A0A060VZ06_ONCMY Loading...

Kelch-like family member 26

AlphaFold DB , UniProt , Accession A0A060VZ06, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene klhl26, Length 604 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	41.5	Very low	31.9	Very low	246 Å²	246	139.2 Å²	139.2	100%	1.212	86%	0.863	S	S	*	*				0	139.7	0	-88.2	179	169.1	0	0	107.4
2	A	31.3	Very low	32.1	Very low	95 Å²	95	141.5 Å²	141.5	79%	0.785	87%	0.865	S	S	*	*			trans	83.2	91.2	-160.5	0	0	0	0	0	111.7
3	E	30.2	Very low	32.5	Very low	195 Å²	195	149.3 Å²	149.3	91%	0.911	87%	0.869	S	S	*	*				67.5	102.8	66.6	-70.3	-174.7	161.4	0	0	113.7
4	S	32.1	Very low	33.1	Very low	99 Å²	99	147.6 Å²	147.6	69%	0.692	87%	0.865	S	S	*	*			trans	-61.2	137.6	148.6	48.5	0	0	0	0	110.7
5	D	33.1	Very low	33.4	Very low	165 Å²	165	150.6 Å²	150.6	88%	0.882	87%	0.868	S	S	*	*				173	129.8	116.2	-93.1	-11.9	0	0	0	110.2
6	G	27.6	Very low	33.8	Very low	84 Å²	84	151.1 Å²	151.1	87%	0.866	87%	0.867	S	S	*	*			trans	-130.7	106.9	172.7	0	0	0	0	0	108.8
7	G	28.9	Very low	33.8	Very low	75 Å²	75	149.5 Å²	149.5	77%	0.773	87%	0.866	S	S	*	*			trans	132.9	90.1	152	0	0	0	0	0	113.8
8	D	29.3	Very low	34.2	Very low	158 Å²	158	151.1 Å²	151.1	85%	0.845	87%	0.867	S	S	*	*			trans	-144.2	150.3	144.8	-127.8	-15.5	0	0	0	114.1
9	F	32.2	Very low	34.6	Very low	194 Å²	194	147.9 Å²	147.9	85%	0.851	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-65.5	143.2	-155.1	-86.5	-110	0	0	0	116.1	S11	F9-S11 PolarHBondContact O-N 3.46Å
10	A	32.1	Very low	35	Very low	104 Å²	104	149.1 Å²	149.1	86%	0.86	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-60.7	127.6	168.9	0	0	0	0	0	112.2
11	S	32.6	Very low	35.8	Very low	116 Å²	116	151.2 Å²	151.2	81%	0.811	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-92.7	119	174.8	48.4	0	0	0	0	110.9	F9	F9-S11 PolarHBondContact O-N 3.46Å
12	N	34	Very low	36.3	Very low	167 Å²	167	147.3 Å²	147.3	89%	0.893	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-96.4	123.1	168.4	-110.7	-11.6	0	0	0	109.4
13	R	37.7	Very low	37.5	Very low	243 Å²	243	148.3 Å²	148.3	92%	0.917	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-82.4	147.4	171.5	-76.3	-177.2	177	-176.1	-0.5	111.3
14	P	40.5	Very low	38.9	Very low	126 Å²	126	143.3 Å²	143.3	82%	0.818	83%	0.834	S	S	*	*			trans	-117.7	144.7	149	23.4	-6.3	0	0	0	112.7
15	Q	38.2	Very low	40.2	Very low	192 Å²	192	147.4 Å²	147.4	90%	0.897	85%	0.848	S	S	*	*			trans	-84.3	139.5	174.3	-81.8	177.7	-26.7	0	0	112.3
16	N	38.7	Very low	41.7	Very low	159 Å²	159	150.3 Å²	150.3	85%	0.85	85%	0.846	S	S	*	*			trans	31.6	122.9	149.9	-81.2	-5.6	0	0	0	121.6
17	S	34.7	Very low	44	Very low	123 Å²	123	150.5 Å²	150.5	86%	0.86	83%	0.833	S	S	*	*				-164.4	125.3	120.7	179.5	0	0	0	0	110.4
18	M	40.9	Very low	46.5	Very low	179 Å²	179	153.5 Å²	153.5	88%	0.882	84%	0.837	S	S	*	*			trans	-84.5	149.9	177.5	-79.3	-179.3	-177.1	0	0	111.7
19	A	41	Very low	49.2	Very low	91 Å²	91	154.7 Å²	154.7	75%	0.752	84%	0.835	S	S	*	*			trans	88.5	86.9	157.5	0	0	0	0	0	118.3
20	N	42.8	Very low	51.8	Low	170 Å²	170	150.7 Å²	150.7	91%	0.909	83%	0.831	S	S	*	*				-162	143	109.8	-102	-26.2	0	0	0	112.1
21	K	52.2	Low	54.6	Low	194 Å²	194	148.9 Å²	148.9	84%	0.843	82%	0.816	S	S	*	*			trans	-74.2	151.9	-158.1	-71.4	167.1	171.2	173	0	115
22	N	51.1	Low	57.2	Low	165 Å²	165	148.7 Å²	148.7	88%	0.882	81%	0.812	S	S	*	*			trans	87.8	59.8	160.7	-66.7	0.1	0	0	0	119.4
23	S	57.6	Low	59.9	Low	116 Å²	116	144.5 Å²	144.5	81%	0.811	80%	0.796	S	S	*	*	S	Bend	trans	-117.4	115.6	141.5	61.5	0	0	0	0	108.2	L25	S23-L25 PolarHBondContact O-N 3.34Å
24	S	58.6	Low	62.5	Low	89 Å²	89	138.5 Å²	138.5	62%	0.622	78%	0.778	S	S	*	*			trans	-35.6	118.9	-172.2	54	0	0	0	0	115.2	R26	S24-R26 VanDerWaalsContact C-N 3.33Å; S24-R26 PolarHBondContact O-N 3.01Å
25	L	59.7	Low	64.9	Low	186 Å²	186	136.2 Å²	136.2	97%	0.974	77%	0.765	S	S	*	*			trans	-57.9	97	158.5	-91.2	137	0	0	0	108	S23	S23-L25 PolarHBondContact O-N 3.34Å
26	R	64.4	Low	67.4	Low	225 Å²	225	130.9 Å²	130.9	85%	0.849	75%	0.745	S	S	*	*			trans	-100.9	112	169.3	-81.2	-176.1	174.9	170.5	-1.2	107.8	S24	S24-R26 VanDerWaalsContact C-N 3.33Å; S24-R26 PolarHBondContact O-N 3.01Å
27	C	76.5	Confident	70	Confident	88 Å²	88	127.3 Å²	127.3	60%	0.595	73%	0.729	S	S	*	*			trans	-115.1	127.2	169	-167.2	0	0	0	0	107.6	F29	C27-F29 HydrophobicContact CB-CE2 3.88Å; C27-F29 HydrophobicContact CB-CZ 4.19Å; C27-F29 VanDerWaalsContact SG-CZ 3.52Å
28	T	81.7	Confident	72.8	Confident	138 Å²	138	125.9 Å²	125.9	85%	0.847	71%	0.712	S	S	*	*			trans	-102.6	120.5	175.8	-54.4	0	0	0	0	108.1
29	F	86.4	Confident	75.3	Confident	184 Å²	184	119.5 Å²	119.5	81%	0.807	68%	0.681	S	S	*	*			trans	-102.2	137.5	174.4	-60.9	-88.7	0	0	0	109.1	C27	C27-F29 HydrophobicContact CB-CE2 3.88Å; C27-F29 HydrophobicContact CB-CZ 4.19Å; C27-F29 VanDerWaalsContact SG-CZ 3.52Å
30	S	86.5	Confident	77.8	Confident	110 Å²	110	120.8 Å²	120.8	77%	0.769	67%	0.671	S	S	*	*			trans	-114.5	136.2	174.5	-176.7	0	0	0	0	109.5	P32	S30-P32 WeakPolarHBondContact O-CD 3.28Å
31	A	90.4	Very high	80.2	Confident	66 Å²	66	114.3 Å²	114.3	55%	0.545	65%	0.645	S	S	.	*			trans	-115.2	92.8	177.3	0	0	0	0	0	109.4	S33 H34	A31-S33 VanDerWaalsContact C-N 3.26Å; A31-S33 PolarHBondContact O-N 3.16Å; A31-H34 HydrophobicContact CB-CB 4.2Å; A31-H34 VanDerWaalsContact O-CB 3.31Å; A31-H34 WeakPolarHBondContact O-CB 3.36Å; A31-H34 PolarHBondContact O-N 2.91Å; A31-H34 VanDerWaalsContact O-N 3.11Å
32	P	87.8	Confident	82.3	Confident	111 Å²	111	107.3 Å²	107.3	72%	0.721	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-28.4	-171.1	-24.8	34.3	0	0	0	114.7	S30 H34	S30-P32 WeakPolarHBondContact O-CD 3.28Å; P32-H34 VanDerWaalsContact C-N 3.33Å
33	S	90.2	Very high	84.3	Confident	80 Å²	80	101.7 Å²	101.7	56%	0.559	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-9.8	180	53.7	0	0	0	0	114.3	A31 S35 T36 T37	A31-S33 VanDerWaalsContact C-N 3.26Å; A31-S33 PolarHBondContact O-N 3.16Å; S33-S35 VanDerWaalsContact C-N 3.34Å; S33-S35 PolarHBondContact O-N 3.35Å; S33-T36 PolarHBondContact O-N 2.91Å; S33-T37 PolarHBondContact O-N 2.84Å; S33-T37 VanDerWaalsContact O-N 3.14Å; S33-T37 PolarHBondContact O-OG1 3.29Å
34	H	92.7	Very high	86.1	Confident	117 Å²	117	99.9 Å²	99.9	54%	0.542	57%	0.574	S	S	.	*	H	α-helix	trans	-62.3	-39.5	-173.4	179.9	55.3	0	0	0	112.7	A31 P32 T37 L38	A31-H34 HydrophobicContact CB-CB 4.2Å; A31-H34 VanDerWaalsContact O-CB 3.31Å; A31-H34 WeakPolarHBondContact O-CB 3.36Å; A31-H34 PolarHBondContact O-N 2.91Å; A31-H34 VanDerWaalsContact O-N 3.11Å; P32-H34 VanDerWaalsContact C-N 3.33Å; H34-T37 PolarHBondContact O-N 3.2Å; H34-L38 VanDerWaalsContact O-CB 3.3Å; H34-L38 WeakPolarHBondContact O-CB 3.38Å; H34-L38 PolarHBondContact O-N 3.23Å
35	S	90.1	Very high	87.8	Confident	78 Å²	78	97.9 Å²	97.9	55%	0.545	56%	0.556	S	S	.	*	H	α-helix	trans	-61.8	-44.2	179.3	50.5	0	0	0	0	112.3	S33 L38 L39	S33-S35 VanDerWaalsContact C-N 3.34Å; S33-S35 PolarHBondContact O-N 3.35Å; S35-L38 PolarHBondContact O-N 2.87Å; S35-L39 WeakPolarHBondContact O-CB 3.39Å; S35-L39 PolarHBondContact O-N 3.45Å
36	T	91	Very high	89.5	Confident	79 Å²	79	91.4 Å²	91.4	49%	0.485	52%	0.519	S	S	.	.	H	α-helix	trans	-65.2	-45.2	177.4	-48.3	0	0	0	0	111.4	S33 L38 L39 Q40	S33-T36 PolarHBondContact O-N 2.91Å; T36-L38 VanDerWaalsContact C-N 3.33Å; T36-L38 PolarHBondContact O-N 2.84Å; T36-L39 PolarHBondContact O-N 3.25Å; T36-Q40 WeakPolarHBondContact O-CG 3.26Å; T36-Q40 PolarHBondContact O-N 2.84Å
37	T	92.8	Very high	90.8	Very high	84 Å²	84	85 Å²	85	52%	0.515	51%	0.514	S	S	.	.	H	α-helix	trans	-63.7	-39.2	177.3	-54.5	0	0	0	0	111.9	S33 H34 G41	S33-T37 PolarHBondContact O-N 2.84Å; S33-T37 VanDerWaalsContact O-N 3.14Å; S33-T37 PolarHBondContact O-OG1 3.29Å; H34-T37 PolarHBondContact O-N 3.2Å; T37-G41 PolarHBondContact O-N 2.62Å
38	L	94	Very high	91.7	Very high	94 Å²	94	86.4 Å²	86.4	49%	0.492	51%	0.512	S	S	.	.	H	α-helix	trans	-62.7	-47.3	175.8	177.6	64.6	0	0	0	111.4	H34 S35 T36 G41 L42	H34-L38 VanDerWaalsContact O-CB 3.3Å; H34-L38 WeakPolarHBondContact O-CB 3.38Å; H34-L38 PolarHBondContact O-N 3.23Å; S35-L38 PolarHBondContact O-N 2.87Å; T36-L38 VanDerWaalsContact C-N 3.33Å; T36-L38 PolarHBondContact O-N 2.84Å; L38-G41 PolarHBondContact O-N 2.94Å; L38-L42 HydrophobicContact CG-CD1 4.21Å; L38-L42 WeakPolarHBondContact O-CG 3.28Å; L38-L42 PolarHBondContact O-N 2.99Å
39	L	94.2	Very high	92.1	Very high	44 Å²	44	82 Å²	82	23%	0.23	49%	0.494	C	S	.	.	H	α-helix	trans	-62.9	-43.4	180	-172.6	63	0	0	0	111.8	S35 T36 G41 L42 S43 A110 Y111 A113	S35-L39 WeakPolarHBondContact O-CB 3.39Å; S35-L39 PolarHBondContact O-N 3.45Å; T36-L39 PolarHBondContact O-N 3.25Å; L39-G41 VanDerWaalsContact C-N 3.32Å; L39-G41 PolarHBondContact O-N 2.84Å; L39-L42 PolarHBondContact O-N 2.88Å; L39-S43 PolarHBondContact O-N 3.41Å; L39-A110 WeakPolarHBondContact CD1-O 3.48Å; L39-Y111 WeakPolarHBondContact CG-O 3.36Å; L39-A113 HydrophobicContact CD2-CB 3.83Å
40	Q	93.2	Very high	92.4	Very high	118 Å²	118	77.5 Å²	77.5	55%	0.551	48%	0.475	S	S	*	.	H	α-helix	trans	-59.2	-42.9	172.8	-73.2	173.7	-8.5	0	0	111.8	T36 S43 V44	T36-Q40 WeakPolarHBondContact O-CG 3.26Å; T36-Q40 PolarHBondContact O-N 2.84Å; Q40-S43 WeakPolarHBondContact O-CB 3.41Å; Q40-S43 PolarHBondContact O-N 3.16Å; Q40-V44 WeakPolarHBondContact O-CG2 3.44Å; Q40-V44 PolarHBondContact O-N 2.83Å
41	G	94.1	Very high	92.7	Very high	35 Å²	35	78.8 Å²	78.8	36%	0.361	47%	0.473	S	S	.	.	H	α-helix	trans	-59.3	-45.5	174.5	0	0	0	0	0	112.7	T37 L38 L39 S43 V44 L45	T37-G41 PolarHBondContact O-N 2.62Å; L38-G41 PolarHBondContact O-N 2.94Å; L39-G41 VanDerWaalsContact C-N 3.32Å; L39-G41 PolarHBondContact O-N 2.84Å; G41-S43 VanDerWaalsContact C-N 3.32Å; G41-S43 PolarHBondContact O-N 3.01Å; G41-V44 PolarHBondContact O-N 2.85Å; G41-L45 WeakPolarHBondContact O-CG 3.21Å; G41-L45 PolarHBondContact O-N 3.16Å
42	L	94.6	Very high	92.7	Very high	46 Å²	46	77.5 Å²	77.5	24%	0.241	46%	0.457	C	S	.	.	H	α-helix	trans	-63	-37.3	176.8	-70.4	166.6	0	0	0	112.4	L38 L39 L45 R46 V69 Y111	L38-L42 HydrophobicContact CG-CD1 4.21Å; L38-L42 WeakPolarHBondContact O-CG 3.28Å; L38-L42 PolarHBondContact O-N 2.99Å; L39-L42 PolarHBondContact O-N 2.88Å; L42-L45 PolarHBondContact O-N 3.47Å; L42-R46 PolarHBondContact O-N 3.49Å; L42-R46 VanDerWaalsContact O-N 3.11Å; L42-V69 HydrophobicContact CD1-CG2 3.98Å; L42-V69 HydrophobicContact CD2-CG2 4.07Å; L42-V69 HydrophobicContact CG-CG2 4.43Å; L42-Y111 HydrophobicContact CB-CD1 4.13Å; L42-Y111 HydrophobicContact CB-CE1 4.17Å
43	S	93.7	Very high	93	Very high	48 Å²	48	75.8 Å²	75.8	34%	0.336	44%	0.442	S	S	.	.	H	α-helix	trans	-64.1	-44.6	174.8	-174.6	0	0	0	0	112	L39 Q40 G41 L45 R46 A47	L39-S43 PolarHBondContact O-N 3.41Å; Q40-S43 WeakPolarHBondContact O-CB 3.41Å; Q40-S43 PolarHBondContact O-N 3.16Å; G41-S43 VanDerWaalsContact C-N 3.32Å; G41-S43 PolarHBondContact O-N 3.01Å; S43-L45 PolarHBondContact O-N 2.94Å; S43-R46 PolarHBondContact O-N 3.39Å; S43-A47 PolarHBondContact O-N 3.03Å
44	V	94.7	Very high	93.1	Very high	77 Å²	77	72.1 Å²	72.1	47%	0.467	42%	0.416	S	S	.	.	H	α-helix	trans	-62.8	-42.5	175.8	172.4	0	0	0	0	111.7	Q40 G41 R46 A47 Q48	Q40-V44 WeakPolarHBondContact O-CG2 3.44Å; Q40-V44 PolarHBondContact O-N 2.83Å; G41-V44 PolarHBondContact O-N 2.85Å; V44-R46 VanDerWaalsContact C-N 3.31Å; V44-R46 PolarHBondContact O-N 3.46Å; V44-A47 PolarHBondContact O-N 3.46Å; V44-Q48 WeakPolarHBondContact O-CG 3.42Å; V44-Q48 PolarHBondContact O-N 2.94Å
45	L	95.2	Very high	93.1	Very high	47 Å²	47	67.5 Å²	67.5	25%	0.246	40%	0.396	C	S	.	.	H	α-helix	trans	-58.9	-43.6	176.2	-72.1	172.4	0	0	0	111.5	G41 L42 S43 Q48 G49 Q50 L51	G41-L45 WeakPolarHBondContact O-CG 3.21Å; G41-L45 PolarHBondContact O-N 3.16Å; L42-L45 PolarHBondContact O-N 3.47Å; S43-L45 PolarHBondContact O-N 2.94Å; L45-Q48 PolarHBondContact O-N 3.4Å; L45-G49 PolarHBondContact O-N 3.36Å; L45-Q50 HydrophobicContact CD2-CB 3.97Å; L45-Q50 VanDerWaalsContact CD2-OE1 3.3Å; L45-Q50 PolarHBondContact O-N 2.88Å; L45-L51 HydrophobicContact CD1-CD1 4.43Å
46	R	94.5	Very high	93.3	Very high	51 Å²	51	63.8 Å²	63.8	19%	0.192	37%	0.37	C	S	.	.	H	α-helix	trans	-62.6	-46.2	176	179.1	178.7	170.8	-131.5	-2.9	111.7	L42 S43 V44 Q48 G49 L52 I107 D108 Y111	L42-R46 PolarHBondContact O-N 3.49Å; L42-R46 VanDerWaalsContact O-N 3.11Å; S43-R46 PolarHBondContact O-N 3.39Å; V44-R46 VanDerWaalsContact C-N 3.31Å; V44-R46 PolarHBondContact O-N 3.46Å; R46-Q48 PolarHBondContact O-N 2.9Å; R46-G49 PolarHBondContact O-N 3.39Å; R46-G49 VanDerWaalsContact O-N 3.11Å; R46-L52 HydrophobicContact CB-CD2 4.39Å; R46-L52 HydrophobicContact CG-CD2 4.33Å; R46-I107 VanDerWaalsContact NH2-CG2 3.25Å; R46-D108 IonicContact CZ-OD1 3.75Å; R46-D108 IonicContact NH1-OD1 3.03Å; R46-D108 PolarHBondContact NH1-OD1 3.03Å; R46-D108 IonicContact NH2-OD1 3.56Å; R46-Y111 HydrophobicContact CB-CD1 4.43Å; R46-Y111 HydrophobicContact CB-CE1 4.16Å; R46-Y111 VanDerWaalsContact CD-CE2 3.41Å
47	A	93.1	Very high	93.3	Very high	91 Å²	91	60.5 Å²	60.5	75%	0.752	35%	0.351	S	S	*	.	H	α-helix	trans	-61.2	-29.3	179.1	0	0	0	0	0	113.1	S43 V44	S43-A47 PolarHBondContact O-N 3.03Å; V44-A47 PolarHBondContact O-N 3.46Å
48	Q	94.3	Very high	93.2	Very high	117 Å²	117	56.6 Å²	56.6	55%	0.547	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-0.9	178.2	-66.4	-178.9	5.4	0	0	114.2	V44 L45 R46 Q50	V44-Q48 WeakPolarHBondContact O-CG 3.42Å; V44-Q48 PolarHBondContact O-N 2.94Å; L45-Q48 PolarHBondContact O-N 3.4Å; R46-Q48 PolarHBondContact O-N 2.9Å; Q48-Q50 VanDerWaalsContact C-N 3.31Å; Q48-Q50 HydrophobicContact CB-CG 4.01Å; Q48-Q50 PolarHBondContact O-N 3.47Å
49	G	91.5	Very high	92.7	Very high	46 Å²	46	59.3 Å²	59.3	47%	0.474	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	21.4	-178.2	0	0	0	0	0	114.2	L45 R46	L45-G49 PolarHBondContact O-N 3.36Å; R46-G49 PolarHBondContact O-N 3.39Å; R46-G49 VanDerWaalsContact O-N 3.11Å
50	Q	92.2	Very high	92.2	Very high	88 Å²	88	66.3 Å²	66.3	41%	0.411	37%	0.373	S	S	.	.			trans	-97.8	137.5	-172.8	-67.6	177.3	2.1	0	0	111.4	L45 Q48 L52 H66	L45-Q50 HydrophobicContact CD2-CB 3.97Å; L45-Q50 VanDerWaalsContact CD2-OE1 3.3Å; L45-Q50 PolarHBondContact O-N 2.88Å; Q48-Q50 VanDerWaalsContact C-N 3.31Å; Q48-Q50 HydrophobicContact CB-CG 4.01Å; Q48-Q50 PolarHBondContact O-N 3.47Å; Q50-L52 PolarHBondContact O-N 2.72Å; Q50-L52 VanDerWaalsContact O-N 3.13Å; Q50-H66 PolarHBondContact O-NE2 3.43Å; Q50-H66 VanDerWaalsContact O-NE2 3.12Å
51	L	91.5	Very high	92.2	Very high	137 Å²	137	65.4 Å²	65.4	72%	0.717	37%	0.369	S	S	*	.	S	Bend	trans	59.3	19	175.9	-54.2	176	0	0	0	115.1	L45 H66	L45-L51 HydrophobicContact CD1-CD1 4.43Å; L51-H66 PolarHBondContact O-CD2 3.27Å
52	L	92.1	Very high	92.2	Very high	39 Å²	39	72.1 Å²	72.1	20%	0.204	38%	0.383	C	S	.	.			trans	-72.9	131.5	175.4	-58.2	177.1	0	0	0	110.1	R46 Q50 Q64 H66	R46-L52 HydrophobicContact CB-CD2 4.39Å; R46-L52 HydrophobicContact CG-CD2 4.33Å; Q50-L52 PolarHBondContact O-N 2.72Å; Q50-L52 VanDerWaalsContact O-N 3.13Å; L52-Q64 HydrophobicContact CB-CB 4.44Å; L52-Q64 HydrophobicContact CD1-CB 3.53Å; L52-Q64 HydrophobicContact CG-CB 4.47Å; L52-H66 WeakPolarHBondContact CD2-CE1 3.5Å; L52-H66 WeakPolarHBondContact CD2-ND1 3.3Å
53	D	92.6	Very high	92.2	Very high	76 Å²	76	71 Å²	71	41%	0.406	38%	0.376	S	S	.	.			trans	-128.7	4.4	-168.8	61.3	-6.6	0	0	0	113.3	V65 H66 K67	D53-V65 PolarHBondContact N-O 2.7Å; D53-H66 VanDerWaalsContact OD1-CA 3.26Å; D53-H66 WeakPolarHBondContact OD1-CA 3.38Å; D53-K67 VanDerWaalsContact O-CE 3.31Å; D53-K67 WeakPolarHBondContact O-CE 3.46Å; D53-K67 PolarHBondContact OD1-N 3.49Å; D53-K67 WeakPolarHBondContact OD2-CB 3.39Å
54	V	93.1	Very high	92.2	Very high	3 Å²	3	74 Å²	74	2%	0.018	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	148.1	171.5	70.3	0	0	0	0	112.5	L56 V65 K67 F81 I93	V54-L56 HydrophobicContact CG2-CD2 4.49Å; V54-V65 HydrophobicContact CG1-CG2 3.41Å; V54-V65 VanDerWaalsContact CG1-CG2 3.41Å; V54-V65 PolarHBondContact N-O 3.26Å; V54-V65 PolarHBondContact O-N 3.12Å; V54-K67 HydrophobicContact CB-CD 4.39Å; V54-K67 HydrophobicContact CB-CG 3.8Å; V54-K67 HydrophobicContact CG1-CG 3.69Å; V54-F81 HydrophobicContact CG1-CZ 4.38Å; V54-I93 HydrophobicContact CG2-CD1 3.63Å; V54-I93 HydrophobicContact CG2-CG1 4.06Å
55	V	93.8	Very high	92.2	Very high	20 Å²	20	70.3 Å²	70.3	12%	0.121	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.3	170.8	-172.1	0	0	0	0	109.3	R62 F63 Q64 E91 T92 I93	V55-R62 HydrophobicContact CG1-CB 4Å; V55-R62 HydrophobicContact CG1-CG 4.48Å; V55-F63 WeakPolarHBondContact CA-O 3.31Å; V55-Q64 HydrophobicContact CG2-CG 4.09Å; V55-E91 PolarHBondContact N-O 3.33Å; V55-T92 HydrophobicContact CB-CG2 4.38Å; V55-T92 HydrophobicContact CG1-CG2 4.46Å; V55-T92 CarbonylContact O-C 3.59Å; V55-T92 VanDerWaalsContact O-CA 3.28Å; V55-T92 WeakPolarHBondContact O-CA 3.42Å; V55-I93 PolarHBondContact O-N 3Å
56	L	93.3	Very high	92.2	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	125.9	170.6	-57.5	-179.4	0	0	0	109.1	V54 R62 F63 V65 L70 F77 I93 L95 L103 I107	V54-L56 HydrophobicContact CG2-CD2 4.49Å; L56-R62 WeakPolarHBondContact O-CA 3.45Å; L56-F63 HydrophobicContact CB-CB 4.46Å; L56-F63 PolarHBondContact N-O 3.17Å; L56-F63 PolarHBondContact O-N 3.13Å; L56-V65 HydrophobicContact CD1-CG2 4.13Å; L56-V65 HydrophobicContact CG-CG2 4.04Å; L56-L70 HydrophobicContact CD1-CD1 3.75Å; L56-F77 HydrophobicContact CD1-CE1 4Å; L56-F77 HydrophobicContact CD1-CZ 3.7Å; L56-F77 HydrophobicContact CD2-CE1 4.05Å; L56-I93 HydrophobicContact CD2-CB 4.18Å; L56-L95 HydrophobicContact CB-CD1 4.4Å; L56-L95 HydrophobicContact CD1-CD1 4.21Å; L56-L95 HydrophobicContact CD2-CD1 4.26Å; L56-L103 HydrophobicContact CB-CD2 4.16Å; L56-L103 HydrophobicContact CD1-CD1 4.23Å; L56-L103 HydrophobicContact CD1-CD2 4.38Å; L56-I107 HydrophobicContact CD1-CD1 4.25Å
57	A	91.3	Very high	92.2	Very high	10 Å²	10	68.4 Å²	68.4	8%	0.083	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.3	178.6	0	0	0	0	0	110.6	E61 R62 T92 I93 E94 L95	A57-E61 WeakPolarHBondContact CA-O 3.38Å; A57-R62 HydrophobicContact CB-CG 4.48Å; A57-T92 HydrophobicContact CB-CG2 3.85Å; A57-I93 PolarHBondContact N-O 2.95Å; A57-E94 WeakPolarHBondContact O-CA 3.46Å; A57-L95 PolarHBondContact O-N 3.17Å
58	I	91.1	Very high	92.1	Very high	2 Å²	2	67.2 Å²	67.2	1%	0.01	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	118.6	169	-66.9	-178.4	0	0	0	107	E60 E61 L95 L98 A100 L103	I58-E60 PolarHBondContact O-N 2.95Å; I58-E60 VanDerWaalsContact O-N 3.16Å; I58-E61 PolarHBondContact N-O 3.13Å; I58-E61 PolarHBondContact O-N 3.37Å; I58-L95 HydrophobicContact CD1-CB 4.26Å; I58-L95 HydrophobicContact CG1-CB 3.91Å; I58-L98 HydrophobicContact CD1-CB 3.61Å; I58-L98 HydrophobicContact CD1-CD1 4.37Å; I58-L98 WeakPolarHBondContact CG2-O 3.36Å; I58-A100 HydrophobicContact CG2-CB 4.27Å; I58-L103 HydrophobicContact CD1-CB 3.67Å; I58-L103 HydrophobicContact CD1-CD2 3.37Å; I58-L103 HydrophobicContact CD1-CG 4.07Å; I58-L103 HydrophobicContact CG1-CD2 3.9Å
59	N	83.6	Confident	92.2	Very high	151 Å²	151	62.3 Å²	62.3	81%	0.807	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	-117.4	-174.7	-56.5	-31.3	0	0	0	111.1
60	E	83.8	Confident	92.3	Very high	191 Å²	191	60.2 Å²	60.2	89%	0.893	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-8.7	176.8	-58.4	-147.8	152	0	0	113.9	I58	I58-E60 PolarHBondContact O-N 2.95Å; I58-E60 VanDerWaalsContact O-N 3.16Å
61	E	92.3	Very high	92.3	Very high	99 Å²	99	56.8 Å²	56.8	46%	0.463	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	139.3	-178.2	-68.6	-171.9	-135.3	0	0	111.9	A57 I58 F63 A100	A57-E61 WeakPolarHBondContact CA-O 3.38Å; I58-E61 PolarHBondContact N-O 3.13Å; I58-E61 PolarHBondContact O-N 3.37Å; E61-F63 HydrophobicContact CB-CE2 3.87Å; E61-F63 HydrophobicContact CB-CZ 4.11Å; E61-F63 WeakPolarHBondContact OE2-CZ 3.48Å; E61-A100 HydrophobicContact CB-CB 4.08Å; E61-A100 HydrophobicContact CG-CB 4.13Å; E61-A100 WeakPolarHBondContact OE1-CB 3.42Å; E61-A100 WeakPolarHBondContact OE2-CB 3.18Å
62	R	93.4	Very high	92.4	Very high	176 Å²	176	55.1 Å²	55.1	66%	0.664	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.9	129.6	-178.1	-64.6	-177.8	-179.4	-117.9	-0.4	110.8	V55 L56 A57	V55-R62 HydrophobicContact CG1-CB 4Å; V55-R62 HydrophobicContact CG1-CG 4.48Å; L56-R62 WeakPolarHBondContact O-CA 3.45Å; A57-R62 HydrophobicContact CB-CG 4.48Å
63	F	94.9	Very high	92.4	Very high	21 Å²	21	55.5 Å²	55.5	9%	0.092	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	113.6	-178.4	-56.4	-88.1	0	0	0	110.3	V55 L56 E61 A100 L103 K104 I107	V55-F63 WeakPolarHBondContact CA-O 3.31Å; L56-F63 HydrophobicContact CB-CB 4.46Å; L56-F63 PolarHBondContact N-O 3.17Å; L56-F63 PolarHBondContact O-N 3.13Å; E61-F63 HydrophobicContact CB-CE2 3.87Å; E61-F63 HydrophobicContact CB-CZ 4.11Å; E61-F63 WeakPolarHBondContact OE2-CZ 3.48Å; F63-A100 HydrophobicContact CE2-CB 4.43Å; F63-A100 HydrophobicContact CZ-CB 4.39Å; F63-L103 HydrophobicContact CD2-CD2 3.68Å; F63-L103 HydrophobicContact CD2-CG 4.46Å; F63-L103 HydrophobicContact CE2-CD2 3.96Å; F63-L103 HydrophobicContact CG-CD2 4.46Å; F63-K104 HydrophobicContact CE1-CB 3.9Å; F63-K104 HydrophobicContact CE1-CG 4.17Å; F63-K104 HydrophobicContact CZ-CB 4.22Å; F63-I107 HydrophobicContact CB-CD1 3.6Å; F63-I107 HydrophobicContact CD1-CD1 4.11Å; F63-I107 HydrophobicContact CD2-CD1 4.47Å; F63-I107 HydrophobicContact CG-CD1 3.81Å
64	Q	94.1	Very high	92.5	Very high	112 Å²	112	51.9 Å²	51.9	52%	0.523	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	129.7	173.6	-54.7	-167.9	6.2	0	0	110.3	L52 V55	L52-Q64 HydrophobicContact CB-CB 4.44Å; L52-Q64 HydrophobicContact CD1-CB 3.53Å; L52-Q64 HydrophobicContact CG-CB 4.47Å; V55-Q64 HydrophobicContact CG2-CG 4.09Å
65	V	95.8	Very high	92.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	170.8	-171	-63.6	0	0	0	0	111.3	D53 V54 L56 L70 I107	D53-V65 PolarHBondContact N-O 2.7Å; V54-V65 HydrophobicContact CG1-CG2 3.41Å; V54-V65 VanDerWaalsContact CG1-CG2 3.41Å; V54-V65 PolarHBondContact N-O 3.26Å; V54-V65 PolarHBondContact O-N 3.12Å; L56-V65 HydrophobicContact CD1-CG2 4.13Å; L56-V65 HydrophobicContact CG-CG2 4.04Å; V65-L70 HydrophobicContact CB-CD1 4.09Å; V65-L70 HydrophobicContact CG2-CD1 3.49Å; V65-L70 VanDerWaalsContact CG2-CD1 3.49Å; V65-L70 HydrophobicContact CG2-CG 4.38Å; V65-I107 HydrophobicContact CG1-CD1 3.97Å; V65-I107 HydrophobicContact CG1-CG1 4.32Å; V65-I107 HydrophobicContact CG1-CG2 3.5Å
66	H	94.9	Very high	92.5	Very high	15 Å²	15	57 Å²	57	7%	0.069	30%	0.296	C	S	.	.			trans	-99.2	124.4	175.1	-54.7	88.5	0	0	0	110.2	Q50 L51 L52 D53 A68 V69 L70 Y111	Q50-H66 PolarHBondContact O-NE2 3.43Å; Q50-H66 VanDerWaalsContact O-NE2 3.12Å; L51-H66 PolarHBondContact O-CD2 3.27Å; L52-H66 WeakPolarHBondContact CD2-CE1 3.5Å; L52-H66 WeakPolarHBondContact CD2-ND1 3.3Å; D53-H66 VanDerWaalsContact OD1-CA 3.26Å; D53-H66 WeakPolarHBondContact OD1-CA 3.38Å; H66-A68 PolarHBondContact O-N 2.93Å; H66-V69 HydrophobicContact CB-CB 4.25Å; H66-V69 HydrophobicContact CB-CG2 3.89Å; H66-V69 PolarHBondContact O-N 3.06Å; H66-V69 VanDerWaalsContact O-N 3.17Å; H66-L70 PolarHBondContact O-N 3.03Å; H66-Y111 VanDerWaalsContact CB-OH 3.27Å; H66-Y111 WeakPolarHBondContact CB-OH 3.42Å; H66-Y111 PolarHBondContact N-OH 3.21Å; H66-Y111 AromaticContact ND1-CE1 3.59Å; H66-Y111 AromaticContact ND1-CZ 3.57Å; H66-Y111 PolarHBondContact ND1-OH 3.02Å
67	K	92.8	Very high	92.4	Very high	42 Å²	42	57 Å²	57	18%	0.183	30%	0.296	C	S	.	.	H	α-helix	trans	-54.5	-42.5	176.6	-71.7	-178.3	-179.5	177.5	0	111.3	D53 V54 V69 L70 A71 F81 S88	D53-K67 VanDerWaalsContact O-CE 3.31Å; D53-K67 WeakPolarHBondContact O-CE 3.46Å; D53-K67 PolarHBondContact OD1-N 3.49Å; D53-K67 WeakPolarHBondContact OD2-CB 3.39Å; V54-K67 HydrophobicContact CB-CD 4.39Å; V54-K67 HydrophobicContact CB-CG 3.8Å; V54-K67 HydrophobicContact CG1-CG 3.69Å; K67-V69 PolarHBondContact O-N 3.47Å; K67-L70 PolarHBondContact O-N 3.39Å; K67-A71 VanDerWaalsContact O-CB 3.24Å; K67-A71 WeakPolarHBondContact O-CB 3.5Å; K67-A71 PolarHBondContact O-N 3.29Å; K67-F81 HydrophobicContact CB-CD2 3.63Å; K67-F81 HydrophobicContact CB-CE2 3.87Å; K67-F81 HydrophobicContact CB-CG 4.14Å; K67-F81 HydrophobicContact CD-CD1 4.24Å; K67-F81 HydrophobicContact CD-CD2 4.49Å; K67-F81 HydrophobicContact CD-CG 4.2Å; K67-F81 HydrophobicContact CG-CD1 4.23Å; K67-F81 HydrophobicContact CG-CD2 3.88Å; K67-F81 HydrophobicContact CG-CE1 4.25Å; K67-F81 HydrophobicContact CG-CE2 3.89Å; K67-F81 HydrophobicContact CG-CG 4.07Å; K67-F81 HydrophobicContact CG-CZ 4.09Å; K67-S88 PolarHBondContact NZ-O 3.12Å
68	A	92.8	Very high	92.5	Very high	67 Å²	67	62.5 Å²	62.5	55%	0.554	31%	0.314	S	S	*	.	H	α-helix	trans	-62.1	-39.2	-178.8	0	0	0	0	0	113	H66 S72	H66-A68 PolarHBondContact O-N 2.93Å; A68-S72 WeakPolarHBondContact O-CB 3.26Å; A68-S72 PolarHBondContact O-N 3Å; A68-S72 PolarHBondContact O-OG 2.92Å
69	V	94.6	Very high	92.4	Very high	14 Å²	14	64.8 Å²	64.8	9%	0.085	33%	0.333	C	S	.	.	H	α-helix	trans	-69.2	-50.2	179.9	177.4	0	0	0	0	109.9	L42 H66 K67 A71 S72 C73 A110 Y111	L42-V69 HydrophobicContact CD1-CG2 3.98Å; L42-V69 HydrophobicContact CD2-CG2 4.07Å; L42-V69 HydrophobicContact CG-CG2 4.43Å; H66-V69 HydrophobicContact CB-CB 4.25Å; H66-V69 HydrophobicContact CB-CG2 3.89Å; H66-V69 PolarHBondContact O-N 3.06Å; H66-V69 VanDerWaalsContact O-N 3.17Å; K67-V69 PolarHBondContact O-N 3.47Å; V69-A71 PolarHBondContact O-N 3.17Å; V69-S72 WeakPolarHBondContact O-CB 3.29Å; V69-S72 PolarHBondContact O-N 3.44Å; V69-S72 VanDerWaalsContact O-N 3.1Å; V69-C73 PolarHBondContact O-N 3.2Å; V69-C73 PolarHBondContact O-SG 3.44Å; V69-C73 VanDerWaalsContact O-SG 3.32Å; V69-A110 HydrophobicContact CG1-CB 4.26Å; V69-A110 WeakPolarHBondContact CG1-O 3.24Å; V69-Y111 HydrophobicContact CB-CE1 4.1Å; V69-Y111 HydrophobicContact CG1-CD1 4.27Å; V69-Y111 HydrophobicContact CG1-CE1 3.85Å; V69-Y111 HydrophobicContact CG1-CE2 4.08Å; V69-Y111 HydrophobicContact CG2-CE1 3.8Å
70	L	94.1	Very high	92.7	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-64.3	-42	179.9	-68.7	-174.5	0	0	0	113	L56 V65 H66 K67 S72 C73 S74 F77 F81 A110	L56-L70 HydrophobicContact CD1-CD1 3.75Å; V65-L70 HydrophobicContact CB-CD1 4.09Å; V65-L70 HydrophobicContact CG2-CD1 3.49Å; V65-L70 VanDerWaalsContact CG2-CD1 3.49Å; V65-L70 HydrophobicContact CG2-CG 4.38Å; H66-L70 PolarHBondContact O-N 3.03Å; K67-L70 PolarHBondContact O-N 3.39Å; L70-S72 PolarHBondContact O-N 2.91Å; L70-C73 PolarHBondContact O-N 3.43Å; L70-S74 WeakPolarHBondContact O-CB 3.36Å; L70-S74 PolarHBondContact O-N 3.34Å; L70-F77 HydrophobicContact CB-CB 4.01Å; L70-F77 HydrophobicContact CB-CD2 3.76Å; L70-F77 HydrophobicContact CB-CE2 4.41Å; L70-F77 HydrophobicContact CB-CG 3.93Å; L70-F77 HydrophobicContact CD1-CD1 4.49Å; L70-F77 HydrophobicContact CD1-CD2 4.09Å; L70-F77 HydrophobicContact CD1-CE1 4.38Å; L70-F77 HydrophobicContact CD1-CE2 3.96Å; L70-F77 HydrophobicContact CD1-CG 4.36Å; L70-F77 HydrophobicContact CD1-CZ 4.12Å; L70-F77 HydrophobicContact CD2-CD2 4.36Å; L70-F77 HydrophobicContact CD2-CE2 4.31Å; L70-F77 HydrophobicContact CG-CD2 4.3Å; L70-F77 HydrophobicContact CG-CE2 4.48Å; L70-F81 HydrophobicContact CB-CE2 4.18Å; L70-A110 HydrophobicContact CD2-CB 4.03Å
71	A	93.2	Very high	93	Very high	16 Å²	16	50 Å²	50	13%	0.132	26%	0.259	C	S	.	.	H	α-helix	trans	-66.4	-19.6	175.1	0	0	0	0	0	113.5	K67 V69 R78 F81	K67-A71 VanDerWaalsContact O-CB 3.24Å; K67-A71 WeakPolarHBondContact O-CB 3.5Å; K67-A71 PolarHBondContact O-N 3.29Å; V69-A71 PolarHBondContact O-N 3.17Å; A71-R78 HydrophobicContact CB-CB 4.17Å; A71-R78 HydrophobicContact CB-CG 4.47Å; A71-R78 WeakPolarHBondContact O-CB 3.22Å; A71-F81 HydrophobicContact CB-CD2 4.11Å
72	S	92.3	Very high	92.7	Very high	102 Å²	102	50.3 Å²	50.3	71%	0.713	27%	0.268	S	S	*	.	H	α-helix	trans	-80.6	-28.6	177.9	-62.9	0	0	0	0	112.6	A68 V69 L70	A68-S72 WeakPolarHBondContact O-CB 3.26Å; A68-S72 PolarHBondContact O-N 3Å; A68-S72 PolarHBondContact O-OG 2.92Å; V69-S72 WeakPolarHBondContact O-CB 3.29Å; V69-S72 PolarHBondContact O-N 3.44Å; V69-S72 VanDerWaalsContact O-N 3.1Å; L70-S72 PolarHBondContact O-N 2.91Å
73	C	92.1	Very high	91.9	Very high	47 Å²	47	44.7 Å²	44.7	32%	0.318	27%	0.265	S	S	.	.	H	α-helix	trans	-108.3	-15.4	-177.7	59.1	0	0	0	0	114.7	V69 L70 M134	V69-C73 PolarHBondContact O-N 3.2Å; V69-C73 PolarHBondContact O-SG 3.44Å; V69-C73 VanDerWaalsContact O-SG 3.32Å; L70-C73 PolarHBondContact O-N 3.43Å; C73-M134 VanDerWaalsContact C-SD 3.53Å; C73-M134 HydrophobicContact CB-CE 4.21Å; C73-M134 HydrophobicContact CB-SD 3.91Å
74	S	95.3	Very high	90.8	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.007	29%	0.293	C	S	.	.			trans	-128.5	123.9	-177.8	162	0	0	0	0	111.8	L70 Y76 F77 R78 L132	L70-S74 WeakPolarHBondContact O-CB 3.36Å; L70-S74 PolarHBondContact O-N 3.34Å; S74-Y76 VanDerWaalsContact C-N 3.3Å; S74-Y76 PolarHBondContact O-N 2.61Å; S74-Y76 PolarHBondContact OG-N 2.93Å; S74-F77 PolarHBondContact O-N 3.26Å; S74-F77 WeakPolarHBondContact OG-CD2 3.49Å; S74-F77 PolarHBondContact OG-N 3.1Å; S74-F77 VanDerWaalsContact OG-N 3.16Å; S74-R78 WeakPolarHBondContact O-CB 3.34Å; S74-R78 PolarHBondContact O-N 3.17Å; S74-L132 WeakPolarHBondContact CB-O 3.36Å; S74-L132 PolarHBondContact OG-O 3.31Å
75	D	92.8	Very high	90	Very high	70 Å²	70	45.4 Å²	45.4	37%	0.374	29%	0.287	S	S	.	.	H	α-helix	trans	-66.3	-33.3	175.9	-77.4	-21	0	0	0	112.6	R78 A79 Q133	D75-R78 PolarHBondContact O-N 2.58Å; D75-R78 IonicContact OD1-CZ 2.96Å; D75-R78 IonicContact OD1-NE 3.46Å; D75-R78 PolarHBondContact OD1-NE 3.49Å; D75-R78 IonicContact OD1-NH1 3.76Å; D75-R78 IonicContact OD1-NH2 2.61Å; D75-R78 PolarHBondContact OD1-NH2 3.32Å; D75-R78 IonicContact OD2-NH2 3.94Å; D75-A79 WeakPolarHBondContact O-CB 3.38Å; D75-A79 PolarHBondContact O-N 3.31Å; D75-Q133 HydrophobicContact CB-CB 4.22Å; D75-Q133 VanDerWaalsContact CB-OE1 3.26Å
76	Y	93.3	Very high	88.9	Confident	60 Å²	60	55.1 Å²	55.1	24%	0.235	32%	0.324	C	S	.	.	H	α-helix	trans	-59.8	-52.3	174	177.7	-94	0	0	0	111.4	S74 R78 A79 M80 L95 F131 L132	S74-Y76 VanDerWaalsContact C-N 3.3Å; S74-Y76 PolarHBondContact O-N 2.61Å; S74-Y76 PolarHBondContact OG-N 2.93Å; Y76-R78 VanDerWaalsContact C-N 3.34Å; Y76-R78 PolarHBondContact O-N 3.31Å; Y76-A79 PolarHBondContact O-N 3.37Å; Y76-M80 HydrophobicContact CD1-CE 4.26Å; Y76-M80 HydrophobicContact CE1-CE 3.3Å; Y76-M80 HydrophobicContact CE1-SD 4.5Å; Y76-M80 VanDerWaalsContact CZ-CE 3.46Å; Y76-M80 WeakPolarHBondContact O-CB 3.46Å; Y76-M80 PolarHBondContact O-N 2.84Å; Y76-M80 VanDerWaalsContact OH-CE 3.26Å; Y76-M80 WeakPolarHBondContact OH-CE 3.37Å; Y76-L95 HydrophobicContact CE1-CD2 4.17Å; Y76-F131 HydrophobicContact CE1-CE1 4.33Å; Y76-F131 HydrophobicContact CE2-CE1 4.18Å; Y76-F131 HydrophobicContact CE2-CZ 4.49Å; Y76-F131 AromaticContact CZ-CE1 3.88Å; Y76-L132 WeakPolarHBondContact CB-O 3.29Å; Y76-L132 HydrophobicContact CD1-CD2 3.6Å; Y76-L132 HydrophobicContact CE1-CD2 3.84Å; Y76-L132 HydrophobicContact CG-CD2 4.35Å
77	F	93	Very high	88	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-68.2	-34.7	178.2	-73.8	-56	0	0	0	112.2	L56 L70 S74 M80 F81 L95 L132	L56-F77 HydrophobicContact CD1-CE1 4Å; L56-F77 HydrophobicContact CD1-CZ 3.7Å; L56-F77 HydrophobicContact CD2-CE1 4.05Å; L70-F77 HydrophobicContact CB-CB 4.01Å; L70-F77 HydrophobicContact CB-CD2 3.76Å; L70-F77 HydrophobicContact CB-CE2 4.41Å; L70-F77 HydrophobicContact CB-CG 3.93Å; L70-F77 HydrophobicContact CD1-CD1 4.49Å; L70-F77 HydrophobicContact CD1-CD2 4.09Å; L70-F77 HydrophobicContact CD1-CE1 4.38Å; L70-F77 HydrophobicContact CD1-CE2 3.96Å; L70-F77 HydrophobicContact CD1-CG 4.36Å; L70-F77 HydrophobicContact CD1-CZ 4.12Å; L70-F77 HydrophobicContact CD2-CD2 4.36Å; L70-F77 HydrophobicContact CD2-CE2 4.31Å; L70-F77 HydrophobicContact CG-CD2 4.3Å; L70-F77 HydrophobicContact CG-CE2 4.48Å; S74-F77 PolarHBondContact O-N 3.26Å; S74-F77 WeakPolarHBondContact OG-CD2 3.49Å; S74-F77 PolarHBondContact OG-N 3.1Å; S74-F77 VanDerWaalsContact OG-N 3.16Å; F77-M80 HydrophobicContact CD1-SD 4.32Å; F77-M80 PolarHBondContact O-N 2.98Å; F77-F81 HydrophobicContact CB-CD2 4.24Å; F77-F81 HydrophobicContact CB-CE2 3.79Å; F77-F81 HydrophobicContact CB-CZ 4.29Å; F77-F81 HydrophobicContact CD1-CE1 4.38Å; F77-F81 HydrophobicContact CD1-CE2 4.02Å; F77-F81 AromaticContact CD1-CZ 3.65Å; F77-F81 HydrophobicContact CD1-CZ 3.65Å; F77-F81 HydrophobicContact CE1-CZ 4.39Å; F77-F81 HydrophobicContact CG-CE2 4.17Å; F77-F81 HydrophobicContact CG-CZ 4.28Å; F77-F81 WeakPolarHBondContact O-CB 3.25Å; F77-F81 VanDerWaalsContact O-CD2 3.29Å; F77-F81 WeakPolarHBondContact O-CD2 3.31Å; F77-F81 VanDerWaalsContact O-CG 3.3Å; F77-F81 WeakPolarHBondContact O-CG 3.2Å; F77-F81 PolarHBondContact O-N 3.11Å; F77-L95 HydrophobicContact CE1-CD1 4.33Å; F77-L95 HydrophobicContact CZ-CD1 4.17Å; F77-L132 HydrophobicContact CE1-CD2 4.32Å; F77-L132 HydrophobicContact CE2-CB 4.5Å; F77-L132 HydrophobicContact CE2-CD1 4.02Å; F77-L132 HydrophobicContact CE2-CD2 3.74Å; F77-L132 HydrophobicContact CE2-CG 4.3Å; F77-L132 HydrophobicContact CZ-CD1 4.27Å; F77-L132 HydrophobicContact CZ-CD2 3.6Å
78	R	92.1	Very high	87.1	Confident	125 Å²	125	56.6 Å²	56.6	47%	0.472	33%	0.334	S	S	.	.	H	α-helix	trans	-58.7	-50.2	173.6	-169.4	167.6	66.2	-170.2	4.1	111	A71 S74 D75 Y76 M80 F81 T82	A71-R78 HydrophobicContact CB-CB 4.17Å; A71-R78 HydrophobicContact CB-CG 4.47Å; A71-R78 WeakPolarHBondContact O-CB 3.22Å; S74-R78 WeakPolarHBondContact O-CB 3.34Å; S74-R78 PolarHBondContact O-N 3.17Å; D75-R78 PolarHBondContact O-N 2.58Å; D75-R78 IonicContact OD1-CZ 2.96Å; D75-R78 IonicContact OD1-NE 3.46Å; D75-R78 PolarHBondContact OD1-NE 3.49Å; D75-R78 IonicContact OD1-NH1 3.76Å; D75-R78 IonicContact OD1-NH2 2.61Å; D75-R78 PolarHBondContact OD1-NH2 3.32Å; D75-R78 IonicContact OD2-NH2 3.94Å; Y76-R78 VanDerWaalsContact C-N 3.34Å; Y76-R78 PolarHBondContact O-N 3.31Å; R78-M80 VanDerWaalsContact C-N 3.32Å; R78-M80 PolarHBondContact O-N 3.48Å; R78-F81 PolarHBondContact O-N 3.25Å; R78-T82 WeakPolarHBondContact O-CB 3.22Å; R78-T82 PolarHBondContact O-N 3.43Å; R78-T82 PolarHBondContact O-OG1 3.27Å
79	A	90.3	Very high	86.3	Confident	50 Å²	50	60.4 Å²	60.4	41%	0.413	35%	0.345	S	S	.	.	H	α-helix	trans	-61.7	-40.8	176.4	0	0	0	0	0	111.7	D75 Y76 G83	D75-A79 WeakPolarHBondContact O-CB 3.38Å; D75-A79 PolarHBondContact O-N 3.31Å; Y76-A79 PolarHBondContact O-N 3.37Å; A79-G83 WeakPolarHBondContact O-CA 3.41Å; A79-G83 PolarHBondContact O-N 3.11Å
80	M	89.6	Confident	85.8	Confident	6 Å²	6	63.4 Å²	63.4	3%	0.03	36%	0.358	C	S	.	.	H	α-helix	trans	-63.1	-45.3	178.2	-174.2	-177.9	-74.6	0	0	114.1	Y76 F77 R78 M85 E87 I93 L95	Y76-M80 HydrophobicContact CD1-CE 4.26Å; Y76-M80 HydrophobicContact CE1-CE 3.3Å; Y76-M80 HydrophobicContact CE1-SD 4.5Å; Y76-M80 VanDerWaalsContact CZ-CE 3.46Å; Y76-M80 WeakPolarHBondContact O-CB 3.46Å; Y76-M80 PolarHBondContact O-N 2.84Å; Y76-M80 VanDerWaalsContact OH-CE 3.26Å; Y76-M80 WeakPolarHBondContact OH-CE 3.37Å; F77-M80 HydrophobicContact CD1-SD 4.32Å; F77-M80 PolarHBondContact O-N 2.98Å; R78-M80 VanDerWaalsContact C-N 3.32Å; R78-M80 PolarHBondContact O-N 3.48Å; M80-M85 HydrophobicContact CB-CE 3.85Å; M80-M85 HydrophobicContact CG-CE 4.23Å; M80-E87 HydrophobicContact CG-CB 3.81Å; M80-E87 HydrophobicContact SD-CB 4.18Å; M80-I93 HydrophobicContact CE-CG2 4.47Å; M80-I93 HydrophobicContact SD-CD1 3.87Å; M80-I93 HydrophobicContact SD-CG2 3.96Å; M80-L95 HydrophobicContact CE-CD2 4.24Å
81	F	89.8	Confident	85.2	Confident	26 Å²	26	70.8 Å²	70.8	11%	0.114	39%	0.392	C	S	.	.	H	α-helix	trans	-84.7	-26.1	-175.1	-57	-29.4	0	0	0	113.1	V54 K67 L70 A71 F77 R78 I93	V54-F81 HydrophobicContact CG1-CZ 4.38Å; K67-F81 HydrophobicContact CB-CD2 3.63Å; K67-F81 HydrophobicContact CB-CE2 3.87Å; K67-F81 HydrophobicContact CB-CG 4.14Å; K67-F81 HydrophobicContact CD-CD1 4.24Å; K67-F81 HydrophobicContact CD-CD2 4.49Å; K67-F81 HydrophobicContact CD-CG 4.2Å; K67-F81 HydrophobicContact CG-CD1 4.23Å; K67-F81 HydrophobicContact CG-CD2 3.88Å; K67-F81 HydrophobicContact CG-CE1 4.25Å; K67-F81 HydrophobicContact CG-CE2 3.89Å; K67-F81 HydrophobicContact CG-CG 4.07Å; K67-F81 HydrophobicContact CG-CZ 4.09Å; L70-F81 HydrophobicContact CB-CE2 4.18Å; A71-F81 HydrophobicContact CB-CD2 4.11Å; F77-F81 HydrophobicContact CB-CD2 4.24Å; F77-F81 HydrophobicContact CB-CE2 3.79Å; F77-F81 HydrophobicContact CB-CZ 4.29Å; F77-F81 HydrophobicContact CD1-CE1 4.38Å; F77-F81 HydrophobicContact CD1-CE2 4.02Å; F77-F81 AromaticContact CD1-CZ 3.65Å; F77-F81 HydrophobicContact CD1-CZ 3.65Å; F77-F81 HydrophobicContact CE1-CZ 4.39Å; F77-F81 HydrophobicContact CG-CE2 4.17Å; F77-F81 HydrophobicContact CG-CZ 4.28Å; F77-F81 WeakPolarHBondContact O-CB 3.25Å; F77-F81 VanDerWaalsContact O-CD2 3.29Å; F77-F81 WeakPolarHBondContact O-CD2 3.31Å; F77-F81 VanDerWaalsContact O-CG 3.3Å; F77-F81 WeakPolarHBondContact O-CG 3.2Å; F77-F81 PolarHBondContact O-N 3.11Å; R78-F81 PolarHBondContact O-N 3.25Å; F81-I93 HydrophobicContact CD1-CD1 4.43Å; F81-I93 HydrophobicContact CE1-CD1 3.61Å
82	T	86.4	Confident	85	Confident	105 Å²	105	72.6 Å²	72.6	64%	0.644	40%	0.402	S	S	*	.	H	α-helix	trans	-110.6	-15.2	-174.8	69.2	0	0	0	0	114.3	R78 G84	R78-T82 WeakPolarHBondContact O-CB 3.22Å; R78-T82 PolarHBondContact O-N 3.43Å; R78-T82 PolarHBondContact O-OG1 3.27Å; T82-G84 VanDerWaalsContact C-N 3.32Å; T82-G84 PolarHBondContact O-N 3.22Å
83	G	76.8	Confident	84.9	Confident	58 Å²	58	67.9 Å²	67.9	60%	0.598	37%	0.369	S	S	*	.	S	Bend	trans	-84.2	8	-175.1	0	0	0	0	0	115.9	A79 M85	A79-G83 WeakPolarHBondContact O-CA 3.41Å; A79-G83 PolarHBondContact O-N 3.11Å; G83-M85 VanDerWaalsContact C-N 3.33Å; G83-M85 PolarHBondContact O-N 3.3Å
84	G	71.7	Confident	84.8	Confident	66 Å²	66	71.8 Å²	71.8	68%	0.68	38%	0.382	S	S	*	.			trans	72.4	20.8	179.4	0	0	0	0	0	115	T82	T82-G84 VanDerWaalsContact C-N 3.32Å; T82-G84 PolarHBondContact O-N 3.22Å
85	M	76.1	Confident	84.5	Confident	82 Å²	82	72 Å²	72	40%	0.404	38%	0.384	S	S	.	.			trans	-70.3	158	175.3	-55.9	-147.8	-91.2	0	0	111.3	M80 G83 E87 S88	M80-M85 HydrophobicContact CB-CE 3.85Å; M80-M85 HydrophobicContact CG-CE 4.23Å; G83-M85 VanDerWaalsContact C-N 3.33Å; G83-M85 PolarHBondContact O-N 3.3Å; M85-E87 VanDerWaalsContact CB-OE2 3.28Å; M85-E87 WeakPolarHBondContact CB-OE2 3.37Å; M85-E87 PolarHBondContact O-N 3.18Å; M85-E87 VanDerWaalsContact O-N 3.16Å; M85-S88 WeakPolarHBondContact O-CB 3.38Å; M85-S88 PolarHBondContact O-N 3.4Å; M85-S88 PolarHBondContact O-OG 3.07Å
86	R	72.3	Confident	84.2	Confident	205 Å²	205	75.8 Å²	75.8	77%	0.774	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-60.6	-31.6	-177	-69.3	177.9	77.9	-179.2	3.4	111.7	S88 N89	R86-S88 PolarHBondContact O-N 2.92Å; R86-N89 PolarHBondContact O-N 2.65Å
87	E	75.8	Confident	83.7	Confident	66 Å²	66	76.8 Å²	76.8	31%	0.308	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-61.1	-26	177.5	-64.9	77.1	-174.5	0	0	112.2	M80 M85 N89 Q90 I93	M80-E87 HydrophobicContact CG-CB 3.81Å; M80-E87 HydrophobicContact SD-CB 4.18Å; M85-E87 VanDerWaalsContact CB-OE2 3.28Å; M85-E87 WeakPolarHBondContact CB-OE2 3.37Å; M85-E87 PolarHBondContact O-N 3.18Å; M85-E87 VanDerWaalsContact O-N 3.16Å; E87-N89 PolarHBondContact O-N 3.08Å; E87-Q90 PolarHBondContact O-N 3.47Å; E87-I93 HydrophobicContact CB-CD1 4.13Å; E87-I93 HydrophobicContact CB-CG1 4.33Å; E87-I93 HydrophobicContact CG-CG2 4.31Å
88	S	74.9	Confident	83.6	Confident	22 Å²	22	77.6 Å²	77.6	15%	0.154	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-62.6	-30	178.3	75.3	0	0	0	0	112.3	K67 M85 R86	K67-S88 PolarHBondContact NZ-O 3.12Å; M85-S88 WeakPolarHBondContact O-CB 3.38Å; M85-S88 PolarHBondContact O-N 3.4Å; M85-S88 PolarHBondContact O-OG 3.07Å; R86-S88 PolarHBondContact O-N 2.92Å
89	N	76.8	Confident	83.6	Confident	147 Å²	147	73.4 Å²	73.4	79%	0.786	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-100.7	1.6	-177.6	-60.3	-32	0	0	0	113	R86 E87	R86-N89 PolarHBondContact O-N 2.65Å; E87-N89 PolarHBondContact O-N 3.08Å
90	Q	82.6	Confident	83.7	Confident	77 Å²	77	71.5 Å²	71.5	36%	0.36	40%	0.403	S	S	.	.			trans	-90.9	142.8	177.9	-69.9	176.3	1.2	0	0	110.8	E87 I93	E87-Q90 PolarHBondContact O-N 3.47Å; Q90-I93 HydrophobicContact CB-CG1 4.35Å
91	E	82.4	Confident	83.9	Confident	155 Å²	155	76 Å²	76	72%	0.724	42%	0.42	S	S	*	.	S	Bend	trans	-82	-33.1	174.2	-170.2	177.2	-172.6	0	0	111.4	V55	V55-E91 PolarHBondContact N-O 3.33Å
92	T	89.1	Confident	84.1	Confident	54 Å²	54	74.8 Å²	74.8	33%	0.331	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	126.5	173.9	-57.1	0	0	0	0	110.3	V55 A57	V55-T92 HydrophobicContact CB-CG2 4.38Å; V55-T92 HydrophobicContact CG1-CG2 4.46Å; V55-T92 CarbonylContact O-C 3.59Å; V55-T92 VanDerWaalsContact O-CA 3.28Å; V55-T92 WeakPolarHBondContact O-CA 3.42Å; A57-T92 HydrophobicContact CB-CG2 3.85Å
93	I	90.6	Very high	84.4	Confident	3 Å²	3	69.8 Å²	69.8	2%	0.015	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.2	179.3	-60.1	172.4	0	0	0	108.4	V54 V55 L56 A57 M80 F81 E87 Q90 L95	V54-I93 HydrophobicContact CG2-CD1 3.63Å; V54-I93 HydrophobicContact CG2-CG1 4.06Å; V55-I93 PolarHBondContact O-N 3Å; L56-I93 HydrophobicContact CD2-CB 4.18Å; A57-I93 PolarHBondContact N-O 2.95Å; M80-I93 HydrophobicContact CE-CG2 4.47Å; M80-I93 HydrophobicContact SD-CD1 3.87Å; M80-I93 HydrophobicContact SD-CG2 3.96Å; F81-I93 HydrophobicContact CD1-CD1 4.43Å; F81-I93 HydrophobicContact CE1-CD1 3.61Å; E87-I93 HydrophobicContact CB-CD1 4.13Å; E87-I93 HydrophobicContact CB-CG1 4.33Å; E87-I93 HydrophobicContact CG-CG2 4.31Å; Q90-I93 HydrophobicContact CB-CG1 4.35Å; I93-L95 HydrophobicContact CG2-CD2 4.29Å
94	E	89.3	Confident	85.3	Confident	129 Å²	129	72.2 Å²	72.2	60%	0.603	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	116	177.8	-164.1	-172	154.6	0	0	110	A57 K96	A57-E94 WeakPolarHBondContact O-CA 3.46Å; E94-K96 WeakPolarHBondContact OE1-CE 3.27Å
95	L	89.4	Confident	86.4	Confident	7 Å²	7	71.1 Å²	71.1	4%	0.037	36%	0.355	C	S	.	.			trans	-95.1	128.3	176.8	-64.7	175	0	0	0	109.5	L56 A57 I58 Y76 F77 M80 I93 L98 L103	L56-L95 HydrophobicContact CB-CD1 4.4Å; L56-L95 HydrophobicContact CD1-CD1 4.21Å; L56-L95 HydrophobicContact CD2-CD1 4.26Å; A57-L95 PolarHBondContact O-N 3.17Å; I58-L95 HydrophobicContact CD1-CB 4.26Å; I58-L95 HydrophobicContact CG1-CB 3.91Å; Y76-L95 HydrophobicContact CE1-CD2 4.17Å; F77-L95 HydrophobicContact CE1-CD1 4.33Å; F77-L95 HydrophobicContact CZ-CD1 4.17Å; M80-L95 HydrophobicContact CE-CD2 4.24Å; I93-L95 HydrophobicContact CG2-CD2 4.29Å; L95-L98 HydrophobicContact CB-CD1 4.39Å; L95-L98 HydrophobicContact CD1-CD1 4.24Å; L95-L103 HydrophobicContact CD1-CD1 4.23Å; L95-L103 HydrophobicContact CD1-CD2 4.19Å
96	K	86.6	Confident	87.3	Confident	149 Å²	149	67.2 Å²	67.2	65%	0.648	34%	0.336	S	S	*	.			trans	-110.4	145.5	179.2	-62.3	-175	-179.3	-177.3	0	110.1	E94	E94-K96 WeakPolarHBondContact OE1-CE 3.27Å
97	G	82.7	Confident	88.4	Confident	80 Å²	80	57.5 Å²	57.5	83%	0.825	30%	0.299	S	S	*	.	S	Bend	trans	84.9	11.6	177.4	0	0	0	0	0	115.2
98	L	89.7	Confident	89.3	Confident	18 Å²	18	57.1 Å²	57.1	9%	0.094	30%	0.299	C	S	.	.			trans	-119.9	148.1	176.8	-70	179.6	0	0	0	110.8	I58 L95 A128 F131 L132	I58-L98 HydrophobicContact CD1-CB 3.61Å; I58-L98 HydrophobicContact CD1-CD1 4.37Å; I58-L98 WeakPolarHBondContact CG2-O 3.36Å; L95-L98 HydrophobicContact CB-CD1 4.39Å; L95-L98 HydrophobicContact CD1-CD1 4.24Å; L98-A128 HydrophobicContact CD2-CB 4.06Å; L98-F131 HydrophobicContact CD1-CD1 3.68Å; L98-F131 HydrophobicContact CD1-CE1 3.94Å; L98-F131 HydrophobicContact CD2-CB 3.74Å; L98-F131 HydrophobicContact CD2-CD1 3.79Å; L98-F131 HydrophobicContact CD2-CG 3.77Å; L98-F131 HydrophobicContact CG-CD1 3.83Å; L98-F131 HydrophobicContact CG-CE1 4.14Å; L98-F131 HydrophobicContact CG-CG 4.22Å; L98-L132 HydrophobicContact CD1-CD1 4.15Å; L98-L132 HydrophobicContact CD1-CD2 4.03Å; L98-L132 HydrophobicContact CD1-CG 4.09Å
99	S	92.6	Very high	90.3	Very high	36 Å²	36	57.3 Å²	57.3	25%	0.252	30%	0.297	S	S	.	.			trans	-83	145.3	166.8	67.2	0	0	0	0	110.5	R101 G102 L103 D124	S99-R101 VanDerWaalsContact C-N 3.25Å; S99-R101 PolarHBondContact O-N 3.41Å; S99-G102 PolarHBondContact O-N 3.48Å; S99-G102 PolarHBondContact OG-N 2.77Å; S99-L103 PolarHBondContact O-N 3.5Å; S99-D124 VanDerWaalsContact CB-OD1 3.22Å; S99-D124 WeakPolarHBondContact CB-OD1 3.37Å; S99-D124 VanDerWaalsContact OG-CB 3.29Å; S99-D124 WeakPolarHBondContact OG-CB 3.34Å; S99-D124 PolarHBondContact OG-OD1 3.36Å
100	A	92.6	Very high	91.1	Very high	10 Å²	10	50.8 Å²	50.8	8%	0.083	26%	0.264	C	S	.	.	H	α-helix	trans	-63.8	-34.4	178.1	0	0	0	0	0	111.7	I58 E61 F63 L103 K104	I58-A100 HydrophobicContact CG2-CB 4.27Å; E61-A100 HydrophobicContact CB-CB 4.08Å; E61-A100 HydrophobicContact CG-CB 4.13Å; E61-A100 WeakPolarHBondContact OE1-CB 3.42Å; E61-A100 WeakPolarHBondContact OE2-CB 3.18Å; F63-A100 HydrophobicContact CE2-CB 4.43Å; F63-A100 HydrophobicContact CZ-CB 4.39Å; A100-L103 PolarHBondContact O-N 2.94Å; A100-K104 WeakPolarHBondContact O-CB 3.29Å; A100-K104 PolarHBondContact O-N 3.07Å
101	R	93.3	Very high	91.7	Very high	102 Å²	102	47.3 Å²	47.3	39%	0.385	25%	0.247	S	C	.	.	H	α-helix	trans	-59.1	-52	172.6	-171.3	-178	-174.3	-175.3	5.1	111.4	S99 L103 K104 H105 D118 D120 C121	S99-R101 VanDerWaalsContact C-N 3.25Å; S99-R101 PolarHBondContact O-N 3.41Å; R101-L103 PolarHBondContact O-N 3.27Å; R101-K104 WeakPolarHBondContact O-CB 3.03Å; R101-K104 PolarHBondContact O-N 2.95Å; R101-H105 PolarHBondContact O-CD2 3.02Å; R101-H105 PolarHBondContact O-N 3.15Å; R101-D118 IonicContact NH2-OD1 3.48Å; R101-D118 IonicContact NH2-OD2 3.52Å; R101-D120 PolarHBondContact NH1-O 3.48Å; R101-D120 VanDerWaalsContact NH1-O 3.08Å; R101-C121 VanDerWaalsContact NH2-CB 3.29Å
102	G	93.7	Very high	92.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.9	-48.4	178.2	0	0	0	0	0	111.9	S99 K104 H105 I106	S99-G102 PolarHBondContact O-N 3.48Å; S99-G102 PolarHBondContact OG-N 2.77Å; G102-K104 VanDerWaalsContact C-N 3.32Å; G102-K104 PolarHBondContact O-N 2.99Å; G102-H105 PolarHBondContact O-N 3.28Å; G102-I106 WeakPolarHBondContact O-CG1 3.4Å; G102-I106 PolarHBondContact O-N 3.39Å; G102-I106 VanDerWaalsContact O-N 3.12Å
103	L	94.6	Very high	92.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.8	-43.2	177.6	179.4	64.7	0	0	0	112	L56 I58 F63 L95 S99 A100 R101 H105 I106 I107 L132	L56-L103 HydrophobicContact CB-CD2 4.16Å; L56-L103 HydrophobicContact CD1-CD1 4.23Å; L56-L103 HydrophobicContact CD1-CD2 4.38Å; I58-L103 HydrophobicContact CD1-CB 3.67Å; I58-L103 HydrophobicContact CD1-CD2 3.37Å; I58-L103 HydrophobicContact CD1-CG 4.07Å; I58-L103 HydrophobicContact CG1-CD2 3.9Å; F63-L103 HydrophobicContact CD2-CD2 3.68Å; F63-L103 HydrophobicContact CD2-CG 4.46Å; F63-L103 HydrophobicContact CE2-CD2 3.96Å; F63-L103 HydrophobicContact CG-CD2 4.46Å; L95-L103 HydrophobicContact CD1-CD1 4.23Å; L95-L103 HydrophobicContact CD1-CD2 4.19Å; S99-L103 PolarHBondContact O-N 3.5Å; A100-L103 PolarHBondContact O-N 2.94Å; R101-L103 PolarHBondContact O-N 3.27Å; L103-H105 PolarHBondContact O-N 3.45Å; L103-I106 PolarHBondContact O-N 3.3Å; L103-I107 HydrophobicContact CD1-CD1 3.99Å; L103-I107 HydrophobicContact CD1-CG1 4.04Å; L103-I107 HydrophobicContact CD2-CD1 4.16Å; L103-I107 HydrophobicContact CG-CD1 3.72Å; L103-I107 HydrophobicContact CG-CG1 4.21Å; L103-I107 VanDerWaalsContact O-CG1 3.31Å; L103-I107 WeakPolarHBondContact O-CG1 3.34Å; L103-I107 PolarHBondContact O-N 3Å; L103-L132 HydrophobicContact CD1-CD1 3.82Å
104	K	94.2	Very high	92.5	Very high	108 Å²	108	49.7 Å²	49.7	47%	0.47	27%	0.271	S	S	.	.	H	α-helix	trans	-56.7	-48.2	178.2	-177.7	-179.2	175.6	-175.9	0	111.6	F63 A100 R101 G102 I106 I107 D108	F63-K104 HydrophobicContact CE1-CB 3.9Å; F63-K104 HydrophobicContact CE1-CG 4.17Å; F63-K104 HydrophobicContact CZ-CB 4.22Å; A100-K104 WeakPolarHBondContact O-CB 3.29Å; A100-K104 PolarHBondContact O-N 3.07Å; R101-K104 WeakPolarHBondContact O-CB 3.03Å; R101-K104 PolarHBondContact O-N 2.95Å; G102-K104 VanDerWaalsContact C-N 3.32Å; G102-K104 PolarHBondContact O-N 2.99Å; K104-I106 VanDerWaalsContact C-N 3.34Å; K104-I106 PolarHBondContact O-N 3.36Å; K104-I107 PolarHBondContact O-N 3.21Å; K104-D108 WeakPolarHBondContact O-CB 3.42Å; K104-D108 VanDerWaalsContact O-CG 3.24Å; K104-D108 PolarHBondContact O-N 2.83Å
105	H	94.9	Very high	92.7	Very high	43 Å²	43	45 Å²	45	20%	0.199	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-39.7	177.5	-78.1	-78.1	0	0	0	112.8	R101 G102 L103 D108 F109 V115 V125	R101-H105 PolarHBondContact O-CD2 3.02Å; R101-H105 PolarHBondContact O-N 3.15Å; G102-H105 PolarHBondContact O-N 3.28Å; L103-H105 PolarHBondContact O-N 3.45Å; H105-D108 PolarHBondContact O-N 3.12Å; H105-F109 WeakPolarHBondContact O-CB 3.21Å; H105-F109 PolarHBondContact O-N 3.25Å; H105-V115 HydrophobicContact CB-CG2 4.49Å; H105-V125 HydrophobicContact CB-CG1 4.3Å; H105-V125 HydrophobicContact CB-CG2 3.76Å
106	I	95.6	Very high	92.9	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-64.9	-43.5	176.7	-63.1	-56.5	0	0	0	111.6	G102 L103 K104 A110 V125 A128 A129 L132 M134 V137	G102-I106 WeakPolarHBondContact O-CG1 3.4Å; G102-I106 PolarHBondContact O-N 3.39Å; G102-I106 VanDerWaalsContact O-N 3.12Å; L103-I106 PolarHBondContact O-N 3.3Å; K104-I106 VanDerWaalsContact C-N 3.34Å; K104-I106 PolarHBondContact O-N 3.36Å; I106-A110 PolarHBondContact O-N 3.43Å; I106-V125 HydrophobicContact CD1-CG1 4.48Å; I106-A128 HydrophobicContact CD1-CB 4.43Å; I106-A128 HydrophobicContact CG1-CB 3.65Å; I106-A129 HydrophobicContact CD1-CB 3.79Å; I106-L132 HydrophobicContact CB-CD1 4.28Å; I106-L132 HydrophobicContact CG1-CD1 4.35Å; I106-L132 HydrophobicContact CG2-CD1 3.83Å; I106-M134 HydrophobicContact CG2-CE 3.89Å; I106-M134 HydrophobicContact CG2-CG 3.81Å; I106-M134 HydrophobicContact CG2-SD 4.34Å; I106-V137 HydrophobicContact CD1-CB 4.23Å; I106-V137 HydrophobicContact CD1-CG1 3.81Å; I106-V137 HydrophobicContact CD1-CG2 4.26Å
107	I	94.7	Very high	93.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.1	-45.6	177.4	-60.9	168.2	0	0	0	109.6	R46 L56 F63 V65 L103 K104 F109 A110 Y111	R46-I107 VanDerWaalsContact NH2-CG2 3.25Å; L56-I107 HydrophobicContact CD1-CD1 4.25Å; F63-I107 HydrophobicContact CB-CD1 3.6Å; F63-I107 HydrophobicContact CD1-CD1 4.11Å; F63-I107 HydrophobicContact CD2-CD1 4.47Å; F63-I107 HydrophobicContact CG-CD1 3.81Å; V65-I107 HydrophobicContact CG1-CD1 3.97Å; V65-I107 HydrophobicContact CG1-CG1 4.32Å; V65-I107 HydrophobicContact CG1-CG2 3.5Å; L103-I107 HydrophobicContact CD1-CD1 3.99Å; L103-I107 HydrophobicContact CD1-CG1 4.04Å; L103-I107 HydrophobicContact CD2-CD1 4.16Å; L103-I107 HydrophobicContact CG-CD1 3.72Å; L103-I107 HydrophobicContact CG-CG1 4.21Å; L103-I107 VanDerWaalsContact O-CG1 3.31Å; L103-I107 WeakPolarHBondContact O-CG1 3.34Å; L103-I107 PolarHBondContact O-N 3Å; K104-I107 PolarHBondContact O-N 3.21Å; I107-F109 VanDerWaalsContact C-N 3.31Å; I107-F109 PolarHBondContact O-N 2.86Å; I107-A110 WeakPolarHBondContact O-CB 3.4Å; I107-A110 PolarHBondContact O-N 2.85Å; I107-Y111 HydrophobicContact CG2-CD2 4Å; I107-Y111 HydrophobicContact CG2-CE2 3.94Å; I107-Y111 VanDerWaalsContact O-CD2 3.29Å; I107-Y111 WeakPolarHBondContact O-CD2 3.37Å; I107-Y111 PolarHBondContact O-N 3.19Å
108	D	94.4	Very high	93.7	Very high	58 Å²	58	43.3 Å²	43.3	31%	0.31	23%	0.234	S	C	.	.	H	α-helix	trans	-60.8	-43.2	-179.6	-68.7	-15.4	0	0	0	110.7	R46 K104 H105 A110 Y111 S112	R46-D108 IonicContact CZ-OD1 3.75Å; R46-D108 IonicContact NH1-OD1 3.03Å; R46-D108 PolarHBondContact NH1-OD1 3.03Å; R46-D108 IonicContact NH2-OD1 3.56Å; K104-D108 WeakPolarHBondContact O-CB 3.42Å; K104-D108 VanDerWaalsContact O-CG 3.24Å; K104-D108 PolarHBondContact O-N 2.83Å; H105-D108 PolarHBondContact O-N 3.12Å; D108-A110 VanDerWaalsContact C-N 3.32Å; D108-A110 PolarHBondContact O-N 3.04Å; D108-Y111 CarbonylContact O-C 3.56Å; D108-Y111 PolarHBondContact O-N 3.26Å; D108-S112 WeakPolarHBondContact O-CB 3.42Å; D108-S112 PolarHBondContact O-N 3.25Å; D108-S112 PolarHBondContact O-OG 3.35Å
109	F	95.7	Very high	93.6	Very high	27 Å²	27	47 Å²	47	12%	0.118	25%	0.253	C	S	.	.	H	α-helix	trans	-57.1	-41	171.2	176.5	-91.6	0	0	0	112.9	H105 I107 Y111 S112 A113 V115 M134 P136 V137 L140	H105-F109 WeakPolarHBondContact O-CB 3.21Å; H105-F109 PolarHBondContact O-N 3.25Å; I107-F109 VanDerWaalsContact C-N 3.31Å; I107-F109 PolarHBondContact O-N 2.86Å; F109-Y111 PolarHBondContact O-N 3.28Å; F109-Y111 VanDerWaalsContact O-N 3.13Å; F109-S112 PolarHBondContact O-N 3.43Å; F109-A113 WeakPolarHBondContact O-CA 3.35Å; F109-A113 PolarHBondContact O-N 2.91Å; F109-V115 HydrophobicContact CD2-CB 4.07Å; F109-V115 HydrophobicContact CD2-CG1 4.3Å; F109-M134 HydrophobicContact CD1-CE 3.46Å; F109-M134 VanDerWaalsContact CD1-CE 3.46Å; F109-M134 HydrophobicContact CE1-CE 3.86Å; F109-P136 HydrophobicContact CZ-CB 4.16Å; F109-V137 HydrophobicContact CB-CG2 4.39Å; F109-V137 HydrophobicContact CD1-CG2 3.4Å; F109-V137 HydrophobicContact CD2-CG2 4.01Å; F109-V137 HydrophobicContact CE1-CG2 3.5Å; F109-V137 HydrophobicContact CE2-CG2 4.1Å; F109-V137 HydrophobicContact CG-CG2 3.66Å; F109-V137 HydrophobicContact CZ-CG2 3.86Å; F109-L140 HydrophobicContact CE2-CD1 4.09Å
110	A	95.3	Very high	93.5	Very high	10 Å²	10	51.4 Å²	51.4	8%	0.083	27%	0.274	C	S	.	.	H	α-helix	trans	-61.8	-21.4	177.8	0	0	0	0	0	113.5	L39 V69 L70 I106 I107 D108	L39-A110 WeakPolarHBondContact CD1-O 3.48Å; V69-A110 HydrophobicContact CG1-CB 4.26Å; V69-A110 WeakPolarHBondContact CG1-O 3.24Å; L70-A110 HydrophobicContact CD2-CB 4.03Å; I106-A110 PolarHBondContact O-N 3.43Å; I107-A110 WeakPolarHBondContact O-CB 3.4Å; I107-A110 PolarHBondContact O-N 2.85Å; D108-A110 VanDerWaalsContact C-N 3.32Å; D108-A110 PolarHBondContact O-N 3.04Å
111	Y	95	Very high	93.5	Very high	4 Å²	4	51 Å²	51	2%	0.016	27%	0.27	C	S	.	.	H	α-helix	trans	-109.7	-13.6	179.1	-73	-82.3	0	0	0	114.5	L39 L42 R46 H66 V69 I107 D108 F109	L39-Y111 WeakPolarHBondContact CG-O 3.36Å; L42-Y111 HydrophobicContact CB-CD1 4.13Å; L42-Y111 HydrophobicContact CB-CE1 4.17Å; R46-Y111 HydrophobicContact CB-CD1 4.43Å; R46-Y111 HydrophobicContact CB-CE1 4.16Å; R46-Y111 VanDerWaalsContact CD-CE2 3.41Å; H66-Y111 VanDerWaalsContact CB-OH 3.27Å; H66-Y111 WeakPolarHBondContact CB-OH 3.42Å; H66-Y111 PolarHBondContact N-OH 3.21Å; H66-Y111 AromaticContact ND1-CE1 3.59Å; H66-Y111 AromaticContact ND1-CZ 3.57Å; H66-Y111 PolarHBondContact ND1-OH 3.02Å; V69-Y111 HydrophobicContact CB-CE1 4.1Å; V69-Y111 HydrophobicContact CG1-CD1 4.27Å; V69-Y111 HydrophobicContact CG1-CE1 3.85Å; V69-Y111 HydrophobicContact CG1-CE2 4.08Å; V69-Y111 HydrophobicContact CG2-CE1 3.8Å; I107-Y111 HydrophobicContact CG2-CD2 4Å; I107-Y111 HydrophobicContact CG2-CE2 3.94Å; I107-Y111 VanDerWaalsContact O-CD2 3.29Å; I107-Y111 WeakPolarHBondContact O-CD2 3.37Å; I107-Y111 PolarHBondContact O-N 3.19Å; D108-Y111 CarbonylContact O-C 3.56Å; D108-Y111 PolarHBondContact O-N 3.26Å; F109-Y111 PolarHBondContact O-N 3.28Å; F109-Y111 VanDerWaalsContact O-N 3.13Å
112	S	93.3	Very high	93.5	Very high	50 Å²	50	46.2 Å²	46.2	35%	0.35	25%	0.253	S	S	.	.	H	α-helix	trans	-115.2	-22.6	-179.6	65.5	0	0	0	0	113.9	D108 F109 E114	D108-S112 WeakPolarHBondContact O-CB 3.42Å; D108-S112 PolarHBondContact O-N 3.25Å; D108-S112 PolarHBondContact O-OG 3.35Å; F109-S112 PolarHBondContact O-N 3.43Å; S112-E114 PolarHBondContact O-N 3.4Å; S112-E114 PolarHBondContact OG-N 3.32Å; S112-E114 PolarHBondContact OG-O 2.93Å
113	A	92.1	Very high	93.6	Very high	63 Å²	63	52 Å²	52	52%	0.521	28%	0.28	S	S	.	.	S	Bend	trans	58.5	18.5	-162.7	0	0	0	0	0	114.1	L39 F109	L39-A113 HydrophobicContact CD2-CB 3.83Å; F109-A113 WeakPolarHBondContact O-CA 3.35Å; F109-A113 PolarHBondContact O-N 2.91Å
114	E	92.9	Very high	93.6	Very high	149 Å²	149	54.6 Å²	54.6	70%	0.696	29%	0.294	S	S	*	.			trans	-126.8	138.6	-178.8	-66	179.4	176.7	0	0	110.2	S112	S112-E114 PolarHBondContact O-N 3.4Å; S112-E114 PolarHBondContact OG-N 3.32Å; S112-E114 PolarHBondContact OG-O 2.93Å
115	V	94.1	Very high	93.6	Very high	31 Å²	31	49.5 Å²	49.5	19%	0.188	27%	0.271	C	S	.	.			trans	-133.8	132.5	174	64.5	0	0	0	0	109.3	H105 F109 L117 V125 L140	H105-V115 HydrophobicContact CB-CG2 4.49Å; F109-V115 HydrophobicContact CD2-CB 4.07Å; F109-V115 HydrophobicContact CD2-CG1 4.3Å; V115-L117 HydrophobicContact CG1-CD2 4.5Å; V115-L117 HydrophobicContact CG1-CG 4.33Å; V115-L117 HydrophobicContact CG2-CD2 3.79Å; V115-L117 HydrophobicContact CG2-CG 4.33Å; V115-V125 HydrophobicContact CG2-CG1 4.22Å; V115-L140 HydrophobicContact CG1-CD1 3.86Å
116	T	92.6	Very high	93.7	Very high	108 Å²	108	47.4 Å²	47.4	66%	0.663	26%	0.262	S	S	*	.			trans	-98.1	124	173.7	-50.6	0	0	0	0	108.6
117	L	93.6	Very high	93.6	Very high	31 Å²	31	48.1 Å²	48.1	16%	0.162	27%	0.269	C	S	.	.			trans	-116.5	138.9	-176.8	-59.6	175.9	0	0	0	110.3	V115 I122 V125 F144	V115-L117 HydrophobicContact CG1-CD2 4.5Å; V115-L117 HydrophobicContact CG1-CG 4.33Å; V115-L117 HydrophobicContact CG2-CD2 3.79Å; V115-L117 HydrophobicContact CG2-CG 4.33Å; L117-I122 HydrophobicContact CB-CD1 4.38Å; L117-I122 HydrophobicContact CD1-CD1 4.02Å; L117-I122 HydrophobicContact CD2-CD1 3.92Å; L117-I122 HydrophobicContact CG-CD1 4.33Å; L117-V125 HydrophobicContact CD2-CB 4.17Å; L117-V125 HydrophobicContact CD2-CG1 3.82Å; L117-V125 HydrophobicContact CD2-CG2 4.37Å; L117-F144 HydrophobicContact CB-CD1 4.05Å; L117-F144 HydrophobicContact CB-CD2 4.24Å; L117-F144 HydrophobicContact CB-CE1 4.29Å; L117-F144 HydrophobicContact CB-CE2 4.47Å; L117-F144 HydrophobicContact CB-CG 4.02Å; L117-F144 HydrophobicContact CB-CZ 4.5Å; L117-F144 HydrophobicContact CD1-CB 3.82Å; L117-F144 HydrophobicContact CD1-CD1 4.49Å; L117-F144 HydrophobicContact CD1-CG 4.17Å
118	D	92.1	Very high	93.6	Very high	60 Å²	60	48.2 Å²	48.2	32%	0.321	27%	0.27	S	S	.	.			trans	-141.5	167.1	172.2	60.8	49.4	0	0	0	109	R101 D120 C121 I122	R101-D118 IonicContact NH2-OD1 3.48Å; R101-D118 IonicContact NH2-OD2 3.52Å; D118-D120 PolarHBondContact O-N 2.94Å; D118-D120 WeakPolarHBondContact OD1-CA 3.36Å; D118-D120 WeakPolarHBondContact OD1-CB 3.29Å; D118-D120 PolarHBondContact OD1-N 3.44Å; D118-C121 PolarHBondContact N-SG 3.29Å; D118-C121 PolarHBondContact O-N 3.26Å; D118-C121 VanDerWaalsContact OD1-CB 3.3Å; D118-C121 WeakPolarHBondContact OD1-CB 3.46Å; D118-C121 PolarHBondContact OD1-N 2.99Å; D118-C121 PolarHBondContact OD1-SG 3.29Å; D118-I122 VanDerWaalsContact O-CB 3.24Å; D118-I122 WeakPolarHBondContact O-CB 3.43Å; D118-I122 WeakPolarHBondContact O-CG2 3.3Å; D118-I122 PolarHBondContact O-N 3.49Å
119	L	87.7	Confident	93.7	Very high	95 Å²	95	45.4 Å²	45.4	50%	0.497	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.2	-178.1	-68	175.7	0	0	0	113.3	F144 A148 T153	L119-F144 HydrophobicContact CD2-CE1 4.26Å; L119-A148 HydrophobicContact CD2-CB 4.21Å; L119-T153 HydrophobicContact CD1-CG2 4.13Å
120	D	90.4	Very high	93.6	Very high	130 Å²	130	46.7 Å²	46.7	70%	0.695	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-27.9	-179.2	-60.7	-31	0	0	0	112.3	R101 D118	R101-D120 PolarHBondContact NH1-O 3.48Å; R101-D120 VanDerWaalsContact NH1-O 3.08Å; D118-D120 PolarHBondContact O-N 2.94Å; D118-D120 WeakPolarHBondContact OD1-CA 3.36Å; D118-D120 WeakPolarHBondContact OD1-CB 3.29Å; D118-D120 PolarHBondContact OD1-N 3.44Å
121	C	92.9	Very high	93.6	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-20.8	-176.5	81.4	0	0	0	0	113.3	R101 D118 Q123 D124 V125	R101-C121 VanDerWaalsContact NH2-CB 3.29Å; D118-C121 PolarHBondContact N-SG 3.29Å; D118-C121 PolarHBondContact O-N 3.26Å; D118-C121 VanDerWaalsContact OD1-CB 3.3Å; D118-C121 WeakPolarHBondContact OD1-CB 3.46Å; D118-C121 PolarHBondContact OD1-N 2.99Å; D118-C121 PolarHBondContact OD1-SG 3.29Å; C121-Q123 VanDerWaalsContact C-N 3.26Å; C121-Q123 PolarHBondContact O-N 3.43Å; C121-Q123 VanDerWaalsContact O-N 3.16Å; C121-D124 WeakPolarHBondContact O-CB 3.37Å; C121-D124 PolarHBondContact O-N 3Å; C121-V125 HydrophobicContact CB-CG2 4.34Å; C121-V125 WeakPolarHBondContact O-CG2 3.47Å; C121-V125 PolarHBondContact O-N 3.02Å
122	I	94.7	Very high	93.6	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.015	28%	0.277	C	S	.	.	H	α-helix	trans	-57.7	-37.4	-169.2	-172.3	61.1	0	0	0	113	L117 D118 V125 L126 C141 F144 L145 M160	L117-I122 HydrophobicContact CB-CD1 4.38Å; L117-I122 HydrophobicContact CD1-CD1 4.02Å; L117-I122 HydrophobicContact CD2-CD1 3.92Å; L117-I122 HydrophobicContact CG-CD1 4.33Å; D118-I122 VanDerWaalsContact O-CB 3.24Å; D118-I122 WeakPolarHBondContact O-CB 3.43Å; D118-I122 WeakPolarHBondContact O-CG2 3.3Å; D118-I122 PolarHBondContact O-N 3.49Å; I122-V125 PolarHBondContact O-N 3.22Å; I122-L126 WeakPolarHBondContact O-CB 3.41Å; I122-L126 PolarHBondContact O-N 2.94Å; I122-C141 HydrophobicContact CD1-CB 3.7Å; I122-F144 HydrophobicContact CB-CE1 4.4Å; I122-F144 HydrophobicContact CD1-CD1 3.88Å; I122-F144 HydrophobicContact CD1-CE1 4.5Å; I122-F144 HydrophobicContact CG1-CD1 4.08Å; I122-F144 HydrophobicContact CG1-CE1 4.38Å; I122-L145 HydrophobicContact CD1-CG 4.49Å; I122-L145 HydrophobicContact CG1-CD1 4.19Å; I122-L145 HydrophobicContact CG1-CD2 3.79Å; I122-L145 HydrophobicContact CG1-CG 3.94Å; I122-L145 HydrophobicContact CG2-CD2 4.32Å; I122-M160 HydrophobicContact CG1-CE 4.11Å; I122-M160 HydrophobicContact CG2-CE 4.02Å; I122-M160 HydrophobicContact CG2-SD 4.34Å
123	Q	94.1	Very high	93.7	Very high	122 Å²	122	52.1 Å²	52.1	57%	0.57	28%	0.282	S	S	*	.	H	α-helix	trans	-66.6	-41	177.9	-174.2	177.5	-6.2	0	0	112.3	C121 G127 M160 F164	C121-Q123 VanDerWaalsContact C-N 3.26Å; C121-Q123 PolarHBondContact O-N 3.43Å; C121-Q123 VanDerWaalsContact O-N 3.16Å; Q123-G127 PolarHBondContact O-N 3.18Å; Q123-M160 HydrophobicContact CB-CE 4.01Å; Q123-M160 HydrophobicContact CB-SD 4.4Å; Q123-F164 HydrophobicContact CG-CE2 4.42Å; Q123-F164 HydrophobicContact CG-CZ 4.47Å
124	D	94.4	Very high	93.8	Very high	54 Å²	54	49.2 Å²	49.2	29%	0.289	26%	0.258	S	S	.	.	H	α-helix	trans	-64.7	-47.6	175.7	-76.3	-44.4	0	0	0	111.5	S99 C121 A128	S99-D124 VanDerWaalsContact CB-OD1 3.22Å; S99-D124 WeakPolarHBondContact CB-OD1 3.37Å; S99-D124 VanDerWaalsContact OG-CB 3.29Å; S99-D124 WeakPolarHBondContact OG-CB 3.34Å; S99-D124 PolarHBondContact OG-OD1 3.36Å; C121-D124 WeakPolarHBondContact O-CB 3.37Å; C121-D124 PolarHBondContact O-N 3Å; D124-A128 WeakPolarHBondContact O-CB 3.36Å; D124-A128 PolarHBondContact O-N 3.38Å
125	V	95.9	Very high	93.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67	-46.3	-178.3	180	0	0	0	0	110.7	H105 I106 V115 L117 C121 I122 G127 A128 A129 V137	H105-V125 HydrophobicContact CB-CG1 4.3Å; H105-V125 HydrophobicContact CB-CG2 3.76Å; I106-V125 HydrophobicContact CD1-CG1 4.48Å; V115-V125 HydrophobicContact CG2-CG1 4.22Å; L117-V125 HydrophobicContact CD2-CB 4.17Å; L117-V125 HydrophobicContact CD2-CG1 3.82Å; L117-V125 HydrophobicContact CD2-CG2 4.37Å; C121-V125 HydrophobicContact CB-CG2 4.34Å; C121-V125 WeakPolarHBondContact O-CG2 3.47Å; C121-V125 PolarHBondContact O-N 3.02Å; I122-V125 PolarHBondContact O-N 3.22Å; V125-G127 PolarHBondContact O-N 2.88Å; V125-A128 PolarHBondContact O-N 3.44Å; V125-A129 WeakPolarHBondContact O-CB 3.49Å; V125-A129 PolarHBondContact O-N 3.27Å; V125-V137 HydrophobicContact CG1-CG1 3.97Å
126	L	95.5	Very high	93.9	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63	-43.3	178.1	179.3	59.9	0	0	0	111.3	I122 A128 A129 V130 V138 C141 L145 M160 F164 L166	I122-L126 WeakPolarHBondContact O-CB 3.41Å; I122-L126 PolarHBondContact O-N 2.94Å; L126-A128 VanDerWaalsContact C-N 3.34Å; L126-A128 PolarHBondContact O-N 2.75Å; L126-A129 PolarHBondContact O-N 2.8Å; L126-V130 HydrophobicContact CD1-CG2 3.95Å; L126-V130 HydrophobicContact CG-CG2 4.45Å; L126-V130 WeakPolarHBondContact O-CG2 3.46Å; L126-V130 PolarHBondContact O-N 3.26Å; L126-V138 HydrophobicContact CD1-CG1 4.15Å; L126-C141 HydrophobicContact CB-CB 4.39Å; L126-C141 HydrophobicContact CD1-CB 3.87Å; L126-L145 HydrophobicContact CD2-CD1 4.04Å; L126-M160 HydrophobicContact CD2-CE 3.76Å; L126-F164 HydrophobicContact CB-CE2 4.38Å; L126-F164 HydrophobicContact CD2-CB 4.42Å; L126-F164 HydrophobicContact CD2-CD2 3.34Å; L126-F164 HydrophobicContact CD2-CE2 3.79Å; L126-F164 HydrophobicContact CD2-CG 4.05Å; L126-F164 HydrophobicContact CG-CD2 3.7Å; L126-F164 HydrophobicContact CG-CE2 4Å; L126-F164 HydrophobicContact CG-CG 4.04Å; L126-L166 HydrophobicContact CD1-CD1 4.11Å; L126-L166 HydrophobicContact CD2-CD1 3.82Å
127	G	94.6	Very high	94	Very high	16 Å²	16	42.9 Å²	42.9	17%	0.165	23%	0.23	C	C	.	.	H	α-helix	trans	-60.5	-42.9	175.8	0	0	0	0	0	112.8	Q123 V125 F131	Q123-G127 PolarHBondContact O-N 3.18Å; V125-G127 PolarHBondContact O-N 2.88Å; G127-F131 VanDerWaalsContact O-CB 3.22Å; G127-F131 WeakPolarHBondContact O-CB 3.36Å; G127-F131 PolarHBondContact O-N 3.21Å
128	A	95.3	Very high	94.1	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.008	23%	0.229	C	C	.	.	H	α-helix	trans	-66.2	-41.9	174.6	0	0	0	0	0	112.8	L98 I106 D124 V125 L126 L132	L98-A128 HydrophobicContact CD2-CB 4.06Å; I106-A128 HydrophobicContact CD1-CB 4.43Å; I106-A128 HydrophobicContact CG1-CB 3.65Å; D124-A128 WeakPolarHBondContact O-CB 3.36Å; D124-A128 PolarHBondContact O-N 3.38Å; V125-A128 PolarHBondContact O-N 3.44Å; L126-A128 VanDerWaalsContact C-N 3.34Å; L126-A128 PolarHBondContact O-N 2.75Å; A128-L132 WeakPolarHBondContact O-CB 3.41Å; A128-L132 VanDerWaalsContact O-CG 3.25Å; A128-L132 WeakPolarHBondContact O-CG 3.41Å; A128-L132 PolarHBondContact O-N 2.86Å
129	A	95.6	Very high	94.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.6	-46.3	179.3	0	0	0	0	0	112.1	I106 V125 L126 Q133 M134 V137 V138	I106-A129 HydrophobicContact CD1-CB 3.79Å; V125-A129 WeakPolarHBondContact O-CB 3.49Å; V125-A129 PolarHBondContact O-N 3.27Å; L126-A129 PolarHBondContact O-N 2.8Å; A129-Q133 PolarHBondContact O-N 3.3Å; A129-M134 HydrophobicContact CB-CB 4.48Å; A129-M134 PolarHBondContact O-N 2.71Å; A129-V137 HydrophobicContact CB-CB 3.91Å; A129-V137 HydrophobicContact CB-CG1 3.86Å; A129-V138 HydrophobicContact CB-CG2 3.68Å
130	V	94.6	Very high	94.6	Very high	54 Å²	54	42.2 Å²	42.2	33%	0.327	23%	0.228	S	C	.	.	H	α-helix	trans	-66.2	-48.2	179.1	172.2	0	0	0	0	110.8	L126 L132 Q133 V138 F164	L126-V130 HydrophobicContact CD1-CG2 3.95Å; L126-V130 HydrophobicContact CG-CG2 4.45Å; L126-V130 WeakPolarHBondContact O-CG2 3.46Å; L126-V130 PolarHBondContact O-N 3.26Å; V130-L132 VanDerWaalsContact C-N 3.35Å; V130-L132 PolarHBondContact O-N 3.32Å; V130-Q133 PolarHBondContact O-N 3.2Å; V130-Q133 VanDerWaalsContact O-N 3.17Å; V130-V138 HydrophobicContact CG2-CG1 4.35Å; V130-V138 HydrophobicContact CG2-CG2 3.81Å; V130-F164 HydrophobicContact CB-CD1 4.44Å; V130-F164 HydrophobicContact CG2-CB 4.29Å; V130-F164 HydrophobicContact CG2-CD1 4.37Å
131	F	94.4	Very high	94.8	Very high	80 Å²	80	36 Å²	36	35%	0.351	20%	0.195	S	C	.	.	H	α-helix	trans	-61.6	-42.9	179.8	-178.6	-86.2	0	0	0	112.2	Y76 L98 G127 Q133	Y76-F131 HydrophobicContact CE1-CE1 4.33Å; Y76-F131 HydrophobicContact CE2-CE1 4.18Å; Y76-F131 HydrophobicContact CE2-CZ 4.49Å; Y76-F131 AromaticContact CZ-CE1 3.88Å; L98-F131 HydrophobicContact CD1-CD1 3.68Å; L98-F131 HydrophobicContact CD1-CE1 3.94Å; L98-F131 HydrophobicContact CD2-CB 3.74Å; L98-F131 HydrophobicContact CD2-CD1 3.79Å; L98-F131 HydrophobicContact CD2-CG 3.77Å; L98-F131 HydrophobicContact CG-CD1 3.83Å; L98-F131 HydrophobicContact CG-CE1 4.14Å; L98-F131 HydrophobicContact CG-CG 4.22Å; G127-F131 VanDerWaalsContact O-CB 3.22Å; G127-F131 WeakPolarHBondContact O-CB 3.36Å; G127-F131 PolarHBondContact O-N 3.21Å; F131-Q133 VanDerWaalsContact C-N 3.27Å; F131-Q133 PolarHBondContact O-N 3.1Å
132	L	94.7	Very high	95	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	4.8	179.5	-60.6	172.2	0	0	0	113.1	S74 Y76 F77 L98 L103 I106 A128 V130 M134	S74-L132 WeakPolarHBondContact CB-O 3.36Å; S74-L132 PolarHBondContact OG-O 3.31Å; Y76-L132 WeakPolarHBondContact CB-O 3.29Å; Y76-L132 HydrophobicContact CD1-CD2 3.6Å; Y76-L132 HydrophobicContact CE1-CD2 3.84Å; Y76-L132 HydrophobicContact CG-CD2 4.35Å; F77-L132 HydrophobicContact CE1-CD2 4.32Å; F77-L132 HydrophobicContact CE2-CB 4.5Å; F77-L132 HydrophobicContact CE2-CD1 4.02Å; F77-L132 HydrophobicContact CE2-CD2 3.74Å; F77-L132 HydrophobicContact CE2-CG 4.3Å; F77-L132 HydrophobicContact CZ-CD1 4.27Å; F77-L132 HydrophobicContact CZ-CD2 3.6Å; L98-L132 HydrophobicContact CD1-CD1 4.15Å; L98-L132 HydrophobicContact CD1-CD2 4.03Å; L98-L132 HydrophobicContact CD1-CG 4.09Å; L103-L132 HydrophobicContact CD1-CD1 3.82Å; I106-L132 HydrophobicContact CB-CD1 4.28Å; I106-L132 HydrophobicContact CG1-CD1 4.35Å; I106-L132 HydrophobicContact CG2-CD1 3.83Å; A128-L132 WeakPolarHBondContact O-CB 3.41Å; A128-L132 VanDerWaalsContact O-CG 3.25Å; A128-L132 WeakPolarHBondContact O-CG 3.41Å; A128-L132 PolarHBondContact O-N 2.86Å; V130-L132 VanDerWaalsContact C-N 3.35Å; V130-L132 PolarHBondContact O-N 3.32Å; L132-M134 VanDerWaalsContact C-N 3.29Å; L132-M134 HydrophobicContact CB-CG 4.25Å; L132-M134 PolarHBondContact O-N 3.07Å
133	Q	94.9	Very high	95	Very high	98 Å²	98	43.1 Å²	43.1	46%	0.458	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	41	178.5	-56.7	179.9	-1	0	0	113.5	D75 A129 V130 F131 V135	D75-Q133 HydrophobicContact CB-CB 4.22Å; D75-Q133 VanDerWaalsContact CB-OE1 3.26Å; A129-Q133 PolarHBondContact O-N 3.3Å; V130-Q133 PolarHBondContact O-N 3.2Å; V130-Q133 VanDerWaalsContact O-N 3.17Å; F131-Q133 VanDerWaalsContact C-N 3.27Å; F131-Q133 PolarHBondContact O-N 3.1Å; Q133-V135 PolarHBondContact O-N 3.41Å
134	M	94.6	Very high	95.1	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	21%	0.211	C	C	.	.			trans	-92.7	73.3	176.6	-71.7	-83	-71.6	0	0	110	C73 I106 F109 A129 L132 P136 V137 V138	C73-M134 VanDerWaalsContact C-SD 3.53Å; C73-M134 HydrophobicContact CB-CE 4.21Å; C73-M134 HydrophobicContact CB-SD 3.91Å; I106-M134 HydrophobicContact CG2-CE 3.89Å; I106-M134 HydrophobicContact CG2-CG 3.81Å; I106-M134 HydrophobicContact CG2-SD 4.34Å; F109-M134 HydrophobicContact CD1-CE 3.46Å; F109-M134 VanDerWaalsContact CD1-CE 3.46Å; F109-M134 HydrophobicContact CE1-CE 3.86Å; A129-M134 HydrophobicContact CB-CB 4.48Å; A129-M134 PolarHBondContact O-N 2.71Å; L132-M134 VanDerWaalsContact C-N 3.29Å; L132-M134 HydrophobicContact CB-CG 4.25Å; L132-M134 PolarHBondContact O-N 3.07Å; M134-P136 VanDerWaalsContact C-CD 3.47Å; M134-V137 HydrophobicContact CB-CB 4.39Å; M134-V137 HydrophobicContact CB-CG2 4.27Å; M134-V137 HydrophobicContact CE-CG2 4.18Å; M134-V137 PolarHBondContact O-N 3.05Å; M134-V138 PolarHBondContact O-N 2.88Å
135	V	93.3	Very high	95.2	Very high	83 Å²	83	37.1 Å²	37.1	50%	0.503	20%	0.197	S	C	.	.	H	α-helix	trans	-50.5	-45.5	-173.1	-178.3	0	0	0	0	113.9	Q133 V137 V138 D139	Q133-V135 PolarHBondContact O-N 3.41Å; V135-V137 PolarHBondContact O-N 2.86Å; V135-V137 VanDerWaalsContact O-N 3.16Å; V135-V138 WeakPolarHBondContact O-CA 3.47Å; V135-V138 WeakPolarHBondContact O-CB 3.15Å; V135-V138 PolarHBondContact O-N 3.13Å; V135-D139 PolarHBondContact O-N 2.87Å
136	P	95.1	Very high	95.1	Very high	72 Å²	72	40.8 Å²	40.8	47%	0.468	21%	0.213	S	C	.	.	H	α-helix	trans	-59.6	-32.2	179.9	-25.1	35.5	0	0	0	113.9	F109 M134 L140	F109-P136 HydrophobicContact CZ-CB 4.16Å; M134-P136 VanDerWaalsContact C-CD 3.47Å; P136-L140 VanDerWaalsContact O-CG 3.3Å; P136-L140 WeakPolarHBondContact O-CG 3.27Å; P136-L140 PolarHBondContact O-N 3.19Å; P136-L140 VanDerWaalsContact O-N 3.16Å
137	V	95.6	Very high	95.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-75.6	-35.4	177.1	-175.7	0	0	0	0	110.6	I106 F109 V125 A129 M134 V135 D139 L140 C141	I106-V137 HydrophobicContact CD1-CB 4.23Å; I106-V137 HydrophobicContact CD1-CG1 3.81Å; I106-V137 HydrophobicContact CD1-CG2 4.26Å; F109-V137 HydrophobicContact CB-CG2 4.39Å; F109-V137 HydrophobicContact CD1-CG2 3.4Å; F109-V137 HydrophobicContact CD2-CG2 4.01Å; F109-V137 HydrophobicContact CE1-CG2 3.5Å; F109-V137 HydrophobicContact CE2-CG2 4.1Å; F109-V137 HydrophobicContact CG-CG2 3.66Å; F109-V137 HydrophobicContact CZ-CG2 3.86Å; V125-V137 HydrophobicContact CG1-CG1 3.97Å; A129-V137 HydrophobicContact CB-CB 3.91Å; A129-V137 HydrophobicContact CB-CG1 3.86Å; M134-V137 HydrophobicContact CB-CB 4.39Å; M134-V137 HydrophobicContact CB-CG2 4.27Å; M134-V137 HydrophobicContact CE-CG2 4.18Å; M134-V137 PolarHBondContact O-N 3.05Å; V135-V137 PolarHBondContact O-N 2.86Å; V135-V137 VanDerWaalsContact O-N 3.16Å; V137-D139 VanDerWaalsContact C-N 3.34Å; V137-L140 PolarHBondContact O-N 2.99Å; V137-C141 WeakPolarHBondContact O-CB 3.4Å; V137-C141 PolarHBondContact O-N 2.87Å; V137-C141 PolarHBondContact O-SG 3.27Å
138	V	95.4	Very high	95	Very high	20 Å²	20	45.9 Å²	45.9	12%	0.121	25%	0.248	C	C	.	.	H	α-helix	trans	-60.5	-45.7	173.3	179.5	0	0	0	0	110.3	L126 A129 V130 M134 V135 L140 C141 E142 L166	L126-V138 HydrophobicContact CD1-CG1 4.15Å; A129-V138 HydrophobicContact CB-CG2 3.68Å; V130-V138 HydrophobicContact CG2-CG1 4.35Å; V130-V138 HydrophobicContact CG2-CG2 3.81Å; M134-V138 PolarHBondContact O-N 2.88Å; V135-V138 WeakPolarHBondContact O-CA 3.47Å; V135-V138 WeakPolarHBondContact O-CB 3.15Å; V135-V138 PolarHBondContact O-N 3.13Å; V138-L140 PolarHBondContact O-N 3.23Å; V138-C141 WeakPolarHBondContact O-CB 3.49Å; V138-C141 PolarHBondContact O-N 3.23Å; V138-E142 PolarHBondContact O-N 3.13Å; V138-L166 HydrophobicContact CG1-CD2 3.78Å
139	D	94.9	Very high	95	Very high	83 Å²	83	47.2 Å²	47.2	44%	0.444	25%	0.254	S	S	.	.	H	α-helix	trans	-61.5	-45.7	178.8	-63.8	-26.1	0	0	0	111.4	V135 V137 C141 E142 E143	V135-D139 PolarHBondContact O-N 2.87Å; V137-D139 VanDerWaalsContact C-N 3.34Å; D139-C141 VanDerWaalsContact C-N 3.35Å; D139-C141 PolarHBondContact O-N 2.95Å; D139-E142 PolarHBondContact O-N 3.16Å; D139-E143 WeakPolarHBondContact O-CG 3.43Å; D139-E143 PolarHBondContact O-N 2.96Å
140	L	95.4	Very high	95	Very high	69 Å²	69	49.2 Å²	49.2	36%	0.361	27%	0.268	S	S	.	.	H	α-helix	trans	-62.4	-39.7	175.5	-71	171.2	0	0	0	112.5	F109 V115 P136 V137 V138 E142 E143 F144	F109-L140 HydrophobicContact CE2-CD1 4.09Å; V115-L140 HydrophobicContact CG1-CD1 3.86Å; P136-L140 VanDerWaalsContact O-CG 3.3Å; P136-L140 WeakPolarHBondContact O-CG 3.27Å; P136-L140 PolarHBondContact O-N 3.19Å; P136-L140 VanDerWaalsContact O-N 3.16Å; V137-L140 PolarHBondContact O-N 2.99Å; V138-L140 PolarHBondContact O-N 3.23Å; L140-E142 VanDerWaalsContact C-N 3.34Å; L140-E143 PolarHBondContact O-N 3.31Å; L140-F144 WeakPolarHBondContact O-CB 3.49Å; L140-F144 PolarHBondContact O-N 2.99Å
141	C	95.8	Very high	95.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.5	-41.3	174.6	-69.7	0	0	0	0	111.3	I122 L126 V137 V138 D139 F144 L145	I122-C141 HydrophobicContact CD1-CB 3.7Å; L126-C141 HydrophobicContact CB-CB 4.39Å; L126-C141 HydrophobicContact CD1-CB 3.87Å; V137-C141 WeakPolarHBondContact O-CB 3.4Å; V137-C141 PolarHBondContact O-N 2.87Å; V137-C141 PolarHBondContact O-SG 3.27Å; V138-C141 WeakPolarHBondContact O-CB 3.49Å; V138-C141 PolarHBondContact O-N 3.23Å; D139-C141 VanDerWaalsContact C-N 3.35Å; D139-C141 PolarHBondContact O-N 2.95Å; C141-F144 PolarHBondContact O-N 3.29Å; C141-L145 WeakPolarHBondContact O-CB 3.43Å; C141-L145 WeakPolarHBondContact O-CD1 3.44Å; C141-L145 WeakPolarHBondContact O-CG 3.44Å; C141-L145 PolarHBondContact O-N 2.87Å
142	E	95.3	Very high	95	Very high	23 Å²	23	51 Å²	51	11%	0.107	28%	0.276	C	S	.	.	H	α-helix	trans	-64.9	-43.8	177.4	-177.5	172.1	151.6	0	0	112.1	V138 D139 L140 L145 K146 S168 L169	V138-E142 PolarHBondContact O-N 3.13Å; D139-E142 PolarHBondContact O-N 3.16Å; L140-E142 VanDerWaalsContact C-N 3.34Å; E142-L145 PolarHBondContact O-N 3.03Å; E142-K146 HydrophobicContact CG-CD 4.2Å; E142-K146 WeakPolarHBondContact O-CB 3.32Å; E142-K146 WeakPolarHBondContact O-CG 3.28Å; E142-K146 PolarHBondContact O-N 2.95Å; E142-K146 VanDerWaalsContact OE1-CE 3.26Å; E142-K146 WeakPolarHBondContact OE1-CE 3.45Å; E142-K146 IonicContact OE1-NZ 3.78Å; E142-K146 PolarHBondContact OE1-NZ 3.06Å; E142-S168 WeakPolarHBondContact OE1-CB 3.33Å; E142-S168 PolarHBondContact OE1-OG 3.34Å; E142-L169 HydrophobicContact CG-CB 4.04Å; E142-L169 HydrophobicContact CG-CD1 4.44Å; E142-L169 PolarHBondContact OE1-N 3.32Å
143	E	95.4	Very high	94.9	Very high	128 Å²	128	52.1 Å²	52.1	60%	0.598	28%	0.283	S	S	*	.	H	α-helix	trans	-61.5	-44.4	175.1	-72.5	-174.6	160.9	0	0	111.9	D139 L140 K146 S147	D139-E143 WeakPolarHBondContact O-CG 3.43Å; D139-E143 PolarHBondContact O-N 2.96Å; L140-E143 PolarHBondContact O-N 3.31Å; E143-K146 PolarHBondContact O-N 2.93Å; E143-S147 PolarHBondContact O-N 3.46Å
144	F	95.9	Very high	94.9	Very high	50 Å²	50	47.5 Å²	47.5	22%	0.219	26%	0.261	C	S	.	.	H	α-helix	trans	-59.8	-49.2	175.5	175.8	-103.7	0	0	0	111.5	L117 L119 I122 L140 C141 K146 S147 A148	L117-F144 HydrophobicContact CB-CD1 4.05Å; L117-F144 HydrophobicContact CB-CD2 4.24Å; L117-F144 HydrophobicContact CB-CE1 4.29Å; L117-F144 HydrophobicContact CB-CE2 4.47Å; L117-F144 HydrophobicContact CB-CG 4.02Å; L117-F144 HydrophobicContact CB-CZ 4.5Å; L117-F144 HydrophobicContact CD1-CB 3.82Å; L117-F144 HydrophobicContact CD1-CD1 4.49Å; L117-F144 HydrophobicContact CD1-CG 4.17Å; L119-F144 HydrophobicContact CD2-CE1 4.26Å; I122-F144 HydrophobicContact CB-CE1 4.4Å; I122-F144 HydrophobicContact CD1-CD1 3.88Å; I122-F144 HydrophobicContact CD1-CE1 4.5Å; I122-F144 HydrophobicContact CG1-CD1 4.08Å; I122-F144 HydrophobicContact CG1-CE1 4.38Å; L140-F144 WeakPolarHBondContact O-CB 3.49Å; L140-F144 PolarHBondContact O-N 2.99Å; C141-F144 PolarHBondContact O-N 3.29Å; F144-K146 VanDerWaalsContact C-N 3.31Å; F144-K146 PolarHBondContact O-N 3.17Å; F144-S147 PolarHBondContact O-N 3.37Å; F144-S147 PolarHBondContact O-OG 2.86Å; F144-A148 WeakPolarHBondContact O-CB 3.47Å; F144-A148 PolarHBondContact O-N 3.26Å
145	L	95.9	Very high	94.8	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-61.9	-37.5	178.8	-71.5	167.5	0	0	0	112.3	I122 L126 C141 E142 S147 A148 M149 I157 M160 L169	I122-L145 HydrophobicContact CD1-CG 4.49Å; I122-L145 HydrophobicContact CG1-CD1 4.19Å; I122-L145 HydrophobicContact CG1-CD2 3.79Å; I122-L145 HydrophobicContact CG1-CG 3.94Å; I122-L145 HydrophobicContact CG2-CD2 4.32Å; L126-L145 HydrophobicContact CD2-CD1 4.04Å; C141-L145 WeakPolarHBondContact O-CB 3.43Å; C141-L145 WeakPolarHBondContact O-CD1 3.44Å; C141-L145 WeakPolarHBondContact O-CG 3.44Å; C141-L145 PolarHBondContact O-N 2.87Å; E142-L145 PolarHBondContact O-N 3.03Å; L145-S147 VanDerWaalsContact C-N 3.35Å; L145-A148 PolarHBondContact O-N 2.88Å; L145-M149 PolarHBondContact O-N 3.16Å; L145-I157 HydrophobicContact CB-CG2 4.08Å; L145-I157 HydrophobicContact CD2-CG1 3.99Å; L145-I157 HydrophobicContact CD2-CG2 4.29Å; L145-M160 HydrophobicContact CD1-CE 4.09Å; L145-M160 HydrophobicContact CD2-CE 4.23Å; L145-M160 HydrophobicContact CD2-SD 4.26Å; L145-L169 HydrophobicContact CB-CD1 3.98Å; L145-L169 HydrophobicContact CB-CD2 4.03Å; L145-L169 HydrophobicContact CD1-CD2 3.64Å; L145-L169 HydrophobicContact CG-CD2 4.46Å
146	K	95.1	Very high	94.8	Very high	77 Å²	77	48.2 Å²	48.2	34%	0.335	26%	0.263	S	S	.	.	H	α-helix	trans	-63.1	-41	172.6	-77.2	168.5	171	168.8	0	111.9	E142 E143 F144 S168 L169 S172	E142-K146 HydrophobicContact CG-CD 4.2Å; E142-K146 WeakPolarHBondContact O-CB 3.32Å; E142-K146 WeakPolarHBondContact O-CG 3.28Å; E142-K146 PolarHBondContact O-N 2.95Å; E142-K146 VanDerWaalsContact OE1-CE 3.26Å; E142-K146 WeakPolarHBondContact OE1-CE 3.45Å; E142-K146 IonicContact OE1-NZ 3.78Å; E142-K146 PolarHBondContact OE1-NZ 3.06Å; E143-K146 PolarHBondContact O-N 2.93Å; F144-K146 VanDerWaalsContact C-N 3.31Å; F144-K146 PolarHBondContact O-N 3.17Å; K146-S168 PolarHBondContact NZ-OG 3.1Å; K146-L169 HydrophobicContact CG-CD1 3.79Å; K146-S172 WeakPolarHBondContact CE-OG 3.37Å
147	S	94.4	Very high	94.8	Very high	95 Å²	95	45 Å²	45	66%	0.664	24%	0.241	S	C	*	.	H	α-helix	trans	-72.9	-29.6	179.8	75.9	0	0	0	0	113.8	E143 F144 L145 M149	E143-S147 PolarHBondContact O-N 3.46Å; F144-S147 PolarHBondContact O-N 3.37Å; F144-S147 PolarHBondContact O-OG 2.86Å; L145-S147 VanDerWaalsContact C-N 3.35Å; S147-M149 VanDerWaalsContact C-N 3.33Å
148	A	94.2	Very high	94.6	Very high	27 Å²	27	45.3 Å²	45.3	22%	0.223	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	4.3	-178.9	0	0	0	0	0	113.7	L119 F144 L145 S150 T153	L119-A148 HydrophobicContact CD2-CB 4.21Å; F144-A148 WeakPolarHBondContact O-CB 3.47Å; F144-A148 PolarHBondContact O-N 3.26Å; L145-A148 PolarHBondContact O-N 2.88Å; A148-S150 PolarHBondContact O-N 2.84Å; A148-T153 PolarHBondContact O-OG1 3.37Å
149	M	94.8	Very high	94.5	Very high	30 Å²	30	50.5 Å²	50.5	15%	0.148	27%	0.267	C	S	.	.			trans	-69.9	116.7	-176.5	-164.5	177.4	-49.4	0	0	111.5	L145 S147 C154 I157 L169 V173 F176	L145-M149 PolarHBondContact O-N 3.16Å; S147-M149 VanDerWaalsContact C-N 3.33Å; M149-C154 HydrophobicContact CG-CB 4.34Å; M149-I157 HydrophobicContact CB-CD1 4.36Å; M149-L169 HydrophobicContact CE-CD1 4.46Å; M149-V173 HydrophobicContact CE-CG2 3.86Å; M149-V173 HydrophobicContact SD-CG2 4.37Å; M149-F176 HydrophobicContact CG-CB 4.36Å; M149-F176 HydrophobicContact CG-CD1 4.13Å; M149-F176 HydrophobicContact CG-CD2 4.09Å; M149-F176 HydrophobicContact CG-CE1 4.46Å; M149-F176 HydrophobicContact CG-CE2 4.42Å; M149-F176 HydrophobicContact CG-CG 3.94Å; M149-F176 HydrophobicContact SD-CB 3.31Å; M149-F176 WeakPolarHBondContact SD-CB 3.38Å; M149-F176 HydrophobicContact SD-CD1 4.15Å; M149-F176 HydrophobicContact SD-CD2 3.9Å; M149-F176 HydrophobicContact SD-CG 3.53Å; M149-F176 VanDerWaalsContact SD-CG 3.53Å
150	S	95.8	Very high	94.4	Very high	42 Å²	42	47.4 Å²	47.4	29%	0.294	25%	0.25	S	S	.	.			trans	-134.6	174.5	176.2	75.6	0	0	0	0	110.2	A148 E152 T153 C154	A148-S150 PolarHBondContact O-N 2.84Å; S150-E152 PolarHBondContact O-N 3.01Å; S150-E152 PolarHBondContact OG-N 2.93Å; S150-T153 PolarHBondContact N-OG1 3.08Å; S150-T153 PolarHBondContact O-N 3.5Å; S150-T153 PolarHBondContact OG-N 2.72Å; S150-T153 PolarHBondContact OG-OG1 3.09Å; S150-C154 WeakPolarHBondContact O-CB 3.5Å; S150-C154 PolarHBondContact O-N 3.34Å
151	V	95.1	Very high	94.4	Very high	31 Å²	31	44.2 Å²	44.2	19%	0.188	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-42.8	175.5	176.2	0	0	0	0	111	H180 Q183 I184 E187	V151-H180 HydrophobicContact CG2-CB 4.49Å; V151-Q183 HydrophobicContact CG1-CB 3.86Å; V151-Q183 HydrophobicContact CG2-CB 4.05Å; V151-I184 HydrophobicContact CG1-CG1 4Å; V151-E187 HydrophobicContact CG1-CG 4.06Å
152	E	93.4	Very high	94.2	Very high	140 Å²	140	47.5 Å²	47.5	65%	0.654	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-36.7	-178.9	-60.9	170.7	-170.4	0	0	112.7	S150	S150-E152 PolarHBondContact O-N 3.01Å; S150-E152 PolarHBondContact OG-N 2.93Å
153	T	93.1	Very high	94.1	Very high	24 Å²	24	50.5 Å²	50.5	15%	0.147	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-19.5	-172.9	62.8	0	0	0	0	113.8	L119 A148 S150 L155 N156 I157	L119-T153 HydrophobicContact CD1-CG2 4.13Å; A148-T153 PolarHBondContact O-OG1 3.37Å; S150-T153 PolarHBondContact N-OG1 3.08Å; S150-T153 PolarHBondContact O-N 3.5Å; S150-T153 PolarHBondContact OG-N 2.72Å; S150-T153 PolarHBondContact OG-OG1 3.09Å; T153-L155 PolarHBondContact O-N 3.23Å; T153-N156 PolarHBondContact O-N 3.5Å; T153-I157 VanDerWaalsContact O-CG1 3.27Å; T153-I157 WeakPolarHBondContact O-CG1 3.24Å; T153-I157 PolarHBondContact O-N 2.91Å; T153-I157 WeakPolarHBondContact OG1-CD1 3.5Å
154	C	95	Very high	94	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.1	-42.4	-167.1	-175.9	0	0	0	0	114	M149 S150 I157 G158 F176 T177 I184	M149-C154 HydrophobicContact CG-CB 4.34Å; S150-C154 WeakPolarHBondContact O-CB 3.5Å; S150-C154 PolarHBondContact O-N 3.34Å; C154-I157 PolarHBondContact O-N 2.97Å; C154-G158 PolarHBondContact O-N 3.43Å; C154-F176 HydrophobicContact CB-CD1 4.02Å; C154-F176 HydrophobicContact CB-CE1 4.13Å; C154-T177 PolarHBondContact SG-OG1 3.29Å; C154-I184 HydrophobicContact CB-CD1 4.43Å
155	L	92.6	Very high	93.9	Very high	27 Å²	27	50.5 Å²	50.5	14%	0.141	28%	0.279	C	S	.	.	H	α-helix	trans	-66.9	-43.5	-178.4	-66	-179.8	0	0	0	111.8	T153 G158 Q159 I184 D189 F190 I193	T153-L155 PolarHBondContact O-N 3.23Å; L155-G158 WeakPolarHBondContact O-CA 3.4Å; L155-G158 PolarHBondContact O-N 3.16Å; L155-G158 VanDerWaalsContact O-N 3.15Å; L155-Q159 PolarHBondContact O-N 3.34Å; L155-I184 HydrophobicContact CD1-CG2 3.79Å; L155-I184 HydrophobicContact CD2-CG2 3.85Å; L155-I184 HydrophobicContact CG-CG2 3.8Å; L155-D189 HydrophobicContact CD1-CB 3.87Å; L155-F190 HydrophobicContact CD1-CB 4.16Å; L155-I193 HydrophobicContact CD1-CG2 4.09Å; L155-I193 HydrophobicContact CD2-CG2 4.08Å
156	N	92.1	Very high	93.8	Very high	74 Å²	74	51.2 Å²	51.2	40%	0.396	28%	0.282	S	S	.	.	H	α-helix	trans	-63.9	-44	176.7	-66.7	-38.9	0	0	0	111.2	T153 G158 Q159 M160 D189	T153-N156 PolarHBondContact O-N 3.5Å; N156-G158 VanDerWaalsContact C-N 3.27Å; N156-G158 PolarHBondContact O-N 2.99Å; N156-Q159 WeakPolarHBondContact O-CB 3.3Å; N156-Q159 PolarHBondContact O-N 2.89Å; N156-M160 WeakPolarHBondContact O-CG 3.46Å; N156-M160 PolarHBondContact O-N 3.13Å; N156-D189 PolarHBondContact ND2-OD2 3.46Å
157	I	94.5	Very high	93.8	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-60	-39.9	173.1	-63.1	169.7	0	0	0	110.7	L145 M149 T153 C154 M160 A161 L169 V173	L145-I157 HydrophobicContact CB-CG2 4.08Å; L145-I157 HydrophobicContact CD2-CG1 3.99Å; L145-I157 HydrophobicContact CD2-CG2 4.29Å; M149-I157 HydrophobicContact CB-CD1 4.36Å; T153-I157 VanDerWaalsContact O-CG1 3.27Å; T153-I157 WeakPolarHBondContact O-CG1 3.24Å; T153-I157 PolarHBondContact O-N 2.91Å; T153-I157 WeakPolarHBondContact OG1-CD1 3.5Å; C154-I157 PolarHBondContact O-N 2.97Å; I157-M160 WeakPolarHBondContact O-CB 3.08Å; I157-M160 PolarHBondContact O-N 2.87Å; I157-A161 WeakPolarHBondContact O-CB 3.4Å; I157-A161 PolarHBondContact O-N 3.03Å; I157-L169 HydrophobicContact CG2-CD1 3.99Å; I157-L169 HydrophobicContact CG2-CD2 4.02Å; I157-L169 HydrophobicContact CG2-CG 4.17Å; I157-V173 HydrophobicContact CB-CG2 4.43Å; I157-V173 HydrophobicContact CG2-CG2 3.79Å
158	G	93.4	Very high	93.8	Very high	6 Å²	6	50.2 Å²	50.2	6%	0.062	28%	0.281	C	S	.	.	H	α-helix	trans	-63.4	-38.4	175.3	0	0	0	0	0	114	C154 L155 N156 A161 T162	C154-G158 PolarHBondContact O-N 3.43Å; L155-G158 WeakPolarHBondContact O-CA 3.4Å; L155-G158 PolarHBondContact O-N 3.16Å; L155-G158 VanDerWaalsContact O-N 3.15Å; N156-G158 VanDerWaalsContact C-N 3.27Å; N156-G158 PolarHBondContact O-N 2.99Å; G158-A161 PolarHBondContact O-N 2.97Å; G158-T162 PolarHBondContact O-N 2.98Å; G158-T162 PolarHBondContact O-OG1 2.98Å
159	Q	92.4	Very high	93.8	Very high	129 Å²	129	49 Å²	49	60%	0.603	27%	0.27	S	S	*	.	H	α-helix	trans	-65.8	-42.8	173.9	-175.2	177.4	-1.6	0	0	111.1	L155 N156 T162 T163	L155-Q159 PolarHBondContact O-N 3.34Å; N156-Q159 WeakPolarHBondContact O-CB 3.3Å; N156-Q159 PolarHBondContact O-N 2.89Å; Q159-T162 PolarHBondContact O-N 2.82Å; Q159-T163 WeakPolarHBondContact O-CB 3.37Å; Q159-T163 PolarHBondContact O-N 3.35Å; Q159-T163 PolarHBondContact O-OG1 3.46Å
160	M	92.6	Very high	93.8	Very high	19 Å²	19	51.4 Å²	51.4	9%	0.094	28%	0.28	C	S	.	.	H	α-helix	trans	-60.5	-47.5	174	-67.7	179.3	61.1	0	0	111.5	I122 Q123 L126 L145 N156 I157 T162 T163 F164	I122-M160 HydrophobicContact CG1-CE 4.11Å; I122-M160 HydrophobicContact CG2-CE 4.02Å; I122-M160 HydrophobicContact CG2-SD 4.34Å; Q123-M160 HydrophobicContact CB-CE 4.01Å; Q123-M160 HydrophobicContact CB-SD 4.4Å; L126-M160 HydrophobicContact CD2-CE 3.76Å; L145-M160 HydrophobicContact CD1-CE 4.09Å; L145-M160 HydrophobicContact CD2-CE 4.23Å; L145-M160 HydrophobicContact CD2-SD 4.26Å; N156-M160 WeakPolarHBondContact O-CG 3.46Å; N156-M160 PolarHBondContact O-N 3.13Å; I157-M160 WeakPolarHBondContact O-CB 3.08Å; I157-M160 PolarHBondContact O-N 2.87Å; M160-T162 PolarHBondContact O-N 3.35Å; M160-T163 PolarHBondContact O-N 2.99Å; M160-T163 VanDerWaalsContact O-N 3.15Å; M160-F164 HydrophobicContact CB-CD2 4.35Å; M160-F164 HydrophobicContact CB-CE2 4.49Å; M160-F164 HydrophobicContact CE-CE2 4.46Å; M160-F164 WeakPolarHBondContact O-CD2 3.47Å; M160-F164 PolarHBondContact O-N 3.34Å
161	A	94.9	Very high	93.8	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.008	30%	0.295	C	S	.	.	H	α-helix	trans	-57.1	-39	177.8	0	0	0	0	0	112.1	I157 G158 N165 L166 L169 K170	I157-A161 WeakPolarHBondContact O-CB 3.4Å; I157-A161 PolarHBondContact O-N 3.03Å; G158-A161 PolarHBondContact O-N 2.97Å; A161-N165 CarbonylContact O-C 3.53Å; A161-N165 WeakPolarHBondContact O-CA 3.3Å; A161-N165 PolarHBondContact O-N 2.88Å; A161-L166 HydrophobicContact CB-CB 4.43Å; A161-L166 PolarHBondContact O-N 2.97Å; A161-L169 HydrophobicContact CB-CB 4.1Å; A161-L169 HydrophobicContact CB-CD2 3.85Å; A161-L169 HydrophobicContact CB-CG 3.9Å; A161-K170 HydrophobicContact CB-CB 4.21Å
162	T	92.8	Very high	93.9	Very high	70 Å²	70	56.1 Å²	56.1	43%	0.429	30%	0.3	S	S	.	.	H	α-helix	trans	-71.7	-43.5	176.9	-56.6	0	0	0	0	111.8	G158 Q159 M160 F164 N165	G158-T162 PolarHBondContact O-N 2.98Å; G158-T162 PolarHBondContact O-OG1 2.98Å; Q159-T162 PolarHBondContact O-N 2.82Å; M160-T162 PolarHBondContact O-N 3.35Å; T162-F164 VanDerWaalsContact C-N 3.32Å; T162-F164 PolarHBondContact O-N 3.41Å; T162-N165 PolarHBondContact O-N 3.39Å
163	T	92.7	Very high	94	Very high	85 Å²	85	49.6 Å²	49.6	52%	0.521	27%	0.269	S	S	.	.	H	α-helix	trans	-62.6	-39.7	-178.9	-57.4	0	0	0	0	111.8	Q159 M160	Q159-T163 WeakPolarHBondContact O-CB 3.37Å; Q159-T163 PolarHBondContact O-N 3.35Å; Q159-T163 PolarHBondContact O-OG1 3.46Å; M160-T163 PolarHBondContact O-N 2.99Å; M160-T163 VanDerWaalsContact O-N 3.15Å
164	F	93.2	Very high	94.1	Very high	40 Å²	40	49.4 Å²	49.4	18%	0.175	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	6.5	-178	-60.4	-62.7	0	0	0	114.1	Q123 L126 V130 M160 T162 L166	Q123-F164 HydrophobicContact CG-CE2 4.42Å; Q123-F164 HydrophobicContact CG-CZ 4.47Å; L126-F164 HydrophobicContact CB-CE2 4.38Å; L126-F164 HydrophobicContact CD2-CB 4.42Å; L126-F164 HydrophobicContact CD2-CD2 3.34Å; L126-F164 HydrophobicContact CD2-CE2 3.79Å; L126-F164 HydrophobicContact CD2-CG 4.05Å; L126-F164 HydrophobicContact CG-CD2 3.7Å; L126-F164 HydrophobicContact CG-CE2 4Å; L126-F164 HydrophobicContact CG-CG 4.04Å; V130-F164 HydrophobicContact CB-CD1 4.44Å; V130-F164 HydrophobicContact CG2-CB 4.29Å; V130-F164 HydrophobicContact CG2-CD1 4.37Å; M160-F164 HydrophobicContact CB-CD2 4.35Å; M160-F164 HydrophobicContact CB-CE2 4.49Å; M160-F164 HydrophobicContact CE-CE2 4.46Å; M160-F164 WeakPolarHBondContact O-CD2 3.47Å; M160-F164 PolarHBondContact O-N 3.34Å; T162-F164 VanDerWaalsContact C-N 3.32Å; T162-F164 PolarHBondContact O-N 3.41Å; F164-L166 VanDerWaalsContact C-N 3.34Å; F164-L166 HydrophobicContact CB-CD1 4.47Å; F164-L166 HydrophobicContact CB-CG 4.09Å; F164-L166 PolarHBondContact O-N 3.37Å
165	N	93.8	Very high	94.2	Very high	139 Å²	139	54.1 Å²	54.1	74%	0.743	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	39.6	-179.3	-64.6	-60	0	0	0	114.9	A161 T162 T167	A161-N165 CarbonylContact O-C 3.53Å; A161-N165 WeakPolarHBondContact O-CA 3.3Å; A161-N165 PolarHBondContact O-N 2.88Å; T162-N165 PolarHBondContact O-N 3.39Å; N165-T167 PolarHBondContact O-N 3.14Å
166	L	94	Very high	94.4	Very high	15 Å²	15	55.1 Å²	55.1	8%	0.079	30%	0.3	C	S	.	.			trans	-85.1	93.7	177.4	-56.2	-179.6	0	0	0	110.7	L126 V138 A161 F164 L169 K170	L126-L166 HydrophobicContact CD1-CD1 4.11Å; L126-L166 HydrophobicContact CD2-CD1 3.82Å; V138-L166 HydrophobicContact CG1-CD2 3.78Å; A161-L166 HydrophobicContact CB-CB 4.43Å; A161-L166 PolarHBondContact O-N 2.97Å; F164-L166 VanDerWaalsContact C-N 3.34Å; F164-L166 HydrophobicContact CB-CD1 4.47Å; F164-L166 HydrophobicContact CB-CG 4.09Å; F164-L166 PolarHBondContact O-N 3.37Å; L166-L169 HydrophobicContact CB-CB 3.88Å; L166-L169 HydrophobicContact CB-CD2 4.49Å; L166-L169 HydrophobicContact CD1-CD2 3.86Å; L166-K170 WeakPolarHBondContact O-CB 3.44Å; L166-K170 PolarHBondContact O-N 3.49Å
167	T	94.1	Very high	94.5	Very high	105 Å²	105	51.7 Å²	51.7	64%	0.644	28%	0.282	S	S	*	.	H	α-helix	trans	-65.2	-46.5	-174.2	52.1	0	0	0	0	113.1	N165 L169 K170 E171	N165-T167 PolarHBondContact O-N 3.14Å; T167-L169 PolarHBondContact O-N 2.89Å; T167-K170 WeakPolarHBondContact O-CB 3.32Å; T167-K170 PolarHBondContact O-N 3.45Å; T167-E171 WeakPolarHBondContact O-CG 3.41Å; T167-E171 PolarHBondContact O-N 3.16Å
168	S	94.7	Very high	94.6	Very high	47 Å²	47	52 Å²	52	33%	0.329	28%	0.283	S	S	.	.	H	α-helix	trans	-64.7	-38.9	-179.8	153.7	0	0	0	0	112.3	E142 K146 S172	E142-S168 WeakPolarHBondContact OE1-CB 3.33Å; E142-S168 PolarHBondContact OE1-OG 3.34Å; K146-S168 PolarHBondContact NZ-OG 3.1Å; S168-S172 PolarHBondContact O-N 3.41Å; S168-S172 PolarHBondContact O-OG 2.89Å
169	L	95.6	Very high	94.6	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64.3	-44.3	171.5	-173.7	58.8	0	0	0	111.6	E142 L145 K146 M149 I157 A161 L166 T167 E171 S172 V173	E142-L169 HydrophobicContact CG-CB 4.04Å; E142-L169 HydrophobicContact CG-CD1 4.44Å; E142-L169 PolarHBondContact OE1-N 3.32Å; L145-L169 HydrophobicContact CB-CD1 3.98Å; L145-L169 HydrophobicContact CB-CD2 4.03Å; L145-L169 HydrophobicContact CD1-CD2 3.64Å; L145-L169 HydrophobicContact CG-CD2 4.46Å; K146-L169 HydrophobicContact CG-CD1 3.79Å; M149-L169 HydrophobicContact CE-CD1 4.46Å; I157-L169 HydrophobicContact CG2-CD1 3.99Å; I157-L169 HydrophobicContact CG2-CD2 4.02Å; I157-L169 HydrophobicContact CG2-CG 4.17Å; A161-L169 HydrophobicContact CB-CB 4.1Å; A161-L169 HydrophobicContact CB-CD2 3.85Å; A161-L169 HydrophobicContact CB-CG 3.9Å; L166-L169 HydrophobicContact CB-CB 3.88Å; L166-L169 HydrophobicContact CB-CD2 4.49Å; L166-L169 HydrophobicContact CD1-CD2 3.86Å; T167-L169 PolarHBondContact O-N 2.89Å; L169-E171 VanDerWaalsContact C-N 3.35Å; L169-E171 PolarHBondContact O-N 3Å; L169-S172 WeakPolarHBondContact O-CB 3.44Å; L169-S172 PolarHBondContact O-N 2.99Å; L169-S172 VanDerWaalsContact O-N 3.12Å; L169-V173 HydrophobicContact CD1-CG2 4.48Å; L169-V173 HydrophobicContact CG-CG2 4.43Å; L169-V173 WeakPolarHBondContact O-CG2 3.42Å; L169-V173 PolarHBondContact O-N 2.99Å
170	K	94.7	Very high	94.8	Very high	81 Å²	81	56 Å²	56	35%	0.352	29%	0.293	S	S	.	.	H	α-helix	trans	-59.5	-43	179	-175.4	175.9	-179.7	174.1	0	112.2	A161 L166 T167 S172 V173 D174	A161-K170 HydrophobicContact CB-CB 4.21Å; L166-K170 WeakPolarHBondContact O-CB 3.44Å; L166-K170 PolarHBondContact O-N 3.49Å; T167-K170 WeakPolarHBondContact O-CB 3.32Å; T167-K170 PolarHBondContact O-N 3.45Å; K170-S172 VanDerWaalsContact C-N 3.31Å; K170-S172 PolarHBondContact O-N 2.97Å; K170-V173 PolarHBondContact O-N 3.19Å; K170-D174 WeakPolarHBondContact O-CB 3.31Å; K170-D174 VanDerWaalsContact O-CG 3.31Å; K170-D174 PolarHBondContact O-N 3.37Å
171	E	95.4	Very high	95	Very high	132 Å²	132	55.1 Å²	55.1	62%	0.617	29%	0.288	S	S	*	.	H	α-helix	trans	-62.9	-38	175.1	-72.2	178.5	-176	0	0	112.4	T167 L169 D174 T175	T167-E171 WeakPolarHBondContact O-CG 3.41Å; T167-E171 PolarHBondContact O-N 3.16Å; L169-E171 VanDerWaalsContact C-N 3.35Å; L169-E171 PolarHBondContact O-N 3Å; E171-D174 PolarHBondContact O-N 3.08Å; E171-T175 WeakPolarHBondContact O-CB 3.21Å; E171-T175 PolarHBondContact O-N 2.92Å; E171-T175 PolarHBondContact O-OG1 3.08Å
172	S	96.3	Very high	95	Very high	40 Å²	40	57.5 Å²	57.5	28%	0.28	30%	0.3	S	S	.	.	H	α-helix	trans	-66.4	-45.4	176.6	-57.1	0	0	0	0	111.3	K146 S168 L169 K170 T175 F176	K146-S172 WeakPolarHBondContact CE-OG 3.37Å; S168-S172 PolarHBondContact O-N 3.41Å; S168-S172 PolarHBondContact O-OG 2.89Å; L169-S172 WeakPolarHBondContact O-CB 3.44Å; L169-S172 PolarHBondContact O-N 2.99Å; L169-S172 VanDerWaalsContact O-N 3.12Å; K170-S172 VanDerWaalsContact C-N 3.31Å; K170-S172 PolarHBondContact O-N 2.97Å; S172-T175 PolarHBondContact O-N 3.36Å; S172-F176 PolarHBondContact O-N 3.31Å
173	V	96.6	Very high	95.1	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.018	30%	0.302	C	S	.	.	H	α-helix	trans	-60.1	-45.6	174.4	168.3	0	0	0	0	111.2	M149 I157 L169 K170 T175 F176 T177	M149-V173 HydrophobicContact CE-CG2 3.86Å; M149-V173 HydrophobicContact SD-CG2 4.37Å; I157-V173 HydrophobicContact CB-CG2 4.43Å; I157-V173 HydrophobicContact CG2-CG2 3.79Å; L169-V173 HydrophobicContact CD1-CG2 4.48Å; L169-V173 HydrophobicContact CG-CG2 4.43Å; L169-V173 WeakPolarHBondContact O-CG2 3.42Å; L169-V173 PolarHBondContact O-N 2.99Å; K170-V173 PolarHBondContact O-N 3.19Å; V173-T175 PolarHBondContact O-N 3.41Å; V173-F176 PolarHBondContact O-N 3.35Å; V173-T177 WeakPolarHBondContact O-CB 3.34Å; V173-T177 PolarHBondContact O-N 3.05Å; V173-T177 PolarHBondContact O-OG1 3.26Å
174	D	95.6	Very high	95.3	Very high	20 Å²	20	54.8 Å²	54.8	11%	0.107	28%	0.277	C	S	.	.	H	α-helix	trans	-61	-45.7	177.7	-77.3	-15.3	0	0	0	111.2	K170 E171 F176 T177 F178 R197	K170-D174 WeakPolarHBondContact O-CB 3.31Å; K170-D174 VanDerWaalsContact O-CG 3.31Å; K170-D174 PolarHBondContact O-N 3.37Å; E171-D174 PolarHBondContact O-N 3.08Å; D174-F176 VanDerWaalsContact C-N 3.34Å; D174-F176 PolarHBondContact O-N 3.35Å; D174-T177 PolarHBondContact O-N 2.86Å; D174-F178 HydrophobicContact CB-CD2 4.48Å; D174-F178 HydrophobicContact CB-CE2 4.16Å; D174-F178 WeakPolarHBondContact O-CD2 3.31Å; D174-F178 WeakPolarHBondContact O-CG 3.44Å; D174-F178 PolarHBondContact O-N 2.9Å; D174-R197 IonicContact OD1-CZ 2.66Å; D174-R197 IonicContact OD1-NH1 3.84Å; D174-R197 PolarHBondContact OD1-NH1 3.47Å; D174-R197 IonicContact OD1-NH2 3.54Å; D174-R197 PolarHBondContact OD1-NH2 3.19Å; D174-R197 IonicContact OD2-NH1 3.92Å; D174-R197 PolarHBondContact OD2-NH1 3.35Å
175	T	95.6	Very high	95.4	Very high	99 Å²	99	53.2 Å²	53.2	61%	0.607	27%	0.272	S	S	*	.	H	α-helix	trans	-61.8	-42.4	178.9	-59.2	0	0	0	0	111.7	E171 S172 V173 R179	E171-T175 WeakPolarHBondContact O-CB 3.21Å; E171-T175 PolarHBondContact O-N 2.92Å; E171-T175 PolarHBondContact O-OG1 3.08Å; S172-T175 PolarHBondContact O-N 3.36Å; V173-T175 PolarHBondContact O-N 3.41Å; T175-R179 PolarHBondContact O-N 3.07Å
176	F	96.5	Very high	95.5	Very high	48 Å²	48	53.4 Å²	53.4	21%	0.211	27%	0.268	C	S	.	.	H	α-helix	trans	-65.3	-45.6	174.7	-173.3	-86.3	0	0	0	111.5	M149 C154 S172 V173 D174 F178 R179 H180 I184	M149-F176 HydrophobicContact CG-CB 4.36Å; M149-F176 HydrophobicContact CG-CD1 4.13Å; M149-F176 HydrophobicContact CG-CD2 4.09Å; M149-F176 HydrophobicContact CG-CE1 4.46Å; M149-F176 HydrophobicContact CG-CE2 4.42Å; M149-F176 HydrophobicContact CG-CG 3.94Å; M149-F176 HydrophobicContact SD-CB 3.31Å; M149-F176 WeakPolarHBondContact SD-CB 3.38Å; M149-F176 HydrophobicContact SD-CD1 4.15Å; M149-F176 HydrophobicContact SD-CD2 3.9Å; M149-F176 HydrophobicContact SD-CG 3.53Å; M149-F176 VanDerWaalsContact SD-CG 3.53Å; C154-F176 HydrophobicContact CB-CD1 4.02Å; C154-F176 HydrophobicContact CB-CE1 4.13Å; S172-F176 PolarHBondContact O-N 3.31Å; V173-F176 PolarHBondContact O-N 3.35Å; D174-F176 VanDerWaalsContact C-N 3.34Å; D174-F176 PolarHBondContact O-N 3.35Å; F176-F178 VanDerWaalsContact C-N 3.35Å; F176-F178 PolarHBondContact O-N 3.3Å; F176-R179 WeakPolarHBondContact O-CB 3.36Å; F176-R179 PolarHBondContact O-N 3.36Å; F176-H180 HydrophobicContact CE1-CB 4.17Å; F176-H180 AromaticContact CE1-CD2 3.93Å; F176-H180 AromaticContact CE2-CD2 3.78Å; F176-H180 AromaticContact CZ-CD2 3.73Å; F176-H180 PolarHBondContact O-CD2 3.04Å; F176-H180 PolarHBondContact O-N 3.32Å; F176-I184 HydrophobicContact CD1-CD1 4.33Å; F176-I184 HydrophobicContact CE1-CD1 4.39Å
177	T	95.9	Very high	95.6	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.012	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-43.2	179.6	-54.3	0	0	0	0	111.3	C154 V173 D174 R179 H180 F181 I184 F201	C154-T177 PolarHBondContact SG-OG1 3.29Å; V173-T177 WeakPolarHBondContact O-CB 3.34Å; V173-T177 PolarHBondContact O-N 3.05Å; V173-T177 PolarHBondContact O-OG1 3.26Å; D174-T177 PolarHBondContact O-N 2.86Å; T177-R179 PolarHBondContact O-N 3.35Å; T177-H180 CarbonylContact O-C 3.55Å; T177-H180 PolarHBondContact O-N 3.11Å; T177-F181 HydrophobicContact CG2-CD2 4.32Å; T177-F181 WeakPolarHBondContact O-CA 3.33Å; T177-F181 WeakPolarHBondContact O-CB 3.44Å; T177-F181 PolarHBondContact O-N 2.9Å; T177-I184 HydrophobicContact CG2-CD1 3.99Å; T177-F201 HydrophobicContact CG2-CD1 4.16Å; T177-F201 HydrophobicContact CG2-CD2 4.39Å; T177-F201 HydrophobicContact CG2-CE1 3.64Å; T177-F201 HydrophobicContact CG2-CE2 3.89Å; T177-F201 HydrophobicContact CG2-CZ 3.5Å; T177-F201 VanDerWaalsContact CG2-CZ 3.5Å
178	F	95.4	Very high	95.6	Very high	11 Å²	11	56.7 Å²	56.7	5%	0.048	28%	0.275	C	S	.	.	H	α-helix	trans	-60.9	-28.9	175.9	-74.3	-52.7	0	0	0	113.4	D174 F176 F200 F201 S204 K206 L207 K208	D174-F178 HydrophobicContact CB-CD2 4.48Å; D174-F178 HydrophobicContact CB-CE2 4.16Å; D174-F178 WeakPolarHBondContact O-CD2 3.31Å; D174-F178 WeakPolarHBondContact O-CG 3.44Å; D174-F178 PolarHBondContact O-N 2.9Å; F176-F178 VanDerWaalsContact C-N 3.35Å; F176-F178 PolarHBondContact O-N 3.3Å; F178-F200 HydrophobicContact CE2-CE1 4.27Å; F178-F200 HydrophobicContact CE2-CZ 4.33Å; F178-F200 AromaticContact CZ-CE1 3.75Å; F178-F200 HydrophobicContact CZ-CE1 3.75Å; F178-F200 AromaticContact CZ-CZ 3.94Å; F178-F200 HydrophobicContact CZ-CZ 3.94Å; F178-F201 HydrophobicContact CD1-CD1 4.25Å; F178-F201 AromaticContact CE1-CD1 3.7Å; F178-F201 HydrophobicContact CE1-CD1 3.7Å; F178-F201 HydrophobicContact CE1-CE1 4.46Å; F178-F201 HydrophobicContact CZ-CD1 4.05Å; F178-F201 HydrophobicContact CZ-CE1 4.48Å; F178-S204 VanDerWaalsContact CE1-OG 3.22Å; F178-S204 WeakPolarHBondContact CE1-OG 3.48Å; F178-S204 WeakPolarHBondContact CZ-OG 3.19Å; F178-K206 HydrophobicContact CB-CB 4.29Å; F178-K206 HydrophobicContact CD1-CB 3.95Å; F178-K206 HydrophobicContact CD2-CB 3.88Å; F178-K206 HydrophobicContact CD2-CD 4.06Å; F178-K206 HydrophobicContact CE1-CB 4.26Å; F178-K206 HydrophobicContact CE2-CB 4.2Å; F178-K206 HydrophobicContact CE2-CD 3.87Å; F178-K206 HydrophobicContact CG-CB 3.78Å; F178-K206 HydrophobicContact CZ-CB 4.39Å; F178-K206 HydrophobicContact CZ-CD 4.42Å; F178-L207 HydrophobicContact CD1-CD2 3.89Å; F178-L207 HydrophobicContact CD1-CG 4.03Å; F178-K208 PolarHBondContact O-N 3.11Å
179	R	94.6	Very high	95.5	Very high	170 Å²	170	57.6 Å²	57.6	64%	0.642	28%	0.277	S	S	*	.	H	α-helix	trans	-82.6	-33.1	179.8	-172.2	176.8	-177.3	157	-0.2	113	T175 F176 T177	T175-R179 PolarHBondContact O-N 3.07Å; F176-R179 WeakPolarHBondContact O-CB 3.36Å; F176-R179 PolarHBondContact O-N 3.36Å; T177-R179 PolarHBondContact O-N 3.35Å
180	H	95.4	Very high	95.5	Very high	49 Å²	49	57.7 Å²	57.7	23%	0.227	28%	0.277	C	S	.	.	H	α-helix	trans	-117.2	19.8	-172.7	-65.2	-81.3	0	0	0	113.3	V151 F176 T177 L182 Q183 I184	V151-H180 HydrophobicContact CG2-CB 4.49Å; F176-H180 HydrophobicContact CE1-CB 4.17Å; F176-H180 AromaticContact CE1-CD2 3.93Å; F176-H180 AromaticContact CE2-CD2 3.78Å; F176-H180 AromaticContact CZ-CD2 3.73Å; F176-H180 PolarHBondContact O-CD2 3.04Å; F176-H180 PolarHBondContact O-N 3.32Å; T177-H180 CarbonylContact O-C 3.55Å; T177-H180 PolarHBondContact O-N 3.11Å; H180-L182 VanDerWaalsContact C-N 3.34Å; H180-L182 PolarHBondContact O-N 3.36Å; H180-Q183 PolarHBondContact ND1-OE1 2.95Å; H180-Q183 VanDerWaalsContact ND1-OE1 3.11Å; H180-Q183 PolarHBondContact O-N 3.27Å; H180-Q183 VanDerWaalsContact O-N 3.1Å; H180-I184 HydrophobicContact CB-CD1 4.12Å; H180-I184 HydrophobicContact CB-CG1 4.45Å; H180-I184 WeakPolarHBondContact O-CG1 3.29Å; H180-I184 PolarHBondContact O-N 3.5Å
181	F	96.3	Very high	95.6	Very high	1 Å²	1	54.2 Å²	54.2	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-52.9	-45.1	-169.4	-178.6	-97.6	0	0	0	113.8	T177 Q183 I184 A185 F190 L198 F201 L202 L207 L215 A218	T177-F181 HydrophobicContact CG2-CD2 4.32Å; T177-F181 WeakPolarHBondContact O-CA 3.33Å; T177-F181 WeakPolarHBondContact O-CB 3.44Å; T177-F181 PolarHBondContact O-N 2.9Å; F181-Q183 PolarHBondContact O-N 3.42Å; F181-I184 PolarHBondContact O-N 3.16Å; F181-A185 HydrophobicContact CE1-CB 4.47Å; F181-A185 WeakPolarHBondContact O-CB 3.42Å; F181-A185 PolarHBondContact O-N 2.78Å; F181-F190 HydrophobicContact CE2-CE2 4.09Å; F181-F190 HydrophobicContact CZ-CE2 4.15Å; F181-F190 HydrophobicContact CZ-CZ 4.19Å; F181-L198 HydrophobicContact CZ-CD1 4.4Å; F181-F201 HydrophobicContact CD2-CB 4.13Å; F181-F201 HydrophobicContact CD2-CG 4.32Å; F181-F201 HydrophobicContact CE2-CB 3.66Å; F181-F201 HydrophobicContact CE2-CD2 4.05Å; F181-F201 HydrophobicContact CE2-CG 4.06Å; F181-F201 HydrophobicContact CZ-CB 4.48Å; F181-L202 HydrophobicContact CZ-CD2 4.35Å; F181-L207 HydrophobicContact CB-CD2 3.49Å; F181-L207 VanDerWaalsContact CB-CD2 3.49Å; F181-L207 HydrophobicContact CD1-CD2 4.03Å; F181-L207 HydrophobicContact CD2-CD2 3.82Å; F181-L207 HydrophobicContact CG-CD2 3.49Å; F181-L207 VanDerWaalsContact CG-CD2 3.49Å; F181-L215 HydrophobicContact CD1-CD2 3.66Å; F181-L215 HydrophobicContact CE1-CD2 3.43Å; F181-L215 VanDerWaalsContact CE1-CD2 3.43Å; F181-L215 HydrophobicContact CZ-CD2 4.4Å; F181-A218 HydrophobicContact CE1-CB 4.15Å
182	L	95.1	Very high	95.5	Very high	50 Å²	50	53.9 Å²	53.9	26%	0.262	26%	0.261	S	S	.	.	H	α-helix	trans	-63.8	-42.6	-179.5	-63.5	-172.5	0	0	0	112.8	H180 I184 A185 E186 N209 C210 D214	H180-L182 VanDerWaalsContact C-N 3.34Å; H180-L182 PolarHBondContact O-N 3.36Å; L182-I184 VanDerWaalsContact C-N 3.31Å; L182-I184 PolarHBondContact O-N 3.21Å; L182-A185 PolarHBondContact O-N 2.6Å; L182-E186 PolarHBondContact O-N 3.49Å; L182-N209 WeakPolarHBondContact CD1-O 3.26Å; L182-C210 HydrophobicContact CD2-CB 4.27Å; L182-C210 HydrophobicContact CG-CB 4.41Å; L182-D214 HydrophobicContact CD1-CB 3.92Å; L182-D214 HydrophobicContact CD2-CB 3.46Å; L182-D214 VanDerWaalsContact CD2-CB 3.46Å; L182-D214 HydrophobicContact CG-CB 4.35Å
183	Q	95.7	Very high	95.4	Very high	98 Å²	98	52.7 Å²	52.7	46%	0.458	25%	0.251	S	S	.	.	H	α-helix	trans	-63.6	-41.7	177.1	-64.1	170.5	-4.8	0	0	110.3	V151 H180 F181 A185 E186	V151-Q183 HydrophobicContact CG1-CB 3.86Å; V151-Q183 HydrophobicContact CG2-CB 4.05Å; H180-Q183 PolarHBondContact ND1-OE1 2.95Å; H180-Q183 VanDerWaalsContact ND1-OE1 3.11Å; H180-Q183 PolarHBondContact O-N 3.27Å; H180-Q183 VanDerWaalsContact O-N 3.1Å; F181-Q183 PolarHBondContact O-N 3.42Å; Q183-A185 VanDerWaalsContact C-N 3.34Å; Q183-A185 PolarHBondContact O-N 2.88Å; Q183-E186 WeakPolarHBondContact O-CB 3.46Å; Q183-E186 PolarHBondContact O-N 3.15Å
184	I	96.2	Very high	95.3	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-67.3	-36.9	177.1	-64.6	166.2	0	0	0	110.9	V151 C154 L155 F176 T177 H180 F181 L182 E186 E187 F190	V151-I184 HydrophobicContact CG1-CG1 4Å; C154-I184 HydrophobicContact CB-CD1 4.43Å; L155-I184 HydrophobicContact CD1-CG2 3.79Å; L155-I184 HydrophobicContact CD2-CG2 3.85Å; L155-I184 HydrophobicContact CG-CG2 3.8Å; F176-I184 HydrophobicContact CD1-CD1 4.33Å; F176-I184 HydrophobicContact CE1-CD1 4.39Å; T177-I184 HydrophobicContact CG2-CD1 3.99Å; H180-I184 HydrophobicContact CB-CD1 4.12Å; H180-I184 HydrophobicContact CB-CG1 4.45Å; H180-I184 WeakPolarHBondContact O-CG1 3.29Å; H180-I184 PolarHBondContact O-N 3.5Å; F181-I184 PolarHBondContact O-N 3.16Å; L182-I184 VanDerWaalsContact C-N 3.31Å; L182-I184 PolarHBondContact O-N 3.21Å; I184-E186 PolarHBondContact O-N 2.88Å; I184-E187 WeakPolarHBondContact O-CB 3.09Å; I184-E187 PolarHBondContact O-N 3.25Å; I184-E187 VanDerWaalsContact O-N 3.1Å; I184-F190 HydrophobicContact CG2-CD2 4.43Å; I184-F190 WeakPolarHBondContact O-CB 3.33Å
185	A	96.2	Very high	95.3	Very high	7 Å²	7	57.9 Å²	57.9	6%	0.058	28%	0.281	C	S	.	.	H	α-helix	trans	-67	-15.8	177.1	0	0	0	0	0	113.5	F181 L182 Q183 F190 A218 R221	F181-A185 HydrophobicContact CE1-CB 4.47Å; F181-A185 WeakPolarHBondContact O-CB 3.42Å; F181-A185 PolarHBondContact O-N 2.78Å; L182-A185 PolarHBondContact O-N 2.6Å; Q183-A185 VanDerWaalsContact C-N 3.34Å; Q183-A185 PolarHBondContact O-N 2.88Å; A185-F190 HydrophobicContact CB-CD1 4.33Å; A185-F190 HydrophobicContact CB-CD2 4.31Å; A185-F190 HydrophobicContact CB-CE1 4.12Å; A185-F190 HydrophobicContact CB-CE2 4.11Å; A185-F190 HydrophobicContact CB-CG 4.42Å; A185-F190 HydrophobicContact CB-CZ 4Å; A185-A218 HydrophobicContact CB-CB 3.79Å; A185-R221 PolarHBondContact O-NH1 3.2Å
186	E	95.6	Very high	95.3	Very high	143 Å²	143	60.5 Å²	60.5	67%	0.668	29%	0.287	S	S	*	.	H	α-helix	trans	-79.7	-21.9	173	-72.7	177.6	-175.8	0	0	112.9	L182 Q183 I184 R221	L182-E186 PolarHBondContact O-N 3.49Å; Q183-E186 WeakPolarHBondContact O-CB 3.46Å; Q183-E186 PolarHBondContact O-N 3.15Å; I184-E186 PolarHBondContact O-N 2.88Å; E186-R221 PolarHBondContact O-NH1 2.86Å; E186-R221 PolarHBondContact O-NH2 2.97Å
187	E	95.8	Very high	95.2	Very high	74 Å²	74	60.2 Å²	60.2	35%	0.346	28%	0.284	S	S	.	.	S	Bend	trans	-74.2	154.7	-179.3	-62.5	-58.5	148	0	0	113.7	V151 I184 F190	V151-E187 HydrophobicContact CG1-CG 4.06Å; I184-E187 WeakPolarHBondContact O-CB 3.09Å; I184-E187 PolarHBondContact O-N 3.25Å; I184-E187 VanDerWaalsContact O-N 3.1Å; E187-F190 WeakPolarHBondContact O-CB 3.41Å; E187-F190 PolarHBondContact O-N 2.99Å
188	E	93.9	Very high	95.2	Very high	114 Å²	114	60.1 Å²	60.1	53%	0.533	28%	0.284	S	S	.	.	S	Bend	trans	-70.5	-33.9	176.8	-72.6	-62.9	130.9	0	0	112.5	F190 L191 H192 R221	E188-F190 PolarHBondContact O-N 3.46Å; E188-F190 VanDerWaalsContact O-N 3.16Å; E188-L191 WeakPolarHBondContact O-CB 3.26Å; E188-L191 PolarHBondContact O-N 3.12Å; E188-H192 PolarHBondContact O-ND1 3.37Å; E188-R221 IonicContact OE1-NH2 3.55Å; E188-R221 PolarHBondContact OE1-NH2 2.97Å; E188-R221 VanDerWaalsContact OE1-NH2 3.08Å
189	D	92.9	Very high	95.3	Very high	67 Å²	67	60.8 Å²	60.8	36%	0.358	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-60.8	-26.3	177	-76	-5	0	0	0	111.8	L155 N156 L191 H192	L155-D189 HydrophobicContact CD1-CB 3.87Å; N156-D189 PolarHBondContact ND2-OD2 3.46Å; D189-L191 VanDerWaalsContact C-N 3.26Å; D189-L191 PolarHBondContact O-N 3.18Å; D189-H192 PolarHBondContact O-N 3.42Å; D189-H192 VanDerWaalsContact O-N 3.16Å
190	F	96	Very high	95.4	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.009	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-61.5	-33.6	175.4	-179.9	-100.5	0	0	0	112.7	L155 F181 I184 A185 E187 E188 H192 I193 L198 A218 W222	L155-F190 HydrophobicContact CD1-CB 4.16Å; F181-F190 HydrophobicContact CE2-CE2 4.09Å; F181-F190 HydrophobicContact CZ-CE2 4.15Å; F181-F190 HydrophobicContact CZ-CZ 4.19Å; I184-F190 HydrophobicContact CG2-CD2 4.43Å; I184-F190 WeakPolarHBondContact O-CB 3.33Å; A185-F190 HydrophobicContact CB-CD1 4.33Å; A185-F190 HydrophobicContact CB-CD2 4.31Å; A185-F190 HydrophobicContact CB-CE1 4.12Å; A185-F190 HydrophobicContact CB-CE2 4.11Å; A185-F190 HydrophobicContact CB-CG 4.42Å; A185-F190 HydrophobicContact CB-CZ 4Å; E187-F190 WeakPolarHBondContact O-CB 3.41Å; E187-F190 PolarHBondContact O-N 2.99Å; E188-F190 PolarHBondContact O-N 3.46Å; E188-F190 VanDerWaalsContact O-N 3.16Å; F190-H192 PolarHBondContact O-N 2.97Å; F190-H192 VanDerWaalsContact O-N 3.13Å; F190-I193 HydrophobicContact CD2-CD1 3.78Å; F190-I193 HydrophobicContact CE2-CD1 3.58Å; F190-I193 HydrophobicContact CZ-CD1 4.17Å; F190-I193 VanDerWaalsContact O-CG1 3.31Å; F190-I193 WeakPolarHBondContact O-CG1 3.46Å; F190-I193 PolarHBondContact O-N 3.18Å; F190-L198 HydrophobicContact CE2-CD1 4.22Å; F190-L198 HydrophobicContact CZ-CD1 3.68Å; F190-A218 HydrophobicContact CE1-CB 4.47Å; F190-A218 HydrophobicContact CZ-CB 4.37Å; F190-W222 HydrophobicContact CE1-CB 4.01Å
191	L	95.8	Very high	95.4	Very high	7 Å²	7	53.7 Å²	53.7	4%	0.037	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-67	-15.9	-179.2	-55.7	178.4	0	0	0	112.7	E188 D189 R221 H225 R229	E188-L191 WeakPolarHBondContact O-CB 3.26Å; E188-L191 PolarHBondContact O-N 3.12Å; D189-L191 VanDerWaalsContact C-N 3.26Å; D189-L191 PolarHBondContact O-N 3.18Å; L191-R221 HydrophobicContact CD2-CG 3.87Å; L191-H225 HydrophobicContact CB-CB 4.37Å; L191-H225 WeakPolarHBondContact CD1-ND1 3.35Å; L191-H225 HydrophobicContact CD2-CB 4.3Å; L191-R229 PolarHBondContact O-NH1 2.95Å; L191-R229 PolarHBondContact O-NH2 3.23Å
192	H	93.8	Very high	95.4	Very high	126 Å²	126	53.7 Å²	53.7	58%	0.583	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-99.8	-4.3	-176.4	-59.3	82.4	0	0	0	113.2	E188 D189 F190	E188-H192 PolarHBondContact O-ND1 3.37Å; D189-H192 PolarHBondContact O-N 3.42Å; D189-H192 VanDerWaalsContact O-N 3.16Å; F190-H192 PolarHBondContact O-N 2.97Å; F190-H192 VanDerWaalsContact O-N 3.13Å
193	I	94.4	Very high	95.5	Very high	15 Å²	15	56.2 Å²	56.2	8%	0.077	27%	0.272	C	S	.	.	S	Bend	trans	-66.8	146	178.3	74.3	-176.9	0	0	0	111	L155 F190 L198 W222	L155-I193 HydrophobicContact CD1-CG2 4.09Å; L155-I193 HydrophobicContact CD2-CG2 4.08Å; F190-I193 HydrophobicContact CD2-CD1 3.78Å; F190-I193 HydrophobicContact CE2-CD1 3.58Å; F190-I193 HydrophobicContact CZ-CD1 4.17Å; F190-I193 VanDerWaalsContact O-CG1 3.31Å; F190-I193 WeakPolarHBondContact O-CG1 3.46Å; F190-I193 PolarHBondContact O-N 3.18Å; I193-L198 HydrophobicContact CD1-CB 3.97Å; I193-L198 HydrophobicContact CD1-CD1 4.31Å; I193-L198 HydrophobicContact CG1-CB 4.42Å; I193-W222 PolarHBondContact O-NE1 3.26Å
194	P	94.3	Very high	95.5	Very high	76 Å²	76	52.4 Å²	52.4	49%	0.494	26%	0.256	S	S	.	.			trans	-69.2	150.5	176.1	27.4	-32.1	0	0	0	111.1	E196 R197 L198	P194-E196 VanDerWaalsContact C-N 3.26Å; P194-E196 PolarHBondContact O-N 2.99Å; P194-R197 HydrophobicContact CG-CB 3.85Å; P194-R197 WeakPolarHBondContact O-CB 3.44Å; P194-R197 PolarHBondContact O-N 3Å; P194-L198 PolarHBondContact O-N 2.84Å
195	M	95.6	Very high	95.4	Very high	55 Å²	55	54.1 Å²	54.1	27%	0.271	27%	0.266	S	S	.	.	H	α-helix	trans	-53.7	-43	-177.9	-172.4	173.3	67.3	0	0	112.6	R197 L198 V199 W222 E235 V236	M195-R197 PolarHBondContact O-N 2.88Å; M195-L198 PolarHBondContact O-N 2.52Å; M195-L198 VanDerWaalsContact O-N 3.13Å; M195-V199 HydrophobicContact CG-CG2 4.29Å; M195-V199 WeakPolarHBondContact O-CB 3.34Å; M195-V199 WeakPolarHBondContact O-CG2 3.07Å; M195-V199 PolarHBondContact O-N 3.25Å; M195-W222 HydrophobicContact CB-CH2 3.64Å; M195-W222 HydrophobicContact CB-CZ2 4.09Å; M195-W222 HydrophobicContact CG-CH2 3.85Å; M195-W222 HydrophobicContact CG-CZ3 4.35Å; M195-E235 WeakPolarHBondContact CE-OE2 3.38Å; M195-E235 HydrophobicContact SD-CB 4.38Å; M195-V236 HydrophobicContact CG-CG2 3.91Å; M195-V236 HydrophobicContact SD-CG2 4.25Å
196	E	95	Very high	95.3	Very high	154 Å²	154	59.8 Å²	59.8	72%	0.72	29%	0.289	S	S	*	.	H	α-helix	trans	-56.5	-35.2	179	-61.9	142.8	-178.3	0	0	111.8	P194 F200	P194-E196 VanDerWaalsContact C-N 3.26Å; P194-E196 PolarHBondContact O-N 2.99Å; E196-F200 VanDerWaalsContact O-CB 3.28Å; E196-F200 WeakPolarHBondContact O-CB 3.31Å; E196-F200 PolarHBondContact O-N 3.31Å
197	R	94.9	Very high	95.2	Very high	43 Å²	43	53.2 Å²	53.2	16%	0.162	26%	0.258	C	S	.	.	H	α-helix	trans	-76.2	-40.5	179.9	-166.4	60.8	159.2	159.9	1.1	111.6	D174 P194 M195 F200 F201	D174-R197 IonicContact OD1-CZ 2.66Å; D174-R197 IonicContact OD1-NH1 3.84Å; D174-R197 PolarHBondContact OD1-NH1 3.47Å; D174-R197 IonicContact OD1-NH2 3.54Å; D174-R197 PolarHBondContact OD1-NH2 3.19Å; D174-R197 IonicContact OD2-NH1 3.92Å; D174-R197 PolarHBondContact OD2-NH1 3.35Å; P194-R197 HydrophobicContact CG-CB 3.85Å; P194-R197 WeakPolarHBondContact O-CB 3.44Å; P194-R197 PolarHBondContact O-N 3Å; M195-R197 PolarHBondContact O-N 2.88Å; R197-F200 WeakPolarHBondContact O-CB 3.43Å; R197-F200 PolarHBondContact O-N 3.39Å; R197-F201 HydrophobicContact CG-CD2 4.44Å; R197-F201 HydrophobicContact CG-CE2 3.7Å; R197-F201 HydrophobicContact CG-CZ 4.16Å; R197-F201 WeakPolarHBondContact O-CD2 3.45Å; R197-F201 PolarHBondContact O-N 2.93Å
198	L	96.5	Very high	95	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.5	-49.4	172.6	179.2	60.2	0	0	0	111.1	F181 F190 I193 P194 M195 F200 F201 L202 W222 V236	F181-L198 HydrophobicContact CZ-CD1 4.4Å; F190-L198 HydrophobicContact CE2-CD1 4.22Å; F190-L198 HydrophobicContact CZ-CD1 3.68Å; I193-L198 HydrophobicContact CD1-CB 3.97Å; I193-L198 HydrophobicContact CD1-CD1 4.31Å; I193-L198 HydrophobicContact CG1-CB 4.42Å; P194-L198 PolarHBondContact O-N 2.84Å; M195-L198 PolarHBondContact O-N 2.52Å; M195-L198 VanDerWaalsContact O-N 3.13Å; L198-F200 VanDerWaalsContact C-N 3.28Å; L198-F200 PolarHBondContact O-N 2.9Å; L198-F201 PolarHBondContact O-N 2.71Å; L198-F201 VanDerWaalsContact O-N 3.07Å; L198-L202 HydrophobicContact CD1-CD1 3.99Å; L198-L202 HydrophobicContact CD1-CG 4.02Å; L198-L202 HydrophobicContact CD2-CD1 4.4Å; L198-L202 HydrophobicContact CG-CD1 3.86Å; L198-L202 HydrophobicContact CG-CG 4.26Å; L198-L202 WeakPolarHBondContact O-CG 3.47Å; L198-L202 PolarHBondContact O-N 3.44Å; L198-W222 HydrophobicContact CD2-CB 4.01Å; L198-W222 HydrophobicContact CD2-CD2 3.5Å; L198-W222 VanDerWaalsContact CD2-CD2 3.5Å; L198-W222 HydrophobicContact CD2-CE3 3.56Å; L198-W222 HydrophobicContact CD2-CG 3.69Å; L198-W222 HydrophobicContact CD2-CZ3 4.26Å; L198-V236 HydrophobicContact CD2-CG1 3.76Å; L198-V236 HydrophobicContact CD2-CG2 4.4Å; L198-V236 HydrophobicContact CG-CG1 4.36Å
199	V	97.6	Very high	94.7	Very high	25 Å²	25	51.7 Å²	51.7	15%	0.152	25%	0.253	C	S	.	.	H	α-helix	trans	-57.1	-43	176.3	166.4	0	0	0	0	110.9	M195 F201 L202 Q203 V236 H239	M195-V199 HydrophobicContact CG-CG2 4.29Å; M195-V199 WeakPolarHBondContact O-CB 3.34Å; M195-V199 WeakPolarHBondContact O-CG2 3.07Å; M195-V199 PolarHBondContact O-N 3.25Å; V199-F201 VanDerWaalsContact C-N 3.28Å; V199-F201 PolarHBondContact O-N 2.92Å; V199-L202 PolarHBondContact O-N 2.99Å; V199-Q203 WeakPolarHBondContact O-CB 3.35Å; V199-Q203 VanDerWaalsContact O-CG 3.26Å; V199-Q203 WeakPolarHBondContact O-CG 3.46Å; V199-Q203 PolarHBondContact O-N 3.19Å; V199-V236 HydrophobicContact CG2-CG2 4.32Å; V199-H239 WeakPolarHBondContact CG1-NE2 3.35Å
200	F	96.3	Very high	94.7	Very high	67 Å²	67	49.2 Å²	49.2	29%	0.294	24%	0.24	S	C	.	.	H	α-helix	trans	-55.4	-40.5	175.3	168.6	-98.6	0	0	0	113.3	F178 E196 R197 L198 Q203	F178-F200 HydrophobicContact CE2-CE1 4.27Å; F178-F200 HydrophobicContact CE2-CZ 4.33Å; F178-F200 AromaticContact CZ-CE1 3.75Å; F178-F200 HydrophobicContact CZ-CE1 3.75Å; F178-F200 AromaticContact CZ-CZ 3.94Å; F178-F200 HydrophobicContact CZ-CZ 3.94Å; E196-F200 VanDerWaalsContact O-CB 3.28Å; E196-F200 WeakPolarHBondContact O-CB 3.31Å; E196-F200 PolarHBondContact O-N 3.31Å; R197-F200 WeakPolarHBondContact O-CB 3.43Å; R197-F200 PolarHBondContact O-N 3.39Å; L198-F200 VanDerWaalsContact C-N 3.28Å; L198-F200 PolarHBondContact O-N 2.9Å; F200-Q203 WeakPolarHBondContact O-CG 3.27Å
201	F	96	Very high	94.5	Very high	3 Å²	3	50.9 Å²	50.9	1%	0.013	25%	0.252	C	S	.	.	H	α-helix	trans	-74.1	-48.1	175.7	-61.2	-51.5	0	0	0	111.9	T177 F178 F181 R197 L198 V199 Q203 S204 L207	T177-F201 HydrophobicContact CG2-CD1 4.16Å; T177-F201 HydrophobicContact CG2-CD2 4.39Å; T177-F201 HydrophobicContact CG2-CE1 3.64Å; T177-F201 HydrophobicContact CG2-CE2 3.89Å; T177-F201 HydrophobicContact CG2-CZ 3.5Å; T177-F201 VanDerWaalsContact CG2-CZ 3.5Å; F178-F201 HydrophobicContact CD1-CD1 4.25Å; F178-F201 AromaticContact CE1-CD1 3.7Å; F178-F201 HydrophobicContact CE1-CD1 3.7Å; F178-F201 HydrophobicContact CE1-CE1 4.46Å; F178-F201 HydrophobicContact CZ-CD1 4.05Å; F178-F201 HydrophobicContact CZ-CE1 4.48Å; F181-F201 HydrophobicContact CD2-CB 4.13Å; F181-F201 HydrophobicContact CD2-CG 4.32Å; F181-F201 HydrophobicContact CE2-CB 3.66Å; F181-F201 HydrophobicContact CE2-CD2 4.05Å; F181-F201 HydrophobicContact CE2-CG 4.06Å; F181-F201 HydrophobicContact CZ-CB 4.48Å; R197-F201 HydrophobicContact CG-CD2 4.44Å; R197-F201 HydrophobicContact CG-CE2 3.7Å; R197-F201 HydrophobicContact CG-CZ 4.16Å; R197-F201 WeakPolarHBondContact O-CD2 3.45Å; R197-F201 PolarHBondContact O-N 2.93Å; L198-F201 PolarHBondContact O-N 2.71Å; L198-F201 VanDerWaalsContact O-N 3.07Å; V199-F201 VanDerWaalsContact C-N 3.28Å; V199-F201 PolarHBondContact O-N 2.92Å; F201-Q203 VanDerWaalsContact C-N 3.29Å; F201-Q203 PolarHBondContact O-N 2.88Å; F201-S204 VanDerWaalsContact O-CB 3.3Å; F201-S204 WeakPolarHBondContact O-CB 3.39Å; F201-S204 PolarHBondContact O-N 3.48Å; F201-L207 VanDerWaalsContact O-CD1 3.28Å; F201-L207 WeakPolarHBondContact O-CD1 3.15Å
202	L	96.7	Very high	94.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.3	-23.7	-176.9	-67.7	-179.4	0	0	0	114.1	F181 L198 V199 L215 A219 V236 H239 R294	F181-L202 HydrophobicContact CZ-CD2 4.35Å; L198-L202 HydrophobicContact CD1-CD1 3.99Å; L198-L202 HydrophobicContact CD1-CG 4.02Å; L198-L202 HydrophobicContact CD2-CD1 4.4Å; L198-L202 HydrophobicContact CG-CD1 3.86Å; L198-L202 HydrophobicContact CG-CG 4.26Å; L198-L202 WeakPolarHBondContact O-CG 3.47Å; L198-L202 PolarHBondContact O-N 3.44Å; V199-L202 PolarHBondContact O-N 2.99Å; L202-L215 HydrophobicContact CD2-CB 3.99Å; L202-L215 HydrophobicContact CD2-CD2 4.2Å; L202-L215 HydrophobicContact CD2-CG 4.46Å; L202-A219 HydrophobicContact CD1-CB 4.08Å; L202-V236 HydrophobicContact CD1-CG1 3.62Å; L202-H239 HydrophobicContact CB-CB 3.88Å; L202-R294 VanDerWaalsContact O-CZ 3.28Å; L202-R294 PolarHBondContact O-NH1 3.09Å; L202-R294 PolarHBondContact O-NH2 3.12Å
203	Q	95.9	Very high	94.6	Very high	103 Å²	103	45.8 Å²	45.8	48%	0.481	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-16	174.1	71.4	-175.1	-22.8	0	0	113.2	V199 F200 F201	V199-Q203 WeakPolarHBondContact O-CB 3.35Å; V199-Q203 VanDerWaalsContact O-CG 3.26Å; V199-Q203 WeakPolarHBondContact O-CG 3.46Å; V199-Q203 PolarHBondContact O-N 3.19Å; F200-Q203 WeakPolarHBondContact O-CG 3.27Å; F201-Q203 VanDerWaalsContact C-N 3.29Å; F201-Q203 PolarHBondContact O-N 2.88Å
204	S	95.4	Very high	94.7	Very high	18 Å²	18	47.7 Å²	47.7	13%	0.126	24%	0.239	C	C	.	.			trans	-79.6	143.1	-170.1	-174.4	0	0	0	0	113.4	F178 F201 K206 R294	F178-S204 VanDerWaalsContact CE1-OG 3.22Å; F178-S204 WeakPolarHBondContact CE1-OG 3.48Å; F178-S204 WeakPolarHBondContact CZ-OG 3.19Å; F201-S204 VanDerWaalsContact O-CB 3.3Å; F201-S204 WeakPolarHBondContact O-CB 3.39Å; F201-S204 PolarHBondContact O-N 3.48Å; S204-K206 VanDerWaalsContact C-N 3.31Å; S204-K206 WeakPolarHBondContact OG-CB 3.49Å; S204-K206 PolarHBondContact OG-N 3.45Å; S204-K206 VanDerWaalsContact OG-N 3.07Å; S204-R294 WeakPolarHBondContact O-CD 3.45Å; S204-R294 WeakPolarHBondContact O-CG 3.36Å; S204-R294 PolarHBondContact O-NH1 3.36Å
205	N	94.9	Very high	94.8	Very high	38 Å²	38	44 Å²	44	20%	0.203	22%	0.216	C	C	.	.	S	Bend	trans	-88.4	4.5	168.3	-75.4	-15.5	0	0	0	113.1	R241 N296	N205-R241 PolarHBondContact OD1-NH1 3.35Å; N205-R241 PolarHBondContact OD1-NH2 3.48Å; N205-N296 WeakPolarHBondContact CB-OD1 3.4Å; N205-N296 PolarHBondContact ND2-OD1 2.94Å
206	K	93.8	Very high	94.9	Very high	126 Å²	126	41.4 Å²	41.4	55%	0.548	20%	0.203	S	C	.	.			trans	-88.4	-12.9	-178.3	-61.5	-178.3	178.8	-179.1	0	113.5	F178 S204 K208	F178-K206 HydrophobicContact CB-CB 4.29Å; F178-K206 HydrophobicContact CD1-CB 3.95Å; F178-K206 HydrophobicContact CD2-CB 3.88Å; F178-K206 HydrophobicContact CD2-CD 4.06Å; F178-K206 HydrophobicContact CE1-CB 4.26Å; F178-K206 HydrophobicContact CE2-CB 4.2Å; F178-K206 HydrophobicContact CE2-CD 3.87Å; F178-K206 HydrophobicContact CG-CB 3.78Å; F178-K206 HydrophobicContact CZ-CB 4.39Å; F178-K206 HydrophobicContact CZ-CD 4.42Å; S204-K206 VanDerWaalsContact C-N 3.31Å; S204-K206 WeakPolarHBondContact OG-CB 3.49Å; S204-K206 PolarHBondContact OG-N 3.45Å; S204-K206 VanDerWaalsContact OG-N 3.07Å; K206-K208 PolarHBondContact O-N 3.21Å
207	L	93.8	Very high	95.1	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	19%	0.188	C	C	.	.			trans	-57.9	129.7	178.3	-73.7	167.1	0	0	0	110.7	F178 F181 F201 L215 Q599	F178-L207 HydrophobicContact CD1-CD2 3.89Å; F178-L207 HydrophobicContact CD1-CG 4.03Å; F181-L207 HydrophobicContact CB-CD2 3.49Å; F181-L207 VanDerWaalsContact CB-CD2 3.49Å; F181-L207 HydrophobicContact CD1-CD2 4.03Å; F181-L207 HydrophobicContact CD2-CD2 3.82Å; F181-L207 HydrophobicContact CG-CD2 3.49Å; F181-L207 VanDerWaalsContact CG-CD2 3.49Å; F201-L207 VanDerWaalsContact O-CD1 3.28Å; F201-L207 WeakPolarHBondContact O-CD1 3.15Å; L207-L215 HydrophobicContact CD1-CD1 3.94Å; L207-L215 HydrophobicContact CD1-CD2 3.89Å; L207-Q599 PolarHBondContact O-OE1 3.16Å
208	K	90.8	Very high	95.2	Very high	81 Å²	81	36.7 Å²	36.7	35%	0.352	18%	0.183	S	C	.	.			trans	-106.6	146.2	179.6	-58.7	-72.1	171	-177	0	109.6	F178 K206 C210 Q599	F178-K208 PolarHBondContact O-N 3.11Å; K206-K208 PolarHBondContact O-N 3.21Å; K208-C210 PolarHBondContact O-N 3.18Å; K208-C210 VanDerWaalsContact O-N 3.13Å; K208-C210 PolarHBondContact O-SG 3.27Å; K208-Q599 HydrophobicContact CD-CB 4.29Å
209	N	89	Confident	95.3	Very high	76 Å²	76	36.7 Å²	36.7	41%	0.406	18%	0.183	S	C	.	.	S	Bend	trans	56.6	28.9	172	-55.5	-38.1	0	0	0	115	L182 Q599 T601	L182-N209 WeakPolarHBondContact CD1-O 3.26Å; N209-Q599 PolarHBondContact N-O 3.25Å; N209-Q599 PolarHBondContact OD1-O 3.19Å; N209-T601 WeakPolarHBondContact OD1-CB 3.36Å; N209-T601 PolarHBondContact OD1-N 3.19Å; N209-T601 PolarHBondContact OD1-OG1 2.9Å
210	C	91.5	Very high	95.2	Very high	14 Å²	14	36 Å²	36	10%	0.095	18%	0.178	C	C	.	.			trans	-117	125.7	177.3	-55.7	0	0	0	0	109.2	L182 K208 L215 T600	L182-C210 HydrophobicContact CD2-CB 4.27Å; L182-C210 HydrophobicContact CG-CB 4.41Å; K208-C210 PolarHBondContact O-N 3.18Å; K208-C210 VanDerWaalsContact O-N 3.13Å; K208-C210 PolarHBondContact O-SG 3.27Å; C210-L215 HydrophobicContact CB-CD2 3.82Å; C210-L215 HydrophobicContact CB-CG 4.14Å; C210-T600 WeakPolarHBondContact O-CG2 3.36Å
211	S	93.8	Very high	95.2	Very high	38 Å²	38	36.6 Å²	36.6	27%	0.266	18%	0.179	S	C	.	.			trans	-82.3	162.9	163.1	72.6	0	0	0	0	110	I213 D214 L215	S211-I213 PolarHBondContact O-N 3.38Å; S211-I213 WeakPolarHBondContact OG-CG2 3.48Å; S211-D214 WeakPolarHBondContact CB-OD2 3.34Å; S211-D214 PolarHBondContact N-OD2 2.85Å; S211-D214 PolarHBondContact O-N 3.49Å; S211-D214 PolarHBondContact OG-N 2.99Å; S211-D214 PolarHBondContact OG-OD1 3.34Å; S211-D214 PolarHBondContact OG-OD2 3.24Å; S211-L215 WeakPolarHBondContact O-CG 3.47Å; S211-L215 PolarHBondContact O-N 3.33Å
212	E	95.5	Very high	95.3	Very high	11 Å²	11	36.8 Å²	36.8	5%	0.051	18%	0.18	C	C	.	.	H	α-helix	trans	-65.4	-30.3	178.5	-66.4	-65.4	149.7	0	0	112	D214 L215 F216 R241 L244 M245 R294	E212-D214 VanDerWaalsContact C-N 3.34Å; E212-L215 PolarHBondContact O-N 2.98Å; E212-F216 PolarHBondContact O-N 2.74Å; E212-R241 VanDerWaalsContact CD-CB 3.49Å; E212-R241 HydrophobicContact CG-CB 3.89Å; E212-R241 WeakPolarHBondContact OE2-CB 3.41Å; E212-R241 PolarHBondContact OE2-N 2.82Å; E212-L244 HydrophobicContact CG-CB 4.29Å; E212-M245 HydrophobicContact CB-CE 3.75Å; E212-M245 HydrophobicContact CB-CG 4.04Å; E212-M245 VanDerWaalsContact O-CE 3.29Å; E212-M245 WeakPolarHBondContact O-CE 3.3Å; E212-R294 IonicContact OE1-CZ 3.86Å; E212-R294 IonicContact OE1-NE 3.37Å; E212-R294 PolarHBondContact OE1-NE 3.47Å; E212-R294 IonicContact OE1-NH2 3.5Å; E212-R294 PolarHBondContact OE1-NH2 3.16Å; E212-R294 IonicContact OE2-CZ 2.78Å; E212-R294 IonicContact OE2-NE 3.43Å; E212-R294 IonicContact OE2-NH2 3.19Å; E212-R294 PolarHBondContact OE2-NH2 2.86Å
213	I	95.8	Very high	95.3	Very high	14 Å²	14	37 Å²	37	7%	0.072	18%	0.18	C	C	.	.	H	α-helix	trans	-67.6	-36.3	176.8	-174.8	63.3	0	0	0	111.4	S211 L215 F216 H217 M245 E249 V254	S211-I213 PolarHBondContact O-N 3.38Å; S211-I213 WeakPolarHBondContact OG-CG2 3.48Å; I213-L215 VanDerWaalsContact C-N 3.34Å; I213-L215 PolarHBondContact O-N 2.93Å; I213-F216 HydrophobicContact CD1-CD1 3.92Å; I213-F216 WeakPolarHBondContact O-CB 3.48Å; I213-F216 PolarHBondContact O-N 2.91Å; I213-H217 PolarHBondContact O-N 2.95Å; I213-M245 HydrophobicContact CD1-SD 4.43Å; I213-E249 VanDerWaalsContact CB-OE2 3.32Å; I213-E249 WeakPolarHBondContact CB-OE2 3.42Å; I213-E249 HydrophobicContact CD1-CB 4.41Å; I213-E249 HydrophobicContact CG1-CB 4.48Å; I213-E249 VanDerWaalsContact CG2-OE2 3.25Å; I213-E249 WeakPolarHBondContact CG2-OE2 3.47Å; I213-V254 HydrophobicContact CD1-CG2 3.86Å
214	D	95.9	Very high	95.2	Very high	55 Å²	55	38 Å²	38	29%	0.294	19%	0.185	S	C	.	.	H	α-helix	trans	-64.5	-42.2	174.8	-53.5	-43.7	0	0	0	111.2	L182 S211 E212 F216 H217 A218	L182-D214 HydrophobicContact CD1-CB 3.92Å; L182-D214 HydrophobicContact CD2-CB 3.46Å; L182-D214 VanDerWaalsContact CD2-CB 3.46Å; L182-D214 HydrophobicContact CG-CB 4.35Å; S211-D214 WeakPolarHBondContact CB-OD2 3.34Å; S211-D214 PolarHBondContact N-OD2 2.85Å; S211-D214 PolarHBondContact O-N 3.49Å; S211-D214 PolarHBondContact OG-N 2.99Å; S211-D214 PolarHBondContact OG-OD1 3.34Å; S211-D214 PolarHBondContact OG-OD2 3.24Å; E212-D214 VanDerWaalsContact C-N 3.34Å; D214-F216 VanDerWaalsContact C-N 3.31Å; D214-F216 PolarHBondContact O-N 2.87Å; D214-H217 PolarHBondContact O-N 3.22Å; D214-A218 PolarHBondContact O-N 2.91Å
215	L	97	Very high	95.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.6	-37	176.2	-61.4	-176.7	0	0	0	112	F181 L202 L207 C210 S211 E212 I213 A219 R294	F181-L215 HydrophobicContact CD1-CD2 3.66Å; F181-L215 HydrophobicContact CE1-CD2 3.43Å; F181-L215 VanDerWaalsContact CE1-CD2 3.43Å; F181-L215 HydrophobicContact CZ-CD2 4.4Å; L202-L215 HydrophobicContact CD2-CB 3.99Å; L202-L215 HydrophobicContact CD2-CD2 4.2Å; L202-L215 HydrophobicContact CD2-CG 4.46Å; L207-L215 HydrophobicContact CD1-CD1 3.94Å; L207-L215 HydrophobicContact CD1-CD2 3.89Å; C210-L215 HydrophobicContact CB-CD2 3.82Å; C210-L215 HydrophobicContact CB-CG 4.14Å; S211-L215 WeakPolarHBondContact O-CG 3.47Å; S211-L215 PolarHBondContact O-N 3.33Å; E212-L215 PolarHBondContact O-N 2.98Å; I213-L215 VanDerWaalsContact C-N 3.34Å; I213-L215 PolarHBondContact O-N 2.93Å; L215-A219 WeakPolarHBondContact O-CB 3.31Å; L215-A219 PolarHBondContact O-N 3.49Å; L215-R294 VanDerWaalsContact CD1-NE 3.29Å
216	F	97.9	Very high	95.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62	-48.8	172.8	172.6	-106.6	0	0	0	111.5	E212 I213 D214 A218 A219 I220 L237 V240 F242 M245 V254 V257 M260	E212-F216 PolarHBondContact O-N 2.74Å; I213-F216 HydrophobicContact CD1-CD1 3.92Å; I213-F216 WeakPolarHBondContact O-CB 3.48Å; I213-F216 PolarHBondContact O-N 2.91Å; D214-F216 VanDerWaalsContact C-N 3.31Å; D214-F216 PolarHBondContact O-N 2.87Å; F216-A218 PolarHBondContact O-N 3.38Å; F216-A219 PolarHBondContact O-N 3.29Å; F216-I220 HydrophobicContact CD1-CG1 4.41Å; F216-I220 HydrophobicContact CD2-CD1 4.46Å; F216-I220 HydrophobicContact CD2-CG1 3.91Å; F216-I220 HydrophobicContact CE1-CG1 4Å; F216-I220 HydrophobicContact CE2-CD1 3.73Å; F216-I220 HydrophobicContact CE2-CG1 3.44Å; F216-I220 VanDerWaalsContact CE2-CG1 3.44Å; F216-I220 HydrophobicContact CG-CG1 4.39Å; F216-I220 HydrophobicContact CZ-CD1 4.01Å; F216-I220 HydrophobicContact CZ-CG1 3.5Å; F216-I220 WeakPolarHBondContact O-CG1 3.31Å; F216-I220 PolarHBondContact O-N 3.4Å; F216-L237 HydrophobicContact CD2-CD2 4.28Å; F216-V240 HydrophobicContact CB-CG1 4.09Å; F216-F242 AromaticContact CD2-CE1 3.6Å; F216-F242 HydrophobicContact CD2-CE1 3.6Å; F216-F242 HydrophobicContact CD2-CZ 4.01Å; F216-F242 AromaticContact CE2-CE1 3.96Å; F216-F242 HydrophobicContact CE2-CE1 3.96Å; F216-F242 HydrophobicContact CE2-CZ 4.33Å; F216-F242 HydrophobicContact CG-CE1 4.34Å; F216-M245 HydrophobicContact CB-CE 3.93Å; F216-V254 HydrophobicContact CD1-CG2 3.92Å; F216-V254 HydrophobicContact CD2-CG1 4.44Å; F216-V254 HydrophobicContact CE1-CB 4.11Å; F216-V254 HydrophobicContact CE1-CG1 4.12Å; F216-V254 HydrophobicContact CE1-CG2 3.87Å; F216-V254 HydrophobicContact CE2-CG1 3.88Å; F216-V254 HydrophobicContact CG-CG2 4.38Å; F216-V254 HydrophobicContact CZ-CB 4.15Å; F216-V254 HydrophobicContact CZ-CG1 3.69Å; F216-V254 HydrophobicContact CZ-CG2 4.3Å; F216-V257 HydrophobicContact CE1-CG2 4.11Å; F216-V257 HydrophobicContact CZ-CB 4.35Å; F216-V257 HydrophobicContact CZ-CG2 3.93Å; F216-M260 HydrophobicContact CE2-CG 4Å; F216-M260 HydrophobicContact CE2-SD 3.85Å; F216-M260 HydrophobicContact CZ-CG 3.96Å; F216-M260 HydrophobicContact CZ-SD 4.42Å
217	H	97.6	Very high	94.9	Very high	90 Å²	90	44 Å²	44	42%	0.417	21%	0.214	S	C	.	.	H	α-helix	trans	-60.6	-43.5	178.1	-67.1	161.1	0	0	0	112.2	I213 D214 A219 I220 R221	I213-H217 PolarHBondContact O-N 2.95Å; D214-H217 PolarHBondContact O-N 3.22Å; H217-A219 PolarHBondContact O-N 3.44Å; H217-I220 PolarHBondContact O-N 2.91Å; H217-R221 WeakPolarHBondContact O-CB 3.35Å; H217-R221 PolarHBondContact O-N 3.1Å
218	A	97.6	Very high	94.8	Very high	7 Å²	7	47.6 Å²	47.6	6%	0.058	24%	0.244	C	C	.	.	H	α-helix	trans	-60.1	-44.8	175.3	0	0	0	0	0	111.9	F181 A185 F190 D214 F216 R221 W222	F181-A218 HydrophobicContact CE1-CB 4.15Å; A185-A218 HydrophobicContact CB-CB 3.79Å; F190-A218 HydrophobicContact CE1-CB 4.47Å; F190-A218 HydrophobicContact CZ-CB 4.37Å; D214-A218 PolarHBondContact O-N 2.91Å; F216-A218 PolarHBondContact O-N 3.38Å; A218-R221 PolarHBondContact O-N 3.17Å; A218-W222 PolarHBondContact O-N 3.46Å; A218-W222 VanDerWaalsContact O-N 3.11Å
219	A	97.7	Very high	94.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.2	-44	178	0	0	0	0	0	112.3	L202 L215 F216 H217 W222 L223 V236 L237	L202-A219 HydrophobicContact CD1-CB 4.08Å; L215-A219 WeakPolarHBondContact O-CB 3.31Å; L215-A219 PolarHBondContact O-N 3.49Å; F216-A219 PolarHBondContact O-N 3.29Å; H217-A219 PolarHBondContact O-N 3.44Å; A219-W222 PolarHBondContact O-N 3.48Å; A219-L223 WeakPolarHBondContact O-CB 3.3Å; A219-L223 VanDerWaalsContact O-CG 3.29Å; A219-L223 WeakPolarHBondContact O-CG 3.09Å; A219-L223 PolarHBondContact O-N 2.94Å; A219-V236 HydrophobicContact CB-CG1 3.89Å; A219-L237 HydrophobicContact CB-CD2 3.87Å
220	I	96.7	Very high	94.7	Very high	10 Å²	10	47.6 Å²	47.6	5%	0.051	24%	0.236	C	C	.	.	H	α-helix	trans	-65.3	-43.2	178.1	-69.4	-58.3	0	0	0	111.2	F216 H217 W222 L223 Q224 L237 V257 I259	F216-I220 HydrophobicContact CD1-CG1 4.41Å; F216-I220 HydrophobicContact CD2-CD1 4.46Å; F216-I220 HydrophobicContact CD2-CG1 3.91Å; F216-I220 HydrophobicContact CE1-CG1 4Å; F216-I220 HydrophobicContact CE2-CD1 3.73Å; F216-I220 HydrophobicContact CE2-CG1 3.44Å; F216-I220 VanDerWaalsContact CE2-CG1 3.44Å; F216-I220 HydrophobicContact CG-CG1 4.39Å; F216-I220 HydrophobicContact CZ-CD1 4.01Å; F216-I220 HydrophobicContact CZ-CG1 3.5Å; F216-I220 WeakPolarHBondContact O-CG1 3.31Å; F216-I220 PolarHBondContact O-N 3.4Å; H217-I220 PolarHBondContact O-N 2.91Å; I220-W222 VanDerWaalsContact C-N 3.29Å; I220-W222 PolarHBondContact O-N 2.92Å; I220-L223 HydrophobicContact CD1-CD1 4.34Å; I220-L223 PolarHBondContact O-N 3.03Å; I220-Q224 VanDerWaalsContact CG2-CD 3.47Å; I220-Q224 HydrophobicContact CG2-CG 4.03Å; I220-Q224 WeakPolarHBondContact O-CB 3.49Å; I220-Q224 VanDerWaalsContact O-CG 3.31Å; I220-Q224 WeakPolarHBondContact O-CG 3.45Å; I220-Q224 PolarHBondContact O-N 3.08Å; I220-L237 HydrophobicContact CD1-CD1 4.21Å; I220-L237 HydrophobicContact CD1-CD2 4.35Å; I220-V257 HydrophobicContact CD1-CG1 4.11Å; I220-V257 HydrophobicContact CG1-CG1 4.49Å; I220-V257 HydrophobicContact CG2-CG1 4.16Å; I220-I259 HydrophobicContact CD1-CD1 4.47Å
221	R	96.6	Very high	94.6	Very high	81 Å²	81	51.5 Å²	51.5	31%	0.306	27%	0.269	S	S	.	.	H	α-helix	trans	-57	-44.7	175.5	-171.5	-168.5	171.5	-178.5	0.9	111.2	A185 E186 E188 L191 H217 A218 H225	A185-R221 PolarHBondContact O-NH1 3.2Å; E186-R221 PolarHBondContact O-NH1 2.86Å; E186-R221 PolarHBondContact O-NH2 2.97Å; E188-R221 IonicContact OE1-NH2 3.55Å; E188-R221 PolarHBondContact OE1-NH2 2.97Å; E188-R221 VanDerWaalsContact OE1-NH2 3.08Å; L191-R221 HydrophobicContact CD2-CG 3.87Å; H217-R221 WeakPolarHBondContact O-CB 3.35Å; H217-R221 PolarHBondContact O-N 3.1Å; A218-R221 PolarHBondContact O-N 3.17Å; R221-H225 PolarHBondContact O-N 2.81Å
222	W	97.6	Very high	94.5	Very high	7 Å²	7	50 Å²	50	3%	0.027	26%	0.26	C	S	.	.	H	α-helix	trans	-66.9	-39.3	177.6	-177.4	93.9	0	0	0	113	F190 I193 M195 L198 A218 A219 I220 R229 V236	F190-W222 HydrophobicContact CE1-CB 4.01Å; I193-W222 PolarHBondContact O-NE1 3.26Å; M195-W222 HydrophobicContact CB-CH2 3.64Å; M195-W222 HydrophobicContact CB-CZ2 4.09Å; M195-W222 HydrophobicContact CG-CH2 3.85Å; M195-W222 HydrophobicContact CG-CZ3 4.35Å; L198-W222 HydrophobicContact CD2-CB 4.01Å; L198-W222 HydrophobicContact CD2-CD2 3.5Å; L198-W222 VanDerWaalsContact CD2-CD2 3.5Å; L198-W222 HydrophobicContact CD2-CE3 3.56Å; L198-W222 HydrophobicContact CD2-CG 3.69Å; L198-W222 HydrophobicContact CD2-CZ3 4.26Å; A218-W222 PolarHBondContact O-N 3.46Å; A218-W222 VanDerWaalsContact O-N 3.11Å; A219-W222 PolarHBondContact O-N 3.48Å; I220-W222 VanDerWaalsContact C-N 3.29Å; I220-W222 PolarHBondContact O-N 2.92Å; W222-R229 HydrophobicContact CH2-CB 4.4Å; W222-R229 HydrophobicContact CH2-CG 4.02Å; W222-R229 HydrophobicContact CZ3-CB 4.14Å; W222-R229 HydrophobicContact CZ3-CG 4.19Å; W222-R229 PolarHBondContact O-NH1 2.82Å; W222-V236 HydrophobicContact CZ3-CG2 4.01Å
223	L	96.1	Very high	94.5	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.016	26%	0.259	C	S	.	.	H	α-helix	trans	-69.3	-36.8	178.2	-76	167.6	0	0	0	112.6	A219 I220 H225 R229 V233 V236 L237 I259	A219-L223 WeakPolarHBondContact O-CB 3.3Å; A219-L223 VanDerWaalsContact O-CG 3.29Å; A219-L223 WeakPolarHBondContact O-CG 3.09Å; A219-L223 PolarHBondContact O-N 2.94Å; I220-L223 HydrophobicContact CD1-CD1 4.34Å; I220-L223 PolarHBondContact O-N 3.03Å; L223-H225 VanDerWaalsContact C-N 3.31Å; L223-R229 HydrophobicContact CD2-CB 4.26Å; L223-V233 HydrophobicContact CD1-CG2 4.25Å; L223-V233 HydrophobicContact CD2-CG2 3.99Å; L223-V236 HydrophobicContact CD1-CG1 4.44Å; L223-V236 HydrophobicContact CD2-CG2 4.33Å; L223-L237 HydrophobicContact CD1-CD1 4.3Å; L223-L237 HydrophobicContact CD1-CD2 4.16Å; L223-L237 HydrophobicContact CD1-CG 4.02Å; L223-I259 HydrophobicContact CB-CD1 4.41Å
224	Q	94.8	Very high	94.5	Very high	124 Å²	124	51.8 Å²	51.8	58%	0.579	27%	0.27	S	S	*	.	H	α-helix	trans	-76.5	-17	-178.7	-74.1	178	-21.5	0	0	113.5	I220 D226 I259	I220-Q224 VanDerWaalsContact CG2-CD 3.47Å; I220-Q224 HydrophobicContact CG2-CG 4.03Å; I220-Q224 WeakPolarHBondContact O-CB 3.49Å; I220-Q224 VanDerWaalsContact O-CG 3.31Å; I220-Q224 WeakPolarHBondContact O-CG 3.45Å; I220-Q224 PolarHBondContact O-N 3.08Å; Q224-D226 VanDerWaalsContact C-N 3.31Å; Q224-D226 PolarHBondContact O-N 2.75Å; Q224-I259 HydrophobicContact CG-CD1 4.25Å
225	H	94.9	Very high	94.4	Very high	89 Å²	89	54.3 Å²	54.3	41%	0.412	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-30.1	-179.6	-176.4	74.8	0	0	0	113.4	L191 R221 L223	L191-H225 HydrophobicContact CB-CB 4.37Å; L191-H225 WeakPolarHBondContact CD1-ND1 3.35Å; L191-H225 HydrophobicContact CD2-CB 4.3Å; R221-H225 PolarHBondContact O-N 2.81Å; L223-H225 VanDerWaalsContact C-N 3.31Å
226	D	92.7	Very high	94.4	Very high	64 Å²	64	54.3 Å²	54.3	34%	0.342	28%	0.28	S	S	.	.			trans	-142.2	116.9	-177.9	170.3	11.9	0	0	0	110.1	Q224 A228 R229	Q224-D226 VanDerWaalsContact C-N 3.31Å; Q224-D226 PolarHBondContact O-N 2.75Å; D226-A228 PolarHBondContact O-N 3.26Å; D226-A228 VanDerWaalsContact OD1-CB 3.29Å; D226-A228 WeakPolarHBondContact OD1-CB 3.49Å; D226-A228 PolarHBondContact OD1-N 3.29Å; D226-R229 HydrophobicContact CB-CG 3.97Å; D226-R229 VanDerWaalsContact O-CB 3.27Å; D226-R229 WeakPolarHBondContact O-CB 3.48Å; D226-R229 PolarHBondContact O-N 2.64Å; D226-R229 IonicContact OD2-NE 3.85Å; D226-R229 PolarHBondContact OD2-NE 2.99Å
227	E	88.9	Confident	94.4	Very high	157 Å²	157	54.3 Å²	54.3	73%	0.734	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-60.4	-26.9	-177.6	-67.3	-166.7	158.2	0	0	113.3	R229 R230	E227-R229 PolarHBondContact O-N 2.69Å; E227-R230 WeakPolarHBondContact O-CB 3.37Å; E227-R230 PolarHBondContact O-N 2.81Å; E227-R230 VanDerWaalsContact O-N 3.08Å
228	A	91.9	Very high	94.3	Very high	78 Å²	78	51.6 Å²	51.6	65%	0.645	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-62.2	-24.4	176.8	0	0	0	0	0	112.1	D226 R230	D226-A228 PolarHBondContact O-N 3.26Å; D226-A228 VanDerWaalsContact OD1-CB 3.29Å; D226-A228 WeakPolarHBondContact OD1-CB 3.49Å; D226-A228 PolarHBondContact OD1-N 3.29Å; A228-R230 PolarHBondContact O-N 3.49Å
229	R	92.4	Very high	94.3	Very high	41 Å²	41	53.6 Å²	53.6	16%	0.155	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-73.8	-10.6	178.5	-57.5	173.5	-174.5	178.8	0.5	113	L191 W222 L223 D226 E227 A231 G232	L191-R229 PolarHBondContact O-NH1 2.95Å; L191-R229 PolarHBondContact O-NH2 3.23Å; W222-R229 HydrophobicContact CH2-CB 4.4Å; W222-R229 HydrophobicContact CH2-CG 4.02Å; W222-R229 HydrophobicContact CZ3-CB 4.14Å; W222-R229 HydrophobicContact CZ3-CG 4.19Å; W222-R229 PolarHBondContact O-NH1 2.82Å; L223-R229 HydrophobicContact CD2-CB 4.26Å; D226-R229 HydrophobicContact CB-CG 3.97Å; D226-R229 VanDerWaalsContact O-CB 3.27Å; D226-R229 WeakPolarHBondContact O-CB 3.48Å; D226-R229 PolarHBondContact O-N 2.64Å; D226-R229 IonicContact OD2-NE 3.85Å; D226-R229 PolarHBondContact OD2-NE 2.99Å; E227-R229 PolarHBondContact O-N 2.69Å; R229-A231 PolarHBondContact O-N 3.29Å; R229-A231 VanDerWaalsContact O-N 3.12Å; R229-G232 PolarHBondContact O-N 3.1Å
230	R	86.7	Confident	94.3	Very high	116 Å²	116	53.6 Å²	53.6	44%	0.438	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-55.2	-30.8	175.7	-83.9	177.8	117.1	102.7	-6.9	112.8	E227 A228 G232 V233 E262	E227-R230 WeakPolarHBondContact O-CB 3.37Å; E227-R230 PolarHBondContact O-N 2.81Å; E227-R230 VanDerWaalsContact O-N 3.08Å; A228-R230 PolarHBondContact O-N 3.49Å; R230-G232 VanDerWaalsContact C-N 3.27Å; R230-G232 PolarHBondContact O-N 3.23Å; R230-V233 WeakPolarHBondContact O-CG2 3.44Å; R230-V233 PolarHBondContact O-N 3.5Å; R230-E262 IonicContact CZ-OE2 2.62Å; R230-E262 IonicContact NH2-OE2 2.73Å; R230-E262 PolarHBondContact NH2-OE2 3.03Å
231	A	89.4	Confident	94.3	Very high	96 Å²	96	54.1 Å²	54.1	79%	0.793	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-65.5	-29.5	176.4	0	0	0	0	0	113.3	R229	R229-A231 PolarHBondContact O-N 3.29Å; R229-A231 VanDerWaalsContact O-N 3.12Å
232	G	91.6	Very high	94.3	Very high	7 Å²	7	50.2 Å²	50.2	7%	0.072	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-95.4	7.8	-178	0	0	0	0	0	114.8	R229 R230 N234 E235 V236	R229-G232 PolarHBondContact O-N 3.1Å; R230-G232 VanDerWaalsContact C-N 3.27Å; R230-G232 PolarHBondContact O-N 3.23Å; G232-N234 VanDerWaalsContact C-N 3.26Å; G232-N234 PolarHBondContact O-N 2.84Å; G232-E235 PolarHBondContact O-N 3.21Å; G232-V236 PolarHBondContact O-N 3.07Å
233	V	95.1	Very high	94.3	Very high	6 Å²	6	49.9 Å²	49.9	4%	0.036	26%	0.264	C	S	.	.	H	α-helix	trans	-52	-45.4	-177.1	166.1	0	0	0	0	111.8	L223 R230 V236 L237 I259 C266	L223-V233 HydrophobicContact CD1-CG2 4.25Å; L223-V233 HydrophobicContact CD2-CG2 3.99Å; R230-V233 WeakPolarHBondContact O-CG2 3.44Å; R230-V233 PolarHBondContact O-N 3.5Å; V233-V236 PolarHBondContact O-N 3.22Å; V233-L237 HydrophobicContact CG1-CD1 3.71Å; V233-L237 HydrophobicContact CG1-CG 4.28Å; V233-L237 WeakPolarHBondContact O-CB 3.37Å; V233-L237 PolarHBondContact O-N 3.23Å; V233-I259 HydrophobicContact CB-CG2 4.36Å; V233-I259 HydrophobicContact CG1-CG2 3.49Å; V233-I259 VanDerWaalsContact CG1-CG2 3.49Å; V233-I259 HydrophobicContact CG2-CG2 3.88Å; V233-C266 VanDerWaalsContact CG1-SG 3.57Å
234	N	94.6	Very high	94.2	Very high	56 Å²	56	50.2 Å²	50.2	30%	0.299	27%	0.266	S	S	.	.	H	α-helix	trans	-65.1	-40.7	-179.9	179.7	56.9	0	0	0	112.3	G232 V236 C238 L265 Y269	G232-N234 VanDerWaalsContact C-N 3.26Å; G232-N234 PolarHBondContact O-N 2.84Å; N234-V236 PolarHBondContact O-N 3.05Å; N234-C238 WeakPolarHBondContact O-CB 3.41Å; N234-C238 PolarHBondContact O-N 2.87Å; N234-C238 VanDerWaalsContact O-N 3.07Å; N234-C238 PolarHBondContact O-SG 3.26Å; N234-L265 HydrophobicContact CB-CD1 3.97Å; N234-L265 WeakPolarHBondContact OD1-CD1 3.24Å; N234-Y269 PolarHBondContact OD1-OH 3.28Å
235	E	95.4	Very high	94.2	Very high	109 Å²	109	44.3 Å²	44.3	51%	0.509	24%	0.239	S	C	.	.	H	α-helix	trans	-63	-31.6	179.2	-63.7	-176.2	-154.8	0	0	111.6	M195 G232 H239	M195-E235 WeakPolarHBondContact CE-OE2 3.38Å; M195-E235 HydrophobicContact SD-CB 4.38Å; G232-E235 PolarHBondContact O-N 3.21Å; E235-H239 PolarHBondContact O-CD2 3.41Å; E235-H239 PolarHBondContact O-NE2 3.35Å
236	V	97	Very high	94.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-83.9	-55.8	177.1	179.9	0	0	0	0	111.7	M195 L198 V199 L202 A219 W222 L223 G232 V233 N234 C238 H239	M195-V236 HydrophobicContact CG-CG2 3.91Å; M195-V236 HydrophobicContact SD-CG2 4.25Å; L198-V236 HydrophobicContact CD2-CG1 3.76Å; L198-V236 HydrophobicContact CD2-CG2 4.4Å; L198-V236 HydrophobicContact CG-CG1 4.36Å; V199-V236 HydrophobicContact CG2-CG2 4.32Å; L202-V236 HydrophobicContact CD1-CG1 3.62Å; A219-V236 HydrophobicContact CB-CG1 3.89Å; W222-V236 HydrophobicContact CZ3-CG2 4.01Å; L223-V236 HydrophobicContact CD1-CG1 4.44Å; L223-V236 HydrophobicContact CD2-CG2 4.33Å; G232-V236 PolarHBondContact O-N 3.07Å; V233-V236 PolarHBondContact O-N 3.22Å; N234-V236 PolarHBondContact O-N 3.05Å; V236-C238 VanDerWaalsContact C-N 3.32Å; V236-C238 PolarHBondContact O-N 3.41Å; V236-H239 PolarHBondContact O-N 3.46Å
237	L	97	Very high	94.2	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-74.2	-19.1	-169.5	-65.7	-175.6	0	0	0	113.6	F216 A219 I220 L223 V233 H239 V240 F242 M260 Y269	F216-L237 HydrophobicContact CD2-CD2 4.28Å; A219-L237 HydrophobicContact CB-CD2 3.87Å; I220-L237 HydrophobicContact CD1-CD1 4.21Å; I220-L237 HydrophobicContact CD1-CD2 4.35Å; L223-L237 HydrophobicContact CD1-CD1 4.3Å; L223-L237 HydrophobicContact CD1-CD2 4.16Å; L223-L237 HydrophobicContact CD1-CG 4.02Å; V233-L237 HydrophobicContact CG1-CD1 3.71Å; V233-L237 HydrophobicContact CG1-CG 4.28Å; V233-L237 WeakPolarHBondContact O-CB 3.37Å; V233-L237 PolarHBondContact O-N 3.23Å; L237-H239 PolarHBondContact O-N 2.76Å; L237-H239 VanDerWaalsContact O-N 3.08Å; L237-V240 HydrophobicContact CD2-CG2 4.23Å; L237-V240 PolarHBondContact O-N 2.87Å; L237-F242 HydrophobicContact CB-CZ 4.42Å; L237-F242 WeakPolarHBondContact O-CE2 3.42Å; L237-M260 HydrophobicContact CD1-SD 3.74Å; L237-Y269 HydrophobicContact CB-CE2 4.5Å
238	C	96.4	Very high	94.5	Very high	32 Å²	32	36.9 Å²	36.9	22%	0.216	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.2	174.4	75.1	0	0	0	0	113.6	N234 V236 Y269 R290	N234-C238 WeakPolarHBondContact O-CB 3.41Å; N234-C238 PolarHBondContact O-N 2.87Å; N234-C238 VanDerWaalsContact O-N 3.07Å; N234-C238 PolarHBondContact O-SG 3.26Å; V236-C238 VanDerWaalsContact C-N 3.32Å; V236-C238 PolarHBondContact O-N 3.41Å; C238-Y269 HydrophobicContact CB-CE2 4.43Å; C238-Y269 WeakPolarHBondContact CB-OH 3.15Å; C238-R290 WeakPolarHBondContact O-CD 3.42Å
239	H	97.5	Very high	94.6	Very high	50 Å²	50	36 Å²	36	23%	0.231	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-8.1	178.4	-62.2	-60.4	0	0	0	114	V199 L202 E235 V236 L237 R294	V199-H239 WeakPolarHBondContact CG1-NE2 3.35Å; L202-H239 HydrophobicContact CB-CB 3.88Å; E235-H239 PolarHBondContact O-CD2 3.41Å; E235-H239 PolarHBondContact O-NE2 3.35Å; V236-H239 PolarHBondContact O-N 3.46Å; L237-H239 PolarHBondContact O-N 2.76Å; L237-H239 VanDerWaalsContact O-N 3.08Å; H239-R294 PolarHBondContact O-NH2 3.42Å
240	V	97.3	Very high	94.8	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-82.4	132	171	178.3	0	0	0	0	109.2	F216 L237 F242 M245	F216-V240 HydrophobicContact CB-CG1 4.09Å; L237-V240 HydrophobicContact CD2-CG2 4.23Å; L237-V240 PolarHBondContact O-N 2.87Å; V240-F242 HydrophobicContact CB-CD2 4.33Å; V240-F242 HydrophobicContact CB-CE1 4.38Å; V240-F242 HydrophobicContact CB-CE2 3.81Å; V240-F242 HydrophobicContact CB-CZ 3.84Å; V240-F242 HydrophobicContact CG1-CD1 4.06Å; V240-F242 HydrophobicContact CG1-CD2 4.26Å; V240-F242 HydrophobicContact CG1-CE1 3.79Å; V240-F242 HydrophobicContact CG1-CE2 4.01Å; V240-F242 HydrophobicContact CG1-CG 4.3Å; V240-F242 HydrophobicContact CG1-CZ 3.77Å; V240-F242 WeakPolarHBondContact O-CD2 3.34Å; V240-F242 PolarHBondContact O-N 2.97Å; V240-M245 HydrophobicContact CG1-CE 3.45Å; V240-M245 VanDerWaalsContact CG1-CE 3.45Å
241	R	96.9	Very high	95.3	Very high	20 Å²	20	31.7 Å²	31.7	8%	0.075	19%	0.192	C	C	.	.			trans	-95.3	66.1	-173.2	-54.1	-176.9	-169	-178.8	5.9	110.8	N205 E212 P243 L244 R290 V292 I293 R294	N205-R241 PolarHBondContact OD1-NH1 3.35Å; N205-R241 PolarHBondContact OD1-NH2 3.48Å; E212-R241 VanDerWaalsContact CD-CB 3.49Å; E212-R241 HydrophobicContact CG-CB 3.89Å; E212-R241 WeakPolarHBondContact OE2-CB 3.41Å; E212-R241 PolarHBondContact OE2-N 2.82Å; R241-P243 VanDerWaalsContact C-N 3.28Å; R241-P243 VanDerWaalsContact O-N 3.17Å; R241-L244 HydrophobicContact CB-CB 4.38Å; R241-L244 HydrophobicContact CB-CD1 4.04Å; R241-L244 HydrophobicContact CB-CG 4.22Å; R241-L244 WeakPolarHBondContact O-CA 3.18Å; R241-L244 WeakPolarHBondContact O-CB 3.28Å; R241-L244 PolarHBondContact O-N 2.93Å; R241-R290 WeakPolarHBondContact CB-O 3.43Å; R241-V292 VanDerWaalsContact CD-O 3.23Å; R241-V292 WeakPolarHBondContact CD-O 3.23Å; R241-V292 PolarHBondContact NH1-O 3.22Å; R241-I293 PolarHBondContact NH1-O 2.97Å; R241-I293 VanDerWaalsContact NH1-O 3.09Å; R241-R294 VanDerWaalsContact NH1-N 3.15Å
242	F	97.1	Very high	95.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-49.5	-37.5	179.7	-57.3	-81	0	0	0	115.1	F216 L237 V240 L244 M245 L250 V254 M260 Y269 A273	F216-F242 AromaticContact CD2-CE1 3.6Å; F216-F242 HydrophobicContact CD2-CE1 3.6Å; F216-F242 HydrophobicContact CD2-CZ 4.01Å; F216-F242 AromaticContact CE2-CE1 3.96Å; F216-F242 HydrophobicContact CE2-CE1 3.96Å; F216-F242 HydrophobicContact CE2-CZ 4.33Å; F216-F242 HydrophobicContact CG-CE1 4.34Å; L237-F242 HydrophobicContact CB-CZ 4.42Å; L237-F242 WeakPolarHBondContact O-CE2 3.42Å; V240-F242 HydrophobicContact CB-CD2 4.33Å; V240-F242 HydrophobicContact CB-CE1 4.38Å; V240-F242 HydrophobicContact CB-CE2 3.81Å; V240-F242 HydrophobicContact CB-CZ 3.84Å; V240-F242 HydrophobicContact CG1-CD1 4.06Å; V240-F242 HydrophobicContact CG1-CD2 4.26Å; V240-F242 HydrophobicContact CG1-CE1 3.79Å; V240-F242 HydrophobicContact CG1-CE2 4.01Å; V240-F242 HydrophobicContact CG1-CG 4.3Å; V240-F242 HydrophobicContact CG1-CZ 3.77Å; V240-F242 WeakPolarHBondContact O-CD2 3.34Å; V240-F242 PolarHBondContact O-N 2.97Å; F242-L244 PolarHBondContact O-N 3.33Å; F242-M245 HydrophobicContact CD1-CE 3.69Å; F242-M245 HydrophobicContact CD1-SD 3.9Å; F242-M245 HydrophobicContact CE1-CE 4.13Å; F242-M245 HydrophobicContact CG-CE 4.41Å; F242-M245 WeakPolarHBondContact O-CB 3.4Å; F242-M245 PolarHBondContact O-N 2.83Å; F242-L250 HydrophobicContact CB-CD2 4.27Å; F242-L250 HydrophobicContact CD1-CD2 4.48Å; F242-V254 HydrophobicContact CD1-CG1 3.95Å; F242-V254 HydrophobicContact CE1-CG1 3.71Å; F242-M260 HydrophobicContact CE1-CE 3.96Å; F242-M260 HydrophobicContact CZ-CE 3.92Å; F242-M260 HydrophobicContact CZ-SD 4.35Å; F242-Y269 HydrophobicContact CD2-CD2 4.44Å; F242-Y269 HydrophobicContact CD2-CG 4.24Å; F242-Y269 AromaticContact CE2-CD2 3.91Å; F242-Y269 HydrophobicContact CE2-CD2 3.91Å; F242-Y269 HydrophobicContact CE2-CG 4.18Å; F242-A273 HydrophobicContact CB-CB 3.73Å
243	P	96.4	Very high	95.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-58.7	-20.2	175.2	-26.8	37	0	0	0	114.6	R241 E272 A273 Y276 Q277 R290 T291	R241-P243 VanDerWaalsContact C-N 3.28Å; R241-P243 VanDerWaalsContact O-N 3.17Å; P243-E272 HydrophobicContact CG-CG 4.1Å; P243-A273 HydrophobicContact CG-CB 4.45Å; P243-Y276 HydrophobicContact CB-CD1 3.87Å; P243-Y276 HydrophobicContact CB-CD2 4.45Å; P243-Y276 HydrophobicContact CB-CE1 4.49Å; P243-Y276 HydrophobicContact CB-CG 3.84Å; P243-Y276 WeakPolarHBondContact O-CD1 3.46Å; P243-Q277 PolarHBondContact O-NE2 3.17Å; P243-R290 HydrophobicContact CG-CB 4.33Å; P243-T291 HydrophobicContact CB-CG2 3.9Å; P243-T291 HydrophobicContact CG-CG2 4.13Å
244	L	95	Very high	95.8	Very high	9 Å²	9	33.6 Å²	33.6	5%	0.047	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-93.4	14.7	175.5	-57.6	-174.9	0	0	0	112.4	E212 R241 F242 V292 H378	E212-L244 HydrophobicContact CG-CB 4.29Å; R241-L244 HydrophobicContact CB-CB 4.38Å; R241-L244 HydrophobicContact CB-CD1 4.04Å; R241-L244 HydrophobicContact CB-CG 4.22Å; R241-L244 WeakPolarHBondContact O-CA 3.18Å; R241-L244 WeakPolarHBondContact O-CB 3.28Å; R241-L244 PolarHBondContact O-N 2.93Å; F242-L244 PolarHBondContact O-N 3.33Å; L244-V292 VanDerWaalsContact CD1-O 3.3Å; L244-V292 WeakPolarHBondContact CD1-O 3.34Å; L244-H378 PolarHBondContact O-CE1 2.94Å; L244-H378 VanDerWaalsContact O-CE1 3.26Å; L244-H378 PolarHBondContact O-NE2 3.24Å
245	M	94.9	Very high	95.8	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	20%	0.195	C	C	.	.	S	Bend	trans	-96.6	139.9	169.9	-63.9	174.4	-170.5	0	0	110.2	E212 I213 F216 V240 F242 L250 V254 Q277	E212-M245 HydrophobicContact CB-CE 3.75Å; E212-M245 HydrophobicContact CB-CG 4.04Å; E212-M245 VanDerWaalsContact O-CE 3.29Å; E212-M245 WeakPolarHBondContact O-CE 3.3Å; I213-M245 HydrophobicContact CD1-SD 4.43Å; F216-M245 HydrophobicContact CB-CE 3.93Å; V240-M245 HydrophobicContact CG1-CE 3.45Å; V240-M245 VanDerWaalsContact CG1-CE 3.45Å; F242-M245 HydrophobicContact CD1-CE 3.69Å; F242-M245 HydrophobicContact CD1-SD 3.9Å; F242-M245 HydrophobicContact CE1-CE 4.13Å; F242-M245 HydrophobicContact CG-CE 4.41Å; F242-M245 WeakPolarHBondContact O-CB 3.4Å; F242-M245 PolarHBondContact O-N 2.83Å; M245-L250 HydrophobicContact CB-CD1 4.46Å; M245-L250 HydrophobicContact CB-CD2 3.84Å; M245-L250 HydrophobicContact CB-CG 3.84Å; M245-L250 HydrophobicContact CG-CD2 4.42Å; M245-L250 HydrophobicContact SD-CD2 3.82Å; M245-V254 HydrophobicContact SD-CG2 3.74Å; M245-Q277 PolarHBondContact O-NE2 3.03Å
246	P	93.6	Very high	95.8	Very high	30 Å²	30	34.4 Å²	34.4	20%	0.195	20%	0.198	C	C	.	.			trans	-51.8	145.5	164.6	-24	32.7	0	0	0	112	S248 E249 L250 L379	P246-S248 PolarHBondContact O-N 3.25Å; P246-S248 VanDerWaalsContact O-N 3.15Å; P246-E249 HydrophobicContact CB-CG 4.47Å; P246-E249 WeakPolarHBondContact CD-OE2 3.22Å; P246-E249 HydrophobicContact CG-CG 4.47Å; P246-E249 PolarHBondContact O-N 3.28Å; P246-E249 VanDerWaalsContact O-N 3.09Å; P246-L250 PolarHBondContact O-N 2.79Å; P246-L379 HydrophobicContact CG-CD2 4.05Å
247	S	93.3	Very high	95.8	Very high	54 Å²	54	35.4 Å²	35.4	38%	0.378	20%	0.204	S	C	.	.	H	α-helix	trans	-58.8	-29.6	-179.2	-48.8	0	0	0	0	113.9	V251	S247-V251 WeakPolarHBondContact O-CG2 3.36Å; S247-V251 PolarHBondContact O-N 3.33Å
248	S	94.4	Very high	95.6	Very high	69 Å²	69	40.8 Å²	40.8	48%	0.483	23%	0.233	S	C	.	.	H	α-helix	trans	-64.6	-45.9	175.2	49.4	0	0	0	0	111.9	P246 L250 V251 D252	P246-S248 PolarHBondContact O-N 3.25Å; P246-S248 VanDerWaalsContact O-N 3.15Å; S248-L250 VanDerWaalsContact C-N 3.33Å; S248-L250 PolarHBondContact O-N 2.97Å; S248-V251 PolarHBondContact O-N 3.37Å; S248-D252 VanDerWaalsContact O-CB 3.3Å; S248-D252 WeakPolarHBondContact O-CB 3.43Å; S248-D252 VanDerWaalsContact O-CG 3.26Å; S248-D252 PolarHBondContact O-N 2.91Å
249	E	95.6	Very high	95.5	Very high	60 Å²	60	39.8 Å²	39.8	28%	0.28	23%	0.225	S	C	.	.	H	α-helix	trans	-65.5	-37.9	179.5	-67.7	173.6	-163.9	0	0	111.7	I213 P246 V251 S253 V254	I213-E249 VanDerWaalsContact CB-OE2 3.32Å; I213-E249 WeakPolarHBondContact CB-OE2 3.42Å; I213-E249 HydrophobicContact CD1-CB 4.41Å; I213-E249 HydrophobicContact CG1-CB 4.48Å; I213-E249 VanDerWaalsContact CG2-OE2 3.25Å; I213-E249 WeakPolarHBondContact CG2-OE2 3.47Å; P246-E249 HydrophobicContact CB-CG 4.47Å; P246-E249 WeakPolarHBondContact CD-OE2 3.22Å; P246-E249 HydrophobicContact CG-CG 4.47Å; P246-E249 PolarHBondContact O-N 3.28Å; P246-E249 VanDerWaalsContact O-N 3.09Å; E249-V251 VanDerWaalsContact C-N 3.33Å; E249-V251 PolarHBondContact O-N 3.48Å; E249-S253 WeakPolarHBondContact O-CB 3.33Å; E249-S253 PolarHBondContact O-N 2.72Å; E249-V254 PolarHBondContact O-N 3.06Å; E249-V254 VanDerWaalsContact O-N 3.13Å
250	L	96.4	Very high	95.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.214	C	C	.	.	I	π-helix	trans	-61.1	-41.5	175.9	-69.9	172	0	0	0	112.2	F242 M245 P246 S248 V254 Q255 L270 A273 F274 Q277	F242-L250 HydrophobicContact CB-CD2 4.27Å; F242-L250 HydrophobicContact CD1-CD2 4.48Å; M245-L250 HydrophobicContact CB-CD1 4.46Å; M245-L250 HydrophobicContact CB-CD2 3.84Å; M245-L250 HydrophobicContact CB-CG 3.84Å; M245-L250 HydrophobicContact CG-CD2 4.42Å; M245-L250 HydrophobicContact SD-CD2 3.82Å; P246-L250 PolarHBondContact O-N 2.79Å; S248-L250 VanDerWaalsContact C-N 3.33Å; S248-L250 PolarHBondContact O-N 2.97Å; L250-V254 HydrophobicContact CD2-CG2 4.29Å; L250-Q255 VanDerWaalsContact O-CB 3.28Å; L250-Q255 WeakPolarHBondContact O-CB 3.22Å; L250-Q255 PolarHBondContact O-N 2.99Å; L250-L270 HydrophobicContact CD2-CD2 4.29Å; L250-A273 HydrophobicContact CD1-CB 3.78Å; L250-A273 HydrophobicContact CD2-CB 4.05Å; L250-F274 HydrophobicContact CB-CE1 3.91Å; L250-F274 HydrophobicContact CB-CZ 4.02Å; L250-F274 HydrophobicContact CD1-CD1 4.41Å; L250-F274 HydrophobicContact CD1-CE1 4.38Å; L250-Q277 HydrophobicContact CD1-CG 4.29Å
251	V	95.8	Very high	95.1	Very high	67 Å²	67	41.1 Å²	41.1	41%	0.406	24%	0.237	S	C	.	.	I	π-helix	trans	-79.3	-48.8	-178.3	175.2	0	0	0	0	111.4	S247 S248 E249 F274	S247-V251 WeakPolarHBondContact O-CG2 3.36Å; S247-V251 PolarHBondContact O-N 3.33Å; S248-V251 PolarHBondContact O-N 3.37Å; E249-V251 VanDerWaalsContact C-N 3.33Å; E249-V251 PolarHBondContact O-N 3.48Å; V251-F274 HydrophobicContact CG2-CE1 3.74Å; V251-F274 HydrophobicContact CG2-CZ 3.85Å
252	D	95.4	Very high	94.8	Very high	110 Å²	110	46 Å²	46	59%	0.588	26%	0.261	S	S	*	.	I	π-helix	trans	-78.9	-34.3	-169	-61.3	-24.9	0	0	0	112.1	S248 T256	S248-D252 VanDerWaalsContact O-CB 3.3Å; S248-D252 WeakPolarHBondContact O-CB 3.43Å; S248-D252 VanDerWaalsContact O-CG 3.26Å; S248-D252 PolarHBondContact O-N 2.91Å; D252-T256 VanDerWaalsContact O-CG2 3.26Å; D252-T256 WeakPolarHBondContact O-CG2 2.98Å; D252-T256 PolarHBondContact O-OG1 3.14Å; D252-T256 VanDerWaalsContact O-OG1 3.14Å
253	S	95.4	Very high	94.7	Very high	39 Å²	39	48.7 Å²	48.7	27%	0.273	28%	0.275	S	S	.	.	I	π-helix	trans	-114.3	-41.9	-172.5	-55	0	0	0	0	114	E249 T256 V257	E249-S253 WeakPolarHBondContact O-CB 3.33Å; E249-S253 PolarHBondContact O-N 2.72Å; S253-T256 PolarHBondContact O-OG1 3.11Å; S253-T256 VanDerWaalsContact O-OG1 3.11Å; S253-V257 WeakPolarHBondContact O-CG2 3.37Å
254	V	96.7	Very high	94.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.299	C	S	.	.	I	π-helix	trans	-83.9	-49.4	-172.9	-174.5	0	0	0	0	111.7	I213 F216 F242 M245 E249 L250 T256 V257 M260 L270	I213-V254 HydrophobicContact CD1-CG2 3.86Å; F216-V254 HydrophobicContact CD1-CG2 3.92Å; F216-V254 HydrophobicContact CD2-CG1 4.44Å; F216-V254 HydrophobicContact CE1-CB 4.11Å; F216-V254 HydrophobicContact CE1-CG1 4.12Å; F216-V254 HydrophobicContact CE1-CG2 3.87Å; F216-V254 HydrophobicContact CE2-CG1 3.88Å; F216-V254 HydrophobicContact CG-CG2 4.38Å; F216-V254 HydrophobicContact CZ-CB 4.15Å; F216-V254 HydrophobicContact CZ-CG1 3.69Å; F216-V254 HydrophobicContact CZ-CG2 4.3Å; F242-V254 HydrophobicContact CD1-CG1 3.95Å; F242-V254 HydrophobicContact CE1-CG1 3.71Å; M245-V254 HydrophobicContact SD-CG2 3.74Å; E249-V254 PolarHBondContact O-N 3.06Å; E249-V254 VanDerWaalsContact O-N 3.13Å; L250-V254 HydrophobicContact CD2-CG2 4.29Å; V254-T256 PolarHBondContact O-N 3.34Å; V254-V257 PolarHBondContact O-N 3.11Å; V254-M260 HydrophobicContact CG1-CE 3.78Å; V254-M260 HydrophobicContact CG1-CG 4.09Å; V254-M260 HydrophobicContact CG1-SD 4.39Å; V254-M260 WeakPolarHBondContact O-CB 3.31Å; V254-M260 WeakPolarHBondContact O-CG 3.12Å; V254-L270 HydrophobicContact CB-CD2 4.22Å; V254-L270 HydrophobicContact CG1-CD2 3.65Å
255	Q	95.4	Very high	94.6	Very high	88 Å²	88	55.2 Å²	55.2	41%	0.411	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-21.5	-177.2	-176.7	176.9	-13.1	0	0	113	L250 V257 V261 L270	L250-Q255 VanDerWaalsContact O-CB 3.28Å; L250-Q255 WeakPolarHBondContact O-CB 3.22Å; L250-Q255 PolarHBondContact O-N 2.99Å; Q255-V257 VanDerWaalsContact C-N 3.3Å; Q255-V257 PolarHBondContact O-N 3.38Å; Q255-V261 VanDerWaalsContact O-CG2 3.31Å; Q255-V261 WeakPolarHBondContact O-CG2 3.48Å; Q255-L270 HydrophobicContact CB-CD1 4.36Å; Q255-L270 HydrophobicContact CG-CD1 4.47Å
256	T	95.5	Very high	94.6	Very high	93 Å²	93	55.1 Å²	55.1	57%	0.571	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-12.6	-179.6	54.3	0	0	0	0	113.7	D252 S253 V254	D252-T256 VanDerWaalsContact O-CG2 3.26Å; D252-T256 WeakPolarHBondContact O-CG2 2.98Å; D252-T256 PolarHBondContact O-OG1 3.14Å; D252-T256 VanDerWaalsContact O-OG1 3.14Å; S253-T256 PolarHBondContact O-OG1 3.11Å; S253-T256 VanDerWaalsContact O-OG1 3.11Å; V254-T256 PolarHBondContact O-N 3.34Å
257	V	95.9	Very high	94.7	Very high	22 Å²	22	59.2 Å²	59.2	13%	0.133	32%	0.323	C	S	.	.	S	Bend	trans	-82.8	126.3	179.9	179.6	0	0	0	0	110.8	F216 I220 S253 V254 Q255 I259 M260 V261	F216-V257 HydrophobicContact CE1-CG2 4.11Å; F216-V257 HydrophobicContact CZ-CB 4.35Å; F216-V257 HydrophobicContact CZ-CG2 3.93Å; I220-V257 HydrophobicContact CD1-CG1 4.11Å; I220-V257 HydrophobicContact CG1-CG1 4.49Å; I220-V257 HydrophobicContact CG2-CG1 4.16Å; S253-V257 WeakPolarHBondContact O-CG2 3.37Å; V254-V257 PolarHBondContact O-N 3.11Å; Q255-V257 VanDerWaalsContact C-N 3.3Å; Q255-V257 PolarHBondContact O-N 3.38Å; V257-I259 VanDerWaalsContact C-N 3.29Å; V257-I259 HydrophobicContact CG1-CB 4.26Å; V257-I259 PolarHBondContact O-N 3.48Å; V257-M260 HydrophobicContact CB-CG 4.16Å; V257-M260 WeakPolarHBondContact O-CB 3.4Å; V257-M260 PolarHBondContact O-N 3.35Å; V257-V261 PolarHBondContact O-N 2.89Å
258	D	93.5	Very high	94.8	Very high	113 Å²	113	61.6 Å²	61.6	60%	0.604	33%	0.329	S	S	*	.	H	α-helix	trans	-52.5	-43.1	-176.6	-64.5	-27.9	0	0	0	113.4	M260 V261 E262	D258-M260 PolarHBondContact O-N 3.3Å; D258-V261 PolarHBondContact O-N 3.4Å; D258-E262 WeakPolarHBondContact O-CB 3.39Å; D258-E262 WeakPolarHBondContact O-CG 3.43Å; D258-E262 PolarHBondContact O-N 3.13Å
259	I	93.6	Very high	94.9	Very high	10 Å²	10	59.1 Å²	59.1	5%	0.051	31%	0.309	C	S	.	.	H	α-helix	trans	-55.6	-37.4	178	-62	174.5	0	0	0	111.2	I220 L223 Q224 V233 V257 V261 D263	I220-I259 HydrophobicContact CD1-CD1 4.47Å; L223-I259 HydrophobicContact CB-CD1 4.41Å; Q224-I259 HydrophobicContact CG-CD1 4.25Å; V233-I259 HydrophobicContact CB-CG2 4.36Å; V233-I259 HydrophobicContact CG1-CG2 3.49Å; V233-I259 VanDerWaalsContact CG1-CG2 3.49Å; V233-I259 HydrophobicContact CG2-CG2 3.88Å; V257-I259 VanDerWaalsContact C-N 3.29Å; V257-I259 HydrophobicContact CG1-CB 4.26Å; V257-I259 PolarHBondContact O-N 3.48Å; I259-V261 VanDerWaalsContact C-N 3.3Å; I259-V261 PolarHBondContact O-N 2.88Å; I259-D263 WeakPolarHBondContact O-CB 3.28Å; I259-D263 PolarHBondContact O-N 3.45Å
260	M	94.9	Very high	94.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-72.5	-24.4	-179.1	-65.4	-59.8	-62.5	0	0	113.2	F216 L237 F242 V254 V257 D258 C266 R267 L270	F216-M260 HydrophobicContact CE2-CG 4Å; F216-M260 HydrophobicContact CE2-SD 3.85Å; F216-M260 HydrophobicContact CZ-CG 3.96Å; F216-M260 HydrophobicContact CZ-SD 4.42Å; L237-M260 HydrophobicContact CD1-SD 3.74Å; F242-M260 HydrophobicContact CE1-CE 3.96Å; F242-M260 HydrophobicContact CZ-CE 3.92Å; F242-M260 HydrophobicContact CZ-SD 4.35Å; V254-M260 HydrophobicContact CG1-CE 3.78Å; V254-M260 HydrophobicContact CG1-CG 4.09Å; V254-M260 HydrophobicContact CG1-SD 4.39Å; V254-M260 WeakPolarHBondContact O-CB 3.31Å; V254-M260 WeakPolarHBondContact O-CG 3.12Å; V257-M260 HydrophobicContact CB-CG 4.16Å; V257-M260 WeakPolarHBondContact O-CB 3.4Å; V257-M260 PolarHBondContact O-N 3.35Å; D258-M260 PolarHBondContact O-N 3.3Å; M260-C266 HydrophobicContact CE-CB 3.89Å; M260-C266 HydrophobicContact SD-CB 3.77Å; M260-R267 WeakPolarHBondContact O-CG 3.4Å; M260-L270 HydrophobicContact CB-CD1 4.12Å; M260-L270 HydrophobicContact CE-CD1 4.1Å; M260-L270 HydrophobicContact CE-CD2 4.19Å; M260-L270 HydrophobicContact CE-CG 3.74Å
261	V	91.3	Very high	94.9	Very high	79 Å²	79	62 Å²	62	48%	0.479	33%	0.326	S	S	.	.	H	α-helix	trans	-92	-41.4	-178.6	-178.7	0	0	0	0	111.4	Q255 V257 D258 I259 R267	Q255-V261 VanDerWaalsContact O-CG2 3.31Å; Q255-V261 WeakPolarHBondContact O-CG2 3.48Å; V257-V261 PolarHBondContact O-N 2.89Å; D258-V261 PolarHBondContact O-N 3.4Å; I259-V261 VanDerWaalsContact C-N 3.3Å; I259-V261 PolarHBondContact O-N 2.88Å; V261-R267 WeakPolarHBondContact O-CD 3.32Å; V261-R267 PolarHBondContact O-NE 2.76Å
262	E	91.4	Very high	94.9	Very high	123 Å²	123	60.8 Å²	60.8	58%	0.575	32%	0.315	S	S	*	.	H	α-helix	trans	-72	-45.2	-176.6	-68.9	177.8	170.9	0	0	112	R230 D258	R230-E262 IonicContact CZ-OE2 2.62Å; R230-E262 IonicContact NH2-OE2 2.73Å; R230-E262 PolarHBondContact NH2-OE2 3.03Å; D258-E262 WeakPolarHBondContact O-CB 3.39Å; D258-E262 WeakPolarHBondContact O-CG 3.43Å; D258-E262 PolarHBondContact O-N 3.13Å
263	D	93.8	Very high	95	Very high	55 Å²	55	55.5 Å²	55.5	29%	0.294	29%	0.287	S	S	.	.			trans	-74.1	142	-176.1	-175.7	-96.8	0	0	0	112.4	I259 L265 C266 R267	I259-D263 WeakPolarHBondContact O-CB 3.28Å; I259-D263 PolarHBondContact O-N 3.45Å; D263-L265 WeakPolarHBondContact OD1-CA 3.27Å; D263-L265 WeakPolarHBondContact OD1-CB 3.26Å; D263-L265 PolarHBondContact OD1-N 3.41Å; D263-C266 HydrophobicContact CB-CB 3.99Å; D263-C266 PolarHBondContact OD1-N 3.23Å; D263-R267 WeakPolarHBondContact O-CG 3.41Å; D263-R267 PolarHBondContact O-N 3.26Å; D263-R267 PolarHBondContact O-NE 2.92Å; D263-R267 VanDerWaalsContact O-NE 3.1Å
264	V	93.9	Very high	95	Very high	82 Å²	82	55.7 Å²	55.7	50%	0.497	28%	0.283	S	S	.	.	H	α-helix	trans	-72.8	-40.9	-178.1	179.4	0	0	0	0	111.3	Q268	V264-Q268 WeakPolarHBondContact O-CG 3.42Å; V264-Q268 PolarHBondContact O-N 3.13Å
265	L	95.4	Very high	95	Very high	64 Å²	64	59.5 Å²	59.5	34%	0.335	30%	0.304	S	S	.	.	H	α-helix	trans	-75.5	-38.8	-176.8	-62.8	175	0	0	0	110.9	N234 D263 R267 Q268 Y269	N234-L265 HydrophobicContact CB-CD1 3.97Å; N234-L265 WeakPolarHBondContact OD1-CD1 3.24Å; D263-L265 WeakPolarHBondContact OD1-CA 3.27Å; D263-L265 WeakPolarHBondContact OD1-CB 3.26Å; D263-L265 PolarHBondContact OD1-N 3.41Å; L265-R267 VanDerWaalsContact C-N 3.3Å; L265-R267 PolarHBondContact O-N 3.22Å; L265-Q268 WeakPolarHBondContact O-CA 3.35Å; L265-Q268 WeakPolarHBondContact O-CB 3.45Å; L265-Q268 PolarHBondContact O-N 3.06Å; L265-Y269 PolarHBondContact O-N 3.14Å
266	C	95.2	Very high	95	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.2	-40.5	173.2	-66.5	0	0	0	0	112.6	V233 M260 D263 Q268 Y269 L270	V233-C266 VanDerWaalsContact CG1-SG 3.57Å; M260-C266 HydrophobicContact CE-CB 3.89Å; M260-C266 HydrophobicContact SD-CB 3.77Å; D263-C266 HydrophobicContact CB-CB 3.99Å; D263-C266 PolarHBondContact OD1-N 3.23Å; C266-Q268 VanDerWaalsContact C-N 3.29Å; C266-Q268 PolarHBondContact O-N 2.92Å; C266-Y269 WeakPolarHBondContact O-CB 3.32Å; C266-Y269 PolarHBondContact O-N 2.83Å; C266-Y269 VanDerWaalsContact O-N 3.16Å; C266-L270 PolarHBondContact O-N 2.85Å; C266-L270 VanDerWaalsContact O-N 3.08Å
267	R	95.3	Very high	94.9	Very high	115 Å²	115	52.9 Å²	52.9	43%	0.434	27%	0.266	S	S	.	.	H	α-helix	trans	-62.4	-35.8	172.2	-75.7	-177.3	-71.4	161.9	-7.2	112.7	M260 V261 D263 L265 Y269 L270 L271	M260-R267 WeakPolarHBondContact O-CG 3.4Å; V261-R267 WeakPolarHBondContact O-CD 3.32Å; V261-R267 PolarHBondContact O-NE 2.76Å; D263-R267 WeakPolarHBondContact O-CG 3.41Å; D263-R267 PolarHBondContact O-N 3.26Å; D263-R267 PolarHBondContact O-NE 2.92Å; D263-R267 VanDerWaalsContact O-NE 3.1Å; L265-R267 VanDerWaalsContact C-N 3.3Å; L265-R267 PolarHBondContact O-N 3.22Å; R267-Y269 VanDerWaalsContact C-N 3.34Å; R267-L270 PolarHBondContact O-N 2.9Å; R267-L271 VanDerWaalsContact O-CG 3.31Å; R267-L271 WeakPolarHBondContact O-CG 3.42Å; R267-L271 PolarHBondContact O-N 2.98Å
268	Q	96.3	Very high	94.9	Very high	104 Å²	104	57.4 Å²	57.4	49%	0.486	29%	0.288	S	S	.	.	H	α-helix	trans	-65.5	-37.4	174.3	-68.7	176.3	3.5	0	0	111.7	V264 L265 C266 L271 E272	V264-Q268 WeakPolarHBondContact O-CG 3.42Å; V264-Q268 PolarHBondContact O-N 3.13Å; L265-Q268 WeakPolarHBondContact O-CA 3.35Å; L265-Q268 WeakPolarHBondContact O-CB 3.45Å; L265-Q268 PolarHBondContact O-N 3.06Å; C266-Q268 VanDerWaalsContact C-N 3.29Å; C266-Q268 PolarHBondContact O-N 2.92Å; Q268-L271 PolarHBondContact O-N 2.89Å; Q268-E272 WeakPolarHBondContact O-CB 3.29Å; Q268-E272 PolarHBondContact O-N 3.03Å
269	Y	96.5	Very high	95	Very high	18 Å²	18	54.9 Å²	54.9	7%	0.071	27%	0.274	C	S	.	.	H	α-helix	trans	-63.5	-42.7	174.4	-58.9	-32.6	0	0	0	112.6	N234 L237 C238 F242 L265 C266 R267 E272 A273	N234-Y269 PolarHBondContact OD1-OH 3.28Å; L237-Y269 HydrophobicContact CB-CE2 4.5Å; C238-Y269 HydrophobicContact CB-CE2 4.43Å; C238-Y269 WeakPolarHBondContact CB-OH 3.15Å; F242-Y269 HydrophobicContact CD2-CD2 4.44Å; F242-Y269 HydrophobicContact CD2-CG 4.24Å; F242-Y269 AromaticContact CE2-CD2 3.91Å; F242-Y269 HydrophobicContact CE2-CD2 3.91Å; F242-Y269 HydrophobicContact CE2-CG 4.18Å; L265-Y269 PolarHBondContact O-N 3.14Å; C266-Y269 WeakPolarHBondContact O-CB 3.32Å; C266-Y269 PolarHBondContact O-N 2.83Å; C266-Y269 VanDerWaalsContact O-N 3.16Å; R267-Y269 VanDerWaalsContact C-N 3.34Å; Y269-E272 PolarHBondContact O-N 3.35Å; Y269-A273 WeakPolarHBondContact O-CB 3.32Å; Y269-A273 PolarHBondContact O-N 3.35Å
270	L	96.2	Very high	95	Very high	13 Å²	13	56 Å²	56	7%	0.068	28%	0.282	C	S	.	.	H	α-helix	trans	-61.9	-45.2	173.7	-75.9	175.7	0	0	0	111.7	L250 V254 Q255 M260 C266 R267 E272 A273 F274	L250-L270 HydrophobicContact CD2-CD2 4.29Å; V254-L270 HydrophobicContact CB-CD2 4.22Å; V254-L270 HydrophobicContact CG1-CD2 3.65Å; Q255-L270 HydrophobicContact CB-CD1 4.36Å; Q255-L270 HydrophobicContact CG-CD1 4.47Å; M260-L270 HydrophobicContact CB-CD1 4.12Å; M260-L270 HydrophobicContact CE-CD1 4.1Å; M260-L270 HydrophobicContact CE-CD2 4.19Å; M260-L270 HydrophobicContact CE-CG 3.74Å; C266-L270 PolarHBondContact O-N 2.85Å; C266-L270 VanDerWaalsContact O-N 3.08Å; R267-L270 PolarHBondContact O-N 2.9Å; L270-E272 PolarHBondContact O-N 3.24Å; L270-A273 PolarHBondContact O-N 3Å; L270-F274 HydrophobicContact CB-CD2 4.36Å; L270-F274 HydrophobicContact CB-CE2 4.24Å; L270-F274 HydrophobicContact CD2-CE2 4.38Å; L270-F274 WeakPolarHBondContact O-CB 3.33Å; L270-F274 WeakPolarHBondContact O-CD2 3.35Å; L270-F274 PolarHBondContact O-N 2.97Å
271	L	95.8	Very high	95	Very high	107 Å²	107	59 Å²	59	56%	0.56	30%	0.295	S	S	*	.	H	α-helix	trans	-62.1	-41.5	177	-72.9	171.2	0	0	0	112.3	R267 Q268 N275	R267-L271 VanDerWaalsContact O-CG 3.31Å; R267-L271 WeakPolarHBondContact O-CG 3.42Å; R267-L271 PolarHBondContact O-N 2.98Å; Q268-L271 PolarHBondContact O-N 2.89Å; L271-N275 VanDerWaalsContact O-CB 3.3Å; L271-N275 WeakPolarHBondContact O-CB 3.48Å; L271-N275 PolarHBondContact O-N 3.35Å; L271-N275 PolarHBondContact O-ND2 3.1Å
272	E	96.6	Very high	95.2	Very high	41 Å²	41	61.2 Å²	61.2	19%	0.192	30%	0.295	C	S	.	.	H	α-helix	trans	-57.9	-50.6	172.7	-178.5	-174.2	-167.3	0	0	110.5	P243 Q268 Y269 L270 N275 Y276 S288 R290	P243-E272 HydrophobicContact CG-CG 4.1Å; Q268-E272 WeakPolarHBondContact O-CB 3.29Å; Q268-E272 PolarHBondContact O-N 3.03Å; Y269-E272 PolarHBondContact O-N 3.35Å; L270-E272 PolarHBondContact O-N 3.24Å; E272-N275 PolarHBondContact O-N 3.22Å; E272-Y276 WeakPolarHBondContact O-CB 3.18Å; E272-Y276 PolarHBondContact O-N 3.47Å; E272-S288 PolarHBondContact OE1-OG 2.66Å; E272-S288 VanDerWaalsContact OE1-OG 3.1Å; E272-R290 IonicContact OE1-NE 2.75Å; E272-R290 IonicContact OE1-NH2 2.93Å; E272-R290 IonicContact OE2-CZ 2.78Å; E272-R290 VanDerWaalsContact OE2-CZ 3.26Å; E272-R290 IonicContact OE2-NE 2.63Å; E272-R290 PolarHBondContact OE2-NE 3.25Å; E272-R290 IonicContact OE2-NH2 3.57Å; E272-R290 PolarHBondContact OE2-NH2 3.49Å
273	A	96.8	Very high	95.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.4	-47.2	-178.3	0	0	0	0	0	112.5	F242 P243 L250 Y269 L270 N275 Y276 Q277	F242-A273 HydrophobicContact CB-CB 3.73Å; P243-A273 HydrophobicContact CG-CB 4.45Å; L250-A273 HydrophobicContact CD1-CB 3.78Å; L250-A273 HydrophobicContact CD2-CB 4.05Å; Y269-A273 WeakPolarHBondContact O-CB 3.32Å; Y269-A273 PolarHBondContact O-N 3.35Å; L270-A273 PolarHBondContact O-N 3Å; A273-N275 PolarHBondContact O-N 2.73Å; A273-Y276 PolarHBondContact O-N 3.2Å; A273-Q277 WeakPolarHBondContact O-CG 3.47Å; A273-Q277 PolarHBondContact O-N 3.48Å
274	F	96	Very high	95.2	Very high	43 Å²	43	53.9 Å²	53.9	19%	0.189	26%	0.259	C	S	.	.	H	α-helix	trans	-61.7	-44.6	176.2	-75.6	-55.8	0	0	0	112	L250 V251 L270 Y276 Q277 I278	L250-F274 HydrophobicContact CB-CE1 3.91Å; L250-F274 HydrophobicContact CB-CZ 4.02Å; L250-F274 HydrophobicContact CD1-CD1 4.41Å; L250-F274 HydrophobicContact CD1-CE1 4.38Å; V251-F274 HydrophobicContact CG2-CE1 3.74Å; V251-F274 HydrophobicContact CG2-CZ 3.85Å; L270-F274 HydrophobicContact CB-CD2 4.36Å; L270-F274 HydrophobicContact CB-CE2 4.24Å; L270-F274 HydrophobicContact CD2-CE2 4.38Å; L270-F274 WeakPolarHBondContact O-CB 3.33Å; L270-F274 WeakPolarHBondContact O-CD2 3.35Å; L270-F274 PolarHBondContact O-N 2.97Å; F274-Y276 VanDerWaalsContact C-N 3.29Å; F274-Y276 PolarHBondContact O-N 3.12Å; F274-Q277 PolarHBondContact O-N 2.72Å; F274-I278 HydrophobicContact CB-CD1 4.4Å; F274-I278 VanDerWaalsContact O-CB 3.32Å; F274-I278 WeakPolarHBondContact O-CB 3.44Å; F274-I278 VanDerWaalsContact O-CG1 3.24Å; F274-I278 WeakPolarHBondContact O-CG1 3.3Å; F274-I278 PolarHBondContact O-N 3.09Å
275	N	96.3	Very high	95.1	Very high	80 Å²	80	56.9 Å²	56.9	43%	0.428	27%	0.265	S	S	.	.	H	α-helix	trans	-61.3	-40.1	176.3	-75.6	-38	0	0	0	111.5	L271 E272 A273 L279 M286	L271-N275 VanDerWaalsContact O-CB 3.3Å; L271-N275 WeakPolarHBondContact O-CB 3.48Å; L271-N275 PolarHBondContact O-N 3.35Å; L271-N275 PolarHBondContact O-ND2 3.1Å; E272-N275 PolarHBondContact O-N 3.22Å; A273-N275 PolarHBondContact O-N 2.73Å; N275-L279 VanDerWaalsContact O-CB 3.27Å; N275-L279 WeakPolarHBondContact O-CB 3.49Å; N275-L279 WeakPolarHBondContact O-CG 3.33Å; N275-L279 PolarHBondContact O-N 3.19Å; N275-L279 VanDerWaalsContact O-N 3.11Å; N275-M286 HydrophobicContact CB-CE 3.74Å
276	Y	95.9	Very high	95	Very high	7 Å²	7	56.3 Å²	56.3	3%	0.027	26%	0.262	C	S	.	.	H	α-helix	trans	-65	-39.2	178.6	-169.7	-94.3	0	0	0	112.4	P243 E272 A273 F274 Q283 M286 T291	P243-Y276 HydrophobicContact CB-CD1 3.87Å; P243-Y276 HydrophobicContact CB-CD2 4.45Å; P243-Y276 HydrophobicContact CB-CE1 4.49Å; P243-Y276 HydrophobicContact CB-CG 3.84Å; P243-Y276 WeakPolarHBondContact O-CD1 3.46Å; E272-Y276 WeakPolarHBondContact O-CB 3.18Å; E272-Y276 PolarHBondContact O-N 3.47Å; A273-Y276 PolarHBondContact O-N 3.2Å; F274-Y276 VanDerWaalsContact C-N 3.29Å; F274-Y276 PolarHBondContact O-N 3.12Å; Y276-Q283 HydrophobicContact CD1-CG 4.21Å; Y276-Q283 HydrophobicContact CD2-CB 4.37Å; Y276-Q283 HydrophobicContact CD2-CG 3.97Å; Y276-Q283 HydrophobicContact CE1-CG 3.98Å; Y276-Q283 HydrophobicContact CE2-CB 3.73Å; Y276-Q283 HydrophobicContact CE2-CG 3.7Å; Y276-Q283 HydrophobicContact CG-CG 4.21Å; Y276-Q283 WeakPolarHBondContact O-CG 3.45Å; Y276-Q283 PolarHBondContact O-NE2 3.49Å; Y276-M286 HydrophobicContact CD2-CB 3.98Å; Y276-M286 HydrophobicContact CD2-CE 4.47Å; Y276-M286 HydrophobicContact CE2-CB 4.37Å; Y276-T291 HydrophobicContact CD2-CG2 3.7Å; Y276-T291 HydrophobicContact CE2-CG2 3.52Å; Y276-T291 HydrophobicContact CG-CG2 4.42Å
277	Q	93.4	Very high	94.9	Very high	34 Å²	34	59.5 Å²	59.5	16%	0.159	28%	0.277	C	S	.	.	H	α-helix	trans	-75.3	-40.1	178.9	-68.6	-65.2	-41.5	0	0	112.7	P243 M245 L250 A273 F274	P243-Q277 PolarHBondContact O-NE2 3.17Å; M245-Q277 PolarHBondContact O-NE2 3.03Å; L250-Q277 HydrophobicContact CD1-CG 4.29Å; A273-Q277 WeakPolarHBondContact O-CG 3.47Å; A273-Q277 PolarHBondContact O-N 3.48Å; F274-Q277 PolarHBondContact O-N 2.72Å
278	I	94.4	Very high	94.9	Very high	118 Å²	118	55.3 Å²	55.3	61%	0.605	27%	0.265	S	S	*	.	H	α-helix	trans	-75.8	-24.3	-177.2	-67.7	168.7	0	0	0	112.3	F274 P280	F274-I278 HydrophobicContact CB-CD1 4.4Å; F274-I278 VanDerWaalsContact O-CB 3.32Å; F274-I278 WeakPolarHBondContact O-CB 3.44Å; F274-I278 VanDerWaalsContact O-CG1 3.24Å; F274-I278 WeakPolarHBondContact O-CG1 3.3Å; F274-I278 PolarHBondContact O-N 3.09Å; I278-P280 WeakPolarHBondContact O-CD 3.44Å
279	L	95.1	Very high	94.7	Very high	59 Å²	59	55.9 Å²	55.9	31%	0.309	28%	0.278	S	S	.	.			trans	-114.4	64.1	-174.3	-57.6	169.9	0	0	0	112.5	N275 F281 R282 Q283	N275-L279 VanDerWaalsContact O-CB 3.27Å; N275-L279 WeakPolarHBondContact O-CB 3.49Å; N275-L279 WeakPolarHBondContact O-CG 3.33Å; N275-L279 PolarHBondContact O-N 3.19Å; N275-L279 VanDerWaalsContact O-N 3.11Å; L279-F281 VanDerWaalsContact C-N 3.27Å; L279-F281 PolarHBondContact O-N 3.25Å; L279-F281 VanDerWaalsContact O-N 3.16Å; L279-R282 HydrophobicContact CB-CB 4.06Å; L279-R282 HydrophobicContact CB-CG 4.43Å; L279-R282 PolarHBondContact O-N 2.96Å; L279-Q283 PolarHBondContact O-N 3.49Å
280	P	93.9	Very high	94.7	Very high	34 Å²	34	57.9 Å²	57.9	22%	0.221	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-56.3	-40.1	-173.6	21.2	-32.8	0	0	0	112.9	I278 R282 Q283 R374 L383	I278-P280 WeakPolarHBondContact O-CD 3.44Å; P280-R282 PolarHBondContact O-N 3.42Å; P280-Q283 WeakPolarHBondContact O-CB 3.46Å; P280-Q283 WeakPolarHBondContact O-CG 3.18Å; P280-Q283 PolarHBondContact O-N 3.38Å; P280-Q283 PolarHBondContact O-OE1 3.49Å; P280-R374 PolarHBondContact O-NH1 3.1Å; P280-R374 PolarHBondContact O-NH2 2.8Å; P280-L383 HydrophobicContact CB-CD2 3.89Å; P280-L383 HydrophobicContact CG-CD2 4.44Å
281	F	95.8	Very high	94.6	Very high	62 Å²	62	57.6 Å²	57.6	27%	0.272	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-68.3	-17.8	179	-59.3	-60.9	0	0	0	114	L279 H284 L383 I385 P424 K425 N427	L279-F281 VanDerWaalsContact C-N 3.27Å; L279-F281 PolarHBondContact O-N 3.25Å; L279-F281 VanDerWaalsContact O-N 3.16Å; F281-H284 PolarHBondContact O-CE1 3.34Å; F281-H284 VanDerWaalsContact O-CE1 3.23Å; F281-H284 PolarHBondContact O-ND1 2.87Å; F281-L383 HydrophobicContact CD1-CD2 4.5Å; F281-L383 HydrophobicContact CE1-CD2 3.93Å; F281-L383 HydrophobicContact CZ-CD2 4.27Å; F281-I385 HydrophobicContact CE1-CG2 4.18Å; F281-P424 WeakPolarHBondContact CB-O 3.47Å; F281-P424 CarbonylContact O-C 3.58Å; F281-K425 WeakPolarHBondContact O-CA 3.38Å; F281-N427 HydrophobicContact CD1-CB 3.75Å; F281-N427 HydrophobicContact CE1-CB 3.86Å; F281-N427 HydrophobicContact CG-CB 4.1Å; F281-N427 HydrophobicContact CZ-CB 4.31Å
282	R	94.6	Very high	94.6	Very high	126 Å²	126	55.5 Å²	55.5	48%	0.475	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-100.7	-5.4	178.6	-63.2	-172.3	174.1	-176.9	2	114	L279 P280 H284 K285 M286 K425	L279-R282 HydrophobicContact CB-CB 4.06Å; L279-R282 HydrophobicContact CB-CG 4.43Å; L279-R282 PolarHBondContact O-N 2.96Å; P280-R282 PolarHBondContact O-N 3.42Å; R282-H284 PolarHBondContact O-N 3.01Å; R282-H284 VanDerWaalsContact O-N 3.13Å; R282-K285 PolarHBondContact O-N 2.62Å; R282-M286 HydrophobicContact CB-SD 4.31Å; R282-M286 PolarHBondContact O-N 3.46Å; R282-K425 HydrophobicContact CG-CG 4.38Å
283	Q	95	Very high	94.5	Very high	6 Å²	6	54 Å²	54	3%	0.028	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-52.3	-38.7	-178.3	-72.7	173	-35.7	0	0	112.9	Y276 L279 P280 K285 M286 Q287 F351	Y276-Q283 HydrophobicContact CD1-CG 4.21Å; Y276-Q283 HydrophobicContact CD2-CB 4.37Å; Y276-Q283 HydrophobicContact CD2-CG 3.97Å; Y276-Q283 HydrophobicContact CE1-CG 3.98Å; Y276-Q283 HydrophobicContact CE2-CB 3.73Å; Y276-Q283 HydrophobicContact CE2-CG 3.7Å; Y276-Q283 HydrophobicContact CG-CG 4.21Å; Y276-Q283 WeakPolarHBondContact O-CG 3.45Å; Y276-Q283 PolarHBondContact O-NE2 3.49Å; L279-Q283 PolarHBondContact O-N 3.49Å; P280-Q283 WeakPolarHBondContact O-CB 3.46Å; P280-Q283 WeakPolarHBondContact O-CG 3.18Å; P280-Q283 PolarHBondContact O-N 3.38Å; P280-Q283 PolarHBondContact O-OE1 3.49Å; Q283-K285 PolarHBondContact O-N 3.28Å; Q283-K285 VanDerWaalsContact O-N 3.14Å; Q283-M286 PolarHBondContact O-N 3.4Å; Q283-Q287 PolarHBondContact O-NE2 3.03Å; Q283-F351 HydrophobicContact CB-CE2 3.99Å; Q283-F351 HydrophobicContact CB-CZ 4.09Å; Q283-F351 VanDerWaalsContact OE1-CZ 3.28Å
284	H	90.5	Very high	94.3	Very high	18 Å²	18	54.7 Å²	54.7	8%	0.083	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-59.7	-23.2	175.7	75.6	-76.9	0	0	0	114.5	F281 R282 L348 D349 K425	F281-H284 PolarHBondContact O-CE1 3.34Å; F281-H284 VanDerWaalsContact O-CE1 3.23Å; F281-H284 PolarHBondContact O-ND1 2.87Å; R282-H284 PolarHBondContact O-N 3.01Å; R282-H284 VanDerWaalsContact O-N 3.13Å; H284-L348 HydrophobicContact CB-CD2 4.38Å; H284-D349 WeakPolarHBondContact CA-OD2 3.47Å; H284-D349 WeakPolarHBondContact CB-OD2 3.37Å; H284-K425 PolarHBondContact CE1-N 2.88Å; H284-K425 VanDerWaalsContact CE1-N 3.26Å
285	K	91.9	Very high	94.2	Very high	145 Å²	145	52.8 Å²	52.8	63%	0.63	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-95.9	-4.3	173.7	-65.4	-54.2	-175.7	-175.5	0	113.6	R282 Q283	R282-K285 PolarHBondContact O-N 2.62Å; Q283-K285 PolarHBondContact O-N 3.28Å; Q283-K285 VanDerWaalsContact O-N 3.14Å
286	M	94.2	Very high	93.8	Very high	52 Å²	52	54 Å²	54	26%	0.256	27%	0.269	S	S	.	.	S	Bend	trans	-108.9	19.8	-176.4	-62.9	179.3	62	0	0	111.7	N275 Y276 R282 Q283 S288 T291	N275-M286 HydrophobicContact CB-CE 3.74Å; Y276-M286 HydrophobicContact CD2-CB 3.98Å; Y276-M286 HydrophobicContact CD2-CE 4.47Å; Y276-M286 HydrophobicContact CE2-CB 4.37Å; R282-M286 HydrophobicContact CB-SD 4.31Å; R282-M286 PolarHBondContact O-N 3.46Å; Q283-M286 PolarHBondContact O-N 3.4Å; M286-S288 PolarHBondContact O-N 3.42Å; M286-T291 WeakPolarHBondContact O-CG2 3.3Å
287	Q	92.9	Very high	93.5	Very high	68 Å²	68	56.2 Å²	56.2	32%	0.318	28%	0.284	S	S	.	.			trans	-65.8	129.5	-178	-63.8	-57.2	-47.2	0	0	111.3	Q283 T291 D349	Q283-Q287 PolarHBondContact O-NE2 3.03Å; Q287-T291 WeakPolarHBondContact CA-OG1 3.08Å; Q287-T291 PolarHBondContact OE1-OG1 3.15Å; Q287-D349 HydrophobicContact CG-CB 4.07Å
288	S	94.1	Very high	93.4	Very high	27 Å²	27	57.5 Å²	57.5	19%	0.189	29%	0.294	C	S	.	.			trans	-144.8	167.5	175.3	85.2	0	0	0	0	109.2	E272 M286 R290 T291	E272-S288 PolarHBondContact OE1-OG 2.66Å; E272-S288 VanDerWaalsContact OE1-OG 3.1Å; M286-S288 PolarHBondContact O-N 3.42Å; S288-R290 PolarHBondContact O-N 3.4Å; S288-R290 PolarHBondContact OG-N 2.78Å; S288-T291 PolarHBondContact N-OG1 3.07Å; S288-T291 PolarHBondContact O-N 2.86Å; S288-T291 PolarHBondContact O-OG1 3.43Å
289	P	93.7	Very high	93.3	Very high	116 Å²	116	52 Å²	52	75%	0.753	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-22.2	172.6	-27	36.1	0	0	0	113.9
290	R	95.5	Very high	93.3	Very high	60 Å²	60	49.2 Å²	49.2	23%	0.226	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-4.4	176.7	-68.6	-172.7	-66.6	-85.1	-1.2	114.4	C238 R241 P243 E272 S288	C238-R290 WeakPolarHBondContact O-CD 3.42Å; R241-R290 WeakPolarHBondContact CB-O 3.43Å; P243-R290 HydrophobicContact CG-CB 4.33Å; E272-R290 IonicContact OE1-NE 2.75Å; E272-R290 IonicContact OE1-NH2 2.93Å; E272-R290 IonicContact OE2-CZ 2.78Å; E272-R290 VanDerWaalsContact OE2-CZ 3.26Å; E272-R290 IonicContact OE2-NE 2.63Å; E272-R290 PolarHBondContact OE2-NE 3.25Å; E272-R290 IonicContact OE2-NH2 3.57Å; E272-R290 PolarHBondContact OE2-NH2 3.49Å; S288-R290 PolarHBondContact O-N 3.4Å; S288-R290 PolarHBondContact OG-N 2.78Å
291	T	94.9	Very high	93.4	Very high	7 Å²	7	47.6 Å²	47.6	4%	0.043	24%	0.241	C	C	.	.	S	Bend	trans	-103.8	0.4	174.6	66.1	0	0	0	0	112.9	P243 Y276 M286 Q287 S288	P243-T291 HydrophobicContact CB-CG2 3.9Å; P243-T291 HydrophobicContact CG-CG2 4.13Å; Y276-T291 HydrophobicContact CD2-CG2 3.7Å; Y276-T291 HydrophobicContact CE2-CG2 3.52Å; Y276-T291 HydrophobicContact CG-CG2 4.42Å; M286-T291 WeakPolarHBondContact O-CG2 3.3Å; Q287-T291 WeakPolarHBondContact CA-OG1 3.08Å; Q287-T291 PolarHBondContact OE1-OG1 3.15Å; S288-T291 PolarHBondContact N-OG1 3.07Å; S288-T291 PolarHBondContact O-N 2.86Å; S288-T291 PolarHBondContact O-OG1 3.43Å
292	V	94.4	Very high	93.5	Very high	63 Å²	63	44.7 Å²	44.7	38%	0.382	23%	0.228	S	C	.	.	S	Bend	trans	-92	135.3	178.4	-179.2	0	0	0	0	109.7	R241 L244	R241-V292 VanDerWaalsContact CD-O 3.23Å; R241-V292 WeakPolarHBondContact CD-O 3.23Å; R241-V292 PolarHBondContact NH1-O 3.22Å; L244-V292 VanDerWaalsContact CD1-O 3.3Å; L244-V292 WeakPolarHBondContact CD1-O 3.34Å
293	I	94.5	Very high	93.5	Very high	10 Å²	10	39 Å²	39	5%	0.051	21%	0.207	C	C	.	.			trans	-57.4	139.2	177.5	-63.8	-178.5	0	0	0	110.9	R241 S295 N350 P377 H378 I596 P598	R241-I293 PolarHBondContact NH1-O 2.97Å; R241-I293 VanDerWaalsContact NH1-O 3.09Å; I293-S295 PolarHBondContact O-N 3.26Å; I293-N350 WeakPolarHBondContact CD1-ND2 3.47Å; I293-P377 HydrophobicContact CD1-CB 4.47Å; I293-P377 HydrophobicContact CD1-CG 4.01Å; I293-H378 HydrophobicContact CD1-CB 3.73Å; I293-H378 HydrophobicContact CG1-CB 3.95Å; I293-I596 HydrophobicContact CB-CG2 4.13Å; I293-I596 HydrophobicContact CG2-CG2 4.16Å; I293-P598 HydrophobicContact CG2-CB 4.09Å
294	R	93.9	Very high	93.5	Very high	14 Å²	14	38.8 Å²	38.8	5%	0.053	21%	0.206	C	C	.	.	S	Bend	trans	-75.6	72.9	176.7	-170.2	-179.1	-62.4	-83.1	6.6	111.9	L202 S204 E212 L215 H239 R241	L202-R294 VanDerWaalsContact O-CZ 3.28Å; L202-R294 PolarHBondContact O-NH1 3.09Å; L202-R294 PolarHBondContact O-NH2 3.12Å; S204-R294 WeakPolarHBondContact O-CD 3.45Å; S204-R294 WeakPolarHBondContact O-CG 3.36Å; S204-R294 PolarHBondContact O-NH1 3.36Å; E212-R294 IonicContact OE1-CZ 3.86Å; E212-R294 IonicContact OE1-NE 3.37Å; E212-R294 PolarHBondContact OE1-NE 3.47Å; E212-R294 IonicContact OE1-NH2 3.5Å; E212-R294 PolarHBondContact OE1-NH2 3.16Å; E212-R294 IonicContact OE2-CZ 2.78Å; E212-R294 IonicContact OE2-NE 3.43Å; E212-R294 IonicContact OE2-NH2 3.19Å; E212-R294 PolarHBondContact OE2-NH2 2.86Å; L215-R294 VanDerWaalsContact CD1-NE 3.29Å; H239-R294 PolarHBondContact O-NH2 3.42Å; R241-R294 VanDerWaalsContact NH1-N 3.15Å
295	S	92.5	Very high	93.7	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.014	20%	0.202	C	C	.	.			trans	-162.3	143.9	178.5	-177.6	0	0	0	0	110.2	I293 V297 L597 Q599	I293-S295 PolarHBondContact O-N 3.26Å; S295-V297 PolarHBondContact OG-N 3.34Å; S295-V297 VanDerWaalsContact OG-N 3.08Å; S295-L597 WeakPolarHBondContact CB-O 3.39Å; S295-L597 PolarHBondContact OG-O 3.34Å; S295-Q599 WeakPolarHBondContact OG-CG 3.41Å; S295-Q599 PolarHBondContact OG-NE2 3.32Å
296	N	89.5	Confident	93.6	Very high	105 Å²	105	31.4 Å²	31.4	56%	0.561	18%	0.175	S	C	*	.			trans	-101.5	4.4	167.7	-66.9	-25.3	0	0	0	112.1	N205 V298	N205-N296 WeakPolarHBondContact CB-OD1 3.4Å; N205-N296 PolarHBondContact ND2-OD1 2.94Å; N296-V298 PolarHBondContact O-N 3.33Å
297	V	88.1	Confident	93.3	Very high	54 Å²	54	30.7 Å²	30.7	33%	0.327	17%	0.174	S	C	.	.			trans	-91.7	110	-175.9	176.2	0	0	0	0	108.4	S295 L597	S295-V297 PolarHBondContact OG-N 3.34Å; S295-V297 VanDerWaalsContact OG-N 3.08Å; V297-L597 PolarHBondContact O-N 2.95Å
298	V	91.8	Very high	92.3	Very high	62 Å²	62	32.5 Å²	32.5	38%	0.376	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	121.8	168.8	-173	0	0	0	0	107.8	N296 L546 P594 I595 I596	N296-V298 PolarHBondContact O-N 3.33Å; V298-L546 HydrophobicContact CB-CD1 3.92Å; V298-L546 HydrophobicContact CG1-CD1 3.53Å; V298-P594 HydrophobicContact CG1-CB 3.74Å; V298-I595 CarbonylContact C-O 3.48Å; V298-I595 WeakPolarHBondContact CA-O 3.39Å; V298-I596 HydrophobicContact CG2-CG1 3.98Å
299	S	92.4	Very high	90.8	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	140.7	178.9	-66.4	0	0	0	0	110.3	L322 P594 I595	S299-L322 WeakPolarHBondContact CB-O 3.33Å; S299-L322 PolarHBondContact OG-O 3.26Å; S299-P594 WeakPolarHBondContact O-CA 3.27Å; S299-I595 PolarHBondContact N-O 3.34Å; S299-I595 PolarHBondContact O-N 3.27Å
300	L	95.2	Very high	89.1	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	125.7	167.8	-171.6	158.3	0	0	0	108.3	T302 Y321 L322 F330 C544 L546 Y551 V553 C592	L300-T302 HydrophobicContact CD2-CG2 3.6Å; L300-Y321 CarbonylContact O-C 3.57Å; L300-Y321 WeakPolarHBondContact O-CA 3.26Å; L300-L322 HydrophobicContact CB-CB 4.2Å; L300-L322 PolarHBondContact O-N 2.9Å; L300-F330 HydrophobicContact CD2-CE1 3.69Å; L300-F330 HydrophobicContact CD2-CZ 3.97Å; L300-C544 WeakPolarHBondContact CD1-SG 3.4Å; L300-C544 VanDerWaalsContact CG-SG 3.6Å; L300-L546 HydrophobicContact CB-CD2 4.04Å; L300-Y551 HydrophobicContact CD1-CD1 3.65Å; L300-Y551 HydrophobicContact CD1-CD2 4.25Å; L300-Y551 HydrophobicContact CD1-CE1 4.41Å; L300-Y551 HydrophobicContact CD1-CG 3.57Å; L300-V553 HydrophobicContact CD1-CG2 4.36Å; L300-V553 HydrophobicContact CD2-CG2 4.31Å; L300-C592 HydrophobicContact CD2-CB 4.23Å
301	I	95.9	Very high	87.5	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	142	176	-54.5	-161.7	0	0	0	110.1	F303 V319 F320 L333 C592 T593 I595 L597	I301-F303 HydrophobicContact CB-CE2 3.99Å; I301-F303 HydrophobicContact CB-CZ 4.26Å; I301-F303 HydrophobicContact CG2-CD2 4.22Å; I301-F303 HydrophobicContact CG2-CE1 4.18Å; I301-F303 HydrophobicContact CG2-CE2 3.46Å; I301-F303 VanDerWaalsContact CG2-CE2 3.46Å; I301-F303 HydrophobicContact CG2-CZ 3.43Å; I301-F303 VanDerWaalsContact CG2-CZ 3.43Å; I301-V319 HydrophobicContact CG2-CG1 3.42Å; I301-V319 VanDerWaalsContact CG2-CG1 3.42Å; I301-F320 CarbonylContact C-O 3.56Å; I301-F320 VanDerWaalsContact CA-O 3.28Å; I301-F320 WeakPolarHBondContact CA-O 3.49Å; I301-F320 WeakPolarHBondContact CG2-O 3.25Å; I301-L333 HydrophobicContact CD1-CD2 3.7Å; I301-C592 CarbonylContact O-C 3.55Å; I301-C592 WeakPolarHBondContact O-CA 3.39Å; I301-C592 VanDerWaalsContact O-CB 3.22Å; I301-C592 WeakPolarHBondContact O-CB 3.46Å; I301-T593 PolarHBondContact N-O 2.97Å; I301-T593 PolarHBondContact O-N 2.98Å; I301-I595 HydrophobicContact CD1-CD1 3.21Å; I301-I595 HydrophobicContact CD1-CG1 3.25Å; I301-I595 HydrophobicContact CG1-CD1 4.22Å; I301-I595 HydrophobicContact CG1-CG1 3.82Å; I301-L597 HydrophobicContact CD1-CD1 4.04Å; I301-L597 HydrophobicContact CD1-CD2 3.84Å; I301-L597 HydrophobicContact CD1-CG 4.13Å
302	T	97	Very high	86.2	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	148.5	176	72.4	0	0	0	0	111.2	L300 V319 F320 F330 V553 F583 I590 A591 C592	L300-T302 HydrophobicContact CD2-CG2 3.6Å; T302-V319 VanDerWaalsContact O-CA 3.29Å; T302-V319 WeakPolarHBondContact O-CA 3.36Å; T302-V319 WeakPolarHBondContact O-CG1 3.42Å; T302-F320 PolarHBondContact N-O 2.59Å; T302-F320 PolarHBondContact O-N 3.26Å; T302-F330 HydrophobicContact CG2-CE1 3.97Å; T302-V553 HydrophobicContact CG2-CG1 4.1Å; T302-F583 HydrophobicContact CG2-CE2 3.87Å; T302-F583 HydrophobicContact CG2-CZ 4.41Å; T302-F583 VanDerWaalsContact OG1-CE2 3.3Å; T302-F583 WeakPolarHBondContact OG1-CE2 3.38Å; T302-F583 VanDerWaalsContact OG1-CZ 3.26Å; T302-F583 WeakPolarHBondContact OG1-CZ 3.04Å; T302-I590 HydrophobicContact CG2-CD1 4.07Å; T302-A591 CarbonylContact C-O 3.47Å; T302-A591 VanDerWaalsContact CA-O 3.22Å; T302-A591 WeakPolarHBondContact CA-O 3.45Å; T302-C592 HydrophobicContact CG2-CB 3.9Å
303	F	96.6	Very high	85.5	Confident	5 Å²	5	45.2 Å²	45.2	2%	0.022	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	121.5	-175.3	-61.3	-92.9	0	0	0	109.9	I301 V319 M336 V345 V352 V354 W382 A591 T593	I301-F303 HydrophobicContact CB-CE2 3.99Å; I301-F303 HydrophobicContact CB-CZ 4.26Å; I301-F303 HydrophobicContact CG2-CD2 4.22Å; I301-F303 HydrophobicContact CG2-CE1 4.18Å; I301-F303 HydrophobicContact CG2-CE2 3.46Å; I301-F303 VanDerWaalsContact CG2-CE2 3.46Å; I301-F303 HydrophobicContact CG2-CZ 3.43Å; I301-F303 VanDerWaalsContact CG2-CZ 3.43Å; F303-V319 HydrophobicContact CD1-CG1 4.02Å; F303-V319 HydrophobicContact CD1-CG2 3.73Å; F303-V319 HydrophobicContact CE1-CG1 3.77Å; F303-V319 HydrophobicContact CE1-CG2 4.05Å; F303-V319 HydrophobicContact CZ-CG1 4.24Å; F303-M336 HydrophobicContact CB-SD 4Å; F303-M336 HydrophobicContact CD1-CG 4.39Å; F303-M336 HydrophobicContact CD1-SD 4.13Å; F303-V345 HydrophobicContact CB-CG1 4.34Å; F303-V345 HydrophobicContact CD2-CG1 3.87Å; F303-V345 HydrophobicContact CE2-CG1 4.49Å; F303-V345 HydrophobicContact CG-CG1 4.18Å; F303-V352 HydrophobicContact CE1-CG1 4.41Å; F303-V352 HydrophobicContact CE2-CG1 3.91Å; F303-V352 HydrophobicContact CZ-CB 4.23Å; F303-V352 HydrophobicContact CZ-CG1 3.73Å; F303-V352 HydrophobicContact CZ-CG2 4.15Å; F303-V354 HydrophobicContact CD1-CG2 4.11Å; F303-V354 HydrophobicContact CE1-CG2 4.33Å; F303-W382 HydrophobicContact CD1-CH2 4Å; F303-W382 AromaticContact CE1-CH2 3.84Å; F303-W382 HydrophobicContact CE1-CH2 3.84Å; F303-W382 HydrophobicContact CE1-CZ2 4.41Å; F303-A591 HydrophobicContact CB-CB 4.4Å; F303-A591 PolarHBondContact N-O 3.06Å; F303-A591 PolarHBondContact O-N 2.95Å; F303-T593 HydrophobicContact CE2-CG2 4.05Å
304	G	94.9	Very high	85.1	Confident	2 Å²	2	47.6 Å²	47.6	2%	0.021	25%	0.248	C	C	.	.			trans	59.1	-141	169.5	0	0	0	0	0	114.5	S316 K318 S340 F587	G304-S316 VanDerWaalsContact CA-O 3.24Å; G304-S316 WeakPolarHBondContact CA-O 3.39Å; G304-K318 PolarHBondContact N-O 3.03Å; G304-S340 WeakPolarHBondContact CA-O 3.19Å; G304-F587 WeakPolarHBondContact O-CD2 2.9Å
305	G	93.6	Very high	85	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.255	C	S	.	.			trans	104.4	174.5	-171.6	0	0	0	0	0	112.4	S316 S340 A588	G305-S316 WeakPolarHBondContact O-CB 3.29Å; G305-S316 PolarHBondContact O-N 2.97Å; G305-S340 PolarHBondContact N-O 3.45Å; G305-A588 WeakPolarHBondContact CA-O 3.23Å
306	T	90.9	Very high	85	Confident	9 Å²	9	48.9 Å²	48.9	6%	0.055	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	127.7	-176.2	-70.4	0	0	0	0	111	T314 S341 Q361 F587 A588	T306-T314 VanDerWaalsContact CG2-O 3.3Å; T306-T314 WeakPolarHBondContact CG2-O 3.06Å; T306-T314 PolarHBondContact OG1-O 3.47Å; T306-S341 WeakPolarHBondContact OG1-CB 3.22Å; T306-S341 PolarHBondContact OG1-OG 2.98Å; T306-S341 VanDerWaalsContact OG1-OG 3.13Å; T306-Q361 HydrophobicContact CG2-CB 4.12Å; T306-Q361 HydrophobicContact CG2-CG 3.83Å; T306-Q361 PolarHBondContact OG1-OE1 3.1Å; T306-F587 WeakPolarHBondContact O-CA 3.3Å; T306-A588 PolarHBondContact N-O 3.19Å; T306-A588 PolarHBondContact O-N 2.87Å
307	P	86.3	Confident	85.2	Confident	36 Å²	36	45.5 Å²	45.5	23%	0.234	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	164.5	170	29.1	-33.6	0	0	0	111.3	T309 F587	P307-T309 PolarHBondContact O-N 3.23Å; P307-F587 HydrophobicContact CB-CD1 4.1Å; P307-F587 HydrophobicContact CB-CE1 3.9Å; P307-F587 HydrophobicContact CG-CE1 4.28Å
308	Y	72.4	Confident	85.6	Confident	107 Å²	107	45.9 Å²	45.9	42%	0.42	24%	0.24	S	C	.	.	S	Bend	trans	-75.2	91	170.8	-174	-93.3	0	0	0	110.4	N562 V563	Y308-N562 WeakPolarHBondContact CD2-OD1 3.34Å; Y308-N562 VanDerWaalsContact CG-OD1 3.32Å; Y308-V563 VanDerWaalsContact CB-CG2 3.45Å; Y308-V563 HydrophobicContact CD2-CG1 4.45Å
309	T	62.8	Low	85.7	Confident	55 Å²	55	42.9 Å²	42.9	34%	0.337	22%	0.222	S	C	.	.			trans	-141.5	109	167.4	56.4	0	0	0	0	109.7	P307 N311 T314	P307-T309 PolarHBondContact O-N 3.23Å; T309-N311 PolarHBondContact O-N 3.16Å; T309-T314 PolarHBondContact OG1-OG1 3.21Å
310	D	58.6	Low	85.9	Confident	101 Å²	101	43.3 Å²	43.3	54%	0.54	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-17.1	177.6	-91.8	-34.6	0	0	0	112.8	R363	D310-R363 IonicContact OD1-CZ 3.08Å; D310-R363 IonicContact OD1-NH2 3.29Å; D310-R363 PolarHBondContact OD1-NH2 2.88Å; D310-R363 IonicContact OD2-NH2 3.42Å
311	N	61.8	Low	85.9	Confident	147 Å²	147	45.8 Å²	45.8	79%	0.786	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-38.3	-169.9	-74.6	-3.8	0	0	0	115.1	T309	T309-N311 PolarHBondContact O-N 3.16Å
312	D	67.4	Low	85.7	Confident	119 Å²	119	46 Å²	46	64%	0.636	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-5.3	-168.2	-66.1	-22.8	0	0	0	114	T314	D312-T314 HydrophobicContact CB-CG2 3.72Å; D312-T314 PolarHBondContact O-N 2.75Å
313	R	80.5	Confident	85	Confident	118 Å²	118	47.5 Å²	47.5	45%	0.445	24%	0.244	S	C	.	.			trans	47.9	29.7	-179.6	-59.5	-175.7	-179.6	172.9	-0.3	113.7	Q361 Y362	R313-Q361 HydrophobicContact CB-CB 4.17Å; R313-Q361 WeakPolarHBondContact CD-O 3.42Å; R313-Q361 WeakPolarHBondContact CG-O 3.43Å; R313-Q361 PolarHBondContact O-N 2.89Å; R313-Y362 PolarHBondContact NH1-OH 3.07Å
314	T	85.8	Confident	84.1	Confident	59 Å²	59	51.3 Å²	51.3	36%	0.362	27%	0.265	S	S	.	.			trans	-73.3	146.1	-171.7	47.7	0	0	0	0	111.4	T306 T309 D312	T306-T314 VanDerWaalsContact CG2-O 3.3Å; T306-T314 WeakPolarHBondContact CG2-O 3.06Å; T306-T314 PolarHBondContact OG1-O 3.47Å; T309-T314 PolarHBondContact OG1-OG1 3.21Å; D312-T314 HydrophobicContact CB-CG2 3.72Å; D312-T314 PolarHBondContact O-N 2.75Å
315	V	90.9	Very high	83.2	Confident	30 Å²	30	54 Å²	54	18%	0.182	28%	0.278	C	S	.	.			trans	-127.1	144.9	172.9	-62.3	0	0	0	0	107.8	G339 H359	V315-G339 WeakPolarHBondContact CG2-O 3.45Å; V315-H359 WeakPolarHBondContact CG2-O 3.46Å
316	S	93.1	Very high	82.6	Confident	13 Å²	13	58 Å²	58	9%	0.091	31%	0.311	C	S	.	.			trans	-84.4	138.6	-179.4	-173.2	0	0	0	0	110.9	G304 G305 K318 M336 G339 S340	G304-S316 VanDerWaalsContact CA-O 3.24Å; G304-S316 WeakPolarHBondContact CA-O 3.39Å; G305-S316 WeakPolarHBondContact O-CB 3.29Å; G305-S316 PolarHBondContact O-N 2.97Å; S316-K318 WeakPolarHBondContact OG-CB 3.49Å; S316-K318 PolarHBondContact OG-N 3.36Å; S316-K318 VanDerWaalsContact OG-N 3.11Å; S316-M336 WeakPolarHBondContact O-CE 3.38Å; S316-G339 VanDerWaalsContact O-CA 3.28Å; S316-G339 WeakPolarHBondContact O-CA 3.44Å; S316-S340 PolarHBondContact O-N 3.48Å; S316-S340 VanDerWaalsContact O-N 3.11Å
317	S	94.3	Very high	81.9	Confident	34 Å²	34	60.4 Å²	60.4	24%	0.238	33%	0.332	C	S	.	.			trans	-93.1	-7.3	164.6	53.6	0	0	0	0	112.5	E335 M336	S317-E335 CarbonylContact O-C 3.57Å; S317-E335 WeakPolarHBondContact O-CA 3.43Å; S317-M336 PolarHBondContact O-N 2.94Å
318	K	94.8	Very high	81.8	Confident	62 Å²	62	63.6 Å²	63.6	27%	0.27	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	140.3	-172.3	-61.4	-174.7	-178.1	179.4	0	111.7	G304 S316 F320 E585	G304-K318 PolarHBondContact N-O 3.03Å; S316-K318 WeakPolarHBondContact OG-CB 3.49Å; S316-K318 PolarHBondContact OG-N 3.36Å; S316-K318 VanDerWaalsContact OG-N 3.11Å; K318-F320 HydrophobicContact CB-CD2 4.11Å; K318-F320 HydrophobicContact CB-CE2 3.5Å; K318-F320 HydrophobicContact CB-CZ 4.1Å; K318-F320 HydrophobicContact CD-CE2 3.87Å; K318-F320 HydrophobicContact CD-CZ 3.68Å; K318-F320 HydrophobicContact CG-CE2 4.37Å; K318-E585 IonicContact NZ-OE1 3.86Å; K318-E585 PolarHBondContact NZ-OE1 2.87Å
319	V	95.8	Very high	82.6	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	119.8	171.4	-178.7	0	0	0	0	107.7	I301 T302 F303 L333 T334 M336 W382	I301-V319 HydrophobicContact CG2-CG1 3.42Å; I301-V319 VanDerWaalsContact CG2-CG1 3.42Å; T302-V319 VanDerWaalsContact O-CA 3.29Å; T302-V319 WeakPolarHBondContact O-CA 3.36Å; T302-V319 WeakPolarHBondContact O-CG1 3.42Å; F303-V319 HydrophobicContact CD1-CG1 4.02Å; F303-V319 HydrophobicContact CD1-CG2 3.73Å; F303-V319 HydrophobicContact CE1-CG1 3.77Å; F303-V319 HydrophobicContact CE1-CG2 4.05Å; F303-V319 HydrophobicContact CZ-CG1 4.24Å; V319-L333 HydrophobicContact CG1-CB 4.35Å; V319-L333 HydrophobicContact CG1-CD2 4.37Å; V319-L333 PolarHBondContact O-N 3.23Å; V319-T334 HydrophobicContact CB-CG2 3.84Å; V319-T334 WeakPolarHBondContact CB-O 3.43Å; V319-T334 HydrophobicContact CG1-CG2 4.19Å; V319-T334 HydrophobicContact CG2-CG2 4.01Å; V319-T334 PolarHBondContact N-O 3.49Å; V319-T334 PolarHBondContact O-N 2.58Å; V319-M336 HydrophobicContact CG2-CG 3.62Å; V319-W382 HydrophobicContact CG2-CZ2 4.19Å
320	F	95.5	Very high	84.1	Confident	11 Å²	11	62.3 Å²	62.3	5%	0.048	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	154	176.5	-63.7	-97.2	0	0	0	110.3	I301 T302 K318 F330 K331 E332 F583 P584 E585	I301-F320 CarbonylContact C-O 3.56Å; I301-F320 VanDerWaalsContact CA-O 3.28Å; I301-F320 WeakPolarHBondContact CA-O 3.49Å; I301-F320 WeakPolarHBondContact CG2-O 3.25Å; T302-F320 PolarHBondContact N-O 2.59Å; T302-F320 PolarHBondContact O-N 3.26Å; K318-F320 HydrophobicContact CB-CD2 4.11Å; K318-F320 HydrophobicContact CB-CE2 3.5Å; K318-F320 HydrophobicContact CB-CZ 4.1Å; K318-F320 HydrophobicContact CD-CE2 3.87Å; K318-F320 HydrophobicContact CD-CZ 3.68Å; K318-F320 HydrophobicContact CG-CE2 4.37Å; F320-F330 HydrophobicContact CB-CD1 4.16Å; F320-K331 CarbonylContact C-O 3.55Å; F320-K331 VanDerWaalsContact CA-O 3.22Å; F320-K331 WeakPolarHBondContact CA-O 3.33Å; F320-E332 HydrophobicContact CD1-CB 4.28Å; F320-E332 HydrophobicContact CE1-CB 4.23Å; F320-F583 HydrophobicContact CB-CE2 3.78Å; F320-F583 HydrophobicContact CB-CZ 3.98Å; F320-F583 HydrophobicContact CD2-CE1 4.29Å; F320-F583 HydrophobicContact CD2-CE2 4.08Å; F320-F583 AromaticContact CD2-CZ 3.4Å; F320-F583 HydrophobicContact CD2-CZ 3.4Å; F320-F583 HydrophobicContact CE2-CE1 4.42Å; F320-F583 AromaticContact CE2-CZ 3.93Å; F320-F583 HydrophobicContact CE2-CZ 3.93Å; F320-F583 AromaticContact CG-CE2 3.97Å; F320-F583 HydrophobicContact CG-CE2 3.97Å; F320-F583 AromaticContact CG-CZ 3.77Å; F320-F583 HydrophobicContact CG-CZ 3.77Å; F320-P584 HydrophobicContact CD1-CG 4.09Å; F320-P584 HydrophobicContact CE1-CB 4.24Å; F320-P584 HydrophobicContact CE1-CG 4.05Å; F320-E585 HydrophobicContact CZ-CG 4.46Å
321	Y	94.5	Very high	85.7	Confident	53 Å²	53	62.7 Å²	62.7	21%	0.208	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	153.6	171.4	78	-64	0	0	0	111.2	L300 P323 F330 K331 L333 L597	L300-Y321 CarbonylContact O-C 3.57Å; L300-Y321 WeakPolarHBondContact O-CA 3.26Å; Y321-P323 HydrophobicContact CD2-CB 4.16Å; Y321-P323 HydrophobicContact CD2-CG 4.03Å; Y321-P323 HydrophobicContact CE1-CG 4.32Å; Y321-P323 HydrophobicContact CE2-CB 3.54Å; Y321-P323 HydrophobicContact CE2-CG 3.54Å; Y321-P323 WeakPolarHBondContact O-CD 3.4Å; Y321-F330 CarbonylContact O-C 3.55Å; Y321-F330 WeakPolarHBondContact O-CA 3.43Å; Y321-K331 HydrophobicContact CD1-CB 4.13Å; Y321-K331 VanDerWaalsContact CD1-O 3.29Å; Y321-K331 WeakPolarHBondContact CD1-O 3.33Å; Y321-K331 HydrophobicContact CE1-CB 3.65Å; Y321-K331 PolarHBondContact N-O 2.89Å; Y321-K331 PolarHBondContact O-N 3.48Å; Y321-L333 HydrophobicContact CD1-CB 3.64Å; Y321-L333 HydrophobicContact CD1-CD1 3.97Å; Y321-L333 HydrophobicContact CD1-CG 4.31Å; Y321-L333 HydrophobicContact CE1-CB 4.25Å; Y321-L333 HydrophobicContact CE1-CD1 4.04Å; Y321-L333 HydrophobicContact CG-CB 4.3Å; Y321-L333 HydrophobicContact CG-CD1 4.36Å; Y321-L597 HydrophobicContact CD2-CD1 3.4Å; Y321-L597 VanDerWaalsContact CD2-CD1 3.4Å; Y321-L597 HydrophobicContact CE2-CD1 3.97Å; Y321-L597 HydrophobicContact CG-CD1 3.96Å
322	L	92.1	Very high	87.3	Confident	3 Å²	3	60.3 Å²	60.3	2%	0.016	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	102.3	169.1	-176.1	59.8	0	0	0	108.1	S299 L300 D324 Q329 F330 L581	S299-L322 WeakPolarHBondContact CB-O 3.33Å; S299-L322 PolarHBondContact OG-O 3.26Å; L300-L322 HydrophobicContact CB-CB 4.2Å; L300-L322 PolarHBondContact O-N 2.9Å; L322-D324 VanDerWaalsContact C-N 3.33Å; L322-D324 PolarHBondContact O-N 2.89Å; L322-Q329 WeakPolarHBondContact CD1-O 3.04Å; L322-F330 HydrophobicContact CB-CD1 4.31Å; L322-F330 HydrophobicContact CB-CE1 4.11Å; L322-F330 HydrophobicContact CB-CZ 4.39Å; L322-L581 HydrophobicContact CD2-CD2 4.24Å
323	P	81.9	Confident	88.5	Confident	34 Å²	34	57 Å²	57	22%	0.221	30%	0.296	C	S	.	.	S	Bend	trans	-66.6	-37.5	-173	-14.9	27	0	0	0	112.5	Y321 Q329 K331	Y321-P323 HydrophobicContact CD2-CB 4.16Å; Y321-P323 HydrophobicContact CD2-CG 4.03Å; Y321-P323 HydrophobicContact CE1-CG 4.32Å; Y321-P323 HydrophobicContact CE2-CB 3.54Å; Y321-P323 HydrophobicContact CE2-CG 3.54Å; Y321-P323 WeakPolarHBondContact O-CD 3.4Å; P323-Q329 WeakPolarHBondContact CD-O 3.35Å; P323-K331 HydrophobicContact CG-CB 4.25Å; P323-K331 HydrophobicContact CG-CD 3.76Å; P323-K331 HydrophobicContact CG-CG 3.92Å
324	D	77.8	Confident	89.1	Confident	84 Å²	84	52.9 Å²	52.9	45%	0.449	28%	0.284	S	S	.	.			trans	-142.4	128.2	179.2	178.1	8.3	0	0	0	108.5	L322 A326 A327 R328	L322-D324 VanDerWaalsContact C-N 3.33Å; L322-D324 PolarHBondContact O-N 2.89Å; D324-A326 PolarHBondContact O-N 3.09Å; D324-A326 WeakPolarHBondContact OD1-CB 3.44Å; D324-A326 PolarHBondContact OD1-N 3.13Å; D324-A327 HydrophobicContact CB-CB 3.85Å; D324-A327 PolarHBondContact O-N 3.01Å; D324-R328 PolarHBondContact O-N 3.29Å
325	I	77.1	Confident	89.5	Confident	60 Å²	60	55 Å²	55	31%	0.308	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-35.7	176.5	-59.2	172.2	0	0	0	109.9	R328 L546	I325-R328 WeakPolarHBondContact O-CG 3.47Å; I325-R328 PolarHBondContact O-N 3Å; I325-L546 HydrophobicContact CD1-CD2 3.84Å; I325-L546 HydrophobicContact CD1-CG 4.13Å; I325-L546 HydrophobicContact CG1-CD2 4.17Å
326	A	79.8	Confident	89.6	Confident	83 Å²	83	54.2 Å²	54.2	69%	0.686	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-33.7	178.9	0	0	0	0	0	112.7	D324 R328	D324-A326 PolarHBondContact O-N 3.09Å; D324-A326 WeakPolarHBondContact OD1-CB 3.44Å; D324-A326 PolarHBondContact OD1-N 3.13Å; A326-R328 PolarHBondContact O-N 3.4Å
327	A	77.3	Confident	89.4	Confident	60 Å²	60	59 Å²	59	50%	0.496	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-22.9	176.7	0	0	0	0	0	113	D324 Q329	D324-A327 HydrophobicContact CB-CB 3.85Å; D324-A327 PolarHBondContact O-N 3.01Å; A327-Q329 PolarHBondContact O-N 2.83Å
328	R	83.8	Confident	89.1	Confident	103 Å²	103	60.1 Å²	60.1	39%	0.389	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	34.1	174.9	-62.1	-169.7	76.1	-172.5	4.1	113.5	D324 I325 A326 R579 D580 L581	D324-R328 PolarHBondContact O-N 3.29Å; I325-R328 WeakPolarHBondContact O-CG 3.47Å; I325-R328 PolarHBondContact O-N 3Å; A326-R328 PolarHBondContact O-N 3.4Å; R328-R579 PolarHBondContact NH2-O 2.91Å; R328-D580 PolarHBondContact NH2-O 2.92Å; R328-L581 HydrophobicContact CB-CD1 3.74Å; R328-L581 WeakPolarHBondContact O-CD1 3.38Å
329	Q	90.3	Very high	89	Confident	124 Å²	124	57.8 Å²	57.8	58%	0.579	30%	0.304	S	S	*	.			trans	-137	122.9	-178.2	-170.2	-179.6	17	0	0	110.9	L322 P323 A327	L322-Q329 WeakPolarHBondContact CD1-O 3.04Å; P323-Q329 WeakPolarHBondContact CD-O 3.35Å; A327-Q329 PolarHBondContact O-N 2.83Å
330	F	93.3	Very high	88.9	Confident	10 Å²	10	58.1 Å²	58.1	4%	0.044	31%	0.307	C	S	.	.			trans	-74.3	145.1	172.9	-76.2	-92.9	0	0	0	111.4	L300 T302 F320 Y321 L322 V567 L581 F583 P584	L300-F330 HydrophobicContact CD2-CE1 3.69Å; L300-F330 HydrophobicContact CD2-CZ 3.97Å; T302-F330 HydrophobicContact CG2-CE1 3.97Å; F320-F330 HydrophobicContact CB-CD1 4.16Å; Y321-F330 CarbonylContact O-C 3.55Å; Y321-F330 WeakPolarHBondContact O-CA 3.43Å; L322-F330 HydrophobicContact CB-CD1 4.31Å; L322-F330 HydrophobicContact CB-CE1 4.11Å; L322-F330 HydrophobicContact CB-CZ 4.39Å; F330-V567 HydrophobicContact CE2-CG2 4.13Å; F330-L581 HydrophobicContact CE2-CD2 3.91Å; F330-L581 HydrophobicContact CE2-CG 4.26Å; F330-F583 HydrophobicContact CB-CD2 4.43Å; F330-F583 AromaticContact CD1-CD2 3.79Å; F330-F583 HydrophobicContact CD1-CD2 3.79Å; F330-F583 AromaticContact CD1-CE2 3.71Å; F330-F583 HydrophobicContact CD1-CE2 3.71Å; F330-F583 AromaticContact CD2-CD2 3.85Å; F330-F583 HydrophobicContact CD2-CD2 3.85Å; F330-F583 AromaticContact CE1-CD2 3.9Å; F330-F583 HydrophobicContact CE1-CD2 3.9Å; F330-F583 AromaticContact CE1-CE2 3.98Å; F330-F583 HydrophobicContact CE1-CE2 3.98Å; F330-F583 AromaticContact CE2-CD2 3.97Å; F330-F583 HydrophobicContact CE2-CD2 3.97Å; F330-F583 AromaticContact CG-CD2 3.76Å; F330-F583 HydrophobicContact CG-CD2 3.76Å; F330-F583 HydrophobicContact CG-CE2 4.02Å; F330-F583 AromaticContact CZ-CD2 3.99Å; F330-F583 HydrophobicContact CZ-CD2 3.99Å; F330-P584 HydrophobicContact CB-CG 3.56Å
331	K	93.3	Very high	88.8	Confident	109 Å²	109	57.7 Å²	57.7	47%	0.474	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	151.1	172.5	-64.3	-172.2	-176.6	-179.9	0	109.6	F320 Y321 P323	F320-K331 CarbonylContact C-O 3.55Å; F320-K331 VanDerWaalsContact CA-O 3.22Å; F320-K331 WeakPolarHBondContact CA-O 3.33Å; Y321-K331 HydrophobicContact CD1-CB 4.13Å; Y321-K331 VanDerWaalsContact CD1-O 3.29Å; Y321-K331 WeakPolarHBondContact CD1-O 3.33Å; Y321-K331 HydrophobicContact CE1-CB 3.65Å; Y321-K331 PolarHBondContact N-O 2.89Å; Y321-K331 PolarHBondContact O-N 3.48Å; P323-K331 HydrophobicContact CG-CB 4.25Å; P323-K331 HydrophobicContact CG-CD 3.76Å; P323-K331 HydrophobicContact CG-CG 3.92Å
332	E	93.9	Very high	88.8	Confident	97 Å²	97	56 Å²	56	45%	0.453	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	131.5	171.7	-163.1	174.7	126.3	0	0	109.2	F320	F320-E332 HydrophobicContact CD1-CB 4.28Å; F320-E332 HydrophobicContact CE1-CB 4.23Å
333	L	92.1	Very high	89	Confident	51 Å²	51	56.4 Å²	56.4	27%	0.267	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-50.7	179.9	-178.1	63.2	0	0	0	111.3	I301 V319 Y321 L597	I301-L333 HydrophobicContact CD1-CD2 3.7Å; V319-L333 HydrophobicContact CG1-CB 4.35Å; V319-L333 HydrophobicContact CG1-CD2 4.37Å; V319-L333 PolarHBondContact O-N 3.23Å; Y321-L333 HydrophobicContact CD1-CB 3.64Å; Y321-L333 HydrophobicContact CD1-CD1 3.97Å; Y321-L333 HydrophobicContact CD1-CG 4.31Å; Y321-L333 HydrophobicContact CE1-CB 4.25Å; Y321-L333 HydrophobicContact CE1-CD1 4.04Å; Y321-L333 HydrophobicContact CG-CB 4.3Å; Y321-L333 HydrophobicContact CG-CD1 4.36Å; L333-L597 HydrophobicContact CD1-CD1 4.35Å; L333-L597 HydrophobicContact CD2-CD1 4.28Å; L333-L597 HydrophobicContact CD2-CD2 4.08Å
334	T	93.4	Very high	89.7	Confident	30 Å²	30	55.6 Å²	55.6	18%	0.184	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	-174.4	-174.8	-165.8	0	0	0	0	109.7	V319 Y375	V319-T334 HydrophobicContact CB-CG2 3.84Å; V319-T334 WeakPolarHBondContact CB-O 3.43Å; V319-T334 HydrophobicContact CG1-CG2 4.19Å; V319-T334 HydrophobicContact CG2-CG2 4.01Å; V319-T334 PolarHBondContact N-O 3.49Å; V319-T334 PolarHBondContact O-N 2.58Å; T334-Y375 HydrophobicContact CG2-CE2 4.21Å
335	E	94.5	Very high	90.6	Very high	104 Å²	104	52.6 Å²	52.6	49%	0.486	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	145.1	171.8	-63	-174	164	0	0	110.3	S317 W382	S317-E335 CarbonylContact O-C 3.57Å; S317-E335 WeakPolarHBondContact O-CA 3.43Å; E335-W382 PolarHBondContact O-NE1 2.85Å
336	M	93.8	Very high	91.6	Very high	14 Å²	14	50.4 Å²	50.4	7%	0.069	27%	0.272	C	S	.	.			trans	-70.2	149.5	168.3	-58.5	-170.7	-65.8	0	0	109.7	F303 S316 S317 V319 T338 V354 W382	F303-M336 HydrophobicContact CB-SD 4Å; F303-M336 HydrophobicContact CD1-CG 4.39Å; F303-M336 HydrophobicContact CD1-SD 4.13Å; S316-M336 WeakPolarHBondContact O-CE 3.38Å; S317-M336 PolarHBondContact O-N 2.94Å; V319-M336 HydrophobicContact CG2-CG 3.62Å; M336-T338 WeakPolarHBondContact CB-O 3.37Å; M336-T338 PolarHBondContact O-N 2.92Å; M336-T338 VanDerWaalsContact O-N 3.11Å; M336-V354 HydrophobicContact SD-CG1 4.34Å; M336-W382 HydrophobicContact CB-CH2 4.35Å; M336-W382 HydrophobicContact CB-CZ2 4.18Å; M336-W382 HydrophobicContact CG-CH2 3.73Å; M336-W382 HydrophobicContact CG-CZ2 3.76Å; M336-W382 HydrophobicContact SD-CH2 4.45Å
337	E	88.3	Confident	92.4	Very high	114 Å²	114	48.3 Å²	48.3	53%	0.533	25%	0.251	S	S	.	.	S	Bend	trans	-56.8	-28.8	174.9	-69.9	-170	-171.8	0	0	112.9	F373 W382	E337-F373 HydrophobicContact CB-CE1 4.32Å; E337-F373 HydrophobicContact CB-CZ 4.27Å; E337-F373 HydrophobicContact CG-CE1 4.47Å; E337-F373 WeakPolarHBondContact OE2-CE1 3.38Å; E337-W382 HydrophobicContact CG-CB 4Å; E337-W382 HydrophobicContact CG-CG 4.19Å; E337-W382 WeakPolarHBondContact OE1-CB 3.24Å
338	T	89.1	Confident	93.3	Very high	57 Å²	57	46.4 Å²	46.4	35%	0.35	23%	0.232	S	C	.	.	S	Bend	trans	-143	135.8	174.8	-52.8	0	0	0	0	109.5	M336 H359	M336-T338 WeakPolarHBondContact CB-O 3.37Å; M336-T338 PolarHBondContact O-N 2.92Å; M336-T338 VanDerWaalsContact O-N 3.11Å; T338-H359 HydrophobicContact CG2-CB 4.41Å; T338-H359 VanDerWaalsContact CG2-CE1 3.49Å; T338-H359 WeakPolarHBondContact CG2-CE1 3.37Å; T338-H359 WeakPolarHBondContact CG2-ND1 3.4Å
339	G	91	Very high	93.8	Very high	13 Å²	13	44.5 Å²	44.5	13%	0.134	23%	0.23	C	C	.	.			trans	-61.9	142.4	174.3	0	0	0	0	0	111.6	V315 S316 H359	V315-G339 WeakPolarHBondContact CG2-O 3.45Å; S316-G339 VanDerWaalsContact O-CA 3.28Å; S316-G339 WeakPolarHBondContact O-CA 3.44Å; G339-H359 PolarHBondContact O-CD2 3.05Å; G339-H359 VanDerWaalsContact O-CD2 3.32Å
340	S	93.6	Very high	94	Very high	7 Å²	7	40.4 Å²	40.4	5%	0.049	21%	0.212	C	C	.	.			trans	-150.7	145.9	-177.5	-170.1	0	0	0	0	111.8	G304 G305 S316 Q358	G304-S340 WeakPolarHBondContact CA-O 3.19Å; G305-S340 PolarHBondContact N-O 3.45Å; S316-S340 PolarHBondContact O-N 3.48Å; S316-S340 VanDerWaalsContact O-N 3.11Å; S340-Q358 WeakPolarHBondContact CA-O 3.48Å
341	S	93.6	Very high	94.2	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.007	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-123.4	152.3	166.2	69.4	0	0	0	0	110.8	T306 A343 G357 Q358 Q361	T306-S341 WeakPolarHBondContact OG1-CB 3.22Å; T306-S341 PolarHBondContact OG1-OG 2.98Å; T306-S341 VanDerWaalsContact OG1-OG 3.13Å; S341-A343 PolarHBondContact O-N 3.11Å; S341-G357 CarbonylContact O-C 3.59Å; S341-G357 VanDerWaalsContact O-CA 3.27Å; S341-G357 WeakPolarHBondContact O-CA 3.39Å; S341-Q358 PolarHBondContact N-O 3.4Å; S341-Q358 PolarHBondContact O-N 2.9Å; S341-Q358 VanDerWaalsContact OG-CG 3.27Å; S341-Q358 WeakPolarHBondContact OG-CG 3.1Å; S341-Q358 PolarHBondContact OG-NE2 3.4Å; S341-Q361 PolarHBondContact OG-OE1 2.62Å
342	H	94.9	Very high	94.4	Very high	18 Å²	18	35 Å²	35	8%	0.083	19%	0.188	C	C	.	.	S	Bend	trans	55.2	20.8	-175.1	-49.8	-81	0	0	0	114.3	G357 E540 G589	H342-G357 WeakPolarHBondContact O-CA 3.48Å; H342-E540 IonicContact CE1-OE2 2.71Å; H342-E540 PolarHBondContact CE1-OE2 3.21Å; H342-E540 IonicContact ND1-OE2 3.26Å; H342-E540 IonicContact NE2-OE2 2.91Å; H342-G589 WeakPolarHBondContact CE1-CA 3.23Å; H342-G589 PolarHBondContact N-O 2.8Å; H342-G589 WeakPolarHBondContact ND1-CA 3.45Å
343	A	96.1	Very high	94.6	Very high	11 Å²	11	30.4 Å²	30.4	9%	0.091	17%	0.167	C	C	.	.			trans	-64.5	146.9	163.5	0	0	0	0	0	108.8	S341 V354 A591	S341-A343 PolarHBondContact O-N 3.11Å; A343-V354 HydrophobicContact CB-CG1 3.91Å; A343-A591 WeakPolarHBondContact O-CB 3.47Å
344	C	97.1	Very high	94.8	Very high	17 Å²	17	28.4 Å²	28.4	12%	0.115	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	142.7	172.3	-64.5	0	0	0	0	109.8	V355 F395 L397	C344-V355 PolarHBondContact N-O 2.55Å; C344-V355 PolarHBondContact O-N 3.37Å; C344-F395 HydrophobicContact CB-CE1 4.34Å; C344-F395 HydrophobicContact CB-CE2 4.03Å; C344-F395 HydrophobicContact CB-CZ 3.83Å; C344-F395 PolarHBondContact SG-O 3.07Å; C344-L397 HydrophobicContact CB-CB 3.41Å; C344-L397 VanDerWaalsContact CB-CB 3.41Å
345	V	97.4	Very high	95	Very high	22 Å²	22	27 Å²	27	13%	0.133	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	140	176.2	-61	0	0	0	0	110.9	F303 V352 Y353 V354 A591 C592 T593	F303-V345 HydrophobicContact CB-CG1 4.34Å; F303-V345 HydrophobicContact CD2-CG1 3.87Å; F303-V345 HydrophobicContact CE2-CG1 4.49Å; F303-V345 HydrophobicContact CG-CG1 4.18Å; V345-V352 HydrophobicContact CB-CG1 4.24Å; V345-V352 HydrophobicContact CG1-CG1 4.44Å; V345-Y353 VanDerWaalsContact CA-O 3.23Å; V345-Y353 WeakPolarHBondContact CA-O 3.21Å; V345-V354 HydrophobicContact CG1-CB 4.46Å; V345-V354 HydrophobicContact CG1-CG1 4.29Å; V345-V354 HydrophobicContact CG1-CG2 4.03Å; V345-A591 HydrophobicContact CB-CB 4.27Å; V345-A591 HydrophobicContact CG1-CB 3.57Å; V345-A591 HydrophobicContact CG2-CB 3.82Å; V345-C592 WeakPolarHBondContact CG2-O 3.33Å; V345-T593 HydrophobicContact CG2-CG2 4.37Å
346	S	97.4	Very high	95.2	Very high	13 Å²	13	22.2 Å²	22.2	9%	0.091	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	148.8	171.3	-155.3	0	0	0	0	110.2	Y353 A399	S346-Y353 PolarHBondContact N-O 3.46Å; S346-Y353 PolarHBondContact O-N 2.59Å; S346-A399 WeakPolarHBondContact OG-CB 3.22Å; S346-A399 PolarHBondContact OG-N 2.98Å
347	V	97.1	Very high	95.2	Very high	40 Å²	40	21.6 Å²	21.6	24%	0.242	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.2	-176.7	175.6	0	0	0	0	109.4	F351 V352 T593 I595	V347-F351 WeakPolarHBondContact CA-O 3.48Å; V347-V352 HydrophobicContact CG2-CG2 4.19Å; V347-T593 HydrophobicContact CG2-CG2 3.55Å; V347-T593 WeakPolarHBondContact CG2-OG1 3.4Å; V347-I595 HydrophobicContact CG1-CG2 4.19Å; V347-I595 HydrophobicContact CG2-CG2 3.69Å
348	L	95.8	Very high	95.4	Very high	19 Å²	19	16.2 Å²	16.2	10%	0.099	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	121	171.3	177.1	67.7	0	0	0	108.3	H284 N350 F351 Y353 P424	H284-L348 HydrophobicContact CB-CD2 4.38Å; L348-N350 VanDerWaalsContact C-N 3.26Å; L348-N350 PolarHBondContact O-N 3.04Å; L348-F351 PolarHBondContact N-O 3.07Å; L348-F351 WeakPolarHBondContact O-CB 3.15Å; L348-F351 PolarHBondContact O-N 3.32Å; L348-Y353 HydrophobicContact CB-CD2 4.39Å; L348-Y353 HydrophobicContact CB-CE2 3.86Å; L348-P424 HydrophobicContact CD2-CG 3.86Å
349	D	93.6	Very high	95.5	Very high	64 Å²	64	16 Å²	16	34%	0.342	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	42.7	-178	-51.1	-47.8	0	0	0	113.3	H284 Q287 F351	H284-D349 WeakPolarHBondContact CA-OD2 3.47Å; H284-D349 WeakPolarHBondContact CB-OD2 3.37Å; Q287-D349 HydrophobicContact CG-CB 4.07Å; D349-F351 HydrophobicContact CB-CD2 4.29Å; D349-F351 WeakPolarHBondContact O-CD2 3.5Å; D349-F351 PolarHBondContact O-N 3.08Å; D349-F351 VanDerWaalsContact O-N 3.09Å
350	N	95.5	Very high	95.2	Very high	37 Å²	37	19.8 Å²	19.8	20%	0.198	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	0.9	-176.1	-155.4	59.6	0	0	0	115.7	I293 L348 P377 I595 I596	I293-N350 WeakPolarHBondContact CD1-ND2 3.47Å; L348-N350 VanDerWaalsContact C-N 3.26Å; L348-N350 PolarHBondContact O-N 3.04Å; N350-P377 WeakPolarHBondContact ND2-CG 3.13Å; N350-P377 WeakPolarHBondContact O-CD 3.39Å; N350-P377 VanDerWaalsContact O-CG 3.27Å; N350-P377 WeakPolarHBondContact O-CG 3.49Å; N350-I595 WeakPolarHBondContact OD1-CB 3.41Å; N350-I596 PolarHBondContact ND2-O 2.98Å; N350-I596 PolarHBondContact OD1-N 2.93Å
351	F	96.3	Very high	94.6	Very high	6 Å²	6	21.7 Å²	21.7	3%	0.026	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	137	166.1	-61.6	-74.3	0	0	0	110.2	Q283 V347 L348 D349 Y353 R374 D376	Q283-F351 HydrophobicContact CB-CE2 3.99Å; Q283-F351 HydrophobicContact CB-CZ 4.09Å; Q283-F351 VanDerWaalsContact OE1-CZ 3.28Å; V347-F351 WeakPolarHBondContact CA-O 3.48Å; L348-F351 PolarHBondContact N-O 3.07Å; L348-F351 WeakPolarHBondContact O-CB 3.15Å; L348-F351 PolarHBondContact O-N 3.32Å; D349-F351 HydrophobicContact CB-CD2 4.29Å; D349-F351 WeakPolarHBondContact O-CD2 3.5Å; D349-F351 PolarHBondContact O-N 3.08Å; D349-F351 VanDerWaalsContact O-N 3.09Å; F351-Y353 HydrophobicContact CB-CE2 3.92Å; F351-R374 HydrophobicContact CB-CG 3.89Å; F351-R374 HydrophobicContact CD1-CG 4.48Å; F351-R374 HydrophobicContact CG-CG 4.42Å; F351-D376 HydrophobicContact CD1-CB 4.03Å; F351-D376 HydrophobicContact CE1-CB 3.9Å
352	V	97.5	Very high	93.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	125.8	175.7	-173.7	0	0	0	0	109.4	F303 V345 V347 V354 R374 Y375 T593 I595	F303-V352 HydrophobicContact CE1-CG1 4.41Å; F303-V352 HydrophobicContact CE2-CG1 3.91Å; F303-V352 HydrophobicContact CZ-CB 4.23Å; F303-V352 HydrophobicContact CZ-CG1 3.73Å; F303-V352 HydrophobicContact CZ-CG2 4.15Å; V345-V352 HydrophobicContact CB-CG1 4.24Å; V345-V352 HydrophobicContact CG1-CG1 4.44Å; V347-V352 HydrophobicContact CG2-CG2 4.19Å; V352-V354 HydrophobicContact CG1-CG2 4.14Å; V352-R374 CarbonylContact O-C 3.49Å; V352-R374 VanDerWaalsContact O-CA 3.31Å; V352-R374 WeakPolarHBondContact O-CA 3.27Å; V352-Y375 HydrophobicContact CG2-CD1 4.4Å; V352-Y375 PolarHBondContact N-O 3.47Å; V352-Y375 PolarHBondContact O-N 3.49Å; V352-T593 HydrophobicContact CG1-CG2 4.06Å; V352-T593 HydrophobicContact CG2-CG2 4.11Å; V352-I595 HydrophobicContact CG2-CD1 3.86Å; V352-I595 HydrophobicContact CG2-CG2 3.56Å
353	Y	98	Very high	92.9	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	118.8	173.5	-67.3	-99.7	0	0	0	108.6	V345 S346 L348 F351 F373 R374 I385 L404 Y422	V345-Y353 VanDerWaalsContact CA-O 3.23Å; V345-Y353 WeakPolarHBondContact CA-O 3.21Å; S346-Y353 PolarHBondContact N-O 3.46Å; S346-Y353 PolarHBondContact O-N 2.59Å; L348-Y353 HydrophobicContact CB-CD2 4.39Å; L348-Y353 HydrophobicContact CB-CE2 3.86Å; F351-Y353 HydrophobicContact CB-CE2 3.92Å; Y353-F373 CarbonylContact C-O 3.54Å; Y353-F373 WeakPolarHBondContact CA-O 3.34Å; Y353-R374 HydrophobicContact CD1-CB 4.09Å; Y353-R374 HydrophobicContact CD1-CG 4.09Å; Y353-R374 HydrophobicContact CD2-CG 4.44Å; Y353-R374 HydrophobicContact CE1-CB 4Å; Y353-R374 HydrophobicContact CE1-CG 3.76Å; Y353-R374 HydrophobicContact CE2-CG 4.1Å; Y353-R374 HydrophobicContact CG-CG 4.43Å; Y353-R374 VanDerWaalsContact CZ-CD 3.46Å; Y353-R374 WeakPolarHBondContact OH-CD 3.42Å; Y353-I385 HydrophobicContact CD1-CD1 3.66Å; Y353-I385 HydrophobicContact CE1-CD1 4.02Å; Y353-L404 HydrophobicContact CD1-CD1 3.42Å; Y353-L404 VanDerWaalsContact CD1-CD1 3.42Å; Y353-L404 HydrophobicContact CD2-CD1 3.93Å; Y353-L404 HydrophobicContact CD2-CD2 4.49Å; Y353-L404 HydrophobicContact CE1-CD1 4Å; Y353-L404 HydrophobicContact CE2-CD1 4.47Å; Y353-L404 HydrophobicContact CG-CD1 3.36Å; Y353-Y422 HydrophobicContact CD1-CE1 4.41Å; Y353-Y422 HydrophobicContact CE1-CD1 4.48Å; Y353-Y422 AromaticContact CE1-CE1 3.86Å; Y353-Y422 HydrophobicContact CE1-CE1 3.86Å
354	V	97.5	Very high	92.1	Very high	8 Å²	8	34.8 Å²	34.8	5%	0.048	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	115.1	177.4	-171.5	0	0	0	0	107.5	F303 M336 A343 V345 V352 F373 W382	F303-V354 HydrophobicContact CD1-CG2 4.11Å; F303-V354 HydrophobicContact CE1-CG2 4.33Å; M336-V354 HydrophobicContact SD-CG1 4.34Å; A343-V354 HydrophobicContact CB-CG1 3.91Å; V345-V354 HydrophobicContact CG1-CB 4.46Å; V345-V354 HydrophobicContact CG1-CG1 4.29Å; V345-V354 HydrophobicContact CG1-CG2 4.03Å; V352-V354 HydrophobicContact CG1-CG2 4.14Å; V354-F373 PolarHBondContact N-O 3.02Å; V354-F373 PolarHBondContact O-N 2.63Å; V354-W382 HydrophobicContact CB-CZ3 4.41Å; V354-W382 HydrophobicContact CG2-CH2 4.01Å; V354-W382 HydrophobicContact CG2-CZ3 3.75Å
355	V	97.9	Very high	91.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	137.7	-167.6	176.2	0	0	0	0	110.5	C344 C372 M388 F395 L397 W429	C344-V355 PolarHBondContact N-O 2.55Å; C344-V355 PolarHBondContact O-N 3.37Å; V355-C372 VanDerWaalsContact CG1-SG 3.54Å; V355-C372 HydrophobicContact CG2-CB 4.22Å; V355-M388 HydrophobicContact CG1-CE 3.55Å; V355-M388 HydrophobicContact CG1-CG 3.93Å; V355-M388 HydrophobicContact CG1-SD 3.36Å; V355-M388 WeakPolarHBondContact CG1-SD 3.47Å; V355-F395 HydrophobicContact CB-CZ 4.39Å; V355-F395 HydrophobicContact CG1-CE2 4.29Å; V355-F395 HydrophobicContact CG1-CZ 4Å; V355-F395 VanDerWaalsContact O-CZ 3.28Å; V355-F395 WeakPolarHBondContact O-CZ 3.28Å; V355-L397 HydrophobicContact CB-CD1 4.45Å; V355-L397 HydrophobicContact CB-CD2 3.92Å; V355-L397 HydrophobicContact CG2-CD1 4.33Å; V355-L397 HydrophobicContact CG2-CD2 3.66Å; V355-W429 HydrophobicContact CG1-CH2 4.2Å; V355-W429 HydrophobicContact CG1-CZ2 4.08Å; V355-W429 HydrophobicContact CG2-CZ2 4.22Å
356	G	96.8	Very high	90.7	Very high	5 Å²	5	38.1 Å²	38.1	5%	0.052	19%	0.186	C	C	.	.			trans	62.4	-145	173.6	0	0	0	0	0	113.5	V369 I371	G356-V369 WeakPolarHBondContact CA-O 3.37Å; G356-I371 PolarHBondContact N-O 3.45Å
357	G	95.5	Very high	90.2	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.			trans	89.7	-153.7	-174.7	0	0	0	0	0	111.6	S341 H342 A368 V369 R392 I393	S341-G357 CarbonylContact O-C 3.59Å; S341-G357 VanDerWaalsContact O-CA 3.27Å; S341-G357 WeakPolarHBondContact O-CA 3.39Å; H342-G357 WeakPolarHBondContact O-CA 3.48Å; G357-A368 WeakPolarHBondContact O-CA 3.39Å; G357-V369 WeakPolarHBondContact O-CG2 3.39Å; G357-V369 PolarHBondContact O-N 2.9Å; G357-R392 PolarHBondContact N-O 2.82Å; G357-I393 WeakPolarHBondContact O-CG2 3.11Å
358	Q	92.8	Very high	90.1	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.009	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-142.8	141.3	178.6	61.3	-173	0.7	0	0	111.6	S340 S341 Y362 G367 I393	S340-Q358 WeakPolarHBondContact CA-O 3.48Å; S341-Q358 PolarHBondContact N-O 3.4Å; S341-Q358 PolarHBondContact O-N 2.9Å; S341-Q358 VanDerWaalsContact OG-CG 3.27Å; S341-Q358 WeakPolarHBondContact OG-CG 3.1Å; S341-Q358 PolarHBondContact OG-NE2 3.4Å; Q358-Y362 PolarHBondContact OE1-O 3.36Å; Q358-G367 VanDerWaalsContact CA-O 3.29Å; Q358-G367 WeakPolarHBondContact CA-O 3.42Å; Q358-G367 WeakPolarHBondContact CB-O 3.13Å; Q358-I393 HydrophobicContact CB-CG2 3.92Å; Q358-I393 HydrophobicContact CG-CG2 4.34Å
359	H	89.2	Confident	90.1	Very high	53 Å²	53	37.4 Å²	37.4	25%	0.245	19%	0.186	C	C	.	.	S	Bend	trans	-91.9	-9.8	179.8	-61.6	174.9	0	0	0	113.5	V315 T338 G339	V315-H359 WeakPolarHBondContact CG2-O 3.46Å; T338-H359 HydrophobicContact CG2-CB 4.41Å; T338-H359 VanDerWaalsContact CG2-CE1 3.49Å; T338-H359 WeakPolarHBondContact CG2-CE1 3.37Å; T338-H359 WeakPolarHBondContact CG2-ND1 3.4Å; G339-H359 PolarHBondContact O-CD2 3.05Å; G339-H359 VanDerWaalsContact O-CD2 3.32Å
360	L	84.9	Confident	90.3	Very high	91 Å²	91	37.4 Å²	37.4	48%	0.476	19%	0.186	S	C	.	.	S	Bend	trans	-139.2	134.3	174.6	-74.1	172	0	0	0	106.4	Y362	L360-Y362 HydrophobicContact CB-CD2 4.1Å; L360-Y362 HydrophobicContact CB-CE2 3.61Å; L360-Y362 HydrophobicContact CD1-CE2 4.32Å; L360-Y362 VanDerWaalsContact O-CD2 3.27Å; L360-Y362 WeakPolarHBondContact O-CD2 3.48Å; L360-Y362 PolarHBondContact O-N 2.84Å
361	Q	81.4	Confident	90.3	Very high	47 Å²	47	37.4 Å²	37.4	22%	0.22	19%	0.186	C	C	.	.			trans	-69.5	108.9	-177.6	-170	70.8	7.4	0	0	110.5	T306 R313 S341	T306-Q361 HydrophobicContact CG2-CB 4.12Å; T306-Q361 HydrophobicContact CG2-CG 3.83Å; T306-Q361 PolarHBondContact OG1-OE1 3.1Å; R313-Q361 HydrophobicContact CB-CB 4.17Å; R313-Q361 WeakPolarHBondContact CD-O 3.42Å; R313-Q361 WeakPolarHBondContact CG-O 3.43Å; R313-Q361 PolarHBondContact O-N 2.89Å; S341-Q361 PolarHBondContact OG-OE1 2.62Å
362	Y	80.2	Confident	90.4	Very high	64 Å²	64	37.1 Å²	37.1	25%	0.251	19%	0.185	S	C	.	.			trans	-114	139.5	167.3	-71	-88.3	0	0	0	109.5	R313 Q358 L360 S364	R313-Y362 PolarHBondContact NH1-OH 3.07Å; Q358-Y362 PolarHBondContact OE1-O 3.36Å; L360-Y362 HydrophobicContact CB-CD2 4.1Å; L360-Y362 HydrophobicContact CB-CE2 3.61Å; L360-Y362 HydrophobicContact CD1-CE2 4.32Å; L360-Y362 VanDerWaalsContact O-CD2 3.27Å; L360-Y362 WeakPolarHBondContact O-CD2 3.48Å; L360-Y362 PolarHBondContact O-N 2.84Å; Y362-S364 VanDerWaalsContact C-N 3.26Å
363	R	73.3	Confident	90.3	Very high	199 Å²	199	38.2 Å²	38.2	75%	0.751	19%	0.189	S	C	*	.	S	Bend	trans	-73.1	-24.6	172.3	-63.9	-171.8	-175.9	-163.3	2.4	111.5	D310 R410	D310-R363 IonicContact OD1-CZ 3.08Å; D310-R363 IonicContact OD1-NH2 3.29Å; D310-R363 PolarHBondContact OD1-NH2 2.88Å; D310-R363 IonicContact OD2-NH2 3.42Å; R363-R410 PolarHBondContact O-NH1 3.45Å; R363-R410 PolarHBondContact O-NH2 2.83Å
364	S	79	Confident	90.3	Very high	42 Å²	42	38.7 Å²	38.7	29%	0.294	19%	0.191	S	C	.	.	S	Bend	trans	-86.6	170.8	174.1	61.4	0	0	0	0	111.4	Y362 E366	Y362-S364 VanDerWaalsContact C-N 3.26Å; S364-E366 PolarHBondContact O-N 3.22Å; S364-E366 WeakPolarHBondContact OG-CB 3.35Å; S364-E366 WeakPolarHBondContact OG-CG 3.26Å; S364-E366 PolarHBondContact OG-OE2 2.74Å
365	G	79.7	Confident	90.2	Very high	7 Å²	7	38.4 Å²	38.4	7%	0.072	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-72.8	5.8	172.5	0	0	0	0	0	115	G367 A368 N411 R412	G365-G367 VanDerWaalsContact C-N 3.29Å; G365-G367 PolarHBondContact O-N 2.96Å; G365-A368 WeakPolarHBondContact O-CB 3.3Å; G365-A368 PolarHBondContact O-N 3.29Å; G365-N411 CarbonylContact O-C 3.1Å; G365-N411 VanDerWaalsContact O-CA 3.29Å; G365-N411 WeakPolarHBondContact O-CA 3.44Å; G365-R412 PolarHBondContact O-N 2.83Å
366	E	84.7	Confident	90.1	Very high	102 Å²	102	39.3 Å²	39.3	48%	0.477	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-68.3	-26.1	-172.2	-69.7	175	146.4	0	0	114.2	S364 A368 R412	S364-E366 PolarHBondContact O-N 3.22Å; S364-E366 WeakPolarHBondContact OG-CB 3.35Å; S364-E366 WeakPolarHBondContact OG-CG 3.26Å; S364-E366 PolarHBondContact OG-OE2 2.74Å; E366-A368 VanDerWaalsContact C-N 3.33Å; E366-R412 HydrophobicContact CG-CG 4.26Å
367	G	87.2	Confident	89.9	Confident	11 Å²	11	39.2 Å²	39.2	11%	0.113	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-84.7	-0.7	179.2	0	0	0	0	0	114.8	Q358 G365 V369	Q358-G367 VanDerWaalsContact CA-O 3.29Å; Q358-G367 WeakPolarHBondContact CA-O 3.42Å; Q358-G367 WeakPolarHBondContact CB-O 3.13Å; G365-G367 VanDerWaalsContact C-N 3.29Å; G365-G367 PolarHBondContact O-N 2.96Å; G367-V369 PolarHBondContact O-N 2.67Å
368	A	95	Very high	89.5	Confident	23 Å²	23	41.2 Å²	41.2	19%	0.19	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-65.1	132.6	-175.1	0	0	0	0	0	112.6	G357 G365 E366 I393 N411	G357-A368 WeakPolarHBondContact O-CA 3.39Å; G365-A368 WeakPolarHBondContact O-CB 3.3Å; G365-A368 PolarHBondContact O-N 3.29Å; E366-A368 VanDerWaalsContact C-N 3.33Å; A368-I393 HydrophobicContact CB-CB 4.44Å; A368-I393 HydrophobicContact CB-CG1 4.24Å; A368-I393 HydrophobicContact CB-CG2 3.83Å; A368-N411 HydrophobicContact CB-CB 3.9Å
369	V	96.4	Very high	89.3	Confident	24 Å²	24	43 Å²	43	15%	0.145	21%	0.211	C	C	.	.			trans	-115.3	158.2	177.4	-59	0	0	0	0	111.8	G356 G357 G367 G391 R392	G356-V369 WeakPolarHBondContact CA-O 3.37Å; G357-V369 WeakPolarHBondContact O-CG2 3.39Å; G357-V369 PolarHBondContact O-N 2.9Å; G367-V369 PolarHBondContact O-N 2.67Å; V369-G391 CarbonylContact O-C 3.54Å; V369-G391 VanDerWaalsContact O-CA 3.23Å; V369-G391 WeakPolarHBondContact O-CA 3.39Å; V369-R392 PolarHBondContact O-N 2.86Å
370	D	96.8	Very high	89.4	Confident	64 Å²	64	43 Å²	43	34%	0.342	22%	0.218	S	C	.	.			trans	-102.8	-1	177.4	59.7	-8.4	0	0	0	112.8	C372 P387 M388	D370-C372 PolarHBondContact O-SG 3.37Å; D370-P387 HydrophobicContact CB-CB 4.27Å; D370-P387 CarbonylContact O-C 3.55Å; D370-P387 VanDerWaalsContact O-CA 3.22Å; D370-P387 WeakPolarHBondContact O-CA 3.29Å; D370-P387 WeakPolarHBondContact O-CB 3.3Å; D370-M388 HydrophobicContact CB-CB 4.27Å; D370-M388 PolarHBondContact O-N 3.04Å
371	I	96.5	Very high	89.7	Confident	36 Å²	36	44.7 Å²	44.7	19%	0.185	22%	0.221	C	C	.	.			trans	-68	140.7	-173.1	-62	167	0	0	0	110.3	G356 F373	G356-I371 PolarHBondContact N-O 3.45Å; I371-F373 HydrophobicContact CG2-CD2 3.94Å; I371-F373 HydrophobicContact CG2-CE2 3.29Å; I371-F373 HydrophobicContact CG2-CZ 3.67Å
372	C	97.4	Very high	90.4	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.007	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	134.8	-177	-60.2	0	0	0	0	110.2	V355 D370 I385	V355-C372 VanDerWaalsContact CG1-SG 3.54Å; V355-C372 HydrophobicContact CG2-CB 4.22Å; D370-C372 PolarHBondContact O-SG 3.37Å; C372-I385 HydrophobicContact CB-CD1 3.79Å; C372-I385 HydrophobicContact CB-CG1 3.31Å; C372-I385 PolarHBondContact O-N 2.77Å
373	F	97.1	Very high	91.1	Very high	22 Å²	22	43.7 Å²	43.7	10%	0.096	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	150.3	174.6	-64.9	-80.1	0	0	0	111.1	E337 Y353 V354 I371 W382 L383 R384	E337-F373 HydrophobicContact CB-CE1 4.32Å; E337-F373 HydrophobicContact CB-CZ 4.27Å; E337-F373 HydrophobicContact CG-CE1 4.47Å; E337-F373 WeakPolarHBondContact OE2-CE1 3.38Å; Y353-F373 CarbonylContact C-O 3.54Å; Y353-F373 WeakPolarHBondContact CA-O 3.34Å; V354-F373 PolarHBondContact N-O 3.02Å; V354-F373 PolarHBondContact O-N 2.63Å; I371-F373 HydrophobicContact CG2-CD2 3.94Å; I371-F373 HydrophobicContact CG2-CE2 3.29Å; I371-F373 HydrophobicContact CG2-CZ 3.67Å; F373-W382 HydrophobicContact CB-CE3 3.86Å; F373-W382 HydrophobicContact CB-CZ3 4.14Å; F373-L383 CarbonylContact C-O 3.59Å; F373-L383 WeakPolarHBondContact CA-O 3.37Å; F373-R384 HydrophobicContact CD1-CB 4.04Å; F373-R384 HydrophobicContact CD1-CG 4.35Å; F373-R384 HydrophobicContact CE1-CB 3.91Å; F373-R384 HydrophobicContact CE1-CG 4.03Å
374	R	97	Very high	92.2	Very high	11 Å²	11	41.6 Å²	41.6	4%	0.042	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.1	167.2	-172.9	-173.1	75.1	169	9.2	109.1	P280 F351 V352 Y353 L383 I385	P280-R374 PolarHBondContact O-NH1 3.1Å; P280-R374 PolarHBondContact O-NH2 2.8Å; F351-R374 HydrophobicContact CB-CG 3.89Å; F351-R374 HydrophobicContact CD1-CG 4.48Å; F351-R374 HydrophobicContact CG-CG 4.42Å; V352-R374 CarbonylContact O-C 3.49Å; V352-R374 VanDerWaalsContact O-CA 3.31Å; V352-R374 WeakPolarHBondContact O-CA 3.27Å; Y353-R374 HydrophobicContact CD1-CB 4.09Å; Y353-R374 HydrophobicContact CD1-CG 4.09Å; Y353-R374 HydrophobicContact CD2-CG 4.44Å; Y353-R374 HydrophobicContact CE1-CB 4Å; Y353-R374 HydrophobicContact CE1-CG 3.76Å; Y353-R374 HydrophobicContact CE2-CG 4.1Å; Y353-R374 HydrophobicContact CG-CG 4.43Å; Y353-R374 VanDerWaalsContact CZ-CD 3.46Å; Y353-R374 WeakPolarHBondContact OH-CD 3.42Å; R374-L383 HydrophobicContact CB-CB 4.46Å; R374-L383 PolarHBondContact N-O 3.07Å; R374-L383 PolarHBondContact O-N 2.92Å; R374-I385 HydrophobicContact CB-CG2 3.92Å
375	Y	96.3	Very high	93.1	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.008	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	128.7	173	-179.9	-118.8	0	0	0	110.5	T334 V352 P377 S380 W382	T334-Y375 HydrophobicContact CG2-CE2 4.21Å; V352-Y375 HydrophobicContact CG2-CD1 4.4Å; V352-Y375 PolarHBondContact N-O 3.47Å; V352-Y375 PolarHBondContact O-N 3.49Å; Y375-P377 HydrophobicContact CD1-CB 4.45Å; Y375-P377 HydrophobicContact CE1-CB 3.96Å; Y375-S380 PolarHBondContact OH-OG 2.95Å; Y375-W382 AromaticContact CD2-CD2 3.77Å; Y375-W382 HydrophobicContact CD2-CD2 3.77Å; Y375-W382 AromaticContact CD2-CE2 3.54Å; Y375-W382 HydrophobicContact CD2-CE3 4.24Å; Y375-W382 HydrophobicContact CD2-CG 4.21Å; Y375-W382 HydrophobicContact CD2-CH2 4.3Å; Y375-W382 AromaticContact CD2-CZ2 3.82Å; Y375-W382 HydrophobicContact CD2-CZ2 3.82Å; Y375-W382 AromaticContact CD2-NE1 3.88Å; Y375-W382 HydrophobicContact CE2-CZ2 4.41Å; Y375-W382 HydrophobicContact CG-CD2 4.37Å; Y375-W382 HydrophobicContact CG-CE3 4.4Å; Y375-W382 HydrophobicContact CG-CH2 4.17Å; Y375-W382 HydrophobicContact CG-CZ2 4.11Å; Y375-W382 HydrophobicContact CG-CZ3 4.33Å
376	D	94.2	Very high	94	Very high	19 Å²	19	43.7 Å²	43.7	10%	0.102	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	107.9	168.8	-177	-9.2	0	0	0	109.3	F351 H378 S380 K381	F351-D376 HydrophobicContact CD1-CB 4.03Å; F351-D376 HydrophobicContact CE1-CB 3.9Å; D376-H378 PolarHBondContact O-N 2.76Å; D376-H378 VanDerWaalsContact OD1-CB 3.26Å; D376-H378 WeakPolarHBondContact OD1-CB 3.41Å; D376-H378 PolarHBondContact OD1-N 3.23Å; D376-S380 WeakPolarHBondContact O-CA 3.21Å; D376-S380 PolarHBondContact O-N 2.9Å; D376-K381 PolarHBondContact N-O 3.41Å; D376-K381 PolarHBondContact O-N 2.94Å; D376-K381 VanDerWaalsContact O-N 3.16Å
377	P	92.9	Very high	94.6	Very high	4 Å²	4	40.7 Å²	40.7	3%	0.026	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-16.7	-179.7	29.7	-36	0	0	0	113.8	I293 N350 Y375 I595 L597 P598	I293-P377 HydrophobicContact CD1-CB 4.47Å; I293-P377 HydrophobicContact CD1-CG 4.01Å; N350-P377 WeakPolarHBondContact ND2-CG 3.13Å; N350-P377 WeakPolarHBondContact O-CD 3.39Å; N350-P377 VanDerWaalsContact O-CG 3.27Å; N350-P377 WeakPolarHBondContact O-CG 3.49Å; Y375-P377 HydrophobicContact CD1-CB 4.45Å; Y375-P377 HydrophobicContact CE1-CB 3.96Å; P377-I595 HydrophobicContact CB-CD1 3.57Å; P377-I595 HydrophobicContact CG-CD1 3.92Å; P377-L597 HydrophobicContact CB-CD2 3.92Å; P377-P598 WeakPolarHBondContact O-CD 3.44Å
378	H	88.8	Confident	95.2	Very high	42 Å²	42	40.4 Å²	40.4	19%	0.194	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-51.6	179.4	173.8	56.6	0	0	0	111.1	L244 I293 D376	L244-H378 PolarHBondContact O-CE1 2.94Å; L244-H378 VanDerWaalsContact O-CE1 3.26Å; L244-H378 PolarHBondContact O-NE2 3.24Å; I293-H378 HydrophobicContact CD1-CB 3.73Å; I293-H378 HydrophobicContact CG1-CB 3.95Å; D376-H378 PolarHBondContact O-N 2.76Å; D376-H378 VanDerWaalsContact OD1-CB 3.26Å; D376-H378 WeakPolarHBondContact OD1-CB 3.41Å; D376-H378 PolarHBondContact OD1-N 3.23Å
379	L	87.9	Confident	95.3	Very high	39 Å²	39	44.2 Å²	44.2	20%	0.204	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-5.1	178	-61.7	179.4	0	0	0	113.4	P246 K381	P246-L379 HydrophobicContact CG-CD2 4.05Å; L379-K381 VanDerWaalsContact C-N 3.27Å; L379-K381 HydrophobicContact CB-CB 4.23Å; L379-K381 HydrophobicContact CB-CD 3.95Å; L379-K381 HydrophobicContact CB-CG 3.93Å; L379-K381 HydrophobicContact CD1-CD 4.26Å; L379-K381 PolarHBondContact O-N 2.89Å
380	S	90.7	Very high	95.3	Very high	54 Å²	54	45.5 Å²	45.5	38%	0.378	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	50.9	-167.9	-159.2	0	0	0	0	111.6	Y375 D376	Y375-S380 PolarHBondContact OH-OG 2.95Å; D376-S380 WeakPolarHBondContact O-CA 3.21Å; D376-S380 PolarHBondContact O-N 2.9Å
381	K	92	Very high	95.3	Very high	125 Å²	125	43.1 Å²	43.1	54%	0.543	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	142	-177.2	-75.5	-177.3	-176.9	177.7	0	111.3	D376 L379	D376-K381 PolarHBondContact N-O 3.41Å; D376-K381 PolarHBondContact O-N 2.94Å; D376-K381 VanDerWaalsContact O-N 3.16Å; L379-K381 VanDerWaalsContact C-N 3.27Å; L379-K381 HydrophobicContact CB-CB 4.23Å; L379-K381 HydrophobicContact CB-CD 3.95Å; L379-K381 HydrophobicContact CB-CG 3.93Å; L379-K381 HydrophobicContact CD1-CD 4.26Å; L379-K381 PolarHBondContact O-N 2.89Å
382	W	95.1	Very high	95.3	Very high	42 Å²	42	41.4 Å²	41.4	16%	0.159	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	139.9	171.7	-65.3	96.6	0	0	0	109.9	F303 V319 E335 M336 E337 V354 F373 Y375	F303-W382 HydrophobicContact CD1-CH2 4Å; F303-W382 AromaticContact CE1-CH2 3.84Å; F303-W382 HydrophobicContact CE1-CH2 3.84Å; F303-W382 HydrophobicContact CE1-CZ2 4.41Å; V319-W382 HydrophobicContact CG2-CZ2 4.19Å; E335-W382 PolarHBondContact O-NE1 2.85Å; M336-W382 HydrophobicContact CB-CH2 4.35Å; M336-W382 HydrophobicContact CB-CZ2 4.18Å; M336-W382 HydrophobicContact CG-CH2 3.73Å; M336-W382 HydrophobicContact CG-CZ2 3.76Å; M336-W382 HydrophobicContact SD-CH2 4.45Å; E337-W382 HydrophobicContact CG-CB 4Å; E337-W382 HydrophobicContact CG-CG 4.19Å; E337-W382 WeakPolarHBondContact OE1-CB 3.24Å; V354-W382 HydrophobicContact CB-CZ3 4.41Å; V354-W382 HydrophobicContact CG2-CH2 4.01Å; V354-W382 HydrophobicContact CG2-CZ3 3.75Å; F373-W382 HydrophobicContact CB-CE3 3.86Å; F373-W382 HydrophobicContact CB-CZ3 4.14Å; Y375-W382 AromaticContact CD2-CD2 3.77Å; Y375-W382 HydrophobicContact CD2-CD2 3.77Å; Y375-W382 AromaticContact CD2-CE2 3.54Å; Y375-W382 HydrophobicContact CD2-CE3 4.24Å; Y375-W382 HydrophobicContact CD2-CG 4.21Å; Y375-W382 HydrophobicContact CD2-CH2 4.3Å; Y375-W382 AromaticContact CD2-CZ2 3.82Å; Y375-W382 HydrophobicContact CD2-CZ2 3.82Å; Y375-W382 AromaticContact CD2-NE1 3.88Å; Y375-W382 HydrophobicContact CE2-CZ2 4.41Å; Y375-W382 HydrophobicContact CG-CD2 4.37Å; Y375-W382 HydrophobicContact CG-CE3 4.4Å; Y375-W382 HydrophobicContact CG-CH2 4.17Å; Y375-W382 HydrophobicContact CG-CZ2 4.11Å; Y375-W382 HydrophobicContact CG-CZ3 4.33Å
383	L	95.4	Very high	95.2	Very high	48 Å²	48	41.4 Å²	41.4	25%	0.251	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	117.7	172.4	175.8	67	0	0	0	108	P280 F281 F373 R374 I385	P280-L383 HydrophobicContact CB-CD2 3.89Å; P280-L383 HydrophobicContact CG-CD2 4.44Å; F281-L383 HydrophobicContact CD1-CD2 4.5Å; F281-L383 HydrophobicContact CE1-CD2 3.93Å; F281-L383 HydrophobicContact CZ-CD2 4.27Å; F373-L383 CarbonylContact C-O 3.59Å; F373-L383 WeakPolarHBondContact CA-O 3.37Å; R374-L383 HydrophobicContact CB-CB 4.46Å; R374-L383 PolarHBondContact N-O 3.07Å; R374-L383 PolarHBondContact O-N 2.92Å; L383-I385 HydrophobicContact CD2-CG2 4.42Å; L383-I385 HydrophobicContact CG-CG2 4.34Å; L383-I385 PolarHBondContact O-N 3.04Å
384	R	96.9	Very high	95.2	Very high	156 Å²	156	41.4 Å²	41.4	59%	0.589	20%	0.199	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	126.6	169.1	-171.3	173.3	177.9	176.7	0.8	109.6	F373	F373-R384 HydrophobicContact CD1-CB 4.04Å; F373-R384 HydrophobicContact CD1-CG 4.35Å; F373-R384 HydrophobicContact CE1-CB 3.91Å; F373-R384 HydrophobicContact CE1-CG 4.03Å
385	I	97.6	Very high	95.2	Very high	5 Å²	5	41 Å²	41	3%	0.026	20%	0.198	C	C	.	.			trans	-108.6	176.2	176.7	69.1	179.7	0	0	0	109.8	F281 Y353 C372 R374 L383 Y422 N427	F281-I385 HydrophobicContact CE1-CG2 4.18Å; Y353-I385 HydrophobicContact CD1-CD1 3.66Å; Y353-I385 HydrophobicContact CE1-CD1 4.02Å; C372-I385 HydrophobicContact CB-CD1 3.79Å; C372-I385 HydrophobicContact CB-CG1 3.31Å; C372-I385 PolarHBondContact O-N 2.77Å; R374-I385 HydrophobicContact CB-CG2 3.92Å; L383-I385 HydrophobicContact CD2-CG2 4.42Å; L383-I385 HydrophobicContact CG-CG2 4.34Å; L383-I385 PolarHBondContact O-N 3.04Å; I385-Y422 HydrophobicContact CD1-CE1 3.93Å; I385-Y422 HydrophobicContact CD1-CE2 4.28Å; I385-N427 WeakPolarHBondContact CB-OD1 3.37Å
386	Q	98.2	Very high	95.2	Very high	88 Å²	88	43 Å²	43	41%	0.411	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-56.1	130.7	179	-170.2	63.9	22.9	0	0	110.5	Y422 N427 W429	Q386-Y422 HydrophobicContact CB-CE2 4.44Å; Q386-N427 WeakPolarHBondContact CB-O 3.33Å; Q386-N427 WeakPolarHBondContact CG-O 3.32Å; Q386-N427 PolarHBondContact N-OD1 2.79Å; Q386-W429 VanDerWaalsContact O-CD1 3.29Å; Q386-W429 PolarHBondContact O-NE1 2.92Å
387	P	98.3	Very high	95.4	Very high	39 Å²	39	42.4 Å²	42.4	25%	0.253	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-64.5	153.4	174	27.7	-35.6	0	0	0	110.9	D370	D370-P387 HydrophobicContact CB-CB 4.27Å; D370-P387 CarbonylContact O-C 3.55Å; D370-P387 VanDerWaalsContact O-CA 3.22Å; D370-P387 WeakPolarHBondContact O-CA 3.29Å; D370-P387 WeakPolarHBondContact O-CB 3.3Å
388	M	98.1	Very high	95.6	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.02	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-58.9	158.8	168.1	-69.1	-176.9	-64.3	0	0	110.3	V355 D370 E390 R392 F395 A406 W429	V355-M388 HydrophobicContact CG1-CE 3.55Å; V355-M388 HydrophobicContact CG1-CG 3.93Å; V355-M388 HydrophobicContact CG1-SD 3.36Å; V355-M388 WeakPolarHBondContact CG1-SD 3.47Å; D370-M388 HydrophobicContact CB-CB 4.27Å; D370-M388 PolarHBondContact O-N 3.04Å; M388-E390 VanDerWaalsContact C-N 3.28Å; M388-E390 WeakPolarHBondContact CB-O 3.41Å; M388-R392 HydrophobicContact CE-CB 4.1Å; M388-R392 HydrophobicContact CE-CG 4.12Å; M388-R392 HydrophobicContact SD-CG 4.39Å; M388-F395 HydrophobicContact CE-CZ 4.24Å; M388-F395 HydrophobicContact SD-CE2 4.33Å; M388-F395 HydrophobicContact SD-CZ 4.48Å; M388-A406 HydrophobicContact SD-CB 3.82Å; M388-W429 HydrophobicContact CG-CD2 3.99Å; M388-W429 HydrophobicContact CG-CE3 4.3Å; M388-W429 HydrophobicContact CG-CH2 4.11Å; M388-W429 HydrophobicContact CG-CZ2 3.79Å; M388-W429 HydrophobicContact CG-CZ3 4.36Å; M388-W429 HydrophobicContact SD-CH2 4.46Å
389	Q	97.8	Very high	96	Very high	104 Å²	104	42 Å²	42	49%	0.486	21%	0.206	S	C	.	.	S	Bend	trans	-72.4	-27.3	174.4	-57	-159.3	26.3	0	0	111.8	E420 W429 Y431	Q389-E420 WeakPolarHBondContact CB-OE2 3.45Å; Q389-E420 PolarHBondContact N-OE2 3.33Å; Q389-W429 HydrophobicContact CG-CB 4.4Å; Q389-W429 PolarHBondContact NE2-O 3.16Å; Q389-Y431 HydrophobicContact CB-CE1 4.49Å; Q389-Y431 HydrophobicContact CB-CE2 4.16Å; Q389-Y431 HydrophobicContact CG-CE2 4.39Å
390	E	96.3	Very high	96.4	Very high	51 Å²	51	40.6 Å²	40.6	24%	0.238	20%	0.198	C	C	.	.	S	Bend	trans	-126.3	138.5	172.4	-66.5	179.9	-144.5	0	0	111.5	M388 R392 L416 E420 Y431	M388-E390 VanDerWaalsContact C-N 3.28Å; M388-E390 WeakPolarHBondContact CB-O 3.41Å; E390-R392 WeakPolarHBondContact O-CG 3.4Å; E390-L416 VanDerWaalsContact OE2-CD2 3.23Å; E390-L416 WeakPolarHBondContact OE2-CD2 3.17Å; E390-E420 PolarHBondContact N-OE1 3.34Å; E390-Y431 PolarHBondContact OE1-OH 2.81Å
391	G	96.5	Very high	96.6	Very high	14 Å²	14	42.8 Å²	42.8	14%	0.144	20%	0.203	C	C	.	.			trans	-69.1	141.3	169.6	0	0	0	0	0	111.3	V369 N411	V369-G391 CarbonylContact O-C 3.54Å; V369-G391 VanDerWaalsContact O-CA 3.23Å; V369-G391 WeakPolarHBondContact O-CA 3.39Å; G391-N411 WeakPolarHBondContact O-CB 3.42Å; G391-N411 PolarHBondContact O-ND2 2.78Å
392	R	96.9	Very high	96.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.188	C	C	.	.			trans	-141.9	137.9	-172.3	-57	175.4	-174	-96.1	-7.9	112.4	G357 V369 M388 E390 F395 G408 L416 S418 E420	G357-R392 PolarHBondContact N-O 2.82Å; V369-R392 PolarHBondContact O-N 2.86Å; M388-R392 HydrophobicContact CE-CB 4.1Å; M388-R392 HydrophobicContact CE-CG 4.12Å; M388-R392 HydrophobicContact SD-CG 4.39Å; E390-R392 WeakPolarHBondContact O-CG 3.4Å; R392-F395 HydrophobicContact CB-CB 4.12Å; R392-F395 HydrophobicContact CB-CD1 3.41Å; R392-F395 VanDerWaalsContact CB-CD1 3.41Å; R392-F395 HydrophobicContact CB-CD2 4.27Å; R392-F395 HydrophobicContact CB-CE1 3.79Å; R392-F395 HydrophobicContact CB-CG 3.69Å; R392-F395 HydrophobicContact CB-CZ 4.36Å; R392-F395 WeakPolarHBondContact O-CE1 3.41Å; R392-G408 PolarHBondContact NH1-O 3.2Å; R392-L416 HydrophobicContact CG-CD1 3.92Å; R392-S418 PolarHBondContact NH1-O 3.21Å; R392-S418 PolarHBondContact NH1-OG 2.89Å; R392-S418 VanDerWaalsContact NH1-OG 3.17Å; R392-S418 PolarHBondContact NH2-OG 2.88Å; R392-E420 IonicContact CZ-OE1 3.54Å; R392-E420 IonicContact NE-OE1 3.74Å; R392-E420 PolarHBondContact NE-OE1 2.9Å; R392-E420 IonicContact NH2-OE1 2.69Å; R392-E420 PolarHBondContact NH2-OE1 3.22Å
393	I	95.9	Very high	96.8	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-124.4	158.2	160.2	59.3	168.4	0	0	0	110.1	G357 Q358 A368 F395 G409 R410	G357-I393 WeakPolarHBondContact O-CG2 3.11Å; Q358-I393 HydrophobicContact CB-CG2 3.92Å; Q358-I393 HydrophobicContact CG-CG2 4.34Å; A368-I393 HydrophobicContact CB-CB 4.44Å; A368-I393 HydrophobicContact CB-CG1 4.24Å; A368-I393 HydrophobicContact CB-CG2 3.83Å; I393-F395 PolarHBondContact O-N 2.9Å; I393-G409 WeakPolarHBondContact O-CA 3.24Å; I393-R410 HydrophobicContact CD1-CG 4.25Å; I393-R410 HydrophobicContact CG1-CG 3.78Å; I393-R410 WeakPolarHBondContact CG1-O 3.19Å; I393-R410 PolarHBondContact N-O 2.89Å; I393-R410 PolarHBondContact O-N 2.87Å
394	Q	95.6	Very high	96.9	Very high	21 Å²	21	36.4 Å²	36.4	10%	0.098	18%	0.181	C	C	.	.	S	Bend	trans	50.5	42.7	176.9	-64.9	169.5	-36.1	0	0	111.6	W440 G441 L489 E540	Q394-W440 HydrophobicContact CB-CE3 4.3Å; Q394-G441 PolarHBondContact O-N 2.83Å; Q394-L489 HydrophobicContact CB-CD2 4.49Å; Q394-L489 HydrophobicContact CG-CD2 4.1Å; Q394-E540 PolarHBondContact NE2-OE2 3.02Å; Q394-E540 VanDerWaalsContact NE2-OE2 3.09Å
395	F	97.4	Very high	97	Very high	3 Å²	3	29.3 Å²	29.3	1%	0.013	15%	0.154	C	C	.	.			trans	-109.3	-175.6	174.3	72.6	-76.2	0	0	0	108.7	C344 V355 M388 R392 I393 L397 A406 T407 G408	C344-F395 HydrophobicContact CB-CE1 4.34Å; C344-F395 HydrophobicContact CB-CE2 4.03Å; C344-F395 HydrophobicContact CB-CZ 3.83Å; C344-F395 PolarHBondContact SG-O 3.07Å; V355-F395 HydrophobicContact CB-CZ 4.39Å; V355-F395 HydrophobicContact CG1-CE2 4.29Å; V355-F395 HydrophobicContact CG1-CZ 4Å; V355-F395 VanDerWaalsContact O-CZ 3.28Å; V355-F395 WeakPolarHBondContact O-CZ 3.28Å; M388-F395 HydrophobicContact CE-CZ 4.24Å; M388-F395 HydrophobicContact SD-CE2 4.33Å; M388-F395 HydrophobicContact SD-CZ 4.48Å; R392-F395 HydrophobicContact CB-CB 4.12Å; R392-F395 HydrophobicContact CB-CD1 3.41Å; R392-F395 VanDerWaalsContact CB-CD1 3.41Å; R392-F395 HydrophobicContact CB-CD2 4.27Å; R392-F395 HydrophobicContact CB-CE1 3.79Å; R392-F395 HydrophobicContact CB-CG 3.69Å; R392-F395 HydrophobicContact CB-CZ 4.36Å; R392-F395 WeakPolarHBondContact O-CE1 3.41Å; I393-F395 PolarHBondContact O-N 2.9Å; F395-L397 HydrophobicContact CE2-CB 4.29Å; F395-A406 HydrophobicContact CD2-CB 4.17Å; F395-A406 HydrophobicContact CE2-CB 4.01Å; F395-T407 WeakPolarHBondContact CB-O 3.19Å; F395-G408 WeakPolarHBondContact CB-O 3.46Å
396	H	97.1	Very high	97	Very high	44 Å²	44	29 Å²	29	20%	0.204	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	138.7	171	-89.8	-86.9	0	0	0	112.6	A406 T407 H442 A443 G444	H396-A406 CarbonylContact O-C 3.51Å; H396-A406 WeakPolarHBondContact O-CA 3.47Å; H396-T407 PolarHBondContact N-O 2.97Å; H396-T407 PolarHBondContact O-N 2.88Å; H396-T407 PolarHBondContact O-OG1 3.01Å; H396-H442 AromaticContact CD2-CD2 3.78Å; H396-H442 PolarHBondContact CD2-O 2.84Å; H396-H442 PolarHBondContact NE2-O 2.81Å; H396-A443 VanDerWaalsContact NE2-CA 3.33Å; H396-A443 WeakPolarHBondContact NE2-CA 3.25Å; H396-G444 VanDerWaalsContact CG-N 3.27Å; H396-G444 PolarHBondContact ND1-N 3.46Å
397	L	98.2	Very high	97	Very high	7 Å²	7	24.9 Å²	24.9	4%	0.037	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.8	172.7	-174.3	74.5	0	0	0	109.7	C344 V355 F395 L404 Y405 A406 W429	C344-L397 HydrophobicContact CB-CB 3.41Å; C344-L397 VanDerWaalsContact CB-CB 3.41Å; V355-L397 HydrophobicContact CB-CD1 4.45Å; V355-L397 HydrophobicContact CB-CD2 3.92Å; V355-L397 HydrophobicContact CG2-CD1 4.33Å; V355-L397 HydrophobicContact CG2-CD2 3.66Å; F395-L397 HydrophobicContact CE2-CB 4.29Å; L397-L404 HydrophobicContact CD1-CB 3.97Å; L397-Y405 VanDerWaalsContact CA-O 3.31Å; L397-Y405 WeakPolarHBondContact CA-O 3.45Å; L397-A406 HydrophobicContact CD1-CB 4.22Å; L397-W429 HydrophobicContact CD1-CH2 3.88Å
398	N	97.6	Very high	97	Very high	13 Å²	13	23 Å²	23	7%	0.07	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	137.1	178.7	-70.1	-69.9	0	0	0	111.8	L404 Y405 G444 T445 P446 L451	N398-L404 CarbonylContact O-C 3.55Å; N398-L404 WeakPolarHBondContact O-CA 3.37Å; N398-Y405 PolarHBondContact N-O 2.92Å; N398-Y405 PolarHBondContact O-N 2.91Å; N398-G444 PolarHBondContact OD1-O 3.32Å; N398-T445 WeakPolarHBondContact OD1-CA 2.99Å; N398-P446 VanDerWaalsContact OD1-CD 3.3Å; N398-P446 WeakPolarHBondContact OD1-CD 3.29Å; N398-L451 HydrophobicContact CB-CD2 3.75Å
399	A	97.2	Very high	96.9	Very high	23 Å²	23	22.8 Å²	22.8	19%	0.19	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	126.1	169.8	0	0	0	0	0	109.6	S346 Q403 L404	S346-A399 WeakPolarHBondContact OG-CB 3.22Å; S346-A399 PolarHBondContact OG-N 2.98Å; A399-Q403 CarbonylContact C-O 3.32Å; A399-Q403 VanDerWaalsContact CA-O 3.29Å; A399-Q403 WeakPolarHBondContact CA-O 3.36Å; A399-L404 HydrophobicContact CB-CD2 3.74Å
400	L	96.7	Very high	96.8	Very high	10 Å²	10	19.6 Å²	19.6	5%	0.052	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	130.8	175.3	-176.4	68	0	0	0	109.5	G402 Q403 Y405 P446 L451 P472	L400-G402 PolarHBondContact O-N 2.8Å; L400-G402 VanDerWaalsContact O-N 3.12Å; L400-Q403 PolarHBondContact N-O 2.87Å; L400-Q403 PolarHBondContact O-N 3.32Å; L400-Y405 HydrophobicContact CB-CD2 4.1Å; L400-Y405 HydrophobicContact CB-CE2 3.95Å; L400-P446 HydrophobicContact CD1-CB 4.13Å; L400-L451 HydrophobicContact CB-CD2 3.82Å; L400-L451 HydrophobicContact CB-CG 4.45Å; L400-L451 HydrophobicContact CD2-CD1 4.44Å; L400-L451 HydrophobicContact CD2-CD2 3.72Å; L400-L451 HydrophobicContact CD2-CG 3.61Å; L400-L451 HydrophobicContact CG-CD2 4.25Å; L400-P472 HydrophobicContact CD2-CB 4.47Å; L400-P472 HydrophobicContact CD2-CG 3.77Å
401	Q	94.1	Very high	96.8	Very high	100 Å²	100	18.2 Å²	18.2	47%	0.467	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	37	178.7	-64.1	176.3	-9.8	0	0	114	Q403	Q401-Q403 VanDerWaalsContact C-N 3.33Å; Q401-Q403 PolarHBondContact O-N 2.88Å
402	G	94.1	Very high	96.6	Very high	22 Å²	22	26.7 Å²	26.7	23%	0.227	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	14.1	178.7	0	0	0	0	0	115.4	L400	L400-G402 PolarHBondContact O-N 2.8Å; L400-G402 VanDerWaalsContact O-N 3.12Å
403	Q	96.8	Very high	96.4	Very high	59 Å²	59	32.3 Å²	32.3	28%	0.276	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	162.7	175.7	-61.7	-173.8	89.4	0	0	110.1	A399 L400 Q401 Y405 C421	A399-Q403 CarbonylContact C-O 3.32Å; A399-Q403 VanDerWaalsContact CA-O 3.29Å; A399-Q403 WeakPolarHBondContact CA-O 3.36Å; L400-Q403 PolarHBondContact N-O 2.87Å; L400-Q403 PolarHBondContact O-N 3.32Å; Q401-Q403 VanDerWaalsContact C-N 3.33Å; Q401-Q403 PolarHBondContact O-N 2.88Å; Q403-Y405 HydrophobicContact CB-CE2 4.01Å; Q403-C421 PolarHBondContact OE1-SG 2.79Å
404	L	98.3	Very high	96.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	136	176.3	-46.9	174.4	0	0	0	110.2	Y353 L397 N398 A399 C421 Y422	Y353-L404 HydrophobicContact CD1-CD1 3.42Å; Y353-L404 VanDerWaalsContact CD1-CD1 3.42Å; Y353-L404 HydrophobicContact CD2-CD1 3.93Å; Y353-L404 HydrophobicContact CD2-CD2 4.49Å; Y353-L404 HydrophobicContact CE1-CD1 4Å; Y353-L404 HydrophobicContact CE2-CD1 4.47Å; Y353-L404 HydrophobicContact CG-CD1 3.36Å; L397-L404 HydrophobicContact CD1-CB 3.97Å; N398-L404 CarbonylContact O-C 3.55Å; N398-L404 WeakPolarHBondContact O-CA 3.37Å; A399-L404 HydrophobicContact CB-CD2 3.74Å; L404-C421 CarbonylContact O-C 3.52Å; L404-C421 VanDerWaalsContact O-CA 3.3Å; L404-C421 WeakPolarHBondContact O-CA 3.48Å; L404-Y422 HydrophobicContact CD1-CD1 3.83Å; L404-Y422 HydrophobicContact CG-CD1 4.19Å; L404-Y422 PolarHBondContact N-O 2.85Å; L404-Y422 PolarHBondContact O-N 2.75Å
405	Y	98.6	Very high	96.2	Very high	7 Å²	7	34.5 Å²	34.5	3%	0.027	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	116	-179.8	-67.1	-97.3	0	0	0	110	L397 N398 L400 Q403 E420 C421 V432 L451 Y470	L397-Y405 VanDerWaalsContact CA-O 3.31Å; L397-Y405 WeakPolarHBondContact CA-O 3.45Å; N398-Y405 PolarHBondContact N-O 2.92Å; N398-Y405 PolarHBondContact O-N 2.91Å; L400-Y405 HydrophobicContact CB-CD2 4.1Å; L400-Y405 HydrophobicContact CB-CE2 3.95Å; Q403-Y405 HydrophobicContact CB-CE2 4.01Å; Y405-E420 CarbonylContact C-O 3.51Å; Y405-E420 WeakPolarHBondContact CA-O 3.32Å; Y405-C421 HydrophobicContact CD1-CB 3.98Å; Y405-C421 HydrophobicContact CE1-CB 3.8Å; Y405-V432 HydrophobicContact CD1-CG2 4.41Å; Y405-V432 HydrophobicContact CE1-CG2 4.5Å; Y405-L451 HydrophobicContact CD1-CD1 4.16Å; Y405-L451 HydrophobicContact CD2-CD1 3.97Å; Y405-L451 HydrophobicContact CG-CD1 3.64Å; Y405-Y470 HydrophobicContact CD1-CE1 4.1Å; Y405-Y470 AromaticContact CE1-CE1 3.69Å; Y405-Y470 HydrophobicContact CE1-CE1 3.69Å
406	A	98.5	Very high	96.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	117.9	172.2	0	0	0	0	0	109.3	M388 F395 H396 L397 V419 E420 W429	M388-A406 HydrophobicContact SD-CB 3.82Å; F395-A406 HydrophobicContact CD2-CB 4.17Å; F395-A406 HydrophobicContact CE2-CB 4.01Å; H396-A406 CarbonylContact O-C 3.51Å; H396-A406 WeakPolarHBondContact O-CA 3.47Å; L397-A406 HydrophobicContact CD1-CB 4.22Å; A406-V419 WeakPolarHBondContact O-CA 3.47Å; A406-E420 HydrophobicContact CB-CB 4.49Å; A406-E420 PolarHBondContact N-O 2.55Å; A406-E420 PolarHBondContact O-N 2.93Å; A406-W429 HydrophobicContact CB-CH2 4.08Å; A406-W429 HydrophobicContact CB-CZ3 3.7Å
407	T	98.1	Very high	96.2	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122.2	-166.1	55.3	0	0	0	0	111.5	F395 H396 V419 H442 I453 W477	F395-T407 WeakPolarHBondContact CB-O 3.19Å; H396-T407 PolarHBondContact N-O 2.97Å; H396-T407 PolarHBondContact O-N 2.88Å; H396-T407 PolarHBondContact O-OG1 3.01Å; T407-V419 HydrophobicContact CG2-CG1 3.7Å; T407-V419 HydrophobicContact CG2-CG2 4.29Å; T407-H442 PolarHBondContact O-CE1 3.48Å; T407-H442 PolarHBondContact O-NE2 3.23Å; T407-I453 HydrophobicContact CG2-CD1 3.7Å; T407-I453 VanDerWaalsContact OG1-CD1 3.32Å; T407-I453 WeakPolarHBondContact OG1-CD1 3.46Å; T407-W477 HydrophobicContact CG2-CH2 4.41Å; T407-W477 HydrophobicContact CG2-CZ2 4.42Å
408	G	97	Very high	96.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.192	C	C	.	.			trans	59.4	-144.3	174.8	0	0	0	0	0	113.9	R392 F395 S418	R392-G408 PolarHBondContact NH1-O 3.2Å; F395-G408 WeakPolarHBondContact CB-O 3.46Å; G408-S418 PolarHBondContact N-O 2.83Å
409	G	96.9	Very high	96.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.189	C	C	.	.			trans	102.3	-167	-179.1	0	0	0	0	0	112.9	I393 L416 I439	I393-G409 WeakPolarHBondContact O-CA 3.24Å; G409-L416 WeakPolarHBondContact O-CB 3.38Å; G409-L416 PolarHBondContact O-N 3.23Å; G409-I439 PolarHBondContact N-O 2.96Å
410	R	95.6	Very high	96.3	Very high	36 Å²	36	32.6 Å²	32.6	14%	0.136	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	158.2	174.5	64.1	175.3	178.4	155.7	10.4	112	R363 I393 G414 W440	R363-R410 PolarHBondContact O-NH1 3.45Å; R363-R410 PolarHBondContact O-NH2 2.83Å; I393-R410 HydrophobicContact CD1-CG 4.25Å; I393-R410 HydrophobicContact CG1-CG 3.78Å; I393-R410 WeakPolarHBondContact CG1-O 3.19Å; I393-R410 PolarHBondContact N-O 2.89Å; I393-R410 PolarHBondContact O-N 2.87Å; R410-G414 VanDerWaalsContact CA-O 3.26Å; R410-G414 WeakPolarHBondContact CA-O 3.45Å; R410-G414 WeakPolarHBondContact CB-O 3.46Å; R410-W440 HydrophobicContact CB-CB 3.97Å; R410-W440 HydrophobicContact CB-CG 4.05Å; R410-W440 HydrophobicContact CG-CB 4.1Å; R410-W440 HydrophobicContact CG-CD2 4.23Å; R410-W440 HydrophobicContact CG-CE3 4.42Å; R410-W440 HydrophobicContact CG-CG 4.11Å
411	N	95.6	Very high	96.3	Very high	23 Å²	23	32.3 Å²	32.3	12%	0.123	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	-165.5	172.5	64.3	23.6	0	0	0	110.6	G365 A368 G391 S413 G414	G365-N411 CarbonylContact O-C 3.1Å; G365-N411 VanDerWaalsContact O-CA 3.29Å; G365-N411 WeakPolarHBondContact O-CA 3.44Å; A368-N411 HydrophobicContact CB-CB 3.9Å; G391-N411 WeakPolarHBondContact O-CB 3.42Å; G391-N411 PolarHBondContact O-ND2 2.78Å; N411-S413 PolarHBondContact O-N 2.85Å; N411-S413 WeakPolarHBondContact OD1-CA 3.34Å; N411-S413 WeakPolarHBondContact OD1-CB 3.22Å; N411-S413 PolarHBondContact OD1-N 2.86Å; N411-G414 PolarHBondContact N-O 3.42Å; N411-G414 PolarHBondContact O-N 3.36Å
412	R	92.4	Very high	96.6	Very high	191 Å²	191	27.7 Å²	27.7	72%	0.721	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-31.9	179.9	-174.9	178.1	-62	-175.3	2.1	112.8	G365 E366 G414	G365-R412 PolarHBondContact O-N 2.83Å; E366-R412 HydrophobicContact CG-CG 4.26Å; R412-G414 VanDerWaalsContact C-N 3.28Å; R412-G414 PolarHBondContact O-N 2.79Å
413	S	92.1	Very high	96.7	Very high	118 Å²	118	28 Å²	28	83%	0.825	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-8.4	-179.8	-54.4	0	0	0	0	113.1	N411	N411-S413 PolarHBondContact O-N 2.85Å; N411-S413 WeakPolarHBondContact OD1-CA 3.34Å; N411-S413 WeakPolarHBondContact OD1-CB 3.22Å; N411-S413 PolarHBondContact OD1-N 2.86Å
414	G	93.6	Very high	96.7	Very high	30 Å²	30	25.2 Å²	25.2	31%	0.309	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	112.9	-153.6	179.4	0	0	0	0	0	113.1	R410 N411 R412	R410-G414 VanDerWaalsContact CA-O 3.26Å; R410-G414 WeakPolarHBondContact CA-O 3.45Å; R410-G414 WeakPolarHBondContact CB-O 3.46Å; N411-G414 PolarHBondContact N-O 3.42Å; N411-G414 PolarHBondContact O-N 3.36Å; R412-G414 VanDerWaalsContact C-N 3.28Å; R412-G414 PolarHBondContact O-N 2.79Å
415	S	95.3	Very high	96.6	Very high	39 Å²	39	30.6 Å²	30.6	27%	0.273	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	142.1	-177.1	-50	0	0	0	0	112.4	R438 W440	S415-R438 WeakPolarHBondContact O-CD 3.32Å; S415-R438 PolarHBondContact O-NH1 3.06Å; S415-W440 PolarHBondContact OG-NE1 3.35Å
416	L	96.5	Very high	96.5	Very high	7 Å²	7	37 Å²	37	4%	0.037	19%	0.193	C	C	.	.			trans	-109.4	143.8	-173.7	-55.1	179.2	0	0	0	111.1	E390 R392 G409 R438 I439	E390-L416 VanDerWaalsContact OE2-CD2 3.23Å; E390-L416 WeakPolarHBondContact OE2-CD2 3.17Å; R392-L416 HydrophobicContact CG-CD1 3.92Å; G409-L416 WeakPolarHBondContact O-CB 3.38Å; G409-L416 PolarHBondContact O-N 3.23Å; L416-R438 WeakPolarHBondContact O-CA 3.25Å; L416-I439 PolarHBondContact O-N 3.39Å; L416-I439 VanDerWaalsContact O-N 3.09Å
417	S	96.6	Very high	96.4	Very high	28 Å²	28	38.4 Å²	38.4	20%	0.196	20%	0.201	C	C	.	.			trans	-110.8	-16.2	167.9	43.7	0	0	0	0	112.3	P434 L435	S417-P434 CarbonylContact O-C 3.5Å; S417-P434 WeakPolarHBondContact O-CA 3.31Å; S417-P434 WeakPolarHBondContact O-CB 3.23Å; S417-L435 WeakPolarHBondContact CB-O 3.31Å; S417-L435 WeakPolarHBondContact O-CB 3.33Å; S417-L435 PolarHBondContact O-N 2.93Å
418	S	98	Very high	96.4	Very high	15 Å²	15	43.1 Å²	43.1	11%	0.105	22%	0.223	C	C	.	.			trans	-56.5	140.5	177.8	53	0	0	0	0	112	R392 G408	R392-S418 PolarHBondContact NH1-O 3.21Å; R392-S418 PolarHBondContact NH1-OG 2.89Å; R392-S418 VanDerWaalsContact NH1-OG 3.17Å; R392-S418 PolarHBondContact NH2-OG 2.88Å; G408-S418 PolarHBondContact N-O 2.83Å
419	V	98.4	Very high	96.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	131.8	170.9	-177.2	0	0	0	0	107.6	A406 T407 Y431 V432 L435 W477	A406-V419 WeakPolarHBondContact O-CA 3.47Å; T407-V419 HydrophobicContact CG2-CG1 3.7Å; T407-V419 HydrophobicContact CG2-CG2 4.29Å; V419-Y431 WeakPolarHBondContact O-CA 3.43Å; V419-V432 HydrophobicContact CB-CG2 3.73Å; V419-V432 HydrophobicContact CG1-CG2 3.45Å; V419-V432 VanDerWaalsContact CG1-CG2 3.45Å; V419-V432 PolarHBondContact O-N 2.74Å; V419-V432 VanDerWaalsContact O-N 3.07Å; V419-L435 HydrophobicContact CG2-CD1 4.3Å; V419-L435 HydrophobicContact CG2-CG 3.86Å; V419-W477 HydrophobicContact CG2-CZ2 3.95Å
420	E	98.6	Very high	96.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	136.5	178.8	-62.2	178.8	-123.5	0	0	110.2	Q389 E390 R392 Y405 A406 W429 T430 Y431	Q389-E420 WeakPolarHBondContact CB-OE2 3.45Å; Q389-E420 PolarHBondContact N-OE2 3.33Å; E390-E420 PolarHBondContact N-OE1 3.34Å; R392-E420 IonicContact CZ-OE1 3.54Å; R392-E420 IonicContact NE-OE1 3.74Å; R392-E420 PolarHBondContact NE-OE1 2.9Å; R392-E420 IonicContact NH2-OE1 2.69Å; R392-E420 PolarHBondContact NH2-OE1 3.22Å; Y405-E420 CarbonylContact C-O 3.51Å; Y405-E420 WeakPolarHBondContact CA-O 3.32Å; A406-E420 HydrophobicContact CB-CB 4.49Å; A406-E420 PolarHBondContact N-O 2.55Å; A406-E420 PolarHBondContact O-N 2.93Å; E420-W429 HydrophobicContact CB-CE3 3.65Å; E420-W429 HydrophobicContact CB-CZ3 4.2Å; E420-T430 CarbonylContact C-O 3.58Å; E420-T430 WeakPolarHBondContact CA-O 3.45Å; E420-Y431 HydrophobicContact CG-CD1 3.72Å; E420-Y431 HydrophobicContact CG-CE1 3.7Å
421	C	98.4	Very high	96.7	Very high	4 Å²	4	50.2 Å²	50.2	3%	0.027	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.9	175.1	-177.2	0	0	0	0	109.9	Q403 L404 Y405 W429 T430 V432	Q403-C421 PolarHBondContact OE1-SG 2.79Å; L404-C421 CarbonylContact O-C 3.52Å; L404-C421 VanDerWaalsContact O-CA 3.3Å; L404-C421 WeakPolarHBondContact O-CA 3.48Å; Y405-C421 HydrophobicContact CD1-CB 3.98Å; Y405-C421 HydrophobicContact CE1-CB 3.8Å; C421-W429 WeakPolarHBondContact O-CA 3.47Å; C421-T430 PolarHBondContact N-O 2.81Å; C421-T430 PolarHBondContact O-N 3.47Å; C421-T430 PolarHBondContact O-OG1 2.83Å; C421-V432 HydrophobicContact CB-CG1 3.64Å
422	Y	98.6	Very high	96.8	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.008	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	126.2	173.7	-178.7	-114	0	0	0	110.8	Y353 I385 Q386 L404 P424 N427 E428 W429	Y353-Y422 HydrophobicContact CD1-CE1 4.41Å; Y353-Y422 HydrophobicContact CE1-CD1 4.48Å; Y353-Y422 AromaticContact CE1-CE1 3.86Å; Y353-Y422 HydrophobicContact CE1-CE1 3.86Å; I385-Y422 HydrophobicContact CD1-CE1 3.93Å; I385-Y422 HydrophobicContact CD1-CE2 4.28Å; Q386-Y422 HydrophobicContact CB-CE2 4.44Å; L404-Y422 HydrophobicContact CD1-CD1 3.83Å; L404-Y422 HydrophobicContact CG-CD1 4.19Å; L404-Y422 PolarHBondContact N-O 2.85Å; L404-Y422 PolarHBondContact O-N 2.75Å; Y422-P424 HydrophobicContact CD1-CB 4.49Å; Y422-P424 HydrophobicContact CD1-CG 3.94Å; Y422-P424 HydrophobicContact CE1-CB 3.91Å; Y422-P424 HydrophobicContact CE1-CG 3.84Å; Y422-P424 WeakPolarHBondContact O-CD 3.31Å; Y422-N427 PolarHBondContact OH-OD1 2.8Å; Y422-E428 WeakPolarHBondContact CA-O 3.34Å; Y422-E428 WeakPolarHBondContact CD2-O 3.49Å; Y422-W429 AromaticContact CD2-CD1 3.72Å; Y422-W429 AromaticContact CD2-CD2 3.94Å; Y422-W429 HydrophobicContact CD2-CD2 3.94Å; Y422-W429 AromaticContact CD2-CE2 3.65Å; Y422-W429 AromaticContact CD2-CG 4Å; Y422-W429 HydrophobicContact CD2-CG 4Å; Y422-W429 HydrophobicContact CD2-CZ2 4.23Å; Y422-W429 AromaticContact CD2-NE1 3.49Å; Y422-W429 HydrophobicContact CG-CD2 4.2Å; Y422-W429 AromaticContact CG-CE2 3.9Å; Y422-W429 HydrophobicContact CG-CH2 4.48Å; Y422-W429 HydrophobicContact CG-CZ2 4.06Å
423	C	97.3	Very high	97.1	Very high	29 Å²	29	44.3 Å²	44.3	20%	0.196	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	105.8	170.8	-176.1	0	0	0	0	109.8	K425 K426 N427 E428	C423-K425 PolarHBondContact O-N 2.76Å; C423-K425 VanDerWaalsContact O-N 3.16Å; C423-K426 HydrophobicContact CB-CB 4.32Å; C423-K426 PolarHBondContact O-N 2.85Å; C423-K426 VanDerWaalsContact O-N 3.12Å; C423-N427 PolarHBondContact O-N 3.07Å; C423-E428 PolarHBondContact N-O 2.85Å
424	P	96.6	Very high	97.4	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-34.8	-177.4	-23.9	32.9	0	0	0	113.1	F281 L348 Y422 K426 N427	F281-P424 WeakPolarHBondContact CB-O 3.47Å; F281-P424 CarbonylContact O-C 3.58Å; L348-P424 HydrophobicContact CD2-CG 3.86Å; Y422-P424 HydrophobicContact CD1-CB 4.49Å; Y422-P424 HydrophobicContact CD1-CG 3.94Å; Y422-P424 HydrophobicContact CE1-CB 3.91Å; Y422-P424 HydrophobicContact CE1-CG 3.84Å; Y422-P424 WeakPolarHBondContact O-CD 3.31Å; P424-K426 VanDerWaalsContact C-N 3.3Å; P424-K426 PolarHBondContact O-N 3.4Å; P424-N427 PolarHBondContact O-N 2.93Å
425	K	95.3	Very high	97.5	Very high	113 Å²	113	40.2 Å²	40.2	49%	0.491	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-38	-179.9	-172.8	179.1	176.3	-178.8	0	112.9	F281 R282 H284 C423	F281-K425 WeakPolarHBondContact O-CA 3.38Å; R282-K425 HydrophobicContact CG-CG 4.38Å; H284-K425 PolarHBondContact CE1-N 2.88Å; H284-K425 VanDerWaalsContact CE1-N 3.26Å; C423-K425 PolarHBondContact O-N 2.76Å; C423-K425 VanDerWaalsContact O-N 3.16Å
426	K	96.6	Very high	97.2	Very high	140 Å²	140	44 Å²	44	61%	0.609	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-17.7	-177.6	-65.2	-176.5	180	-179.6	0	112.2	C423 P424 E428	C423-K426 HydrophobicContact CB-CB 4.32Å; C423-K426 PolarHBondContact O-N 2.85Å; C423-K426 VanDerWaalsContact O-N 3.12Å; P424-K426 VanDerWaalsContact C-N 3.3Å; P424-K426 PolarHBondContact O-N 3.4Å; K426-E428 VanDerWaalsContact C-N 3.33Å; K426-E428 HydrophobicContact CB-CB 4.08Å; K426-E428 HydrophobicContact CB-CG 4.1Å
427	N	97.6	Very high	96.8	Very high	30 Å²	30	48.3 Å²	48.3	16%	0.16	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	51.7	-168.7	-174.6	46.7	0	0	0	110.6	F281 I385 Q386 Y422 C423 P424	F281-N427 HydrophobicContact CD1-CB 3.75Å; F281-N427 HydrophobicContact CE1-CB 3.86Å; F281-N427 HydrophobicContact CG-CB 4.1Å; F281-N427 HydrophobicContact CZ-CB 4.31Å; I385-N427 WeakPolarHBondContact CB-OD1 3.37Å; Q386-N427 WeakPolarHBondContact CB-O 3.33Å; Q386-N427 WeakPolarHBondContact CG-O 3.32Å; Q386-N427 PolarHBondContact N-OD1 2.79Å; Y422-N427 PolarHBondContact OH-OD1 2.8Å; C423-N427 PolarHBondContact O-N 3.07Å; P424-N427 PolarHBondContact O-N 2.93Å
428	E	98.1	Very high	96.7	Very high	99 Å²	99	53.7 Å²	53.7	46%	0.463	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	140.6	-174.7	-74.4	173.8	175.9	0	0	110.6	Y422 C423 K426	Y422-E428 WeakPolarHBondContact CA-O 3.34Å; Y422-E428 WeakPolarHBondContact CD2-O 3.49Å; C423-E428 PolarHBondContact N-O 2.85Å; K426-E428 VanDerWaalsContact C-N 3.33Å; K426-E428 HydrophobicContact CB-CB 4.08Å; K426-E428 HydrophobicContact CB-CG 4.1Å
429	W	98.6	Very high	96.6	Very high	11 Å²	11	53 Å²	53	4%	0.042	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.7	168.7	-69.4	91.9	0	0	0	110	V355 Q386 M388 Q389 L397 A406 E420 C421 Y422	V355-W429 HydrophobicContact CG1-CH2 4.2Å; V355-W429 HydrophobicContact CG1-CZ2 4.08Å; V355-W429 HydrophobicContact CG2-CZ2 4.22Å; Q386-W429 VanDerWaalsContact O-CD1 3.29Å; Q386-W429 PolarHBondContact O-NE1 2.92Å; M388-W429 HydrophobicContact CG-CD2 3.99Å; M388-W429 HydrophobicContact CG-CE3 4.3Å; M388-W429 HydrophobicContact CG-CH2 4.11Å; M388-W429 HydrophobicContact CG-CZ2 3.79Å; M388-W429 HydrophobicContact CG-CZ3 4.36Å; M388-W429 HydrophobicContact SD-CH2 4.46Å; Q389-W429 HydrophobicContact CG-CB 4.4Å; Q389-W429 PolarHBondContact NE2-O 3.16Å; L397-W429 HydrophobicContact CD1-CH2 3.88Å; A406-W429 HydrophobicContact CB-CH2 4.08Å; A406-W429 HydrophobicContact CB-CZ3 3.7Å; E420-W429 HydrophobicContact CB-CE3 3.65Å; E420-W429 HydrophobicContact CB-CZ3 4.2Å; C421-W429 WeakPolarHBondContact O-CA 3.47Å; Y422-W429 AromaticContact CD2-CD1 3.72Å; Y422-W429 AromaticContact CD2-CD2 3.94Å; Y422-W429 HydrophobicContact CD2-CD2 3.94Å; Y422-W429 AromaticContact CD2-CE2 3.65Å; Y422-W429 AromaticContact CD2-CG 4Å; Y422-W429 HydrophobicContact CD2-CG 4Å; Y422-W429 HydrophobicContact CD2-CZ2 4.23Å; Y422-W429 AromaticContact CD2-NE1 3.49Å; Y422-W429 HydrophobicContact CG-CD2 4.2Å; Y422-W429 AromaticContact CG-CE2 3.9Å; Y422-W429 HydrophobicContact CG-CH2 4.48Å; Y422-W429 HydrophobicContact CG-CZ2 4.06Å
430	T	98.4	Very high	96.4	Very high	66 Å²	66	54.9 Å²	54.9	41%	0.405	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	142.2	178.5	51	0	0	0	0	110.2	E420 C421	E420-T430 CarbonylContact C-O 3.58Å; E420-T430 WeakPolarHBondContact CA-O 3.45Å; C421-T430 PolarHBondContact N-O 2.81Å; C421-T430 PolarHBondContact O-N 3.47Å; C421-T430 PolarHBondContact O-OG1 2.83Å
431	Y	98.6	Very high	96.3	Very high	108 Å²	108	55 Å²	55	42%	0.424	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	140.6	172.6	-68	-68.5	0	0	0	110.8	Q389 E390 V419 E420	Q389-Y431 HydrophobicContact CB-CE1 4.49Å; Q389-Y431 HydrophobicContact CB-CE2 4.16Å; Q389-Y431 HydrophobicContact CG-CE2 4.39Å; E390-Y431 PolarHBondContact OE1-OH 2.81Å; V419-Y431 WeakPolarHBondContact O-CA 3.43Å; E420-Y431 HydrophobicContact CG-CD1 3.72Å; E420-Y431 HydrophobicContact CG-CE1 3.7Å
432	V	98.2	Very high	96.2	Very high	29 Å²	29	54.9 Å²	54.9	18%	0.176	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	-175.2	169.9	-60.1	0	0	0	0	109	Y405 V419 C421 P434	Y405-V432 HydrophobicContact CD1-CG2 4.41Å; Y405-V432 HydrophobicContact CE1-CG2 4.5Å; V419-V432 HydrophobicContact CB-CG2 3.73Å; V419-V432 HydrophobicContact CG1-CG2 3.45Å; V419-V432 VanDerWaalsContact CG1-CG2 3.45Å; V419-V432 PolarHBondContact O-N 2.74Å; V419-V432 VanDerWaalsContact O-N 3.07Å; C421-V432 HydrophobicContact CB-CG1 3.64Å; V432-P434 VanDerWaalsContact O-N 3.13Å
433	E	98.2	Very high	96.2	Very high	61 Å²	61	54.8 Å²	54.8	29%	0.285	25%	0.25	S	S	.	.	S	Bend	trans	-51.8	121.3	-177.9	-177.1	66.7	-163.9	0	0	111	Y470 D475 W477	E433-Y470 HydrophobicContact CB-CE2 4.34Å; E433-D475 VanDerWaalsContact CB-O 3.26Å; E433-D475 WeakPolarHBondContact CB-O 3.46Å; E433-D475 WeakPolarHBondContact CB-OD1 3.38Å; E433-D475 PolarHBondContact N-OD1 2.86Å; E433-W477 PolarHBondContact O-NE1 2.96Å
434	P	97.9	Very high	96.2	Very high	56 Å²	56	53.6 Å²	53.6	36%	0.364	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-70.8	157.3	-178.9	29.9	-35.5	0	0	0	111	S417 V432	S417-P434 CarbonylContact O-C 3.5Å; S417-P434 WeakPolarHBondContact O-CA 3.31Å; S417-P434 WeakPolarHBondContact O-CB 3.23Å; V432-P434 VanDerWaalsContact O-N 3.13Å
435	L	95.5	Very high	96.2	Very high	6 Å²	6	54 Å²	54	3%	0.031	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-60.7	139.6	169.7	-66.5	161.3	0	0	0	110	S417 V419 R437 I439 I453 W477	S417-L435 WeakPolarHBondContact CB-O 3.31Å; S417-L435 WeakPolarHBondContact O-CB 3.33Å; S417-L435 PolarHBondContact O-N 2.93Å; V419-L435 HydrophobicContact CG2-CD1 4.3Å; V419-L435 HydrophobicContact CG2-CG 3.86Å; L435-R437 VanDerWaalsContact CB-O 3.31Å; L435-R437 WeakPolarHBondContact CB-O 3.36Å; L435-R437 PolarHBondContact O-N 3.02Å; L435-I439 HydrophobicContact CD1-CD1 3.72Å; L435-I439 HydrophobicContact CD1-CG1 3.73Å; L435-I439 HydrophobicContact CD2-CD1 4.48Å; L435-I453 HydrophobicContact CD2-CD1 4.24Å; L435-W477 HydrophobicContact CD2-CD2 3.81Å; L435-W477 HydrophobicContact CD2-CE3 3.9Å; L435-W477 HydrophobicContact CD2-CH2 3.69Å; L435-W477 HydrophobicContact CD2-CZ2 3.6Å; L435-W477 HydrophobicContact CD2-CZ3 3.82Å; L435-W477 HydrophobicContact CG-CZ2 4.3Å
436	K	89.9	Confident	96.3	Very high	118 Å²	118	50.5 Å²	50.5	51%	0.513	23%	0.234	S	C	.	.	S	Bend	trans	-63.2	-17.6	179.3	-56.6	-151.9	-178.7	-176.1	0	113.4	W477 F479	K436-W477 VanDerWaalsContact CE-O 3.24Å; K436-W477 WeakPolarHBondContact CE-O 3.28Å; K436-W477 PolarHBondContact NZ-O 3.17Å; K436-F479 HydrophobicContact CD-CE2 4.12Å
437	R	88.5	Confident	96.3	Very high	99 Å²	99	44.4 Å²	44.4	37%	0.374	21%	0.209	S	C	.	.	S	Bend	trans	-134.9	148.3	175.7	-63.8	-176.1	179.3	166.2	1.8	109.6	L435 I439 D463	L435-R437 VanDerWaalsContact CB-O 3.31Å; L435-R437 WeakPolarHBondContact CB-O 3.36Å; L435-R437 PolarHBondContact O-N 3.02Å; R437-I439 HydrophobicContact CB-CG2 4.36Å; R437-D463 WeakPolarHBondContact CD-OD1 3.33Å; R437-D463 IonicContact CZ-OD1 2.76Å; R437-D463 IonicContact NE-OD1 2.91Å; R437-D463 IonicContact NH1-OD1 3.84Å; R437-D463 PolarHBondContact NH1-OD1 2.88Å
438	R	93.3	Very high	96.2	Very high	140 Å²	140	45.8 Å²	45.8	53%	0.528	23%	0.23	S	C	.	.			trans	-74.3	125.5	171.4	-65.3	169.9	-179.2	-89.7	-2.4	108.1	S415 L416	S415-R438 WeakPolarHBondContact O-CD 3.32Å; S415-R438 PolarHBondContact O-NH1 3.06Å; L416-R438 WeakPolarHBondContact O-CA 3.25Å
439	I	95.4	Very high	96.1	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	24%	0.237	C	C	.	.			trans	-139.8	149.6	-175.2	61.9	174	0	0	0	111.4	G409 L416 L435 R437 H442 I453 Y457	G409-I439 PolarHBondContact N-O 2.96Å; L416-I439 PolarHBondContact O-N 3.39Å; L416-I439 VanDerWaalsContact O-N 3.09Å; L435-I439 HydrophobicContact CD1-CD1 3.72Å; L435-I439 HydrophobicContact CD1-CG1 3.73Å; L435-I439 HydrophobicContact CD2-CD1 4.48Å; R437-I439 HydrophobicContact CB-CG2 4.36Å; I439-H442 HydrophobicContact CD1-CB 3.91Å; I439-I453 HydrophobicContact CD1-CG2 3.79Å; I439-Y457 WeakPolarHBondContact CA-O 3.37Å
440	W	95.9	Very high	96	Very high	39 Å²	39	49 Å²	49	15%	0.148	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-148.9	154.9	170.8	64	-79.8	0	0	0	111.2	Q394 R410 S415 H442 G456 Y457	Q394-W440 HydrophobicContact CB-CE3 4.3Å; R410-W440 HydrophobicContact CB-CB 3.97Å; R410-W440 HydrophobicContact CB-CG 4.05Å; R410-W440 HydrophobicContact CG-CB 4.1Å; R410-W440 HydrophobicContact CG-CD2 4.23Å; R410-W440 HydrophobicContact CG-CE3 4.42Å; R410-W440 HydrophobicContact CG-CG 4.11Å; S415-W440 PolarHBondContact OG-NE1 3.35Å; W440-H442 PolarHBondContact O-N 2.96Å; W440-G456 CarbonylContact O-C 3.54Å; W440-G456 WeakPolarHBondContact O-CA 3.34Å; W440-Y457 AromaticContact CD2-CD2 3.88Å; W440-Y457 HydrophobicContact CD2-CD2 3.88Å; W440-Y457 HydrophobicContact CD2-CG 4.31Å; W440-Y457 AromaticContact CE2-CD2 3.56Å; W440-Y457 AromaticContact CE2-CG 3.71Å; W440-Y457 AromaticContact CE3-CD2 3.79Å; W440-Y457 HydrophobicContact CE3-CD2 3.79Å; W440-Y457 AromaticContact CH2-CD2 3.15Å; W440-Y457 HydrophobicContact CH2-CD2 3.15Å; W440-Y457 AromaticContact CH2-CE2 3.45Å; W440-Y457 HydrophobicContact CH2-CE2 3.45Å; W440-Y457 VanDerWaalsContact CH2-CE2 3.45Å; W440-Y457 AromaticContact CH2-CG 3.99Å; W440-Y457 HydrophobicContact CH2-CG 3.99Å; W440-Y457 HydrophobicContact CZ2-CD1 4.42Å; W440-Y457 AromaticContact CZ2-CD2 3.21Å; W440-Y457 HydrophobicContact CZ2-CD2 3.21Å; W440-Y457 AromaticContact CZ2-CE2 3.89Å; W440-Y457 HydrophobicContact CZ2-CE2 3.89Å; W440-Y457 AromaticContact CZ2-CG 3.55Å; W440-Y457 HydrophobicContact CZ2-CG 3.55Å; W440-Y457 AromaticContact CZ3-CD2 3.45Å; W440-Y457 HydrophobicContact CZ3-CD2 3.45Å; W440-Y457 VanDerWaalsContact CZ3-CD2 3.45Å; W440-Y457 AromaticContact CZ3-CE2 3.83Å; W440-Y457 HydrophobicContact CZ3-CE2 3.83Å; W440-Y457 PolarHBondContact N-O 2.8Å; W440-Y457 VanDerWaalsContact NE1-CB 3.27Å; W440-Y457 PolarHBondContact O-N 3.16Å
441	G	95.3	Very high	96	Very high	2 Å²	2	45.8 Å²	45.8	2%	0.021	23%	0.229	C	C	.	.	S	Bend	trans	64	18.2	-171.8	0	0	0	0	0	113.2	Q394 L489	Q394-G441 PolarHBondContact O-N 2.83Å; G441-L489 PolarHBondContact O-N 2.84Å
442	H	97	Very high	96	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.009	21%	0.211	C	C	.	.			trans	-68.7	171.7	164.8	58.4	-81.3	0	0	0	110.1	H396 T407 I439 W440 I453 S454 G455	H396-H442 AromaticContact CD2-CD2 3.78Å; H396-H442 PolarHBondContact CD2-O 2.84Å; H396-H442 PolarHBondContact NE2-O 2.81Å; T407-H442 PolarHBondContact O-CE1 3.48Å; T407-H442 PolarHBondContact O-NE2 3.23Å; I439-H442 HydrophobicContact CD1-CB 3.91Å; W440-H442 PolarHBondContact O-N 2.96Å; H442-I453 HydrophobicContact CB-CG2 3.86Å; H442-I453 WeakPolarHBondContact CD2-CG2 3.22Å; H442-S454 WeakPolarHBondContact CA-O 3.26Å; H442-S454 WeakPolarHBondContact CB-O 3.48Å; H442-G455 VanDerWaalsContact CB-O 3.25Å; H442-G455 WeakPolarHBondContact CB-O 3.17Å
443	A	97.5	Very high	96	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	147.7	170.1	0	0	0	0	0	111.2	H396 I453 S454 H490 M492	H396-A443 VanDerWaalsContact NE2-CA 3.33Å; H396-A443 WeakPolarHBondContact NE2-CA 3.25Å; A443-I453 CarbonylContact O-C 3.48Å; A443-I453 VanDerWaalsContact O-CA 3.23Å; A443-I453 WeakPolarHBondContact O-CA 3.39Å; A443-S454 PolarHBondContact N-O 2.86Å; A443-S454 PolarHBondContact O-N 2.86Å; A443-H490 VanDerWaalsContact CB-CD2 3.48Å; A443-H490 WeakPolarHBondContact CB-CD2 3.09Å; A443-H490 VanDerWaalsContact CB-NE2 3.26Å; A443-H490 WeakPolarHBondContact CB-NE2 3.2Å; A443-M492 HydrophobicContact CB-CB 3.41Å; A443-M492 VanDerWaalsContact CB-CB 3.41Å; A443-M492 WeakPolarHBondContact O-CE 3.37Å
444	G	96.9	Very high	95.9	Very high	4 Å²	4	37 Å²	37	4%	0.041	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	141.3	-175.9	0	0	0	0	0	113.4	H396 N398 Y452	H396-G444 VanDerWaalsContact CG-N 3.27Å; H396-G444 PolarHBondContact ND1-N 3.46Å; N398-G444 PolarHBondContact OD1-O 3.32Å; G444-Y452 CarbonylContact C-O 3.53Å; G444-Y452 VanDerWaalsContact CA-O 3.25Å; G444-Y452 WeakPolarHBondContact CA-O 3.45Å
445	T	97.8	Very high	95.8	Very high	10 Å²	10	34.4 Å²	34.4	6%	0.061	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	146.6	173	-160.5	0	0	0	0	111.9	N398 Y452 M492 S494 V499	N398-T445 WeakPolarHBondContact OD1-CA 2.99Å; T445-Y452 PolarHBondContact N-O 2.82Å; T445-Y452 PolarHBondContact O-N 2.82Å; T445-M492 HydrophobicContact CG2-CE 4.02Å; T445-M492 HydrophobicContact CG2-CG 3.84Å; T445-M492 HydrophobicContact CG2-SD 4.47Å; T445-S494 WeakPolarHBondContact CG2-OG 3.37Å; T445-S494 PolarHBondContact OG1-N 3.07Å; T445-V499 HydrophobicContact CG2-CB 4.44Å; T445-V499 HydrophobicContact CG2-CG1 3.67Å; T445-V499 HydrophobicContact CG2-CG2 4.14Å
446	P	97.4	Very high	95.8	Very high	38 Å²	38	34.1 Å²	34.1	25%	0.247	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	140.4	168.9	31.3	-34.2	0	0	0	111	N398 L400 K450 L451 S494	N398-P446 VanDerWaalsContact OD1-CD 3.3Å; N398-P446 WeakPolarHBondContact OD1-CD 3.29Å; L400-P446 HydrophobicContact CD1-CB 4.13Å; P446-K450 WeakPolarHBondContact CA-O 3.37Å; P446-L451 HydrophobicContact CB-CD2 3.86Å; P446-S494 WeakPolarHBondContact O-CB 3.28Å; P446-S494 PolarHBondContact O-OG 3.26Å
447	C	97	Very high	95.9	Very high	13 Å²	13	30.2 Å²	30.2	9%	0.088	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	121	169.3	-169.4	0	0	0	0	109	D449 K450 Y452 S494 V499	C447-D449 PolarHBondContact O-N 3.04Å; C447-K450 PolarHBondContact N-O 2.91Å; C447-K450 PolarHBondContact O-N 3.24Å; C447-Y452 HydrophobicContact CB-CD2 3.79Å; C447-Y452 HydrophobicContact CB-CE2 3.76Å; C447-S494 WeakPolarHBondContact CB-OG 3.11Å; C447-V499 HydrophobicContact CB-CG2 3.61Å
448	G	94.8	Very high	95.8	Very high	59 Å²	59	26.9 Å²	26.9	61%	0.608	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	-132.1	-165	0	0	0	0	0	111.4
449	D	95.6	Very high	95.3	Very high	111 Å²	111	26.6 Å²	26.6	59%	0.594	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.2	14.5	-179.7	-69.9	-49.9	0	0	0	114.2	C447 P472	C447-D449 PolarHBondContact O-N 3.04Å; D449-P472 WeakPolarHBondContact O-CD 3.22Å
450	K	97.7	Very high	94.7	Very high	65 Å²	65	29 Å²	29	28%	0.283	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	155.2	-174.9	-63.1	-178.8	-170.6	-81.5	0	111.8	P446 C447 Y452 C469 Y470 D471	P446-K450 WeakPolarHBondContact CA-O 3.37Å; C447-K450 PolarHBondContact N-O 2.91Å; C447-K450 PolarHBondContact O-N 3.24Å; K450-Y452 HydrophobicContact CB-CE2 3.9Å; K450-C469 VanDerWaalsContact CD-SG 3.58Å; K450-Y470 WeakPolarHBondContact CA-O 3.31Å; K450-Y470 WeakPolarHBondContact CB-O 3.33Å; K450-D471 VanDerWaalsContact NZ-CG 3.29Å; K450-D471 IonicContact NZ-OD2 2.68Å; K450-D471 PolarHBondContact NZ-OD2 2.87Å
451	L	98	Very high	94	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	141	170.2	-57.8	176.7	0	0	0	110.2	N398 L400 Y405 P446 C469 Y470	N398-L451 HydrophobicContact CB-CD2 3.75Å; L400-L451 HydrophobicContact CB-CD2 3.82Å; L400-L451 HydrophobicContact CB-CG 4.45Å; L400-L451 HydrophobicContact CD2-CD1 4.44Å; L400-L451 HydrophobicContact CD2-CD2 3.72Å; L400-L451 HydrophobicContact CD2-CG 3.61Å; L400-L451 HydrophobicContact CG-CD2 4.25Å; Y405-L451 HydrophobicContact CD1-CD1 4.16Å; Y405-L451 HydrophobicContact CD2-CD1 3.97Å; Y405-L451 HydrophobicContact CG-CD1 3.64Å; P446-L451 HydrophobicContact CB-CD2 3.86Å; L451-C469 CarbonylContact O-C 3.6Å; L451-C469 VanDerWaalsContact O-CA 3.29Å; L451-C469 WeakPolarHBondContact O-CA 3.37Å; L451-Y470 HydrophobicContact CB-CD1 4.49Å; L451-Y470 HydrophobicContact CD1-CD1 3.96Å; L451-Y470 HydrophobicContact CG-CD1 4.28Å; L451-Y470 PolarHBondContact N-O 3.43Å; L451-Y470 PolarHBondContact O-N 3.16Å
452	Y	98.3	Very high	93.4	Very high	12 Å²	12	37.7 Å²	37.7	5%	0.047	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	139.6	173	-67.5	-95.6	0	0	0	109.5	G444 T445 C447 K450 L467 H468 C469 M492 V499 Y521 P523	G444-Y452 CarbonylContact C-O 3.53Å; G444-Y452 VanDerWaalsContact CA-O 3.25Å; G444-Y452 WeakPolarHBondContact CA-O 3.45Å; T445-Y452 PolarHBondContact N-O 2.82Å; T445-Y452 PolarHBondContact O-N 2.82Å; C447-Y452 HydrophobicContact CB-CD2 3.79Å; C447-Y452 HydrophobicContact CB-CE2 3.76Å; K450-Y452 HydrophobicContact CB-CE2 3.9Å; Y452-L467 HydrophobicContact CD1-CD1 4.29Å; Y452-L467 HydrophobicContact CD1-CD2 4.3Å; Y452-L467 HydrophobicContact CD1-CG 4.41Å; Y452-H468 CarbonylContact C-O 3.5Å; Y452-H468 VanDerWaalsContact CA-O 3.28Å; Y452-H468 WeakPolarHBondContact CA-O 3.41Å; Y452-C469 HydrophobicContact CD1-CB 4.05Å; Y452-C469 HydrophobicContact CE1-CB 3.8Å; Y452-C469 VanDerWaalsContact CE1-SG 3.53Å; Y452-C469 VanDerWaalsContact CZ-SG 3.51Å; Y452-M492 VanDerWaalsContact C-CE 3.45Å; Y452-M492 WeakPolarHBondContact O-CE 3.04Å; Y452-V499 HydrophobicContact CD2-CG2 4.43Å; Y452-V499 HydrophobicContact CG-CG2 4.48Å; Y452-Y521 HydrophobicContact CD1-CE1 4.16Å; Y452-Y521 AromaticContact CE1-CE1 3.76Å; Y452-Y521 HydrophobicContact CE1-CE1 3.76Å; Y452-P523 HydrophobicContact CE2-CG 4.39Å; Y452-P523 WeakPolarHBondContact OH-CB 3.41Å
453	I	97.6	Very high	92.9	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	130.8	175.4	-66.1	-179.1	0	0	0	109.8	T407 L435 I439 H442 A443 L467 H468 W477	T407-I453 HydrophobicContact CG2-CD1 3.7Å; T407-I453 VanDerWaalsContact OG1-CD1 3.32Å; T407-I453 WeakPolarHBondContact OG1-CD1 3.46Å; L435-I453 HydrophobicContact CD2-CD1 4.24Å; I439-I453 HydrophobicContact CD1-CG2 3.79Å; H442-I453 HydrophobicContact CB-CG2 3.86Å; H442-I453 WeakPolarHBondContact CD2-CG2 3.22Å; A443-I453 CarbonylContact O-C 3.48Å; A443-I453 VanDerWaalsContact O-CA 3.23Å; A443-I453 WeakPolarHBondContact O-CA 3.39Å; I453-L467 WeakPolarHBondContact O-CA 3.29Å; I453-H468 HydrophobicContact CB-CB 4.42Å; I453-H468 PolarHBondContact N-O 2.79Å; I453-H468 PolarHBondContact O-N 2.87Å; I453-W477 HydrophobicContact CB-CZ3 4.44Å; I453-W477 HydrophobicContact CD1-CH2 3.45Å; I453-W477 VanDerWaalsContact CD1-CH2 3.45Å; I453-W477 HydrophobicContact CD1-CZ2 4.39Å; I453-W477 HydrophobicContact CD1-CZ3 3.97Å; I453-W477 HydrophobicContact CG1-CH2 4.08Å; I453-W477 HydrophobicContact CG1-CZ3 4.22Å
454	S	96.9	Very high	92.7	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.007	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	147	-178.9	68.1	0	0	0	0	113.5	H442 A443 T466 H490 M492 C501	H442-S454 WeakPolarHBondContact CA-O 3.26Å; H442-S454 WeakPolarHBondContact CB-O 3.48Å; A443-S454 PolarHBondContact N-O 2.86Å; A443-S454 PolarHBondContact O-N 2.86Å; S454-T466 VanDerWaalsContact CA-O 3.29Å; S454-T466 WeakPolarHBondContact CA-O 3.23Å; S454-H490 PolarHBondContact O-CE1 2.94Å; S454-H490 PolarHBondContact O-NE2 2.91Å; S454-H490 PolarHBondContact OG-NE2 3.11Å; S454-M492 PolarHBondContact OG-SD 2.87Å; S454-C501 PolarHBondContact OG-SG 3.45Å; S454-C501 VanDerWaalsContact OG-SG 3.38Å
455	G	95.6	Very high	92.5	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.01	25%	0.252	C	S	.	.			trans	60.7	-152.6	170.1	0	0	0	0	0	115.5	H442 D463 K464 T466	H442-G455 VanDerWaalsContact CB-O 3.25Å; H442-G455 WeakPolarHBondContact CB-O 3.17Å; G455-D463 CarbonylContact C-O 3.57Å; G455-D463 WeakPolarHBondContact CA-O 3.41Å; G455-K464 WeakPolarHBondContact CA-O 3.44Å; G455-T466 PolarHBondContact N-O 2.88Å
456	G	94.6	Very high	92.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.254	C	S	.	.			trans	96.5	176	-178.7	0	0	0	0	0	114.5	W440 G458 R487	W440-G456 CarbonylContact O-C 3.54Å; W440-G456 WeakPolarHBondContact O-CA 3.34Å; G456-G458 PolarHBondContact O-N 2.99Å; G456-R487 PolarHBondContact N-O 2.84Å
457	Y	92.2	Very high	92.4	Very high	36 Å²	36	40.9 Å²	40.9	14%	0.141	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-81.9	107.8	174.3	-76.3	-67.1	0	0	0	110.3	I439 W440 V488 R505 D507	I439-Y457 WeakPolarHBondContact CA-O 3.37Å; W440-Y457 AromaticContact CD2-CD2 3.88Å; W440-Y457 HydrophobicContact CD2-CD2 3.88Å; W440-Y457 HydrophobicContact CD2-CG 4.31Å; W440-Y457 AromaticContact CE2-CD2 3.56Å; W440-Y457 AromaticContact CE2-CG 3.71Å; W440-Y457 AromaticContact CE3-CD2 3.79Å; W440-Y457 HydrophobicContact CE3-CD2 3.79Å; W440-Y457 AromaticContact CH2-CD2 3.15Å; W440-Y457 HydrophobicContact CH2-CD2 3.15Å; W440-Y457 AromaticContact CH2-CE2 3.45Å; W440-Y457 HydrophobicContact CH2-CE2 3.45Å; W440-Y457 VanDerWaalsContact CH2-CE2 3.45Å; W440-Y457 AromaticContact CH2-CG 3.99Å; W440-Y457 HydrophobicContact CH2-CG 3.99Å; W440-Y457 HydrophobicContact CZ2-CD1 4.42Å; W440-Y457 AromaticContact CZ2-CD2 3.21Å; W440-Y457 HydrophobicContact CZ2-CD2 3.21Å; W440-Y457 AromaticContact CZ2-CE2 3.89Å; W440-Y457 HydrophobicContact CZ2-CE2 3.89Å; W440-Y457 AromaticContact CZ2-CG 3.55Å; W440-Y457 HydrophobicContact CZ2-CG 3.55Å; W440-Y457 AromaticContact CZ3-CD2 3.45Å; W440-Y457 HydrophobicContact CZ3-CD2 3.45Å; W440-Y457 VanDerWaalsContact CZ3-CD2 3.45Å; W440-Y457 AromaticContact CZ3-CE2 3.83Å; W440-Y457 HydrophobicContact CZ3-CE2 3.83Å; W440-Y457 PolarHBondContact N-O 2.8Å; W440-Y457 VanDerWaalsContact NE1-CB 3.27Å; W440-Y457 PolarHBondContact O-N 3.16Å; Y457-V488 HydrophobicContact CD1-CG2 4.47Å; Y457-V488 HydrophobicContact CD2-CB 4.33Å; Y457-V488 HydrophobicContact CD2-CG1 3.2Å; Y457-V488 HydrophobicContact CD2-CG2 4.42Å; Y457-V488 HydrophobicContact CE1-CG2 4.31Å; Y457-V488 HydrophobicContact CE2-CB 4.05Å; Y457-V488 HydrophobicContact CE2-CG1 3.21Å; Y457-V488 HydrophobicContact CE2-CG2 4.27Å; Y457-V488 HydrophobicContact CG-CG1 3.95Å; Y457-V488 HydrophobicContact CG-CG2 4.5Å; Y457-R505 PolarHBondContact OH-NH1 3.22Å; Y457-R505 VanDerWaalsContact OH-NH1 3.08Å; Y457-R505 PolarHBondContact OH-NH2 2.93Å; Y457-D507 WeakPolarHBondContact CE1-OD2 3.37Å; Y457-D507 VanDerWaalsContact OH-CG 3.27Å; Y457-D507 PolarHBondContact OH-OD1 3.26Å; Y457-D507 PolarHBondContact OH-OD2 2.96Å
458	G	86.4	Confident	92.4	Very high	29 Å²	29	40.4 Å²	40.4	30%	0.299	24%	0.239	S	C	.	.			trans	-107.6	-153.2	169.7	0	0	0	0	0	113.1	G456 D463	G456-G458 PolarHBondContact O-N 2.99Å; G458-D463 WeakPolarHBondContact CA-OD2 3.23Å
459	V	82.8	Confident	92.5	Very high	134 Å²	134	37.8 Å²	37.8	81%	0.812	21%	0.211	S	C	*	.	S	Bend	trans	-84.1	-34.3	178.9	-179.3	0	0	0	0	110.9	D463	V459-D463 PolarHBondContact N-OD2 2.88Å
460	S	83.1	Confident	92.6	Very high	53 Å²	53	32.6 Å²	32.6	37%	0.371	18%	0.183	S	C	.	.	S	Bend	trans	-109.4	158.1	178.8	-177.4	0	0	0	0	111.4	D462 D463	S460-D462 PolarHBondContact O-N 3.39Å; S460-D462 PolarHBondContact OG-N 2.84Å; S460-D462 PolarHBondContact OG-OD2 3.38Å; S460-D463 PolarHBondContact N-OD2 3.07Å; S460-D463 WeakPolarHBondContact O-CB 3.2Å; S460-D463 PolarHBondContact O-N 2.89Å
461	V	81.1	Confident	92.6	Very high	109 Å²	109	31.1 Å²	31.1	66%	0.661	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-61.3	-31	169.8	-179.5	0	0	0	0	111.1	D463 K464	V461-D463 PolarHBondContact O-N 2.94Å; V461-K464 WeakPolarHBondContact O-CB 3.28Å; V461-K464 WeakPolarHBondContact O-CG 3.05Å; V461-K464 PolarHBondContact O-N 2.89Å
462	D	83.6	Confident	92.5	Very high	114 Å²	114	32.1 Å²	32.1	61%	0.61	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-65.8	-23.1	179.7	-61	-38.5	0	0	0	113.2	S460 K464 K465	S460-D462 PolarHBondContact O-N 3.39Å; S460-D462 PolarHBondContact OG-N 2.84Å; S460-D462 PolarHBondContact OG-OD2 3.38Å; D462-K464 PolarHBondContact O-N 2.94Å; D462-K464 VanDerWaalsContact O-N 3.12Å; D462-K465 PolarHBondContact O-N 2.78Å; D462-K465 VanDerWaalsContact O-N 3.07Å
463	D	86.6	Confident	92.4	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-61.3	-22.6	178.2	-67.6	-37.9	0	0	0	112.1	R437 G455 G458 V459 S460 V461 K465 T466	R437-D463 WeakPolarHBondContact CD-OD1 3.33Å; R437-D463 IonicContact CZ-OD1 2.76Å; R437-D463 IonicContact NE-OD1 2.91Å; R437-D463 IonicContact NH1-OD1 3.84Å; R437-D463 PolarHBondContact NH1-OD1 2.88Å; G455-D463 CarbonylContact C-O 3.57Å; G455-D463 WeakPolarHBondContact CA-O 3.41Å; G458-D463 WeakPolarHBondContact CA-OD2 3.23Å; V459-D463 PolarHBondContact N-OD2 2.88Å; S460-D463 PolarHBondContact N-OD2 3.07Å; S460-D463 WeakPolarHBondContact O-CB 3.2Å; S460-D463 PolarHBondContact O-N 2.89Å; V461-D463 PolarHBondContact O-N 2.94Å; D463-K465 PolarHBondContact O-N 3.19Å; D463-T466 PolarHBondContact O-N 2.79Å; D463-T466 PolarHBondContact O-OG1 2.68Å
464	K	92.1	Very high	92.3	Very high	23 Å²	23	40.3 Å²	40.3	10%	0.1	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-68	-14.5	177.8	-58.7	-177.5	-173.7	-175.3	0	113.3	G455 V461 D462 M483 P486 R487 V488 D507	G455-K464 WeakPolarHBondContact CA-O 3.44Å; V461-K464 WeakPolarHBondContact O-CB 3.28Å; V461-K464 WeakPolarHBondContact O-CG 3.05Å; V461-K464 PolarHBondContact O-N 2.89Å; D462-K464 PolarHBondContact O-N 2.94Å; D462-K464 VanDerWaalsContact O-N 3.12Å; K464-M483 VanDerWaalsContact O-CE 3.28Å; K464-M483 WeakPolarHBondContact O-CE 3.34Å; K464-P486 HydrophobicContact CB-CB 3.61Å; K464-P486 WeakPolarHBondContact O-CA 3.39Å; K464-R487 PolarHBondContact O-N 3.25Å; K464-V488 HydrophobicContact CD-CG2 3.96Å; K464-V488 HydrophobicContact CG-CG2 3.93Å; K464-D507 IonicContact NZ-OD2 2.74Å; K464-D507 PolarHBondContact NZ-OD2 3.47Å
465	K	94.4	Very high	92.3	Very high	79 Å²	79	43 Å²	43	34%	0.343	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-15.7	178.1	-62.7	-168.8	176.3	-154.4	0	113.9	D462 D463 P482 M483 N484 P486	D462-K465 PolarHBondContact O-N 2.78Å; D462-K465 VanDerWaalsContact O-N 3.07Å; D463-K465 PolarHBondContact O-N 3.19Å; K465-P482 HydrophobicContact CB-CB 4.03Å; K465-P482 CarbonylContact O-C 3.59Å; K465-P482 VanDerWaalsContact O-CA 3.23Å; K465-P482 WeakPolarHBondContact O-CA 3.47Å; K465-P482 WeakPolarHBondContact O-CB 3.46Å; K465-M483 PolarHBondContact O-N 3.26Å; K465-N484 WeakPolarHBondContact CE-O 3.43Å; K465-N484 PolarHBondContact NZ-O 2.8Å; K465-P486 HydrophobicContact CG-CB 3.77Å
466	T	95.4	Very high	92.4	Very high	18 Å²	18	46.9 Å²	46.9	11%	0.11	27%	0.271	C	S	.	.			trans	-64.1	142.6	-170.2	50.6	0	0	0	0	111.7	S454 G455 D463	S454-T466 VanDerWaalsContact CA-O 3.29Å; S454-T466 WeakPolarHBondContact CA-O 3.23Å; G455-T466 PolarHBondContact N-O 2.88Å; D463-T466 PolarHBondContact O-N 2.79Å; D463-T466 PolarHBondContact O-OG1 2.68Å
467	L	97	Very high	92.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.1	168.3	-179	67.5	0	0	0	108.6	Y452 I453 K480 S481 Y521 W528	Y452-L467 HydrophobicContact CD1-CD1 4.29Å; Y452-L467 HydrophobicContact CD1-CD2 4.3Å; Y452-L467 HydrophobicContact CD1-CG 4.41Å; I453-L467 WeakPolarHBondContact O-CA 3.29Å; L467-K480 HydrophobicContact CB-CB 4.1Å; L467-K480 HydrophobicContact CD2-CB 3.64Å; L467-K480 HydrophobicContact CD2-CG 4.37Å; L467-K480 HydrophobicContact CG-CB 3.88Å; L467-K480 PolarHBondContact O-N 3.4Å; L467-S481 WeakPolarHBondContact CB-O 3.39Å; L467-Y521 HydrophobicContact CD2-CD1 3.76Å; L467-Y521 HydrophobicContact CD2-CD2 3.78Å; L467-Y521 HydrophobicContact CD2-CE1 3.66Å; L467-Y521 HydrophobicContact CD2-CE2 3.67Å; L467-Y521 HydrophobicContact CD2-CG 3.81Å; L467-W528 HydrophobicContact CB-CZ2 4.33Å; L467-W528 HydrophobicContact CD1-CZ2 4.21Å; L467-W528 HydrophobicContact CD2-CZ2 3.77Å; L467-W528 HydrophobicContact CG-CZ2 4.32Å
468	H	96.2	Very high	92.8	Very high	3 Å²	3	49.2 Å²	49.2	1%	0.014	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	141.1	176.4	-72.6	-84.1	0	0	0	110	Y452 I453 W477 D478 F479	Y452-H468 CarbonylContact C-O 3.5Å; Y452-H468 VanDerWaalsContact CA-O 3.28Å; Y452-H468 WeakPolarHBondContact CA-O 3.41Å; I453-H468 HydrophobicContact CB-CB 4.42Å; I453-H468 PolarHBondContact N-O 2.79Å; I453-H468 PolarHBondContact O-N 2.87Å; H468-W477 HydrophobicContact CB-CE3 3.74Å; H468-W477 HydrophobicContact CB-CZ3 3.9Å; H468-D478 WeakPolarHBondContact CA-O 3.38Å; H468-F479 AromaticContact CE1-CD1 3.64Å; H468-F479 AromaticContact CE1-CE1 3.04Å; H468-F479 WeakPolarHBondContact CE1-CE1 3.39Å; H468-F479 AromaticContact CE1-CZ 3.45Å; H468-F479 VanDerWaalsContact CE1-CZ 3.45Å; H468-F479 WeakPolarHBondContact CE1-CZ 3.33Å; H468-F479 AromaticContact ND1-CD1 3.95Å; H468-F479 AromaticContact ND1-CE1 3.79Å; H468-F479 AromaticContact NE2-CE1 3.61Å
469	C	97.6	Very high	93.2	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.02	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.4	176.7	-177.8	0	0	0	0	109.4	K450 L451 Y452 W477 D478 K480	K450-C469 VanDerWaalsContact CD-SG 3.58Å; L451-C469 CarbonylContact O-C 3.6Å; L451-C469 VanDerWaalsContact O-CA 3.29Å; L451-C469 WeakPolarHBondContact O-CA 3.37Å; Y452-C469 HydrophobicContact CD1-CB 4.05Å; Y452-C469 HydrophobicContact CE1-CB 3.8Å; Y452-C469 VanDerWaalsContact CE1-SG 3.53Å; Y452-C469 VanDerWaalsContact CZ-SG 3.51Å; C469-W477 CarbonylContact O-C 3.59Å; C469-W477 WeakPolarHBondContact O-CA 3.48Å; C469-D478 PolarHBondContact N-O 3.04Å; C469-D478 PolarHBondContact O-N 2.96Å; C469-K480 HydrophobicContact CB-CD 4.45Å; C469-K480 HydrophobicContact CB-CG 3.78Å
470	Y	98.3	Very high	93.9	Very high	3 Å²	3	49.2 Å²	49.2	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	129.7	176.8	175.2	-107.8	0	0	0	110.9	Y405 E433 K450 L451 P472 D475 Q476 W477	Y405-Y470 HydrophobicContact CD1-CE1 4.1Å; Y405-Y470 AromaticContact CE1-CE1 3.69Å; Y405-Y470 HydrophobicContact CE1-CE1 3.69Å; E433-Y470 HydrophobicContact CB-CE2 4.34Å; K450-Y470 WeakPolarHBondContact CA-O 3.31Å; K450-Y470 WeakPolarHBondContact CB-O 3.33Å; L451-Y470 HydrophobicContact CB-CD1 4.49Å; L451-Y470 HydrophobicContact CD1-CD1 3.96Å; L451-Y470 HydrophobicContact CG-CD1 4.28Å; L451-Y470 PolarHBondContact N-O 3.43Å; L451-Y470 PolarHBondContact O-N 3.16Å; Y470-P472 HydrophobicContact CD1-CB 4.49Å; Y470-P472 HydrophobicContact CE1-CB 3.83Å; Y470-D475 WeakPolarHBondContact CE2-OD1 3.49Å; Y470-D475 PolarHBondContact OH-OD1 2.68Å; Y470-Q476 WeakPolarHBondContact CA-O 3.41Å; Y470-Q476 WeakPolarHBondContact CD2-O 3.36Å; Y470-W477 VanDerWaalsContact CB-CH2 3.47Å; Y470-W477 VanDerWaalsContact CB-CZ3 3.47Å; Y470-W477 AromaticContact CD2-CD1 3.87Å; Y470-W477 AromaticContact CD2-CD2 3.95Å; Y470-W477 HydrophobicContact CD2-CD2 3.95Å; Y470-W477 AromaticContact CD2-CE2 3.55Å; Y470-W477 HydrophobicContact CD2-CG 4.14Å; Y470-W477 AromaticContact CD2-CZ2 3.96Å; Y470-W477 HydrophobicContact CD2-CZ2 3.96Å; Y470-W477 AromaticContact CD2-NE1 3.49Å; Y470-W477 HydrophobicContact CG-CD2 4.24Å; Y470-W477 AromaticContact CG-CE2 3.87Å; Y470-W477 HydrophobicContact CG-CH2 4.2Å; Y470-W477 AromaticContact CG-CZ2 3.85Å; Y470-W477 HydrophobicContact CG-CZ2 3.85Å
471	D	97.2	Very high	94.6	Very high	33 Å²	33	48.7 Å²	48.7	18%	0.176	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	111.8	169.9	-172	-23.3	0	0	0	109.7	K450 T473 S474 D475 Q476	K450-D471 VanDerWaalsContact NZ-CG 3.29Å; K450-D471 IonicContact NZ-OD2 2.68Å; K450-D471 PolarHBondContact NZ-OD2 2.87Å; D471-T473 PolarHBondContact O-N 2.73Å; D471-T473 WeakPolarHBondContact OD1-CA 3.15Å; D471-T473 WeakPolarHBondContact OD1-CB 3.48Å; D471-T473 PolarHBondContact OD1-N 3.01Å; D471-T473 PolarHBondContact OD1-OG1 3.25Å; D471-T473 VanDerWaalsContact OD1-OG1 3.1Å; D471-S474 WeakPolarHBondContact CB-OG 3.36Å; D471-S474 PolarHBondContact O-N 2.91Å; D471-D475 WeakPolarHBondContact O-CA 3.39Å; D471-D475 PolarHBondContact O-N 3.28Å; D471-Q476 PolarHBondContact N-O 2.8Å; D471-Q476 VanDerWaalsContact N-O 3.07Å; D471-Q476 PolarHBondContact O-N 3.23Å
472	P	95.8	Very high	95.4	Very high	22 Å²	22	47.1 Å²	47.1	14%	0.143	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.1	178.9	30.6	-38	0	0	0	113.6	L400 D449 Y470	L400-P472 HydrophobicContact CD2-CB 4.47Å; L400-P472 HydrophobicContact CD2-CG 3.77Å; D449-P472 WeakPolarHBondContact O-CD 3.22Å; Y470-P472 HydrophobicContact CD1-CB 4.49Å; Y470-P472 HydrophobicContact CE1-CB 3.83Å
473	T	95.8	Very high	96	Very high	117 Å²	117	41.9 Å²	41.9	72%	0.718	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-42.4	-178.8	-44.6	0	0	0	0	111.3	D471	D471-T473 PolarHBondContact O-N 2.73Å; D471-T473 WeakPolarHBondContact OD1-CA 3.15Å; D471-T473 WeakPolarHBondContact OD1-CB 3.48Å; D471-T473 PolarHBondContact OD1-N 3.01Å; D471-T473 PolarHBondContact OD1-OG1 3.25Å; D471-T473 VanDerWaalsContact OD1-OG1 3.1Å
474	S	96.5	Very high	96.4	Very high	67 Å²	67	45.5 Å²	45.5	47%	0.469	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-10.5	176.9	59.1	0	0	0	0	113.3	D471 Q476	D471-S474 WeakPolarHBondContact CB-OG 3.36Å; D471-S474 PolarHBondContact O-N 2.91Å; S474-Q476 WeakPolarHBondContact O-CG 3.4Å
475	D	97.2	Very high	96.3	Very high	59 Å²	59	48.5 Å²	48.5	32%	0.316	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	54.8	-173.2	-168.2	21.2	0	0	0	111.2	E433 Y470 D471	E433-D475 VanDerWaalsContact CB-O 3.26Å; E433-D475 WeakPolarHBondContact CB-O 3.46Å; E433-D475 WeakPolarHBondContact CB-OD1 3.38Å; E433-D475 PolarHBondContact N-OD1 2.86Å; Y470-D475 WeakPolarHBondContact CE2-OD1 3.49Å; Y470-D475 PolarHBondContact OH-OD1 2.68Å; D471-D475 WeakPolarHBondContact O-CA 3.39Å; D471-D475 PolarHBondContact O-N 3.28Å
476	Q	97.4	Very high	96.3	Very high	81 Å²	81	45.6 Å²	45.6	38%	0.379	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	149.1	-175.8	-70.9	-61.6	-58.7	0	0	112.4	Y470 D471 S474	Y470-Q476 WeakPolarHBondContact CA-O 3.41Å; Y470-Q476 WeakPolarHBondContact CD2-O 3.36Å; D471-Q476 PolarHBondContact N-O 2.8Å; D471-Q476 VanDerWaalsContact N-O 3.07Å; D471-Q476 PolarHBondContact O-N 3.23Å; S474-Q476 WeakPolarHBondContact O-CG 3.4Å
477	W	97.5	Very high	96.2	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.9	174	-70.7	93.4	0	0	0	112.2	T407 V419 E433 L435 K436 I453 H468 C469 Y470	T407-W477 HydrophobicContact CG2-CH2 4.41Å; T407-W477 HydrophobicContact CG2-CZ2 4.42Å; V419-W477 HydrophobicContact CG2-CZ2 3.95Å; E433-W477 PolarHBondContact O-NE1 2.96Å; L435-W477 HydrophobicContact CD2-CD2 3.81Å; L435-W477 HydrophobicContact CD2-CE3 3.9Å; L435-W477 HydrophobicContact CD2-CH2 3.69Å; L435-W477 HydrophobicContact CD2-CZ2 3.6Å; L435-W477 HydrophobicContact CD2-CZ3 3.82Å; L435-W477 HydrophobicContact CG-CZ2 4.3Å; K436-W477 VanDerWaalsContact CE-O 3.24Å; K436-W477 WeakPolarHBondContact CE-O 3.28Å; K436-W477 PolarHBondContact NZ-O 3.17Å; I453-W477 HydrophobicContact CB-CZ3 4.44Å; I453-W477 HydrophobicContact CD1-CH2 3.45Å; I453-W477 VanDerWaalsContact CD1-CH2 3.45Å; I453-W477 HydrophobicContact CD1-CZ2 4.39Å; I453-W477 HydrophobicContact CD1-CZ3 3.97Å; I453-W477 HydrophobicContact CG1-CH2 4.08Å; I453-W477 HydrophobicContact CG1-CZ3 4.22Å; H468-W477 HydrophobicContact CB-CE3 3.74Å; H468-W477 HydrophobicContact CB-CZ3 3.9Å; C469-W477 CarbonylContact O-C 3.59Å; C469-W477 WeakPolarHBondContact O-CA 3.48Å; Y470-W477 VanDerWaalsContact CB-CH2 3.47Å; Y470-W477 VanDerWaalsContact CB-CZ3 3.47Å; Y470-W477 AromaticContact CD2-CD1 3.87Å; Y470-W477 AromaticContact CD2-CD2 3.95Å; Y470-W477 HydrophobicContact CD2-CD2 3.95Å; Y470-W477 AromaticContact CD2-CE2 3.55Å; Y470-W477 HydrophobicContact CD2-CG 4.14Å; Y470-W477 AromaticContact CD2-CZ2 3.96Å; Y470-W477 HydrophobicContact CD2-CZ2 3.96Å; Y470-W477 AromaticContact CD2-NE1 3.49Å; Y470-W477 HydrophobicContact CG-CD2 4.24Å; Y470-W477 AromaticContact CG-CE2 3.87Å; Y470-W477 HydrophobicContact CG-CH2 4.2Å; Y470-W477 AromaticContact CG-CZ2 3.85Å; Y470-W477 HydrophobicContact CG-CZ2 3.85Å
478	D	96.4	Very high	96.1	Very high	84 Å²	84	44.7 Å²	44.7	45%	0.449	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	152.1	173.6	-68.8	-41.4	0	0	0	111.9	H468 C469	H468-D478 WeakPolarHBondContact CA-O 3.38Å; C469-D478 PolarHBondContact N-O 3.04Å; C469-D478 PolarHBondContact O-N 2.96Å
479	F	96.1	Very high	96.1	Very high	97 Å²	97	45.3 Å²	45.3	43%	0.425	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	141.1	168.1	-71.2	-85.6	0	0	0	110.1	K436 H468	K436-F479 HydrophobicContact CD-CE2 4.12Å; H468-F479 AromaticContact CE1-CD1 3.64Å; H468-F479 AromaticContact CE1-CE1 3.04Å; H468-F479 WeakPolarHBondContact CE1-CE1 3.39Å; H468-F479 AromaticContact CE1-CZ 3.45Å; H468-F479 VanDerWaalsContact CE1-CZ 3.45Å; H468-F479 WeakPolarHBondContact CE1-CZ 3.33Å; H468-F479 AromaticContact ND1-CD1 3.95Å; H468-F479 AromaticContact ND1-CE1 3.79Å; H468-F479 AromaticContact NE2-CE1 3.61Å
480	K	97.3	Very high	96	Very high	67 Å²	67	45.7 Å²	45.7	29%	0.291	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	174.5	174.5	-65.4	-58.3	-176.6	-178.8	0	110.4	L467 C469 D526	L467-K480 HydrophobicContact CB-CB 4.1Å; L467-K480 HydrophobicContact CD2-CB 3.64Å; L467-K480 HydrophobicContact CD2-CG 4.37Å; L467-K480 HydrophobicContact CG-CB 3.88Å; L467-K480 PolarHBondContact O-N 3.4Å; C469-K480 HydrophobicContact CB-CD 4.45Å; C469-K480 HydrophobicContact CB-CG 3.78Å; K480-D526 WeakPolarHBondContact CB-OD1 3.31Å
481	S	97.6	Very high	96	Very high	41 Å²	41	46.1 Å²	46.1	29%	0.287	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-51.5	128.5	175.1	-74.5	0	0	0	0	110.8	L467 D526 W528	L467-S481 WeakPolarHBondContact CB-O 3.39Å; S481-D526 WeakPolarHBondContact CB-O 3.49Å; S481-D526 WeakPolarHBondContact CB-OD1 3.31Å; S481-D526 PolarHBondContact N-OD1 2.95Å; S481-D526 PolarHBondContact N-OD2 3.11Å; S481-D526 VanDerWaalsContact OG-CG 3.31Å; S481-D526 PolarHBondContact OG-O 3Å; S481-D526 PolarHBondContact OG-OD1 3.49Å; S481-D526 PolarHBondContact OG-OD2 2.99Å; S481-W528 PolarHBondContact O-NE1 2.78Å
482	P	97.1	Very high	96	Very high	76 Å²	76	45 Å²	45	49%	0.494	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-70.7	154.9	-179.5	30.1	-35.1	0	0	0	111.4	K465 W528	K465-P482 HydrophobicContact CB-CB 4.03Å; K465-P482 CarbonylContact O-C 3.59Å; K465-P482 VanDerWaalsContact O-CA 3.23Å; K465-P482 WeakPolarHBondContact O-CA 3.47Å; K465-P482 WeakPolarHBondContact O-CB 3.46Å; P482-W528 PolarHBondContact O-NE1 3.09Å
483	M	96.6	Very high	96.1	Very high	4 Å²	4	45 Å²	45	2%	0.02	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-58.2	154.9	171.2	-68.8	-178.7	-61.4	0	0	111.3	K464 K465 E485 R487 C501 W528	K464-M483 VanDerWaalsContact O-CE 3.28Å; K464-M483 WeakPolarHBondContact O-CE 3.34Å; K465-M483 PolarHBondContact O-N 3.26Å; M483-E485 WeakPolarHBondContact CB-O 3.29Å; M483-R487 HydrophobicContact CE-CB 4.12Å; M483-R487 HydrophobicContact CE-CG 4.29Å; M483-R487 HydrophobicContact SD-CG 4.46Å; M483-C501 HydrophobicContact SD-CB 4.05Å; M483-W528 HydrophobicContact CB-CZ2 4.38Å; M483-W528 HydrophobicContact CG-CD2 4.32Å; M483-W528 HydrophobicContact CG-CE3 4.43Å; M483-W528 HydrophobicContact CG-CH2 3.5Å; M483-W528 VanDerWaalsContact CG-CH2 3.5Å; M483-W528 HydrophobicContact CG-CZ2 3.31Å; M483-W528 HydrophobicContact CG-CZ3 4.07Å; M483-W528 HydrophobicContact SD-CH2 4.15Å; M483-W528 HydrophobicContact SD-CZ2 4.45Å
484	N	94.5	Very high	96.2	Very high	78 Å²	78	40.5 Å²	40.5	42%	0.417	22%	0.22	S	C	.	.	S	Bend	trans	-69.5	-46.3	174	-62.1	-69.5	0	0	0	110.6	K465 E519 W528	K465-N484 WeakPolarHBondContact CE-O 3.43Å; K465-N484 PolarHBondContact NZ-O 2.8Å; N484-E519 WeakPolarHBondContact CB-OE2 3.47Å; N484-E519 PolarHBondContact N-OE2 2.9Å; N484-E519 PolarHBondContact ND2-OE2 2.96Å; N484-W528 WeakPolarHBondContact ND2-CB 3.23Å
485	E	91.3	Very high	96.2	Very high	85 Å²	85	37.6 Å²	37.6	40%	0.397	20%	0.2	S	C	.	.	S	Bend	trans	-102.6	136.3	-179.4	-65.2	-59.3	156.5	0	0	111.7	M483 V515 A517 E519	M483-E485 WeakPolarHBondContact CB-O 3.29Å; E485-V515 HydrophobicContact CB-CG1 4.31Å; E485-A517 HydrophobicContact CG-CB 3.96Å; E485-E519 PolarHBondContact N-OE1 3.48Å
486	P	92.9	Very high	95.9	Very high	18 Å²	18	40.5 Å²	40.5	12%	0.117	21%	0.209	C	C	.	.			trans	-73.9	134.5	174.8	30.9	-29.4	0	0	0	110.6	K464 K465 M506	K464-P486 HydrophobicContact CB-CB 3.61Å; K464-P486 WeakPolarHBondContact O-CA 3.39Å; K465-P486 HydrophobicContact CG-CB 3.77Å; P486-M506 HydrophobicContact CG-CG 4.02Å; P486-M506 HydrophobicContact CG-SD 3.6Å
487	R	93.9	Very high	95.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.222	C	C	.	.			trans	-136.3	144.5	-174.3	-58.7	174	-169.8	-99	-0.5	112.5	G456 K464 M483 H490 G503 V515 A517 E519	G456-R487 PolarHBondContact N-O 2.84Å; K464-R487 PolarHBondContact O-N 3.25Å; M483-R487 HydrophobicContact CE-CB 4.12Å; M483-R487 HydrophobicContact CE-CG 4.29Å; M483-R487 HydrophobicContact SD-CG 4.46Å; R487-H490 HydrophobicContact CB-CB 3.99Å; R487-H490 WeakPolarHBondContact CB-ND1 3.22Å; R487-G503 PolarHBondContact NH1-O 2.8Å; R487-V515 HydrophobicContact CG-CG1 4.32Å; R487-A517 VanDerWaalsContact CZ-O 3.23Å; R487-A517 PolarHBondContact NH1-O 2.89Å; R487-A517 PolarHBondContact NH2-O 3.21Å; R487-E519 IonicContact CZ-OE1 2.64Å; R487-E519 IonicContact NE-OE1 2.87Å; R487-E519 PolarHBondContact NE-OE1 2.76Å; R487-E519 IonicContact NH2-OE1 3.68Å; R487-E519 PolarHBondContact NH2-OE1 2.97Å
488	V	94.8	Very high	95.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-139.7	146.8	167	-167.1	0	0	0	0	109.1	Y457 K464 H490 G504 R505	Y457-V488 HydrophobicContact CD1-CG2 4.47Å; Y457-V488 HydrophobicContact CD2-CB 4.33Å; Y457-V488 HydrophobicContact CD2-CG1 3.2Å; Y457-V488 HydrophobicContact CD2-CG2 4.42Å; Y457-V488 HydrophobicContact CE1-CG2 4.31Å; Y457-V488 HydrophobicContact CE2-CB 4.05Å; Y457-V488 HydrophobicContact CE2-CG1 3.21Å; Y457-V488 HydrophobicContact CE2-CG2 4.27Å; Y457-V488 HydrophobicContact CG-CG1 3.95Å; Y457-V488 HydrophobicContact CG-CG2 4.5Å; K464-V488 HydrophobicContact CD-CG2 3.96Å; K464-V488 HydrophobicContact CG-CG2 3.93Å; V488-H490 PolarHBondContact O-N 2.91Å; V488-G504 CarbonylContact O-C 3.44Å; V488-G504 VanDerWaalsContact O-CA 3.27Å; V488-G504 WeakPolarHBondContact O-CA 3.3Å; V488-R505 PolarHBondContact N-O 2.64Å; V488-R505 PolarHBondContact O-N 3.17Å
489	L	95.6	Very high	95.8	Very high	15 Å²	15	42.7 Å²	42.7	8%	0.079	22%	0.217	C	C	.	.	S	Bend	trans	56.5	29.2	-177.8	-52.7	171	0	0	0	112.4	Q394 G441 S539 E540	Q394-L489 HydrophobicContact CB-CD2 4.49Å; Q394-L489 HydrophobicContact CG-CD2 4.1Å; G441-L489 PolarHBondContact O-N 2.84Å; L489-S539 WeakPolarHBondContact O-CA 3.33Å; L489-E540 HydrophobicContact CB-CG 3.75Å; L489-E540 HydrophobicContact CD1-CG 3.74Å; L489-E540 HydrophobicContact CD2-CG 4.14Å; L489-E540 HydrophobicContact CG-CG 4.06Å; L489-E540 PolarHBondContact O-N 3.17Å
490	H	97.4	Very high	95.9	Very high	11 Å²	11	38.2 Å²	38.2	5%	0.051	20%	0.197	C	C	.	.			trans	-86.6	171.3	176.1	63.2	-69.5	0	0	0	111.3	A443 S454 R487 V488 L502 G503	A443-H490 VanDerWaalsContact CB-CD2 3.48Å; A443-H490 WeakPolarHBondContact CB-CD2 3.09Å; A443-H490 VanDerWaalsContact CB-NE2 3.26Å; A443-H490 WeakPolarHBondContact CB-NE2 3.2Å; S454-H490 PolarHBondContact O-CE1 2.94Å; S454-H490 PolarHBondContact O-NE2 2.91Å; S454-H490 PolarHBondContact OG-NE2 3.11Å; R487-H490 HydrophobicContact CB-CB 3.99Å; R487-H490 WeakPolarHBondContact CB-ND1 3.22Å; V488-H490 PolarHBondContact O-N 2.91Å; H490-L502 WeakPolarHBondContact CB-O 3.17Å; H490-G503 VanDerWaalsContact CB-O 3.23Å; H490-G503 WeakPolarHBondContact CB-O 3.22Å
491	A	97.6	Very high	95.9	Very high	12 Å²	12	35 Å²	35	10%	0.099	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	146.2	172	0	0	0	0	0	110.6	C501 L502 C543 I552	A491-C501 WeakPolarHBondContact O-CA 3.39Å; A491-L502 PolarHBondContact N-O 3.22Å; A491-L502 PolarHBondContact O-N 3.17Å; A491-C543 HydrophobicContact CB-CB 3.54Å; A491-I552 HydrophobicContact CB-CD1 3.92Å
492	M	97.8	Very high	95.9	Very high	10 Å²	10	33.1 Å²	33.1	5%	0.049	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	135.3	169.7	-173.1	167.5	74.1	0	0	110.6	A443 T445 Y452 S454 V499 Y500 C501	A443-M492 HydrophobicContact CB-CB 3.41Å; A443-M492 VanDerWaalsContact CB-CB 3.41Å; A443-M492 WeakPolarHBondContact O-CE 3.37Å; T445-M492 HydrophobicContact CG2-CE 4.02Å; T445-M492 HydrophobicContact CG2-CG 3.84Å; T445-M492 HydrophobicContact CG2-SD 4.47Å; Y452-M492 VanDerWaalsContact C-CE 3.45Å; Y452-M492 WeakPolarHBondContact O-CE 3.04Å; S454-M492 PolarHBondContact OG-SD 2.87Å; M492-V499 HydrophobicContact CE-CG1 4.26Å; M492-V499 HydrophobicContact CG-CG1 3.44Å; M492-V499 VanDerWaalsContact CG-CG1 3.44Å; M492-V499 HydrophobicContact SD-CG1 3.36Å; M492-V499 WeakPolarHBondContact SD-CG1 3.06Å; M492-Y500 CarbonylContact C-O 3.49Å; M492-Y500 WeakPolarHBondContact CA-O 3.26Å; M492-Y500 WeakPolarHBondContact CG-O 3.3Å; M492-C501 PolarHBondContact SD-SG 2.78Å
493	I	97.8	Very high	95.9	Very high	21 Å²	21	29.6 Å²	29.6	11%	0.108	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	141.3	-177.6	-165.8	157.9	0	0	0	112.6	Y500 L502 C544 L545 I550	I493-Y500 PolarHBondContact N-O 2.95Å; I493-Y500 PolarHBondContact O-N 2.91Å; I493-L502 HydrophobicContact CG2-CD1 4.36Å; I493-C544 VanDerWaalsContact CD1-CA 3.48Å; I493-L545 HydrophobicContact CD1-CB 3.6Å; I493-L545 HydrophobicContact CG1-CB 4.18Å; I493-I550 HydrophobicContact CG2-CD1 3.64Å; I493-I550 HydrophobicContact CG2-CG1 3.88Å; I493-I550 HydrophobicContact CG2-CG2 3.95Å
494	S	97.3	Very high	95.8	Very high	24 Å²	24	29.4 Å²	29.4	17%	0.168	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	135.3	175.4	-64.4	0	0	0	0	112.7	T445 P446 C447 R498 L545	T445-S494 WeakPolarHBondContact CG2-OG 3.37Å; T445-S494 PolarHBondContact OG1-N 3.07Å; P446-S494 WeakPolarHBondContact O-CB 3.28Å; P446-S494 PolarHBondContact O-OG 3.26Å; C447-S494 WeakPolarHBondContact CB-OG 3.11Å; S494-R498 CarbonylContact C-O 3.56Å; S494-R498 VanDerWaalsContact CA-O 3.23Å; S494-R498 WeakPolarHBondContact CA-O 3.45Å; S494-L545 WeakPolarHBondContact O-CD2 3.25Å
495	A	96.5	Very high	95.8	Very high	5 Å²	5	27.1 Å²	27.1	4%	0.041	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	124.7	171	0	0	0	0	0	110.3	D497 R498 Y500 L545 T572	A495-D497 PolarHBondContact O-N 2.89Å; A495-R498 PolarHBondContact N-O 2.8Å; A495-R498 WeakPolarHBondContact O-CB 3.39Å; A495-R498 PolarHBondContact O-N 3.47Å; A495-R498 VanDerWaalsContact O-N 3.1Å; A495-Y500 HydrophobicContact CB-CD2 4.14Å; A495-Y500 HydrophobicContact CB-CE2 3.93Å; A495-L545 HydrophobicContact CB-CD1 3.82Å; A495-L545 HydrophobicContact CB-CD2 3.86Å; A495-T572 HydrophobicContact CB-CG2 4.09Å
496	K	91.2	Very high	95.7	Very high	120 Å²	120	25.8 Å²	25.8	52%	0.522	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	57.1	-178.8	-62	-176.3	178.3	-177.6	0	113.2	R498 E573	K496-R498 PolarHBondContact O-N 2.99Å; K496-E573 IonicContact NZ-OE1 2.78Å; K496-E573 PolarHBondContact NZ-OE1 3.07Å
497	D	93	Very high	95.3	Very high	120 Å²	120	27.2 Å²	27.2	64%	0.642	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	14	178.8	-48.9	-51.5	0	0	0	115.5	A495 P523	A495-D497 PolarHBondContact O-N 2.89Å; D497-P523 WeakPolarHBondContact O-CD 3.47Å
498	R	97.1	Very high	94.4	Very high	92 Å²	92	33 Å²	33	35%	0.347	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	142.5	174.8	-60.6	169.5	-175.5	178.6	-0.9	110	S494 A495 K496 Y500 Y520 Y521 I522	S494-R498 CarbonylContact C-O 3.56Å; S494-R498 VanDerWaalsContact CA-O 3.23Å; S494-R498 WeakPolarHBondContact CA-O 3.45Å; A495-R498 PolarHBondContact N-O 2.8Å; A495-R498 WeakPolarHBondContact O-CB 3.39Å; A495-R498 PolarHBondContact O-N 3.47Å; A495-R498 VanDerWaalsContact O-N 3.1Å; K496-R498 PolarHBondContact O-N 2.99Å; R498-Y500 HydrophobicContact CB-CD2 4.25Å; R498-Y500 HydrophobicContact CB-CE2 3.72Å; R498-Y520 HydrophobicContact CB-CD2 4Å; R498-Y520 HydrophobicContact CB-CG 4.3Å; R498-Y520 HydrophobicContact CG-CD2 3.92Å; R498-Y520 HydrophobicContact CG-CE2 4.22Å; R498-Y521 WeakPolarHBondContact CA-O 3.43Å; R498-I522 HydrophobicContact CG-CG1 4.19Å
499	V	98.3	Very high	93.4	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	106.3	177.1	174.9	0	0	0	0	109	T445 C447 Y452 M492 Y520 Y521	T445-V499 HydrophobicContact CG2-CB 4.44Å; T445-V499 HydrophobicContact CG2-CG1 3.67Å; T445-V499 HydrophobicContact CG2-CG2 4.14Å; C447-V499 HydrophobicContact CB-CG2 3.61Å; Y452-V499 HydrophobicContact CD2-CG2 4.43Å; Y452-V499 HydrophobicContact CG-CG2 4.48Å; M492-V499 HydrophobicContact CE-CG1 4.26Å; M492-V499 HydrophobicContact CG-CG1 3.44Å; M492-V499 VanDerWaalsContact CG-CG1 3.44Å; M492-V499 HydrophobicContact SD-CG1 3.36Å; M492-V499 WeakPolarHBondContact SD-CG1 3.06Å; V499-Y520 CarbonylContact O-C 3.5Å; V499-Y520 WeakPolarHBondContact O-CA 3.44Å; V499-Y521 HydrophobicContact CB-CD1 4.47Å; V499-Y521 PolarHBondContact N-O 3.31Å; V499-Y521 PolarHBondContact O-N 2.87Å
500	Y	98.4	Very high	92.2	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.016	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	135.3	-179.7	-71.7	-101.6	0	0	0	111.1	M492 I493 A495 R498 V518 E519 Y520 I550 Y570 T572	M492-Y500 CarbonylContact C-O 3.49Å; M492-Y500 WeakPolarHBondContact CA-O 3.26Å; M492-Y500 WeakPolarHBondContact CG-O 3.3Å; I493-Y500 PolarHBondContact N-O 2.95Å; I493-Y500 PolarHBondContact O-N 2.91Å; A495-Y500 HydrophobicContact CB-CD2 4.14Å; A495-Y500 HydrophobicContact CB-CE2 3.93Å; R498-Y500 HydrophobicContact CB-CD2 4.25Å; R498-Y500 HydrophobicContact CB-CE2 3.72Å; Y500-V518 HydrophobicContact CD1-CG1 4.49Å; Y500-E519 CarbonylContact C-O 3.52Å; Y500-Y520 HydrophobicContact CD1-CD1 4.39Å; Y500-Y520 HydrophobicContact CD1-CG 4.49Å; Y500-Y520 AromaticContact CE1-CD1 3.73Å; Y500-Y520 HydrophobicContact CE1-CD1 3.73Å; Y500-Y520 HydrophobicContact CE1-CG 4.11Å; Y500-Y520 AromaticContact CZ-CD1 3.98Å; Y500-I550 HydrophobicContact CD1-CD1 4.05Å; Y500-I550 HydrophobicContact CD2-CD1 4.07Å; Y500-I550 HydrophobicContact CG-CD1 3.71Å; Y500-Y570 HydrophobicContact CD1-CE1 4.16Å; Y500-Y570 AromaticContact CE1-CE1 3.77Å; Y500-Y570 HydrophobicContact CE1-CE1 3.77Å; Y500-T572 HydrophobicContact CE2-CG2 4.28Å
501	C	98.1	Very high	91.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.4	170	-75.1	0	0	0	0	110.1	S454 M483 A491 M492 E519 W528	S454-C501 PolarHBondContact OG-SG 3.45Å; S454-C501 VanDerWaalsContact OG-SG 3.38Å; M483-C501 HydrophobicContact SD-CB 4.05Å; A491-C501 WeakPolarHBondContact O-CA 3.39Å; M492-C501 PolarHBondContact SD-SG 2.78Å; C501-E519 HydrophobicContact CB-CG 4.2Å; C501-E519 PolarHBondContact N-O 2.84Å; C501-E519 PolarHBondContact O-N 2.89Å; C501-W528 HydrophobicContact CB-CH2 4.4Å; C501-W528 HydrophobicContact CB-CZ3 4.11Å; C501-W528 VanDerWaalsContact SG-CH2 3.57Å
502	L	97.5	Very high	90.7	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	141.9	-173.6	-43.1	94.3	0	0	0	111.1	H490 A491 I493 V518 M534 I550 W577	H490-L502 WeakPolarHBondContact CB-O 3.17Å; A491-L502 PolarHBondContact N-O 3.22Å; A491-L502 PolarHBondContact O-N 3.17Å; I493-L502 HydrophobicContact CG2-CD1 4.36Å; L502-V518 HydrophobicContact CB-CG2 4.32Å; L502-V518 HydrophobicContact CD2-CG1 3.73Å; L502-V518 HydrophobicContact CD2-CG2 4.04Å; L502-V518 HydrophobicContact CG-CG1 3.82Å; L502-V518 HydrophobicContact CG-CG2 4.29Å; L502-M534 HydrophobicContact CB-SD 4.12Å; L502-I550 HydrophobicContact CD1-CD1 4.29Å; L502-I550 HydrophobicContact CD1-CG2 4.19Å; L502-I550 HydrophobicContact CD2-CD1 4.47Å; L502-I550 HydrophobicContact CD2-CG2 4.32Å; L502-W577 HydrophobicContact CD2-CH2 4.1Å; L502-W577 HydrophobicContact CD2-CZ2 4.41Å
503	G	96.4	Very high	90.4	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.01	29%	0.287	C	S	.	.			trans	68.7	-151.5	170.6	0	0	0	0	0	113.5	R487 H490 V515 M534 Q538	R487-G503 PolarHBondContact NH1-O 2.8Å; H490-G503 VanDerWaalsContact CB-O 3.23Å; H490-G503 WeakPolarHBondContact CB-O 3.22Å; G503-V515 VanDerWaalsContact CA-O 3.31Å; G503-V515 WeakPolarHBondContact CA-O 3.23Å; G503-M534 WeakPolarHBondContact CA-SD 3.39Å; G503-M534 PolarHBondContact N-SD 2.89Å; G503-Q538 WeakPolarHBondContact CA-O 3.28Å
504	G	95.5	Very high	90.2	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.29	C	S	.	.			trans	83.9	-165.9	-172.7	0	0	0	0	0	112.7	V488 V515 Q538	V488-G504 CarbonylContact O-C 3.44Å; V488-G504 VanDerWaalsContact O-CA 3.27Å; V488-G504 WeakPolarHBondContact O-CA 3.3Å; G504-V515 PolarHBondContact O-N 3.26Å; G504-Q538 PolarHBondContact N-O 2.94Å
505	R	93	Very high	90.1	Very high	30 Å²	30	59.1 Å²	59.1	11%	0.113	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	157.3	-178.5	74.7	-172	179.5	108.9	-11.5	112.5	Y457 V488 D507 C512 F513 W558	Y457-R505 PolarHBondContact OH-NH1 3.22Å; Y457-R505 VanDerWaalsContact OH-NH1 3.08Å; Y457-R505 PolarHBondContact OH-NH2 2.93Å; V488-R505 PolarHBondContact N-O 2.64Å; V488-R505 PolarHBondContact O-N 3.17Å; R505-D507 IonicContact CZ-OD1 3.77Å; R505-D507 IonicContact NH1-OD1 2.76Å; R505-D507 PolarHBondContact NH1-OD1 2.77Å; R505-C512 PolarHBondContact NH1-SG 3.07Å; R505-F513 CarbonylContact C-O 3.53Å; R505-F513 WeakPolarHBondContact CA-O 3.4Å; R505-W558 HydrophobicContact CB-CG 4.39Å; R505-W558 VanDerWaalsContact CD-NE1 3.33Å
506	M	89.7	Confident	90.1	Very high	57 Å²	57	62.3 Å²	62.3	28%	0.281	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	143.9	168.9	-177.6	-177.1	66.7	0	0	109.3	P486 C512 F513 V515	P486-M506 HydrophobicContact CG-CG 4.02Å; P486-M506 HydrophobicContact CG-SD 3.6Å; M506-C512 WeakPolarHBondContact O-CA 3.39Å; M506-F513 PolarHBondContact N-O 3.27Å; M506-F513 PolarHBondContact O-N 3.12Å; M506-V515 HydrophobicContact CB-CG2 4Å
507	D	84.1	Confident	90.4	Very high	49 Å²	49	58 Å²	58	26%	0.262	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	133.1	171.7	-47	-59.7	0	0	0	109.8	Y457 K464 R505 C512	Y457-D507 WeakPolarHBondContact CE1-OD2 3.37Å; Y457-D507 VanDerWaalsContact OH-CG 3.27Å; Y457-D507 PolarHBondContact OH-OD1 3.26Å; Y457-D507 PolarHBondContact OH-OD2 2.96Å; K464-D507 IonicContact NZ-OD2 2.74Å; K464-D507 PolarHBondContact NZ-OD2 3.47Å; R505-D507 IonicContact CZ-OD1 3.77Å; R505-D507 IonicContact NH1-OD1 2.76Å; R505-D507 PolarHBondContact NH1-OD1 2.77Å; D507-C512 PolarHBondContact OD1-SG 2.84Å
508	H	75.6	Confident	90.7	Very high	120 Å²	120	52.3 Å²	52.3	56%	0.556	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.1	108	171.3	-177.5	-59.1	0	0	0	110.2	D510 R511 F513	H508-D510 VanDerWaalsContact C-N 3.33Å; H508-D510 PolarHBondContact O-N 3.06Å; H508-R511 PolarHBondContact N-O 3.18Å; H508-R511 PolarHBondContact O-N 3.48Å; H508-R511 VanDerWaalsContact O-N 3.08Å; H508-F513 HydrophobicContact CB-CD2 4.16Å; H508-F513 HydrophobicContact CB-CE2 3.9Å
509	V	73.1	Confident	90.7	Very high	128 Å²	128	48 Å²	48	78%	0.776	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	-83.5	-177.2	-171.4	0	0	0	0	112.1
510	D	70.4	Confident	90.7	Very high	152 Å²	152	49.5 Å²	49.5	81%	0.813	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.1	5.7	-174.9	-61.2	-41.4	0	0	0	113.9	H508	H508-D510 VanDerWaalsContact C-N 3.33Å; H508-D510 PolarHBondContact O-N 3.06Å
511	R	78.8	Confident	90.7	Very high	184 Å²	184	49.3 Å²	49.3	69%	0.694	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-132.8	150.8	-178.3	-68.2	-173.2	-173.1	-172.3	1.9	112.3	H508 F513	H508-R511 PolarHBondContact N-O 3.18Å; H508-R511 PolarHBondContact O-N 3.48Å; H508-R511 VanDerWaalsContact O-N 3.08Å; R511-F513 HydrophobicContact CB-CD2 4.41Å; R511-F513 HydrophobicContact CB-CE2 3.58Å; R511-F513 HydrophobicContact CB-CZ 3.78Å
512	C	86.1	Confident	90.7	Very high	40 Å²	40	51.2 Å²	51.2	27%	0.27	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.3	173.2	-57.4	0	0	0	0	108.8	R505 M506 D507 W558	R505-C512 PolarHBondContact NH1-SG 3.07Å; M506-C512 WeakPolarHBondContact O-CA 3.39Å; D507-C512 PolarHBondContact OD1-SG 2.84Å; C512-W558 HydrophobicContact CB-CD2 3.77Å; C512-W558 HydrophobicContact CB-CE3 3.35Å; C512-W558 HydrophobicContact CB-CG 4.33Å; C512-W558 HydrophobicContact CB-CZ3 3.75Å
513	F	89.9	Confident	90.7	Very high	94 Å²	94	52.7 Å²	52.7	41%	0.412	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	142.1	-179.1	-62.6	-89.4	0	0	0	110.1	R505 M506 H508 R511	R505-F513 CarbonylContact C-O 3.53Å; R505-F513 WeakPolarHBondContact CA-O 3.4Å; M506-F513 PolarHBondContact N-O 3.27Å; M506-F513 PolarHBondContact O-N 3.12Å; H508-F513 HydrophobicContact CB-CD2 4.16Å; H508-F513 HydrophobicContact CB-CE2 3.9Å; R511-F513 HydrophobicContact CB-CD2 4.41Å; R511-F513 HydrophobicContact CB-CE2 3.58Å; R511-F513 HydrophobicContact CB-CZ 3.78Å
514	D	94.5	Very high	90.7	Very high	31 Å²	31	60.9 Å²	60.9	17%	0.166	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	136.9	171.8	-63.2	-72.7	0	0	0	110.9	L516 W558 H559	D514-L516 HydrophobicContact CB-CD2 4.5Å; D514-W558 PolarHBondContact OD1-N 3.27Å; D514-W558 PolarHBondContact OD2-N 2.82Å; D514-H559 PolarHBondContact OD2-N 3.01Å
515	V	95.6	Very high	90.7	Very high	13 Å²	13	65.7 Å²	65.7	8%	0.079	33%	0.33	C	S	.	.			trans	-94.9	106.8	173.6	-176.9	0	0	0	0	109	E485 R487 G503 G504 M506 A517	E485-V515 HydrophobicContact CB-CG1 4.31Å; R487-V515 HydrophobicContact CG-CG1 4.32Å; G503-V515 VanDerWaalsContact CA-O 3.31Å; G503-V515 WeakPolarHBondContact CA-O 3.23Å; G504-V515 PolarHBondContact O-N 3.26Å; M506-V515 HydrophobicContact CB-CG2 4Å; V515-A517 HydrophobicContact CG1-CB 4.42Å
516	L	96.7	Very high	90.9	Very high	73 Å²	73	66.8 Å²	66.8	38%	0.382	34%	0.339	S	S	.	.			trans	-85.9	-23.9	179.4	-57.2	-176.9	0	0	0	113.3	D514 V518 P533 M534	D514-L516 HydrophobicContact CB-CD2 4.5Å; L516-V518 PolarHBondContact O-N 2.93Å; L516-P533 HydrophobicContact CB-CB 4.46Å; L516-P533 CarbonylContact O-C 3.49Å; L516-P533 VanDerWaalsContact O-CA 3.31Å; L516-P533 WeakPolarHBondContact O-CA 3.08Å; L516-P533 WeakPolarHBondContact O-CB 3.43Å; L516-M534 HydrophobicContact CD2-CB 4.34Å; L516-M534 PolarHBondContact O-N 3.17Å
517	A	97.1	Very high	91.3	Very high	30 Å²	30	69.8 Å²	69.8	25%	0.248	35%	0.352	C	S	.	.			trans	-57.7	137.8	-179.7	0	0	0	0	0	110.3	E485 R487 V515	E485-A517 HydrophobicContact CG-CB 3.96Å; R487-A517 VanDerWaalsContact CZ-O 3.23Å; R487-A517 PolarHBondContact NH1-O 2.89Å; R487-A517 PolarHBondContact NH2-O 3.21Å; V515-A517 HydrophobicContact CG1-CB 4.42Å
518	V	98.1	Very high	92	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	134.8	171.2	-179.7	0	0	0	0	108.1	Y500 L502 L516 T530 V531 M534 W577	Y500-V518 HydrophobicContact CD1-CG1 4.49Å; L502-V518 HydrophobicContact CB-CG2 4.32Å; L502-V518 HydrophobicContact CD2-CG1 3.73Å; L502-V518 HydrophobicContact CD2-CG2 4.04Å; L502-V518 HydrophobicContact CG-CG1 3.82Å; L502-V518 HydrophobicContact CG-CG2 4.29Å; L516-V518 PolarHBondContact O-N 2.93Å; V518-T530 WeakPolarHBondContact O-CA 3.4Å; V518-V531 HydrophobicContact CB-CG2 3.73Å; V518-V531 HydrophobicContact CG1-CG2 3.4Å; V518-V531 PolarHBondContact O-N 2.98Å; V518-M534 HydrophobicContact CG2-CG 3.66Å; V518-W577 HydrophobicContact CG2-CZ2 3.99Å
519	E	97.8	Very high	93	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.009	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	147.2	178.3	59.7	-166.2	123.9	0	0	109.6	N484 E485 R487 Y500 C501 W528 T529	N484-E519 WeakPolarHBondContact CB-OE2 3.47Å; N484-E519 PolarHBondContact N-OE2 2.9Å; N484-E519 PolarHBondContact ND2-OE2 2.96Å; E485-E519 PolarHBondContact N-OE1 3.48Å; R487-E519 IonicContact CZ-OE1 2.64Å; R487-E519 IonicContact NE-OE1 2.87Å; R487-E519 PolarHBondContact NE-OE1 2.76Å; R487-E519 IonicContact NH2-OE1 3.68Å; R487-E519 PolarHBondContact NH2-OE1 2.97Å; Y500-E519 CarbonylContact C-O 3.52Å; C501-E519 HydrophobicContact CB-CG 4.2Å; C501-E519 PolarHBondContact N-O 2.84Å; C501-E519 PolarHBondContact O-N 2.89Å; E519-W528 HydrophobicContact CB-CE3 3.99Å; E519-W528 HydrophobicContact CG-CE3 3.56Å; E519-W528 HydrophobicContact CG-CZ3 3.77Å; E519-T529 CarbonylContact C-O 3.6Å; E519-T529 VanDerWaalsContact CA-O 3.22Å; E519-T529 WeakPolarHBondContact CA-O 3.43Å
520	Y	98	Very high	94.2	Very high	31 Å²	31	64 Å²	64	12%	0.122	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	150.5	168.8	69.9	-102.7	0	0	0	111.3	R498 V499 Y500 I522 W528 T529 V531	R498-Y520 HydrophobicContact CB-CD2 4Å; R498-Y520 HydrophobicContact CB-CG 4.3Å; R498-Y520 HydrophobicContact CG-CD2 3.92Å; R498-Y520 HydrophobicContact CG-CE2 4.22Å; V499-Y520 CarbonylContact O-C 3.5Å; V499-Y520 WeakPolarHBondContact O-CA 3.44Å; Y500-Y520 HydrophobicContact CD1-CD1 4.39Å; Y500-Y520 HydrophobicContact CD1-CG 4.49Å; Y500-Y520 AromaticContact CE1-CD1 3.73Å; Y500-Y520 HydrophobicContact CE1-CD1 3.73Å; Y500-Y520 HydrophobicContact CE1-CG 4.11Å; Y500-Y520 AromaticContact CZ-CD1 3.98Å; Y520-I522 HydrophobicContact CD2-CG1 4.07Å; Y520-I522 HydrophobicContact CE2-CD1 3.83Å; Y520-I522 HydrophobicContact CE2-CG1 3.8Å; Y520-W528 CarbonylContact O-C 3.56Å; Y520-W528 WeakPolarHBondContact O-CA 3.19Å; Y520-T529 HydrophobicContact CE1-CG2 3.99Å; Y520-T529 HydrophobicContact CE2-CG2 4.48Å; Y520-T529 PolarHBondContact N-O 2.67Å; Y520-T529 PolarHBondContact O-N 2.76Å; Y520-V531 HydrophobicContact CD1-CG1 3.51Å; Y520-V531 HydrophobicContact CE1-CG1 3.37Å
521	Y	98.6	Very high	95.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	136.8	177.5	173.9	-102.7	0	0	0	110.6	Y452 L467 R498 V499 P523 D526 Q527 W528	Y452-Y521 HydrophobicContact CD1-CE1 4.16Å; Y452-Y521 AromaticContact CE1-CE1 3.76Å; Y452-Y521 HydrophobicContact CE1-CE1 3.76Å; L467-Y521 HydrophobicContact CD2-CD1 3.76Å; L467-Y521 HydrophobicContact CD2-CD2 3.78Å; L467-Y521 HydrophobicContact CD2-CE1 3.66Å; L467-Y521 HydrophobicContact CD2-CE2 3.67Å; L467-Y521 HydrophobicContact CD2-CG 3.81Å; R498-Y521 WeakPolarHBondContact CA-O 3.43Å; V499-Y521 HydrophobicContact CB-CD1 4.47Å; V499-Y521 PolarHBondContact N-O 3.31Å; V499-Y521 PolarHBondContact O-N 2.87Å; Y521-P523 HydrophobicContact CD1-CG 4.04Å; Y521-P523 VanDerWaalsContact CE1-CA 3.44Å; Y521-P523 HydrophobicContact CE1-CB 4.07Å; Y521-P523 HydrophobicContact CE1-CG 3.89Å; Y521-D526 HydrophobicContact CE2-CB 4.46Å; Y521-D526 WeakPolarHBondContact CE2-OD1 3.49Å; Y521-D526 VanDerWaalsContact CZ-OD1 3.25Å; Y521-D526 PolarHBondContact OH-OD1 3.32Å; Y521-Q527 WeakPolarHBondContact CA-O 3.23Å; Y521-Q527 WeakPolarHBondContact CD2-O 3.23Å; Y521-W528 AromaticContact CD2-CD1 3.97Å; Y521-W528 HydrophobicContact CD2-CD2 4.09Å; Y521-W528 AromaticContact CD2-CE2 3.75Å; Y521-W528 HydrophobicContact CD2-CG 4.23Å; Y521-W528 HydrophobicContact CD2-CZ2 4.23Å; Y521-W528 AromaticContact CD2-NE1 3.64Å; Y521-W528 HydrophobicContact CG-CD2 4.4Å; Y521-W528 HydrophobicContact CG-CZ2 4.2Å
522	I	97.9	Very high	96.5	Very high	39 Å²	39	50.8 Å²	50.8	20%	0.2	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	110.8	171.3	-64	172.1	0	0	0	108.3	R498 Y520 E524 N525 D526 Q527	R498-I522 HydrophobicContact CG-CG1 4.19Å; Y520-I522 HydrophobicContact CD2-CG1 4.07Å; Y520-I522 HydrophobicContact CE2-CD1 3.83Å; Y520-I522 HydrophobicContact CE2-CG1 3.8Å; I522-E524 VanDerWaalsContact C-N 3.28Å; I522-E524 HydrophobicContact CG2-CB 4.11Å; I522-E524 PolarHBondContact O-N 2.78Å; I522-N525 PolarHBondContact O-N 3.16Å; I522-D526 PolarHBondContact O-N 2.79Å; I522-Q527 PolarHBondContact N-O 2.8Å
523	P	97.1	Very high	97	Very high	32 Å²	32	52.6 Å²	52.6	21%	0.208	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-35.9	178.9	-30.3	38.1	0	0	0	115.5	Y452 D497 Y521 N525	Y452-P523 HydrophobicContact CE2-CG 4.39Å; Y452-P523 WeakPolarHBondContact OH-CB 3.41Å; D497-P523 WeakPolarHBondContact O-CD 3.47Å; Y521-P523 HydrophobicContact CD1-CG 4.04Å; Y521-P523 VanDerWaalsContact CE1-CA 3.44Å; Y521-P523 HydrophobicContact CE1-CB 4.07Å; Y521-P523 HydrophobicContact CE1-CG 3.89Å; P523-N525 VanDerWaalsContact C-N 3.31Å; P523-N525 PolarHBondContact O-N 3.18Å
524	E	96.4	Very high	97.3	Very high	173 Å²	173	48.4 Å²	48.4	81%	0.808	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-38.2	-176.6	-62	-175.6	155.8	0	0	112.7	I522	I522-E524 VanDerWaalsContact C-N 3.28Å; I522-E524 HydrophobicContact CG2-CB 4.11Å; I522-E524 PolarHBondContact O-N 2.78Å
525	N	96.6	Very high	97.4	Very high	101 Å²	101	53.5 Å²	53.5	54%	0.54	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-2.3	-173.6	-62.5	-4.6	0	0	0	112.9	I522 P523 Q527	I522-N525 PolarHBondContact O-N 3.16Å; P523-N525 VanDerWaalsContact C-N 3.31Å; P523-N525 PolarHBondContact O-N 3.18Å; N525-Q527 VanDerWaalsContact C-N 3.33Å; N525-Q527 WeakPolarHBondContact O-CG 3.47Å; N525-Q527 PolarHBondContact O-N 3.25Å
526	D	97.6	Very high	97.3	Very high	53 Å²	53	54.7 Å²	54.7	28%	0.283	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	46	-176.7	-162	21	0	0	0	113.3	K480 S481 Y521 I522	K480-D526 WeakPolarHBondContact CB-OD1 3.31Å; S481-D526 WeakPolarHBondContact CB-O 3.49Å; S481-D526 WeakPolarHBondContact CB-OD1 3.31Å; S481-D526 PolarHBondContact N-OD1 2.95Å; S481-D526 PolarHBondContact N-OD2 3.11Å; S481-D526 VanDerWaalsContact OG-CG 3.31Å; S481-D526 PolarHBondContact OG-O 3Å; S481-D526 PolarHBondContact OG-OD1 3.49Å; S481-D526 PolarHBondContact OG-OD2 2.99Å; Y521-D526 HydrophobicContact CE2-CB 4.46Å; Y521-D526 WeakPolarHBondContact CE2-OD1 3.49Å; Y521-D526 VanDerWaalsContact CZ-OD1 3.25Å; Y521-D526 PolarHBondContact OH-OD1 3.32Å; I522-D526 PolarHBondContact O-N 2.79Å
527	Q	97.7	Very high	97.2	Very high	121 Å²	121	51.3 Å²	51.3	57%	0.565	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.7	143.1	-172.5	-79.8	179.2	-5.2	0	0	113.2	Y521 I522 N525	Y521-Q527 WeakPolarHBondContact CA-O 3.23Å; Y521-Q527 WeakPolarHBondContact CD2-O 3.23Å; I522-Q527 PolarHBondContact N-O 2.8Å; N525-Q527 VanDerWaalsContact C-N 3.33Å; N525-Q527 WeakPolarHBondContact O-CG 3.47Å; N525-Q527 PolarHBondContact O-N 3.25Å
528	W	98.3	Very high	97.1	Very high	29 Å²	29	50.1 Å²	50.1	11%	0.11	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	142.3	173.1	-69.7	93.7	0	0	0	111.4	L467 S481 P482 M483 N484 C501 E519 Y520 Y521	L467-W528 HydrophobicContact CB-CZ2 4.33Å; L467-W528 HydrophobicContact CD1-CZ2 4.21Å; L467-W528 HydrophobicContact CD2-CZ2 3.77Å; L467-W528 HydrophobicContact CG-CZ2 4.32Å; S481-W528 PolarHBondContact O-NE1 2.78Å; P482-W528 PolarHBondContact O-NE1 3.09Å; M483-W528 HydrophobicContact CB-CZ2 4.38Å; M483-W528 HydrophobicContact CG-CD2 4.32Å; M483-W528 HydrophobicContact CG-CE3 4.43Å; M483-W528 HydrophobicContact CG-CH2 3.5Å; M483-W528 VanDerWaalsContact CG-CH2 3.5Å; M483-W528 HydrophobicContact CG-CZ2 3.31Å; M483-W528 HydrophobicContact CG-CZ3 4.07Å; M483-W528 HydrophobicContact SD-CH2 4.15Å; M483-W528 HydrophobicContact SD-CZ2 4.45Å; N484-W528 WeakPolarHBondContact ND2-CB 3.23Å; C501-W528 HydrophobicContact CB-CH2 4.4Å; C501-W528 HydrophobicContact CB-CZ3 4.11Å; C501-W528 VanDerWaalsContact SG-CH2 3.57Å; E519-W528 HydrophobicContact CB-CE3 3.99Å; E519-W528 HydrophobicContact CG-CE3 3.56Å; E519-W528 HydrophobicContact CG-CZ3 3.77Å; Y520-W528 CarbonylContact O-C 3.56Å; Y520-W528 WeakPolarHBondContact O-CA 3.19Å; Y521-W528 AromaticContact CD2-CD1 3.97Å; Y521-W528 HydrophobicContact CD2-CD2 4.09Å; Y521-W528 AromaticContact CD2-CE2 3.75Å; Y521-W528 HydrophobicContact CD2-CG 4.23Å; Y521-W528 HydrophobicContact CD2-CZ2 4.23Å; Y521-W528 AromaticContact CD2-NE1 3.64Å; Y521-W528 HydrophobicContact CG-CD2 4.4Å; Y521-W528 HydrophobicContact CG-CZ2 4.2Å
529	T	97.8	Very high	97	Very high	54 Å²	54	50.1 Å²	50.1	33%	0.331	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	128.5	175.2	-60.7	0	0	0	0	109.9	E519 Y520	E519-T529 CarbonylContact C-O 3.6Å; E519-T529 VanDerWaalsContact CA-O 3.22Å; E519-T529 WeakPolarHBondContact CA-O 3.43Å; Y520-T529 HydrophobicContact CE1-CG2 3.99Å; Y520-T529 HydrophobicContact CE2-CG2 4.48Å; Y520-T529 PolarHBondContact N-O 2.67Å; Y520-T529 PolarHBondContact O-N 2.76Å
530	T	97.9	Very high	96.8	Very high	93 Å²	93	51.8 Å²	51.8	57%	0.571	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	142	175	-54.1	0	0	0	0	110.8	V518	V518-T530 WeakPolarHBondContact O-CA 3.4Å
531	V	98	Very high	96.8	Very high	18 Å²	18	51.4 Å²	51.4	11%	0.109	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	-175.7	178.9	-63.3	0	0	0	0	110.5	V518 Y520 Y570 D575	V518-V531 HydrophobicContact CB-CG2 3.73Å; V518-V531 HydrophobicContact CG1-CG2 3.4Å; V518-V531 PolarHBondContact O-N 2.98Å; Y520-V531 HydrophobicContact CD1-CG1 3.51Å; Y520-V531 HydrophobicContact CE1-CG1 3.37Å; V531-Y570 WeakPolarHBondContact CB-OH 3.25Å; V531-Y570 WeakPolarHBondContact CG2-OH 3.36Å; V531-D575 WeakPolarHBondContact CB-OD1 3.4Å
532	S	98	Very high	96.7	Very high	39 Å²	39	51.5 Å²	51.5	27%	0.273	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-51.9	125.1	-177	-72.5	0	0	0	0	112.7	D575 W577	S532-D575 WeakPolarHBondContact CB-O 3.24Å; S532-D575 WeakPolarHBondContact CB-OD1 3.33Å; S532-D575 PolarHBondContact N-OD1 2.76Å; S532-D575 PolarHBondContact N-OD2 3.05Å; S532-D575 PolarHBondContact OG-O 2.87Å; S532-D575 PolarHBondContact OG-OD1 2.9Å; S532-W577 PolarHBondContact O-NE1 3.03Å; S532-W577 VanDerWaalsContact O-NE1 3.16Å
533	P	97.8	Very high	96.7	Very high	79 Å²	79	51 Å²	51	51%	0.513	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-70	155.3	-175.7	30.5	-36.3	0	0	0	111.9	L516 W577	L516-P533 HydrophobicContact CB-CB 4.46Å; L516-P533 CarbonylContact O-C 3.49Å; L516-P533 VanDerWaalsContact O-CA 3.31Å; L516-P533 WeakPolarHBondContact O-CA 3.08Å; L516-P533 WeakPolarHBondContact O-CB 3.43Å; P533-W577 PolarHBondContact O-NE1 3.48Å
534	M	96.6	Very high	96.6	Very high	5 Å²	5	49.7 Å²	49.7	3%	0.025	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-57.5	145.7	172.3	-59.8	-173.6	67.8	0	0	111.1	L502 G503 L516 V518 Q538 I552 Q568 W577	L502-M534 HydrophobicContact CB-SD 4.12Å; G503-M534 WeakPolarHBondContact CA-SD 3.39Å; G503-M534 PolarHBondContact N-SD 2.89Å; L516-M534 HydrophobicContact CD2-CB 4.34Å; L516-M534 PolarHBondContact O-N 3.17Å; V518-M534 HydrophobicContact CG2-CG 3.66Å; M534-Q538 HydrophobicContact CE-CB 4.1Å; M534-I552 HydrophobicContact CE-CG1 4.32Å; M534-I552 HydrophobicContact CE-CG2 4.23Å; M534-Q568 VanDerWaalsContact CE-NE2 3.32Å; M534-W577 HydrophobicContact CB-CH2 4.32Å; M534-W577 HydrophobicContact CB-CZ2 4.02Å; M534-W577 HydrophobicContact CE-CH2 4.28Å; M534-W577 HydrophobicContact CG-CH2 3.69Å; M534-W577 HydrophobicContact CG-CZ2 3.53Å
535	R	95.4	Very high	96.6	Very high	139 Å²	139	44 Å²	44	53%	0.525	24%	0.239	S	C	.	.	S	Bend	trans	-74.3	-35.2	177.9	-60.3	-179	174.7	-143.3	-0.5	111.7	W577	R535-W577 HydrophobicContact CG-CB 4.19Å; R535-W577 HydrophobicContact CG-CG 4.25Å; R535-W577 PolarHBondContact NH2-O 2.96Å
536	T	93.9	Very high	96.5	Very high	37 Å²	37	39.6 Å²	39.6	23%	0.227	22%	0.215	C	C	.	.	S	Bend	trans	-136.7	146.6	-177.6	-55.9	0	0	0	0	110	N557 I566 Q568	T536-N557 VanDerWaalsContact CG2-ND2 3.28Å; T536-N557 WeakPolarHBondContact CG2-ND2 3.4Å; T536-I566 HydrophobicContact CG2-CD1 4.29Å; T536-Q568 PolarHBondContact O-NE2 2.99Å
537	G	94.3	Very high	96.2	Very high	3 Å²	3	42.5 Å²	42.5	3%	0.031	23%	0.23	C	C	.	.			trans	-67.6	128.7	174.4	0	0	0	0	0	112.7	N557	G537-N557 PolarHBondContact O-ND2 3.05Å
538	Q	95.7	Very high	95.9	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.019	22%	0.223	C	C	.	.			trans	-140.5	121.1	174.5	-71.7	-180	-66.6	0	0	109.7	G503 G504 M534 A541 I552 G554 T564 I566	G503-Q538 WeakPolarHBondContact CA-O 3.28Å; G504-Q538 PolarHBondContact N-O 2.94Å; M534-Q538 HydrophobicContact CE-CB 4.1Å; Q538-A541 HydrophobicContact CB-CB 4.23Å; Q538-I552 HydrophobicContact CB-CG2 4Å; Q538-I552 HydrophobicContact CG-CG2 4.45Å; Q538-G554 PolarHBondContact NE2-O 3.04Å; Q538-T564 HydrophobicContact CG-CG2 4.13Å; Q538-I566 PolarHBondContact NE2-O 2.93Å
539	S	95.4	Very high	95.8	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.007	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-118.5	158.6	168.7	62.6	0	0	0	0	109.7	L489 A541 G555 Y556 W558	L489-S539 WeakPolarHBondContact O-CA 3.33Å; S539-A541 PolarHBondContact O-N 3.11Å; S539-G555 CarbonylContact O-C 3.54Å; S539-G555 WeakPolarHBondContact O-CA 3.45Å; S539-Y556 PolarHBondContact N-O 3.04Å; S539-Y556 PolarHBondContact O-N 3.35Å; S539-Y556 PolarHBondContact OG-O 2.89Å; S539-W558 PolarHBondContact OG-NE1 3.11Å
540	E	94.9	Very high	95.8	Very high	37 Å²	37	39.2 Å²	39.2	17%	0.173	21%	0.21	C	C	.	.	S	Bend	trans	55.5	29.1	-179.9	-52.7	-175.1	-89.3	0	0	112.9	H342 Q394 L489 A588 G589	H342-E540 IonicContact CE1-OE2 2.71Å; H342-E540 PolarHBondContact CE1-OE2 3.21Å; H342-E540 IonicContact ND1-OE2 3.26Å; H342-E540 IonicContact NE2-OE2 2.91Å; Q394-E540 PolarHBondContact NE2-OE2 3.02Å; Q394-E540 VanDerWaalsContact NE2-OE2 3.09Å; L489-E540 HydrophobicContact CB-CG 3.75Å; L489-E540 HydrophobicContact CD1-CG 3.74Å; L489-E540 HydrophobicContact CD2-CG 4.14Å; L489-E540 HydrophobicContact CG-CG 4.06Å; L489-E540 PolarHBondContact O-N 3.17Å; E540-A588 HydrophobicContact CB-CB 4.43Å; E540-G589 WeakPolarHBondContact O-CA 3.37Å; E540-G589 PolarHBondContact O-N 3.07Å
541	A	96.5	Very high	95.7	Very high	22 Å²	22	35 Å²	35	18%	0.182	18%	0.184	C	C	.	.			trans	-89	152.2	179.6	0	0	0	0	0	110.8	Q538 S539 I552	Q538-A541 HydrophobicContact CB-CB 4.23Å; S539-A541 PolarHBondContact O-N 3.11Å; A541-I552 HydrophobicContact CB-CG2 3.48Å; A541-I552 VanDerWaalsContact CB-CG2 3.48Å
542	G	96.7	Very high	95.7	Very high	2 Å²	2	34.2 Å²	34.2	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	138.1	167.5	0	0	0	0	0	109.5	I552 V553 I590	G542-I552 CarbonylContact O-C 3.52Å; G542-I552 WeakPolarHBondContact O-CA 3.49Å; G542-V553 PolarHBondContact N-O 3.35Å; G542-V553 PolarHBondContact O-N 3.19Å; G542-I590 WeakPolarHBondContact CA-O 3.34Å; G542-I590 VanDerWaalsContact N-CG2 3.35Å; G542-I590 PolarHBondContact N-O 3.49Å
543	C	97.3	Very high	95.6	Very high	30 Å²	30	32.4 Å²	32.4	20%	0.203	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.7	177.2	-177.7	0	0	0	0	111.5	A491 Y551 I552 C592	A491-C543 HydrophobicContact CB-CB 3.54Å; C543-Y551 WeakPolarHBondContact CA-O 3.36Å; C543-I552 HydrophobicContact CB-CD1 3.93Å; C543-C592 PolarHBondContact N-SG 2.87Å
544	C	96.9	Very high	95.5	Very high	4 Å²	4	28.6 Å²	28.6	3%	0.027	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	158	171.5	67.6	0	0	0	0	112.8	L300 I493 Y551	L300-C544 WeakPolarHBondContact CD1-SG 3.4Å; L300-C544 VanDerWaalsContact CG-SG 3.6Å; I493-C544 VanDerWaalsContact CD1-CA 3.48Å; C544-Y551 PolarHBondContact N-O 3.38Å; C544-Y551 VanDerWaalsContact N-O 3.16Å; C544-Y551 PolarHBondContact O-N 2.87Å
545	L	96.2	Very high	95.4	Very high	53 Å²	53	28.4 Å²	28.4	28%	0.277	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	119.8	176.4	-177.8	74.5	0	0	0	108.4	I493 S494 A495 K549 I550 P594	I493-L545 HydrophobicContact CD1-CB 3.6Å; I493-L545 HydrophobicContact CG1-CB 4.18Å; S494-L545 WeakPolarHBondContact O-CD2 3.25Å; A495-L545 HydrophobicContact CB-CD1 3.82Å; A495-L545 HydrophobicContact CB-CD2 3.86Å; L545-K549 WeakPolarHBondContact CA-O 3.43Å; L545-I550 HydrophobicContact CD1-CG1 3.91Å; L545-P594 WeakPolarHBondContact O-CG 3.41Å
546	L	94.1	Very high	95.4	Very high	9 Å²	9	23.3 Å²	23.3	5%	0.047	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	128	177.1	176.6	64.7	0	0	0	109	V298 L300 I325 K548 K549 Y551 P594	V298-L546 HydrophobicContact CB-CD1 3.92Å; V298-L546 HydrophobicContact CG1-CD1 3.53Å; L300-L546 HydrophobicContact CB-CD2 4.04Å; I325-L546 HydrophobicContact CD1-CD2 3.84Å; I325-L546 HydrophobicContact CD1-CG 4.13Å; I325-L546 HydrophobicContact CG1-CD2 4.17Å; L546-K548 VanDerWaalsContact C-N 3.25Å; L546-K548 PolarHBondContact O-N 2.83Å; L546-K549 PolarHBondContact N-O 2.88Å; L546-K549 WeakPolarHBondContact O-CA 3.26Å; L546-K549 WeakPolarHBondContact O-CB 3.5Å; L546-K549 PolarHBondContact O-N 2.8Å; L546-K549 VanDerWaalsContact O-O 3.12Å; L546-Y551 HydrophobicContact CB-CD2 3.97Å; L546-Y551 HydrophobicContact CB-CE2 3.75Å; L546-Y551 HydrophobicContact CD2-CE2 4.3Å; L546-Y551 HydrophobicContact CG-CE2 4.34Å; L546-P594 HydrophobicContact CD1-CB 4.11Å
547	D	90.2	Very high	95.4	Very high	113 Å²	113	21.9 Å²	21.9	60%	0.604	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.2	48.2	-178.6	-165.9	29.2	0	0	0	113.1	K549	D547-K549 PolarHBondContact O-N 3.42Å; D547-K549 VanDerWaalsContact O-N 3.07Å
548	K	92.1	Very high	95.2	Very high	96 Å²	96	24.4 Å²	24.4	42%	0.417	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	9.8	-177.7	-44.7	173	-174.8	170	0	115.3	L546 T572 E573	L546-K548 VanDerWaalsContact C-N 3.25Å; L546-K548 PolarHBondContact O-N 2.83Å; K548-T572 WeakPolarHBondContact O-CB 3.19Å; K548-T572 WeakPolarHBondContact O-CG2 3.28Å; K548-T572 PolarHBondContact O-N 2.79Å; K548-T572 PolarHBondContact O-OG1 3.13Å; K548-E573 HydrophobicContact CD-CG 4.21Å; K548-E573 WeakPolarHBondContact CD-OE1 3.42Å; K548-E573 WeakPolarHBondContact CE-OE1 3.49Å; K548-E573 IonicContact NZ-OE1 3.52Å; K548-E573 PolarHBondContact NZ-OE1 2.88Å; K548-E573 IonicContact NZ-OE2 3.23Å
549	K	95.6	Very high	94.9	Very high	39 Å²	39	31.9 Å²	31.9	17%	0.17	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	138	176	-59.8	176	-169.6	-178.8	0	110.3	L545 L546 D547 Y551 V569 Y570 N571 E578	L545-K549 WeakPolarHBondContact CA-O 3.43Å; L546-K549 PolarHBondContact N-O 2.88Å; L546-K549 WeakPolarHBondContact O-CA 3.26Å; L546-K549 WeakPolarHBondContact O-CB 3.5Å; L546-K549 PolarHBondContact O-N 2.8Å; L546-K549 VanDerWaalsContact O-O 3.12Å; D547-K549 PolarHBondContact O-N 3.42Å; D547-K549 VanDerWaalsContact O-N 3.07Å; K549-Y551 HydrophobicContact CB-CD2 4.41Å; K549-Y551 HydrophobicContact CB-CE2 3.85Å; K549-Y551 WeakPolarHBondContact O-CD2 3.24Å; K549-V569 HydrophobicContact CB-CG1 3.82Å; K549-V569 HydrophobicContact CD-CG1 3.89Å; K549-V569 HydrophobicContact CG-CG1 4.36Å; K549-Y570 CarbonylContact C-O 3.49Å; K549-Y570 VanDerWaalsContact CA-O 3.24Å; K549-Y570 WeakPolarHBondContact CA-O 3.27Å; K549-N571 HydrophobicContact CG-CB 4.48Å; K549-E578 WeakPolarHBondContact CD-OE1 3.36Å; K549-E578 WeakPolarHBondContact CE-OE1 3.34Å; K549-E578 IonicContact NZ-OE1 2.6Å; K549-E578 PolarHBondContact NZ-OE1 2.78Å; K549-E578 IonicContact NZ-OE2 3.01Å
550	I	97.6	Very high	94.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	122.7	176	-59.8	173.4	0	0	0	107.7	I493 Y500 L502 L545 I552 V569 Y570 T572	I493-I550 HydrophobicContact CG2-CD1 3.64Å; I493-I550 HydrophobicContact CG2-CG1 3.88Å; I493-I550 HydrophobicContact CG2-CG2 3.95Å; Y500-I550 HydrophobicContact CD1-CD1 4.05Å; Y500-I550 HydrophobicContact CD2-CD1 4.07Å; Y500-I550 HydrophobicContact CG-CD1 3.71Å; L502-I550 HydrophobicContact CD1-CD1 4.29Å; L502-I550 HydrophobicContact CD1-CG2 4.19Å; L502-I550 HydrophobicContact CD2-CD1 4.47Å; L502-I550 HydrophobicContact CD2-CG2 4.32Å; L545-I550 HydrophobicContact CD1-CG1 3.91Å; I550-I552 HydrophobicContact CG2-CD1 4.08Å; I550-I552 HydrophobicContact CG2-CG1 4.48Å; I550-V569 WeakPolarHBondContact O-CA 3.41Å; I550-Y570 HydrophobicContact CD1-CD1 4.1Å; I550-Y570 PolarHBondContact N-O 2.96Å; I550-Y570 PolarHBondContact O-N 2.82Å; I550-T572 HydrophobicContact CD1-CG2 3.84Å; I550-T572 HydrophobicContact CG1-CG2 3.87Å
551	Y	97.1	Very high	94.4	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.016	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	124.2	176.1	-72.4	-105.4	0	0	0	109.2	L300 C543 C544 L546 K549 V567 V569	L300-Y551 HydrophobicContact CD1-CD1 3.65Å; L300-Y551 HydrophobicContact CD1-CD2 4.25Å; L300-Y551 HydrophobicContact CD1-CE1 4.41Å; L300-Y551 HydrophobicContact CD1-CG 3.57Å; C543-Y551 WeakPolarHBondContact CA-O 3.36Å; C544-Y551 PolarHBondContact N-O 3.38Å; C544-Y551 VanDerWaalsContact N-O 3.16Å; C544-Y551 PolarHBondContact O-N 2.87Å; L546-Y551 HydrophobicContact CB-CD2 3.97Å; L546-Y551 HydrophobicContact CB-CE2 3.75Å; L546-Y551 HydrophobicContact CD2-CE2 4.3Å; L546-Y551 HydrophobicContact CG-CE2 4.34Å; K549-Y551 HydrophobicContact CB-CD2 4.41Å; K549-Y551 HydrophobicContact CB-CE2 3.85Å; K549-Y551 WeakPolarHBondContact O-CD2 3.24Å; Y551-V567 HydrophobicContact CD1-CG1 4.11Å; Y551-V569 HydrophobicContact CD1-CG1 4.44Å; Y551-V569 HydrophobicContact CD1-CG2 3.62Å; Y551-V569 HydrophobicContact CE1-CB 4.45Å; Y551-V569 HydrophobicContact CE1-CG1 4.06Å; Y551-V569 HydrophobicContact CE1-CG2 3.52Å; Y551-V569 HydrophobicContact CE2-CG1 4.12Å; Y551-V569 HydrophobicContact CG-CG2 4.38Å
552	I	97.4	Very high	94.2	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.015	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	111.5	171.4	-55.7	-61.8	0	0	0	108.1	A491 M534 Q538 A541 G542 C543 I550 V567 Q568	A491-I552 HydrophobicContact CB-CD1 3.92Å; M534-I552 HydrophobicContact CE-CG1 4.32Å; M534-I552 HydrophobicContact CE-CG2 4.23Å; Q538-I552 HydrophobicContact CB-CG2 4Å; Q538-I552 HydrophobicContact CG-CG2 4.45Å; A541-I552 HydrophobicContact CB-CG2 3.48Å; A541-I552 VanDerWaalsContact CB-CG2 3.48Å; G542-I552 CarbonylContact O-C 3.52Å; G542-I552 WeakPolarHBondContact O-CA 3.49Å; C543-I552 HydrophobicContact CB-CD1 3.93Å; I550-I552 HydrophobicContact CG2-CD1 4.08Å; I550-I552 HydrophobicContact CG2-CG1 4.48Å; I552-V567 CarbonylContact O-C 3.54Å; I552-V567 VanDerWaalsContact O-CA 3.23Å; I552-V567 WeakPolarHBondContact O-CA 3.34Å; I552-Q568 HydrophobicContact CB-CB 4.48Å; I552-Q568 PolarHBondContact N-O 2.72Å; I552-Q568 PolarHBondContact O-N 3.29Å
553	V	96.5	Very high	94	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	121.1	-170.9	-176	0	0	0	0	110.3	L300 T302 G542 V567 F583 I590	L300-V553 HydrophobicContact CD1-CG2 4.36Å; L300-V553 HydrophobicContact CD2-CG2 4.31Å; T302-V553 HydrophobicContact CG2-CG1 4.1Å; G542-V553 PolarHBondContact N-O 3.35Å; G542-V553 PolarHBondContact O-N 3.19Å; V553-V567 HydrophobicContact CB-CG2 4.39Å; V553-V567 HydrophobicContact CG1-CG2 3.97Å; V553-V567 HydrophobicContact CG2-CG1 3.94Å; V553-V567 HydrophobicContact CG2-CG2 4.34Å; V553-F583 HydrophobicContact CG1-CB 4.35Å; V553-F583 HydrophobicContact CG1-CD2 4.02Å; V553-F583 HydrophobicContact CG1-CG 4.11Å; V553-I590 HydrophobicContact CG1-CD1 4.12Å; V553-I590 WeakPolarHBondContact O-CG2 3.39Å
554	G	95.4	Very high	93.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.209	C	C	.	.			trans	65.3	-137.5	173.7	0	0	0	0	0	113.7	Q538 T564 I566	Q538-G554 PolarHBondContact NE2-O 3.04Å; G554-T564 VanDerWaalsContact CA-O 3.25Å; G554-T564 WeakPolarHBondContact CA-O 3.34Å; G554-T564 WeakPolarHBondContact O-CG2 3.46Å; G554-I566 PolarHBondContact N-O 3.19Å
555	G	94.9	Very high	93.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.217	C	C	.	.			trans	94.9	-168	-177.7	0	0	0	0	0	113.9	S539 V563 T564 F587	S539-G555 CarbonylContact O-C 3.54Å; S539-G555 WeakPolarHBondContact O-CA 3.45Å; G555-V563 WeakPolarHBondContact O-CA 3.39Å; G555-T564 PolarHBondContact O-N 3.28Å; G555-F587 WeakPolarHBondContact CA-O 3.07Å; G555-F587 PolarHBondContact N-O 2.89Å
556	Y	94.1	Very high	93.6	Very high	32 Å²	32	42.5 Å²	42.5	13%	0.125	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	132.3	-179.7	-165.3	-91	0	0	0	110.4	S539 W558 N561 V563	S539-Y556 PolarHBondContact N-O 3.04Å; S539-Y556 PolarHBondContact O-N 3.35Å; S539-Y556 PolarHBondContact OG-O 2.89Å; Y556-W558 AromaticContact CD1-CD2 3.84Å; Y556-W558 HydrophobicContact CD1-CD2 3.84Å; Y556-W558 AromaticContact CD1-CE2 3.68Å; Y556-W558 HydrophobicContact CD1-CE3 4.35Å; Y556-W558 HydrophobicContact CD1-CG 4.1Å; Y556-W558 HydrophobicContact CD1-CZ2 4.08Å; Y556-W558 AromaticContact CD1-NE1 3.81Å; Y556-W558 AromaticContact CE1-CD2 3.87Å; Y556-W558 HydrophobicContact CE1-CD2 3.87Å; Y556-W558 AromaticContact CE1-CE3 3.92Å; Y556-W558 HydrophobicContact CE1-CE3 3.92Å; Y556-W558 HydrophobicContact CE1-CG 4.32Å; Y556-W558 HydrophobicContact CE1-CH2 4.47Å; Y556-W558 HydrophobicContact CE1-CZ2 4.36Å; Y556-W558 HydrophobicContact CE1-CZ3 4.25Å; Y556-N561 WeakPolarHBondContact OH-CA 3.43Å; Y556-N561 VanDerWaalsContact OH-CG 3.22Å; Y556-N561 PolarHBondContact OH-O 2.94Å; Y556-N561 PolarHBondContact OH-OD1 3.08Å; Y556-V563 HydrophobicContact CD2-CG1 3.99Å
557	N	94.2	Very high	93.7	Very high	7 Å²	7	42.1 Å²	42.1	4%	0.037	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	116.9	174.4	-177	-73.9	0	0	0	109.2	T536 G537 H559 L560 N561 N562	T536-N557 VanDerWaalsContact CG2-ND2 3.28Å; T536-N557 WeakPolarHBondContact CG2-ND2 3.4Å; G537-N557 PolarHBondContact O-ND2 3.05Å; N557-H559 WeakPolarHBondContact OD1-CB 3.42Å; N557-H559 PolarHBondContact OD1-N 2.97Å; N557-L560 HydrophobicContact CB-CB 4.36Å; N557-L560 WeakPolarHBondContact OD1-CB 3.32Å; N557-L560 WeakPolarHBondContact OD1-CG 3.47Å; N557-L560 PolarHBondContact OD1-N 2.78Å; N557-N561 WeakPolarHBondContact O-CA 3.48Å; N557-N561 PolarHBondContact O-N 2.69Å; N557-N562 PolarHBondContact N-O 2.9Å; N557-N562 PolarHBondContact O-N 3.44Å
558	W	91.3	Very high	94	Very high	56 Å²	56	36.9 Å²	36.9	21%	0.212	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-30.4	-174.6	-69.8	88.5	0	0	0	113.1	R505 C512 D514 S539 Y556 N561	R505-W558 HydrophobicContact CB-CG 4.39Å; R505-W558 VanDerWaalsContact CD-NE1 3.33Å; C512-W558 HydrophobicContact CB-CD2 3.77Å; C512-W558 HydrophobicContact CB-CE3 3.35Å; C512-W558 HydrophobicContact CB-CG 4.33Å; C512-W558 HydrophobicContact CB-CZ3 3.75Å; D514-W558 PolarHBondContact OD1-N 3.27Å; D514-W558 PolarHBondContact OD2-N 2.82Å; S539-W558 PolarHBondContact OG-NE1 3.11Å; Y556-W558 AromaticContact CD1-CD2 3.84Å; Y556-W558 HydrophobicContact CD1-CD2 3.84Å; Y556-W558 AromaticContact CD1-CE2 3.68Å; Y556-W558 HydrophobicContact CD1-CE3 4.35Å; Y556-W558 HydrophobicContact CD1-CG 4.1Å; Y556-W558 HydrophobicContact CD1-CZ2 4.08Å; Y556-W558 AromaticContact CD1-NE1 3.81Å; Y556-W558 AromaticContact CE1-CD2 3.87Å; Y556-W558 HydrophobicContact CE1-CD2 3.87Å; Y556-W558 AromaticContact CE1-CE3 3.92Å; Y556-W558 HydrophobicContact CE1-CE3 3.92Å; Y556-W558 HydrophobicContact CE1-CG 4.32Å; Y556-W558 HydrophobicContact CE1-CH2 4.47Å; Y556-W558 HydrophobicContact CE1-CZ2 4.36Å; Y556-W558 HydrophobicContact CE1-CZ3 4.25Å; W558-N561 PolarHBondContact O-N 2.78Å
559	H	89.3	Confident	94.2	Very high	162 Å²	162	32.5 Å²	32.5	75%	0.75	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-43.3	174.5	-176.4	69.1	0	0	0	112.6	D514 N557	D514-H559 PolarHBondContact OD2-N 3.01Å; N557-H559 WeakPolarHBondContact OD1-CB 3.42Å; N557-H559 PolarHBondContact OD1-N 2.97Å
560	L	90	Very high	94.3	Very high	121 Å²	121	30.7 Å²	30.7	63%	0.634	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-11.5	178.4	-61.1	178	0	0	0	113	N557 N562	N557-L560 HydrophobicContact CB-CB 4.36Å; N557-L560 WeakPolarHBondContact OD1-CB 3.32Å; N557-L560 WeakPolarHBondContact OD1-CG 3.47Å; N557-L560 PolarHBondContact OD1-N 2.78Å; L560-N562 VanDerWaalsContact C-N 3.27Å; L560-N562 PolarHBondContact O-N 3.01Å
561	N	89.7	Confident	94.3	Very high	90 Å²	90	31.9 Å²	31.9	48%	0.481	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	44.5	-176.3	-167.9	73.7	0	0	0	112.3	Y556 N557 W558	Y556-N561 WeakPolarHBondContact OH-CA 3.43Å; Y556-N561 VanDerWaalsContact OH-CG 3.22Å; Y556-N561 PolarHBondContact OH-O 2.94Å; Y556-N561 PolarHBondContact OH-OD1 3.08Å; N557-N561 WeakPolarHBondContact O-CA 3.48Å; N557-N561 PolarHBondContact O-N 2.69Å; W558-N561 PolarHBondContact O-N 2.78Å
562	N	91.3	Very high	94.2	Very high	69 Å²	69	32.3 Å²	32.3	37%	0.369	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	157.5	-176.8	-158.8	1.6	0	0	0	111.9	Y308 N557 L560	Y308-N562 WeakPolarHBondContact CD2-OD1 3.34Å; Y308-N562 VanDerWaalsContact CG-OD1 3.32Å; N557-N562 PolarHBondContact N-O 2.9Å; N557-N562 PolarHBondContact O-N 3.44Å; L560-N562 VanDerWaalsContact C-N 3.27Å; L560-N562 PolarHBondContact O-N 3.01Å
563	V	92.8	Very high	94.1	Very high	17 Å²	17	37.2 Å²	37.2	10%	0.103	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	151.1	167.6	-59.1	0	0	0	0	110.1	Y308 G555 Y556 S586 A588	Y308-V563 VanDerWaalsContact CB-CG2 3.45Å; Y308-V563 HydrophobicContact CD2-CG1 4.45Å; G555-V563 WeakPolarHBondContact O-CA 3.39Å; Y556-V563 HydrophobicContact CD2-CG1 3.99Å; V563-S586 VanDerWaalsContact CG2-O 3.23Å; V563-S586 WeakPolarHBondContact CG2-O 3.27Å; V563-A588 HydrophobicContact CG1-CB 3.91Å
564	T	93.6	Very high	94.1	Very high	16 Å²	16	40.6 Å²	40.6	10%	0.098	21%	0.208	C	C	.	.			trans	-123	150.9	-178.8	-176	0	0	0	0	111.5	Q538 G554 G555 I566	Q538-T564 HydrophobicContact CG-CG2 4.13Å; G554-T564 VanDerWaalsContact CA-O 3.25Å; G554-T564 WeakPolarHBondContact CA-O 3.34Å; G554-T564 WeakPolarHBondContact O-CG2 3.46Å; G555-T564 PolarHBondContact O-N 3.28Å; T564-I566 WeakPolarHBondContact OG1-CB 3.27Å; T564-I566 WeakPolarHBondContact OG1-CD1 3.27Å; T564-I566 VanDerWaalsContact OG1-CG1 3.24Å; T564-I566 WeakPolarHBondContact OG1-CG1 3.46Å; T564-I566 PolarHBondContact OG1-N 2.88Å; T564-I566 VanDerWaalsContact OG1-N 3.08Å
565	S	94.2	Very high	94.2	Very high	29 Å²	29	43.2 Å²	43.2	20%	0.203	22%	0.222	C	C	.	.			trans	-97.3	1.6	168.9	57.4	0	0	0	0	112.4	V567 F583 E585 S586	S565-V567 PolarHBondContact O-N 2.99Å; S565-F583 WeakPolarHBondContact CB-O 3.29Å; S565-F583 WeakPolarHBondContact O-CB 3.12Å; S565-F583 PolarHBondContact O-N 3.03Å; S565-E585 VanDerWaalsContact CB-O 3.27Å; S565-E585 WeakPolarHBondContact CB-O 3.08Å; S565-S586 WeakPolarHBondContact CB-OG 3.16Å; S565-S586 PolarHBondContact N-OG 3.03Å
566	I	94.9	Very high	94.2	Very high	30 Å²	30	49.2 Å²	49.2	15%	0.154	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	138.5	-177.8	-66	168.5	0	0	0	110.1	T536 Q538 G554 T564 Q568	T536-I566 HydrophobicContact CG2-CD1 4.29Å; Q538-I566 PolarHBondContact NE2-O 2.93Å; G554-I566 PolarHBondContact N-O 3.19Å; T564-I566 WeakPolarHBondContact OG1-CB 3.27Å; T564-I566 WeakPolarHBondContact OG1-CD1 3.27Å; T564-I566 VanDerWaalsContact OG1-CG1 3.24Å; T564-I566 WeakPolarHBondContact OG1-CG1 3.46Å; T564-I566 PolarHBondContact OG1-N 2.88Å; T564-I566 VanDerWaalsContact OG1-N 3.08Å; I566-Q568 HydrophobicContact CG2-CG 3.78Å
567	V	95.9	Very high	94.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	109.8	167.5	-176	0	0	0	0	108.6	F330 Y551 I552 V553 S565 V569 L581 F583	F330-V567 HydrophobicContact CE2-CG2 4.13Å; Y551-V567 HydrophobicContact CD1-CG1 4.11Å; I552-V567 CarbonylContact O-C 3.54Å; I552-V567 VanDerWaalsContact O-CA 3.23Å; I552-V567 WeakPolarHBondContact O-CA 3.34Å; V553-V567 HydrophobicContact CB-CG2 4.39Å; V553-V567 HydrophobicContact CG1-CG2 3.97Å; V553-V567 HydrophobicContact CG2-CG1 3.94Å; V553-V567 HydrophobicContact CG2-CG2 4.34Å; S565-V567 PolarHBondContact O-N 2.99Å; V567-V569 HydrophobicContact CG1-CG2 4.46Å; V567-L581 WeakPolarHBondContact CA-O 3.11Å; V567-L581 HydrophobicContact CB-CB 3.85Å; V567-L581 HydrophobicContact CB-CD2 4.07Å; V567-L581 HydrophobicContact CB-CG 3.89Å; V567-L581 HydrophobicContact CG1-CD2 3.88Å; V567-L581 HydrophobicContact CG1-CB 4.31Å; V567-L581 PolarHBondContact O-N 3.35Å; V567-L581 PolarHBondContact N-O 3.32Å; V567-L581 HydrophobicContact CG1-CG 4.27Å; V567-L581 HydrophobicContact CG2-CG 4.29Å; V567-F583 HydrophobicContact CG2-CB 3.99Å
568	Q	96.6	Very high	94.4	Very high	3 Å²	3	51.5 Å²	51.5	1%	0.014	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	135.5	175.6	-63.2	-173.8	79.3	0	0	109.8	M534 T536 I552 I566 W577	M534-Q568 VanDerWaalsContact CE-NE2 3.32Å; T536-Q568 PolarHBondContact O-NE2 2.99Å; I552-Q568 HydrophobicContact CB-CB 4.48Å; I552-Q568 PolarHBondContact N-O 2.72Å; I552-Q568 PolarHBondContact O-N 3.29Å; I566-Q568 HydrophobicContact CG2-CG 3.78Å; Q568-W577 HydrophobicContact CB-CE3 3.81Å; Q568-W577 HydrophobicContact CB-CH2 4.45Å; Q568-W577 HydrophobicContact CB-CZ3 3.43Å; Q568-W577 VanDerWaalsContact CB-CZ3 3.43Å; Q568-W577 HydrophobicContact CG-CZ3 4.47Å
569	V	96.4	Very high	94.1	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.024	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	117.7	-177.9	-174	0	0	0	0	108.9	K549 I550 Y551 V567 W577 E578	K549-V569 HydrophobicContact CB-CG1 3.82Å; K549-V569 HydrophobicContact CD-CG1 3.89Å; K549-V569 HydrophobicContact CG-CG1 4.36Å; I550-V569 WeakPolarHBondContact O-CA 3.41Å; Y551-V569 HydrophobicContact CD1-CG1 4.44Å; Y551-V569 HydrophobicContact CD1-CG2 3.62Å; Y551-V569 HydrophobicContact CE1-CB 4.45Å; Y551-V569 HydrophobicContact CE1-CG1 4.06Å; Y551-V569 HydrophobicContact CE1-CG2 3.52Å; Y551-V569 HydrophobicContact CE2-CG1 4.12Å; Y551-V569 HydrophobicContact CG-CG2 4.38Å; V567-V569 HydrophobicContact CG1-CG2 4.46Å; V569-W577 WeakPolarHBondContact O-CA 3.4Å; V569-E578 HydrophobicContact CB-CB 4.2Å; V569-E578 HydrophobicContact CB-CG 4.4Å; V569-E578 HydrophobicContact CG1-CG 4.28Å; V569-E578 PolarHBondContact O-N 3.18Å
570	Y	97.5	Very high	93.7	Very high	2 Å²	2	54 Å²	54	1%	0.008	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	124.4	-179.5	176.3	-105.2	0	0	0	110.8	Y500 V531 K549 I550 T572 D575 W577	Y500-Y570 HydrophobicContact CD1-CE1 4.16Å; Y500-Y570 AromaticContact CE1-CE1 3.77Å; Y500-Y570 HydrophobicContact CE1-CE1 3.77Å; V531-Y570 WeakPolarHBondContact CB-OH 3.25Å; V531-Y570 WeakPolarHBondContact CG2-OH 3.36Å; K549-Y570 CarbonylContact C-O 3.49Å; K549-Y570 VanDerWaalsContact CA-O 3.24Å; K549-Y570 WeakPolarHBondContact CA-O 3.27Å; I550-Y570 HydrophobicContact CD1-CD1 4.1Å; I550-Y570 PolarHBondContact N-O 2.96Å; I550-Y570 PolarHBondContact O-N 2.82Å; Y570-T572 HydrophobicContact CD1-CG2 4.17Å; Y570-T572 HydrophobicContact CE1-CG2 4.19Å; Y570-D575 PolarHBondContact OH-OD1 3.06Å; Y570-D575 VanDerWaalsContact CZ-OD1 3.3Å; Y570-D575 VanDerWaalsContact CE2-OD1 3.25Å; Y570-D575 WeakPolarHBondContact CE2-OD1 3.49Å; Y570-W577 HydrophobicContact CG-CH2 4.43Å; Y570-W577 HydrophobicContact CG-CZ2 4.23Å; Y570-W577 HydrophobicContact CG-CD2 4.48Å; Y570-W577 AromaticContact CD2-NE1 3.66Å; Y570-W577 HydrophobicContact CD2-CZ2 3.98Å; Y570-W577 AromaticContact CD2-CZ2 3.98Å; Y570-W577 HydrophobicContact CD2-CG 4.23Å; Y570-W577 AromaticContact CD2-CE2 3.61Å; Y570-W577 HydrophobicContact CD2-CD2 3.95Å; Y570-W577 AromaticContact CD2-CD2 3.95Å
571	N	96.7	Very high	93.7	Very high	25 Å²	25	48.7 Å²	48.7	13%	0.134	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	113.1	177.3	-174.4	-25.8	0	0	0	110.5	K549 E573 T574 D575 E576	K549-N571 HydrophobicContact CG-CB 4.48Å; N571-E573 PolarHBondContact O-N 2.83Å; N571-E573 WeakPolarHBondContact OD1-CB 3.46Å; N571-E573 PolarHBondContact OD1-N 3.4Å; N571-T574 WeakPolarHBondContact CB-OG1 3.4Å; N571-T574 VanDerWaalsContact CG-OG1 3.29Å; N571-T574 PolarHBondContact ND2-OG1 3.36Å; N571-T574 PolarHBondContact OD1-N 3.3Å; N571-D575 PolarHBondContact O-N 3.09Å; N571-E576 PolarHBondContact N-O 3.34Å
572	T	95.7	Very high	93.9	Very high	13 Å²	13	49.4 Å²	49.4	8%	0.08	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-15.1	-177.3	64	0	0	0	0	114.2	A495 Y500 K548 I550 Y570	A495-T572 HydrophobicContact CB-CG2 4.09Å; Y500-T572 HydrophobicContact CE2-CG2 4.28Å; K548-T572 WeakPolarHBondContact O-CB 3.19Å; K548-T572 WeakPolarHBondContact O-CG2 3.28Å; K548-T572 PolarHBondContact O-N 2.79Å; K548-T572 PolarHBondContact O-OG1 3.13Å; I550-T572 HydrophobicContact CD1-CG2 3.84Å; I550-T572 HydrophobicContact CG1-CG2 3.87Å; Y570-T572 HydrophobicContact CD1-CG2 4.17Å; Y570-T572 HydrophobicContact CE1-CG2 4.19Å
573	E	95.2	Very high	94	Very high	105 Å²	105	46.4 Å²	46.4	49%	0.491	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-37	178.7	-61.7	-169.5	140.7	0	0	112.4	K496 K548 N571	K496-E573 IonicContact NZ-OE1 2.78Å; K496-E573 PolarHBondContact NZ-OE1 3.07Å; K548-E573 HydrophobicContact CD-CG 4.21Å; K548-E573 WeakPolarHBondContact CD-OE1 3.42Å; K548-E573 WeakPolarHBondContact CE-OE1 3.49Å; K548-E573 IonicContact NZ-OE1 3.52Å; K548-E573 PolarHBondContact NZ-OE1 2.88Å; K548-E573 IonicContact NZ-OE2 3.23Å; N571-E573 PolarHBondContact O-N 2.83Å; N571-E573 WeakPolarHBondContact OD1-CB 3.46Å; N571-E573 PolarHBondContact OD1-N 3.4Å
574	T	96.4	Very high	93.9	Very high	72 Å²	72	49.1 Å²	49.1	44%	0.442	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-11.3	-176.7	61.4	0	0	0	0	114	N571 E576	N571-T574 WeakPolarHBondContact CB-OG1 3.4Å; N571-T574 VanDerWaalsContact CG-OG1 3.29Å; N571-T574 PolarHBondContact ND2-OG1 3.36Å; N571-T574 PolarHBondContact OD1-N 3.3Å; T574-E576 VanDerWaalsContact C-N 3.26Å; T574-E576 PolarHBondContact O-N 2.82Å
575	D	96.8	Very high	93.8	Very high	55 Å²	55	51.2 Å²	51.2	29%	0.294	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	39.8	-171.2	-170.3	19.6	0	0	0	112.7	V531 S532 Y570 N571	V531-D575 WeakPolarHBondContact CB-OD1 3.4Å; S532-D575 WeakPolarHBondContact CB-O 3.24Å; S532-D575 WeakPolarHBondContact CB-OD1 3.33Å; S532-D575 PolarHBondContact N-OD1 2.76Å; S532-D575 PolarHBondContact N-OD2 3.05Å; S532-D575 PolarHBondContact OG-O 2.87Å; S532-D575 PolarHBondContact OG-OD1 2.9Å; Y570-D575 PolarHBondContact OH-OD1 3.06Å; Y570-D575 VanDerWaalsContact CZ-OD1 3.3Å; Y570-D575 VanDerWaalsContact CE2-OD1 3.25Å; Y570-D575 WeakPolarHBondContact CE2-OD1 3.49Å; N571-D575 PolarHBondContact O-N 3.09Å
576	E	96.8	Very high	93.7	Very high	126 Å²	126	52.1 Å²	52.1	59%	0.589	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.8	146	-178.5	-66.4	179.4	160.9	0	0	111.7	N571 T574	N571-E576 PolarHBondContact N-O 3.34Å; T574-E576 VanDerWaalsContact C-N 3.26Å; T574-E576 PolarHBondContact O-N 2.82Å
577	W	96.8	Very high	93.6	Very high	22 Å²	22	50.8 Å²	50.8	8%	0.083	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	133.6	171.5	-69	90.1	0	0	0	110.4	L502 V518 S532 P533 M534 R535 Q568 V569 Y570	L502-W577 HydrophobicContact CD2-CH2 4.1Å; L502-W577 HydrophobicContact CD2-CZ2 4.41Å; V518-W577 HydrophobicContact CG2-CZ2 3.99Å; S532-W577 PolarHBondContact O-NE1 3.03Å; S532-W577 VanDerWaalsContact O-NE1 3.16Å; P533-W577 PolarHBondContact O-NE1 3.48Å; M534-W577 HydrophobicContact CB-CH2 4.32Å; M534-W577 HydrophobicContact CB-CZ2 4.02Å; M534-W577 HydrophobicContact CE-CH2 4.28Å; M534-W577 HydrophobicContact CG-CH2 3.69Å; M534-W577 HydrophobicContact CG-CZ2 3.53Å; R535-W577 HydrophobicContact CG-CB 4.19Å; R535-W577 HydrophobicContact CG-CG 4.25Å; R535-W577 PolarHBondContact NH2-O 2.96Å; Q568-W577 HydrophobicContact CB-CE3 3.81Å; Q568-W577 HydrophobicContact CB-CH2 4.45Å; Q568-W577 HydrophobicContact CB-CZ3 3.43Å; Q568-W577 VanDerWaalsContact CB-CZ3 3.43Å; Q568-W577 HydrophobicContact CG-CZ3 4.47Å; V569-W577 WeakPolarHBondContact O-CA 3.4Å; Y570-W577 HydrophobicContact CG-CH2 4.43Å; Y570-W577 HydrophobicContact CG-CZ2 4.23Å; Y570-W577 HydrophobicContact CG-CD2 4.48Å; Y570-W577 AromaticContact CD2-NE1 3.66Å; Y570-W577 HydrophobicContact CD2-CZ2 3.98Å; Y570-W577 AromaticContact CD2-CZ2 3.98Å; Y570-W577 HydrophobicContact CD2-CG 4.23Å; Y570-W577 AromaticContact CD2-CE2 3.61Å; Y570-W577 HydrophobicContact CD2-CD2 3.95Å; Y570-W577 AromaticContact CD2-CD2 3.95Å
578	E	93.8	Very high	93.4	Very high	64 Å²	64	51.2 Å²	51.2	30%	0.299	25%	0.254	S	S	.	.			trans	-79	177.8	176.2	-54.4	-166.7	161.1	0	0	112	K549 V569	K549-E578 WeakPolarHBondContact CD-OE1 3.36Å; K549-E578 WeakPolarHBondContact CE-OE1 3.34Å; K549-E578 IonicContact NZ-OE1 2.6Å; K549-E578 PolarHBondContact NZ-OE1 2.78Å; K549-E578 IonicContact NZ-OE2 3.01Å; V569-E578 HydrophobicContact CB-CB 4.2Å; V569-E578 HydrophobicContact CB-CG 4.4Å; V569-E578 HydrophobicContact CG1-CG 4.28Å; V569-E578 PolarHBondContact O-N 3.18Å
579	R	85.6	Confident	93.3	Very high	201 Å²	201	51.3 Å²	51.3	76%	0.758	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-64.7	150.4	174.4	-68.3	-177.5	177.5	175.1	-0.2	110.4	R328 L581	R328-R579 PolarHBondContact NH2-O 2.91Å; R579-L581 PolarHBondContact O-N 3.08Å
580	D	80.3	Confident	93.2	Very high	70 Å²	70	51.4 Å²	51.4	37%	0.374	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-61.6	131.8	-177.6	-56.7	-22.4	0	0	0	112.3	R328	R328-D580 PolarHBondContact NH2-O 2.92Å
581	L	91.1	Very high	93.2	Very high	9 Å²	9	51.8 Å²	51.8	5%	0.047	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	154.4	166.5	169.8	66.7	0	0	0	107.6	L322 R328 F330 V567 R579	L322-L581 HydrophobicContact CD2-CD2 4.24Å; R328-L581 HydrophobicContact CB-CD1 3.74Å; R328-L581 WeakPolarHBondContact O-CD1 3.38Å; F330-L581 HydrophobicContact CE2-CD2 3.91Å; F330-L581 HydrophobicContact CE2-CG 4.26Å; V567-L581 WeakPolarHBondContact CA-O 3.11Å; V567-L581 HydrophobicContact CB-CB 3.85Å; V567-L581 HydrophobicContact CB-CD2 4.07Å; V567-L581 HydrophobicContact CB-CG 3.89Å; V567-L581 HydrophobicContact CG1-CD2 3.88Å; V567-L581 HydrophobicContact CG1-CB 4.31Å; V567-L581 PolarHBondContact O-N 3.35Å; V567-L581 PolarHBondContact N-O 3.32Å; V567-L581 HydrophobicContact CG1-CG 4.27Å; V567-L581 HydrophobicContact CG2-CG 4.29Å; R579-L581 PolarHBondContact O-N 3.08Å
582	H	93	Very high	93.2	Very high	106 Å²	106	51 Å²	51	49%	0.491	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.6	179.3	-67.4	81	0	0	0	110.9
583	F	93.7	Very high	93.2	Very high	6 Å²	6	51 Å²	51	3%	0.026	26%	0.256	C	S	.	.			trans	-79.1	149.1	168.3	-165.9	-118.1	0	0	0	109.2	T302 F320 F330 V553 S565 V567 E585 F587 I590	T302-F583 HydrophobicContact CG2-CE2 3.87Å; T302-F583 HydrophobicContact CG2-CZ 4.41Å; T302-F583 VanDerWaalsContact OG1-CE2 3.3Å; T302-F583 WeakPolarHBondContact OG1-CE2 3.38Å; T302-F583 VanDerWaalsContact OG1-CZ 3.26Å; T302-F583 WeakPolarHBondContact OG1-CZ 3.04Å; F320-F583 HydrophobicContact CB-CE2 3.78Å; F320-F583 HydrophobicContact CB-CZ 3.98Å; F320-F583 HydrophobicContact CD2-CE1 4.29Å; F320-F583 HydrophobicContact CD2-CE2 4.08Å; F320-F583 AromaticContact CD2-CZ 3.4Å; F320-F583 HydrophobicContact CD2-CZ 3.4Å; F320-F583 HydrophobicContact CE2-CE1 4.42Å; F320-F583 AromaticContact CE2-CZ 3.93Å; F320-F583 HydrophobicContact CE2-CZ 3.93Å; F320-F583 AromaticContact CG-CE2 3.97Å; F320-F583 HydrophobicContact CG-CE2 3.97Å; F320-F583 AromaticContact CG-CZ 3.77Å; F320-F583 HydrophobicContact CG-CZ 3.77Å; F330-F583 HydrophobicContact CB-CD2 4.43Å; F330-F583 AromaticContact CD1-CD2 3.79Å; F330-F583 HydrophobicContact CD1-CD2 3.79Å; F330-F583 AromaticContact CD1-CE2 3.71Å; F330-F583 HydrophobicContact CD1-CE2 3.71Å; F330-F583 AromaticContact CD2-CD2 3.85Å; F330-F583 HydrophobicContact CD2-CD2 3.85Å; F330-F583 AromaticContact CE1-CD2 3.9Å; F330-F583 HydrophobicContact CE1-CD2 3.9Å; F330-F583 AromaticContact CE1-CE2 3.98Å; F330-F583 HydrophobicContact CE1-CE2 3.98Å; F330-F583 AromaticContact CE2-CD2 3.97Å; F330-F583 HydrophobicContact CE2-CD2 3.97Å; F330-F583 AromaticContact CG-CD2 3.76Å; F330-F583 HydrophobicContact CG-CD2 3.76Å; F330-F583 HydrophobicContact CG-CE2 4.02Å; F330-F583 AromaticContact CZ-CD2 3.99Å; F330-F583 HydrophobicContact CZ-CD2 3.99Å; V553-F583 HydrophobicContact CG1-CB 4.35Å; V553-F583 HydrophobicContact CG1-CD2 4.02Å; V553-F583 HydrophobicContact CG1-CG 4.11Å; S565-F583 WeakPolarHBondContact CB-O 3.29Å; S565-F583 WeakPolarHBondContact O-CB 3.12Å; S565-F583 PolarHBondContact O-N 3.03Å; V567-F583 HydrophobicContact CG2-CB 3.99Å; F583-E585 WeakPolarHBondContact CD1-O 3.29Å; F583-E585 HydrophobicContact CE1-CB 4.45Å; F583-E585 PolarHBondContact O-N 2.94Å; F583-F587 AromaticContact CE1-CD2 3.81Å; F583-F587 HydrophobicContact CE1-CD2 3.81Å; F583-F587 HydrophobicContact CE1-CE2 4.18Å; F583-I590 HydrophobicContact CD1-CD1 4.15Å; F583-I590 HydrophobicContact CZ-CD1 3.69Å; F583-I590 HydrophobicContact CE2-CD1 4.3Å; F583-I590 HydrophobicContact CE1-CD1 3.6Å
584	P	92	Very high	93.3	Very high	74 Å²	74	47.8 Å²	47.8	48%	0.481	24%	0.244	S	C	.	.	S	Bend	trans	-65.7	-27.7	-174.7	-23.6	36.4	0	0	0	113.6	F320 F330	F320-P584 HydrophobicContact CD1-CG 4.09Å; F320-P584 HydrophobicContact CE1-CB 4.24Å; F320-P584 HydrophobicContact CE1-CG 4.05Å; F330-P584 HydrophobicContact CB-CG 3.56Å
585	E	90.4	Very high	93.2	Very high	59 Å²	59	44.4 Å²	44.4	28%	0.276	22%	0.223	S	C	.	.	S	Bend	trans	-123.4	161.6	-179.5	-57.9	-165.5	-152.5	0	0	109.8	K318 F320 S565 F583 F587	K318-E585 IonicContact NZ-OE1 3.86Å; K318-E585 PolarHBondContact NZ-OE1 2.87Å; F320-E585 HydrophobicContact CZ-CG 4.46Å; S565-E585 VanDerWaalsContact CB-O 3.27Å; S565-E585 WeakPolarHBondContact CB-O 3.08Å; F583-E585 WeakPolarHBondContact CD1-O 3.29Å; F583-E585 HydrophobicContact CE1-CB 4.45Å; F583-E585 PolarHBondContact O-N 2.94Å; E585-F587 WeakPolarHBondContact OE2-CZ 3.12Å; E585-F587 WeakPolarHBondContact OE2-CE1 3.31Å; E585-F587 VanDerWaalsContact OE2-CE1 3.31Å; E585-F587 HydrophobicContact CG-CZ 4.21Å; E585-F587 HydrophobicContact CB-CZ 3.72Å; E585-F587 HydrophobicContact CB-CE2 3.92Å; E585-F587 HydrophobicContact CB-CE1 3.88Å; E585-F587 HydrophobicContact CB-CD2 4.31Å; E585-F587 HydrophobicContact CB-CD1 4.27Å; E585-F587 HydrophobicContact CB-CG 4.48Å
586	S	92	Very high	93.1	Very high	48 Å²	48	43.8 Å²	43.8	34%	0.336	22%	0.219	S	C	.	.			trans	-104.3	108.1	175.6	-54	0	0	0	0	108.5	V563 S565	V563-S586 VanDerWaalsContact CG2-O 3.23Å; V563-S586 WeakPolarHBondContact CG2-O 3.27Å; S565-S586 WeakPolarHBondContact CB-OG 3.16Å; S565-S586 PolarHBondContact N-OG 3.03Å
587	F	92.6	Very high	92.8	Very high	3 Å²	3	38.4 Å²	38.4	1%	0.013	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	143.7	-173.2	-70	-25.6	0	0	0	112.3	G304 T306 P307 G555 F583 E585 I590	G304-F587 WeakPolarHBondContact O-CD2 2.9Å; T306-F587 WeakPolarHBondContact O-CA 3.3Å; P307-F587 HydrophobicContact CB-CD1 4.1Å; P307-F587 HydrophobicContact CB-CE1 3.9Å; P307-F587 HydrophobicContact CG-CE1 4.28Å; G555-F587 WeakPolarHBondContact CA-O 3.07Å; G555-F587 PolarHBondContact N-O 2.89Å; F583-F587 AromaticContact CE1-CD2 3.81Å; F583-F587 HydrophobicContact CE1-CD2 3.81Å; F583-F587 HydrophobicContact CE1-CE2 4.18Å; E585-F587 WeakPolarHBondContact OE2-CZ 3.12Å; E585-F587 WeakPolarHBondContact OE2-CE1 3.31Å; E585-F587 VanDerWaalsContact OE2-CE1 3.31Å; E585-F587 HydrophobicContact CG-CZ 4.21Å; E585-F587 HydrophobicContact CB-CZ 3.72Å; E585-F587 HydrophobicContact CB-CE2 3.92Å; E585-F587 HydrophobicContact CB-CE1 3.88Å; E585-F587 HydrophobicContact CB-CD2 4.31Å; E585-F587 HydrophobicContact CB-CD1 4.27Å; E585-F587 HydrophobicContact CB-CG 4.48Å; F587-I590 HydrophobicContact CB-CB 4.5Å; F587-I590 HydrophobicContact CD2-CD1 4.37Å
588	A	92.6	Very high	92.5	Very high	8 Å²	8	39.2 Å²	39.2	7%	0.066	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	158.1	160.8	0	0	0	0	0	110.9	G305 T306 E540 V563 I590	G305-A588 WeakPolarHBondContact CA-O 3.23Å; T306-A588 PolarHBondContact N-O 3.19Å; T306-A588 PolarHBondContact O-N 2.87Å; E540-A588 HydrophobicContact CB-CB 4.43Å; V563-A588 HydrophobicContact CG1-CB 3.91Å; A588-I590 PolarHBondContact O-N 2.91Å
589	G	93.5	Very high	91.9	Very high	5 Å²	5	37.7 Å²	37.7	5%	0.052	20%	0.195	C	C	.	.	S	Bend	trans	67.9	25.2	-178.8	0	0	0	0	0	113.4	H342 E540	H342-G589 WeakPolarHBondContact CE1-CA 3.23Å; H342-G589 PolarHBondContact N-O 2.8Å; H342-G589 WeakPolarHBondContact ND1-CA 3.45Å; E540-G589 WeakPolarHBondContact O-CA 3.37Å; E540-G589 PolarHBondContact O-N 3.07Å
590	I	95.4	Very high	91	Very high	7 Å²	7	30.5 Å²	30.5	4%	0.036	17%	0.174	C	C	.	.			trans	-76.6	138.5	175.2	-168.5	170.6	0	0	0	109.5	T302 G542 V553 F583 F587 A588	T302-I590 HydrophobicContact CG2-CD1 4.07Å; G542-I590 WeakPolarHBondContact CA-O 3.34Å; G542-I590 VanDerWaalsContact N-CG2 3.35Å; G542-I590 PolarHBondContact N-O 3.49Å; V553-I590 HydrophobicContact CG1-CD1 4.12Å; V553-I590 WeakPolarHBondContact O-CG2 3.39Å; F583-I590 HydrophobicContact CD1-CD1 4.15Å; F583-I590 HydrophobicContact CZ-CD1 3.69Å; F583-I590 HydrophobicContact CE2-CD1 4.3Å; F583-I590 HydrophobicContact CE1-CD1 3.6Å; F587-I590 HydrophobicContact CB-CB 4.5Å; F587-I590 HydrophobicContact CD2-CD1 4.37Å; A588-I590 PolarHBondContact O-N 2.91Å
591	A	96.5	Very high	89.8	Confident	10 Å²	10	31.8 Å²	31.8	8%	0.083	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	146.2	172.5	0	0	0	0	0	109.5	T302 F303 A343 V345	T302-A591 CarbonylContact C-O 3.47Å; T302-A591 VanDerWaalsContact CA-O 3.22Å; T302-A591 WeakPolarHBondContact CA-O 3.45Å; F303-A591 HydrophobicContact CB-CB 4.4Å; F303-A591 PolarHBondContact N-O 3.06Å; F303-A591 PolarHBondContact O-N 2.95Å; A343-A591 WeakPolarHBondContact O-CB 3.47Å; V345-A591 HydrophobicContact CB-CB 4.27Å; V345-A591 HydrophobicContact CG1-CB 3.57Å; V345-A591 HydrophobicContact CG2-CB 3.82Å
592	C	96.8	Very high	87.4	Confident	8 Å²	8	37 Å²	37	5%	0.054	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	154.6	175.1	71.1	0	0	0	0	112.9	L300 I301 T302 V345 C543	L300-C592 HydrophobicContact CD2-CB 4.23Å; I301-C592 CarbonylContact O-C 3.55Å; I301-C592 WeakPolarHBondContact O-CA 3.39Å; I301-C592 VanDerWaalsContact O-CB 3.22Å; I301-C592 WeakPolarHBondContact O-CB 3.46Å; T302-C592 HydrophobicContact CG2-CB 3.9Å; V345-C592 WeakPolarHBondContact CG2-O 3.33Å; C543-C592 PolarHBondContact N-SG 2.87Å
593	T	96.8	Very high	84.3	Confident	14 Å²	14	40.6 Å²	40.6	9%	0.086	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	150.9	-178.9	-159.6	0	0	0	0	110.8	I301 F303 V345 V347 V352 I595	I301-T593 PolarHBondContact N-O 2.97Å; I301-T593 PolarHBondContact O-N 2.98Å; F303-T593 HydrophobicContact CE2-CG2 4.05Å; V345-T593 HydrophobicContact CG2-CG2 4.37Å; V347-T593 HydrophobicContact CG2-CG2 3.55Å; V347-T593 WeakPolarHBondContact CG2-OG1 3.4Å; V352-T593 HydrophobicContact CG1-CG2 4.06Å; V352-T593 HydrophobicContact CG2-CG2 4.11Å; T593-I595 HydrophobicContact CG2-CG2 4.18Å
594	P	95.6	Very high	81.2	Confident	36 Å²	36	54.6 Å²	54.6	23%	0.234	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	133	175.1	35.3	-28.5	0	0	0	110.1	V298 S299 L545 L546	V298-P594 HydrophobicContact CG1-CB 3.74Å; S299-P594 WeakPolarHBondContact O-CA 3.27Å; L545-P594 WeakPolarHBondContact O-CG 3.41Å; L546-P594 HydrophobicContact CD1-CB 4.11Å
595	I	95.1	Very high	80.7	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	160.8	170.9	64.3	173	0	0	0	111.8	V298 S299 I301 V347 N350 V352 P377 T593 L597	V298-I595 CarbonylContact C-O 3.48Å; V298-I595 WeakPolarHBondContact CA-O 3.39Å; S299-I595 PolarHBondContact N-O 3.34Å; S299-I595 PolarHBondContact O-N 3.27Å; I301-I595 HydrophobicContact CD1-CD1 3.21Å; I301-I595 HydrophobicContact CD1-CG1 3.25Å; I301-I595 HydrophobicContact CG1-CD1 4.22Å; I301-I595 HydrophobicContact CG1-CG1 3.82Å; V347-I595 HydrophobicContact CG1-CG2 4.19Å; V347-I595 HydrophobicContact CG2-CG2 3.69Å; N350-I595 WeakPolarHBondContact OD1-CB 3.41Å; V352-I595 HydrophobicContact CG2-CD1 3.86Å; V352-I595 HydrophobicContact CG2-CG2 3.56Å; P377-I595 HydrophobicContact CB-CD1 3.57Å; P377-I595 HydrophobicContact CG-CD1 3.92Å; T593-I595 HydrophobicContact CG2-CG2 4.18Å; I595-L597 HydrophobicContact CG1-CD2 4.27Å; I595-L597 HydrophobicContact CG1-CG 4.45Å; I595-L597 HydrophobicContact CD1-CD2 4.01Å
596	I	94.1	Very high	80.2	Confident	41 Å²	41	53.4 Å²	53.4	21%	0.21	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	126.3	170.6	-60.9	169.8	0	0	0	108.3	I293 V298 N350	I293-I596 HydrophobicContact CB-CG2 4.13Å; I293-I596 HydrophobicContact CG2-CG2 4.16Å; V298-I596 HydrophobicContact CG2-CG1 3.98Å; N350-I596 PolarHBondContact ND2-O 2.98Å; N350-I596 PolarHBondContact OD1-N 2.93Å
597	L	91.8	Very high	79.5	Confident	13 Å²	13	53.7 Å²	53.7	7%	0.068	27%	0.274	C	S	.	.			trans	-105.1	148.4	174.4	-71.3	178	0	0	0	111.3	S295 V297 I301 Y321 L333 P377 I595	S295-L597 WeakPolarHBondContact CB-O 3.39Å; S295-L597 PolarHBondContact OG-O 3.34Å; V297-L597 PolarHBondContact O-N 2.95Å; I301-L597 HydrophobicContact CD1-CD1 4.04Å; I301-L597 HydrophobicContact CD1-CD2 3.84Å; I301-L597 HydrophobicContact CD1-CG 4.13Å; Y321-L597 HydrophobicContact CD2-CD1 3.4Å; Y321-L597 VanDerWaalsContact CD2-CD1 3.4Å; Y321-L597 HydrophobicContact CE2-CD1 3.97Å; Y321-L597 HydrophobicContact CG-CD1 3.96Å; L333-L597 HydrophobicContact CD1-CD1 4.35Å; L333-L597 HydrophobicContact CD2-CD1 4.28Å; L333-L597 HydrophobicContact CD2-CD2 4.08Å; P377-L597 HydrophobicContact CB-CD2 3.92Å; I595-L597 HydrophobicContact CG1-CD2 4.27Å; I595-L597 HydrophobicContact CG1-CG 4.45Å; I595-L597 HydrophobicContact CD1-CD2 4.01Å
598	P	88.8	Confident	78.8	Confident	40 Å²	40	56.6 Å²	56.6	26%	0.26	29%	0.289	S	S	.	.			trans	-63.9	148.2	172.1	27.9	-33.3	0	0	0	110.7	I293 P377 T600	I293-P598 HydrophobicContact CG2-CB 4.09Å; P377-P598 WeakPolarHBondContact O-CD 3.44Å; P598-T600 VanDerWaalsContact C-N 3.27Å; P598-T600 PolarHBondContact O-N 2.81Å
599	Q	81.4	Confident	77.9	Confident	31 Å²	31	59.7 Å²	59.7	15%	0.145	30%	0.303	C	S	.	.			trans	-93.7	18.9	180	-59.9	-172.7	-3.2	0	0	113	L207 K208 N209 S295 T601	L207-Q599 PolarHBondContact O-OE1 3.16Å; K208-Q599 HydrophobicContact CD-CB 4.29Å; N209-Q599 PolarHBondContact N-O 3.25Å; N209-Q599 PolarHBondContact OD1-O 3.19Å; S295-Q599 WeakPolarHBondContact OG-CG 3.41Å; S295-Q599 PolarHBondContact OG-NE2 3.32Å; Q599-T601 PolarHBondContact O-N 3.08Å
600	T	68.4	Low	76.9	Confident	51 Å²	51	63.3 Å²	63.3	31%	0.313	32%	0.32	S	S	.	.			trans	-77.7	114.7	170.9	47.6	0	0	0	0	108	C210 P598 T602	C210-T600 WeakPolarHBondContact O-CG2 3.36Å; P598-T600 VanDerWaalsContact C-N 3.27Å; P598-T600 PolarHBondContact O-N 2.81Å; T600-T602 VanDerWaalsContact C-N 3.28Å; T600-T602 PolarHBondContact O-N 3.27Å
601	T	53.7	Low	75.5	Confident	97 Å²	97	67.4 Å²	67.4	60%	0.595	34%	0.34	S	S	*	.			trans	-65.5	96.5	167	-47.2	0	0	0	0	106.8	N209 Q599 Q603	N209-T601 WeakPolarHBondContact OD1-CB 3.36Å; N209-T601 PolarHBondContact OD1-N 3.19Å; N209-T601 PolarHBondContact OD1-OG1 2.9Å; Q599-T601 PolarHBondContact O-N 3.08Å; T601-Q603 HydrophobicContact CG2-CG 4.17Å; T601-Q603 PolarHBondContact O-N 3.43Å
602	T	40.5	Very low	73.9	Confident	118 Å²	118	71.8 Å²	71.8	72%	0.724	36%	0.36	S	S	*	.			trans	-66.3	85.2	159.4	39.1	0	0	0	0	106.2	T600 R604	T600-T602 VanDerWaalsContact C-N 3.28Å; T600-T602 PolarHBondContact O-N 3.27Å; T602-R604 PolarHBondContact O-N 2.76Å
603	Q	29.5	Very low	72	Confident	181 Å²	181	77.1 Å²	77.1	85%	0.846	39%	0.386	S	S	*	.			trans	-63.8	96.2	149	-77.8	-173.7	-13.3	0	0	105	T601	T601-Q603 HydrophobicContact CG2-CG 4.17Å; T601-Q603 PolarHBondContact O-N 3.43Å
604	R	28.5	Very low	69.8	Low	301 Å²	301	82.8 Å²	82.8	100%	1.136	41%	0.413	S	S	*	.			trans	-83	0	153.4	-87.6	-171.2	176.2	179	0.7	108.3	T602	T602-R604 PolarHBondContact O-N 2.76Å

Retrieved 604 of 604 residues in 2006.8 ms (Link to these results)

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