PARP6_HUMAN Loading...

Protein mono-ADP-ribosyltransferase PARP6

Mono-ADP-ribosyltransferase that mediates mono-ADP-ribosylation of target proteins.

AlphaFold DB , UniProt , Accession Q2NL67, Species HUMAN (Homo sapiens, Human), Gene PARP6, Length 630 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	40.1	Very low	32	Very low	240 Å²	240	165 Å²	165	100%	1.182	83%	0.827	S	S	*	*				0	86.2	0	-83.5	175.8	174.8	0	0	105.9
2	D	36.1	Very low	31.9	Very low	154 Å²	154	163.8 Å²	163.8	82%	0.824	83%	0.825	S	S	*	*			trans	-84.8	122.3	-178.3	-73.4	-42.6	0	0	0	109.5	K4	D2-K4 PolarHBondContact O-N 3.47Å
3	I	36.7	Very low	32.4	Very low	172 Å²	172	160.3 Å²	160.3	88%	0.882	83%	0.825	S	S	*	*			trans	-94.3	91.5	170.5	-63.6	174.7	0	0	0	106.4
4	K	31.6	Very low	32.3	Very low	198 Å²	198	162.9 Å²	162.9	86%	0.861	83%	0.832	S	S	*	*			trans	-84.8	111.2	165.5	-80.6	-176.9	173.6	-178.7	0	108.4	D2	D2-K4 PolarHBondContact O-N 3.47Å
5	G	33.9	Very low	32.4	Very low	68 Å²	68	156.5 Å²	156.5	70%	0.701	82%	0.823	S	S	*	*			trans	-104.3	92.4	172	0	0	0	0	0	111.1
6	Q	31.2	Very low	32.2	Very low	159 Å²	159	157 Å²	157	74%	0.743	83%	0.826	S	S	*	*			trans	35.6	99.1	148.3	-70.7	167.2	-12.3	0	0	119.1
7	F	25.3	Very low	32.4	Very low	199 Å²	199	157.2 Å²	157.2	87%	0.873	83%	0.828	S	S	*	*			trans	-71.5	130.1	146.1	-87.3	-108.6	0	0	0	108.7
8	W	28.1	Very low	32.3	Very low	202 Å²	202	158.1 Å²	158.1	77%	0.765	83%	0.827	S	S	*	*			trans	-97	99.9	163.5	-70.4	87.4	0	0	0	107.4
9	N	25.2	Very low	32.2	Very low	137 Å²	137	155.5 Å²	155.5	73%	0.733	82%	0.823	S	S	*	*			trans	-109.7	117.4	153.9	-86	-3.6	0	0	0	104.6
10	D	33.5	Very low	32.2	Very low	145 Å²	145	156.5 Å²	156.5	78%	0.775	82%	0.823	S	S	*	*			trans	-124.4	115.8	154.7	-84.4	-38.2	0	0	0	106.7
11	D	29.7	Very low	32.3	Very low	141 Å²	141	157.5 Å²	157.5	75%	0.754	82%	0.824	S	S	*	*			trans	-62	156.1	169.6	-83.4	-40.6	0	0	0	111.8
12	D	31.6	Very low	32	Very low	150 Å²	150	154 Å²	154	80%	0.802	80%	0.802	S	S	*	*			trans	56.4	108.4	144.4	-58.5	-22.6	0	0	0	120.3
13	S	38.6	Very low	31.6	Very low	119 Å²	119	153.6 Å²	153.6	83%	0.832	80%	0.799	S	S	*	*			trans	-147.5	93.1	138.5	-171	0	0	0	0	108.9	G15	S13-G15 PolarHBondContact O-N 3.49Å
14	E	30.7	Very low	31.9	Very low	197 Å²	197	155.3 Å²	155.3	92%	0.921	80%	0.796	S	S	*	*			trans	-56.5	121.6	157.7	-70.9	-167.1	154.1	0	0	108.5
15	G	33.7	Very low	31.7	Very low	67 Å²	67	148.9 Å²	148.9	69%	0.691	79%	0.786	S	S	*	*			trans	-144.7	73.1	176.6	0	0	0	0	0	108.4	S13 N17	S13-G15 PolarHBondContact O-N 3.49Å; G15-N17 PolarHBondContact O-N 2.81Å; G15-N17 VanDerWaalsContact O-N 3.16Å
16	D	29.8	Very low	31.7	Very low	164 Å²	164	151.4 Å²	151.4	88%	0.877	79%	0.787	S	S	*	*			trans	-56.3	111.5	156.7	-77.6	-29.8	0	0	0	107.8
17	N	35.2	Very low	31.6	Very low	160 Å²	160	153.3 Å²	153.3	86%	0.856	80%	0.796	S	S	*	*			trans	-148.6	121.6	147.9	-122.9	-1.7	0	0	0	110.5	G15	G15-N17 PolarHBondContact O-N 2.81Å; G15-N17 VanDerWaalsContact O-N 3.16Å
18	E	30.6	Very low	32	Very low	174 Å²	174	146.8 Å²	146.8	81%	0.813	79%	0.785	S	S	*	*			trans	-59.9	146.8	-179.4	-60.4	172.6	142.5	0	0	111.9
19	S	30.3	Very low	32.3	Very low	109 Å²	109	142.7 Å²	142.7	76%	0.762	79%	0.787	S	S	*	*			trans	64.2	76.7	145	-44.8	0	0	0	0	118.4
20	E	33.1	Very low	33	Very low	175 Å²	175	141.8 Å²	141.8	82%	0.818	79%	0.79	S	S	*	*			trans	-118.7	93.5	140.5	-72.9	-147.7	165.5	0	0	109.8	F22	E20-F22 PolarHBondContact O-N 3.08Å
21	E	32.5	Very low	33.6	Very low	178 Å²	178	139.1 Å²	139.1	83%	0.832	79%	0.788	S	S	*	*			trans	-56.6	85.3	166.1	-164.2	174.9	-156.4	0	0	108.9	L23	E21-L23 PolarHBondContact O-N 3.33Å
22	F	33.9	Very low	34.7	Very low	165 Å²	165	135.9 Å²	135.9	72%	0.724	78%	0.781	S	S	*	*			trans	-69	88.9	168.8	-108.7	-92.4	0	0	0	108.6	E20 Y24	E20-F22 PolarHBondContact O-N 3.08Å; F22-Y24 VanDerWaalsContact C-N 3.31Å; F22-Y24 PolarHBondContact O-N 2.82Å
23	L	29.3	Very low	35.9	Very low	147 Å²	147	134.4 Å²	134.4	77%	0.77	77%	0.773	S	S	*	*			trans	-53.7	89.2	164.9	-93.7	149	0	0	0	110.2	E21 G25	E21-L23 PolarHBondContact O-N 3.33Å; L23-G25 PolarHBondContact O-N 3.09Å
24	Y	41.5	Very low	37.1	Very low	207 Å²	207	132.2 Å²	132.2	81%	0.812	75%	0.752	S	S	*	*			trans	-74.7	67.2	150.9	-87.6	-79	0	0	0	109	F22 V26	F22-Y24 VanDerWaalsContact C-N 3.31Å; F22-Y24 PolarHBondContact O-N 2.82Å; Y24-V26 PolarHBondContact O-N 2.76Å
25	G	28	Very low	39.4	Very low	63 Å²	63	131.6 Å²	131.6	65%	0.649	74%	0.743	S	S	*	*			trans	-81.8	64.8	157.5	0	0	0	0	0	109.5	L23	L23-G25 PolarHBondContact O-N 3.09Å
26	V	34.3	Very low	41.9	Very low	121 Å²	121	131.6 Å²	131.6	73%	0.733	72%	0.722	S	S	*	*			trans	-107.3	101.7	158.8	-180	0	0	0	0	107.1	Y24 G28	Y24-V26 PolarHBondContact O-N 2.76Å; V26-G28 PolarHBondContact O-N 2.8Å
27	Q	28.7	Very low	44.8	Very low	199 Å²	199	125.8 Å²	125.8	93%	0.93	69%	0.689	S	S	*	*			trans	-57.5	75.6	168.7	-157.5	167.4	12.7	0	0	109.4
28	G	33.9	Very low	47.4	Very low	62 Å²	62	123 Å²	123	64%	0.639	68%	0.68	S	S	*	*			trans	-101	68.8	173.8	0	0	0	0	0	110.6	V26 C30	V26-G28 PolarHBondContact O-N 2.8Å; G28-C30 VanDerWaalsContact C-N 3.29Å; G28-C30 PolarHBondContact O-N 3.13Å
29	S	35.4	Very low	50.4	Low	116 Å²	116	116.6 Å²	116.6	81%	0.811	65%	0.65	S	S	*	*			trans	-66	83.7	168.1	152.9	0	0	0	0	109.8
30	C	39.3	Very low	53.4	Low	118 Å²	118	111.4 Å²	111.4	80%	0.797	61%	0.613	S	S	*	*			trans	174.7	61.2	150.3	-118.9	0	0	0	0	110.1	G28 A32	G28-C30 VanDerWaalsContact C-N 3.29Å; G28-C30 PolarHBondContact O-N 3.13Å; C30-A32 PolarHBondContact O-N 2.99Å
31	A	46.3	Very low	56.3	Low	89 Å²	89	106.2 Å²	106.2	74%	0.736	59%	0.591	S	S	*	*			trans	-71.4	91.9	147.9	0	0	0	0	0	104.3	D33	A31-D33 VanDerWaalsContact C-N 3.35Å; A31-D33 PolarHBondContact O-N 3.19Å
32	A	51.6	Low	59.2	Low	73 Å²	73	100.1 Å²	100.1	60%	0.603	57%	0.572	S	S	*	*			trans	-58.9	108.1	167.8	0	0	0	0	0	105.3	C30 L34	C30-A32 PolarHBondContact O-N 2.99Å; A32-L34 PolarHBondContact O-N 3.07Å
33	D	56.9	Low	62.1	Low	119 Å²	119	92.4 Å²	92.4	64%	0.636	54%	0.538	S	S	*	.			trans	-54.7	105.2	171.5	-70.6	-41.1	0	0	0	106.5	A31 Y35	A31-D33 VanDerWaalsContact C-N 3.35Å; A31-D33 PolarHBondContact O-N 3.19Å; D33-Y35 HydrophobicContact CB-CD2 4.49Å; D33-Y35 HydrophobicContact CB-CE2 3.9Å; D33-Y35 WeakPolarHBondContact O-CD2 3.02Å; D33-Y35 WeakPolarHBondContact O-CE2 3.24Å; D33-Y35 PolarHBondContact O-N 3.16Å
34	L	63.7	Low	65.2	Low	73 Å²	73	85.5 Å²	85.5	38%	0.382	50%	0.502	S	S	.	.			trans	-72.8	100.7	177.8	-71.1	172.7	0	0	0	106.8	A32 D65 L102	A32-L34 PolarHBondContact O-N 3.07Å; L34-D65 HydrophobicContact CD1-CB 3.73Å; L34-L102 HydrophobicContact CB-CD2 4.02Å; L34-L102 WeakPolarHBondContact O-CD2 3.37Å
35	Y	80.2	Confident	67.8	Low	184 Å²	184	80.7 Å²	80.7	72%	0.722	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-72.4	140.2	173.4	-68.5	-86.6	0	0	0	109.9	D33 H37	D33-Y35 HydrophobicContact CB-CD2 4.49Å; D33-Y35 HydrophobicContact CB-CE2 3.9Å; D33-Y35 WeakPolarHBondContact O-CD2 3.02Å; D33-Y35 WeakPolarHBondContact O-CE2 3.24Å; D33-Y35 PolarHBondContact O-N 3.16Å; Y35-H37 PolarHBondContact O-N 3.1Å
36	R	85.3	Confident	71.1	Confident	68 Å²	68	78.3 Å²	78.3	26%	0.257	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-57.4	134.4	173.2	-163.4	-173.5	-48.9	153.5	3.1	110	L40 D41 E60 L102	R36-L40 HydrophobicContact CG-CB 4.39Å; R36-L40 HydrophobicContact CG-CD2 3.77Å; R36-L40 HydrophobicContact CG-CG 4.21Å; R36-D41 VanDerWaalsContact CD-OD1 3.26Å; R36-D41 WeakPolarHBondContact CD-OD1 3.28Å; R36-D41 IonicContact CZ-OD1 3.94Å; R36-D41 IonicContact NE-OD1 3.35Å; R36-D41 IonicContact NH1-OD1 3.62Å; R36-D41 PolarHBondContact NH1-OD1 3.46Å; R36-E60 IonicContact CZ-OE1 2.87Å; R36-E60 IonicContact NE-OE1 3.21Å; R36-E60 PolarHBondContact NE-OE1 3.42Å; R36-E60 IonicContact NH2-OE1 2.69Å; R36-E60 PolarHBondContact NH2-OE1 2.73Å; R36-L102 HydrophobicContact CB-CD1 4.05Å; R36-L102 HydrophobicContact CG-CD1 3.9Å
37	H	90.6	Very high	74	Confident	42 Å²	42	72.6 Å²	72.6	19%	0.194	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-59.5	130.3	-179.5	-172.5	-89.7	0	0	0	111.5	Y35 Q39 L40 D41 L102 S103 N147	Y35-H37 PolarHBondContact O-N 3.1Å; H37-Q39 VanDerWaalsContact C-N 3.27Å; H37-Q39 WeakPolarHBondContact ND1-CB 3.5Å; H37-Q39 PolarHBondContact ND1-N 2.8Å; H37-Q39 PolarHBondContact O-N 3.37Å; H37-Q39 VanDerWaalsContact O-N 3.12Å; H37-L40 HydrophobicContact CB-CB 4.46Å; H37-L40 WeakPolarHBondContact O-CA 3.46Å; H37-L40 VanDerWaalsContact O-CB 3.28Å; H37-L40 WeakPolarHBondContact O-CB 3.35Å; H37-L40 PolarHBondContact O-N 2.92Å; H37-D41 PolarHBondContact O-N 3.32Å; H37-L102 PolarHBondContact N-O 3.21Å; H37-S103 PolarHBondContact CD2-O 2.99Å; H37-S103 VanDerWaalsContact CD2-O 3.28Å; H37-N147 PolarHBondContact CE1-ND2 3.08Å; H37-N147 VanDerWaalsContact CE1-ND2 3.32Å
38	P	91.3	Very high	77.2	Confident	100 Å²	100	66.2 Å²	66.2	65%	0.649	40%	0.396	S	S	*	.	H	α-helix	trans	-58.7	-31.1	-173.7	-27.6	34.5	0	0	0	115.3	L40 D41 A42	P38-L40 VanDerWaalsContact C-N 3.31Å; P38-D41 PolarHBondContact O-N 3.43Å; P38-A42 PolarHBondContact O-N 3.14Å
39	Q	92.7	Very high	80.1	Confident	40 Å²	40	71.1 Å²	71.1	19%	0.187	40%	0.402	C	S	.	.	H	α-helix	trans	-69.3	-30.5	175.1	-174.3	61.4	54	0	0	112	H37 A42 D43 Y105 L106 L150	H37-Q39 VanDerWaalsContact C-N 3.27Å; H37-Q39 WeakPolarHBondContact ND1-CB 3.5Å; H37-Q39 PolarHBondContact ND1-N 2.8Å; H37-Q39 PolarHBondContact O-N 3.37Å; H37-Q39 VanDerWaalsContact O-N 3.12Å; Q39-A42 PolarHBondContact O-N 3.1Å; Q39-D43 PolarHBondContact NE2-OD1 3.18Å; Q39-D43 PolarHBondContact O-N 3.17Å; Q39-Y105 HydrophobicContact CB-CD1 4.1Å; Q39-Y105 HydrophobicContact CG-CD1 4.09Å; Q39-Y105 HydrophobicContact CG-CE1 4.15Å; Q39-L106 HydrophobicContact CG-CD1 3.9Å; Q39-L150 HydrophobicContact CG-CD1 4.12Å
40	L	93.5	Very high	82.9	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-68.3	-41.8	174.5	177.6	56.5	0	0	0	110.3	R36 H37 P38 A42 D43 I44 V67 I69 Y105 L268	R36-L40 HydrophobicContact CG-CB 4.39Å; R36-L40 HydrophobicContact CG-CD2 3.77Å; R36-L40 HydrophobicContact CG-CG 4.21Å; H37-L40 HydrophobicContact CB-CB 4.46Å; H37-L40 WeakPolarHBondContact O-CA 3.46Å; H37-L40 VanDerWaalsContact O-CB 3.28Å; H37-L40 WeakPolarHBondContact O-CB 3.35Å; H37-L40 PolarHBondContact O-N 2.92Å; P38-L40 VanDerWaalsContact C-N 3.31Å; L40-A42 VanDerWaalsContact C-N 3.34Å; L40-A42 PolarHBondContact O-N 3.45Å; L40-D43 PolarHBondContact O-N 3.11Å; L40-I44 HydrophobicContact CD1-CD1 3.94Å; L40-I44 HydrophobicContact CD1-CG1 4.13Å; L40-I44 HydrophobicContact CG-CD1 3.8Å; L40-I44 HydrophobicContact CG-CG1 4.45Å; L40-I44 WeakPolarHBondContact O-CB 3.44Å; L40-I44 WeakPolarHBondContact O-CD1 3.45Å; L40-I44 VanDerWaalsContact O-CG1 3.22Å; L40-I44 WeakPolarHBondContact O-CG1 3.41Å; L40-I44 PolarHBondContact O-N 2.97Å; L40-V67 HydrophobicContact CD2-CG1 3.75Å; L40-I69 HydrophobicContact CD1-CG1 4.39Å; L40-Y105 HydrophobicContact CB-CD1 3.71Å; L40-Y105 HydrophobicContact CB-CD2 4.15Å; L40-Y105 HydrophobicContact CB-CE1 4.19Å; L40-Y105 HydrophobicContact CB-CG 3.69Å; L40-Y105 HydrophobicContact CD1-CD1 4.48Å; L40-Y105 HydrophobicContact CD1-CD2 3.88Å; L40-Y105 HydrophobicContact CD1-CE1 4.3Å; L40-Y105 HydrophobicContact CD1-CE2 3.68Å; L40-Y105 HydrophobicContact CD1-CG 4.28Å; L40-Y105 HydrophobicContact CD2-CD2 4.44Å; L40-Y105 HydrophobicContact CG-CD2 4.37Å; L40-Y105 HydrophobicContact CG-CG 4.4Å; L40-L268 HydrophobicContact CD1-CD1 4.18Å
41	D	93.2	Very high	85.5	Confident	66 Å²	66	65.9 Å²	65.9	35%	0.353	35%	0.352	S	S	.	.	H	α-helix	trans	-59.5	-44	173.3	-81.3	-42.4	0	0	0	112.3	R36 H37 P38 D43 I44 E45	R36-D41 VanDerWaalsContact CD-OD1 3.26Å; R36-D41 WeakPolarHBondContact CD-OD1 3.28Å; R36-D41 IonicContact CZ-OD1 3.94Å; R36-D41 IonicContact NE-OD1 3.35Å; R36-D41 IonicContact NH1-OD1 3.62Å; R36-D41 PolarHBondContact NH1-OD1 3.46Å; H37-D41 PolarHBondContact O-N 3.32Å; P38-D41 PolarHBondContact O-N 3.43Å; D41-D43 VanDerWaalsContact C-N 3.34Å; D41-D43 PolarHBondContact O-N 2.88Å; D41-I44 PolarHBondContact O-N 3.07Å; D41-E45 WeakPolarHBondContact O-CB 3.37Å; D41-E45 PolarHBondContact O-N 3.3Å
42	A	93.4	Very high	87.7	Confident	51 Å²	51	63.9 Å²	63.9	42%	0.421	33%	0.333	S	S	.	.	H	α-helix	trans	-60.9	-42.6	176.5	0	0	0	0	0	112.3	P38 Q39 L40 E45 A46	P38-A42 PolarHBondContact O-N 3.14Å; Q39-A42 PolarHBondContact O-N 3.1Å; L40-A42 VanDerWaalsContact C-N 3.34Å; L40-A42 PolarHBondContact O-N 3.45Å; A42-E45 PolarHBondContact O-N 3.2Å; A42-A46 WeakPolarHBondContact O-CB 3.35Å; A42-A46 PolarHBondContact O-N 3.01Å
43	D	95.3	Very high	89.7	Confident	3 Å²	3	67.6 Å²	67.6	2%	0.016	34%	0.338	C	S	.	.	H	α-helix	trans	-68.9	-37.7	178.3	-80.6	30.1	0	0	0	112.3	Q39 L40 D41 V47 Y105 G266 F267 L268	Q39-D43 PolarHBondContact NE2-OD1 3.18Å; Q39-D43 PolarHBondContact O-N 3.17Å; L40-D43 PolarHBondContact O-N 3.11Å; D41-D43 VanDerWaalsContact C-N 3.34Å; D41-D43 PolarHBondContact O-N 2.88Å; D43-V47 WeakPolarHBondContact O-CG2 3.48Å; D43-V47 PolarHBondContact O-N 3.49Å; D43-V47 VanDerWaalsContact O-N 3.13Å; D43-Y105 HydrophobicContact CB-CE1 4.38Å; D43-Y105 PolarHBondContact OD2-OH 3.29Å; D43-G266 VanDerWaalsContact CG-CA 3.48Å; D43-G266 WeakPolarHBondContact OD1-CA 3.33Å; D43-G266 VanDerWaalsContact OD2-CA 3.27Å; D43-G266 WeakPolarHBondContact OD2-CA 3.38Å; D43-F267 PolarHBondContact OD2-N 3.08Å; D43-L268 HydrophobicContact CB-CB 4.44Å; D43-L268 HydrophobicContact CB-CD1 4.03Å; D43-L268 HydrophobicContact CB-CG 4.05Å
44	I	95.2	Very high	91.4	Very high	2 Å²	2	68.4 Å²	68.4	1%	0.01	34%	0.342	C	S	.	.	H	α-helix	trans	-63.8	-46.4	174.4	-72.8	165	0	0	0	110.2	L40 D41 A46 V47 K48 V56 I58 I69 L268	L40-I44 HydrophobicContact CD1-CD1 3.94Å; L40-I44 HydrophobicContact CD1-CG1 4.13Å; L40-I44 HydrophobicContact CG-CD1 3.8Å; L40-I44 HydrophobicContact CG-CG1 4.45Å; L40-I44 WeakPolarHBondContact O-CB 3.44Å; L40-I44 WeakPolarHBondContact O-CD1 3.45Å; L40-I44 VanDerWaalsContact O-CG1 3.22Å; L40-I44 WeakPolarHBondContact O-CG1 3.41Å; L40-I44 PolarHBondContact O-N 2.97Å; D41-I44 PolarHBondContact O-N 3.07Å; I44-A46 VanDerWaalsContact C-N 3.31Å; I44-A46 PolarHBondContact O-N 3.41Å; I44-V47 WeakPolarHBondContact O-CB 3.49Å; I44-V47 PolarHBondContact O-N 2.84Å; I44-V47 VanDerWaalsContact O-N 3.15Å; I44-K48 PolarHBondContact O-N 3.34Å; I44-K48 VanDerWaalsContact O-N 3.1Å; I44-V56 HydrophobicContact CG2-CG1 4.36Å; I44-I58 HydrophobicContact CD1-CD1 3.86Å; I44-I58 HydrophobicContact CD1-CG1 4.32Å; I44-I58 HydrophobicContact CG2-CD1 3.92Å; I44-I69 HydrophobicContact CD1-CD1 3.85Å; I44-I69 HydrophobicContact CG1-CD1 4.34Å; I44-L268 HydrophobicContact CG1-CD1 3.83Å
45	E	95.8	Very high	92.8	Very high	105 Å²	105	65.7 Å²	65.7	49%	0.491	33%	0.329	S	S	.	.	H	α-helix	trans	-65	-38.5	-179.7	-164.4	58.1	-152.3	0	0	111.3	D41 A42 V47 K48 E49	D41-E45 WeakPolarHBondContact O-CB 3.37Å; D41-E45 PolarHBondContact O-N 3.3Å; A42-E45 PolarHBondContact O-N 3.2Å; E45-V47 VanDerWaalsContact C-N 3.3Å; E45-V47 PolarHBondContact O-N 3.41Å; E45-K48 PolarHBondContact O-N 3.01Å; E45-K48 VanDerWaalsContact O-N 3.13Å; E45-K48 IonicContact OE2-NZ 3.55Å; E45-K48 PolarHBondContact OE2-NZ 3.05Å; E45-E49 PolarHBondContact O-N 3.48Å
46	A	95.6	Very high	93.6	Very high	14 Å²	14	57.6 Å²	57.6	12%	0.116	30%	0.299	C	S	.	.	H	α-helix	trans	-61.3	-36	173.2	0	0	0	0	0	112.8	A42 I44 I50 Y265 V269	A42-A46 WeakPolarHBondContact O-CB 3.35Å; A42-A46 PolarHBondContact O-N 3.01Å; I44-A46 VanDerWaalsContact C-N 3.31Å; I44-A46 PolarHBondContact O-N 3.41Å; A46-I50 WeakPolarHBondContact O-CB 3.41Å; A46-I50 WeakPolarHBondContact O-CD1 3.42Å; A46-I50 VanDerWaalsContact O-CG1 3.27Å; A46-I50 WeakPolarHBondContact O-CG1 3.3Å; A46-I50 PolarHBondContact O-N 2.93Å; A46-I50 VanDerWaalsContact O-N 3.15Å; A46-Y265 VanDerWaalsContact CB-O 3.3Å; A46-Y265 WeakPolarHBondContact CB-O 3.41Å; A46-V269 HydrophobicContact CB-CG2 4.07Å
47	V	96.2	Very high	94.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-64.2	-44.8	173	171.2	0	0	0	0	110.9	D43 I44 E45 I50 Y51 V56 L71 L268 V269 M272	D43-V47 WeakPolarHBondContact O-CG2 3.48Å; D43-V47 PolarHBondContact O-N 3.49Å; D43-V47 VanDerWaalsContact O-N 3.13Å; I44-V47 WeakPolarHBondContact O-CB 3.49Å; I44-V47 PolarHBondContact O-N 2.84Å; I44-V47 VanDerWaalsContact O-N 3.15Å; E45-V47 VanDerWaalsContact C-N 3.3Å; E45-V47 PolarHBondContact O-N 3.41Å; V47-I50 PolarHBondContact O-N 2.87Å; V47-Y51 HydrophobicContact CG1-CD2 4.38Å; V47-Y51 WeakPolarHBondContact O-CB 3.4Å; V47-Y51 PolarHBondContact O-N 3.16Å; V47-V56 HydrophobicContact CG1-CB 3.98Å; V47-V56 HydrophobicContact CG1-CG1 4.29Å; V47-L71 HydrophobicContact CG1-CD2 4.25Å; V47-L71 HydrophobicContact CG2-CD2 4.3Å; V47-L268 HydrophobicContact CG2-CB 3.67Å; V47-V269 HydrophobicContact CB-CG2 4.37Å; V47-V269 HydrophobicContact CG2-CG2 3.58Å; V47-M272 HydrophobicContact CG1-SD 3.58Å; V47-M272 VanDerWaalsContact CG1-SD 3.58Å; V47-M272 HydrophobicContact CG2-SD 4.17Å
48	K	96.1	Very high	94.3	Very high	66 Å²	66	57 Å²	57	29%	0.287	31%	0.305	S	S	.	.	H	α-helix	trans	-63.5	-41.7	179.4	-65.6	178.5	-173.4	166	0	112.3	I44 E45 S52 V56	I44-K48 PolarHBondContact O-N 3.34Å; I44-K48 VanDerWaalsContact O-N 3.1Å; E45-K48 PolarHBondContact O-N 3.01Å; E45-K48 VanDerWaalsContact O-N 3.13Å; E45-K48 IonicContact OE2-NZ 3.55Å; E45-K48 PolarHBondContact OE2-NZ 3.05Å; K48-S52 CarbonylContact O-C 3.41Å; K48-S52 WeakPolarHBondContact O-CA 3.49Å; K48-S52 PolarHBondContact O-N 3.49Å; K48-V56 HydrophobicContact CD-CG1 4.41Å; K48-V56 HydrophobicContact CG-CG1 3.6Å
49	E	95	Very high	94.4	Very high	165 Å²	165	55.8 Å²	55.8	77%	0.771	29%	0.287	S	S	*	.	H	α-helix	trans	-65.4	-40.5	179.4	-172.4	-177.9	179.6	0	0	112.2	E45	E45-E49 PolarHBondContact O-N 3.48Å
50	I	93.8	Very high	94.3	Very high	63 Å²	63	58.2 Å²	58.2	32%	0.323	30%	0.298	S	S	.	.	H	α-helix	trans	-83.8	-37.8	-173.9	-66.9	169.9	0	0	0	112.6	A46 V47 Y265 V269	A46-I50 WeakPolarHBondContact O-CB 3.41Å; A46-I50 WeakPolarHBondContact O-CD1 3.42Å; A46-I50 VanDerWaalsContact O-CG1 3.27Å; A46-I50 WeakPolarHBondContact O-CG1 3.3Å; A46-I50 PolarHBondContact O-N 2.93Å; A46-I50 VanDerWaalsContact O-N 3.15Å; V47-I50 PolarHBondContact O-N 2.87Å; I50-Y265 HydrophobicContact CD1-CD1 3.59Å; I50-Y265 HydrophobicContact CD1-CD2 4.21Å; I50-Y265 HydrophobicContact CD1-CE1 4.26Å; I50-Y265 HydrophobicContact CD1-CG 3.54Å; I50-V269 HydrophobicContact CD1-CG1 3.76Å; I50-V269 HydrophobicContact CD1-CG2 4.04Å
51	Y	93.3	Very high	94	Very high	60 Å²	60	62.8 Å²	62.8	24%	0.235	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-71.8	-173.3	-69.7	-81.1	0	0	0	111.9	V47 S55 V269 M272 K273 E276	V47-Y51 HydrophobicContact CG1-CD2 4.38Å; V47-Y51 WeakPolarHBondContact O-CB 3.4Å; V47-Y51 PolarHBondContact O-N 3.16Å; Y51-S55 WeakPolarHBondContact CB-OG 3.41Å; Y51-V269 HydrophobicContact CE2-CG1 4.44Å; Y51-M272 HydrophobicContact CD1-CE 4Å; Y51-M272 HydrophobicContact CD2-CE 3.75Å; Y51-M272 HydrophobicContact CD2-SD 3.73Å; Y51-M272 HydrophobicContact CE1-CE 4.13Å; Y51-M272 HydrophobicContact CE2-CB 3.84Å; Y51-M272 HydrophobicContact CE2-CE 3.86Å; Y51-M272 HydrophobicContact CE2-CG 4.39Å; Y51-M272 HydrophobicContact CE2-SD 3.72Å; Y51-M272 HydrophobicContact CG-CE 3.81Å; Y51-M272 HydrophobicContact CG-SD 4.37Å; Y51-K273 WeakPolarHBondContact OH-CG 3.36Å; Y51-E276 WeakPolarHBondContact CE1-OE1 3.38Å; Y51-E276 VanDerWaalsContact CE1-OE2 3.31Å; Y51-E276 WeakPolarHBondContact CE1-OE2 3.43Å; Y51-E276 PolarHBondContact OH-OE2 3.11Å
52	S	93	Very high	93.2	Very high	48 Å²	48	62 Å²	62	34%	0.336	32%	0.324	S	S	.	.			trans	179.6	163.8	171	66.3	0	0	0	0	109.5	K48 N54 S55	K48-S52 CarbonylContact O-C 3.41Å; K48-S52 WeakPolarHBondContact O-CA 3.49Å; K48-S52 PolarHBondContact O-N 3.49Å; S52-N54 PolarHBondContact O-N 3.19Å; S52-N54 PolarHBondContact OG-N 3.28Å; S52-S55 PolarHBondContact N-OG 3.32Å; S52-S55 WeakPolarHBondContact O-CB 3.27Å; S52-S55 PolarHBondContact O-N 3.21Å; S52-S55 PolarHBondContact OG-N 3.47Å; S52-S55 PolarHBondContact OG-OG 3.35Å
53	E	92.5	Very high	92.6	Very high	151 Å²	151	66.1 Å²	66.1	71%	0.706	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-57.6	-33.1	172.4	-67.6	-166.9	172	0	0	113.1	S55	E53-S55 VanDerWaalsContact C-N 3.28Å; E53-S55 PolarHBondContact O-N 3.09Å
54	N	93	Very high	92.2	Very high	136 Å²	136	71 Å²	71	73%	0.727	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-81.6	-4.7	-179.4	-64.8	-26.6	0	0	0	113.6	S52 V56 H72	S52-N54 PolarHBondContact O-N 3.19Å; S52-N54 PolarHBondContact OG-N 3.28Å; N54-V56 VanDerWaalsContact C-N 3.27Å; N54-V56 PolarHBondContact O-N 3.03Å; N54-H72 PolarHBondContact O-ND1 2.68Å
55	S	94.4	Very high	91.8	Very high	16 Å²	16	72.2 Å²	72.2	11%	0.112	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-79.6	-9.4	-178.7	-66.5	0	0	0	0	113.5	Y51 S52 E53 H72	Y51-S55 WeakPolarHBondContact CB-OG 3.41Å; S52-S55 PolarHBondContact N-OG 3.32Å; S52-S55 WeakPolarHBondContact O-CB 3.27Å; S52-S55 PolarHBondContact O-N 3.21Å; S52-S55 PolarHBondContact OG-N 3.47Å; S52-S55 PolarHBondContact OG-OG 3.35Å; E53-S55 VanDerWaalsContact C-N 3.28Å; E53-S55 PolarHBondContact O-N 3.09Å; S55-H72 PolarHBondContact O-N 3.3Å
56	V	96.1	Very high	91.6	Very high	13 Å²	13	70.2 Å²	70.2	8%	0.079	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	135.6	177.9	61.2	0	0	0	0	110	I44 V47 K48 N54 I58 I69 D70 L71	I44-V56 HydrophobicContact CG2-CG1 4.36Å; V47-V56 HydrophobicContact CG1-CB 3.98Å; V47-V56 HydrophobicContact CG1-CG1 4.29Å; K48-V56 HydrophobicContact CD-CG1 4.41Å; K48-V56 HydrophobicContact CG-CG1 3.6Å; N54-V56 VanDerWaalsContact C-N 3.27Å; N54-V56 PolarHBondContact O-N 3.03Å; V56-I58 HydrophobicContact CG2-CG1 4.42Å; V56-I69 HydrophobicContact CG2-CG2 3.82Å; V56-D70 CarbonylContact C-O 3.57Å; V56-D70 WeakPolarHBondContact CA-O 3.2Å; V56-L71 HydrophobicContact CB-CD2 4.41Å; V56-L71 HydrophobicContact CG2-CD2 4.09Å
57	S	95.4	Very high	91.5	Very high	42 Å²	42	69.6 Å²	69.6	29%	0.294	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146.3	167.3	63	0	0	0	0	110.5	D70	S57-D70 PolarHBondContact N-O 3.36Å; S57-D70 PolarHBondContact O-N 3.46Å; S57-D70 VanDerWaalsContact OG-CB 3.26Å; S57-D70 WeakPolarHBondContact OG-CB 3.3Å
58	I	94.6	Very high	91.4	Very high	56 Å²	56	69.7 Å²	69.7	29%	0.287	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	133.4	-168.2	-54.8	161	0	0	0	107.7	I44 V56 E60 V67 D68 I69	I44-I58 HydrophobicContact CD1-CD1 3.86Å; I44-I58 HydrophobicContact CD1-CG1 4.32Å; I44-I58 HydrophobicContact CG2-CD1 3.92Å; V56-I58 HydrophobicContact CG2-CG1 4.42Å; I58-E60 HydrophobicContact CG2-CG 3.97Å; I58-V67 HydrophobicContact CG2-CG2 3.82Å; I58-D68 WeakPolarHBondContact CA-O 3.43Å; I58-I69 HydrophobicContact CB-CD1 4.29Å; I58-I69 HydrophobicContact CG1-CD1 3.86Å; I58-I69 HydrophobicContact CG2-CD1 3.9Å
59	R	93.6	Very high	91.4	Very high	74 Å²	74	66.6 Å²	66.6	28%	0.279	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	118.9	167.4	-66.1	-175.8	-61.6	-74.4	-22.7	109.1	Y61 D68 D70 R97	R59-Y61 HydrophobicContact CB-CE2 4.36Å; R59-D68 HydrophobicContact CB-CB 4.18Å; R59-D68 IonicContact CZ-OD2 2.68Å; R59-D68 PolarHBondContact N-O 3.01Å; R59-D68 IonicContact NE-OD2 3.69Å; R59-D68 VanDerWaalsContact NH2-CB 3.35Å; R59-D68 IonicContact NH2-OD2 2.66Å; R59-D68 PolarHBondContact NH2-OD2 2.77Å; R59-D68 PolarHBondContact O-N 3.16Å; R59-D70 IonicContact CZ-OD1 3.96Å; R59-D70 IonicContact CZ-OD2 3.48Å; R59-D70 IonicContact NH1-OD1 2.7Å; R59-D70 IonicContact NH1-OD2 3.17Å; R59-D70 PolarHBondContact NH1-OD2 3.06Å; R59-D70 IonicContact NH2-OD1 3.75Å; R59-D70 PolarHBondContact NH2-OD1 3.29Å; R59-D70 IonicContact NH2-OD2 3.43Å; R59-D70 PolarHBondContact NH2-OD2 3.48Å; R59-R97 VanDerWaalsContact CZ-NH2 3.26Å; R59-R97 VanDerWaalsContact NH1-NH2 3.12Å
60	E	91.4	Very high	91.5	Very high	91 Å²	91	59 Å²	59	43%	0.425	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	138.8	-178.1	-61.9	179.4	157.4	0	0	110.8	R36 I58 V67 L102	R36-E60 IonicContact CZ-OE1 2.87Å; R36-E60 IonicContact NE-OE1 3.21Å; R36-E60 PolarHBondContact NE-OE1 3.42Å; R36-E60 IonicContact NH2-OE1 2.69Å; R36-E60 PolarHBondContact NH2-OE1 2.73Å; I58-E60 HydrophobicContact CG2-CG 3.97Å; E60-V67 HydrophobicContact CG-CG2 3.99Å; E60-L102 HydrophobicContact CG-CD1 4.19Å
61	Y	88.2	Confident	91.7	Very high	96 Å²	96	56 Å²	56	38%	0.376	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	70.7	176.5	-56.7	-79.8	0	0	0	108.8	R59 T63 I64 D65 D66 D68	R59-Y61 HydrophobicContact CB-CE2 4.36Å; Y61-T63 PolarHBondContact O-N 2.83Å; Y61-I64 WeakPolarHBondContact O-CG1 3.26Å; Y61-I64 PolarHBondContact O-N 3.46Å; Y61-D65 PolarHBondContact O-N 3Å; Y61-D66 HydrophobicContact CD2-CB 4.42Å; Y61-D66 PolarHBondContact N-O 3.22Å; Y61-D68 HydrophobicContact CE2-CB 4.23Å
62	G	74.8	Confident	91.8	Very high	49 Å²	49	55.4 Å²	55.4	51%	0.505	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-18.9	-171.6	0	0	0	0	0	115.5
63	T	81.8	Confident	91.9	Very high	139 Å²	139	53.1 Å²	53.1	85%	0.853	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-19.6	176.1	52.1	0	0	0	0	114.1	Y61	Y61-T63 PolarHBondContact O-N 2.83Å
64	I	85.9	Confident	91.8	Very high	104 Å²	104	50.6 Å²	50.6	53%	0.533	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.6	12.4	-175	57.7	167.3	0	0	0	113.5	Y61 D66	Y61-I64 WeakPolarHBondContact O-CG1 3.26Å; Y61-I64 PolarHBondContact O-N 3.46Å; I64-D66 HydrophobicContact CD1-CB 3.99Å; I64-D66 HydrophobicContact CG1-CB 4.01Å; I64-D66 PolarHBondContact O-N 3.2Å
65	D	87.9	Confident	91.5	Very high	28 Å²	28	44.1 Å²	44.1	15%	0.15	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	31.1	-177.4	-171.3	48.8	0	0	0	113.6	L34 Y61 S101 L102 S103	L34-D65 HydrophobicContact CD1-CB 3.73Å; Y61-D65 PolarHBondContact O-N 3Å; D65-S101 CarbonylContact O-C 3.44Å; D65-S101 WeakPolarHBondContact O-CA 3.37Å; D65-S101 PolarHBondContact OD2-OG 3.32Å; D65-L102 PolarHBondContact O-N 2.84Å; D65-L102 WeakPolarHBondContact OD1-CB 3.15Å; D65-S103 WeakPolarHBondContact OD1-CB 3.44Å; D65-S103 PolarHBondContact OD1-N 3Å; D65-S103 PolarHBondContact OD1-OG 2.83Å; D65-S103 PolarHBondContact OD2-OG 3.23Å
66	D	90.2	Very high	91.1	Very high	64 Å²	64	46.4 Å²	46.4	34%	0.342	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	147.6	179.7	-81.5	-19.1	0	0	0	112.2	Y61 I64 F100	Y61-D66 HydrophobicContact CD2-CB 4.42Å; Y61-D66 PolarHBondContact N-O 3.22Å; I64-D66 HydrophobicContact CD1-CB 3.99Å; I64-D66 HydrophobicContact CG1-CB 4.01Å; I64-D66 PolarHBondContact O-N 3.2Å; D66-F100 WeakPolarHBondContact CA-O 3.38Å
67	V	93.6	Very high	90.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	128.9	172.5	61.3	0	0	0	0	111.1	L40 I58 E60 I69 R99 F100 L102	L40-V67 HydrophobicContact CD2-CG1 3.75Å; I58-V67 HydrophobicContact CG2-CG2 3.82Å; E60-V67 HydrophobicContact CG-CG2 3.99Å; V67-I69 HydrophobicContact CG2-CD1 3.8Å; V67-I69 HydrophobicContact CG2-CG1 4.37Å; V67-R99 WeakPolarHBondContact O-CA 3.47Å; V67-F100 HydrophobicContact CG1-CB 3.94Å; V67-F100 PolarHBondContact N-O 2.96Å; V67-F100 PolarHBondContact O-N 3.16Å; V67-L102 HydrophobicContact CB-CD1 3.91Å; V67-L102 HydrophobicContact CG1-CD1 4.26Å; V67-L102 HydrophobicContact CG2-CD1 4.39Å
68	D	95.5	Very high	89.6	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.016	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	123	168.9	-83.9	5.7	0	0	0	109.4	I58 R59 Y61 R97 L98 R99	I58-D68 WeakPolarHBondContact CA-O 3.43Å; R59-D68 HydrophobicContact CB-CB 4.18Å; R59-D68 IonicContact CZ-OD2 2.68Å; R59-D68 PolarHBondContact N-O 3.01Å; R59-D68 IonicContact NE-OD2 3.69Å; R59-D68 VanDerWaalsContact NH2-CB 3.35Å; R59-D68 IonicContact NH2-OD2 2.66Å; R59-D68 PolarHBondContact NH2-OD2 2.77Å; R59-D68 PolarHBondContact O-N 3.16Å; Y61-D68 HydrophobicContact CE2-CB 4.23Å; D68-R97 WeakPolarHBondContact OD2-CD 3.46Å; D68-R97 IonicContact OD2-NE 2.83Å; D68-L98 WeakPolarHBondContact CA-O 3.2Å; D68-R99 WeakPolarHBondContact OD1-CD 3.28Å; D68-R99 WeakPolarHBondContact OD1-CG 3.41Å; D68-R99 IonicContact OD1-NE 3.42Å; D68-R99 PolarHBondContact OD1-NE 3.41Å; D68-R99 IonicContact OD2-NE 2.77Å
69	I	96.4	Very high	88.6	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	112	170.5	-54.5	-63	0	0	0	108.5	L40 I44 V56 I58 V67 L71 R97 L98 F100 L268	L40-I69 HydrophobicContact CD1-CG1 4.39Å; I44-I69 HydrophobicContact CD1-CD1 3.85Å; I44-I69 HydrophobicContact CG1-CD1 4.34Å; V56-I69 HydrophobicContact CG2-CG2 3.82Å; I58-I69 HydrophobicContact CB-CD1 4.29Å; I58-I69 HydrophobicContact CG1-CD1 3.86Å; I58-I69 HydrophobicContact CG2-CD1 3.9Å; V67-I69 HydrophobicContact CG2-CD1 3.8Å; V67-I69 HydrophobicContact CG2-CG1 4.37Å; I69-L71 HydrophobicContact CG2-CD2 3.88Å; I69-L71 HydrophobicContact CG2-CG 4.27Å; I69-R97 WeakPolarHBondContact O-CA 3.33Å; I69-L98 PolarHBondContact N-O 2.71Å; I69-L98 PolarHBondContact O-N 2.9Å; I69-F100 HydrophobicContact CB-CE2 4.35Å; I69-F100 HydrophobicContact CG1-CD2 4Å; I69-F100 HydrophobicContact CG1-CE2 4.17Å; I69-L268 HydrophobicContact CG2-CD1 4.1Å; I69-L268 HydrophobicContact CG2-CD2 4.42Å
70	D	97.2	Very high	87.7	Confident	6 Å²	6	55 Å²	55	3%	0.032	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	110.4	176.2	-75	6.4	0	0	0	108.7	V56 S57 R59 V95 L96 R97	V56-D70 CarbonylContact C-O 3.57Å; V56-D70 WeakPolarHBondContact CA-O 3.2Å; S57-D70 PolarHBondContact N-O 3.36Å; S57-D70 PolarHBondContact O-N 3.46Å; S57-D70 VanDerWaalsContact OG-CB 3.26Å; S57-D70 WeakPolarHBondContact OG-CB 3.3Å; R59-D70 IonicContact CZ-OD1 3.96Å; R59-D70 IonicContact CZ-OD2 3.48Å; R59-D70 IonicContact NH1-OD1 2.7Å; R59-D70 IonicContact NH1-OD2 3.17Å; R59-D70 PolarHBondContact NH1-OD2 3.06Å; R59-D70 IonicContact NH2-OD1 3.75Å; R59-D70 PolarHBondContact NH2-OD1 3.29Å; R59-D70 IonicContact NH2-OD2 3.43Å; R59-D70 PolarHBondContact NH2-OD2 3.48Å; D70-V95 HydrophobicContact CB-CG1 3.8Å; D70-L96 WeakPolarHBondContact CA-O 3.13Å; D70-R97 VanDerWaalsContact OD1-CB 3.25Å; D70-R97 WeakPolarHBondContact OD1-CB 3.42Å; D70-R97 WeakPolarHBondContact OD1-CD 3.19Å; D70-R97 WeakPolarHBondContact OD1-CG 3.33Å; D70-R97 IonicContact OD1-CZ 3.24Å; D70-R97 IonicContact OD1-NE 2.64Å; D70-R97 PolarHBondContact OD1-NE 3.02Å; D70-R97 IonicContact OD1-NH2 3.5Å; D70-R97 IonicContact OD2-CZ 2.75Å; D70-R97 IonicContact OD2-NE 3.35Å; D70-R97 PolarHBondContact OD2-NE 3.45Å; D70-R97 IonicContact OD2-NH2 3.07Å; D70-R97 PolarHBondContact OD2-NH2 3.47Å
71	L	97.2	Very high	86.6	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	124.4	175.2	-54.1	170.4	0	0	0	109.6	V47 V56 I69 V95 L96 L98 M272	V47-L71 HydrophobicContact CG1-CD2 4.25Å; V47-L71 HydrophobicContact CG2-CD2 4.3Å; V56-L71 HydrophobicContact CB-CD2 4.41Å; V56-L71 HydrophobicContact CG2-CD2 4.09Å; I69-L71 HydrophobicContact CG2-CD2 3.88Å; I69-L71 HydrophobicContact CG2-CG 4.27Å; L71-V95 WeakPolarHBondContact O-CA 3.39Å; L71-L96 HydrophobicContact CB-CB 4.25Å; L71-L96 PolarHBondContact N-O 3.35Å; L71-L96 PolarHBondContact O-N 3.41Å; L71-L98 HydrophobicContact CD1-CD1 3.58Å; L71-L98 HydrophobicContact CG-CD1 4.38Å; L71-M272 HydrophobicContact CB-CG 4.14Å; L71-M272 HydrophobicContact CB-SD 4.19Å; L71-M272 HydrophobicContact CD1-CG 3.78Å; L71-M272 HydrophobicContact CD1-SD 4.48Å; L71-M272 HydrophobicContact CD2-CG 4.41Å; L71-M272 HydrophobicContact CD2-SD 4.04Å; L71-M272 HydrophobicContact CG-CG 4.34Å; L71-M272 HydrophobicContact CG-SD 4.47Å
72	H	96.3	Very high	85.7	Confident	47 Å²	47	54.5 Å²	54.5	22%	0.218	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	109.8	-177.1	-57.2	149.2	0	0	0	111	N54 S55 P93	N54-H72 PolarHBondContact O-ND1 2.68Å; S55-H72 PolarHBondContact O-N 3.3Å; H72-P93 HydrophobicContact CB-CB 3.98Å; H72-P93 HydrophobicContact CB-CG 4.18Å
73	I	93.9	Very high	85.7	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	118.7	177.3	-59.7	-179.5	0	0	0	109.7	I75 P93 I94 L96 M272 A275 E276 I279	I73-I75 HydrophobicContact CG2-CG2 4.38Å; I73-I75 PolarHBondContact O-N 3.26Å; I73-P93 VanDerWaalsContact O-CA 3.26Å; I73-P93 WeakPolarHBondContact O-CA 3.45Å; I73-P93 WeakPolarHBondContact O-CB 3.27Å; I73-I94 PolarHBondContact N-O 3.2Å; I73-I94 PolarHBondContact O-N 2.86Å; I73-L96 HydrophobicContact CD1-CD1 3.42Å; I73-L96 VanDerWaalsContact CD1-CD1 3.42Å; I73-L96 HydrophobicContact CD1-CD2 4.43Å; I73-L96 HydrophobicContact CD1-CG 3.84Å; I73-L96 HydrophobicContact CG1-CD1 4.31Å; I73-L96 HydrophobicContact CG1-CG 4.42Å; I73-M272 HydrophobicContact CG1-CE 4.42Å; I73-A275 HydrophobicContact CD1-CB 3.3Å; I73-E276 HydrophobicContact CG2-CG 4Å; I73-I279 HydrophobicContact CD1-CD1 4.21Å; I73-I279 HydrophobicContact CG2-CD1 3.84Å
74	N	91.2	Very high	85.5	Confident	98 Å²	98	50.6 Å²	50.6	52%	0.524	26%	0.264	S	S	.	.			trans	-75.8	120.9	175	-173.1	-36	0	0	0	110.2	S76 F77	N74-S76 WeakPolarHBondContact OD1-CB 3.42Å; N74-S76 PolarHBondContact OD1-N 3.12Å; N74-S76 PolarHBondContact OD1-OG 2.97Å; N74-F77 WeakPolarHBondContact O-CD1 3.49Å; N74-F77 WeakPolarHBondContact O-CE1 3.44Å
75	I	87.1	Confident	84.6	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	25%	0.246	C	C	.	.			trans	-108.7	18.1	-178.1	54.7	162.3	0	0	0	113.7	I73 F77 L78 V88 R90 I94 I279	I73-I75 HydrophobicContact CG2-CG2 4.38Å; I73-I75 PolarHBondContact O-N 3.26Å; I75-F77 HydrophobicContact CG2-CE1 4.39Å; I75-F77 HydrophobicContact CG2-CZ 4.36Å; I75-F77 PolarHBondContact O-N 3.45Å; I75-L78 HydrophobicContact CB-CD1 4.07Å; I75-L78 HydrophobicContact CB-CG 4.44Å; I75-L78 HydrophobicContact CG2-CD1 4.49Å; I75-L78 PolarHBondContact O-N 3.02Å; I75-V88 HydrophobicContact CD1-CB 4.38Å; I75-V88 HydrophobicContact CD1-CG1 3.16Å; I75-R90 PolarHBondContact O-NH1 3.1Å; I75-I94 HydrophobicContact CD1-CD1 4.35Å; I75-I94 HydrophobicContact CD1-CG1 4.08Å; I75-I94 HydrophobicContact CG2-CD1 3.58Å; I75-I94 HydrophobicContact CG2-CG1 3.87Å; I75-I279 HydrophobicContact CG2-CG2 4.46Å
76	S	84.9	Confident	84.1	Confident	64 Å²	64	45.7 Å²	45.7	45%	0.448	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-16.5	175.4	60	0	0	0	0	113.2	N74 L78 R90	N74-S76 WeakPolarHBondContact OD1-CB 3.42Å; N74-S76 PolarHBondContact OD1-N 3.12Å; N74-S76 PolarHBondContact OD1-OG 2.97Å; S76-L78 VanDerWaalsContact C-N 3.31Å; S76-L78 PolarHBondContact O-N 3.32Å; S76-R90 VanDerWaalsContact O-CZ 3.29Å; S76-R90 PolarHBondContact O-NH1 3.36Å; S76-R90 PolarHBondContact O-NH2 3.15Å
77	F	82.9	Confident	83.5	Confident	93 Å²	93	48.6 Å²	48.6	41%	0.408	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-18.1	174.3	64.3	-103	0	0	0	114.3	N74 I75 I279 P280	N74-F77 WeakPolarHBondContact O-CD1 3.49Å; N74-F77 WeakPolarHBondContact O-CE1 3.44Å; I75-F77 HydrophobicContact CG2-CE1 4.39Å; I75-F77 HydrophobicContact CG2-CZ 4.36Å; I75-F77 PolarHBondContact O-N 3.45Å; F77-I279 HydrophobicContact CE2-CG2 4.11Å; F77-I279 HydrophobicContact CZ-CB 4.29Å; F77-I279 HydrophobicContact CZ-CG2 3.77Å; F77-P280 HydrophobicContact CD2-CG 4.42Å; F77-P280 HydrophobicContact CE2-CB 4.37Å; F77-P280 HydrophobicContact CE2-CG 3.69Å; F77-P280 HydrophobicContact CZ-CG 4.26Å
78	L	78.3	Confident	83	Confident	10 Å²	10	49 Å²	49	5%	0.052	25%	0.252	C	S	.	.	S	Bend	trans	-66.2	159.2	178.5	-68.5	176.7	0	0	0	110.8	I75 S76 V82 W86 R90 I279	I75-L78 HydrophobicContact CB-CD1 4.07Å; I75-L78 HydrophobicContact CB-CG 4.44Å; I75-L78 HydrophobicContact CG2-CD1 4.49Å; I75-L78 PolarHBondContact O-N 3.02Å; S76-L78 VanDerWaalsContact C-N 3.31Å; S76-L78 PolarHBondContact O-N 3.32Å; L78-V82 HydrophobicContact CD2-CG1 4.39Å; L78-W86 HydrophobicContact CD1-CE3 4.01Å; L78-W86 HydrophobicContact CD1-CZ3 3.92Å; L78-W86 HydrophobicContact CD2-CH2 4.21Å; L78-W86 HydrophobicContact CD2-CZ3 3.72Å; L78-R90 VanDerWaalsContact C-NH1 3.33Å; L78-R90 PolarHBondContact O-NH1 3.13Å; L78-R90 PolarHBondContact O-NH2 3.49Å; L78-R90 VanDerWaalsContact O-NH2 3.07Å; L78-I279 HydrophobicContact CD1-CG2 4.36Å; L78-I279 HydrophobicContact CD2-CG2 4.32Å
79	D	73.5	Confident	82.6	Confident	114 Å²	114	52.2 Å²	52.2	61%	0.61	27%	0.27	S	S	*	.			trans	-82.2	154.8	170.8	-64.5	-43.8	0	0	0	110.9	E81 V82 S83	D79-E81 VanDerWaalsContact C-N 3.32Å; D79-E81 PolarHBondContact O-N 2.93Å; D79-V82 HydrophobicContact CB-CB 4.36Å; D79-V82 HydrophobicContact CB-CG2 4.02Å; D79-V82 PolarHBondContact O-N 3.09Å; D79-S83 WeakPolarHBondContact O-CB 3.48Å; D79-S83 PolarHBondContact O-N 2.81Å; D79-S83 PolarHBondContact O-OG 2.95Å
80	E	73.1	Confident	82.1	Confident	149 Å²	149	56.4 Å²	56.4	70%	0.696	29%	0.285	S	S	*	.	H	α-helix	trans	-60.5	-41.7	179.4	-172.7	175.2	176.9	0	0	112	V82 S83 T84	E80-V82 VanDerWaalsContact C-N 3.35Å; E80-V82 PolarHBondContact O-N 3.37Å; E80-S83 WeakPolarHBondContact CA-OG 3.42Å; E80-S83 PolarHBondContact O-N 2.97Å; E80-S83 PolarHBondContact O-OG 3.05Å; E80-T84 WeakPolarHBondContact O-CB 3.22Å; E80-T84 PolarHBondContact O-N 2.94Å; E80-T84 PolarHBondContact O-OG1 2.84Å
81	E	68.1	Low	81.7	Confident	148 Å²	148	62.3 Å²	62.3	69%	0.692	32%	0.322	S	S	*	.	H	α-helix	trans	-60.3	-44	175.9	-62.9	-176.9	178.6	0	0	111.9	D79 A85	D79-E81 VanDerWaalsContact C-N 3.32Å; D79-E81 PolarHBondContact O-N 2.93Å; E81-A85 WeakPolarHBondContact O-CB 3.45Å; E81-A85 PolarHBondContact O-N 3.35Å
82	V	70	Confident	81.4	Confident	28 Å²	28	64.3 Å²	64.3	17%	0.17	33%	0.331	C	S	.	.	H	α-helix	trans	-66	-46.9	178.6	177.4	0	0	0	0	110.2	L78 D79 E80 T84 A85 W86 L301	L78-V82 HydrophobicContact CD2-CG1 4.39Å; D79-V82 HydrophobicContact CB-CB 4.36Å; D79-V82 HydrophobicContact CB-CG2 4.02Å; D79-V82 PolarHBondContact O-N 3.09Å; E80-V82 VanDerWaalsContact C-N 3.35Å; E80-V82 PolarHBondContact O-N 3.37Å; V82-T84 VanDerWaalsContact C-N 3.32Å; V82-T84 PolarHBondContact O-N 3.16Å; V82-A85 PolarHBondContact O-N 3.32Å; V82-W86 HydrophobicContact CG1-CD2 3.58Å; V82-W86 HydrophobicContact CG1-CE3 3.78Å; V82-W86 HydrophobicContact CG1-CG 4.25Å; V82-W86 HydrophobicContact CG1-CH2 3.69Å; V82-W86 HydrophobicContact CG1-CZ2 3.44Å; V82-W86 VanDerWaalsContact CG1-CZ2 3.44Å; V82-W86 HydrophobicContact CG1-CZ3 3.85Å; V82-W86 WeakPolarHBondContact O-CB 3.41Å; V82-W86 VanDerWaalsContact O-CG 3.25Å; V82-W86 PolarHBondContact O-N 3.21Å; V82-L301 HydrophobicContact CG2-CD1 4Å
83	S	75.8	Confident	81.2	Confident	6 Å²	6	64.2 Å²	64.2	4%	0.042	34%	0.335	C	S	.	.	H	α-helix	trans	-61.8	-39.8	179.4	70.3	0	0	0	0	112.6	D79 E80 W86 K87 V88 R90	D79-S83 WeakPolarHBondContact O-CB 3.48Å; D79-S83 PolarHBondContact O-N 2.81Å; D79-S83 PolarHBondContact O-OG 2.95Å; E80-S83 WeakPolarHBondContact CA-OG 3.42Å; E80-S83 PolarHBondContact O-N 2.97Å; E80-S83 PolarHBondContact O-OG 3.05Å; S83-W86 PolarHBondContact O-N 3.28Å; S83-K87 PolarHBondContact O-N 2.96Å; S83-V88 PolarHBondContact O-N 2.74Å; S83-R90 VanDerWaalsContact CB-CG 3.4Å; S83-R90 WeakPolarHBondContact OG-CD 3.44Å; S83-R90 WeakPolarHBondContact OG-CG 3.43Å
84	T	75.8	Confident	81.2	Confident	100 Å²	100	64.2 Å²	64.2	61%	0.613	34%	0.335	S	S	*	.	H	α-helix	trans	-66.1	-45.4	176.7	-61.9	0	0	0	0	110.9	E80 V82 W86 K87	E80-T84 WeakPolarHBondContact O-CB 3.22Å; E80-T84 PolarHBondContact O-N 2.94Å; E80-T84 PolarHBondContact O-OG1 2.84Å; V82-T84 VanDerWaalsContact C-N 3.32Å; V82-T84 PolarHBondContact O-N 3.16Å; T84-W86 VanDerWaalsContact C-N 3.31Å; T84-W86 PolarHBondContact O-N 3.06Å; T84-K87 PolarHBondContact O-N 3.44Å
85	A	67.9	Low	81.4	Confident	18 Å²	18	59.8 Å²	59.8	15%	0.149	31%	0.311	C	S	.	.	H	α-helix	trans	-65.4	-34.7	178.4	0	0	0	0	0	113	E81 V82 K87 L301 K302	E81-A85 WeakPolarHBondContact O-CB 3.45Å; E81-A85 PolarHBondContact O-N 3.35Å; V82-A85 PolarHBondContact O-N 3.32Å; A85-K87 VanDerWaalsContact C-N 3.29Å; A85-L301 HydrophobicContact CB-CB 4.37Å; A85-L301 HydrophobicContact CB-CD1 4.38Å; A85-L301 HydrophobicContact CB-CD2 3.55Å; A85-L301 HydrophobicContact CB-CG 3.42Å; A85-L301 VanDerWaalsContact CB-CG 3.42Å; A85-K302 HydrophobicContact CB-CG 4.2Å
86	W	77.1	Confident	81.8	Confident	11 Å²	11	59.7 Å²	59.7	4%	0.042	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-4.3	177.4	-64.4	2	0	0	0	113.1	L78 V82 S83 T84 V88 L126 I279 N283 L301	L78-W86 HydrophobicContact CD1-CE3 4.01Å; L78-W86 HydrophobicContact CD1-CZ3 3.92Å; L78-W86 HydrophobicContact CD2-CH2 4.21Å; L78-W86 HydrophobicContact CD2-CZ3 3.72Å; V82-W86 HydrophobicContact CG1-CD2 3.58Å; V82-W86 HydrophobicContact CG1-CE3 3.78Å; V82-W86 HydrophobicContact CG1-CG 4.25Å; V82-W86 HydrophobicContact CG1-CH2 3.69Å; V82-W86 HydrophobicContact CG1-CZ2 3.44Å; V82-W86 VanDerWaalsContact CG1-CZ2 3.44Å; V82-W86 HydrophobicContact CG1-CZ3 3.85Å; V82-W86 WeakPolarHBondContact O-CB 3.41Å; V82-W86 VanDerWaalsContact O-CG 3.25Å; V82-W86 PolarHBondContact O-N 3.21Å; S83-W86 PolarHBondContact O-N 3.28Å; T84-W86 VanDerWaalsContact C-N 3.31Å; T84-W86 PolarHBondContact O-N 3.06Å; W86-V88 VanDerWaalsContact C-N 3.32Å; W86-V88 HydrophobicContact CB-CG2 3.61Å; W86-V88 WeakPolarHBondContact O-CG2 3.32Å; W86-V88 PolarHBondContact O-N 2.91Å; W86-L126 HydrophobicContact CB-CD2 4.37Å; W86-L126 HydrophobicContact CD2-CD1 4.26Å; W86-L126 HydrophobicContact CD2-CD2 3.99Å; W86-L126 HydrophobicContact CE3-CD1 4.29Å; W86-L126 HydrophobicContact CE3-CD2 3.38Å; W86-L126 HydrophobicContact CE3-CG 4.46Å; W86-L126 HydrophobicContact CG-CD2 4.43Å; W86-L126 HydrophobicContact CZ3-CD2 3.98Å; W86-I279 VanDerWaalsContact CH2-O 3.27Å; W86-I279 WeakPolarHBondContact CH2-O 3.21Å; W86-I279 HydrophobicContact CZ3-CG2 4.44Å; W86-I279 WeakPolarHBondContact CZ3-O 3.49Å; W86-N283 HydrophobicContact CZ2-CB 3.93Å; W86-L301 PolarHBondContact NE1-O 3.39Å
87	K	78.4	Confident	82.3	Confident	125 Å²	125	59 Å²	59	54%	0.543	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	44.6	-175.2	-56.3	176.2	-178	170.8	0	112.3	S83 T84 A85 N120	S83-K87 PolarHBondContact O-N 2.96Å; T84-K87 PolarHBondContact O-N 3.44Å; A85-K87 VanDerWaalsContact C-N 3.29Å; K87-N120 PolarHBondContact O-ND2 3.15Å
88	V	83.5	Confident	83	Confident	7 Å²	7	54.6 Å²	54.6	4%	0.042	28%	0.279	C	S	.	.			trans	-115.6	133.3	-177.5	-167.6	0	0	0	0	110.2	I75 S83 W86 F124 L126	I75-V88 HydrophobicContact CD1-CB 4.38Å; I75-V88 HydrophobicContact CD1-CG1 3.16Å; S83-V88 PolarHBondContact O-N 2.74Å; W86-V88 VanDerWaalsContact C-N 3.32Å; W86-V88 HydrophobicContact CB-CG2 3.61Å; W86-V88 WeakPolarHBondContact O-CG2 3.32Å; W86-V88 PolarHBondContact O-N 2.91Å; V88-F124 HydrophobicContact CG1-CE2 4.16Å; V88-F124 HydrophobicContact CG2-CD2 3.95Å; V88-F124 HydrophobicContact CG2-CE2 3.58Å; V88-L126 HydrophobicContact CG2-CD2 4.08Å
89	L	86.7	Confident	83.8	Confident	72 Å²	72	58.3 Å²	58.3	38%	0.377	29%	0.292	S	S	.	.			trans	-83.4	114	178	-60.4	175.9	0	0	0	110.3	T91 E92 Q117	L89-T91 PolarHBondContact O-N 3.47Å; L89-E92 HydrophobicContact CB-CB 4.4Å; L89-E92 PolarHBondContact O-N 3.34Å; L89-E92 VanDerWaalsContact O-O 3.06Å; L89-Q117 PolarHBondContact O-NE2 3.13Å
90	R	86	Confident	84.7	Confident	87 Å²	87	53.1 Å²	53.1	33%	0.328	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.4	-179.8	-63.2	175.9	46	64.6	-14.5	114.1	I75 S76 L78 S83 E92	I75-R90 PolarHBondContact O-NH1 3.1Å; S76-R90 VanDerWaalsContact O-CZ 3.29Å; S76-R90 PolarHBondContact O-NH1 3.36Å; S76-R90 PolarHBondContact O-NH2 3.15Å; L78-R90 VanDerWaalsContact C-NH1 3.33Å; L78-R90 PolarHBondContact O-NH1 3.13Å; L78-R90 PolarHBondContact O-NH2 3.49Å; L78-R90 VanDerWaalsContact O-NH2 3.07Å; S83-R90 VanDerWaalsContact CB-CG 3.4Å; S83-R90 WeakPolarHBondContact OG-CD 3.44Å; S83-R90 WeakPolarHBondContact OG-CG 3.43Å; R90-E92 VanDerWaalsContact C-N 3.29Å
91	T	88.5	Confident	85.7	Confident	131 Å²	131	46.4 Å²	46.4	80%	0.804	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-12.7	179.7	50.9	0	0	0	0	113	L89	L89-T91 PolarHBondContact O-N 3.47Å
92	E	90.6	Very high	86.7	Confident	42 Å²	42	39.5 Å²	39.5	20%	0.196	20%	0.202	C	C	.	.	S	Bend	trans	-121.6	139.9	-177.1	-66.8	-177.2	-164.8	0	0	110.9	L89 R90 Q117 S119	L89-E92 HydrophobicContact CB-CB 4.4Å; L89-E92 PolarHBondContact O-N 3.34Å; L89-E92 VanDerWaalsContact O-O 3.06Å; R90-E92 VanDerWaalsContact C-N 3.29Å; E92-Q117 PolarHBondContact O-NE2 3.23Å; E92-S119 VanDerWaalsContact CD-OG 3.22Å; E92-S119 WeakPolarHBondContact OE1-CB 3.49Å; E92-S119 PolarHBondContact OE1-OG 3.1Å; E92-S119 VanDerWaalsContact OE2-CB 3.27Å; E92-S119 WeakPolarHBondContact OE2-CB 3.41Å; E92-S119 PolarHBondContact OE2-N 2.92Å; E92-S119 VanDerWaalsContact OE2-N 3.1Å; E92-S119 PolarHBondContact OE2-OG 2.7Å
93	P	92.9	Very high	87.6	Confident	45 Å²	45	40 Å²	40	29%	0.292	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-68.9	155.7	175.8	30.8	-34.7	0	0	0	111.1	H72 I73	H72-P93 HydrophobicContact CB-CB 3.98Å; H72-P93 HydrophobicContact CB-CG 4.18Å; I73-P93 VanDerWaalsContact O-CA 3.26Å; I73-P93 WeakPolarHBondContact O-CA 3.45Å; I73-P93 WeakPolarHBondContact O-CB 3.27Å
94	I	93.5	Very high	88.3	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	125	161.4	-63.4	174.7	0	0	0	107	I73 I75 L96 V115 Q117 F124 L130 I279	I73-I94 PolarHBondContact N-O 3.2Å; I73-I94 PolarHBondContact O-N 2.86Å; I75-I94 HydrophobicContact CD1-CD1 4.35Å; I75-I94 HydrophobicContact CD1-CG1 4.08Å; I75-I94 HydrophobicContact CG2-CD1 3.58Å; I75-I94 HydrophobicContact CG2-CG1 3.87Å; I94-L96 HydrophobicContact CG2-CD2 4.14Å; I94-V115 HydrophobicContact CG2-CG1 3.59Å; I94-Q117 HydrophobicContact CG1-CG 4.49Å; I94-F124 HydrophobicContact CD1-CE2 4.46Å; I94-F124 HydrophobicContact CD1-CZ 3.84Å; I94-F124 HydrophobicContact CG1-CZ 4.05Å; I94-F124 HydrophobicContact CG2-CE1 4.24Å; I94-F124 HydrophobicContact CG2-CZ 4.27Å; I94-L130 HydrophobicContact CD1-CD2 4.47Å; I94-L130 HydrophobicContact CG2-CD2 4.16Å; I94-I279 HydrophobicContact CD1-CD1 4.22Å
95	V	94.9	Very high	89.1	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.024	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	121.8	177.7	-174.8	0	0	0	0	109	D70 L71 V115 F116 P118	D70-V95 HydrophobicContact CB-CG1 3.8Å; L71-V95 WeakPolarHBondContact O-CA 3.39Å; V95-V115 WeakPolarHBondContact O-CA 3.2Å; V95-F116 HydrophobicContact CB-CD2 4.28Å; V95-F116 HydrophobicContact CB-CE1 4.25Å; V95-F116 HydrophobicContact CB-CE2 3.86Å; V95-F116 HydrophobicContact CB-CZ 3.83Å; V95-F116 HydrophobicContact CG1-CE1 4.07Å; V95-F116 HydrophobicContact CG1-CE2 4.09Å; V95-F116 HydrophobicContact CG1-CZ 3.61Å; V95-F116 HydrophobicContact CG2-CE2 4.1Å; V95-F116 HydrophobicContact CG2-CZ 4.47Å; V95-F116 PolarHBondContact N-O 2.77Å; V95-F116 PolarHBondContact O-N 3.16Å; V95-P118 HydrophobicContact CG2-CG 4.11Å
96	L	95.9	Very high	90.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	106.5	167.9	-49.6	-176.1	0	0	0	108.6	D70 L71 I73 I94 E114 V115 L130 L134 I271 A275	D70-L96 WeakPolarHBondContact CA-O 3.13Å; L71-L96 HydrophobicContact CB-CB 4.25Å; L71-L96 PolarHBondContact N-O 3.35Å; L71-L96 PolarHBondContact O-N 3.41Å; I73-L96 HydrophobicContact CD1-CD1 3.42Å; I73-L96 VanDerWaalsContact CD1-CD1 3.42Å; I73-L96 HydrophobicContact CD1-CD2 4.43Å; I73-L96 HydrophobicContact CD1-CG 3.84Å; I73-L96 HydrophobicContact CG1-CD1 4.31Å; I73-L96 HydrophobicContact CG1-CG 4.42Å; I94-L96 HydrophobicContact CG2-CD2 4.14Å; L96-E114 WeakPolarHBondContact CA-O 3.49Å; L96-V115 HydrophobicContact CD2-CB 4.29Å; L96-V115 HydrophobicContact CD2-CG1 3.77Å; L96-V115 HydrophobicContact CD2-CG2 3.76Å; L96-L130 HydrophobicContact CD2-CD2 4.27Å; L96-L134 HydrophobicContact CD1-CD1 3.63Å; L96-L134 HydrophobicContact CD2-CD1 3.58Å; L96-L134 HydrophobicContact CG-CD1 4.24Å; L96-I271 HydrophobicContact CD1-CG2 4.09Å; L96-A275 HydrophobicContact CD1-CB 3.91Å
97	R	96	Very high	90.9	Very high	50 Å²	50	43 Å²	43	19%	0.189	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	115	177.4	174.3	171.6	-59.7	-174.9	-2.1	109.7	R59 D68 I69 D70 I113 E114 F116	R59-R97 VanDerWaalsContact CZ-NH2 3.26Å; R59-R97 VanDerWaalsContact NH1-NH2 3.12Å; D68-R97 WeakPolarHBondContact OD2-CD 3.46Å; D68-R97 IonicContact OD2-NE 2.83Å; I69-R97 WeakPolarHBondContact O-CA 3.33Å; D70-R97 VanDerWaalsContact OD1-CB 3.25Å; D70-R97 WeakPolarHBondContact OD1-CB 3.42Å; D70-R97 WeakPolarHBondContact OD1-CD 3.19Å; D70-R97 WeakPolarHBondContact OD1-CG 3.33Å; D70-R97 IonicContact OD1-CZ 3.24Å; D70-R97 IonicContact OD1-NE 2.64Å; D70-R97 PolarHBondContact OD1-NE 3.02Å; D70-R97 IonicContact OD1-NH2 3.5Å; D70-R97 IonicContact OD2-CZ 2.75Å; D70-R97 IonicContact OD2-NE 3.35Å; D70-R97 PolarHBondContact OD2-NE 3.45Å; D70-R97 IonicContact OD2-NH2 3.07Å; D70-R97 PolarHBondContact OD2-NH2 3.47Å; R97-I113 WeakPolarHBondContact O-CA 3.31Å; R97-E114 HydrophobicContact CB-CB 4.22Å; R97-E114 PolarHBondContact N-O 3.15Å; R97-E114 PolarHBondContact O-N 3.42Å; R97-F116 HydrophobicContact CB-CE1 4.01Å
98	L	96.5	Very high	91.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.9	176.6	-68	159.3	0	0	0	109.2	D68 I69 L71 F100 S112 I113 L268 I271	D68-L98 WeakPolarHBondContact CA-O 3.2Å; I69-L98 PolarHBondContact N-O 2.71Å; I69-L98 PolarHBondContact O-N 2.9Å; L71-L98 HydrophobicContact CD1-CD1 3.58Å; L71-L98 HydrophobicContact CG-CD1 4.38Å; L98-F100 HydrophobicContact CB-CD2 4.17Å; L98-F100 HydrophobicContact CB-CE2 3.36Å; L98-F100 HydrophobicContact CB-CZ 3.74Å; L98-F100 HydrophobicContact CD1-CE2 4.12Å; L98-F100 HydrophobicContact CD1-CZ 4.02Å; L98-F100 HydrophobicContact CD2-CZ 4.38Å; L98-F100 HydrophobicContact CG-CE2 4.29Å; L98-F100 HydrophobicContact CG-CZ 4.28Å; L98-S112 WeakPolarHBondContact CA-O 3.39Å; L98-I113 HydrophobicContact CD2-CB 4.08Å; L98-I113 HydrophobicContact CD2-CD1 3.96Å; L98-I113 HydrophobicContact CD2-CG1 4.16Å; L98-L268 HydrophobicContact CD1-CD2 3.86Å; L98-I271 HydrophobicContact CD1-CD1 3.74Å; L98-I271 HydrophobicContact CD2-CD1 4.01Å
99	R	95.2	Very high	91.9	Very high	87 Å²	87	41.9 Å²	41.9	33%	0.328	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122.3	174.6	-50.2	-154.9	173.2	119.3	17.3	110.6	V67 D68 P111 S112 E114	V67-R99 WeakPolarHBondContact O-CA 3.47Å; D68-R99 WeakPolarHBondContact OD1-CD 3.28Å; D68-R99 WeakPolarHBondContact OD1-CG 3.41Å; D68-R99 IonicContact OD1-NE 3.42Å; D68-R99 PolarHBondContact OD1-NE 3.41Å; D68-R99 IonicContact OD2-NE 2.77Å; R99-P111 WeakPolarHBondContact O-CA 3.46Å; R99-P111 WeakPolarHBondContact O-CB 3.45Å; R99-S112 WeakPolarHBondContact CB-OG 3.19Å; R99-S112 WeakPolarHBondContact CG-OG 3.39Å; R99-S112 PolarHBondContact N-O 2.79Å; R99-S112 PolarHBondContact O-N 2.64Å; R99-E114 IonicContact CZ-OE1 3.26Å; R99-E114 IonicContact NH1-OE1 2.85Å; R99-E114 IonicContact NH2-OE1 2.98Å; R99-E114 PolarHBondContact NH2-OE1 2.66Å; R99-E114 IonicContact NH2-OE2 3.32Å; R99-E114 PolarHBondContact NH2-OE2 3.38Å
100	F	93.4	Very high	92.1	Very high	5 Å²	5	43.1 Å²	43.1	2%	0.022	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	160.9	178.4	-58.9	-81.3	0	0	0	110.8	D66 V67 I69 L98 Y105 P111 W142 F267 L268	D66-F100 WeakPolarHBondContact CA-O 3.38Å; V67-F100 HydrophobicContact CG1-CB 3.94Å; V67-F100 PolarHBondContact N-O 2.96Å; V67-F100 PolarHBondContact O-N 3.16Å; I69-F100 HydrophobicContact CB-CE2 4.35Å; I69-F100 HydrophobicContact CG1-CD2 4Å; I69-F100 HydrophobicContact CG1-CE2 4.17Å; L98-F100 HydrophobicContact CB-CD2 4.17Å; L98-F100 HydrophobicContact CB-CE2 3.36Å; L98-F100 HydrophobicContact CB-CZ 3.74Å; L98-F100 HydrophobicContact CD1-CE2 4.12Å; L98-F100 HydrophobicContact CD1-CZ 4.02Å; L98-F100 HydrophobicContact CD2-CZ 4.38Å; L98-F100 HydrophobicContact CG-CE2 4.29Å; L98-F100 HydrophobicContact CG-CZ 4.28Å; F100-Y105 HydrophobicContact CB-CD2 4.28Å; F100-Y105 AromaticContact CD1-CD2 3.85Å; F100-Y105 HydrophobicContact CD1-CD2 3.85Å; F100-Y105 AromaticContact CD1-CE2 3.71Å; F100-Y105 HydrophobicContact CD1-CE2 3.71Å; F100-Y105 HydrophobicContact CD2-CE2 4.27Å; F100-Y105 HydrophobicContact CE1-CD2 4.3Å; F100-Y105 AromaticContact CE1-CE2 3.69Å; F100-Y105 HydrophobicContact CE1-CE2 3.69Å; F100-Y105 HydrophobicContact CE2-CE2 4.24Å; F100-Y105 HydrophobicContact CG-CD2 4Å; F100-Y105 HydrophobicContact CG-CE2 4Å; F100-Y105 AromaticContact CZ-CE2 3.98Å; F100-Y105 HydrophobicContact CZ-CE2 3.98Å; F100-P111 HydrophobicContact CD1-CB 3.53Å; F100-P111 HydrophobicContact CD1-CG 4.03Å; F100-P111 HydrophobicContact CE1-CB 3.42Å; F100-P111 VanDerWaalsContact CE1-CB 3.42Å; F100-P111 HydrophobicContact CE1-CG 3.54Å; F100-P111 HydrophobicContact CG-CB 4.3Å; F100-P111 HydrophobicContact CZ-CB 4.11Å; F100-P111 HydrophobicContact CZ-CG 4.33Å; F100-W142 AromaticContact CD1-CH2 3.64Å; F100-W142 HydrophobicContact CD1-CH2 3.64Å; F100-W142 HydrophobicContact CD1-CZ3 4.04Å; F100-W142 AromaticContact CE1-CH2 3.7Å; F100-W142 HydrophobicContact CE1-CH2 3.7Å; F100-W142 AromaticContact CE1-CZ3 3.58Å; F100-W142 HydrophobicContact CE1-CZ3 3.58Å; F100-F267 HydrophobicContact CE1-CD1 4.3Å; F100-F267 HydrophobicContact CE1-CE1 4.06Å; F100-F267 HydrophobicContact CZ-CD1 4.32Å; F100-F267 HydrophobicContact CZ-CE1 4.2Å; F100-L268 HydrophobicContact CE2-CD2 3.73Å; F100-L268 HydrophobicContact CZ-CD2 3.79Å
101	S	92.2	Very high	92.5	Very high	9 Å²	9	39.3 Å²	39.3	6%	0.063	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	133.8	159.2	160.2	0	0	0	0	109.3	D65 S103 Q104	D65-S101 CarbonylContact O-C 3.44Å; D65-S101 WeakPolarHBondContact O-CA 3.37Å; D65-S101 PolarHBondContact OD2-OG 3.32Å; S101-S103 PolarHBondContact OG-N 2.7Å; S101-Q104 WeakPolarHBondContact OG-CB 3.3Å; S101-Q104 PolarHBondContact OG-N 3.23Å
102	L	89.5	Confident	92.8	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.016	19%	0.193	C	C	.	.	S	Bend	trans	-64.6	-41	-179.8	-176.6	70.9	0	0	0	111	L34 R36 H37 E60 D65 V67	L34-L102 HydrophobicContact CB-CD2 4.02Å; L34-L102 WeakPolarHBondContact O-CD2 3.37Å; R36-L102 HydrophobicContact CB-CD1 4.05Å; R36-L102 HydrophobicContact CG-CD1 3.9Å; H37-L102 PolarHBondContact N-O 3.21Å; E60-L102 HydrophobicContact CG-CD1 4.19Å; D65-L102 PolarHBondContact O-N 2.84Å; D65-L102 WeakPolarHBondContact OD1-CB 3.15Å; V67-L102 HydrophobicContact CB-CD1 3.91Å; V67-L102 HydrophobicContact CG1-CD1 4.26Å; V67-L102 HydrophobicContact CG2-CD1 4.39Å
103	S	89.4	Confident	93	Very high	38 Å²	38	34.5 Å²	34.5	27%	0.266	19%	0.187	S	C	.	.	S	Bend	trans	-94.5	-25.6	-177.2	64.7	0	0	0	0	115	H37 D65 S101	H37-S103 PolarHBondContact CD2-O 2.99Å; H37-S103 VanDerWaalsContact CD2-O 3.28Å; D65-S103 WeakPolarHBondContact OD1-CB 3.44Å; D65-S103 PolarHBondContact OD1-N 3Å; D65-S103 PolarHBondContact OD1-OG 2.83Å; D65-S103 PolarHBondContact OD2-OG 3.23Å; S101-S103 PolarHBondContact OG-N 2.7Å
104	Q	90.7	Very high	93	Very high	102 Å²	102	35.1 Å²	35.1	48%	0.477	19%	0.186	S	C	.	.			trans	-113.4	45.1	-173.9	-59	175.2	51	0	0	112.9	S101 L106 D107 G108	S101-Q104 WeakPolarHBondContact OG-CB 3.3Å; S101-Q104 PolarHBondContact OG-N 3.23Å; Q104-L106 PolarHBondContact O-N 2.9Å; Q104-D107 PolarHBondContact O-N 3.46Å; Q104-G108 WeakPolarHBondContact O-CA 3.43Å; Q104-G108 PolarHBondContact O-N 3.01Å
105	Y	92.9	Very high	93	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	129.7	177.6	-174.7	-116.8	0	0	0	111.8	Q39 L40 D43 F100 D107 W142 N147	Q39-Y105 HydrophobicContact CB-CD1 4.1Å; Q39-Y105 HydrophobicContact CG-CD1 4.09Å; Q39-Y105 HydrophobicContact CG-CE1 4.15Å; L40-Y105 HydrophobicContact CB-CD1 3.71Å; L40-Y105 HydrophobicContact CB-CD2 4.15Å; L40-Y105 HydrophobicContact CB-CE1 4.19Å; L40-Y105 HydrophobicContact CB-CG 3.69Å; L40-Y105 HydrophobicContact CD1-CD1 4.48Å; L40-Y105 HydrophobicContact CD1-CD2 3.88Å; L40-Y105 HydrophobicContact CD1-CE1 4.3Å; L40-Y105 HydrophobicContact CD1-CE2 3.68Å; L40-Y105 HydrophobicContact CD1-CG 4.28Å; L40-Y105 HydrophobicContact CD2-CD2 4.44Å; L40-Y105 HydrophobicContact CG-CD2 4.37Å; L40-Y105 HydrophobicContact CG-CG 4.4Å; D43-Y105 HydrophobicContact CB-CE1 4.38Å; D43-Y105 PolarHBondContact OD2-OH 3.29Å; F100-Y105 HydrophobicContact CB-CD2 4.28Å; F100-Y105 AromaticContact CD1-CD2 3.85Å; F100-Y105 HydrophobicContact CD1-CD2 3.85Å; F100-Y105 AromaticContact CD1-CE2 3.71Å; F100-Y105 HydrophobicContact CD1-CE2 3.71Å; F100-Y105 HydrophobicContact CD2-CE2 4.27Å; F100-Y105 HydrophobicContact CE1-CD2 4.3Å; F100-Y105 AromaticContact CE1-CE2 3.69Å; F100-Y105 HydrophobicContact CE1-CE2 3.69Å; F100-Y105 HydrophobicContact CE2-CE2 4.24Å; F100-Y105 HydrophobicContact CG-CD2 4Å; F100-Y105 HydrophobicContact CG-CE2 4Å; F100-Y105 AromaticContact CZ-CE2 3.98Å; F100-Y105 HydrophobicContact CZ-CE2 3.98Å; Y105-D107 PolarHBondContact O-N 2.91Å; Y105-D107 VanDerWaalsContact O-N 3.09Å; Y105-W142 HydrophobicContact CD2-CH2 4.47Å; Y105-W142 HydrophobicContact CE2-CH2 4.5Å; Y105-N147 PolarHBondContact O-ND2 3.23Å
106	L	91.1	Very high	92.9	Very high	4 Å²	4	37 Å²	37	2%	0.021	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	-22.6	-175	-55.1	175.2	0	0	0	117.2	Q39 Q104 W142 L145 L150 F267	Q39-L106 HydrophobicContact CG-CD1 3.9Å; Q104-L106 PolarHBondContact O-N 2.9Å; L106-W142 HydrophobicContact CD2-CE3 4.28Å; L106-W142 HydrophobicContact CD2-CH2 3.96Å; L106-W142 HydrophobicContact CD2-CZ3 3.62Å; L106-L145 HydrophobicContact CD2-CB 4.47Å; L106-L145 HydrophobicContact CD2-CD1 4.4Å; L106-L150 HydrophobicContact CD1-CD1 3.32Å; L106-L150 HydrophobicContact CD1-CG 4.38Å; L106-F267 HydrophobicContact CD2-CB 4.18Å; L106-F267 HydrophobicContact CD2-CD1 4.31Å; L106-F267 HydrophobicContact CD2-CG 4.29Å
107	D	92	Very high	92.7	Very high	93 Å²	93	37 Å²	37	50%	0.497	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-10.3	177.5	-61.7	-33.4	0	0	0	112.8	Q104 Y105 S146 N147	Q104-D107 PolarHBondContact O-N 3.46Å; Y105-D107 PolarHBondContact O-N 2.91Å; Y105-D107 VanDerWaalsContact O-N 3.09Å; D107-S146 WeakPolarHBondContact OD1-CA 3.46Å; D107-S146 WeakPolarHBondContact OD1-CB 3.05Å; D107-N147 VanDerWaalsContact CG-ND2 3.33Å; D107-N147 PolarHBondContact OD1-N 2.96Å; D107-N147 WeakPolarHBondContact OD2-CB 3.25Å; D107-N147 PolarHBondContact OD2-ND2 2.86Å
108	G	89.4	Confident	92.3	Very high	15 Å²	15	37.7 Å²	37.7	16%	0.155	21%	0.207	C	C	.	.	S	Bend	trans	-91	-164.9	-179.2	0	0	0	0	0	114.8	Q104 W142	Q104-G108 WeakPolarHBondContact O-CA 3.43Å; Q104-G108 PolarHBondContact O-N 3.01Å; G108-W142 PolarHBondContact O-NE1 2.88Å
109	P	92	Very high	91.8	Very high	93 Å²	93	41.8 Å²	41.8	60%	0.604	24%	0.235	S	C	*	.	S	Bend	trans	-62.3	155.2	-178.9	27.5	-34.7	0	0	0	112.3
110	E	92.3	Very high	91.2	Very high	98 Å²	98	39.3 Å²	39.3	46%	0.458	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-59.4	132	176.8	-174.2	-174.5	146.3	0	0	110.7	S139 W142	E110-S139 WeakPolarHBondContact OE1-CA 3.47Å; E110-S139 WeakPolarHBondContact OE1-CB 3.42Å; E110-S139 PolarHBondContact OE1-OG 2.85Å; E110-W142 HydrophobicContact CG-CB 4.47Å; E110-W142 HydrophobicContact CG-CG 4.36Å
111	P	93.8	Very high	90.3	Very high	6 Å²	6	46.4 Å²	46.4	4%	0.039	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-71.4	143.1	-178.3	30.9	-38.7	0	0	0	112	R99 F100 T138 W142	R99-P111 WeakPolarHBondContact O-CA 3.46Å; R99-P111 WeakPolarHBondContact O-CB 3.45Å; F100-P111 HydrophobicContact CD1-CB 3.53Å; F100-P111 HydrophobicContact CD1-CG 4.03Å; F100-P111 HydrophobicContact CE1-CB 3.42Å; F100-P111 VanDerWaalsContact CE1-CB 3.42Å; F100-P111 HydrophobicContact CE1-CG 3.54Å; F100-P111 HydrophobicContact CG-CB 4.3Å; F100-P111 HydrophobicContact CZ-CB 4.11Å; F100-P111 HydrophobicContact CZ-CG 4.33Å; P111-T138 HydrophobicContact CG-CG2 3.48Å; P111-T138 VanDerWaalsContact CG-CG2 3.48Å; P111-W142 VanDerWaalsContact CD-CD2 3.45Å; P111-W142 HydrophobicContact CG-CD2 4.3Å; P111-W142 HydrophobicContact CG-CE3 3.94Å; P111-W142 HydrophobicContact CG-CH2 4.34Å; P111-W142 HydrophobicContact CG-CZ3 3.97Å
112	S	93.8	Very high	89.1	Confident	58 Å²	58	55.4 Å²	55.4	41%	0.406	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	145.7	168.9	68.9	0	0	0	0	110.7	L98 R99	L98-S112 WeakPolarHBondContact CA-O 3.39Å; R99-S112 WeakPolarHBondContact CB-OG 3.19Å; R99-S112 WeakPolarHBondContact CG-OG 3.39Å; R99-S112 PolarHBondContact N-O 2.79Å; R99-S112 PolarHBondContact O-N 2.64Å
113	I	95	Very high	88	Confident	14 Å²	14	56.9 Å²	56.9	7%	0.072	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130.1	177.6	-175	159.5	0	0	0	111.7	R97 L98 V115 K131 L134	R97-I113 WeakPolarHBondContact O-CA 3.31Å; L98-I113 HydrophobicContact CD2-CB 4.08Å; L98-I113 HydrophobicContact CD2-CD1 3.96Å; L98-I113 HydrophobicContact CD2-CG1 4.16Å; I113-V115 HydrophobicContact CG1-CG2 4.27Å; I113-K131 WeakPolarHBondContact O-CE 3.43Å; I113-L134 HydrophobicContact CD1-CB 3.44Å; I113-L134 VanDerWaalsContact CD1-CB 3.44Å; I113-L134 HydrophobicContact CD1-CD1 3.89Å; I113-L134 HydrophobicContact CD1-CG 4.32Å
114	E	93.6	Very high	87.2	Confident	59 Å²	59	55.5 Å²	55.5	28%	0.276	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	147.5	169.1	-67.1	174.6	-174.7	0	0	109.9	L96 R97 R99	L96-E114 WeakPolarHBondContact CA-O 3.49Å; R97-E114 HydrophobicContact CB-CB 4.22Å; R97-E114 PolarHBondContact N-O 3.15Å; R97-E114 PolarHBondContact O-N 3.42Å; R99-E114 IonicContact CZ-OE1 3.26Å; R99-E114 IonicContact NH1-OE1 2.85Å; R99-E114 IonicContact NH2-OE1 2.98Å; R99-E114 PolarHBondContact NH2-OE1 2.66Å; R99-E114 IonicContact NH2-OE2 3.32Å; R99-E114 PolarHBondContact NH2-OE2 3.38Å
115	V	93.9	Very high	86.3	Confident	16 Å²	16	51.3 Å²	51.3	10%	0.097	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	120.7	-178.2	-172.8	0	0	0	0	108.3	I94 V95 L96 I113 F124 L130 K131 L134	I94-V115 HydrophobicContact CG2-CG1 3.59Å; V95-V115 WeakPolarHBondContact O-CA 3.2Å; L96-V115 HydrophobicContact CD2-CB 4.29Å; L96-V115 HydrophobicContact CD2-CG1 3.77Å; L96-V115 HydrophobicContact CD2-CG2 3.76Å; I113-V115 HydrophobicContact CG1-CG2 4.27Å; V115-F124 HydrophobicContact CG1-CE1 3.73Å; V115-L130 HydrophobicContact CG1-CB 4.25Å; V115-L130 HydrophobicContact CG1-CD2 3.82Å; V115-L130 HydrophobicContact CG1-CG 4.19Å; V115-K131 HydrophobicContact CB-CB 4.15Å; V115-K131 HydrophobicContact CG2-CB 3.72Å; V115-K131 HydrophobicContact CG2-CG 4.43Å; V115-L134 HydrophobicContact CG2-CD1 4.48Å
116	F	92.7	Very high	85.7	Confident	26 Å²	26	51.4 Å²	51.4	11%	0.114	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	163.7	-178.2	60	-87.2	0	0	0	112	V95 R97	V95-F116 HydrophobicContact CB-CD2 4.28Å; V95-F116 HydrophobicContact CB-CE1 4.25Å; V95-F116 HydrophobicContact CB-CE2 3.86Å; V95-F116 HydrophobicContact CB-CZ 3.83Å; V95-F116 HydrophobicContact CG1-CE1 4.07Å; V95-F116 HydrophobicContact CG1-CE2 4.09Å; V95-F116 HydrophobicContact CG1-CZ 3.61Å; V95-F116 HydrophobicContact CG2-CE2 4.1Å; V95-F116 HydrophobicContact CG2-CZ 4.47Å; V95-F116 PolarHBondContact N-O 2.77Å; V95-F116 PolarHBondContact O-N 3.16Å; R97-F116 HydrophobicContact CB-CE1 4.01Å
117	Q	91.1	Very high	85.5	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-102.4	140.7	159.6	-72.1	-164.3	-64	0	0	109.5	L89 E92 I94 S119 N120 K121	L89-Q117 PolarHBondContact O-NE2 3.13Å; E92-Q117 PolarHBondContact O-NE2 3.23Å; I94-Q117 HydrophobicContact CG1-CG 4.49Å; Q117-S119 VanDerWaalsContact C-N 3.31Å; Q117-S119 PolarHBondContact O-N 3.49Å; Q117-N120 HydrophobicContact CB-CB 4.24Å; Q117-N120 CarbonylContact O-C 3.58Å; Q117-N120 PolarHBondContact O-N 3.19Å; Q117-N120 VanDerWaalsContact O-N 3.11Å; Q117-K121 PolarHBondContact O-N 2.78Å
118	P	87.7	Confident	85.3	Confident	66 Å²	66	51 Å²	51	43%	0.429	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-44.9	-177.6	-28.3	36.1	0	0	0	113.8	V95	V95-P118 HydrophobicContact CG2-CG 4.11Å
119	S	86.4	Confident	85.3	Confident	85 Å²	85	50.4 Å²	50.4	59%	0.594	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-8.3	-179.1	-58.2	0	0	0	0	114.4	E92 Q117	E92-S119 VanDerWaalsContact CD-OG 3.22Å; E92-S119 WeakPolarHBondContact OE1-CB 3.49Å; E92-S119 PolarHBondContact OE1-OG 3.1Å; E92-S119 VanDerWaalsContact OE2-CB 3.27Å; E92-S119 WeakPolarHBondContact OE2-CB 3.41Å; E92-S119 PolarHBondContact OE2-N 2.92Å; E92-S119 VanDerWaalsContact OE2-N 3.1Å; E92-S119 PolarHBondContact OE2-OG 2.7Å; Q117-S119 VanDerWaalsContact C-N 3.31Å; Q117-S119 PolarHBondContact O-N 3.49Å
120	N	81.5	Confident	85.3	Confident	36 Å²	36	46 Å²	46	19%	0.193	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-136.9	65.7	-176.3	-172.4	19	0	0	0	111.7	K87 Q117 G123 F124	K87-N120 PolarHBondContact O-ND2 3.15Å; Q117-N120 HydrophobicContact CB-CB 4.24Å; Q117-N120 CarbonylContact O-C 3.58Å; Q117-N120 PolarHBondContact O-N 3.19Å; Q117-N120 VanDerWaalsContact O-N 3.11Å; N120-G123 WeakPolarHBondContact OD1-CA 3.37Å; N120-G123 PolarHBondContact OD1-N 3.17Å; N120-F124 WeakPolarHBondContact O-CB 3.39Å
121	K	74.9	Confident	85.4	Confident	154 Å²	154	45.9 Å²	45.9	67%	0.67	25%	0.251	S	S	*	.	S	Bend	trans	-70.4	-36.7	-179.4	-67.5	-175	-180	178.5	0	113.3	Q117	Q117-K121 PolarHBondContact O-N 2.78Å
122	E	68.3	Low	85.3	Confident	197 Å²	197	49.1 Å²	49.1	92%	0.921	26%	0.264	S	S	*	.	S	Bend	trans	-97.7	-31.5	-172.8	-63.3	-172.5	169.8	0	0	113.8	F124	E122-F124 VanDerWaalsContact C-N 3.33Å; E122-F124 PolarHBondContact O-N 3.16Å
123	G	65.7	Low	85.3	Confident	35 Å²	35	46.8 Å²	46.8	36%	0.361	25%	0.247	S	C	.	.	S	Bend	trans	-87.3	4.3	-176.5	0	0	0	0	0	114.8	N120 G125	N120-G123 WeakPolarHBondContact OD1-CA 3.37Å; N120-G123 PolarHBondContact OD1-N 3.17Å; G123-G125 PolarHBondContact O-N 2.78Å; G123-G125 VanDerWaalsContact O-N 3.14Å
124	F	71.8	Confident	85.4	Confident	9 Å²	9	46.1 Å²	46.1	4%	0.039	24%	0.243	C	C	.	.			trans	-89.7	70.8	-174.7	-175.4	-133.6	0	0	0	112	V88 I94 V115 N120 E122 L126 G127	V88-F124 HydrophobicContact CG1-CE2 4.16Å; V88-F124 HydrophobicContact CG2-CD2 3.95Å; V88-F124 HydrophobicContact CG2-CE2 3.58Å; I94-F124 HydrophobicContact CD1-CE2 4.46Å; I94-F124 HydrophobicContact CD1-CZ 3.84Å; I94-F124 HydrophobicContact CG1-CZ 4.05Å; I94-F124 HydrophobicContact CG2-CE1 4.24Å; I94-F124 HydrophobicContact CG2-CZ 4.27Å; V115-F124 HydrophobicContact CG1-CE1 3.73Å; N120-F124 WeakPolarHBondContact O-CB 3.39Å; E122-F124 VanDerWaalsContact C-N 3.33Å; E122-F124 PolarHBondContact O-N 3.16Å; F124-L126 VanDerWaalsContact C-N 3.27Å; F124-L126 HydrophobicContact CD2-CB 4.19Å; F124-L126 HydrophobicContact CE2-CB 3.71Å; F124-L126 HydrophobicContact CE2-CD2 4.1Å; F124-L126 HydrophobicContact CE2-CG 4.35Å; F124-L126 HydrophobicContact CZ-CB 4.25Å; F124-L126 HydrophobicContact CZ-CD2 4.45Å; F124-L126 PolarHBondContact O-N 3.43Å; F124-G127 WeakPolarHBondContact O-CA 3.41Å; F124-G127 PolarHBondContact O-N 3.22Å
125	G	72.1	Confident	85.4	Confident	13 Å²	13	44 Å²	44	13%	0.134	24%	0.238	C	C	.	.	H	α-helix	trans	-54.2	-40.7	179.1	0	0	0	0	0	114.1	G123 G127 L128 G323 A324	G123-G125 PolarHBondContact O-N 2.78Å; G123-G125 VanDerWaalsContact O-N 3.14Å; G125-G127 PolarHBondContact O-N 3.41Å; G125-L128 WeakPolarHBondContact O-CB 3.22Å; G125-L128 PolarHBondContact O-N 3.28Å; G125-L128 VanDerWaalsContact O-N 3.16Å; G125-G323 WeakPolarHBondContact CA-O 3.2Å; G125-A324 WeakPolarHBondContact O-CA 3.09Å; G125-A324 WeakPolarHBondContact O-CB 3.12Å
126	L	79.8	Confident	85.4	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.016	25%	0.254	C	S	.	.	H	α-helix	trans	-60.1	-31	174.7	-171	75	0	0	0	112.3	W86 V88 F124 L128 Q129 L130 L282 P303	W86-L126 HydrophobicContact CB-CD2 4.37Å; W86-L126 HydrophobicContact CD2-CD1 4.26Å; W86-L126 HydrophobicContact CD2-CD2 3.99Å; W86-L126 HydrophobicContact CE3-CD1 4.29Å; W86-L126 HydrophobicContact CE3-CD2 3.38Å; W86-L126 HydrophobicContact CE3-CG 4.46Å; W86-L126 HydrophobicContact CG-CD2 4.43Å; W86-L126 HydrophobicContact CZ3-CD2 3.98Å; V88-L126 HydrophobicContact CG2-CD2 4.08Å; F124-L126 VanDerWaalsContact C-N 3.27Å; F124-L126 HydrophobicContact CD2-CB 4.19Å; F124-L126 HydrophobicContact CE2-CB 3.71Å; F124-L126 HydrophobicContact CE2-CD2 4.1Å; F124-L126 HydrophobicContact CE2-CG 4.35Å; F124-L126 HydrophobicContact CZ-CB 4.25Å; F124-L126 HydrophobicContact CZ-CD2 4.45Å; F124-L126 PolarHBondContact O-N 3.43Å; L126-L128 VanDerWaalsContact C-N 3.26Å; L126-L128 PolarHBondContact O-N 3.43Å; L126-Q129 WeakPolarHBondContact O-CB 3.47Å; L126-Q129 PolarHBondContact O-N 2.99Å; L126-Q129 VanDerWaalsContact O-N 3.08Å; L126-L130 PolarHBondContact O-N 3.48Å; L126-L282 HydrophobicContact CD1-CB 4.01Å; L126-L282 HydrophobicContact CD1-CD1 3.56Å; L126-L282 HydrophobicContact CD1-CG 4.43Å; L126-L282 HydrophobicContact CD2-CD1 4.07Å; L126-L282 HydrophobicContact CG-CD1 3.79Å; L126-P303 HydrophobicContact CD1-CG 3.65Å
127	G	87.3	Confident	85.5	Confident	3 Å²	3	46.7 Å²	46.7	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-59.4	-35.9	176.4	0	0	0	0	0	113.3	F124 G125 Q129 L130 K131	F124-G127 WeakPolarHBondContact O-CA 3.41Å; F124-G127 PolarHBondContact O-N 3.22Å; G125-G127 PolarHBondContact O-N 3.41Å; G127-Q129 VanDerWaalsContact C-N 3.35Å; G127-L130 PolarHBondContact O-N 2.78Å; G127-K131 WeakPolarHBondContact O-CB 3.22Å; G127-K131 PolarHBondContact O-N 3.07Å
128	L	88.5	Confident	85.7	Confident	86 Å²	86	46.7 Å²	46.7	45%	0.45	25%	0.251	S	S	.	.	H	α-helix	trans	-63.3	-42.7	174.5	-70.3	151.8	0	0	0	111.2	G125 L126 K132 M321 A324	G125-L128 WeakPolarHBondContact O-CB 3.22Å; G125-L128 PolarHBondContact O-N 3.28Å; G125-L128 VanDerWaalsContact O-N 3.16Å; L126-L128 VanDerWaalsContact C-N 3.26Å; L126-L128 PolarHBondContact O-N 3.43Å; L128-K132 WeakPolarHBondContact O-CB 3.48Å; L128-K132 PolarHBondContact O-N 3.18Å; L128-K132 VanDerWaalsContact O-N 3.08Å; L128-M321 HydrophobicContact CB-CE 4.14Å; L128-A324 HydrophobicContact CB-CB 4.25Å
129	Q	90	Very high	86	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.009	24%	0.239	C	C	.	.	H	α-helix	trans	-66.4	-48.7	178.2	-174.7	-175.5	9.4	0	0	110.9	L126 G127 K132 I133 L282 Y285 V287 M321 A324	L126-Q129 WeakPolarHBondContact O-CB 3.47Å; L126-Q129 PolarHBondContact O-N 2.99Å; L126-Q129 VanDerWaalsContact O-N 3.08Å; G127-Q129 VanDerWaalsContact C-N 3.35Å; Q129-K132 PolarHBondContact O-N 2.65Å; Q129-I133 HydrophobicContact CG-CD1 3.9Å; Q129-I133 WeakPolarHBondContact O-CG1 3.15Å; Q129-I133 PolarHBondContact O-N 3.28Å; Q129-L282 HydrophobicContact CG-CD2 4.31Å; Q129-L282 PolarHBondContact NE2-O 2.71Å; Q129-Y285 PolarHBondContact NE2-O 3.1Å; Q129-V287 HydrophobicContact CB-CG1 4.47Å; Q129-V287 HydrophobicContact CG-CB 4.38Å; Q129-V287 HydrophobicContact CG-CG1 4.2Å; Q129-M321 VanDerWaalsContact CA-CE 3.45Å; Q129-M321 HydrophobicContact CB-CE 3.92Å; Q129-A324 HydrophobicContact CB-CB 4.42Å
130	L	92.3	Very high	86.3	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.3	-42.5	179.9	-173.8	59.7	0	0	0	111.4	I94 L96 V115 L126 G127 K132 I133 L134 I279 L282	I94-L130 HydrophobicContact CD1-CD2 4.47Å; I94-L130 HydrophobicContact CG2-CD2 4.16Å; L96-L130 HydrophobicContact CD2-CD2 4.27Å; V115-L130 HydrophobicContact CG1-CB 4.25Å; V115-L130 HydrophobicContact CG1-CD2 3.82Å; V115-L130 HydrophobicContact CG1-CG 4.19Å; L126-L130 PolarHBondContact O-N 3.48Å; G127-L130 PolarHBondContact O-N 2.78Å; L130-K132 VanDerWaalsContact C-N 3.31Å; L130-K132 PolarHBondContact O-N 3.31Å; L130-I133 PolarHBondContact O-N 3.23Å; L130-L134 HydrophobicContact CD1-CD1 3.76Å; L130-L134 HydrophobicContact CD1-CD2 4.33Å; L130-L134 HydrophobicContact CD1-CG 3.8Å; L130-L134 HydrophobicContact CD2-CD1 4.36Å; L130-L134 HydrophobicContact CG-CD1 3.7Å; L130-L134 HydrophobicContact CG-CG 4.13Å; L130-L134 WeakPolarHBondContact O-CB 3.35Å; L130-L134 VanDerWaalsContact O-CG 3.3Å; L130-L134 WeakPolarHBondContact O-CG 3.39Å; L130-L134 PolarHBondContact O-N 3.35Å; L130-I279 HydrophobicContact CD1-CG1 4.19Å; L130-I279 HydrophobicContact CD2-CD1 4.1Å; L130-I279 HydrophobicContact CD2-CG1 3.89Å; L130-L282 HydrophobicContact CB-CD1 4.35Å; L130-L282 HydrophobicContact CD1-CD1 4.37Å
131	K	93.6	Very high	86.8	Confident	95 Å²	95	45.1 Å²	45.1	41%	0.413	23%	0.23	S	C	.	.	H	α-helix	trans	-55.3	-45.4	173.4	178.5	176.1	175.4	169.1	0	111.6	I113 V115 G127 G135	I113-K131 WeakPolarHBondContact O-CE 3.43Å; V115-K131 HydrophobicContact CB-CB 4.15Å; V115-K131 HydrophobicContact CG2-CB 3.72Å; V115-K131 HydrophobicContact CG2-CG 4.43Å; G127-K131 WeakPolarHBondContact O-CB 3.22Å; G127-K131 PolarHBondContact O-N 3.07Å; K131-G135 WeakPolarHBondContact O-CA 3.42Å; K131-G135 PolarHBondContact O-N 3.08Å
132	K	92.3	Very high	87.6	Confident	75 Å²	75	38.9 Å²	38.9	33%	0.326	20%	0.203	S	C	.	.	H	α-helix	trans	-63.8	-48.1	178.2	-177.4	177.7	-175.8	170.3	0	112.1	L128 Q129 L130 G135 M136 V288 M321	L128-K132 WeakPolarHBondContact O-CB 3.48Å; L128-K132 PolarHBondContact O-N 3.18Å; L128-K132 VanDerWaalsContact O-N 3.08Å; Q129-K132 PolarHBondContact O-N 2.65Å; L130-K132 VanDerWaalsContact C-N 3.31Å; L130-K132 PolarHBondContact O-N 3.31Å; K132-G135 PolarHBondContact O-N 2.93Å; K132-M136 HydrophobicContact CG-SD 4.25Å; K132-M136 WeakPolarHBondContact O-CG 3.28Å; K132-M136 PolarHBondContact O-N 3.14Å; K132-V288 PolarHBondContact NZ-O 2.64Å; K132-M321 HydrophobicContact CD-SD 4.33Å
133	I	93.7	Very high	88.7	Confident	8 Å²	8	36.9 Å²	36.9	4%	0.041	19%	0.191	C	C	.	.	H	α-helix	trans	-63.4	-48.7	-178.5	-70.8	166.6	0	0	0	110.6	Q129 L130 M136 F137 Y274 R278 L282 D290	Q129-I133 HydrophobicContact CG-CD1 3.9Å; Q129-I133 WeakPolarHBondContact O-CG1 3.15Å; Q129-I133 PolarHBondContact O-N 3.28Å; L130-I133 PolarHBondContact O-N 3.23Å; I133-M136 PolarHBondContact O-N 2.98Å; I133-F137 WeakPolarHBondContact O-CB 3.49Å; I133-F137 PolarHBondContact O-N 2.89Å; I133-Y274 HydrophobicContact CG2-CE1 3.92Å; I133-R278 HydrophobicContact CG2-CG 4.27Å; I133-L282 HydrophobicContact CD1-CD2 3.33Å; I133-D290 WeakPolarHBondContact CD1-OD1 3.27Å; I133-D290 HydrophobicContact CG1-CB 4.45Å
134	L	95.5	Very high	89.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-68.9	-37.1	179.9	-63.2	178.2	0	0	0	111.3	L96 I113 V115 L130 F137 T138 Y274 A275	L96-L134 HydrophobicContact CD1-CD1 3.63Å; L96-L134 HydrophobicContact CD2-CD1 3.58Å; L96-L134 HydrophobicContact CG-CD1 4.24Å; I113-L134 HydrophobicContact CD1-CB 3.44Å; I113-L134 VanDerWaalsContact CD1-CB 3.44Å; I113-L134 HydrophobicContact CD1-CD1 3.89Å; I113-L134 HydrophobicContact CD1-CG 4.32Å; V115-L134 HydrophobicContact CG2-CD1 4.48Å; L130-L134 HydrophobicContact CD1-CD1 3.76Å; L130-L134 HydrophobicContact CD1-CD2 4.33Å; L130-L134 HydrophobicContact CD1-CG 3.8Å; L130-L134 HydrophobicContact CD2-CD1 4.36Å; L130-L134 HydrophobicContact CG-CD1 3.7Å; L130-L134 HydrophobicContact CG-CG 4.13Å; L130-L134 WeakPolarHBondContact O-CB 3.35Å; L130-L134 VanDerWaalsContact O-CG 3.3Å; L130-L134 WeakPolarHBondContact O-CG 3.39Å; L130-L134 PolarHBondContact O-N 3.35Å; L134-F137 PolarHBondContact O-N 3.2Å; L134-T138 WeakPolarHBondContact O-CB 3.08Å; L134-T138 PolarHBondContact O-N 3.19Å; L134-T138 PolarHBondContact O-OG1 2.85Å; L134-Y274 HydrophobicContact CD2-CD1 3.81Å; L134-Y274 HydrophobicContact CD2-CE1 4.39Å; L134-A275 HydrophobicContact CD1-CB 4.08Å; L134-A275 HydrophobicContact CD2-CB 3.93Å
135	G	94.8	Very high	90.6	Very high	16 Å²	16	42.1 Å²	42.1	17%	0.165	21%	0.206	C	C	.	.	H	α-helix	trans	-57.2	-53.2	171.8	0	0	0	0	0	111.5	K131 K132 F137 T138 S139	K131-G135 WeakPolarHBondContact O-CA 3.42Å; K131-G135 PolarHBondContact O-N 3.08Å; K132-G135 PolarHBondContact O-N 2.93Å; G135-F137 VanDerWaalsContact C-N 3.31Å; G135-F137 PolarHBondContact O-N 3.37Å; G135-T138 PolarHBondContact O-N 3.48Å; G135-S139 PolarHBondContact O-N 2.94Å; G135-S139 PolarHBondContact O-OG 2.94Å
136	M	93.8	Very high	91.5	Very high	89 Å²	89	43.2 Å²	43.2	44%	0.438	21%	0.212	S	C	.	.	H	α-helix	trans	-59.1	-40.6	176.8	-71.8	176.3	61.1	0	0	113	K132 I133 Q140	K132-M136 HydrophobicContact CG-SD 4.25Å; K132-M136 WeakPolarHBondContact O-CG 3.28Å; K132-M136 PolarHBondContact O-N 3.14Å; I133-M136 PolarHBondContact O-N 2.98Å; M136-Q140 WeakPolarHBondContact O-CB 3.5Å; M136-Q140 WeakPolarHBondContact O-CG 3.16Å; M136-Q140 PolarHBondContact O-N 3.47Å; M136-Q140 VanDerWaalsContact O-N 3.1Å
137	F	95	Very high	91.9	Very high	8 Å²	8	43.6 Å²	43.6	4%	0.035	21%	0.214	C	C	.	.	H	α-helix	trans	-63.7	-51.1	177.1	173.5	-97.3	0	0	0	111.4	I133 L134 G135 S139 Q140 Q141 I260 Q270 I271 Y274	I133-F137 WeakPolarHBondContact O-CB 3.49Å; I133-F137 PolarHBondContact O-N 2.89Å; L134-F137 PolarHBondContact O-N 3.2Å; G135-F137 VanDerWaalsContact C-N 3.31Å; G135-F137 PolarHBondContact O-N 3.37Å; F137-S139 PolarHBondContact O-N 3.02Å; F137-Q140 PolarHBondContact O-N 3.25Å; F137-Q140 VanDerWaalsContact O-N 3.13Å; F137-Q141 HydrophobicContact CD1-CG 4.29Å; F137-Q141 HydrophobicContact CD2-CG 4.22Å; F137-Q141 HydrophobicContact CE1-CG 3.87Å; F137-Q141 HydrophobicContact CE2-CG 3.8Å; F137-Q141 HydrophobicContact CG-CG 4.45Å; F137-Q141 HydrophobicContact CZ-CG 3.61Å; F137-Q141 WeakPolarHBondContact O-CG 3.25Å; F137-Q141 PolarHBondContact O-N 3.26Å; F137-I260 HydrophobicContact CE2-CB 4.48Å; F137-I260 HydrophobicContact CE2-CG1 4.2Å; F137-I260 HydrophobicContact CE2-CG2 4.08Å; F137-I260 HydrophobicContact CZ-CG2 4.4Å; F137-Q270 HydrophobicContact CZ-CG 4.12Å; F137-I271 HydrophobicContact CD1-CG1 4.48Å; F137-I271 HydrophobicContact CE1-CG1 4.16Å; F137-Y274 HydrophobicContact CB-CD1 3.91Å; F137-Y274 HydrophobicContact CB-CE1 3.57Å; F137-Y274 AromaticContact CD1-CD1 3.77Å; F137-Y274 HydrophobicContact CD1-CD1 3.77Å; F137-Y274 HydrophobicContact CD1-CE1 4.29Å; F137-Y274 HydrophobicContact CD1-CG 4.31Å; F137-Y274 AromaticContact CD2-CD1 3.57Å; F137-Y274 HydrophobicContact CD2-CD1 3.57Å; F137-Y274 HydrophobicContact CD2-CD2 4.15Å; F137-Y274 AromaticContact CD2-CE1 3.5Å; F137-Y274 HydrophobicContact CD2-CE1 3.5Å; F137-Y274 VanDerWaalsContact CD2-CE1 3.5Å; F137-Y274 HydrophobicContact CD2-CE2 4.06Å; F137-Y274 AromaticContact CD2-CG 3.9Å; F137-Y274 HydrophobicContact CD2-CG 3.9Å; F137-Y274 AromaticContact CD2-CZ 3.75Å; F137-Y274 HydrophobicContact CE1-CD1 4.16Å; F137-Y274 HydrophobicContact CE1-CG 4.24Å; F137-Y274 AromaticContact CE2-CD1 3.97Å; F137-Y274 HydrophobicContact CE2-CD1 3.97Å; F137-Y274 AromaticContact CE2-CD2 3.95Å; F137-Y274 HydrophobicContact CE2-CD2 3.95Å; F137-Y274 HydrophobicContact CE2-CE1 4.25Å; F137-Y274 HydrophobicContact CE2-CE2 4.21Å; F137-Y274 AromaticContact CE2-CG 3.81Å; F137-Y274 HydrophobicContact CE2-CG 3.81Å; F137-Y274 AromaticContact CG-CD1 3.45Å; F137-Y274 HydrophobicContact CG-CD1 3.45Å; F137-Y274 VanDerWaalsContact CG-CD1 3.45Å; F137-Y274 AromaticContact CG-CE1 3.52Å; F137-Y274 HydrophobicContact CG-CE1 3.52Å; F137-Y274 HydrophobicContact CG-CG 4.14Å; F137-Y274 HydrophobicContact CZ-CD1 4.25Å; F137-Y274 HydrophobicContact CZ-CD2 4.46Å; F137-Y274 AromaticContact CZ-CG 3.99Å; F137-Y274 HydrophobicContact CZ-CG 3.99Å
138	T	94.3	Very high	92	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-55.3	-50.9	176.3	-67.4	0	0	0	0	110.5	P111 L134 G135 Q140 Q141 W142 F267	P111-T138 HydrophobicContact CG-CG2 3.48Å; P111-T138 VanDerWaalsContact CG-CG2 3.48Å; L134-T138 WeakPolarHBondContact O-CB 3.08Å; L134-T138 PolarHBondContact O-N 3.19Å; L134-T138 PolarHBondContact O-OG1 2.85Å; G135-T138 PolarHBondContact O-N 3.48Å; T138-Q140 VanDerWaalsContact C-N 3.27Å; T138-Q140 PolarHBondContact O-N 2.82Å; T138-Q141 PolarHBondContact O-N 2.8Å; T138-W142 WeakPolarHBondContact O-CB 3.19Å; T138-W142 PolarHBondContact O-N 3.47Å; T138-F267 HydrophobicContact CG2-CZ 4.06Å
139	S	94.3	Very high	92	Very high	27 Å²	27	48.1 Å²	48.1	19%	0.189	23%	0.234	C	C	.	.	H	α-helix	trans	-58.4	-37.4	177.1	-44.9	0	0	0	0	113	E110 G135 F137 K143	E110-S139 WeakPolarHBondContact OE1-CA 3.47Å; E110-S139 WeakPolarHBondContact OE1-CB 3.42Å; E110-S139 PolarHBondContact OE1-OG 2.85Å; G135-S139 PolarHBondContact O-N 2.94Å; G135-S139 PolarHBondContact O-OG 2.94Å; F137-S139 PolarHBondContact O-N 3.02Å; S139-K143 WeakPolarHBondContact O-CD 3.49Å; S139-K143 VanDerWaalsContact O-CG 3.28Å; S139-K143 WeakPolarHBondContact O-CG 3.42Å; S139-K143 PolarHBondContact O-N 3.25Å
140	Q	93	Very high	91.7	Very high	102 Å²	102	48.9 Å²	48.9	48%	0.477	24%	0.238	S	C	.	.	H	α-helix	trans	-74.3	-41.2	-179.4	-75.5	175.7	21.4	0	0	112.4	M136 F137 T138 H144	M136-Q140 WeakPolarHBondContact O-CB 3.5Å; M136-Q140 WeakPolarHBondContact O-CG 3.16Å; M136-Q140 PolarHBondContact O-N 3.47Å; M136-Q140 VanDerWaalsContact O-N 3.1Å; F137-Q140 PolarHBondContact O-N 3.25Å; F137-Q140 VanDerWaalsContact O-N 3.13Å; T138-Q140 VanDerWaalsContact C-N 3.27Å; T138-Q140 PolarHBondContact O-N 2.82Å; Q140-H144 PolarHBondContact O-CD2 2.99Å
141	Q	92.4	Very high	91.3	Very high	26 Å²	26	54.4 Å²	54.4	12%	0.121	26%	0.262	C	S	.	.	H	α-helix	trans	-70.2	-43	176.4	-64.2	-49	-72.1	0	0	110.9	F137 T138 K143 H144 L145 F267	F137-Q141 HydrophobicContact CD1-CG 4.29Å; F137-Q141 HydrophobicContact CD2-CG 4.22Å; F137-Q141 HydrophobicContact CE1-CG 3.87Å; F137-Q141 HydrophobicContact CE2-CG 3.8Å; F137-Q141 HydrophobicContact CG-CG 4.45Å; F137-Q141 HydrophobicContact CZ-CG 3.61Å; F137-Q141 WeakPolarHBondContact O-CG 3.25Å; F137-Q141 PolarHBondContact O-N 3.26Å; T138-Q141 PolarHBondContact O-N 2.8Å; Q141-K143 VanDerWaalsContact C-N 3.27Å; Q141-K143 PolarHBondContact O-N 3.3Å; Q141-H144 PolarHBondContact O-N 3.13Å; Q141-L145 HydrophobicContact CB-CD1 4.08Å; Q141-L145 VanDerWaalsContact O-CG 3.3Å; Q141-L145 WeakPolarHBondContact O-CG 3.26Å; Q141-L145 PolarHBondContact O-N 3.47Å; Q141-F267 HydrophobicContact CB-CE2 3.88Å
142	W	92.3	Very high	90.8	Very high	23 Å²	23	52.5 Å²	52.5	9%	0.087	26%	0.259	C	S	.	.	H	α-helix	trans	-58	-36.9	-177.3	-158.6	-95.8	0	0	0	112.9	F100 Y105 L106 G108 E110 P111 T138 H144 L145 F267	F100-W142 AromaticContact CD1-CH2 3.64Å; F100-W142 HydrophobicContact CD1-CH2 3.64Å; F100-W142 HydrophobicContact CD1-CZ3 4.04Å; F100-W142 AromaticContact CE1-CH2 3.7Å; F100-W142 HydrophobicContact CE1-CH2 3.7Å; F100-W142 AromaticContact CE1-CZ3 3.58Å; F100-W142 HydrophobicContact CE1-CZ3 3.58Å; Y105-W142 HydrophobicContact CD2-CH2 4.47Å; Y105-W142 HydrophobicContact CE2-CH2 4.5Å; L106-W142 HydrophobicContact CD2-CE3 4.28Å; L106-W142 HydrophobicContact CD2-CH2 3.96Å; L106-W142 HydrophobicContact CD2-CZ3 3.62Å; G108-W142 PolarHBondContact O-NE1 2.88Å; E110-W142 HydrophobicContact CG-CB 4.47Å; E110-W142 HydrophobicContact CG-CG 4.36Å; P111-W142 VanDerWaalsContact CD-CD2 3.45Å; P111-W142 HydrophobicContact CG-CD2 4.3Å; P111-W142 HydrophobicContact CG-CE3 3.94Å; P111-W142 HydrophobicContact CG-CH2 4.34Å; P111-W142 HydrophobicContact CG-CZ3 3.97Å; T138-W142 WeakPolarHBondContact O-CB 3.19Å; T138-W142 PolarHBondContact O-N 3.47Å; W142-H144 PolarHBondContact O-N 3.39Å; W142-L145 PolarHBondContact O-N 2.99Å; W142-F267 HydrophobicContact CE3-CD1 4.21Å; W142-F267 AromaticContact CE3-CE1 3.56Å; W142-F267 HydrophobicContact CE3-CE1 3.56Å; W142-F267 AromaticContact CE3-CZ 3.73Å; W142-F267 HydrophobicContact CE3-CZ 3.73Å; W142-F267 AromaticContact CZ3-CD1 3.8Å; W142-F267 HydrophobicContact CZ3-CD1 3.8Å; W142-F267 AromaticContact CZ3-CE1 3.46Å; W142-F267 HydrophobicContact CZ3-CE1 3.46Å; W142-F267 VanDerWaalsContact CZ3-CE1 3.46Å; W142-F267 HydrophobicContact CZ3-CZ 4.12Å
143	K	90.3	Very high	90.1	Very high	155 Å²	155	52.5 Å²	52.5	67%	0.674	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-19.7	176.2	-75.5	171.5	-173.5	-177.9	0	115	S139 Q141	S139-K143 WeakPolarHBondContact O-CD 3.49Å; S139-K143 VanDerWaalsContact O-CG 3.28Å; S139-K143 WeakPolarHBondContact O-CG 3.42Å; S139-K143 PolarHBondContact O-N 3.25Å; Q141-K143 VanDerWaalsContact C-N 3.27Å; Q141-K143 PolarHBondContact O-N 3.3Å
144	H	88	Confident	89.3	Confident	140 Å²	140	56.8 Å²	56.8	65%	0.648	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	-0.2	-176.4	-58.9	-50.2	0	0	0	112.8	Q140 Q141 W142	Q140-H144 PolarHBondContact O-CD2 2.99Å; Q141-H144 PolarHBondContact O-N 3.13Å; W142-H144 PolarHBondContact O-N 3.39Å
145	L	89.9	Confident	88.4	Confident	14 Å²	14	62.9 Å²	62.9	7%	0.073	31%	0.308	C	S	.	.			trans	-95.9	142.1	178.4	-74.2	169.6	0	0	0	110	L106 Q141 W142 F149 L150 L263 F267	L106-L145 HydrophobicContact CD2-CB 4.47Å; L106-L145 HydrophobicContact CD2-CD1 4.4Å; Q141-L145 HydrophobicContact CB-CD1 4.08Å; Q141-L145 VanDerWaalsContact O-CG 3.3Å; Q141-L145 WeakPolarHBondContact O-CG 3.26Å; Q141-L145 PolarHBondContact O-N 3.47Å; W142-L145 PolarHBondContact O-N 2.99Å; L145-F149 HydrophobicContact CD2-CD1 4.39Å; L145-L150 HydrophobicContact CD2-CD2 4.49Å; L145-L263 HydrophobicContact CD1-CD2 4.38Å; L145-L263 HydrophobicContact CD2-CD1 3.53Å; L145-L263 HydrophobicContact CD2-CD2 3.9Å; L145-L263 HydrophobicContact CD2-CG 4.36Å; L145-F267 HydrophobicContact CD1-CD2 3.35Å; L145-F267 HydrophobicContact CD1-CE2 3.57Å; L145-F267 HydrophobicContact CD1-CG 4.06Å; L145-F267 HydrophobicContact CD1-CZ 4.41Å
146	S	90.4	Very high	87.5	Confident	36 Å²	36	68.7 Å²	68.7	25%	0.252	33%	0.329	S	S	.	.			trans	-160	160.8	165.9	67.1	0	0	0	0	108.1	D107 D148 F149 L150	D107-S146 WeakPolarHBondContact OD1-CA 3.46Å; D107-S146 WeakPolarHBondContact OD1-CB 3.05Å; S146-D148 PolarHBondContact O-N 3.1Å; S146-F149 WeakPolarHBondContact O-CB 3.46Å; S146-F149 PolarHBondContact O-N 2.49Å; S146-F149 WeakPolarHBondContact OG-CB 3.3Å; S146-F149 PolarHBondContact OG-N 2.88Å; S146-L150 PolarHBondContact O-N 2.99Å; S146-L150 VanDerWaalsContact O-N 3.09Å
147	N	89.2	Confident	85.9	Confident	10 Å²	10	69.3 Å²	69.3	5%	0.053	33%	0.326	C	S	.	.	H	α-helix	trans	-63.1	-34.2	176	-74	-56.3	0	0	0	111.7	H37 Y105 D107 L150 K151	H37-N147 PolarHBondContact CE1-ND2 3.08Å; H37-N147 VanDerWaalsContact CE1-ND2 3.32Å; Y105-N147 PolarHBondContact O-ND2 3.23Å; D107-N147 VanDerWaalsContact CG-ND2 3.33Å; D107-N147 PolarHBondContact OD1-N 2.96Å; D107-N147 WeakPolarHBondContact OD2-CB 3.25Å; D107-N147 PolarHBondContact OD2-ND2 2.86Å; N147-L150 PolarHBondContact O-N 2.89Å; N147-K151 WeakPolarHBondContact O-CG 3.37Å; N147-K151 PolarHBondContact O-N 2.89Å
148	D	88.5	Confident	84.1	Confident	109 Å²	109	75.1 Å²	75.1	58%	0.583	35%	0.353	S	S	*	.	H	α-helix	trans	-65.7	-39.8	174.6	-74.5	-14.1	0	0	0	112.3	S146 L150 K151 T152	S146-D148 PolarHBondContact O-N 3.1Å; D148-L150 PolarHBondContact O-N 2.88Å; D148-K151 PolarHBondContact O-N 2.89Å; D148-T152 WeakPolarHBondContact O-CG2 3.47Å; D148-T152 PolarHBondContact O-N 3.04Å; D148-T152 PolarHBondContact O-OG1 2.94Å
149	F	87.8	Confident	82.1	Confident	75 Å²	75	79.2 Å²	79.2	33%	0.329	38%	0.382	S	S	.	.	H	α-helix	trans	-60.6	-45.7	174	173.7	-98.5	0	0	0	111.2	L145 S146 K151 T152 Q153 L263	L145-F149 HydrophobicContact CD2-CD1 4.39Å; S146-F149 WeakPolarHBondContact O-CB 3.46Å; S146-F149 PolarHBondContact O-N 2.49Å; S146-F149 WeakPolarHBondContact OG-CB 3.3Å; S146-F149 PolarHBondContact OG-N 2.88Å; F149-K151 PolarHBondContact O-N 2.68Å; F149-T152 PolarHBondContact O-N 3.11Å; F149-T152 PolarHBondContact O-OG1 3.32Å; F149-Q153 HydrophobicContact CD1-CG 4.36Å; F149-Q153 HydrophobicContact CE1-CG 3.9Å; F149-Q153 HydrophobicContact CE2-CG 4.15Å; F149-Q153 HydrophobicContact CZ-CG 3.78Å; F149-Q153 WeakPolarHBondContact O-CG 3.36Å; F149-Q153 PolarHBondContact O-N 3.3Å; F149-L263 HydrophobicContact CE1-CD1 4.39Å
150	L	84.9	Confident	79.2	Confident	19 Å²	19	86.6 Å²	86.6	10%	0.099	41%	0.406	C	S	.	.	H	α-helix	trans	-62.5	-43.5	178.3	-70	-177.2	0	0	0	112.3	Q39 L106 L145 S146 N147 D148 T152 Q153 Q154	Q39-L150 HydrophobicContact CG-CD1 4.12Å; L106-L150 HydrophobicContact CD1-CD1 3.32Å; L106-L150 HydrophobicContact CD1-CG 4.38Å; L145-L150 HydrophobicContact CD2-CD2 4.49Å; S146-L150 PolarHBondContact O-N 2.99Å; S146-L150 VanDerWaalsContact O-N 3.09Å; N147-L150 PolarHBondContact O-N 2.89Å; D148-L150 PolarHBondContact O-N 2.88Å; L150-T152 PolarHBondContact O-N 2.81Å; L150-Q153 WeakPolarHBondContact O-CB 3.37Å; L150-Q153 PolarHBondContact O-N 2.86Å; L150-Q154 WeakPolarHBondContact O-CG 3.47Å; L150-Q154 PolarHBondContact O-N 2.86Å
151	K	83.9	Confident	76.8	Confident	115 Å²	115	88.2 Å²	88.2	50%	0.5	41%	0.411	S	S	.	.	H	α-helix	trans	-58.2	-48.2	175.2	-73	171.8	-172.9	166.8	0	111.7	N147 D148 F149 Q153 Q154 E155	N147-K151 WeakPolarHBondContact O-CG 3.37Å; N147-K151 PolarHBondContact O-N 2.89Å; D148-K151 PolarHBondContact O-N 2.89Å; F149-K151 PolarHBondContact O-N 2.68Å; K151-Q153 VanDerWaalsContact C-N 3.27Å; K151-Q153 PolarHBondContact O-N 2.87Å; K151-Q154 PolarHBondContact O-N 2.83Å; K151-E155 WeakPolarHBondContact O-CB 3.47Å; K151-E155 WeakPolarHBondContact O-CG 3.06Å; K151-E155 PolarHBondContact O-N 2.84Å
152	T	83.2	Confident	74.3	Confident	56 Å²	56	95.1 Å²	95.1	34%	0.344	44%	0.441	S	S	.	.	H	α-helix	trans	-64.2	-31.1	179	63.3	0	0	0	0	113.1	D148 F149 L150 K156	D148-T152 WeakPolarHBondContact O-CG2 3.47Å; D148-T152 PolarHBondContact O-N 3.04Å; D148-T152 PolarHBondContact O-OG1 2.94Å; F149-T152 PolarHBondContact O-N 3.11Å; F149-T152 PolarHBondContact O-OG1 3.32Å; L150-T152 PolarHBondContact O-N 2.81Å; T152-K156 WeakPolarHBondContact O-CB 3.09Å; T152-K156 VanDerWaalsContact O-CG 3.28Å; T152-K156 WeakPolarHBondContact O-CG 3.17Å; T152-K156 PolarHBondContact O-N 3.12Å; T152-K156 VanDerWaalsContact O-N 3.07Å
153	Q	77	Confident	71.7	Confident	74 Å²	74	98.2 Å²	98.2	35%	0.346	47%	0.472	S	S	.	.	H	α-helix	trans	-68.9	-44.4	173.6	-73.7	-66.1	-40.1	0	0	111.8	F149 L150 K151 K156 R157	F149-Q153 HydrophobicContact CD1-CG 4.36Å; F149-Q153 HydrophobicContact CE1-CG 3.9Å; F149-Q153 HydrophobicContact CE2-CG 4.15Å; F149-Q153 HydrophobicContact CZ-CG 3.78Å; F149-Q153 WeakPolarHBondContact O-CG 3.36Å; F149-Q153 PolarHBondContact O-N 3.3Å; L150-Q153 WeakPolarHBondContact O-CB 3.37Å; L150-Q153 PolarHBondContact O-N 2.86Å; K151-Q153 VanDerWaalsContact C-N 3.27Å; K151-Q153 PolarHBondContact O-N 2.87Å; Q153-K156 PolarHBondContact O-N 2.99Å; Q153-R157 WeakPolarHBondContact O-CG 3.47Å; Q153-R157 PolarHBondContact O-N 2.85Å; Q153-R157 VanDerWaalsContact O-N 3.11Å
154	Q	76	Confident	69	Low	99 Å²	99	96.9 Å²	96.9	46%	0.463	48%	0.482	S	S	.	.	H	α-helix	trans	-63.4	-44.3	176.3	-70.2	173.2	-6.8	0	0	111.1	L150 K151 K156 R157 H158	L150-Q154 WeakPolarHBondContact O-CG 3.47Å; L150-Q154 PolarHBondContact O-N 2.86Å; K151-Q154 PolarHBondContact O-N 2.83Å; Q154-K156 PolarHBondContact O-N 2.77Å; Q154-R157 WeakPolarHBondContact O-CB 3.35Å; Q154-R157 PolarHBondContact O-N 3Å; Q154-R157 VanDerWaalsContact O-N 3.17Å; Q154-H158 PolarHBondContact O-CD2 2.99Å; Q154-H158 PolarHBondContact O-N 2.89Å
155	E	78.1	Confident	66.4	Low	128 Å²	128	92.9 Å²	92.9	60%	0.598	48%	0.479	S	S	*	.	H	α-helix	trans	-61.7	-41.7	176.6	-73.6	177.8	170.7	0	0	112.8	K151 R157 H158 S159	K151-E155 WeakPolarHBondContact O-CB 3.47Å; K151-E155 WeakPolarHBondContact O-CG 3.06Å; K151-E155 PolarHBondContact O-N 2.84Å; E155-R157 VanDerWaalsContact C-N 3.32Å; E155-R157 PolarHBondContact O-N 2.91Å; E155-H158 PolarHBondContact O-N 2.84Å; E155-S159 VanDerWaalsContact O-CB 3.24Å; E155-S159 WeakPolarHBondContact O-CB 3.34Å; E155-S159 PolarHBondContact O-N 2.74Å
156	K	75.2	Confident	63.6	Low	137 Å²	137	98.4 Å²	98.4	60%	0.596	51%	0.513	S	S	*	.	H	α-helix	trans	-61.9	-39	174.3	-78.6	173.4	-176.9	170.4	0	112	T152 Q153 Q154 W160	T152-K156 WeakPolarHBondContact O-CB 3.09Å; T152-K156 VanDerWaalsContact O-CG 3.28Å; T152-K156 WeakPolarHBondContact O-CG 3.17Å; T152-K156 PolarHBondContact O-N 3.12Å; T152-K156 VanDerWaalsContact O-N 3.07Å; Q153-K156 PolarHBondContact O-N 2.99Å; Q154-K156 PolarHBondContact O-N 2.77Å; K156-W160 PolarHBondContact O-N 2.93Å; K156-W160 VanDerWaalsContact O-N 3.08Å
157	R	60.5	Low	60.6	Low	103 Å²	103	103.9 Å²	103.9	39%	0.389	54%	0.538	S	S	.	.	H	α-helix	trans	-63.2	-51.1	173.8	-71.3	174.4	110	129.3	-4	110.3	Q153 Q154 E155 S159 W160 F161 E264	Q153-R157 WeakPolarHBondContact O-CG 3.47Å; Q153-R157 PolarHBondContact O-N 2.85Å; Q153-R157 VanDerWaalsContact O-N 3.11Å; Q154-R157 WeakPolarHBondContact O-CB 3.35Å; Q154-R157 PolarHBondContact O-N 3Å; Q154-R157 VanDerWaalsContact O-N 3.17Å; E155-R157 VanDerWaalsContact C-N 3.32Å; E155-R157 PolarHBondContact O-N 2.91Å; R157-S159 VanDerWaalsContact C-N 3.33Å; R157-S159 PolarHBondContact O-N 2.66Å; R157-W160 PolarHBondContact O-N 3.34Å; R157-F161 WeakPolarHBondContact O-CD2 3.38Å; R157-F161 PolarHBondContact O-N 3.3Å; R157-F161 VanDerWaalsContact O-N 3.1Å; R157-E264 IonicContact CZ-OE1 3.22Å; R157-E264 IonicContact NH2-OE1 2.69Å; R157-E264 PolarHBondContact NH2-OE1 3.26Å; R157-E264 IonicContact NH2-OE2 3.85Å; R157-E264 PolarHBondContact NH2-OE2 2.9Å
158	H	57.1	Low	57.7	Low	130 Å²	130	112.1 Å²	112.1	60%	0.602	57%	0.573	S	S	*	*	H	α-helix	trans	-63.3	-35.2	179.2	-72.7	-65	0	0	0	113.5	Q154 E155 F161 K162	Q154-H158 PolarHBondContact O-CD2 2.99Å; Q154-H158 PolarHBondContact O-N 2.89Å; E155-H158 PolarHBondContact O-N 2.84Å; H158-F161 PolarHBondContact O-N 3.42Å; H158-K162 PolarHBondContact O-N 2.83Å; H158-K162 VanDerWaalsContact O-N 3.07Å
159	S	51.7	Low	54.9	Low	85 Å²	85	115.3 Å²	115.3	59%	0.594	58%	0.582	S	S	*	*	H	α-helix	trans	-66.5	-39.3	175.2	-175.8	0	0	0	0	112.1	E155 R157 K162	E155-S159 VanDerWaalsContact O-CB 3.24Å; E155-S159 WeakPolarHBondContact O-CB 3.34Å; E155-S159 PolarHBondContact O-N 2.74Å; R157-S159 VanDerWaalsContact C-N 3.33Å; R157-S159 PolarHBondContact O-N 2.66Å; S159-K162 PolarHBondContact O-N 2.85Å
160	W	34.1	Very low	51.9	Low	183 Å²	183	121.1 Å²	121.1	69%	0.693	61%	0.608	S	S	*	*	H	α-helix	trans	-68.3	-33.7	175.6	-169.4	56	0	0	0	113	K156 R157 K162	K156-W160 PolarHBondContact O-N 2.93Å; K156-W160 VanDerWaalsContact O-N 3.08Å; R157-W160 PolarHBondContact O-N 3.34Å; W160-K162 VanDerWaalsContact C-N 3.32Å
161	F	42.4	Very low	49.1	Very low	135 Å²	135	131 Å²	131	59%	0.592	64%	0.643	S	S	*	*	H	α-helix	trans	-73.5	-21.6	172.2	-71.2	-66.8	0	0	0	113.3	R157 H158 A163	R157-F161 WeakPolarHBondContact O-CD2 3.38Å; R157-F161 PolarHBondContact O-N 3.3Å; R157-F161 VanDerWaalsContact O-N 3.1Å; H158-F161 PolarHBondContact O-N 3.42Å; F161-A163 PolarHBondContact O-N 3.45Å
162	K	39.3	Very low	46.5	Very low	171 Å²	171	130.4 Å²	130.4	74%	0.743	66%	0.66	S	S	*	*			trans	-79.2	46.5	167.2	-70.3	-170.2	-176.8	-179	0	112	H158 S159 W160 S164	H158-K162 PolarHBondContact O-N 2.83Å; H158-K162 VanDerWaalsContact O-N 3.07Å; S159-K162 PolarHBondContact O-N 2.85Å; W160-K162 VanDerWaalsContact C-N 3.32Å; K162-S164 PolarHBondContact O-N 2.95Å; K162-S164 VanDerWaalsContact O-N 3.13Å
163	A	37.5	Very low	43.9	Very low	89 Å²	89	131 Å²	131	74%	0.736	68%	0.677	S	S	*	*			trans	-83.2	48.6	161.7	0	0	0	0	0	111.2	F161	F161-A163 PolarHBondContact O-N 3.45Å
164	S	34.3	Very low	41.5	Very low	126 Å²	126	135.9 Å²	135.9	88%	0.881	71%	0.705	S	S	*	*			trans	-108.4	64	152.2	177.4	0	0	0	0	106.9	K162	K162-S164 PolarHBondContact O-N 2.95Å; K162-S164 VanDerWaalsContact O-N 3.13Å
165	G	33.8	Very low	39.3	Very low	57 Å²	57	136.6 Å²	136.6	59%	0.588	72%	0.721	S	S	*	*	S	Bend	trans	-165.3	78	-174.3	0	0	0	0	0	109.7
166	T	30.2	Very low	36.9	Very low	129 Å²	129	137.6 Å²	137.6	79%	0.791	73%	0.728	S	S	*	*			trans	39.8	103.5	159.4	-44.4	0	0	0	0	115.8	K168	T166-K168 VanDerWaalsContact C-N 3.35Å; T166-K168 PolarHBondContact O-N 3.01Å
167	I	28.1	Very low	34.7	Very low	152 Å²	152	140.7 Å²	140.7	78%	0.779	74%	0.742	S	S	*	*			trans	-39.3	100.6	158.2	-64.9	165.7	0	0	0	108.2	K169	I167-K169 HydrophobicContact CG2-CG 4.21Å; I167-K169 PolarHBondContact O-N 2.87Å
168	K	26.9	Very low	33	Very low	182 Å²	182	141 Å²	141	79%	0.791	76%	0.76	S	S	*	*			trans	-67.5	91.2	164	-79	-174.7	179.1	177.5	0	104.7	T166 F170	T166-K168 VanDerWaalsContact C-N 3.35Å; T166-K168 PolarHBondContact O-N 3.01Å; K168-F170 VanDerWaalsContact C-N 3.25Å; K168-F170 PolarHBondContact O-N 2.62Å
169	K	31	Very low	31.8	Very low	176 Å²	176	140.4 Å²	140.4	77%	0.765	77%	0.768	S	S	*	*			trans	-51.7	97.7	165.5	-78.3	178.5	176	172.2	0	106.3	I167 R171	I167-K169 HydrophobicContact CG2-CG 4.21Å; I167-K169 PolarHBondContact O-N 2.87Å; K169-R171 PolarHBondContact O-N 2.85Å
170	F	23.6	Very low	30.7	Very low	198 Å²	198	144.3 Å²	144.3	87%	0.868	78%	0.781	S	S	*	*			trans	-66	79.3	156	-88.3	-91.7	0	0	0	106.2	K168 A172	K168-F170 VanDerWaalsContact C-N 3.25Å; K168-F170 PolarHBondContact O-N 2.62Å; F170-A172 PolarHBondContact O-N 3.07Å; F170-A172 VanDerWaalsContact O-N 3.09Å
171	R	28	Very low	30.4	Very low	226 Å²	226	140.4 Å²	140.4	85%	0.853	78%	0.778	S	S	*	*			trans	-74.9	91.9	156.1	-114.5	-176.7	178.5	164.3	-1.7	105	K169 G173	K169-R171 PolarHBondContact O-N 2.85Å; R171-G173 PolarHBondContact O-N 2.64Å; R171-G173 VanDerWaalsContact O-N 3.08Å
172	A	27.8	Very low	29.4	Very low	103 Å²	103	143.3 Å²	143.3	85%	0.851	79%	0.791	S	S	*	*			trans	-50.5	111	153.2	0	0	0	0	0	107	F170	F170-A172 PolarHBondContact O-N 3.07Å; F170-A172 VanDerWaalsContact O-N 3.09Å
173	G	29.1	Very low	28.7	Very low	68 Å²	68	140.6 Å²	140.6	70%	0.701	79%	0.794	S	S	*	*			trans	-147.1	90.5	-179.5	0	0	0	0	0	108.2	R171 S175	R171-G173 PolarHBondContact O-N 2.64Å; R171-G173 VanDerWaalsContact O-N 3.08Å; G173-S175 PolarHBondContact O-N 2.88Å
174	L	27.3	Very low	28.4	Very low	177 Å²	177	142 Å²	142	93%	0.927	80%	0.795	S	S	*	*			trans	-46.7	122	160.4	-71.9	146.6	0	0	0	109.6
175	S	29.9	Very low	28	Very low	114 Å²	114	141.2 Å²	141.2	80%	0.797	79%	0.789	S	S	*	*				178.3	124.4	124.7	60	0	0	0	0	111.1	G173 F177	G173-S175 PolarHBondContact O-N 2.88Å; S175-F177 PolarHBondContact O-N 2.84Å
176	I	27.9	Very low	27.5	Very low	148 Å²	148	148.1 Å²	148.1	76%	0.759	80%	0.804	S	S	*	*			trans	-52.9	123.5	166.2	-58.5	149.7	0	0	0	108.7
177	F	28.8	Very low	27.6	Very low	203 Å²	203	146.7 Å²	146.7	89%	0.89	80%	0.797	S	S	*	*			trans	177.7	123.9	135.5	-95	-69.1	0	0	0	109.2	S175	S175-F177 PolarHBondContact O-N 2.84Å
178	S	23.4	Very low	27.2	Very low	109 Å²	109	146.4 Å²	146.4	76%	0.762	80%	0.795	S	S	*	*			trans	-84.7	-172.1	-174.2	-37.5	0	0	0	0	111.5
179	P	33.6	Very low	27.1	Very low	117 Å²	117	145 Å²	145	76%	0.76	80%	0.795	S	S	*	*				-118.7	158.8	-106.4	31.5	-11.7	0	0	0	113.7
180	I	27.4	Very low	26.5	Very low	168 Å²	168	144.6 Å²	144.6	86%	0.862	80%	0.796	S	S	*	*			trans	-127.8	125.5	163.4	-62.6	177.7	0	0	0	109.5
181	P	27.6	Very low	26.4	Very low	100 Å²	100	142.6 Å²	142.6	65%	0.649	79%	0.794	S	S	*	*			trans	-100.5	-178.9	-174.7	39.7	-34.3	0	0	0	113.2
182	K	23	Very low	26.1	Very low	197 Å²	197	137 Å²	137	86%	0.857	79%	0.79	S	S	*	*			trans	106	133.1	171.9	-60.2	169.4	-175.1	-176	0	111.6
183	S	24	Very low	25.6	Very low	114 Å²	114	140.7 Å²	140.7	80%	0.797	79%	0.792	S	S	*	*			cis	-172.9	167.6	13.4	26.4	0	0	0	0	109.4
184	P	30.5	Very low	25.5	Very low	117 Å²	117	145.7 Å²	145.7	76%	0.76	80%	0.801	S	S	*	*			trans	-107.1	157.6	-163.8	38.9	-29.3	0	0	0	114.7
185	S	25.6	Very low	25.2	Very low	110 Å²	110	147.5 Å²	147.5	77%	0.769	80%	0.802	S	S	*	*			trans	-161.7	101.2	163.1	45.8	0	0	0	0	109
186	F	23.2	Very low	24.8	Very low	202 Å²	202	145.7 Å²	145.7	89%	0.886	80%	0.801	S	S	*	*				81.8	140.8	94.4	-89	-83.3	0	0	0	114.5
187	P	32.2	Very low	24.5	Very low	100 Å²	100	148.6 Å²	148.6	65%	0.649	81%	0.808	S	S	*	*			trans	-96.7	-177.9	-160.9	39.8	-30.4	0	0	0	111.7
188	I	21.1	Very low	24	Very low	145 Å²	145	147.2 Å²	147.2	74%	0.744	81%	0.809	S	S	*	*			trans	164.3	137	137.3	-89	162.3	0	0	0	113.6
189	I	24.1	Very low	23.9	Very low	152 Å²	152	145.5 Å²	145.5	78%	0.779	81%	0.809	S	S	*	*			trans	84.9	92.8	153.3	-68.4	163.9	0	0	0	120.6
190	Q	18.2	Very low	23.3	Very low	168 Å²	168	146.6 Å²	146.6	79%	0.785	81%	0.813	S	S	*	*				-7.9	124.9	120.4	-153.7	171	20.8	0	0	117.3
191	D	21.2	Very low	23.1	Very low	156 Å²	156	143.9 Å²	143.9	83%	0.834	81%	0.806	S	S	*	*				176.4	153.5	117.8	-108.4	-30.2	0	0	0	115.5
192	S	22.7	Very low	22.7	Very low	110 Å²	110	147.7 Å²	147.7	77%	0.769	82%	0.816	S	S	*	*			trans	90.3	112.7	151.4	-153.1	0	0	0	0	120.1
193	M	18.1	Very low	22.6	Very low	180 Å²	180	146 Å²	146	89%	0.887	82%	0.815	S	S	*	*			trans	-62.5	135.4	163.1	-64.8	-166.3	176	0	0	112.3
194	L	26.9	Very low	22.7	Very low	173 Å²	173	152.4 Å²	152.4	91%	0.906	82%	0.822	S	S	*	*			trans	-137.3	113.7	151.2	-93.2	162.8	0	0	0	109.7	G196	L194-G196 PolarHBondContact O-N 3.24Å
195	K	19.3	Very low	22.3	Very low	215 Å²	215	153.5 Å²	153.5	94%	0.935	83%	0.826	S	S	*	*			trans	-60.2	122	164.7	-88.4	172.1	167.7	172	0	109.2
196	G	22.9	Very low	22.3	Very low	76 Å²	76	151.2 Å²	151.2	78%	0.784	82%	0.82	S	S	*	*			trans	-140.5	115.6	167.9	0	0	0	0	0	109.5	L194	L194-G196 PolarHBondContact O-N 3.24Å
197	K	20.8	Very low	22.3	Very low	209 Å²	209	153.4 Å²	153.4	91%	0.909	82%	0.822	S	S	*	*			trans	-66.8	152.7	-175	-77.5	176.6	172.3	-179.9	0	113
198	L	19.1	Very low	22.1	Very low	173 Å²	173	155.3 Å²	155.3	91%	0.906	83%	0.826	S	S	*	*			trans	-13.3	124.9	161	-87.4	71.5	0	0	0	116.5
199	G	21.5	Very low	22.4	Very low	74 Å²	74	156.7 Å²	156.7	76%	0.763	83%	0.832	S	S	*	*			trans	-152.6	92.6	157.2	0	0	0	0	0	108.9
200	V	19.3	Very low	22.4	Very low	139 Å²	139	157.3 Å²	157.3	84%	0.842	84%	0.837	S	S	*	*			trans	-86.7	133	167.7	172.6	0	0	0	0	107.7
201	P	23.7	Very low	22.8	Very low	111 Å²	111	160.2 Å²	160.2	72%	0.721	84%	0.84	S	S	*	*			trans	-123.7	123.6	147.4	30.6	-16.4	0	0	0	112.2
202	E	20.1	Very low	23	Very low	181 Å²	181	158.3 Å²	158.3	85%	0.846	84%	0.839	S	S	*	*			trans	59.5	115.9	134.8	-94.4	178.1	151	0	0	122.9
203	L	21.2	Very low	23.1	Very low	161 Å²	161	160.1 Å²	160.1	84%	0.843	84%	0.839	S	S	*	*			trans	-36.6	125.6	154.4	-75	142.4	0	0	0	114.5
204	R	24.4	Very low	23.3	Very low	249 Å²	249	156.6 Å²	156.6	94%	0.94	83%	0.832	S	S	*	*			trans	-113.1	107.6	150.3	-75.7	-171.2	-179.6	173.8	1.8	109.3	G206	R204-G206 PolarHBondContact O-N 3.48Å; R204-G206 VanDerWaalsContact O-N 3.16Å
205	V	23	Very low	23.2	Very low	139 Å²	139	153.2 Å²	153.2	84%	0.842	82%	0.821	S	S	*	*			trans	-69.1	99.6	173.7	177.9	0	0	0	0	108.9
206	G	25	Very low	23.4	Very low	63 Å²	63	149.4 Å²	149.4	65%	0.649	82%	0.816	S	S	*	*			trans	-100.8	115.4	173.1	0	0	0	0	0	111	R204 L208	R204-G206 PolarHBondContact O-N 3.48Å; R204-G206 VanDerWaalsContact O-N 3.16Å; G206-L208 PolarHBondContact O-N 3.01Å; G206-L208 VanDerWaalsContact O-N 3.14Å
207	R	24.8	Very low	23.5	Very low	247 Å²	247	153.5 Å²	153.5	93%	0.932	82%	0.817	S	S	*	*			trans	-37.6	109.7	175.5	-65.3	175.4	-179.9	-178.8	-1.1	112.9
208	L	27.2	Very low	23.6	Very low	140 Å²	140	153.1 Å²	153.1	73%	0.733	82%	0.815	S	S	*	*			trans	-101.3	108.3	168.2	-144.7	78.1	0	0	0	109.2	G206 N210	G206-L208 PolarHBondContact O-N 3.01Å; G206-L208 VanDerWaalsContact O-N 3.14Å; L208-N210 PolarHBondContact O-N 3.46Å
209	M	26.2	Very low	23.9	Very low	175 Å²	175	152.1 Å²	152.1	86%	0.862	81%	0.811	S	S	*	*			trans	-58.3	130.8	174.4	-74	168.7	135.2	0	0	110.8	R211	M209-R211 PolarHBondContact O-N 2.98Å
210	N	25.5	Very low	24.1	Very low	165 Å²	165	153.9 Å²	153.9	88%	0.882	81%	0.809	S	S	*	*			trans	-54.5	99.4	167.7	-77.2	-18.4	0	0	0	110.3	L208	L208-N210 PolarHBondContact O-N 3.46Å
211	R	25.1	Very low	24.3	Very low	228 Å²	228	156.7 Å²	156.7	86%	0.86	81%	0.81	S	S	*	*			trans	-102.3	101.4	161.7	-93.4	-176.3	165.9	-179.1	-3.1	108.1	M209 I213	M209-R211 PolarHBondContact O-N 2.98Å; R211-I213 PolarHBondContact O-N 3.25Å; R211-I213 VanDerWaalsContact O-N 3.16Å
212	S	26.1	Very low	24.4	Very low	116 Å²	116	157.5 Å²	157.5	81%	0.811	81%	0.813	S	S	*	*			trans	-59.5	110.8	170.6	-31.6	0	0	0	0	109.1	S214	S212-S214 PolarHBondContact O-N 2.92Å
213	I	24.8	Very low	24.4	Very low	148 Å²	148	157.3 Å²	157.3	76%	0.759	81%	0.812	S	S	*	*			trans	-85	97.7	170.5	-58.8	174.8	0	0	0	106.8	R211 C215	R211-I213 PolarHBondContact O-N 3.25Å; R211-I213 VanDerWaalsContact O-N 3.16Å; I213-C215 PolarHBondContact O-N 3.11Å
214	S	22.5	Very low	24.6	Very low	107 Å²	107	155.6 Å²	155.6	75%	0.748	81%	0.808	S	S	*	*			trans	-75	99	167.8	53.2	0	0	0	0	108.9	S212 T216	S212-S214 PolarHBondContact O-N 2.92Å; S214-T216 PolarHBondContact O-N 3.47Å
215	C	25.6	Very low	24.3	Very low	101 Å²	101	153.6 Å²	153.6	68%	0.682	81%	0.806	S	S	*	*			trans	-78	100.1	163.2	55.2	0	0	0	0	108.6	I213 M217	I213-C215 PolarHBondContact O-N 3.11Å; C215-M217 PolarHBondContact O-N 3.25Å
216	T	23.4	Very low	24.3	Very low	135 Å²	135	150.2 Å²	150.2	83%	0.828	80%	0.799	S	S	*	*			trans	-63.5	96.7	166.4	21.5	0	0	0	0	109.2	S214 K218	S214-T216 PolarHBondContact O-N 3.47Å; T216-K218 PolarHBondContact O-N 3.36Å
217	M	25.1	Very low	24.2	Very low	162 Å²	162	158 Å²	158	80%	0.798	81%	0.81	S	S	*	*			trans	-69.2	116.1	165.3	-67.9	-68.4	-82.6	0	0	107.4	C215 N219	C215-M217 PolarHBondContact O-N 3.25Å; M217-N219 PolarHBondContact O-N 2.92Å; M217-N219 VanDerWaalsContact O-N 3.16Å
218	K	21.9	Very low	24	Very low	201 Å²	201	151.7 Å²	151.7	87%	0.874	80%	0.802	S	S	*	*			trans	-64.5	115.4	175.2	-72.9	-179.4	178.4	175.2	0	108	T216	T216-K218 PolarHBondContact O-N 3.36Å
219	N	26.4	Very low	24	Very low	152 Å²	152	151.1 Å²	151.1	81%	0.813	81%	0.806	S	S	*	*			trans	-57	137.4	171.3	-124.6	-22	0	0	0	109.3	M217 K221	M217-N219 PolarHBondContact O-N 2.92Å; M217-N219 VanDerWaalsContact O-N 3.16Å; N219-K221 PolarHBondContact O-N 3.13Å
220	P	25.1	Very low	23.8	Very low	111 Å²	111	148.1 Å²	148.1	72%	0.721	80%	0.802	S	S	*	*			trans	-62.4	124.4	-179.9	-14.8	27.4	0	0	0	109.5	V222	P220-V222 PolarHBondContact O-N 3.13Å; P220-V222 VanDerWaalsContact O-N 3.1Å
221	K	22.9	Very low	23.9	Very low	198 Å²	198	146 Å²	146	86%	0.861	80%	0.798	S	S	*	*			trans	-61.9	112.8	169.8	-80.2	178.9	173.7	-179.2	0	107.9	N219 E223	N219-K221 PolarHBondContact O-N 3.13Å; K221-E223 PolarHBondContact O-N 3.39Å
222	V	25.5	Very low	23.9	Very low	129 Å²	129	144.3 Å²	144.3	78%	0.782	80%	0.8	S	S	*	*			trans	-63	113	162.3	175.4	0	0	0	0	106.9	P220 V224	P220-V222 PolarHBondContact O-N 3.13Å; P220-V222 VanDerWaalsContact O-N 3.1Å; V222-V224 HydrophobicContact CG1-CG2 4.22Å; V222-V224 PolarHBondContact O-N 2.96Å
223	E	21.3	Very low	23.7	Very low	177 Å²	177	143.3 Å²	143.3	83%	0.827	80%	0.798	S	S	*	*			trans	-65	95.1	173.7	-72.5	-176.7	152.9	0	0	109.5	K221	K221-E223 PolarHBondContact O-N 3.39Å
224	V	25.3	Very low	23.5	Very low	125 Å²	125	139.9 Å²	139.9	76%	0.758	80%	0.8	S	S	*	*			trans	-94.4	112.5	162.3	179.8	0	0	0	0	106.9	V222 G226	V222-V224 HydrophobicContact CG1-CG2 4.22Å; V222-V224 PolarHBondContact O-N 2.96Å; V224-G226 PolarHBondContact O-N 3.17Å; V224-G226 VanDerWaalsContact O-N 3.16Å
225	F	18.9	Very low	23.7	Very low	207 Å²	207	143.1 Å²	143.1	91%	0.908	81%	0.808	S	S	*	*			trans	-46.8	114.5	173.9	-85.8	-99.2	0	0	0	111.3
226	G	22.6	Very low	23.4	Very low	67 Å²	67	146.2 Å²	146.2	69%	0.691	82%	0.817	S	S	*	*			trans	-155.8	116.6	174.1	0	0	0	0	0	110	V224	V224-G226 PolarHBondContact O-N 3.17Å; V224-G226 VanDerWaalsContact O-N 3.16Å
227	Y	21.6	Very low	23.4	Very low	226 Å²	226	146 Å²	146	89%	0.886	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-48.8	148.3	-171.4	-73.9	-95.7	0	0	0	115.5
228	P	22.3	Very low	23.7	Very low	116 Å²	116	143.2 Å²	143.2	75%	0.753	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-76	139.4	-168.7	31.4	-33.8	0	0	0	111.9
229	P	25.6	Very low	23.7	Very low	127 Å²	127	142.1 Å²	142.1	83%	0.825	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-80.1	123.6	172.6	28.8	-24.9	0	0	0	109.8
230	S	21.6	Very low	23.8	Very low	112 Å²	112	144.3 Å²	144.3	78%	0.783	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-70.6	151.9	172.4	47.5	0	0	0	0	111.6
231	P	28.4	Very low	23.9	Very low	122 Å²	122	145.8 Å²	145.8	79%	0.792	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-96.1	125.9	-163.9	34.9	-27.7	0	0	0	110.9
232	Q	25.6	Very low	23.9	Very low	191 Å²	191	139.7 Å²	139.7	89%	0.893	82%	0.816	S	S	*	*			trans	-124.3	95.8	161.8	-77.9	-176.1	-3.4	0	0	109.5
233	A	22.2	Very low	23.8	Very low	95 Å²	95	141.4 Å²	141.4	79%	0.785	82%	0.82	S	S	*	*				39.6	118.7	125.7	0	0	0	0	0	117.4
234	G	20.8	Very low	24.1	Very low	77 Å²	77	138.4 Å²	138.4	79%	0.794	82%	0.816	S	S	*	*			trans	-60.1	149.2	174.1	0	0	0	0	0	113.9
235	L	25.7	Very low	24.3	Very low	175 Å²	175	137.8 Å²	137.8	92%	0.916	82%	0.815	S	S	*	*			trans	-116.7	120.3	150.7	-109	92.1	0	0	0	108.9
236	L	19.6	Very low	24.6	Very low	165 Å²	165	133.6 Å²	133.6	86%	0.864	81%	0.808	S	S	*	*			trans	-65.9	139.8	167.8	-64.7	147.2	0	0	0	109.8
237	C	23.2	Very low	24.9	Very low	132 Å²	132	134.6 Å²	134.6	89%	0.892	81%	0.81	S	S	*	*			trans	-173.6	156.8	141.9	-98.8	0	0	0	0	112.2
238	P	31.2	Very low	25.1	Very low	102 Å²	102	135.2 Å²	135.2	66%	0.662	81%	0.81	S	S	*	*			trans	-112.1	159.4	-134.9	39.5	-32.3	0	0	0	116.4
239	Q	22	Very low	25.3	Very low	178 Å²	178	135.8 Å²	135.8	83%	0.832	81%	0.812	S	S	*	*			trans	46.9	101.5	140.7	-62.1	176.4	-0.7	0	0	118.8
240	H	29.3	Very low	25.3	Very low	198 Å²	198	133.8 Å²	133.8	92%	0.917	80%	0.801	S	S	*	*			trans	-136.5	143.3	139.7	-91.3	-70.7	0	0	0	111.5
241	V	26.4	Very low	25.8	Very low	143 Å²	143	133.9 Å²	133.9	87%	0.867	80%	0.799	S	S	*	*			trans	-79.8	137	-160.4	-169.9	0	0	0	0	111.3
242	G	23.1	Very low	25.8	Very low	69 Å²	69	134.5 Å²	134.5	71%	0.711	80%	0.795	S	S	*	*			trans	68.2	85.6	139.9	0	0	0	0	0	118.7
243	L	23.9	Very low	26.2	Very low	166 Å²	166	130.1 Å²	130.1	87%	0.869	78%	0.781	S	S	*	*			trans	-150.6	126.3	140.5	-98.7	150.3	0	0	0	107
244	P	27	Very low	27	Very low	114 Å²	114	130 Å²	130	74%	0.74	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-64	139.1	175.3	27	-30.8	0	0	0	108.7
245	P	29.1	Very low	28.4	Very low	112 Å²	112	128.1 Å²	128.1	73%	0.727	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-61.9	143.5	179.7	26.2	-31.9	0	0	0	109.1	A247	P245-A247 PolarHBondContact O-N 2.9Å
246	P	26.5	Very low	30.3	Very low	119 Å²	119	125.4 Å²	125.4	77%	0.773	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-54.4	131	177.6	23.3	-31.4	0	0	0	107.9	R248	P246-R248 PolarHBondContact O-N 2.73Å
247	A	27	Very low	32.9	Very low	87 Å²	87	118.5 Å²	118.5	72%	0.719	70%	0.703	S	S	*	*			trans	-41.3	116.6	172.7	0	0	0	0	0	107.2	P245 T249	P245-A247 PolarHBondContact O-N 2.9Å; A247-T249 PolarHBondContact O-N 2.8Å
248	R	27.4	Very low	35.9	Very low	240 Å²	240	115.2 Å²	115.2	91%	0.906	67%	0.673	S	S	*	*			trans	-59.4	91.4	167.1	-67.8	-179	-172	-169	1.9	104.8	P246 S250	P246-R248 PolarHBondContact O-N 2.73Å; R248-S250 PolarHBondContact O-N 3.46Å
249	T	25.6	Very low	38.7	Very low	128 Å²	128	114.4 Å²	114.4	79%	0.785	66%	0.663	S	S	*	*			trans	-60.3	85.9	155.5	33	0	0	0	0	104.3	A247 P251	A247-T249 PolarHBondContact O-N 2.8Å; T249-P251 WeakPolarHBondContact O-CD 3.46Å
250	S	26.1	Very low	42.1	Very low	85 Å²	85	110.5 Å²	110.5	59%	0.594	65%	0.647	S	S	*	*			trans	-48.2	122.7	160.1	-82.4	0	0	0	0	105.5	R248 L252	R248-S250 PolarHBondContact O-N 3.46Å; S250-L252 VanDerWaalsContact C-N 3.26Å; S250-L252 PolarHBondContact O-N 3.2Å
251	P	31.7	Very low	45.1	Very low	114 Å²	114	101.7 Å²	101.7	74%	0.74	61%	0.608	S	S	*	*			trans	-63.9	96.1	175	24.5	-29.6	0	0	0	107.2	T249	T249-P251 WeakPolarHBondContact O-CD 3.46Å
252	L	29.4	Very low	48.1	Very low	134 Å²	134	98.2 Å²	98.2	70%	0.702	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	136.5	167.2	-71.1	167.1	0	0	0	106.1	S250	S250-L252 VanDerWaalsContact C-N 3.26Å; S250-L252 PolarHBondContact O-N 3.2Å
253	V	33.1	Very low	51.3	Low	99 Å²	99	97 Å²	97	60%	0.6	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	86.3	39.7	-175.5	-149.1	0	0	0	0	116.4
254	S	39.9	Very low	54.4	Low	93 Å²	93	93.8 Å²	93.8	65%	0.65	54%	0.544	S	S	*	.	S	Bend	trans	-133.8	109	153.1	-162.6	0	0	0	0	108.9
255	G	49.4	Very low	57.4	Low	38 Å²	38	93.3 Å²	93.3	39%	0.392	53%	0.528	S	S	.	.	S	Bend	trans	118.6	3.8	169.9	0	0	0	0	0	118.9	C257 N259	G255-C257 PolarHBondContact O-N 2.99Å; G255-N259 PolarHBondContact O-OD1 3.49Å
256	H	65	Low	60.5	Low	118 Å²	118	88.3 Å²	88.3	55%	0.546	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-69.4	-32.2	-177.1	-72.7	-57.9	0	0	0	115.1	K258 N259	H256-K258 VanDerWaalsContact C-N 3.28Å; H256-K258 PolarHBondContact O-N 3.15Å; H256-N259 PolarHBondContact ND1-ND2 2.9Å; H256-N259 VanDerWaalsContact ND1-ND2 3.18Å; H256-N259 VanDerWaalsContact O-CB 3.3Å; H256-N259 WeakPolarHBondContact O-CB 3.14Å; H256-N259 PolarHBondContact O-N 3.12Å; H256-N259 VanDerWaalsContact O-N 3.14Å
257	C	75.5	Confident	63.7	Low	19 Å²	19	82.8 Å²	82.8	13%	0.128	46%	0.461	C	S	.	.	G	3₁₀ helix	trans	-72.5	-18.3	-174	64.6	0	0	0	0	114.2	G255 Q277 R278 T281 Y285	G255-C257 PolarHBondContact O-N 2.99Å; C257-Q277 WeakPolarHBondContact CB-O 3.03Å; C257-R278 WeakPolarHBondContact O-CD 3.46Å; C257-T281 HydrophobicContact CB-CG2 4.06Å; C257-Y285 PolarHBondContact SG-OH 2.76Å
258	K	86	Confident	67	Low	63 Å²	63	78.7 Å²	78.7	27%	0.274	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-98.8	2.8	173	-69.8	-164.2	176.4	-159.2	0	113.2	H256 I260 Y285 D290	H256-K258 VanDerWaalsContact C-N 3.28Å; H256-K258 PolarHBondContact O-N 3.15Å; K258-I260 PolarHBondContact O-N 2.91Å; K258-Y285 HydrophobicContact CD-CE1 4.29Å; K258-Y285 VanDerWaalsContact CE-CE1 3.42Å; K258-D290 WeakPolarHBondContact CE-O 3.26Å; K258-D290 WeakPolarHBondContact CE-OD2 3.5Å; K258-D290 PolarHBondContact NZ-O 2.71Å; K258-D290 IonicContact NZ-OD2 3.95Å; K258-D290 PolarHBondContact NZ-OD2 2.99Å
259	N	90.4	Very high	70.3	Confident	85 Å²	85	67.3 Å²	67.3	46%	0.455	38%	0.384	S	S	.	.	S	Bend	trans	-63.9	130.4	176.3	-75.8	-16.4	0	0	0	109.2	G255 H256 P261 Q277	G255-N259 PolarHBondContact O-OD1 3.49Å; H256-N259 PolarHBondContact ND1-ND2 2.9Å; H256-N259 VanDerWaalsContact ND1-ND2 3.18Å; H256-N259 VanDerWaalsContact O-CB 3.3Å; H256-N259 WeakPolarHBondContact O-CB 3.14Å; H256-N259 PolarHBondContact O-N 3.12Å; H256-N259 VanDerWaalsContact O-N 3.14Å; N259-P261 WeakPolarHBondContact O-CD 3.44Å; N259-Q277 PolarHBondContact O-OE1 2.57Å
260	I	91.5	Very high	73.6	Confident	97 Å²	97	61.3 Å²	61.3	50%	0.497	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-67.4	118.1	175.8	-62.3	166.9	0	0	0	107.6	F137 K258 Q270	F137-I260 HydrophobicContact CE2-CB 4.48Å; F137-I260 HydrophobicContact CE2-CG1 4.2Å; F137-I260 HydrophobicContact CE2-CG2 4.08Å; F137-I260 HydrophobicContact CZ-CG2 4.4Å; K258-I260 PolarHBondContact O-N 2.91Å; I260-Q270 VanDerWaalsContact CG2-NE2 3.34Å
261	P	93.1	Very high	76.9	Confident	13 Å²	13	57.3 Å²	57.3	8%	0.084	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-62.8	157.6	175.7	-20.9	34.1	0	0	0	111	N259 Q270 K273 Y274	N259-P261 WeakPolarHBondContact O-CD 3.44Å; P261-Q270 HydrophobicContact CB-CG 4.03Å; P261-Q270 HydrophobicContact CG-CG 4.5Å; P261-Q270 WeakPolarHBondContact O-CG 3.48Å; P261-Q270 PolarHBondContact O-NE2 3.48Å; P261-K273 HydrophobicContact CB-CB 3.88Å; P261-K273 HydrophobicContact CG-CB 3.88Å; P261-Y274 HydrophobicContact CG-CD2 4.39Å
262	T	90.6	Very high	79.9	Confident	70 Å²	70	51.9 Å²	51.9	43%	0.429	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-64.8	145.1	176.4	-179.8	0	0	0	0	111.8	E264	T262-E264 HydrophobicContact CG2-CB 3.94Å; T262-E264 PolarHBondContact O-N 3.01Å; T262-E264 WeakPolarHBondContact OG1-CB 3.17Å; T262-E264 PolarHBondContact OG1-N 2.96Å
263	L	90.4	Very high	83	Confident	44 Å²	44	47.7 Å²	47.7	23%	0.23	26%	0.26	C	S	.	.	S	Bend	trans	-80.7	7.5	171.6	-79	162.8	0	0	0	113.5	L145 F149 Y265 G266 F267 Q270	L145-L263 HydrophobicContact CD1-CD2 4.38Å; L145-L263 HydrophobicContact CD2-CD1 3.53Å; L145-L263 HydrophobicContact CD2-CD2 3.9Å; L145-L263 HydrophobicContact CD2-CG 4.36Å; F149-L263 HydrophobicContact CE1-CD1 4.39Å; L263-Y265 PolarHBondContact O-N 3.25Å; L263-Y265 VanDerWaalsContact O-N 3.16Å; L263-G266 PolarHBondContact O-N 3.37Å; L263-G266 VanDerWaalsContact O-N 3.16Å; L263-F267 HydrophobicContact CD2-CB 4.49Å; L263-F267 HydrophobicContact CD2-CD2 4.32Å; L263-Q270 HydrophobicContact CD2-CB 4.25Å; L263-Q270 VanDerWaalsContact CD2-CD 3.48Å; L263-Q270 HydrophobicContact CD2-CG 4.32Å
264	E	87.9	Confident	86	Confident	97 Å²	97	43.8 Å²	43.8	45%	0.453	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-30.4	-173.8	176.6	165.1	-159	0	0	114.6	R157 T262	R157-E264 IonicContact CZ-OE1 3.22Å; R157-E264 IonicContact NH2-OE1 2.69Å; R157-E264 PolarHBondContact NH2-OE1 3.26Å; R157-E264 IonicContact NH2-OE2 3.85Å; R157-E264 PolarHBondContact NH2-OE2 2.9Å; T262-E264 HydrophobicContact CG2-CB 3.94Å; T262-E264 PolarHBondContact O-N 3.01Å; T262-E264 WeakPolarHBondContact OG1-CB 3.17Å; T262-E264 PolarHBondContact OG1-N 2.96Å
265	Y	91.1	Very high	88.6	Confident	104 Å²	104	39.4 Å²	39.4	41%	0.408	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	22.5	-177.4	-57.5	-80.5	0	0	0	112.2	A46 I50 L263 V269	A46-Y265 VanDerWaalsContact CB-O 3.3Å; A46-Y265 WeakPolarHBondContact CB-O 3.41Å; I50-Y265 HydrophobicContact CD1-CD1 3.59Å; I50-Y265 HydrophobicContact CD1-CD2 4.21Å; I50-Y265 HydrophobicContact CD1-CE1 4.26Å; I50-Y265 HydrophobicContact CD1-CG 3.54Å; L263-Y265 PolarHBondContact O-N 3.25Å; L263-Y265 VanDerWaalsContact O-N 3.16Å; Y265-V269 WeakPolarHBondContact O-CB 3.35Å; Y265-V269 WeakPolarHBondContact O-CG2 3.13Å
266	G	92.6	Very high	90.6	Very high	8 Å²	8	40.5 Å²	40.5	8%	0.082	20%	0.199	C	C	.	.	H	α-helix	trans	89.4	167.1	-176.6	0	0	0	0	0	114.1	D43 L263 Q270	D43-G266 VanDerWaalsContact CG-CA 3.48Å; D43-G266 WeakPolarHBondContact OD1-CA 3.33Å; D43-G266 VanDerWaalsContact OD2-CA 3.27Å; D43-G266 WeakPolarHBondContact OD2-CA 3.38Å; L263-G266 PolarHBondContact O-N 3.37Å; L263-G266 VanDerWaalsContact O-N 3.16Å; G266-Q270 PolarHBondContact O-N 2.93Å; G266-Q270 VanDerWaalsContact O-N 3.16Å
267	F	94.9	Very high	91.7	Very high	3 Å²	3	38.2 Å²	38.2	1%	0.013	19%	0.189	C	C	.	.	H	α-helix	trans	-69.9	-39.2	-177.3	-179.9	-118.2	0	0	0	112.3	D43 F100 L106 T138 Q141 W142 L145 L263 V269 Q270 I271	D43-F267 PolarHBondContact OD2-N 3.08Å; F100-F267 HydrophobicContact CE1-CD1 4.3Å; F100-F267 HydrophobicContact CE1-CE1 4.06Å; F100-F267 HydrophobicContact CZ-CD1 4.32Å; F100-F267 HydrophobicContact CZ-CE1 4.2Å; L106-F267 HydrophobicContact CD2-CB 4.18Å; L106-F267 HydrophobicContact CD2-CD1 4.31Å; L106-F267 HydrophobicContact CD2-CG 4.29Å; T138-F267 HydrophobicContact CG2-CZ 4.06Å; Q141-F267 HydrophobicContact CB-CE2 3.88Å; W142-F267 HydrophobicContact CE3-CD1 4.21Å; W142-F267 AromaticContact CE3-CE1 3.56Å; W142-F267 HydrophobicContact CE3-CE1 3.56Å; W142-F267 AromaticContact CE3-CZ 3.73Å; W142-F267 HydrophobicContact CE3-CZ 3.73Å; W142-F267 AromaticContact CZ3-CD1 3.8Å; W142-F267 HydrophobicContact CZ3-CD1 3.8Å; W142-F267 AromaticContact CZ3-CE1 3.46Å; W142-F267 HydrophobicContact CZ3-CE1 3.46Å; W142-F267 VanDerWaalsContact CZ3-CE1 3.46Å; W142-F267 HydrophobicContact CZ3-CZ 4.12Å; L145-F267 HydrophobicContact CD1-CD2 3.35Å; L145-F267 HydrophobicContact CD1-CE2 3.57Å; L145-F267 HydrophobicContact CD1-CG 4.06Å; L145-F267 HydrophobicContact CD1-CZ 4.41Å; L263-F267 HydrophobicContact CD2-CB 4.49Å; L263-F267 HydrophobicContact CD2-CD2 4.32Å; F267-V269 PolarHBondContact O-N 3.1Å; F267-Q270 WeakPolarHBondContact O-CB 3.26Å; F267-Q270 PolarHBondContact O-N 3.21Å; F267-Q270 VanDerWaalsContact O-N 3.15Å; F267-I271 HydrophobicContact CD1-CD1 4Å; F267-I271 HydrophobicContact CE1-CD1 3.46Å; F267-I271 VanDerWaalsContact CE1-CD1 3.46Å; F267-I271 HydrophobicContact CE1-CG1 4.39Å; F267-I271 HydrophobicContact CE2-CD1 4.13Å; F267-I271 HydrophobicContact CE2-CG1 4.23Å; F267-I271 HydrophobicContact CZ-CD1 3.56Å; F267-I271 HydrophobicContact CZ-CG1 4.14Å; F267-I271 PolarHBondContact O-N 3.39Å
268	L	96	Very high	92.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61	-46.5	177.9	-61.7	-177.6	0	0	0	111.9	L40 D43 I44 V47 I69 L98 F100 Q270 I271 M272	L40-L268 HydrophobicContact CD1-CD1 4.18Å; D43-L268 HydrophobicContact CB-CB 4.44Å; D43-L268 HydrophobicContact CB-CD1 4.03Å; D43-L268 HydrophobicContact CB-CG 4.05Å; I44-L268 HydrophobicContact CG1-CD1 3.83Å; V47-L268 HydrophobicContact CG2-CB 3.67Å; I69-L268 HydrophobicContact CG2-CD1 4.1Å; I69-L268 HydrophobicContact CG2-CD2 4.42Å; L98-L268 HydrophobicContact CD1-CD2 3.86Å; F100-L268 HydrophobicContact CE2-CD2 3.73Å; F100-L268 HydrophobicContact CZ-CD2 3.79Å; L268-Q270 VanDerWaalsContact C-N 3.29Å; L268-Q270 PolarHBondContact O-N 2.91Å; L268-I271 PolarHBondContact O-N 2.9Å; L268-M272 PolarHBondContact O-N 3.35Å
269	V	95.8	Very high	92.6	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	17%	0.17	C	C	.	.	H	α-helix	trans	-64.2	-36.1	175.6	176.8	0	0	0	0	111.2	A46 V47 I50 Y51 Y265 F267 I271 M272 K273	A46-V269 HydrophobicContact CB-CG2 4.07Å; V47-V269 HydrophobicContact CB-CG2 4.37Å; V47-V269 HydrophobicContact CG2-CG2 3.58Å; I50-V269 HydrophobicContact CD1-CG1 3.76Å; I50-V269 HydrophobicContact CD1-CG2 4.04Å; Y51-V269 HydrophobicContact CE2-CG1 4.44Å; Y265-V269 WeakPolarHBondContact O-CB 3.35Å; Y265-V269 WeakPolarHBondContact O-CG2 3.13Å; F267-V269 PolarHBondContact O-N 3.1Å; V269-I271 VanDerWaalsContact C-N 3.35Å; V269-M272 PolarHBondContact O-N 2.63Å; V269-K273 HydrophobicContact CG1-CD 3.92Å; V269-K273 HydrophobicContact CG1-CG 4.26Å; V269-K273 WeakPolarHBondContact O-CB 3.19Å; V269-K273 WeakPolarHBondContact O-CG 3.33Å; V269-K273 PolarHBondContact O-N 2.75Å
270	Q	95.6	Very high	92.2	Very high	3 Å²	3	33 Å²	33	1%	0.014	17%	0.166	C	C	.	.	H	α-helix	trans	-60.7	-44.8	175.8	-163	-164	29.5	0	0	111.4	F137 I260 P261 L263 G266 F267 L268 Y274	F137-Q270 HydrophobicContact CZ-CG 4.12Å; I260-Q270 VanDerWaalsContact CG2-NE2 3.34Å; P261-Q270 HydrophobicContact CB-CG 4.03Å; P261-Q270 HydrophobicContact CG-CG 4.5Å; P261-Q270 WeakPolarHBondContact O-CG 3.48Å; P261-Q270 PolarHBondContact O-NE2 3.48Å; L263-Q270 HydrophobicContact CD2-CB 4.25Å; L263-Q270 VanDerWaalsContact CD2-CD 3.48Å; L263-Q270 HydrophobicContact CD2-CG 4.32Å; G266-Q270 PolarHBondContact O-N 2.93Å; G266-Q270 VanDerWaalsContact O-N 3.16Å; F267-Q270 WeakPolarHBondContact O-CB 3.26Å; F267-Q270 PolarHBondContact O-N 3.21Å; F267-Q270 VanDerWaalsContact O-N 3.15Å; L268-Q270 VanDerWaalsContact C-N 3.29Å; L268-Q270 PolarHBondContact O-N 2.91Å; Q270-Y274 WeakPolarHBondContact O-CB 3.42Å; Q270-Y274 PolarHBondContact O-N 3.48Å
271	I	95.9	Very high	91.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.6	-47.4	175.8	-67.5	172.4	0	0	0	110.6	L96 L98 F137 F267 L268 V269 K273 Y274 A275	L96-I271 HydrophobicContact CD1-CG2 4.09Å; L98-I271 HydrophobicContact CD1-CD1 3.74Å; L98-I271 HydrophobicContact CD2-CD1 4.01Å; F137-I271 HydrophobicContact CD1-CG1 4.48Å; F137-I271 HydrophobicContact CE1-CG1 4.16Å; F267-I271 HydrophobicContact CD1-CD1 4Å; F267-I271 HydrophobicContact CE1-CD1 3.46Å; F267-I271 VanDerWaalsContact CE1-CD1 3.46Å; F267-I271 HydrophobicContact CE1-CG1 4.39Å; F267-I271 HydrophobicContact CE2-CD1 4.13Å; F267-I271 HydrophobicContact CE2-CG1 4.23Å; F267-I271 HydrophobicContact CZ-CD1 3.56Å; F267-I271 HydrophobicContact CZ-CG1 4.14Å; F267-I271 PolarHBondContact O-N 3.39Å; L268-I271 PolarHBondContact O-N 2.9Å; V269-I271 VanDerWaalsContact C-N 3.35Å; I271-K273 PolarHBondContact O-N 3.18Å; I271-Y274 PolarHBondContact O-N 3.33Å; I271-A275 WeakPolarHBondContact O-CB 3.27Å; I271-A275 PolarHBondContact O-N 3.21Å
272	M	94.7	Very high	91.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.1	-49.5	178.8	-69.8	-168.4	70.6	0	0	111.5	V47 Y51 L71 I73 L268 V269 Y274 A275 E276	V47-M272 HydrophobicContact CG1-SD 3.58Å; V47-M272 VanDerWaalsContact CG1-SD 3.58Å; V47-M272 HydrophobicContact CG2-SD 4.17Å; Y51-M272 HydrophobicContact CD1-CE 4Å; Y51-M272 HydrophobicContact CD2-CE 3.75Å; Y51-M272 HydrophobicContact CD2-SD 3.73Å; Y51-M272 HydrophobicContact CE1-CE 4.13Å; Y51-M272 HydrophobicContact CE2-CB 3.84Å; Y51-M272 HydrophobicContact CE2-CE 3.86Å; Y51-M272 HydrophobicContact CE2-CG 4.39Å; Y51-M272 HydrophobicContact CE2-SD 3.72Å; Y51-M272 HydrophobicContact CG-CE 3.81Å; Y51-M272 HydrophobicContact CG-SD 4.37Å; L71-M272 HydrophobicContact CB-CG 4.14Å; L71-M272 HydrophobicContact CB-SD 4.19Å; L71-M272 HydrophobicContact CD1-CG 3.78Å; L71-M272 HydrophobicContact CD1-SD 4.48Å; L71-M272 HydrophobicContact CD2-CG 4.41Å; L71-M272 HydrophobicContact CD2-SD 4.04Å; L71-M272 HydrophobicContact CG-CG 4.34Å; L71-M272 HydrophobicContact CG-SD 4.47Å; I73-M272 HydrophobicContact CG1-CE 4.42Å; L268-M272 PolarHBondContact O-N 3.35Å; V269-M272 PolarHBondContact O-N 2.63Å; M272-Y274 VanDerWaalsContact C-N 3.3Å; M272-Y274 PolarHBondContact O-N 3.49Å; M272-A275 PolarHBondContact O-N 2.91Å; M272-E276 WeakPolarHBondContact O-CG 3.47Å; M272-E276 PolarHBondContact O-N 2.87Å
273	K	94.6	Very high	90.6	Very high	47 Å²	47	26.5 Å²	26.5	20%	0.204	13%	0.129	C	C	.	.	H	α-helix	trans	-60.7	-39.5	178.2	-74.3	178.5	178.1	169.5	0	112.1	Y51 P261 V269 I271 Q277	Y51-K273 WeakPolarHBondContact OH-CG 3.36Å; P261-K273 HydrophobicContact CB-CB 3.88Å; P261-K273 HydrophobicContact CG-CB 3.88Å; V269-K273 HydrophobicContact CG1-CD 3.92Å; V269-K273 HydrophobicContact CG1-CG 4.26Å; V269-K273 WeakPolarHBondContact O-CB 3.19Å; V269-K273 WeakPolarHBondContact O-CG 3.33Å; V269-K273 PolarHBondContact O-N 2.75Å; I271-K273 PolarHBondContact O-N 3.18Å; K273-Q277 WeakPolarHBondContact O-CB 3.5Å; K273-Q277 WeakPolarHBondContact O-CG 3.22Å; K273-Q277 PolarHBondContact O-N 2.96Å; K273-Q277 VanDerWaalsContact O-N 3.08Å
274	Y	95.6	Very high	90	Very high	17 Å²	17	28 Å²	28	7%	0.067	14%	0.135	C	C	.	.	H	α-helix	trans	-68	-42.3	178.1	-172.5	-114.3	0	0	0	111	I133 L134 F137 P261 Q270 I271 M272 Q277 R278	I133-Y274 HydrophobicContact CG2-CE1 3.92Å; L134-Y274 HydrophobicContact CD2-CD1 3.81Å; L134-Y274 HydrophobicContact CD2-CE1 4.39Å; F137-Y274 HydrophobicContact CB-CD1 3.91Å; F137-Y274 HydrophobicContact CB-CE1 3.57Å; F137-Y274 AromaticContact CD1-CD1 3.77Å; F137-Y274 HydrophobicContact CD1-CD1 3.77Å; F137-Y274 HydrophobicContact CD1-CE1 4.29Å; F137-Y274 HydrophobicContact CD1-CG 4.31Å; F137-Y274 AromaticContact CD2-CD1 3.57Å; F137-Y274 HydrophobicContact CD2-CD1 3.57Å; F137-Y274 HydrophobicContact CD2-CD2 4.15Å; F137-Y274 AromaticContact CD2-CE1 3.5Å; F137-Y274 HydrophobicContact CD2-CE1 3.5Å; F137-Y274 VanDerWaalsContact CD2-CE1 3.5Å; F137-Y274 HydrophobicContact CD2-CE2 4.06Å; F137-Y274 AromaticContact CD2-CG 3.9Å; F137-Y274 HydrophobicContact CD2-CG 3.9Å; F137-Y274 AromaticContact CD2-CZ 3.75Å; F137-Y274 HydrophobicContact CE1-CD1 4.16Å; F137-Y274 HydrophobicContact CE1-CG 4.24Å; F137-Y274 AromaticContact CE2-CD1 3.97Å; F137-Y274 HydrophobicContact CE2-CD1 3.97Å; F137-Y274 AromaticContact CE2-CD2 3.95Å; F137-Y274 HydrophobicContact CE2-CD2 3.95Å; F137-Y274 HydrophobicContact CE2-CE1 4.25Å; F137-Y274 HydrophobicContact CE2-CE2 4.21Å; F137-Y274 AromaticContact CE2-CG 3.81Å; F137-Y274 HydrophobicContact CE2-CG 3.81Å; F137-Y274 AromaticContact CG-CD1 3.45Å; F137-Y274 HydrophobicContact CG-CD1 3.45Å; F137-Y274 VanDerWaalsContact CG-CD1 3.45Å; F137-Y274 AromaticContact CG-CE1 3.52Å; F137-Y274 HydrophobicContact CG-CE1 3.52Å; F137-Y274 HydrophobicContact CG-CG 4.14Å; F137-Y274 HydrophobicContact CZ-CD1 4.25Å; F137-Y274 HydrophobicContact CZ-CD2 4.46Å; F137-Y274 AromaticContact CZ-CG 3.99Å; F137-Y274 HydrophobicContact CZ-CG 3.99Å; P261-Y274 HydrophobicContact CG-CD2 4.39Å; Q270-Y274 WeakPolarHBondContact O-CB 3.42Å; Q270-Y274 PolarHBondContact O-N 3.48Å; I271-Y274 PolarHBondContact O-N 3.33Å; M272-Y274 VanDerWaalsContact C-N 3.3Å; M272-Y274 PolarHBondContact O-N 3.49Å; Y274-Q277 PolarHBondContact O-N 3.07Å; Y274-R278 HydrophobicContact CD1-CG 4.17Å; Y274-R278 HydrophobicContact CD2-CG 4.3Å; Y274-R278 HydrophobicContact CE1-CG 3.84Å; Y274-R278 HydrophobicContact CE2-CG 4.01Å; Y274-R278 HydrophobicContact CG-CG 4.4Å; Y274-R278 WeakPolarHBondContact O-CB 3.18Å; Y274-R278 VanDerWaalsContact O-CG 3.25Å; Y274-R278 WeakPolarHBondContact O-CG 3.4Å; Y274-R278 PolarHBondContact O-N 3.03Å
275	A	94	Very high	89.8	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.8	-47.2	175.7	0	0	0	0	0	112	I73 L96 L134 I271 M272 Q277 R278 I279	I73-A275 HydrophobicContact CD1-CB 3.3Å; L96-A275 HydrophobicContact CD1-CB 3.91Å; L134-A275 HydrophobicContact CD1-CB 4.08Å; L134-A275 HydrophobicContact CD2-CB 3.93Å; I271-A275 WeakPolarHBondContact O-CB 3.27Å; I271-A275 PolarHBondContact O-N 3.21Å; M272-A275 PolarHBondContact O-N 2.91Å; A275-Q277 VanDerWaalsContact C-N 3.27Å; A275-Q277 PolarHBondContact O-N 2.71Å; A275-R278 PolarHBondContact O-N 3.23Å; A275-R278 VanDerWaalsContact O-N 3.11Å; A275-I279 HydrophobicContact CB-CD1 4.47Å; A275-I279 WeakPolarHBondContact O-CB 3.39Å; A275-I279 WeakPolarHBondContact O-CD1 3.26Å; A275-I279 WeakPolarHBondContact O-CG1 3.38Å; A275-I279 PolarHBondContact O-N 3.3Å
276	E	91	Very high	89.6	Confident	61 Å²	61	19.2 Å²	19.2	29%	0.285	10%	0.097	S	C	.	.	H	α-helix	trans	-59.7	-35	176.1	-72.2	-178.6	141.6	0	0	113	Y51 I73 M272 P280	Y51-E276 WeakPolarHBondContact CE1-OE1 3.38Å; Y51-E276 VanDerWaalsContact CE1-OE2 3.31Å; Y51-E276 WeakPolarHBondContact CE1-OE2 3.43Å; Y51-E276 PolarHBondContact OH-OE2 3.11Å; I73-E276 HydrophobicContact CG2-CG 4Å; M272-E276 WeakPolarHBondContact O-CG 3.47Å; M272-E276 PolarHBondContact O-N 2.87Å; E276-P280 WeakPolarHBondContact O-CD 3.3Å
277	Q	89.8	Confident	89.4	Confident	71 Å²	71	19 Å²	19	33%	0.332	9%	0.094	S	C	.	.	H	α-helix	trans	-72.5	-36.5	174.7	-72.6	168.3	12.3	0	0	112.8	C257 N259 K273 Y274 A275	C257-Q277 WeakPolarHBondContact CB-O 3.03Å; N259-Q277 PolarHBondContact O-OE1 2.57Å; K273-Q277 WeakPolarHBondContact O-CB 3.5Å; K273-Q277 WeakPolarHBondContact O-CG 3.22Å; K273-Q277 PolarHBondContact O-N 2.96Å; K273-Q277 VanDerWaalsContact O-N 3.08Å; Y274-Q277 PolarHBondContact O-N 3.07Å; A275-Q277 VanDerWaalsContact C-N 3.27Å; A275-Q277 PolarHBondContact O-N 2.71Å
278	R	90	Very high	89.1	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-78.9	-44.1	-177.5	-68.6	-62.3	-64.4	129.1	-5.5	112.2	I133 C257 Y274 A275 P280 T281 L282 Y285 D290	I133-R278 HydrophobicContact CG2-CG 4.27Å; C257-R278 WeakPolarHBondContact O-CD 3.46Å; Y274-R278 HydrophobicContact CD1-CG 4.17Å; Y274-R278 HydrophobicContact CD2-CG 4.3Å; Y274-R278 HydrophobicContact CE1-CG 3.84Å; Y274-R278 HydrophobicContact CE2-CG 4.01Å; Y274-R278 HydrophobicContact CG-CG 4.4Å; Y274-R278 WeakPolarHBondContact O-CB 3.18Å; Y274-R278 VanDerWaalsContact O-CG 3.25Å; Y274-R278 WeakPolarHBondContact O-CG 3.4Å; Y274-R278 PolarHBondContact O-N 3.03Å; A275-R278 PolarHBondContact O-N 3.23Å; A275-R278 VanDerWaalsContact O-N 3.11Å; R278-P280 VanDerWaalsContact C-CD 3.5Å; R278-T281 PolarHBondContact NH1-OG1 2.95Å; R278-T281 CarbonylContact O-C 3.47Å; R278-T281 PolarHBondContact O-N 2.89Å; R278-T281 PolarHBondContact O-OG1 3.47Å; R278-L282 HydrophobicContact CB-CD2 4.45Å; R278-L282 PolarHBondContact O-N 3.25Å; R278-L282 VanDerWaalsContact O-N 3.13Å; R278-Y285 VanDerWaalsContact NH1-CD2 3.25Å; R278-Y285 VanDerWaalsContact NH2-CG 3.33Å; R278-D290 IonicContact CZ-OD1 3.49Å; R278-D290 IonicContact NH2-OD1 2.71Å; R278-D290 PolarHBondContact NH2-OD1 3.14Å; R278-D290 IonicContact NH2-OD2 2.64Å
279	I	89.1	Confident	88.8	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-47.1	-51.8	-172.8	-74.3	160.5	0	0	0	113.4	I73 I75 F77 L78 W86 I94 L130 A275 T281 L282	I73-I279 HydrophobicContact CD1-CD1 4.21Å; I73-I279 HydrophobicContact CG2-CD1 3.84Å; I75-I279 HydrophobicContact CG2-CG2 4.46Å; F77-I279 HydrophobicContact CE2-CG2 4.11Å; F77-I279 HydrophobicContact CZ-CB 4.29Å; F77-I279 HydrophobicContact CZ-CG2 3.77Å; L78-I279 HydrophobicContact CD1-CG2 4.36Å; L78-I279 HydrophobicContact CD2-CG2 4.32Å; W86-I279 VanDerWaalsContact CH2-O 3.27Å; W86-I279 WeakPolarHBondContact CH2-O 3.21Å; W86-I279 HydrophobicContact CZ3-CG2 4.44Å; W86-I279 WeakPolarHBondContact CZ3-O 3.49Å; I94-I279 HydrophobicContact CD1-CD1 4.22Å; L130-I279 HydrophobicContact CD1-CG1 4.19Å; L130-I279 HydrophobicContact CD2-CD1 4.1Å; L130-I279 HydrophobicContact CD2-CG1 3.89Å; A275-I279 HydrophobicContact CB-CD1 4.47Å; A275-I279 WeakPolarHBondContact O-CB 3.39Å; A275-I279 WeakPolarHBondContact O-CD1 3.26Å; A275-I279 WeakPolarHBondContact O-CG1 3.38Å; A275-I279 PolarHBondContact O-N 3.3Å; I279-T281 PolarHBondContact O-N 3.18Å; I279-T281 VanDerWaalsContact O-N 3.13Å; I279-L282 HydrophobicContact CG1-CD1 4.49Å; I279-L282 PolarHBondContact O-N 2.79Å
280	P	81.2	Confident	88.6	Confident	57 Å²	57	22.6 Å²	22.6	37%	0.37	12%	0.117	S	C	.	.	G	3₁₀ helix	trans	-64.9	-19.2	-177.9	-14.9	24.9	0	0	0	114.2	F77 E276 R278	F77-P280 HydrophobicContact CD2-CG 4.42Å; F77-P280 HydrophobicContact CE2-CB 4.37Å; F77-P280 HydrophobicContact CE2-CG 3.69Å; F77-P280 HydrophobicContact CZ-CG 4.26Å; E276-P280 WeakPolarHBondContact O-CD 3.3Å; R278-P280 VanDerWaalsContact C-CD 3.5Å
281	T	80.9	Confident	88.2	Confident	22 Å²	22	27.6 Å²	27.6	14%	0.135	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-111.8	2.2	-172.8	63.9	0	0	0	0	112.8	C257 R278 I279 N283 E284 Y285	C257-T281 HydrophobicContact CB-CG2 4.06Å; R278-T281 PolarHBondContact NH1-OG1 2.95Å; R278-T281 CarbonylContact O-C 3.47Å; R278-T281 PolarHBondContact O-N 2.89Å; R278-T281 PolarHBondContact O-OG1 3.47Å; I279-T281 PolarHBondContact O-N 3.18Å; I279-T281 VanDerWaalsContact O-N 3.13Å; T281-N283 PolarHBondContact O-N 3.34Å; T281-N283 VanDerWaalsContact O-N 3.12Å; T281-E284 VanDerWaalsContact O-CB 3.3Å; T281-E284 WeakPolarHBondContact O-CB 3.4Å; T281-E284 PolarHBondContact O-N 3.31Å; T281-Y285 VanDerWaalsContact O-CD2 3.26Å; T281-Y285 WeakPolarHBondContact O-CD2 3.38Å
282	L	84.3	Confident	87.3	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-55.2	-36.6	-172.5	-77.7	175	0	0	0	113.3	L126 Q129 L130 I133 R278 I279 E284 Y285	L126-L282 HydrophobicContact CD1-CB 4.01Å; L126-L282 HydrophobicContact CD1-CD1 3.56Å; L126-L282 HydrophobicContact CD1-CG 4.43Å; L126-L282 HydrophobicContact CD2-CD1 4.07Å; L126-L282 HydrophobicContact CG-CD1 3.79Å; Q129-L282 HydrophobicContact CG-CD2 4.31Å; Q129-L282 PolarHBondContact NE2-O 2.71Å; L130-L282 HydrophobicContact CB-CD1 4.35Å; L130-L282 HydrophobicContact CD1-CD1 4.37Å; I133-L282 HydrophobicContact CD1-CD2 3.33Å; R278-L282 HydrophobicContact CB-CD2 4.45Å; R278-L282 PolarHBondContact O-N 3.25Å; R278-L282 VanDerWaalsContact O-N 3.13Å; I279-L282 HydrophobicContact CG1-CD1 4.49Å; I279-L282 PolarHBondContact O-N 2.79Å; L282-E284 VanDerWaalsContact C-N 3.26Å; L282-E284 PolarHBondContact O-N 2.81Å; L282-Y285 PolarHBondContact O-N 3.17Å; L282-Y285 VanDerWaalsContact O-O 3.09Å
283	N	77.5	Confident	86.1	Confident	21 Å²	21	30.9 Å²	30.9	11%	0.112	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-72	-15.2	178.7	65.6	-52.7	0	0	0	114.5	W86 T281 M300	W86-N283 HydrophobicContact CZ2-CB 3.93Å; T281-N283 PolarHBondContact O-N 3.34Å; T281-N283 VanDerWaalsContact O-N 3.12Å; N283-M300 WeakPolarHBondContact CB-O 3.46Å; N283-M300 PolarHBondContact ND2-O 3.05Å
284	E	77.7	Confident	84.5	Confident	77 Å²	77	31.6 Å²	31.6	36%	0.36	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-80.4	-11	175.3	-54.2	-178.4	161.2	0	0	112.3	T281 L282 H293	T281-E284 VanDerWaalsContact O-CB 3.3Å; T281-E284 WeakPolarHBondContact O-CB 3.4Å; T281-E284 PolarHBondContact O-N 3.31Å; L282-E284 VanDerWaalsContact C-N 3.26Å; L282-E284 PolarHBondContact O-N 2.81Å; E284-H293 PolarHBondContact O-CD2 3.07Å; E284-H293 VanDerWaalsContact O-CD2 3.31Å; E284-H293 PolarHBondContact O-N 3.24Å; E284-H293 VanDerWaalsContact O-N 3.07Å
285	Y	84.4	Confident	82.5	Confident	16 Å²	16	31.7 Å²	31.7	6%	0.063	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-119.9	146.7	-176.1	-64	-87	0	0	0	111.5	Q129 C257 K258 R278 T281 L282 V287 D290 Q292 H293	Q129-Y285 PolarHBondContact NE2-O 3.1Å; C257-Y285 PolarHBondContact SG-OH 2.76Å; K258-Y285 HydrophobicContact CD-CE1 4.29Å; K258-Y285 VanDerWaalsContact CE-CE1 3.42Å; R278-Y285 VanDerWaalsContact NH1-CD2 3.25Å; R278-Y285 VanDerWaalsContact NH2-CG 3.33Å; T281-Y285 VanDerWaalsContact O-CD2 3.26Å; T281-Y285 WeakPolarHBondContact O-CD2 3.38Å; L282-Y285 PolarHBondContact O-N 3.17Å; L282-Y285 VanDerWaalsContact O-O 3.09Å; Y285-V287 PolarHBondContact O-N 3.11Å; Y285-D290 WeakPolarHBondContact CD1-O 3.4Å; Y285-Q292 HydrophobicContact CD1-CB 4.05Å; Y285-Q292 HydrophobicContact CE1-CB 3.87Å; Y285-Q292 HydrophobicContact CE1-CG 4.22Å; Y285-H293 PolarHBondContact O-NE2 3.37Å
286	C	86.8	Confident	80.5	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-63.1	128.6	178.3	179.5	0	0	0	0	111.6	V288 C289 D290 E291 A304 C306	C286-V288 PolarHBondContact O-N 2.82Å; C286-V288 VanDerWaalsContact O-N 3.08Å; C286-V288 PolarHBondContact SG-N 3.27Å; C286-V288 VanDerWaalsContact SG-N 3.35Å; C286-C289 WeakPolarHBondContact CB-SG 3.44Å; C286-C289 PolarHBondContact SG-SG 2.94Å; C286-D290 WeakPolarHBondContact O-CA 3.27Å; C286-D290 PolarHBondContact O-N 3.47Å; C286-E291 WeakPolarHBondContact CB-O 3.46Å; C286-E291 PolarHBondContact N-O 3.18Å; C286-A304 WeakPolarHBondContact CA-O 3.31Å; C286-C306 HydrophobicContact CB-CB 3.82Å; C286-C306 PolarHBondContact SG-N 2.78Å; C286-C306 PolarHBondContact SG-SG 2.89Å
287	V	88.7	Confident	78.3	Confident	3 Å²	3	31.2 Å²	31.2	2%	0.018	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.6	175.7	-59.3	0	0	0	0	113.2	Q129 Y285 P303 A304 V305 M321 A324 A325	Q129-V287 HydrophobicContact CB-CG1 4.47Å; Q129-V287 HydrophobicContact CG-CB 4.38Å; Q129-V287 HydrophobicContact CG-CG1 4.2Å; Y285-V287 PolarHBondContact O-N 3.11Å; V287-P303 HydrophobicContact CG1-CB 3.39Å; V287-A304 PolarHBondContact N-O 2.89Å; V287-V305 HydrophobicContact CG2-CG2 3.69Å; V287-M321 HydrophobicContact CB-CB 4.08Å; V287-M321 HydrophobicContact CB-CE 4.04Å; V287-M321 HydrophobicContact CB-CG 4.26Å; V287-M321 HydrophobicContact CG2-CB 3.58Å; V287-M321 HydrophobicContact CG2-CG 4.1Å; V287-M321 WeakPolarHBondContact O-CE 3.22Å; V287-A324 HydrophobicContact CB-CB 4.47Å; V287-A324 HydrophobicContact CG1-CB 4.24Å; V287-A325 HydrophobicContact CB-CB 4.48Å; V287-A325 HydrophobicContact CG1-CB 4.05Å; V287-A325 HydrophobicContact CG2-CB 3.62Å
288	V	88	Confident	76.2	Confident	15 Å²	15	29 Å²	29	9%	0.091	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-47.8	-176	-178.6	0	0	0	0	112.7	K132 C286 V305 C311 V320 M321	K132-V288 PolarHBondContact NZ-O 2.64Å; C286-V288 PolarHBondContact O-N 2.82Å; C286-V288 VanDerWaalsContact O-N 3.08Å; C286-V288 PolarHBondContact SG-N 3.27Å; C286-V288 VanDerWaalsContact SG-N 3.35Å; V288-V305 HydrophobicContact CG2-CG1 3.9Å; V288-V305 HydrophobicContact CG2-CG2 4.03Å; V288-C311 HydrophobicContact CB-CB 4.08Å; V288-C311 HydrophobicContact CG1-CB 4.2Å; V288-C311 HydrophobicContact CG2-CB 4.49Å; V288-V320 HydrophobicContact CG1-CG1 4.38Å; V288-V320 HydrophobicContact CG2-CG1 4.49Å; V288-M321 HydrophobicContact CG2-CG 4.33Å
289	C	90.1	Very high	74.1	Confident	42 Å²	42	31.6 Å²	31.6	28%	0.284	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	1.9	-173.1	57.8	0	0	0	0	113.7	C286 E291 R308 C311	C286-C289 WeakPolarHBondContact CB-SG 3.44Å; C286-C289 PolarHBondContact SG-SG 2.94Å; C289-E291 PolarHBondContact O-N 3.32Å; C289-R308 PolarHBondContact SG-NH1 3.42Å; C289-R308 PolarHBondContact SG-NH2 3.48Å; C289-C311 PolarHBondContact SG-SG 3.35Å
290	D	90.6	Very high	72.6	Confident	22 Å²	22	33.8 Å²	33.8	12%	0.118	19%	0.187	C	C	.	.			trans	58	6.2	-179.5	-168.3	53.9	0	0	0	114.9	I133 K258 R278 Y285 C286	I133-D290 WeakPolarHBondContact CD1-OD1 3.27Å; I133-D290 HydrophobicContact CG1-CB 4.45Å; K258-D290 WeakPolarHBondContact CE-O 3.26Å; K258-D290 WeakPolarHBondContact CE-OD2 3.5Å; K258-D290 PolarHBondContact NZ-O 2.71Å; K258-D290 IonicContact NZ-OD2 3.95Å; K258-D290 PolarHBondContact NZ-OD2 2.99Å; R278-D290 IonicContact CZ-OD1 3.49Å; R278-D290 IonicContact NH2-OD1 2.71Å; R278-D290 PolarHBondContact NH2-OD1 3.14Å; R278-D290 IonicContact NH2-OD2 2.64Å; Y285-D290 WeakPolarHBondContact CD1-O 3.4Å; C286-D290 WeakPolarHBondContact O-CA 3.27Å; C286-D290 PolarHBondContact O-N 3.47Å
291	E	86.9	Confident	71.7	Confident	108 Å²	108	34.6 Å²	34.6	51%	0.505	19%	0.188	S	C	.	.	P	Polyproline II helix	trans	-82.7	151.2	173.6	-70.3	-65.2	170.9	0	0	111.3	C286 C289	C286-E291 WeakPolarHBondContact CB-O 3.46Å; C286-E291 PolarHBondContact N-O 3.18Å; C289-E291 PolarHBondContact O-N 3.32Å
292	Q	78	Confident	71.2	Confident	63 Å²	63	37.3 Å²	37.3	29%	0.294	20%	0.198	S	C	.	.	B	Isolated β-bridge	trans	-63.5	145.9	-172.8	-160	176.4	28.5	0	0	112.2	Y285 Q296	Y285-Q292 HydrophobicContact CD1-CB 4.05Å; Y285-Q292 HydrophobicContact CE1-CB 3.87Å; Y285-Q292 HydrophobicContact CE1-CG 4.22Å; Q292-Q296 HydrophobicContact CG-CG 4.43Å; Q292-Q296 VanDerWaalsContact OE1-NE2 3.16Å
293	H	68.9	Low	70.9	Confident	7 Å²	7	37.7 Å²	37.7	3%	0.032	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-67.4	139.4	171.9	-68.3	-70.6	0	0	0	111.6	E284 Y285 F295 A304 A329	E284-H293 PolarHBondContact O-CD2 3.07Å; E284-H293 VanDerWaalsContact O-CD2 3.31Å; E284-H293 PolarHBondContact O-N 3.24Å; E284-H293 VanDerWaalsContact O-N 3.07Å; Y285-H293 PolarHBondContact O-NE2 3.37Å; H293-F295 VanDerWaalsContact C-N 3.26Å; H293-F295 PolarHBondContact O-N 3.19Å; H293-A304 PolarHBondContact CE1-O 2.99Å; H293-A304 PolarHBondContact NE2-O 3.08Å; H293-A329 WeakPolarHBondContact ND1-CB 3.49Å
294	V	60.7	Low	71	Confident	62 Å²	62	36.7 Å²	36.7	38%	0.376	20%	0.196	S	C	.	.	S	Bend	trans	-65.8	-33.4	178.5	-178.8	0	0	0	0	111.3	A332	V294-A332 HydrophobicContact CG1-CB 3.91Å
295	F	54	Low	71.2	Confident	18 Å²	18	33 Å²	33	8%	0.079	18%	0.178	C	C	.	.			trans	-103.2	100.4	165.2	-85.3	-45.2	0	0	0	110.2	H293 N297 T330 G331 A332 V335 I392 T396	H293-F295 VanDerWaalsContact C-N 3.26Å; H293-F295 PolarHBondContact O-N 3.19Å; F295-N297 PolarHBondContact O-N 3.33Å; F295-T330 WeakPolarHBondContact CD2-O 3.36Å; F295-G331 WeakPolarHBondContact CE2-O 3.46Å; F295-A332 HydrophobicContact CD2-CB 4.39Å; F295-A332 VanDerWaalsContact CD2-N 3.26Å; F295-A332 HydrophobicContact CE2-CB 4.12Å; F295-A332 WeakPolarHBondContact CE2-O 3.37Å; F295-A332 VanDerWaalsContact CZ-C 3.41Å; F295-A332 HydrophobicContact CZ-CB 4.18Å; F295-A332 WeakPolarHBondContact CZ-O 3.47Å; F295-V335 HydrophobicContact CD2-CB 4.28Å; F295-V335 HydrophobicContact CD2-CG2 3.66Å; F295-V335 HydrophobicContact CE2-CB 3.27Å; F295-V335 HydrophobicContact CE2-CG1 4.27Å; F295-V335 HydrophobicContact CE2-CG2 3.11Å; F295-V335 HydrophobicContact CZ-CB 3.53Å; F295-V335 HydrophobicContact CZ-CG1 4.19Å; F295-V335 HydrophobicContact CZ-CG2 3.87Å; F295-I392 HydrophobicContact CE1-CD1 4.09Å; F295-I392 HydrophobicContact CE1-CG2 3.59Å; F295-I392 HydrophobicContact CZ-CB 4.36Å; F295-I392 HydrophobicContact CZ-CD1 3.93Å; F295-I392 HydrophobicContact CZ-CG1 4.15Å; F295-I392 HydrophobicContact CZ-CG2 3.41Å; F295-I392 VanDerWaalsContact CZ-CG2 3.41Å; F295-T396 HydrophobicContact CE1-CG2 4.41Å
296	Q	51.2	Low	71	Confident	47 Å²	47	32.5 Å²	32.5	22%	0.22	18%	0.177	C	C	.	.			trans	-70.9	-7.7	168.3	-56.5	173.6	5.7	0	0	111.9	Q292 S399 Y400	Q292-Q296 HydrophobicContact CG-CG 4.43Å; Q292-Q296 VanDerWaalsContact OE1-NE2 3.16Å; Q296-S399 VanDerWaalsContact OE1-CA 3.27Å; Q296-Y400 WeakPolarHBondContact O-CB 3.13Å; Q296-Y400 WeakPolarHBondContact O-CD2 3.49Å
297	N	45.3	Very low	70.4	Confident	4 Å²	4	35 Å²	35	2%	0.021	19%	0.193	C	C	.	.			trans	-99.1	-1.7	-154.5	-58.7	-28.5	0	0	0	117.8	F295 M395 Y400	F295-N297 PolarHBondContact O-N 3.33Å; N297-M395 HydrophobicContact CB-CE 3.51Å; N297-M395 WeakPolarHBondContact ND2-CB 3.44Å; N297-M395 WeakPolarHBondContact ND2-CE 3.42Å; N297-M395 PolarHBondContact ND2-O 3.29Å; N297-Y400 VanDerWaalsContact CA-CD2 3.48Å; N297-Y400 HydrophobicContact CB-CD2 4.08Å; N297-Y400 HydrophobicContact CB-CE2 4.44Å; N297-Y400 WeakPolarHBondContact O-CE2 3.46Å; N297-Y400 WeakPolarHBondContact OD1-CA 3.42Å; N297-Y400 WeakPolarHBondContact OD1-CD2 3.39Å
298	G	45.7	Very low	69.8	Low	24 Å²	24	39.5 Å²	39.5	25%	0.247	21%	0.209	C	C	.	.	S	Bend	trans	-93.5	122.3	146.4	0	0	0	0	0	104.6	M300	G298-M300 PolarHBondContact O-N 3.29Å
299	S	45.3	Very low	69.1	Low	55 Å²	55	44.7 Å²	44.7	39%	0.385	23%	0.232	S	C	.	.			trans	-48.6	99.1	152.4	-59.9	0	0	0	0	105.1	L301 Y400	S299-L301 PolarHBondContact O-N 3.07Å; S299-Y400 WeakPolarHBondContact OG-CE1 3.47Å; S299-Y400 PolarHBondContact OG-OH 2.79Å; S299-Y400 VanDerWaalsContact OG-OH 3.13Å
300	M	58.2	Low	68.7	Low	46 Å²	46	49.1 Å²	49.1	23%	0.227	25%	0.253	C	S	.	.			trans	-67	92.7	171.1	-67.9	-143.6	69.1	0	0	101.7	N283 G298 K302 A304 A329	N283-M300 WeakPolarHBondContact CB-O 3.46Å; N283-M300 PolarHBondContact ND2-O 3.05Å; G298-M300 PolarHBondContact O-N 3.29Å; M300-K302 CarbonylContact C-O 3.29Å; M300-K302 VanDerWaalsContact CB-O 3.32Å; M300-K302 WeakPolarHBondContact CB-O 3.47Å; M300-K302 PolarHBondContact O-N 3.31Å; M300-A304 HydrophobicContact CE-CB 3.08Å; M300-A304 HydrophobicContact SD-CB 3.33Å; M300-A304 WeakPolarHBondContact SD-CB 3.38Å; M300-A329 HydrophobicContact CE-CB 4.3Å; M300-A329 HydrophobicContact SD-CB 3.56Å; M300-A329 VanDerWaalsContact SD-CB 3.56Å
301	L	61.4	Low	68.3	Low	74 Å²	74	48.4 Å²	48.4	39%	0.387	25%	0.249	S	C	.	.	S	Bend	trans	-61.6	-21	-176.1	-170	70.6	0	0	0	108.8	V82 A85 W86 S299	V82-L301 HydrophobicContact CG2-CD1 4Å; A85-L301 HydrophobicContact CB-CB 4.37Å; A85-L301 HydrophobicContact CB-CD1 4.38Å; A85-L301 HydrophobicContact CB-CD2 3.55Å; A85-L301 HydrophobicContact CB-CG 3.42Å; A85-L301 VanDerWaalsContact CB-CG 3.42Å; W86-L301 PolarHBondContact NE1-O 3.39Å; S299-L301 PolarHBondContact O-N 3.07Å
302	K	70.5	Confident	67.6	Low	80 Å²	80	44.2 Å²	44.2	35%	0.348	23%	0.231	S	C	.	.	S	Bend	trans	-114.3	148.3	170.8	-59.3	-174.1	179.2	-175.3	0	110.9	A85 M300 E326	A85-K302 HydrophobicContact CB-CG 4.2Å; M300-K302 CarbonylContact C-O 3.29Å; M300-K302 VanDerWaalsContact CB-O 3.32Å; M300-K302 WeakPolarHBondContact CB-O 3.47Å; M300-K302 PolarHBondContact O-N 3.31Å; K302-E326 IonicContact NZ-OE1 3.94Å; K302-E326 PolarHBondContact NZ-OE1 3.34Å; K302-E326 IonicContact NZ-OE2 3.88Å; K302-E326 PolarHBondContact NZ-OE2 3.16Å
303	P	78.7	Confident	67.3	Low	7 Å²	7	44.4 Å²	44.4	5%	0.045	23%	0.231	C	C	.	.			trans	-55.7	149	169.5	-21.5	32.1	0	0	0	112.3	L126 V287 A325	L126-P303 HydrophobicContact CD1-CG 3.65Å; V287-P303 HydrophobicContact CG1-CB 3.39Å; P303-A325 WeakPolarHBondContact O-CA 3.49Å; P303-A325 WeakPolarHBondContact O-CB 3.35Å
304	A	80.6	Confident	67.6	Low	1 Å²	1	45.4 Å²	45.4	1%	0.008	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-147.1	168.5	-174.7	0	0	0	0	0	113.9	C286 V287 H293 M300 E327 A329	C286-A304 WeakPolarHBondContact CA-O 3.31Å; V287-A304 PolarHBondContact N-O 2.89Å; H293-A304 PolarHBondContact CE1-O 2.99Å; H293-A304 PolarHBondContact NE2-O 3.08Å; M300-A304 HydrophobicContact CE-CB 3.08Å; M300-A304 HydrophobicContact SD-CB 3.33Å; M300-A304 WeakPolarHBondContact SD-CB 3.38Å; A304-E327 WeakPolarHBondContact CA-O 3.46Å; A304-E327 WeakPolarHBondContact CB-O 3.11Å; A304-A329 HydrophobicContact CB-CB 4.5Å
305	V	81.1	Confident	68.3	Low	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-94.8	134	175.7	-174.8	0	0	0	0	109.3	V287 V288 C311 F315 A325 E327 V328 A329	V287-V305 HydrophobicContact CG2-CG2 3.69Å; V288-V305 HydrophobicContact CG2-CG1 3.9Å; V288-V305 HydrophobicContact CG2-CG2 4.03Å; V305-C311 HydrophobicContact CG1-CB 3.72Å; V305-C311 WeakPolarHBondContact CG1-O 3.36Å; V305-F315 HydrophobicContact CB-CB 4.45Å; V305-F315 HydrophobicContact CB-CG 4.44Å; V305-F315 HydrophobicContact CG1-CB 4.12Å; V305-F315 HydrophobicContact CG2-CB 3.83Å; V305-F315 HydrophobicContact CG2-CD1 4.13Å; V305-F315 HydrophobicContact CG2-CD2 3.52Å; V305-F315 HydrophobicContact CG2-CE2 4.02Å; V305-F315 HydrophobicContact CG2-CG 3.57Å; V305-A325 HydrophobicContact CG2-CB 4.02Å; V305-E327 PolarHBondContact N-O 2.77Å; V305-V328 HydrophobicContact CB-CG2 4.15Å; V305-V328 CarbonylContact O-C 3.44Å; V305-V328 WeakPolarHBondContact O-CA 3.25Å; V305-V328 WeakPolarHBondContact O-CG1 3.42Å; V305-A329 WeakPolarHBondContact O-CB 3.5Å; V305-A329 PolarHBondContact O-N 2.82Å
306	C	80.8	Confident	69.2	Low	5 Å²	5	47.1 Å²	47.1	3%	0.034	24%	0.239	C	C	.	.			trans	-70.2	166.5	176	68	0	0	0	0	112.4	C286 R308 C311 V312	C286-C306 HydrophobicContact CB-CB 3.82Å; C286-C306 PolarHBondContact SG-N 2.78Å; C286-C306 PolarHBondContact SG-SG 2.89Å; C306-R308 PolarHBondContact O-N 3.27Å; C306-R308 VanDerWaalsContact O-N 3.14Å; C306-R308 PolarHBondContact SG-NE 2.75Å; C306-R308 PolarHBondContact SG-NH2 3.45Å; C306-C311 VanDerWaalsContact SG-CB 3.54Å; C306-V312 WeakPolarHBondContact O-CG2 3.49Å
307	T	73.8	Confident	70	Confident	53 Å²	53	46.8 Å²	46.8	33%	0.325	24%	0.24	S	C	.	.	S	Bend	trans	-77.2	9.5	-179.5	60.6	0	0	0	0	116	V328 A329	T307-V328 HydrophobicContact CG2-CG1 4.45Å; T307-A329 WeakPolarHBondContact CG2-O 3.5Å
308	R	76.2	Confident	71.5	Confident	97 Å²	97	51.8 Å²	51.8	37%	0.366	27%	0.267	S	S	.	.			trans	-73.9	136.1	176.8	-80.7	167.5	-74.9	175.6	-10.1	110.2	C289 C306 L310 C311 V312	C289-R308 PolarHBondContact SG-NH1 3.42Å; C289-R308 PolarHBondContact SG-NH2 3.48Å; C306-R308 PolarHBondContact O-N 3.27Å; C306-R308 VanDerWaalsContact O-N 3.14Å; C306-R308 PolarHBondContact SG-NE 2.75Å; C306-R308 PolarHBondContact SG-NH2 3.45Å; R308-L310 VanDerWaalsContact C-N 3.31Å; R308-L310 PolarHBondContact O-N 3.36Å; R308-C311 PolarHBondContact O-N 3.08Å; R308-V312 PolarHBondContact O-N 3.34Å
309	E	72.3	Confident	72.9	Confident	123 Å²	123	52.2 Å²	52.2	58%	0.575	27%	0.27	S	S	*	.	H	α-helix	trans	-48.6	-49	-174.9	-65.4	-174.4	149.6	0	0	112.6	C311 V312 F313 P433 R436	E309-C311 VanDerWaalsContact C-N 3.34Å; E309-C311 PolarHBondContact O-N 3.44Å; E309-V312 PolarHBondContact O-N 3.41Å; E309-F313 VanDerWaalsContact O-CB 3.3Å; E309-F313 WeakPolarHBondContact O-CB 3.46Å; E309-F313 PolarHBondContact O-N 2.99Å; E309-P433 VanDerWaalsContact OE1-CG 3.28Å; E309-P433 WeakPolarHBondContact OE1-CG 3.21Å; E309-R436 IonicContact OE1-NH2 2.91Å
310	L	81.7	Confident	74.6	Confident	136 Å²	136	51.9 Å²	51.9	71%	0.712	27%	0.266	S	S	*	.	H	α-helix	trans	-63.1	-36.5	-179.7	-67.1	176.9	0	0	0	113.5	R308 S314	R308-L310 VanDerWaalsContact C-N 3.31Å; R308-L310 PolarHBondContact O-N 3.36Å; L310-S314 WeakPolarHBondContact O-CB 3.15Å; L310-S314 PolarHBondContact O-N 3.08Å; L310-S314 PolarHBondContact O-OG 2.82Å
311	C	82.6	Confident	75.7	Confident	7 Å²	7	51 Å²	51	5%	0.047	26%	0.262	C	S	.	.	H	α-helix	trans	-74.7	-43	-179.5	-65	0	0	0	0	111.6	V288 C289 V305 C306 R308 E309 F313 S314 F315	V288-C311 HydrophobicContact CB-CB 4.08Å; V288-C311 HydrophobicContact CG1-CB 4.2Å; V288-C311 HydrophobicContact CG2-CB 4.49Å; C289-C311 PolarHBondContact SG-SG 3.35Å; V305-C311 HydrophobicContact CG1-CB 3.72Å; V305-C311 WeakPolarHBondContact CG1-O 3.36Å; C306-C311 VanDerWaalsContact SG-CB 3.54Å; R308-C311 PolarHBondContact O-N 3.08Å; E309-C311 VanDerWaalsContact C-N 3.34Å; E309-C311 PolarHBondContact O-N 3.44Å; C311-F313 VanDerWaalsContact C-N 3.28Å; C311-F313 PolarHBondContact O-N 2.74Å; C311-S314 PolarHBondContact O-N 3.45Å; C311-F315 WeakPolarHBondContact O-CB 3.43Å; C311-F315 PolarHBondContact O-N 3.2Å
312	V	72.7	Confident	76.5	Confident	20 Å²	20	51.3 Å²	51.3	12%	0.121	27%	0.27	C	S	.	.	H	α-helix	trans	-60.3	-43.1	174.9	176.9	0	0	0	0	110	C306 R308 E309 F315 Y316 V328	C306-V312 WeakPolarHBondContact O-CG2 3.49Å; R308-V312 PolarHBondContact O-N 3.34Å; E309-V312 PolarHBondContact O-N 3.41Å; V312-F315 PolarHBondContact O-N 3.35Å; V312-Y316 HydrophobicContact CG1-CD2 3.65Å; V312-Y316 HydrophobicContact CG1-CE2 3.88Å; V312-Y316 PolarHBondContact O-N 3.3Å; V312-V328 HydrophobicContact CG2-CG1 3.91Å; V312-V328 HydrophobicContact CG2-CG2 4.33Å
313	F	71.5	Confident	76.8	Confident	66 Å²	66	49.8 Å²	49.8	29%	0.289	28%	0.277	S	S	.	.	H	α-helix	trans	-59	-57.6	173.1	176.9	-115.4	0	0	0	111.9	E309 C311 F315 Y316 T317 L318 T629	E309-F313 VanDerWaalsContact O-CB 3.3Å; E309-F313 WeakPolarHBondContact O-CB 3.46Å; E309-F313 PolarHBondContact O-N 2.99Å; C311-F313 VanDerWaalsContact C-N 3.28Å; C311-F313 PolarHBondContact O-N 2.74Å; F313-F315 PolarHBondContact O-N 3.17Å; F313-F315 VanDerWaalsContact O-N 3.08Å; F313-Y316 PolarHBondContact O-N 3.22Å; F313-T317 HydrophobicContact CD2-CG2 4.08Å; F313-T317 WeakPolarHBondContact CD2-OG1 3.06Å; F313-T317 HydrophobicContact CE2-CG2 3.44Å; F313-T317 VanDerWaalsContact CE2-CG2 3.44Å; F313-T317 VanDerWaalsContact CE2-OG1 3.25Å; F313-T317 WeakPolarHBondContact CE2-OG1 3.49Å; F313-T317 HydrophobicContact CZ-CG2 3.7Å; F313-T317 WeakPolarHBondContact O-CB 3.13Å; F313-T317 PolarHBondContact O-N 2.69Å; F313-T317 PolarHBondContact O-OG1 3.17Å; F313-L318 HydrophobicContact CE1-CD1 4.15Å; F313-L318 HydrophobicContact CE1-CG 4.39Å; F313-T629 VanDerWaalsContact CD2-C 3.41Å; F313-T629 WeakPolarHBondContact CD2-O 3.39Å; F313-T629 VanDerWaalsContact CE2-O 3.23Å; F313-T629 WeakPolarHBondContact CE2-O 3.38Å
314	S	74.3	Confident	76.7	Confident	28 Å²	28	50 Å²	50	20%	0.196	28%	0.28	C	S	.	.	H	α-helix	trans	-53.6	-37.2	-179.8	-62.8	0	0	0	0	112.5	L310 C311 L318 G319 V320	L310-S314 WeakPolarHBondContact O-CB 3.15Å; L310-S314 PolarHBondContact O-N 3.08Å; L310-S314 PolarHBondContact O-OG 2.82Å; C311-S314 PolarHBondContact O-N 3.45Å; S314-L318 CarbonylContact O-C 3.57Å; S314-L318 WeakPolarHBondContact O-CA 3.37Å; S314-L318 WeakPolarHBondContact O-CB 3.49Å; S314-L318 PolarHBondContact O-N 3.19Å; S314-G319 PolarHBondContact O-N 3.05Å; S314-V320 VanDerWaalsContact O-CB 3.27Å; S314-V320 WeakPolarHBondContact O-CB 3.46Å; S314-V320 PolarHBondContact O-N 2.94Å
315	F	76.3	Confident	76.4	Confident	18 Å²	18	50 Å²	50	8%	0.079	28%	0.28	C	S	.	.	H	α-helix	trans	-70.8	-58.9	178.7	-178.9	-111.8	0	0	0	113.4	V305 C311 V312 F313 G319 V320 A325 V328	V305-F315 HydrophobicContact CB-CB 4.45Å; V305-F315 HydrophobicContact CB-CG 4.44Å; V305-F315 HydrophobicContact CG1-CB 4.12Å; V305-F315 HydrophobicContact CG2-CB 3.83Å; V305-F315 HydrophobicContact CG2-CD1 4.13Å; V305-F315 HydrophobicContact CG2-CD2 3.52Å; V305-F315 HydrophobicContact CG2-CE2 4.02Å; V305-F315 HydrophobicContact CG2-CG 3.57Å; C311-F315 WeakPolarHBondContact O-CB 3.43Å; C311-F315 PolarHBondContact O-N 3.2Å; V312-F315 PolarHBondContact O-N 3.35Å; F313-F315 PolarHBondContact O-N 3.17Å; F313-F315 VanDerWaalsContact O-N 3.08Å; F315-G319 VanDerWaalsContact O-CA 3.29Å; F315-G319 WeakPolarHBondContact O-CA 3.49Å; F315-G319 PolarHBondContact O-N 2.96Å; F315-V320 WeakPolarHBondContact CD2-O 3.19Å; F315-A325 HydrophobicContact CE2-CB 4.13Å; F315-A325 VanDerWaalsContact CE2-O 3.3Å; F315-A325 WeakPolarHBondContact CE2-O 3.27Å; F315-A325 WeakPolarHBondContact CZ-O 3.44Å; F315-V328 HydrophobicContact CD1-CG2 4.2Å
316	Y	72.5	Confident	75.9	Confident	98 Å²	98	55.1 Å²	55.1	38%	0.384	30%	0.304	S	S	.	.	H	α-helix	trans	-74.4	-29.5	-173.3	-74.8	-54.2	0	0	0	113.6	V312 F313 V328	V312-Y316 HydrophobicContact CG1-CD2 3.65Å; V312-Y316 HydrophobicContact CG1-CE2 3.88Å; V312-Y316 PolarHBondContact O-N 3.3Å; F313-Y316 PolarHBondContact O-N 3.22Å; Y316-V328 HydrophobicContact CD2-CG2 4.42Å; Y316-V328 HydrophobicContact CE2-CG2 3.52Å
317	T	68.1	Low	75.3	Confident	40 Å²	40	61.3 Å²	61.3	25%	0.245	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-56.5	-175.4	-54.1	0	0	0	0	113	F313 G319 N630	F313-T317 HydrophobicContact CD2-CG2 4.08Å; F313-T317 WeakPolarHBondContact CD2-OG1 3.06Å; F313-T317 HydrophobicContact CE2-CG2 3.44Å; F313-T317 VanDerWaalsContact CE2-CG2 3.44Å; F313-T317 VanDerWaalsContact CE2-OG1 3.25Å; F313-T317 WeakPolarHBondContact CE2-OG1 3.49Å; F313-T317 HydrophobicContact CZ-CG2 3.7Å; F313-T317 WeakPolarHBondContact O-CB 3.13Å; F313-T317 PolarHBondContact O-N 2.69Å; F313-T317 PolarHBondContact O-OG1 3.17Å; T317-G319 VanDerWaalsContact C-N 3.29Å; T317-N630 WeakPolarHBondContact CA-OXT 3.38Å; T317-N630 VanDerWaalsContact CB-C 3.44Å; T317-N630 WeakPolarHBondContact CB-OXT 3.41Å; T317-N630 WeakPolarHBondContact CG2-O 3.04Å; T317-N630 WeakPolarHBondContact CG2-OXT 3.48Å; T317-N630 WeakPolarHBondContact OG1-CA 3.46Å; T317-N630 PolarHBondContact OG1-OXT 2.89Å
318	L	78.1	Confident	75.2	Confident	110 Å²	110	59.1 Å²	59.1	58%	0.576	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-3.1	-170.7	-55.2	176.4	0	0	0	110.3	F313 S314 V320	F313-L318 HydrophobicContact CE1-CD1 4.15Å; F313-L318 HydrophobicContact CE1-CG 4.39Å; S314-L318 CarbonylContact O-C 3.57Å; S314-L318 WeakPolarHBondContact O-CA 3.37Å; S314-L318 WeakPolarHBondContact O-CB 3.49Å; S314-L318 PolarHBondContact O-N 3.19Å; L318-V320 HydrophobicContact CB-CG2 3.75Å; L318-V320 PolarHBondContact O-N 2.96Å
319	G	74.4	Confident	74.9	Confident	32 Å²	32	54.8 Å²	54.8	33%	0.33	30%	0.304	S	S	.	.			trans	64.9	15.2	-177.2	0	0	0	0	0	113.5	S314 F315 T317 M321 S322	S314-G319 PolarHBondContact O-N 3.05Å; F315-G319 VanDerWaalsContact O-CA 3.29Å; F315-G319 WeakPolarHBondContact O-CA 3.49Å; F315-G319 PolarHBondContact O-N 2.96Å; T317-G319 VanDerWaalsContact C-N 3.29Å; G319-M321 PolarHBondContact O-N 2.73Å; G319-S322 WeakPolarHBondContact O-CB 3.24Å; G319-S322 PolarHBondContact O-N 2.77Å; G319-S322 VanDerWaalsContact O-N 3.15Å; G319-S322 PolarHBondContact O-OG 3.37Å
320	V	81.8	Confident	74.9	Confident	49 Å²	49	51.1 Å²	51.1	30%	0.297	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	122	-174.6	171.7	0	0	0	0	108.9	V288 S314 F315 L318 S322	V288-V320 HydrophobicContact CG1-CG1 4.38Å; V288-V320 HydrophobicContact CG2-CG1 4.49Å; S314-V320 VanDerWaalsContact O-CB 3.27Å; S314-V320 WeakPolarHBondContact O-CB 3.46Å; S314-V320 PolarHBondContact O-N 2.94Å; F315-V320 WeakPolarHBondContact CD2-O 3.19Å; L318-V320 HydrophobicContact CB-CG2 3.75Å; L318-V320 PolarHBondContact O-N 2.96Å; V320-S322 VanDerWaalsContact C-N 3.27Å; V320-S322 PolarHBondContact O-N 3.4Å
321	M	81	Confident	74.6	Confident	27 Å²	27	44.9 Å²	44.9	13%	0.133	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	21.1	-178.7	-51.3	-60.7	-73.2	0	0	115.2	L128 Q129 K132 V287 V288 G319 G323 A324 A325	L128-M321 HydrophobicContact CB-CE 4.14Å; Q129-M321 VanDerWaalsContact CA-CE 3.45Å; Q129-M321 HydrophobicContact CB-CE 3.92Å; K132-M321 HydrophobicContact CD-SD 4.33Å; V287-M321 HydrophobicContact CB-CB 4.08Å; V287-M321 HydrophobicContact CB-CE 4.04Å; V287-M321 HydrophobicContact CB-CG 4.26Å; V287-M321 HydrophobicContact CG2-CB 3.58Å; V287-M321 HydrophobicContact CG2-CG 4.1Å; V287-M321 WeakPolarHBondContact O-CE 3.22Å; V288-M321 HydrophobicContact CG2-CG 4.33Å; G319-M321 PolarHBondContact O-N 2.73Å; M321-G323 PolarHBondContact O-N 3.34Å; M321-A324 HydrophobicContact CB-CB 4.31Å; M321-A324 HydrophobicContact CE-CB 3.78Å; M321-A324 PolarHBondContact O-N 3.28Å; M321-A325 PolarHBondContact O-N 3.12Å
322	S	77	Confident	74.5	Confident	81 Å²	81	44.6 Å²	44.6	57%	0.566	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.8	173.8	52.7	0	0	0	0	114.3	G319 V320	G319-S322 WeakPolarHBondContact O-CB 3.24Å; G319-S322 PolarHBondContact O-N 2.77Å; G319-S322 VanDerWaalsContact O-N 3.15Å; G319-S322 PolarHBondContact O-OG 3.37Å; V320-S322 VanDerWaalsContact C-N 3.27Å; V320-S322 PolarHBondContact O-N 3.4Å
323	G	77.8	Confident	75.1	Confident	48 Å²	48	44.8 Å²	44.8	50%	0.495	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-21.5	171.6	0	0	0	0	0	114.5	G125 M321	G125-G323 WeakPolarHBondContact CA-O 3.2Å; M321-G323 PolarHBondContact O-N 3.34Å
324	A	76	Confident	75.9	Confident	11 Å²	11	41.8 Å²	41.8	9%	0.091	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-34.2	-173.5	0	0	0	0	0	113.8	G125 L128 Q129 V287 M321	G125-A324 WeakPolarHBondContact O-CA 3.09Å; G125-A324 WeakPolarHBondContact O-CB 3.12Å; L128-A324 HydrophobicContact CB-CB 4.25Å; Q129-A324 HydrophobicContact CB-CB 4.42Å; V287-A324 HydrophobicContact CB-CB 4.47Å; V287-A324 HydrophobicContact CG1-CB 4.24Å; M321-A324 HydrophobicContact CB-CB 4.31Å; M321-A324 HydrophobicContact CE-CB 3.78Å; M321-A324 PolarHBondContact O-N 3.28Å
325	A	74.1	Confident	76.5	Confident	2 Å²	2	40.5 Å²	40.5	2%	0.017	23%	0.234	C	C	.	.			trans	-120.9	140.2	177.4	0	0	0	0	0	110.5	V287 P303 V305 F315 M321	V287-A325 HydrophobicContact CB-CB 4.48Å; V287-A325 HydrophobicContact CG1-CB 4.05Å; V287-A325 HydrophobicContact CG2-CB 3.62Å; P303-A325 WeakPolarHBondContact O-CA 3.49Å; P303-A325 WeakPolarHBondContact O-CB 3.35Å; V305-A325 HydrophobicContact CG2-CB 4.02Å; F315-A325 HydrophobicContact CE2-CB 4.13Å; F315-A325 VanDerWaalsContact CE2-O 3.3Å; F315-A325 WeakPolarHBondContact CE2-O 3.27Å; F315-A325 WeakPolarHBondContact CZ-O 3.44Å; M321-A325 PolarHBondContact O-N 3.12Å
326	E	70	Confident	77.2	Confident	106 Å²	106	40.8 Å²	40.8	50%	0.495	24%	0.237	S	C	.	.	S	Bend	trans	-91.2	-30.6	172.9	-66.7	175.8	-173.3	0	0	111.3	K302	K302-E326 IonicContact NZ-OE1 3.94Å; K302-E326 PolarHBondContact NZ-OE1 3.34Å; K302-E326 IonicContact NZ-OE2 3.88Å; K302-E326 PolarHBondContact NZ-OE2 3.16Å
327	E	69.7	Low	78.1	Confident	135 Å²	135	36.2 Å²	36.2	63%	0.631	22%	0.219	S	C	*	.	S	Bend	trans	-143.5	162.9	-168.6	-62	-173.9	169.4	0	0	113.5	A304 V305	A304-E327 WeakPolarHBondContact CA-O 3.46Å; A304-E327 WeakPolarHBondContact CB-O 3.11Å; V305-E327 PolarHBondContact N-O 2.77Å
328	V	71.3	Confident	79.3	Confident	7 Å²	7	34.6 Å²	34.6	4%	0.042	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-86.1	136.3	170	179.3	0	0	0	0	108.9	V305 T307 V312 F315 Y316 T330	V305-V328 HydrophobicContact CB-CG2 4.15Å; V305-V328 CarbonylContact O-C 3.44Å; V305-V328 WeakPolarHBondContact O-CA 3.25Å; V305-V328 WeakPolarHBondContact O-CG1 3.42Å; T307-V328 HydrophobicContact CG2-CG1 4.45Å; V312-V328 HydrophobicContact CG2-CG1 3.91Å; V312-V328 HydrophobicContact CG2-CG2 4.33Å; F315-V328 HydrophobicContact CD1-CG2 4.2Å; Y316-V328 HydrophobicContact CD2-CG2 4.42Å; Y316-V328 HydrophobicContact CE2-CG2 3.52Å; V328-T330 PolarHBondContact O-N 2.88Å
329	A	69.1	Low	80	Confident	7 Å²	7	30.1 Å²	30.1	6%	0.058	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-56.9	136.8	173.9	0	0	0	0	0	111	H293 M300 A304 V305 T307 G331	H293-A329 WeakPolarHBondContact ND1-CB 3.49Å; M300-A329 HydrophobicContact CE-CB 4.3Å; M300-A329 HydrophobicContact SD-CB 3.56Å; M300-A329 VanDerWaalsContact SD-CB 3.56Å; A304-A329 HydrophobicContact CB-CB 4.5Å; V305-A329 WeakPolarHBondContact O-CB 3.5Å; V305-A329 PolarHBondContact O-N 2.82Å; T307-A329 WeakPolarHBondContact CG2-O 3.5Å; A329-G331 PolarHBondContact O-N 2.95Å
330	T	73.3	Confident	80.9	Confident	45 Å²	45	29.6 Å²	29.6	28%	0.276	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-65.6	135.9	176.5	-58.5	0	0	0	0	110.1	F295 V328 V334 V335	F295-T330 WeakPolarHBondContact CD2-O 3.36Å; V328-T330 PolarHBondContact O-N 2.88Å; T330-V334 HydrophobicContact CG2-CB 3.8Å; T330-V334 HydrophobicContact CG2-CG1 3.64Å; T330-V335 HydrophobicContact CG2-CG2 3.74Å
331	G	75.3	Confident	81.5	Confident	6 Å²	6	27.3 Å²	27.3	6%	0.062	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-78.1	152.4	-176.1	0	0	0	0	0	114.7	F295 A329 E333 V334 V335	F295-G331 WeakPolarHBondContact CE2-O 3.46Å; A329-G331 PolarHBondContact O-N 2.95Å; G331-E333 PolarHBondContact O-N 3.02Å; G331-V334 WeakPolarHBondContact O-CB 3.33Å; G331-V334 PolarHBondContact O-N 3.46Å; G331-V335 PolarHBondContact O-N 3.09Å
332	A	80.8	Confident	82.2	Confident	0 Å²	0	26 Å²	26	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-36	-51.7	177.5	0	0	0	0	0	112.5	V294 F295 D336 I392 F555	V294-A332 HydrophobicContact CG1-CB 3.91Å; F295-A332 HydrophobicContact CD2-CB 4.39Å; F295-A332 VanDerWaalsContact CD2-N 3.26Å; F295-A332 HydrophobicContact CE2-CB 4.12Å; F295-A332 WeakPolarHBondContact CE2-O 3.37Å; F295-A332 VanDerWaalsContact CZ-C 3.41Å; F295-A332 HydrophobicContact CZ-CB 4.18Å; F295-A332 WeakPolarHBondContact CZ-O 3.47Å; A332-D336 PolarHBondContact O-N 3.37Å; A332-I392 WeakPolarHBondContact O-CG2 3.26Å; A332-F555 HydrophobicContact CB-CE1 3.45Å; A332-F555 VanDerWaalsContact CB-CE1 3.45Å; A332-F555 HydrophobicContact CB-CZ 3.72Å
333	E	85.3	Confident	83.1	Confident	25 Å²	25	23.9 Å²	23.9	12%	0.117	14%	0.138	C	C	.	.	H	α-helix	trans	-83.9	-21.2	-168.8	-51.6	93	151	0	0	112.5	G331 L337 K431 F446 R554 F555	G331-E333 PolarHBondContact O-N 3.02Å; E333-L337 WeakPolarHBondContact O-CB 3.33Å; E333-L337 PolarHBondContact O-N 3.41Å; E333-L337 VanDerWaalsContact O-N 3.15Å; E333-K431 HydrophobicContact CB-CB 4.35Å; E333-K431 HydrophobicContact CB-CD 3.32Å; E333-K431 HydrophobicContact CB-CG 4.45Å; E333-K431 HydrophobicContact CG-CD 3.37Å; E333-F446 HydrophobicContact CB-CE1 4.26Å; E333-R554 HydrophobicContact CG-CG 3.78Å; E333-R554 WeakPolarHBondContact CG-O 3.09Å; E333-R554 VanDerWaalsContact OE1-CG 3.24Å; E333-R554 WeakPolarHBondContact OE1-CG 3.49Å; E333-R554 IonicContact OE1-CZ 3.89Å; E333-R554 IonicContact OE1-NE 3Å; E333-R554 PolarHBondContact OE1-NE 2.95Å; E333-R554 IonicContact OE1-NH2 2.77Å; E333-R554 PolarHBondContact OE1-NH2 3.37Å; E333-R554 IonicContact OE2-NH2 3.6Å; E333-F555 HydrophobicContact CG-CD1 4.26Å; E333-F555 HydrophobicContact CG-CE1 4.14Å
334	V	87.8	Confident	83.9	Confident	2 Å²	2	22.4 Å²	22.4	1%	0.012	12%	0.121	C	C	.	.	H	α-helix	trans	-76.3	-42.8	176.4	176.8	0	0	0	0	109.9	T330 G331 D336 L337 L338 I429 F446	T330-V334 HydrophobicContact CG2-CB 3.8Å; T330-V334 HydrophobicContact CG2-CG1 3.64Å; G331-V334 WeakPolarHBondContact O-CB 3.33Å; G331-V334 PolarHBondContact O-N 3.46Å; V334-D336 VanDerWaalsContact C-N 3.31Å; V334-D336 PolarHBondContact O-N 3.23Å; V334-L337 WeakPolarHBondContact O-CB 3.41Å; V334-L337 PolarHBondContact O-N 2.94Å; V334-L338 HydrophobicContact CG1-CD1 4.19Å; V334-L338 HydrophobicContact CG1-CG 4.37Å; V334-L338 VanDerWaalsContact O-CG 3.28Å; V334-L338 WeakPolarHBondContact O-CG 3.17Å; V334-L338 PolarHBondContact O-N 3.03Å; V334-I429 HydrophobicContact CG1-CB 3.77Å; V334-I429 HydrophobicContact CG1-CD1 4.23Å; V334-I429 HydrophobicContact CG1-CG1 4.49Å; V334-I429 HydrophobicContact CG1-CG2 4.06Å; V334-I429 HydrophobicContact CG2-CB 4.23Å; V334-I429 HydrophobicContact CG2-CG2 3.97Å; V334-I429 WeakPolarHBondContact CG2-O 3.36Å; V334-F446 HydrophobicContact CG2-CD1 4.03Å; V334-F446 HydrophobicContact CG2-CE1 4.07Å
335	V	87.2	Confident	84.9	Confident	2 Å²	2	21.9 Å²	21.9	1%	0.012	12%	0.116	C	C	.	.	H	α-helix	trans	-65.4	-40.3	176.5	-178.9	0	0	0	0	110.5	F295 T330 G331 L337 L338 V339 I392 L418 I422	F295-V335 HydrophobicContact CD2-CB 4.28Å; F295-V335 HydrophobicContact CD2-CG2 3.66Å; F295-V335 HydrophobicContact CE2-CB 3.27Å; F295-V335 HydrophobicContact CE2-CG1 4.27Å; F295-V335 HydrophobicContact CE2-CG2 3.11Å; F295-V335 HydrophobicContact CZ-CB 3.53Å; F295-V335 HydrophobicContact CZ-CG1 4.19Å; F295-V335 HydrophobicContact CZ-CG2 3.87Å; T330-V335 HydrophobicContact CG2-CG2 3.74Å; G331-V335 PolarHBondContact O-N 3.09Å; V335-L337 VanDerWaalsContact C-N 3.28Å; V335-L337 PolarHBondContact O-N 3.39Å; V335-L338 PolarHBondContact O-N 3.46Å; V335-L338 VanDerWaalsContact O-N 3.16Å; V335-V339 HydrophobicContact CG1-CG2 4.24Å; V335-V339 WeakPolarHBondContact O-CG2 3.32Å; V335-V339 PolarHBondContact O-N 2.76Å; V335-I392 HydrophobicContact CB-CD1 4.38Å; V335-I392 HydrophobicContact CG1-CD1 3.82Å; V335-L418 HydrophobicContact CG1-CD1 3.74Å; V335-I422 HydrophobicContact CB-CD1 4.45Å; V335-I422 HydrophobicContact CB-CG1 4.42Å; V335-I422 HydrophobicContact CG1-CD1 3.72Å; V335-I422 HydrophobicContact CG1-CG1 3.78Å; V335-I422 HydrophobicContact CG2-CD1 3.8Å; V335-I422 HydrophobicContact CG2-CG1 3.83Å
336	D	90.5	Very high	85.9	Confident	24 Å²	24	21.9 Å²	21.9	13%	0.128	12%	0.116	C	C	.	.	H	α-helix	trans	-54.8	-46.7	173.6	-168.9	36.6	0	0	0	111.2	A332 V334 V339 A340 I392 F555 L556	A332-D336 PolarHBondContact O-N 3.37Å; V334-D336 VanDerWaalsContact C-N 3.31Å; V334-D336 PolarHBondContact O-N 3.23Å; D336-V339 PolarHBondContact O-N 3.39Å; D336-A340 WeakPolarHBondContact O-CB 3.41Å; D336-A340 PolarHBondContact O-N 3.36Å; D336-I392 HydrophobicContact CB-CB 4.07Å; D336-I392 HydrophobicContact CB-CG1 3.73Å; D336-I392 HydrophobicContact CB-CG2 4.25Å; D336-F555 HydrophobicContact CB-CD1 4.24Å; D336-F555 WeakPolarHBondContact OD2-CA 3.36Å; D336-F555 WeakPolarHBondContact OD2-CB 3.07Å; D336-L556 WeakPolarHBondContact OD2-CB 3.37Å; D336-L556 PolarHBondContact OD2-N 3.01Å
337	L	91.9	Very high	87.1	Confident	1 Å²	1	21.7 Å²	21.7	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-61.2	-46.7	174.7	-179.4	60.8	0	0	0	113.2	E333 V334 V335 V339 A340 M341 F446 L556 F595 V597	E333-L337 WeakPolarHBondContact O-CB 3.33Å; E333-L337 PolarHBondContact O-N 3.41Å; E333-L337 VanDerWaalsContact O-N 3.15Å; V334-L337 WeakPolarHBondContact O-CB 3.41Å; V334-L337 PolarHBondContact O-N 2.94Å; V335-L337 VanDerWaalsContact C-N 3.28Å; V335-L337 PolarHBondContact O-N 3.39Å; L337-V339 VanDerWaalsContact C-N 3.34Å; L337-V339 PolarHBondContact O-N 3Å; L337-A340 PolarHBondContact O-N 2.88Å; L337-M341 HydrophobicContact CD1-CE 3.7Å; L337-M341 HydrophobicContact CD1-CG 4.44Å; L337-M341 HydrophobicContact CD2-CE 3.93Å; L337-M341 HydrophobicContact CG-CE 3.71Å; L337-M341 HydrophobicContact CG-SD 4.32Å; L337-M341 WeakPolarHBondContact O-CG 3.33Å; L337-M341 PolarHBondContact O-N 2.93Å; L337-F446 HydrophobicContact CB-CZ 4.28Å; L337-F446 HydrophobicContact CD2-CD1 4.39Å; L337-F446 HydrophobicContact CD2-CD2 3.89Å; L337-F446 HydrophobicContact CD2-CE1 4.22Å; L337-F446 HydrophobicContact CD2-CE2 3.72Å; L337-F446 HydrophobicContact CD2-CG 4.23Å; L337-F446 HydrophobicContact CD2-CZ 3.88Å; L337-L556 HydrophobicContact CD1-CD1 4.24Å; L337-F595 HydrophobicContact CD1-CE1 4.13Å; L337-F595 HydrophobicContact CD2-CD1 3.75Å; L337-F595 HydrophobicContact CD2-CE1 3.75Å; L337-F595 HydrophobicContact CG-CE1 4.41Å; L337-V597 HydrophobicContact CD1-CG2 3.59Å; L337-V597 HydrophobicContact CD2-CG2 4.29Å
338	L	92.3	Very high	88.3	Confident	7 Å²	7	15.5 Å²	15.5	4%	0.037	9%	0.087	C	C	.	.	H	α-helix	trans	-64.1	-39.9	-178.9	-69	174.6	0	0	0	111.8	V334 V335 M341 C342 I421 N425 I429 L484	V334-L338 HydrophobicContact CG1-CD1 4.19Å; V334-L338 HydrophobicContact CG1-CG 4.37Å; V334-L338 VanDerWaalsContact O-CG 3.28Å; V334-L338 WeakPolarHBondContact O-CG 3.17Å; V334-L338 PolarHBondContact O-N 3.03Å; V335-L338 PolarHBondContact O-N 3.46Å; V335-L338 VanDerWaalsContact O-N 3.16Å; L338-M341 PolarHBondContact O-N 2.57Å; L338-C342 VanDerWaalsContact O-CB 3.31Å; L338-C342 WeakPolarHBondContact O-CB 3.46Å; L338-C342 PolarHBondContact O-N 3.31Å; L338-I421 HydrophobicContact CB-CG2 3.7Å; L338-N425 HydrophobicContact CD1-CB 3.97Å; L338-N425 HydrophobicContact CD2-CB 4.27Å; L338-I429 HydrophobicContact CD2-CD1 4.41Å; L338-L484 HydrophobicContact CD2-CD1 3.87Å
339	V	93.3	Very high	89.4	Confident	15 Å²	15	21.3 Å²	21.3	9%	0.091	13%	0.125	C	C	.	.	H	α-helix	trans	-64.8	-43.9	174.7	172	0	0	0	0	110.4	V335 D336 L337 M341 C342 R343 L386 L418 I421	V335-V339 HydrophobicContact CG1-CG2 4.24Å; V335-V339 WeakPolarHBondContact O-CG2 3.32Å; V335-V339 PolarHBondContact O-N 2.76Å; D336-V339 PolarHBondContact O-N 3.39Å; L337-V339 VanDerWaalsContact C-N 3.34Å; L337-V339 PolarHBondContact O-N 3Å; V339-M341 PolarHBondContact O-N 3.42Å; V339-C342 PolarHBondContact O-N 2.87Å; V339-R343 WeakPolarHBondContact O-CB 3.45Å; V339-R343 PolarHBondContact O-N 3.17Å; V339-L386 HydrophobicContact CG1-CD1 4.21Å; V339-L418 HydrophobicContact CG2-CD1 3.79Å; V339-I421 HydrophobicContact CG2-CD1 4.42Å; V339-I421 HydrophobicContact CG2-CG2 4.43Å
340	A	93.9	Very high	90.6	Very high	22 Å²	22	23.2 Å²	23.2	18%	0.182	13%	0.13	C	C	.	.	H	α-helix	trans	-61.2	-42.8	177	0	0	0	0	0	112.5	D336 L337 R343 A344 L556 L561	D336-A340 WeakPolarHBondContact O-CB 3.41Å; D336-A340 PolarHBondContact O-N 3.36Å; L337-A340 PolarHBondContact O-N 2.88Å; A340-R343 PolarHBondContact O-N 3.31Å; A340-A344 WeakPolarHBondContact O-CB 3.14Å; A340-A344 PolarHBondContact O-N 3.18Å; A340-L556 HydrophobicContact CB-CD1 3.91Å; A340-L561 HydrophobicContact CB-CD1 3.86Å
341	M	94.8	Very high	91.7	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-64.9	-44.3	175.3	-72.1	176.9	177	0	0	112.7	L337 L338 V339 R343 A344 A345 I477 W480 H481 L484 F595	L337-M341 HydrophobicContact CD1-CE 3.7Å; L337-M341 HydrophobicContact CD1-CG 4.44Å; L337-M341 HydrophobicContact CD2-CE 3.93Å; L337-M341 HydrophobicContact CG-CE 3.71Å; L337-M341 HydrophobicContact CG-SD 4.32Å; L337-M341 WeakPolarHBondContact O-CG 3.33Å; L337-M341 PolarHBondContact O-N 2.93Å; L338-M341 PolarHBondContact O-N 2.57Å; V339-M341 PolarHBondContact O-N 3.42Å; M341-R343 VanDerWaalsContact C-N 3.3Å; M341-R343 PolarHBondContact O-N 2.74Å; M341-A344 PolarHBondContact O-N 2.89Å; M341-A345 VanDerWaalsContact O-CB 3.3Å; M341-A345 WeakPolarHBondContact O-CB 3.41Å; M341-A345 PolarHBondContact O-N 3.44Å; M341-I477 HydrophobicContact CG-CD1 3.78Å; M341-W480 HydrophobicContact CE-CB 3.7Å; M341-W480 HydrophobicContact CE-CG 4.39Å; M341-W480 HydrophobicContact CG-CB 4.16Å; M341-W480 HydrophobicContact SD-CB 3.77Å; M341-H481 HydrophobicContact CB-CB 4.45Å; M341-L484 HydrophobicContact CE-CD1 3.76Å; M341-L484 HydrophobicContact CE-CG 4.47Å; M341-L484 HydrophobicContact SD-CD1 3.33Å; M341-L484 WeakPolarHBondContact SD-CD1 2.97Å; M341-L484 HydrophobicContact SD-CG 4.14Å; M341-F595 HydrophobicContact CE-CD1 4.13Å; M341-F595 HydrophobicContact CE-CE1 3.11Å; M341-F595 HydrophobicContact CE-CE2 4.12Å; M341-F595 HydrophobicContact CE-CZ 3.11Å
342	C	95.3	Very high	92.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59	-45.4	177.2	-173.8	0	0	0	0	110.5	L338 V339 A345 L346 L386 I421	L338-C342 VanDerWaalsContact O-CB 3.31Å; L338-C342 WeakPolarHBondContact O-CB 3.46Å; L338-C342 PolarHBondContact O-N 3.31Å; V339-C342 PolarHBondContact O-N 2.87Å; C342-A345 PolarHBondContact O-N 3.27Å; C342-L346 PolarHBondContact O-N 3.49Å; C342-L386 HydrophobicContact CB-CD2 4.47Å; C342-I421 HydrophobicContact CB-CD1 4.11Å; C342-I421 HydrophobicContact CB-CG1 4.48Å
343	R	95.1	Very high	93.1	Very high	35 Å²	35	30.5 Å²	30.5	13%	0.132	17%	0.169	C	C	.	.	H	α-helix	trans	-60.6	-52.2	176.1	-177.2	175.6	-59.5	-70.6	-0.8	111.9	V339 A340 M341 A345 L346 E347 L386 D387	V339-R343 WeakPolarHBondContact O-CB 3.45Å; V339-R343 PolarHBondContact O-N 3.17Å; A340-R343 PolarHBondContact O-N 3.31Å; M341-R343 VanDerWaalsContact C-N 3.3Å; M341-R343 PolarHBondContact O-N 2.74Å; R343-A345 PolarHBondContact O-N 3.13Å; R343-L346 PolarHBondContact O-N 2.72Å; R343-E347 HydrophobicContact CG-CG 4.34Å; R343-E347 WeakPolarHBondContact CG-OE1 3.41Å; R343-E347 WeakPolarHBondContact O-CG 3.12Å; R343-E347 PolarHBondContact O-N 2.7Å; R343-L386 HydrophobicContact CB-CD2 3.81Å; R343-L386 HydrophobicContact CG-CD2 4.43Å; R343-L386 PolarHBondContact NH2-O 3.45Å; R343-D387 IonicContact CZ-OD1 2.96Å; R343-D387 IonicContact NH1-OD1 2.92Å; R343-D387 PolarHBondContact NH1-OD1 2.93Å
344	A	95.1	Very high	93.5	Very high	17 Å²	17	29.4 Å²	29.4	14%	0.14	16%	0.164	C	C	.	.	H	α-helix	trans	-58.2	-37.4	178.6	0	0	0	0	0	112.3	A340 M341 S348 I477	A340-A344 WeakPolarHBondContact O-CB 3.14Å; A340-A344 PolarHBondContact O-N 3.18Å; M341-A344 PolarHBondContact O-N 2.89Å; A344-S348 PolarHBondContact O-N 2.97Å; A344-I477 HydrophobicContact CB-CB 4.32Å; A344-I477 HydrophobicContact CB-CG1 3.71Å; A344-I477 HydrophobicContact CB-CG2 3.84Å
345	A	96.1	Very high	93.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-70.9	-31.5	177.2	0	0	0	0	0	113.2	M341 C342 R343 S348 K351 F355 E478 H481	M341-A345 VanDerWaalsContact O-CB 3.3Å; M341-A345 WeakPolarHBondContact O-CB 3.41Å; M341-A345 PolarHBondContact O-N 3.44Å; C342-A345 PolarHBondContact O-N 3.27Å; R343-A345 PolarHBondContact O-N 3.13Å; A345-S348 WeakPolarHBondContact O-CB 2.92Å; A345-K351 VanDerWaalsContact O-CB 3.25Å; A345-K351 WeakPolarHBondContact O-CB 3.49Å; A345-F355 HydrophobicContact CB-CD2 3.6Å; A345-F355 HydrophobicContact CB-CE2 4.18Å; A345-E478 VanDerWaalsContact CB-O 3.26Å; A345-E478 WeakPolarHBondContact CB-O 3.49Å; A345-H481 HydrophobicContact CB-CB 3.7Å
346	L	96.1	Very high	94	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-78.7	-31.9	173.9	-73.7	177.9	0	0	0	113.9	C342 R343 S348 K351 F355 Y379 L382 Q383 L386	C342-L346 PolarHBondContact O-N 3.49Å; R343-L346 PolarHBondContact O-N 2.72Å; L346-S348 PolarHBondContact O-N 3.02Å; L346-K351 WeakPolarHBondContact O-CD 3.07Å; L346-F355 HydrophobicContact CD1-CE2 4.2Å; L346-F355 HydrophobicContact CD1-CZ 4.14Å; L346-F355 HydrophobicContact CD2-CD1 3.89Å; L346-F355 HydrophobicContact CD2-CD2 3.66Å; L346-F355 HydrophobicContact CD2-CE1 3.75Å; L346-F355 HydrophobicContact CD2-CE2 3.59Å; L346-F355 HydrophobicContact CD2-CG 3.84Å; L346-F355 HydrophobicContact CD2-CZ 3.62Å; L346-F355 HydrophobicContact CG-CD2 3.82Å; L346-F355 HydrophobicContact CG-CE1 4.4Å; L346-F355 HydrophobicContact CG-CE2 3.44Å; L346-F355 VanDerWaalsContact CG-CE2 3.44Å; L346-F355 HydrophobicContact CG-CG 4.49Å; L346-F355 HydrophobicContact CG-CZ 3.76Å; L346-Y379 HydrophobicContact CD2-CD1 3.89Å; L346-L382 HydrophobicContact CD1-CD2 4.07Å; L346-L382 HydrophobicContact CD1-CG 3.85Å; L346-L382 HydrophobicContact CD2-CD2 3.76Å; L346-L382 HydrophobicContact CD2-CG 4.33Å; L346-Q383 VanDerWaalsContact CB-OE1 3.26Å; L346-L386 HydrophobicContact CD1-CB 4.49Å; L346-L386 HydrophobicContact CD1-CD2 3.68Å
347	E	95.1	Very high	94	Very high	102 Å²	102	33.5 Å²	33.5	48%	0.477	19%	0.185	S	C	.	.	H	α-helix	trans	-74.3	-17.6	175.5	-70.9	173.5	-179.5	0	0	111.7	R343 R559	R343-E347 HydrophobicContact CG-CG 4.34Å; R343-E347 WeakPolarHBondContact CG-OE1 3.41Å; R343-E347 WeakPolarHBondContact O-CG 3.12Å; R343-E347 PolarHBondContact O-N 2.7Å; E347-R559 IonicContact OE1-NH1 3.87Å
348	S	94.9	Very high	94.1	Very high	5 Å²	5	33.7 Å²	33.7	4%	0.035	19%	0.185	C	C	.	.	S	Bend	trans	-63.2	136.2	177.4	-175.7	0	0	0	0	113	A344 A345 L346 R350 K351 I354 E478	A344-S348 PolarHBondContact O-N 2.97Å; A345-S348 WeakPolarHBondContact O-CB 2.92Å; L346-S348 PolarHBondContact O-N 3.02Å; S348-R350 PolarHBondContact O-N 3.16Å; S348-R350 VanDerWaalsContact O-N 3.08Å; S348-R350 PolarHBondContact OG-N 3.14Å; S348-K351 VanDerWaalsContact O-CB 3.31Å; S348-K351 WeakPolarHBondContact O-CB 3.43Å; S348-K351 WeakPolarHBondContact O-CG 3.43Å; S348-K351 PolarHBondContact O-N 2.68Å; S348-K351 VanDerWaalsContact O-N 3.08Å; S348-I354 WeakPolarHBondContact OG-CD1 3.04Å; S348-E478 WeakPolarHBondContact CB-OE2 3.42Å; S348-E478 PolarHBondContact OG-OE1 3.07Å; S348-E478 PolarHBondContact OG-OE2 3.28Å
349	P	94.6	Very high	94.1	Very high	129 Å²	129	33.3 Å²	33.3	84%	0.838	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.1	166.7	-23.2	33.6	0	0	0	113.3
350	R	94.3	Very high	93.8	Very high	48 Å²	48	35.5 Å²	35.5	18%	0.181	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	8.5	-178.8	-62.3	169	62.6	-126.4	2.7	113	S348 S352 I353 I354 E478 N479 L496 L498	S348-R350 PolarHBondContact O-N 3.16Å; S348-R350 VanDerWaalsContact O-N 3.08Å; S348-R350 PolarHBondContact OG-N 3.14Å; R350-S352 PolarHBondContact O-N 2.81Å; R350-I353 WeakPolarHBondContact O-CA 3.44Å; R350-I353 PolarHBondContact O-N 3.37Å; R350-I354 HydrophobicContact CB-CD1 4.13Å; R350-I354 HydrophobicContact CB-CG1 4.38Å; R350-I354 HydrophobicContact CB-CG2 4.27Å; R350-I354 WeakPolarHBondContact O-CG1 3.43Å; R350-I354 PolarHBondContact O-N 3.26Å; R350-E478 IonicContact NH1-OE1 2.81Å; R350-E478 PolarHBondContact NH1-OE1 3.06Å; R350-N479 PolarHBondContact NH1-OD1 2.96Å; R350-L496 PolarHBondContact NH2-O 3.07Å; R350-L498 VanDerWaalsContact NH1-CD2 3.31Å
351	K	95.5	Very high	93.5	Very high	56 Å²	56	34.9 Å²	34.9	24%	0.243	19%	0.194	C	C	.	.	H	α-helix	trans	-50.5	-31.9	-176.7	69.3	-167.3	-175.8	-177.5	0	114.3	A345 L346 S348 I353 F355 Y379	A345-K351 VanDerWaalsContact O-CB 3.25Å; A345-K351 WeakPolarHBondContact O-CB 3.49Å; L346-K351 WeakPolarHBondContact O-CD 3.07Å; S348-K351 VanDerWaalsContact O-CB 3.31Å; S348-K351 WeakPolarHBondContact O-CB 3.43Å; S348-K351 WeakPolarHBondContact O-CG 3.43Å; S348-K351 PolarHBondContact O-N 2.68Å; S348-K351 VanDerWaalsContact O-N 3.08Å; K351-I353 PolarHBondContact O-N 3.47Å; K351-F355 HydrophobicContact CB-CB 4.39Å; K351-F355 WeakPolarHBondContact O-CB 3.48Å; K351-F355 PolarHBondContact O-N 3.16Å; K351-F355 VanDerWaalsContact O-N 3.1Å; K351-Y379 HydrophobicContact CB-CE1 4.43Å; K351-Y379 HydrophobicContact CD-CD1 4.11Å; K351-Y379 HydrophobicContact CD-CG 4.19Å; K351-Y379 HydrophobicContact CG-CD1 4.08Å; K351-Y379 HydrophobicContact CG-CE1 4.23Å; K351-Y379 HydrophobicContact CG-CG 4.37Å
352	S	94.4	Very high	93	Very high	79 Å²	79	38.5 Å²	38.5	55%	0.552	22%	0.216	S	C	*	.	H	α-helix	trans	-62.7	-22.3	175.9	57.1	0	0	0	0	114.1	R350 Y379	R350-S352 PolarHBondContact O-N 2.81Å; S352-Y379 WeakPolarHBondContact CA-OH 2.82Å
353	I	92.6	Very high	92.6	Very high	68 Å²	68	40.4 Å²	40.4	35%	0.349	23%	0.226	S	C	.	.	H	α-helix	trans	-107.1	-42.9	-176.7	-52.1	174.5	0	0	0	111	R350 K351 K495 L496	R350-I353 WeakPolarHBondContact O-CA 3.44Å; R350-I353 PolarHBondContact O-N 3.37Å; K351-I353 PolarHBondContact O-N 3.47Å; I353-K495 HydrophobicContact CG2-CB 3.93Å; I353-L496 HydrophobicContact CG2-CD2 3.85Å
354	I	93.3	Very high	92	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.015	24%	0.242	C	C	.	.	H	α-helix	trans	-97.5	-18.9	-169.8	68.8	179.8	0	0	0	114.3	S348 R350 E356 E478 L496	S348-I354 WeakPolarHBondContact OG-CD1 3.04Å; R350-I354 HydrophobicContact CB-CD1 4.13Å; R350-I354 HydrophobicContact CB-CG1 4.38Å; R350-I354 HydrophobicContact CB-CG2 4.27Å; R350-I354 WeakPolarHBondContact O-CG1 3.43Å; R350-I354 PolarHBondContact O-N 3.26Å; I354-E356 PolarHBondContact O-N 2.93Å; I354-E478 HydrophobicContact CD1-CB 3.71Å; I354-E478 HydrophobicContact CD1-CG 3.71Å; I354-L496 HydrophobicContact CG2-CD2 4.21Å
355	F	95.3	Very high	91.7	Very high	1 Å²	1	47 Å²	47	0%	0.004	27%	0.269	C	S	.	.			trans	-81.2	70.7	179.6	-164.2	-95.7	0	0	0	110.3	A345 L346 K351 Y358 P359 Y379 L382 H481	A345-F355 HydrophobicContact CB-CD2 3.6Å; A345-F355 HydrophobicContact CB-CE2 4.18Å; L346-F355 HydrophobicContact CD1-CE2 4.2Å; L346-F355 HydrophobicContact CD1-CZ 4.14Å; L346-F355 HydrophobicContact CD2-CD1 3.89Å; L346-F355 HydrophobicContact CD2-CD2 3.66Å; L346-F355 HydrophobicContact CD2-CE1 3.75Å; L346-F355 HydrophobicContact CD2-CE2 3.59Å; L346-F355 HydrophobicContact CD2-CG 3.84Å; L346-F355 HydrophobicContact CD2-CZ 3.62Å; L346-F355 HydrophobicContact CG-CD2 3.82Å; L346-F355 HydrophobicContact CG-CE1 4.4Å; L346-F355 HydrophobicContact CG-CE2 3.44Å; L346-F355 VanDerWaalsContact CG-CE2 3.44Å; L346-F355 HydrophobicContact CG-CG 4.49Å; L346-F355 HydrophobicContact CG-CZ 3.76Å; K351-F355 HydrophobicContact CB-CB 4.39Å; K351-F355 WeakPolarHBondContact O-CB 3.48Å; K351-F355 PolarHBondContact O-N 3.16Å; K351-F355 VanDerWaalsContact O-N 3.1Å; F355-Y358 AromaticContact CD1-CD2 3.95Å; F355-Y358 HydrophobicContact CD1-CD2 3.95Å; F355-Y358 HydrophobicContact CE1-CD2 4.14Å; F355-P359 VanDerWaalsContact CE1-CD 3.43Å; F355-P359 HydrophobicContact CE1-CG 4.13Å; F355-P359 HydrophobicContact CZ-CG 4.43Å; F355-Y379 HydrophobicContact CB-CE1 4.3Å; F355-Y379 HydrophobicContact CD1-CE1 4.23Å; F355-L382 HydrophobicContact CD1-CD2 4.4Å; F355-L382 HydrophobicContact CE1-CD2 3.49Å; F355-L382 VanDerWaalsContact CE1-CD2 3.49Å; F355-L382 HydrophobicContact CZ-CD2 3.88Å; F355-H481 AromaticContact CD2-CD2 3.9Å; F355-H481 AromaticContact CE2-CE1 3.97Å; F355-H481 AromaticContact CE2-NE2 3.78Å
356	E	90.7	Very high	91.3	Very high	82 Å²	82	49.9 Å²	49.9	38%	0.383	29%	0.285	S	S	.	.			trans	-135	129.5	-179.1	-173	61.8	-147.9	0	0	109.7	I354 K377 S482 N486	I354-E356 PolarHBondContact O-N 2.93Å; E356-K377 IonicContact OE2-NZ 3.76Å; E356-K377 PolarHBondContact OE2-NZ 3.08Å; E356-S482 WeakPolarHBondContact O-CA 3.4Å; E356-S482 VanDerWaalsContact O-CB 3.24Å; E356-S482 WeakPolarHBondContact O-CB 3.14Å; E356-S482 PolarHBondContact O-OG 3.09Å; E356-N486 PolarHBondContact O-ND2 3.05Å
357	P	90.3	Very high	90.8	Very high	31 Å²	31	54.9 Å²	54.9	20%	0.201	32%	0.318	C	S	.	.	S	Bend	cis	-66.4	144.9	0.1	28.6	-36.6	0	0	0	113.9	W420 H481 R485	P357-W420 HydrophobicContact CB-CZ2 4.26Å; P357-W420 HydrophobicContact CG-CH2 4.16Å; P357-W420 HydrophobicContact CG-CZ2 4.13Å; P357-W420 WeakPolarHBondContact O-CH2 3.3Å; P357-H481 PolarHBondContact O-NE2 3.06Å; P357-R485 HydrophobicContact CG-CB 4.42Å
358	Y	93.9	Very high	90.3	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.016	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-77.9	142.5	166.1	-171.4	-88.8	0	0	0	109.8	F355 F372 P374 K377 N378 Y379 L382	F355-Y358 AromaticContact CD1-CD2 3.95Å; F355-Y358 HydrophobicContact CD1-CD2 3.95Å; F355-Y358 HydrophobicContact CE1-CD2 4.14Å; Y358-F372 HydrophobicContact CE1-CB 4Å; Y358-P374 HydrophobicContact CD1-CG 4.38Å; Y358-K377 HydrophobicContact CD1-CG 4.22Å; Y358-K377 HydrophobicContact CD2-CB 4.04Å; Y358-K377 HydrophobicContact CD2-CD 3.78Å; Y358-K377 HydrophobicContact CD2-CG 3.81Å; Y358-K377 HydrophobicContact CE1-CB 4.48Å; Y358-K377 HydrophobicContact CE1-CG 4.43Å; Y358-K377 HydrophobicContact CE2-CB 3.76Å; Y358-K377 HydrophobicContact CE2-CD 4.38Å; Y358-K377 HydrophobicContact CE2-CG 4.05Å; Y358-K377 HydrophobicContact CG-CD 4.02Å; Y358-K377 HydrophobicContact CG-CG 3.92Å; Y358-N378 PolarHBondContact OH-N 3.42Å; Y358-N378 PolarHBondContact OH-O 3Å; Y358-Y379 HydrophobicContact CD2-CE1 4.12Å; Y358-Y379 HydrophobicContact CE2-CD1 4.22Å; Y358-Y379 HydrophobicContact CE2-CE1 4.02Å; Y358-L382 HydrophobicContact CD2-CD2 4.4Å; Y358-L382 HydrophobicContact CE2-CD2 3.71Å
359	P	91.5	Very high	90.1	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-56.8	138.6	179	-25.2	29.9	0	0	0	114.7	F355 V361 F372 L382 L417 W420	F355-P359 VanDerWaalsContact CE1-CD 3.43Å; F355-P359 HydrophobicContact CE1-CG 4.13Å; F355-P359 HydrophobicContact CZ-CG 4.43Å; P359-V361 HydrophobicContact CB-CG2 4.11Å; P359-F372 HydrophobicContact CB-CB 3.98Å; P359-F372 HydrophobicContact CB-CD2 4.43Å; P359-F372 HydrophobicContact CB-CG 4.44Å; P359-F372 CarbonylContact O-C 3.57Å; P359-F372 VanDerWaalsContact O-C 3.29Å; P359-F372 WeakPolarHBondContact O-CB 3.27Å; P359-L382 HydrophobicContact CG-CD1 3.96Å; P359-L382 HydrophobicContact CG-CD2 3.96Å; P359-L417 HydrophobicContact CB-CD1 4.2Å; P359-L417 HydrophobicContact CG-CD1 3.94Å; P359-W420 VanDerWaalsContact CA-CE2 3.44Å; P359-W420 HydrophobicContact CB-CD2 3.79Å; P359-W420 HydrophobicContact CB-CE3 3.92Å; P359-W420 HydrophobicContact CB-CG 4.26Å; P359-W420 HydrophobicContact CB-CH2 4.37Å; P359-W420 HydrophobicContact CB-CZ2 4.26Å; P359-W420 HydrophobicContact CB-CZ3 4.22Å; P359-W420 HydrophobicContact CG-CD2 4.14Å; P359-W420 HydrophobicContact CG-CE3 3.75Å; P359-W420 HydrophobicContact CG-CH2 3.93Å; P359-W420 HydrophobicContact CG-CZ2 4.3Å; P359-W420 HydrophobicContact CG-CZ3 3.64Å
360	S	87.8	Confident	89.9	Confident	61 Å²	61	59.6 Å²	59.6	43%	0.427	33%	0.331	S	S	.	.			trans	-114.7	101.3	167.3	-65.4	0	0	0	0	107.3	F372 P374	S360-F372 VanDerWaalsContact CA-O 3.32Å; S360-F372 WeakPolarHBondContact CA-O 3.29Å; S360-P374 VanDerWaalsContact OG-CD 3.26Å; S360-P374 WeakPolarHBondContact OG-CD 3.36Å; S360-P374 VanDerWaalsContact OG-CG 3.26Å; S360-P374 WeakPolarHBondContact OG-CG 3.42Å
361	V	86.2	Confident	89.7	Confident	9 Å²	9	58.7 Å²	58.7	6%	0.055	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	125.9	-174.3	178.1	0	0	0	0	108.6	P359 L370 A371 F372 P416 W420	P359-V361 HydrophobicContact CB-CG2 4.11Å; V361-L370 CarbonylContact O-C 3.45Å; V361-L370 WeakPolarHBondContact O-CA 3.37Å; V361-A371 PolarHBondContact O-N 3.25Å; V361-F372 HydrophobicContact CB-CB 4.16Å; V361-F372 HydrophobicContact CB-CD2 3.82Å; V361-F372 HydrophobicContact CB-CG 4.46Å; V361-F372 HydrophobicContact CG1-CD2 4.38Å; V361-F372 HydrophobicContact CG2-CB 4.43Å; V361-F372 HydrophobicContact CG2-CD2 3.91Å; V361-F372 PolarHBondContact N-O 3.49Å; V361-F372 PolarHBondContact O-N 3.5Å; V361-P416 HydrophobicContact CG1-CB 3.45Å; V361-P416 VanDerWaalsContact CG1-CB 3.45Å; V361-W420 HydrophobicContact CG2-CB 3.86Å; V361-W420 HydrophobicContact CG2-CG 4.11Å
362	V	84.6	Confident	89.6	Confident	77 Å²	77	56 Å²	56	47%	0.467	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	140.9	175.5	-179.4	0	0	0	0	109.3	P364 L370	V362-P364 WeakPolarHBondContact O-CD 3.41Å; V362-L370 HydrophobicContact CB-CD2 4.48Å; V362-L370 HydrophobicContact CG2-CD2 3.84Å
363	D	87.1	Confident	89.5	Confident	40 Å²	40	54.5 Å²	54.5	21%	0.214	31%	0.308	C	S	.	.			trans	-69.3	123.3	175	-163.5	-51.3	0	0	0	110.3	T365 D366 T369 A371	D363-T365 PolarHBondContact O-N 3.18Å; D363-T365 WeakPolarHBondContact OD1-CA 3.42Å; D363-T365 WeakPolarHBondContact OD1-CB 3.46Å; D363-T365 PolarHBondContact OD1-N 3.04Å; D363-T365 PolarHBondContact OD1-OG1 2.93Å; D363-D366 HydrophobicContact CB-CB 4.42Å; D363-D366 CarbonylContact O-C 3.56Å; D363-D366 VanDerWaalsContact O-C 3.24Å; D363-D366 PolarHBondContact O-N 3.2Å; D363-D366 PolarHBondContact OD1-N 2.68Å; D363-T369 PolarHBondContact N-O 2.76Å; D363-A371 HydrophobicContact CB-CB 4Å
364	P	82.8	Confident	89.4	Confident	72 Å²	72	53.4 Å²	53.4	47%	0.468	31%	0.305	S	S	.	.	S	Bend	trans	-61.8	-23.2	177.1	-23.8	34.7	0	0	0	114.1	V362 L413 P416	V362-P364 WeakPolarHBondContact O-CD 3.41Å; P364-L413 VanDerWaalsContact CD-CD2 3.46Å; P364-L413 HydrophobicContact CG-CD2 4.11Å; P364-P416 HydrophobicContact CG-CG 3.88Å
365	T	87.8	Confident	89.3	Confident	117 Å²	117	62.9 Å²	62.9	72%	0.718	35%	0.346	S	S	*	.	S	Bend	trans	-93.1	-20.7	179.6	65.1	0	0	0	0	113.1	D363	D363-T365 PolarHBondContact O-N 3.18Å; D363-T365 WeakPolarHBondContact OD1-CA 3.42Å; D363-T365 WeakPolarHBondContact OD1-CB 3.46Å; D363-T365 PolarHBondContact OD1-N 3.04Å; D363-T365 PolarHBondContact OD1-OG1 2.93Å
366	D	88.2	Confident	89.2	Confident	62 Å²	62	71.2 Å²	71.2	33%	0.332	38%	0.383	S	S	.	.			trans	-140.3	94.6	176.6	177.6	18.7	0	0	0	111.4	D363 K368 T369	D363-D366 HydrophobicContact CB-CB 4.42Å; D363-D366 CarbonylContact O-C 3.56Å; D363-D366 VanDerWaalsContact O-C 3.24Å; D363-D366 PolarHBondContact O-N 3.2Å; D363-D366 PolarHBondContact OD1-N 2.68Å; D366-K368 PolarHBondContact O-N 3.25Å; D366-K368 PolarHBondContact OD1-N 2.74Å; D366-T369 WeakPolarHBondContact CB-OG1 3.08Å; D366-T369 VanDerWaalsContact CG-OG1 3.3Å; D366-T369 PolarHBondContact O-N 3.14Å; D366-T369 PolarHBondContact O-OG1 3.4Å; D366-T369 WeakPolarHBondContact OD2-CB 3.35Å; D366-T369 WeakPolarHBondContact OD2-CG2 3.3Å; D366-T369 PolarHBondContact OD2-OG1 3.15Å
367	P	85.2	Confident	89.3	Confident	107 Å²	107	71 Å²	71	70%	0.695	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-15	-178.1	-25.8	34.7	0	0	0	115.1
368	K	86.2	Confident	89.6	Confident	196 Å²	196	73 Å²	73	85%	0.852	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-12.1	179.7	-63.9	-178.4	-179.1	177.4	0	112.9	D366	D366-K368 PolarHBondContact O-N 3.25Å; D366-K368 PolarHBondContact OD1-N 2.74Å
369	T	89.9	Confident	89.7	Confident	63 Å²	63	74.1 Å²	74.1	39%	0.387	39%	0.394	S	S	.	.	S	Bend	trans	-120.1	154	-175.7	59.4	0	0	0	0	112.5	D363 D366	D363-T369 PolarHBondContact N-O 2.76Å; D366-T369 WeakPolarHBondContact CB-OG1 3.08Å; D366-T369 VanDerWaalsContact CG-OG1 3.3Å; D366-T369 PolarHBondContact O-N 3.14Å; D366-T369 PolarHBondContact O-OG1 3.4Å; D366-T369 WeakPolarHBondContact OD2-CB 3.35Å; D366-T369 WeakPolarHBondContact OD2-CG2 3.3Å; D366-T369 PolarHBondContact OD2-OG1 3.15Å
370	L	89.9	Confident	89.9	Confident	76 Å²	76	80.2 Å²	80.2	40%	0.398	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	115.4	174.9	-65.3	-178.9	0	0	0	109.1	V361 V362 F372 N373	V361-L370 CarbonylContact O-C 3.45Å; V361-L370 WeakPolarHBondContact O-CA 3.37Å; V362-L370 HydrophobicContact CB-CD2 4.48Å; V362-L370 HydrophobicContact CG2-CD2 3.84Å; L370-F372 VanDerWaalsContact C-N 3.31Å; L370-N373 HydrophobicContact CB-CB 4.07Å; L370-N373 HydrophobicContact CD1-CB 4.36Å
371	A	91	Very high	90.3	Very high	28 Å²	28	80.8 Å²	80.8	23%	0.231	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	-38	172.3	0	0	0	0	0	111.9	V361 D363 L413	V361-A371 PolarHBondContact O-N 3.25Å; D363-A371 HydrophobicContact CB-CB 4Å; A371-L413 HydrophobicContact CB-CD1 3.68Å; A371-L413 HydrophobicContact CB-CD2 3.53Å; A371-L413 HydrophobicContact CB-CG 4.29Å
372	F	93.9	Very high	90.7	Very high	0 Å²	0	80.3 Å²	80.3	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	121.9	168.6	-60.7	-53.1	0	0	0	109.6	Y358 P359 S360 V361 L370 R381 L382 A385 L413 L417	Y358-F372 HydrophobicContact CE1-CB 4Å; P359-F372 HydrophobicContact CB-CB 3.98Å; P359-F372 HydrophobicContact CB-CD2 4.43Å; P359-F372 HydrophobicContact CB-CG 4.44Å; P359-F372 CarbonylContact O-C 3.57Å; P359-F372 VanDerWaalsContact O-C 3.29Å; P359-F372 WeakPolarHBondContact O-CB 3.27Å; S360-F372 VanDerWaalsContact CA-O 3.32Å; S360-F372 WeakPolarHBondContact CA-O 3.29Å; V361-F372 HydrophobicContact CB-CB 4.16Å; V361-F372 HydrophobicContact CB-CD2 3.82Å; V361-F372 HydrophobicContact CB-CG 4.46Å; V361-F372 HydrophobicContact CG1-CD2 4.38Å; V361-F372 HydrophobicContact CG2-CB 4.43Å; V361-F372 HydrophobicContact CG2-CD2 3.91Å; V361-F372 PolarHBondContact N-O 3.49Å; V361-F372 PolarHBondContact O-N 3.5Å; L370-F372 VanDerWaalsContact C-N 3.31Å; F372-R381 HydrophobicContact CE1-CB 4.33Å; F372-R381 HydrophobicContact CE1-CG 3.86Å; F372-R381 HydrophobicContact CZ-CG 4.35Å; F372-L382 HydrophobicContact CD1-CB 4.22Å; F372-L382 HydrophobicContact CD1-CD1 4.06Å; F372-L382 HydrophobicContact CD2-CD1 3.94Å; F372-L382 HydrophobicContact CE1-CB 3.74Å; F372-L382 HydrophobicContact CE1-CD1 3.84Å; F372-L382 HydrophobicContact CE1-CG 4.4Å; F372-L382 HydrophobicContact CE2-CD1 3.71Å; F372-L382 HydrophobicContact CG-CD1 4.13Å; F372-L382 HydrophobicContact CZ-CB 4.2Å; F372-L382 HydrophobicContact CZ-CD1 3.67Å; F372-A385 HydrophobicContact CE2-CB 4.2Å; F372-A385 HydrophobicContact CZ-CB 3.79Å; F372-L413 HydrophobicContact CE1-CD1 4.23Å; F372-L413 HydrophobicContact CE2-CB 4.06Å; F372-L413 HydrophobicContact CE2-CD1 3.82Å; F372-L413 HydrophobicContact CE2-CG 4.49Å; F372-L413 HydrophobicContact CZ-CB 4.3Å; F372-L413 HydrophobicContact CZ-CD1 3.6Å; F372-L417 HydrophobicContact CE2-CB 4.41Å; F372-L417 HydrophobicContact CE2-CD1 4.45Å
373	N	91.1	Very high	91.3	Very high	47 Å²	47	78.3 Å²	78.3	25%	0.251	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-130.4	123.3	-175.5	-173	-25.7	0	0	0	110.8	L370 K375 K376 K377	L370-N373 HydrophobicContact CB-CB 4.07Å; L370-N373 HydrophobicContact CD1-CB 4.36Å; N373-K375 PolarHBondContact O-N 3.29Å; N373-K375 VanDerWaalsContact O-N 3.12Å; N373-K375 WeakPolarHBondContact OD1-CB 3.34Å; N373-K375 PolarHBondContact OD1-N 2.84Å; N373-K376 CarbonylContact O-C 3.59Å; N373-K376 PolarHBondContact O-N 2.9Å; N373-K376 VanDerWaalsContact O-O 3.06Å; N373-K377 PolarHBondContact O-N 3.43Å
374	P	90.3	Very high	91.7	Very high	46 Å²	46	82.8 Å²	82.8	30%	0.299	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-27.4	176.9	-26.1	34.5	0	0	0	114.7	Y358 S360 K377	Y358-P374 HydrophobicContact CD1-CG 4.38Å; S360-P374 VanDerWaalsContact OG-CD 3.26Å; S360-P374 WeakPolarHBondContact OG-CD 3.36Å; S360-P374 VanDerWaalsContact OG-CG 3.26Å; S360-P374 WeakPolarHBondContact OG-CG 3.42Å; P374-K377 VanDerWaalsContact O-CE 3.3Å; P374-K377 WeakPolarHBondContact O-CE 3.23Å; P374-K377 WeakPolarHBondContact O-CG 3.49Å
375	K	91.2	Very high	92.3	Very high	201 Å²	201	79.4 Å²	79.4	87%	0.874	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-24.8	176.6	-60.6	-176.9	179.5	179.2	0	112.9	N373	N373-K375 PolarHBondContact O-N 3.29Å; N373-K375 VanDerWaalsContact O-N 3.12Å; N373-K375 WeakPolarHBondContact OD1-CB 3.34Å; N373-K375 PolarHBondContact OD1-N 2.84Å
376	K	92.6	Very high	92.7	Very high	177 Å²	177	73.8 Å²	73.8	77%	0.77	36%	0.359	S	S	*	.	B	Isolated β-bridge	trans	-134.2	78.3	179.5	-171.2	-178.4	179.4	-178.5	0	109.2	N373	N373-K376 CarbonylContact O-C 3.59Å; N373-K376 PolarHBondContact O-N 2.9Å; N373-K376 VanDerWaalsContact O-O 3.06Å
377	K	94.6	Very high	93	Very high	77 Å²	77	75.1 Å²	75.1	34%	0.335	37%	0.366	S	S	.	.			trans	-71.9	127.9	-175.6	-55.5	-171.1	179.8	-169.4	0	110.4	E356 Y358 N373 P374 Y379	E356-K377 IonicContact OE2-NZ 3.76Å; E356-K377 PolarHBondContact OE2-NZ 3.08Å; Y358-K377 HydrophobicContact CD1-CG 4.22Å; Y358-K377 HydrophobicContact CD2-CB 4.04Å; Y358-K377 HydrophobicContact CD2-CD 3.78Å; Y358-K377 HydrophobicContact CD2-CG 3.81Å; Y358-K377 HydrophobicContact CE1-CB 4.48Å; Y358-K377 HydrophobicContact CE1-CG 4.43Å; Y358-K377 HydrophobicContact CE2-CB 3.76Å; Y358-K377 HydrophobicContact CE2-CD 4.38Å; Y358-K377 HydrophobicContact CE2-CG 4.05Å; Y358-K377 HydrophobicContact CG-CD 4.02Å; Y358-K377 HydrophobicContact CG-CG 3.92Å; N373-K377 PolarHBondContact O-N 3.43Å; P374-K377 VanDerWaalsContact O-CE 3.3Å; P374-K377 WeakPolarHBondContact O-CE 3.23Å; P374-K377 WeakPolarHBondContact O-CG 3.49Å; K377-Y379 HydrophobicContact CB-CE2 3.91Å; K377-Y379 HydrophobicContact CD-CE2 4.41Å; K377-Y379 WeakPolarHBondContact CD-OH 3.28Å
378	N	95.2	Very high	93.4	Very high	73 Å²	73	71.2 Å²	71.2	39%	0.39	34%	0.341	S	S	.	.			trans	-123.1	103	170.9	-175.5	-29.3	0	0	0	108.3	Y358 E380 R381 L382	Y358-N378 PolarHBondContact OH-N 3.42Å; Y358-N378 PolarHBondContact OH-O 3Å; N378-E380 PolarHBondContact OD1-N 3.38Å; N378-E380 PolarHBondContact OD1-OE2 3.35Å; N378-R381 HydrophobicContact CB-CB 4.29Å; N378-R381 VanDerWaalsContact CG-CB 3.49Å; N378-R381 VanDerWaalsContact OD1-CB 3.29Å; N378-R381 WeakPolarHBondContact OD1-CB 3.05Å; N378-R381 PolarHBondContact OD1-N 3.02Å; N378-L382 VanDerWaalsContact O-CB 3.27Å; N378-L382 WeakPolarHBondContact O-CB 3.27Å; N378-L382 PolarHBondContact O-N 3.26Å
379	Y	96.1	Very high	93.5	Very high	28 Å²	28	62.5 Å²	62.5	11%	0.11	30%	0.304	C	S	.	.	H	α-helix	trans	-80.3	-31.5	-173.8	-68.1	-78.6	0	0	0	111.8	L346 K351 S352 F355 Y358 K377 L382 Q383	L346-Y379 HydrophobicContact CD2-CD1 3.89Å; K351-Y379 HydrophobicContact CB-CE1 4.43Å; K351-Y379 HydrophobicContact CD-CD1 4.11Å; K351-Y379 HydrophobicContact CD-CG 4.19Å; K351-Y379 HydrophobicContact CG-CD1 4.08Å; K351-Y379 HydrophobicContact CG-CE1 4.23Å; K351-Y379 HydrophobicContact CG-CG 4.37Å; S352-Y379 WeakPolarHBondContact CA-OH 2.82Å; F355-Y379 HydrophobicContact CB-CE1 4.3Å; F355-Y379 HydrophobicContact CD1-CE1 4.23Å; Y358-Y379 HydrophobicContact CD2-CE1 4.12Å; Y358-Y379 HydrophobicContact CE2-CD1 4.22Å; Y358-Y379 HydrophobicContact CE2-CE1 4.02Å; K377-Y379 HydrophobicContact CB-CE2 3.91Å; K377-Y379 HydrophobicContact CD-CE2 4.41Å; K377-Y379 WeakPolarHBondContact CD-OH 3.28Å; Y379-L382 PolarHBondContact O-N 3.25Å; Y379-Q383 WeakPolarHBondContact O-CB 3.25Å; Y379-Q383 PolarHBondContact O-N 3.15Å
380	E	95.5	Very high	93.2	Very high	128 Å²	128	60.9 Å²	60.9	60%	0.598	29%	0.293	S	S	*	.	H	α-helix	trans	-68.7	-47.4	-178.2	-63.7	64.9	-140.5	0	0	110.4	N378 L382 Q383 K384	N378-E380 PolarHBondContact OD1-N 3.38Å; N378-E380 PolarHBondContact OD1-OE2 3.35Å; E380-L382 VanDerWaalsContact C-N 3.29Å; E380-L382 PolarHBondContact O-N 2.91Å; E380-Q383 PolarHBondContact O-N 3.48Å; E380-K384 PolarHBondContact O-N 3.01Å
381	R	95.8	Very high	92.9	Very high	72 Å²	72	59.9 Å²	59.9	27%	0.272	29%	0.292	S	S	.	.	H	α-helix	trans	-63.5	-38.1	175.5	179.3	62.6	-171.4	97.5	-11.1	111.8	F372 N378 K384 A385 D411 L413	F372-R381 HydrophobicContact CE1-CB 4.33Å; F372-R381 HydrophobicContact CE1-CG 3.86Å; F372-R381 HydrophobicContact CZ-CG 4.35Å; N378-R381 HydrophobicContact CB-CB 4.29Å; N378-R381 VanDerWaalsContact CG-CB 3.49Å; N378-R381 VanDerWaalsContact OD1-CB 3.29Å; N378-R381 WeakPolarHBondContact OD1-CB 3.05Å; N378-R381 PolarHBondContact OD1-N 3.02Å; R381-K384 PolarHBondContact O-N 2.68Å; R381-A385 PolarHBondContact O-N 2.93Å; R381-D411 IonicContact CZ-OD1 3.73Å; R381-D411 IonicContact CZ-OD2 3.4Å; R381-D411 IonicContact NH1-OD1 3.83Å; R381-D411 IonicContact NH1-OD2 3.72Å; R381-D411 PolarHBondContact NH1-OD2 2.93Å; R381-D411 IonicContact NH2-OD1 3.98Å; R381-D411 PolarHBondContact NH2-OD1 3.16Å; R381-D411 IonicContact NH2-OD2 2.84Å; R381-D411 PolarHBondContact NH2-OD2 3.17Å; R381-L413 VanDerWaalsContact CZ-CD1 3.4Å
382	L	96.2	Very high	92.4	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-68.3	-42.9	179.4	-179	61.7	0	0	0	111.7	L346 F355 Y358 P359 F372 N378 Y379 E380 K384 A385 L386 L417	L346-L382 HydrophobicContact CD1-CD2 4.07Å; L346-L382 HydrophobicContact CD1-CG 3.85Å; L346-L382 HydrophobicContact CD2-CD2 3.76Å; L346-L382 HydrophobicContact CD2-CG 4.33Å; F355-L382 HydrophobicContact CD1-CD2 4.4Å; F355-L382 HydrophobicContact CE1-CD2 3.49Å; F355-L382 VanDerWaalsContact CE1-CD2 3.49Å; F355-L382 HydrophobicContact CZ-CD2 3.88Å; Y358-L382 HydrophobicContact CD2-CD2 4.4Å; Y358-L382 HydrophobicContact CE2-CD2 3.71Å; P359-L382 HydrophobicContact CG-CD1 3.96Å; P359-L382 HydrophobicContact CG-CD2 3.96Å; F372-L382 HydrophobicContact CD1-CB 4.22Å; F372-L382 HydrophobicContact CD1-CD1 4.06Å; F372-L382 HydrophobicContact CD2-CD1 3.94Å; F372-L382 HydrophobicContact CE1-CB 3.74Å; F372-L382 HydrophobicContact CE1-CD1 3.84Å; F372-L382 HydrophobicContact CE1-CG 4.4Å; F372-L382 HydrophobicContact CE2-CD1 3.71Å; F372-L382 HydrophobicContact CG-CD1 4.13Å; F372-L382 HydrophobicContact CZ-CB 4.2Å; F372-L382 HydrophobicContact CZ-CD1 3.67Å; N378-L382 VanDerWaalsContact O-CB 3.27Å; N378-L382 WeakPolarHBondContact O-CB 3.27Å; N378-L382 PolarHBondContact O-N 3.26Å; Y379-L382 PolarHBondContact O-N 3.25Å; E380-L382 VanDerWaalsContact C-N 3.29Å; E380-L382 PolarHBondContact O-N 2.91Å; L382-K384 PolarHBondContact O-N 2.85Å; L382-A385 PolarHBondContact O-N 3.11Å; L382-L386 WeakPolarHBondContact O-CB 3.25Å; L382-L386 PolarHBondContact O-N 3.25Å; L382-L417 HydrophobicContact CD1-CD1 3.56Å; L382-L417 HydrophobicContact CD1-CD2 3.65Å; L382-L417 HydrophobicContact CD1-CG 4.25Å
383	Q	96.2	Very high	91.5	Very high	35 Å²	35	64.8 Å²	64.8	16%	0.164	31%	0.305	C	S	.	.	H	α-helix	trans	-58.9	-46.9	173.2	-175	65.7	56.2	0	0	110.9	L346 Y379 E380 A385 L386 D387	L346-Q383 VanDerWaalsContact CB-OE1 3.26Å; Y379-Q383 WeakPolarHBondContact O-CB 3.25Å; Y379-Q383 PolarHBondContact O-N 3.15Å; E380-Q383 PolarHBondContact O-N 3.48Å; Q383-A385 VanDerWaalsContact C-N 3.34Å; Q383-A385 PolarHBondContact O-N 2.75Å; Q383-L386 CarbonylContact O-C 3.06Å; Q383-L386 PolarHBondContact O-N 3.27Å; Q383-L386 VanDerWaalsContact O-N 3.1Å; Q383-D387 PolarHBondContact NE2-OD1 3.5Å; Q383-D387 WeakPolarHBondContact O-CB 3.38Å; Q383-D387 PolarHBondContact O-N 2.9Å
384	K	96.1	Very high	90.8	Very high	134 Å²	134	66.8 Å²	66.8	58%	0.583	31%	0.313	S	S	*	.	H	α-helix	trans	-59.8	-41.3	177.8	-172.9	-180	179.2	-177.2	0	112.9	E380 R381 L382 D387 S388	E380-K384 PolarHBondContact O-N 3.01Å; R381-K384 PolarHBondContact O-N 2.68Å; L382-K384 PolarHBondContact O-N 2.85Å; K384-D387 PolarHBondContact O-N 3.49Å; K384-S388 PolarHBondContact O-N 3.25Å; K384-S388 PolarHBondContact O-OG 2.79Å
385	A	96	Very high	90.1	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-63.4	-43.8	174.2	0	0	0	0	0	111.2	F372 R381 L382 Q383 S388 V389 D411 L413 L417	F372-A385 HydrophobicContact CE2-CB 4.2Å; F372-A385 HydrophobicContact CZ-CB 3.79Å; R381-A385 PolarHBondContact O-N 2.93Å; L382-A385 PolarHBondContact O-N 3.11Å; Q383-A385 VanDerWaalsContact C-N 3.34Å; Q383-A385 PolarHBondContact O-N 2.75Å; A385-S388 WeakPolarHBondContact O-CB 3.49Å; A385-S388 PolarHBondContact O-N 3.24Å; A385-S388 VanDerWaalsContact O-N 3.16Å; A385-V389 PolarHBondContact O-N 3.21Å; A385-D411 WeakPolarHBondContact CA-OD2 3.26Å; A385-L413 HydrophobicContact CB-CB 4.03Å; A385-L417 HydrophobicContact CB-CD2 3.84Å
386	L	95.2	Very high	89.2	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-67.2	-36.2	179	-171.9	62.4	0	0	0	112.6	V339 C342 R343 L346 L382 Q383 S388 V389 L417 I421	V339-L386 HydrophobicContact CG1-CD1 4.21Å; C342-L386 HydrophobicContact CB-CD2 4.47Å; R343-L386 HydrophobicContact CB-CD2 3.81Å; R343-L386 HydrophobicContact CG-CD2 4.43Å; R343-L386 PolarHBondContact NH2-O 3.45Å; L346-L386 HydrophobicContact CD1-CB 4.49Å; L346-L386 HydrophobicContact CD1-CD2 3.68Å; L382-L386 WeakPolarHBondContact O-CB 3.25Å; L382-L386 PolarHBondContact O-N 3.25Å; Q383-L386 CarbonylContact O-C 3.06Å; Q383-L386 PolarHBondContact O-N 3.27Å; Q383-L386 VanDerWaalsContact O-N 3.1Å; L386-S388 PolarHBondContact O-N 2.64Å; L386-V389 HydrophobicContact CD1-CG2 4.2Å; L386-V389 WeakPolarHBondContact O-CB 3.37Å; L386-V389 PolarHBondContact O-N 2.69Å; L386-V389 VanDerWaalsContact O-N 3.17Å; L386-L417 HydrophobicContact CB-CD2 3.95Å; L386-L417 HydrophobicContact CD1-CD2 4.25Å; L386-I421 HydrophobicContact CD1-CD1 3.81Å
387	D	93.9	Very high	88.1	Confident	90 Å²	90	56.6 Å²	56.6	48%	0.481	27%	0.271	S	S	.	.	H	α-helix	trans	-64.2	-25.3	173.9	-66.2	-20.3	0	0	0	112.2	R343 Q383 K384	R343-D387 IonicContact CZ-OD1 2.96Å; R343-D387 IonicContact NH1-OD1 2.92Å; R343-D387 PolarHBondContact NH1-OD1 2.93Å; Q383-D387 PolarHBondContact NE2-OD1 3.5Å; Q383-D387 WeakPolarHBondContact O-CB 3.38Å; Q383-D387 PolarHBondContact O-N 2.9Å; K384-D387 PolarHBondContact O-N 3.49Å
388	S	94.2	Very high	86.6	Confident	24 Å²	24	54 Å²	54	17%	0.168	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-4.9	177.4	-53.2	0	0	0	0	113.2	K384 A385 L386 M390 D411	K384-S388 PolarHBondContact O-N 3.25Å; K384-S388 PolarHBondContact O-OG 2.79Å; A385-S388 WeakPolarHBondContact O-CB 3.49Å; A385-S388 PolarHBondContact O-N 3.24Å; A385-S388 VanDerWaalsContact O-N 3.16Å; L386-S388 PolarHBondContact O-N 2.64Å; S388-M390 PolarHBondContact O-N 2.7Å; S388-D411 VanDerWaalsContact CB-CB 3.48Å
389	V	89.5	Confident	85.1	Confident	13 Å²	13	51.7 Å²	51.7	8%	0.079	26%	0.256	C	S	.	.	S	Bend	trans	-72	116.1	169.9	177.1	0	0	0	0	108.2	A385 L386 A414 L418	A385-V389 PolarHBondContact O-N 3.21Å; L386-V389 HydrophobicContact CD1-CG2 4.2Å; L386-V389 WeakPolarHBondContact O-CB 3.37Å; L386-V389 PolarHBondContact O-N 2.69Å; L386-V389 VanDerWaalsContact O-N 3.17Å; V389-A414 HydrophobicContact CG2-CB 4.19Å; V389-L418 HydrophobicContact CG1-CB 4.46Å; V389-L418 HydrophobicContact CG1-CD1 4.18Å; V389-L418 HydrophobicContact CG1-CD2 4.47Å
390	M	83.4	Confident	83.6	Confident	29 Å²	29	51.9 Å²	51.9	14%	0.143	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-57.6	154	178.4	-64	177.1	69.1	0	0	111.5	S388 E394 M395 I403 Q406 M407 L410	S388-M390 PolarHBondContact O-N 2.7Å; M390-E394 HydrophobicContact CE-CB 3.92Å; M390-M395 HydrophobicContact CB-CG 3.94Å; M390-I403 HydrophobicContact CE-CD1 4.17Å; M390-I403 HydrophobicContact SD-CD1 4.5Å; M390-I403 HydrophobicContact SD-CG2 4.41Å; M390-Q406 HydrophobicContact SD-CB 3.96Å; M390-M407 HydrophobicContact CG-CG 3.91Å; M390-M407 HydrophobicContact SD-CG 3.94Å; M390-L410 HydrophobicContact CG-CD1 4.21Å
391	S	82.8	Confident	82.3	Confident	56 Å²	56	50.5 Å²	50.5	39%	0.392	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-64.4	144.3	175.7	72.5	0	0	0	0	110.1	R393 E394 M395	S391-R393 PolarHBondContact O-N 2.85Å; S391-R393 VanDerWaalsContact O-N 3.08Å; S391-E394 VanDerWaalsContact CB-OE2 3.31Å; S391-E394 WeakPolarHBondContact CB-OE2 3.49Å; S391-E394 PolarHBondContact N-OE2 3.38Å; S391-E394 PolarHBondContact O-N 3.24Å; S391-E394 VanDerWaalsContact OG-CG 3.25Å; S391-E394 WeakPolarHBondContact OG-CG 3.41Å; S391-E394 PolarHBondContact OG-N 3.32Å; S391-E394 PolarHBondContact OG-OE2 3.25Å; S391-M395 WeakPolarHBondContact O-CG 3.47Å; S391-M395 PolarHBondContact O-N 3.48Å
392	I	80.1	Confident	81.3	Confident	4 Å²	4	51.1 Å²	51.1	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-55.9	-31.5	177.8	-68.1	-41.3	0	0	0	112.1	F295 A332 V335 D336 M395 T396 F555	F295-I392 HydrophobicContact CE1-CD1 4.09Å; F295-I392 HydrophobicContact CE1-CG2 3.59Å; F295-I392 HydrophobicContact CZ-CB 4.36Å; F295-I392 HydrophobicContact CZ-CD1 3.93Å; F295-I392 HydrophobicContact CZ-CG1 4.15Å; F295-I392 HydrophobicContact CZ-CG2 3.41Å; F295-I392 VanDerWaalsContact CZ-CG2 3.41Å; A332-I392 WeakPolarHBondContact O-CG2 3.26Å; V335-I392 HydrophobicContact CB-CD1 4.38Å; V335-I392 HydrophobicContact CG1-CD1 3.82Å; D336-I392 HydrophobicContact CB-CB 4.07Å; D336-I392 HydrophobicContact CB-CG1 3.73Å; D336-I392 HydrophobicContact CB-CG2 4.25Å; I392-M395 HydrophobicContact CD1-SD 3.6Å; I392-M395 WeakPolarHBondContact O-CB 3.48Å; I392-M395 PolarHBondContact O-N 2.97Å; I392-T396 WeakPolarHBondContact O-CG2 3.45Å; I392-T396 PolarHBondContact O-N 3.44Å; I392-F555 HydrophobicContact CB-CD1 4.45Å; I392-F555 HydrophobicContact CG2-CD1 3.65Å; I392-F555 HydrophobicContact CG2-CE1 3.32Å; I392-F555 HydrophobicContact CG2-CG 4.44Å; I392-F555 HydrophobicContact CG2-CZ 3.86Å
393	R	75.9	Confident	80.3	Confident	126 Å²	126	51.3 Å²	51.3	48%	0.475	26%	0.26	S	S	.	.	H	α-helix	trans	-60.9	-48.9	174.9	-176.4	-179.2	-72	-169.6	-1.3	111.7	S391 M395 T396 Q397 F555	S391-R393 PolarHBondContact O-N 2.85Å; S391-R393 VanDerWaalsContact O-N 3.08Å; R393-M395 VanDerWaalsContact C-N 3.32Å; R393-T396 PolarHBondContact O-N 2.84Å; R393-T396 PolarHBondContact O-OG1 2.64Å; R393-Q397 WeakPolarHBondContact O-CG 3.49Å; R393-F555 HydrophobicContact CB-CD2 4.37Å
394	E	75.8	Confident	79.4	Confident	90 Å²	90	52.7 Å²	52.7	42%	0.421	27%	0.265	S	S	.	.	H	α-helix	trans	-65.7	-39.1	177.8	-66.4	160.1	137.2	0	0	111	M390 S391 T396 Q397	M390-E394 HydrophobicContact CE-CB 3.92Å; S391-E394 VanDerWaalsContact CB-OE2 3.31Å; S391-E394 WeakPolarHBondContact CB-OE2 3.49Å; S391-E394 PolarHBondContact N-OE2 3.38Å; S391-E394 PolarHBondContact O-N 3.24Å; S391-E394 VanDerWaalsContact OG-CG 3.25Å; S391-E394 WeakPolarHBondContact OG-CG 3.41Å; S391-E394 PolarHBondContact OG-N 3.32Å; S391-E394 PolarHBondContact OG-OE2 3.25Å; E394-T396 PolarHBondContact O-N 3.05Å; E394-T396 VanDerWaalsContact O-N 3.15Å; E394-Q397 WeakPolarHBondContact O-CB 3.26Å; E394-Q397 PolarHBondContact O-N 3.33Å
395	M	76.5	Confident	78.8	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.015	26%	0.264	C	S	.	.	H	α-helix	trans	-61.1	-23.4	177.7	-71.9	-169.4	81	0	0	114.1	N297 M390 S391 I392 R393 I403 M407 L418	N297-M395 HydrophobicContact CB-CE 3.51Å; N297-M395 WeakPolarHBondContact ND2-CB 3.44Å; N297-M395 WeakPolarHBondContact ND2-CE 3.42Å; N297-M395 PolarHBondContact ND2-O 3.29Å; M390-M395 HydrophobicContact CB-CG 3.94Å; S391-M395 WeakPolarHBondContact O-CG 3.47Å; S391-M395 PolarHBondContact O-N 3.48Å; I392-M395 HydrophobicContact CD1-SD 3.6Å; I392-M395 WeakPolarHBondContact O-CB 3.48Å; I392-M395 PolarHBondContact O-N 2.97Å; R393-M395 VanDerWaalsContact C-N 3.32Å; M395-I403 HydrophobicContact CB-CG2 4.36Å; M395-I403 HydrophobicContact CE-CG2 3.85Å; M395-I403 HydrophobicContact CG-CG2 3.95Å; M395-M407 HydrophobicContact CE-CE 3.96Å; M395-M407 HydrophobicContact CE-SD 4.25Å; M395-L418 HydrophobicContact CE-CD2 3.19Å; M395-L418 HydrophobicContact SD-CD2 3.78Å
396	T	70.9	Confident	78.4	Confident	57 Å²	57	57.1 Å²	57.1	35%	0.35	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-2.5	175.8	59.1	0	0	0	0	114.3	F295 I392 R393 E394 F555	F295-T396 HydrophobicContact CE1-CG2 4.41Å; I392-T396 WeakPolarHBondContact O-CG2 3.45Å; I392-T396 PolarHBondContact O-N 3.44Å; R393-T396 PolarHBondContact O-N 2.84Å; R393-T396 PolarHBondContact O-OG1 2.64Å; E394-T396 PolarHBondContact O-N 3.05Å; E394-T396 VanDerWaalsContact O-N 3.15Å; T396-F555 HydrophobicContact CG2-CZ 4.19Å
397	Q	70.8	Confident	78.1	Confident	149 Å²	149	57.1 Å²	57.1	70%	0.696	29%	0.286	S	S	*	.	S	Bend	trans	-97.3	-16.5	-174.7	-66.4	175.7	-13.8	0	0	114.3	R393 E394	R393-Q397 WeakPolarHBondContact O-CG 3.49Å; E394-Q397 WeakPolarHBondContact O-CB 3.26Å; E394-Q397 PolarHBondContact O-N 3.33Å
398	G	63.4	Low	77.8	Confident	22 Å²	22	55.2 Å²	55.2	23%	0.227	28%	0.276	C	S	.	.	S	Bend	trans	-127	173.6	-177.7	0	0	0	0	0	112.6
399	S	63.6	Low	77.7	Confident	26 Å²	26	63.1 Å²	63.1	18%	0.182	31%	0.307	C	S	.	.			trans	-71.8	152.3	172.4	68.2	0	0	0	0	111.5	Q296 L401 E402 I403	Q296-S399 VanDerWaalsContact OE1-CA 3.27Å; S399-L401 VanDerWaalsContact C-N 3.29Å; S399-L401 PolarHBondContact O-N 3.16Å; S399-E402 WeakPolarHBondContact CB-OE2 3.4Å; S399-E402 PolarHBondContact N-OE2 3.46Å; S399-E402 PolarHBondContact O-N 3.1Å; S399-E402 VanDerWaalsContact O-N 3.11Å; S399-E402 WeakPolarHBondContact OG-CB 3.3Å; S399-E402 WeakPolarHBondContact OG-CG 3.34Å; S399-E402 PolarHBondContact OG-N 2.99Å; S399-E402 PolarHBondContact OG-OE2 2.96Å; S399-I403 WeakPolarHBondContact O-CG1 3.37Å; S399-I403 PolarHBondContact O-N 3.14Å
400	Y	63.8	Low	77.8	Confident	32 Å²	32	67.8 Å²	67.8	13%	0.125	33%	0.331	C	S	.	.	H	α-helix	trans	-50.4	-47.2	176.7	169.7	-117.9	0	0	0	113.3	Q296 N297 S299 E402 I403 K404 H415	Q296-Y400 WeakPolarHBondContact O-CB 3.13Å; Q296-Y400 WeakPolarHBondContact O-CD2 3.49Å; N297-Y400 VanDerWaalsContact CA-CD2 3.48Å; N297-Y400 HydrophobicContact CB-CD2 4.08Å; N297-Y400 HydrophobicContact CB-CE2 4.44Å; N297-Y400 WeakPolarHBondContact O-CE2 3.46Å; N297-Y400 WeakPolarHBondContact OD1-CA 3.42Å; N297-Y400 WeakPolarHBondContact OD1-CD2 3.39Å; S299-Y400 WeakPolarHBondContact OG-CE1 3.47Å; S299-Y400 PolarHBondContact OG-OH 2.79Å; S299-Y400 VanDerWaalsContact OG-OH 3.13Å; Y400-E402 VanDerWaalsContact C-N 3.28Å; Y400-E402 PolarHBondContact O-N 3.2Å; Y400-I403 PolarHBondContact O-N 2.87Å; Y400-K404 HydrophobicContact CE1-CD 4.33Å; Y400-K404 HydrophobicContact CE2-CB 4.26Å; Y400-K404 VanDerWaalsContact O-CB 3.27Å; Y400-K404 WeakPolarHBondContact O-CB 3.39Å; Y400-K404 PolarHBondContact O-N 2.73Å; Y400-H415 AromaticContact CE2-CD2 3.99Å; Y400-H415 AromaticContact CE2-NE2 3.36Å; Y400-H415 WeakPolarHBondContact CE2-NE2 3.35Å; Y400-H415 AromaticContact CZ-NE2 3.47Å; Y400-H415 PolarHBondContact OH-CE1 3Å; Y400-H415 PolarHBondContact OH-NE2 3.45Å
401	L	67.5	Low	78.4	Confident	99 Å²	99	66.8 Å²	66.8	52%	0.518	33%	0.326	S	S	.	.	H	α-helix	trans	-63.4	-37.1	-177	-176.7	60.7	0	0	0	111.6	S399 K405	S399-L401 VanDerWaalsContact C-N 3.29Å; S399-L401 PolarHBondContact O-N 3.16Å; L401-K405 HydrophobicContact CG-CD 4.35Å; L401-K405 WeakPolarHBondContact O-CB 3.3Å; L401-K405 WeakPolarHBondContact O-CD 3.29Å; L401-K405 WeakPolarHBondContact O-CG 3.43Å; L401-K405 PolarHBondContact O-N 2.83Å
402	E	75.2	Confident	78.9	Confident	85 Å²	85	67 Å²	67	40%	0.397	33%	0.327	S	S	.	.	H	α-helix	trans	-69.6	-46.1	175.1	-69.7	164	150.9	0	0	111.3	S399 Y400 K404 K405 Q406	S399-E402 WeakPolarHBondContact CB-OE2 3.4Å; S399-E402 PolarHBondContact N-OE2 3.46Å; S399-E402 PolarHBondContact O-N 3.1Å; S399-E402 VanDerWaalsContact O-N 3.11Å; S399-E402 WeakPolarHBondContact OG-CB 3.3Å; S399-E402 WeakPolarHBondContact OG-CG 3.34Å; S399-E402 PolarHBondContact OG-N 2.99Å; S399-E402 PolarHBondContact OG-OE2 2.96Å; Y400-E402 VanDerWaalsContact C-N 3.28Å; Y400-E402 PolarHBondContact O-N 3.2Å; E402-K404 PolarHBondContact O-N 2.94Å; E402-K405 PolarHBondContact O-N 3.38Å; E402-Q406 WeakPolarHBondContact O-CB 3.34Å; E402-Q406 VanDerWaalsContact O-CG 3.26Å; E402-Q406 WeakPolarHBondContact O-CG 3.25Å; E402-Q406 PolarHBondContact O-N 3.49Å
403	I	75.5	Confident	79.5	Confident	4 Å²	4	67.1 Å²	67.1	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-63.1	-42.1	179	-66.3	-61	0	0	0	110.9	M390 M395 S399 Y400 Q406 M407	M390-I403 HydrophobicContact CE-CD1 4.17Å; M390-I403 HydrophobicContact SD-CD1 4.5Å; M390-I403 HydrophobicContact SD-CG2 4.41Å; M395-I403 HydrophobicContact CB-CG2 4.36Å; M395-I403 HydrophobicContact CE-CG2 3.85Å; M395-I403 HydrophobicContact CG-CG2 3.95Å; S399-I403 WeakPolarHBondContact O-CG1 3.37Å; S399-I403 PolarHBondContact O-N 3.14Å; Y400-I403 PolarHBondContact O-N 2.87Å; I403-Q406 PolarHBondContact O-N 2.94Å; I403-M407 HydrophobicContact CG2-CE 3.79Å; I403-M407 WeakPolarHBondContact O-CG 3.28Å; I403-M407 PolarHBondContact O-N 3.08Å
404	K	77.1	Confident	80.3	Confident	64 Å²	64	61.1 Å²	61.1	28%	0.278	31%	0.305	S	S	.	.	H	α-helix	trans	-60.4	-50.6	172.1	-178.5	-177.7	-178.3	-64.5	0	111	Y400 E402 Q406 M407 D408	Y400-K404 HydrophobicContact CE1-CD 4.33Å; Y400-K404 HydrophobicContact CE2-CB 4.26Å; Y400-K404 VanDerWaalsContact O-CB 3.27Å; Y400-K404 WeakPolarHBondContact O-CB 3.39Å; Y400-K404 PolarHBondContact O-N 2.73Å; E402-K404 PolarHBondContact O-N 2.94Å; K404-Q406 VanDerWaalsContact C-N 3.25Å; K404-Q406 PolarHBondContact O-N 3.47Å; K404-M407 PolarHBondContact O-N 2.66Å; K404-D408 IonicContact NZ-OD1 3.63Å; K404-D408 IonicContact NZ-OD2 3.25Å; K404-D408 PolarHBondContact NZ-OD2 3.27Å; K404-D408 WeakPolarHBondContact O-CB 3.49Å; K404-D408 PolarHBondContact O-N 2.83Å
405	K	84.2	Confident	80.8	Confident	130 Å²	130	57.1 Å²	57.1	57%	0.565	29%	0.286	S	S	*	.	H	α-helix	trans	-58.3	-37.9	177.2	-77.7	171.4	-179.2	177	0	112.4	L401 E402 K409	L401-K405 HydrophobicContact CG-CD 4.35Å; L401-K405 WeakPolarHBondContact O-CB 3.3Å; L401-K405 WeakPolarHBondContact O-CD 3.29Å; L401-K405 WeakPolarHBondContact O-CG 3.43Å; L401-K405 PolarHBondContact O-N 2.83Å; E402-K405 PolarHBondContact O-N 3.38Å; K405-K409 WeakPolarHBondContact O-CB 3.44Å; K405-K409 PolarHBondContact O-N 2.98Å; K405-K409 VanDerWaalsContact O-N 3.11Å
406	Q	87.5	Confident	81.2	Confident	96 Å²	96	58 Å²	58	45%	0.449	29%	0.292	S	S	.	.	H	α-helix	trans	-67.2	-46.2	176.1	-74	174.7	2.2	0	0	111.5	M390 E402 I403 K404 K409 L410	M390-Q406 HydrophobicContact SD-CB 3.96Å; E402-Q406 WeakPolarHBondContact O-CB 3.34Å; E402-Q406 VanDerWaalsContact O-CG 3.26Å; E402-Q406 WeakPolarHBondContact O-CG 3.25Å; E402-Q406 PolarHBondContact O-N 3.49Å; I403-Q406 PolarHBondContact O-N 2.94Å; K404-Q406 VanDerWaalsContact C-N 3.25Å; K404-Q406 PolarHBondContact O-N 3.47Å; Q406-K409 WeakPolarHBondContact O-CB 3.48Å; Q406-K409 PolarHBondContact O-N 3.47Å; Q406-L410 WeakPolarHBondContact O-CG 3.16Å; Q406-L410 PolarHBondContact O-N 3.48Å; Q406-L410 VanDerWaalsContact O-N 3.14Å
407	M	87.9	Confident	82.1	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.1	-46.7	174.6	-77.3	-173.6	-66.9	0	0	112	M390 M395 I403 K404 K409 L410 D411 A414 H415 L418	M390-M407 HydrophobicContact CG-CG 3.91Å; M390-M407 HydrophobicContact SD-CG 3.94Å; M395-M407 HydrophobicContact CE-CE 3.96Å; M395-M407 HydrophobicContact CE-SD 4.25Å; I403-M407 HydrophobicContact CG2-CE 3.79Å; I403-M407 WeakPolarHBondContact O-CG 3.28Å; I403-M407 PolarHBondContact O-N 3.08Å; K404-M407 PolarHBondContact O-N 2.66Å; M407-K409 PolarHBondContact O-N 2.89Å; M407-L410 WeakPolarHBondContact O-CA 3.39Å; M407-L410 WeakPolarHBondContact O-CB 3.17Å; M407-L410 PolarHBondContact O-N 3.38Å; M407-D411 CarbonylContact O-C 3.45Å; M407-D411 PolarHBondContact O-N 3.15Å; M407-A414 HydrophobicContact CB-CB 4.26Å; M407-H415 HydrophobicContact CB-CB 4.3Å; M407-H415 HydrophobicContact CE-CB 3.88Å; M407-H415 HydrophobicContact SD-CB 4.35Å; M407-L418 HydrophobicContact SD-CD2 4.37Å
408	D	88.2	Confident	82.9	Confident	51 Å²	51	48.2 Å²	48.2	27%	0.273	24%	0.242	S	C	.	.	H	α-helix	trans	-58.4	-33.7	178.5	-68.3	-14.1	0	0	0	111.4	K404	K404-D408 IonicContact NZ-OD1 3.63Å; K404-D408 IonicContact NZ-OD2 3.25Å; K404-D408 PolarHBondContact NZ-OD2 3.27Å; K404-D408 WeakPolarHBondContact O-CB 3.49Å; K404-D408 PolarHBondContact O-N 2.83Å
409	K	92.3	Very high	83.9	Confident	190 Å²	190	50.3 Å²	50.3	83%	0.826	25%	0.246	S	C	*	.	H	α-helix	trans	-70.7	-34.6	174.3	-175.2	-179	178.7	-176.9	0	112.9	K405 Q406 M407	K405-K409 WeakPolarHBondContact O-CB 3.44Å; K405-K409 PolarHBondContact O-N 2.98Å; K405-K409 VanDerWaalsContact O-N 3.11Å; Q406-K409 WeakPolarHBondContact O-CB 3.48Å; Q406-K409 PolarHBondContact O-N 3.47Å; M407-K409 PolarHBondContact O-N 2.89Å
410	L	92.4	Very high	84.9	Confident	111 Å²	111	50.5 Å²	50.5	58%	0.581	24%	0.243	S	C	*	.	H	α-helix	trans	-75.7	-51.5	177.1	-66.4	174.2	0	0	0	110.9	M390 Q406 M407	M390-L410 HydrophobicContact CG-CD1 4.21Å; Q406-L410 WeakPolarHBondContact O-CG 3.16Å; Q406-L410 PolarHBondContact O-N 3.48Å; Q406-L410 VanDerWaalsContact O-N 3.14Å; M407-L410 WeakPolarHBondContact O-CA 3.39Å; M407-L410 WeakPolarHBondContact O-CB 3.17Å; M407-L410 PolarHBondContact O-N 3.38Å
411	D	94.6	Very high	86.1	Confident	7 Å²	7	49 Å²	49	4%	0.037	24%	0.237	C	C	.	.			trans	-157.8	122.8	174.8	-172.3	-34.9	0	0	0	109.8	R381 A385 S388 M407 L413 A414	R381-D411 IonicContact CZ-OD1 3.73Å; R381-D411 IonicContact CZ-OD2 3.4Å; R381-D411 IonicContact NH1-OD1 3.83Å; R381-D411 IonicContact NH1-OD2 3.72Å; R381-D411 PolarHBondContact NH1-OD2 2.93Å; R381-D411 IonicContact NH2-OD1 3.98Å; R381-D411 PolarHBondContact NH2-OD1 3.16Å; R381-D411 IonicContact NH2-OD2 2.84Å; R381-D411 PolarHBondContact NH2-OD2 3.17Å; A385-D411 WeakPolarHBondContact CA-OD2 3.26Å; S388-D411 VanDerWaalsContact CB-CB 3.48Å; M407-D411 CarbonylContact O-C 3.45Å; M407-D411 PolarHBondContact O-N 3.15Å; D411-L413 PolarHBondContact O-N 3.24Å; D411-L413 WeakPolarHBondContact OD1-CB 3.35Å; D411-L413 PolarHBondContact OD1-N 2.88Å; D411-A414 HydrophobicContact CB-CB 4.21Å; D411-A414 WeakPolarHBondContact O-CB 3.42Å; D411-A414 PolarHBondContact O-N 3.48Å
412	P	93.1	Very high	86.9	Confident	62 Å²	62	45.7 Å²	45.7	40%	0.403	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-18.7	179.9	24.8	-35	0	0	0	114	P416	P412-P416 VanDerWaalsContact O-CD 3.26Å; P412-P416 WeakPolarHBondContact O-CD 3.35Å; P412-P416 WeakPolarHBondContact O-CG 3.25Å
413	L	92.9	Very high	87	Confident	6 Å²	6	46 Å²	46	3%	0.031	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-8.5	176.3	-62.3	-174.8	0	0	0	114.1	P364 A371 F372 R381 A385 D411 L417	P364-L413 VanDerWaalsContact CD-CD2 3.46Å; P364-L413 HydrophobicContact CG-CD2 4.11Å; A371-L413 HydrophobicContact CB-CD1 3.68Å; A371-L413 HydrophobicContact CB-CD2 3.53Å; A371-L413 HydrophobicContact CB-CG 4.29Å; F372-L413 HydrophobicContact CE1-CD1 4.23Å; F372-L413 HydrophobicContact CE2-CB 4.06Å; F372-L413 HydrophobicContact CE2-CD1 3.82Å; F372-L413 HydrophobicContact CE2-CG 4.49Å; F372-L413 HydrophobicContact CZ-CB 4.3Å; F372-L413 HydrophobicContact CZ-CD1 3.6Å; R381-L413 VanDerWaalsContact CZ-CD1 3.4Å; A385-L413 HydrophobicContact CB-CB 4.03Å; D411-L413 PolarHBondContact O-N 3.24Å; D411-L413 WeakPolarHBondContact OD1-CB 3.35Å; D411-L413 PolarHBondContact OD1-N 2.88Å; L413-L417 WeakPolarHBondContact O-CB 3.35Å; L413-L417 PolarHBondContact O-N 3.33Å
414	A	92.4	Very high	87.3	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.3	-49.9	-178.1	0	0	0	0	0	111.8	V389 M407 D411 L417 L418	V389-A414 HydrophobicContact CG2-CB 4.19Å; M407-A414 HydrophobicContact CB-CB 4.26Å; D411-A414 HydrophobicContact CB-CB 4.21Å; D411-A414 WeakPolarHBondContact O-CB 3.42Å; D411-A414 PolarHBondContact O-N 3.48Å; A414-L417 PolarHBondContact O-N 3.47Å; A414-L418 PolarHBondContact O-N 3.49Å
415	H	86.6	Confident	87.3	Confident	5 Å²	5	45 Å²	45	2%	0.023	23%	0.23	C	C	.	.	H	α-helix	trans	-65.9	-50.9	179.3	171.3	-93.9	0	0	0	112.9	Y400 M407 L417 L418 Q419	Y400-H415 AromaticContact CE2-CD2 3.99Å; Y400-H415 AromaticContact CE2-NE2 3.36Å; Y400-H415 WeakPolarHBondContact CE2-NE2 3.35Å; Y400-H415 AromaticContact CZ-NE2 3.47Å; Y400-H415 PolarHBondContact OH-CE1 3Å; Y400-H415 PolarHBondContact OH-NE2 3.45Å; M407-H415 HydrophobicContact CB-CB 4.3Å; M407-H415 HydrophobicContact CE-CB 3.88Å; M407-H415 HydrophobicContact SD-CB 4.35Å; H415-L417 VanDerWaalsContact C-N 3.26Å; H415-L417 PolarHBondContact O-N 3.01Å; H415-L418 WeakPolarHBondContact O-CB 2.82Å; H415-L418 PolarHBondContact O-N 2.77Å; H415-L418 VanDerWaalsContact O-N 3.14Å; H415-Q419 PolarHBondContact CE1-NE2 2.86Å; H415-Q419 PolarHBondContact CE1-OE1 2.88Å; H415-Q419 PolarHBondContact ND1-OE1 2.54Å; H415-Q419 PolarHBondContact O-N 2.6Å
416	P	85.1	Confident	86.5	Confident	22 Å²	22	47.4 Å²	47.4	14%	0.143	24%	0.236	C	C	.	.	H	α-helix	trans	-56	-37.7	173.9	-27.6	34.9	0	0	0	113.9	V361 P364 P412 Q419 W420	V361-P416 HydrophobicContact CG1-CB 3.45Å; V361-P416 VanDerWaalsContact CG1-CB 3.45Å; P364-P416 HydrophobicContact CG-CG 3.88Å; P412-P416 VanDerWaalsContact O-CD 3.26Å; P412-P416 WeakPolarHBondContact O-CD 3.35Å; P412-P416 WeakPolarHBondContact O-CG 3.25Å; P416-Q419 PolarHBondContact O-N 2.97Å; P416-W420 PolarHBondContact O-N 2.84Å
417	L	90.6	Very high	85.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.3	-43.7	175.8	177.6	59.8	0	0	0	111.9	P359 F372 L382 A385 L386 L413 A414 H415 Q419 W420 I421	P359-L417 HydrophobicContact CB-CD1 4.2Å; P359-L417 HydrophobicContact CG-CD1 3.94Å; F372-L417 HydrophobicContact CE2-CB 4.41Å; F372-L417 HydrophobicContact CE2-CD1 4.45Å; L382-L417 HydrophobicContact CD1-CD1 3.56Å; L382-L417 HydrophobicContact CD1-CD2 3.65Å; L382-L417 HydrophobicContact CD1-CG 4.25Å; A385-L417 HydrophobicContact CB-CD2 3.84Å; L386-L417 HydrophobicContact CB-CD2 3.95Å; L386-L417 HydrophobicContact CD1-CD2 4.25Å; L413-L417 WeakPolarHBondContact O-CB 3.35Å; L413-L417 PolarHBondContact O-N 3.33Å; A414-L417 PolarHBondContact O-N 3.47Å; H415-L417 VanDerWaalsContact C-N 3.26Å; H415-L417 PolarHBondContact O-N 3.01Å; L417-Q419 VanDerWaalsContact C-N 3.34Å; L417-Q419 PolarHBondContact O-N 3.32Å; L417-W420 HydrophobicContact CD1-CE3 4.49Å; L417-W420 WeakPolarHBondContact O-CB 3.32Å; L417-W420 PolarHBondContact O-N 3.22Å; L417-I421 HydrophobicContact CD1-CD1 4.42Å; L417-I421 HydrophobicContact CD1-CG1 4.4Å; L417-I421 HydrophobicContact CG-CD1 4.15Å; L417-I421 WeakPolarHBondContact O-CG1 2.86Å; L417-I421 PolarHBondContact O-N 3.12Å
418	L	88.4	Confident	85.2	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-58.8	-46.5	174.9	177.5	64.7	0	0	0	111.2	V335 V339 V389 M395 M407 A414 H415 W420 I421 I422	V335-L418 HydrophobicContact CG1-CD1 3.74Å; V339-L418 HydrophobicContact CG2-CD1 3.79Å; V389-L418 HydrophobicContact CG1-CB 4.46Å; V389-L418 HydrophobicContact CG1-CD1 4.18Å; V389-L418 HydrophobicContact CG1-CD2 4.47Å; M395-L418 HydrophobicContact CE-CD2 3.19Å; M395-L418 HydrophobicContact SD-CD2 3.78Å; M407-L418 HydrophobicContact SD-CD2 4.37Å; A414-L418 PolarHBondContact O-N 3.49Å; H415-L418 WeakPolarHBondContact O-CB 2.82Å; H415-L418 PolarHBondContact O-N 2.77Å; H415-L418 VanDerWaalsContact O-N 3.14Å; L418-W420 VanDerWaalsContact C-N 3.28Å; L418-W420 PolarHBondContact O-N 3.05Å; L418-I421 PolarHBondContact O-N 2.79Å; L418-I421 VanDerWaalsContact O-N 3.15Å; L418-I422 HydrophobicContact CD1-CD1 4.13Å; L418-I422 HydrophobicContact CD1-CG1 4.42Å; L418-I422 HydrophobicContact CG-CD1 4.07Å; L418-I422 WeakPolarHBondContact O-CG1 3.31Å; L418-I422 PolarHBondContact O-N 3.42Å; L418-I422 VanDerWaalsContact O-N 3.08Å
419	Q	82.6	Confident	84.8	Confident	66 Å²	66	42.7 Å²	42.7	31%	0.308	21%	0.214	S	C	.	.	H	α-helix	trans	-58.7	-41.9	175.4	-71.9	-177.8	-57.4	0	0	111.7	H415 P416 L417 I422 S423	H415-Q419 PolarHBondContact CE1-NE2 2.86Å; H415-Q419 PolarHBondContact CE1-OE1 2.88Å; H415-Q419 PolarHBondContact ND1-OE1 2.54Å; H415-Q419 PolarHBondContact O-N 2.6Å; P416-Q419 PolarHBondContact O-N 2.97Å; L417-Q419 VanDerWaalsContact C-N 3.34Å; L417-Q419 PolarHBondContact O-N 3.32Å; Q419-I422 PolarHBondContact O-N 3.02Å; Q419-S423 VanDerWaalsContact O-CB 3.3Å; Q419-S423 WeakPolarHBondContact O-CB 2.94Å; Q419-S423 PolarHBondContact O-N 2.85Å; Q419-S423 PolarHBondContact O-OG 2.82Å
420	W	85	Confident	84.3	Confident	29 Å²	29	35 Å²	35	11%	0.11	18%	0.182	C	C	.	.	H	α-helix	trans	-60.2	-51.7	173.9	-177.1	90.6	0	0	0	110.2	P357 P359 V361 P416 L417 L418 I422 S423 S424	P357-W420 HydrophobicContact CB-CZ2 4.26Å; P357-W420 HydrophobicContact CG-CH2 4.16Å; P357-W420 HydrophobicContact CG-CZ2 4.13Å; P357-W420 WeakPolarHBondContact O-CH2 3.3Å; P359-W420 VanDerWaalsContact CA-CE2 3.44Å; P359-W420 HydrophobicContact CB-CD2 3.79Å; P359-W420 HydrophobicContact CB-CE3 3.92Å; P359-W420 HydrophobicContact CB-CG 4.26Å; P359-W420 HydrophobicContact CB-CH2 4.37Å; P359-W420 HydrophobicContact CB-CZ2 4.26Å; P359-W420 HydrophobicContact CB-CZ3 4.22Å; P359-W420 HydrophobicContact CG-CD2 4.14Å; P359-W420 HydrophobicContact CG-CE3 3.75Å; P359-W420 HydrophobicContact CG-CH2 3.93Å; P359-W420 HydrophobicContact CG-CZ2 4.3Å; P359-W420 HydrophobicContact CG-CZ3 3.64Å; V361-W420 HydrophobicContact CG2-CB 3.86Å; V361-W420 HydrophobicContact CG2-CG 4.11Å; P416-W420 PolarHBondContact O-N 2.84Å; L417-W420 HydrophobicContact CD1-CE3 4.49Å; L417-W420 WeakPolarHBondContact O-CB 3.32Å; L417-W420 PolarHBondContact O-N 3.22Å; L418-W420 VanDerWaalsContact C-N 3.28Å; L418-W420 PolarHBondContact O-N 3.05Å; W420-I422 PolarHBondContact O-N 2.66Å; W420-I422 VanDerWaalsContact O-N 3.17Å; W420-S423 PolarHBondContact O-N 3.04Å; W420-S423 PolarHBondContact O-OG 3.09Å; W420-S424 VanDerWaalsContact O-CB 3.3Å; W420-S424 WeakPolarHBondContact O-CB 3.13Å; W420-S424 PolarHBondContact O-N 2.94Å; W420-S424 PolarHBondContact O-OG 2.9Å
421	I	88.9	Confident	83.9	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-52.2	-43.6	-178.4	-70.9	167.7	0	0	0	111.5	L338 V339 C342 L386 L417 L418 R485	L338-I421 HydrophobicContact CB-CG2 3.7Å; V339-I421 HydrophobicContact CG2-CD1 4.42Å; V339-I421 HydrophobicContact CG2-CG2 4.43Å; C342-I421 HydrophobicContact CB-CD1 4.11Å; C342-I421 HydrophobicContact CB-CG1 4.48Å; L386-I421 HydrophobicContact CD1-CD1 3.81Å; L417-I421 HydrophobicContact CD1-CD1 4.42Å; L417-I421 HydrophobicContact CD1-CG1 4.4Å; L417-I421 HydrophobicContact CG-CD1 4.15Å; L417-I421 WeakPolarHBondContact O-CG1 2.86Å; L417-I421 PolarHBondContact O-N 3.12Å; L418-I421 PolarHBondContact O-N 2.79Å; L418-I421 VanDerWaalsContact O-N 3.15Å; I421-R485 PolarHBondContact O-NH2 2.72Å
422	I	83.5	Confident	83.1	Confident	30 Å²	30	31.1 Å²	31.1	15%	0.154	16%	0.16	C	C	.	.	H	α-helix	trans	-70.8	-55.2	179.9	-59.6	170.3	0	0	0	111	V335 L418 Q419 W420 S424 N425	V335-I422 HydrophobicContact CB-CD1 4.45Å; V335-I422 HydrophobicContact CB-CG1 4.42Å; V335-I422 HydrophobicContact CG1-CD1 3.72Å; V335-I422 HydrophobicContact CG1-CG1 3.78Å; V335-I422 HydrophobicContact CG2-CD1 3.8Å; V335-I422 HydrophobicContact CG2-CG1 3.83Å; L418-I422 HydrophobicContact CD1-CD1 4.13Å; L418-I422 HydrophobicContact CD1-CG1 4.42Å; L418-I422 HydrophobicContact CG-CD1 4.07Å; L418-I422 WeakPolarHBondContact O-CG1 3.31Å; L418-I422 PolarHBondContact O-N 3.42Å; L418-I422 VanDerWaalsContact O-N 3.08Å; Q419-I422 PolarHBondContact O-N 3.02Å; W420-I422 PolarHBondContact O-N 2.66Å; W420-I422 VanDerWaalsContact O-N 3.17Å; I422-S424 VanDerWaalsContact C-N 3.3Å; I422-S424 PolarHBondContact O-N 3.5Å; I422-N425 PolarHBondContact O-N 2.64Å
423	S	77.9	Confident	81.9	Confident	92 Å²	92	32 Å²	32	64%	0.643	17%	0.166	S	C	*	.	H	α-helix	trans	-68.9	-26.9	-171.4	58.5	0	0	0	0	114.1	Q419 W420 N425	Q419-S423 VanDerWaalsContact O-CB 3.3Å; Q419-S423 WeakPolarHBondContact O-CB 2.94Å; Q419-S423 PolarHBondContact O-N 2.85Å; Q419-S423 PolarHBondContact O-OG 2.82Å; W420-S423 PolarHBondContact O-N 3.04Å; W420-S423 PolarHBondContact O-OG 3.09Å; S423-N425 VanDerWaalsContact C-N 3.34Å
424	S	81.1	Confident	80.6	Confident	26 Å²	26	37 Å²	37	18%	0.182	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-4.7	-177.1	57	0	0	0	0	113.2	W420 I422 R426 R485	W420-S424 VanDerWaalsContact O-CB 3.3Å; W420-S424 WeakPolarHBondContact O-CB 3.13Å; W420-S424 PolarHBondContact O-N 2.94Å; W420-S424 PolarHBondContact O-OG 2.9Å; I422-S424 VanDerWaalsContact C-N 3.3Å; I422-S424 PolarHBondContact O-N 3.5Å; S424-R426 PolarHBondContact O-N 3.33Å; S424-R485 PolarHBondContact O-NH1 3.47Å; S424-R485 PolarHBondContact OG-NH1 2.67Å; S424-R485 PolarHBondContact OG-NH2 3.43Å
425	N	77.9	Confident	79.5	Confident	19 Å²	19	38.3 Å²	38.3	10%	0.102	20%	0.202	C	C	.	.			trans	-77.2	113.1	165.1	174.2	61.6	0	0	0	109.6	L338 I422 S423 S427	L338-N425 HydrophobicContact CD1-CB 3.97Å; L338-N425 HydrophobicContact CD2-CB 4.27Å; I422-N425 PolarHBondContact O-N 2.64Å; S423-N425 VanDerWaalsContact C-N 3.34Å; N425-S427 PolarHBondContact ND2-O 2.92Å
426	R	67.4	Low	78.7	Confident	181 Å²	181	43.6 Å²	43.6	68%	0.683	22%	0.221	S	C	*	.			trans	-88.2	-12.3	-177	-64	-177.7	179.2	-170.6	-1.1	114	S424 P452	S424-R426 PolarHBondContact O-N 3.33Å; R426-P452 HydrophobicContact CB-CG 4.33Å
427	S	72.2	Confident	78.6	Confident	8 Å²	8	42.5 Å²	42.5	6%	0.056	22%	0.215	C	C	.	.	S	Bend	trans	-87.5	131.2	179.3	-84.1	0	0	0	0	110.5	N425 I429 S450	N425-S427 PolarHBondContact ND2-O 2.92Å; S427-I429 PolarHBondContact O-N 3.41Å; S427-S450 WeakPolarHBondContact CA-O 3.21Å; S427-S450 WeakPolarHBondContact CB-O 3.42Å; S427-S450 PolarHBondContact OG-O 2.87Å
428	H	75.3	Confident	78.2	Confident	33 Å²	33	50.1 Å²	50.1	15%	0.153	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	109.8	171.2	-176	-122.8	0	0	0	109.4	V430 L449	H428-V430 WeakPolarHBondContact CE1-CG2 3.3Å; H428-L449 HydrophobicContact CB-CB 4.41Å; H428-L449 WeakPolarHBondContact ND1-CD1 3.26Å; H428-L449 PolarHBondContact O-N 3.08Å
429	I	81.4	Confident	78	Confident	8 Å²	8	50.6 Å²	50.6	4%	0.041	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.7	-176.9	-51.2	175.5	0	0	0	108.5	V334 L338 S427 F446 L447 L448 L484	V334-I429 HydrophobicContact CG1-CB 3.77Å; V334-I429 HydrophobicContact CG1-CD1 4.23Å; V334-I429 HydrophobicContact CG1-CG1 4.49Å; V334-I429 HydrophobicContact CG1-CG2 4.06Å; V334-I429 HydrophobicContact CG2-CB 4.23Å; V334-I429 HydrophobicContact CG2-CG2 3.97Å; V334-I429 WeakPolarHBondContact CG2-O 3.36Å; L338-I429 HydrophobicContact CD2-CD1 4.41Å; S427-I429 PolarHBondContact O-N 3.41Å; I429-F446 HydrophobicContact CG2-CB 3.76Å; I429-F446 HydrophobicContact CG2-CD1 3.96Å; I429-F446 HydrophobicContact CG2-CG 4.19Å; I429-L447 WeakPolarHBondContact CA-O 3.28Å; I429-L448 HydrophobicContact CG1-CD1 4.46Å; I429-L448 HydrophobicContact CG1-CG 4.21Å; I429-L448 HydrophobicContact CG2-CD1 4.33Å; I429-L484 HydrophobicContact CD1-CD1 3.85Å; I429-L484 HydrophobicContact CD1-CD2 4.41Å
430	V	80.7	Confident	78.3	Confident	28 Å²	28	47.5 Å²	47.5	17%	0.17	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.6	177.9	179.2	0	0	0	0	109.3	H428 F446 L447 L449	H428-V430 WeakPolarHBondContact CE1-CG2 3.3Å; V430-F446 CarbonylContact O-C 3.55Å; V430-F446 VanDerWaalsContact O-CA 3.26Å; V430-F446 WeakPolarHBondContact O-CA 3.48Å; V430-L447 PolarHBondContact N-O 3.44Å; V430-L447 PolarHBondContact O-N 3.24Å; V430-L449 HydrophobicContact CG2-CD1 3.88Å; V430-L449 HydrophobicContact CG2-CG 4.46Å
431	K	83.2	Confident	78.3	Confident	34 Å²	34	50.7 Å²	50.7	15%	0.148	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	131.8	170.2	179.1	161.5	179.8	156.2	0	109.9	E333 H444 F446 R554	E333-K431 HydrophobicContact CB-CB 4.35Å; E333-K431 HydrophobicContact CB-CD 3.32Å; E333-K431 HydrophobicContact CB-CG 4.45Å; E333-K431 HydrophobicContact CG-CD 3.37Å; K431-H444 PolarHBondContact NZ-ND1 3.17Å; K431-F446 HydrophobicContact CB-CD1 3.97Å; K431-F446 HydrophobicContact CB-CE1 3.94Å; K431-F446 HydrophobicContact CD-CE1 4.31Å; K431-F446 HydrophobicContact CG-CE1 4.29Å; K431-R554 PolarHBondContact NZ-O 2.96Å
432	L	79.4	Confident	78.2	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.01	25%	0.252	C	S	.	.			trans	-76.3	129.1	170.4	-60.4	179.6	0	0	0	108.9	L434 R436 Q445 L447 F594 V622 Q626	L432-L434 PolarHBondContact O-N 3.1Å; L432-L434 VanDerWaalsContact O-N 3.15Å; L432-R436 HydrophobicContact CB-CG 4.33Å; L432-R436 HydrophobicContact CD1-CB 4.2Å; L432-R436 HydrophobicContact CD1-CG 4.43Å; L432-Q445 HydrophobicContact CB-CB 4.18Å; L432-Q445 HydrophobicContact CD1-CB 3.93Å; L432-Q445 HydrophobicContact CG-CB 4.35Å; L432-Q445 PolarHBondContact N-O 3.41Å; L432-L447 HydrophobicContact CD2-CB 4.07Å; L432-F594 HydrophobicContact CD1-CD1 4.24Å; L432-F594 HydrophobicContact CD1-CE1 4.22Å; L432-V622 HydrophobicContact CD1-CG1 4.21Å; L432-Q626 VanDerWaalsContact CD2-NE2 3.31Å
433	P	67.9	Low	78.3	Confident	80 Å²	80	50.5 Å²	50.5	52%	0.519	25%	0.252	S	S	.	.	S	Bend	trans	-66.8	-17.6	-173.4	19.8	-28.8	0	0	0	114.1	E309	E309-P433 VanDerWaalsContact OE1-CG 3.28Å; E309-P433 WeakPolarHBondContact OE1-CG 3.21Å
434	L	65.6	Low	78.8	Confident	111 Å²	111	46.2 Å²	46.2	58%	0.581	22%	0.222	S	C	*	.	S	Bend	trans	-143.8	165.4	176.3	-67.9	173.1	0	0	0	109.1	L432 R436	L432-L434 PolarHBondContact O-N 3.1Å; L432-L434 VanDerWaalsContact O-N 3.15Å; L434-R436 PolarHBondContact O-N 3.4Å
435	S	67.7	Low	79.3	Confident	29 Å²	29	45 Å²	45	20%	0.203	21%	0.214	C	C	.	.			trans	-64.1	69	169.5	-53.3	0	0	0	0	111.2	L437 K438 T442 Q445	S435-L437 CarbonylContact O-C 3.55Å; S435-L437 PolarHBondContact O-N 3.2Å; S435-K438 VanDerWaalsContact O-CG 3.3Å; S435-K438 WeakPolarHBondContact O-CG 3.49Å; S435-K438 PolarHBondContact O-N 3.17Å; S435-T442 PolarHBondContact OG-O 2.95Å; S435-Q445 VanDerWaalsContact CA-NE2 3.3Å
436	R	71.6	Confident	79.9	Confident	115 Å²	115	44.1 Å²	44.1	43%	0.434	21%	0.209	S	C	.	.	S	Bend	trans	-59.2	-37.8	-176.5	-71.3	-74.8	-171.1	166.4	2.5	110.1	E309 L432 L434 V622	E309-R436 IonicContact OE1-NH2 2.91Å; L432-R436 HydrophobicContact CB-CG 4.33Å; L432-R436 HydrophobicContact CD1-CB 4.2Å; L432-R436 HydrophobicContact CD1-CG 4.43Å; L434-R436 PolarHBondContact O-N 3.4Å; R436-V622 HydrophobicContact CB-CG1 4.15Å; R436-V622 HydrophobicContact CB-CG2 3.94Å
437	L	82.8	Confident	80.7	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-92.9	89.8	165.8	-60.3	176.8	0	0	0	107.9	S435 F439 M440 Q445 F594 F596 E618 I619 V622	S435-L437 CarbonylContact O-C 3.55Å; S435-L437 PolarHBondContact O-N 3.2Å; L437-F439 HydrophobicContact CB-CD1 4.49Å; L437-F439 HydrophobicContact CB-CE1 3.94Å; L437-F439 HydrophobicContact CB-CE2 4.16Å; L437-F439 HydrophobicContact CB-CZ 3.76Å; L437-F439 HydrophobicContact CD1-CZ 4.15Å; L437-F439 HydrophobicContact CD2-CE1 3.79Å; L437-F439 HydrophobicContact CD2-CZ 3.75Å; L437-F439 HydrophobicContact CG-CE1 4.38Å; L437-F439 HydrophobicContact CG-CZ 4.08Å; L437-F439 PolarHBondContact O-N 3.29Å; L437-M440 HydrophobicContact CB-CG 4.03Å; L437-M440 PolarHBondContact O-N 3.33Å; L437-Q445 PolarHBondContact O-NE2 3.44Å; L437-F594 HydrophobicContact CD1-CD1 3.84Å; L437-F594 HydrophobicContact CD1-CD2 4.49Å; L437-F594 HydrophobicContact CD1-CE1 3.9Å; L437-F594 HydrophobicContact CD1-CG 4.14Å; L437-F594 HydrophobicContact CD1-CZ 4.25Å; L437-F596 HydrophobicContact CB-CE1 4.49Å; L437-F596 HydrophobicContact CD1-CE1 3.93Å; L437-F596 HydrophobicContact CD1-CZ 3.59Å; L437-E618 HydrophobicContact CD2-CG 4.01Å; L437-I619 HydrophobicContact CD2-CG1 4.42Å; L437-V622 HydrophobicContact CD2-CB 4.42Å; L437-V622 HydrophobicContact CD2-CG2 3.73Å; L437-V622 HydrophobicContact CG-CG2 4.29Å
438	K	81.9	Confident	81.2	Confident	159 Å²	159	35.7 Å²	35.7	69%	0.691	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-63.4	-33.1	-170.2	-68.9	-177.7	179.5	-178.1	0	112.4	S435 M440 H441	S435-K438 VanDerWaalsContact O-CG 3.3Å; S435-K438 WeakPolarHBondContact O-CG 3.49Å; S435-K438 PolarHBondContact O-N 3.17Å; K438-M440 PolarHBondContact O-N 2.66Å; K438-M440 VanDerWaalsContact O-N 3.1Å; K438-H441 PolarHBondContact O-CE1 2.76Å; K438-H441 PolarHBondContact O-N 2.8Å; K438-H441 VanDerWaalsContact O-N 3.17Å; K438-H441 PolarHBondContact O-ND1 2.68Å
439	F	84.5	Confident	80.8	Confident	12 Å²	12	36.4 Å²	36.4	5%	0.053	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-63.9	-12.6	180	55.2	-101.6	0	0	0	114.7	L437 F472 D605 I608 I615 E618 I619	L437-F439 HydrophobicContact CB-CD1 4.49Å; L437-F439 HydrophobicContact CB-CE1 3.94Å; L437-F439 HydrophobicContact CB-CE2 4.16Å; L437-F439 HydrophobicContact CB-CZ 3.76Å; L437-F439 HydrophobicContact CD1-CZ 4.15Å; L437-F439 HydrophobicContact CD2-CE1 3.79Å; L437-F439 HydrophobicContact CD2-CZ 3.75Å; L437-F439 HydrophobicContact CG-CE1 4.38Å; L437-F439 HydrophobicContact CG-CZ 4.08Å; L437-F439 PolarHBondContact O-N 3.29Å; F439-F472 HydrophobicContact CE2-CZ 4.5Å; F439-D605 WeakPolarHBondContact CA-OD2 3.01Å; F439-D605 WeakPolarHBondContact O-CB 3.43Å; F439-D605 PolarHBondContact O-N 3.32Å; F439-I608 HydrophobicContact CB-CD1 3.46Å; F439-I608 VanDerWaalsContact CB-CD1 3.46Å; F439-I608 HydrophobicContact CB-CG1 3.86Å; F439-I608 HydrophobicContact CD2-CB 4.39Å; F439-I608 HydrophobicContact CD2-CD1 4.2Å; F439-I608 HydrophobicContact CD2-CG1 3.89Å; F439-I608 HydrophobicContact CD2-CG2 3.8Å; F439-I608 HydrophobicContact CE2-CG2 3.92Å; F439-I608 HydrophobicContact CG-CD1 3.94Å; F439-I608 HydrophobicContact CG-CG1 4.14Å; F439-I608 HydrophobicContact CG-CG2 4.41Å; F439-I615 HydrophobicContact CD1-CD1 3.99Å; F439-I615 HydrophobicContact CE1-CD1 4.14Å; F439-I615 HydrophobicContact CE1-CG2 4.37Å; F439-I615 HydrophobicContact CG-CD1 4.48Å; F439-I615 HydrophobicContact CZ-CG2 4.16Å; F439-E618 HydrophobicContact CE1-CG 4.31Å; F439-I619 HydrophobicContact CZ-CG1 4.43Å
440	M	88.3	Confident	79.9	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.005	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-84.6	-16.7	178	-62.8	-55.6	-63	0	0	113.1	L437 K438 T442 F472 F517 I564 F596 Y598 G604	L437-M440 HydrophobicContact CB-CG 4.03Å; L437-M440 PolarHBondContact O-N 3.33Å; K438-M440 PolarHBondContact O-N 2.66Å; K438-M440 VanDerWaalsContact O-N 3.1Å; M440-T442 HydrophobicContact CB-CG2 4.34Å; M440-T442 PolarHBondContact O-N 3.19Å; M440-F472 HydrophobicContact CE-CE1 4.22Å; M440-F472 HydrophobicContact SD-CE1 4.04Å; M440-F472 HydrophobicContact SD-CZ 4.29Å; M440-F517 HydrophobicContact CE-CE1 4.43Å; M440-I564 HydrophobicContact CE-CD1 3.41Å; M440-I564 VanDerWaalsContact CE-CD1 3.41Å; M440-I564 HydrophobicContact CE-CG1 4.04Å; M440-F596 HydrophobicContact CB-CD1 3.94Å; M440-F596 HydrophobicContact CB-CE1 4.07Å; M440-F596 HydrophobicContact CE-CB 4.05Å; M440-F596 HydrophobicContact CE-CD1 4Å; M440-F596 HydrophobicContact CE-CD2 3.41Å; M440-F596 VanDerWaalsContact CE-CD2 3.41Å; M440-F596 HydrophobicContact CE-CE1 4.33Å; M440-F596 HydrophobicContact CE-CE2 3.75Å; M440-F596 HydrophobicContact CE-CG 3.54Å; M440-F596 HydrophobicContact CE-CZ 4.2Å; M440-F596 HydrophobicContact CG-CD1 3.84Å; M440-F596 HydrophobicContact CG-CE1 3.55Å; M440-F596 HydrophobicContact CG-CE2 4.32Å; M440-F596 HydrophobicContact CG-CG 4.35Å; M440-F596 HydrophobicContact CG-CZ 3.8Å; M440-F596 HydrophobicContact SD-CE2 4.35Å; M440-F596 HydrophobicContact SD-CZ 4.37Å; M440-Y598 WeakPolarHBondContact CE-OH 3.43Å; M440-Y598 WeakPolarHBondContact O-CE1 3.39Å; M440-Y598 VanDerWaalsContact O-CZ 3.31Å; M440-Y598 PolarHBondContact O-OH 3.34Å; M440-G604 WeakPolarHBondContact O-CA 3.29Å
441	H	85.5	Confident	79.1	Confident	96 Å²	96	36.9 Å²	36.9	44%	0.444	19%	0.186	S	C	.	.			trans	49.8	31.1	176.6	-56.5	-56.2	0	0	0	116.3	K438 D605	K438-H441 PolarHBondContact O-CE1 2.76Å; K438-H441 PolarHBondContact O-N 2.8Å; K438-H441 VanDerWaalsContact O-N 3.17Å; K438-H441 PolarHBondContact O-ND1 2.68Å; H441-D605 IonicContact CD2-OD1 2.8Å; H441-D605 PolarHBondContact CD2-OD1 2.73Å; H441-D605 IonicContact CE1-OD1 3.89Å; H441-D605 IonicContact NE2-OD1 2.74Å; H441-D605 PolarHBondContact NE2-OD1 3.32Å; H441-D605 IonicContact NE2-OD2 2.99Å; H441-D605 PolarHBondContact NE2-OD2 3.03Å
442	T	86.9	Confident	77.9	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.012	19%	0.185	C	C	.	.			trans	-125.9	144.9	170.4	173	0	0	0	0	110.8	S435 M440 H444 Q445 F596 V597 Y598	S435-T442 PolarHBondContact OG-O 2.95Å; M440-T442 HydrophobicContact CB-CG2 4.34Å; M440-T442 PolarHBondContact O-N 3.19Å; T442-H444 VanDerWaalsContact C-N 3.32Å; T442-H444 PolarHBondContact OG1-N 2.85Å; T442-Q445 HydrophobicContact CG2-CG 4.09Å; T442-Q445 WeakPolarHBondContact O-CG 3.35Å; T442-Q445 PolarHBondContact O-NE2 3.5Å; T442-F596 HydrophobicContact CG2-CB 4.07Å; T442-F596 HydrophobicContact CG2-CD1 4.31Å; T442-V597 WeakPolarHBondContact CB-O 3.48Å; T442-V597 PolarHBondContact OG1-O 2.95Å; T442-Y598 HydrophobicContact CG2-CD1 4.48Å; T442-Y598 HydrophobicContact CG2-CE1 3.97Å; T442-Y598 HydrophobicContact CG2-CE2 4.4Å
443	S	84.5	Confident	77.1	Confident	24 Å²	24	40.8 Å²	40.8	17%	0.168	22%	0.215	C	C	.	.	S	Bend	trans	-78.5	-16.7	169.7	51.3	0	0	0	0	112.9	Q445	S443-Q445 PolarHBondContact O-N 3.07Å
444	H	89.7	Confident	77	Confident	3 Å²	3	40 Å²	40	1%	0.014	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	70.6	-178.1	-57.6	-55.5	0	0	0	109.8	K431 T442 F446 V597 E599	K431-H444 PolarHBondContact NZ-ND1 3.17Å; T442-H444 VanDerWaalsContact C-N 3.32Å; T442-H444 PolarHBondContact OG1-N 2.85Å; H444-F446 HydrophobicContact CB-CE2 3.96Å; H444-V597 HydrophobicContact CB-CB 3.79Å; H444-V597 HydrophobicContact CB-CG2 4.45Å; H444-V597 PolarHBondContact O-N 3.22Å; H444-E599 IonicContact CD2-OE2 3.52Å; H444-E599 PolarHBondContact CD2-OE2 2.93Å; H444-E599 IonicContact CE1-OE2 3.88Å; H444-E599 IonicContact NE2-OE2 2.68Å; H444-E599 PolarHBondContact NE2-OE2 3.46Å
445	Q	90.5	Very high	77.3	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132.4	174	-47.8	-167.8	1.6	0	0	109.6	L432 S435 L437 T442 S443 F596	L432-Q445 HydrophobicContact CB-CB 4.18Å; L432-Q445 HydrophobicContact CD1-CB 3.93Å; L432-Q445 HydrophobicContact CG-CB 4.35Å; L432-Q445 PolarHBondContact N-O 3.41Å; S435-Q445 VanDerWaalsContact CA-NE2 3.3Å; L437-Q445 PolarHBondContact O-NE2 3.44Å; T442-Q445 HydrophobicContact CG2-CG 4.09Å; T442-Q445 WeakPolarHBondContact O-CG 3.35Å; T442-Q445 PolarHBondContact O-NE2 3.5Å; S443-Q445 PolarHBondContact O-N 3.07Å; Q445-F596 HydrophobicContact CB-CD1 4.12Å; Q445-F596 HydrophobicContact CB-CE1 4.24Å; Q445-F596 HydrophobicContact CG-CD1 3.9Å; Q445-F596 HydrophobicContact CG-CE1 4.17Å
446	F	89.8	Confident	77.6	Confident	1 Å²	1	34.6 Å²	34.6	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	142.5	179.6	-55.3	-95.6	0	0	0	110	E333 V334 L337 I429 V430 K431 H444 F594 F595 V597	E333-F446 HydrophobicContact CB-CE1 4.26Å; V334-F446 HydrophobicContact CG2-CD1 4.03Å; V334-F446 HydrophobicContact CG2-CE1 4.07Å; L337-F446 HydrophobicContact CB-CZ 4.28Å; L337-F446 HydrophobicContact CD2-CD1 4.39Å; L337-F446 HydrophobicContact CD2-CD2 3.89Å; L337-F446 HydrophobicContact CD2-CE1 4.22Å; L337-F446 HydrophobicContact CD2-CE2 3.72Å; L337-F446 HydrophobicContact CD2-CG 4.23Å; L337-F446 HydrophobicContact CD2-CZ 3.88Å; I429-F446 HydrophobicContact CG2-CB 3.76Å; I429-F446 HydrophobicContact CG2-CD1 3.96Å; I429-F446 HydrophobicContact CG2-CG 4.19Å; V430-F446 CarbonylContact O-C 3.55Å; V430-F446 VanDerWaalsContact O-CA 3.26Å; V430-F446 WeakPolarHBondContact O-CA 3.48Å; K431-F446 HydrophobicContact CB-CD1 3.97Å; K431-F446 HydrophobicContact CB-CE1 3.94Å; K431-F446 HydrophobicContact CD-CE1 4.31Å; K431-F446 HydrophobicContact CG-CE1 4.29Å; H444-F446 HydrophobicContact CB-CE2 3.96Å; F446-F594 CarbonylContact O-C 3.47Å; F446-F594 VanDerWaalsContact O-CA 3.3Å; F446-F594 WeakPolarHBondContact O-CA 3.46Å; F446-F595 HydrophobicContact CB-CB 4.24Å; F446-F595 HydrophobicContact CD2-CD1 4.2Å; F446-F595 PolarHBondContact N-O 2.82Å; F446-F595 PolarHBondContact O-N 3.48Å; F446-V597 HydrophobicContact CD2-CG2 4.26Å; F446-V597 HydrophobicContact CE2-CG2 3.81Å
447	L	84.8	Confident	77.7	Confident	6 Å²	6	31.8 Å²	31.8	3%	0.031	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128.7	171.5	-177	73.8	0	0	0	108.6	I429 V430 L432 L449 R593 F594 Q626	I429-L447 WeakPolarHBondContact CA-O 3.28Å; V430-L447 PolarHBondContact N-O 3.44Å; V430-L447 PolarHBondContact O-N 3.24Å; L432-L447 HydrophobicContact CD2-CB 4.07Å; L447-L449 HydrophobicContact CD2-CD2 3.45Å; L447-L449 VanDerWaalsContact CD2-CD2 3.45Å; L447-L449 HydrophobicContact CD2-CG 4.19Å; L447-L449 HydrophobicContact CG-CD2 4.08Å; L447-L449 HydrophobicContact CG-CG 4.49Å; L447-R593 WeakPolarHBondContact CD1-O 3.3Å; L447-F594 HydrophobicContact CD1-CD1 3.84Å; L447-F594 HydrophobicContact CD1-CD2 4.47Å; L447-F594 HydrophobicContact CD1-CE1 3.5Å; L447-F594 VanDerWaalsContact CD1-CE1 3.5Å; L447-F594 HydrophobicContact CD1-CE2 4.17Å; L447-F594 HydrophobicContact CD1-CG 4.32Å; L447-F594 HydrophobicContact CD1-CZ 3.69Å; L447-Q626 HydrophobicContact CD2-CB 4.01Å; L447-Q626 HydrophobicContact CD2-CG 3.99Å
448	L	82.7	Confident	77.8	Confident	5 Å²	5	37.5 Å²	37.5	3%	0.026	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	101.9	171.5	-81.8	70.6	0	0	0	107.4	I429 L484 T592 R593 F595	I429-L448 HydrophobicContact CG1-CD1 4.46Å; I429-L448 HydrophobicContact CG1-CG 4.21Å; I429-L448 HydrophobicContact CG2-CD1 4.33Å; L448-L484 HydrophobicContact CD2-CD2 3.82Å; L448-T592 WeakPolarHBondContact CB-O 3.41Å; L448-T592 HydrophobicContact CD1-CG2 4.47Å; L448-T592 HydrophobicContact CD2-CG2 3.67Å; L448-T592 HydrophobicContact CG-CG2 4.5Å; L448-R593 PolarHBondContact N-O 3.47Å; L448-F595 HydrophobicContact CD1-CB 3.67Å
449	L	68.2	Low	78	Confident	49 Å²	49	30 Å²	30	26%	0.257	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	-32.4	-177.5	-74.1	178.2	0	0	0	112	H428 V430 L447	H428-L449 HydrophobicContact CB-CB 4.41Å; H428-L449 WeakPolarHBondContact ND1-CD1 3.26Å; H428-L449 PolarHBondContact O-N 3.08Å; V430-L449 HydrophobicContact CG2-CD1 3.88Å; V430-L449 HydrophobicContact CG2-CG 4.46Å; L447-L449 HydrophobicContact CD2-CD2 3.45Å; L447-L449 VanDerWaalsContact CD2-CD2 3.45Å; L447-L449 HydrophobicContact CD2-CG 4.19Å; L447-L449 HydrophobicContact CG-CD2 4.08Å; L447-L449 HydrophobicContact CG-CG 4.49Å
450	S	60.8	Low	78	Confident	38 Å²	38	37 Å²	37	27%	0.266	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	134.9	177.2	56.3	0	0	0	0	112.3	S427	S427-S450 WeakPolarHBondContact CA-O 3.21Å; S427-S450 WeakPolarHBondContact CB-O 3.42Å; S427-S450 PolarHBondContact OG-O 2.87Å
451	S	63.7	Low	78.1	Confident	7 Å²	7	41.2 Å²	41.2	5%	0.049	23%	0.226	C	C	.	.	S	Bend	trans	-69.1	169	153.6	-77.2	0	0	0	0	109.9	E456 C591	S451-E456 PolarHBondContact N-OE2 2.93Å; S451-C591 PolarHBondContact OG-SG 3.43Å
452	P	59.1	Low	78.5	Confident	19 Å²	19	37 Å²	37	12%	0.123	21%	0.208	C	C	.	.			trans	-44.3	130.8	170.9	-30.5	35.3	0	0	0	111.2	R426 A454 K455 E456	R426-P452 HydrophobicContact CB-CG 4.33Å; P452-A454 VanDerWaalsContact C-N 3.27Å; P452-A454 PolarHBondContact O-N 3.41Å; P452-K455 WeakPolarHBondContact O-CA 3.37Å; P452-K455 WeakPolarHBondContact O-CB 3.31Å; P452-K455 PolarHBondContact O-N 3.07Å; P452-E456 PolarHBondContact O-N 3.06Å; P452-E456 VanDerWaalsContact O-N 3.08Å
453	P	63	Low	78.8	Confident	99 Å²	99	41 Å²	41	64%	0.643	23%	0.225	S	C	*	.	H	α-helix	trans	-51.2	-40.4	-164	-32.5	35	0	0	0	115.2	K455 E456 A457	P453-K455 PolarHBondContact O-N 3.15Å; P453-E456 PolarHBondContact O-N 3.26Å; P453-A457 PolarHBondContact O-N 3.46Å
454	A	64.9	Low	79.2	Confident	63 Å²	63	48.9 Å²	48.9	52%	0.521	26%	0.257	S	S	.	.	H	α-helix	trans	-63.2	-38	176.8	0	0	0	0	0	113.2	P452 R458	P452-A454 VanDerWaalsContact C-N 3.27Å; P452-A454 PolarHBondContact O-N 3.41Å; A454-R458 WeakPolarHBondContact O-CG 3.41Å; A454-R458 PolarHBondContact O-N 3.47Å; A454-R458 PolarHBondContact O-NH1 2.96Å
455	K	71.6	Confident	79.5	Confident	16 Å²	16	54.5 Å²	54.5	7%	0.07	29%	0.286	C	S	.	.	H	α-helix	trans	-70.3	-43.3	175.5	-174.1	175.5	-175.8	177.2	0	110.9	P452 P453 A457 R458 F459 L488 S587 V590	P452-K455 WeakPolarHBondContact O-CA 3.37Å; P452-K455 WeakPolarHBondContact O-CB 3.31Å; P452-K455 PolarHBondContact O-N 3.07Å; P453-K455 PolarHBondContact O-N 3.15Å; K455-A457 VanDerWaalsContact C-N 3.31Å; K455-A457 PolarHBondContact O-N 3.45Å; K455-R458 PolarHBondContact O-N 3.22Å; K455-F459 PolarHBondContact O-N 3.39Å; K455-L488 PolarHBondContact NZ-O 3.48Å; K455-S587 WeakPolarHBondContact CE-O 3.38Å; K455-S587 PolarHBondContact NZ-O 3.27Å; K455-V590 VanDerWaalsContact CE-O 3.31Å; K455-V590 WeakPolarHBondContact CE-O 3.3Å; K455-V590 PolarHBondContact NZ-O 2.93Å
456	E	74.5	Confident	79.8	Confident	12 Å²	12	60.1 Å²	60.1	6%	0.056	31%	0.308	C	S	.	.	H	α-helix	trans	-61.4	-39.5	177.8	-169.7	68.3	-151.3	0	0	111.6	S451 P452 P453 F459 R460 C591 R593	S451-E456 PolarHBondContact N-OE2 2.93Å; P452-E456 PolarHBondContact O-N 3.06Å; P452-E456 VanDerWaalsContact O-N 3.08Å; P453-E456 PolarHBondContact O-N 3.26Å; E456-F459 PolarHBondContact O-N 2.9Å; E456-R460 WeakPolarHBondContact O-CG 3.48Å; E456-R460 PolarHBondContact O-N 2.92Å; E456-R460 IonicContact OE1-NE 3.49Å; E456-C591 PolarHBondContact OE2-SG 3.05Å; E456-C591 VanDerWaalsContact OE2-SG 3.34Å; E456-R593 IonicContact OE1-CZ 2.73Å; E456-R593 IonicContact OE1-NH1 3.2Å; E456-R593 PolarHBondContact OE1-NH1 3.46Å; E456-R593 IonicContact OE1-NH2 3.58Å; E456-R593 PolarHBondContact OE1-NH2 3.34Å; E456-R593 IonicContact OE2-NH1 3.46Å; E456-R593 PolarHBondContact OE2-NH1 3.08Å; E456-R593 IonicContact OE2-NH2 3.39Å
457	A	74.8	Confident	80	Confident	55 Å²	55	61.6 Å²	61.6	46%	0.455	32%	0.323	S	S	.	.	H	α-helix	trans	-60.4	-46.8	175.7	0	0	0	0	0	112.2	P453 K455 R460 T461	P453-A457 PolarHBondContact O-N 3.46Å; K455-A457 VanDerWaalsContact C-N 3.31Å; K455-A457 PolarHBondContact O-N 3.45Å; A457-R460 PolarHBondContact O-N 3.17Å; A457-T461 PolarHBondContact O-N 3.25Å; A457-T461 PolarHBondContact O-OG1 3.15Å
458	R	84.4	Confident	80.5	Confident	120 Å²	120	63 Å²	63	45%	0.453	33%	0.333	S	S	.	.	H	α-helix	trans	-64.2	-41.8	176.9	-67.1	-169.8	-57.9	-89.3	0.9	112.1	A454 K455 R460 T461 A462 D588	A454-R458 WeakPolarHBondContact O-CG 3.41Å; A454-R458 PolarHBondContact O-N 3.47Å; A454-R458 PolarHBondContact O-NH1 2.96Å; K455-R458 PolarHBondContact O-N 3.22Å; R458-R460 PolarHBondContact O-N 2.95Å; R458-T461 PolarHBondContact O-N 3.32Å; R458-A462 PolarHBondContact O-N 3.48Å; R458-A462 VanDerWaalsContact O-N 3.08Å; R458-D588 HydrophobicContact CB-CB 4.4Å; R458-D588 IonicContact CZ-OD1 2.74Å; R458-D588 IonicContact CZ-OD2 3.9Å; R458-D588 IonicContact NE-OD1 3.63Å; R458-D588 PolarHBondContact NE-OD1 3.29Å; R458-D588 IonicContact NE-OD2 3.4Å; R458-D588 PolarHBondContact NE-OD2 3.34Å; R458-D588 IonicContact NH2-OD1 2.71Å; R458-D588 PolarHBondContact NH2-OD1 2.85Å; R458-D588 IonicContact NH2-OD2 3.67Å
459	F	86.1	Confident	81.1	Confident	1 Å²	1	63.2 Å²	63.2	0%	0.004	34%	0.335	C	S	.	.	H	α-helix	trans	-60.3	-43.9	175.9	-174.7	-87	0	0	0	112	K455 E456 T461 A462 K463 E568 I570 D588 C591	K455-F459 PolarHBondContact O-N 3.39Å; E456-F459 PolarHBondContact O-N 2.9Å; F459-T461 PolarHBondContact O-N 2.92Å; F459-A462 PolarHBondContact O-N 2.47Å; F459-K463 HydrophobicContact CE1-CB 4.42Å; F459-K463 HydrophobicContact CE1-CD 4.24Å; F459-K463 WeakPolarHBondContact O-CB 3.33Å; F459-K463 PolarHBondContact O-N 2.61Å; F459-E568 HydrophobicContact CE1-CB 4.42Å; F459-E568 HydrophobicContact CE1-CG 4.15Å; F459-E568 WeakPolarHBondContact CE1-OE2 3.46Å; F459-E568 WeakPolarHBondContact CE2-O 3.36Å; F459-E568 HydrophobicContact CZ-CB 3.81Å; F459-E568 HydrophobicContact CZ-CG 3.7Å; F459-I570 HydrophobicContact CD1-CD1 4.37Å; F459-I570 HydrophobicContact CD2-CD1 4.02Å; F459-I570 HydrophobicContact CD2-CG1 4.02Å; F459-I570 HydrophobicContact CE1-CD1 3.97Å; F459-I570 HydrophobicContact CE2-CD1 3.6Å; F459-I570 HydrophobicContact CE2-CG1 3.72Å; F459-I570 HydrophobicContact CG-CD1 4.38Å; F459-I570 HydrophobicContact CZ-CD1 3.56Å; F459-I570 HydrophobicContact CZ-CG1 4.19Å; F459-D588 WeakPolarHBondContact CD2-O 3.25Å; F459-C591 HydrophobicContact CD1-CB 4.24Å; F459-C591 HydrophobicContact CD2-CB 3.66Å; F459-C591 HydrophobicContact CE1-CB 4.24Å; F459-C591 HydrophobicContact CE2-CB 3.65Å; F459-C591 HydrophobicContact CG-CB 3.97Å; F459-C591 HydrophobicContact CZ-CB 3.97Å
460	R	84.8	Confident	82.5	Confident	159 Å²	159	61 Å²	61	60%	0.6	32%	0.324	S	S	*	.	H	α-helix	trans	-61.9	-41.6	178.1	-75.3	176.7	-176.5	-174.7	0.2	112.5	E456 A457 R458 K463 K464	E456-R460 WeakPolarHBondContact O-CG 3.48Å; E456-R460 PolarHBondContact O-N 2.92Å; E456-R460 IonicContact OE1-NE 3.49Å; A457-R460 PolarHBondContact O-N 3.17Å; R458-R460 PolarHBondContact O-N 2.95Å; R460-K463 PolarHBondContact O-N 2.75Å; R460-K464 WeakPolarHBondContact O-CG 3.34Å; R460-K464 PolarHBondContact O-N 2.92Å; R460-K464 VanDerWaalsContact O-N 3.13Å
461	T	89.9	Confident	84.2	Confident	90 Å²	90	59.2 Å²	59.2	55%	0.552	31%	0.311	S	S	*	.	H	α-helix	trans	-61.4	-47.4	175.3	-59.7	0	0	0	0	110.9	A457 R458 F459 K463 K464 L465	A457-T461 PolarHBondContact O-N 3.25Å; A457-T461 PolarHBondContact O-OG1 3.15Å; R458-T461 PolarHBondContact O-N 3.32Å; F459-T461 PolarHBondContact O-N 2.92Å; T461-K463 PolarHBondContact O-N 3.24Å; T461-K464 PolarHBondContact O-N 2.97Å; T461-L465 PolarHBondContact O-N 3.33Å
462	A	93.8	Very high	85.8	Confident	9 Å²	9	58.9 Å²	58.9	7%	0.074	31%	0.309	C	S	.	.	H	α-helix	trans	-64.2	-38.9	177.9	0	0	0	0	0	112.7	R458 F459 K464 L465 Y466 I570	R458-A462 PolarHBondContact O-N 3.48Å; R458-A462 VanDerWaalsContact O-N 3.08Å; F459-A462 PolarHBondContact O-N 2.47Å; A462-K464 VanDerWaalsContact C-N 3.35Å; A462-K464 PolarHBondContact O-N 2.79Å; A462-L465 PolarHBondContact O-N 3.34Å; A462-L465 VanDerWaalsContact O-N 3.15Å; A462-Y466 HydrophobicContact CB-CD2 4.48Å; A462-Y466 WeakPolarHBondContact O-CD2 3.36Å; A462-Y466 PolarHBondContact O-N 2.93Å; A462-I570 HydrophobicContact CB-CD1 4.19Å; A462-I570 HydrophobicContact CB-CG1 3.95Å; A462-I570 HydrophobicContact CB-CG2 4.17Å
463	K	92.6	Very high	87.6	Confident	84 Å²	84	59.1 Å²	59.1	37%	0.365	31%	0.308	S	S	.	.	H	α-helix	trans	-60.9	-40.8	176.6	-179.7	175.1	177.5	169.7	0	112.5	F459 R460 T461 L465 G467 S468 E568 I570	F459-K463 HydrophobicContact CE1-CB 4.42Å; F459-K463 HydrophobicContact CE1-CD 4.24Å; F459-K463 WeakPolarHBondContact O-CB 3.33Å; F459-K463 PolarHBondContact O-N 2.61Å; R460-K463 PolarHBondContact O-N 2.75Å; T461-K463 PolarHBondContact O-N 3.24Å; K463-L465 VanDerWaalsContact C-N 3.26Å; K463-L465 PolarHBondContact O-N 2.99Å; K463-G467 VanDerWaalsContact O-CA 3.29Å; K463-G467 WeakPolarHBondContact O-CA 3.5Å; K463-G467 PolarHBondContact O-N 3.07Å; K463-S468 WeakPolarHBondContact CE-OG 3.46Å; K463-E568 WeakPolarHBondContact CD-OE1 3.23Å; K463-E568 WeakPolarHBondContact CE-OE1 3.34Å; K463-E568 IonicContact NZ-OE1 3.54Å; K463-E568 PolarHBondContact NZ-OE1 2.79Å; K463-E568 IonicContact NZ-OE2 3.29Å; K463-I570 HydrophobicContact CB-CD1 3.71Å
464	K	93.8	Very high	89.1	Confident	191 Å²	191	54.8 Å²	54.8	83%	0.83	28%	0.282	S	S	*	.	H	α-helix	trans	-63.4	-33.6	176.2	-72.9	178.5	178.9	-176.6	0	112.4	R460 T461 A462	R460-K464 WeakPolarHBondContact O-CG 3.34Å; R460-K464 PolarHBondContact O-N 2.92Å; R460-K464 VanDerWaalsContact O-N 3.13Å; T461-K464 PolarHBondContact O-N 2.97Å; A462-K464 VanDerWaalsContact C-N 3.35Å; A462-K464 PolarHBondContact O-N 2.79Å
465	L	95.3	Very high	90.5	Very high	120 Å²	120	52.5 Å²	52.5	63%	0.628	26%	0.262	S	S	*	.	H	α-helix	trans	-82.9	-40.2	-177.2	-67.5	173.4	0	0	0	113.4	T461 A462 K463	T461-L465 PolarHBondContact O-N 3.33Å; A462-L465 PolarHBondContact O-N 3.34Å; A462-L465 VanDerWaalsContact O-N 3.15Å; K463-L465 VanDerWaalsContact C-N 3.26Å; K463-L465 PolarHBondContact O-N 2.99Å
466	Y	96.5	Very high	91.6	Very high	119 Å²	119	55 Å²	55	47%	0.467	27%	0.274	S	S	.	.	H	α-helix	trans	-120.8	-7.7	-167.8	-53.6	-63.1	0	0	0	114.6	A462 I570 T571	A462-Y466 HydrophobicContact CB-CD2 4.48Å; A462-Y466 WeakPolarHBondContact O-CD2 3.36Å; A462-Y466 PolarHBondContact O-N 2.93Å; Y466-I570 HydrophobicContact CD2-CG2 3.88Å; Y466-I570 HydrophobicContact CG-CG2 4.24Å; Y466-T571 PolarHBondContact O-OG1 3.35Å
467	G	95.1	Very high	92.5	Very high	31 Å²	31	55.8 Å²	55.8	32%	0.32	28%	0.278	S	S	.	.			trans	72.7	-179.5	-168.7	0	0	0	0	0	113.2	K463 T571	K463-G467 VanDerWaalsContact O-CA 3.29Å; K463-G467 WeakPolarHBondContact O-CA 3.5Å; K463-G467 PolarHBondContact O-N 3.07Å; G467-T571 VanDerWaalsContact C-OG1 3.3Å; G467-T571 PolarHBondContact O-N 3.02Å; G467-T571 PolarHBondContact O-OG1 2.84Å
468	S	95.4	Very high	93.4	Very high	35 Å²	35	54.7 Å²	54.7	25%	0.245	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	159.7	179.4	62.6	0	0	0	0	112.4	K463 E568 V569	K463-S468 WeakPolarHBondContact CE-OG 3.46Å; S468-E568 WeakPolarHBondContact CB-OE1 3.15Å; S468-E568 PolarHBondContact OG-OE1 2.68Å; S468-V569 CarbonylContact C-O 3.59Å; S468-V569 VanDerWaalsContact CA-O 3.23Å; S468-V569 WeakPolarHBondContact CA-O 3.48Å; S468-V569 WeakPolarHBondContact CB-O 3.26Å
469	T	95.6	Very high	93.9	Very high	10 Å²	10	49.8 Å²	49.8	6%	0.061	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	175.7	172.2	-171.8	0	0	0	0	109.7	E568 V569 T571 W582 Q611	T469-E568 CarbonylContact O-C 3.58Å; T469-E568 WeakPolarHBondContact O-CA 3.36Å; T469-V569 PolarHBondContact N-O 2.87Å; T469-V569 PolarHBondContact O-N 2.61Å; T469-T571 HydrophobicContact CG2-CG2 3.68Å; T469-W582 HydrophobicContact CG2-CH2 3.94Å; T469-W582 HydrophobicContact CG2-CZ3 3.6Å; T469-Q611 PolarHBondContact OG1-NE2 2.85Å; T469-Q611 VanDerWaalsContact OG1-NE2 3.13Å; T469-Q611 PolarHBondContact OG1-OE1 3.11Å
470	F	95.9	Very high	94.3	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.018	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	144.5	177.4	-64.3	-79	0	0	0	111.9	L566 C567 E568 R593 T610 Q611 I619 M620 I623	F470-L566 HydrophobicContact CB-CD1 3.92Å; F470-L566 HydrophobicContact CD1-CG 4.38Å; F470-C567 CarbonylContact C-O 3.13Å; F470-C567 VanDerWaalsContact CA-O 3.28Å; F470-C567 WeakPolarHBondContact CA-O 3.42Å; F470-E568 HydrophobicContact CD1-CB 4.19Å; F470-E568 HydrophobicContact CD1-CG 4.4Å; F470-E568 HydrophobicContact CE1-CB 3.94Å; F470-E568 HydrophobicContact CE1-CG 3.97Å; F470-E568 HydrophobicContact CZ-CG 4.38Å; F470-R593 HydrophobicContact CE1-CG 4.39Å; F470-T610 HydrophobicContact CB-CG2 4.23Å; F470-T610 VanDerWaalsContact O-CB 3.23Å; F470-T610 WeakPolarHBondContact O-CB 3.33Å; F470-T610 PolarHBondContact O-OG1 3.06Å; F470-Q611 PolarHBondContact O-NE2 2.88Å; F470-I619 HydrophobicContact CB-CD1 4.3Å; F470-I619 HydrophobicContact CD1-CG2 3.95Å; F470-I619 HydrophobicContact CD2-CD1 4.44Å; F470-I619 HydrophobicContact CD2-CG2 3.92Å; F470-I619 HydrophobicContact CE1-CG2 3.78Å; F470-I619 HydrophobicContact CE2-CG2 3.75Å; F470-I619 HydrophobicContact CG-CD1 4.35Å; F470-I619 HydrophobicContact CG-CG2 4.02Å; F470-I619 HydrophobicContact CZ-CG2 3.69Å; F470-M620 HydrophobicContact CE2-CG 4.14Å; F470-M620 HydrophobicContact CE2-SD 3.6Å; F470-M620 HydrophobicContact CZ-SD 3.74Å; F470-I623 HydrophobicContact CE1-CD1 3.65Å; F470-I623 HydrophobicContact CZ-CD1 3.49Å; F470-I623 VanDerWaalsContact CZ-CD1 3.49Å
471	A	97.2	Very high	94.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	149.8	171.7	0	0	0	0	0	110.5	L509 S510 C567 V569 W582	A471-L509 HydrophobicContact CB-CB 3.97Å; A471-L509 HydrophobicContact CB-CD2 4.26Å; A471-S510 CarbonylContact C-O 3.54Å; A471-C567 PolarHBondContact N-O 2.9Å; A471-C567 PolarHBondContact O-N 2.73Å; A471-V569 HydrophobicContact CB-CG2 4.13Å; A471-W582 HydrophobicContact CB-CE3 3.81Å; A471-W582 HydrophobicContact CB-CZ3 3.83Å
472	F	97.1	Very high	94.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	147.2	175.4	-63.6	-76.7	0	0	0	111.8	F439 M440 L509 S510 S516 I564 A565 L566 I608 T610	F439-F472 HydrophobicContact CE2-CZ 4.5Å; M440-F472 HydrophobicContact CE-CE1 4.22Å; M440-F472 HydrophobicContact SD-CE1 4.04Å; M440-F472 HydrophobicContact SD-CZ 4.29Å; F472-L509 CarbonylContact O-C 3.52Å; F472-L509 VanDerWaalsContact O-CA 3.3Å; F472-L509 WeakPolarHBondContact O-CA 3.38Å; F472-S510 PolarHBondContact N-O 2.82Å; F472-S510 PolarHBondContact O-N 2.86Å; F472-S516 VanDerWaalsContact C-OG 3.29Å; F472-S516 WeakPolarHBondContact CB-OG 3.32Å; F472-S516 PolarHBondContact O-OG 2.95Å; F472-I564 HydrophobicContact CD1-CD1 3.92Å; F472-I564 HydrophobicContact CE1-CD1 4.31Å; F472-A565 CarbonylContact C-O 3.52Å; F472-A565 VanDerWaalsContact CA-O 3.26Å; F472-A565 WeakPolarHBondContact CA-O 3.39Å; F472-L566 HydrophobicContact CD1-CB 4.12Å; F472-L566 HydrophobicContact CD1-CD1 3.89Å; F472-L566 HydrophobicContact CE1-CB 4.11Å; F472-L566 HydrophobicContact CE1-CD1 3.79Å; F472-L566 HydrophobicContact CE1-CG 4.4Å; F472-L566 HydrophobicContact CE2-CD1 4.49Å; F472-L566 HydrophobicContact CG-CD1 4.29Å; F472-L566 HydrophobicContact CZ-CD1 4.11Å; F472-I608 HydrophobicContact CE2-CG2 4.05Å; F472-I608 HydrophobicContact CZ-CG2 3.99Å; F472-T610 HydrophobicContact CD2-CG2 3.73Å; F472-T610 HydrophobicContact CE2-CG2 3.38Å; F472-T610 HydrophobicContact CZ-CG2 3.98Å
473	H	96.4	Very high	94.7	Very high	23 Å²	23	39.9 Å²	39.9	11%	0.106	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127.7	167.8	179.7	71.4	0	0	0	109.3	W480 L488 Y508 L509 A565	H473-W480 AromaticContact CD2-CH2 3.78Å; H473-L488 HydrophobicContact CB-CD1 4.32Å; H473-L488 VanDerWaalsContact CD2-CD2 3.42Å; H473-L488 WeakPolarHBondContact CD2-CD2 3.49Å; H473-L488 WeakPolarHBondContact NE2-CD2 3.44Å; H473-Y508 PolarHBondContact ND1-O 2.91Å; H473-L509 HydrophobicContact CB-CD2 3.94Å; H473-A565 PolarHBondContact N-O 2.9Å; H473-A565 PolarHBondContact O-N 2.86Å
474	G	94.8	Very high	94.4	Very high	9 Å²	9	36.2 Å²	36.2	9%	0.093	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	136.1	173.9	0	0	0	0	0	111.4	S516	G474-S516 WeakPolarHBondContact CA-O 3.45Å
475	S	94.7	Very high	93.9	Very high	14 Å²	14	27.7 Å²	27.7	10%	0.098	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	152	173.2	-167.5	0	0	0	0	109.9	N479 W480 Y519	S475-N479 WeakPolarHBondContact OG-CB 3.3Å; S475-N479 PolarHBondContact OG-ND2 3.32Å; S475-W480 PolarHBondContact O-NE1 2.9Å; S475-Y519 WeakPolarHBondContact CA-O 3.34Å
476	H	94.2	Very high	93.3	Very high	69 Å²	69	25.8 Å²	25.8	32%	0.319	14%	0.139	S	C	.	.			trans	-58.9	145.8	175.3	-69.8	-94.7	0	0	0	111.6	E478 N479 W480	H476-E478 HydrophobicContact CB-CG 3.97Å; H476-E478 PolarHBondContact O-N 2.68Å; H476-E478 VanDerWaalsContact O-N 3.11Å; H476-N479 PolarHBondContact O-N 2.97Å; H476-W480 VanDerWaalsContact O-CD1 3.25Å
477	I	94.3	Very high	92.7	Very high	28 Å²	28	20.6 Å²	20.6	14%	0.144	12%	0.122	C	C	.	.	H	α-helix	trans	-49.3	-39.8	-177.5	-178.5	66.9	0	0	0	112.9	M341 A344 N479 W480 L561 C563	M341-I477 HydrophobicContact CG-CD1 3.78Å; A344-I477 HydrophobicContact CB-CB 4.32Å; A344-I477 HydrophobicContact CB-CG1 3.71Å; A344-I477 HydrophobicContact CB-CG2 3.84Å; I477-N479 PolarHBondContact O-N 2.79Å; I477-N479 VanDerWaalsContact O-N 3.14Å; I477-W480 PolarHBondContact O-N 2.98Å; I477-L561 HydrophobicContact CD1-CB 4.37Å; I477-L561 HydrophobicContact CG1-CB 4.31Å; I477-C563 WeakPolarHBondContact CD1-SG 3.49Å
478	E	94.6	Very high	92.5	Very high	33 Å²	33	19.4 Å²	19.4	15%	0.154	11%	0.108	C	C	.	.	H	α-helix	trans	-58.2	-26.5	179.9	62.6	174	-143.6	0	0	114.4	A345 S348 R350 I354 H476	A345-E478 VanDerWaalsContact CB-O 3.26Å; A345-E478 WeakPolarHBondContact CB-O 3.49Å; S348-E478 WeakPolarHBondContact CB-OE2 3.42Å; S348-E478 PolarHBondContact OG-OE1 3.07Å; S348-E478 PolarHBondContact OG-OE2 3.28Å; R350-E478 IonicContact NH1-OE1 2.81Å; R350-E478 PolarHBondContact NH1-OE1 3.06Å; I354-E478 HydrophobicContact CD1-CB 3.71Å; I354-E478 HydrophobicContact CD1-CG 3.71Å; H476-E478 HydrophobicContact CB-CG 3.97Å; H476-E478 PolarHBondContact O-N 2.68Å; H476-E478 VanDerWaalsContact O-N 3.11Å
479	N	94.6	Very high	92.3	Very high	16 Å²	16	21.1 Å²	21.1	9%	0.086	12%	0.117	C	C	.	.	H	α-helix	trans	-84.8	-20.3	-179	-58.8	-51.4	0	0	0	112	R350 S475 H476 I477 H481 S482 I483 L498	R350-N479 PolarHBondContact NH1-OD1 2.96Å; S475-N479 WeakPolarHBondContact OG-CB 3.3Å; S475-N479 PolarHBondContact OG-ND2 3.32Å; H476-N479 PolarHBondContact O-N 2.97Å; I477-N479 PolarHBondContact O-N 2.79Å; I477-N479 VanDerWaalsContact O-N 3.14Å; N479-H481 VanDerWaalsContact C-N 3.28Å; N479-H481 PolarHBondContact O-N 3.38Å; N479-S482 PolarHBondContact O-N 2.95Å; N479-S482 VanDerWaalsContact O-N 3.15Å; N479-I483 HydrophobicContact CB-CD1 3.95Å; N479-I483 WeakPolarHBondContact O-CG1 3.3Å; N479-I483 PolarHBondContact O-N 3.15Å; N479-L498 VanDerWaalsContact ND2-CD1 3.31Å; N479-L498 WeakPolarHBondContact ND2-CD1 3.25Å
480	W	94.2	Very high	92.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-71.4	-23.6	-172.7	-71.6	98.3	0	0	0	113.5	M341 H473 S475 H476 I477 S482 I483 L484 C563 A565 F595	M341-W480 HydrophobicContact CE-CB 3.7Å; M341-W480 HydrophobicContact CE-CG 4.39Å; M341-W480 HydrophobicContact CG-CB 4.16Å; M341-W480 HydrophobicContact SD-CB 3.77Å; H473-W480 AromaticContact CD2-CH2 3.78Å; S475-W480 PolarHBondContact O-NE1 2.9Å; H476-W480 VanDerWaalsContact O-CD1 3.25Å; I477-W480 PolarHBondContact O-N 2.98Å; W480-S482 VanDerWaalsContact C-N 3.31Å; W480-S482 PolarHBondContact O-N 3.17Å; W480-I483 HydrophobicContact CD2-CD1 4.1Å; W480-I483 HydrophobicContact CE3-CB 3.84Å; W480-I483 HydrophobicContact CE3-CD1 4.02Å; W480-I483 HydrophobicContact CE3-CG2 3.61Å; W480-I483 HydrophobicContact CH2-CG2 4.48Å; W480-I483 HydrophobicContact CZ3-CB 4.23Å; W480-I483 HydrophobicContact CZ3-CD1 4.28Å; W480-I483 HydrophobicContact CZ3-CG2 3.5Å; W480-I483 PolarHBondContact O-N 2.75Å; W480-L484 WeakPolarHBondContact O-CB 3.05Å; W480-L484 WeakPolarHBondContact O-CG 3.13Å; W480-L484 PolarHBondContact O-N 3.35Å; W480-C563 HydrophobicContact CG-CB 4.39Å; W480-A565 HydrophobicContact CH2-CB 3.36Å; W480-A565 HydrophobicContact CZ2-CB 4.26Å; W480-A565 HydrophobicContact CZ3-CB 3.95Å; W480-F595 HydrophobicContact CB-CZ 4.39Å; W480-F595 HydrophobicContact CD2-CD2 4.42Å; W480-F595 AromaticContact CD2-CE2 3.36Å; W480-F595 HydrophobicContact CD2-CE2 3.36Å; W480-F595 AromaticContact CD2-CZ 3.9Å; W480-F595 HydrophobicContact CD2-CZ 3.9Å; W480-F595 AromaticContact CE2-CE2 3.65Å; W480-F595 HydrophobicContact CE3-CD2 4.04Å; W480-F595 AromaticContact CE3-CE2 3.36Å; W480-F595 HydrophobicContact CE3-CE2 3.36Å; W480-F595 HydrophobicContact CE3-CZ 4.2Å; W480-F595 AromaticContact CG-CE2 3.94Å; W480-F595 HydrophobicContact CG-CE2 3.94Å; W480-F595 AromaticContact CG-CZ 3.97Å; W480-F595 HydrophobicContact CG-CZ 3.97Å; W480-F595 HydrophobicContact CH2-CD2 4.33Å; W480-F595 AromaticContact CH2-CE2 3.97Å; W480-F595 HydrophobicContact CH2-CE2 3.97Å; W480-F595 AromaticContact CZ2-CE2 3.96Å; W480-F595 HydrophobicContact CZ2-CE2 3.96Å; W480-F595 AromaticContact CZ3-CD2 3.99Å; W480-F595 HydrophobicContact CZ3-CD2 3.99Å; W480-F595 AromaticContact CZ3-CE2 3.68Å; W480-F595 HydrophobicContact CZ3-CE2 3.68Å
481	H	93.4	Very high	92.2	Very high	5 Å²	5	23.9 Å²	23.9	2%	0.023	14%	0.135	C	C	.	.	H	α-helix	trans	-51.3	-52.4	167.1	174.5	74.1	0	0	0	110.7	M341 A345 F355 P357 N479 R485	M341-H481 HydrophobicContact CB-CB 4.45Å; A345-H481 HydrophobicContact CB-CB 3.7Å; F355-H481 AromaticContact CD2-CD2 3.9Å; F355-H481 AromaticContact CE2-CE1 3.97Å; F355-H481 AromaticContact CE2-NE2 3.78Å; P357-H481 PolarHBondContact O-NE2 3.06Å; N479-H481 VanDerWaalsContact C-N 3.28Å; N479-H481 PolarHBondContact O-N 3.38Å; H481-R485 WeakPolarHBondContact O-CD 3.29Å
482	S	91.8	Very high	92.1	Very high	24 Å²	24	24.6 Å²	24.6	17%	0.168	14%	0.14	C	C	.	.	H	α-helix	trans	-73.3	-42.3	-180	-160.9	0	0	0	0	112.5	E356 N479 W480 L484 R485 N486	E356-S482 WeakPolarHBondContact O-CA 3.4Å; E356-S482 VanDerWaalsContact O-CB 3.24Å; E356-S482 WeakPolarHBondContact O-CB 3.14Å; E356-S482 PolarHBondContact O-OG 3.09Å; N479-S482 PolarHBondContact O-N 2.95Å; N479-S482 VanDerWaalsContact O-N 3.15Å; W480-S482 VanDerWaalsContact C-N 3.31Å; W480-S482 PolarHBondContact O-N 3.17Å; S482-L484 VanDerWaalsContact C-N 3.34Å; S482-L484 PolarHBondContact O-N 3.34Å; S482-R485 PolarHBondContact O-N 3.16Å; S482-R485 VanDerWaalsContact O-N 3.07Å; S482-N486 PolarHBondContact O-N 3.12Å; S482-N486 PolarHBondContact OG-ND2 2.99Å; S482-N486 VanDerWaalsContact OG-ND2 3.08Å
483	I	91	Very high	92	Very high	23 Å²	23	31.9 Å²	31.9	12%	0.118	17%	0.169	C	C	.	.	H	α-helix	trans	-61.5	-40.1	-176.2	-65.9	164.5	0	0	0	111.7	N479 W480 R485 G487 L488	N479-I483 HydrophobicContact CB-CD1 3.95Å; N479-I483 WeakPolarHBondContact O-CG1 3.3Å; N479-I483 PolarHBondContact O-N 3.15Å; W480-I483 HydrophobicContact CD2-CD1 4.1Å; W480-I483 HydrophobicContact CE3-CB 3.84Å; W480-I483 HydrophobicContact CE3-CD1 4.02Å; W480-I483 HydrophobicContact CE3-CG2 3.61Å; W480-I483 HydrophobicContact CH2-CG2 4.48Å; W480-I483 HydrophobicContact CZ3-CB 4.23Å; W480-I483 HydrophobicContact CZ3-CD1 4.28Å; W480-I483 HydrophobicContact CZ3-CG2 3.5Å; W480-I483 PolarHBondContact O-N 2.75Å; I483-R485 PolarHBondContact O-N 2.92Å; I483-G487 CarbonylContact O-C 3.48Å; I483-G487 WeakPolarHBondContact O-CA 3.36Å; I483-G487 PolarHBondContact O-N 3.35Å; I483-L488 HydrophobicContact CB-CD2 4.5Å; I483-L488 HydrophobicContact CD1-CD2 3.95Å; I483-L488 HydrophobicContact CG1-CD2 4.08Å; I483-L488 HydrophobicContact CG2-CD2 3.58Å; I483-L488 HydrophobicContact CG2-CG 3.84Å
484	L	86.7	Confident	91.9	Very high	7 Å²	7	34 Å²	34	4%	0.037	18%	0.183	C	C	.	.	H	α-helix	trans	-67.2	-21.6	178.7	-71.1	-172.6	0	0	0	113.4	L338 M341 I429 L448 W480 S482	L338-L484 HydrophobicContact CD2-CD1 3.87Å; M341-L484 HydrophobicContact CE-CD1 3.76Å; M341-L484 HydrophobicContact CE-CG 4.47Å; M341-L484 HydrophobicContact SD-CD1 3.33Å; M341-L484 WeakPolarHBondContact SD-CD1 2.97Å; M341-L484 HydrophobicContact SD-CG 4.14Å; I429-L484 HydrophobicContact CD1-CD1 3.85Å; I429-L484 HydrophobicContact CD1-CD2 4.41Å; L448-L484 HydrophobicContact CD2-CD2 3.82Å; W480-L484 WeakPolarHBondContact O-CB 3.05Å; W480-L484 WeakPolarHBondContact O-CG 3.13Å; W480-L484 PolarHBondContact O-N 3.35Å; S482-L484 VanDerWaalsContact C-N 3.34Å; S482-L484 PolarHBondContact O-N 3.34Å
485	R	83.6	Confident	91.7	Very high	12 Å²	12	42 Å²	42	5%	0.045	22%	0.216	C	C	.	.	H	α-helix	trans	-100	-42.1	-174.5	-66.4	163.9	172.3	-93.4	-3.7	112.7	P357 I421 S424 H481 S482 I483	P357-R485 HydrophobicContact CG-CB 4.42Å; I421-R485 PolarHBondContact O-NH2 2.72Å; S424-R485 PolarHBondContact O-NH1 3.47Å; S424-R485 PolarHBondContact OG-NH1 2.67Å; S424-R485 PolarHBondContact OG-NH2 3.43Å; H481-R485 WeakPolarHBondContact O-CD 3.29Å; S482-R485 PolarHBondContact O-N 3.16Å; S482-R485 VanDerWaalsContact O-N 3.07Å; I483-R485 PolarHBondContact O-N 2.92Å
486	N	82.2	Confident	91.6	Very high	80 Å²	80	44.7 Å²	44.7	43%	0.428	23%	0.228	S	C	.	.	H	α-helix	trans	-100.9	-12.4	-177	-61.8	-35.4	0	0	0	112.5	E356 S482	E356-N486 PolarHBondContact O-ND2 3.05Å; S482-N486 PolarHBondContact O-N 3.12Å; S482-N486 PolarHBondContact OG-ND2 2.99Å; S482-N486 VanDerWaalsContact OG-ND2 3.08Å
487	G	83.9	Confident	91.5	Very high	10 Å²	10	44.2 Å²	44.2	10%	0.103	23%	0.226	C	C	.	.			trans	78.8	172.1	-169.4	0	0	0	0	0	112.4	I483 V489	I483-G487 CarbonylContact O-C 3.48Å; I483-G487 WeakPolarHBondContact O-CA 3.36Å; I483-G487 PolarHBondContact O-N 3.35Å; G487-V489 PolarHBondContact O-N 2.89Å
488	L	90.9	Very high	91.3	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.031	24%	0.237	C	C	.	.			trans	-64.4	132	168.1	-68.8	169.4	0	0	0	110	K455 H473 I483 I507 S587 V590	K455-L488 PolarHBondContact NZ-O 3.48Å; H473-L488 HydrophobicContact CB-CD1 4.32Å; H473-L488 VanDerWaalsContact CD2-CD2 3.42Å; H473-L488 WeakPolarHBondContact CD2-CD2 3.49Å; H473-L488 WeakPolarHBondContact NE2-CD2 3.44Å; I483-L488 HydrophobicContact CB-CD2 4.5Å; I483-L488 HydrophobicContact CD1-CD2 3.95Å; I483-L488 HydrophobicContact CG1-CD2 4.08Å; I483-L488 HydrophobicContact CG2-CD2 3.58Å; I483-L488 HydrophobicContact CG2-CG 3.84Å; L488-I507 HydrophobicContact CB-CD1 3.84Å; L488-I507 HydrophobicContact CB-CG1 4.42Å; L488-I507 HydrophobicContact CB-CG2 4.28Å; L488-I507 HydrophobicContact CD1-CG2 4.25Å; L488-S587 WeakPolarHBondContact O-CB 3.5Å; L488-V590 HydrophobicContact CD1-CG1 3.76Å
489	V	91.8	Very high	90.9	Very high	70 Å²	70	49 Å²	49	42%	0.424	25%	0.25	S	C	.	.			trans	-123.5	151.4	-179.7	-62.5	0	0	0	0	110.6	G487 A491 L496 S587	G487-V489 PolarHBondContact O-N 2.89Å; V489-A491 PolarHBondContact O-N 2.84Å; V489-L496 HydrophobicContact CG2-CD1 4.4Å; V489-S587 WeakPolarHBondContact CA-OG 3.43Å
490	N	94.5	Very high	90.6	Very high	48 Å²	48	51 Å²	51	26%	0.257	27%	0.274	S	S	.	.			trans	-71.4	99.5	169.3	-177.7	0.4	0	0	0	110.1	S492 G506 S587	N490-S492 VanDerWaalsContact C-N 3.32Å; N490-S492 WeakPolarHBondContact OD1-CB 3.23Å; N490-S492 PolarHBondContact OD1-N 3.02Å; N490-S492 PolarHBondContact OD1-OG 2.96Å; N490-G506 VanDerWaalsContact CG-CA 3.48Å; N490-G506 WeakPolarHBondContact OD1-CA 3.25Å; N490-G506 PolarHBondContact OD1-N 3.48Å; N490-S587 PolarHBondContact N-OG 3.42Å; N490-S587 VanDerWaalsContact N-OG 3.13Å
491	A	93.9	Very high	90.6	Very high	24 Å²	24	51.6 Å²	51.6	20%	0.198	28%	0.279	C	S	.	.			trans	-84.6	-1.1	179.3	0	0	0	0	0	113.9	V489 Y493 T494 L496 Q497	V489-A491 PolarHBondContact O-N 2.84Å; A491-Y493 PolarHBondContact O-N 3.31Å; A491-T494 WeakPolarHBondContact O-CB 3.2Å; A491-T494 PolarHBondContact O-N 3.2Å; A491-T494 VanDerWaalsContact O-N 3.12Å; A491-T494 PolarHBondContact O-OG1 3.46Å; A491-L496 HydrophobicContact CB-CB 3.7Å; A491-Q497 WeakPolarHBondContact O-CB 3.27Å
492	S	95.5	Very high	90.5	Very high	16 Å²	16	55.6 Å²	55.6	11%	0.112	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	130.8	-173.1	-51.5	0	0	0	0	111.8	N490 T494 K505 G506	N490-S492 VanDerWaalsContact C-N 3.32Å; N490-S492 WeakPolarHBondContact OD1-CB 3.23Å; N490-S492 PolarHBondContact OD1-N 3.02Å; N490-S492 PolarHBondContact OD1-OG 2.96Å; S492-T494 PolarHBondContact O-N 3.18Å; S492-K505 WeakPolarHBondContact OG-CA 3.49Å; S492-G506 PolarHBondContact OG-N 3.34Å; S492-G506 PolarHBondContact OG-O 2.94Å
493	Y	94.6	Very high	90.7	Very high	152 Å²	152	59.3 Å²	59.3	60%	0.596	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	27	-176.5	-50.2	-74.3	0	0	0	114.3	A491 A501 K505	A491-Y493 PolarHBondContact O-N 3.31Å; Y493-A501 HydrophobicContact CE2-CB 4.12Å; Y493-K505 HydrophobicContact CD2-CD 3.71Å; Y493-K505 HydrophobicContact CD2-CG 3.62Å; Y493-K505 HydrophobicContact CE2-CD 3.74Å; Y493-K505 HydrophobicContact CE2-CG 3.31Å
494	T	94.2	Very high	90.8	Very high	67 Å²	67	59.4 Å²	59.4	41%	0.411	33%	0.331	S	S	.	.	S	Bend	trans	-120.2	171.6	174.8	78.7	0	0	0	0	111	A491 S492 L496 Q497	A491-T494 WeakPolarHBondContact O-CB 3.2Å; A491-T494 PolarHBondContact O-N 3.2Å; A491-T494 VanDerWaalsContact O-N 3.12Å; A491-T494 PolarHBondContact O-OG1 3.46Å; S492-T494 PolarHBondContact O-N 3.18Å; T494-L496 PolarHBondContact O-N 3.11Å; T494-L496 VanDerWaalsContact O-N 3.12Å; T494-L496 PolarHBondContact OG1-N 3.14Å; T494-L496 VanDerWaalsContact OG1-N 3.16Å; T494-Q497 WeakPolarHBondContact O-CB 3.38Å; T494-Q497 PolarHBondContact O-N 3.41Å; T494-Q497 VanDerWaalsContact O-N 3.11Å
495	K	91.9	Very high	91.2	Very high	178 Å²	178	64.9 Å²	64.9	77%	0.774	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.7	173.9	-60.6	-178.3	-178.6	179.9	0	113.7	I353 Q497	I353-K495 HydrophobicContact CG2-CB 3.93Å; K495-Q497 VanDerWaalsContact C-N 3.35Å
496	L	91.6	Very high	91.9	Very high	70 Å²	70	64.5 Å²	64.5	37%	0.366	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-13.3	178.8	-64.6	170.8	0	0	0	112.6	R350 I353 I354 V489 A491 T494 L498	R350-L496 PolarHBondContact NH2-O 3.07Å; I353-L496 HydrophobicContact CG2-CD2 3.85Å; I354-L496 HydrophobicContact CG2-CD2 4.21Å; V489-L496 HydrophobicContact CG2-CD1 4.4Å; A491-L496 HydrophobicContact CB-CB 3.7Å; T494-L496 PolarHBondContact O-N 3.11Å; T494-L496 VanDerWaalsContact O-N 3.12Å; T494-L496 PolarHBondContact OG1-N 3.14Å; T494-L496 VanDerWaalsContact OG1-N 3.16Å; L496-L498 PolarHBondContact O-N 3.36Å
497	Q	92.9	Very high	92.5	Very high	59 Å²	59	61 Å²	61	28%	0.276	34%	0.336	S	S	.	.			trans	-67.2	116.3	-178.7	-171.7	173.2	-10.1	0	0	111.3	A491 T494 K495 H499 G500 A501	A491-Q497 WeakPolarHBondContact O-CB 3.27Å; T494-Q497 WeakPolarHBondContact O-CB 3.38Å; T494-Q497 PolarHBondContact O-N 3.41Å; T494-Q497 VanDerWaalsContact O-N 3.11Å; K495-Q497 VanDerWaalsContact C-N 3.35Å; Q497-H499 VanDerWaalsContact CD-O 3.32Å; Q497-H499 WeakPolarHBondContact CG-O 3.43Å; Q497-H499 PolarHBondContact NE2-O 3.39Å; Q497-G500 VanDerWaalsContact NE2-C 3.34Å; Q497-A501 VanDerWaalsContact NE2-N 3.14Å
498	L	88.5	Confident	93.2	Very high	70 Å²	70	62.9 Å²	62.9	37%	0.366	34%	0.34	S	S	.	.			trans	-91.7	-35.9	174	-83.3	175.2	0	0	0	113.3	R350 N479 L496	R350-L498 VanDerWaalsContact NH1-CD2 3.31Å; N479-L498 VanDerWaalsContact ND2-CD1 3.31Å; N479-L498 WeakPolarHBondContact ND2-CD1 3.25Å; L496-L498 PolarHBondContact O-N 3.36Å
499	H	87.2	Confident	93.5	Very high	91 Å²	91	62.9 Å²	62.9	42%	0.421	34%	0.34	S	S	.	.	S	Bend	trans	-122.6	149.7	-175.5	-53.3	-52.8	0	0	0	109.4	Q497 Y519	Q497-H499 VanDerWaalsContact CD-O 3.32Å; Q497-H499 WeakPolarHBondContact CG-O 3.43Å; Q497-H499 PolarHBondContact NE2-O 3.39Å; H499-Y519 HydrophobicContact CB-CE1 4.32Å; H499-Y519 AromaticContact CD2-CD1 3.41Å; H499-Y519 VanDerWaalsContact CD2-CD1 3.41Å; H499-Y519 WeakPolarHBondContact CD2-CD1 3.32Å; H499-Y519 AromaticContact CD2-CE1 3.69Å; H499-Y519 AromaticContact CG-CE1 3.88Å; H499-Y519 AromaticContact NE2-CD1 3.57Å
500	G	89.2	Confident	93.7	Very high	58 Å²	58	59.6 Å²	59.6	60%	0.598	32%	0.32	S	S	*	.			trans	-54.9	155	178.5	0	0	0	0	0	113.2	Q497 A502	Q497-G500 VanDerWaalsContact NE2-C 3.34Å; G500-A502 VanDerWaalsContact C-N 3.29Å; G500-A502 PolarHBondContact O-N 2.99Å
501	A	93.1	Very high	93.8	Very high	14 Å²	14	57.4 Å²	57.4	12%	0.116	31%	0.309	C	S	.	.			trans	-94.4	51.7	178.4	0	0	0	0	0	110.9	Y493 Q497 Y503 G504 Y508	Y493-A501 HydrophobicContact CE2-CB 4.12Å; Q497-A501 VanDerWaalsContact NE2-N 3.14Å; A501-Y503 PolarHBondContact O-N 3.07Å; A501-G504 PolarHBondContact O-N 3.27Å; A501-Y508 VanDerWaalsContact CA-OH 3.26Å; A501-Y508 WeakPolarHBondContact CA-OH 3.46Å
502	A	92.2	Very high	93.9	Very high	88 Å²	88	57.4 Å²	57.4	73%	0.727	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-29.7	-168.2	0	0	0	0	0	114.4	G500 Y508	G500-A502 VanDerWaalsContact C-N 3.29Å; G500-A502 PolarHBondContact O-N 2.99Å; A502-Y508 PolarHBondContact N-OH 2.89Å
503	Y	94.3	Very high	93.8	Very high	102 Å²	102	56.7 Å²	56.7	40%	0.4	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	21.9	179.2	-63.9	-73.6	0	0	0	112.3	A501 Y508 Q576 H578 I581	A501-Y503 PolarHBondContact O-N 3.07Å; Y503-Y508 HydrophobicContact CD2-CE1 4.22Å; Y503-Y508 PolarHBondContact N-OH 2.95Å; Y503-Q576 PolarHBondContact O-OE1 2.91Å; Y503-H578 HydrophobicContact CD1-CB 3.65Å; Y503-H578 AromaticContact CD1-CD2 3.93Å; Y503-H578 AromaticContact CD1-CG 3.54Å; Y503-H578 AromaticContact CD1-ND1 3.92Å; Y503-H578 HydrophobicContact CE1-CB 3.97Å; Y503-H578 HydrophobicContact CG-CB 4.19Å; Y503-I581 HydrophobicContact CD2-CB 4.34Å; Y503-I581 HydrophobicContact CD2-CD1 4.16Å; Y503-I581 HydrophobicContact CD2-CG2 3.74Å; Y503-I581 HydrophobicContact CE2-CB 4.37Å; Y503-I581 HydrophobicContact CE2-CD1 3.46Å; Y503-I581 VanDerWaalsContact CE2-CD1 3.46Å; Y503-I581 HydrophobicContact CE2-CG2 4.16Å; Y503-I581 HydrophobicContact CG-CG2 4.42Å
504	G	94.1	Very high	93.6	Very high	25 Å²	25	51.7 Å²	51.7	26%	0.258	29%	0.287	S	S	.	.			trans	103.9	179	179	0	0	0	0	0	114.5	A501 Y508	A501-G504 PolarHBondContact O-N 3.27Å; G504-Y508 PolarHBondContact N-OH 3.27Å; G504-Y508 PolarHBondContact O-OH 2.93Å
505	K	96	Very high	93.6	Very high	122 Å²	122	51 Å²	51	53%	0.53	28%	0.28	S	S	.	.	S	Bend	trans	-81.2	117.4	-175.8	-67.8	-177.3	-164.5	-167.6	0	110.5	S492 Y493 P585	S492-K505 WeakPolarHBondContact OG-CA 3.49Å; Y493-K505 HydrophobicContact CD2-CD 3.71Å; Y493-K505 HydrophobicContact CD2-CG 3.62Å; Y493-K505 HydrophobicContact CE2-CD 3.74Å; Y493-K505 HydrophobicContact CE2-CG 3.31Å; K505-P585 WeakPolarHBondContact O-CA 3.5Å; K505-P585 WeakPolarHBondContact O-CB 3.17Å; K505-P585 WeakPolarHBondContact O-CG 3.35Å
506	G	96.4	Very high	93.7	Very high	5 Å²	5	42.7 Å²	42.7	5%	0.052	25%	0.245	C	C	.	.	S	Bend	trans	168.6	-170.8	170.8	0	0	0	0	0	114.6	N490 S492 Y508 C584	N490-G506 VanDerWaalsContact CG-CA 3.48Å; N490-G506 WeakPolarHBondContact OD1-CA 3.25Å; N490-G506 PolarHBondContact OD1-N 3.48Å; S492-G506 PolarHBondContact OG-N 3.34Å; S492-G506 PolarHBondContact OG-O 2.94Å; G506-Y508 WeakPolarHBondContact O-CD2 3.37Å; G506-C584 CarbonylContact C-O 3.54Å; G506-C584 WeakPolarHBondContact CA-O 3.26Å
507	I	96.6	Very high	93.7	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.031	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	123.1	169.5	-60.3	161.6	0	0	0	107.6	L488 L509 V583 C584 V590	L488-I507 HydrophobicContact CB-CD1 3.84Å; L488-I507 HydrophobicContact CB-CG1 4.42Å; L488-I507 HydrophobicContact CB-CG2 4.28Å; L488-I507 HydrophobicContact CD1-CG2 4.25Å; I507-L509 HydrophobicContact CG2-CD1 4.31Å; I507-L509 HydrophobicContact CG2-CG 4.24Å; I507-V583 WeakPolarHBondContact O-CA 3.26Å; I507-C584 PolarHBondContact N-O 3.25Å; I507-C584 PolarHBondContact O-N 3.36Å; I507-V590 HydrophobicContact CD1-CB 4.15Å; I507-V590 HydrophobicContact CD1-CG2 3.9Å
508	Y	97.3	Very high	93.6	Very high	50 Å²	50	39 Å²	39	20%	0.196	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	128.7	179.8	-79	-115	0	0	0	110.1	H473 A501 A502 Y503 G504 G506 I581 W582 V583	H473-Y508 PolarHBondContact ND1-O 2.91Å; A501-Y508 VanDerWaalsContact CA-OH 3.26Å; A501-Y508 WeakPolarHBondContact CA-OH 3.46Å; A502-Y508 PolarHBondContact N-OH 2.89Å; Y503-Y508 HydrophobicContact CD2-CE1 4.22Å; Y503-Y508 PolarHBondContact N-OH 2.95Å; G504-Y508 PolarHBondContact N-OH 3.27Å; G504-Y508 PolarHBondContact O-OH 2.93Å; G506-Y508 WeakPolarHBondContact O-CD2 3.37Å; Y508-I581 HydrophobicContact CD1-CG2 3.97Å; Y508-I581 HydrophobicContact CE1-CG2 4.25Å; Y508-W582 WeakPolarHBondContact CA-O 3.05Å; Y508-V583 HydrophobicContact CD1-CG2 4.08Å; Y508-V583 HydrophobicContact CD2-CG1 4.5Å; Y508-V583 HydrophobicContact CD2-CG2 4.33Å; Y508-V583 HydrophobicContact CE1-CG2 3.77Å; Y508-V583 HydrophobicContact CE2-CG1 4.09Å; Y508-V583 HydrophobicContact CE2-CG2 4.01Å; Y508-V583 HydrophobicContact CG-CG2 4.34Å
509	L	97.4	Very high	93.8	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.026	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	158.5	-175	-68.8	147.5	0	0	0	108.7	A471 F472 H473 I507 C567 V569 W582 C584 V590	A471-L509 HydrophobicContact CB-CB 3.97Å; A471-L509 HydrophobicContact CB-CD2 4.26Å; F472-L509 CarbonylContact O-C 3.52Å; F472-L509 VanDerWaalsContact O-CA 3.3Å; F472-L509 WeakPolarHBondContact O-CA 3.38Å; H473-L509 HydrophobicContact CB-CD2 3.94Å; I507-L509 HydrophobicContact CG2-CD1 4.31Å; I507-L509 HydrophobicContact CG2-CG 4.24Å; L509-C567 HydrophobicContact CD2-CB 3.97Å; L509-V569 HydrophobicContact CD1-CG1 4.12Å; L509-V569 HydrophobicContact CD1-CG2 3.77Å; L509-V569 HydrophobicContact CD2-CG2 4.11Å; L509-W582 HydrophobicContact CB-CB 4.21Å; L509-W582 PolarHBondContact N-O 3.19Å; L509-W582 PolarHBondContact O-N 2.89Å; L509-C584 HydrophobicContact CD1-CB 4.01Å; L509-V590 HydrophobicContact CD1-CG1 4.34Å; L509-V590 HydrophobicContact CD1-CG2 3.95Å; L509-V590 HydrophobicContact CD2-CG1 4.3Å
510	S	96.9	Very high	94	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.007	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-143.7	138.9	172.8	-175.5	0	0	0	0	111.1	A471 F472 I512 I515 N580	A471-S510 CarbonylContact C-O 3.54Å; F472-S510 PolarHBondContact N-O 2.82Å; F472-S510 PolarHBondContact O-N 2.86Å; S510-I512 PolarHBondContact O-N 3.48Å; S510-I512 PolarHBondContact OG-N 3.28Å; S510-I512 VanDerWaalsContact OG-N 3.08Å; S510-I512 PolarHBondContact OG-O 3.45Å; S510-I515 WeakPolarHBondContact OG-CD1 3.49Å; S510-N580 VanDerWaalsContact CB-O 3.29Å; S510-N580 WeakPolarHBondContact CB-O 3.26Å; S510-N580 PolarHBondContact OG-O 3.13Å
511	P	96.5	Very high	93.9	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.019	19%	0.193	C	C	.	.	S	Bend	trans	-66.8	-17.2	168.5	29.8	-34.4	0	0	0	112.2	N580 W582 N609 T610 Q611	P511-N580 WeakPolarHBondContact CD-O 3.3Å; P511-W582 HydrophobicContact CB-CH2 4.16Å; P511-W582 HydrophobicContact CB-CZ2 3.92Å; P511-W582 HydrophobicContact CG-CH2 4.46Å; P511-W582 HydrophobicContact CG-CZ2 3.75Å; P511-N609 CarbonylContact O-C 3.6Å; P511-N609 VanDerWaalsContact O-CA 3.32Å; P511-N609 WeakPolarHBondContact O-CA 3.3Å; P511-T610 VanDerWaalsContact CA-OG1 3.3Å; P511-T610 WeakPolarHBondContact CA-OG1 3.35Å; P511-T610 WeakPolarHBondContact CB-OG1 3.37Å; P511-T610 PolarHBondContact O-N 3.28Å; P511-T610 PolarHBondContact O-OG1 3.34Å; P511-Q611 HydrophobicContact CB-CG 3.8Å
512	I	95.2	Very high	93.4	Very high	24 Å²	24	33.7 Å²	33.7	12%	0.123	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-97.8	128.7	-178.8	-50.9	-58.4	0	0	0	111	S510 S514 I515 N580 I608 N609	S510-I512 PolarHBondContact O-N 3.48Å; S510-I512 PolarHBondContact OG-N 3.28Å; S510-I512 VanDerWaalsContact OG-N 3.08Å; S510-I512 PolarHBondContact OG-O 3.45Å; I512-S514 VanDerWaalsContact CG2-OG 3.25Å; I512-S514 WeakPolarHBondContact CG2-OG 3.4Å; I512-I515 HydrophobicContact CB-CD1 4.29Å; I512-I515 HydrophobicContact CB-CG1 4.47Å; I512-N580 HydrophobicContact CG1-CB 4.08Å; I512-I608 WeakPolarHBondContact CA-O 3.31Å; I512-N609 HydrophobicContact CD1-CB 3.61Å
513	S	93.1	Very high	92.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.5	-43.7	-179.9	55.5	0	0	0	0	113.4	I515 S516 F517 D605 A606 I608	S513-I515 VanDerWaalsContact C-N 3.29Å; S513-I515 PolarHBondContact O-N 2.86Å; S513-S516 WeakPolarHBondContact O-CA 3.35Å; S513-S516 WeakPolarHBondContact O-CB 3.34Å; S513-S516 PolarHBondContact O-N 2.92Å; S513-F517 WeakPolarHBondContact O-CG 3.27Å; S513-F517 PolarHBondContact O-N 3.26Å; S513-D605 PolarHBondContact OG-O 3.11Å; S513-A606 PolarHBondContact OG-O 3.23Å; S513-I608 PolarHBondContact N-O 2.68Å; S513-I608 PolarHBondContact OG-N 3.43Å
514	S	92.1	Very high	90.7	Very high	48 Å²	48	36.1 Å²	36.1	34%	0.336	20%	0.204	S	C	.	.	H	α-helix	trans	-59.5	-34.2	-175.8	49.4	0	0	0	0	114.6	I512 S516 F517 G518 A606	I512-S514 VanDerWaalsContact CG2-OG 3.25Å; I512-S514 WeakPolarHBondContact CG2-OG 3.4Å; S514-S516 VanDerWaalsContact C-N 3.34Å; S514-F517 PolarHBondContact O-N 3.2Å; S514-G518 PolarHBondContact O-N 2.98Å; S514-A606 WeakPolarHBondContact CB-O 3.19Å; S514-A606 PolarHBondContact OG-O 2.66Å
515	I	92.4	Very high	88.5	Confident	52 Å²	52	37.3 Å²	37.3	27%	0.267	22%	0.217	S	C	.	.	H	α-helix	trans	-62.8	-45.4	174.5	-65.5	176.7	0	0	0	109.7	S510 I512 S513 G518 Y519 N580	S510-I515 WeakPolarHBondContact OG-CD1 3.49Å; I512-I515 HydrophobicContact CB-CD1 4.29Å; I512-I515 HydrophobicContact CB-CG1 4.47Å; S513-I515 VanDerWaalsContact C-N 3.29Å; S513-I515 PolarHBondContact O-N 2.86Å; I515-G518 PolarHBondContact O-N 3.45Å; I515-Y519 HydrophobicContact CG2-CD2 4.09Å; I515-Y519 HydrophobicContact CG2-CE2 3.93Å; I515-Y519 VanDerWaalsContact O-CD2 3.22Å; I515-Y519 WeakPolarHBondContact O-CD2 3.13Å; I515-Y519 PolarHBondContact O-N 2.85Å; I515-N580 HydrophobicContact CD1-CB 3.79Å
516	S	94.1	Very high	86.1	Confident	4 Å²	4	41.7 Å²	41.7	3%	0.028	24%	0.239	C	C	.	.	H	α-helix	trans	-69.4	-33.5	178.5	-64.6	0	0	0	0	112.7	F472 G474 S513 S514 G518 Y519 S520	F472-S516 VanDerWaalsContact C-OG 3.29Å; F472-S516 WeakPolarHBondContact CB-OG 3.32Å; F472-S516 PolarHBondContact O-OG 2.95Å; G474-S516 WeakPolarHBondContact CA-O 3.45Å; S513-S516 WeakPolarHBondContact O-CA 3.35Å; S513-S516 WeakPolarHBondContact O-CB 3.34Å; S513-S516 PolarHBondContact O-N 2.92Å; S514-S516 VanDerWaalsContact C-N 3.34Å; S516-G518 VanDerWaalsContact C-N 3.32Å; S516-G518 PolarHBondContact O-N 2.98Å; S516-Y519 PolarHBondContact O-N 2.67Å; S516-S520 PolarHBondContact O-N 3.46Å
517	F	92.6	Very high	83.8	Confident	11 Å²	11	44 Å²	44	5%	0.048	25%	0.248	C	C	.	.	H	α-helix	trans	-57.3	-46.1	172.5	-64.2	-32.4	0	0	0	111.4	M440 S513 S514 Y519 S520 M522 I564 Y598 V603	M440-F517 HydrophobicContact CE-CE1 4.43Å; S513-F517 WeakPolarHBondContact O-CG 3.27Å; S513-F517 PolarHBondContact O-N 3.26Å; S514-F517 PolarHBondContact O-N 3.2Å; F517-Y519 VanDerWaalsContact C-N 3.34Å; F517-Y519 PolarHBondContact O-N 3.42Å; F517-S520 PolarHBondContact O-N 3.49Å; F517-S520 VanDerWaalsContact O-N 3.1Å; F517-S520 PolarHBondContact O-OG 2.9Å; F517-M522 HydrophobicContact CB-CB 4.24Å; F517-M522 HydrophobicContact CB-CE 3.83Å; F517-M522 HydrophobicContact CD1-CE 3.04Å; F517-M522 HydrophobicContact CD2-CE 4.5Å; F517-M522 HydrophobicContact CE1-CE 3.59Å; F517-M522 HydrophobicContact CG-CE 3.58Å; F517-M522 VanDerWaalsContact O-CB 3.27Å; F517-M522 WeakPolarHBondContact O-CB 3.24Å; F517-M522 PolarHBondContact O-N 3.03Å; F517-I564 HydrophobicContact CD1-CD1 3.79Å; F517-I564 HydrophobicContact CD1-CG1 4.25Å; F517-I564 HydrophobicContact CD1-CG2 3.94Å; F517-I564 HydrophobicContact CE1-CD1 3.34Å; F517-I564 HydrophobicContact CE1-CG1 3.97Å; F517-I564 HydrophobicContact CZ-CD1 4.26Å; F517-Y598 HydrophobicContact CE1-CE2 4.1Å; F517-V603 HydrophobicContact CD1-CG2 4.46Å; F517-V603 HydrophobicContact CD2-CG2 3.43Å; F517-V603 VanDerWaalsContact CD2-CG2 3.43Å; F517-V603 HydrophobicContact CE2-CG2 3.58Å; F517-V603 HydrophobicContact CG-CG2 3.94Å; F517-V603 HydrophobicContact CZ-CG2 4.13Å
518	G	90.3	Very high	81.3	Confident	39 Å²	39	53.8 Å²	53.8	40%	0.402	29%	0.285	S	S	.	.	H	α-helix	trans	-58.3	-42.3	176.5	0	0	0	0	0	113.4	S514 I515 S516 S520 G521	S514-G518 PolarHBondContact O-N 2.98Å; I515-G518 PolarHBondContact O-N 3.45Å; S516-G518 VanDerWaalsContact C-N 3.32Å; S516-G518 PolarHBondContact O-N 2.98Å; G518-S520 VanDerWaalsContact C-N 3.29Å; G518-S520 PolarHBondContact O-N 2.88Å; G518-G521 PolarHBondContact O-N 3.41Å
519	Y	92.2	Very high	78.8	Confident	97 Å²	97	59 Å²	59	38%	0.38	31%	0.313	S	S	.	.	H	α-helix	trans	-75.4	-13	177.9	-73.9	-69.1	0	0	0	114.5	S475 H499 I515 S516 F517 G521	S475-Y519 WeakPolarHBondContact CA-O 3.34Å; H499-Y519 HydrophobicContact CB-CE1 4.32Å; H499-Y519 AromaticContact CD2-CD1 3.41Å; H499-Y519 VanDerWaalsContact CD2-CD1 3.41Å; H499-Y519 WeakPolarHBondContact CD2-CD1 3.32Å; H499-Y519 AromaticContact CD2-CE1 3.69Å; H499-Y519 AromaticContact CG-CE1 3.88Å; H499-Y519 AromaticContact NE2-CD1 3.57Å; I515-Y519 HydrophobicContact CG2-CD2 4.09Å; I515-Y519 HydrophobicContact CG2-CE2 3.93Å; I515-Y519 VanDerWaalsContact O-CD2 3.22Å; I515-Y519 WeakPolarHBondContact O-CD2 3.13Å; I515-Y519 PolarHBondContact O-N 2.85Å; S516-Y519 PolarHBondContact O-N 2.67Å; F517-Y519 VanDerWaalsContact C-N 3.34Å; F517-Y519 PolarHBondContact O-N 3.42Å; Y519-G521 VanDerWaalsContact C-N 3.28Å
520	S	91.9	Very high	76.7	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-2.7	170.4	71.9	0	0	0	0	114.1	S516 F517 G518 M522 N562 C563	S516-S520 PolarHBondContact O-N 3.46Å; F517-S520 PolarHBondContact O-N 3.49Å; F517-S520 VanDerWaalsContact O-N 3.1Å; F517-S520 PolarHBondContact O-OG 2.9Å; G518-S520 VanDerWaalsContact C-N 3.29Å; G518-S520 PolarHBondContact O-N 2.88Å; S520-M522 VanDerWaalsContact C-N 3.31Å; S520-N562 PolarHBondContact O-ND2 3.27Å; S520-C563 WeakPolarHBondContact CB-O 3.02Å
521	G	86.8	Confident	74.5	Confident	10 Å²	10	63.7 Å²	63.7	10%	0.103	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	1	-173.4	0	0	0	0	0	114.1	G518 Y519 G523 K524	G518-G521 PolarHBondContact O-N 3.41Å; Y519-G521 VanDerWaalsContact C-N 3.28Å; G521-G523 PolarHBondContact O-N 3.45Å; G521-K524 PolarHBondContact O-N 2.94Å
522	M	83.3	Confident	73	Confident	16 Å²	16	71.6 Å²	71.6	8%	0.079	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	131.9	179.3	-141.5	128	63.7	0	0	109.8	F517 S520 N562 Y598 V603	F517-M522 HydrophobicContact CB-CB 4.24Å; F517-M522 HydrophobicContact CB-CE 3.83Å; F517-M522 HydrophobicContact CD1-CE 3.04Å; F517-M522 HydrophobicContact CD2-CE 4.5Å; F517-M522 HydrophobicContact CE1-CE 3.59Å; F517-M522 HydrophobicContact CG-CE 3.58Å; F517-M522 VanDerWaalsContact O-CB 3.27Å; F517-M522 WeakPolarHBondContact O-CB 3.24Å; F517-M522 PolarHBondContact O-N 3.03Å; S520-M522 VanDerWaalsContact C-N 3.31Å; M522-N562 HydrophobicContact CB-CB 4.38Å; M522-N562 HydrophobicContact CG-CB 4.16Å; M522-N562 HydrophobicContact SD-CB 3.32Å; M522-N562 WeakPolarHBondContact SD-CB 3.33Å; M522-Y598 HydrophobicContact CE-CD2 3.76Å; M522-Y598 HydrophobicContact CE-CE2 4.02Å; M522-Y598 HydrophobicContact CE-CG 4.05Å; M522-Y598 HydrophobicContact SD-CD1 4.5Å; M522-Y598 HydrophobicContact SD-CD2 3.96Å; M522-Y598 HydrophobicContact SD-CG 3.81Å; M522-V603 HydrophobicContact CE-CG2 4.14Å
523	G	68.6	Low	71.6	Confident	60 Å²	60	75.9 Å²	75.9	62%	0.619	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	-6.8	-176.8	0	0	0	0	0	116	G521 H527	G521-G523 PolarHBondContact O-N 3.45Å; G523-H527 VanDerWaalsContact CA-CD2 3.45Å; G523-H527 WeakPolarHBondContact CA-CD2 3.35Å; G523-H527 PolarHBondContact N-NE2 3.25Å; G523-H527 PolarHBondContact O-CD2 3.09Å
524	K	60	Low	70.3	Confident	181 Å²	181	79.4 Å²	79.4	79%	0.787	42%	0.418	S	S	*	.	S	Bend	trans	-106.1	95.1	172.5	-66.7	-172.7	-180	-178.7	0	111.1	G521 H527	G521-K524 PolarHBondContact O-N 2.94Å; K524-H527 VanDerWaalsContact C-NE2 3.31Å; K524-H527 PolarHBondContact N-NE2 3.06Å
525	G	49.4	Very low	69.1	Low	50 Å²	50	81.7 Å²	81.7	52%	0.515	43%	0.426	S	S	.	.	S	Bend	trans	131.2	113.3	171.3	0	0	0	0	0	115.6	H527	G525-H527 PolarHBondContact N-CD2 2.86Å; G525-H527 VanDerWaalsContact N-CD2 3.34Å; G525-H527 PolarHBondContact N-NE2 2.96Å; G525-H527 PolarHBondContact O-CD2 2.88Å; G525-H527 PolarHBondContact O-CE1 3.43Å; G525-H527 PolarHBondContact O-N 3.02Å; G525-H527 PolarHBondContact O-ND1 3.1Å; G525-H527 PolarHBondContact O-NE2 3.12Å
526	Q	44.3	Very low	67.9	Low	213 Å²	213	82.4 Å²	82.4	100%	0.995	43%	0.433	S	S	*	.	S	Bend	trans	36.8	35.8	168.5	-63.8	-169.7	-18.6	0	0	117.4
527	H	48.7	Very low	66.4	Low	53 Å²	53	86.9 Å²	86.9	25%	0.245	45%	0.453	C	S	.	.			trans	-80.6	123.1	-177.2	-61.4	-67.3	0	0	0	109.4	G523 K524 G525 M529	G523-H527 VanDerWaalsContact CA-CD2 3.45Å; G523-H527 WeakPolarHBondContact CA-CD2 3.35Å; G523-H527 PolarHBondContact N-NE2 3.25Å; G523-H527 PolarHBondContact O-CD2 3.09Å; K524-H527 VanDerWaalsContact C-NE2 3.31Å; K524-H527 PolarHBondContact N-NE2 3.06Å; G525-H527 PolarHBondContact N-CD2 2.86Å; G525-H527 VanDerWaalsContact N-CD2 3.34Å; G525-H527 PolarHBondContact N-NE2 2.96Å; G525-H527 PolarHBondContact O-CD2 2.88Å; G525-H527 PolarHBondContact O-CE1 3.43Å; G525-H527 PolarHBondContact O-N 3.02Å; G525-H527 PolarHBondContact O-ND1 3.1Å; G525-H527 PolarHBondContact O-NE2 3.12Å; H527-M529 VanDerWaalsContact C-N 3.26Å; H527-M529 PolarHBondContact O-N 3.2Å
528	R	45.3	Very low	65.1	Low	213 Å²	213	94.2 Å²	94.2	80%	0.804	48%	0.481	S	S	*	.			trans	-69.8	93.5	157.7	-76.7	-169.1	-175.9	-169.8	3.5	106.9	P530	R528-P530 VanDerWaalsContact O-CD 3.3Å; R528-P530 WeakPolarHBondContact O-CD 3.44Å
529	M	44.6	Very low	63.4	Low	160 Å²	160	100.2 Å²	100.2	79%	0.788	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-53.3	121	153.5	-83.9	-72.1	-72	0	0	106	H527 S531	H527-M529 VanDerWaalsContact C-N 3.26Å; H527-M529 PolarHBondContact O-N 3.2Å; M529-S531 PolarHBondContact O-N 3.08Å
530	P	51.7	Low	61.6	Low	53 Å²	53	99.6 Å²	99.6	34%	0.344	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-54.7	118.6	175.9	-23.8	33.2	0	0	0	107.8	R528 E534 L535	R528-P530 VanDerWaalsContact O-CD 3.3Å; R528-P530 WeakPolarHBondContact O-CD 3.44Å; P530-E534 VanDerWaalsContact CA-OE2 3.25Å; P530-E534 WeakPolarHBondContact CA-OE2 3.27Å; P530-E534 HydrophobicContact CB-CB 4.08Å; P530-L535 HydrophobicContact CB-CD2 4.03Å; P530-L535 HydrophobicContact CB-CG 4.09Å
531	S	52.6	Low	59.7	Low	51 Å²	51	106.7 Å²	106.7	36%	0.357	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-55.7	157.5	175.4	58.4	0	0	0	0	109.7	M529 D533 E534 L535	M529-S531 PolarHBondContact O-N 3.08Å; S531-D533 PolarHBondContact O-N 2.57Å; S531-D533 VanDerWaalsContact O-N 3.08Å; S531-E534 PolarHBondContact N-OE2 3.08Å; S531-E534 WeakPolarHBondContact O-CA 3.45Å; S531-E534 PolarHBondContact O-N 3.48Å; S531-E534 WeakPolarHBondContact OG-CG 3.31Å; S531-E534 PolarHBondContact OG-N 3.08Å; S531-E534 VanDerWaalsContact OG-N 3.11Å; S531-E534 PolarHBondContact OG-OE2 2.75Å; S531-L535 PolarHBondContact O-N 2.88Å
532	K	63.2	Low	57.7	Low	169 Å²	169	113.3 Å²	113.3	74%	0.735	55%	0.553	S	S	*	*	H	α-helix	trans	-50	-37.1	173.4	-173.2	-180	178.1	-176.8	0	111	L535 V536	K532-L535 PolarHBondContact O-N 3.35Å; K532-V536 WeakPolarHBondContact O-CB 3.25Å; K532-V536 WeakPolarHBondContact O-CG2 3.4Å; K532-V536 PolarHBondContact O-N 3.24Å
533	D	65.7	Low	55.8	Low	113 Å²	113	118.4 Å²	118.4	60%	0.604	58%	0.58	S	S	*	*	H	α-helix	trans	-70.8	-37.4	176.8	-59.9	-36.8	0	0	0	113.1	S531 V536 Q537	S531-D533 PolarHBondContact O-N 2.57Å; S531-D533 VanDerWaalsContact O-N 3.08Å; D533-V536 PolarHBondContact O-N 2.94Å; D533-Q537 VanDerWaalsContact O-CB 3.25Å; D533-Q537 WeakPolarHBondContact O-CB 3.36Å; D533-Q537 VanDerWaalsContact O-CG 3.27Å; D533-Q537 WeakPolarHBondContact O-CG 3.3Å; D533-Q537 PolarHBondContact O-N 3.15Å
534	E	66.6	Low	54.6	Low	74 Å²	74	120.8 Å²	120.8	35%	0.346	58%	0.583	S	S	.	*	H	α-helix	trans	-66.1	-37.6	172	-79.5	169.2	141.3	0	0	111.8	P530 S531 R538	P530-E534 VanDerWaalsContact CA-OE2 3.25Å; P530-E534 WeakPolarHBondContact CA-OE2 3.27Å; P530-E534 HydrophobicContact CB-CB 4.08Å; S531-E534 PolarHBondContact N-OE2 3.08Å; S531-E534 WeakPolarHBondContact O-CA 3.45Å; S531-E534 PolarHBondContact O-N 3.48Å; S531-E534 WeakPolarHBondContact OG-CG 3.31Å; S531-E534 PolarHBondContact OG-N 3.08Å; S531-E534 VanDerWaalsContact OG-N 3.11Å; S531-E534 PolarHBondContact OG-OE2 2.75Å; E534-R538 WeakPolarHBondContact O-CB 3.47Å; E534-R538 PolarHBondContact O-N 2.85Å
535	L	66.5	Low	53.5	Low	97 Å²	97	116.8 Å²	116.8	51%	0.508	57%	0.569	S	S	.	*	H	α-helix	trans	-65.4	-45.8	173.6	-69.2	173	0	0	0	111.5	P530 S531 K532 R538 Y539	P530-L535 HydrophobicContact CB-CD2 4.03Å; P530-L535 HydrophobicContact CB-CG 4.09Å; S531-L535 PolarHBondContact O-N 2.88Å; K532-L535 PolarHBondContact O-N 3.35Å; L535-R538 WeakPolarHBondContact O-CB 3.21Å; L535-R538 PolarHBondContact O-N 2.87Å; L535-Y539 WeakPolarHBondContact O-CB 3.34Å; L535-Y539 PolarHBondContact O-N 2.91Å
536	V	67	Low	52.9	Low	67 Å²	67	119.9 Å²	119.9	41%	0.406	58%	0.58	S	S	.	*	H	α-helix	trans	-65.1	-41.4	176.1	170	0	0	0	0	110.9	K532 D533 R538 Y539 N540	K532-V536 WeakPolarHBondContact O-CB 3.25Å; K532-V536 WeakPolarHBondContact O-CG2 3.4Å; K532-V536 PolarHBondContact O-N 3.24Å; D533-V536 PolarHBondContact O-N 2.94Å; V536-R538 PolarHBondContact O-N 3.03Å; V536-Y539 PolarHBondContact O-N 2.99Å; V536-N540 WeakPolarHBondContact CG1-ND2 3.42Å; V536-N540 VanDerWaalsContact O-CB 3.27Å; V536-N540 WeakPolarHBondContact O-CB 3.5Å; V536-N540 PolarHBondContact O-N 3.07Å; V536-N540 PolarHBondContact O-ND2 3.08Å
537	Q	63.9	Low	52.5	Low	97 Å²	97	117.3 Å²	117.3	45%	0.453	57%	0.568	S	S	.	*	H	α-helix	trans	-63.8	-38.6	172.9	-80	-172.3	22.3	0	0	111.9	D533 Y539 N540 R541	D533-Q537 VanDerWaalsContact O-CB 3.25Å; D533-Q537 WeakPolarHBondContact O-CB 3.36Å; D533-Q537 VanDerWaalsContact O-CG 3.27Å; D533-Q537 WeakPolarHBondContact O-CG 3.3Å; D533-Q537 PolarHBondContact O-N 3.15Å; Q537-Y539 VanDerWaalsContact C-N 3.33Å; Q537-N540 PolarHBondContact O-N 3.05Å; Q537-R541 WeakPolarHBondContact O-CB 3.05Å; Q537-R541 WeakPolarHBondContact O-CG 3.25Å; Q537-R541 PolarHBondContact O-N 3.45Å
538	R	63.6	Low	51.6	Low	165 Å²	165	120.2 Å²	120.2	62%	0.623	59%	0.59	S	S	*	*	H	α-helix	trans	-62.1	-43.9	174.2	-127.2	175.4	-176.5	169.9	1.5	110.9	E534 L535 V536 M542	E534-R538 WeakPolarHBondContact O-CB 3.47Å; E534-R538 PolarHBondContact O-N 2.85Å; L535-R538 WeakPolarHBondContact O-CB 3.21Å; L535-R538 PolarHBondContact O-N 2.87Å; V536-R538 PolarHBondContact O-N 3.03Å; R538-M542 WeakPolarHBondContact O-CG 3.31Å; R538-M542 PolarHBondContact O-N 3.33Å; R538-M542 VanDerWaalsContact O-N 3.16Å
539	Y	56.3	Low	51.1	Low	165 Å²	165	119.3 Å²	119.3	65%	0.647	59%	0.586	S	S	*	*	H	α-helix	trans	-65.4	-42.2	176.9	-156.8	-95.3	0	0	0	111.7	L535 V536 Q537 M542	L535-Y539 WeakPolarHBondContact O-CB 3.34Å; L535-Y539 PolarHBondContact O-N 2.91Å; V536-Y539 PolarHBondContact O-N 2.99Å; Q537-Y539 VanDerWaalsContact C-N 3.33Å; Y539-M542 WeakPolarHBondContact O-CB 3.39Å; Y539-M542 PolarHBondContact O-N 2.8Å
540	N	53.9	Low	51.1	Low	84 Å²	84	116.7 Å²	116.7	45%	0.449	58%	0.583	S	S	.	*	H	α-helix	trans	-72.7	-32.9	178.6	-69.4	-17.8	0	0	0	112.9	V536 Q537 M542 N543 T544	V536-N540 WeakPolarHBondContact CG1-ND2 3.42Å; V536-N540 VanDerWaalsContact O-CB 3.27Å; V536-N540 WeakPolarHBondContact O-CB 3.5Å; V536-N540 PolarHBondContact O-N 3.07Å; V536-N540 PolarHBondContact O-ND2 3.08Å; Q537-N540 PolarHBondContact O-N 3.05Å; N540-M542 VanDerWaalsContact C-N 3.32Å; N540-N543 PolarHBondContact O-N 3.45Å; N540-N543 VanDerWaalsContact O-N 3.12Å; N540-T544 PolarHBondContact O-N 3.41Å; N540-T544 PolarHBondContact O-OG1 3.43Å
541	R	51.6	Low	50.6	Low	150 Å²	150	121.6 Å²	121.6	57%	0.566	61%	0.605	S	S	*	*	H	α-helix	trans	-68.4	-29	172.6	-77.5	-178.5	-150	-175.9	8.4	112.2	Q537 N543 T544 I545	Q537-R541 WeakPolarHBondContact O-CB 3.05Å; Q537-R541 WeakPolarHBondContact O-CG 3.25Å; Q537-R541 PolarHBondContact O-N 3.45Å; R541-N543 PolarHBondContact O-N 2.97Å; R541-T544 PolarHBondContact O-N 3.26Å; R541-I545 PolarHBondContact O-N 3.1Å
542	M	44.6	Very low	50.6	Low	149 Å²	149	124.8 Å²	124.8	73%	0.734	62%	0.615	S	S	*	*	H	α-helix	trans	-61.9	-25.4	170.5	-72.7	-176.7	-167.2	0	0	112	R538 Y539 N540	R538-M542 WeakPolarHBondContact O-CG 3.31Å; R538-M542 PolarHBondContact O-N 3.33Å; R538-M542 VanDerWaalsContact O-N 3.16Å; Y539-M542 WeakPolarHBondContact O-CB 3.39Å; Y539-M542 PolarHBondContact O-N 2.8Å; N540-M542 VanDerWaalsContact C-N 3.32Å
543	N	43.3	Very low	50.6	Low	123 Å²	123	117.5 Å²	117.5	66%	0.658	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-9	-179.6	-69.5	-23.2	0	0	0	114.6	N540 R541	N540-N543 PolarHBondContact O-N 3.45Å; N540-N543 VanDerWaalsContact O-N 3.12Å; R541-N543 PolarHBondContact O-N 2.97Å
544	T	43.9	Very low	50.9	Low	110 Å²	110	117.4 Å²	117.4	68%	0.675	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136	8.9	-167.8	46.9	0	0	0	0	117.2	N540 R541	N540-T544 PolarHBondContact O-N 3.41Å; N540-T544 PolarHBondContact O-OG1 3.43Å; R541-T544 PolarHBondContact O-N 3.26Å
545	I	37.1	Very low	51.7	Low	96 Å²	96	114.8 Å²	114.8	49%	0.492	56%	0.564	S	S	.	*	S	Bend	trans	-126	122	173	-59.8	176.7	0	0	0	110.5	R541 Q547	R541-I545 PolarHBondContact O-N 3.1Å; I545-Q547 PolarHBondContact O-N 3.37Å
546	P	37.3	Very low	52.6	Low	116 Å²	116	111.3 Å²	111.3	75%	0.753	55%	0.546	S	S	*	.			trans	-64.3	119.6	172.6	26.1	-29.8	0	0	0	108.2	T548	P546-T548 PolarHBondContact O-N 3.01Å
547	Q	34.3	Very low	53.3	Low	158 Å²	158	114.8 Å²	114.8	74%	0.738	56%	0.557	S	S	*	*			trans	-12.1	61.7	176	-59.8	-174.6	6.8	0	0	117.9	I545 R549	I545-Q547 PolarHBondContact O-N 3.37Å; Q547-R549 HydrophobicContact CB-CG 4.5Å; Q547-R549 PolarHBondContact O-N 3.24Å
548	T	31.3	Very low	54.3	Low	115 Å²	115	111.4 Å²	111.4	71%	0.706	54%	0.544	S	S	*	.			trans	-75.1	74.9	146.7	56.7	0	0	0	0	104	P546 S550	P546-T548 PolarHBondContact O-N 3.01Å; T548-S550 PolarHBondContact O-N 3.35Å
549	R	35	Very low	55.1	Low	194 Å²	194	112.8 Å²	112.8	73%	0.732	55%	0.55	S	S	*	.			trans	-45.3	113.2	166.8	-72.6	178.9	179.1	173.5	-0.1	104.1	Q547 I551	Q547-R549 HydrophobicContact CB-CG 4.5Å; Q547-R549 PolarHBondContact O-N 3.24Å; R549-I551 PolarHBondContact O-N 3.43Å
550	S	42.7	Very low	56.6	Low	104 Å²	104	108.4 Å²	108.4	73%	0.727	54%	0.537	S	S	*	.			trans	-50.3	106.2	161.7	54	0	0	0	0	103.3	T548 Q552	T548-S550 PolarHBondContact O-N 3.35Å; S550-Q552 VanDerWaalsContact C-N 3.26Å; S550-Q552 PolarHBondContact O-N 3.34Å
551	I	41.7	Very low	58.4	Low	156 Å²	156	104.9 Å²	104.9	80%	0.8	52%	0.518	S	S	*	.			trans	-56.6	104.8	-178	-67	168.3	0	0	0	102.7	R549 S553	R549-I551 PolarHBondContact O-N 3.43Å; I551-S553 PolarHBondContact O-N 2.77Å
552	Q	53.2	Low	60.4	Low	119 Å²	119	98.3 Å²	98.3	56%	0.556	49%	0.494	S	S	*	.			trans	-53.9	115.3	179.4	-78.5	179	-30.2	0	0	104.3	S550 R554	S550-Q552 VanDerWaalsContact C-N 3.26Å; S550-Q552 PolarHBondContact O-N 3.34Å; Q552-R554 PolarHBondContact O-N 2.92Å
553	S	62.6	Low	62.7	Low	16 Å²	16	91.2 Å²	91.2	11%	0.112	46%	0.459	C	S	.	.			trans	-59.4	128.2	-170.8	177	0	0	0	0	108.4	I551 F555 Q557	I551-S553 PolarHBondContact O-N 2.77Å; S553-F555 WeakPolarHBondContact CB-O 3.24Å; S553-F555 PolarHBondContact O-N 3.34Å; S553-F555 PolarHBondContact OG-O 2.92Å; S553-Q557 WeakPolarHBondContact OG-CG 3.49Å; S553-Q557 PolarHBondContact OG-NE2 3.37Å
554	R	73.3	Confident	65.2	Low	110 Å²	110	85.3 Å²	85.3	42%	0.415	43%	0.428	S	S	.	.	S	Bend	trans	-57.5	-34.6	177.9	-174.1	176	-175.3	175	1.7	111.2	E333 K431 Q552	E333-R554 HydrophobicContact CG-CG 3.78Å; E333-R554 WeakPolarHBondContact CG-O 3.09Å; E333-R554 VanDerWaalsContact OE1-CG 3.24Å; E333-R554 WeakPolarHBondContact OE1-CG 3.49Å; E333-R554 IonicContact OE1-CZ 3.89Å; E333-R554 IonicContact OE1-NE 3Å; E333-R554 PolarHBondContact OE1-NE 2.95Å; E333-R554 IonicContact OE1-NH2 2.77Å; E333-R554 PolarHBondContact OE1-NH2 3.37Å; E333-R554 IonicContact OE2-NH2 3.6Å; K431-R554 PolarHBondContact NZ-O 2.96Å; Q552-R554 PolarHBondContact O-N 2.92Å
555	F	83.2	Confident	67.6	Low	19 Å²	19	80.1 Å²	80.1	8%	0.083	40%	0.396	C	S	.	.	S	Bend	trans	-111.8	160.1	-176.7	-57.6	-63.8	0	0	0	111.7	A332 E333 D336 I392 R393 T396 S553	A332-F555 HydrophobicContact CB-CE1 3.45Å; A332-F555 VanDerWaalsContact CB-CE1 3.45Å; A332-F555 HydrophobicContact CB-CZ 3.72Å; E333-F555 HydrophobicContact CG-CD1 4.26Å; E333-F555 HydrophobicContact CG-CE1 4.14Å; D336-F555 HydrophobicContact CB-CD1 4.24Å; D336-F555 WeakPolarHBondContact OD2-CA 3.36Å; D336-F555 WeakPolarHBondContact OD2-CB 3.07Å; I392-F555 HydrophobicContact CB-CD1 4.45Å; I392-F555 HydrophobicContact CG2-CD1 3.65Å; I392-F555 HydrophobicContact CG2-CE1 3.32Å; I392-F555 HydrophobicContact CG2-CG 4.44Å; I392-F555 HydrophobicContact CG2-CZ 3.86Å; R393-F555 HydrophobicContact CB-CD2 4.37Å; T396-F555 HydrophobicContact CG2-CZ 4.19Å; S553-F555 WeakPolarHBondContact CB-O 3.24Å; S553-F555 PolarHBondContact O-N 3.34Å; S553-F555 PolarHBondContact OG-O 2.92Å
556	L	84.7	Confident	70.4	Confident	25 Å²	25	75.5 Å²	75.5	13%	0.131	37%	0.373	C	S	.	.			trans	-60.9	137.5	171.7	-60.4	169	0	0	0	109.3	D336 L337 A340 L561 V597 E599	D336-L556 WeakPolarHBondContact OD2-CB 3.37Å; D336-L556 PolarHBondContact OD2-N 3.01Å; L337-L556 HydrophobicContact CD1-CD1 4.24Å; A340-L556 HydrophobicContact CB-CD1 3.91Å; L556-L561 HydrophobicContact CD1-CD1 3.92Å; L556-L561 HydrophobicContact CD2-CD2 4.15Å; L556-V597 HydrophobicContact CD2-CG1 3.78Å; L556-E599 HydrophobicContact CD2-CG 4.38Å
557	Q	82.1	Confident	73.1	Confident	139 Å²	139	70 Å²	70	65%	0.65	34%	0.337	S	S	*	.			trans	-108.7	-28	-178.5	-57.7	-167.9	-41	0	0	112.2	S553 E599	S553-Q557 WeakPolarHBondContact OG-CG 3.49Å; S553-Q557 PolarHBondContact OG-NE2 3.37Å; Q557-E599 WeakPolarHBondContact CA-OE1 3.35Å; Q557-E599 PolarHBondContact N-OE1 3.21Å
558	S	84.1	Confident	76	Confident	26 Å²	26	62.7 Å²	62.7	18%	0.182	30%	0.303	C	S	.	.			trans	-110.6	156.4	-176.9	-173.7	0	0	0	0	113	N560 L561 E599 D600	S558-N560 PolarHBondContact OG-N 2.92Å; S558-L561 WeakPolarHBondContact O-CD2 3.44Å; S558-E599 PolarHBondContact N-OE1 3.42Å; S558-D600 VanDerWaalsContact CB-OD1 3.25Å; S558-D600 WeakPolarHBondContact CB-OD1 3.47Å; S558-D600 VanDerWaalsContact CB-OD2 3.29Å; S558-D600 WeakPolarHBondContact CB-OD2 3.49Å; S558-D600 VanDerWaalsContact OG-CG 3.3Å; S558-D600 PolarHBondContact OG-OD1 3.39Å; S558-D600 PolarHBondContact OG-OD2 2.64Å
559	R	81	Confident	79.1	Confident	195 Å²	195	57.2 Å²	57.2	74%	0.736	27%	0.269	S	S	*	.	S	Bend	trans	-87.4	-19.3	166.9	-63.6	-169.7	179.2	-158.1	2.5	112.5	E347 L561	E347-R559 IonicContact OE1-NH1 3.87Å; R559-L561 PolarHBondContact O-N 3.29Å; R559-L561 VanDerWaalsContact O-N 3.15Å
560	N	87.4	Confident	82	Confident	73 Å²	73	48 Å²	48	39%	0.39	23%	0.234	S	C	.	.			trans	-84.5	89.7	178.9	-173.8	20.4	0	0	0	109.6	S558 D600	S558-N560 PolarHBondContact OG-N 2.92Å; N560-D600 PolarHBondContact O-N 2.99Å; N560-D600 VanDerWaalsContact O-N 3.07Å
561	L	92.7	Very high	84.6	Confident	9 Å²	9	45.6 Å²	45.6	5%	0.047	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	133.5	-174.3	-57.2	178.7	0	0	0	111.3	A340 I477 L556 S558 R559 V597 Y598 E599	A340-L561 HydrophobicContact CB-CD1 3.86Å; I477-L561 HydrophobicContact CD1-CB 4.37Å; I477-L561 HydrophobicContact CG1-CB 4.31Å; L556-L561 HydrophobicContact CD1-CD1 3.92Å; L556-L561 HydrophobicContact CD2-CD2 4.15Å; S558-L561 WeakPolarHBondContact O-CD2 3.44Å; R559-L561 PolarHBondContact O-N 3.29Å; R559-L561 VanDerWaalsContact O-N 3.15Å; L561-V597 HydrophobicContact CB-CG1 4.46Å; L561-V597 HydrophobicContact CD2-CG1 4.1Å; L561-Y598 WeakPolarHBondContact CA-O 3.31Å; L561-E599 HydrophobicContact CD2-CB 4.46Å; L561-E599 HydrophobicContact CD2-CG 3.82Å
562	N	92.8	Very high	87.1	Confident	12 Å²	12	38.5 Å²	38.5	6%	0.064	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	144.9	167.7	-64.1	111	0	0	0	109.4	S520 M522 Y598	S520-N562 PolarHBondContact O-ND2 3.27Å; M522-N562 HydrophobicContact CB-CB 4.38Å; M522-N562 HydrophobicContact CG-CB 4.16Å; M522-N562 HydrophobicContact SD-CB 3.32Å; M522-N562 WeakPolarHBondContact SD-CB 3.33Å; N562-Y598 PolarHBondContact N-O 3.26Å; N562-Y598 PolarHBondContact O-N 2.78Å
563	C	94	Very high	89	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	135.7	-173.2	-70.9	0	0	0	0	111.7	I477 W480 S520 F595 F596	I477-C563 WeakPolarHBondContact CD1-SG 3.49Å; W480-C563 HydrophobicContact CG-CB 4.39Å; S520-C563 WeakPolarHBondContact CB-O 3.02Å; C563-F595 HydrophobicContact CB-CE1 4.26Å; C563-F595 HydrophobicContact CB-CE2 3.88Å; C563-F595 HydrophobicContact CB-CZ 3.41Å; C563-F595 VanDerWaalsContact CB-CZ 3.41Å; C563-F595 WeakPolarHBondContact SG-CZ 3.36Å; C563-F596 WeakPolarHBondContact CA-O 3.23Å
564	I	94.4	Very high	90.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	150.6	168.1	63.2	150.5	0	0	0	110.5	M440 F472 F517 F596 Y598	M440-I564 HydrophobicContact CE-CD1 3.41Å; M440-I564 VanDerWaalsContact CE-CD1 3.41Å; M440-I564 HydrophobicContact CE-CG1 4.04Å; F472-I564 HydrophobicContact CD1-CD1 3.92Å; F472-I564 HydrophobicContact CE1-CD1 4.31Å; F517-I564 HydrophobicContact CD1-CD1 3.79Å; F517-I564 HydrophobicContact CD1-CG1 4.25Å; F517-I564 HydrophobicContact CD1-CG2 3.94Å; F517-I564 HydrophobicContact CE1-CD1 3.34Å; F517-I564 HydrophobicContact CE1-CG1 3.97Å; F517-I564 HydrophobicContact CZ-CD1 4.26Å; I564-F596 HydrophobicContact CD1-CD2 4.39Å; I564-F596 HydrophobicContact CG1-CB 4.17Å; I564-F596 HydrophobicContact CG1-CD2 4.12Å; I564-F596 PolarHBondContact N-O 2.89Å; I564-F596 VanDerWaalsContact N-O 3.11Å; I564-F596 PolarHBondContact O-N 2.83Å; I564-Y598 HydrophobicContact CG1-CE2 3.97Å
565	A	95.1	Very high	91.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	148.6	172.8	0	0	0	0	0	111.1	F472 H473 W480 T592 F594 F595	F472-A565 CarbonylContact C-O 3.52Å; F472-A565 VanDerWaalsContact CA-O 3.26Å; F472-A565 WeakPolarHBondContact CA-O 3.39Å; H473-A565 PolarHBondContact N-O 2.9Å; H473-A565 PolarHBondContact O-N 2.86Å; W480-A565 HydrophobicContact CH2-CB 3.36Å; W480-A565 HydrophobicContact CZ2-CB 4.26Å; W480-A565 HydrophobicContact CZ3-CB 3.95Å; A565-T592 HydrophobicContact CB-CG2 3.73Å; A565-F594 CarbonylContact C-O 3.56Å; A565-F594 VanDerWaalsContact CA-O 3.24Å; A565-F594 WeakPolarHBondContact CA-O 3.42Å; A565-F595 HydrophobicContact CB-CD2 4.4Å
566	L	95.1	Very high	92.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	116.1	159.5	178.7	64.4	0	0	0	107.9	F470 F472 R593 F594 F596 T610 I619	F470-L566 HydrophobicContact CB-CD1 3.92Å; F470-L566 HydrophobicContact CD1-CG 4.38Å; F472-L566 HydrophobicContact CD1-CB 4.12Å; F472-L566 HydrophobicContact CD1-CD1 3.89Å; F472-L566 HydrophobicContact CE1-CB 4.11Å; F472-L566 HydrophobicContact CE1-CD1 3.79Å; F472-L566 HydrophobicContact CE1-CG 4.4Å; F472-L566 HydrophobicContact CE2-CD1 4.49Å; F472-L566 HydrophobicContact CG-CD1 4.29Å; F472-L566 HydrophobicContact CZ-CD1 4.11Å; L566-R593 PolarHBondContact O-N 2.85Å; L566-F594 HydrophobicContact CB-CB 4.02Å; L566-F594 HydrophobicContact CB-CD2 4.2Å; L566-F594 HydrophobicContact CD2-CD2 3.68Å; L566-F594 HydrophobicContact CD2-CE2 4.18Å; L566-F594 HydrophobicContact CD2-CG 4.39Å; L566-F594 HydrophobicContact CG-CD2 4.2Å; L566-F594 PolarHBondContact N-O 3.36Å; L566-F594 PolarHBondContact O-N 3.47Å; L566-F596 HydrophobicContact CB-CE2 3.84Å; L566-F596 HydrophobicContact CB-CZ 4.47Å; L566-T610 HydrophobicContact CD1-CG2 3.62Å; L566-I619 HydrophobicContact CD1-CD1 4.45Å; L566-I619 HydrophobicContact CD2-CD1 3.65Å; L566-I619 HydrophobicContact CD2-CG1 3.75Å; L566-I619 HydrophobicContact CD2-CG2 4.01Å
567	C	94.9	Very high	92.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	145	-177.3	-60.7	0	0	0	0	110.5	F470 A471 L509 V569 V590 C591	F470-C567 CarbonylContact C-O 3.13Å; F470-C567 VanDerWaalsContact CA-O 3.28Å; F470-C567 WeakPolarHBondContact CA-O 3.42Å; A471-C567 PolarHBondContact N-O 2.9Å; A471-C567 PolarHBondContact O-N 2.73Å; L509-C567 HydrophobicContact CD2-CB 3.97Å; C567-V569 HydrophobicContact CB-CG2 4.26Å; C567-V590 HydrophobicContact CB-CG1 3.87Å; C567-C591 CarbonylContact C-O 3.57Å; C567-C591 VanDerWaalsContact CA-O 3.23Å; C567-C591 WeakPolarHBondContact CA-O 3.32Å
568	E	94	Very high	93.4	Very high	5 Å²	5	44 Å²	44	2%	0.023	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	129.9	161.9	-163.1	-173.6	174.1	0	0	108.3	F459 K463 S468 T469 F470 C591 R593	F459-E568 HydrophobicContact CE1-CB 4.42Å; F459-E568 HydrophobicContact CE1-CG 4.15Å; F459-E568 WeakPolarHBondContact CE1-OE2 3.46Å; F459-E568 WeakPolarHBondContact CE2-O 3.36Å; F459-E568 HydrophobicContact CZ-CB 3.81Å; F459-E568 HydrophobicContact CZ-CG 3.7Å; K463-E568 WeakPolarHBondContact CD-OE1 3.23Å; K463-E568 WeakPolarHBondContact CE-OE1 3.34Å; K463-E568 IonicContact NZ-OE1 3.54Å; K463-E568 PolarHBondContact NZ-OE1 2.79Å; K463-E568 IonicContact NZ-OE2 3.29Å; S468-E568 WeakPolarHBondContact CB-OE1 3.15Å; S468-E568 PolarHBondContact OG-OE1 2.68Å; T469-E568 CarbonylContact O-C 3.58Å; T469-E568 WeakPolarHBondContact O-CA 3.36Å; F470-E568 HydrophobicContact CD1-CB 4.19Å; F470-E568 HydrophobicContact CD1-CG 4.4Å; F470-E568 HydrophobicContact CE1-CB 3.94Å; F470-E568 HydrophobicContact CE1-CG 3.97Å; F470-E568 HydrophobicContact CZ-CG 4.38Å; E568-C591 PolarHBondContact N-O 2.9Å; E568-C591 PolarHBondContact O-N 2.83Å; E568-R593 HydrophobicContact CB-CG 3.71Å; E568-R593 IonicContact OE2-CZ 3.55Å; E568-R593 VanDerWaalsContact OE2-CZ 3.32Å; E568-R593 IonicContact OE2-NE 2.71Å; E568-R593 PolarHBondContact OE2-NE 3.28Å; E568-R593 IonicContact OE2-NH2 2.9Å; E568-R593 PolarHBondContact OE2-NH2 3.19Å
569	V	96.3	Very high	93.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.6	-170.8	-171.9	0	0	0	0	109.1	S468 T469 A471 L509 C567 L575 H589 V590	S468-V569 CarbonylContact C-O 3.59Å; S468-V569 VanDerWaalsContact CA-O 3.23Å; S468-V569 WeakPolarHBondContact CA-O 3.48Å; S468-V569 WeakPolarHBondContact CB-O 3.26Å; T469-V569 PolarHBondContact N-O 2.87Å; T469-V569 PolarHBondContact O-N 2.61Å; A471-V569 HydrophobicContact CB-CG2 4.13Å; L509-V569 HydrophobicContact CD1-CG1 4.12Å; L509-V569 HydrophobicContact CD1-CG2 3.77Å; L509-V569 HydrophobicContact CD2-CG2 4.11Å; C567-V569 HydrophobicContact CB-CG2 4.26Å; V569-L575 HydrophobicContact CG1-CD1 3.79Å; V569-L575 HydrophobicContact CG1-CD2 4.03Å; V569-H589 CarbonylContact C-O 3.49Å; V569-H589 WeakPolarHBondContact CA-O 3.32Å; V569-V590 HydrophobicContact CG1-CG2 4.39Å; V569-V590 HydrophobicContact CG2-CG1 4.48Å
570	I	97.1	Very high	94.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	132.3	177.1	-56.8	-55.8	0	0	0	110.1	F459 A462 K463 Y466 S572 H589	F459-I570 HydrophobicContact CD1-CD1 4.37Å; F459-I570 HydrophobicContact CD2-CD1 4.02Å; F459-I570 HydrophobicContact CD2-CG1 4.02Å; F459-I570 HydrophobicContact CE1-CD1 3.97Å; F459-I570 HydrophobicContact CE2-CD1 3.6Å; F459-I570 HydrophobicContact CE2-CG1 3.72Å; F459-I570 HydrophobicContact CG-CD1 4.38Å; F459-I570 HydrophobicContact CZ-CD1 3.56Å; F459-I570 HydrophobicContact CZ-CG1 4.19Å; A462-I570 HydrophobicContact CB-CD1 4.19Å; A462-I570 HydrophobicContact CB-CG1 3.95Å; A462-I570 HydrophobicContact CB-CG2 4.17Å; K463-I570 HydrophobicContact CB-CD1 3.71Å; Y466-I570 HydrophobicContact CD2-CG2 3.88Å; Y466-I570 HydrophobicContact CG-CG2 4.24Å; I570-S572 PolarHBondContact O-N 3.29Å; I570-S572 VanDerWaalsContact O-N 3.13Å; I570-H589 HydrophobicContact CB-CB 3.81Å; I570-H589 HydrophobicContact CG1-CB 3.93Å; I570-H589 PolarHBondContact N-O 2.95Å
571	T	95.8	Very high	94.9	Very high	53 Å²	53	38.6 Å²	38.6	33%	0.325	20%	0.203	S	C	.	.			trans	-87.5	44.3	179.2	43.6	0	0	0	0	112.4	Y466 G467 T469 L575	Y466-T571 PolarHBondContact O-OG1 3.35Å; G467-T571 VanDerWaalsContact C-OG1 3.3Å; G467-T571 PolarHBondContact O-N 3.02Å; G467-T571 PolarHBondContact O-OG1 2.84Å; T469-T571 HydrophobicContact CG2-CG2 3.68Å; T571-L575 HydrophobicContact CG2-CD2 4.43Å
572	S	94.8	Very high	95.2	Very high	8 Å²	8	38.6 Å²	38.6	6%	0.056	20%	0.202	C	C	.	.	S	Bend	trans	-73.8	169	173.6	78.8	0	0	0	0	111	I570 D574 L575 H589	I570-S572 PolarHBondContact O-N 3.29Å; I570-S572 VanDerWaalsContact O-N 3.13Å; S572-D574 PolarHBondContact O-N 3.45Å; S572-D574 VanDerWaalsContact O-N 3.09Å; S572-D574 PolarHBondContact OG-N 3.08Å; S572-D574 PolarHBondContact OG-OD2 2.88Å; S572-L575 PolarHBondContact O-N 2.61Å; S572-L575 VanDerWaalsContact O-N 3.11Å; S572-H589 PolarHBondContact OG-CE1 3.35Å; S572-H589 VanDerWaalsContact OG-CE1 3.28Å; S572-H589 PolarHBondContact OG-ND1 3.27Å; S572-H589 VanDerWaalsContact OG-ND1 3.14Å
573	K	94.2	Very high	95.4	Very high	197 Å²	197	38 Å²	38	86%	0.857	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-17.9	173.1	64.4	-179.7	-179	179.1	0	114.2	L575	K573-L575 VanDerWaalsContact C-N 3.33Å
574	D	94.3	Very high	95.6	Very high	59 Å²	59	38 Å²	38	32%	0.316	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-18.3	-179.8	-44.8	-62.7	0	0	0	112.1	S572 Q576 P585 V586 H589	S572-D574 PolarHBondContact O-N 3.45Å; S572-D574 VanDerWaalsContact O-N 3.09Å; S572-D574 PolarHBondContact OG-N 3.08Å; S572-D574 PolarHBondContact OG-OD2 2.88Å; D574-Q576 PolarHBondContact O-N 3.22Å; D574-Q576 VanDerWaalsContact O-N 3.12Å; D574-P585 WeakPolarHBondContact O-CD 3.41Å; D574-V586 HydrophobicContact CB-CG2 4.25Å; D574-H589 IonicContact OD2-CE1 3.74Å
575	L	97.1	Very high	95.7	Very high	15 Å²	15	40 Å²	40	8%	0.079	21%	0.211	C	C	.	.			trans	-74.6	100.7	177.1	-179.1	63.8	0	0	0	110	V569 T571 S572 K573 K577 W582 C584	V569-L575 HydrophobicContact CG1-CD1 3.79Å; V569-L575 HydrophobicContact CG1-CD2 4.03Å; T571-L575 HydrophobicContact CG2-CD2 4.43Å; S572-L575 PolarHBondContact O-N 2.61Å; S572-L575 VanDerWaalsContact O-N 3.11Å; K573-L575 VanDerWaalsContact C-N 3.33Å; L575-K577 HydrophobicContact CG-CG 4.34Å; L575-W582 HydrophobicContact CD1-CB 4.23Å; L575-W582 HydrophobicContact CD2-CE3 4.33Å; L575-C584 HydrophobicContact CD1-CB 4Å
576	Q	96.3	Very high	95.7	Very high	77 Å²	77	42.2 Å²	42.2	36%	0.36	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	120.9	179.9	-62.7	169.1	10	0	0	109.6	Y503 D574 W582 V583	Y503-Q576 PolarHBondContact O-OE1 2.91Å; D574-Q576 PolarHBondContact O-N 3.22Å; D574-Q576 VanDerWaalsContact O-N 3.12Å; Q576-W582 CarbonylContact O-C 3.55Å; Q576-W582 VanDerWaalsContact O-CA 3.27Å; Q576-W582 WeakPolarHBondContact O-CA 3.42Å; Q576-V583 HydrophobicContact CB-CB 4.35Å; Q576-V583 PolarHBondContact N-O 2.81Å; Q576-V583 PolarHBondContact O-N 3.22Å
577	K	95.8	Very high	95.6	Very high	109 Å²	109	43.8 Å²	43.8	47%	0.474	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	105.7	-178.7	-62.5	-176.6	-178.7	178.3	0	110.5	L575 W582	L575-K577 HydrophobicContact CG-CG 4.34Å; K577-W582 HydrophobicContact CD-CZ2 4.27Å; K577-W582 HydrophobicContact CG-CD2 4.21Å; K577-W582 HydrophobicContact CG-CG 4.06Å
578	H	95.1	Very high	95.3	Very high	85 Å²	85	46 Å²	46	39%	0.394	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	78.1	174.3	-60.5	-82.7	0	0	0	109.2	Y503 N580 I581	Y503-H578 HydrophobicContact CD1-CB 3.65Å; Y503-H578 AromaticContact CD1-CD2 3.93Å; Y503-H578 AromaticContact CD1-CG 3.54Å; Y503-H578 AromaticContact CD1-ND1 3.92Å; Y503-H578 HydrophobicContact CE1-CB 3.97Å; Y503-H578 HydrophobicContact CG-CB 4.19Å; H578-N580 PolarHBondContact O-N 3.06Å; H578-N580 VanDerWaalsContact O-N 3.15Å; H578-I581 CarbonylContact C-O 3.24Å; H578-I581 WeakPolarHBondContact CA-O 3.28Å; H578-I581 PolarHBondContact N-O 3.05Å; H578-I581 PolarHBondContact O-N 2.82Å
579	G	93.3	Very high	95.4	Very high	60 Å²	60	46.8 Å²	46.8	62%	0.619	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	-116.3	-171.6	0	0	0	0	0	111.4	I581 W582	G579-I581 VanDerWaalsContact C-N 3.35Å; G579-W582 PolarHBondContact O-NE1 3.48Å; G579-W582 VanDerWaalsContact O-NE1 3.14Å
580	N	94.3	Very high	95.3	Very high	86 Å²	86	46.8 Å²	46.8	46%	0.46	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	5.7	179.2	-64.5	-27.9	0	0	0	113.7	S510 P511 I512 I515 H578	S510-N580 VanDerWaalsContact CB-O 3.29Å; S510-N580 WeakPolarHBondContact CB-O 3.26Å; S510-N580 PolarHBondContact OG-O 3.13Å; P511-N580 WeakPolarHBondContact CD-O 3.3Å; I512-N580 HydrophobicContact CG1-CB 4.08Å; I515-N580 HydrophobicContact CD1-CB 3.79Å; H578-N580 PolarHBondContact O-N 3.06Å; H578-N580 VanDerWaalsContact O-N 3.15Å
581	I	96.1	Very high	94.9	Very high	36 Å²	36	46.9 Å²	46.9	19%	0.185	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	118.7	176.5	-60.4	171.2	0	0	0	108.2	Y503 Y508 H578 G579	Y503-I581 HydrophobicContact CD2-CB 4.34Å; Y503-I581 HydrophobicContact CD2-CD1 4.16Å; Y503-I581 HydrophobicContact CD2-CG2 3.74Å; Y503-I581 HydrophobicContact CE2-CB 4.37Å; Y503-I581 HydrophobicContact CE2-CD1 3.46Å; Y503-I581 VanDerWaalsContact CE2-CD1 3.46Å; Y503-I581 HydrophobicContact CE2-CG2 4.16Å; Y503-I581 HydrophobicContact CG-CG2 4.42Å; Y508-I581 HydrophobicContact CD1-CG2 3.97Å; Y508-I581 HydrophobicContact CE1-CG2 4.25Å; H578-I581 CarbonylContact C-O 3.24Å; H578-I581 WeakPolarHBondContact CA-O 3.28Å; H578-I581 PolarHBondContact N-O 3.05Å; H578-I581 PolarHBondContact O-N 2.82Å; G579-I581 VanDerWaalsContact C-N 3.35Å
582	W	97.6	Very high	94.6	Very high	9 Å²	9	44.9 Å²	44.9	3%	0.034	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	140.2	-178.1	-59.3	-3.6	0	0	0	109.9	T469 A471 Y508 L509 P511 L575 Q576 K577 G579 Q611	T469-W582 HydrophobicContact CG2-CH2 3.94Å; T469-W582 HydrophobicContact CG2-CZ3 3.6Å; A471-W582 HydrophobicContact CB-CE3 3.81Å; A471-W582 HydrophobicContact CB-CZ3 3.83Å; Y508-W582 WeakPolarHBondContact CA-O 3.05Å; L509-W582 HydrophobicContact CB-CB 4.21Å; L509-W582 PolarHBondContact N-O 3.19Å; L509-W582 PolarHBondContact O-N 2.89Å; P511-W582 HydrophobicContact CB-CH2 4.16Å; P511-W582 HydrophobicContact CB-CZ2 3.92Å; P511-W582 HydrophobicContact CG-CH2 4.46Å; P511-W582 HydrophobicContact CG-CZ2 3.75Å; L575-W582 HydrophobicContact CD1-CB 4.23Å; L575-W582 HydrophobicContact CD2-CE3 4.33Å; Q576-W582 CarbonylContact O-C 3.55Å; Q576-W582 VanDerWaalsContact O-CA 3.27Å; Q576-W582 WeakPolarHBondContact O-CA 3.42Å; K577-W582 HydrophobicContact CD-CZ2 4.27Å; K577-W582 HydrophobicContact CG-CD2 4.21Å; K577-W582 HydrophobicContact CG-CG 4.06Å; G579-W582 PolarHBondContact O-NE1 3.48Å; G579-W582 VanDerWaalsContact O-NE1 3.14Å; W582-Q611 HydrophobicContact CH2-CG 4.22Å; W582-Q611 HydrophobicContact CZ2-CG 4.26Å
583	V	97.7	Very high	94.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	119.9	-179.8	-176.2	0	0	0	0	108.2	I507 Y508 Q576	I507-V583 WeakPolarHBondContact O-CA 3.26Å; Y508-V583 HydrophobicContact CD1-CG2 4.08Å; Y508-V583 HydrophobicContact CD2-CG1 4.5Å; Y508-V583 HydrophobicContact CD2-CG2 4.33Å; Y508-V583 HydrophobicContact CE1-CG2 3.77Å; Y508-V583 HydrophobicContact CE2-CG1 4.09Å; Y508-V583 HydrophobicContact CE2-CG2 4.01Å; Y508-V583 HydrophobicContact CG-CG2 4.34Å; Q576-V583 HydrophobicContact CB-CB 4.35Å; Q576-V583 PolarHBondContact N-O 2.81Å; Q576-V583 PolarHBondContact O-N 3.22Å
584	C	97.4	Very high	94.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	105.5	177.6	-169.1	0	0	0	0	110	G506 I507 L509 L575 V586 V590	G506-C584 CarbonylContact C-O 3.54Å; G506-C584 WeakPolarHBondContact CA-O 3.26Å; I507-C584 PolarHBondContact N-O 3.25Å; I507-C584 PolarHBondContact O-N 3.36Å; L509-C584 HydrophobicContact CD1-CB 4.01Å; L575-C584 HydrophobicContact CD1-CB 4Å; C584-V586 VanDerWaalsContact C-N 3.32Å; C584-V586 PolarHBondContact O-N 3.05Å; C584-V586 PolarHBondContact SG-O 3.28Å; C584-V590 HydrophobicContact CB-CG2 3.74Å
585	P	96.6	Very high	94.2	Very high	40 Å²	40	33.5 Å²	33.5	26%	0.26	19%	0.186	S	C	.	.			trans	-66.7	-33	-179.8	-20.1	31.7	0	0	0	113.4	K505 D574	K505-P585 WeakPolarHBondContact O-CA 3.5Å; K505-P585 WeakPolarHBondContact O-CB 3.17Å; K505-P585 WeakPolarHBondContact O-CG 3.35Å; D574-P585 WeakPolarHBondContact O-CD 3.41Å
586	V	95.6	Very high	94	Very high	48 Å²	48	32.8 Å²	32.8	29%	0.291	18%	0.182	S	C	.	.			trans	-88.8	111.3	-174.4	-175.7	0	0	0	0	110	D574 C584 D588 H589	D574-V586 HydrophobicContact CB-CG2 4.25Å; C584-V586 VanDerWaalsContact C-N 3.32Å; C584-V586 PolarHBondContact O-N 3.05Å; C584-V586 PolarHBondContact SG-O 3.28Å; V586-D588 HydrophobicContact CG1-CB 4.29Å; V586-D588 PolarHBondContact O-N 3.2Å; V586-H589 HydrophobicContact CB-CB 4.13Å; V586-H589 HydrophobicContact CG1-CB 4.33Å; V586-H589 WeakPolarHBondContact O-CB 3.17Å; V586-H589 PolarHBondContact O-N 2.74Å
587	S	92.7	Very high	93.9	Very high	33 Å²	33	29.1 Å²	29.1	23%	0.231	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-66.3	-27.2	-175.7	-59.7	0	0	0	0	113.6	K455 L488 V489 N490 H589 V590	K455-S587 WeakPolarHBondContact CE-O 3.38Å; K455-S587 PolarHBondContact NZ-O 3.27Å; L488-S587 WeakPolarHBondContact O-CB 3.5Å; V489-S587 WeakPolarHBondContact CA-OG 3.43Å; N490-S587 PolarHBondContact N-OG 3.42Å; N490-S587 VanDerWaalsContact N-OG 3.13Å; S587-H589 PolarHBondContact O-N 3.02Å; S587-V590 PolarHBondContact O-N 3.41Å
588	D	89.9	Confident	93.7	Very high	47 Å²	47	24 Å²	24	25%	0.251	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-74.3	-12	175.6	-68.7	-30.5	0	0	0	113.4	R458 F459 V586 V590	R458-D588 HydrophobicContact CB-CB 4.4Å; R458-D588 IonicContact CZ-OD1 2.74Å; R458-D588 IonicContact CZ-OD2 3.9Å; R458-D588 IonicContact NE-OD1 3.63Å; R458-D588 PolarHBondContact NE-OD1 3.29Å; R458-D588 IonicContact NE-OD2 3.4Å; R458-D588 PolarHBondContact NE-OD2 3.34Å; R458-D588 IonicContact NH2-OD1 2.71Å; R458-D588 PolarHBondContact NH2-OD1 2.85Å; R458-D588 IonicContact NH2-OD2 3.67Å; F459-D588 WeakPolarHBondContact CD2-O 3.25Å; V586-D588 HydrophobicContact CG1-CB 4.29Å; V586-D588 PolarHBondContact O-N 3.2Å; D588-V590 VanDerWaalsContact C-N 3.29Å
589	H	95.2	Very high	93.5	Very high	21 Å²	21	20.3 Å²	20.3	10%	0.097	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-87.6	2.6	175.6	-74.4	-168.1	0	0	0	112.8	V569 I570 S572 D574 V586 S587	V569-H589 CarbonylContact C-O 3.49Å; V569-H589 WeakPolarHBondContact CA-O 3.32Å; I570-H589 HydrophobicContact CB-CB 3.81Å; I570-H589 HydrophobicContact CG1-CB 3.93Å; I570-H589 PolarHBondContact N-O 2.95Å; S572-H589 PolarHBondContact OG-CE1 3.35Å; S572-H589 VanDerWaalsContact OG-CE1 3.28Å; S572-H589 PolarHBondContact OG-ND1 3.27Å; S572-H589 VanDerWaalsContact OG-ND1 3.14Å; D574-H589 IonicContact OD2-CE1 3.74Å; V586-H589 HydrophobicContact CB-CB 4.13Å; V586-H589 HydrophobicContact CG1-CB 4.33Å; V586-H589 WeakPolarHBondContact O-CB 3.17Å; V586-H589 PolarHBondContact O-N 2.74Å; S587-H589 PolarHBondContact O-N 3.02Å
590	V	94	Very high	93.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	119.7	179.6	-172	0	0	0	0	109.6	K455 L488 I507 L509 C567 V569 C584 S587 D588	K455-V590 VanDerWaalsContact CE-O 3.31Å; K455-V590 WeakPolarHBondContact CE-O 3.3Å; K455-V590 PolarHBondContact NZ-O 2.93Å; L488-V590 HydrophobicContact CD1-CG1 3.76Å; I507-V590 HydrophobicContact CD1-CB 4.15Å; I507-V590 HydrophobicContact CD1-CG2 3.9Å; L509-V590 HydrophobicContact CD1-CG1 4.34Å; L509-V590 HydrophobicContact CD1-CG2 3.95Å; L509-V590 HydrophobicContact CD2-CG1 4.3Å; C567-V590 HydrophobicContact CB-CG1 3.87Å; V569-V590 HydrophobicContact CG1-CG2 4.39Å; V569-V590 HydrophobicContact CG2-CG1 4.48Å; C584-V590 HydrophobicContact CB-CG2 3.74Å; S587-V590 PolarHBondContact O-N 3.41Å; D588-V590 VanDerWaalsContact C-N 3.29Å
591	C	89.1	Confident	92.4	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.007	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	126.6	175	-175.5	0	0	0	0	109.8	S451 E456 F459 C567 E568 R593	S451-C591 PolarHBondContact OG-SG 3.43Å; E456-C591 PolarHBondContact OE2-SG 3.05Å; E456-C591 VanDerWaalsContact OE2-SG 3.34Å; F459-C591 HydrophobicContact CD1-CB 4.24Å; F459-C591 HydrophobicContact CD2-CB 3.66Å; F459-C591 HydrophobicContact CE1-CB 4.24Å; F459-C591 HydrophobicContact CE2-CB 3.65Å; F459-C591 HydrophobicContact CG-CB 3.97Å; F459-C591 HydrophobicContact CZ-CB 3.97Å; C567-C591 CarbonylContact C-O 3.57Å; C567-C591 VanDerWaalsContact CA-O 3.23Å; C567-C591 WeakPolarHBondContact CA-O 3.32Å; E568-C591 PolarHBondContact N-O 2.9Å; E568-C591 PolarHBondContact O-N 2.83Å; C591-R593 PolarHBondContact SG-NH1 3.28Å
592	T	90.1	Very high	91.8	Very high	11 Å²	11	21.7 Å²	21.7	7%	0.067	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	127.1	174.5	-59.5	0	0	0	0	109.5	L448 A565	L448-T592 WeakPolarHBondContact CB-O 3.41Å; L448-T592 HydrophobicContact CD1-CG2 4.47Å; L448-T592 HydrophobicContact CD2-CG2 3.67Å; L448-T592 HydrophobicContact CG-CG2 4.5Å; A565-T592 HydrophobicContact CB-CG2 3.73Å
593	R	88.7	Confident	91.1	Very high	25 Å²	25	25 Å²	25	9%	0.094	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	-42.8	-179.5	-64.6	-57.2	-170.9	-165	-5.3	112.6	L447 L448 E456 F470 L566 E568 C591	L447-R593 WeakPolarHBondContact CD1-O 3.3Å; L448-R593 PolarHBondContact N-O 3.47Å; E456-R593 IonicContact OE1-CZ 2.73Å; E456-R593 IonicContact OE1-NH1 3.2Å; E456-R593 PolarHBondContact OE1-NH1 3.46Å; E456-R593 IonicContact OE1-NH2 3.58Å; E456-R593 PolarHBondContact OE1-NH2 3.34Å; E456-R593 IonicContact OE2-NH1 3.46Å; E456-R593 PolarHBondContact OE2-NH1 3.08Å; E456-R593 IonicContact OE2-NH2 3.39Å; F470-R593 HydrophobicContact CE1-CG 4.39Å; L566-R593 PolarHBondContact O-N 2.85Å; E568-R593 HydrophobicContact CB-CG 3.71Å; E568-R593 IonicContact OE2-CZ 3.55Å; E568-R593 VanDerWaalsContact OE2-CZ 3.32Å; E568-R593 IonicContact OE2-NE 2.71Å; E568-R593 PolarHBondContact OE2-NE 3.28Å; E568-R593 IonicContact OE2-NH2 2.9Å; E568-R593 PolarHBondContact OE2-NH2 3.19Å; C591-R593 PolarHBondContact SG-NH1 3.28Å
594	F	92	Very high	90.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	152.8	173.8	-55.8	-101.3	0	0	0	111.1	L432 L437 F446 L447 A565 L566 F596 I619 V622 I623	L432-F594 HydrophobicContact CD1-CD1 4.24Å; L432-F594 HydrophobicContact CD1-CE1 4.22Å; L437-F594 HydrophobicContact CD1-CD1 3.84Å; L437-F594 HydrophobicContact CD1-CD2 4.49Å; L437-F594 HydrophobicContact CD1-CE1 3.9Å; L437-F594 HydrophobicContact CD1-CG 4.14Å; L437-F594 HydrophobicContact CD1-CZ 4.25Å; F446-F594 CarbonylContact O-C 3.47Å; F446-F594 VanDerWaalsContact O-CA 3.3Å; F446-F594 WeakPolarHBondContact O-CA 3.46Å; L447-F594 HydrophobicContact CD1-CD1 3.84Å; L447-F594 HydrophobicContact CD1-CD2 4.47Å; L447-F594 HydrophobicContact CD1-CE1 3.5Å; L447-F594 VanDerWaalsContact CD1-CE1 3.5Å; L447-F594 HydrophobicContact CD1-CE2 4.17Å; L447-F594 HydrophobicContact CD1-CG 4.32Å; L447-F594 HydrophobicContact CD1-CZ 3.69Å; A565-F594 CarbonylContact C-O 3.56Å; A565-F594 VanDerWaalsContact CA-O 3.24Å; A565-F594 WeakPolarHBondContact CA-O 3.42Å; L566-F594 HydrophobicContact CB-CB 4.02Å; L566-F594 HydrophobicContact CB-CD2 4.2Å; L566-F594 HydrophobicContact CD2-CD2 3.68Å; L566-F594 HydrophobicContact CD2-CE2 4.18Å; L566-F594 HydrophobicContact CD2-CG 4.39Å; L566-F594 HydrophobicContact CG-CD2 4.2Å; L566-F594 PolarHBondContact N-O 3.36Å; L566-F594 PolarHBondContact O-N 3.47Å; F594-F596 HydrophobicContact CB-CE1 4.21Å; F594-F596 HydrophobicContact CB-CE2 3.66Å; F594-F596 HydrophobicContact CB-CZ 3.44Å; F594-F596 VanDerWaalsContact CB-CZ 3.44Å; F594-F596 HydrophobicContact CD1-CZ 4.41Å; F594-F596 HydrophobicContact CG-CZ 4.08Å; F594-I619 HydrophobicContact CE2-CG2 3.84Å; F594-I619 HydrophobicContact CZ-CG2 4.47Å; F594-V622 HydrophobicContact CE1-CB 4.19Å; F594-V622 HydrophobicContact CE1-CG1 3.63Å; F594-V622 HydrophobicContact CZ-CB 4.09Å; F594-V622 HydrophobicContact CZ-CG1 3.99Å; F594-I623 HydrophobicContact CE2-CD1 3.9Å; F594-I623 HydrophobicContact CE2-CG1 3.67Å; F594-I623 HydrophobicContact CZ-CD1 4.36Å; F594-I623 HydrophobicContact CZ-CG1 3.62Å
595	F	93.6	Very high	89.8	Confident	1 Å²	1	28.6 Å²	28.6	0%	0.004	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	128.6	178.1	-170.1	-102	0	0	0	109.5	L337 M341 F446 L448 W480 C563 A565 V597	L337-F595 HydrophobicContact CD1-CE1 4.13Å; L337-F595 HydrophobicContact CD2-CD1 3.75Å; L337-F595 HydrophobicContact CD2-CE1 3.75Å; L337-F595 HydrophobicContact CG-CE1 4.41Å; M341-F595 HydrophobicContact CE-CD1 4.13Å; M341-F595 HydrophobicContact CE-CE1 3.11Å; M341-F595 HydrophobicContact CE-CE2 4.12Å; M341-F595 HydrophobicContact CE-CZ 3.11Å; F446-F595 HydrophobicContact CB-CB 4.24Å; F446-F595 HydrophobicContact CD2-CD1 4.2Å; F446-F595 PolarHBondContact N-O 2.82Å; F446-F595 PolarHBondContact O-N 3.48Å; L448-F595 HydrophobicContact CD1-CB 3.67Å; W480-F595 HydrophobicContact CB-CZ 4.39Å; W480-F595 HydrophobicContact CD2-CD2 4.42Å; W480-F595 AromaticContact CD2-CE2 3.36Å; W480-F595 HydrophobicContact CD2-CE2 3.36Å; W480-F595 AromaticContact CD2-CZ 3.9Å; W480-F595 HydrophobicContact CD2-CZ 3.9Å; W480-F595 AromaticContact CE2-CE2 3.65Å; W480-F595 HydrophobicContact CE3-CD2 4.04Å; W480-F595 AromaticContact CE3-CE2 3.36Å; W480-F595 HydrophobicContact CE3-CE2 3.36Å; W480-F595 HydrophobicContact CE3-CZ 4.2Å; W480-F595 AromaticContact CG-CE2 3.94Å; W480-F595 HydrophobicContact CG-CE2 3.94Å; W480-F595 AromaticContact CG-CZ 3.97Å; W480-F595 HydrophobicContact CG-CZ 3.97Å; W480-F595 HydrophobicContact CH2-CD2 4.33Å; W480-F595 AromaticContact CH2-CE2 3.97Å; W480-F595 HydrophobicContact CH2-CE2 3.97Å; W480-F595 AromaticContact CZ2-CE2 3.96Å; W480-F595 HydrophobicContact CZ2-CE2 3.96Å; W480-F595 AromaticContact CZ3-CD2 3.99Å; W480-F595 HydrophobicContact CZ3-CD2 3.99Å; W480-F595 AromaticContact CZ3-CE2 3.68Å; W480-F595 HydrophobicContact CZ3-CE2 3.68Å; C563-F595 HydrophobicContact CB-CE1 4.26Å; C563-F595 HydrophobicContact CB-CE2 3.88Å; C563-F595 HydrophobicContact CB-CZ 3.41Å; C563-F595 VanDerWaalsContact CB-CZ 3.41Å; C563-F595 WeakPolarHBondContact SG-CZ 3.36Å; A565-F595 HydrophobicContact CB-CD2 4.4Å; F595-V597 HydrophobicContact CD1-CG2 3.91Å; F595-V597 HydrophobicContact CE1-CG2 3.51Å
596	F	93.9	Very high	89.1	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129.5	-174.5	-51.7	-79.5	0	0	0	109.5	L437 M440 T442 Q445 C563 I564 L566 F594 Y598	L437-F596 HydrophobicContact CB-CE1 4.49Å; L437-F596 HydrophobicContact CD1-CE1 3.93Å; L437-F596 HydrophobicContact CD1-CZ 3.59Å; M440-F596 HydrophobicContact CB-CD1 3.94Å; M440-F596 HydrophobicContact CB-CE1 4.07Å; M440-F596 HydrophobicContact CE-CB 4.05Å; M440-F596 HydrophobicContact CE-CD1 4Å; M440-F596 HydrophobicContact CE-CD2 3.41Å; M440-F596 VanDerWaalsContact CE-CD2 3.41Å; M440-F596 HydrophobicContact CE-CE1 4.33Å; M440-F596 HydrophobicContact CE-CE2 3.75Å; M440-F596 HydrophobicContact CE-CG 3.54Å; M440-F596 HydrophobicContact CE-CZ 4.2Å; M440-F596 HydrophobicContact CG-CD1 3.84Å; M440-F596 HydrophobicContact CG-CE1 3.55Å; M440-F596 HydrophobicContact CG-CE2 4.32Å; M440-F596 HydrophobicContact CG-CG 4.35Å; M440-F596 HydrophobicContact CG-CZ 3.8Å; M440-F596 HydrophobicContact SD-CE2 4.35Å; M440-F596 HydrophobicContact SD-CZ 4.37Å; T442-F596 HydrophobicContact CG2-CB 4.07Å; T442-F596 HydrophobicContact CG2-CD1 4.31Å; Q445-F596 HydrophobicContact CB-CD1 4.12Å; Q445-F596 HydrophobicContact CB-CE1 4.24Å; Q445-F596 HydrophobicContact CG-CD1 3.9Å; Q445-F596 HydrophobicContact CG-CE1 4.17Å; C563-F596 WeakPolarHBondContact CA-O 3.23Å; I564-F596 HydrophobicContact CD1-CD2 4.39Å; I564-F596 HydrophobicContact CG1-CB 4.17Å; I564-F596 HydrophobicContact CG1-CD2 4.12Å; I564-F596 PolarHBondContact N-O 2.89Å; I564-F596 VanDerWaalsContact N-O 3.11Å; I564-F596 PolarHBondContact O-N 2.83Å; L566-F596 HydrophobicContact CB-CE2 3.84Å; L566-F596 HydrophobicContact CB-CZ 4.47Å; F594-F596 HydrophobicContact CB-CE1 4.21Å; F594-F596 HydrophobicContact CB-CE2 3.66Å; F594-F596 HydrophobicContact CB-CZ 3.44Å; F594-F596 VanDerWaalsContact CB-CZ 3.44Å; F594-F596 HydrophobicContact CD1-CZ 4.41Å; F594-F596 HydrophobicContact CG-CZ 4.08Å; F596-Y598 HydrophobicContact CB-CE2 3.84Å
597	V	93.5	Very high	88.5	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.9	-179.9	-172.6	0	0	0	0	109.1	L337 T442 H444 F446 L556 L561 F595	L337-V597 HydrophobicContact CD1-CG2 3.59Å; L337-V597 HydrophobicContact CD2-CG2 4.29Å; T442-V597 WeakPolarHBondContact CB-O 3.48Å; T442-V597 PolarHBondContact OG1-O 2.95Å; H444-V597 HydrophobicContact CB-CB 3.79Å; H444-V597 HydrophobicContact CB-CG2 4.45Å; H444-V597 PolarHBondContact O-N 3.22Å; F446-V597 HydrophobicContact CD2-CG2 4.26Å; F446-V597 HydrophobicContact CE2-CG2 3.81Å; L556-V597 HydrophobicContact CD2-CG1 3.78Å; L561-V597 HydrophobicContact CB-CG1 4.46Å; L561-V597 HydrophobicContact CD2-CG1 4.1Å; F595-V597 HydrophobicContact CD1-CG2 3.91Å; F595-V597 HydrophobicContact CE1-CG2 3.51Å
598	Y	92.2	Very high	88.5	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	137	179	-65.6	-88.3	0	0	0	109.2	M440 T442 F517 M522 L561 N562 I564 F596 Q602	M440-Y598 WeakPolarHBondContact CE-OH 3.43Å; M440-Y598 WeakPolarHBondContact O-CE1 3.39Å; M440-Y598 VanDerWaalsContact O-CZ 3.31Å; M440-Y598 PolarHBondContact O-OH 3.34Å; T442-Y598 HydrophobicContact CG2-CD1 4.48Å; T442-Y598 HydrophobicContact CG2-CE1 3.97Å; T442-Y598 HydrophobicContact CG2-CE2 4.4Å; F517-Y598 HydrophobicContact CE1-CE2 4.1Å; M522-Y598 HydrophobicContact CE-CD2 3.76Å; M522-Y598 HydrophobicContact CE-CE2 4.02Å; M522-Y598 HydrophobicContact CE-CG 4.05Å; M522-Y598 HydrophobicContact SD-CD1 4.5Å; M522-Y598 HydrophobicContact SD-CD2 3.96Å; M522-Y598 HydrophobicContact SD-CG 3.81Å; L561-Y598 WeakPolarHBondContact CA-O 3.31Å; N562-Y598 PolarHBondContact N-O 3.26Å; N562-Y598 PolarHBondContact O-N 2.78Å; I564-Y598 HydrophobicContact CG1-CE2 3.97Å; F596-Y598 HydrophobicContact CB-CE2 3.84Å; Y598-Q602 WeakPolarHBondContact CB-O 3.32Å; Y598-Q602 HydrophobicContact CD1-CB 3.91Å; Y598-Q602 VanDerWaalsContact CD1-O 3.25Å; Y598-Q602 WeakPolarHBondContact CD1-O 3.09Å
599	E	89.1	Confident	88.7	Confident	9 Å²	9	33.1 Å²	33.1	4%	0.042	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	141.8	177.9	-54.2	-169.4	81.5	0	0	109.9	H444 L556 Q557 S558 L561 G601 Q602	H444-E599 IonicContact CD2-OE2 3.52Å; H444-E599 PolarHBondContact CD2-OE2 2.93Å; H444-E599 IonicContact CE1-OE2 3.88Å; H444-E599 IonicContact NE2-OE2 2.68Å; H444-E599 PolarHBondContact NE2-OE2 3.46Å; L556-E599 HydrophobicContact CD2-CG 4.38Å; Q557-E599 WeakPolarHBondContact CA-OE1 3.35Å; Q557-E599 PolarHBondContact N-OE1 3.21Å; S558-E599 PolarHBondContact N-OE1 3.42Å; L561-E599 HydrophobicContact CD2-CB 4.46Å; L561-E599 HydrophobicContact CD2-CG 3.82Å; E599-G601 VanDerWaalsContact C-N 3.28Å; E599-G601 PolarHBondContact O-N 3.13Å; E599-G601 VanDerWaalsContact O-N 3.12Å; E599-Q602 WeakPolarHBondContact O-CB 3.49Å; E599-Q602 WeakPolarHBondContact O-CG 3.41Å; E599-Q602 PolarHBondContact O-N 3.44Å; E599-Q602 PolarHBondContact O-NE2 3.13Å
600	D	86	Confident	88.6	Confident	104 Å²	104	32.1 Å²	32.1	56%	0.556	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	42.1	167.1	-59	-41	0	0	0	114.7	S558 N560 Q602	S558-D600 VanDerWaalsContact CB-OD1 3.25Å; S558-D600 WeakPolarHBondContact CB-OD1 3.47Å; S558-D600 VanDerWaalsContact CB-OD2 3.29Å; S558-D600 WeakPolarHBondContact CB-OD2 3.49Å; S558-D600 VanDerWaalsContact OG-CG 3.3Å; S558-D600 PolarHBondContact OG-OD1 3.39Å; S558-D600 PolarHBondContact OG-OD2 2.64Å; N560-D600 PolarHBondContact O-N 2.99Å; N560-D600 VanDerWaalsContact O-N 3.07Å; D600-Q602 VanDerWaalsContact C-N 3.33Å; D600-Q602 PolarHBondContact O-N 3.42Å
601	G	79.3	Confident	88.7	Confident	26 Å²	26	35.4 Å²	35.4	27%	0.268	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	11.3	176.4	0	0	0	0	0	115.2	E599	E599-G601 VanDerWaalsContact C-N 3.28Å; E599-G601 PolarHBondContact O-N 3.13Å; E599-G601 VanDerWaalsContact O-N 3.12Å
602	Q	83.4	Confident	88.9	Confident	81 Å²	81	38.8 Å²	38.8	38%	0.379	22%	0.217	S	C	.	.			trans	-54.5	144.5	166	-72	171.5	38.3	0	0	110.7	Y598 E599 D600	Y598-Q602 WeakPolarHBondContact CB-O 3.32Å; Y598-Q602 HydrophobicContact CD1-CB 3.91Å; Y598-Q602 VanDerWaalsContact CD1-O 3.25Å; Y598-Q602 WeakPolarHBondContact CD1-O 3.09Å; E599-Q602 WeakPolarHBondContact O-CB 3.49Å; E599-Q602 WeakPolarHBondContact O-CG 3.41Å; E599-Q602 PolarHBondContact O-N 3.44Å; E599-Q602 PolarHBondContact O-NE2 3.13Å; D600-Q602 VanDerWaalsContact C-N 3.33Å; D600-Q602 PolarHBondContact O-N 3.42Å
603	V	83.6	Confident	89	Confident	78 Å²	78	42.9 Å²	42.9	47%	0.473	24%	0.244	S	C	.	.			trans	-142.4	146.6	178.7	64.7	0	0	0	0	110.1	F517 M522	F517-V603 HydrophobicContact CD1-CG2 4.46Å; F517-V603 HydrophobicContact CD2-CG2 3.43Å; F517-V603 VanDerWaalsContact CD2-CG2 3.43Å; F517-V603 HydrophobicContact CE2-CG2 3.58Å; F517-V603 HydrophobicContact CG-CG2 3.94Å; F517-V603 HydrophobicContact CZ-CG2 4.13Å; M522-V603 HydrophobicContact CE-CG2 4.14Å
604	G	82.7	Confident	89.1	Confident	6 Å²	6	48.9 Å²	48.9	6%	0.062	27%	0.271	C	S	.	.			trans	-78.6	-175.4	172.6	0	0	0	0	0	112.7	M440 A606	M440-G604 WeakPolarHBondContact O-CA 3.29Å; G604-A606 PolarHBondContact O-N 3.31Å
605	D	85.2	Confident	89.1	Confident	69 Å²	69	49.5 Å²	49.5	37%	0.369	27%	0.274	S	S	.	.			trans	-62.7	127.5	175.1	-74.3	-27.3	0	0	0	110.5	F439 H441 S513 N607 I608	F439-D605 WeakPolarHBondContact CA-OD2 3.01Å; F439-D605 WeakPolarHBondContact O-CB 3.43Å; F439-D605 PolarHBondContact O-N 3.32Å; H441-D605 IonicContact CD2-OD1 2.8Å; H441-D605 PolarHBondContact CD2-OD1 2.73Å; H441-D605 IonicContact CE1-OD1 3.89Å; H441-D605 IonicContact NE2-OD1 2.74Å; H441-D605 PolarHBondContact NE2-OD1 3.32Å; H441-D605 IonicContact NE2-OD2 2.99Å; H441-D605 PolarHBondContact NE2-OD2 3.03Å; S513-D605 PolarHBondContact OG-O 3.11Å; D605-N607 VanDerWaalsContact C-N 3.31Å; D605-N607 PolarHBondContact O-N 3.12Å; D605-I608 HydrophobicContact CB-CD1 3.73Å; D605-I608 HydrophobicContact CB-CG1 3.49Å; D605-I608 VanDerWaalsContact CB-CG1 3.49Å
606	A	81.9	Confident	89	Confident	48 Å²	48	53 Å²	53	40%	0.397	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-21.3	-176.4	0	0	0	0	0	114.1	S513 S514 G604	S513-A606 PolarHBondContact OG-O 3.23Å; S514-A606 WeakPolarHBondContact CB-O 3.19Å; S514-A606 PolarHBondContact OG-O 2.66Å; G604-A606 PolarHBondContact O-N 3.31Å
607	N	83.3	Confident	88.7	Confident	147 Å²	147	60 Å²	60	79%	0.786	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	14.7	-171.9	-64.6	-18.4	0	0	0	113.3	D605 N609	D605-N607 VanDerWaalsContact C-N 3.31Å; D605-N607 PolarHBondContact O-N 3.12Å; N607-N609 PolarHBondContact O-N 3.16Å
608	I	91.3	Very high	88.5	Confident	17 Å²	17	61.7 Å²	61.7	9%	0.087	33%	0.329	C	S	.	.			trans	-73.8	120.2	-179.9	-58.8	-58.7	0	0	0	109.5	F439 F472 I512 S513 D605 I615	F439-I608 HydrophobicContact CB-CD1 3.46Å; F439-I608 VanDerWaalsContact CB-CD1 3.46Å; F439-I608 HydrophobicContact CB-CG1 3.86Å; F439-I608 HydrophobicContact CD2-CB 4.39Å; F439-I608 HydrophobicContact CD2-CD1 4.2Å; F439-I608 HydrophobicContact CD2-CG1 3.89Å; F439-I608 HydrophobicContact CD2-CG2 3.8Å; F439-I608 HydrophobicContact CE2-CG2 3.92Å; F439-I608 HydrophobicContact CG-CD1 3.94Å; F439-I608 HydrophobicContact CG-CG1 4.14Å; F439-I608 HydrophobicContact CG-CG2 4.41Å; F472-I608 HydrophobicContact CE2-CG2 4.05Å; F472-I608 HydrophobicContact CZ-CG2 3.99Å; I512-I608 WeakPolarHBondContact CA-O 3.31Å; S513-I608 PolarHBondContact N-O 2.68Å; S513-I608 PolarHBondContact OG-N 3.43Å; D605-I608 HydrophobicContact CB-CD1 3.73Å; D605-I608 HydrophobicContact CB-CG1 3.49Å; D605-I608 VanDerWaalsContact CB-CG1 3.49Å; I608-I615 HydrophobicContact CD1-CD1 4.12Å; I608-I615 HydrophobicContact CG2-CD1 4.27Å; I608-I615 HydrophobicContact CG2-CG1 4.35Å; I608-I615 HydrophobicContact CG2-CG2 3.98Å
609	N	94.3	Very high	88.4	Confident	52 Å²	52	61.7 Å²	61.7	28%	0.278	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-112	118	175.4	-172	-15.8	0	0	0	109.3	P511 I512 N607 Q611 D612	P511-N609 CarbonylContact O-C 3.6Å; P511-N609 VanDerWaalsContact O-CA 3.32Å; P511-N609 WeakPolarHBondContact O-CA 3.3Å; I512-N609 HydrophobicContact CD1-CB 3.61Å; N607-N609 PolarHBondContact O-N 3.16Å; N609-Q611 PolarHBondContact O-N 3.12Å; N609-Q611 VanDerWaalsContact O-N 3.13Å; N609-Q611 WeakPolarHBondContact OD1-CB 3.22Å; N609-Q611 WeakPolarHBondContact OD1-CG 3.34Å; N609-Q611 PolarHBondContact OD1-N 2.78Å; N609-D612 WeakPolarHBondContact O-CB 3.49Å; N609-D612 PolarHBondContact O-N 3.39Å
610	T	94.3	Very high	88.2	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-15	177.5	59.2	0	0	0	0	113.7	F470 F472 P511 L566 I619	F470-T610 HydrophobicContact CB-CG2 4.23Å; F470-T610 VanDerWaalsContact O-CB 3.23Å; F470-T610 WeakPolarHBondContact O-CB 3.33Å; F470-T610 PolarHBondContact O-OG1 3.06Å; F472-T610 HydrophobicContact CD2-CG2 3.73Å; F472-T610 HydrophobicContact CE2-CG2 3.38Å; F472-T610 HydrophobicContact CZ-CG2 3.98Å; P511-T610 VanDerWaalsContact CA-OG1 3.3Å; P511-T610 WeakPolarHBondContact CA-OG1 3.35Å; P511-T610 WeakPolarHBondContact CB-OG1 3.37Å; P511-T610 PolarHBondContact O-N 3.28Å; P511-T610 PolarHBondContact O-OG1 3.34Å; L566-T610 HydrophobicContact CD1-CG2 3.62Å; T610-I619 HydrophobicContact CG2-CD1 4.48Å
611	Q	94.3	Very high	88.1	Confident	69 Å²	69	67.8 Å²	67.8	32%	0.322	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-7.2	176.1	-51	-51	-80.4	0	0	113.1	T469 F470 P511 W582 N609 P613	T469-Q611 PolarHBondContact OG1-NE2 2.85Å; T469-Q611 VanDerWaalsContact OG1-NE2 3.13Å; T469-Q611 PolarHBondContact OG1-OE1 3.11Å; F470-Q611 PolarHBondContact O-NE2 2.88Å; P511-Q611 HydrophobicContact CB-CG 3.8Å; W582-Q611 HydrophobicContact CH2-CG 4.22Å; W582-Q611 HydrophobicContact CZ2-CG 4.26Å; N609-Q611 PolarHBondContact O-N 3.12Å; N609-Q611 VanDerWaalsContact O-N 3.13Å; N609-Q611 WeakPolarHBondContact OD1-CB 3.22Å; N609-Q611 WeakPolarHBondContact OD1-CG 3.34Å; N609-Q611 PolarHBondContact OD1-N 2.78Å; Q611-P613 WeakPolarHBondContact O-CD 3.29Å
612	D	94.2	Very high	88.1	Confident	71 Å²	71	67 Å²	67	38%	0.38	34%	0.338	S	S	.	.	S	Bend	trans	-67.9	123.5	169.5	177.7	-8.7	0	0	0	109.1	N609 K614 I615 Q616	N609-D612 WeakPolarHBondContact O-CB 3.49Å; N609-D612 PolarHBondContact O-N 3.39Å; D612-K614 PolarHBondContact O-N 3.21Å; D612-K614 VanDerWaalsContact O-N 3.09Å; D612-K614 WeakPolarHBondContact OD1-CB 3.23Å; D612-K614 PolarHBondContact OD1-N 3.13Å; D612-I615 HydrophobicContact CB-CB 4.2Å; D612-I615 HydrophobicContact CB-CG1 3.93Å; D612-I615 PolarHBondContact O-N 2.93Å; D612-Q616 PolarHBondContact O-N 3.48Å
613	P	91.9	Very high	87.8	Confident	98 Å²	98	64.7 Å²	64.7	64%	0.636	33%	0.329	S	S	*	.	H	α-helix	trans	-52.1	-32.8	177.3	-27.5	35	0	0	0	114	Q611 K617	Q611-P613 WeakPolarHBondContact O-CD 3.29Å; P613-K617 VanDerWaalsContact O-CB 3.25Å; P613-K617 WeakPolarHBondContact O-CB 3.46Å; P613-K617 PolarHBondContact O-N 3.14Å
614	K	91.8	Very high	86.8	Confident	151 Å²	151	61.6 Å²	61.6	66%	0.657	31%	0.313	S	S	*	.	H	α-helix	trans	-66.5	-46.8	177.5	-175.2	-178.3	176.4	-175.4	0	111.3	D612 K617 E618	D612-K614 PolarHBondContact O-N 3.21Å; D612-K614 VanDerWaalsContact O-N 3.09Å; D612-K614 WeakPolarHBondContact OD1-CB 3.23Å; D612-K614 PolarHBondContact OD1-N 3.13Å; K614-K617 PolarHBondContact O-N 3.29Å; K614-E618 PolarHBondContact O-N 3.44Å
615	I	91.9	Very high	85.5	Confident	13 Å²	13	63.9 Å²	63.9	7%	0.067	33%	0.325	C	S	.	.	H	α-helix	trans	-66.6	-44.4	178.5	-61	-60.4	0	0	0	110.1	F439 I608 D612 K617 E618 I619	F439-I615 HydrophobicContact CD1-CD1 3.99Å; F439-I615 HydrophobicContact CE1-CD1 4.14Å; F439-I615 HydrophobicContact CE1-CG2 4.37Å; F439-I615 HydrophobicContact CG-CD1 4.48Å; F439-I615 HydrophobicContact CZ-CG2 4.16Å; I608-I615 HydrophobicContact CD1-CD1 4.12Å; I608-I615 HydrophobicContact CG2-CD1 4.27Å; I608-I615 HydrophobicContact CG2-CG1 4.35Å; I608-I615 HydrophobicContact CG2-CG2 3.98Å; D612-I615 HydrophobicContact CB-CB 4.2Å; D612-I615 HydrophobicContact CB-CG1 3.93Å; D612-I615 PolarHBondContact O-N 2.93Å; I615-K617 VanDerWaalsContact C-N 3.34Å; I615-K617 PolarHBondContact O-N 2.82Å; I615-E618 WeakPolarHBondContact O-CB 3.29Å; I615-E618 PolarHBondContact O-N 3.28Å; I615-E618 VanDerWaalsContact O-N 3.12Å; I615-I619 HydrophobicContact CG2-CD1 3.78Å; I615-I619 HydrophobicContact CG2-CG1 4.38Å; I615-I619 VanDerWaalsContact O-CG1 3.31Å; I615-I619 WeakPolarHBondContact O-CG1 3.39Å; I615-I619 PolarHBondContact O-N 2.85Å
616	Q	90.3	Very high	83.7	Confident	73 Å²	73	62.4 Å²	62.4	34%	0.341	32%	0.316	S	S	.	.	H	α-helix	trans	-60.4	-43.1	177	-169.6	178.6	4.8	0	0	111.8	D612 E618 I619 M620	D612-Q616 PolarHBondContact O-N 3.48Å; Q616-E618 VanDerWaalsContact C-N 3.3Å; Q616-E618 PolarHBondContact O-N 2.86Å; Q616-I619 PolarHBondContact O-N 3.24Å; Q616-M620 HydrophobicContact CG-CG 4.46Å; Q616-M620 WeakPolarHBondContact O-CB 3.4Å; Q616-M620 VanDerWaalsContact O-CG 3.27Å; Q616-M620 WeakPolarHBondContact O-CG 3.35Å; Q616-M620 PolarHBondContact O-N 3.13Å
617	K	88.3	Confident	81.6	Confident	147 Å²	147	63.5 Å²	63.5	64%	0.639	32%	0.318	S	S	*	.	H	α-helix	trans	-63.8	-34.7	175.6	-171.9	174	-175.9	175	0	112	P613 K614 I615 R621	P613-K617 VanDerWaalsContact O-CB 3.25Å; P613-K617 WeakPolarHBondContact O-CB 3.46Å; P613-K617 PolarHBondContact O-N 3.14Å; K614-K617 PolarHBondContact O-N 3.29Å; I615-K617 VanDerWaalsContact C-N 3.34Å; I615-K617 PolarHBondContact O-N 2.82Å; K617-R621 WeakPolarHBondContact O-CB 3.42Å; K617-R621 PolarHBondContact O-N 3.2Å
618	E	89.4	Confident	79	Confident	37 Å²	37	66 Å²	66	17%	0.173	32%	0.318	C	S	.	.	H	α-helix	trans	-69.1	-47.2	175.4	-165.6	173.7	157.7	0	0	111.5	L437 F439 K614 I615 Q616 M620 R621 V622	L437-E618 HydrophobicContact CD2-CG 4.01Å; F439-E618 HydrophobicContact CE1-CG 4.31Å; K614-E618 PolarHBondContact O-N 3.44Å; I615-E618 WeakPolarHBondContact O-CB 3.29Å; I615-E618 PolarHBondContact O-N 3.28Å; I615-E618 VanDerWaalsContact O-N 3.12Å; Q616-E618 VanDerWaalsContact C-N 3.3Å; Q616-E618 PolarHBondContact O-N 2.86Å; E618-M620 PolarHBondContact O-N 2.95Å; E618-R621 WeakPolarHBondContact O-CB 3.46Å; E618-R621 PolarHBondContact O-N 3.15Å; E618-R621 VanDerWaalsContact O-N 3.16Å; E618-V622 WeakPolarHBondContact O-CG2 3.43Å; E618-V622 PolarHBondContact O-N 3.04Å
619	I	89.3	Confident	76.3	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-56.6	-52.1	174.8	-65.8	162.6	0	0	0	110.3	L437 F439 F470 L566 F594 T610 I615 Q616 R621 V622 I623	L437-I619 HydrophobicContact CD2-CG1 4.42Å; F439-I619 HydrophobicContact CZ-CG1 4.43Å; F470-I619 HydrophobicContact CB-CD1 4.3Å; F470-I619 HydrophobicContact CD1-CG2 3.95Å; F470-I619 HydrophobicContact CD2-CD1 4.44Å; F470-I619 HydrophobicContact CD2-CG2 3.92Å; F470-I619 HydrophobicContact CE1-CG2 3.78Å; F470-I619 HydrophobicContact CE2-CG2 3.75Å; F470-I619 HydrophobicContact CG-CD1 4.35Å; F470-I619 HydrophobicContact CG-CG2 4.02Å; F470-I619 HydrophobicContact CZ-CG2 3.69Å; L566-I619 HydrophobicContact CD1-CD1 4.45Å; L566-I619 HydrophobicContact CD2-CD1 3.65Å; L566-I619 HydrophobicContact CD2-CG1 3.75Å; L566-I619 HydrophobicContact CD2-CG2 4.01Å; F594-I619 HydrophobicContact CE2-CG2 3.84Å; F594-I619 HydrophobicContact CZ-CG2 4.47Å; T610-I619 HydrophobicContact CG2-CD1 4.48Å; I615-I619 HydrophobicContact CG2-CD1 3.78Å; I615-I619 HydrophobicContact CG2-CG1 4.38Å; I615-I619 VanDerWaalsContact O-CG1 3.31Å; I615-I619 WeakPolarHBondContact O-CG1 3.39Å; I615-I619 PolarHBondContact O-N 2.85Å; Q616-I619 PolarHBondContact O-N 3.24Å; I619-R621 VanDerWaalsContact C-N 3.26Å; I619-R621 PolarHBondContact O-N 2.95Å; I619-V622 PolarHBondContact O-N 3.15Å; I619-V622 VanDerWaalsContact O-N 3.09Å; I619-I623 HydrophobicContact CG2-CD1 4.02Å; I619-I623 WeakPolarHBondContact O-CG1 2.98Å; I619-I623 PolarHBondContact O-N 3.14Å
620	M	86.3	Confident	73.4	Confident	91 Å²	91	70.2 Å²	70.2	45%	0.448	34%	0.343	S	S	.	.	H	α-helix	trans	-64.4	-30.4	179.3	-71.3	-60.9	-67.5	0	0	112.5	F470 Q616 E618 G624	F470-M620 HydrophobicContact CE2-CG 4.14Å; F470-M620 HydrophobicContact CE2-SD 3.6Å; F470-M620 HydrophobicContact CZ-SD 3.74Å; Q616-M620 HydrophobicContact CG-CG 4.46Å; Q616-M620 WeakPolarHBondContact O-CB 3.4Å; Q616-M620 VanDerWaalsContact O-CG 3.27Å; Q616-M620 WeakPolarHBondContact O-CG 3.35Å; Q616-M620 PolarHBondContact O-N 3.13Å; E618-M620 PolarHBondContact O-N 2.95Å; M620-G624 VanDerWaalsContact O-CA 3.25Å; M620-G624 WeakPolarHBondContact O-CA 3.2Å; M620-G624 PolarHBondContact O-N 2.82Å
621	R	83.8	Confident	72.3	Confident	150 Å²	150	73.7 Å²	73.7	57%	0.566	36%	0.36	S	S	*	.	H	α-helix	trans	-68	-39.8	172.3	-173.6	-166.3	-52.3	166.7	5.8	111.2	K617 E618 I619 T625	K617-R621 WeakPolarHBondContact O-CB 3.42Å; K617-R621 PolarHBondContact O-N 3.2Å; E618-R621 WeakPolarHBondContact O-CB 3.46Å; E618-R621 PolarHBondContact O-N 3.15Å; E618-R621 VanDerWaalsContact O-N 3.16Å; I619-R621 VanDerWaalsContact C-N 3.26Å; I619-R621 PolarHBondContact O-N 2.95Å; R621-T625 HydrophobicContact CG-CG2 4.28Å; R621-T625 VanDerWaalsContact O-CB 3.3Å; R621-T625 WeakPolarHBondContact O-CB 3.42Å; R621-T625 VanDerWaalsContact O-CG2 3.31Å; R621-T625 WeakPolarHBondContact O-CG2 3.46Å; R621-T625 PolarHBondContact O-N 2.73Å; R621-T625 PolarHBondContact O-OG1 3.01Å
622	V	79.4	Confident	71.2	Confident	8 Å²	8	73.9 Å²	73.9	5%	0.048	36%	0.362	C	S	.	.	H	α-helix	trans	-71.4	-41.9	179.2	-178.6	0	0	0	0	111.1	L432 R436 L437 F594 E618 I619 T625 Q626	L432-V622 HydrophobicContact CD1-CG1 4.21Å; R436-V622 HydrophobicContact CB-CG1 4.15Å; R436-V622 HydrophobicContact CB-CG2 3.94Å; L437-V622 HydrophobicContact CD2-CB 4.42Å; L437-V622 HydrophobicContact CD2-CG2 3.73Å; L437-V622 HydrophobicContact CG-CG2 4.29Å; F594-V622 HydrophobicContact CE1-CB 4.19Å; F594-V622 HydrophobicContact CE1-CG1 3.63Å; F594-V622 HydrophobicContact CZ-CB 4.09Å; F594-V622 HydrophobicContact CZ-CG1 3.99Å; E618-V622 WeakPolarHBondContact O-CG2 3.43Å; E618-V622 PolarHBondContact O-N 3.04Å; I619-V622 PolarHBondContact O-N 3.15Å; I619-V622 VanDerWaalsContact O-N 3.09Å; V622-T625 PolarHBondContact O-OG1 3.45Å; V622-Q626 PolarHBondContact O-N 3.01Å
623	I	76.2	Confident	69.9	Low	34 Å²	34	74.1 Å²	74.1	17%	0.174	36%	0.361	C	S	.	.	H	α-helix	trans	-62.6	-50.4	171.6	-62.1	175.1	0	0	0	109.7	F470 F594 I619 Q626 V627	F470-I623 HydrophobicContact CE1-CD1 3.65Å; F470-I623 HydrophobicContact CZ-CD1 3.49Å; F470-I623 VanDerWaalsContact CZ-CD1 3.49Å; F594-I623 HydrophobicContact CE2-CD1 3.9Å; F594-I623 HydrophobicContact CE2-CG1 3.67Å; F594-I623 HydrophobicContact CZ-CD1 4.36Å; F594-I623 HydrophobicContact CZ-CG1 3.62Å; I619-I623 HydrophobicContact CG2-CD1 4.02Å; I619-I623 WeakPolarHBondContact O-CG1 2.98Å; I619-I623 PolarHBondContact O-N 3.14Å; I623-Q626 CarbonylContact O-C 3.47Å; I623-Q626 WeakPolarHBondContact O-CA 3.33Å; I623-Q626 PolarHBondContact O-N 3.22Å; I623-Q626 VanDerWaalsContact O-N 3.09Å; I623-V627 HydrophobicContact CG2-CG2 4.17Å; I623-V627 VanDerWaalsContact O-CG2 3.29Å; I623-V627 WeakPolarHBondContact O-CG2 3.4Å; I623-V627 PolarHBondContact O-N 3.43Å
624	G	63.1	Low	68.6	Low	13 Å²	13	72.7 Å²	72.7	13%	0.134	35%	0.345	C	S	.	.	H	α-helix	trans	-68	-33.5	-175.5	0	0	0	0	0	113.7	M620 Q626 V627 Y628	M620-G624 VanDerWaalsContact O-CA 3.25Å; M620-G624 WeakPolarHBondContact O-CA 3.2Å; M620-G624 PolarHBondContact O-N 2.82Å; G624-Q626 VanDerWaalsContact C-N 3.29Å; G624-Q626 PolarHBondContact O-N 2.84Å; G624-V627 CarbonylContact O-C 3.59Å; G624-V627 PolarHBondContact O-N 3.19Å; G624-Y628 WeakPolarHBondContact O-CA 3.27Å; G624-Y628 VanDerWaalsContact O-CB 3.28Å; G624-Y628 WeakPolarHBondContact O-CB 3.38Å; G624-Y628 VanDerWaalsContact O-CD2 3.23Å; G624-Y628 WeakPolarHBondContact O-CD2 3.36Å; G624-Y628 PolarHBondContact O-N 3.32Å
625	T	55.5	Low	67.1	Low	54 Å²	54	67.8 Å²	67.8	33%	0.331	33%	0.326	S	S	.	.	H	α-helix	trans	-63.5	-41.5	169.7	41.9	0	0	0	0	109.3	R621 V622 V627 T629	R621-T625 HydrophobicContact CG-CG2 4.28Å; R621-T625 VanDerWaalsContact O-CB 3.3Å; R621-T625 WeakPolarHBondContact O-CB 3.42Å; R621-T625 VanDerWaalsContact O-CG2 3.31Å; R621-T625 WeakPolarHBondContact O-CG2 3.46Å; R621-T625 PolarHBondContact O-N 2.73Å; R621-T625 PolarHBondContact O-OG1 3.01Å; V622-T625 PolarHBondContact O-OG1 3.45Å; T625-V627 PolarHBondContact O-N 3.06Å; T625-V627 VanDerWaalsContact O-N 3.15Å; T625-T629 CarbonylContact O-C 3.54Å; T625-T629 VanDerWaalsContact O-CA 3.26Å; T625-T629 WeakPolarHBondContact O-CA 3.43Å; T625-T629 VanDerWaalsContact O-CB 3.26Å; T625-T629 WeakPolarHBondContact O-CB 3.44Å; T625-T629 PolarHBondContact O-N 3.43Å; T625-T629 PolarHBondContact O-OG1 3.12Å
626	Q	47.5	Very low	65.5	Low	37 Å²	37	71.5 Å²	71.5	17%	0.173	34%	0.343	C	S	.	.	H	α-helix	trans	-78.8	18.9	168.2	-61.8	-148.2	24.7	0	0	115.2	L432 L447 V622 I623 G624 N630	L432-Q626 VanDerWaalsContact CD2-NE2 3.31Å; L447-Q626 HydrophobicContact CD2-CB 4.01Å; L447-Q626 HydrophobicContact CD2-CG 3.99Å; V622-Q626 PolarHBondContact O-N 3.01Å; I623-Q626 CarbonylContact O-C 3.47Å; I623-Q626 WeakPolarHBondContact O-CA 3.33Å; I623-Q626 PolarHBondContact O-N 3.22Å; I623-Q626 VanDerWaalsContact O-N 3.09Å; G624-Q626 VanDerWaalsContact C-N 3.29Å; G624-Q626 PolarHBondContact O-N 2.84Å; Q626-N630 VanDerWaalsContact C-CG 3.44Å; Q626-N630 VanDerWaalsContact C-OD1 3.26Å; Q626-N630 PolarHBondContact O-ND2 3.11Å; Q626-N630 PolarHBondContact O-OD1 3.09Å
627	V	37.9	Very low	63.7	Low	71 Å²	71	71.4 Å²	71.4	43%	0.43	34%	0.343	S	S	.	.	H	α-helix	trans	-132.4	-18.9	172	176.7	0	0	0	0	112.1	I623 G624 T625 N630	I623-V627 HydrophobicContact CG2-CG2 4.17Å; I623-V627 VanDerWaalsContact O-CG2 3.29Å; I623-V627 WeakPolarHBondContact O-CG2 3.4Å; I623-V627 PolarHBondContact O-N 3.43Å; G624-V627 CarbonylContact O-C 3.59Å; G624-V627 PolarHBondContact O-N 3.19Å; T625-V627 PolarHBondContact O-N 3.06Å; T625-V627 VanDerWaalsContact O-N 3.15Å; V627-N630 VanDerWaalsContact C-N 3.27Å; V627-N630 VanDerWaalsContact O-CB 3.32Å; V627-N630 WeakPolarHBondContact O-CB 3.26Å
628	Y	28.9	Very low	61.8	Low	201 Å²	201	65.5 Å²	65.5	79%	0.788	32%	0.32	S	S	*	.	H	α-helix	trans	-123.7	-15.8	-179.2	-65.2	-73	0	0	0	113.5	G624 N630	G624-Y628 WeakPolarHBondContact O-CA 3.27Å; G624-Y628 VanDerWaalsContact O-CB 3.28Å; G624-Y628 WeakPolarHBondContact O-CB 3.38Å; G624-Y628 VanDerWaalsContact O-CD2 3.23Å; G624-Y628 WeakPolarHBondContact O-CD2 3.36Å; G624-Y628 PolarHBondContact O-N 3.32Å; Y628-N630 CarbonylContact C-O 3.35Å; Y628-N630 VanDerWaalsContact N-N 3.13Å
629	T	33.6	Very low	59.5	Low	82 Å²	82	67.9 Å²	67.9	50%	0.503	33%	0.333	S	S	.	.			trans	-88.9	32.4	135	83	0	0	0	0	108.1	F313 T625	F313-T629 VanDerWaalsContact CD2-C 3.41Å; F313-T629 WeakPolarHBondContact CD2-O 3.39Å; F313-T629 VanDerWaalsContact CE2-O 3.23Å; F313-T629 WeakPolarHBondContact CE2-O 3.38Å; T625-T629 CarbonylContact O-C 3.54Å; T625-T629 VanDerWaalsContact O-CA 3.26Å; T625-T629 WeakPolarHBondContact O-CA 3.43Å; T625-T629 VanDerWaalsContact O-CB 3.26Å; T625-T629 WeakPolarHBondContact O-CB 3.44Å; T625-T629 PolarHBondContact O-N 3.43Å; T625-T629 PolarHBondContact O-OG1 3.12Å
630	N	33.2	Very low	56.8	Low	74 Å²	74	74.1 Å²	74.1	40%	0.396	36%	0.363	S	S	.	.			trans	-112.6	0	148.4	-63.1	-6.3	0	0	0	109.9	T317 Q626 V627 Y628	T317-N630 WeakPolarHBondContact CA-OXT 3.38Å; T317-N630 VanDerWaalsContact CB-C 3.44Å; T317-N630 WeakPolarHBondContact CB-OXT 3.41Å; T317-N630 WeakPolarHBondContact CG2-O 3.04Å; T317-N630 WeakPolarHBondContact CG2-OXT 3.48Å; T317-N630 WeakPolarHBondContact OG1-CA 3.46Å; T317-N630 PolarHBondContact OG1-OXT 2.89Å; Q626-N630 VanDerWaalsContact C-CG 3.44Å; Q626-N630 VanDerWaalsContact C-OD1 3.26Å; Q626-N630 PolarHBondContact O-ND2 3.11Å; Q626-N630 PolarHBondContact O-OD1 3.09Å; V627-N630 VanDerWaalsContact C-N 3.27Å; V627-N630 VanDerWaalsContact O-CB 3.32Å; V627-N630 WeakPolarHBondContact O-CB 3.26Å; Y628-N630 CarbonylContact C-O 3.35Å; Y628-N630 VanDerWaalsContact N-N 3.13Å

Retrieved 630 of 630 residues in 110.5 ms (Link to these results)

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