2 4.07Å; P236-V295 HydrophobicContact CB-CG1 4.4Å; P236-V295 HydrophobicContact CB-CG2 3.99Å; P236-V295 HydrophobicContact CG-CG1 3.79Å; P236-V295 HydrophobicContact CG-CG2 4.29Å
237	G	95.9	Very high	93.6	Very high	10 Å²	10	36 Å²	36	10%	0.103	20%	0.2	C	C	.	.			trans	-69.9	-151.7	156.9	0	0	0	0	0	112.3	F239 A314 D317	G237-F239 WeakPolarHBondContact O-CD2 3.44Å; G237-A314 PolarHBondContact N-O 3.2Å; G237-D317 WeakPolarHBondContact CA-OD2 3.41Å
238	F	94.1	Very high	93.3	Very high	18 Å²	18	33.3 Å²	33.3	8%	0.079	19%	0.192	C	C	.	.			trans	-87	126.6	178.9	-68.7	-93.8	0	0	0	111.6	L196 M284 V287 C288 D289 D317 W322	L196-F238 HydrophobicContact CD1-CZ 4.24Å; F238-M284 HydrophobicContact CD1-CE 4.06Å; F238-M284 HydrophobicContact CD1-SD 3.94Å; F238-M284 HydrophobicContact CE1-CE 3.74Å; F238-M284 HydrophobicContact CE1-SD 4.26Å; F238-V287 HydrophobicContact CB-CB 4.46Å; F238-V287 HydrophobicContact CB-CG1 4.02Å; F238-V287 HydrophobicContact CD2-CG1 4.03Å; F238-V287 HydrophobicContact CG-CG1 4.31Å; F238-C288 WeakPolarHBondContact O-CA 3.37Å; F238-D289 PolarHBondContact O-N 2.81Å; F238-D317 WeakPolarHBondContact CD2-OD2 3.29Å; F238-D317 PolarHBondContact N-OD2 3.18Å; F238-W322 HydrophobicContact CD2-CZ2 4.47Å; F238-W322 AromaticContact CD2-NE1 3.64Å; F238-W322 AromaticContact CE2-CE2 3.58Å; F238-W322 AromaticContact CE2-CZ2 3.61Å; F238-W322 HydrophobicContact CE2-CZ2 3.61Å; F238-W322 AromaticContact CE2-NE1 3.43Å; F238-W322 HydrophobicContact CZ-CZ2 4.29Å
239	F	95	Very high	93.1	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.018	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-139	143.9	-178.4	-74.3	-91.9	0	0	0	110.8	F71 P236 G237 T241 T244 D289 D291 L292 K294 V295 A314	F71-F239 HydrophobicContact CE1-CB 4.09Å; F71-F239 HydrophobicContact CE1-CG 4.19Å; F71-F239 HydrophobicContact CZ-CB 3.66Å; F71-F239 HydrophobicContact CZ-CD2 4.11Å; F71-F239 AromaticContact CZ-CG 3.9Å; F71-F239 HydrophobicContact CZ-CG 3.9Å; P236-F239 HydrophobicContact CB-CD2 4.06Å; P236-F239 HydrophobicContact CB-CE2 4.07Å; G237-F239 WeakPolarHBondContact O-CD2 3.44Å; F239-T241 HydrophobicContact CB-CG2 4.46Å; F239-T241 PolarHBondContact O-N 3.13Å; F239-T244 WeakPolarHBondContact O-CG2 3.42Å; F239-T244 PolarHBondContact O-OG1 3.37Å; F239-D289 CarbonylContact C-O 3.59Å; F239-D289 VanDerWaalsContact CA-O 3.31Å; F239-D289 WeakPolarHBondContact CA-O 3.27Å; F239-D289 HydrophobicContact CD1-CB 3.74Å; F239-D289 HydrophobicContact CE1-CB 3.73Å; F239-D289 HydrophobicContact CG-CB 4.46Å; F239-D289 HydrophobicContact CZ-CB 4.44Å; F239-D291 WeakPolarHBondContact CE1-O 3.23Å; F239-L292 HydrophobicContact CB-CD2 3.82Å; F239-L292 HydrophobicContact CD1-CD2 4.09Å; F239-L292 HydrophobicContact CG-CD2 4.38Å; F239-K294 HydrophobicContact CE1-CB 4.01Å; F239-K294 HydrophobicContact CE1-CD 4.18Å; F239-K294 HydrophobicContact CZ-CB 4.08Å; F239-V295 HydrophobicContact CD1-CG2 4.11Å; F239-V295 HydrophobicContact CD2-CG2 3.7Å; F239-V295 HydrophobicContact CE1-CG2 3.86Å; F239-V295 HydrophobicContact CE2-CG2 3.43Å; F239-V295 VanDerWaalsContact CE2-CG2 3.43Å; F239-V295 HydrophobicContact CG-CG2 4.05Å; F239-V295 HydrophobicContact CZ-CG2 3.52Å; F239-A314 WeakPolarHBondContact CE2-O 3.38Å; F239-A314 HydrophobicContact CZ-CB 4.48Å
240	K	90.3	Very high	92.9	Very high	115 Å²	115	32.8 Å²	32.8	50%	0.5	18%	0.181	S	C	.	.	S	Bend	trans	-68.4	93.9	-179.1	-62.8	-172.9	-176.8	178	0	111.5	C288 D289	K240-C288 VanDerWaalsContact CE-O 3.28Å; K240-C288 WeakPolarHBondContact CE-O 3.41Å; K240-C288 HydrophobicContact CG-CB 3.64Å; K240-D289 PolarHBondContact N-O 3.07Å
241	T	89.8	Confident	92.8	Very high	25 Å²	25	35.2 Å²	35.2	15%	0.153	19%	0.187	C	C	.	.	S	Bend	trans	-134.3	177.3	177.2	63.7	0	0	0	0	110.4	F71 F239 V243 T244 N245 L292	F71-T241 HydrophobicContact CD1-CG2 4.45Å; F71-T241 HydrophobicContact CE1-CG2 4.01Å; F71-T241 HydrophobicContact CE2-CG2 4.13Å; F71-T241 HydrophobicContact CZ-CG2 3.84Å; F239-T241 HydrophobicContact CB-CG2 4.46Å; F239-T241 PolarHBondContact O-N 3.13Å; T241-V243 PolarHBondContact O-N 3.01Å; T241-V243 VanDerWaalsContact O-N 3.15Å; T241-V243 PolarHBondContact OG1-N 3.38Å; T241-T244 PolarHBondContact N-OG1 3.19Å; T241-T244 VanDerWaalsContact N-OG1 3.13Å; T241-T244 PolarHBondContact O-N 2.98Å; T241-T244 VanDerWaalsContact O-N 3.12Å; T241-T244 PolarHBondContact O-OG1 3Å; T241-N245 PolarHBondContact O-N 2.8Å; T241-L292 HydrophobicContact CG2-CD1 4.24Å; T241-L292 HydrophobicContact CG2-CD2 3.87Å
242	A	83.2	Confident	92.5	Very high	67 Å²	67	36.3 Å²	36.3	55%	0.554	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-56.7	-28.6	173.4	0	0	0	0	0	112.9	T244 N245	A242-T244 VanDerWaalsContact C-N 3.33Å; A242-T244 PolarHBondContact O-N 3.38Å; A242-N245 PolarHBondContact O-N 3.49Å
243	V	82.4	Confident	92.4	Very high	43 Å²	43	36.3 Å²	36.3	26%	0.261	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-70.3	-28.7	-179.7	180	0	0	0	0	112.2	S146 Y206 T241	S146-V243 VanDerWaalsContact CB-CG1 3.44Å; S146-V243 WeakPolarHBondContact OG-CG1 3.39Å; S146-V243 PolarHBondContact OG-O 3.41Å; Y206-V243 HydrophobicContact CE2-CG1 4.42Å; T241-V243 PolarHBondContact O-N 3.01Å; T241-V243 VanDerWaalsContact O-N 3.15Å; T241-V243 PolarHBondContact OG1-N 3.38Å
244	T	86	Confident	92.2	Very high	25 Å²	25	39.9 Å²	39.9	15%	0.153	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-108.5	11.8	-179.4	64.2	0	0	0	0	112.4	F239 T241 A242 L246	F239-T244 WeakPolarHBondContact O-CG2 3.42Å; F239-T244 PolarHBondContact O-OG1 3.37Å; T241-T244 PolarHBondContact N-OG1 3.19Å; T241-T244 VanDerWaalsContact N-OG1 3.13Å; T241-T244 PolarHBondContact O-N 2.98Å; T241-T244 VanDerWaalsContact O-N 3.12Å; T241-T244 PolarHBondContact O-OG1 3Å; A242-T244 VanDerWaalsContact C-N 3.33Å; A242-T244 PolarHBondContact O-N 3.38Å; T244-L246 PolarHBondContact O-N 3.04Å
245	N	87.6	Confident	92.1	Very high	71 Å²	71	44.4 Å²	44.4	38%	0.38	23%	0.225	S	C	.	.			trans	-66.9	127.5	178.5	-173.7	-20.3	0	0	0	109.4	T241 A242 D247 P248 I249	T241-N245 PolarHBondContact O-N 2.8Å; A242-N245 PolarHBondContact O-N 3.49Å; N245-D247 PolarHBondContact OD1-N 3.46Å; N245-D247 VanDerWaalsContact OD1-N 3.12Å; N245-P248 HydrophobicContact CB-CG 4.19Å; N245-P248 VanDerWaalsContact CG-CD 3.46Å; N245-P248 WeakPolarHBondContact O-CD 3.11Å; N245-P248 WeakPolarHBondContact OD1-CD 3.33Å; N245-I249 WeakPolarHBondContact O-CD1 3.4Å; N245-I249 WeakPolarHBondContact O-CG1 3.45Å
246	L	88.1	Confident	91.9	Very high	29 Å²	29	44.3 Å²	44.3	15%	0.152	22%	0.224	C	C	.	.	H	α-helix	trans	-67.8	-39.1	-175.8	-72.3	168.9	0	0	0	112.5	T244 I249 E250 R281 M284	T244-L246 PolarHBondContact O-N 3.04Å; L246-I249 WeakPolarHBondContact O-CB 3.35Å; L246-I249 PolarHBondContact O-N 3.34Å; L246-E250 WeakPolarHBondContact O-CG 3.48Å; L246-E250 PolarHBondContact O-N 2.97Å; L246-R281 HydrophobicContact CD1-CG 4.2Å; L246-R281 HydrophobicContact CD2-CG 4.2Å; L246-M284 HydrophobicContact CD2-CB 3.89Å; L246-M284 HydrophobicContact CD2-CG 3.93Å; L246-M284 HydrophobicContact CG-CB 4.42Å
247	D	91.6	Very high	91.9	Very high	94 Å²	94	45 Å²	45	50%	0.503	23%	0.226	S	C	.	.	H	α-helix	trans	-63.9	-46.7	-173.3	-45.9	-37.1	0	0	0	112.9	N245 I249 R251	N245-D247 PolarHBondContact OD1-N 3.46Å; N245-D247 VanDerWaalsContact OD1-N 3.12Å; D247-I249 VanDerWaalsContact C-N 3.33Å; D247-R251 WeakPolarHBondContact O-CG 3.46Å; D247-R251 PolarHBondContact O-N 3.2Å; D247-R251 VanDerWaalsContact O-N 3.14Å; D247-R251 PolarHBondContact O-NH1 3.24Å
248	P	92.5	Very high	91.8	Very high	37 Å²	37	49.6 Å²	49.6	24%	0.24	25%	0.249	C	C	.	.	H	α-helix	trans	-63.7	-37.7	174.4	-21.2	33.6	0	0	0	113.1	L147 N245 E252	L147-P248 HydrophobicContact CD1-CB 3.78Å; N245-P248 HydrophobicContact CB-CG 4.19Å; N245-P248 VanDerWaalsContact CG-CD 3.46Å; N245-P248 WeakPolarHBondContact O-CD 3.11Å; N245-P248 WeakPolarHBondContact OD1-CD 3.33Å; P248-E252 WeakPolarHBondContact O-CB 3.26Å; P248-E252 PolarHBondContact O-N 2.67Å
249	I	91.8	Very high	91.8	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-61.7	-48.2	178.8	-74	170.9	0	0	0	110.3	L147 N245 L246 D247 E252 L253	L147-I249 HydrophobicContact CD1-CG1 4.46Å; L147-I249 HydrophobicContact CD2-CG1 3.99Å; N245-I249 WeakPolarHBondContact O-CD1 3.4Å; N245-I249 WeakPolarHBondContact O-CG1 3.45Å; L246-I249 WeakPolarHBondContact O-CB 3.35Å; L246-I249 PolarHBondContact O-N 3.34Å; D247-I249 VanDerWaalsContact C-N 3.33Å; I249-E252 PolarHBondContact O-N 3.14Å; I249-L253 HydrophobicContact CG2-CD1 4.15Å; I249-L253 WeakPolarHBondContact O-CG 3.49Å; I249-L253 PolarHBondContact O-N 3.47Å
250	E	94.3	Very high	91.9	Very high	24 Å²	24	52.4 Å²	52.4	11%	0.112	26%	0.262	C	S	.	.	H	α-helix	trans	-66.4	-43.3	-178.2	-71.8	173.2	-160.7	0	0	112.2	L246 E252 L253 H254 I277 R281	L246-E250 WeakPolarHBondContact O-CG 3.48Å; L246-E250 PolarHBondContact O-N 2.97Å; E250-E252 PolarHBondContact O-N 3.48Å; E250-L253 PolarHBondContact O-N 2.87Å; E250-H254 PolarHBondContact O-CD2 3.37Å; E250-H254 PolarHBondContact O-N 3.2Å; E250-I277 HydrophobicContact CG-CG1 4.49Å; E250-I277 HydrophobicContact CG-CG2 3.82Å; E250-R281 VanDerWaalsContact CD-NH2 3.29Å; E250-R281 WeakPolarHBondContact OE1-CG 3.35Å; E250-R281 IonicContact OE1-CZ 2.71Å; E250-R281 IonicContact OE1-NE 2.71Å; E250-R281 PolarHBondContact OE1-NE 2.6Å; E250-R281 IonicContact OE1-NH2 2.93Å; E250-R281 PolarHBondContact OE1-NH2 3.36Å; E250-R281 IonicContact OE2-CZ 3.47Å; E250-R281 IonicContact OE2-NE 3.67Å; E250-R281 IonicContact OE2-NH2 3.85Å; E250-R281 PolarHBondContact OE2-NH2 3.36Å
251	R	94.9	Very high	92.1	Very high	155 Å²	155	49.4 Å²	49.4	59%	0.585	26%	0.256	S	S	*	.	H	α-helix	trans	-57.1	-41.1	173.4	-73.7	-168	-58	-88.2	4.8	111.4	D247 H254 R255	D247-R251 WeakPolarHBondContact O-CG 3.46Å; D247-R251 PolarHBondContact O-N 3.2Å; D247-R251 VanDerWaalsContact O-N 3.14Å; D247-R251 PolarHBondContact O-NH1 3.24Å; R251-H254 PolarHBondContact O-N 2.96Å; R251-R255 WeakPolarHBondContact O-CB 3.34Å; R251-R255 PolarHBondContact O-N 2.7Å
252	E	94.1	Very high	92.4	Very high	30 Å²	30	53.6 Å²	53.6	14%	0.14	28%	0.284	C	S	.	.	H	α-helix	trans	-68.1	-41.6	178.2	-174.1	61.2	-173.6	0	0	112.1	L147 P148 P248 I249 E250 H254 R255 L256	L147-E252 HydrophobicContact CD1-CB 4.24Å; L147-E252 HydrophobicContact CD2-CB 4.15Å; L147-E252 HydrophobicContact CD2-CG 4.13Å; P148-E252 HydrophobicContact CB-CG 4.39Å; P148-E252 VanDerWaalsContact CB-OE1 3.26Å; P148-E252 WeakPolarHBondContact CB-OE1 3.26Å; P248-E252 WeakPolarHBondContact O-CB 3.26Å; P248-E252 PolarHBondContact O-N 2.67Å; I249-E252 PolarHBondContact O-N 3.14Å; E250-E252 PolarHBondContact O-N 3.48Å; E252-H254 PolarHBondContact O-N 3.36Å; E252-R255 VanDerWaalsContact CD-NE 3.29Å; E252-R255 WeakPolarHBondContact O-CB 3.36Å; E252-R255 PolarHBondContact O-N 3.47Å; E252-R255 VanDerWaalsContact O-N 3.16Å; E252-R255 IonicContact OE1-CZ 3.44Å; E252-R255 VanDerWaalsContact OE1-CZ 3.27Å; E252-R255 IonicContact OE1-NE 2.93Å; E252-R255 PolarHBondContact OE1-NE 3.39Å; E252-R255 IonicContact OE1-NH2 4Å; E252-R255 PolarHBondContact OE1-NH2 2.82Å; E252-R255 IonicContact OE2-CZ 3.88Å; E252-R255 IonicContact OE2-NE 2.61Å; E252-R255 PolarHBondContact OE2-NE 3.1Å; E252-R255 IonicContact OE2-NH2 3.09Å; E252-L256 HydrophobicContact CG-CD1 4.42Å; E252-L256 HydrophobicContact CG-CG 4.47Å; E252-L256 WeakPolarHBondContact O-CB 3.33Å; E252-L256 VanDerWaalsContact O-CG 3.31Å; E252-L256 WeakPolarHBondContact O-CG 3.36Å; E252-L256 PolarHBondContact O-N 2.86Å
253	L	94.8	Very high	93	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-61.9	-41.3	174.4	-71.2	171.4	0	0	0	112.4	W154 I249 E250 R255 L256 W257 L273 Y276 I277 Q280	W154-L253 HydrophobicContact CZ3-CD2 4.38Å; I249-L253 HydrophobicContact CG2-CD1 4.15Å; I249-L253 WeakPolarHBondContact O-CG 3.49Å; I249-L253 PolarHBondContact O-N 3.47Å; E250-L253 PolarHBondContact O-N 2.87Å; L253-R255 VanDerWaalsContact C-N 3.35Å; L253-L256 PolarHBondContact O-N 3.42Å; L253-W257 WeakPolarHBondContact O-CB 3.39Å; L253-W257 PolarHBondContact O-N 3.21Å; L253-L273 HydrophobicContact CB-CD1 4.02Å; L253-Y276 HydrophobicContact CD1-CD1 3.87Å; L253-Y276 HydrophobicContact CD1-CE1 3.93Å; L253-Y276 HydrophobicContact CD2-CD1 4.29Å; L253-Y276 HydrophobicContact CD2-CE1 3.94Å; L253-I277 HydrophobicContact CD1-CG1 3.88Å; L253-Q280 VanDerWaalsContact CD1-OE1 3.31Å
254	H	96.1	Very high	93.6	Very high	76 Å²	76	56.8 Å²	56.8	35%	0.352	29%	0.286	S	S	.	.	H	α-helix	trans	-62.4	-41.8	172.7	-78.7	-67.1	0	0	0	111.8	E250 R251 E252 W257 N258 L273	E250-H254 PolarHBondContact O-CD2 3.37Å; E250-H254 PolarHBondContact O-N 3.2Å; R251-H254 PolarHBondContact O-N 2.96Å; E252-H254 PolarHBondContact O-N 3.36Å; H254-W257 PolarHBondContact O-N 2.89Å; H254-N258 VanDerWaalsContact O-CB 3.32Å; H254-N258 WeakPolarHBondContact O-CB 3.31Å; H254-N258 PolarHBondContact O-N 2.93Å; H254-N258 PolarHBondContact O-ND2 3.48Å; H254-L273 WeakPolarHBondContact ND1-CD2 3.2Å
255	R	95.6	Very high	94	Very high	95 Å²	95	57.9 Å²	57.9	36%	0.358	29%	0.288	S	S	.	.	H	α-helix	trans	-59.6	-48.6	174.9	-170.5	-164.5	71	76.1	-7.9	111.2	D159 R251 E252 L253 N258 Q259	D159-R255 IonicContact OD1-NH2 3.68Å; D159-R255 PolarHBondContact OD1-NH2 3.28Å; R251-R255 WeakPolarHBondContact O-CB 3.34Å; R251-R255 PolarHBondContact O-N 2.7Å; E252-R255 VanDerWaalsContact CD-NE 3.29Å; E252-R255 WeakPolarHBondContact O-CB 3.36Å; E252-R255 PolarHBondContact O-N 3.47Å; E252-R255 VanDerWaalsContact O-N 3.16Å; E252-R255 IonicContact OE1-CZ 3.44Å; E252-R255 VanDerWaalsContact OE1-CZ 3.27Å; E252-R255 IonicContact OE1-NE 2.93Å; E252-R255 PolarHBondContact OE1-NE 3.39Å; E252-R255 IonicContact OE1-NH2 4Å; E252-R255 PolarHBondContact OE1-NH2 2.82Å; E252-R255 IonicContact OE2-CZ 3.88Å; E252-R255 IonicContact OE2-NE 2.61Å; E252-R255 PolarHBondContact OE2-NE 3.1Å; E252-R255 IonicContact OE2-NH2 3.09Å; L253-R255 VanDerWaalsContact C-N 3.35Å; R255-N258 PolarHBondContact O-N 3.48Å; R255-Q259 VanDerWaalsContact NH1-OE1 3.14Å; R255-Q259 PolarHBondContact O-N 3.48Å
256	L	95.2	Very high	94.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.8	-41.4	178.8	-69.9	178.5	0	0	0	111.8	M149 W154 M155 E252 L253 Q259 L260	M149-L256 WeakPolarHBondContact O-CD1 3.44Å; W154-L256 HydrophobicContact CB-CB 4.25Å; W154-L256 HydrophobicContact CE3-CB 4.18Å; M155-L256 HydrophobicContact CG-CD1 4.23Å; M155-L256 HydrophobicContact CG-CD2 4.45Å; E252-L256 HydrophobicContact CG-CD1 4.42Å; E252-L256 HydrophobicContact CG-CG 4.47Å; E252-L256 WeakPolarHBondContact O-CB 3.33Å; E252-L256 VanDerWaalsContact O-CG 3.31Å; E252-L256 WeakPolarHBondContact O-CG 3.36Å; E252-L256 PolarHBondContact O-N 2.86Å; L253-L256 PolarHBondContact O-N 3.42Å; L256-Q259 VanDerWaalsContact CD2-NE2 3.27Å; L256-Q259 WeakPolarHBondContact O-CG 3.2Å; L256-L260 WeakPolarHBondContact O-CG 3.31Å
257	W	95.9	Very high	94.7	Very high	21 Å²	21	56.8 Å²	56.8	8%	0.08	29%	0.292	C	S	.	.	H	α-helix	trans	-64.4	-45.9	175.2	-179.5	-100.8	0	0	0	111.8	W154 L253 H254 Q259 L260 K265 Y268 L273	W154-W257 AromaticContact CE2-CE3 3.97Å; W154-W257 AromaticContact CH2-CE3 3.45Å; W154-W257 HydrophobicContact CH2-CE3 3.45Å; W154-W257 VanDerWaalsContact CH2-CE3 3.45Å; W154-W257 AromaticContact CH2-CZ3 3.89Å; W154-W257 HydrophobicContact CH2-CZ3 3.89Å; W154-W257 AromaticContact CZ2-CE3 3.41Å; W154-W257 HydrophobicContact CZ2-CE3 3.41Å; W154-W257 VanDerWaalsContact CZ2-CE3 3.41Å; W154-W257 AromaticContact CZ2-CZ3 3.49Å; W154-W257 HydrophobicContact CZ2-CZ3 3.49Å; W154-W257 VanDerWaalsContact CZ2-CZ3 3.49Å; W154-W257 HydrophobicContact CZ3-CB 4.39Å; W154-W257 HydrophobicContact CZ3-CE3 4.04Å; L253-W257 WeakPolarHBondContact O-CB 3.39Å; L253-W257 PolarHBondContact O-N 3.21Å; H254-W257 PolarHBondContact O-N 2.89Å; W257-Q259 VanDerWaalsContact C-N 3.27Å; W257-Q259 PolarHBondContact O-N 3.36Å; W257-L260 HydrophobicContact CD2-CD1 4.27Å; W257-L260 HydrophobicContact CE3-CD1 3.71Å; W257-L260 HydrophobicContact CZ3-CD1 4.21Å; W257-L260 VanDerWaalsContact O-CB 3.3Å; W257-L260 WeakPolarHBondContact O-CB 3.33Å; W257-L260 WeakPolarHBondContact O-CG 3.44Å; W257-L260 PolarHBondContact O-N 2.97Å; W257-K265 HydrophobicContact CD2-CG 4.48Å; W257-K265 HydrophobicContact CH2-CB 4.36Å; W257-K265 HydrophobicContact CH2-CG 4.43Å; W257-K265 HydrophobicContact CZ2-CB 4.13Å; W257-K265 HydrophobicContact CZ2-CG 4.06Å; W257-K265 WeakPolarHBondContact O-CE 3.43Å; W257-Y268 HydrophobicContact CZ3-CG 4.4Å; W257-L273 HydrophobicContact CB-CD1 4.24Å; W257-L273 HydrophobicContact CB-CD2 3.71Å; W257-L273 HydrophobicContact CB-CG 4.48Å; W257-L273 HydrophobicContact CD2-CB 4.03Å; W257-L273 HydrophobicContact CD2-CD2 4.17Å; W257-L273 HydrophobicContact CE3-CB 4.14Å; W257-L273 HydrophobicContact CG-CB 4.38Å; W257-L273 HydrophobicContact CG-CD2 3.63Å; W257-L273 HydrophobicContact CG-CG 4.43Å
258	N	95.1	Very high	94.9	Very high	108 Å²	108	53.6 Å²	53.6	58%	0.578	27%	0.273	S	S	*	.	H	α-helix	trans	-64.1	-31.5	-174.2	-74.1	-20.7	0	0	0	113.1	H254 R255 L260 K265	H254-N258 VanDerWaalsContact O-CB 3.32Å; H254-N258 WeakPolarHBondContact O-CB 3.31Å; H254-N258 PolarHBondContact O-N 2.93Å; H254-N258 PolarHBondContact O-ND2 3.48Å; R255-N258 PolarHBondContact O-N 3.48Å; N258-L260 VanDerWaalsContact C-N 3.31Å; N258-L260 PolarHBondContact O-N 2.94Å; N258-K265 PolarHBondContact O-NZ 3.44Å
259	Q	94.3	Very high	95	Very high	61 Å²	61	52.6 Å²	52.6	29%	0.285	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-9.6	176.4	64.4	175.4	13.2	0	0	114.7	W154 R255 L256 W257	W154-Q259 PolarHBondContact O-NE2 2.71Å; R255-Q259 VanDerWaalsContact NH1-OE1 3.14Å; R255-Q259 PolarHBondContact O-N 3.48Å; L256-Q259 VanDerWaalsContact CD2-NE2 3.27Å; L256-Q259 WeakPolarHBondContact O-CG 3.2Å; W257-Q259 VanDerWaalsContact C-N 3.27Å; W257-Q259 PolarHBondContact O-N 3.36Å
260	L	95.5	Very high	94.9	Very high	19 Å²	19	59.6 Å²	59.6	10%	0.099	30%	0.301	C	S	.	.	S	Bend	trans	-67.8	148.1	179.6	-67.6	173.8	0	0	0	112	W154 L256 W257 N258 V264 K265	W154-L260 HydrophobicContact CB-CD2 4.09Å; W154-L260 HydrophobicContact CD2-CD1 3.96Å; W154-L260 HydrophobicContact CG-CD1 3.86Å; W154-L260 HydrophobicContact CG-CD2 4.09Å; W154-L260 HydrophobicContact CG-CG 4.4Å; L256-L260 WeakPolarHBondContact O-CG 3.31Å; W257-L260 HydrophobicContact CD2-CD1 4.27Å; W257-L260 HydrophobicContact CE3-CD1 3.71Å; W257-L260 HydrophobicContact CZ3-CD1 4.21Å; W257-L260 VanDerWaalsContact O-CB 3.3Å; W257-L260 WeakPolarHBondContact O-CB 3.33Å; W257-L260 WeakPolarHBondContact O-CG 3.44Å; W257-L260 PolarHBondContact O-N 2.97Å; N258-L260 VanDerWaalsContact C-N 3.31Å; N258-L260 PolarHBondContact O-N 2.94Å; L260-V264 HydrophobicContact CB-CB 4.44Å; L260-V264 HydrophobicContact CD1-CG1 4.07Å; L260-V264 HydrophobicContact CD2-CB 4.38Å; L260-V264 HydrophobicContact CD2-CG1 3.82Å; L260-V264 HydrophobicContact CG-CG1 4.35Å; L260-K265 HydrophobicContact CB-CD 4.45Å; L260-K265 HydrophobicContact CB-CG 3.8Å; L260-K265 HydrophobicContact CD1-CG 4.33Å; L260-K265 WeakPolarHBondContact O-CE 3.38Å
261	S	96.1	Very high	94.9	Very high	53 Å²	53	66.1 Å²	66.1	37%	0.371	33%	0.33	S	S	.	.			trans	-64.4	154.8	169.9	73.5	0	0	0	0	110.9	E263 V264 K265	S261-E263 PolarHBondContact O-N 3.43Å; S261-V264 PolarHBondContact O-N 2.92Å; S261-V264 WeakPolarHBondContact OG-CG2 3.24Å; S261-V264 PolarHBondContact OG-N 3.4Å; S261-K265 PolarHBondContact O-N 3.17Å
262	P	95.8	Very high	94.9	Very high	112 Å²	112	59.7 Å²	59.7	73%	0.727	31%	0.305	S	S	*	.	H	α-helix	trans	-56.5	-34.9	175.4	-25.8	35.1	0	0	0	113.1	K265 A266	P262-K265 PolarHBondContact O-N 3.03Å; P262-A266 WeakPolarHBondContact O-CB 3.35Å; P262-A266 PolarHBondContact O-N 3.46Å
263	E	94.8	Very high	94.9	Very high	154 Å²	154	58.7 Å²	58.7	72%	0.72	30%	0.301	S	S	*	.	H	α-helix	trans	-62.6	-47.2	178	-177.6	178.6	-171.8	0	0	112.1	S261 A266 S267	S261-E263 PolarHBondContact O-N 3.43Å; E263-A266 PolarHBondContact O-N 3.49Å; E263-S267 PolarHBondContact O-N 3.27Å; E263-S267 VanDerWaalsContact O-N 3.1Å
264	V	94.9	Very high	95	Very high	23 Å²	23	63.3 Å²	63.3	14%	0.139	33%	0.326	C	S	.	.	H	α-helix	trans	-67.4	-43.3	178	178.6	0	0	0	0	110.2	E153 L260 S261 A266 S267 Y268	E153-V264 HydrophobicContact CG-CG1 4.21Å; L260-V264 HydrophobicContact CB-CB 4.44Å; L260-V264 HydrophobicContact CD1-CG1 4.07Å; L260-V264 HydrophobicContact CD2-CB 4.38Å; L260-V264 HydrophobicContact CD2-CG1 3.82Å; L260-V264 HydrophobicContact CG-CG1 4.35Å; S261-V264 PolarHBondContact O-N 2.92Å; S261-V264 WeakPolarHBondContact OG-CG2 3.24Å; S261-V264 PolarHBondContact OG-N 3.4Å; V264-A266 VanDerWaalsContact C-N 3.25Å; V264-A266 PolarHBondContact O-N 2.86Å; V264-S267 PolarHBondContact O-N 2.9Å; V264-S267 VanDerWaalsContact O-N 3.09Å; V264-S267 PolarHBondContact O-OG 3.5Å; V264-Y268 HydrophobicContact CG1-CD2 3.93Å; V264-Y268 HydrophobicContact CG1-CE2 3.84Å; V264-Y268 WeakPolarHBondContact O-CD2 3.24Å; V264-Y268 PolarHBondContact O-N 3.12Å
265	K	95.3	Very high	94.9	Very high	48 Å²	48	63.3 Å²	63.3	21%	0.209	33%	0.328	C	S	.	.	H	α-helix	trans	-56.7	-41.9	175.1	-70.3	178	-179.1	169.9	0	111.8	W257 N258 L260 S261 P262 S267 Y268 G269	W257-K265 HydrophobicContact CD2-CG 4.48Å; W257-K265 HydrophobicContact CH2-CB 4.36Å; W257-K265 HydrophobicContact CH2-CG 4.43Å; W257-K265 HydrophobicContact CZ2-CB 4.13Å; W257-K265 HydrophobicContact CZ2-CG 4.06Å; W257-K265 WeakPolarHBondContact O-CE 3.43Å; N258-K265 PolarHBondContact O-NZ 3.44Å; L260-K265 HydrophobicContact CB-CD 4.45Å; L260-K265 HydrophobicContact CB-CG 3.8Å; L260-K265 HydrophobicContact CD1-CG 4.33Å; L260-K265 WeakPolarHBondContact O-CE 3.38Å; S261-K265 PolarHBondContact O-N 3.17Å; P262-K265 PolarHBondContact O-N 3.03Å; K265-S267 VanDerWaalsContact C-N 3.34Å; K265-S267 PolarHBondContact O-N 3.38Å; K265-Y268 PolarHBondContact O-N 2.67Å; K265-G269 PolarHBondContact O-N 3.15Å
266	A	94.6	Very high	94.8	Very high	47 Å²	47	60.1 Å²	60.1	39%	0.388	32%	0.316	S	S	.	.	H	α-helix	trans	-67.4	-29.4	178.4	0	0	0	0	0	113.6	P262 E263 V264 S345	P262-A266 WeakPolarHBondContact O-CB 3.35Å; P262-A266 PolarHBondContact O-N 3.46Å; E263-A266 PolarHBondContact O-N 3.49Å; V264-A266 VanDerWaalsContact C-N 3.25Å; V264-A266 PolarHBondContact O-N 2.86Å; A266-S345 PolarHBondContact O-OG 3.31Å; A266-S345 VanDerWaalsContact O-OG 3.05Å
267	S	95.7	Very high	94.8	Very high	30 Å²	30	60.5 Å²	60.5	21%	0.21	32%	0.318	C	S	.	.	H	α-helix	trans	-72.5	-32.7	177	75	0	0	0	0	113	E263 V264 K265 S345 K346	E263-S267 PolarHBondContact O-N 3.27Å; E263-S267 VanDerWaalsContact O-N 3.1Å; V264-S267 PolarHBondContact O-N 2.9Å; V264-S267 VanDerWaalsContact O-N 3.09Å; V264-S267 PolarHBondContact O-OG 3.5Å; K265-S267 VanDerWaalsContact C-N 3.34Å; K265-S267 PolarHBondContact O-N 3.38Å; S267-S345 PolarHBondContact O-N 3.46Å; S267-S345 PolarHBondContact O-OG 3.24Å; S267-K346 PolarHBondContact O-N 3.48Å; S267-K346 VanDerWaalsContact O-N 3.09Å
268	Y	95.1	Very high	94.7	Very high	28 Å²	28	66.8 Å²	66.8	11%	0.11	35%	0.346	C	S	.	.	H	α-helix	trans	-81.2	-40.1	173.9	-78.3	-83.8	0	0	0	112.5	E153 W154 W257 V264 K265 Y272 P344 S345	E153-Y268 VanDerWaalsContact OE2-CE2 3.24Å; E153-Y268 WeakPolarHBondContact OE2-CE2 3.45Å; E153-Y268 PolarHBondContact OE2-OH 3.18Å; W154-Y268 AromaticContact CD1-CE2 3.82Å; W154-Y268 AromaticContact CD1-CZ 4Å; W154-Y268 HydrophobicContact CZ2-CD1 4.23Å; W154-Y268 HydrophobicContact CZ2-CE1 4.41Å; W154-Y268 HydrophobicContact CZ2-CG 4.36Å; W154-Y268 AromaticContact NE1-CD2 3.56Å; W154-Y268 AromaticContact NE1-CE1 3.78Å; W154-Y268 AromaticContact NE1-CE2 3.14Å; W154-Y268 AromaticContact NE1-CZ 3.27Å; W154-Y268 VanDerWaalsContact NE1-CZ 3.27Å; W257-Y268 HydrophobicContact CZ3-CG 4.4Å; V264-Y268 HydrophobicContact CG1-CD2 3.93Å; V264-Y268 HydrophobicContact CG1-CE2 3.84Å; V264-Y268 WeakPolarHBondContact O-CD2 3.24Å; V264-Y268 PolarHBondContact O-N 3.12Å; K265-Y268 PolarHBondContact O-N 2.67Å; Y268-Y272 AromaticContact CD1-CD1 3.61Å; Y268-Y272 HydrophobicContact CD1-CD1 3.61Å; Y268-Y272 AromaticContact CD1-CD2 3.81Å; Y268-Y272 HydrophobicContact CD1-CD2 3.81Å; Y268-Y272 AromaticContact CD1-CE1 3.48Å; Y268-Y272 HydrophobicContact CD1-CE1 3.48Å; Y268-Y272 VanDerWaalsContact CD1-CE1 3.48Å; Y268-Y272 AromaticContact CD1-CE2 3.67Å; Y268-Y272 HydrophobicContact CD1-CE2 3.67Å; Y268-Y272 AromaticContact CD1-CG 3.77Å; Y268-Y272 HydrophobicContact CD1-CG 3.77Å; Y268-Y272 AromaticContact CD1-CZ 3.5Å; Y268-Y272 HydrophobicContact CE1-CD1 4.4Å; Y268-Y272 AromaticContact CE1-CE1 3.83Å; Y268-Y272 HydrophobicContact CE1-CE1 3.83Å; Y268-Y272 HydrophobicContact CE1-CE2 4.19Å; Y268-Y272 AromaticContact CE1-CZ 3.7Å; Y268-Y272 HydrophobicContact CG-CD1 4.26Å; Y268-Y272 HydrophobicContact CG-CE1 4.49Å; Y268-Y272 HydrophobicContact CG-CG 4.31Å; Y268-Y272 WeakPolarHBondContact O-CB 3.47Å; Y268-P344 HydrophobicContact CD1-CB 4.23Å; Y268-P344 HydrophobicContact CD1-CG 4.01Å; Y268-P344 HydrophobicContact CE1-CG 4.1Å; Y268-S345 PolarHBondContact O-N 3.23Å
269	G	95	Very high	94.5	Very high	15 Å²	15	63.4 Å²	63.4	16%	0.155	33%	0.328	C	S	.	.			trans	92.3	150.1	-177.6	0	0	0	0	0	113.3	K265 K271 Y272 S345	K265-G269 PolarHBondContact O-N 3.15Å; G269-K271 PolarHBondContact O-N 2.79Å; G269-K271 VanDerWaalsContact O-N 3.11Å; G269-Y272 VanDerWaalsContact O-CB 3.25Å; G269-Y272 WeakPolarHBondContact O-CB 3.29Å; G269-Y272 PolarHBondContact O-N 2.99Å; G269-S345 PolarHBondContact N-OG 3.19Å
270	E	89.9	Confident	94.3	Very high	151 Å²	151	61.1 Å²	61.1	71%	0.706	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-33.9	-170.8	-62.9	-59.9	143.7	0	0	114.4
271	K	94.3	Very high	94.2	Very high	162 Å²	162	65.8 Å²	65.8	70%	0.704	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-3.9	-178.2	-63.6	-175.5	179.5	179.2	0	113.9	G269 N275	G269-K271 PolarHBondContact O-N 2.79Å; G269-K271 VanDerWaalsContact O-N 3.11Å; K271-N275 WeakPolarHBondContact O-CB 3.41Å; K271-N275 VanDerWaalsContact O-CG 3.23Å; K271-N275 PolarHBondContact O-N 3.5Å; K271-N275 VanDerWaalsContact O-N 3.07Å; K271-N275 PolarHBondContact O-ND2 2.66Å
272	Y	94.8	Very high	93.9	Very high	20 Å²	20	69.1 Å²	69.1	8%	0.078	35%	0.346	C	S	.	.	H	α-helix	trans	-65	-47.6	-171.8	-174.9	-85.1	0	0	0	111.8	W154 Y268 G269 D274 N275 Y276 P342 P344	W154-Y272 AromaticContact CH2-CD1 3.9Å; W154-Y272 HydrophobicContact CH2-CD1 3.9Å; W154-Y272 HydrophobicContact CH2-CE1 4.02Å; W154-Y272 AromaticContact CZ2-CD1 3.59Å; W154-Y272 HydrophobicContact CZ2-CD1 3.59Å; W154-Y272 AromaticContact CZ2-CE1 3.62Å; W154-Y272 HydrophobicContact CZ2-CE1 3.62Å; Y268-Y272 AromaticContact CD1-CD1 3.61Å; Y268-Y272 HydrophobicContact CD1-CD1 3.61Å; Y268-Y272 AromaticContact CD1-CD2 3.81Å; Y268-Y272 HydrophobicContact CD1-CD2 3.81Å; Y268-Y272 AromaticContact CD1-CE1 3.48Å; Y268-Y272 HydrophobicContact CD1-CE1 3.48Å; Y268-Y272 VanDerWaalsContact CD1-CE1 3.48Å; Y268-Y272 AromaticContact CD1-CE2 3.67Å; Y268-Y272 HydrophobicContact CD1-CE2 3.67Å; Y268-Y272 AromaticContact CD1-CG 3.77Å; Y268-Y272 HydrophobicContact CD1-CG 3.77Å; Y268-Y272 AromaticContact CD1-CZ 3.5Å; Y268-Y272 HydrophobicContact CE1-CD1 4.4Å; Y268-Y272 AromaticContact CE1-CE1 3.83Å; Y268-Y272 HydrophobicContact CE1-CE1 3.83Å; Y268-Y272 HydrophobicContact CE1-CE2 4.19Å; Y268-Y272 AromaticContact CE1-CZ 3.7Å; Y268-Y272 HydrophobicContact CG-CD1 4.26Å; Y268-Y272 HydrophobicContact CG-CE1 4.49Å; Y268-Y272 HydrophobicContact CG-CG 4.31Å; Y268-Y272 WeakPolarHBondContact O-CB 3.47Å; G269-Y272 VanDerWaalsContact O-CB 3.25Å; G269-Y272 WeakPolarHBondContact O-CB 3.29Å; G269-Y272 PolarHBondContact O-N 2.99Å; Y272-D274 PolarHBondContact O-N 3.15Å; Y272-N275 PolarHBondContact O-N 3.12Å; Y272-Y276 HydrophobicContact CE1-CD2 4.05Å; Y272-Y276 VanDerWaalsContact O-CB 3.29Å; Y272-Y276 WeakPolarHBondContact O-CB 3.43Å; Y272-Y276 PolarHBondContact O-N 3.29Å; Y272-P342 HydrophobicContact CD2-CB 4.14Å; Y272-P342 HydrophobicContact CD2-CG 4.14Å; Y272-P342 HydrophobicContact CE1-CG 4.26Å; Y272-P342 HydrophobicContact CE2-CB 4.01Å; Y272-P342 HydrophobicContact CE2-CG 3.74Å; Y272-P342 VanDerWaalsContact CE2-O 3.27Å; Y272-P342 WeakPolarHBondContact CE2-O 3.49Å; Y272-P344 HydrophobicContact CE2-CG 3.94Å
273	L	95.3	Very high	93.6	Very high	8 Å²	8	66.3 Å²	66.3	4%	0.042	33%	0.325	C	S	.	.	H	α-helix	trans	-58.4	-49.5	179.2	176.7	65.5	0	0	0	111.6	W154 L253 H254 W257 N275 Y276 I277	W154-L273 HydrophobicContact CH2-CB 4.46Å; W154-L273 HydrophobicContact CH2-CD1 3.92Å; W154-L273 HydrophobicContact CZ3-CD1 3.75Å; L253-L273 HydrophobicContact CB-CD1 4.02Å; H254-L273 WeakPolarHBondContact ND1-CD2 3.2Å; W257-L273 HydrophobicContact CB-CD1 4.24Å; W257-L273 HydrophobicContact CB-CD2 3.71Å; W257-L273 HydrophobicContact CB-CG 4.48Å; W257-L273 HydrophobicContact CD2-CB 4.03Å; W257-L273 HydrophobicContact CD2-CD2 4.17Å; W257-L273 HydrophobicContact CE3-CB 4.14Å; W257-L273 HydrophobicContact CG-CB 4.38Å; W257-L273 HydrophobicContact CG-CD2 3.63Å; W257-L273 HydrophobicContact CG-CG 4.43Å; L273-N275 VanDerWaalsContact C-N 3.33Å; L273-N275 PolarHBondContact O-N 3.22Å; L273-Y276 WeakPolarHBondContact O-CB 3.21Å; L273-Y276 PolarHBondContact O-N 3.48Å; L273-Y276 VanDerWaalsContact O-N 3.16Å; L273-I277 HydrophobicContact CD1-CD1 3.88Å; L273-I277 HydrophobicContact CD1-CG1 4.23Å; L273-I277 HydrophobicContact CG-CD1 3.91Å; L273-I277 WeakPolarHBondContact O-CG1 3.22Å; L273-I277 PolarHBondContact O-N 3.04Å
274	D	95.4	Very high	93.3	Very high	99 Å²	99	59.7 Å²	59.7	53%	0.529	29%	0.294	S	S	.	.	H	α-helix	trans	-61.4	-43	-178.9	-67.6	-19.4	0	0	0	111.5	Y272 K278	Y272-D274 PolarHBondContact O-N 3.15Å; D274-K278 VanDerWaalsContact O-CB 3.32Å; D274-K278 WeakPolarHBondContact O-CB 3.26Å; D274-K278 PolarHBondContact O-N 3.28Å
275	N	94.5	Very high	93	Very high	75 Å²	75	63.7 Å²	63.7	40%	0.401	32%	0.315	S	S	.	.	H	α-helix	trans	-64.4	-41.8	175.5	-72.8	-23.7	0	0	0	111.6	K271 Y272 L273 K278 I279 P342	K271-N275 WeakPolarHBondContact O-CB 3.41Å; K271-N275 VanDerWaalsContact O-CG 3.23Å; K271-N275 PolarHBondContact O-N 3.5Å; K271-N275 VanDerWaalsContact O-N 3.07Å; K271-N275 PolarHBondContact O-ND2 2.66Å; Y272-N275 PolarHBondContact O-N 3.12Å; L273-N275 VanDerWaalsContact C-N 3.33Å; L273-N275 PolarHBondContact O-N 3.22Å; N275-K278 PolarHBondContact O-N 2.8Å; N275-I279 WeakPolarHBondContact O-CB 3.48Å; N275-I279 WeakPolarHBondContact O-CD1 3.46Å; N275-I279 WeakPolarHBondContact O-CG1 3.34Å; N275-I279 PolarHBondContact O-N 2.85Å; N275-P342 HydrophobicContact CB-CB 3.94Å; N275-P342 HydrophobicContact CB-CG 4.47Å
276	Y	93.3	Very high	92.7	Very high	29 Å²	29	65 Å²	65	11%	0.114	34%	0.335	C	S	.	.	H	α-helix	trans	-61.3	-48.4	178.1	-170.5	-83.8	0	0	0	111.1	P151 L253 Y272 L273 K278 I279 Q280 L341 P342	P151-Y276 HydrophobicContact CG-CE2 4.23Å; L253-Y276 HydrophobicContact CD1-CD1 3.87Å; L253-Y276 HydrophobicContact CD1-CE1 3.93Å; L253-Y276 HydrophobicContact CD2-CD1 4.29Å; L253-Y276 HydrophobicContact CD2-CE1 3.94Å; Y272-Y276 HydrophobicContact CE1-CD2 4.05Å; Y272-Y276 VanDerWaalsContact O-CB 3.29Å; Y272-Y276 WeakPolarHBondContact O-CB 3.43Å; Y272-Y276 PolarHBondContact O-N 3.29Å; L273-Y276 WeakPolarHBondContact O-CB 3.21Å; L273-Y276 PolarHBondContact O-N 3.48Å; L273-Y276 VanDerWaalsContact O-N 3.16Å; Y276-K278 VanDerWaalsContact C-N 3.34Å; Y276-K278 PolarHBondContact O-N 2.93Å; Y276-I279 PolarHBondContact O-N 3.31Å; Y276-Q280 WeakPolarHBondContact O-CB 3.28Å; Y276-Q280 PolarHBondContact O-N 3.41Å; Y276-L341 HydrophobicContact CE2-CD2 4.1Å; Y276-P342 HydrophobicContact CD2-CG 3.94Å; Y276-P342 HydrophobicContact CG-CG 4.41Å
277	I	94.3	Very high	92.3	Very high	8 Å²	8	63.9 Å²	63.9	4%	0.041	32%	0.323	C	S	.	.	H	α-helix	trans	-59.9	-45	175.6	-71.1	170	0	0	0	110.6	E250 L253 L273 I279 Q280 R281	E250-I277 HydrophobicContact CG-CG1 4.49Å; E250-I277 HydrophobicContact CG-CG2 3.82Å; L253-I277 HydrophobicContact CD1-CG1 3.88Å; L273-I277 HydrophobicContact CD1-CD1 3.88Å; L273-I277 HydrophobicContact CD1-CG1 4.23Å; L273-I277 HydrophobicContact CG-CD1 3.91Å; L273-I277 WeakPolarHBondContact O-CG1 3.22Å; L273-I277 PolarHBondContact O-N 3.04Å; I277-I279 PolarHBondContact O-N 2.85Å; I277-Q280 PolarHBondContact O-N 3.12Å; I277-R281 HydrophobicContact CG2-CG 4.41Å; I277-R281 WeakPolarHBondContact O-CG 3.24Å; I277-R281 PolarHBondContact O-N 3.37Å
278	K	94.5	Very high	92.1	Very high	152 Å²	152	63 Å²	63	66%	0.661	32%	0.317	S	S	*	.	H	α-helix	trans	-61.2	-44.3	179.5	-172.2	178	-178.5	179.2	0	112.3	D274 N275 Y276 R281 L282	D274-K278 VanDerWaalsContact O-CB 3.32Å; D274-K278 WeakPolarHBondContact O-CB 3.26Å; D274-K278 PolarHBondContact O-N 3.28Å; N275-K278 PolarHBondContact O-N 2.8Å; Y276-K278 VanDerWaalsContact C-N 3.34Å; Y276-K278 PolarHBondContact O-N 2.93Å; K278-R281 PolarHBondContact O-N 3.03Å; K278-L282 PolarHBondContact O-N 2.93Å
279	I	91.8	Very high	92	Very high	37 Å²	37	62.7 Å²	62.7	19%	0.19	32%	0.317	C	S	.	.	H	α-helix	trans	-64.5	-44.6	176.3	-73.1	158.6	0	0	0	110.3	N275 Y276 I277 R281 L282 I283 V340 P342	N275-I279 WeakPolarHBondContact O-CB 3.48Å; N275-I279 WeakPolarHBondContact O-CD1 3.46Å; N275-I279 WeakPolarHBondContact O-CG1 3.34Å; N275-I279 PolarHBondContact O-N 2.85Å; Y276-I279 PolarHBondContact O-N 3.31Å; I277-I279 PolarHBondContact O-N 2.85Å; I279-R281 PolarHBondContact O-N 2.84Å; I279-L282 WeakPolarHBondContact O-CB 3.11Å; I279-L282 PolarHBondContact O-N 3.3Å; I279-L282 VanDerWaalsContact O-N 3.17Å; I279-I283 HydrophobicContact CG2-CD1 3.67Å; I279-I283 HydrophobicContact CG2-CG1 4.36Å; I279-I283 WeakPolarHBondContact O-CG1 3.48Å; I279-I283 PolarHBondContact O-N 3.3Å; I279-V340 VanDerWaalsContact CD1-O 3.26Å; I279-V340 WeakPolarHBondContact CD1-O 3.37Å; I279-V340 HydrophobicContact CG2-CG1 3.87Å; I279-V340 WeakPolarHBondContact CG2-O 3.4Å; I279-P342 HydrophobicContact CD1-CB 4.12Å; I279-P342 HydrophobicContact CD1-CG 4.18Å
280	Q	90.1	Very high	91.9	Very high	14 Å²	14	66.2 Å²	66.2	7%	0.065	34%	0.339	C	S	.	.	H	α-helix	trans	-62.4	-43.4	178.2	-173.5	166	7.6	0	0	112.2	L253 Y276 I277 L282 I283 M284	L253-Q280 VanDerWaalsContact CD1-OE1 3.31Å; Y276-Q280 WeakPolarHBondContact O-CB 3.28Å; Y276-Q280 PolarHBondContact O-N 3.41Å; I277-Q280 PolarHBondContact O-N 3.12Å; Q280-L282 VanDerWaalsContact C-N 3.32Å; Q280-L282 PolarHBondContact O-N 3.02Å; Q280-I283 PolarHBondContact O-N 3.4Å; Q280-M284 HydrophobicContact CG-CE 4.34Å; Q280-M284 HydrophobicContact CG-CG 4.12Å; Q280-M284 WeakPolarHBondContact O-CB 3.5Å; Q280-M284 WeakPolarHBondContact O-CG 3.17Å; Q280-M284 PolarHBondContact O-N 3.07Å
281	R	91.9	Very high	92.2	Very high	116 Å²	116	61.7 Å²	61.7	44%	0.438	32%	0.32	S	S	.	.	H	α-helix	trans	-56.5	-46.6	172.2	-75.2	179.3	176.8	166.9	3.1	111.4	L246 E250 I277 K278 I279 N285	L246-R281 HydrophobicContact CD1-CG 4.2Å; L246-R281 HydrophobicContact CD2-CG 4.2Å; E250-R281 VanDerWaalsContact CD-NH2 3.29Å; E250-R281 WeakPolarHBondContact OE1-CG 3.35Å; E250-R281 IonicContact OE1-CZ 2.71Å; E250-R281 IonicContact OE1-NE 2.71Å; E250-R281 PolarHBondContact OE1-NE 2.6Å; E250-R281 IonicContact OE1-NH2 2.93Å; E250-R281 PolarHBondContact OE1-NH2 3.36Å; E250-R281 IonicContact OE2-CZ 3.47Å; E250-R281 IonicContact OE2-NE 3.67Å; E250-R281 IonicContact OE2-NH2 3.85Å; E250-R281 PolarHBondContact OE2-NH2 3.36Å; I277-R281 HydrophobicContact CG2-CG 4.41Å; I277-R281 WeakPolarHBondContact O-CG 3.24Å; I277-R281 PolarHBondContact O-N 3.37Å; K278-R281 PolarHBondContact O-N 3.03Å; I279-R281 PolarHBondContact O-N 2.84Å; R281-N285 VanDerWaalsContact O-CB 3.26Å; R281-N285 WeakPolarHBondContact O-CB 3.35Å; R281-N285 VanDerWaalsContact O-CG 3.22Å; R281-N285 PolarHBondContact O-N 2.93Å; R281-N285 PolarHBondContact O-ND2 3.45Å; R281-N285 VanDerWaalsContact O-ND2 3.15Å
282	L	91.6	Very high	92.3	Very high	124 Å²	124	55.5 Å²	55.5	65%	0.649	29%	0.294	S	S	*	.	H	α-helix	trans	-59.9	-50.4	179.7	-177.8	67.4	0	0	0	111.4	K278 I279 Q280 N285 A286	K278-L282 PolarHBondContact O-N 2.93Å; I279-L282 WeakPolarHBondContact O-CB 3.11Å; I279-L282 PolarHBondContact O-N 3.3Å; I279-L282 VanDerWaalsContact O-N 3.17Å; Q280-L282 VanDerWaalsContact C-N 3.32Å; Q280-L282 PolarHBondContact O-N 3.02Å; L282-N285 PolarHBondContact O-N 2.95Å; L282-A286 WeakPolarHBondContact O-CB 3.39Å; L282-A286 PolarHBondContact O-N 3.16Å
283	I	89.2	Confident	92.4	Very high	52 Å²	52	57.5 Å²	57.5	27%	0.267	31%	0.308	S	S	.	.	H	α-helix	trans	-62.4	-49.6	180	-64.9	165.3	0	0	0	110.6	I279 Q280 N285 A286 V287 V340	I279-I283 HydrophobicContact CG2-CD1 3.67Å; I279-I283 HydrophobicContact CG2-CG1 4.36Å; I279-I283 WeakPolarHBondContact O-CG1 3.48Å; I279-I283 PolarHBondContact O-N 3.3Å; Q280-I283 PolarHBondContact O-N 3.4Å; I283-N285 VanDerWaalsContact C-N 3.31Å; I283-N285 PolarHBondContact O-N 3.28Å; I283-A286 PolarHBondContact O-N 2.84Å; I283-V287 HydrophobicContact CG2-CG2 4.2Å; I283-V287 WeakPolarHBondContact O-CB 3.4Å; I283-V287 WeakPolarHBondContact O-CG2 3.35Å; I283-V287 PolarHBondContact O-N 2.77Å; I283-V340 HydrophobicContact CD1-CG1 3.6Å; I283-V340 HydrophobicContact CG1-CG1 4.28Å
284	M	88.2	Confident	92.6	Very high	15 Å²	15	61.2 Å²	61.2	7%	0.074	32%	0.324	C	S	.	.	H	α-helix	trans	-64	-38.3	-176.8	-66.8	-66.2	155.6	0	0	111.5	F238 L246 Q280 C288	F238-M284 HydrophobicContact CD1-CE 4.06Å; F238-M284 HydrophobicContact CD1-SD 3.94Å; F238-M284 HydrophobicContact CE1-CE 3.74Å; F238-M284 HydrophobicContact CE1-SD 4.26Å; L246-M284 HydrophobicContact CD2-CB 3.89Å; L246-M284 HydrophobicContact CD2-CG 3.93Å; L246-M284 HydrophobicContact CG-CB 4.42Å; Q280-M284 HydrophobicContact CG-CE 4.34Å; Q280-M284 HydrophobicContact CG-CG 4.12Å; Q280-M284 WeakPolarHBondContact O-CB 3.5Å; Q280-M284 WeakPolarHBondContact O-CG 3.17Å; Q280-M284 PolarHBondContact O-N 3.07Å; M284-C288 WeakPolarHBondContact O-CB 3.43Å; M284-C288 PolarHBondContact O-N 3.05Å; M284-C288 VanDerWaalsContact O-N 3.09Å; M284-C288 PolarHBondContact O-SG 2.83Å
285	N	88.9	Confident	92.7	Very high	108 Å²	108	56.5 Å²	56.5	58%	0.578	30%	0.299	S	S	*	.	H	α-helix	trans	-70.3	-32	176.9	-73.5	-27.5	0	0	0	113	R281 L282 I283	R281-N285 VanDerWaalsContact O-CB 3.26Å; R281-N285 WeakPolarHBondContact O-CB 3.35Å; R281-N285 VanDerWaalsContact O-CG 3.22Å; R281-N285 PolarHBondContact O-N 2.93Å; R281-N285 PolarHBondContact O-ND2 3.45Å; R281-N285 VanDerWaalsContact O-ND2 3.15Å; L282-N285 PolarHBondContact O-N 2.95Å; I283-N285 VanDerWaalsContact C-N 3.31Å; I283-N285 PolarHBondContact O-N 3.28Å
286	A	87.9	Confident	92.9	Very high	76 Å²	76	53 Å²	53	63%	0.628	28%	0.28	S	S	*	.	H	α-helix	trans	-80.5	-39.2	179.9	0	0	0	0	0	113.3	L282 I283	L282-A286 WeakPolarHBondContact O-CB 3.39Å; L282-A286 PolarHBondContact O-N 3.16Å; I283-A286 PolarHBondContact O-N 2.84Å
287	V	87.6	Confident	93.1	Very high	23 Å²	23	53.7 Å²	53.7	14%	0.139	29%	0.289	C	S	.	.	H	α-helix	trans	-99.9	-30	-169	-170.7	0	0	0	0	112.7	F238 I283 D289 W316 D317	F238-V287 HydrophobicContact CB-CB 4.46Å; F238-V287 HydrophobicContact CB-CG1 4.02Å; F238-V287 HydrophobicContact CD2-CG1 4.03Å; F238-V287 HydrophobicContact CG-CG1 4.31Å; I283-V287 HydrophobicContact CG2-CG2 4.2Å; I283-V287 WeakPolarHBondContact O-CB 3.4Å; I283-V287 WeakPolarHBondContact O-CG2 3.35Å; I283-V287 PolarHBondContact O-N 2.77Å; V287-D289 PolarHBondContact O-N 2.71Å; V287-D289 VanDerWaalsContact O-N 3.11Å; V287-W316 HydrophobicContact CG1-CZ2 4.38Å; V287-D317 HydrophobicContact CG1-CB 3.89Å
288	C	90.3	Very high	93.3	Very high	12 Å²	12	54.4 Å²	54.4	8%	0.081	30%	0.295	C	S	.	.			trans	-67.9	114.6	-175.3	-66.8	0	0	0	0	112.3	F238 K240 M284	F238-C288 WeakPolarHBondContact O-CA 3.37Å; K240-C288 VanDerWaalsContact CE-O 3.28Å; K240-C288 WeakPolarHBondContact CE-O 3.41Å; K240-C288 HydrophobicContact CG-CB 3.64Å; M284-C288 WeakPolarHBondContact O-CB 3.43Å; M284-C288 PolarHBondContact O-N 3.05Å; M284-C288 VanDerWaalsContact O-N 3.09Å; M284-C288 PolarHBondContact O-SG 2.83Å
289	D	93.3	Very high	93.5	Very high	21 Å²	21	47.2 Å²	47.2	11%	0.112	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-75.9	135	174.9	-159	-40.9	0	0	0	110.6	F238 F239 K240 V287 D291 K294	F238-D289 PolarHBondContact O-N 2.81Å; F239-D289 CarbonylContact C-O 3.59Å; F239-D289 VanDerWaalsContact CA-O 3.31Å; F239-D289 WeakPolarHBondContact CA-O 3.27Å; F239-D289 HydrophobicContact CD1-CB 3.74Å; F239-D289 HydrophobicContact CE1-CB 3.73Å; F239-D289 HydrophobicContact CG-CB 4.46Å; F239-D289 HydrophobicContact CZ-CB 4.44Å; K240-D289 PolarHBondContact N-O 3.07Å; V287-D289 PolarHBondContact O-N 2.71Å; V287-D289 VanDerWaalsContact O-N 3.11Å; D289-D291 WeakPolarHBondContact OD1-CB 3.3Å; D289-D291 PolarHBondContact OD1-N 2.86Å; D289-K294 VanDerWaalsContact CG-NZ 3.28Å; D289-K294 IonicContact OD1-NZ 2.61Å; D289-K294 PolarHBondContact OD1-NZ 3.41Å; D289-K294 IonicContact OD2-NZ 2.87Å; D289-K294 PolarHBondContact OD2-NZ 2.92Å
290	S	93	Very high	93.8	Very high	88 Å²	88	46.2 Å²	46.2	62%	0.615	26%	0.258	S	S	*	.	S	Bend	trans	-82.6	-19.7	176.4	50.8	0	0	0	0	113	L292	S290-L292 PolarHBondContact O-N 3.33Å; S290-L292 VanDerWaalsContact O-N 3.09Å
291	D	96.2	Very high	94.2	Very high	57 Å²	57	47.4 Å²	47.4	31%	0.305	26%	0.264	S	S	.	.			trans	-83.5	86.6	-178.2	179.6	16.1	0	0	0	111.3	F239 D289 T293 K294	F239-D291 WeakPolarHBondContact CE1-O 3.23Å; D289-D291 WeakPolarHBondContact OD1-CB 3.3Å; D289-D291 PolarHBondContact OD1-N 2.86Å; D291-T293 VanDerWaalsContact CG-OG1 3.3Å; D291-T293 PolarHBondContact O-N 3.01Å; D291-T293 VanDerWaalsContact O-N 3.15Å; D291-T293 WeakPolarHBondContact OD1-CB 3.39Å; D291-T293 VanDerWaalsContact OD1-CG2 3.29Å; D291-T293 WeakPolarHBondContact OD1-CG2 3.33Å; D291-T293 PolarHBondContact OD1-N 3.45Å; D291-T293 PolarHBondContact OD1-OG1 3.08Å; D291-T293 PolarHBondContact OD2-OG1 3.47Å; D291-K294 HydrophobicContact CB-CD 4.27Å; D291-K294 PolarHBondContact O-N 3.24Å; D291-K294 WeakPolarHBondContact OD2-CE 3.48Å; D291-K294 IonicContact OD2-NZ 3.39Å
292	L	96.7	Very high	94.6	Very high	31 Å²	31	41.9 Å²	41.9	16%	0.162	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-14.3	177.2	-51.7	-171.9	0	0	0	113	F71 L74 F239 T241 S290 K294 V295 T296	F71-L292 HydrophobicContact CD1-CB 4.05Å; F71-L292 HydrophobicContact CD1-CD2 4.38Å; F71-L292 HydrophobicContact CE1-CB 3.99Å; F71-L292 HydrophobicContact CE1-CD2 3.69Å; F71-L292 HydrophobicContact CE1-CG 4.28Å; F71-L292 HydrophobicContact CZ-CD2 4.46Å; L74-L292 HydrophobicContact CD2-CB 3.71Å; F239-L292 HydrophobicContact CB-CD2 3.82Å; F239-L292 HydrophobicContact CD1-CD2 4.09Å; F239-L292 HydrophobicContact CG-CD2 4.38Å; T241-L292 HydrophobicContact CG2-CD1 4.24Å; T241-L292 HydrophobicContact CG2-CD2 3.87Å; S290-L292 PolarHBondContact O-N 3.33Å; S290-L292 VanDerWaalsContact O-N 3.09Å; L292-K294 PolarHBondContact O-N 2.95Å; L292-V295 PolarHBondContact O-N 3.3Å; L292-T296 PolarHBondContact O-N 3.45Å
293	T	97.3	Very high	94.9	Very high	63 Å²	63	36 Å²	36	39%	0.387	21%	0.212	S	C	.	.	H	α-helix	trans	-66.2	-24.6	-179.1	76.9	0	0	0	0	111.9	L74 D291 V295 T296 S297	L74-T293 HydrophobicContact CD2-CG2 4.26Å; D291-T293 VanDerWaalsContact CG-OG1 3.3Å; D291-T293 PolarHBondContact O-N 3.01Å; D291-T293 VanDerWaalsContact O-N 3.15Å; D291-T293 WeakPolarHBondContact OD1-CB 3.39Å; D291-T293 VanDerWaalsContact OD1-CG2 3.29Å; D291-T293 WeakPolarHBondContact OD1-CG2 3.33Å; D291-T293 PolarHBondContact OD1-N 3.45Å; D291-T293 PolarHBondContact OD1-OG1 3.08Å; D291-T293 PolarHBondContact OD2-OG1 3.47Å; T293-V295 VanDerWaalsContact C-N 3.27Å; T293-V295 PolarHBondContact O-N 3.46Å; T293-T296 WeakPolarHBondContact CA-OG1 3.24Å; T293-T296 PolarHBondContact O-N 2.94Å; T293-T296 PolarHBondContact O-OG1 2.88Å; T293-S297 WeakPolarHBondContact O-CB 3.32Å; T293-S297 PolarHBondContact O-N 3.17Å; T293-S297 PolarHBondContact O-OG 2.65Å
294	K	97.8	Very high	95.3	Very high	85 Å²	85	33.5 Å²	33.5	37%	0.37	20%	0.199	S	C	.	.	H	α-helix	trans	-58	-40.9	173.9	-70.3	164.6	-179.5	161	0	111.9	F239 D289 D291 L292 C298	F239-K294 HydrophobicContact CE1-CB 4.01Å; F239-K294 HydrophobicContact CE1-CD 4.18Å; F239-K294 HydrophobicContact CZ-CB 4.08Å; D289-K294 VanDerWaalsContact CG-NZ 3.28Å; D289-K294 IonicContact OD1-NZ 2.61Å; D289-K294 PolarHBondContact OD1-NZ 3.41Å; D289-K294 IonicContact OD2-NZ 2.87Å; D289-K294 PolarHBondContact OD2-NZ 2.92Å; D291-K294 HydrophobicContact CB-CD 4.27Å; D291-K294 PolarHBondContact O-N 3.24Å; D291-K294 WeakPolarHBondContact OD2-CE 3.48Å; D291-K294 IonicContact OD2-NZ 3.39Å; L292-K294 PolarHBondContact O-N 2.95Å; K294-C298 PolarHBondContact O-SG 3.46Å
295	V	98.3	Very high	95.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-77.6	-48.6	178.9	-175.4	0	0	0	0	110.8	F71 I234 P236 F239 L292 T293 S297 C298 M299 A314	F71-V295 HydrophobicContact CD1-CB 3.82Å; F71-V295 HydrophobicContact CD1-CG1 4.03Å; F71-V295 HydrophobicContact CD1-CG2 4.24Å; F71-V295 HydrophobicContact CD2-CG1 4.18Å; F71-V295 HydrophobicContact CE1-CB 3.62Å; F71-V295 HydrophobicContact CE1-CG1 4.05Å; F71-V295 HydrophobicContact CE1-CG2 3.51Å; F71-V295 HydrophobicContact CE2-CG1 4.2Å; F71-V295 HydrophobicContact CE2-CG2 4.42Å; F71-V295 HydrophobicContact CG-CB 4.4Å; F71-V295 HydrophobicContact CG-CG1 4.09Å; F71-V295 HydrophobicContact CZ-CB 4.04Å; F71-V295 HydrophobicContact CZ-CG1 4.13Å; F71-V295 HydrophobicContact CZ-CG2 3.62Å; I234-V295 HydrophobicContact CG2-CG1 4.02Å; P236-V295 HydrophobicContact CB-CG1 4.4Å; P236-V295 HydrophobicContact CB-CG2 3.99Å; P236-V295 HydrophobicContact CG-CG1 3.79Å; P236-V295 HydrophobicContact CG-CG2 4.29Å; F239-V295 HydrophobicContact CD1-CG2 4.11Å; F239-V295 HydrophobicContact CD2-CG2 3.7Å; F239-V295 HydrophobicContact CE1-CG2 3.86Å; F239-V295 HydrophobicContact CE2-CG2 3.43Å; F239-V295 VanDerWaalsContact CE2-CG2 3.43Å; F239-V295 HydrophobicContact CG-CG2 4.05Å; F239-V295 HydrophobicContact CZ-CG2 3.52Å; L292-V295 PolarHBondContact O-N 3.3Å; T293-V295 VanDerWaalsContact C-N 3.27Å; T293-V295 PolarHBondContact O-N 3.46Å; V295-S297 VanDerWaalsContact C-N 3.26Å; V295-S297 PolarHBondContact O-N 3.36Å; V295-C298 WeakPolarHBondContact O-CB 3.41Å; V295-C298 PolarHBondContact O-N 2.75Å; V295-C298 VanDerWaalsContact O-N 3.07Å; V295-M299 HydrophobicContact CG1-CE 3.58Å; V295-M299 HydrophobicContact CG1-SD 4.44Å; V295-M299 PolarHBondContact O-N 2.9Å; V295-A314 HydrophobicContact CB-CB 4.3Å; V295-A314 HydrophobicContact CG2-CB 3.8Å
296	T	98.4	Very high	96.2	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-68.9	-25.5	-177.2	60.1	0	0	0	0	112.9	F71 L74 L75 L292 T293 M299 E300	F71-T296 HydrophobicContact CB-CG2 4.28Å; F71-T296 HydrophobicContact CD1-CG2 4.48Å; F71-T296 WeakPolarHBondContact O-CG2 3.27Å; L74-T296 HydrophobicContact CB-CG2 4Å; L74-T296 HydrophobicContact CD2-CG2 3.89Å; L74-T296 HydrophobicContact CG-CG2 3.94Å; L75-T296 HydrophobicContact CB-CG2 4.1Å; L292-T296 PolarHBondContact O-N 3.45Å; T293-T296 WeakPolarHBondContact CA-OG1 3.24Å; T293-T296 PolarHBondContact O-N 2.94Å; T293-T296 PolarHBondContact O-OG1 2.88Å; T296-M299 HydrophobicContact CG2-SD 4.44Å; T296-M299 PolarHBondContact O-N 3.49Å; T296-E300 WeakPolarHBondContact O-CB 3.33Å; T296-E300 PolarHBondContact O-N 3.47Å
297	S	98.2	Very high	96.6	Very high	44 Å²	44	30 Å²	30	31%	0.308	17%	0.173	S	C	.	.	H	α-helix	trans	-69.9	-35	170.5	-56.3	0	0	0	0	112.3	K78 T293 V295 E300 H301	K78-S297 PolarHBondContact NZ-OG 3.33Å; T293-S297 WeakPolarHBondContact O-CB 3.32Å; T293-S297 PolarHBondContact O-N 3.17Å; T293-S297 PolarHBondContact O-OG 2.65Å; V295-S297 VanDerWaalsContact C-N 3.26Å; V295-S297 PolarHBondContact O-N 3.36Å; S297-E300 PolarHBondContact O-N 2.95Å; S297-H301 VanDerWaalsContact O-CB 3.31Å; S297-H301 WeakPolarHBondContact O-CB 3.22Å; S297-H301 PolarHBondContact O-N 2.64Å
298	C	98.6	Very high	97.1	Very high	24 Å²	24	30.1 Å²	30.1	16%	0.162	17%	0.174	C	C	.	.	H	α-helix	trans	-65.3	-42.4	171	-67.9	0	0	0	0	111.4	I234 K294 V295 H301 A302 Y312	I234-C298 HydrophobicContact CD1-CB 4.22Å; I234-C298 HydrophobicContact CG2-CB 4.33Å; K294-C298 PolarHBondContact O-SG 3.46Å; V295-C298 WeakPolarHBondContact O-CB 3.41Å; V295-C298 PolarHBondContact O-N 2.75Å; V295-C298 VanDerWaalsContact O-N 3.07Å; C298-H301 PolarHBondContact O-N 3.2Å; C298-A302 WeakPolarHBondContact O-CB 3.32Å; C298-A302 PolarHBondContact O-N 3.3Å; C298-Y312 HydrophobicContact CB-CD1 4.01Å; C298-Y312 HydrophobicContact CB-CG 4.1Å
299	M	98.8	Very high	97.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-44.4	175	-65.3	169.8	-179.7	0	0	111.8	F71 L75 V140 V192 I234 V295 T296 A302 L303	F71-M299 HydrophobicContact CB-CE 3.84Å; F71-M299 HydrophobicContact CB-SD 4.44Å; F71-M299 HydrophobicContact CD2-CE 4.41Å; F71-M299 HydrophobicContact CG-CE 4.3Å; L75-M299 HydrophobicContact CB-SD 4.46Å; L75-M299 HydrophobicContact CD1-CB 3.88Å; L75-M299 HydrophobicContact CD2-CB 3.86Å; L75-M299 HydrophobicContact CD2-CG 4.41Å; L75-M299 HydrophobicContact CD2-SD 3.83Å; L75-M299 HydrophobicContact CG-CB 4.48Å; V140-M299 HydrophobicContact CG1-SD 4.41Å; V192-M299 HydrophobicContact CB-CE 4.31Å; V192-M299 HydrophobicContact CG1-CE 3.93Å; V192-M299 HydrophobicContact CG2-CE 3.36Å; I234-M299 HydrophobicContact CD1-CG 4.39Å; I234-M299 HydrophobicContact CG1-CG 3.91Å; V295-M299 HydrophobicContact CG1-CE 3.58Å; V295-M299 HydrophobicContact CG1-SD 4.44Å; V295-M299 PolarHBondContact O-N 2.9Å; T296-M299 HydrophobicContact CG2-SD 4.44Å; T296-M299 PolarHBondContact O-N 3.49Å; M299-A302 WeakPolarHBondContact O-CB 3.38Å; M299-A302 PolarHBondContact O-N 3.43Å; M299-L303 WeakPolarHBondContact O-CG 3.41Å; M299-L303 PolarHBondContact O-N 3.48Å
300	E	98.6	Very high	97.6	Very high	17 Å²	17	35.4 Å²	35.4	8%	0.079	20%	0.197	C	C	.	.	H	α-helix	trans	-62.2	-48.4	175.8	-178.2	-173.4	179.2	0	0	111.3	L75 K78 L79 R82 T296 S297 A302 L303 T304	L75-E300 HydrophobicContact CD1-CB 4.46Å; K78-E300 WeakPolarHBondContact CD-OE2 3.44Å; K78-E300 WeakPolarHBondContact CE-OE2 3.42Å; K78-E300 IonicContact NZ-OE2 3.62Å; K78-E300 PolarHBondContact NZ-OE2 3.16Å; L79-E300 HydrophobicContact CD2-CG 4.27Å; R82-E300 WeakPolarHBondContact CD-OE1 3.39Å; R82-E300 WeakPolarHBondContact CG-OE1 3.31Å; R82-E300 IonicContact CZ-OE1 3.44Å; R82-E300 IonicContact NE-OE1 2.74Å; R82-E300 PolarHBondContact NE-OE1 3.35Å; T296-E300 WeakPolarHBondContact O-CB 3.33Å; T296-E300 PolarHBondContact O-N 3.47Å; S297-E300 PolarHBondContact O-N 2.95Å; E300-A302 VanDerWaalsContact C-N 3.26Å; E300-A302 PolarHBondContact O-N 3.24Å; E300-L303 CarbonylContact O-C 3.45Å; E300-L303 VanDerWaalsContact O-CA 3.3Å; E300-L303 WeakPolarHBondContact O-CA 3.43Å; E300-L303 WeakPolarHBondContact O-CB 3.46Å; E300-L303 PolarHBondContact O-N 2.8Å; E300-T304 HydrophobicContact CG-CG2 3.99Å; E300-T304 PolarHBondContact O-N 3.37Å; E300-T304 PolarHBondContact O-OG1 3.08Å
301	H	98.6	Very high	97.9	Very high	38 Å²	38	34.6 Å²	34.6	18%	0.176	18%	0.18	C	C	.	.	H	α-helix	trans	-58.4	-41.1	176.8	-176.4	-79.2	0	0	0	111.4	D50 S297 C298 L303 T304 A305 Y312	D50-H301 PolarHBondContact O-NE2 3.39Å; D50-H301 IonicContact OD1-CE1 3.39Å; D50-H301 PolarHBondContact OD1-CE1 3.12Å; D50-H301 IonicContact OD1-NE2 3.49Å; D50-H301 IonicContact OD2-CE1 2.6Å; D50-H301 IonicContact OD2-NE2 3.35Å; D50-H301 PolarHBondContact OD2-NE2 2.67Å; S297-H301 VanDerWaalsContact O-CB 3.31Å; S297-H301 WeakPolarHBondContact O-CB 3.22Å; S297-H301 PolarHBondContact O-N 2.64Å; C298-H301 PolarHBondContact O-N 3.2Å; H301-L303 PolarHBondContact O-N 3.32Å; H301-L303 VanDerWaalsContact O-N 3.16Å; H301-T304 PolarHBondContact O-N 2.89Å; H301-A305 WeakPolarHBondContact CE1-CB 3.41Å; H301-A305 WeakPolarHBondContact O-CB 3.32Å; H301-A305 PolarHBondContact O-N 3.09Å; H301-Y312 HydrophobicContact CB-CE1 4.19Å; H301-Y312 AromaticContact CG-CE1 3.94Å; H301-Y312 AromaticContact ND1-CE1 3.24Å; H301-Y312 WeakPolarHBondContact ND1-CE1 3.33Å; H301-Y312 AromaticContact ND1-CZ 3.47Å; H301-Y312 PolarHBondContact ND1-OH 3.32Å
302	A	98.7	Very high	98	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.6	-25	173.1	0	0	0	0	0	112.7	R188 V190 C232 I234 C298 M299 E300 Y312	R188-A302 WeakPolarHBondContact CD-O 3.41Å; R188-A302 PolarHBondContact NH1-O 3.35Å; V190-A302 HydrophobicContact CG1-CB 4.24Å; V190-A302 HydrophobicContact CG2-CB 3.84Å; C232-A302 HydrophobicContact CB-CB 3.91Å; I234-A302 HydrophobicContact CD1-CB 4.32Å; C298-A302 WeakPolarHBondContact O-CB 3.32Å; C298-A302 PolarHBondContact O-N 3.3Å; M299-A302 WeakPolarHBondContact O-CB 3.38Å; M299-A302 PolarHBondContact O-N 3.43Å; E300-A302 VanDerWaalsContact C-N 3.26Å; E300-A302 PolarHBondContact O-N 3.24Å; A302-Y312 HydrophobicContact CB-CD2 4.37Å; A302-Y312 HydrophobicContact CB-CE2 3.71Å
303	L	98.6	Very high	98	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-92.3	-28.8	177	-67.3	167	0	0	0	114.7	I54 V62 L79 W137 V140 R188 V190 M299 E300 H301	I54-L303 WeakPolarHBondContact CD1-O 3.22Å; V62-L303 HydrophobicContact CG1-CD1 3.89Å; V62-L303 HydrophobicContact CG1-CD2 4.14Å; V62-L303 HydrophobicContact CG2-CD1 4.44Å; V62-L303 HydrophobicContact CG2-CD2 4.3Å; L79-L303 HydrophobicContact CD1-CD1 3.7Å; L79-L303 HydrophobicContact CD2-CD1 3.87Å; L79-L303 HydrophobicContact CG-CD1 4.42Å; W137-L303 PolarHBondContact NE1-O 2.67Å; V140-L303 HydrophobicContact CG2-CD1 3.88Å; V140-L303 HydrophobicContact CG2-CD2 4.25Å; V140-L303 HydrophobicContact CG2-CG 4.42Å; R188-L303 VanDerWaalsContact CZ-C 3.49Å; R188-L303 PolarHBondContact NE-O 2.86Å; R188-L303 PolarHBondContact NH1-O 3.18Å; V190-L303 HydrophobicContact CG2-CD2 4.06Å; V190-L303 HydrophobicContact CG2-CG 4.28Å; M299-L303 WeakPolarHBondContact O-CG 3.41Å; M299-L303 PolarHBondContact O-N 3.48Å; E300-L303 CarbonylContact O-C 3.45Å; E300-L303 VanDerWaalsContact O-CA 3.3Å; E300-L303 WeakPolarHBondContact O-CA 3.43Å; E300-L303 WeakPolarHBondContact O-CB 3.46Å; E300-L303 PolarHBondContact O-N 2.8Å; H301-L303 PolarHBondContact O-N 3.32Å; H301-L303 VanDerWaalsContact O-N 3.16Å
304	T	98.4	Very high	97.9	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-104.1	-32.7	-174.4	62	0	0	0	0	114	E53 I54 L57 F84 E300 H301 A306	E53-T304 CarbonylContact C-O 3.54Å; E53-T304 WeakPolarHBondContact CA-O 3.45Å; E53-T304 WeakPolarHBondContact OE1-CB 3.19Å; E53-T304 PolarHBondContact OE1-OG1 3.28Å; I54-T304 WeakPolarHBondContact CG1-O 3.36Å; I54-T304 WeakPolarHBondContact CG2-O 3.13Å; I54-T304 PolarHBondContact N-O 3.07Å; L57-T304 HydrophobicContact CD1-CG2 4.32Å; L57-T304 HydrophobicContact CD2-CG2 4.41Å; F84-T304 HydrophobicContact CE2-CG2 3.79Å; F84-T304 HydrophobicContact CZ-CG2 3.87Å; E300-T304 HydrophobicContact CG-CG2 3.99Å; E300-T304 PolarHBondContact O-N 3.37Å; E300-T304 PolarHBondContact O-OG1 3.08Å; H301-T304 PolarHBondContact O-N 2.89Å; T304-A306 PolarHBondContact O-N 2.91Å
305	A	98.1	Very high	97.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-62.5	134.1	-172.1	0	0	0	0	0	112.5	L52 R188 H301 H307 P308	L52-A305 CarbonylContact O-C 3.45Å; L52-A305 WeakPolarHBondContact O-CA 3.34Å; R188-A305 PolarHBondContact NH1-O 3.07Å; R188-A305 PolarHBondContact NH2-O 3.42Å; H301-A305 WeakPolarHBondContact CE1-CB 3.41Å; H301-A305 WeakPolarHBondContact O-CB 3.32Å; H301-A305 PolarHBondContact O-N 3.09Å; A305-H307 PolarHBondContact O-N 3.17Å; A305-P308 WeakPolarHBondContact O-CD 3.35Å
306	A	97	Very high	97.6	Very high	39 Å²	39	31.8 Å²	31.8	32%	0.322	16%	0.163	S	C	.	.	S	Bend	trans	-59.7	-33.3	175.6	0	0	0	0	0	111.6	L52 T304	L52-A306 HydrophobicContact CB-CB 3.86Å; L52-A306 PolarHBondContact O-N 3.33Å; T304-A306 PolarHBondContact O-N 2.91Å
307	H	96.3	Very high	97.4	Very high	87 Å²	87	31.8 Å²	31.8	40%	0.403	16%	0.163	S	C	.	.	S	Bend	trans	-125.8	76.6	177.2	-60.2	-67	0	0	0	111.1	R49 A305	R49-H307 HydrophobicContact CG-CB 4.05Å; A305-H307 PolarHBondContact O-N 3.17Å
308	P	97.6	Very high	97.3	Very high	24 Å²	24	29.7 Å²	29.7	16%	0.156	15%	0.148	C	C	.	.			trans	-65.6	143.1	-176	29.5	-34.6	0	0	0	111.1	K230 A305 Y312	K230-P308 HydrophobicContact CB-CG 4.01Å; K230-P308 HydrophobicContact CG-CG 3.98Å; A305-P308 WeakPolarHBondContact O-CD 3.35Å; P308-Y312 WeakPolarHBondContact CA-OH 3.41Å
309	R	97.4	Very high	97.1	Very high	89 Å²	89	35 Å²	35	34%	0.336	17%	0.168	S	C	.	.			trans	-68.3	154.1	173	-49.4	175.3	-172.1	173.1	-2.4	110.4	D50 C232 Y312	D50-R309 VanDerWaalsContact CG-NH2 3.3Å; D50-R309 IonicContact OD1-CZ 3.47Å; D50-R309 IonicContact OD1-NE 3.36Å; D50-R309 PolarHBondContact OD1-NE 3.33Å; D50-R309 IonicContact OD1-NH2 3.45Å; D50-R309 PolarHBondContact OD1-NH2 2.9Å; D50-R309 IonicContact OD2-CZ 3.34Å; D50-R309 IonicContact OD2-NE 2.8Å; D50-R309 PolarHBondContact OD2-NE 3.48Å; D50-R309 IonicContact OD2-NH2 2.56Å; D50-R309 PolarHBondContact OD2-NH2 3.22Å; C232-R309 PolarHBondContact SG-O 3.33Å; R309-Y312 HydrophobicContact CB-CD2 4.39Å; R309-Y312 HydrophobicContact CB-CE1 4.05Å; R309-Y312 HydrophobicContact CB-CE2 3.82Å; R309-Y312 HydrophobicContact CG-CE1 4Å; R309-Y312 PolarHBondContact N-OH 3.21Å; R309-Y312 WeakPolarHBondContact O-CE2 3.26Å
310	T	97.3	Very high	97	Very high	55 Å²	55	41.3 Å²	41.3	34%	0.337	20%	0.201	S	C	.	.	S	Bend	trans	-73.1	-33.7	173.7	-54.9	0	0	0	0	112.1	I233	I233-T310 PolarHBondContact N-O 3.03Å
311	R	98.1	Very high	96.7	Very high	72 Å²	72	43.7 Å²	43.7	27%	0.272	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	142.1	-178	-69.7	-176.8	167.1	80.3	3.9	111.3	E214 D218 I233 E235	E214-R311 IonicContact OE2-CZ 3.6Å; E214-R311 IonicContact OE2-NE 2.67Å; E214-R311 PolarHBondContact OE2-NE 2.88Å; E214-R311 VanDerWaalsContact OE2-NE 3.09Å; E214-R311 IonicContact OE2-NH2 3.78Å; E214-R311 PolarHBondContact OE2-NH2 3.31Å; D218-R311 IonicContact OD1-NH1 3.28Å; D218-R311 IonicContact OD1-NH2 3.31Å; D218-R311 IonicContact OD2-CZ 3.66Å; D218-R311 IonicContact OD2-NH1 3.33Å; D218-R311 PolarHBondContact OD2-NH1 3.14Å; D218-R311 IonicContact OD2-NH2 2.96Å; D218-R311 PolarHBondContact OD2-NH2 3.48Å; I233-R311 HydrophobicContact CB-CG 4.27Å; I233-R311 HydrophobicContact CD1-CG 4.37Å; I233-R311 CarbonylContact O-C 3.57Å; I233-R311 WeakPolarHBondContact O-CA 3.42Å; E235-R311 IonicContact OE1-NE 3.07Å
312	Y	98.4	Very high	96.6	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.016	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	110.5	178.1	-66.2	-97.1	0	0	0	110.7	C232 I233 I234 E235 C298 H301 A302 P308 R309 A314	C232-Y312 HydrophobicContact CB-CE2 4.09Å; I233-Y312 PolarHBondContact O-N 3.31Å; I234-Y312 HydrophobicContact CD1-CD2 3.66Å; I234-Y312 HydrophobicContact CD1-CE2 4.49Å; I234-Y312 HydrophobicContact CD1-CG 3.89Å; E235-Y312 PolarHBondContact N-O 3.39Å; C298-Y312 HydrophobicContact CB-CD1 4.01Å; C298-Y312 HydrophobicContact CB-CG 4.1Å; H301-Y312 HydrophobicContact CB-CE1 4.19Å; H301-Y312 AromaticContact CG-CE1 3.94Å; H301-Y312 AromaticContact ND1-CE1 3.24Å; H301-Y312 WeakPolarHBondContact ND1-CE1 3.33Å; H301-Y312 AromaticContact ND1-CZ 3.47Å; H301-Y312 PolarHBondContact ND1-OH 3.32Å; A302-Y312 HydrophobicContact CB-CD2 4.37Å; A302-Y312 HydrophobicContact CB-CE2 3.71Å; P308-Y312 WeakPolarHBondContact CA-OH 3.41Å; R309-Y312 HydrophobicContact CB-CD2 4.39Å; R309-Y312 HydrophobicContact CB-CE1 4.05Å; R309-Y312 HydrophobicContact CB-CE2 3.82Å; R309-Y312 HydrophobicContact CG-CE1 4Å; R309-Y312 PolarHBondContact N-OH 3.21Å; R309-Y312 WeakPolarHBondContact O-CE2 3.26Å; Y312-A314 PolarHBondContact O-N 3.09Å
313	S	97.1	Very high	96.4	Very high	35 Å²	35	44.3 Å²	44.3	25%	0.245	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	103.5	179.5	-41.3	0	0	0	0	109.9	E235 K319 I323	E235-S313 PolarHBondContact OE2-OG 2.94Å; S313-K319 WeakPolarHBondContact O-CE 3.48Å; S313-I323 WeakPolarHBondContact OG-CD1 3.37Å
314	A	95.9	Very high	96.3	Very high	3 Å²	3	46.5 Å²	46.5	3%	0.025	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	127.5	-177.2	0	0	0	0	0	110.5	E235 G237 F239 V295 Y312 A318	E235-A314 PolarHBondContact O-N 3.48Å; G237-A314 PolarHBondContact N-O 3.2Å; F239-A314 WeakPolarHBondContact CE2-O 3.38Å; F239-A314 HydrophobicContact CZ-CB 4.48Å; V295-A314 HydrophobicContact CB-CB 4.3Å; V295-A314 HydrophobicContact CG2-CB 3.8Å; Y312-A314 PolarHBondContact O-N 3.09Å; A314-A318 WeakPolarHBondContact O-CB 3.25Å
315	G	95.8	Very high	96.1	Very high	9 Å²	9	48.5 Å²	48.5	9%	0.093	24%	0.241	C	C	.	.	S	Bend	trans	109.4	150.7	-175	0	0	0	0	0	112.4	K319	G315-K319 WeakPolarHBondContact O-CG 3.44Å; G315-K319 PolarHBondContact O-N 3.24Å
316	W	94.5	Very high	95.9	Very high	126 Å²	126	50 Å²	50	48%	0.477	25%	0.252	S	S	.	.	H	α-helix	trans	-70.5	-38.8	176.1	69	-90.8	0	0	0	110.5	V287 A318 K319 L320	V287-W316 HydrophobicContact CG1-CZ2 4.38Å; W316-A318 VanDerWaalsContact C-N 3.34Å; W316-K319 PolarHBondContact O-N 3.1Å; W316-L320 WeakPolarHBondContact O-CB 3.26Å; W316-L320 PolarHBondContact O-N 3.32Å
317	D	94.1	Very high	95.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.7	-38.8	177.6	65.6	-39.4	0	0	0	111	G237 F238 V287 L321 W322	G237-D317 WeakPolarHBondContact CA-OD2 3.41Å; F238-D317 WeakPolarHBondContact CD2-OD2 3.29Å; F238-D317 PolarHBondContact N-OD2 3.18Å; V287-D317 HydrophobicContact CG1-CB 3.89Å; D317-L321 CarbonylContact O-C 3.55Å; D317-L321 WeakPolarHBondContact O-CA 3.25Å; D317-L321 VanDerWaalsContact O-CB 3.29Å; D317-L321 WeakPolarHBondContact O-CB 3.39Å; D317-L321 PolarHBondContact O-N 3.14Å; D317-W322 PolarHBondContact O-N 3.05Å
318	A	95.6	Very high	95.8	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.271	C	S	.	.	I	π-helix	trans	-59.1	-49.5	172	0	0	0	0	0	111.8	V195 A314 W316 I323	V195-A318 HydrophobicContact CG1-CB 3.4Å; A314-A318 WeakPolarHBondContact O-CB 3.25Å; W316-A318 VanDerWaalsContact C-N 3.34Å; A318-I323 VanDerWaalsContact O-CB 3.24Å; A318-I323 WeakPolarHBondContact O-CB 3.44Å; A318-I323 WeakPolarHBondContact O-CD1 3.39Å; A318-I323 VanDerWaalsContact O-CG1 3.24Å; A318-I323 WeakPolarHBondContact O-CG1 3.41Å; A318-I323 PolarHBondContact O-N 3.4Å
319	K	95.1	Very high	95.8	Very high	136 Å²	136	58.7 Å²	58.7	59%	0.591	29%	0.285	S	S	*	.	I	π-helix	trans	-74.9	-38.7	-173.9	-68.2	177.3	-176.7	-178.7	0	113.7	S313 G315 W316 P324	S313-K319 WeakPolarHBondContact O-CE 3.48Å; G315-K319 WeakPolarHBondContact O-CG 3.44Å; G315-K319 PolarHBondContact O-N 3.24Å; W316-K319 PolarHBondContact O-N 3.1Å; K319-P324 WeakPolarHBondContact O-CD 3.44Å; K319-P324 WeakPolarHBondContact O-CG 3.24Å
320	L	95.1	Very high	95.6	Very high	133 Å²	133	58.8 Å²	58.8	70%	0.696	30%	0.299	S	S	*	.	I	π-helix	trans	-106.9	-16.8	-168.3	-58.5	179.7	0	0	0	113.8	W316	W316-L320 WeakPolarHBondContact O-CB 3.26Å; W316-L320 PolarHBondContact O-N 3.32Å
321	L	93.8	Very high	95.4	Very high	66 Å²	66	62.2 Å²	62.2	35%	0.346	31%	0.309	S	S	.	.	I	π-helix	trans	-120	-71.8	-176.8	-178.2	66.7	0	0	0	111.7	D317 P324 L325	D317-L321 CarbonylContact O-C 3.55Å; D317-L321 WeakPolarHBondContact O-CA 3.25Å; D317-L321 VanDerWaalsContact O-CB 3.29Å; D317-L321 WeakPolarHBondContact O-CB 3.39Å; D317-L321 PolarHBondContact O-N 3.14Å; L321-P324 WeakPolarHBondContact O-CD 3.49Å; L321-L325 HydrophobicContact CD1-CD1 3.7Å; L321-L325 HydrophobicContact CD1-CG 4.46Å; L321-L325 HydrophobicContact CG-CD1 4.03Å; L321-L325 VanDerWaalsContact O-CB 3.31Å; L321-L325 WeakPolarHBondContact O-CB 3.37Å; L321-L325 WeakPolarHBondContact O-CG 3.25Å; L321-L325 PolarHBondContact O-N 3.34Å
322	W	94.9	Very high	95.3	Very high	31 Å²	31	61.3 Å²	61.3	12%	0.117	31%	0.312	C	S	.	.	I	π-helix	trans	-71.5	-42	-164.8	-64.5	110.4	0	0	0	114.2	V195 V199 A201 F238 D317 L325 S326	V195-W322 HydrophobicContact CB-CB 3.65Å; V195-W322 HydrophobicContact CB-CG 4.15Å; V195-W322 HydrophobicContact CG1-CB 4.06Å; V195-W322 HydrophobicContact CG2-CB 3.96Å; V195-W322 HydrophobicContact CG2-CG 3.87Å; V199-W322 HydrophobicContact CG1-CB 4.14Å; V199-W322 HydrophobicContact CG1-CD2 4.49Å; V199-W322 HydrophobicContact CG1-CE3 3.72Å; A201-W322 HydrophobicContact CB-CH2 4.01Å; A201-W322 HydrophobicContact CB-CZ3 3.72Å; F238-W322 HydrophobicContact CD2-CZ2 4.47Å; F238-W322 AromaticContact CD2-NE1 3.64Å; F238-W322 AromaticContact CE2-CE2 3.58Å; F238-W322 AromaticContact CE2-CZ2 3.61Å; F238-W322 HydrophobicContact CE2-CZ2 3.61Å; F238-W322 AromaticContact CE2-NE1 3.43Å; F238-W322 HydrophobicContact CZ-CZ2 4.29Å; D317-W322 PolarHBondContact O-N 3.05Å; W322-L325 PolarHBondContact O-N 2.87Å; W322-S326 PolarHBondContact O-N 3.28Å
323	I	95.4	Very high	95	Very high	20 Å²	20	61.9 Å²	61.9	10%	0.103	32%	0.316	C	S	.	.	H	α-helix	trans	-70.5	-45.8	178.6	-65.4	172.3	0	0	0	111.1	V195 S313 A318 L325 S326 Y327	V195-I323 HydrophobicContact CG1-CG1 4.36Å; S313-I323 WeakPolarHBondContact OG-CD1 3.37Å; A318-I323 VanDerWaalsContact O-CB 3.24Å; A318-I323 WeakPolarHBondContact O-CB 3.44Å; A318-I323 WeakPolarHBondContact O-CD1 3.39Å; A318-I323 VanDerWaalsContact O-CG1 3.24Å; A318-I323 WeakPolarHBondContact O-CG1 3.41Å; A318-I323 PolarHBondContact O-N 3.4Å; I323-L325 VanDerWaalsContact C-N 3.29Å; I323-L325 PolarHBondContact O-N 3.4Å; I323-S326 WeakPolarHBondContact O-CB 3.23Å; I323-S326 PolarHBondContact O-N 2.83Å; I323-S326 PolarHBondContact O-OG 2.83Å; I323-Y327 HydrophobicContact CG2-CE2 3.9Å; I323-Y327 VanDerWaalsContact O-CD2 3.22Å; I323-Y327 WeakPolarHBondContact O-CD2 3.46Å
324	P	95.8	Very high	94.9	Very high	47 Å²	47	64.9 Å²	64.9	31%	0.305	33%	0.329	S	S	.	.	H	α-helix	trans	-54.3	-44.5	170.8	-29.2	36.9	0	0	0	113	K319 L321 S326 Y327	K319-P324 WeakPolarHBondContact O-CD 3.44Å; K319-P324 WeakPolarHBondContact O-CG 3.24Å; L321-P324 WeakPolarHBondContact O-CD 3.49Å; P324-S326 PolarHBondContact O-N 3.02Å; P324-Y327 PolarHBondContact O-N 2.91Å; P324-Y327 VanDerWaalsContact O-N 3.1Å
325	L	94.4	Very high	94.8	Very high	42 Å²	42	69.1 Å²	69.1	22%	0.22	35%	0.351	C	S	.	.	H	α-helix	trans	-60.4	-30.7	176.2	-77	174.7	0	0	0	113.2	L321 W322 I323 Y327 M328 V332 V333	L321-L325 HydrophobicContact CD1-CD1 3.7Å; L321-L325 HydrophobicContact CD1-CG 4.46Å; L321-L325 HydrophobicContact CG-CD1 4.03Å; L321-L325 VanDerWaalsContact O-CB 3.31Å; L321-L325 WeakPolarHBondContact O-CB 3.37Å; L321-L325 WeakPolarHBondContact O-CG 3.25Å; L321-L325 PolarHBondContact O-N 3.34Å; W322-L325 PolarHBondContact O-N 2.87Å; I323-L325 VanDerWaalsContact C-N 3.29Å; I323-L325 PolarHBondContact O-N 3.4Å; L325-Y327 PolarHBondContact O-N 2.91Å; L325-M328 HydrophobicContact CD2-CG 4.4Å; L325-M328 WeakPolarHBondContact O-CB 3.38Å; L325-M328 PolarHBondContact O-N 3.19Å; L325-M328 VanDerWaalsContact O-N 3.07Å; L325-V332 HydrophobicContact CD2-CG1 4.29Å; L325-V333 HydrophobicContact CB-CG2 4.2Å; L325-V333 HydrophobicContact CD2-CG2 4.39Å
326	S	95.3	Very high	94.5	Very high	32 Å²	32	70.4 Å²	70.4	22%	0.224	36%	0.363	C	S	.	.	H	α-helix	trans	-64.4	-17.8	176.7	76.6	0	0	0	0	114.5	R198 W322 I323 P324	R198-S326 WeakPolarHBondContact O-CB 3.34Å; W322-S326 PolarHBondContact O-N 3.28Å; I323-S326 WeakPolarHBondContact O-CB 3.23Å; I323-S326 PolarHBondContact O-N 2.83Å; I323-S326 PolarHBondContact O-OG 2.83Å; P324-S326 PolarHBondContact O-N 3.02Å
327	Y	95.8	Very high	94.3	Very high	167 Å²	167	66.4 Å²	66.4	66%	0.655	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-7.6	175.2	-62	-75.7	0	0	0	113.2	R198 I323 P324 L325	R198-Y327 PolarHBondContact NH2-OH 2.97Å; I323-Y327 HydrophobicContact CG2-CE2 3.9Å; I323-Y327 VanDerWaalsContact O-CD2 3.22Å; I323-Y327 WeakPolarHBondContact O-CD2 3.46Å; P324-Y327 PolarHBondContact O-N 2.91Å; P324-Y327 VanDerWaalsContact O-N 3.1Å; L325-Y327 PolarHBondContact O-N 2.91Å
328	M	95.1	Very high	94.1	Very high	95 Å²	95	72.3 Å²	72.3	47%	0.468	38%	0.377	S	S	.	.	S	Bend	trans	-77.6	156	177.9	-63.3	-63.3	138.5	0	0	110.4	L325 S330 V332	L325-M328 HydrophobicContact CD2-CG 4.4Å; L325-M328 WeakPolarHBondContact O-CB 3.38Å; L325-M328 PolarHBondContact O-N 3.19Å; L325-M328 VanDerWaalsContact O-N 3.07Å; M328-S330 PolarHBondContact O-N 2.98Å; M328-V332 HydrophobicContact CB-CB 4.21Å; M328-V332 HydrophobicContact CB-CG1 4.4Å; M328-V332 HydrophobicContact CB-CG2 4.47Å
329	P	96.1	Very high	93.8	Very high	71 Å²	71	78.7 Å²	78.7	46%	0.461	41%	0.41	S	S	.	.			trans	-54.2	140.9	169.8	-25.5	35.2	0	0	0	111.5	F331 V332	P329-F331 HydrophobicContact CB-CD1 3.5Å; P329-F331 VanDerWaalsContact CB-CD1 3.5Å; P329-F331 HydrophobicContact CB-CE1 3.33Å; P329-F331 HydrophobicContact CB-CZ 4.26Å; P329-F331 HydrophobicContact CG-CE1 3.89Å; P329-F331 PolarHBondContact O-N 3.42Å; P329-F331 VanDerWaalsContact O-N 3.07Å; P329-V332 HydrophobicContact CB-CG2 4.49Å; P329-V332 WeakPolarHBondContact O-CB 3.03Å; P329-V332 PolarHBondContact O-N 2.84Å
330	S	93.4	Very high	93.5	Very high	90 Å²	90	75.6 Å²	75.6	63%	0.629	40%	0.403	S	S	*	.	H	α-helix	trans	-52.4	-37.8	-174.4	-54.2	0	0	0	0	113.5	M328 V332 V333 D334	M328-S330 PolarHBondContact O-N 2.98Å; S330-V332 PolarHBondContact O-N 3.37Å; S330-V332 VanDerWaalsContact O-N 3.11Å; S330-V333 PolarHBondContact O-N 3.44Å; S330-D334 VanDerWaalsContact O-CG 3.22Å; S330-D334 PolarHBondContact O-N 3.11Å
331	F	94.7	Very high	93.3	Very high	127 Å²	127	72.3 Å²	72.3	56%	0.557	39%	0.386	S	S	*	.	H	α-helix	trans	-59.2	-27.7	-179.8	78.1	-98.3	0	0	0	113.5	P329 I335	P329-F331 HydrophobicContact CB-CD1 3.5Å; P329-F331 VanDerWaalsContact CB-CD1 3.5Å; P329-F331 HydrophobicContact CB-CE1 3.33Å; P329-F331 HydrophobicContact CB-CZ 4.26Å; P329-F331 HydrophobicContact CG-CE1 3.89Å; P329-F331 PolarHBondContact O-N 3.42Å; P329-F331 VanDerWaalsContact O-N 3.07Å; F331-I335 HydrophobicContact CD2-CD1 3.94Å; F331-I335 WeakPolarHBondContact O-CB 3.45Å; F331-I335 WeakPolarHBondContact O-CD1 3.32Å; F331-I335 WeakPolarHBondContact O-CG1 3.42Å; F331-I335 PolarHBondContact O-N 2.85Å
332	V	94.4	Very high	93.2	Very high	54 Å²	54	70 Å²	70	33%	0.327	38%	0.375	S	S	.	.	H	α-helix	trans	-67.4	-45.8	177.7	177.5	0	0	0	0	110.1	L325 M328 P329 S330 G336	L325-V332 HydrophobicContact CD2-CG1 4.29Å; M328-V332 HydrophobicContact CB-CB 4.21Å; M328-V332 HydrophobicContact CB-CG1 4.4Å; M328-V332 HydrophobicContact CB-CG2 4.47Å; P329-V332 HydrophobicContact CB-CG2 4.49Å; P329-V332 WeakPolarHBondContact O-CB 3.03Å; P329-V332 PolarHBondContact O-N 2.84Å; S330-V332 PolarHBondContact O-N 3.37Å; S330-V332 VanDerWaalsContact O-N 3.11Å; V332-G336 PolarHBondContact O-N 3.16Å; V332-G336 VanDerWaalsContact O-N 3.08Å
333	V	93.3	Very high	93	Very high	16 Å²	16	76.3 Å²	76.3	10%	0.097	40%	0.398	C	S	.	.	H	α-helix	trans	-66.2	-43.9	176.7	-177.6	0	0	0	0	110	V199 L325 S330 I335 G336 L337	V199-V333 HydrophobicContact CG2-CG1 3.83Å; V199-V333 HydrophobicContact CG2-CG2 4.23Å; L325-V333 HydrophobicContact CB-CG2 4.2Å; L325-V333 HydrophobicContact CD2-CG2 4.39Å; S330-V333 PolarHBondContact O-N 3.44Å; V333-I335 PolarHBondContact O-N 3.22Å; V333-G336 PolarHBondContact O-N 2.94Å; V333-L337 HydrophobicContact CG1-CD1 3.98Å; V333-L337 HydrophobicContact CG1-CG 4.31Å; V333-L337 WeakPolarHBondContact O-CG 3.31Å; V333-L337 PolarHBondContact O-N 2.92Å
334	D	93.6	Very high	92.9	Very high	97 Å²	97	77.4 Å²	77.4	52%	0.519	41%	0.407	S	S	.	.	H	α-helix	trans	-60.9	-43.4	179.9	-62.3	-24.5	0	0	0	112	S330 L337 K338	S330-D334 VanDerWaalsContact O-CG 3.22Å; S330-D334 PolarHBondContact O-N 3.11Å; D334-L337 PolarHBondContact O-N 3.09Å; D334-K338 WeakPolarHBondContact O-CB 3.34Å; D334-K338 PolarHBondContact O-N 3.1Å
335	I	93.8	Very high	92.7	Very high	93 Å²	93	78.7 Å²	78.7	48%	0.477	42%	0.417	S	S	.	.	H	α-helix	trans	-62.8	-46.8	174.8	-71.6	168.7	0	0	0	110.4	F331 V333 L337 K338 L339	F331-I335 HydrophobicContact CD2-CD1 3.94Å; F331-I335 WeakPolarHBondContact O-CB 3.45Å; F331-I335 WeakPolarHBondContact O-CD1 3.32Å; F331-I335 WeakPolarHBondContact O-CG1 3.42Å; F331-I335 PolarHBondContact O-N 2.85Å; V333-I335 PolarHBondContact O-N 3.22Å; I335-L337 PolarHBondContact O-N 3.46Å; I335-K338 PolarHBondContact O-N 2.96Å; I335-L339 HydrophobicContact CG2-CD1 3.95Å; I335-L339 HydrophobicContact CG2-CG 4.37Å; I335-L339 VanDerWaalsContact O-CG 3.31Å; I335-L339 WeakPolarHBondContact O-CG 3.49Å; I335-L339 PolarHBondContact O-N 3.46Å
336	G	90.7	Very high	92.5	Very high	35 Å²	35	83.9 Å²	83.9	36%	0.361	44%	0.438	S	S	.	.	H	α-helix	trans	-56.9	-48.1	178.2	0	0	0	0	0	112.3	V332 V333 L339 V340	V332-G336 PolarHBondContact O-N 3.16Å; V332-G336 VanDerWaalsContact O-N 3.08Å; V333-G336 PolarHBondContact O-N 2.94Å; G336-L339 PolarHBondContact O-N 2.93Å; G336-V340 WeakPolarHBondContact O-CG2 2.86Å; G336-V340 PolarHBondContact O-N 3.45Å
337	L	89.9	Confident	92.1	Very high	42 Å²	42	85.5 Å²	85.5	22%	0.22	45%	0.449	C	S	.	.	H	α-helix	trans	-65.8	-40	177.1	-65.9	175.9	0	0	0	112	A201 V333 D334 I335 L339 V340 L341	A201-L337 HydrophobicContact CB-CD1 4.26Å; A201-L337 HydrophobicContact CB-CD2 4.05Å; V333-L337 HydrophobicContact CG1-CD1 3.98Å; V333-L337 HydrophobicContact CG1-CG 4.31Å; V333-L337 WeakPolarHBondContact O-CG 3.31Å; V333-L337 PolarHBondContact O-N 2.92Å; D334-L337 PolarHBondContact O-N 3.09Å; I335-L337 PolarHBondContact O-N 3.46Å; L337-L339 VanDerWaalsContact C-N 3.29Å; L337-L339 PolarHBondContact O-N 3.27Å; L337-V340 PolarHBondContact O-N 3.33Å; L337-L341 HydrophobicContact CB-CD1 4.34Å; L337-L341 WeakPolarHBondContact O-CB 3.38Å; L337-L341 WeakPolarHBondContact O-CG 3.48Å; L337-L341 PolarHBondContact O-N 3.04Å
338	K	90.1	Very high	91.2	Very high	124 Å²	124	87.3 Å²	87.3	54%	0.539	48%	0.477	S	S	.	.	H	α-helix	trans	-64.8	-29.2	177.6	-175.6	174.5	-177.7	174.6	0	113.4	D334 I335	D334-K338 WeakPolarHBondContact O-CB 3.34Å; D334-K338 PolarHBondContact O-N 3.1Å; I335-K338 PolarHBondContact O-N 2.96Å
339	L	89.9	Confident	91	Very high	134 Å²	134	87 Å²	87	70%	0.702	48%	0.477	S	S	*	.	H	α-helix	trans	-76.4	-28	176.3	-71.9	172.5	0	0	0	112.5	I335 G336 L337	I335-L339 HydrophobicContact CG2-CD1 3.95Å; I335-L339 HydrophobicContact CG2-CG 4.37Å; I335-L339 VanDerWaalsContact O-CG 3.31Å; I335-L339 WeakPolarHBondContact O-CG 3.49Å; I335-L339 PolarHBondContact O-N 3.46Å; G336-L339 PolarHBondContact O-N 2.93Å; L337-L339 VanDerWaalsContact C-N 3.29Å; L337-L339 PolarHBondContact O-N 3.27Å
340	V	89	Confident	90.7	Very high	71 Å²	71	87.8 Å²	87.8	43%	0.43	48%	0.478	S	S	.	.	H	α-helix	trans	-94.4	-42.4	-175.4	175.9	0	0	0	0	112.1	I279 I283 G336 L337	I279-V340 VanDerWaalsContact CD1-O 3.26Å; I279-V340 WeakPolarHBondContact CD1-O 3.37Å; I279-V340 HydrophobicContact CG2-CG1 3.87Å; I279-V340 WeakPolarHBondContact CG2-O 3.4Å; I283-V340 HydrophobicContact CD1-CG1 3.6Å; I283-V340 HydrophobicContact CG1-CG1 4.28Å; G336-V340 WeakPolarHBondContact O-CG2 2.86Å; G336-V340 PolarHBondContact O-N 3.45Å; L337-V340 PolarHBondContact O-N 3.33Å
341	L	90.1	Very high	90.6	Very high	65 Å²	65	87.7 Å²	87.7	34%	0.34	47%	0.47	S	S	.	.	S	Bend	trans	-76.2	148.3	-176.6	-66.3	176	0	0	0	111.9	Y276 L337	Y276-L341 HydrophobicContact CE2-CD2 4.1Å; L337-L341 HydrophobicContact CB-CD1 4.34Å; L337-L341 WeakPolarHBondContact O-CB 3.38Å; L337-L341 WeakPolarHBondContact O-CG 3.48Å; L337-L341 PolarHBondContact O-N 3.04Å
342	P	91.4	Very high	90.3	Very high	18 Å²	18	85.4 Å²	85.4	12%	0.117	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-65.7	149.6	177.5	29.2	-32.1	0	0	0	110.6	Y272 N275 Y276 I279	Y272-P342 HydrophobicContact CD2-CB 4.14Å; Y272-P342 HydrophobicContact CD2-CG 4.14Å; Y272-P342 HydrophobicContact CE1-CG 4.26Å; Y272-P342 HydrophobicContact CE2-CB 4.01Å; Y272-P342 HydrophobicContact CE2-CG 3.74Å; Y272-P342 VanDerWaalsContact CE2-O 3.27Å; Y272-P342 WeakPolarHBondContact CE2-O 3.49Å; N275-P342 HydrophobicContact CB-CB 3.94Å; N275-P342 HydrophobicContact CB-CG 4.47Å; Y276-P342 HydrophobicContact CD2-CG 3.94Å; Y276-P342 HydrophobicContact CG-CG 4.41Å; I279-P342 HydrophobicContact CD1-CB 4.12Å; I279-P342 HydrophobicContact CD1-CG 4.18Å
343	R	91.8	Very high	90.1	Very high	163 Å²	163	87.3 Å²	87.3	62%	0.615	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-90.3	133.8	175.9	-66.9	-172.1	-178.1	-178	3	110.8
344	P	92.7	Very high	89.9	Confident	43 Å²	43	92.1 Å²	92.1	28%	0.279	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-57	149.2	168.4	-25.7	36.1	0	0	0	111.8	Y268 Y272 K346 S347	Y268-P344 HydrophobicContact CD1-CB 4.23Å; Y268-P344 HydrophobicContact CD1-CG 4.01Å; Y268-P344 HydrophobicContact CE1-CG 4.1Å; Y272-P344 HydrophobicContact CE2-CG 3.94Å; P344-K346 VanDerWaalsContact C-N 3.29Å; P344-K346 PolarHBondContact O-N 3.07Å; P344-S347 WeakPolarHBondContact O-CB 3.3Å; P344-S347 PolarHBondContact O-N 3.26Å; P344-S347 PolarHBondContact O-OG 3.35Å
345	S	91.8	Very high	89.6	Confident	74 Å²	74	91.7 Å²	91.7	52%	0.517	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-36	178.1	60.8	0	0	0	0	112.7	A266 S267 Y268 G269 S347	A266-S345 PolarHBondContact O-OG 3.31Å; A266-S345 VanDerWaalsContact O-OG 3.05Å; S267-S345 PolarHBondContact O-N 3.46Å; S267-S345 PolarHBondContact O-OG 3.24Å; Y268-S345 PolarHBondContact O-N 3.23Å; G269-S345 PolarHBondContact N-OG 3.19Å; S345-S347 PolarHBondContact O-N 3.28Å
346	K	89.9	Confident	89.3	Confident	151 Å²	151	91.6 Å²	91.6	66%	0.657	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	46.8	175.7	-61.4	-171.3	-175.2	177.6	0	112.3	S267 P344	S267-K346 PolarHBondContact O-N 3.48Å; S267-K346 VanDerWaalsContact O-N 3.09Å; P344-K346 VanDerWaalsContact C-N 3.29Å; P344-K346 PolarHBondContact O-N 3.07Å
347	S	86.4	Confident	89.2	Confident	65 Å²	65	96.3 Å²	96.3	46%	0.455	51%	0.51	S	S	.	.			trans	-87	152.7	174.8	48.7	0	0	0	0	112.3	P344 S345	P344-S347 WeakPolarHBondContact O-CB 3.3Å; P344-S347 PolarHBondContact O-N 3.26Å; P344-S347 PolarHBondContact O-OG 3.35Å; S345-S347 PolarHBondContact O-N 3.28Å
348	V	76.8	Confident	89.1	Confident	206 Å²	206	101.3 Å²	101.3	100%	1.248	54%	0.536	S	S	*	.			trans	-97.7	0	175.6	-175.5	0	0	0	0	111.1

Retrieved 348 of 348 residues in 1730.9 ms (Link to these results)

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