A0A060WYY4_ONCMY Loading...

Creatine kinase S-type, mitochondrial

Reversibly catalyzes the transfer of phosphate between ATP and various phosphogens (e.g. creatine phosphate). Creatine kinase isoenzymes play a central role in energy transduction in tissues with large, fluctuating energy demands, such as skeletal muscle, heart, brain and spermatozoa.

AlphaFold DB , UniProt , Accession A0A060WYY4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 417 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	37.2	Very low	31.9	Very low	242 Å²	242	145.9 Å²	145.9	100%	1.192	81%	0.811	S	S	*	*				0	93.5	0	-65.9	-150.7	-80.4	0	0	107.2
2	A	32.1	Very low	31.9	Very low	83 Å²	83	152.5 Å²	152.5	69%	0.686	81%	0.814	S	S	*	*				83	92.5	116.4	0	0	0	0	0	111.5
3	T	29.7	Very low	31.8	Very low	129 Å²	129	151 Å²	151	79%	0.791	81%	0.806	S	S	*	*				77.5	147.3	101.3	50	0	0	0	0	113.5
4	S	33.7	Very low	31.7	Very low	90 Å²	90	150.5 Å²	150.5	63%	0.629	81%	0.812	S	S	*	*			cis	178	172.3	-15.5	-86.1	0	0	0	0	105.8
5	F	31.7	Very low	32	Very low	189 Å²	189	147 Å²	147	83%	0.829	81%	0.812	S	S	*	*			trans	81	110.8	163.2	-70.4	-85.4	0	0	0	117.3
6	T	34.8	Very low	32	Very low	122 Å²	122	145.6 Å²	145.6	75%	0.748	81%	0.808	S	S	*	*				61.4	105.5	53.2	-40.4	0	0	0	0	114.8
7	R	31.4	Very low	31.8	Very low	241 Å²	241	146.5 Å²	146.5	91%	0.909	81%	0.81	S	S	*	*				179.1	129.1	116	-110.8	-178.4	179.5	169.3	-0.3	113.6
8	M	33.2	Very low	32	Very low	167 Å²	167	147.8 Å²	147.8	82%	0.823	82%	0.815	S	S	*	*			trans	-70	147.2	153.2	179.4	-179.3	158.7	0	0	109.7
9	M	29.9	Very low	32.1	Very low	157 Å²	157	144.8 Å²	144.8	77%	0.773	81%	0.811	S	S	*	*			trans	166.9	121.2	136.5	-87	-79.3	-86.3	0	0	113.3
10	S	30	Very low	32.3	Very low	111 Å²	111	143.2 Å²	143.2	78%	0.776	81%	0.81	S	S	*	*			trans	53.4	140.2	136.1	86.7	0	0	0	0	122.8
11	G	27.3	Very low	32.5	Very low	74 Å²	74	144 Å²	144	76%	0.763	81%	0.811	S	S	*	*			trans	139.2	91.6	132.5	0	0	0	0	0	117.6
12	R	31.3	Very low	32.5	Very low	225 Å²	225	135 Å²	135	85%	0.849	78%	0.78	S	S	*	*			trans	-13.6	142.7	158.3	-68.7	168	94.4	165	5.7	120.6
13	N	31.4	Very low	32.9	Very low	133 Å²	133	137.5 Å²	137.5	71%	0.711	79%	0.787	S	S	*	*			trans	73.2	109.5	136	-70.9	4.5	0	0	0	120.9
14	T	29.9	Very low	33.4	Very low	144 Å²	144	133.5 Å²	133.5	88%	0.883	77%	0.772	S	S	*	*				-148.6	114	129	-3.2	0	0	0	0	110.2
15	A	37	Very low	33.8	Very low	98 Å²	98	133.5 Å²	133.5	81%	0.81	77%	0.768	S	S	*	*			trans	-79.8	131.4	168.7	0	0	0	0	0	109.3
16	V	30.6	Very low	34.3	Very low	125 Å²	125	132.7 Å²	132.7	76%	0.758	77%	0.769	S	S	*	*			trans	-145.5	113.9	160.1	178.8	0	0	0	0	110.1
17	L	28.7	Very low	34.7	Very low	161 Å²	161	129.3 Å²	129.3	84%	0.843	75%	0.753	S	S	*	*			trans	61	115.5	153.3	-87.6	84.1	0	0	0	122.6
18	L	36	Very low	35.2	Very low	170 Å²	170	121.2 Å²	121.2	89%	0.89	73%	0.731	S	S	*	*			trans	-49.5	137.4	150.9	-82.9	86.7	0	0	0	112.8
19	A	34	Very low	35.4	Very low	90 Å²	90	115.4 Å²	115.4	74%	0.744	71%	0.714	S	S	*	*			trans	-149.3	116	135.2	0	0	0	0	0	110.7
20	S	35.6	Very low	35.9	Very low	112 Å²	112	116.2 Å²	116.2	78%	0.783	71%	0.709	S	S	*	*			trans	57.2	72.6	156.3	65.2	0	0	0	0	119.4
21	L	37.2	Very low	36.4	Very low	160 Å²	160	117.1 Å²	117.1	84%	0.838	71%	0.705	S	S	*	*			trans	-116.2	106.3	144.7	-75.7	171.9	0	0	0	107.5
22	G	36.1	Very low	37.3	Very low	53 Å²	53	119.8 Å²	119.8	55%	0.546	70%	0.699	S	S	.	*			trans	-56.7	147.9	-177.3	0	0	0	0	0	111.5	G24 T25	G22-G24 PolarHBondContact O-N 2.61Å; G22-T25 PolarHBondContact O-N 3.36Å; G22-T25 PolarHBondContact O-OG1 3.32Å
23	V	40.9	Very low	37.9	Very low	136 Å²	136	113.7 Å²	113.7	82%	0.824	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.3	-12.3	172.9	-178.3	0	0	0	0	112.8
24	G	40.3	Very low	38.6	Very low	46 Å²	46	113 Å²	113	47%	0.474	68%	0.683	S	S	.	*	H	α-helix	trans	-67.7	-32.1	175.5	0	0	0	0	0	116	G22 T28	G22-G24 PolarHBondContact O-N 2.61Å; G24-T28 WeakPolarHBondContact O-CB 3.26Å; G24-T28 PolarHBondContact O-N 2.96Å; G24-T28 VanDerWaalsContact O-N 3.1Å; G24-T28 PolarHBondContact O-OG1 2.76Å
25	T	43.2	Very low	39.4	Very low	89 Å²	89	109.1 Å²	109.1	55%	0.546	66%	0.662	S	S	.	*	H	α-helix	trans	-80	-32.5	-173.1	18.4	0	0	0	0	113.9	G22 G29	G22-T25 PolarHBondContact O-N 3.36Å; G22-T25 PolarHBondContact O-OG1 3.32Å; T25-G29 PolarHBondContact O-N 3.04Å; T25-G29 VanDerWaalsContact O-N 3.11Å
26	M	41.4	Very low	40.2	Very low	172 Å²	172	110.4 Å²	110.4	85%	0.847	66%	0.655	S	S	*	*	H	α-helix	trans	-78.3	-32	175.7	-68.7	-138.8	-70.9	0	0	112.8	G29 Y30	M26-G29 PolarHBondContact O-N 3.46Å; M26-Y30 PolarHBondContact O-N 3.24Å
27	A	42.9	Very low	41.6	Very low	51 Å²	51	111.6 Å²	111.6	42%	0.421	66%	0.656	S	S	.	*	H	α-helix	trans	-68.9	-34.6	171.7	0	0	0	0	0	112	L31	A27-L31 WeakPolarHBondContact O-CB 3.34Å; A27-L31 PolarHBondContact O-N 2.85Å
28	T	42.9	Very low	43.1	Very low	72 Å²	72	106.8 Å²	106.8	44%	0.442	63%	0.63	S	S	.	*	H	α-helix	trans	-70.8	-36.1	175.8	-51	0	0	0	0	111.6	G24 Y30 M32	G24-T28 WeakPolarHBondContact O-CB 3.26Å; G24-T28 PolarHBondContact O-N 2.96Å; G24-T28 VanDerWaalsContact O-N 3.1Å; G24-T28 PolarHBondContact O-OG1 2.76Å; T28-Y30 PolarHBondContact O-N 3.22Å; T28-M32 HydrophobicContact CG2-CE 4.16Å; T28-M32 HydrophobicContact CG2-CG 4.37Å; T28-M32 HydrophobicContact CG2-SD 4.42Å; T28-M32 WeakPolarHBondContact O-CB 3.39Å; T28-M32 VanDerWaalsContact O-CG 3.29Å; T28-M32 WeakPolarHBondContact O-CG 3.04Å; T28-M32 PolarHBondContact O-N 2.98Å; T28-M32 VanDerWaalsContact O-N 3.08Å
29	G	37.1	Very low	44.7	Very low	45 Å²	45	101.3 Å²	101.3	46%	0.464	61%	0.606	S	S	.	*	H	α-helix	trans	-65.2	-35.8	175.2	0	0	0	0	0	113.9	T25 M26 T33	T25-G29 PolarHBondContact O-N 3.04Å; T25-G29 VanDerWaalsContact O-N 3.11Å; M26-G29 PolarHBondContact O-N 3.46Å; G29-T33 PolarHBondContact O-OG1 3.07Å
30	Y	39.3	Very low	46.4	Very low	173 Å²	173	101 Å²	101	68%	0.678	60%	0.604	S	S	*	*	H	α-helix	trans	-78.6	-34.9	178	-163.4	-94.5	0	0	0	112.5	M26 T28 M32 T33	M26-Y30 PolarHBondContact O-N 3.24Å; T28-Y30 PolarHBondContact O-N 3.22Å; Y30-M32 VanDerWaalsContact C-N 3.34Å; Y30-M32 PolarHBondContact O-N 2.7Å; Y30-T33 PolarHBondContact O-OG1 3.45Å
31	L	42	Very low	47.9	Very low	130 Å²	130	99.9 Å²	99.9	68%	0.681	59%	0.586	S	S	*	*	H	α-helix	trans	-73.5	-21.7	174.4	-80.8	162.6	0	0	0	113.9	A27 S35	A27-L31 WeakPolarHBondContact O-CB 3.34Å; A27-L31 PolarHBondContact O-N 2.85Å; L31-S35 PolarHBondContact O-OG 3.43Å
32	M	45	Very low	49.5	Very low	130 Å²	130	96.7 Å²	96.7	64%	0.64	57%	0.567	S	S	*	*	H	α-helix	trans	-87.4	-7.9	178	-73.8	-155	170.2	0	0	114.6	T28 Y30	T28-M32 HydrophobicContact CG2-CE 4.16Å; T28-M32 HydrophobicContact CG2-CG 4.37Å; T28-M32 HydrophobicContact CG2-SD 4.42Å; T28-M32 WeakPolarHBondContact O-CB 3.39Å; T28-M32 VanDerWaalsContact O-CG 3.29Å; T28-M32 WeakPolarHBondContact O-CG 3.04Å; T28-M32 PolarHBondContact O-N 2.98Å; T28-M32 VanDerWaalsContact O-N 3.08Å; Y30-M32 VanDerWaalsContact C-N 3.34Å; Y30-M32 PolarHBondContact O-N 2.7Å
33	T	44.2	Very low	51.1	Low	97 Å²	97	100.3 Å²	100.3	60%	0.595	56%	0.564	S	S	*	*	H	α-helix	trans	-91.5	-33.3	177.2	9	0	0	0	0	112.9	G29 Y30	G29-T33 PolarHBondContact O-OG1 3.07Å; Y30-T33 PolarHBondContact O-OG1 3.45Å
34	D	45.8	Very low	52.6	Low	120 Å²	120	96 Å²	96	64%	0.642	53%	0.533	S	S	*	.	H	α-helix	trans	-83.5	-16.9	179.3	-78.4	-20.4	0	0	0	114.3	N36	D34-N36 VanDerWaalsContact C-N 3.26Å; D34-N36 PolarHBondContact O-N 2.82Å
35	S	48.3	Very low	54.6	Low	61 Å²	61	99 Å²	99	43%	0.427	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-78	-5.6	-178.8	35.3	0	0	0	0	114.3	L31	L31-S35 PolarHBondContact O-OG 3.43Å
36	N	53	Low	56.6	Low	125 Å²	125	100.1 Å²	100.1	67%	0.668	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-94.9	5.9	-176.7	-88.5	-28.6	0	0	0	115.5	D34	D34-N36 VanDerWaalsContact C-N 3.26Å; D34-N36 PolarHBondContact O-N 2.82Å
37	I	60.1	Low	59	Low	151 Å²	151	99.1 Å²	99.1	77%	0.774	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-134.3	37.8	177.5	-35.1	179.5	0	0	0	112.1
38	L	60.2	Low	61.4	Low	59 Å²	59	100.3 Å²	100.3	31%	0.309	53%	0.527	S	S	.	.			trans	-91.1	123.6	163.2	-63.6	178.4	0	0	0	109.1	E42 R43 L46	L38-E42 HydrophobicContact CB-CB 4.04Å; L38-E42 HydrophobicContact CD2-CB 4.03Å; L38-R43 HydrophobicContact CB-CG 3.78Å; L38-R43 PolarHBondContact O-NE 3.2Å; L38-L46 HydrophobicContact CD1-CD1 4.29Å; L38-L46 HydrophobicContact CD1-CD2 4.3Å
39	S	70.3	Confident	63.9	Low	55 Å²	55	98.7 Å²	98.7	39%	0.385	52%	0.517	S	S	.	.			trans	-55.9	158.1	168.1	65.2	0	0	0	0	110.6	E41 E42 R43	S39-E41 PolarHBondContact O-N 3.21Å; S39-E41 VanDerWaalsContact O-N 3.16Å; S39-E42 VanDerWaalsContact CB-OE2 3.29Å; S39-E42 WeakPolarHBondContact CB-OE2 3.49Å; S39-E42 PolarHBondContact N-OE2 3.16Å; S39-E42 PolarHBondContact O-N 3.24Å; S39-E42 VanDerWaalsContact O-N 3.09Å; S39-E42 VanDerWaalsContact OG-CD 3.27Å; S39-E42 VanDerWaalsContact OG-CG 3.26Å; S39-E42 WeakPolarHBondContact OG-CG 3.5Å; S39-E42 PolarHBondContact OG-N 3.08Å; S39-E42 PolarHBondContact OG-OE2 3.4Å; S39-R43 WeakPolarHBondContact O-CG 3.35Å; S39-R43 PolarHBondContact O-N 3.35Å
40	A	69	Low	66.6	Low	84 Å²	84	101 Å²	101	69%	0.694	53%	0.526	S	S	*	.	H	α-helix	trans	-55.9	-33.6	177.7	0	0	0	0	0	112.1	R44	A40-R44 PolarHBondContact O-N 3.11Å; A40-R44 VanDerWaalsContact O-N 3.13Å
41	E	67.4	Low	69.3	Low	89 Å²	89	95.8 Å²	95.8	42%	0.416	52%	0.519	S	S	.	.	H	α-helix	trans	-66.7	-45.5	176	-164.7	-169.9	151.3	0	0	112.1	S39 R43 R44 K45	S39-E41 PolarHBondContact O-N 3.21Å; S39-E41 VanDerWaalsContact O-N 3.16Å; E41-R43 VanDerWaalsContact C-N 3.31Å; E41-R43 PolarHBondContact O-N 3.46Å; E41-R44 PolarHBondContact O-N 3.42Å; E41-K45 PolarHBondContact O-N 3.1Å; E41-K45 IonicContact OE1-NZ 3.69Å; E41-K45 PolarHBondContact OE1-NZ 3.19Å
42	E	69.8	Low	71.9	Confident	93 Å²	93	92.8 Å²	92.8	44%	0.435	50%	0.503	S	S	.	.	H	α-helix	trans	-65.7	-34.6	177.4	-71.5	163	135.6	0	0	112	L38 S39 K45	L38-E42 HydrophobicContact CB-CB 4.04Å; L38-E42 HydrophobicContact CD2-CB 4.03Å; S39-E42 VanDerWaalsContact CB-OE2 3.29Å; S39-E42 WeakPolarHBondContact CB-OE2 3.49Å; S39-E42 PolarHBondContact N-OE2 3.16Å; S39-E42 PolarHBondContact O-N 3.24Å; S39-E42 VanDerWaalsContact O-N 3.09Å; S39-E42 VanDerWaalsContact OG-CD 3.27Å; S39-E42 VanDerWaalsContact OG-CG 3.26Å; S39-E42 WeakPolarHBondContact OG-CG 3.5Å; S39-E42 PolarHBondContact OG-N 3.08Å; S39-E42 PolarHBondContact OG-OE2 3.4Å; E42-K45 PolarHBondContact O-N 3.25Å
43	R	70.8	Confident	74.5	Confident	129 Å²	129	89.8 Å²	89.8	49%	0.487	49%	0.485	S	S	.	.	H	α-helix	trans	-66.7	-38.1	174.5	-67.2	-177.9	-163.7	-146.6	-0.4	112.5	L38 S39 E41 K45 L46	L38-R43 HydrophobicContact CB-CG 3.78Å; L38-R43 PolarHBondContact O-NE 3.2Å; S39-R43 WeakPolarHBondContact O-CG 3.35Å; S39-R43 PolarHBondContact O-N 3.35Å; E41-R43 VanDerWaalsContact C-N 3.31Å; E41-R43 PolarHBondContact O-N 3.46Å; R43-K45 VanDerWaalsContact C-N 3.29Å; R43-K45 PolarHBondContact O-N 3Å; R43-L46 HydrophobicContact CB-CD1 4.35Å; R43-L46 VanDerWaalsContact O-CB 3.27Å; R43-L46 WeakPolarHBondContact O-CB 3.43Å; R43-L46 WeakPolarHBondContact O-CG 3.25Å; R43-L46 PolarHBondContact O-N 2.97Å
44	R	72.5	Confident	77	Confident	46 Å²	46	86.1 Å²	86.1	17%	0.174	46%	0.463	C	S	.	.	H	α-helix	trans	-63	-39.1	176.8	-164.3	167.1	177.8	-138.7	-6	110.5	A40 E41 L46 R76 D87	A40-R44 PolarHBondContact O-N 3.11Å; A40-R44 VanDerWaalsContact O-N 3.13Å; E41-R44 PolarHBondContact O-N 3.42Å; R44-L46 PolarHBondContact O-N 3.45Å; R44-L46 VanDerWaalsContact O-N 3.12Å; R44-R76 PolarHBondContact NH1-O 3.2Å; R44-R76 PolarHBondContact NH2-O 3Å; R44-R76 VanDerWaalsContact O-CZ 3.25Å; R44-R76 PolarHBondContact O-NH1 2.97Å; R44-R76 VanDerWaalsContact O-NH1 3.09Å; R44-R76 PolarHBondContact O-NH2 2.99Å; R44-D87 IonicContact CZ-OD2 3.12Å; R44-D87 VanDerWaalsContact CZ-OD2 3.24Å; R44-D87 IonicContact NE-OD2 3.82Å; R44-D87 PolarHBondContact NE-OD2 3.1Å; R44-D87 IonicContact NH2-OD1 2.8Å; R44-D87 IonicContact NH2-OD2 3.75Å; R44-D87 PolarHBondContact NH2-OD2 2.92Å
45	K	81.3	Confident	79.5	Confident	108 Å²	108	84.7 Å²	84.7	47%	0.47	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-6.5	178	-65.5	174.4	-171.1	168	0	114.8	E41 E42 R43 Y47	E41-K45 PolarHBondContact O-N 3.1Å; E41-K45 IonicContact OE1-NZ 3.69Å; E41-K45 PolarHBondContact OE1-NZ 3.19Å; E42-K45 PolarHBondContact O-N 3.25Å; R43-K45 VanDerWaalsContact C-N 3.29Å; R43-K45 PolarHBondContact O-N 3Å; K45-Y47 VanDerWaalsContact C-N 3.3Å; K45-Y47 PolarHBondContact O-N 3.1Å
46	L	86.5	Confident	81.9	Confident	112 Å²	112	83 Å²	83	59%	0.586	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-28.4	178.2	-67.3	172.8	0	0	0	113.6	L38 R43 R44	L38-L46 HydrophobicContact CD1-CD1 4.29Å; L38-L46 HydrophobicContact CD1-CD2 4.3Å; R43-L46 HydrophobicContact CB-CD1 4.35Å; R43-L46 VanDerWaalsContact O-CB 3.27Å; R43-L46 WeakPolarHBondContact O-CB 3.43Å; R43-L46 WeakPolarHBondContact O-CG 3.25Å; R43-L46 PolarHBondContact O-N 2.97Å; R44-L46 PolarHBondContact O-N 3.45Å; R44-L46 VanDerWaalsContact O-N 3.12Å
47	Y	89.9	Confident	84	Confident	151 Å²	151	87.1 Å²	87.1	59%	0.592	45%	0.448	S	S	*	.	S	Bend	trans	-109.9	147	-179	-65.1	-81.6	0	0	0	110.9	K45 R76	K45-Y47 VanDerWaalsContact C-N 3.3Å; K45-Y47 PolarHBondContact O-N 3.1Å; Y47-R76 PolarHBondContact O-NH1 3.28Å; Y47-R76 PolarHBondContact O-NH2 2.95Å
48	P	94.1	Very high	85.7	Confident	77 Å²	77	91 Å²	91	50%	0.5	45%	0.453	S	S	.	.			trans	-61.6	144.7	173.7	27.9	-34.4	0	0	0	109.5	S50 A51	P48-S50 PolarHBondContact O-N 3.09Å; P48-A51 HydrophobicContact CG-CB 4.23Å; P48-A51 WeakPolarHBondContact O-CB 3.48Å; P48-A51 PolarHBondContact O-N 3.31Å
49	P	94.6	Very high	87.5	Confident	38 Å²	38	89.8 Å²	89.8	25%	0.247	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-54.1	-29.6	-177.5	-29.9	35.4	0	0	0	114.9	A51 D52 Y53 Y72 R76	P49-A51 PolarHBondContact O-N 3.05Å; P49-D52 PolarHBondContact O-N 2.88Å; P49-Y53 PolarHBondContact O-N 3.45Å; P49-Y72 WeakPolarHBondContact O-CE1 3.35Å; P49-R76 HydrophobicContact CB-CB 4.46Å
50	S	95.4	Very high	88.6	Confident	94 Å²	94	91.4 Å²	91.4	66%	0.657	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-63.7	-23	176.9	56.8	0	0	0	0	114.2	P48 D52 Y53	P48-S50 PolarHBondContact O-N 3.09Å; S50-D52 VanDerWaalsContact C-N 3.33Å; S50-Y53 WeakPolarHBondContact O-CB 3.29Å; S50-Y53 PolarHBondContact O-N 3.26Å
51	A	96.2	Very high	90	Very high	62 Å²	62	87.4 Å²	87.4	51%	0.512	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-72.9	-26.6	179	0	0	0	0	0	112.7	P48 P49	P48-A51 HydrophobicContact CG-CB 4.23Å; P48-A51 WeakPolarHBondContact O-CB 3.48Å; P48-A51 PolarHBondContact O-N 3.31Å; P49-A51 PolarHBondContact O-N 3.05Å
52	D	96.4	Very high	91.4	Very high	67 Å²	67	83.3 Å²	83.3	36%	0.358	40%	0.398	S	S	.	.	S	Bend	trans	-95.8	0.5	175.9	-71.9	-15.4	0	0	0	112.9	P49 S50 Y72 R76	P49-D52 PolarHBondContact O-N 2.88Å; S50-D52 VanDerWaalsContact C-N 3.33Å; D52-Y72 HydrophobicContact CB-CE1 4.06Å; D52-Y72 VanDerWaalsContact CB-OH 3.3Å; D52-Y72 WeakPolarHBondContact CB-OH 3.44Å; D52-Y72 PolarHBondContact O-OH 3.15Å; D52-R76 IonicContact OD2-CZ 3.41Å; D52-R76 IonicContact OD2-NE 2.72Å; D52-R76 PolarHBondContact OD2-NE 3.11Å; D52-R76 IonicContact OD2-NH2 3.65Å; D52-R76 PolarHBondContact OD2-NH2 2.8Å
53	Y	98.1	Very high	92.8	Very high	68 Å²	68	78.9 Å²	78.9	27%	0.267	38%	0.377	S	S	.	.			trans	-62.4	126.6	-178.6	-168.7	-93.4	0	0	0	110.7	P49 S50 L67 T68 P69 Y72	P49-Y53 PolarHBondContact O-N 3.45Å; S50-Y53 WeakPolarHBondContact O-CB 3.29Å; S50-Y53 PolarHBondContact O-N 3.26Å; Y53-L67 HydrophobicContact CE2-CD2 4.16Å; Y53-L67 HydrophobicContact CE2-CG 4.11Å; Y53-L67 PolarHBondContact OH-O 3.36Å; Y53-T68 VanDerWaalsContact CE2-C 3.49Å; Y53-T68 WeakPolarHBondContact OH-CA 3.38Å; Y53-P69 HydrophobicContact CE1-CG 4.42Å; Y53-P69 HydrophobicContact CE2-CB 4.36Å; Y53-P69 HydrophobicContact CE2-CG 4.13Å; Y53-Y72 AromaticContact CD2-CD1 3.78Å; Y53-Y72 HydrophobicContact CD2-CD1 3.78Å; Y53-Y72 HydrophobicContact CD2-CD2 4.31Å; Y53-Y72 AromaticContact CD2-CG 3.61Å; Y53-Y72 HydrophobicContact CD2-CG 3.61Å; Y53-Y72 HydrophobicContact CE2-CG 4.1Å
54	P	98.1	Very high	94.1	Very high	19 Å²	19	73.5 Å²	73.5	12%	0.123	36%	0.36	C	S	.	.			trans	-70.8	144.9	-173.4	27.9	-35.4	0	0	0	112.5	L56 L67 I90 V94	P54-L56 HydrophobicContact CB-CD1 4.45Å; P54-L56 HydrophobicContact CB-CD2 4.12Å; P54-L56 HydrophobicContact CB-CG 4.03Å; P54-L56 HydrophobicContact CG-CD1 3.83Å; P54-L56 HydrophobicContact CG-CD2 4.33Å; P54-L56 HydrophobicContact CG-CG 3.95Å; P54-L56 PolarHBondContact O-N 2.93Å; P54-L67 HydrophobicContact CG-CD2 3.79Å; P54-I90 HydrophobicContact CG-CD1 4.3Å; P54-V94 HydrophobicContact CB-CG1 4.24Å; P54-V94 HydrophobicContact CB-CG2 3.88Å; P54-V94 HydrophobicContact CG-CG2 4.28Å
55	D	98.3	Very high	95.2	Very high	91 Å²	91	76.5 Å²	76.5	49%	0.487	38%	0.376	S	S	.	.			trans	-78.1	102.7	168.7	-178	7.3	0	0	0	110.5	R57 H59	D55-R57 WeakPolarHBondContact OD1-CB 3.17Å; D55-R57 VanDerWaalsContact OD1-CG 3.26Å; D55-R57 WeakPolarHBondContact OD1-CG 3.2Å; D55-R57 IonicContact OD1-CZ 3.38Å; D55-R57 PolarHBondContact OD1-N 2.89Å; D55-R57 IonicContact OD1-NE 3.28Å; D55-R57 PolarHBondContact OD1-NE 3.03Å; D55-R57 IonicContact OD1-NH2 2.67Å; D55-R57 IonicContact OD2-CZ 2.8Å; D55-R57 IonicContact OD2-NE 3.42Å; D55-R57 PolarHBondContact OD2-NE 2.75Å; D55-R57 IonicContact OD2-NH2 2.97Å; D55-R57 PolarHBondContact OD2-NH2 3.44Å; D55-H59 PolarHBondContact O-CE1 3.16Å
56	L	97.9	Very high	96	Very high	25 Å²	25	72.2 Å²	72.2	13%	0.131	36%	0.359	C	S	.	.			trans	-108.9	16	-176	-60.7	175	0	0	0	113.4	P54 R58 H59 M63 A64 L67 V94	P54-L56 HydrophobicContact CB-CD1 4.45Å; P54-L56 HydrophobicContact CB-CD2 4.12Å; P54-L56 HydrophobicContact CB-CG 4.03Å; P54-L56 HydrophobicContact CG-CD1 3.83Å; P54-L56 HydrophobicContact CG-CD2 4.33Å; P54-L56 HydrophobicContact CG-CG 3.95Å; P54-L56 PolarHBondContact O-N 2.93Å; L56-R58 PolarHBondContact O-N 3.43Å; L56-H59 HydrophobicContact CB-CB 4.34Å; L56-H59 HydrophobicContact CD2-CB 4.35Å; L56-H59 PolarHBondContact O-N 2.86Å; L56-H59 VanDerWaalsContact O-N 3.16Å; L56-M63 HydrophobicContact CD1-SD 4.27Å; L56-M63 HydrophobicContact CD2-CE 4.34Å; L56-A64 HydrophobicContact CB-CB 4.26Å; L56-A64 HydrophobicContact CD1-CB 4.11Å; L56-A64 HydrophobicContact CD2-CB 4.4Å; L56-L67 HydrophobicContact CD1-CB 4.45Å; L56-L67 HydrophobicContact CD1-CD2 3.89Å; L56-V94 HydrophobicContact CD2-CG2 4.29Å
57	R	97.1	Very high	96.6	Very high	212 Å²	212	67.3 Å²	67.3	80%	0.8	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-20.1	-173.3	-70.7	176.2	-66.3	173.4	0.1	114.5	D55	D55-R57 WeakPolarHBondContact OD1-CB 3.17Å; D55-R57 VanDerWaalsContact OD1-CG 3.26Å; D55-R57 WeakPolarHBondContact OD1-CG 3.2Å; D55-R57 IonicContact OD1-CZ 3.38Å; D55-R57 PolarHBondContact OD1-N 2.89Å; D55-R57 IonicContact OD1-NE 3.28Å; D55-R57 PolarHBondContact OD1-NE 3.03Å; D55-R57 IonicContact OD1-NH2 2.67Å; D55-R57 IonicContact OD2-CZ 2.8Å; D55-R57 IonicContact OD2-NE 3.42Å; D55-R57 PolarHBondContact OD2-NE 2.75Å; D55-R57 IonicContact OD2-NH2 2.97Å; D55-R57 PolarHBondContact OD2-NH2 3.44Å
58	R	95.9	Very high	97	Very high	232 Å²	232	62.8 Å²	62.8	88%	0.875	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.1	17.7	-177.2	-62.2	-176	124.3	-175.7	-0.7	112.7	L56	L56-R58 PolarHBondContact O-N 3.43Å
59	H	97	Very high	97.2	Very high	34 Å²	34	63.5 Å²	63.5	16%	0.157	33%	0.327	C	S	.	.			trans	-103.6	138.1	-172.6	-67.3	59.1	0	0	0	111.6	D55 L56 A64 G93 V94 P97	D55-H59 PolarHBondContact O-CE1 3.16Å; L56-H59 HydrophobicContact CB-CB 4.34Å; L56-H59 HydrophobicContact CD2-CB 4.35Å; L56-H59 PolarHBondContact O-N 2.86Å; L56-H59 VanDerWaalsContact O-N 3.16Å; H59-A64 HydrophobicContact CB-CB 3.71Å; H59-G93 PolarHBondContact CD2-O 3.47Å; H59-V94 PolarHBondContact NE2-O 2.9Å; H59-P97 CarbonylContact C-O 3.54Å; H59-P97 WeakPolarHBondContact CA-O 3.32Å; H59-P97 VanDerWaalsContact CD2-CA 3.45Å; H59-P97 WeakPolarHBondContact CD2-CA 3.46Å
60	N	95.3	Very high	97.4	Very high	88 Å²	88	65.5 Å²	65.5	47%	0.471	35%	0.346	S	S	.	.			trans	-130.1	73.7	177	-179.1	25.8	0	0	0	109.7	H65 P97	N60-H65 PolarHBondContact OD1-CE1 2.93Å; N60-P97 PolarHBondContact N-O 3.49Å
61	N	96.7	Very high	97.5	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-140.9	160.4	172.4	62.4	58.8	0	0	0	109.7	M63 A64 H65 G93 N96 T104	N61-M63 VanDerWaalsContact C-N 3.31Å; N61-M63 PolarHBondContact O-N 3.44Å; N61-M63 PolarHBondContact OD1-N 3.35Å; N61-A64 PolarHBondContact O-N 3.11Å; N61-A64 WeakPolarHBondContact OD1-CB 3.34Å; N61-A64 PolarHBondContact OD1-N 2.89Å; N61-H65 PolarHBondContact O-N 3.1Å; N61-G93 PolarHBondContact ND2-O 2.99Å; N61-N96 PolarHBondContact ND2-O 3.25Å; N61-T104 WeakPolarHBondContact CA-O 3.11Å; N61-T104 WeakPolarHBondContact CB-O 3.14Å; N61-T104 WeakPolarHBondContact CB-OG1 3.34Å
62	C	97.4	Very high	97.7	Very high	3 Å²	3	59.6 Å²	59.6	2%	0.02	30%	0.298	C	S	.	.	H	α-helix	trans	-59.6	-39.9	-174.4	-63.9	0	0	0	0	112.9	H65 S66 T104 V105 V125 D128	C62-H65 PolarHBondContact O-N 3.24Å; C62-S66 WeakPolarHBondContact O-CB 3.34Å; C62-S66 PolarHBondContact O-N 3.21Å; C62-S66 VanDerWaalsContact O-N 3.17Å; C62-S66 PolarHBondContact O-OG 3.33Å; C62-T104 PolarHBondContact N-O 3.38Å; C62-V105 WeakPolarHBondContact CB-O 3.31Å; C62-V105 PolarHBondContact N-O 3.06Å; C62-V125 HydrophobicContact CB-CG1 3.93Å; C62-D128 PolarHBondContact SG-OD2 3.01Å
63	M	98.5	Very high	97.7	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-58.5	-50.3	176.6	179.6	-77.2	-67.6	0	0	110.7	L56 N61 H65 S66 L67 I90 V94 V105 G106 M107	L56-M63 HydrophobicContact CD1-SD 4.27Å; L56-M63 HydrophobicContact CD2-CE 4.34Å; N61-M63 VanDerWaalsContact C-N 3.31Å; N61-M63 PolarHBondContact O-N 3.44Å; N61-M63 PolarHBondContact OD1-N 3.35Å; M63-H65 VanDerWaalsContact C-N 3.28Å; M63-H65 PolarHBondContact O-N 2.97Å; M63-S66 PolarHBondContact O-N 3.26Å; M63-L67 WeakPolarHBondContact O-CB 3Å; M63-L67 PolarHBondContact O-N 2.9Å; M63-L67 HydrophobicContact SD-CB 4.13Å; M63-L67 HydrophobicContact SD-CD2 4.04Å; M63-I90 HydrophobicContact CE-CB 4Å; M63-I90 HydrophobicContact CG-CB 4.03Å; M63-I90 HydrophobicContact CG-CG2 3.7Å; M63-I90 HydrophobicContact SD-CB 3.95Å; M63-I90 HydrophobicContact SD-CG2 4.02Å; M63-V94 HydrophobicContact CE-CG2 4.15Å; M63-V105 WeakPolarHBondContact CB-O 3.4Å; M63-V105 PolarHBondContact N-O 2.66Å; M63-G106 WeakPolarHBondContact CB-O 3.4Å; M63-M107 HydrophobicContact CB-CB 4.24Å; M63-M107 HydrophobicContact CB-CG 4.25Å; M63-M107 HydrophobicContact CB-SD 4.33Å; M63-M107 HydrophobicContact CG-CB 4.12Å; M63-M107 HydrophobicContact CG-CG 4.44Å; M63-M107 HydrophobicContact CG-SD 4.25Å
64	A	97.9	Very high	97.7	Very high	16 Å²	16	60.6 Å²	60.6	13%	0.132	31%	0.31	C	S	.	.	H	α-helix	trans	-63.2	-32.7	-178	0	0	0	0	0	113.4	L56 H59 N61 S66	L56-A64 HydrophobicContact CB-CB 4.26Å; L56-A64 HydrophobicContact CD1-CB 4.11Å; L56-A64 HydrophobicContact CD2-CB 4.4Å; H59-A64 HydrophobicContact CB-CB 3.71Å; N61-A64 PolarHBondContact O-N 3.11Å; N61-A64 WeakPolarHBondContact OD1-CB 3.34Å; N61-A64 PolarHBondContact OD1-N 2.89Å; A64-S66 VanDerWaalsContact C-N 3.33Å
65	H	96.9	Very high	97.7	Very high	109 Å²	109	59.7 Å²	59.7	51%	0.505	30%	0.304	S	S	.	.	H	α-helix	trans	-74.7	-23.1	174.8	-65.7	174.3	0	0	0	113.6	N60 N61 C62 M63 K103	N60-H65 PolarHBondContact OD1-CE1 2.93Å; N61-H65 PolarHBondContact O-N 3.1Å; C62-H65 PolarHBondContact O-N 3.24Å; M63-H65 VanDerWaalsContact C-N 3.28Å; M63-H65 PolarHBondContact O-N 2.97Å; H65-K103 PolarHBondContact ND1-NZ 3.5Å
66	S	97.9	Very high	97.7	Very high	18 Å²	18	55.4 Å²	55.4	13%	0.126	28%	0.281	C	S	.	.	H	α-helix	trans	-99.7	-25.6	-174.9	-55.1	0	0	0	0	112.9	C62 M63 A64 I71 V125	C62-S66 WeakPolarHBondContact O-CB 3.34Å; C62-S66 PolarHBondContact O-N 3.21Å; C62-S66 VanDerWaalsContact O-N 3.17Å; C62-S66 PolarHBondContact O-OG 3.33Å; M63-S66 PolarHBondContact O-N 3.26Å; A64-S66 VanDerWaalsContact C-N 3.33Å; S66-I71 WeakPolarHBondContact O-CD1 3.35Å; S66-V125 WeakPolarHBondContact OG-CG2 3.43Å
67	L	98.6	Very high	97.6	Very high	9 Å²	9	56.9 Å²	56.9	5%	0.047	29%	0.289	C	S	.	.			trans	-72.1	133.9	-178.6	-168.4	67.2	0	0	0	110.9	Y53 P54 L56 M63 I71 Y72 I90 I121	Y53-L67 HydrophobicContact CE2-CD2 4.16Å; Y53-L67 HydrophobicContact CE2-CG 4.11Å; Y53-L67 PolarHBondContact OH-O 3.36Å; P54-L67 HydrophobicContact CG-CD2 3.79Å; L56-L67 HydrophobicContact CD1-CB 4.45Å; L56-L67 HydrophobicContact CD1-CD2 3.89Å; M63-L67 WeakPolarHBondContact O-CB 3Å; M63-L67 PolarHBondContact O-N 2.9Å; M63-L67 HydrophobicContact SD-CB 4.13Å; M63-L67 HydrophobicContact SD-CD2 4.04Å; L67-I71 HydrophobicContact CD1-CG2 4.19Å; L67-Y72 HydrophobicContact CD1-CD2 4.33Å; L67-Y72 HydrophobicContact CD2-CD2 4.25Å; L67-I90 HydrophobicContact CD2-CD1 4.06Å; L67-I121 HydrophobicContact CB-CD1 4.16Å; L67-I121 HydrophobicContact CD1-CD1 4.14Å; L67-I121 HydrophobicContact CD1-CG1 4.39Å
68	T	98.6	Very high	97.5	Very high	57 Å²	57	51 Å²	51	35%	0.35	27%	0.27	S	S	.	.			trans	-131	157	175.2	65.8	0	0	0	0	110	Y53 A70 I71 Y72	Y53-T68 VanDerWaalsContact CE2-C 3.49Å; Y53-T68 WeakPolarHBondContact OH-CA 3.38Å; T68-A70 PolarHBondContact O-N 2.95Å; T68-A70 VanDerWaalsContact O-N 3.16Å; T68-I71 HydrophobicContact CG2-CD1 4.36Å; T68-I71 PolarHBondContact O-N 2.85Å; T68-I71 VanDerWaalsContact O-N 3.12Å; T68-I71 VanDerWaalsContact OG1-CG1 3.32Å; T68-I71 WeakPolarHBondContact OG1-CG1 3.3Å; T68-I71 PolarHBondContact OG1-N 2.88Å; T68-Y72 WeakPolarHBondContact O-CB 3.25Å; T68-Y72 PolarHBondContact O-N 2.94Å
69	P	98.4	Very high	97.6	Very high	92 Å²	92	42.3 Å²	42.3	60%	0.597	24%	0.242	S	C	*	.	H	α-helix	trans	-54.4	-34.4	175.2	-28.8	36.5	0	0	0	113.4	Y53 G73	Y53-P69 HydrophobicContact CE1-CG 4.42Å; Y53-P69 HydrophobicContact CE2-CB 4.36Å; Y53-P69 HydrophobicContact CE2-CG 4.13Å; P69-G73 PolarHBondContact O-N 2.93Å
70	A	98.4	Very high	97.7	Very high	79 Å²	79	41 Å²	41	65%	0.653	24%	0.236	S	C	*	.	H	α-helix	trans	-69	-46.2	177	0	0	0	0	0	112.4	T68 K74	T68-A70 PolarHBondContact O-N 2.95Å; T68-A70 VanDerWaalsContact O-N 3.16Å; A70-K74 WeakPolarHBondContact O-CB 3.31Å; A70-K74 PolarHBondContact O-N 2.93Å
71	I	98.6	Very high	97.8	Very high	31 Å²	31	41.7 Å²	41.7	16%	0.159	25%	0.246	C	C	.	.	H	α-helix	trans	-62.4	-47.2	176	-69.8	169	0	0	0	109.9	S66 L67 T68 K74 L75 I121	S66-I71 WeakPolarHBondContact O-CD1 3.35Å; L67-I71 HydrophobicContact CD1-CG2 4.19Å; T68-I71 HydrophobicContact CG2-CD1 4.36Å; T68-I71 PolarHBondContact O-N 2.85Å; T68-I71 VanDerWaalsContact O-N 3.12Å; T68-I71 VanDerWaalsContact OG1-CG1 3.32Å; T68-I71 WeakPolarHBondContact OG1-CG1 3.3Å; T68-I71 PolarHBondContact OG1-N 2.88Å; I71-K74 PolarHBondContact O-N 3.13Å; I71-L75 HydrophobicContact CG2-CD1 3.77Å; I71-L75 HydrophobicContact CG2-CG 4.37Å; I71-L75 WeakPolarHBondContact O-CB 3.42Å; I71-L75 WeakPolarHBondContact O-CG 3.25Å; I71-L75 PolarHBondContact O-N 2.67Å; I71-I121 HydrophobicContact CG2-CB 3.95Å
72	Y	98.6	Very high	97.8	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-60.6	-49.6	179.1	-170.9	-95.8	0	0	0	111.3	P49 D52 Y53 L67 T68 K74 L75 R76 L86 D87 I90	P49-Y72 WeakPolarHBondContact O-CE1 3.35Å; D52-Y72 HydrophobicContact CB-CE1 4.06Å; D52-Y72 VanDerWaalsContact CB-OH 3.3Å; D52-Y72 WeakPolarHBondContact CB-OH 3.44Å; D52-Y72 PolarHBondContact O-OH 3.15Å; Y53-Y72 AromaticContact CD2-CD1 3.78Å; Y53-Y72 HydrophobicContact CD2-CD1 3.78Å; Y53-Y72 HydrophobicContact CD2-CD2 4.31Å; Y53-Y72 AromaticContact CD2-CG 3.61Å; Y53-Y72 HydrophobicContact CD2-CG 3.61Å; Y53-Y72 HydrophobicContact CE2-CG 4.1Å; L67-Y72 HydrophobicContact CD1-CD2 4.33Å; L67-Y72 HydrophobicContact CD2-CD2 4.25Å; T68-Y72 WeakPolarHBondContact O-CB 3.25Å; T68-Y72 PolarHBondContact O-N 2.94Å; Y72-K74 VanDerWaalsContact C-N 3.26Å; Y72-K74 PolarHBondContact O-N 3.24Å; Y72-L75 PolarHBondContact O-N 2.99Å; Y72-L75 VanDerWaalsContact O-N 3.15Å; Y72-R76 HydrophobicContact CD1-CB 4.35Å; Y72-R76 HydrophobicContact CE1-CB 4.09Å; Y72-R76 HydrophobicContact CE1-CG 3.98Å; Y72-R76 VanDerWaalsContact O-CB 3.22Å; Y72-R76 WeakPolarHBondContact O-CB 3.35Å; Y72-R76 PolarHBondContact O-N 2.98Å; Y72-L86 HydrophobicContact CD2-CD2 3.6Å; Y72-L86 HydrophobicContact CE2-CD2 3.91Å; Y72-L86 HydrophobicContact CG-CD2 4.38Å; Y72-D87 VanDerWaalsContact CE2-OD1 3.23Å; Y72-D87 WeakPolarHBondContact CE2-OD1 3.27Å; Y72-D87 PolarHBondContact OH-OD1 2.64Å; Y72-D87 PolarHBondContact OH-OD2 3.15Å; Y72-I90 HydrophobicContact CD2-CD1 4.5Å; Y72-I90 HydrophobicContact CE2-CD1 4.16Å
73	G	98	Very high	97.7	Very high	33 Å²	33	50.4 Å²	50.4	34%	0.34	29%	0.292	S	S	.	.	H	α-helix	trans	-58.7	-35.5	177.3	0	0	0	0	0	113.8	P69	P69-G73 PolarHBondContact O-N 2.93Å
74	K	98.3	Very high	97.7	Very high	123 Å²	123	50.6 Å²	50.6	54%	0.535	29%	0.293	S	S	.	.	H	α-helix	trans	-72.2	-34.9	177.3	-177.2	-179.6	179.6	-173.6	0	113.3	A70 I71 Y72 D120	A70-K74 WeakPolarHBondContact O-CB 3.31Å; A70-K74 PolarHBondContact O-N 2.93Å; I71-K74 PolarHBondContact O-N 3.13Å; Y72-K74 VanDerWaalsContact C-N 3.26Å; Y72-K74 PolarHBondContact O-N 3.24Å; K74-D120 WeakPolarHBondContact CD-OD2 3.29Å; K74-D120 WeakPolarHBondContact CE-OD2 3.45Å; K74-D120 IonicContact NZ-OD2 2.91Å; K74-D120 PolarHBondContact NZ-OD2 3.03Å
75	L	98.2	Very high	97.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-105.2	-20.8	-168.5	-66.5	-173.9	0	0	0	114	I71 Y72 D77 K78 L86 F118 D120 I121	I71-L75 HydrophobicContact CG2-CD1 3.77Å; I71-L75 HydrophobicContact CG2-CG 4.37Å; I71-L75 WeakPolarHBondContact O-CB 3.42Å; I71-L75 WeakPolarHBondContact O-CG 3.25Å; I71-L75 PolarHBondContact O-N 2.67Å; Y72-L75 PolarHBondContact O-N 2.99Å; Y72-L75 VanDerWaalsContact O-N 3.15Å; L75-D77 PolarHBondContact O-N 2.99Å; L75-K78 HydrophobicContact CD2-CD 3.99Å; L75-K78 WeakPolarHBondContact O-CB 3.33Å; L75-K78 PolarHBondContact O-N 2.91Å; L75-L86 HydrophobicContact CB-CD2 3.75Å; L75-L86 HydrophobicContact CD1-CD1 4.38Å; L75-F118 HydrophobicContact CB-CD1 4.32Å; L75-F118 HydrophobicContact CD1-CB 4.32Å; L75-F118 HydrophobicContact CD1-CD1 4.44Å; L75-D120 HydrophobicContact CD1-CB 4.12Å; L75-I121 HydrophobicContact CD1-CB 4.21Å; L75-I121 HydrophobicContact CD1-CG2 3.75Å
76	R	96.9	Very high	97.7	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-56.5	-173.6	177.9	-169.7	172.1	-119.1	20.3	111.1	R44 Y47 P49 D52 Y72 K78	R44-R76 PolarHBondContact NH1-O 3.2Å; R44-R76 PolarHBondContact NH2-O 3Å; R44-R76 VanDerWaalsContact O-CZ 3.25Å; R44-R76 PolarHBondContact O-NH1 2.97Å; R44-R76 VanDerWaalsContact O-NH1 3.09Å; R44-R76 PolarHBondContact O-NH2 2.99Å; Y47-R76 PolarHBondContact O-NH1 3.28Å; Y47-R76 PolarHBondContact O-NH2 2.95Å; P49-R76 HydrophobicContact CB-CB 4.46Å; D52-R76 IonicContact OD2-CZ 3.41Å; D52-R76 IonicContact OD2-NE 2.72Å; D52-R76 PolarHBondContact OD2-NE 3.11Å; D52-R76 IonicContact OD2-NH2 3.65Å; D52-R76 PolarHBondContact OD2-NH2 2.8Å; Y72-R76 HydrophobicContact CD1-CB 4.35Å; Y72-R76 HydrophobicContact CE1-CB 4.09Å; Y72-R76 HydrophobicContact CE1-CG 3.98Å; Y72-R76 VanDerWaalsContact O-CB 3.22Å; Y72-R76 WeakPolarHBondContact O-CB 3.35Å; Y72-R76 PolarHBondContact O-N 2.98Å; R76-K78 PolarHBondContact O-N 3.26Å
77	D	95.3	Very high	97.8	Very high	56 Å²	56	46.2 Å²	46.2	30%	0.299	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	5.1	-172.7	-55.8	-33.9	0	0	0	113.6	L75	L75-D77 PolarHBondContact O-N 2.99Å
78	K	96.7	Very high	97.8	Very high	89 Å²	89	48.8 Å²	48.8	39%	0.387	28%	0.283	S	S	.	.			trans	-82.1	145.4	171.6	-64.2	-169.3	177.1	-171.4	0	110.6	L75 R76 V117 F118	L75-K78 HydrophobicContact CD2-CD 3.99Å; L75-K78 WeakPolarHBondContact O-CB 3.33Å; L75-K78 PolarHBondContact O-N 2.91Å; R76-K78 PolarHBondContact O-N 3.26Å; K78-V117 HydrophobicContact CB-CG1 4Å; K78-V117 HydrophobicContact CD-CG1 4.33Å; K78-F118 HydrophobicContact CB-CE1 4Å
79	V	97.1	Very high	97.8	Very high	50 Å²	50	46.1 Å²	46.1	30%	0.303	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-132.1	153	172.1	-64.5	0	0	0	0	110.2	W84	V79-W84 CarbonylContact C-O 3.51Å; V79-W84 VanDerWaalsContact CA-O 3.28Å; V79-W84 WeakPolarHBondContact CA-O 3.4Å
80	T	98.4	Very high	97.8	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.031	24%	0.238	C	C	.	.			trans	-75	169.2	170.1	69.2	0	0	0	0	110.3	N82 N83 W84 D111 V117 F118	T80-N82 PolarHBondContact O-N 3.3Å; T80-N82 VanDerWaalsContact O-N 3.12Å; T80-N82 PolarHBondContact OG1-N 2.74Å; T80-N83 PolarHBondContact O-N 2.92Å; T80-W84 HydrophobicContact CG2-CB 4.05Å; T80-W84 PolarHBondContact N-O 2.96Å; T80-W84 VanDerWaalsContact OG1-CB 3.28Å; T80-W84 WeakPolarHBondContact OG1-CB 3.37Å; T80-W84 PolarHBondContact OG1-N 3.39Å; T80-D111 WeakPolarHBondContact CB-OD2 3.32Å; T80-D111 WeakPolarHBondContact CG2-OD1 3.38Å; T80-D111 PolarHBondContact OG1-OD2 3.49Å; T80-V117 HydrophobicContact CG2-CB 4.32Å; T80-V117 HydrophobicContact CG2-CG2 4.26Å; T80-F118 HydrophobicContact CG2-CE2 3.68Å; T80-F118 HydrophobicContact CG2-CZ 4.28Å
81	P	98.3	Very high	97.8	Very high	103 Å²	103	41 Å²	41	67%	0.669	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-28.1	174	-28	37.7	0	0	0	114.2	N83 E113	P81-N83 VanDerWaalsContact C-N 3.31Å; P81-E113 HydrophobicContact CG-CG 4.06Å
82	N	95.8	Very high	97.8	Very high	78 Å²	78	39.9 Å²	39.9	42%	0.417	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	18.6	177.1	-61.7	-47.6	0	0	0	113.5	T80 W84	T80-N82 PolarHBondContact O-N 3.3Å; T80-N82 VanDerWaalsContact O-N 3.12Å; T80-N82 PolarHBondContact OG1-N 2.74Å; N82-W84 VanDerWaalsContact C-N 3.28Å; N82-W84 PolarHBondContact O-N 2.89Å
83	N	96.1	Very high	97.8	Very high	108 Å²	108	39.9 Å²	39.9	58%	0.578	22%	0.216	S	C	*	.			trans	61.1	32.4	177.9	-163.2	42	0	0	0	114	T80 P81	T80-N83 PolarHBondContact O-N 2.92Å; P81-N83 VanDerWaalsContact C-N 3.31Å
84	W	97.9	Very high	97.8	Very high	5 Å²	5	40.3 Å²	40.3	2%	0.019	21%	0.211	C	C	.	.			trans	-86.3	135.4	170.1	-168.1	-111.1	0	0	0	110.3	V79 T80 N82 Q88 C89 F118 P177 C178 F239	V79-W84 CarbonylContact C-O 3.51Å; V79-W84 VanDerWaalsContact CA-O 3.28Å; V79-W84 WeakPolarHBondContact CA-O 3.4Å; T80-W84 HydrophobicContact CG2-CB 4.05Å; T80-W84 PolarHBondContact N-O 2.96Å; T80-W84 VanDerWaalsContact OG1-CB 3.28Å; T80-W84 WeakPolarHBondContact OG1-CB 3.37Å; T80-W84 PolarHBondContact OG1-N 3.39Å; N82-W84 VanDerWaalsContact C-N 3.28Å; N82-W84 PolarHBondContact O-N 2.89Å; W84-Q88 HydrophobicContact CD2-CB 3.83Å; W84-Q88 HydrophobicContact CE3-CB 3.89Å; W84-Q88 HydrophobicContact CE3-CG 4.25Å; W84-Q88 HydrophobicContact CH2-CB 3.59Å; W84-Q88 HydrophobicContact CH2-CG 4.3Å; W84-Q88 HydrophobicContact CZ2-CB 3.47Å; W84-Q88 VanDerWaalsContact CZ2-CB 3.47Å; W84-Q88 WeakPolarHBondContact CZ2-O 3.42Å; W84-Q88 HydrophobicContact CZ3-CB 3.77Å; W84-Q88 HydrophobicContact CZ3-CG 4.1Å; W84-C89 PolarHBondContact NE1-SG 2.91Å; W84-F118 WeakPolarHBondContact O-CZ 3.23Å; W84-P177 HydrophobicContact CH2-CB 3.64Å; W84-P177 HydrophobicContact CZ2-CB 3.77Å; W84-C178 HydrophobicContact CD2-CB 4.06Å; W84-C178 HydrophobicContact CE3-CB 3.54Å; W84-C178 VanDerWaalsContact CE3-SG 3.5Å; W84-C178 HydrophobicContact CH2-CB 4.42Å; W84-C178 HydrophobicContact CZ3-CB 3.75Å; W84-F239 AromaticContact CH2-CD2 3.94Å; W84-F239 HydrophobicContact CH2-CD2 3.94Å; W84-F239 HydrophobicContact CH2-CE2 4.37Å
85	S	98.1	Very high	97.8	Very high	14 Å²	14	38.1 Å²	38.1	10%	0.098	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-112.5	165.6	-172.8	66.4	0	0	0	0	113.3	D87 Q88 C89	S85-D87 VanDerWaalsContact C-N 3.34Å; S85-D87 PolarHBondContact O-N 3.34Å; S85-Q88 PolarHBondContact O-N 2.96Å; S85-Q88 WeakPolarHBondContact OG-CG 3.5Å; S85-Q88 PolarHBondContact OG-N 3.03Å; S85-Q88 PolarHBondContact OG-OE1 3.02Å; S85-C89 PolarHBondContact O-N 3.22Å; S85-C89 VanDerWaalsContact O-N 3.1Å; S85-C89 PolarHBondContact O-SG 3.44Å
86	L	98.6	Very high	97.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57.7	-44.2	173.2	178.2	67.5	0	0	0	112.4	Y72 L75 Q88 C89 I90 F118 I121	Y72-L86 HydrophobicContact CD2-CD2 3.6Å; Y72-L86 HydrophobicContact CE2-CD2 3.91Å; Y72-L86 HydrophobicContact CG-CD2 4.38Å; L75-L86 HydrophobicContact CB-CD2 3.75Å; L75-L86 HydrophobicContact CD1-CD1 4.38Å; L86-Q88 VanDerWaalsContact C-N 3.28Å; L86-Q88 PolarHBondContact O-N 2.61Å; L86-C89 WeakPolarHBondContact O-CA 3.39Å; L86-C89 VanDerWaalsContact O-CB 3.28Å; L86-C89 WeakPolarHBondContact O-CB 3.47Å; L86-C89 PolarHBondContact O-N 3.39Å; L86-I90 HydrophobicContact CD1-CG2 4.09Å; L86-I90 PolarHBondContact O-N 2.7Å; L86-F118 HydrophobicContact CB-CD1 4.15Å; L86-F118 HydrophobicContact CB-CE1 3.96Å; L86-F118 HydrophobicContact CD1-CD1 4.33Å; L86-I121 HydrophobicContact CD1-CG2 3.83Å
87	D	98.4	Very high	97.6	Very high	36 Å²	36	41.9 Å²	41.9	19%	0.193	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-39.9	-176.7	-71.3	-21.1	0	0	0	110.7	R44 Y72 S85 C89 I90 Q91	R44-D87 IonicContact CZ-OD2 3.12Å; R44-D87 VanDerWaalsContact CZ-OD2 3.24Å; R44-D87 IonicContact NE-OD2 3.82Å; R44-D87 PolarHBondContact NE-OD2 3.1Å; R44-D87 IonicContact NH2-OD1 2.8Å; R44-D87 IonicContact NH2-OD2 3.75Å; R44-D87 PolarHBondContact NH2-OD2 2.92Å; Y72-D87 VanDerWaalsContact CE2-OD1 3.23Å; Y72-D87 WeakPolarHBondContact CE2-OD1 3.27Å; Y72-D87 PolarHBondContact OH-OD1 2.64Å; Y72-D87 PolarHBondContact OH-OD2 3.15Å; S85-D87 VanDerWaalsContact C-N 3.34Å; S85-D87 PolarHBondContact O-N 3.34Å; D87-C89 VanDerWaalsContact C-N 3.34Å; D87-C89 PolarHBondContact O-N 3.47Å; D87-I90 PolarHBondContact O-N 3.31Å; D87-Q91 WeakPolarHBondContact O-CB 3.44Å; D87-Q91 PolarHBondContact O-N 2.93Å
88	Q	98.6	Very high	97.1	Very high	64 Å²	64	40.7 Å²	40.7	30%	0.299	23%	0.23	S	C	.	.	H	α-helix	trans	-65.7	-35.1	174.1	-67.7	167.5	-61.9	0	0	112.6	W84 S85 L86	W84-Q88 HydrophobicContact CD2-CB 3.83Å; W84-Q88 HydrophobicContact CE3-CB 3.89Å; W84-Q88 HydrophobicContact CE3-CG 4.25Å; W84-Q88 HydrophobicContact CH2-CB 3.59Å; W84-Q88 HydrophobicContact CH2-CG 4.3Å; W84-Q88 HydrophobicContact CZ2-CB 3.47Å; W84-Q88 VanDerWaalsContact CZ2-CB 3.47Å; W84-Q88 WeakPolarHBondContact CZ2-O 3.42Å; W84-Q88 HydrophobicContact CZ3-CB 3.77Å; W84-Q88 HydrophobicContact CZ3-CG 4.1Å; S85-Q88 PolarHBondContact O-N 2.96Å; S85-Q88 WeakPolarHBondContact OG-CG 3.5Å; S85-Q88 PolarHBondContact OG-N 3.03Å; S85-Q88 PolarHBondContact OG-OE1 3.02Å; L86-Q88 VanDerWaalsContact C-N 3.28Å; L86-Q88 PolarHBondContact O-N 2.61Å
89	C	98.8	Very high	96.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.1	-44.6	173.4	-63.8	0	0	0	0	111.6	W84 S85 L86 D87 M107 V108	W84-C89 PolarHBondContact NE1-SG 2.91Å; S85-C89 PolarHBondContact O-N 3.22Å; S85-C89 VanDerWaalsContact O-N 3.1Å; S85-C89 PolarHBondContact O-SG 3.44Å; L86-C89 WeakPolarHBondContact O-CA 3.39Å; L86-C89 VanDerWaalsContact O-CB 3.28Å; L86-C89 WeakPolarHBondContact O-CB 3.47Å; L86-C89 PolarHBondContact O-N 3.39Å; D87-C89 VanDerWaalsContact C-N 3.34Å; D87-C89 PolarHBondContact O-N 3.47Å; C89-M107 HydrophobicContact CB-CE 4.26Å; C89-M107 CarbonylContact O-C 3.53Å; C89-M107 WeakPolarHBondContact O-CA 3.37Å; C89-M107 VanDerWaalsContact O-CB 3.25Å; C89-M107 WeakPolarHBondContact O-CB 3.41Å; C89-V108 WeakPolarHBondContact CA-O 3.41Å; C89-V108 WeakPolarHBondContact CB-O 3.31Å; C89-V108 PolarHBondContact O-N 3.02Å
90	I	98.8	Very high	95.1	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.015	24%	0.241	C	C	.	.	H	α-helix	trans	-93.2	-10.7	-170.4	70.2	175.4	0	0	0	114	P54 M63 L67 Y72 L86 D87 T92 G93 V94 M107	P54-I90 HydrophobicContact CG-CD1 4.3Å; M63-I90 HydrophobicContact CE-CB 4Å; M63-I90 HydrophobicContact CG-CB 4.03Å; M63-I90 HydrophobicContact CG-CG2 3.7Å; M63-I90 HydrophobicContact SD-CB 3.95Å; M63-I90 HydrophobicContact SD-CG2 4.02Å; L67-I90 HydrophobicContact CD2-CD1 4.06Å; Y72-I90 HydrophobicContact CD2-CD1 4.5Å; Y72-I90 HydrophobicContact CE2-CD1 4.16Å; L86-I90 HydrophobicContact CD1-CG2 4.09Å; L86-I90 PolarHBondContact O-N 2.7Å; D87-I90 PolarHBondContact O-N 3.31Å; I90-T92 VanDerWaalsContact C-N 3.29Å; I90-T92 PolarHBondContact O-N 3.29Å; I90-G93 WeakPolarHBondContact O-CA 3.45Å; I90-G93 PolarHBondContact O-N 3.5Å; I90-V94 HydrophobicContact CD1-CG2 4.24Å; I90-V94 HydrophobicContact CG1-CG2 4.13Å; I90-V94 PolarHBondContact O-N 2.91Å; I90-M107 HydrophobicContact CG2-CB 4.36Å; I90-M107 HydrophobicContact CG2-CE 4.46Å
91	Q	98.8	Very high	93.7	Very high	62 Å²	62	47.8 Å²	47.8	29%	0.29	27%	0.269	S	S	.	.	H	α-helix	trans	-50.3	-47	-172.7	-170.2	66.3	58.7	0	0	112.6	D87 G93 V94 D95 F239	D87-Q91 WeakPolarHBondContact O-CB 3.44Å; D87-Q91 PolarHBondContact O-N 2.93Å; Q91-G93 VanDerWaalsContact C-N 3.25Å; Q91-G93 PolarHBondContact O-N 2.9Å; Q91-V94 PolarHBondContact O-N 3Å; Q91-D95 PolarHBondContact NE2-OD1 3.17Å; Q91-D95 PolarHBondContact O-N 3.5Å; Q91-F239 HydrophobicContact CB-CE2 4.18Å; Q91-F239 HydrophobicContact CB-CZ 4.37Å; Q91-F239 HydrophobicContact CG-CE2 4.36Å; Q91-F239 HydrophobicContact CG-CZ 4.07Å
92	T	98.3	Very high	92.7	Very high	7 Å²	7	46.4 Å²	46.4	4%	0.043	26%	0.255	C	S	.	.	H	α-helix	trans	-59.3	-35.7	178.3	-173.4	0	0	0	0	112.7	I90 N96 V108 L234 A238	I90-T92 VanDerWaalsContact C-N 3.29Å; I90-T92 PolarHBondContact O-N 3.29Å; T92-N96 VanDerWaalsContact O-CB 3.22Å; T92-N96 WeakPolarHBondContact O-CB 3.2Å; T92-N96 PolarHBondContact O-N 2.91Å; T92-N96 VanDerWaalsContact O-N 3.11Å; T92-N96 PolarHBondContact O-ND2 3.44Å; T92-V108 HydrophobicContact CG2-CG1 4.25Å; T92-L234 PolarHBondContact OG1-O 3.25Å; T92-A238 HydrophobicContact CG2-CB 4.28Å
93	G	98.3	Very high	92.2	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-77.1	-27.4	175.9	0	0	0	0	0	113.8	H59 N61 I90 Q91 G106	H59-G93 PolarHBondContact CD2-O 3.47Å; N61-G93 PolarHBondContact ND2-O 2.99Å; I90-G93 WeakPolarHBondContact O-CA 3.45Å; I90-G93 PolarHBondContact O-N 3.5Å; Q91-G93 VanDerWaalsContact C-N 3.25Å; Q91-G93 PolarHBondContact O-N 2.9Å; G93-G106 VanDerWaalsContact CA-CA 3.48Å; G93-G106 WeakPolarHBondContact CA-O 3.41Å; G93-G106 PolarHBondContact N-O 3.1Å
94	V	98.4	Very high	92.1	Very high	41 Å²	41	41.9 Å²	41.9	25%	0.248	23%	0.228	C	C	.	.	H	α-helix	trans	-71.4	-44.5	173.5	176.9	0	0	0	0	110.2	P54 L56 H59 M63 I90 Q91 N96	P54-V94 HydrophobicContact CB-CG1 4.24Å; P54-V94 HydrophobicContact CB-CG2 3.88Å; P54-V94 HydrophobicContact CG-CG2 4.28Å; L56-V94 HydrophobicContact CD2-CG2 4.29Å; H59-V94 PolarHBondContact NE2-O 2.9Å; M63-V94 HydrophobicContact CE-CG2 4.15Å; I90-V94 HydrophobicContact CD1-CG2 4.24Å; I90-V94 HydrophobicContact CG1-CG2 4.13Å; I90-V94 PolarHBondContact O-N 2.91Å; Q91-V94 PolarHBondContact O-N 3Å; V94-N96 VanDerWaalsContact C-N 3.32Å; V94-N96 PolarHBondContact O-N 3.34Å
95	D	98.2	Very high	92	Very high	77 Å²	77	42 Å²	42	41%	0.412	23%	0.229	S	C	.	.	H	α-helix	trans	-71.5	-27.8	-179.1	-67.7	-4.5	0	0	0	112.7	Q91 P97 S237	Q91-D95 PolarHBondContact NE2-OD1 3.17Å; Q91-D95 PolarHBondContact O-N 3.5Å; D95-P97 WeakPolarHBondContact O-CD 3.12Å; D95-S237 WeakPolarHBondContact CB-OG 3.41Å; D95-S237 VanDerWaalsContact OD2-CB 3.25Å; D95-S237 WeakPolarHBondContact OD2-CB 3.25Å; D95-S237 PolarHBondContact OD2-OG 2.92Å
96	N	96.6	Very high	92	Very high	16 Å²	16	41.6 Å²	41.6	9%	0.086	23%	0.227	C	C	.	.			trans	-115.1	93.7	-175	-61.6	-86	0	0	0	111	N61 T92 V94 G98 P233 L234	N61-N96 PolarHBondContact ND2-O 3.25Å; T92-N96 VanDerWaalsContact O-CB 3.22Å; T92-N96 WeakPolarHBondContact O-CB 3.2Å; T92-N96 PolarHBondContact O-N 2.91Å; T92-N96 VanDerWaalsContact O-N 3.11Å; T92-N96 PolarHBondContact O-ND2 3.44Å; V94-N96 VanDerWaalsContact C-N 3.32Å; V94-N96 PolarHBondContact O-N 3.34Å; N96-G98 PolarHBondContact O-N 3.24Å; N96-G98 VanDerWaalsContact O-N 3.12Å; N96-P233 PolarHBondContact ND2-O 2.74Å; N96-P233 VanDerWaalsContact OD1-CB 3.31Å; N96-P233 WeakPolarHBondContact OD1-CB 3.2Å; N96-P233 WeakPolarHBondContact OD1-CG 3.31Å; N96-L234 HydrophobicContact CB-CD2 3.72Å
97	P	93.4	Very high	92	Very high	64 Å²	64	41.7 Å²	41.7	42%	0.416	23%	0.227	S	C	.	.			trans	-65.7	-17	-176.6	25.8	-34.3	0	0	0	114	H59 N60 D95	H59-P97 CarbonylContact C-O 3.54Å; H59-P97 WeakPolarHBondContact CA-O 3.32Å; H59-P97 VanDerWaalsContact CD2-CA 3.45Å; H59-P97 WeakPolarHBondContact CD2-CA 3.46Å; N60-P97 PolarHBondContact N-O 3.49Å; D95-P97 WeakPolarHBondContact O-CD 3.12Å
98	G	85.2	Confident	92	Very high	31 Å²	31	40.4 Å²	40.4	32%	0.32	22%	0.221	S	C	.	.			trans	-177.3	-175.7	174.4	0	0	0	0	0	110.6	N96	N96-G98 PolarHBondContact O-N 3.24Å; N96-G98 VanDerWaalsContact O-N 3.12Å
99	H	79.5	Confident	92.1	Very high	38 Å²	38	37.4 Å²	37.4	18%	0.176	21%	0.207	C	C	.	.			trans	-132.2	141.3	173	-171.8	-96.5	0	0	0	109.6	F101 I102 T104 D359	H99-F101 AromaticContact CE1-CD2 3.76Å; H99-F101 PolarHBondContact ND1-N 2.91Å; H99-F101 PolarHBondContact O-N 2.91Å; H99-I102 HydrophobicContact CB-CG1 4.26Å; H99-I102 WeakPolarHBondContact CB-O 3.13Å; H99-T104 HydrophobicContact CB-CG2 3.53Å; H99-D359 IonicContact CE1-OD1 3.51Å; H99-D359 IonicContact NE2-OD1 3.03Å; H99-D359 PolarHBondContact NE2-OD1 2.89Å
100	P	72.3	Confident	92.1	Very high	113 Å²	113	37.4 Å²	37.4	73%	0.734	21%	0.207	S	C	*	.	S	Bend	trans	-57.3	-27.2	-173.7	-27.5	35.4	0	0	0	114.8
101	F	69.6	Low	92.1	Very high	142 Å²	142	37.3 Å²	37.3	62%	0.623	21%	0.206	S	C	*	.	S	Bend	trans	-114.4	-20.9	-170.1	-55.9	-63.9	0	0	0	115.2	H99	H99-F101 AromaticContact CE1-CD2 3.76Å; H99-F101 PolarHBondContact ND1-N 2.91Å; H99-F101 PolarHBondContact O-N 2.91Å
102	I	76.5	Confident	92.1	Very high	75 Å²	75	36 Å²	36	39%	0.385	20%	0.2	S	C	.	.	S	Bend	trans	-148.3	152.5	-171	58.6	168.8	0	0	0	111.8	H99 T104 V358	H99-I102 HydrophobicContact CB-CG1 4.26Å; H99-I102 WeakPolarHBondContact CB-O 3.13Å; I102-T104 HydrophobicContact CG1-CG2 4.33Å; I102-T104 PolarHBondContact O-N 3.08Å; I102-V358 HydrophobicContact CD1-CG2 4.04Å
103	K	86.1	Confident	92.1	Very high	78 Å²	78	39 Å²	39	34%	0.339	21%	0.214	S	C	.	.			trans	-74.1	120.3	163.3	-174.3	-178.9	171.3	-162	0	108.7	H65 D128	H65-K103 PolarHBondContact ND1-NZ 3.5Å; K103-D128 IonicContact NZ-OD1 2.6Å; K103-D128 PolarHBondContact NZ-OD1 3.23Å; K103-D128 IonicContact NZ-OD2 3.16Å; K103-D128 PolarHBondContact NZ-OD2 3.32Å
104	T	93.1	Very high	92.1	Very high	12 Å²	12	38.9 Å²	38.9	7%	0.074	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-87.8	165.7	-178.9	55.8	0	0	0	0	111.7	N61 C62 H99 I102 L234	N61-T104 WeakPolarHBondContact CA-O 3.11Å; N61-T104 WeakPolarHBondContact CB-O 3.14Å; N61-T104 WeakPolarHBondContact CB-OG1 3.34Å; C62-T104 PolarHBondContact N-O 3.38Å; H99-T104 HydrophobicContact CB-CG2 3.53Å; I102-T104 HydrophobicContact CG1-CG2 4.33Å; I102-T104 PolarHBondContact O-N 3.08Å; T104-L234 HydrophobicContact CG2-CD1 3.83Å; T104-L234 HydrophobicContact CG2-CD2 4.14Å
105	V	97.2	Very high	92.1	Very high	8 Å²	8	37 Å²	37	5%	0.048	20%	0.201	C	C	.	.			trans	-72.4	-47.9	175.2	-179.1	0	0	0	0	111	C62 M63 M107 V125 R129 P317	C62-V105 WeakPolarHBondContact CB-O 3.31Å; C62-V105 PolarHBondContact N-O 3.06Å; M63-V105 WeakPolarHBondContact CB-O 3.4Å; M63-V105 PolarHBondContact N-O 2.66Å; V105-M107 HydrophobicContact CG1-CG 4.03Å; V105-V125 HydrophobicContact CG1-CG1 3.57Å; V105-R129 HydrophobicContact CG2-CG 4.02Å; V105-P317 HydrophobicContact CG1-CB 3.99Å; V105-P317 HydrophobicContact CG1-CG 3.87Å
106	G	97.7	Very high	92.2	Very high	5 Å²	5	40.4 Å²	40.4	5%	0.052	22%	0.215	C	C	.	.			trans	80.9	14.2	179.8	0	0	0	0	0	115.1	M63 G93	M63-G106 WeakPolarHBondContact CB-O 3.4Å; G93-G106 VanDerWaalsContact CA-CA 3.48Å; G93-G106 WeakPolarHBondContact CA-O 3.41Å; G93-G106 PolarHBondContact N-O 3.1Å
107	M	98.7	Very high	92.3	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	22%	0.221	C	C	.	.			trans	-156.2	159.7	170.1	62.9	-175.7	-53.9	0	0	112	M63 C89 I90 V105 I121 F122 V125 P317	M63-M107 HydrophobicContact CB-CB 4.24Å; M63-M107 HydrophobicContact CB-CG 4.25Å; M63-M107 HydrophobicContact CB-SD 4.33Å; M63-M107 HydrophobicContact CG-CB 4.12Å; M63-M107 HydrophobicContact CG-CG 4.44Å; M63-M107 HydrophobicContact CG-SD 4.25Å; C89-M107 HydrophobicContact CB-CE 4.26Å; C89-M107 CarbonylContact O-C 3.53Å; C89-M107 WeakPolarHBondContact O-CA 3.37Å; C89-M107 VanDerWaalsContact O-CB 3.25Å; C89-M107 WeakPolarHBondContact O-CB 3.41Å; I90-M107 HydrophobicContact CG2-CB 4.36Å; I90-M107 HydrophobicContact CG2-CE 4.46Å; V105-M107 HydrophobicContact CG1-CG 4.03Å; M107-I121 HydrophobicContact CE-CG1 4.18Å; M107-I121 HydrophobicContact CE-CG2 3.91Å; M107-I121 HydrophobicContact SD-CG1 4.07Å; M107-F122 HydrophobicContact CE-CD1 3.68Å; M107-F122 HydrophobicContact CE-CD2 3.85Å; M107-F122 HydrophobicContact CE-CE1 3.48Å; M107-F122 VanDerWaalsContact CE-CE1 3.48Å; M107-F122 HydrophobicContact CE-CE2 3.64Å; M107-F122 HydrophobicContact CE-CG 3.88Å; M107-F122 HydrophobicContact CE-CZ 3.45Å; M107-F122 VanDerWaalsContact CE-CZ 3.45Å; M107-F122 HydrophobicContact CG-CE1 4.33Å; M107-F122 HydrophobicContact SD-CD1 4.13Å; M107-F122 HydrophobicContact SD-CE1 4.22Å; M107-V125 HydrophobicContact CG-CG1 4.26Å; M107-V125 HydrophobicContact SD-CB 4.07Å; M107-V125 HydrophobicContact SD-CG1 3.98Å; M107-V125 HydrophobicContact SD-CG2 3.77Å; M107-P317 HydrophobicContact CG-CG 4.29Å; M107-P317 VanDerWaalsContact O-CD 3.3Å; M107-P317 WeakPolarHBondContact O-CD 3.35Å
108	V	98.9	Very high	92.5	Very high	10 Å²	10	38.3 Å²	38.3	6%	0.061	20%	0.201	C	C	.	.			trans	-134.7	155	179.1	-65.5	0	0	0	0	111.3	C89 T92 P177 A238 T315	C89-V108 WeakPolarHBondContact CA-O 3.41Å; C89-V108 WeakPolarHBondContact CB-O 3.31Å; C89-V108 PolarHBondContact O-N 3.02Å; T92-V108 HydrophobicContact CG2-CG1 4.25Å; V108-P177 HydrophobicContact CB-CG 4.15Å; V108-P177 HydrophobicContact CG2-CB 4.16Å; V108-P177 HydrophobicContact CG2-CG 3.86Å; V108-A238 HydrophobicContact CG1-CB 4.05Å; V108-A238 HydrophobicContact CG2-CB 4.12Å; V108-T315 WeakPolarHBondContact CA-O 3.45Å; V108-T315 HydrophobicContact CB-CG2 4.14Å; V108-T315 HydrophobicContact CG1-CG2 4.32Å
109	A	98.9	Very high	93.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.194	C	C	.	.			trans	-90.4	138.8	168.6	0	0	0	0	0	110.6	Y115 F122 L175 T315	A109-Y115 HydrophobicContact CB-CD2 3.89Å; A109-Y115 HydrophobicContact CB-CE2 3.3Å; A109-F122 HydrophobicContact CB-CE1 4.46Å; A109-F122 HydrophobicContact CB-CZ 4.18Å; A109-L175 HydrophobicContact CB-CD1 3.85Å; A109-T315 PolarHBondContact N-O 2.76Å
110	G	98.8	Very high	94.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-89.2	-25.9	174.7	0	0	0	0	0	113	S114 L175 C178	G110-S114 PolarHBondContact N-OG 3.39Å; G110-L175 WeakPolarHBondContact O-CA 3.44Å; G110-L175 WeakPolarHBondContact O-CB 3.27Å; G110-L175 PolarHBondContact O-N 2.86Å; G110-C178 VanDerWaalsContact O-CB 3.24Å; G110-C178 WeakPolarHBondContact O-CB 3.37Å
111	D	98.9	Very high	95.3	Very high	2 Å²	2	33 Å²	33	1%	0.011	16%	0.163	C	C	.	.	S	Bend	trans	-155.6	178	-177.9	50	29.3	0	0	0	110	T80 E113 S114	T80-D111 WeakPolarHBondContact CB-OD2 3.32Å; T80-D111 WeakPolarHBondContact CG2-OD1 3.38Å; T80-D111 PolarHBondContact OG1-OD2 3.49Å; D111-E113 VanDerWaalsContact C-N 3.31Å; D111-E113 PolarHBondContact O-N 2.97Å; D111-S114 PolarHBondContact N-OG 3.24Å; D111-S114 WeakPolarHBondContact O-CB 3.43Å; D111-S114 PolarHBondContact O-N 2.93Å; D111-S114 PolarHBondContact O-OG 3.33Å; D111-S114 WeakPolarHBondContact OD1-CB 3.28Å; D111-S114 PolarHBondContact OD1-N 2.92Å; D111-S114 PolarHBondContact OD1-OG 2.93Å
112	E	98.8	Very high	96.7	Very high	33 Å²	33	26.2 Å²	26.2	15%	0.154	13%	0.134	C	C	.	.	S	Bend	trans	-64.5	-39.9	-178.4	-168.6	168.3	-166.6	0	0	110.8	S114 Y115 R171 M305 I313	E112-S114 VanDerWaalsContact C-N 3.28Å; E112-S114 PolarHBondContact O-N 3.06Å; E112-Y115 PolarHBondContact O-N 3.41Å; E112-R171 IonicContact OE1-CZ 2.65Å; E112-R171 IonicContact OE1-NE 3.03Å; E112-R171 PolarHBondContact OE1-NE 2.95Å; E112-R171 IonicContact OE1-NH2 3.34Å; E112-R171 PolarHBondContact OE1-NH2 2.96Å; E112-R171 WeakPolarHBondContact OE2-CG 3.44Å; E112-R171 IonicContact OE2-CZ 3.66Å; E112-R171 IonicContact OE2-NE 3.85Å; E112-R171 PolarHBondContact OE2-NE 3.01Å; E112-R171 IonicContact OE2-NH2 2.77Å; E112-M305 HydrophobicContact CB-CE 4.13Å; E112-M305 HydrophobicContact CB-CG 4.3Å; E112-M305 HydrophobicContact CB-SD 3.83Å; E112-M305 HydrophobicContact CG-CB 4.24Å; E112-M305 HydrophobicContact CG-CG 4.24Å; E112-M305 HydrophobicContact CG-SD 4.25Å; E112-I313 HydrophobicContact CG-CG1 4.46Å
113	E	98.9	Very high	97.8	Very high	70 Å²	70	23.2 Å²	23.2	33%	0.327	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-23.7	-177	-63.2	80.8	-178.6	0	0	113.2	P81 D111 Y115 E116 V117	P81-E113 HydrophobicContact CG-CG 4.06Å; D111-E113 VanDerWaalsContact C-N 3.31Å; D111-E113 PolarHBondContact O-N 2.97Å; E113-Y115 PolarHBondContact O-N 3.4Å; E113-Y115 VanDerWaalsContact O-N 3.15Å; E113-E116 PolarHBondContact O-N 3Å; E113-V117 HydrophobicContact CB-CG2 4.44Å; E113-V117 WeakPolarHBondContact O-CG2 3.44Å; E113-V117 PolarHBondContact O-N 2.91Å
114	S	98.9	Very high	98.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-49.5	-40.5	174.7	-68.6	0	0	0	0	112.3	G110 D111 E112 E116 F118 F122	G110-S114 PolarHBondContact N-OG 3.39Å; D111-S114 PolarHBondContact N-OG 3.24Å; D111-S114 WeakPolarHBondContact O-CB 3.43Å; D111-S114 PolarHBondContact O-N 2.93Å; D111-S114 PolarHBondContact O-OG 3.33Å; D111-S114 WeakPolarHBondContact OD1-CB 3.28Å; D111-S114 PolarHBondContact OD1-N 2.92Å; D111-S114 PolarHBondContact OD1-OG 2.93Å; E112-S114 VanDerWaalsContact C-N 3.28Å; E112-S114 PolarHBondContact O-N 3.06Å; S114-E116 PolarHBondContact O-N 3.48Å; S114-F118 WeakPolarHBondContact O-CB 3.45Å; S114-F118 WeakPolarHBondContact O-CD2 3.35Å; S114-F118 PolarHBondContact O-N 3.38Å; S114-F118 VanDerWaalsContact O-N 3.13Å; S114-F122 WeakPolarHBondContact O-CD2 3.48Å; S114-F122 VanDerWaalsContact O-CE2 3.31Å; S114-F122 WeakPolarHBondContact O-CE2 3.38Å
115	Y	98.8	Very high	98.6	Very high	1 Å²	1	21 Å²	21	0%	0.004	11%	0.112	C	C	.	.	H	α-helix	trans	-70.6	-15.5	-179.7	-75.6	-73.9	0	0	0	114	A109 E112 E113 F122 I126 R309 L310 I313 L314 P317 L320	A109-Y115 HydrophobicContact CB-CD2 3.89Å; A109-Y115 HydrophobicContact CB-CE2 3.3Å; E112-Y115 PolarHBondContact O-N 3.41Å; E113-Y115 PolarHBondContact O-N 3.4Å; E113-Y115 VanDerWaalsContact O-N 3.15Å; Y115-F122 HydrophobicContact CD1-CB 4.24Å; Y115-F122 AromaticContact CD1-CD1 3.64Å; Y115-F122 HydrophobicContact CD1-CD1 3.64Å; Y115-F122 HydrophobicContact CD1-CD2 4.47Å; Y115-F122 HydrophobicContact CD1-CE1 4.04Å; Y115-F122 AromaticContact CD1-CG 3.88Å; Y115-F122 HydrophobicContact CD1-CG 3.88Å; Y115-F122 AromaticContact CE1-CD1 3.5Å; Y115-F122 HydrophobicContact CE1-CD1 3.5Å; Y115-F122 AromaticContact CE1-CE1 3.68Å; Y115-F122 HydrophobicContact CE1-CE1 3.68Å; Y115-F122 HydrophobicContact CE1-CG 4.23Å; Y115-I126 HydrophobicContact CD1-CD1 4.23Å; Y115-I126 HydrophobicContact CE1-CD1 4.32Å; Y115-R309 PolarHBondContact O-NH2 3.22Å; Y115-L310 HydrophobicContact CD1-CD1 3.78Å; Y115-L310 HydrophobicContact CG-CD1 3.79Å; Y115-I313 HydrophobicContact CD2-CD1 4.2Å; Y115-I313 HydrophobicContact CD2-CG2 3.71Å; Y115-I313 HydrophobicContact CE2-CG2 3.54Å; Y115-L314 WeakPolarHBondContact CE2-O 3.28Å; Y115-L314 PolarHBondContact OH-O 3.23Å; Y115-P317 HydrophobicContact CE1-CB 4.48Å; Y115-P317 HydrophobicContact CE1-CG 4.2Å; Y115-L320 HydrophobicContact CD1-CD1 4.34Å; Y115-L320 HydrophobicContact CE1-CD1 3.71Å; Y115-L320 HydrophobicContact CE1-CD2 4.08Å; Y115-L320 HydrophobicContact CE1-CG 4.3Å; Y115-L320 HydrophobicContact CE2-CD2 4.17Å
116	E	98.8	Very high	98.7	Very high	149 Å²	149	20.6 Å²	20.6	70%	0.696	11%	0.11	S	C	*	.	H	α-helix	trans	-100.5	-51.6	175.9	-176.1	175.8	176.9	0	0	111	E113 S114 F118 A119	E113-E116 PolarHBondContact O-N 3Å; S114-E116 PolarHBondContact O-N 3.48Å; E116-F118 PolarHBondContact O-N 3.2Å; E116-A119 VanDerWaalsContact O-CB 3.31Å; E116-A119 WeakPolarHBondContact O-CB 3.25Å; E116-A119 PolarHBondContact O-N 2.96Å; E116-A119 VanDerWaalsContact O-N 3.15Å
117	V	98.8	Very high	98.7	Very high	36 Å²	36	24.6 Å²	24.6	22%	0.218	13%	0.126	C	C	.	.	H	α-helix	trans	-58	-39.6	-178.5	175.2	0	0	0	0	111.5	K78 T80 E113	K78-V117 HydrophobicContact CB-CG1 4Å; K78-V117 HydrophobicContact CD-CG1 4.33Å; T80-V117 HydrophobicContact CG2-CB 4.32Å; T80-V117 HydrophobicContact CG2-CG2 4.26Å; E113-V117 HydrophobicContact CB-CG2 4.44Å; E113-V117 WeakPolarHBondContact O-CG2 3.44Å; E113-V117 PolarHBondContact O-N 2.91Å
118	F	98.9	Very high	98.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	25.3	-179.1	-47.7	-66	0	0	0	112.7	L75 K78 T80 W84 L86 S114 E116 D120 I121 F122	L75-F118 HydrophobicContact CB-CD1 4.32Å; L75-F118 HydrophobicContact CD1-CB 4.32Å; L75-F118 HydrophobicContact CD1-CD1 4.44Å; K78-F118 HydrophobicContact CB-CE1 4Å; T80-F118 HydrophobicContact CG2-CE2 3.68Å; T80-F118 HydrophobicContact CG2-CZ 4.28Å; W84-F118 WeakPolarHBondContact O-CZ 3.23Å; L86-F118 HydrophobicContact CB-CD1 4.15Å; L86-F118 HydrophobicContact CB-CE1 3.96Å; L86-F118 HydrophobicContact CD1-CD1 4.33Å; S114-F118 WeakPolarHBondContact O-CB 3.45Å; S114-F118 WeakPolarHBondContact O-CD2 3.35Å; S114-F118 PolarHBondContact O-N 3.38Å; S114-F118 VanDerWaalsContact O-N 3.13Å; E116-F118 PolarHBondContact O-N 3.2Å; F118-D120 PolarHBondContact O-N 3.07Å; F118-D120 VanDerWaalsContact O-N 3.09Å; F118-I121 HydrophobicContact CB-CG2 4Å; F118-I121 WeakPolarHBondContact O-CG2 3.41Å; F118-I121 PolarHBondContact O-N 2.9Å; F118-F122 HydrophobicContact CB-CD2 3.71Å; F118-F122 HydrophobicContact CB-CE2 3.81Å; F118-F122 HydrophobicContact CD2-CE2 4.23Å; F118-F122 WeakPolarHBondContact O-CD2 3.33Å; F118-F122 PolarHBondContact O-N 3.37Å
119	A	98.8	Very high	98.3	Very high	20 Å²	20	29.3 Å²	29.3	17%	0.165	15%	0.147	C	C	.	.	H	α-helix	trans	-53.3	-33.3	-178.2	0	0	0	0	0	113.5	E116 I121 F122 D123	E116-A119 VanDerWaalsContact O-CB 3.31Å; E116-A119 WeakPolarHBondContact O-CB 3.25Å; E116-A119 PolarHBondContact O-N 2.96Å; E116-A119 VanDerWaalsContact O-N 3.15Å; A119-I121 PolarHBondContact O-N 3.19Å; A119-I121 VanDerWaalsContact O-N 3.12Å; A119-F122 PolarHBondContact O-N 3.02Å; A119-D123 VanDerWaalsContact O-CB 3.24Å; A119-D123 WeakPolarHBondContact O-CB 3.4Å; A119-D123 VanDerWaalsContact O-CG 3.22Å; A119-D123 PolarHBondContact O-N 3.24Å
120	D	98.7	Very high	98.1	Very high	49 Å²	49	29.4 Å²	29.4	26%	0.262	15%	0.148	S	C	.	.	H	α-helix	trans	-61.6	-21.9	179.4	-72.9	-23.3	0	0	0	114.1	K74 L75 F118 P124	K74-D120 WeakPolarHBondContact CD-OD2 3.29Å; K74-D120 WeakPolarHBondContact CE-OD2 3.45Å; K74-D120 IonicContact NZ-OD2 2.91Å; K74-D120 PolarHBondContact NZ-OD2 3.03Å; L75-D120 HydrophobicContact CD1-CB 4.12Å; F118-D120 PolarHBondContact O-N 3.07Å; F118-D120 VanDerWaalsContact O-N 3.09Å; D120-P124 WeakPolarHBondContact O-CD 3.2Å; D120-P124 WeakPolarHBondContact O-CG 3.38Å
121	I	98.8	Very high	97.8	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-104.6	-36.8	170.1	-175.5	59.6	0	0	0	112.4	L67 I71 L75 L86 M107 F118 A119 P124 V125	L67-I121 HydrophobicContact CB-CD1 4.16Å; L67-I121 HydrophobicContact CD1-CD1 4.14Å; L67-I121 HydrophobicContact CD1-CG1 4.39Å; I71-I121 HydrophobicContact CG2-CB 3.95Å; L75-I121 HydrophobicContact CD1-CB 4.21Å; L75-I121 HydrophobicContact CD1-CG2 3.75Å; L86-I121 HydrophobicContact CD1-CG2 3.83Å; M107-I121 HydrophobicContact CE-CG1 4.18Å; M107-I121 HydrophobicContact CE-CG2 3.91Å; M107-I121 HydrophobicContact SD-CG1 4.07Å; F118-I121 HydrophobicContact CB-CG2 4Å; F118-I121 WeakPolarHBondContact O-CG2 3.41Å; F118-I121 PolarHBondContact O-N 2.9Å; A119-I121 PolarHBondContact O-N 3.19Å; A119-I121 VanDerWaalsContact O-N 3.12Å; I121-P124 WeakPolarHBondContact O-CD 3.34Å; I121-P124 WeakPolarHBondContact O-CG 3.42Å; I121-V125 HydrophobicContact CD1-CG2 4.16Å; I121-V125 HydrophobicContact CG1-CG2 4.43Å; I121-V125 WeakPolarHBondContact O-CB 3.31Å; I121-V125 VanDerWaalsContact O-CG2 3.25Å; I121-V125 WeakPolarHBondContact O-CG2 3.41Å; I121-V125 PolarHBondContact O-N 2.81Å
122	F	98.9	Very high	97.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.9	-44.1	179.3	-84.6	-76.1	0	0	0	112.1	M107 A109 S114 Y115 F118 A119 V125 I126 P317	M107-F122 HydrophobicContact CE-CD1 3.68Å; M107-F122 HydrophobicContact CE-CD2 3.85Å; M107-F122 HydrophobicContact CE-CE1 3.48Å; M107-F122 VanDerWaalsContact CE-CE1 3.48Å; M107-F122 HydrophobicContact CE-CE2 3.64Å; M107-F122 HydrophobicContact CE-CG 3.88Å; M107-F122 HydrophobicContact CE-CZ 3.45Å; M107-F122 VanDerWaalsContact CE-CZ 3.45Å; M107-F122 HydrophobicContact CG-CE1 4.33Å; M107-F122 HydrophobicContact SD-CD1 4.13Å; M107-F122 HydrophobicContact SD-CE1 4.22Å; A109-F122 HydrophobicContact CB-CE1 4.46Å; A109-F122 HydrophobicContact CB-CZ 4.18Å; S114-F122 WeakPolarHBondContact O-CD2 3.48Å; S114-F122 VanDerWaalsContact O-CE2 3.31Å; S114-F122 WeakPolarHBondContact O-CE2 3.38Å; Y115-F122 HydrophobicContact CD1-CB 4.24Å; Y115-F122 AromaticContact CD1-CD1 3.64Å; Y115-F122 HydrophobicContact CD1-CD1 3.64Å; Y115-F122 HydrophobicContact CD1-CD2 4.47Å; Y115-F122 HydrophobicContact CD1-CE1 4.04Å; Y115-F122 AromaticContact CD1-CG 3.88Å; Y115-F122 HydrophobicContact CD1-CG 3.88Å; Y115-F122 AromaticContact CE1-CD1 3.5Å; Y115-F122 HydrophobicContact CE1-CD1 3.5Å; Y115-F122 AromaticContact CE1-CE1 3.68Å; Y115-F122 HydrophobicContact CE1-CE1 3.68Å; Y115-F122 HydrophobicContact CE1-CG 4.23Å; F118-F122 HydrophobicContact CB-CD2 3.71Å; F118-F122 HydrophobicContact CB-CE2 3.81Å; F118-F122 HydrophobicContact CD2-CE2 4.23Å; F118-F122 WeakPolarHBondContact O-CD2 3.33Å; F118-F122 PolarHBondContact O-N 3.37Å; A119-F122 PolarHBondContact O-N 3.02Å; F122-V125 PolarHBondContact O-N 3.28Å; F122-I126 HydrophobicContact CB-CD1 4.21Å; F122-I126 WeakPolarHBondContact O-CB 3.49Å; F122-I126 WeakPolarHBondContact O-CD1 3.49Å; F122-I126 WeakPolarHBondContact O-CG1 3.27Å; F122-I126 PolarHBondContact O-N 3.31Å; F122-P317 HydrophobicContact CD1-CG 3.8Å; F122-P317 HydrophobicContact CE1-CG 3.69Å
123	D	98.7	Very high	97.5	Very high	12 Å²	12	32.8 Å²	32.8	6%	0.064	17%	0.174	C	C	.	.	H	α-helix	trans	-60.3	-49.6	-176.8	-66.9	-14.3	0	0	0	113.5	A119 V125 I126 K127 P135 K136 R309	A119-D123 VanDerWaalsContact O-CB 3.24Å; A119-D123 WeakPolarHBondContact O-CB 3.4Å; A119-D123 VanDerWaalsContact O-CG 3.22Å; A119-D123 PolarHBondContact O-N 3.24Å; D123-V125 VanDerWaalsContact C-N 3.33Å; D123-V125 PolarHBondContact O-N 2.98Å; D123-I126 PolarHBondContact O-N 2.82Å; D123-K127 WeakPolarHBondContact O-CB 3.31Å; D123-K127 PolarHBondContact O-N 2.83Å; D123-P135 HydrophobicContact CB-CG 3.78Å; D123-P135 VanDerWaalsContact OD1-CG 3.29Å; D123-P135 WeakPolarHBondContact OD1-CG 3.34Å; D123-K136 HydrophobicContact CB-CG 4.45Å; D123-K136 WeakPolarHBondContact OD2-CE 3.48Å; D123-K136 WeakPolarHBondContact OD2-CG 3.38Å; D123-R309 IonicContact OD1-NH1 2.89Å; D123-R309 PolarHBondContact OD1-NH1 3.49Å
124	P	98.4	Very high	97.4	Very high	44 Å²	44	30.8 Å²	30.8	29%	0.286	17%	0.166	S	C	.	.	H	α-helix	trans	-64.5	-35.3	175.3	23.4	-32.5	0	0	0	112.8	D120 I121 K127 D128	D120-P124 WeakPolarHBondContact O-CD 3.2Å; D120-P124 WeakPolarHBondContact O-CG 3.38Å; I121-P124 WeakPolarHBondContact O-CD 3.34Å; I121-P124 WeakPolarHBondContact O-CG 3.42Å; P124-K127 PolarHBondContact O-N 2.93Å; P124-D128 PolarHBondContact O-N 2.9Å
125	V	98.6	Very high	97.3	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.6	-42.7	175.6	167.3	0	0	0	0	111.6	C62 S66 V105 M107 I121 F122 D123 K127 D128 R129	C62-V125 HydrophobicContact CB-CG1 3.93Å; S66-V125 WeakPolarHBondContact OG-CG2 3.43Å; V105-V125 HydrophobicContact CG1-CG1 3.57Å; M107-V125 HydrophobicContact CG-CG1 4.26Å; M107-V125 HydrophobicContact SD-CB 4.07Å; M107-V125 HydrophobicContact SD-CG1 3.98Å; M107-V125 HydrophobicContact SD-CG2 3.77Å; I121-V125 HydrophobicContact CD1-CG2 4.16Å; I121-V125 HydrophobicContact CG1-CG2 4.43Å; I121-V125 WeakPolarHBondContact O-CB 3.31Å; I121-V125 VanDerWaalsContact O-CG2 3.25Å; I121-V125 WeakPolarHBondContact O-CG2 3.41Å; I121-V125 PolarHBondContact O-N 2.81Å; F122-V125 PolarHBondContact O-N 3.28Å; D123-V125 VanDerWaalsContact C-N 3.33Å; D123-V125 PolarHBondContact O-N 2.98Å; V125-K127 VanDerWaalsContact C-N 3.32Å; V125-D128 PolarHBondContact O-N 3.43Å; V125-R129 VanDerWaalsContact O-CB 3.25Å; V125-R129 WeakPolarHBondContact O-CB 3.16Å; V125-R129 PolarHBondContact O-N 3.21Å
126	I	98.6	Very high	97.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.2	-45.4	175	-72	165	0	0	0	109.4	Y115 F122 D123 R129 H130 Y133 P135 L310 P317 L320 L375	Y115-I126 HydrophobicContact CD1-CD1 4.23Å; Y115-I126 HydrophobicContact CE1-CD1 4.32Å; F122-I126 HydrophobicContact CB-CD1 4.21Å; F122-I126 WeakPolarHBondContact O-CB 3.49Å; F122-I126 WeakPolarHBondContact O-CD1 3.49Å; F122-I126 WeakPolarHBondContact O-CG1 3.27Å; F122-I126 PolarHBondContact O-N 3.31Å; D123-I126 PolarHBondContact O-N 2.82Å; I126-R129 PolarHBondContact O-N 2.91Å; I126-H130 WeakPolarHBondContact O-CB 3.41Å; I126-H130 PolarHBondContact O-CD2 2.92Å; I126-H130 VanDerWaalsContact O-CD2 3.31Å; I126-H130 PolarHBondContact O-N 3.02Å; I126-Y133 HydrophobicContact CG2-CD1 4.31Å; I126-P135 HydrophobicContact CB-CG 4.4Å; I126-P135 HydrophobicContact CG2-CG 4.11Å; I126-L310 HydrophobicContact CD1-CD1 4.5Å; I126-L310 HydrophobicContact CD1-CD2 3.98Å; I126-P317 HydrophobicContact CG1-CB 4.16Å; I126-L320 HydrophobicContact CD1-CD1 3.48Å; I126-L320 VanDerWaalsContact CD1-CD1 3.48Å; I126-L320 HydrophobicContact CG1-CD1 3.74Å; I126-L375 HydrophobicContact CG2-CD2 3.61Å
127	K	97.2	Very high	97.1	Very high	89 Å²	89	35.6 Å²	35.6	39%	0.387	20%	0.195	S	C	.	.	H	α-helix	trans	-61.6	-46	178.7	-171	174.1	-174.3	165.5	0	112.8	D123 P124 V125 N131 G132 Y133 D134	D123-K127 WeakPolarHBondContact O-CB 3.31Å; D123-K127 PolarHBondContact O-N 2.83Å; P124-K127 PolarHBondContact O-N 2.93Å; V125-K127 VanDerWaalsContact C-N 3.32Å; K127-N131 PolarHBondContact O-N 3.47Å; K127-G132 PolarHBondContact O-N 3.35Å; K127-Y133 VanDerWaalsContact CA-O 3.24Å; K127-Y133 WeakPolarHBondContact CA-O 3.41Å; K127-D134 HydrophobicContact CD-CB 4.23Å; K127-D134 IonicContact NZ-OD2 3.55Å; K127-D134 PolarHBondContact NZ-OD2 3.05Å
128	D	94.9	Very high	97.1	Very high	66 Å²	66	36.4 Å²	36.4	35%	0.353	20%	0.197	S	C	.	.	H	α-helix	trans	-61.8	-50.5	174.2	-179.1	30.9	0	0	0	110.5	C62 K103 P124 V125 H130 N131	C62-D128 PolarHBondContact SG-OD2 3.01Å; K103-D128 IonicContact NZ-OD1 2.6Å; K103-D128 PolarHBondContact NZ-OD1 3.23Å; K103-D128 IonicContact NZ-OD2 3.16Å; K103-D128 PolarHBondContact NZ-OD2 3.32Å; P124-D128 PolarHBondContact O-N 2.9Å; V125-D128 PolarHBondContact O-N 3.43Å; D128-H130 VanDerWaalsContact C-N 3.33Å; D128-H130 PolarHBondContact O-N 3.47Å; D128-N131 PolarHBondContact O-N 3.28Å
129	R	94.9	Very high	97	Very high	45 Å²	45	42.7 Å²	42.7	17%	0.17	22%	0.224	C	C	.	.	H	α-helix	trans	-66	-34	-174.5	-178.3	58.9	-170.1	94.4	-7.3	113.5	V105 V125 I126	V105-R129 HydrophobicContact CG2-CG 4.02Å; V125-R129 VanDerWaalsContact O-CB 3.25Å; V125-R129 WeakPolarHBondContact O-CB 3.16Å; V125-R129 PolarHBondContact O-N 3.21Å; I126-R129 PolarHBondContact O-N 2.91Å
130	H	94.9	Very high	97	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.009	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	29	-177.5	-63.1	-81	0	0	0	112.8	I126 D128 G132 Y133 P317 S318 L375 Q414	I126-H130 WeakPolarHBondContact O-CB 3.41Å; I126-H130 PolarHBondContact O-CD2 2.92Å; I126-H130 VanDerWaalsContact O-CD2 3.31Å; I126-H130 PolarHBondContact O-N 3.02Å; D128-H130 VanDerWaalsContact C-N 3.33Å; D128-H130 PolarHBondContact O-N 3.47Å; H130-G132 VanDerWaalsContact C-N 3.33Å; H130-G132 PolarHBondContact O-N 3.4Å; H130-Y133 PolarHBondContact O-N 2.97Å; H130-P317 PolarHBondContact NE2-O 3.3Å; H130-S318 PolarHBondContact CE1-O 2.89Å; H130-S318 VanDerWaalsContact CE1-O 3.25Å; H130-L375 HydrophobicContact CB-CB 4.22Å; H130-L375 HydrophobicContact CB-CD2 4.5Å; H130-L375 WeakPolarHBondContact ND1-CB 3.36Å; H130-Q414 PolarHBondContact O-NE2 3.2Å
131	N	91	Very high	96.9	Very high	74 Å²	74	42.6 Å²	42.6	40%	0.396	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	43.3	168.4	-54.2	-74.1	0	0	0	114	K127 D128 R349 Q414	K127-N131 PolarHBondContact O-N 3.47Å; D128-N131 PolarHBondContact O-N 3.28Å; N131-R349 PolarHBondContact ND2-NH2 3.09Å; N131-Q414 HydrophobicContact CB-CG 4.21Å
132	G	94.3	Very high	96.9	Very high	31 Å²	31	45.2 Å²	45.2	32%	0.32	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.3	1.5	174.7	0	0	0	0	0	115.4	K127 H130 D134	K127-G132 PolarHBondContact O-N 3.35Å; H130-G132 VanDerWaalsContact C-N 3.33Å; H130-G132 PolarHBondContact O-N 3.4Å; G132-D134 PolarHBondContact O-N 3.19Å; G132-D134 VanDerWaalsContact O-N 3.11Å
133	Y	96.9	Very high	96.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.25	C	C	.	.			trans	-63	114.5	171.8	-176.9	-89.7	0	0	0	108.9	I126 K127 H130 P135 M138 K139 H140 R309 L375 G376 F415	I126-Y133 HydrophobicContact CG2-CD1 4.31Å; K127-Y133 VanDerWaalsContact CA-O 3.24Å; K127-Y133 WeakPolarHBondContact CA-O 3.41Å; H130-Y133 PolarHBondContact O-N 2.97Å; Y133-P135 HydrophobicContact CE1-CB 4.2Å; Y133-P135 WeakPolarHBondContact O-CD 3.32Å; Y133-M138 HydrophobicContact CD2-CB 4.11Å; Y133-M138 HydrophobicContact CD2-CE 3.88Å; Y133-M138 HydrophobicContact CD2-SD 3.91Å; Y133-M138 HydrophobicContact CE1-CB 4.45Å; Y133-M138 HydrophobicContact CE2-CB 3.63Å; Y133-M138 HydrophobicContact CE2-CE 4.21Å; Y133-M138 HydrophobicContact CE2-SD 4.38Å; Y133-M138 HydrophobicContact CG-SD 4.32Å; Y133-M138 PolarHBondContact OH-O 2.87Å; Y133-K139 WeakPolarHBondContact OH-CA 3.46Å; Y133-H140 PolarHBondContact OH-N 2.78Å; Y133-H140 VanDerWaalsContact OH-N 3.12Å; Y133-R309 WeakPolarHBondContact CE1-O 3.3Å; Y133-R309 PolarHBondContact OH-O 3.02Å; Y133-L375 HydrophobicContact CD1-CD1 4.48Å; Y133-L375 HydrophobicContact CD1-CD2 3.24Å; Y133-L375 HydrophobicContact CD1-CG 3.56Å; Y133-L375 HydrophobicContact CD2-CG 4.17Å; Y133-L375 HydrophobicContact CE1-CD1 4.06Å; Y133-L375 HydrophobicContact CE1-CD2 3.48Å; Y133-L375 VanDerWaalsContact CE1-CD2 3.48Å; Y133-L375 HydrophobicContact CE1-CG 3.63Å; Y133-L375 HydrophobicContact CE2-CG 4.23Å; Y133-L375 HydrophobicContact CG-CD2 3.91Å; Y133-L375 HydrophobicContact CG-CG 3.83Å; Y133-G376 VanDerWaalsContact CD2-CA 3.5Å; Y133-F415 VanDerWaalsContact CA-CZ 3.43Å; Y133-F415 AromaticContact CD2-CE1 3.92Å; Y133-F415 HydrophobicContact CD2-CE1 3.92Å; Y133-F415 HydrophobicContact CD2-CZ 4.32Å; Y133-F415 HydrophobicContact CG-CE1 4.43Å; Y133-F415 HydrophobicContact CG-CZ 4.44Å
134	D	97.3	Very high	96.8	Very high	29 Å²	29	47.4 Å²	47.4	16%	0.155	25%	0.251	C	S	.	.			trans	-102.3	104.1	-177.3	-165.4	-28.4	0	0	0	110	K127 G132 K136 T137 M138	K127-D134 HydrophobicContact CD-CB 4.23Å; K127-D134 IonicContact NZ-OD2 3.55Å; K127-D134 PolarHBondContact NZ-OD2 3.05Å; G132-D134 PolarHBondContact O-N 3.19Å; G132-D134 VanDerWaalsContact O-N 3.11Å; D134-K136 PolarHBondContact O-N 2.81Å; D134-K136 WeakPolarHBondContact OD1-CB 3.32Å; D134-K136 PolarHBondContact OD1-N 3.47Å; D134-K136 VanDerWaalsContact OD1-N 3.08Å; D134-T137 PolarHBondContact O-N 2.96Å; D134-M138 HydrophobicContact CB-CG 4.49Å; D134-M138 PolarHBondContact N-SD 3.18Å; D134-M138 VanDerWaalsContact N-SD 3.37Å; D134-M138 VanDerWaalsContact O-CB 3.29Å; D134-M138 WeakPolarHBondContact O-CB 3.38Å; D134-M138 WeakPolarHBondContact O-CG 3.21Å; D134-M138 PolarHBondContact O-N 2.81Å
135	P	97.3	Very high	96.9	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.032	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-9.5	-176.9	29.7	-36.7	0	0	0	113.4	D123 I126 Y133 L310	D123-P135 HydrophobicContact CB-CG 3.78Å; D123-P135 VanDerWaalsContact OD1-CG 3.29Å; D123-P135 WeakPolarHBondContact OD1-CG 3.34Å; I126-P135 HydrophobicContact CB-CG 4.4Å; I126-P135 HydrophobicContact CG2-CG 4.11Å; Y133-P135 HydrophobicContact CE1-CB 4.2Å; Y133-P135 WeakPolarHBondContact O-CD 3.32Å; P135-L310 HydrophobicContact CB-CD2 3.58Å; P135-L310 HydrophobicContact CG-CD2 4.47Å
136	K	96.9	Very high	96.8	Very high	131 Å²	131	49 Å²	49	57%	0.57	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-25.2	174.4	-60.6	-173.7	176.4	-173.6	0	113	D123 D134	D123-K136 HydrophobicContact CB-CG 4.45Å; D123-K136 WeakPolarHBondContact OD2-CE 3.48Å; D123-K136 WeakPolarHBondContact OD2-CG 3.38Å; D134-K136 PolarHBondContact O-N 2.81Å; D134-K136 WeakPolarHBondContact OD1-CB 3.32Å; D134-K136 PolarHBondContact OD1-N 3.47Å; D134-K136 VanDerWaalsContact OD1-N 3.08Å
137	T	97.3	Very high	96.8	Very high	114 Å²	114	52.9 Å²	52.9	70%	0.699	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127	-12.6	-171.8	62.7	0	0	0	0	113.6	D134	D134-T137 PolarHBondContact O-N 2.96Å
138	M	97.3	Very high	96.9	Very high	54 Å²	54	53.3 Å²	53.3	27%	0.266	29%	0.288	S	S	.	.			trans	-113.4	156.3	-177.3	-56.5	-177.2	70.7	0	0	111.6	Y133 D134 F415	Y133-M138 HydrophobicContact CD2-CB 4.11Å; Y133-M138 HydrophobicContact CD2-CE 3.88Å; Y133-M138 HydrophobicContact CD2-SD 3.91Å; Y133-M138 HydrophobicContact CE1-CB 4.45Å; Y133-M138 HydrophobicContact CE2-CB 3.63Å; Y133-M138 HydrophobicContact CE2-CE 4.21Å; Y133-M138 HydrophobicContact CE2-SD 4.38Å; Y133-M138 HydrophobicContact CG-SD 4.32Å; Y133-M138 PolarHBondContact OH-O 2.87Å; D134-M138 HydrophobicContact CB-CG 4.49Å; D134-M138 PolarHBondContact N-SD 3.18Å; D134-M138 VanDerWaalsContact N-SD 3.37Å; D134-M138 VanDerWaalsContact O-CB 3.29Å; D134-M138 WeakPolarHBondContact O-CB 3.38Å; D134-M138 WeakPolarHBondContact O-CG 3.21Å; D134-M138 PolarHBondContact O-N 2.81Å; M138-F415 HydrophobicContact CE-CB 4.15Å; M138-F415 HydrophobicContact CE-CD1 3.79Å; M138-F415 HydrophobicContact CE-CD2 3.95Å; M138-F415 HydrophobicContact CE-CE1 4.22Å; M138-F415 HydrophobicContact CE-CE2 4.35Å; M138-F415 HydrophobicContact CE-CG 3.67Å; M138-F415 HydrophobicContact CE-CZ 4.49Å
139	K	97.6	Very high	97	Very high	132 Å²	132	50.1 Å²	50.1	57%	0.574	27%	0.271	S	S	*	.			trans	-120.3	148.7	175	-68.1	175.2	165.7	-157.8	0	109.5	Y133 E308	Y133-K139 WeakPolarHBondContact OH-CA 3.46Å; K139-E308 HydrophobicContact CB-CG 4.19Å; K139-E308 VanDerWaalsContact CD-CD 3.45Å; K139-E308 HydrophobicContact CD-CG 3.93Å; K139-E308 VanDerWaalsContact CD-OE1 3.23Å; K139-E308 WeakPolarHBondContact CD-OE1 3.24Å; K139-E308 VanDerWaalsContact CE-OE1 3.27Å; K139-E308 WeakPolarHBondContact CE-OE1 3.48Å; K139-E308 WeakPolarHBondContact CE-OE2 3.37Å; K139-E308 HydrophobicContact CG-CG 3.99Å; K139-E308 IonicContact NZ-OE1 2.73Å; K139-E308 PolarHBondContact NZ-OE1 2.94Å; K139-E308 IonicContact NZ-OE2 3.65Å; K139-E308 PolarHBondContact NZ-OE2 2.85Å
140	H	97.9	Very high	97	Very high	11 Å²	11	51.6 Å²	51.6	5%	0.051	29%	0.285	C	S	.	.			trans	-96.7	124.4	-176.6	-178.2	57.4	0	0	0	111.3	Y133 E308 G321 T322 L375 G376 K377	Y133-H140 PolarHBondContact OH-N 2.78Å; Y133-H140 VanDerWaalsContact OH-N 3.12Å; H140-E308 PolarHBondContact N-O 3.4Å; H140-G321 VanDerWaalsContact NE2-CA 3.27Å; H140-G321 WeakPolarHBondContact NE2-CA 3.32Å; H140-T322 PolarHBondContact NE2-N 3.42Å; H140-L375 HydrophobicContact CB-CD1 4.07Å; H140-G376 PolarHBondContact ND1-N 3.17Å; H140-G376 VanDerWaalsContact ND1-N 3.18Å; H140-K377 PolarHBondContact CE1-O 3.01Å; H140-K377 VanDerWaalsContact CE1-O 3.29Å
141	P	97.6	Very high	96.9	Very high	56 Å²	56	57.5 Å²	57.5	36%	0.364	32%	0.317	S	S	.	.			trans	-81	133.3	172.5	31.9	-33.3	0	0	0	111.3	S378	P141-S378 WeakPolarHBondContact O-CA 3.24Å
142	T	98.2	Very high	97.1	Very high	55 Å²	55	54.1 Å²	54.1	34%	0.337	30%	0.3	S	S	.	.			trans	-109.9	129.5	168.5	-65.8	0	0	0	0	109	Y312 E379	T142-Y312 HydrophobicContact CG2-CE2 4.07Å; T142-E379 WeakPolarHBondContact CA-OE2 3.33Å
143	D	98.5	Very high	97.3	Very high	40 Å²	40	58 Å²	58	21%	0.214	31%	0.311	C	S	.	.			trans	-148.8	104	179.4	-169.3	-3	0	0	0	110.1	D145 K148 E379 V380	D143-D145 WeakPolarHBondContact OD1-CB 3.34Å; D143-D145 PolarHBondContact OD1-N 3.49Å; D143-D145 VanDerWaalsContact OD1-N 3.15Å; D143-K148 IonicContact OD1-NZ 2.64Å; D143-K148 PolarHBondContact OD1-NZ 2.82Å; D143-K148 IonicContact OD2-NZ 2.7Å; D143-K148 PolarHBondContact OD2-NZ 2.89Å; D143-E379 PolarHBondContact N-OE2 3.12Å; D143-E379 WeakPolarHBondContact O-CB 3.24Å; D143-V380 HydrophobicContact CB-CB 4.39Å; D143-V380 HydrophobicContact CB-CG2 4.36Å; D143-V380 VanDerWaalsContact O-CG2 3.31Å; D143-V380 WeakPolarHBondContact O-CG2 3.49Å; D143-V380 PolarHBondContact O-N 3.04Å
144	L	98.3	Very high	97.4	Very high	17 Å²	17	58.3 Å²	58.3	9%	0.089	31%	0.312	C	S	.	.			trans	-103.9	22.3	178.5	-68	170.3	0	0	0	112.2	A146 F286 C287 L290 E379	L144-A146 PolarHBondContact O-N 3.25Å; L144-A146 VanDerWaalsContact O-N 3.11Å; L144-F286 HydrophobicContact CD2-CE1 4.17Å; L144-C287 HydrophobicContact CB-CB 4.36Å; L144-C287 WeakPolarHBondContact O-CB 3.14Å; L144-C287 PolarHBondContact O-SG 3.28Å; L144-C287 VanDerWaalsContact O-SG 3.42Å; L144-L290 HydrophobicContact CD1-CD2 4.02Å; L144-L290 HydrophobicContact CD2-CD2 4.22Å; L144-E379 HydrophobicContact CD2-CB 3.92Å; L144-E379 HydrophobicContact CD2-CG 3.7Å
145	D	98.5	Very high	97.4	Very high	66 Å²	66	59.5 Å²	59.5	35%	0.353	32%	0.319	S	S	.	.			trans	-79.7	89.8	174.3	-177.8	4.4	0	0	0	111.4	D143 S147 K148 V380	D143-D145 WeakPolarHBondContact OD1-CB 3.34Å; D143-D145 PolarHBondContact OD1-N 3.49Å; D143-D145 VanDerWaalsContact OD1-N 3.15Å; D145-S147 VanDerWaalsContact CG-OG 3.29Å; D145-S147 PolarHBondContact O-N 3.41Å; D145-S147 VanDerWaalsContact O-N 3.1Å; D145-S147 VanDerWaalsContact OD1-CB 3.26Å; D145-S147 WeakPolarHBondContact OD1-CB 3.25Å; D145-S147 PolarHBondContact OD1-N 3.06Å; D145-S147 VanDerWaalsContact OD1-N 3.08Å; D145-S147 PolarHBondContact OD1-OG 2.99Å; D145-S147 PolarHBondContact OD2-OG 3.38Å; D145-K148 HydrophobicContact CB-CD 3.99Å; D145-K148 HydrophobicContact CB-CG 4.33Å; D145-K148 WeakPolarHBondContact O-CB 3.22Å; D145-K148 PolarHBondContact O-N 2.82Å; D145-K148 WeakPolarHBondContact OD2-CE 3.45Å; D145-K148 IonicContact OD2-NZ 2.92Å; D145-V380 WeakPolarHBondContact O-CG2 3.39Å
146	A	98.2	Very high	97.4	Very high	12 Å²	12	64.7 Å²	64.7	10%	0.099	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-60.8	-18.3	180	0	0	0	0	0	114.4	L144 K148 I149 F283 E284 C287	L144-A146 PolarHBondContact O-N 3.25Å; L144-A146 VanDerWaalsContact O-N 3.11Å; A146-K148 PolarHBondContact O-N 3.06Å; A146-I149 PolarHBondContact O-N 2.78Å; A146-F283 HydrophobicContact CB-CD1 3.74Å; A146-F283 HydrophobicContact CB-CE1 4.07Å; A146-E284 HydrophobicContact CB-CB 4.29Å; A146-E284 HydrophobicContact CB-CG 3.78Å; A146-C287 HydrophobicContact CB-CB 4.23Å
147	S	98.1	Very high	97.4	Very high	82 Å²	82	64.4 Å²	64.4	57%	0.573	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-64.4	-25.1	178.7	76.8	0	0	0	0	112.9	D145 I149	D145-S147 VanDerWaalsContact CG-OG 3.29Å; D145-S147 PolarHBondContact O-N 3.41Å; D145-S147 VanDerWaalsContact O-N 3.1Å; D145-S147 VanDerWaalsContact OD1-CB 3.26Å; D145-S147 WeakPolarHBondContact OD1-CB 3.25Å; D145-S147 PolarHBondContact OD1-N 3.06Å; D145-S147 VanDerWaalsContact OD1-N 3.08Å; D145-S147 PolarHBondContact OD1-OG 2.99Å; D145-S147 PolarHBondContact OD2-OG 3.38Å; S147-I149 PolarHBondContact O-N 3.39Å
148	K	98.4	Very high	97.5	Very high	97 Å²	97	59.2 Å²	59.2	42%	0.422	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-71.8	-14	178.5	-65.1	172.7	-177.6	156.3	0	113.8	D143 D145 A146 T150 V380	D143-K148 IonicContact OD1-NZ 2.64Å; D143-K148 PolarHBondContact OD1-NZ 2.82Å; D143-K148 IonicContact OD2-NZ 2.7Å; D143-K148 PolarHBondContact OD2-NZ 2.89Å; D145-K148 HydrophobicContact CB-CD 3.99Å; D145-K148 HydrophobicContact CB-CG 4.33Å; D145-K148 WeakPolarHBondContact O-CB 3.22Å; D145-K148 PolarHBondContact O-N 2.82Å; D145-K148 WeakPolarHBondContact OD2-CE 3.45Å; D145-K148 IonicContact OD2-NZ 2.92Å; A146-K148 PolarHBondContact O-N 3.06Å; K148-T150 PolarHBondContact O-N 2.7Å; K148-V380 HydrophobicContact CB-CG1 3.69Å; K148-V380 HydrophobicContact CB-CG2 4.41Å; K148-V380 HydrophobicContact CD-CG1 4.16Å; K148-V380 HydrophobicContact CD-CG2 4.45Å
149	I	98.2	Very high	97.5	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.296	C	S	.	.			trans	-73.1	124.5	177.1	-59.2	-54.7	0	0	0	110.3	A146 S147 K280 F283 V380 V383 Q384	A146-I149 PolarHBondContact O-N 2.78Å; S147-I149 PolarHBondContact O-N 3.39Å; I149-K280 HydrophobicContact CG2-CB 4.35Å; I149-K280 HydrophobicContact CG2-CG 4.44Å; I149-K280 PolarHBondContact O-NZ 2.78Å; I149-F283 HydrophobicContact CD1-CD1 4.1Å; I149-F283 HydrophobicContact CD1-CE1 4.03Å; I149-F283 HydrophobicContact CG1-CD1 3.4Å; I149-F283 HydrophobicContact CG1-CE1 3.72Å; I149-F283 HydrophobicContact CG1-CG 4.39Å; I149-V380 HydrophobicContact CD1-CB 4.49Å; I149-V380 HydrophobicContact CD1-CG1 4.11Å; I149-V383 HydrophobicContact CD1-CB 3.9Å; I149-V383 HydrophobicContact CD1-CG1 3.75Å; I149-V383 HydrophobicContact CG1-CG1 4.18Å; I149-Q384 HydrophobicContact CD1-CB 4.44Å
150	T	95	Very high	97.4	Very high	76 Å²	76	54 Å²	54	47%	0.466	29%	0.288	S	S	.	.			trans	-114.1	147.9	177.6	64.7	0	0	0	0	110.3	K148 G152 Q384	K148-T150 PolarHBondContact O-N 2.7Å; T150-G152 PolarHBondContact O-N 3.48Å; T150-G152 VanDerWaalsContact O-N 3.1Å; T150-Q384 PolarHBondContact O-NE2 2.84Å; T150-Q384 PolarHBondContact O-OE1 2.66Å; T150-Q384 PolarHBondContact OG1-OE1 3.44Å
151	N	92.8	Very high	97.3	Very high	125 Å²	125	54.2 Å²	54.2	67%	0.668	29%	0.291	S	S	*	.	S	Bend	trans	55.4	27.9	175.8	-55.2	-38.2	0	0	0	115.8	M153 V387	N151-M153 PolarHBondContact O-N 3.2Å; N151-V387 VanDerWaalsContact O-CG1 3.25Å; N151-V387 WeakPolarHBondContact O-CG1 3.36Å
152	G	94.6	Very high	97.3	Very high	4 Å²	4	51.6 Å²	51.6	4%	0.041	27%	0.274	C	S	.	.			trans	-78.2	29.5	-178.1	0	0	0	0	0	115.5	T150 N278 M279 K280	T150-G152 PolarHBondContact O-N 3.48Å; T150-G152 VanDerWaalsContact O-N 3.1Å; G152-N278 CarbonylContact O-C 3.5Å; G152-M279 PolarHBondContact O-N 2.98Å; G152-K280 PolarHBondContact O-N 3.48Å
153	M	98.2	Very high	97.3	Very high	111 Å²	111	51.8 Å²	51.8	55%	0.547	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-114.9	114	172.1	-179.1	66.2	89.5	0	0	108.9	N151 N278	N151-M153 PolarHBondContact O-N 3.2Å; M153-N278 HydrophobicContact CE-CB 3.8Å; M153-N278 HydrophobicContact SD-CB 3.76Å
154	F	98.5	Very high	97.3	Very high	7 Å²	7	49.9 Å²	49.9	3%	0.031	26%	0.258	C	S	.	.			trans	-89.2	161.4	179	-55.6	-53.2	0	0	0	112.8	E156 V159 G277 M279 V328 V387 V390 I394	F154-E156 PolarHBondContact O-N 3.27Å; F154-V159 HydrophobicContact CB-CB 4Å; F154-V159 HydrophobicContact CB-CG1 4.43Å; F154-V159 HydrophobicContact CB-CG2 3.67Å; F154-V159 HydrophobicContact CD2-CG1 4.19Å; F154-V159 HydrophobicContact CD2-CG2 4.19Å; F154-V159 HydrophobicContact CG-CG2 4.09Å; F154-G277 WeakPolarHBondContact CD2-O 3.46Å; F154-G277 PolarHBondContact N-O 2.94Å; F154-M279 HydrophobicContact CD2-CB 4.25Å; F154-M279 HydrophobicContact CE2-CB 3.52Å; F154-M279 HydrophobicContact CE2-CE 4.06Å; F154-M279 HydrophobicContact CE2-CG 4.17Å; F154-M279 HydrophobicContact CZ-CB 3.99Å; F154-M279 HydrophobicContact CZ-CG 4.37Å; F154-V328 HydrophobicContact CD2-CG1 3.87Å; F154-V328 HydrophobicContact CE2-CG1 3.51Å; F154-V328 HydrophobicContact CZ-CG1 4.44Å; F154-V387 HydrophobicContact CE1-CB 4.23Å; F154-V387 HydrophobicContact CE1-CG1 4.14Å; F154-V387 HydrophobicContact CE1-CG2 4.21Å; F154-V387 HydrophobicContact CZ-CB 4.28Å; F154-V387 HydrophobicContact CZ-CG2 3.86Å; F154-V390 HydrophobicContact CD1-CB 4.2Å; F154-V390 HydrophobicContact CD1-CG1 3.66Å; F154-V390 HydrophobicContact CD2-CG1 4.25Å; F154-V390 HydrophobicContact CE1-CB 3.7Å; F154-V390 HydrophobicContact CE1-CG1 3.67Å; F154-V390 HydrophobicContact CE2-CG1 4.23Å; F154-V390 HydrophobicContact CG-CG1 3.97Å; F154-V390 HydrophobicContact CZ-CB 3.9Å; F154-V390 HydrophobicContact CZ-CG1 3.95Å; F154-V390 HydrophobicContact CZ-CG2 4.32Å; F154-I394 HydrophobicContact CB-CD1 4.32Å
155	D	98.2	Very high	97.3	Very high	55 Å²	55	51 Å²	51	29%	0.294	26%	0.261	S	S	.	.			trans	-71.4	109.7	171.3	-171.9	-23	0	0	0	110.7	K157 Y158 V159 I394 K398	D155-K157 PolarHBondContact O-N 3.01Å; D155-K157 WeakPolarHBondContact OD1-CB 3.46Å; D155-K157 PolarHBondContact OD1-N 2.89Å; D155-Y158 HydrophobicContact CB-CD2 4.01Å; D155-Y158 PolarHBondContact O-N 3.33Å; D155-V159 PolarHBondContact O-N 3.06Å; D155-I394 HydrophobicContact CB-CD1 4.34Å; D155-I394 HydrophobicContact CB-CG2 4.21Å; D155-K398 WeakPolarHBondContact OD2-CE 3.47Å; D155-K398 IonicContact OD2-NZ 2.62Å; D155-K398 PolarHBondContact OD2-NZ 3.27Å
156	E	97.7	Very high	97.3	Very high	113 Å²	113	48 Å²	48	53%	0.528	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-8.1	-176.3	-57.1	-164.4	150.1	0	0	113.8	F154 Y158 G276 G277	F154-E156 PolarHBondContact O-N 3.27Å; E156-Y158 PolarHBondContact O-N 3.02Å; E156-G276 VanDerWaalsContact OE1-CA 3.29Å; E156-G276 WeakPolarHBondContact OE1-CA 3.49Å; E156-G277 PolarHBondContact OE1-N 3.07Å
157	K	97.3	Very high	97.3	Very high	125 Å²	125	47.4 Å²	47.4	54%	0.543	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-32.3	164.9	-178.6	-173.9	166.3	-158.9	0	111	D155 E401	D155-K157 PolarHBondContact O-N 3.01Å; D155-K157 WeakPolarHBondContact OD1-CB 3.46Å; D155-K157 PolarHBondContact OD1-N 2.89Å; K157-E401 IonicContact NZ-OE1 2.67Å; K157-E401 PolarHBondContact NZ-OE1 3.48Å; K157-E401 IonicContact NZ-OE2 3.34Å; K157-E401 PolarHBondContact NZ-OE2 2.81Å
158	Y	97.9	Very high	97.3	Very high	5 Å²	5	43.5 Å²	43.5	2%	0.02	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-43.7	-175.3	-59.9	-85.2	0	0	0	112.2	D155 E156 I330 R331 I394 E397 K398 E401	D155-Y158 HydrophobicContact CB-CD2 4.01Å; D155-Y158 PolarHBondContact O-N 3.33Å; E156-Y158 PolarHBondContact O-N 3.02Å; Y158-I330 CarbonylContact O-C 3.53Å; Y158-I330 WeakPolarHBondContact O-CA 3.33Å; Y158-R331 PolarHBondContact O-N 3.33Å; Y158-I394 HydrophobicContact CD2-CG2 3.74Å; Y158-I394 HydrophobicContact CE2-CG2 4.06Å; Y158-I394 HydrophobicContact CG-CG1 4.36Å; Y158-I394 HydrophobicContact CG-CG2 4.25Å; Y158-E397 HydrophobicContact CD1-CB 4.49Å; Y158-E397 HydrophobicContact CD1-CG 3.88Å; Y158-E397 HydrophobicContact CE1-CB 4.2Å; Y158-E397 HydrophobicContact CE1-CG 3.48Å; Y158-E397 VanDerWaalsContact CE1-CG 3.48Å; Y158-K398 HydrophobicContact CE2-CD 4.35Å; Y158-K398 HydrophobicContact CE2-CG 4.01Å; Y158-K398 WeakPolarHBondContact OH-CG 3.35Å; Y158-E401 WeakPolarHBondContact CE1-OE1 3.44Å; Y158-E401 PolarHBondContact OH-OE1 2.89Å; Y158-E401 PolarHBondContact OH-OE2 2.83Å
159	V	97.9	Very high	97.4	Very high	1 Å²	1	39 Å²	39	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	119	-177.3	175.7	0	0	0	0	111.1	F154 D155 V328 H329 I330 V390 I394	F154-V159 HydrophobicContact CB-CB 4Å; F154-V159 HydrophobicContact CB-CG1 4.43Å; F154-V159 HydrophobicContact CB-CG2 3.67Å; F154-V159 HydrophobicContact CD2-CG1 4.19Å; F154-V159 HydrophobicContact CD2-CG2 4.19Å; F154-V159 HydrophobicContact CG-CG2 4.09Å; D155-V159 PolarHBondContact O-N 3.06Å; V159-V328 HydrophobicContact CG1-CB 3.97Å; V159-V328 HydrophobicContact CG1-CG1 3.96Å; V159-H329 WeakPolarHBondContact CA-O 3.43Å; V159-I330 HydrophobicContact CG2-CB 4.36Å; V159-I330 HydrophobicContact CG2-CD1 4.21Å; V159-I330 HydrophobicContact CG2-CG1 4.16Å; V159-V390 HydrophobicContact CG2-CG1 4.01Å; V159-I394 HydrophobicContact CG2-CD1 4.07Å
160	L	95.8	Very high	97.4	Very high	75 Å²	75	39 Å²	39	39%	0.393	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-33.7	-177.1	-54.6	-179.7	0	0	0	112.8	G276 H329 R331 T366	L160-G276 PolarHBondContact O-N 3.44Å; L160-H329 HydrophobicContact CB-CB 4.2Å; L160-H329 PolarHBondContact N-O 2.87Å; L160-R331 HydrophobicContact CD1-CG 4.15Å; L160-R331 HydrophobicContact CD2-CG 4.41Å; L160-R331 HydrophobicContact CG-CG 4.37Å; L160-T366 HydrophobicContact CD1-CG2 3.82Å
161	S	96	Very high	97.6	Very high	17 Å²	17	39.2 Å²	39.2	12%	0.119	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	152.5	179.7	55.6	0	0	0	0	111.5	E274 G276 V328 H329	S161-E274 WeakPolarHBondContact CA-O 3.46Å; S161-E274 WeakPolarHBondContact CB-O 3.34Å; S161-G276 CarbonylContact C-O 3.59Å; S161-G276 WeakPolarHBondContact CA-O 3.14Å; S161-V328 VanDerWaalsContact O-CA 3.26Å; S161-V328 WeakPolarHBondContact O-CA 3.41Å; S161-H329 PolarHBondContact O-N 2.78Å; S161-H329 PolarHBondContact OG-ND1 2.99Å
162	S	97.9	Very high	97.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.1	-179.8	-63.7	0	0	0	0	110	M273 E274 G276	S162-M273 VanDerWaalsContact O-CA 3.31Å; S162-M273 WeakPolarHBondContact O-CA 3.26Å; S162-E274 PolarHBondContact N-O 2.97Å; S162-E274 PolarHBondContact O-N 3.21Å; S162-G276 PolarHBondContact N-O 2.95Å; S162-G276 PolarHBondContact OG-O 2.8Å
163	R	97.9	Very high	98.1	Very high	59 Å²	59	36.9 Å²	36.9	22%	0.223	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	137.8	-177.3	175.5	167.6	-179.9	-112.4	8.8	112	R165 I271 S272 M273 A326 G327	R163-R165 VanDerWaalsContact NH1-CD 3.29Å; R163-I271 HydrophobicContact CG-CG2 4.13Å; R163-S272 CarbonylContact C-O 3.58Å; R163-S272 WeakPolarHBondContact CA-O 3.48Å; R163-M273 HydrophobicContact CB-CB 3.9Å; R163-M273 HydrophobicContact CG-CB 3.95Å; R163-A326 CarbonylContact O-C 3.51Å; R163-A326 WeakPolarHBondContact O-CA 3.39Å; R163-G327 PolarHBondContact N-O 3.07Å; R163-G327 PolarHBondContact O-N 3.49Å
164	V	98.5	Very high	98.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.3	169.2	-176.7	0	0	0	0	108.4	I271 S272 M279 V282 F283 F286 L324 A326	V164-I271 CarbonylContact O-C 3.51Å; V164-I271 WeakPolarHBondContact O-CA 3.5Å; V164-S272 PolarHBondContact N-O 2.88Å; V164-S272 PolarHBondContact O-N 2.95Å; V164-M279 HydrophobicContact CG2-SD 3.64Å; V164-V282 HydrophobicContact CB-CG1 4.2Å; V164-V282 HydrophobicContact CG2-CG1 3.78Å; V164-F283 HydrophobicContact CG1-CD2 4.25Å; V164-F283 HydrophobicContact CG2-CD2 4.37Å; V164-F286 HydrophobicContact CB-CB 4.44Å; V164-F286 HydrophobicContact CB-CD2 4.12Å; V164-F286 HydrophobicContact CB-CG 4.19Å; V164-F286 HydrophobicContact CG1-CB 4.44Å; V164-F286 HydrophobicContact CG1-CD1 3.88Å; V164-F286 HydrophobicContact CG1-CD2 3.76Å; V164-F286 HydrophobicContact CG1-CE1 3.98Å; V164-F286 HydrophobicContact CG1-CE2 3.86Å; V164-F286 HydrophobicContact CG1-CG 3.75Å; V164-F286 HydrophobicContact CG1-CZ 3.97Å; V164-L324 HydrophobicContact CG1-CD1 3.91Å; V164-L324 HydrophobicContact CG1-CG 4.11Å; V164-A326 HydrophobicContact CG1-CB 4.42Å; V164-A326 HydrophobicContact CG2-CB 3.9Å
165	R	97.8	Very high	98.1	Very high	42 Å²	42	31.4 Å²	31.4	16%	0.158	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	150.9	174.5	73.4	-177.1	-134.4	174.4	12.2	111.8	R163 V270 I271 L324 R325	R163-R165 VanDerWaalsContact NH1-CD 3.29Å; R165-V270 CarbonylContact C-O 3.51Å; R165-V270 VanDerWaalsContact CA-O 3.22Å; R165-V270 WeakPolarHBondContact CA-O 3.45Å; R165-I271 HydrophobicContact CB-CG1 3.89Å; R165-L324 CarbonylContact O-C 3.6Å; R165-L324 VanDerWaalsContact O-CA 3.3Å; R165-L324 WeakPolarHBondContact O-CA 3.36Å; R165-R325 HydrophobicContact CG-CB 3.81Å; R165-R325 PolarHBondContact N-O 2.65Å; R165-R325 PolarHBondContact O-N 2.77Å
166	T	98.6	Very high	98.1	Very high	1 Å²	1	29 Å²	29	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	179	165	-168.1	0	0	0	0	110.6	R168 R269 V270 F286 L290 T322 G323	T166-R168 PolarHBondContact OG1-NH1 3.3Å; T166-R269 CarbonylContact O-C 3.6Å; T166-R269 WeakPolarHBondContact O-CA 3.47Å; T166-V270 HydrophobicContact CG2-CB 4.24Å; T166-V270 PolarHBondContact N-O 3.34Å; T166-V270 PolarHBondContact O-N 2.94Å; T166-F286 HydrophobicContact CG2-CE2 3.81Å; T166-F286 HydrophobicContact CG2-CZ 3.45Å; T166-F286 VanDerWaalsContact CG2-CZ 3.45Å; T166-L290 HydrophobicContact CG2-CD1 4.22Å; T166-L290 HydrophobicContact CG2-CD2 4.06Å; T166-T322 PolarHBondContact OG1-O 3.23Å; T166-G323 WeakPolarHBondContact CA-O 3.27Å
167	G	98.4	Very high	98.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	157.1	164.6	0	0	0	0	0	111.7	T268 L314	G167-T268 CarbonylContact C-O 3.52Å; G167-T268 WeakPolarHBondContact CA-O 3.43Å; G167-L314 VanDerWaalsContact C-CD2 3.5Å
168	R	98.8	Very high	98.2	Very high	1 Å²	1	19.1 Å²	19.1	0%	0.004	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	140.5	166.5	-64.7	-69.4	-179.7	-97.5	11.8	110.1	T166 T268 L290 F304 Y312	T166-R168 PolarHBondContact OG1-NH1 3.3Å; R168-T268 WeakPolarHBondContact CB-OG1 3.27Å; R168-T268 PolarHBondContact N-O 2.88Å; R168-T268 PolarHBondContact N-OG1 3.44Å; R168-T268 PolarHBondContact O-N 2.71Å; R168-T268 VanDerWaalsContact O-N 3.08Å; R168-T268 PolarHBondContact O-OG1 2.98Å; R168-L290 HydrophobicContact CG-CD1 4.02Å; R168-L290 VanDerWaalsContact NH2-CD2 3.32Å; R168-F304 HydrophobicContact CB-CD1 3.71Å; R168-F304 HydrophobicContact CB-CD2 4.4Å; R168-F304 HydrophobicContact CB-CE1 3.51Å; R168-F304 HydrophobicContact CB-CE2 4.2Å; R168-F304 HydrophobicContact CB-CG 4.16Å; R168-F304 HydrophobicContact CB-CZ 3.77Å; R168-F304 HydrophobicContact CG-CD1 4.34Å; R168-F304 HydrophobicContact CG-CD2 4.15Å; R168-F304 HydrophobicContact CG-CE1 4.09Å; R168-F304 HydrophobicContact CG-CE2 3.86Å; R168-F304 HydrophobicContact CG-CG 4.37Å; R168-F304 HydrophobicContact CG-CZ 3.83Å; R168-Y312 VanDerWaalsContact CD-CD1 3.43Å; R168-Y312 VanDerWaalsContact CZ-CD2 3.45Å; R168-Y312 VanDerWaalsContact CZ-CE2 3.47Å; R168-Y312 VanDerWaalsContact NE-CE1 3.28Å; R168-Y312 VanDerWaalsContact NH2-CZ 3.34Å
169	S	98.9	Very high	98.3	Very high	1 Å²	1	19 Å²	19	1%	0.007	11%	0.107	C	C	.	.			trans	-112.2	130.1	174.2	-65.2	0	0	0	0	110.6	L175 F304 M305 I313	S169-L175 VanDerWaalsContact OG-CD2 3.23Å; S169-L175 WeakPolarHBondContact OG-CD2 3.44Å; S169-F304 CarbonylContact O-C 3.59Å; S169-F304 VanDerWaalsContact O-CA 3.26Å; S169-F304 WeakPolarHBondContact O-CA 3.24Å; S169-M305 VanDerWaalsContact CB-SD 3.54Å; S169-M305 PolarHBondContact O-N 3.35Å; S169-I313 WeakPolarHBondContact CB-O 3.43Å; S169-I313 PolarHBondContact OG-O 3.13Å
170	I	98.9	Very high	98.3	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-74.5	122.4	174.1	-58.4	172.2	0	0	0	109.8	L173 V187 V190 H267 W302 M305	I170-L173 HydrophobicContact CB-CD1 4.36Å; I170-L173 HydrophobicContact CG2-CD1 4.01Å; I170-V187 HydrophobicContact CD1-CB 4.48Å; I170-V187 HydrophobicContact CD1-CG1 4.11Å; I170-V190 HydrophobicContact CD1-CB 4.03Å; I170-V190 HydrophobicContact CD1-CG1 3.83Å; I170-H267 PolarHBondContact N-ND1 2.8Å; I170-H267 VanDerWaalsContact N-ND1 3.14Å; I170-W302 HydrophobicContact CG2-CB 4.35Å; I170-W302 HydrophobicContact CG2-CD2 4.05Å; I170-W302 HydrophobicContact CG2-CE3 3.41Å; I170-W302 VanDerWaalsContact CG2-CE3 3.41Å; I170-W302 HydrophobicContact CG2-CG 4.46Å; I170-W302 HydrophobicContact CG2-CZ3 4.05Å; I170-M305 WeakPolarHBondContact O-CE 3.36Å
171	R	98.8	Very high	98.4	Very high	81 Å²	81	24 Å²	24	31%	0.306	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	144.1	179.6	174.5	170	-74.5	160.4	-0.7	111.8	E112 L173 E303 M305 W306	E112-R171 IonicContact OE1-CZ 2.65Å; E112-R171 IonicContact OE1-NE 3.03Å; E112-R171 PolarHBondContact OE1-NE 2.95Å; E112-R171 IonicContact OE1-NH2 3.34Å; E112-R171 PolarHBondContact OE1-NH2 2.96Å; E112-R171 WeakPolarHBondContact OE2-CG 3.44Å; E112-R171 IonicContact OE2-CZ 3.66Å; E112-R171 IonicContact OE2-NE 3.85Å; E112-R171 PolarHBondContact OE2-NE 3.01Å; E112-R171 IonicContact OE2-NH2 2.77Å; R171-L173 VanDerWaalsContact C-N 3.32Å; R171-E303 HydrophobicContact CB-CB 4.26Å; R171-E303 WeakPolarHBondContact CB-O 3.35Å; R171-E303 IonicContact CZ-OE2 3.4Å; R171-E303 PolarHBondContact N-O 2.84Å; R171-E303 IonicContact NH1-OE2 2.71Å; R171-E303 PolarHBondContact NH1-OE2 2.89Å; R171-M305 HydrophobicContact CB-CG 4.04Å; R171-W306 PolarHBondContact NH2-O 2.81Å
172	G	98.4	Very high	98.6	Very high	65 Å²	65	27.1 Å²	27.1	67%	0.67	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.1	0.1	179.9	0	0	0	0	0	115
173	L	98.8	Very high	98.6	Very high	15 Å²	15	29 Å²	29	8%	0.079	16%	0.158	C	C	.	.	S	Bend	trans	-118.8	134.3	173.8	-62.4	171.1	0	0	0	109	I170 R171 E183 E186 V187 H267 W302 M305	I170-L173 HydrophobicContact CB-CD1 4.36Å; I170-L173 HydrophobicContact CG2-CD1 4.01Å; R171-L173 VanDerWaalsContact C-N 3.32Å; L173-E183 HydrophobicContact CD2-CB 4.22Å; L173-E183 HydrophobicContact CD2-CG 4.09Å; L173-E186 HydrophobicContact CD1-CB 4.27Å; L173-E186 HydrophobicContact CD1-CG 4.03Å; L173-E186 HydrophobicContact CD2-CB 4.27Å; L173-E186 HydrophobicContact CD2-CG 4.14Å; L173-V187 HydrophobicContact CB-CG2 4.1Å; L173-V187 HydrophobicContact CD1-CB 4.47Å; L173-V187 HydrophobicContact CD1-CG2 3.54Å; L173-V187 HydrophobicContact CG-CG2 4.43Å; L173-H267 PolarHBondContact O-CE1 2.89Å; L173-W302 HydrophobicContact CD1-CH2 4.17Å; L173-W302 HydrophobicContact CD1-CZ3 3.91Å; L173-W302 HydrophobicContact CD2-CH2 4.41Å; L173-W302 HydrophobicContact CD2-CZ3 4.45Å; L173-W302 HydrophobicContact CG-CH2 4.34Å; L173-W302 HydrophobicContact CG-CZ3 3.96Å; L173-M305 WeakPolarHBondContact O-CE 3.36Å
174	S	98.9	Very high	98.7	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.021	15%	0.147	C	C	.	.			trans	-62.2	147.7	179.1	-53.4	0	0	0	0	111.4	C179 E183 H267	S174-C179 WeakPolarHBondContact O-CB 3.5Å; S174-E183 WeakPolarHBondContact CB-OE1 3.15Å; S174-E183 PolarHBondContact N-OE1 3.01Å; S174-E183 PolarHBondContact OG-OE1 2.93Å; S174-H267 PolarHBondContact O-NE2 2.62Å
175	L	98.9	Very high	98.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.169	C	C	.	.			trans	-68.9	163.9	178	-61	173.4	0	0	0	111.5	A109 G110 S169 P177 C178 C179 M305	A109-L175 HydrophobicContact CB-CD1 3.85Å; G110-L175 WeakPolarHBondContact O-CA 3.44Å; G110-L175 WeakPolarHBondContact O-CB 3.27Å; G110-L175 PolarHBondContact O-N 2.86Å; S169-L175 VanDerWaalsContact OG-CD2 3.23Å; S169-L175 WeakPolarHBondContact OG-CD2 3.44Å; L175-P177 VanDerWaalsContact C-N 3.32Å; L175-P177 WeakPolarHBondContact O-CD 3.42Å; L175-P177 VanDerWaalsContact O-N 3.08Å; L175-C178 PolarHBondContact O-N 2.84Å; L175-C179 PolarHBondContact O-N 2.91Å; L175-M305 HydrophobicContact CD2-CE 4.12Å; L175-M305 HydrophobicContact CD2-SD 3.88Å; L175-M305 HydrophobicContact CG-CE 4.49Å; L175-M305 HydrophobicContact CG-SD 4.47Å
176	P	98.8	Very high	98.7	Very high	4 Å²	4	32.6 Å²	32.6	3%	0.026	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-38.6	-175.4	-30.4	36.7	0	0	0	116.7	C178 C179 M240 R242 T315	P176-C178 VanDerWaalsContact C-N 3.3Å; P176-C178 PolarHBondContact O-N 2.99Å; P176-C179 PolarHBondContact O-SG 2.8Å; P176-M240 HydrophobicContact CB-CE 4.45Å; P176-M240 HydrophobicContact CB-CG 4.34Å; P176-R242 PolarHBondContact O-NH2 3.43Å; P176-T315 WeakPolarHBondContact CD-OG1 3.45Å
177	P	98.6	Very high	98.8	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.013	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-37.6	176.9	-27.8	38.4	0	0	0	113.6	W84 V108 L175 A238 M240 R242 T315	W84-P177 HydrophobicContact CH2-CB 3.64Å; W84-P177 HydrophobicContact CZ2-CB 3.77Å; V108-P177 HydrophobicContact CB-CG 4.15Å; V108-P177 HydrophobicContact CG2-CB 4.16Å; V108-P177 HydrophobicContact CG2-CG 3.86Å; L175-P177 VanDerWaalsContact C-N 3.32Å; L175-P177 WeakPolarHBondContact O-CD 3.42Å; L175-P177 VanDerWaalsContact O-N 3.08Å; P177-A238 WeakPolarHBondContact CA-O 3.3Å; P177-A238 VanDerWaalsContact CB-O 3.26Å; P177-A238 WeakPolarHBondContact CB-O 3.38Å; P177-M240 HydrophobicContact CG-CG 3.93Å; P177-M240 HydrophobicContact CG-SD 4.32Å; P177-R242 VanDerWaalsContact C-NH2 3.34Å; P177-R242 PolarHBondContact O-NH2 2.83Å; P177-T315 HydrophobicContact CG-CG2 3.37Å
178	C	98.3	Very high	98.8	Very high	30 Å²	30	34.3 Å²	34.3	20%	0.203	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-26.8	-171.4	-171	0	0	0	0	113.6	W84 G110 L175 P176 S180	W84-C178 HydrophobicContact CD2-CB 4.06Å; W84-C178 HydrophobicContact CE3-CB 3.54Å; W84-C178 VanDerWaalsContact CE3-SG 3.5Å; W84-C178 HydrophobicContact CH2-CB 4.42Å; W84-C178 HydrophobicContact CZ3-CB 3.75Å; G110-C178 VanDerWaalsContact O-CB 3.24Å; G110-C178 WeakPolarHBondContact O-CB 3.37Å; L175-C178 PolarHBondContact O-N 2.84Å; P176-C178 VanDerWaalsContact C-N 3.3Å; P176-C178 PolarHBondContact O-N 2.99Å; C178-S180 PolarHBondContact O-N 2.89Å
179	C	98.7	Very high	98.8	Very high	2 Å²	2	39 Å²	39	1%	0.014	20%	0.199	C	C	.	.			trans	-53.5	138.1	-171.5	67.5	0	0	0	0	114.3	S174 L175 P176 E183 R184 R242	S174-C179 WeakPolarHBondContact O-CB 3.5Å; L175-C179 PolarHBondContact O-N 2.91Å; P176-C179 PolarHBondContact O-SG 2.8Å; C179-E183 HydrophobicContact CB-CB 4.19Å; C179-R184 PolarHBondContact SG-NH2 2.83Å; C179-R242 PolarHBondContact O-NH1 2.92Å; C179-R242 PolarHBondContact O-NH2 3.42Å
180	S	98.8	Very high	98.7	Very high	43 Å²	43	39 Å²	39	30%	0.301	20%	0.199	S	C	.	.			trans	-71.5	166.3	164.9	62.8	0	0	0	0	111.4	C178 S182 E183 R184	C178-S180 PolarHBondContact O-N 2.89Å; S180-S182 PolarHBondContact O-N 3.28Å; S180-S182 PolarHBondContact OG-OG 3Å; S180-E183 WeakPolarHBondContact CB-OE2 3.32Å; S180-E183 PolarHBondContact N-OE2 3.11Å; S180-E183 PolarHBondContact O-N 2.75Å; S180-E183 WeakPolarHBondContact OG-CG 3.11Å; S180-E183 PolarHBondContact OG-N 3.31Å; S180-E183 PolarHBondContact OG-OE2 2.56Å; S180-R184 WeakPolarHBondContact O-CB 3.4Å; S180-R184 PolarHBondContact O-N 3.31Å
181	R	98.8	Very high	98.7	Very high	138 Å²	138	39 Å²	39	52%	0.521	20%	0.199	S	C	.	.	H	α-helix	trans	-58.1	-38.5	172.1	-74.4	-178.1	-71.9	-89.3	0.4	111.9	R185 D243	R181-R185 WeakPolarHBondContact O-CB 3.44Å; R181-R185 WeakPolarHBondContact O-CD 3.41Å; R181-R185 WeakPolarHBondContact O-CG 3.36Å; R181-R185 PolarHBondContact O-N 3.03Å; R181-D243 WeakPolarHBondContact CD-OD1 3.45Å; R181-D243 HydrophobicContact CG-CB 4.1Å; R181-D243 IonicContact CZ-OD1 3.24Å; R181-D243 IonicContact NH1-OD1 3.24Å; R181-D243 PolarHBondContact NH1-OD1 2.85Å
182	S	98.8	Very high	98.7	Very high	82 Å²	82	37 Å²	37	57%	0.573	20%	0.196	S	C	*	.	H	α-helix	trans	-66.7	-45.2	178.7	38.4	0	0	0	0	112.7	S180 R184 R185 E186	S180-S182 PolarHBondContact O-N 3.28Å; S180-S182 PolarHBondContact OG-OG 3Å; S182-R184 VanDerWaalsContact C-N 3.33Å; S182-R184 PolarHBondContact O-N 2.96Å; S182-R185 PolarHBondContact O-N 2.85Å; S182-E186 WeakPolarHBondContact O-CB 3.22Å; S182-E186 PolarHBondContact O-N 2.86Å
183	E	98.8	Very high	98.7	Very high	40 Å²	40	37.2 Å²	37.2	19%	0.187	18%	0.179	C	C	.	.	H	α-helix	trans	-63.5	-41.4	176.4	-72.7	166.6	103.8	0	0	111.3	L173 S174 C179 S180 R185 E186 V187	L173-E183 HydrophobicContact CD2-CB 4.22Å; L173-E183 HydrophobicContact CD2-CG 4.09Å; S174-E183 WeakPolarHBondContact CB-OE1 3.15Å; S174-E183 PolarHBondContact N-OE1 3.01Å; S174-E183 PolarHBondContact OG-OE1 2.93Å; C179-E183 HydrophobicContact CB-CB 4.19Å; S180-E183 WeakPolarHBondContact CB-OE2 3.32Å; S180-E183 PolarHBondContact N-OE2 3.11Å; S180-E183 PolarHBondContact O-N 2.75Å; S180-E183 WeakPolarHBondContact OG-CG 3.11Å; S180-E183 PolarHBondContact OG-N 3.31Å; S180-E183 PolarHBondContact OG-OE2 2.56Å; E183-R185 PolarHBondContact O-N 2.97Å; E183-E186 WeakPolarHBondContact O-CB 3.29Å; E183-E186 PolarHBondContact O-N 2.7Å; E183-E186 VanDerWaalsContact O-N 3.11Å; E183-V187 WeakPolarHBondContact O-CG2 3.22Å; E183-V187 PolarHBondContact O-N 3.14Å
184	R	98.9	Very high	98.7	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.008	18%	0.176	C	C	.	.	H	α-helix	trans	-61.7	-44.8	177.4	-167.2	-177.1	-62.8	124.7	2.6	112.4	C179 S180 S182 E186 V187 E188 D243 D246 A247 R248 N263	C179-R184 PolarHBondContact SG-NH2 2.83Å; S180-R184 WeakPolarHBondContact O-CB 3.4Å; S180-R184 PolarHBondContact O-N 3.31Å; S182-R184 VanDerWaalsContact C-N 3.33Å; S182-R184 PolarHBondContact O-N 2.96Å; R184-E186 VanDerWaalsContact C-N 3.26Å; R184-E186 PolarHBondContact O-N 3.33Å; R184-V187 WeakPolarHBondContact O-CB 3.33Å; R184-V187 PolarHBondContact O-N 2.93Å; R184-E188 PolarHBondContact O-N 3.35Å; R184-D243 IonicContact CZ-OD2 3.81Å; R184-D243 IonicContact NH1-OD2 2.66Å; R184-D243 PolarHBondContact NH1-OD2 2.79Å; R184-D243 IonicContact NH2-OD2 2.74Å; R184-D246 WeakPolarHBondContact CD-O 3.28Å; R184-A247 HydrophobicContact CB-CB 4.46Å; R184-A247 HydrophobicContact CG-CB 3.94Å; R184-R248 VanDerWaalsContact CD-NH1 3.35Å; R184-R248 VanDerWaalsContact NE-CZ 3.33Å; R184-N263 HydrophobicContact CG-CB 3.88Å; R184-N263 VanDerWaalsContact CG-CG 3.47Å; R184-N263 WeakPolarHBondContact CG-ND2 3.43Å; R184-N263 PolarHBondContact O-ND2 2.97Å
185	R	98.9	Very high	98.7	Very high	123 Å²	123	36.5 Å²	36.5	46%	0.464	18%	0.175	S	C	.	.	H	α-helix	trans	-62.8	-33.8	173.5	-71.7	164.8	-176	-171.6	-6.7	111.9	R181 S182 E183 E188 R189 D246 A247	R181-R185 WeakPolarHBondContact O-CB 3.44Å; R181-R185 WeakPolarHBondContact O-CD 3.41Å; R181-R185 WeakPolarHBondContact O-CG 3.36Å; R181-R185 PolarHBondContact O-N 3.03Å; S182-R185 PolarHBondContact O-N 2.85Å; E183-R185 PolarHBondContact O-N 2.97Å; R185-E188 PolarHBondContact O-N 3.47Å; R185-R189 WeakPolarHBondContact O-CB 3.26Å; R185-R189 PolarHBondContact O-N 3.24Å; R185-D246 IonicContact CZ-OD1 3.32Å; R185-D246 IonicContact CZ-OD2 2.86Å; R185-D246 IonicContact NE-OD1 2.7Å; R185-D246 PolarHBondContact NE-OD1 3.39Å; R185-D246 VanDerWaalsContact NE-OD1 3.08Å; R185-D246 IonicContact NE-OD2 2.7Å; R185-D246 PolarHBondContact NE-OD2 3.36Å; R185-D246 IonicContact NH2-OD1 2.64Å; R185-D246 IonicContact NH2-OD2 2.76Å; R185-D246 PolarHBondContact NH2-OD2 2.89Å; R185-A247 HydrophobicContact CB-CB 4.35Å; R185-A247 HydrophobicContact CG-CB 3.71Å
186	E	98.9	Very high	98.6	Very high	52 Å²	52	39.9 Å²	39.9	24%	0.243	20%	0.203	C	C	.	.	H	α-helix	trans	-69.7	-41.7	175.4	-172.6	63.1	-177.1	0	0	112	L173 S182 E183 R184 E188 R189 V190 W302	L173-E186 HydrophobicContact CD1-CB 4.27Å; L173-E186 HydrophobicContact CD1-CG 4.03Å; L173-E186 HydrophobicContact CD2-CB 4.27Å; L173-E186 HydrophobicContact CD2-CG 4.14Å; S182-E186 WeakPolarHBondContact O-CB 3.22Å; S182-E186 PolarHBondContact O-N 2.86Å; E183-E186 WeakPolarHBondContact O-CB 3.29Å; E183-E186 PolarHBondContact O-N 2.7Å; E183-E186 VanDerWaalsContact O-N 3.11Å; R184-E186 VanDerWaalsContact C-N 3.26Å; R184-E186 PolarHBondContact O-N 3.33Å; E186-E188 VanDerWaalsContact C-N 3.3Å; E186-E188 PolarHBondContact O-N 3.36Å; E186-R189 PolarHBondContact O-N 3.4Å; E186-R189 IonicContact OE1-CZ 3.1Å; E186-R189 IonicContact OE1-NE 3.39Å; E186-R189 PolarHBondContact OE1-NE 2.96Å; E186-R189 IonicContact OE1-NH2 2.82Å; E186-R189 PolarHBondContact OE1-NH2 2.88Å; E186-R189 IonicContact OE2-CZ 3.92Å; E186-R189 IonicContact OE2-NE 3.63Å; E186-R189 PolarHBondContact OE2-NE 3.12Å; E186-R189 IonicContact OE2-NH2 2.7Å; E186-V190 HydrophobicContact CG-CG2 4.34Å; E186-V190 WeakPolarHBondContact O-CB 3.28Å; E186-V190 VanDerWaalsContact O-CG2 3.28Å; E186-V190 WeakPolarHBondContact O-CG2 3.4Å; E186-V190 PolarHBondContact O-N 2.87Å; E186-W302 HydrophobicContact CG-CH2 4.07Å; E186-W302 HydrophobicContact CG-CZ2 4.2Å; E186-W302 WeakPolarHBondContact OE1-CZ2 3.43Å
187	V	98.9	Very high	98.6	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-55.8	-47.2	170.7	170.4	0	0	0	0	110.8	I170 L173 E183 R184 T191 N263 H267	I170-V187 HydrophobicContact CD1-CB 4.48Å; I170-V187 HydrophobicContact CD1-CG1 4.11Å; L173-V187 HydrophobicContact CB-CG2 4.1Å; L173-V187 HydrophobicContact CD1-CB 4.47Å; L173-V187 HydrophobicContact CD1-CG2 3.54Å; L173-V187 HydrophobicContact CG-CG2 4.43Å; E183-V187 WeakPolarHBondContact O-CG2 3.22Å; E183-V187 PolarHBondContact O-N 3.14Å; R184-V187 WeakPolarHBondContact O-CB 3.33Å; R184-V187 PolarHBondContact O-N 2.93Å; V187-T191 VanDerWaalsContact O-CB 3.22Å; V187-T191 WeakPolarHBondContact O-CB 3.33Å; V187-T191 PolarHBondContact O-N 2.79Å; V187-T191 PolarHBondContact O-OG1 3.48Å; V187-N263 WeakPolarHBondContact CG1-OD1 3.43Å; V187-H267 HydrophobicContact CG1-CB 3.61Å; V187-H267 HydrophobicContact CG2-CB 4.48Å
188	E	98.8	Very high	98.6	Very high	36 Å²	36	41 Å²	41	17%	0.168	21%	0.214	C	C	.	.	H	α-helix	trans	-59.8	-51.5	176.6	177	-176.6	-138.1	0	0	111	R184 R185 E186 V190 T191 V192 Y206 A247 V262	R184-E188 PolarHBondContact O-N 3.35Å; R185-E188 PolarHBondContact O-N 3.47Å; E186-E188 VanDerWaalsContact C-N 3.3Å; E186-E188 PolarHBondContact O-N 3.36Å; E188-V190 PolarHBondContact O-N 3.49Å; E188-T191 PolarHBondContact O-N 2.89Å; E188-V192 HydrophobicContact CG-CG2 4.07Å; E188-V192 WeakPolarHBondContact O-CB 3.23Å; E188-V192 VanDerWaalsContact O-CG2 3.23Å; E188-V192 WeakPolarHBondContact O-CG2 3.35Å; E188-V192 PolarHBondContact O-N 3.12Å; E188-Y206 HydrophobicContact CG-CE1 4.35Å; E188-Y206 WeakPolarHBondContact OE1-CE1 3.44Å; E188-Y206 PolarHBondContact OE1-OH 2.76Å; E188-A247 HydrophobicContact CB-CB 4.15Å; E188-A247 WeakPolarHBondContact OE2-CA 2.99Å; E188-A247 WeakPolarHBondContact OE2-CB 3.48Å; E188-V262 HydrophobicContact CB-CG1 4.24Å
189	R	98.7	Very high	98.6	Very high	99 Å²	99	46.8 Å²	46.8	37%	0.374	24%	0.236	S	C	.	.	H	α-helix	trans	-57.3	-50.5	-178.7	-170.5	-166.7	71	74.5	-3.5	111.6	R185 E186 Q193	R185-R189 WeakPolarHBondContact O-CB 3.26Å; R185-R189 PolarHBondContact O-N 3.24Å; E186-R189 PolarHBondContact O-N 3.4Å; E186-R189 IonicContact OE1-CZ 3.1Å; E186-R189 IonicContact OE1-NE 3.39Å; E186-R189 PolarHBondContact OE1-NE 2.96Å; E186-R189 IonicContact OE1-NH2 2.82Å; E186-R189 PolarHBondContact OE1-NH2 2.88Å; E186-R189 IonicContact OE2-CZ 3.92Å; E186-R189 IonicContact OE2-NE 3.63Å; E186-R189 PolarHBondContact OE2-NE 3.12Å; E186-R189 IonicContact OE2-NH2 2.7Å; R189-Q193 WeakPolarHBondContact O-CB 3.39Å; R189-Q193 WeakPolarHBondContact O-CG 3.34Å; R189-Q193 PolarHBondContact O-N 2.87Å
190	V	98.6	Very high	98.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.8	-47.2	-179.9	172.5	0	0	0	0	110.4	I170 E186 E188 A194 W302	I170-V190 HydrophobicContact CD1-CB 4.03Å; I170-V190 HydrophobicContact CD1-CG1 3.83Å; E186-V190 HydrophobicContact CG-CG2 4.34Å; E186-V190 WeakPolarHBondContact O-CB 3.28Å; E186-V190 VanDerWaalsContact O-CG2 3.28Å; E186-V190 WeakPolarHBondContact O-CG2 3.4Å; E186-V190 PolarHBondContact O-N 2.87Å; E188-V190 PolarHBondContact O-N 3.49Å; V190-A194 PolarHBondContact O-N 3Å; V190-A194 VanDerWaalsContact O-N 3.07Å; V190-W302 HydrophobicContact CG1-CB 4.33Å; V190-W302 HydrophobicContact CG1-CD2 4.27Å; V190-W302 HydrophobicContact CG1-CG 3.85Å; V190-W302 HydrophobicContact CG2-CD2 4.07Å; V190-W302 VanDerWaalsContact CG2-CE2 3.49Å; V190-W302 HydrophobicContact CG2-CG 4.36Å; V190-W302 HydrophobicContact CG2-CZ2 3.78Å
191	T	98.6	Very high	98.5	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-62.3	-56.4	-179.5	-57	0	0	0	0	110.7	V187 E188 Q193 A194 L195 V262 T268	V187-T191 VanDerWaalsContact O-CB 3.22Å; V187-T191 WeakPolarHBondContact O-CB 3.33Å; V187-T191 PolarHBondContact O-N 2.79Å; V187-T191 PolarHBondContact O-OG1 3.48Å; E188-T191 PolarHBondContact O-N 2.89Å; T191-Q193 VanDerWaalsContact C-N 3.26Å; T191-Q193 PolarHBondContact O-N 2.71Å; T191-A194 WeakPolarHBondContact O-CB 3.4Å; T191-A194 PolarHBondContact O-N 2.79Å; T191-L195 HydrophobicContact CG2-CD1 3.88Å; T191-L195 HydrophobicContact CG2-CG 4.18Å; T191-L195 VanDerWaalsContact O-CG 3.29Å; T191-L195 WeakPolarHBondContact O-CG 3.49Å; T191-L195 PolarHBondContact O-N 3.04Å; T191-V262 HydrophobicContact CG2-CG2 3.92Å; T191-T268 HydrophobicContact CG2-CG2 3.74Å
192	V	98.4	Very high	98.5	Very high	38 Å²	38	44.6 Å²	44.6	23%	0.23	25%	0.246	C	C	.	.	H	α-helix	trans	-58.6	-39.6	-177.2	173.1	0	0	0	0	111.6	E188 L195 A196 Y206	E188-V192 HydrophobicContact CG-CG2 4.07Å; E188-V192 WeakPolarHBondContact O-CB 3.23Å; E188-V192 VanDerWaalsContact O-CG2 3.23Å; E188-V192 WeakPolarHBondContact O-CG2 3.35Å; E188-V192 PolarHBondContact O-N 3.12Å; V192-L195 PolarHBondContact O-N 3.24Å; V192-A196 PolarHBondContact O-N 3.29Å; V192-Y206 HydrophobicContact CG1-CD1 4.15Å; V192-Y206 HydrophobicContact CG1-CG 4.26Å; V192-Y206 HydrophobicContact CG2-CD1 3.57Å; V192-Y206 HydrophobicContact CG2-CD2 3.76Å; V192-Y206 HydrophobicContact CG2-CE1 3.65Å; V192-Y206 HydrophobicContact CG2-CE2 3.83Å; V192-Y206 HydrophobicContact CG2-CG 3.62Å
193	Q	98.1	Very high	98.5	Very high	71 Å²	71	41.9 Å²	41.9	33%	0.332	23%	0.228	S	C	.	.	H	α-helix	trans	-64.6	-39	176.1	-80.2	-173.4	2.9	0	0	113.4	R189 T191 R300	R189-Q193 WeakPolarHBondContact O-CB 3.39Å; R189-Q193 WeakPolarHBondContact O-CG 3.34Å; R189-Q193 PolarHBondContact O-N 2.87Å; T191-Q193 VanDerWaalsContact C-N 3.26Å; T191-Q193 PolarHBondContact O-N 2.71Å; Q193-R300 PolarHBondContact O-NH2 3Å
194	A	98.3	Very high	98.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.7	-44.8	172.2	0	0	0	0	0	110.7	V190 T191 A196 G197 L296 I297	V190-A194 PolarHBondContact O-N 3Å; V190-A194 VanDerWaalsContact O-N 3.07Å; T191-A194 WeakPolarHBondContact O-CB 3.4Å; T191-A194 PolarHBondContact O-N 2.79Å; A194-A196 VanDerWaalsContact C-N 3.3Å; A194-A196 PolarHBondContact O-N 2.91Å; A194-G197 WeakPolarHBondContact O-CA 3.4Å; A194-G197 PolarHBondContact O-N 3.18Å; A194-L296 HydrophobicContact CB-CB 3.95Å; A194-L296 VanDerWaalsContact O-CD1 3.31Å; A194-L296 WeakPolarHBondContact O-CD1 2.96Å; A194-I297 HydrophobicContact CB-CD1 4.45Å; A194-I297 HydrophobicContact CB-CG1 3.58Å
195	L	98.4	Very high	98.3	Very high	2 Å²	2	48 Å²	48	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-63.9	-31.8	-178.9	-60.3	-175	0	0	0	113.7	T191 V192 G197 L198 W251 I260 V293	T191-L195 HydrophobicContact CG2-CD1 3.88Å; T191-L195 HydrophobicContact CG2-CG 4.18Å; T191-L195 VanDerWaalsContact O-CG 3.29Å; T191-L195 WeakPolarHBondContact O-CG 3.49Å; T191-L195 PolarHBondContact O-N 3.04Å; V192-L195 PolarHBondContact O-N 3.24Å; L195-G197 PolarHBondContact O-N 2.89Å; L195-L198 HydrophobicContact CD2-CD1 3.8Å; L195-L198 WeakPolarHBondContact O-CB 3.45Å; L195-L198 PolarHBondContact O-N 3.41Å; L195-L198 VanDerWaalsContact O-N 3.1Å; L195-W251 HydrophobicContact CB-CD2 4.37Å; L195-W251 HydrophobicContact CB-CG 4.2Å; L195-W251 HydrophobicContact CD1-CB 3.52Å; L195-W251 HydrophobicContact CD1-CD2 3.88Å; L195-W251 HydrophobicContact CD1-CE3 4.38Å; L195-W251 HydrophobicContact CD1-CG 3.48Å; L195-W251 VanDerWaalsContact CD1-CG 3.48Å; L195-W251 HydrophobicContact CG-CG 4.38Å; L195-I260 HydrophobicContact CD1-CB 4.16Å; L195-I260 HydrophobicContact CD1-CD1 3.96Å; L195-I260 HydrophobicContact CD1-CG2 4.26Å; L195-I260 HydrophobicContact CD2-CD1 3.32Å; L195-I260 HydrophobicContact CG-CD1 4.27Å; L195-V293 HydrophobicContact CD2-CG1 4.31Å; L195-V293 HydrophobicContact CD2-CG2 3.7Å
196	A	98.1	Very high	98.3	Very high	72 Å²	72	44.1 Å²	44.1	60%	0.595	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.4	172.1	0	0	0	0	0	113.5	V192 A194	V192-A196 PolarHBondContact O-N 3.29Å; A194-A196 VanDerWaalsContact C-N 3.3Å; A194-A196 PolarHBondContact O-N 2.91Å
197	G	97.9	Very high	98.2	Very high	22 Å²	22	43.7 Å²	43.7	23%	0.227	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-15.8	174.9	0	0	0	0	0	114.2	A194 L195 K199	A194-G197 WeakPolarHBondContact O-CA 3.4Å; A194-G197 PolarHBondContact O-N 3.18Å; L195-G197 PolarHBondContact O-N 2.89Å; G197-K199 WeakPolarHBondContact O-CE 3.32Å; G197-K199 WeakPolarHBondContact O-CG 3.28Å
198	L	98.4	Very high	98	Very high	6 Å²	6	44.9 Å²	44.9	3%	0.031	25%	0.249	C	C	.	.			trans	-66.7	140.4	179.5	-63.4	175.7	0	0	0	111.5	L195 L202 W251 F258 Q292 V293 L296	L195-L198 HydrophobicContact CD2-CD1 3.8Å; L195-L198 WeakPolarHBondContact O-CB 3.45Å; L195-L198 PolarHBondContact O-N 3.41Å; L195-L198 VanDerWaalsContact O-N 3.1Å; L198-L202 HydrophobicContact CB-CB 4.23Å; L198-L202 VanDerWaalsContact CB-O 3.27Å; L198-L202 WeakPolarHBondContact CB-O 3.18Å; L198-L202 HydrophobicContact CD2-CB 4.5Å; L198-W251 HydrophobicContact CD1-CH2 3.6Å; L198-W251 HydrophobicContact CD1-CZ2 3.63Å; L198-W251 HydrophobicContact CD1-CZ3 4.33Å; L198-F258 HydrophobicContact CD1-CE1 4.5Å; L198-Q292 HydrophobicContact CD2-CB 4.03Å; L198-Q292 HydrophobicContact CD2-CG 3.5Å; L198-Q292 VanDerWaalsContact CD2-CG 3.5Å; L198-V293 HydrophobicContact CD1-CG2 4.11Å; L198-V293 HydrophobicContact CD2-CG2 4.21Å; L198-L296 HydrophobicContact CD2-CD1 3.86Å; L198-L296 HydrophobicContact CG-CD1 4.31Å
199	K	98.1	Very high	97.8	Very high	153 Å²	153	44.4 Å²	44.4	67%	0.665	25%	0.247	S	C	*	.			trans	-128.4	170.2	-174.7	-53.6	-60.5	172.2	-162.4	0	110.9	G197 L202 A203	G197-K199 WeakPolarHBondContact O-CE 3.32Å; G197-K199 WeakPolarHBondContact O-CG 3.28Å; K199-L202 PolarHBondContact O-N 2.91Å; K199-A203 PolarHBondContact O-N 2.75Å
200	G	98.1	Very high	97.5	Very high	62 Å²	62	42.1 Å²	42.1	64%	0.639	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	64	-136.9	176.1	0	0	0	0	0	112.6	L202 A203	G200-L202 PolarHBondContact O-N 3.13Å; G200-A203 WeakPolarHBondContact O-CB 3.41Å; G200-A203 PolarHBondContact O-N 2.82Å
201	D	98	Very high	97.1	Very high	67 Å²	67	48.6 Å²	48.6	36%	0.358	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-64.6	-17.2	177.2	65.5	-49.1	0	0	0	113.2	N253 R288	D201-N253 WeakPolarHBondContact O-CB 3.19Å; D201-N253 PolarHBondContact O-ND2 2.81Å; D201-R288 IonicContact OD2-CZ 3.77Å; D201-R288 IonicContact OD2-NE 3.98Å; D201-R288 IonicContact OD2-NH2 2.76Å; D201-R288 PolarHBondContact OD2-NH2 3.11Å
202	L	98.5	Very high	96.8	Very high	8 Å²	8	49.8 Å²	49.8	4%	0.042	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-93.7	-2.7	175.7	-60.5	175.9	0	0	0	113.1	L198 K199 G200 W251 F258 R285 R288	L198-L202 HydrophobicContact CB-CB 4.23Å; L198-L202 VanDerWaalsContact CB-O 3.27Å; L198-L202 WeakPolarHBondContact CB-O 3.18Å; L198-L202 HydrophobicContact CD2-CB 4.5Å; K199-L202 PolarHBondContact O-N 2.91Å; G200-L202 PolarHBondContact O-N 3.13Å; L202-W251 WeakPolarHBondContact O-CH2 3.47Å; L202-W251 WeakPolarHBondContact O-CZ2 3.24Å; L202-F258 HydrophobicContact CD2-CB 4.24Å; L202-F258 HydrophobicContact CD2-CD1 3.79Å; L202-F258 HydrophobicContact CD2-CE1 4.35Å; L202-F258 HydrophobicContact CD2-CG 4.03Å; L202-R285 HydrophobicContact CD2-CG 4.17Å; L202-R288 HydrophobicContact CD1-CG 4.23Å
203	A	98.6	Very high	96.4	Very high	25 Å²	25	51.4 Å²	51.4	21%	0.207	31%	0.305	C	S	.	.			trans	-67.3	141	174.6	0	0	0	0	0	110.7	K199 G200 N253 N254	K199-A203 PolarHBondContact O-N 2.75Å; G200-A203 WeakPolarHBondContact O-CB 3.41Å; G200-A203 PolarHBondContact O-N 2.82Å; A203-N253 CarbonylContact O-C 3.58Å; A203-N253 VanDerWaalsContact O-CA 3.25Å; A203-N253 WeakPolarHBondContact O-CA 3.11Å; A203-N253 WeakPolarHBondContact O-CB 3.31Å; A203-N254 PolarHBondContact O-N 2.95Å; A203-N254 PolarHBondContact O-ND2 2.92Å
204	G	97.8	Very high	95.8	Very high	29 Å²	29	56.2 Å²	56.2	30%	0.299	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	-172.9	-172	0	0	0	0	0	114.1	H252	G204-H252 CarbonylContact C-O 3.4Å; G204-H252 WeakPolarHBondContact CA-O 3.44Å
205	R	97.1	Very high	95.4	Very high	141 Å²	141	64.4 Å²	64.4	53%	0.532	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	141.8	-177.3	179.3	171	172.2	-169.5	-7	111	Y207 E216 W251 H252	R205-Y207 HydrophobicContact CB-CE2 3.87Å; R205-Y207 HydrophobicContact CG-CD2 4.36Å; R205-Y207 HydrophobicContact CG-CE1 4.39Å; R205-Y207 HydrophobicContact CG-CE2 3.81Å; R205-Y207 WeakPolarHBondContact O-CE2 3.5Å; R205-E216 IonicContact NH2-OE1 3.78Å; R205-W251 WeakPolarHBondContact O-CA 3.18Å; R205-H252 PolarHBondContact N-O 3.28Å; R205-H252 PolarHBondContact O-N 3.1Å
206	Y	97.6	Very high	95	Very high	42 Å²	42	66.5 Å²	66.5	17%	0.165	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	142.4	170.5	-179.7	-112.5	0	0	0	110.8	E188 V192 G249 I250 W251 V262	E188-Y206 HydrophobicContact CG-CE1 4.35Å; E188-Y206 WeakPolarHBondContact OE1-CE1 3.44Å; E188-Y206 PolarHBondContact OE1-OH 2.76Å; V192-Y206 HydrophobicContact CG1-CD1 4.15Å; V192-Y206 HydrophobicContact CG1-CG 4.26Å; V192-Y206 HydrophobicContact CG2-CD1 3.57Å; V192-Y206 HydrophobicContact CG2-CD2 3.76Å; V192-Y206 HydrophobicContact CG2-CE1 3.65Å; V192-Y206 HydrophobicContact CG2-CE2 3.83Å; V192-Y206 HydrophobicContact CG2-CG 3.62Å; Y206-G249 VanDerWaalsContact OH-CA 3.31Å; Y206-G249 WeakPolarHBondContact OH-CA 3.13Å; Y206-G249 PolarHBondContact OH-N 3.01Å; Y206-I250 CarbonylContact C-O 3.57Å; Y206-I250 WeakPolarHBondContact CD2-O 3.48Å; Y206-W251 HydrophobicContact CD2-CB 4.07Å; Y206-V262 HydrophobicContact CE2-CB 4.27Å; Y206-V262 HydrophobicContact CE2-CG2 3.91Å
207	Y	96.1	Very high	94.4	Very high	42 Å²	42	67 Å²	67	17%	0.165	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	109.4	176.7	-56.8	-99.8	0	0	0	108.3	R205 G249 I250 H252	R205-Y207 HydrophobicContact CB-CE2 3.87Å; R205-Y207 HydrophobicContact CG-CD2 4.36Å; R205-Y207 HydrophobicContact CG-CE1 4.39Å; R205-Y207 HydrophobicContact CG-CE2 3.81Å; R205-Y207 WeakPolarHBondContact O-CE2 3.5Å; Y207-G249 CarbonylContact O-C 3.46Å; Y207-G249 WeakPolarHBondContact O-CA 3.41Å; Y207-I250 PolarHBondContact N-O 3.38Å; Y207-I250 PolarHBondContact O-N 3.3Å; Y207-H252 AromaticContact CE2-CD2 3.84Å; Y207-H252 AromaticContact CE2-CE1 3.93Å; Y207-H252 AromaticContact CE2-NE2 3.32Å; Y207-H252 VanDerWaalsContact CE2-NE2 3.32Å; Y207-H252 WeakPolarHBondContact CE2-NE2 3.34Å; Y207-H252 AromaticContact CZ-NE2 3.86Å
208	S	96.5	Very high	93.7	Very high	26 Å²	26	70.7 Å²	70.7	18%	0.182	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	130.5	170.7	164	0	0	0	0	109	G210 D211 M212	S208-G210 PolarHBondContact O-N 3.05Å; S208-G210 PolarHBondContact OG-N 3.43Å; S208-D211 WeakPolarHBondContact CB-OD2 3.45Å; S208-D211 PolarHBondContact O-N 2.99Å; S208-D211 PolarHBondContact OG-OD2 3.46Å; S208-M212 WeakPolarHBondContact O-CB 3.1Å; S208-M212 PolarHBondContact O-N 2.63Å; S208-M212 VanDerWaalsContact O-N 3.14Å
209	L	94.3	Very high	93.1	Very high	26 Å²	26	74.5 Å²	74.5	14%	0.136	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-29.6	176.2	-67.8	-167.5	0	0	0	112.1	D211 M212 L226 F227 W244 P245 R248	L209-D211 VanDerWaalsContact C-N 3.29Å; L209-D211 PolarHBondContact O-N 2.74Å; L209-M212 HydrophobicContact CD2-CE 3.75Å; L209-M212 HydrophobicContact CD2-SD 4.4Å; L209-L226 HydrophobicContact CD2-CD1 3.6Å; L209-F227 HydrophobicContact CD1-CE2 3.78Å; L209-F227 HydrophobicContact CD1-CZ 4.05Å; L209-W244 HydrophobicContact CD1-CH2 3.67Å; L209-W244 HydrophobicContact CD1-CZ2 3.44Å; L209-W244 VanDerWaalsContact CD1-CZ2 3.44Å; L209-P245 HydrophobicContact CB-CB 3.83Å; L209-P245 HydrophobicContact CD1-CB 4.47Å; L209-R248 HydrophobicContact CB-CB 4.49Å; L209-R248 WeakPolarHBondContact CB-O 3.36Å; L209-R248 HydrophobicContact CD1-CB 3.76Å; L209-R248 HydrophobicContact CG-CB 4.13Å; L209-R248 WeakPolarHBondContact CG-O 3.45Å; L209-R248 PolarHBondContact N-O 3.2Å
210	G	91.2	Very high	92.6	Very high	51 Å²	51	67.5 Å²	67.5	53%	0.526	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-25.1	179.8	0	0	0	0	0	113.7	S208	S208-G210 PolarHBondContact O-N 3.05Å; S208-G210 PolarHBondContact OG-N 3.43Å
211	D	91.9	Very high	91.7	Very high	137 Å²	137	67.4 Å²	67.4	73%	0.733	35%	0.346	S	S	*	.	S	Bend	trans	-114.1	6	-175	-50.5	-59.8	0	0	0	112.7	S208 L209	S208-D211 WeakPolarHBondContact CB-OD2 3.45Å; S208-D211 PolarHBondContact O-N 2.99Å; S208-D211 PolarHBondContact OG-OD2 3.46Å; L209-D211 VanDerWaalsContact C-N 3.29Å; L209-D211 PolarHBondContact O-N 2.74Å
212	M	91.4	Very high	90.7	Very high	25 Å²	25	69.2 Å²	69.2	12%	0.123	36%	0.356	C	S	.	.			trans	-73.9	132.9	-177.4	-167.5	176.2	-73.7	0	0	110.5	S208 L209 E216 Q217 L220 L226 I250	S208-M212 WeakPolarHBondContact O-CB 3.1Å; S208-M212 PolarHBondContact O-N 2.63Å; S208-M212 VanDerWaalsContact O-N 3.14Å; L209-M212 HydrophobicContact CD2-CE 3.75Å; L209-M212 HydrophobicContact CD2-SD 4.4Å; M212-E216 HydrophobicContact CG-CB 3.7Å; M212-Q217 HydrophobicContact CG-CB 4.13Å; M212-Q217 WeakPolarHBondContact SD-CA 3.36Å; M212-Q217 HydrophobicContact SD-CB 3.74Å; M212-Q217 HydrophobicContact SD-CG 4.12Å; M212-L220 HydrophobicContact CE-CD1 3.49Å; M212-L220 VanDerWaalsContact CE-CD1 3.49Å; M212-L220 HydrophobicContact SD-CD1 3.83Å; M212-L226 HydrophobicContact CE-CD1 4.03Å; M212-L226 HydrophobicContact SD-CD1 4.25Å; M212-L226 HydrophobicContact SD-CD2 4.45Å; M212-I250 HydrophobicContact CE-CG2 3.95Å
213	T	90.8	Very high	89.9	Confident	73 Å²	73	71.7 Å²	71.7	45%	0.448	37%	0.367	S	S	.	.			trans	-72.1	152.4	172.8	62.6	0	0	0	0	111	K215 E216 Q217	T213-K215 PolarHBondContact O-N 2.98Å; T213-K215 VanDerWaalsContact O-N 3.12Å; T213-E216 PolarHBondContact N-OE2 3.3Å; T213-E216 PolarHBondContact O-N 2.99Å; T213-E216 WeakPolarHBondContact OG1-CB 3.45Å; T213-E216 VanDerWaalsContact OG1-CG 3.25Å; T213-E216 WeakPolarHBondContact OG1-CG 3.46Å; T213-E216 PolarHBondContact OG1-N 3.1Å; T213-E216 PolarHBondContact OG1-OE2 2.99Å; T213-Q217 WeakPolarHBondContact O-CB 3.43Å; T213-Q217 PolarHBondContact O-N 2.91Å
214	E	85.3	Confident	88.9	Confident	171 Å²	171	77.9 Å²	77.9	80%	0.799	39%	0.392	S	S	*	.	H	α-helix	trans	-54	-35.3	175.9	-67.2	-179.7	173.6	0	0	112.3	Q217 Q218	E214-Q217 PolarHBondContact O-N 3.39Å; E214-Q218 WeakPolarHBondContact O-CB 3.34Å; E214-Q218 PolarHBondContact O-N 3.25Å
215	K	89.6	Confident	88.3	Confident	173 Å²	173	77.5 Å²	77.5	75%	0.752	38%	0.382	S	S	*	.	H	α-helix	trans	-67.4	-46	177.1	-176.1	-178.8	176.3	-177	0	112.3	T213 Q217 Q219	T213-K215 PolarHBondContact O-N 2.98Å; T213-K215 VanDerWaalsContact O-N 3.12Å; K215-Q217 VanDerWaalsContact C-N 3.31Å; K215-Q219 WeakPolarHBondContact O-CB 3.33Å; K215-Q219 PolarHBondContact O-N 3.36Å
216	E	89.3	Confident	87.6	Confident	45 Å²	45	71.7 Å²	71.7	21%	0.21	36%	0.361	C	S	.	.	H	α-helix	trans	-64.2	-40.8	176	-74.1	166.3	139.4	0	0	110.7	R205 M212 T213 Q219 L220	R205-E216 IonicContact NH2-OE1 3.78Å; M212-E216 HydrophobicContact CG-CB 3.7Å; T213-E216 PolarHBondContact N-OE2 3.3Å; T213-E216 PolarHBondContact O-N 2.99Å; T213-E216 WeakPolarHBondContact OG1-CB 3.45Å; T213-E216 VanDerWaalsContact OG1-CG 3.25Å; T213-E216 WeakPolarHBondContact OG1-CG 3.46Å; T213-E216 PolarHBondContact OG1-N 3.1Å; T213-E216 PolarHBondContact OG1-OE2 2.99Å; E216-Q219 PolarHBondContact O-N 3.42Å; E216-L220 WeakPolarHBondContact O-CG 3.27Å; E216-L220 PolarHBondContact O-N 3.06Å
217	Q	85.6	Confident	87	Confident	84 Å²	84	70.1 Å²	70.1	39%	0.393	36%	0.355	S	S	.	.	H	α-helix	trans	-60.6	-52.8	176.7	-168.9	-179.5	8.8	0	0	111.3	M212 T213 E214 K215 Q219 L220 I221 L226	M212-Q217 HydrophobicContact CG-CB 4.13Å; M212-Q217 WeakPolarHBondContact SD-CA 3.36Å; M212-Q217 HydrophobicContact SD-CB 3.74Å; M212-Q217 HydrophobicContact SD-CG 4.12Å; T213-Q217 WeakPolarHBondContact O-CB 3.43Å; T213-Q217 PolarHBondContact O-N 2.91Å; E214-Q217 PolarHBondContact O-N 3.39Å; K215-Q217 VanDerWaalsContact C-N 3.31Å; Q217-Q219 VanDerWaalsContact C-N 3.3Å; Q217-Q219 PolarHBondContact O-N 3.14Å; Q217-L220 PolarHBondContact O-N 3.4Å; Q217-L220 VanDerWaalsContact O-N 3.17Å; Q217-I221 HydrophobicContact CG-CD1 4.04Å; Q217-I221 WeakPolarHBondContact O-CG1 3.47Å; Q217-I221 PolarHBondContact O-N 3.26Å; Q217-L226 HydrophobicContact CG-CD2 3.49Å; Q217-L226 VanDerWaalsContact CG-CD2 3.49Å
218	Q	82.6	Confident	86.1	Confident	98 Å²	98	73.1 Å²	73.1	46%	0.458	37%	0.374	S	S	.	.	H	α-helix	trans	-60.6	-41.2	179	-170.4	61.8	54.9	0	0	111.4	E214 L220 I221 D222	E214-Q218 WeakPolarHBondContact O-CB 3.34Å; E214-Q218 PolarHBondContact O-N 3.25Å; Q218-L220 VanDerWaalsContact C-N 3.35Å; Q218-L220 PolarHBondContact O-N 2.93Å; Q218-I221 PolarHBondContact O-N 3.4Å; Q218-D222 PolarHBondContact NE2-OD1 2.9Å; Q218-D222 WeakPolarHBondContact O-CB 3.23Å; Q218-D222 PolarHBondContact O-N 2.89Å
219	Q	87.1	Confident	85.5	Confident	87 Å²	87	77.5 Å²	77.5	41%	0.407	39%	0.39	S	S	.	.	H	α-helix	trans	-58.3	-46.3	175.7	178.2	175	4.1	0	0	111.9	K215 E216 Q217 I221 D222 E223	K215-Q219 WeakPolarHBondContact O-CB 3.33Å; K215-Q219 PolarHBondContact O-N 3.36Å; E216-Q219 PolarHBondContact O-N 3.42Å; Q217-Q219 VanDerWaalsContact C-N 3.3Å; Q217-Q219 PolarHBondContact O-N 3.14Å; Q219-I221 VanDerWaalsContact C-N 3.32Å; Q219-I221 PolarHBondContact O-N 3.08Å; Q219-D222 PolarHBondContact O-N 2.9Å; Q219-E223 HydrophobicContact CG-CG 4.48Å; Q219-E223 WeakPolarHBondContact CG-OE1 3.27Å; Q219-E223 PolarHBondContact NE2-OE1 3.4Å; Q219-E223 WeakPolarHBondContact O-CB 3.32Å; Q219-E223 WeakPolarHBondContact O-CG 3.26Å; Q219-E223 PolarHBondContact O-N 3.03Å
220	L	86.4	Confident	85.1	Confident	6 Å²	6	76.8 Å²	76.8	3%	0.031	39%	0.387	C	S	.	.	H	α-helix	trans	-70.6	-28.8	-179.4	-68.4	167.4	0	0	0	112.5	M212 E216 Q217 Q218 H224 F225 L226 I250	M212-L220 HydrophobicContact CE-CD1 3.49Å; M212-L220 VanDerWaalsContact CE-CD1 3.49Å; M212-L220 HydrophobicContact SD-CD1 3.83Å; E216-L220 WeakPolarHBondContact O-CG 3.27Å; E216-L220 PolarHBondContact O-N 3.06Å; Q217-L220 PolarHBondContact O-N 3.4Å; Q217-L220 VanDerWaalsContact O-N 3.17Å; Q218-L220 VanDerWaalsContact C-N 3.35Å; Q218-L220 PolarHBondContact O-N 2.93Å; L220-H224 PolarHBondContact O-N 2.85Å; L220-F225 HydrophobicContact CD2-CB 4.09Å; L220-F225 HydrophobicContact CD2-CD2 4.26Å; L220-F225 PolarHBondContact O-N 3.03Å; L220-L226 HydrophobicContact CB-CB 3.81Å; L220-L226 HydrophobicContact CB-CD1 4.22Å; L220-L226 HydrophobicContact CB-CG 4.43Å; L220-L226 HydrophobicContact CD1-CD1 4.15Å; L220-L226 PolarHBondContact O-N 3.28Å; L220-I250 HydrophobicContact CD1-CG2 3.86Å
221	I	79.9	Confident	84.9	Confident	59 Å²	59	80.6 Å²	80.6	30%	0.303	40%	0.4	S	S	.	.	H	α-helix	trans	-67	-51.1	171.4	-70.1	167.6	0	0	0	110.3	Q217 Q218 Q219 E223 H224 L226	Q217-I221 HydrophobicContact CG-CD1 4.04Å; Q217-I221 WeakPolarHBondContact O-CG1 3.47Å; Q217-I221 PolarHBondContact O-N 3.26Å; Q218-I221 PolarHBondContact O-N 3.4Å; Q219-I221 VanDerWaalsContact C-N 3.32Å; Q219-I221 PolarHBondContact O-N 3.08Å; I221-E223 PolarHBondContact O-N 3.25Å; I221-H224 WeakPolarHBondContact O-CA 3.24Å; I221-H224 PolarHBondContact O-N 2.73Å; I221-L226 HydrophobicContact CD1-CD2 4.22Å; I221-L226 HydrophobicContact CG1-CB 4.08Å; I221-L226 HydrophobicContact CG1-CD2 3.78Å
222	D	76.9	Confident	84.9	Confident	105 Å²	105	75 Å²	75	56%	0.561	37%	0.371	S	S	*	.	H	α-helix	trans	-61.7	-32.9	-178.3	-67.5	-14.9	0	0	0	111.9	Q218 Q219 H224	Q218-D222 PolarHBondContact NE2-OD1 2.9Å; Q218-D222 WeakPolarHBondContact O-CB 3.23Å; Q218-D222 PolarHBondContact O-N 2.89Å; Q219-D222 PolarHBondContact O-N 2.9Å; D222-H224 VanDerWaalsContact C-N 3.28Å
223	E	81	Confident	84.9	Confident	60 Å²	60	77.2 Å²	77.2	28%	0.28	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-0.3	176.5	-65.7	172.6	175.2	0	0	113.5	Q219 I221 F225 K256	Q219-E223 HydrophobicContact CG-CG 4.48Å; Q219-E223 WeakPolarHBondContact CG-OE1 3.27Å; Q219-E223 PolarHBondContact NE2-OE1 3.4Å; Q219-E223 WeakPolarHBondContact O-CB 3.32Å; Q219-E223 WeakPolarHBondContact O-CG 3.26Å; Q219-E223 PolarHBondContact O-N 3.03Å; I221-E223 PolarHBondContact O-N 3.25Å; E223-F225 VanDerWaalsContact C-N 3.28Å; E223-F225 HydrophobicContact CB-CD2 3.44Å; E223-F225 VanDerWaalsContact CB-CD2 3.44Å; E223-F225 HydrophobicContact CB-CE2 3.49Å; E223-F225 VanDerWaalsContact CB-CE2 3.49Å; E223-F225 HydrophobicContact CB-CG 4.13Å; E223-F225 HydrophobicContact CB-CZ 4.26Å; E223-F225 HydrophobicContact CG-CD2 4.42Å; E223-F225 HydrophobicContact CG-CE2 4.23Å; E223-F225 WeakPolarHBondContact O-CD1 3.26Å; E223-F225 PolarHBondContact O-N 3.26Å; E223-F225 VanDerWaalsContact OE2-CD2 3.24Å; E223-F225 WeakPolarHBondContact OE2-CD2 3.5Å; E223-F225 VanDerWaalsContact OE2-CE2 3.24Å; E223-F225 WeakPolarHBondContact OE2-CE2 3.43Å; E223-K256 IonicContact OE1-NZ 2.61Å; E223-K256 PolarHBondContact OE1-NZ 3.35Å; E223-K256 WeakPolarHBondContact OE2-CD 3.35Å; E223-K256 IonicContact OE2-NZ 2.96Å; E223-K256 PolarHBondContact OE2-NZ 3.48Å
224	H	77.9	Confident	85.1	Confident	156 Å²	156	75.5 Å²	75.5	72%	0.722	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	32.7	-177.2	-52.6	-63.1	0	0	0	114.4	L220 I221 D222	L220-H224 PolarHBondContact O-N 2.85Å; I221-H224 WeakPolarHBondContact O-CA 3.24Å; I221-H224 PolarHBondContact O-N 2.73Å; D222-H224 VanDerWaalsContact C-N 3.28Å
225	F	84.9	Confident	85.5	Confident	21 Å²	21	68.7 Å²	68.7	9%	0.092	34%	0.344	C	S	.	.			trans	-100.4	-31.6	178.9	-62.5	-33.1	0	0	0	113.1	L220 E223 I250 K256 L259 W261 M273	L220-F225 HydrophobicContact CD2-CB 4.09Å; L220-F225 HydrophobicContact CD2-CD2 4.26Å; L220-F225 PolarHBondContact O-N 3.03Å; E223-F225 VanDerWaalsContact C-N 3.28Å; E223-F225 HydrophobicContact CB-CD2 3.44Å; E223-F225 VanDerWaalsContact CB-CD2 3.44Å; E223-F225 HydrophobicContact CB-CE2 3.49Å; E223-F225 VanDerWaalsContact CB-CE2 3.49Å; E223-F225 HydrophobicContact CB-CG 4.13Å; E223-F225 HydrophobicContact CB-CZ 4.26Å; E223-F225 HydrophobicContact CG-CD2 4.42Å; E223-F225 HydrophobicContact CG-CE2 4.23Å; E223-F225 WeakPolarHBondContact O-CD1 3.26Å; E223-F225 PolarHBondContact O-N 3.26Å; E223-F225 VanDerWaalsContact OE2-CD2 3.24Å; E223-F225 WeakPolarHBondContact OE2-CD2 3.5Å; E223-F225 VanDerWaalsContact OE2-CE2 3.24Å; E223-F225 WeakPolarHBondContact OE2-CE2 3.43Å; F225-I250 HydrophobicContact CB-CD1 3.92Å; F225-I250 WeakPolarHBondContact O-CD1 3.48Å; F225-K256 HydrophobicContact CD2-CD 4.14Å; F225-K256 HydrophobicContact CE2-CB 3.62Å; F225-K256 HydrophobicContact CE2-CD 3.47Å; F225-K256 VanDerWaalsContact CE2-CD 3.47Å; F225-K256 HydrophobicContact CE2-CG 4.13Å; F225-K256 HydrophobicContact CZ-CB 3.74Å; F225-K256 HydrophobicContact CZ-CD 4.36Å; F225-L259 HydrophobicContact CB-CD2 3.71Å; F225-L259 HydrophobicContact CD1-CD1 4.46Å; F225-L259 HydrophobicContact CD1-CD2 3.33Å; F225-L259 HydrophobicContact CD2-CD2 4.2Å; F225-L259 HydrophobicContact CE1-CD1 4.39Å; F225-L259 HydrophobicContact CE1-CD2 3.94Å; F225-L259 HydrophobicContact CG-CD2 3.48Å; F225-L259 VanDerWaalsContact CG-CD2 3.48Å; F225-W261 WeakPolarHBondContact O-CZ2 3.03Å; F225-W261 PolarHBondContact O-NE1 2.81Å; F225-M273 HydrophobicContact CD1-SD 4.33Å; F225-M273 HydrophobicContact CE1-CE 4.02Å; F225-M273 HydrophobicContact CE1-SD 4Å
226	L	83.8	Confident	85.9	Confident	19 Å²	19	63.3 Å²	63.3	10%	0.099	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-75.6	144.3	-179.3	-155.7	63.3	0	0	0	111.6	L209 M212 Q217 L220 I221 I250	L209-L226 HydrophobicContact CD2-CD1 3.6Å; M212-L226 HydrophobicContact CE-CD1 4.03Å; M212-L226 HydrophobicContact SD-CD1 4.25Å; M212-L226 HydrophobicContact SD-CD2 4.45Å; Q217-L226 HydrophobicContact CG-CD2 3.49Å; Q217-L226 VanDerWaalsContact CG-CD2 3.49Å; L220-L226 HydrophobicContact CB-CB 3.81Å; L220-L226 HydrophobicContact CB-CD1 4.22Å; L220-L226 HydrophobicContact CB-CG 4.43Å; L220-L226 HydrophobicContact CD1-CD1 4.15Å; L220-L226 PolarHBondContact O-N 3.28Å; I221-L226 HydrophobicContact CD1-CD2 4.22Å; I221-L226 HydrophobicContact CG1-CB 4.08Å; I221-L226 HydrophobicContact CG1-CD2 3.78Å; L226-I250 HydrophobicContact CD1-CG2 4.01Å
227	F	84.1	Confident	86.2	Confident	9 Å²	9	62.3 Å²	62.3	4%	0.039	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-102.8	140.9	165.3	56.8	-88	0	0	0	108.9	L209 W244 R248 G249 I250 W261 E264	L209-F227 HydrophobicContact CD1-CE2 3.78Å; L209-F227 HydrophobicContact CD1-CZ 4.05Å; F227-W244 AromaticContact CD2-CH2 3.6Å; F227-W244 HydrophobicContact CD2-CH2 3.6Å; F227-W244 HydrophobicContact CD2-CZ3 4.33Å; F227-W244 AromaticContact CE2-CH2 3.5Å; F227-W244 HydrophobicContact CE2-CH2 3.5Å; F227-W244 VanDerWaalsContact CE2-CH2 3.5Å; F227-W244 HydrophobicContact CE2-CZ3 4.03Å; F227-R248 HydrophobicContact CE2-CB 4.39Å; F227-R248 HydrophobicContact CE2-CG 4.48Å; F227-R248 HydrophobicContact CZ-CB 4.43Å; F227-G249 WeakPolarHBondContact CE1-O 3.43Å; F227-G249 WeakPolarHBondContact CZ-O 3.46Å; F227-I250 HydrophobicContact CE1-CB 4.42Å; F227-W261 HydrophobicContact CB-CD2 4.19Å; F227-W261 HydrophobicContact CB-CE3 4Å; F227-W261 HydrophobicContact CB-CH2 3.96Å; F227-W261 HydrophobicContact CB-CZ2 4.15Å; F227-W261 HydrophobicContact CB-CZ3 3.88Å; F227-W261 HydrophobicContact CD1-CB 3.76Å; F227-W261 AromaticContact CD1-CD1 3.56Å; F227-W261 AromaticContact CD1-CD2 3.41Å; F227-W261 HydrophobicContact CD1-CD2 3.41Å; F227-W261 VanDerWaalsContact CD1-CD2 3.41Å; F227-W261 AromaticContact CD1-CE2 3.71Å; F227-W261 AromaticContact CD1-CE3 3.93Å; F227-W261 HydrophobicContact CD1-CE3 3.93Å; F227-W261 AromaticContact CD1-CG 3.33Å; F227-W261 HydrophobicContact CD1-CG 3.33Å; F227-W261 HydrophobicContact CD1-CZ2 4.43Å; F227-W261 AromaticContact CD1-NE1 3.76Å; F227-W261 HydrophobicContact CE1-CB 3.48Å; F227-W261 VanDerWaalsContact CE1-CB 3.48Å; F227-W261 AromaticContact CE1-CD1 3.74Å; F227-W261 HydrophobicContact CE1-CD2 4.12Å; F227-W261 AromaticContact CE1-CG 3.53Å; F227-W261 HydrophobicContact CE1-CG 3.53Å; F227-W261 HydrophobicContact CG-CD2 4.1Å; F227-W261 HydrophobicContact CG-CE3 4.17Å; F227-W261 HydrophobicContact CG-CG 4.38Å; F227-W261 HydrophobicContact CZ-CB 4.29Å; F227-E264 HydrophobicContact CB-CG 4.08Å; F227-E264 HydrophobicContact CD1-CG 4.41Å; F227-E264 HydrophobicContact CD2-CB 3.82Å; F227-E264 HydrophobicContact CD2-CG 3.19Å; F227-E264 HydrophobicContact CE2-CB 3.67Å; F227-E264 HydrophobicContact CE2-CG 3.59Å; F227-E264 HydrophobicContact CG-CB 4.32Å; F227-E264 HydrophobicContact CG-CG 3.65Å; F227-E264 HydrophobicContact CZ-CB 4.06Å; F227-E264 HydrophobicContact CZ-CG 4.35Å
228	D	78.1	Confident	86.8	Confident	104 Å²	104	58.3 Å²	58.3	56%	0.556	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-90.8	170.7	-179.2	-69.4	-41.5	0	0	0	112	P230	D228-P230 WeakPolarHBondContact O-CD 3.3Å
229	K	82.6	Confident	87.5	Confident	118 Å²	118	57.1 Å²	57.1	51%	0.513	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-53.1	127.1	170.7	-176	174.3	-179.7	177.9	0	109	V231 W244	K229-V231 PolarHBondContact O-N 2.89Å; K229-W244 VanDerWaalsContact CA-CZ2 3.5Å; K229-W244 HydrophobicContact CB-CD2 4.11Å; K229-W244 HydrophobicContact CB-CG 4.27Å; K229-W244 HydrophobicContact CB-CZ2 4.11Å; K229-W244 HydrophobicContact CD-CB 4.42Å; K229-W244 HydrophobicContact CD-CG 4.03Å; K229-W244 HydrophobicContact CG-CB 4.4Å; K229-W244 HydrophobicContact CG-CD2 3.96Å; K229-W244 HydrophobicContact CG-CG 3.79Å
230	P	86.2	Confident	88.1	Confident	12 Å²	12	53.4 Å²	53.4	8%	0.078	28%	0.281	C	S	.	.			trans	-57.2	113.6	177.4	-28.4	35.5	0	0	0	111.4	D228 L235 T236 A241 W244	D228-P230 WeakPolarHBondContact O-CD 3.3Å; P230-L235 HydrophobicContact CB-CB 3.95Å; P230-L235 HydrophobicContact CB-CD1 3.82Å; P230-L235 HydrophobicContact CG-CD1 4.4Å; P230-T236 WeakPolarHBondContact O-CG2 3.36Å; P230-A241 HydrophobicContact CB-CB 4.33Å; P230-W244 HydrophobicContact CG-CZ3 4.32Å
231	V	88.4	Confident	88.6	Confident	131 Å²	131	54.1 Å²	54.1	79%	0.794	29%	0.288	S	S	*	.			trans	-104.3	-15.1	174.3	-65	0	0	0	0	112.6	K229	K229-V231 PolarHBondContact O-N 2.89Å
232	S	90.3	Very high	89.4	Confident	20 Å²	20	55.1 Å²	55.1	14%	0.14	29%	0.288	C	S	.	.			trans	-61.3	129.1	178	-179.5	0	0	0	0	110.1	L234 L235 T236	S232-L234 PolarHBondContact O-N 3.3Å; S232-L234 VanDerWaalsContact O-N 3.16Å; S232-L235 PolarHBondContact O-N 3.41Å; S232-T236 PolarHBondContact O-N 2.96Å; S232-T236 PolarHBondContact O-OG1 3.44Å
233	P	93.2	Very high	90.4	Very high	70 Å²	70	52.7 Å²	52.7	46%	0.455	28%	0.275	S	S	.	.	H	α-helix	trans	-63.1	-23.1	179.4	28.5	-36.3	0	0	0	112.2	N96 L235 T236 S237	N96-P233 PolarHBondContact ND2-O 2.74Å; N96-P233 VanDerWaalsContact OD1-CB 3.31Å; N96-P233 WeakPolarHBondContact OD1-CB 3.2Å; N96-P233 WeakPolarHBondContact OD1-CG 3.31Å; P233-L235 VanDerWaalsContact C-N 3.29Å; P233-L235 PolarHBondContact O-N 3.31Å; P233-T236 WeakPolarHBondContact CA-OG1 3.25Å; P233-S237 WeakPolarHBondContact O-CB 3.44Å; P233-S237 PolarHBondContact O-N 3.03Å; P233-S237 PolarHBondContact O-OG 2.87Å
234	L	93.6	Very high	91.1	Very high	37 Å²	37	52.5 Å²	52.5	19%	0.194	27%	0.272	C	S	.	.	H	α-helix	trans	-62.9	-35.6	173.3	-63.2	173	0	0	0	112.4	T92 N96 T104 S232 A238	T92-L234 PolarHBondContact OG1-O 3.25Å; N96-L234 HydrophobicContact CB-CD2 3.72Å; T104-L234 HydrophobicContact CG2-CD1 3.83Å; T104-L234 HydrophobicContact CG2-CD2 4.14Å; S232-L234 PolarHBondContact O-N 3.3Å; S232-L234 VanDerWaalsContact O-N 3.16Å; L234-A238 VanDerWaalsContact O-CB 3.24Å; L234-A238 WeakPolarHBondContact O-CB 3.36Å
235	L	95	Very high	92	Very high	28 Å²	28	47.4 Å²	47.4	15%	0.147	25%	0.252	C	S	.	.	H	α-helix	trans	-88	-39.4	-178.4	-61.8	-179.8	0	0	0	111.6	P230 S232 P233 A238 F239 M240 E265	P230-L235 HydrophobicContact CB-CB 3.95Å; P230-L235 HydrophobicContact CB-CD1 3.82Å; P230-L235 HydrophobicContact CG-CD1 4.4Å; S232-L235 PolarHBondContact O-N 3.41Å; P233-L235 VanDerWaalsContact C-N 3.29Å; P233-L235 PolarHBondContact O-N 3.31Å; L235-A238 CarbonylContact O-C 3.58Å; L235-A238 PolarHBondContact O-N 3.33Å; L235-F239 PolarHBondContact O-N 3.18Å; L235-M240 HydrophobicContact CD2-CE 3.77Å; L235-M240 HydrophobicContact CD2-SD 3.74Å; L235-M240 WeakPolarHBondContact O-CB 3.32Å; L235-M240 PolarHBondContact O-N 3.41Å; L235-E265 HydrophobicContact CD1-CG 3.88Å; L235-E265 HydrophobicContact CD2-CG 3.82Å
236	T	96.4	Very high	92.6	Very high	60 Å²	60	48.6 Å²	48.6	37%	0.368	26%	0.26	S	S	.	.	H	α-helix	trans	-71.3	-42.3	-179.8	57.7	0	0	0	0	111.9	P230 S232 P233 A238 F239 A241	P230-T236 WeakPolarHBondContact O-CG2 3.36Å; S232-T236 PolarHBondContact O-N 2.96Å; S232-T236 PolarHBondContact O-OG1 3.44Å; P233-T236 WeakPolarHBondContact CA-OG1 3.25Å; T236-A238 PolarHBondContact O-N 3.04Å; T236-F239 PolarHBondContact O-N 3.06Å; T236-A241 HydrophobicContact CG2-CB 4.03Å
237	S	97.1	Very high	93.3	Very high	24 Å²	24	48 Å²	48	17%	0.168	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-15.8	171	-71	0	0	0	0	113.5	D95 P233 F239	D95-S237 WeakPolarHBondContact CB-OG 3.41Å; D95-S237 VanDerWaalsContact OD2-CB 3.25Å; D95-S237 WeakPolarHBondContact OD2-CB 3.25Å; D95-S237 PolarHBondContact OD2-OG 2.92Å; P233-S237 WeakPolarHBondContact O-CB 3.44Å; P233-S237 PolarHBondContact O-N 3.03Å; P233-S237 PolarHBondContact O-OG 2.87Å; S237-F239 VanDerWaalsContact C-N 3.3Å
238	A	97.9	Very high	94	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	10.1	170.2	0	0	0	0	0	112.9	T92 V108 P177 L234 L235 T236 M240	T92-A238 HydrophobicContact CG2-CB 4.28Å; V108-A238 HydrophobicContact CG1-CB 4.05Å; V108-A238 HydrophobicContact CG2-CB 4.12Å; P177-A238 WeakPolarHBondContact CA-O 3.3Å; P177-A238 VanDerWaalsContact CB-O 3.26Å; P177-A238 WeakPolarHBondContact CB-O 3.38Å; L234-A238 VanDerWaalsContact O-CB 3.24Å; L234-A238 WeakPolarHBondContact O-CB 3.36Å; L235-A238 CarbonylContact O-C 3.58Å; L235-A238 PolarHBondContact O-N 3.33Å; T236-A238 PolarHBondContact O-N 3.04Å; A238-M240 HydrophobicContact CB-CG 3.97Å; A238-M240 HydrophobicContact CB-SD 3.72Å; A238-M240 WeakPolarHBondContact O-CG 3.43Å; A238-M240 PolarHBondContact O-N 2.72Å
239	F	97.8	Very high	94.9	Very high	73 Å²	73	42.7 Å²	42.7	32%	0.32	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	20.1	178.4	-43.5	-79.8	0	0	0	115.1	W84 Q91 L235 T236 S237 R242	W84-F239 AromaticContact CH2-CD2 3.94Å; W84-F239 HydrophobicContact CH2-CD2 3.94Å; W84-F239 HydrophobicContact CH2-CE2 4.37Å; Q91-F239 HydrophobicContact CB-CE2 4.18Å; Q91-F239 HydrophobicContact CB-CZ 4.37Å; Q91-F239 HydrophobicContact CG-CE2 4.36Å; Q91-F239 HydrophobicContact CG-CZ 4.07Å; L235-F239 PolarHBondContact O-N 3.18Å; T236-F239 PolarHBondContact O-N 3.06Å; S237-F239 VanDerWaalsContact C-N 3.3Å; F239-R242 WeakPolarHBondContact O-CG 3.47Å; F239-R242 PolarHBondContact O-NE 3.07Å
240	M	98.1	Very high	95.6	Very high	10 Å²	10	37.1 Å²	37.1	5%	0.049	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-13.3	-172.6	-61.1	169.4	62.8	0	0	113.3	P176 P177 L235 A238 R248 E265 T315	P176-M240 HydrophobicContact CB-CE 4.45Å; P176-M240 HydrophobicContact CB-CG 4.34Å; P177-M240 HydrophobicContact CG-CG 3.93Å; P177-M240 HydrophobicContact CG-SD 4.32Å; L235-M240 HydrophobicContact CD2-CE 3.77Å; L235-M240 HydrophobicContact CD2-SD 3.74Å; L235-M240 WeakPolarHBondContact O-CB 3.32Å; L235-M240 PolarHBondContact O-N 3.41Å; A238-M240 HydrophobicContact CB-CG 3.97Å; A238-M240 HydrophobicContact CB-SD 3.72Å; A238-M240 WeakPolarHBondContact O-CG 3.43Å; A238-M240 PolarHBondContact O-N 2.72Å; M240-R248 PolarHBondContact O-NH2 2.89Å; M240-E265 HydrophobicContact CE-CB 3.82Å; M240-E265 HydrophobicContact CE-CG 4.07Å; M240-E265 WeakPolarHBondContact CE-O 3.5Å; M240-T315 HydrophobicContact CE-CG2 4.19Å; M240-T315 HydrophobicContact SD-CG2 4.22Å
241	A	97.3	Very high	96.2	Very high	21 Å²	21	36.7 Å²	36.7	17%	0.174	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	4.9	180	0	0	0	0	0	114.6	P230 T236	P230-A241 HydrophobicContact CB-CB 4.33Å; T236-A241 HydrophobicContact CG2-CB 4.03Å
242	R	97.8	Very high	96.6	Very high	79 Å²	79	31 Å²	31	30%	0.298	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	142.2	-176.7	-68.9	177.7	-62.1	107.5	-2.3	112	P176 P177 C179 F239 W244 R248	P176-R242 PolarHBondContact O-NH2 3.43Å; P177-R242 VanDerWaalsContact C-NH2 3.34Å; P177-R242 PolarHBondContact O-NH2 2.83Å; C179-R242 PolarHBondContact O-NH1 2.92Å; C179-R242 PolarHBondContact O-NH2 3.42Å; F239-R242 WeakPolarHBondContact O-CG 3.47Å; F239-R242 PolarHBondContact O-NE 3.07Å; R242-W244 PolarHBondContact O-N 3.16Å; R242-W244 VanDerWaalsContact O-N 3.13Å; R242-R248 PolarHBondContact O-NH1 3.12Å; R242-R248 PolarHBondContact O-NH2 2.86Å
243	D	97.7	Very high	97	Very high	54 Å²	54	30 Å²	30	29%	0.289	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	19.8	176.8	-40.1	-78.2	0	0	0	115.2	R181 R184 D246	R181-D243 WeakPolarHBondContact CD-OD1 3.45Å; R181-D243 HydrophobicContact CG-CB 4.1Å; R181-D243 IonicContact CZ-OD1 3.24Å; R181-D243 IonicContact NH1-OD1 3.24Å; R181-D243 PolarHBondContact NH1-OD1 2.85Å; R184-D243 IonicContact CZ-OD2 3.81Å; R184-D243 IonicContact NH1-OD2 2.66Å; R184-D243 PolarHBondContact NH1-OD2 2.79Å; R184-D243 IonicContact NH2-OD2 2.74Å; D243-D246 HydrophobicContact CB-CB 4.17Å; D243-D246 WeakPolarHBondContact O-CB 3.13Å; D243-D246 PolarHBondContact O-N 3.02Å
244	W	95.7	Very high	97.2	Very high	57 Å²	57	32.4 Å²	32.4	22%	0.216	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	135	-179.1	-175.8	-83.1	0	0	0	112.6	L209 F227 K229 P230 R242 R248	L209-W244 HydrophobicContact CD1-CH2 3.67Å; L209-W244 HydrophobicContact CD1-CZ2 3.44Å; L209-W244 VanDerWaalsContact CD1-CZ2 3.44Å; F227-W244 AromaticContact CD2-CH2 3.6Å; F227-W244 HydrophobicContact CD2-CH2 3.6Å; F227-W244 HydrophobicContact CD2-CZ3 4.33Å; F227-W244 AromaticContact CE2-CH2 3.5Å; F227-W244 HydrophobicContact CE2-CH2 3.5Å; F227-W244 VanDerWaalsContact CE2-CH2 3.5Å; F227-W244 HydrophobicContact CE2-CZ3 4.03Å; K229-W244 VanDerWaalsContact CA-CZ2 3.5Å; K229-W244 HydrophobicContact CB-CD2 4.11Å; K229-W244 HydrophobicContact CB-CG 4.27Å; K229-W244 HydrophobicContact CB-CZ2 4.11Å; K229-W244 HydrophobicContact CD-CB 4.42Å; K229-W244 HydrophobicContact CD-CG 4.03Å; K229-W244 HydrophobicContact CG-CB 4.4Å; K229-W244 HydrophobicContact CG-CD2 3.96Å; K229-W244 HydrophobicContact CG-CG 3.79Å; P230-W244 HydrophobicContact CG-CZ3 4.32Å; R242-W244 PolarHBondContact O-N 3.16Å; R242-W244 VanDerWaalsContact O-N 3.13Å; W244-R248 HydrophobicContact CE3-CG 4.21Å; W244-R248 HydrophobicContact CZ3-CG 3.91Å
245	P	95.8	Very high	97.4	Very high	48 Å²	48	36.9 Å²	36.9	31%	0.312	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	cis	-97.7	20.4	4	38.4	-35.7	0	0	0	115.1	L209 A247 R248	L209-P245 HydrophobicContact CB-CB 3.83Å; L209-P245 HydrophobicContact CD1-CB 4.47Å; P245-A247 PolarHBondContact O-N 3.46Å; P245-R248 WeakPolarHBondContact O-CB 3.39Å; P245-R248 PolarHBondContact O-N 3.12Å; P245-R248 VanDerWaalsContact O-N 3.1Å
246	D	98.1	Very high	97.4	Very high	46 Å²	46	38 Å²	38	25%	0.246	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	126.4	-174.4	-175.5	-98.7	0	0	0	112.6	R184 R185 D243 R248	R184-D246 WeakPolarHBondContact CD-O 3.28Å; R185-D246 IonicContact CZ-OD1 3.32Å; R185-D246 IonicContact CZ-OD2 2.86Å; R185-D246 IonicContact NE-OD1 2.7Å; R185-D246 PolarHBondContact NE-OD1 3.39Å; R185-D246 VanDerWaalsContact NE-OD1 3.08Å; R185-D246 IonicContact NE-OD2 2.7Å; R185-D246 PolarHBondContact NE-OD2 3.36Å; R185-D246 IonicContact NH2-OD1 2.64Å; R185-D246 IonicContact NH2-OD2 2.76Å; R185-D246 PolarHBondContact NH2-OD2 2.89Å; D243-D246 HydrophobicContact CB-CB 4.17Å; D243-D246 WeakPolarHBondContact O-CB 3.13Å; D243-D246 PolarHBondContact O-N 3.02Å; D246-R248 WeakPolarHBondContact O-CD 3.07Å; D246-R248 PolarHBondContact O-N 3.3Å; D246-R248 PolarHBondContact O-NH1 3.28Å
247	A	98.3	Very high	97.5	Very high	7 Å²	7	36.2 Å²	36.2	6%	0.058	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	27.4	179.9	0	0	0	0	0	115.5	R184 R185 E188 P245 N263	R184-A247 HydrophobicContact CB-CB 4.46Å; R184-A247 HydrophobicContact CG-CB 3.94Å; R185-A247 HydrophobicContact CB-CB 4.35Å; R185-A247 HydrophobicContact CG-CB 3.71Å; E188-A247 HydrophobicContact CB-CB 4.15Å; E188-A247 WeakPolarHBondContact OE2-CA 2.99Å; E188-A247 WeakPolarHBondContact OE2-CB 3.48Å; P245-A247 PolarHBondContact O-N 3.46Å; A247-N263 VanDerWaalsContact O-CB 3.3Å; A247-N263 WeakPolarHBondContact O-CB 3.36Å; A247-N263 PolarHBondContact O-ND2 3.42Å
248	R	98.4	Very high	97.5	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.008	17%	0.174	C	C	.	.			trans	-106.2	146.9	171.2	-80.2	65.7	168.4	-142.9	-6	110	R184 L209 F227 M240 R242 W244 P245 D246 V262 N263	R184-R248 VanDerWaalsContact CD-NH1 3.35Å; R184-R248 VanDerWaalsContact NE-CZ 3.33Å; L209-R248 HydrophobicContact CB-CB 4.49Å; L209-R248 WeakPolarHBondContact CB-O 3.36Å; L209-R248 HydrophobicContact CD1-CB 3.76Å; L209-R248 HydrophobicContact CG-CB 4.13Å; L209-R248 WeakPolarHBondContact CG-O 3.45Å; L209-R248 PolarHBondContact N-O 3.2Å; F227-R248 HydrophobicContact CE2-CB 4.39Å; F227-R248 HydrophobicContact CE2-CG 4.48Å; F227-R248 HydrophobicContact CZ-CB 4.43Å; M240-R248 PolarHBondContact O-NH2 2.89Å; R242-R248 PolarHBondContact O-NH1 3.12Å; R242-R248 PolarHBondContact O-NH2 2.86Å; W244-R248 HydrophobicContact CE3-CG 4.21Å; W244-R248 HydrophobicContact CZ3-CG 3.91Å; P245-R248 WeakPolarHBondContact O-CB 3.39Å; P245-R248 PolarHBondContact O-N 3.12Å; P245-R248 VanDerWaalsContact O-N 3.1Å; D246-R248 WeakPolarHBondContact O-CD 3.07Å; D246-R248 PolarHBondContact O-N 3.3Å; D246-R248 PolarHBondContact O-NH1 3.28Å; R248-V262 WeakPolarHBondContact CA-O 3.49Å; R248-N263 WeakPolarHBondContact CD-O 3.5Å; R248-N263 HydrophobicContact CG-CB 3.98Å; R248-N263 WeakPolarHBondContact CG-O 3.32Å; R248-N263 PolarHBondContact NE-O 3.49Å
249	G	97.2	Very high	97.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.9	177.8	176.3	0	0	0	0	0	113	Y206 Y207 F227 V262	Y206-G249 VanDerWaalsContact OH-CA 3.31Å; Y206-G249 WeakPolarHBondContact OH-CA 3.13Å; Y206-G249 PolarHBondContact OH-N 3.01Å; Y207-G249 CarbonylContact O-C 3.46Å; Y207-G249 WeakPolarHBondContact O-CA 3.41Å; F227-G249 WeakPolarHBondContact CE1-O 3.43Å; F227-G249 WeakPolarHBondContact CZ-O 3.46Å; G249-V262 PolarHBondContact N-O 3.49Å; G249-V262 PolarHBondContact O-N 2.79Å
250	I	97.6	Very high	97.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	133.9	178.4	179.4	167.2	0	0	0	108.9	Y206 Y207 M212 L220 F225 L226 F227 L259	Y206-I250 CarbonylContact C-O 3.57Å; Y206-I250 WeakPolarHBondContact CD2-O 3.48Å; Y207-I250 PolarHBondContact N-O 3.38Å; Y207-I250 PolarHBondContact O-N 3.3Å; M212-I250 HydrophobicContact CE-CG2 3.95Å; L220-I250 HydrophobicContact CD1-CG2 3.86Å; F225-I250 HydrophobicContact CB-CD1 3.92Å; F225-I250 WeakPolarHBondContact O-CD1 3.48Å; L226-I250 HydrophobicContact CD1-CG2 4.01Å; F227-I250 HydrophobicContact CE1-CB 4.42Å; I250-L259 HydrophobicContact CD1-CD2 4.26Å
251	W	98.2	Very high	97.6	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.015	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	142.9	165	178.9	98.8	0	0	0	108.9	L195 L198 L202 R205 Y206 N253 F258 L259 I260	L195-W251 HydrophobicContact CB-CD2 4.37Å; L195-W251 HydrophobicContact CB-CG 4.2Å; L195-W251 HydrophobicContact CD1-CB 3.52Å; L195-W251 HydrophobicContact CD1-CD2 3.88Å; L195-W251 HydrophobicContact CD1-CE3 4.38Å; L195-W251 HydrophobicContact CD1-CG 3.48Å; L195-W251 VanDerWaalsContact CD1-CG 3.48Å; L195-W251 HydrophobicContact CG-CG 4.38Å; L198-W251 HydrophobicContact CD1-CH2 3.6Å; L198-W251 HydrophobicContact CD1-CZ2 3.63Å; L198-W251 HydrophobicContact CD1-CZ3 4.33Å; L202-W251 WeakPolarHBondContact O-CH2 3.47Å; L202-W251 WeakPolarHBondContact O-CZ2 3.24Å; R205-W251 WeakPolarHBondContact O-CA 3.18Å; Y206-W251 HydrophobicContact CD2-CB 4.07Å; W251-N253 HydrophobicContact CH2-CB 3.9Å; W251-N253 HydrophobicContact CZ3-CB 4.44Å; W251-F258 AromaticContact CH2-CD1 3.83Å; W251-F258 HydrophobicContact CH2-CD1 3.83Å; W251-F258 HydrophobicContact CH2-CE1 4.43Å; W251-F258 AromaticContact CZ3-CD1 3.48Å; W251-F258 HydrophobicContact CZ3-CD1 3.48Å; W251-F258 VanDerWaalsContact CZ3-CD1 3.48Å; W251-F258 HydrophobicContact CZ3-CE1 4.05Å; W251-F258 HydrophobicContact CZ3-CG 4.35Å; W251-F258 WeakPolarHBondContact CZ3-O 3.47Å; W251-L259 CarbonylContact O-C 3.6Å; W251-L259 WeakPolarHBondContact O-CA 3.3Å; W251-I260 HydrophobicContact CB-CB 4.47Å; W251-I260 HydrophobicContact CE3-CB 4.27Å; W251-I260 HydrophobicContact CE3-CD1 4.16Å; W251-I260 HydrophobicContact CE3-CG1 4.08Å; W251-I260 HydrophobicContact CZ3-CD1 4.41Å; W251-I260 HydrophobicContact CZ3-CG1 4.48Å; W251-I260 PolarHBondContact N-O 2.84Å; W251-I260 PolarHBondContact O-N 3.37Å
252	H	98	Very high	97.7	Very high	10 Å²	10	32.2 Å²	32.2	5%	0.046	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	152.5	166.3	64.3	74.4	0	0	0	111.2	G204 R205 Y207 F258 L259	G204-H252 CarbonylContact C-O 3.4Å; G204-H252 WeakPolarHBondContact CA-O 3.44Å; R205-H252 PolarHBondContact N-O 3.28Å; R205-H252 PolarHBondContact O-N 3.1Å; Y207-H252 AromaticContact CE2-CD2 3.84Å; Y207-H252 AromaticContact CE2-CE1 3.93Å; Y207-H252 AromaticContact CE2-NE2 3.32Å; Y207-H252 VanDerWaalsContact CE2-NE2 3.32Å; Y207-H252 WeakPolarHBondContact CE2-NE2 3.34Å; Y207-H252 AromaticContact CZ-NE2 3.86Å; H252-F258 CarbonylContact C-O 3.52Å; H252-F258 VanDerWaalsContact CA-O 3.32Å; H252-F258 WeakPolarHBondContact CA-O 3.43Å; H252-L259 HydrophobicContact CB-CB 4.35Å; H252-L259 HydrophobicContact CB-CD2 4.04Å; H252-L259 HydrophobicContact CB-CG 3.81Å
253	N	98.4	Very high	97.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	165.4	170.8	74.2	-25.3	0	0	0	111.4	D201 A203 W251 E255 K256 T257 F258	D201-N253 WeakPolarHBondContact O-CB 3.19Å; D201-N253 PolarHBondContact O-ND2 2.81Å; A203-N253 CarbonylContact O-C 3.58Å; A203-N253 VanDerWaalsContact O-CA 3.25Å; A203-N253 WeakPolarHBondContact O-CA 3.11Å; A203-N253 WeakPolarHBondContact O-CB 3.31Å; W251-N253 HydrophobicContact CH2-CB 3.9Å; W251-N253 HydrophobicContact CZ3-CB 4.44Å; N253-E255 PolarHBondContact O-N 2.8Å; N253-K256 PolarHBondContact O-N 3.3Å; N253-K256 WeakPolarHBondContact OD1-CA 3.39Å; N253-K256 PolarHBondContact OD1-N 3.42Å; N253-T257 PolarHBondContact ND2-OG1 2.85Å; N253-T257 PolarHBondContact OD1-N 3.38Å; N253-F258 HydrophobicContact CB-CB 4.37Å; N253-F258 PolarHBondContact N-O 3.04Å; N253-F258 PolarHBondContact OD1-N 2.71Å; N253-F258 PolarHBondContact OD1-O 3.49Å
254	N	97.3	Very high	97.6	Very high	121 Å²	121	26.7 Å²	26.7	65%	0.647	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-32	-177.5	-64.6	-33.2	0	0	0	113.1	A203 K256	A203-N254 PolarHBondContact O-N 2.95Å; A203-N254 PolarHBondContact O-ND2 2.92Å; N254-K256 VanDerWaalsContact C-N 3.34Å
255	E	96.8	Very high	97.6	Very high	131 Å²	131	26.5 Å²	26.5	61%	0.612	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-3.8	179.5	-62.5	-177.8	-179.8	0	0	113.7	N253 T257	N253-E255 PolarHBondContact O-N 2.8Å; E255-T257 HydrophobicContact CB-CG2 4.2Å; E255-T257 PolarHBondContact O-N 2.62Å
256	K	96	Very high	97.7	Very high	51 Å²	51	24.3 Å²	24.3	22%	0.222	12%	0.119	C	C	.	.	S	Bend	trans	55.2	34.8	-177.1	-45.3	-167.8	-176.7	-175.8	0	113.8	E223 F225 N253 N254	E223-K256 IonicContact OE1-NZ 2.61Å; E223-K256 PolarHBondContact OE1-NZ 3.35Å; E223-K256 WeakPolarHBondContact OE2-CD 3.35Å; E223-K256 IonicContact OE2-NZ 2.96Å; E223-K256 PolarHBondContact OE2-NZ 3.48Å; F225-K256 HydrophobicContact CD2-CD 4.14Å; F225-K256 HydrophobicContact CE2-CB 3.62Å; F225-K256 HydrophobicContact CE2-CD 3.47Å; F225-K256 VanDerWaalsContact CE2-CD 3.47Å; F225-K256 HydrophobicContact CE2-CG 4.13Å; F225-K256 HydrophobicContact CZ-CB 3.74Å; F225-K256 HydrophobicContact CZ-CD 4.36Å; N253-K256 PolarHBondContact O-N 3.3Å; N253-K256 WeakPolarHBondContact OD1-CA 3.39Å; N253-K256 PolarHBondContact OD1-N 3.42Å; N254-K256 VanDerWaalsContact C-N 3.34Å
257	T	97.4	Very high	97.8	Very high	23 Å²	23	22.2 Å²	22.2	14%	0.141	11%	0.108	C	C	.	.	S	Bend	trans	-109.4	-10.4	178.8	55.4	0	0	0	0	113.3	N253 E255 S272 M273 R285	N253-T257 PolarHBondContact ND2-OG1 2.85Å; N253-T257 PolarHBondContact OD1-N 3.38Å; E255-T257 HydrophobicContact CB-CG2 4.2Å; E255-T257 PolarHBondContact O-N 2.62Å; T257-S272 WeakPolarHBondContact O-CA 3.08Å; T257-M273 VanDerWaalsContact CA-O 3.31Å; T257-M273 WeakPolarHBondContact CA-O 3.45Å; T257-M273 PolarHBondContact O-N 2.75Å; T257-R285 PolarHBondContact O-NE 2.93Å; T257-R285 PolarHBondContact O-NH2 2.71Å
258	F	98.6	Very high	97.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	121.9	173.5	-170.1	-118.6	0	0	0	109.2	L198 L202 W251 H252 N253 I260 V270 I271	L198-F258 HydrophobicContact CD1-CE1 4.5Å; L202-F258 HydrophobicContact CD2-CB 4.24Å; L202-F258 HydrophobicContact CD2-CD1 3.79Å; L202-F258 HydrophobicContact CD2-CE1 4.35Å; L202-F258 HydrophobicContact CD2-CG 4.03Å; W251-F258 AromaticContact CH2-CD1 3.83Å; W251-F258 HydrophobicContact CH2-CD1 3.83Å; W251-F258 HydrophobicContact CH2-CE1 4.43Å; W251-F258 AromaticContact CZ3-CD1 3.48Å; W251-F258 HydrophobicContact CZ3-CD1 3.48Å; W251-F258 VanDerWaalsContact CZ3-CD1 3.48Å; W251-F258 HydrophobicContact CZ3-CE1 4.05Å; W251-F258 HydrophobicContact CZ3-CG 4.35Å; W251-F258 WeakPolarHBondContact CZ3-O 3.47Å; H252-F258 CarbonylContact C-O 3.52Å; H252-F258 VanDerWaalsContact CA-O 3.32Å; H252-F258 WeakPolarHBondContact CA-O 3.43Å; N253-F258 HydrophobicContact CB-CB 4.37Å; N253-F258 PolarHBondContact N-O 3.04Å; N253-F258 PolarHBondContact OD1-N 2.71Å; N253-F258 PolarHBondContact OD1-O 3.49Å; F258-I260 HydrophobicContact CE1-CD1 4.03Å; F258-I260 HydrophobicContact CE1-CG1 4.45Å; F258-I260 HydrophobicContact CZ-CD1 4.35Å; F258-V270 HydrophobicContact CE2-CG1 3.47Å; F258-V270 VanDerWaalsContact CE2-CG1 3.47Å; F258-V270 HydrophobicContact CZ-CG1 3.43Å; F258-V270 VanDerWaalsContact CZ-CG1 3.43Å; F258-I271 CarbonylContact C-O 3.57Å; F258-I271 WeakPolarHBondContact CA-O 3.38Å; F258-I271 VanDerWaalsContact CD2-O 3.27Å; F258-I271 WeakPolarHBondContact CD2-O 3.44Å
259	L	98.1	Very high	97.8	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.01	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	148.4	-172	-53.8	91.4	0	0	0	110.5	F225 I250 W251 H252 I271 M273	F225-L259 HydrophobicContact CB-CD2 3.71Å; F225-L259 HydrophobicContact CD1-CD1 4.46Å; F225-L259 HydrophobicContact CD1-CD2 3.33Å; F225-L259 HydrophobicContact CD2-CD2 4.2Å; F225-L259 HydrophobicContact CE1-CD1 4.39Å; F225-L259 HydrophobicContact CE1-CD2 3.94Å; F225-L259 HydrophobicContact CG-CD2 3.48Å; F225-L259 VanDerWaalsContact CG-CD2 3.48Å; I250-L259 HydrophobicContact CD1-CD2 4.26Å; W251-L259 CarbonylContact O-C 3.6Å; W251-L259 WeakPolarHBondContact O-CA 3.3Å; H252-L259 HydrophobicContact CB-CB 4.35Å; H252-L259 HydrophobicContact CB-CD2 4.04Å; H252-L259 HydrophobicContact CB-CG 3.81Å; L259-I271 HydrophobicContact CB-CB 4.25Å; L259-I271 HydrophobicContact CD1-CG2 4.32Å; L259-I271 PolarHBondContact N-O 3.25Å; L259-I271 PolarHBondContact O-N 3.4Å; L259-M273 HydrophobicContact CD1-CG 3.78Å; L259-M273 HydrophobicContact CD1-SD 3.9Å
260	I	98.6	Very high	97.9	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.01	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	118	175.6	-60.1	174.8	0	0	0	108.5	L195 W251 F258 V262 T268 R269 V270 V293	L195-I260 HydrophobicContact CD1-CB 4.16Å; L195-I260 HydrophobicContact CD1-CD1 3.96Å; L195-I260 HydrophobicContact CD1-CG2 4.26Å; L195-I260 HydrophobicContact CD2-CD1 3.32Å; L195-I260 HydrophobicContact CG-CD1 4.27Å; W251-I260 HydrophobicContact CB-CB 4.47Å; W251-I260 HydrophobicContact CE3-CB 4.27Å; W251-I260 HydrophobicContact CE3-CD1 4.16Å; W251-I260 HydrophobicContact CE3-CG1 4.08Å; W251-I260 HydrophobicContact CZ3-CD1 4.41Å; W251-I260 HydrophobicContact CZ3-CG1 4.48Å; W251-I260 PolarHBondContact N-O 2.84Å; W251-I260 PolarHBondContact O-N 3.37Å; F258-I260 HydrophobicContact CE1-CD1 4.03Å; F258-I260 HydrophobicContact CE1-CG1 4.45Å; F258-I260 HydrophobicContact CZ-CD1 4.35Å; I260-V262 HydrophobicContact CG2-CG2 4.33Å; I260-T268 HydrophobicContact CG2-CG2 4.32Å; I260-R269 VanDerWaalsContact CA-O 3.29Å; I260-R269 WeakPolarHBondContact CA-O 3.16Å; I260-V270 HydrophobicContact CD1-CG2 4.33Å; I260-V270 HydrophobicContact CG1-CB 4.46Å; I260-V270 HydrophobicContact CG1-CG1 4.25Å; I260-V270 HydrophobicContact CG1-CG2 4.18Å; I260-V293 HydrophobicContact CD1-CG2 4.05Å
261	W	98.4	Very high	97.9	Very high	39 Å²	39	22.5 Å²	22.5	15%	0.148	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	138.1	167.7	-57.3	-18.6	0	0	0	109.2	F225 F227 T268 R269 I271	F225-W261 WeakPolarHBondContact O-CZ2 3.03Å; F225-W261 PolarHBondContact O-NE1 2.81Å; F227-W261 HydrophobicContact CB-CD2 4.19Å; F227-W261 HydrophobicContact CB-CE3 4Å; F227-W261 HydrophobicContact CB-CH2 3.96Å; F227-W261 HydrophobicContact CB-CZ2 4.15Å; F227-W261 HydrophobicContact CB-CZ3 3.88Å; F227-W261 HydrophobicContact CD1-CB 3.76Å; F227-W261 AromaticContact CD1-CD1 3.56Å; F227-W261 AromaticContact CD1-CD2 3.41Å; F227-W261 HydrophobicContact CD1-CD2 3.41Å; F227-W261 VanDerWaalsContact CD1-CD2 3.41Å; F227-W261 AromaticContact CD1-CE2 3.71Å; F227-W261 AromaticContact CD1-CE3 3.93Å; F227-W261 HydrophobicContact CD1-CE3 3.93Å; F227-W261 AromaticContact CD1-CG 3.33Å; F227-W261 HydrophobicContact CD1-CG 3.33Å; F227-W261 HydrophobicContact CD1-CZ2 4.43Å; F227-W261 AromaticContact CD1-NE1 3.76Å; F227-W261 HydrophobicContact CE1-CB 3.48Å; F227-W261 VanDerWaalsContact CE1-CB 3.48Å; F227-W261 AromaticContact CE1-CD1 3.74Å; F227-W261 HydrophobicContact CE1-CD2 4.12Å; F227-W261 AromaticContact CE1-CG 3.53Å; F227-W261 HydrophobicContact CE1-CG 3.53Å; F227-W261 HydrophobicContact CG-CD2 4.1Å; F227-W261 HydrophobicContact CG-CE3 4.17Å; F227-W261 HydrophobicContact CG-CG 4.38Å; F227-W261 HydrophobicContact CZ-CB 4.29Å; W261-T268 CarbonylContact O-C 3.5Å; W261-T268 VanDerWaalsContact O-CA 3.24Å; W261-T268 WeakPolarHBondContact O-CA 3.3Å; W261-R269 HydrophobicContact CB-CB 4.11Å; W261-R269 HydrophobicContact CE3-CB 4.32Å; W261-R269 HydrophobicContact CE3-CG 4.37Å; W261-R269 PolarHBondContact N-O 3.15Å; W261-R269 PolarHBondContact O-N 3.48Å; W261-I271 HydrophobicContact CD2-CD1 4.03Å; W261-I271 HydrophobicContact CG-CD1 4.37Å; W261-I271 HydrophobicContact CZ2-CD1 4.25Å
262	V	98.7	Very high	97.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.3	-176.5	-174.8	0	0	0	0	109.1	E188 T191 Y206 R248 G249 I260 E264	E188-V262 HydrophobicContact CB-CG1 4.24Å; T191-V262 HydrophobicContact CG2-CG2 3.92Å; Y206-V262 HydrophobicContact CE2-CB 4.27Å; Y206-V262 HydrophobicContact CE2-CG2 3.91Å; R248-V262 WeakPolarHBondContact CA-O 3.49Å; G249-V262 PolarHBondContact N-O 3.49Å; G249-V262 PolarHBondContact O-N 2.79Å; I260-V262 HydrophobicContact CG2-CG2 4.33Å; V262-E264 PolarHBondContact O-N 2.83Å
263	N	98.6	Very high	97.9	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	12%	0.116	C	C	.	.	S	Bend	trans	59.6	32.9	174.9	-69.8	-43.9	0	0	0	116.7	R184 V187 A247 R248 H267	R184-N263 HydrophobicContact CG-CB 3.88Å; R184-N263 VanDerWaalsContact CG-CG 3.47Å; R184-N263 WeakPolarHBondContact CG-ND2 3.43Å; R184-N263 PolarHBondContact O-ND2 2.97Å; V187-N263 WeakPolarHBondContact CG1-OD1 3.43Å; A247-N263 VanDerWaalsContact O-CB 3.3Å; A247-N263 WeakPolarHBondContact O-CB 3.36Å; A247-N263 PolarHBondContact O-ND2 3.42Å; R248-N263 WeakPolarHBondContact CD-O 3.5Å; R248-N263 HydrophobicContact CG-CB 3.98Å; R248-N263 WeakPolarHBondContact CG-O 3.32Å; R248-N263 PolarHBondContact NE-O 3.49Å; N263-H267 PolarHBondContact N-O 3.25Å
264	E	95.4	Very high	97.8	Very high	14 Å²	14	24.8 Å²	24.8	7%	0.065	12%	0.12	C	C	.	.	S	Bend	trans	-84	-107.6	172.7	-166.3	-91.1	156.8	0	0	109.9	F227 V262 D266	F227-E264 HydrophobicContact CB-CG 4.08Å; F227-E264 HydrophobicContact CD1-CG 4.41Å; F227-E264 HydrophobicContact CD2-CB 3.82Å; F227-E264 HydrophobicContact CD2-CG 3.19Å; F227-E264 HydrophobicContact CE2-CB 3.67Å; F227-E264 HydrophobicContact CE2-CG 3.59Å; F227-E264 HydrophobicContact CG-CB 4.32Å; F227-E264 HydrophobicContact CG-CG 3.65Å; F227-E264 HydrophobicContact CZ-CB 4.06Å; F227-E264 HydrophobicContact CZ-CG 4.35Å; V262-E264 PolarHBondContact O-N 2.83Å; E264-D266 PolarHBondContact N-O 3.42Å
265	E	95.8	Very high	97.7	Very high	53 Å²	53	27.1 Å²	27.1	25%	0.248	12%	0.124	C	C	.	.	S	Bend	trans	-81.1	-19.8	176	-78.4	167.6	-163.2	0	0	113.6	L235 M240 R269 T315	L235-E265 HydrophobicContact CD1-CG 3.88Å; L235-E265 HydrophobicContact CD2-CG 3.82Å; M240-E265 HydrophobicContact CE-CB 3.82Å; M240-E265 HydrophobicContact CE-CG 4.07Å; M240-E265 WeakPolarHBondContact CE-O 3.5Å; E265-R269 IonicContact OE2-CZ 2.98Å; E265-R269 IonicContact OE2-NH2 3.28Å; E265-R269 PolarHBondContact OE2-NH2 3.48Å; E265-T315 PolarHBondContact O-OG1 3.15Å
266	D	98.6	Very high	97.7	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	10%	0.1	C	C	.	.	S	Bend	trans	-143.3	168.8	-179.8	-69.6	-67	0	0	0	107.9	E264 T268 R269 L314 T315	E264-D266 PolarHBondContact N-O 3.42Å; D266-T268 VanDerWaalsContact C-N 3.26Å; D266-T268 PolarHBondContact O-N 2.84Å; D266-R269 IonicContact OD2-CZ 3.41Å; D266-R269 IonicContact OD2-NE 3.65Å; D266-R269 PolarHBondContact OD2-NE 3.03Å; D266-R269 IonicContact OD2-NH2 2.74Å; D266-R269 PolarHBondContact OD2-NH2 3.39Å; D266-L314 HydrophobicContact CB-CD2 4.14Å; D266-T315 VanDerWaalsContact OD1-CB 3.28Å; D266-T315 WeakPolarHBondContact OD1-CB 3.2Å; D266-T315 PolarHBondContact OD1-N 3.01Å; D266-T315 PolarHBondContact OD1-OG1 2.87Å
267	H	98.9	Very high	97.7	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.009	9%	0.089	C	C	.	.	S	Bend	trans	-54.8	-46.3	177.6	-70	-179.5	0	0	0	111.2	I170 L173 S174 V187 N263	I170-H267 PolarHBondContact N-ND1 2.8Å; I170-H267 VanDerWaalsContact N-ND1 3.14Å; L173-H267 PolarHBondContact O-CE1 2.89Å; S174-H267 PolarHBondContact O-NE2 2.62Å; V187-H267 HydrophobicContact CG1-CB 3.61Å; V187-H267 HydrophobicContact CG2-CB 4.48Å; N263-H267 PolarHBondContact N-O 3.25Å
268	T	98.8	Very high	97.8	Very high	5 Å²	5	19.1 Å²	19.1	3%	0.031	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	143.4	172.5	65.1	0	0	0	0	112	G167 R168 T191 I260 W261 D266	G167-T268 CarbonylContact C-O 3.52Å; G167-T268 WeakPolarHBondContact CA-O 3.43Å; R168-T268 WeakPolarHBondContact CB-OG1 3.27Å; R168-T268 PolarHBondContact N-O 2.88Å; R168-T268 PolarHBondContact N-OG1 3.44Å; R168-T268 PolarHBondContact O-N 2.71Å; R168-T268 VanDerWaalsContact O-N 3.08Å; R168-T268 PolarHBondContact O-OG1 2.98Å; T191-T268 HydrophobicContact CG2-CG2 3.74Å; I260-T268 HydrophobicContact CG2-CG2 4.32Å; W261-T268 CarbonylContact O-C 3.5Å; W261-T268 VanDerWaalsContact O-CA 3.24Å; W261-T268 WeakPolarHBondContact O-CA 3.3Å; D266-T268 VanDerWaalsContact C-N 3.26Å; D266-T268 PolarHBondContact O-N 2.84Å
269	R	98.5	Very high	97.8	Very high	6 Å²	6	19.1 Å²	19.1	2%	0.023	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	109	162.4	-65.5	-70.8	-167.7	147.5	-0.4	108.8	T166 I260 W261 E265 D266 N319	T166-R269 CarbonylContact O-C 3.6Å; T166-R269 WeakPolarHBondContact O-CA 3.47Å; I260-R269 VanDerWaalsContact CA-O 3.29Å; I260-R269 WeakPolarHBondContact CA-O 3.16Å; W261-R269 HydrophobicContact CB-CB 4.11Å; W261-R269 HydrophobicContact CE3-CB 4.32Å; W261-R269 HydrophobicContact CE3-CG 4.37Å; W261-R269 PolarHBondContact N-O 3.15Å; W261-R269 PolarHBondContact O-N 3.48Å; E265-R269 IonicContact OE2-CZ 2.98Å; E265-R269 IonicContact OE2-NH2 3.28Å; E265-R269 PolarHBondContact OE2-NH2 3.48Å; D266-R269 IonicContact OD2-CZ 3.41Å; D266-R269 IonicContact OD2-NE 3.65Å; D266-R269 PolarHBondContact OD2-NE 3.03Å; D266-R269 IonicContact OD2-NH2 2.74Å; D266-R269 PolarHBondContact OD2-NH2 3.39Å; R269-N319 PolarHBondContact NH2-ND2 3.36Å
270	V	98.5	Very high	97.8	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	128.1	-179.8	-176.8	0	0	0	0	109.3	R165 T166 F258 I260 L290	R165-V270 CarbonylContact C-O 3.51Å; R165-V270 VanDerWaalsContact CA-O 3.22Å; R165-V270 WeakPolarHBondContact CA-O 3.45Å; T166-V270 HydrophobicContact CG2-CB 4.24Å; T166-V270 PolarHBondContact N-O 3.34Å; T166-V270 PolarHBondContact O-N 2.94Å; F258-V270 HydrophobicContact CE2-CG1 3.47Å; F258-V270 VanDerWaalsContact CE2-CG1 3.47Å; F258-V270 HydrophobicContact CZ-CG1 3.43Å; F258-V270 VanDerWaalsContact CZ-CG1 3.43Å; I260-V270 HydrophobicContact CD1-CG2 4.33Å; I260-V270 HydrophobicContact CG1-CB 4.46Å; I260-V270 HydrophobicContact CG1-CG1 4.25Å; I260-V270 HydrophobicContact CG1-CG2 4.18Å; V270-L290 HydrophobicContact CB-CD1 4.07Å; V270-L290 HydrophobicContact CG1-CD1 4.06Å; V270-L290 HydrophobicContact CG2-CD1 3.85Å
271	I	98.6	Very high	97.8	Very high	3 Å²	3	28 Å²	28	2%	0.015	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	129.4	-169.8	-59.8	160	0	0	0	109.1	R163 V164 R165 F258 L259 W261 M273	R163-I271 HydrophobicContact CG-CG2 4.13Å; V164-I271 CarbonylContact O-C 3.51Å; V164-I271 WeakPolarHBondContact O-CA 3.5Å; R165-I271 HydrophobicContact CB-CG1 3.89Å; F258-I271 CarbonylContact C-O 3.57Å; F258-I271 WeakPolarHBondContact CA-O 3.38Å; F258-I271 VanDerWaalsContact CD2-O 3.27Å; F258-I271 WeakPolarHBondContact CD2-O 3.44Å; L259-I271 HydrophobicContact CB-CB 4.25Å; L259-I271 HydrophobicContact CD1-CG2 4.32Å; L259-I271 PolarHBondContact N-O 3.25Å; L259-I271 PolarHBondContact O-N 3.4Å; W261-I271 HydrophobicContact CD2-CD1 4.03Å; W261-I271 HydrophobicContact CG-CD1 4.37Å; W261-I271 HydrophobicContact CZ2-CD1 4.25Å; I271-M273 HydrophobicContact CG2-CB 4.47Å; I271-M273 HydrophobicContact CG2-CG 4.27Å; I271-M273 HydrophobicContact CG2-SD 4.06Å
272	S	98.6	Very high	97.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.7	163.1	-176.4	0	0	0	0	108.2	R163 V164 T257 V282 R285	R163-S272 CarbonylContact C-O 3.58Å; R163-S272 WeakPolarHBondContact CA-O 3.48Å; V164-S272 PolarHBondContact N-O 2.88Å; V164-S272 PolarHBondContact O-N 2.95Å; T257-S272 WeakPolarHBondContact O-CA 3.08Å; S272-V282 WeakPolarHBondContact CB-O 3.21Å; S272-V282 VanDerWaalsContact O-CG1 3.31Å; S272-V282 WeakPolarHBondContact O-CG1 3.29Å; S272-V282 PolarHBondContact OG-O 3.39Å; S272-R285 PolarHBondContact OG-NE 3.32Å; S272-R285 VanDerWaalsContact OG-NE 3.13Å; S272-R285 PolarHBondContact OG-NH2 3.24Å
273	M	97.1	Very high	97.8	Very high	43 Å²	43	26.2 Å²	26.2	21%	0.212	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	156.5	179.2	60.8	-171.6	-74.4	0	0	112.3	S162 R163 F225 T257 L259 I271 R285	S162-M273 VanDerWaalsContact O-CA 3.31Å; S162-M273 WeakPolarHBondContact O-CA 3.26Å; R163-M273 HydrophobicContact CB-CB 3.9Å; R163-M273 HydrophobicContact CG-CB 3.95Å; F225-M273 HydrophobicContact CD1-SD 4.33Å; F225-M273 HydrophobicContact CE1-CE 4.02Å; F225-M273 HydrophobicContact CE1-SD 4Å; T257-M273 VanDerWaalsContact CA-O 3.31Å; T257-M273 WeakPolarHBondContact CA-O 3.45Å; T257-M273 PolarHBondContact O-N 2.75Å; L259-M273 HydrophobicContact CD1-CG 3.78Å; L259-M273 HydrophobicContact CD1-SD 3.9Å; I271-M273 HydrophobicContact CG2-CB 4.47Å; I271-M273 HydrophobicContact CG2-CG 4.27Å; I271-M273 HydrophobicContact CG2-SD 4.06Å; M273-R285 PolarHBondContact O-NH2 3.08Å
274	E	95.6	Very high	97.8	Very high	20 Å²	20	29.5 Å²	29.5	9%	0.093	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	162.9	169.8	65.9	-159.8	-133.5	0	0	111.1	S161 S162 N278 R281 V282 R285	S161-E274 WeakPolarHBondContact CA-O 3.46Å; S161-E274 WeakPolarHBondContact CB-O 3.34Å; S162-E274 PolarHBondContact N-O 2.97Å; S162-E274 PolarHBondContact O-N 3.21Å; E274-N278 WeakPolarHBondContact OE1-CB 3.36Å; E274-R281 IonicContact OE1-CZ 3.19Å; E274-R281 IonicContact OE1-NE 2.85Å; E274-R281 PolarHBondContact OE1-NE 2.83Å; E274-R281 IonicContact OE1-NH2 2.7Å; E274-R281 PolarHBondContact OE1-NH2 2.73Å; E274-R281 IonicContact OE2-NE 3.45Å; E274-R281 PolarHBondContact OE2-NE 3.3Å; E274-V282 HydrophobicContact CB-CG2 4.39Å; E274-V282 HydrophobicContact CG-CG2 3.38Å; E274-V282 WeakPolarHBondContact OE2-CG2 3.34Å; E274-R285 IonicContact OE2-CZ 3.36Å; E274-R285 IonicContact OE2-NH1 2.88Å; E274-R285 PolarHBondContact OE2-NH1 3.32Å; E274-R285 IonicContact OE2-NH2 2.85Å; E274-R285 PolarHBondContact OE2-NH2 2.83Å
275	K	95.4	Very high	98	Very high	170 Å²	170	29.5 Å²	29.5	74%	0.739	13%	0.132	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	152.4	167.6	-63.3	-63.6	-173	-179.6	0	109.9
276	G	96.4	Very high	98.1	Very high	9 Å²	9	27 Å²	27	9%	0.093	12%	0.121	C	C	.	.	S	Bend	trans	83.1	-165.3	-179.2	0	0	0	0	0	114.5	E156 L160 S161 S162	E156-G276 VanDerWaalsContact OE1-CA 3.29Å; E156-G276 WeakPolarHBondContact OE1-CA 3.49Å; L160-G276 PolarHBondContact O-N 3.44Å; S161-G276 CarbonylContact C-O 3.59Å; S161-G276 WeakPolarHBondContact CA-O 3.14Å; S162-G276 PolarHBondContact N-O 2.95Å; S162-G276 PolarHBondContact OG-O 2.8Å
277	G	97.2	Very high	98.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-105.4	3.4	-162.1	0	0	0	0	0	116.1	F154 E156 M279	F154-G277 WeakPolarHBondContact CD2-O 3.46Å; F154-G277 PolarHBondContact N-O 2.94Å; E156-G277 PolarHBondContact OE1-N 3.07Å; G277-M279 VanDerWaalsContact C-N 3.29Å; G277-M279 PolarHBondContact O-N 2.83Å
278	N	98.5	Very high	98.1	Very high	28 Å²	28	32.2 Å²	32.2	15%	0.15	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-83	67.7	-172.3	-166	-13.6	0	0	0	113.1	G152 M153 E274 K280 R281 V282	G152-N278 CarbonylContact O-C 3.5Å; M153-N278 HydrophobicContact CE-CB 3.8Å; M153-N278 HydrophobicContact SD-CB 3.76Å; E274-N278 WeakPolarHBondContact OE1-CB 3.36Å; N278-K280 PolarHBondContact O-N 3.11Å; N278-R281 HydrophobicContact CB-CB 4.34Å; N278-R281 PolarHBondContact O-N 3.18Å; N278-R281 WeakPolarHBondContact OD1-CB 3.48Å; N278-R281 PolarHBondContact OD1-N 3.31Å; N278-V282 WeakPolarHBondContact O-CG2 3.43Å; N278-V282 PolarHBondContact O-N 3.07Å; N278-V282 VanDerWaalsContact O-N 3.15Å
279	M	98.6	Very high	98.1	Very high	0 Å²	0	32 Å²	32	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-56	-34.3	176.4	-177.5	58.6	68.4	0	0	113.1	G152 F154 V164 G277 V282 F283 G327 V328 V383 L386 V387	G152-M279 PolarHBondContact O-N 2.98Å; F154-M279 HydrophobicContact CD2-CB 4.25Å; F154-M279 HydrophobicContact CE2-CB 3.52Å; F154-M279 HydrophobicContact CE2-CE 4.06Å; F154-M279 HydrophobicContact CE2-CG 4.17Å; F154-M279 HydrophobicContact CZ-CB 3.99Å; F154-M279 HydrophobicContact CZ-CG 4.37Å; V164-M279 HydrophobicContact CG2-SD 3.64Å; G277-M279 VanDerWaalsContact C-N 3.29Å; G277-M279 PolarHBondContact O-N 2.83Å; M279-V282 PolarHBondContact O-N 3.06Å; M279-F283 WeakPolarHBondContact O-CB 3.23Å; M279-F283 PolarHBondContact O-N 3Å; M279-G327 WeakPolarHBondContact CE-O 3.49Å; M279-V328 HydrophobicContact CE-CG1 3.82Å; M279-V383 HydrophobicContact CG-CG1 4.15Å; M279-L386 HydrophobicContact CE-CD2 3.66Å; M279-L386 HydrophobicContact SD-CD2 4.44Å; M279-V387 HydrophobicContact CB-CG2 4.41Å; M279-V387 HydrophobicContact CG-CG2 4.01Å
280	K	98.5	Very high	98.1	Very high	66 Å²	66	31.7 Å²	31.7	29%	0.287	14%	0.138	S	C	.	.	H	α-helix	trans	-60	-50.8	177.4	-179.7	166.1	-179	153.5	0	111.2	I149 G152 N278 V282 F283 E284	I149-K280 HydrophobicContact CG2-CB 4.35Å; I149-K280 HydrophobicContact CG2-CG 4.44Å; I149-K280 PolarHBondContact O-NZ 2.78Å; G152-K280 PolarHBondContact O-N 3.48Å; N278-K280 PolarHBondContact O-N 3.11Å; K280-V282 VanDerWaalsContact C-N 3.34Å; K280-V282 PolarHBondContact O-N 2.94Å; K280-F283 PolarHBondContact O-N 3.48Å; K280-F283 VanDerWaalsContact O-N 3.16Å; K280-E284 WeakPolarHBondContact CE-OE1 3.31Å; K280-E284 HydrophobicContact CG-CG 4.4Å; K280-E284 WeakPolarHBondContact O-CG 3.36Å; K280-E284 PolarHBondContact O-N 3.39Å
281	R	98.6	Very high	98.1	Very high	125 Å²	125	36.5 Å²	36.5	47%	0.472	16%	0.16	S	C	.	.	H	α-helix	trans	-63.3	-39.7	177.7	-177.2	172.9	62	-169.9	-2.5	112.2	E274 N278 F283 E284 R285	E274-R281 IonicContact OE1-CZ 3.19Å; E274-R281 IonicContact OE1-NE 2.85Å; E274-R281 PolarHBondContact OE1-NE 2.83Å; E274-R281 IonicContact OE1-NH2 2.7Å; E274-R281 PolarHBondContact OE1-NH2 2.73Å; E274-R281 IonicContact OE2-NE 3.45Å; E274-R281 PolarHBondContact OE2-NE 3.3Å; N278-R281 HydrophobicContact CB-CB 4.34Å; N278-R281 PolarHBondContact O-N 3.18Å; N278-R281 WeakPolarHBondContact OD1-CB 3.48Å; N278-R281 PolarHBondContact OD1-N 3.31Å; R281-F283 VanDerWaalsContact C-N 3.3Å; R281-F283 PolarHBondContact O-N 3.04Å; R281-E284 PolarHBondContact O-N 3.36Å; R281-R285 WeakPolarHBondContact O-CB 3.43Å; R281-R285 PolarHBondContact O-N 2.89Å
282	V	98.8	Very high	98.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-56.9	-46.3	173.6	176.1	0	0	0	0	110.7	V164 S272 E274 N278 M279 K280 F286	V164-V282 HydrophobicContact CB-CG1 4.2Å; V164-V282 HydrophobicContact CG2-CG1 3.78Å; S272-V282 WeakPolarHBondContact CB-O 3.21Å; S272-V282 VanDerWaalsContact O-CG1 3.31Å; S272-V282 WeakPolarHBondContact O-CG1 3.29Å; S272-V282 PolarHBondContact OG-O 3.39Å; E274-V282 HydrophobicContact CB-CG2 4.39Å; E274-V282 HydrophobicContact CG-CG2 3.38Å; E274-V282 WeakPolarHBondContact OE2-CG2 3.34Å; N278-V282 WeakPolarHBondContact O-CG2 3.43Å; N278-V282 PolarHBondContact O-N 3.07Å; N278-V282 VanDerWaalsContact O-N 3.15Å; M279-V282 PolarHBondContact O-N 3.06Å; K280-V282 VanDerWaalsContact C-N 3.34Å; K280-V282 PolarHBondContact O-N 2.94Å; V282-F286 WeakPolarHBondContact O-CB 3.01Å; V282-F286 PolarHBondContact O-N 3.02Å
283	F	98.8	Very high	98.1	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-73.1	-36.2	-178.2	-170.5	-117.4	0	0	0	113.2	A146 I149 V164 M279 K280 R281 F286 C287 L324 E379 V380 V383	A146-F283 HydrophobicContact CB-CD1 3.74Å; A146-F283 HydrophobicContact CB-CE1 4.07Å; I149-F283 HydrophobicContact CD1-CD1 4.1Å; I149-F283 HydrophobicContact CD1-CE1 4.03Å; I149-F283 HydrophobicContact CG1-CD1 3.4Å; I149-F283 HydrophobicContact CG1-CE1 3.72Å; I149-F283 HydrophobicContact CG1-CG 4.39Å; V164-F283 HydrophobicContact CG1-CD2 4.25Å; V164-F283 HydrophobicContact CG2-CD2 4.37Å; M279-F283 WeakPolarHBondContact O-CB 3.23Å; M279-F283 PolarHBondContact O-N 3Å; K280-F283 PolarHBondContact O-N 3.48Å; K280-F283 VanDerWaalsContact O-N 3.16Å; R281-F283 VanDerWaalsContact C-N 3.3Å; R281-F283 PolarHBondContact O-N 3.04Å; F283-F286 HydrophobicContact CD2-CB 4.47Å; F283-F286 AromaticContact CD2-CD1 3.91Å; F283-F286 HydrophobicContact CD2-CD1 3.91Å; F283-F286 AromaticContact CE2-CD1 3.84Å; F283-F286 HydrophobicContact CE2-CD1 3.84Å; F283-F286 HydrophobicContact CE2-CE1 4.25Å; F283-F286 WeakPolarHBondContact O-CB 3.2Å; F283-F286 PolarHBondContact O-N 2.87Å; F283-C287 VanDerWaalsContact CE1-SG 3.59Å; F283-C287 VanDerWaalsContact CE2-SG 3.53Å; F283-C287 WeakPolarHBondContact CZ-SG 3.38Å; F283-C287 PolarHBondContact O-N 3.18Å; F283-C287 PolarHBondContact O-SG 3.02Å; F283-L324 HydrophobicContact CE2-CD1 4.15Å; F283-E379 HydrophobicContact CE2-CB 4.33Å; F283-E379 HydrophobicContact CZ-CB 4.09Å; F283-V380 HydrophobicContact CE1-CG2 3.94Å; F283-V380 HydrophobicContact CZ-CG2 4.23Å; F283-V383 HydrophobicContact CB-CG1 4.35Å; F283-V383 HydrophobicContact CD1-CG1 4.38Å; F283-V383 HydrophobicContact CD2-CB 4.46Å; F283-V383 HydrophobicContact CD2-CG1 4.39Å; F283-V383 HydrophobicContact CD2-CG2 3.62Å; F283-V383 HydrophobicContact CE2-CB 4.5Å; F283-V383 HydrophobicContact CE2-CG2 3.57Å; F283-V383 HydrophobicContact CG-CG1 4.12Å; F283-V383 HydrophobicContact CG-CG2 4.16Å; F283-V383 HydrophobicContact CZ-CG2 4.03Å
284	E	98.8	Very high	98.1	Very high	73 Å²	73	39.5 Å²	39.5	34%	0.341	17%	0.174	S	C	.	.	H	α-helix	trans	-60.2	-46.3	172.5	-74.6	169.6	172.1	0	0	111.5	A146 K280 R281 R288	A146-E284 HydrophobicContact CB-CB 4.29Å; A146-E284 HydrophobicContact CB-CG 3.78Å; K280-E284 WeakPolarHBondContact CE-OE1 3.31Å; K280-E284 HydrophobicContact CG-CG 4.4Å; K280-E284 WeakPolarHBondContact O-CG 3.36Å; K280-E284 PolarHBondContact O-N 3.39Å; R281-E284 PolarHBondContact O-N 3.36Å; E284-R288 WeakPolarHBondContact O-CB 3.37Å; E284-R288 PolarHBondContact O-N 3.08Å; E284-R288 VanDerWaalsContact O-N 3.09Å
285	R	98.8	Very high	98.3	Very high	14 Å²	14	43.5 Å²	43.5	5%	0.053	19%	0.192	C	C	.	.	H	α-helix	trans	-64	-41.3	174.1	-179.1	172.1	60.6	-102.6	3.4	111.6	L202 T257 S272 M273 E274 R281 G289	L202-R285 HydrophobicContact CD2-CG 4.17Å; T257-R285 PolarHBondContact O-NE 2.93Å; T257-R285 PolarHBondContact O-NH2 2.71Å; S272-R285 PolarHBondContact OG-NE 3.32Å; S272-R285 VanDerWaalsContact OG-NE 3.13Å; S272-R285 PolarHBondContact OG-NH2 3.24Å; M273-R285 PolarHBondContact O-NH2 3.08Å; E274-R285 IonicContact OE2-CZ 3.36Å; E274-R285 IonicContact OE2-NH1 2.88Å; E274-R285 PolarHBondContact OE2-NH1 3.32Å; E274-R285 IonicContact OE2-NH2 2.85Å; E274-R285 PolarHBondContact OE2-NH2 2.83Å; R281-R285 WeakPolarHBondContact O-CB 3.43Å; R281-R285 PolarHBondContact O-N 2.89Å; R285-G289 PolarHBondContact O-N 2.85Å
286	F	98.8	Very high	98.4	Very high	1 Å²	1	36.2 Å²	36.2	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-58.2	-52.7	177.3	175.9	-97.5	0	0	0	111.9	L144 V164 T166 V282 F283 G289 L290 L324	L144-F286 HydrophobicContact CD2-CE1 4.17Å; V164-F286 HydrophobicContact CB-CB 4.44Å; V164-F286 HydrophobicContact CB-CD2 4.12Å; V164-F286 HydrophobicContact CB-CG 4.19Å; V164-F286 HydrophobicContact CG1-CB 4.44Å; V164-F286 HydrophobicContact CG1-CD1 3.88Å; V164-F286 HydrophobicContact CG1-CD2 3.76Å; V164-F286 HydrophobicContact CG1-CE1 3.98Å; V164-F286 HydrophobicContact CG1-CE2 3.86Å; V164-F286 HydrophobicContact CG1-CG 3.75Å; V164-F286 HydrophobicContact CG1-CZ 3.97Å; T166-F286 HydrophobicContact CG2-CE2 3.81Å; T166-F286 HydrophobicContact CG2-CZ 3.45Å; T166-F286 VanDerWaalsContact CG2-CZ 3.45Å; V282-F286 WeakPolarHBondContact O-CB 3.01Å; V282-F286 PolarHBondContact O-N 3.02Å; F283-F286 HydrophobicContact CD2-CB 4.47Å; F283-F286 AromaticContact CD2-CD1 3.91Å; F283-F286 HydrophobicContact CD2-CD1 3.91Å; F283-F286 AromaticContact CE2-CD1 3.84Å; F283-F286 HydrophobicContact CE2-CD1 3.84Å; F283-F286 HydrophobicContact CE2-CE1 4.25Å; F283-F286 WeakPolarHBondContact O-CB 3.2Å; F283-F286 PolarHBondContact O-N 2.87Å; F286-G289 PolarHBondContact O-N 3.32Å; F286-L290 HydrophobicContact CE1-CD2 3.99Å; F286-L290 HydrophobicContact CZ-CD2 3.95Å; F286-L290 VanDerWaalsContact O-CB 3.25Å; F286-L290 WeakPolarHBondContact O-CB 3.02Å; F286-L290 PolarHBondContact O-N 3.36Å; F286-L324 HydrophobicContact CE1-CD1 4.13Å; F286-L324 HydrophobicContact CZ-CD1 4.44Å
287	C	98.8	Very high	98.5	Very high	4 Å²	4	35.9 Å²	35.9	3%	0.027	16%	0.157	C	C	.	.	H	α-helix	trans	-64.5	-46.9	-178.3	-63.3	0	0	0	0	111.3	L144 A146 F283 G289 L290 Q291	L144-C287 HydrophobicContact CB-CB 4.36Å; L144-C287 WeakPolarHBondContact O-CB 3.14Å; L144-C287 PolarHBondContact O-SG 3.28Å; L144-C287 VanDerWaalsContact O-SG 3.42Å; A146-C287 HydrophobicContact CB-CB 4.23Å; F283-C287 VanDerWaalsContact CE1-SG 3.59Å; F283-C287 VanDerWaalsContact CE2-SG 3.53Å; F283-C287 WeakPolarHBondContact CZ-SG 3.38Å; F283-C287 PolarHBondContact O-N 3.18Å; F283-C287 PolarHBondContact O-SG 3.02Å; C287-G289 PolarHBondContact O-N 2.83Å; C287-L290 PolarHBondContact O-N 2.86Å; C287-Q291 WeakPolarHBondContact O-CB 3.37Å; C287-Q291 VanDerWaalsContact O-CG 3.3Å; C287-Q291 WeakPolarHBondContact O-CG 3.35Å; C287-Q291 PolarHBondContact O-N 3.05Å
288	R	98.8	Very high	98.5	Very high	108 Å²	108	40.7 Å²	40.7	41%	0.408	18%	0.179	S	C	.	.	H	α-helix	trans	-58.8	-47.5	177.2	-179.6	174.2	63.1	-106.5	6.9	111.7	D201 L202 E284 Q292	D201-R288 IonicContact OD2-CZ 3.77Å; D201-R288 IonicContact OD2-NE 3.98Å; D201-R288 IonicContact OD2-NH2 2.76Å; D201-R288 PolarHBondContact OD2-NH2 3.11Å; L202-R288 HydrophobicContact CD1-CG 4.23Å; E284-R288 WeakPolarHBondContact O-CB 3.37Å; E284-R288 PolarHBondContact O-N 3.08Å; E284-R288 VanDerWaalsContact O-N 3.09Å; R288-Q292 WeakPolarHBondContact O-CB 3.2Å; R288-Q292 PolarHBondContact O-N 3.27Å
289	G	98.6	Very high	98.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.5	-46.6	178.9	0	0	0	0	0	112	R285 F286 C287 Q292 V293	R285-G289 PolarHBondContact O-N 2.85Å; F286-G289 PolarHBondContact O-N 3.32Å; C287-G289 PolarHBondContact O-N 2.83Å; G289-Q292 PolarHBondContact O-N 2.82Å; G289-V293 VanDerWaalsContact O-CG2 3.28Å; G289-V293 WeakPolarHBondContact O-CG2 3.28Å; G289-V293 PolarHBondContact O-N 3.31Å
290	L	98	Very high	98.3	Very high	0 Å²	0	51 Å²	51	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64	-45.6	-178.7	-167.4	63.4	0	0	0	112.5	L144 T166 R168 V270 F286 C287 Q292 V293 E294	L144-L290 HydrophobicContact CD1-CD2 4.02Å; L144-L290 HydrophobicContact CD2-CD2 4.22Å; T166-L290 HydrophobicContact CG2-CD1 4.22Å; T166-L290 HydrophobicContact CG2-CD2 4.06Å; R168-L290 HydrophobicContact CG-CD1 4.02Å; R168-L290 VanDerWaalsContact NH2-CD2 3.32Å; V270-L290 HydrophobicContact CB-CD1 4.07Å; V270-L290 HydrophobicContact CG1-CD1 4.06Å; V270-L290 HydrophobicContact CG2-CD1 3.85Å; F286-L290 HydrophobicContact CE1-CD2 3.99Å; F286-L290 HydrophobicContact CZ-CD2 3.95Å; F286-L290 VanDerWaalsContact O-CB 3.25Å; F286-L290 WeakPolarHBondContact O-CB 3.02Å; F286-L290 PolarHBondContact O-N 3.36Å; C287-L290 PolarHBondContact O-N 2.86Å; L290-Q292 VanDerWaalsContact C-N 3.32Å; L290-Q292 PolarHBondContact O-N 3.3Å; L290-V293 PolarHBondContact O-N 2.86Å; L290-E294 WeakPolarHBondContact O-CB 3.44Å; L290-E294 PolarHBondContact O-N 3.36Å
291	Q	98.5	Very high	98.2	Very high	101 Å²	101	51.2 Å²	51.2	47%	0.472	24%	0.242	S	C	.	.	H	α-helix	trans	-62.4	-39.1	176.1	-72.6	172.2	-28.1	0	0	112	C287 K295	C287-Q291 WeakPolarHBondContact O-CB 3.37Å; C287-Q291 VanDerWaalsContact O-CG 3.3Å; C287-Q291 WeakPolarHBondContact O-CG 3.35Å; C287-Q291 PolarHBondContact O-N 3.05Å; Q291-K295 WeakPolarHBondContact O-CB 3.41Å; Q291-K295 PolarHBondContact O-N 3.33Å
292	Q	98.6	Very high	98.2	Very high	67 Å²	67	48 Å²	48	31%	0.313	23%	0.23	S	C	.	.	H	α-helix	trans	-70.1	-39.1	178	-173.6	60.3	36.3	0	0	112.1	L198 R288 G289 L290 L296	L198-Q292 HydrophobicContact CD2-CB 4.03Å; L198-Q292 HydrophobicContact CD2-CG 3.5Å; L198-Q292 VanDerWaalsContact CD2-CG 3.5Å; R288-Q292 WeakPolarHBondContact O-CB 3.2Å; R288-Q292 PolarHBondContact O-N 3.27Å; G289-Q292 PolarHBondContact O-N 2.82Å; L290-Q292 VanDerWaalsContact C-N 3.32Å; L290-Q292 PolarHBondContact O-N 3.3Å; Q292-L296 HydrophobicContact CG-CD1 4.07Å; Q292-L296 WeakPolarHBondContact O-CD1 3.1Å; Q292-L296 VanDerWaalsContact O-CG 3.25Å; Q292-L296 WeakPolarHBondContact O-CG 3.14Å; Q292-L296 PolarHBondContact O-N 3.33Å; Q292-L296 VanDerWaalsContact O-N 3.1Å
293	V	98.4	Very high	98.2	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.03	25%	0.252	C	S	.	.	H	α-helix	trans	-62.9	-46.3	174	171.3	0	0	0	0	110.5	L195 L198 I260 G289 L290 K295 L296 I297 F304	L195-V293 HydrophobicContact CD2-CG1 4.31Å; L195-V293 HydrophobicContact CD2-CG2 3.7Å; L198-V293 HydrophobicContact CD1-CG2 4.11Å; L198-V293 HydrophobicContact CD2-CG2 4.21Å; I260-V293 HydrophobicContact CD1-CG2 4.05Å; G289-V293 VanDerWaalsContact O-CG2 3.28Å; G289-V293 WeakPolarHBondContact O-CG2 3.28Å; G289-V293 PolarHBondContact O-N 3.31Å; L290-V293 PolarHBondContact O-N 2.86Å; V293-K295 PolarHBondContact O-N 3.47Å; V293-L296 PolarHBondContact O-N 2.71Å; V293-I297 HydrophobicContact CG1-CD1 3.83Å; V293-I297 HydrophobicContact CG1-CG1 4.49Å; V293-I297 WeakPolarHBondContact O-CG1 3.39Å; V293-I297 PolarHBondContact O-N 2.8Å; V293-F304 HydrophobicContact CG1-CZ 4.42Å
294	E	98.1	Very high	98.2	Very high	38 Å²	38	53.2 Å²	53.2	18%	0.178	25%	0.254	C	S	.	.	H	α-helix	trans	-57.2	-49.7	177.2	-172.5	165	-162.6	0	0	111.8	L290 L296 I297 Q298 F304	L290-E294 WeakPolarHBondContact O-CB 3.44Å; L290-E294 PolarHBondContact O-N 3.36Å; E294-L296 VanDerWaalsContact C-N 3.32Å; E294-L296 PolarHBondContact O-N 3.5Å; E294-I297 PolarHBondContact O-N 3.41Å; E294-Q298 HydrophobicContact CG-CG 4.5Å; E294-Q298 WeakPolarHBondContact O-CG 3.41Å; E294-Q298 PolarHBondContact O-N 3.26Å; E294-F304 HydrophobicContact CB-CD2 4.22Å; E294-F304 HydrophobicContact CB-CE2 3.64Å; E294-F304 HydrophobicContact CG-CD2 3.75Å; E294-F304 HydrophobicContact CG-CE2 3.7Å
295	K	98.6	Very high	98.2	Very high	104 Å²	104	49.9 Å²	49.9	45%	0.452	24%	0.238	S	C	.	.	H	α-helix	trans	-54.8	-46.6	176.4	178	179.9	170.7	179.9	0	112.1	Q291 V293 I297 Q298 E299	Q291-K295 WeakPolarHBondContact O-CB 3.41Å; Q291-K295 PolarHBondContact O-N 3.33Å; V293-K295 PolarHBondContact O-N 3.47Å; K295-I297 VanDerWaalsContact C-N 3.31Å; K295-I297 PolarHBondContact O-N 3.44Å; K295-Q298 PolarHBondContact O-N 3.33Å; K295-E299 WeakPolarHBondContact CE-OE1 3.29Å; K295-E299 WeakPolarHBondContact O-CG 3.38Å; K295-E299 PolarHBondContact O-N 3.46Å
296	L	98.4	Very high	98.2	Very high	17 Å²	17	54 Å²	54	9%	0.089	25%	0.254	C	S	.	.	H	α-helix	trans	-69.8	-27.1	-178	-70.1	166.4	0	0	0	113.2	A194 L198 Q292 V293 E294	A194-L296 HydrophobicContact CB-CB 3.95Å; A194-L296 VanDerWaalsContact O-CD1 3.31Å; A194-L296 WeakPolarHBondContact O-CD1 2.96Å; L198-L296 HydrophobicContact CD2-CD1 3.86Å; L198-L296 HydrophobicContact CG-CD1 4.31Å; Q292-L296 HydrophobicContact CG-CD1 4.07Å; Q292-L296 WeakPolarHBondContact O-CD1 3.1Å; Q292-L296 VanDerWaalsContact O-CG 3.25Å; Q292-L296 WeakPolarHBondContact O-CG 3.14Å; Q292-L296 PolarHBondContact O-N 3.33Å; Q292-L296 VanDerWaalsContact O-N 3.1Å; V293-L296 PolarHBondContact O-N 2.71Å; E294-L296 VanDerWaalsContact C-N 3.32Å; E294-L296 PolarHBondContact O-N 3.5Å
297	I	97.7	Very high	98.2	Very high	2 Å²	2	56 Å²	56	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-73.5	-45	172	-72.3	174.8	0	0	0	109.8	A194 V293 E294 K295 E299 R300 W302 F304	A194-I297 HydrophobicContact CB-CD1 4.45Å; A194-I297 HydrophobicContact CB-CG1 3.58Å; V293-I297 HydrophobicContact CG1-CD1 3.83Å; V293-I297 HydrophobicContact CG1-CG1 4.49Å; V293-I297 WeakPolarHBondContact O-CG1 3.39Å; V293-I297 PolarHBondContact O-N 2.8Å; E294-I297 PolarHBondContact O-N 3.41Å; K295-I297 VanDerWaalsContact C-N 3.31Å; K295-I297 PolarHBondContact O-N 3.44Å; I297-E299 PolarHBondContact O-N 2.9Å; I297-R300 PolarHBondContact O-N 3.16Å; I297-R300 VanDerWaalsContact O-N 3.1Å; I297-W302 HydrophobicContact CG2-CB 3.46Å; I297-W302 VanDerWaalsContact CG2-CB 3.46Å; I297-W302 PolarHBondContact O-N 2.74Å; I297-F304 HydrophobicContact CD1-CE1 3.56Å; I297-F304 HydrophobicContact CD1-CZ 3.6Å
298	Q	97.9	Very high	98.2	Very high	100 Å²	100	60.4 Å²	60.4	47%	0.467	29%	0.285	S	S	.	.	H	α-helix	trans	-62.8	-40.1	177.3	-72.8	174.9	-7.6	0	0	113.3	E294 K295 R300 G301 W302	E294-Q298 HydrophobicContact CG-CG 4.5Å; E294-Q298 WeakPolarHBondContact O-CG 3.41Å; E294-Q298 PolarHBondContact O-N 3.26Å; K295-Q298 PolarHBondContact O-N 3.33Å; Q298-R300 PolarHBondContact O-N 2.77Å; Q298-G301 PolarHBondContact O-N 3.33Å; Q298-W302 VanDerWaalsContact CA-O 3.27Å; Q298-W302 WeakPolarHBondContact CA-O 3.4Å; Q298-W302 PolarHBondContact N-O 2.67Å
299	E	97.4	Very high	98.1	Very high	125 Å²	125	58.2 Å²	58.2	58%	0.584	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-19.2	174.5	-78	173.8	-173.6	0	0	113	K295 I297	K295-E299 WeakPolarHBondContact CE-OE1 3.29Å; K295-E299 WeakPolarHBondContact O-CG 3.38Å; K295-E299 PolarHBondContact O-N 3.46Å; I297-E299 PolarHBondContact O-N 2.9Å
300	R	94.6	Very high	98.2	Very high	120 Å²	120	58.2 Å²	58.2	45%	0.453	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	8.9	177.9	-61.1	177.2	-176.2	-108	-0.3	113.4	Q193 I297 Q298	Q193-R300 PolarHBondContact O-NH2 3Å; I297-R300 PolarHBondContact O-N 3.16Å; I297-R300 VanDerWaalsContact O-N 3.1Å; Q298-R300 PolarHBondContact O-N 2.77Å
301	G	97.9	Very high	98.2	Very high	70 Å²	70	58.2 Å²	58.2	72%	0.722	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	16.3	177.1	0	0	0	0	0	115	Q298	Q298-G301 PolarHBondContact O-N 3.33Å
302	W	98.6	Very high	98.2	Very high	57 Å²	57	54 Å²	54	22%	0.216	26%	0.257	C	S	.	.			trans	-106.1	153.1	176.7	-66.3	91.7	0	0	0	111.2	I170 L173 E186 V190 I297 Q298	I170-W302 HydrophobicContact CG2-CB 4.35Å; I170-W302 HydrophobicContact CG2-CD2 4.05Å; I170-W302 HydrophobicContact CG2-CE3 3.41Å; I170-W302 VanDerWaalsContact CG2-CE3 3.41Å; I170-W302 HydrophobicContact CG2-CG 4.46Å; I170-W302 HydrophobicContact CG2-CZ3 4.05Å; L173-W302 HydrophobicContact CD1-CH2 4.17Å; L173-W302 HydrophobicContact CD1-CZ3 3.91Å; L173-W302 HydrophobicContact CD2-CH2 4.41Å; L173-W302 HydrophobicContact CD2-CZ3 4.45Å; L173-W302 HydrophobicContact CG-CH2 4.34Å; L173-W302 HydrophobicContact CG-CZ3 3.96Å; E186-W302 HydrophobicContact CG-CH2 4.07Å; E186-W302 HydrophobicContact CG-CZ2 4.2Å; E186-W302 WeakPolarHBondContact OE1-CZ2 3.43Å; V190-W302 HydrophobicContact CG1-CB 4.33Å; V190-W302 HydrophobicContact CG1-CD2 4.27Å; V190-W302 HydrophobicContact CG1-CG 3.85Å; V190-W302 HydrophobicContact CG2-CD2 4.07Å; V190-W302 VanDerWaalsContact CG2-CE2 3.49Å; V190-W302 HydrophobicContact CG2-CG 4.36Å; V190-W302 HydrophobicContact CG2-CZ2 3.78Å; I297-W302 HydrophobicContact CG2-CB 3.46Å; I297-W302 VanDerWaalsContact CG2-CB 3.46Å; I297-W302 PolarHBondContact O-N 2.74Å; Q298-W302 VanDerWaalsContact CA-O 3.27Å; Q298-W302 WeakPolarHBondContact CA-O 3.4Å; Q298-W302 PolarHBondContact N-O 2.67Å
303	E	98.4	Very high	98.2	Very high	102 Å²	102	50.9 Å²	50.9	48%	0.477	24%	0.242	S	C	.	.			trans	-125.2	161	177	-60.8	-173.5	129.3	0	0	110.7	R171	R171-E303 HydrophobicContact CB-CB 4.26Å; R171-E303 WeakPolarHBondContact CB-O 3.35Å; R171-E303 IonicContact CZ-OE2 3.4Å; R171-E303 PolarHBondContact N-O 2.84Å; R171-E303 IonicContact NH1-OE2 2.71Å; R171-E303 PolarHBondContact NH1-OE2 2.89Å
304	F	98.8	Very high	98.2	Very high	10 Å²	10	50.6 Å²	50.6	4%	0.044	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-83.7	144.9	163.2	-68	-42.8	0	0	0	111.1	R168 S169 V293 E294 I297 W306 Y312	R168-F304 HydrophobicContact CB-CD1 3.71Å; R168-F304 HydrophobicContact CB-CD2 4.4Å; R168-F304 HydrophobicContact CB-CE1 3.51Å; R168-F304 HydrophobicContact CB-CE2 4.2Å; R168-F304 HydrophobicContact CB-CG 4.16Å; R168-F304 HydrophobicContact CB-CZ 3.77Å; R168-F304 HydrophobicContact CG-CD1 4.34Å; R168-F304 HydrophobicContact CG-CD2 4.15Å; R168-F304 HydrophobicContact CG-CE1 4.09Å; R168-F304 HydrophobicContact CG-CE2 3.86Å; R168-F304 HydrophobicContact CG-CG 4.37Å; R168-F304 HydrophobicContact CG-CZ 3.83Å; S169-F304 CarbonylContact O-C 3.59Å; S169-F304 VanDerWaalsContact O-CA 3.26Å; S169-F304 WeakPolarHBondContact O-CA 3.24Å; V293-F304 HydrophobicContact CG1-CZ 4.42Å; E294-F304 HydrophobicContact CB-CD2 4.22Å; E294-F304 HydrophobicContact CB-CE2 3.64Å; E294-F304 HydrophobicContact CG-CD2 3.75Å; E294-F304 HydrophobicContact CG-CE2 3.7Å; I297-F304 HydrophobicContact CD1-CE1 3.56Å; I297-F304 HydrophobicContact CD1-CZ 3.6Å; F304-W306 PolarHBondContact O-N 2.95Å; F304-W306 VanDerWaalsContact O-N 3.13Å; F304-Y312 HydrophobicContact CB-CD1 4.3Å; F304-Y312 HydrophobicContact CB-CE1 4.13Å; F304-Y312 HydrophobicContact CD2-CE1 4.26Å
305	M	98.9	Very high	98.3	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	23%	0.233	C	C	.	.			trans	-65.5	110	169.6	-59.3	179.8	175.9	0	0	109.1	E112 S169 I170 R171 L173 L175 I313	E112-M305 HydrophobicContact CB-CE 4.13Å; E112-M305 HydrophobicContact CB-CG 4.3Å; E112-M305 HydrophobicContact CB-SD 3.83Å; E112-M305 HydrophobicContact CG-CB 4.24Å; E112-M305 HydrophobicContact CG-CG 4.24Å; E112-M305 HydrophobicContact CG-SD 4.25Å; S169-M305 VanDerWaalsContact CB-SD 3.54Å; S169-M305 PolarHBondContact O-N 3.35Å; I170-M305 WeakPolarHBondContact O-CE 3.36Å; R171-M305 HydrophobicContact CB-CG 4.04Å; L173-M305 WeakPolarHBondContact O-CE 3.36Å; L175-M305 HydrophobicContact CD2-CE 4.12Å; L175-M305 HydrophobicContact CD2-SD 3.88Å; L175-M305 HydrophobicContact CG-CE 4.49Å; L175-M305 HydrophobicContact CG-SD 4.47Å; M305-I313 HydrophobicContact CB-CB 3.73Å; M305-I313 HydrophobicContact CB-CG1 4.31Å; M305-I313 HydrophobicContact CB-CG2 4.4Å; M305-I313 PolarHBondContact O-N 3Å; M305-I313 HydrophobicContact SD-CG2 4.24Å
306	W	98.8	Very high	98.3	Very high	102 Å²	102	45.4 Å²	45.4	39%	0.386	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	141.7	179.9	-179.9	98.6	0	0	0	110.3	R171 F304 E308 G311 Y312	R171-W306 PolarHBondContact NH2-O 2.81Å; F304-W306 PolarHBondContact O-N 2.95Å; F304-W306 VanDerWaalsContact O-N 3.13Å; W306-E308 HydrophobicContact CH2-CB 4.26Å; W306-G311 WeakPolarHBondContact CA-O 3.47Å; W306-Y312 HydrophobicContact CB-CD1 4.12Å; W306-Y312 HydrophobicContact CB-CE1 4.32Å; W306-Y312 AromaticContact CD1-CD1 3.84Å; W306-Y312 AromaticContact CD1-CD2 3.83Å; W306-Y312 AromaticContact CD1-CE1 3.95Å; W306-Y312 AromaticContact CD1-CE2 3.9Å; W306-Y312 AromaticContact CD1-CG 3.81Å; W306-Y312 AromaticContact CD1-CZ 3.98Å; W306-Y312 HydrophobicContact CG-CD1 4.39Å; W306-Y312 HydrophobicContact CG-CE1 4.45Å
307	N	98.6	Very high	98.3	Very high	41 Å²	41	44.6 Å²	44.6	22%	0.219	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	163.3	167.3	64.7	54.3	0	0	0	111.5	R309 L310 G311	N307-R309 VanDerWaalsContact C-N 3.32Å; N307-R309 PolarHBondContact O-N 3.28Å; N307-R309 WeakPolarHBondContact OD1-CG 3.48Å; N307-R309 PolarHBondContact OD1-N 3.44Å; N307-L310 PolarHBondContact O-N 3.05Å; N307-L310 WeakPolarHBondContact OD1-CB 3.25Å; N307-L310 PolarHBondContact OD1-N 2.93Å; N307-G311 PolarHBondContact N-O 2.74Å; N307-G311 VanDerWaalsContact O-CA 3.26Å; N307-G311 WeakPolarHBondContact O-CA 3.49Å; N307-G311 PolarHBondContact O-N 3.45Å
308	E	98.2	Very high	98.2	Very high	97 Å²	97	45.4 Å²	45.4	45%	0.453	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-30.9	-171.7	-168.2	-178.1	-158.3	0	0	113.7	K139 H140 W306	K139-E308 HydrophobicContact CB-CG 4.19Å; K139-E308 VanDerWaalsContact CD-CD 3.45Å; K139-E308 HydrophobicContact CD-CG 3.93Å; K139-E308 VanDerWaalsContact CD-OE1 3.23Å; K139-E308 WeakPolarHBondContact CD-OE1 3.24Å; K139-E308 VanDerWaalsContact CE-OE1 3.27Å; K139-E308 WeakPolarHBondContact CE-OE1 3.48Å; K139-E308 WeakPolarHBondContact CE-OE2 3.37Å; K139-E308 HydrophobicContact CG-CG 3.99Å; K139-E308 IonicContact NZ-OE1 2.73Å; K139-E308 PolarHBondContact NZ-OE1 2.94Å; K139-E308 IonicContact NZ-OE2 3.65Å; K139-E308 PolarHBondContact NZ-OE2 2.85Å; H140-E308 PolarHBondContact N-O 3.4Å; W306-E308 HydrophobicContact CH2-CB 4.26Å
309	R	98.1	Very high	98.2	Very high	62 Å²	62	41.4 Å²	41.4	23%	0.234	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-32	-176.3	82.2	-174.4	171.9	95.9	-3	112.8	Y115 D123 Y133 N307	Y115-R309 PolarHBondContact O-NH2 3.22Å; D123-R309 IonicContact OD1-NH1 2.89Å; D123-R309 PolarHBondContact OD1-NH1 3.49Å; Y133-R309 WeakPolarHBondContact CE1-O 3.3Å; Y133-R309 PolarHBondContact OH-O 3.02Å; N307-R309 VanDerWaalsContact C-N 3.32Å; N307-R309 PolarHBondContact O-N 3.28Å; N307-R309 WeakPolarHBondContact OD1-CG 3.48Å; N307-R309 PolarHBondContact OD1-N 3.44Å
310	L	98.7	Very high	98.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-7.6	-175.2	-60.6	-170.1	0	0	0	113.8	Y115 I126 P135 N307 I313 L320 G321 L375	Y115-L310 HydrophobicContact CD1-CD1 3.78Å; Y115-L310 HydrophobicContact CG-CD1 3.79Å; I126-L310 HydrophobicContact CD1-CD1 4.5Å; I126-L310 HydrophobicContact CD1-CD2 3.98Å; P135-L310 HydrophobicContact CB-CD2 3.58Å; P135-L310 HydrophobicContact CG-CD2 4.47Å; N307-L310 PolarHBondContact O-N 3.05Å; N307-L310 WeakPolarHBondContact OD1-CB 3.25Å; N307-L310 PolarHBondContact OD1-N 2.93Å; L310-I313 HydrophobicContact CB-CD1 3.54Å; L310-I313 HydrophobicContact CD1-CD1 3.54Å; L310-I313 HydrophobicContact CG-CD1 4.12Å; L310-L320 HydrophobicContact CB-CD2 4.41Å; L310-L320 HydrophobicContact CD1-CD1 4.18Å; L310-L320 HydrophobicContact CD1-CD2 4.43Å; L310-L320 HydrophobicContact CD2-CD1 4.23Å; L310-G321 WeakPolarHBondContact O-CA 3.39Å; L310-G321 PolarHBondContact O-N 3.31Å; L310-L375 WeakPolarHBondContact O-CD1 3.17Å
311	G	98.7	Very high	98.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	65.2	-140.4	-169.9	0	0	0	0	0	111.6	W306 N307	W306-G311 WeakPolarHBondContact CA-O 3.47Å; N307-G311 PolarHBondContact N-O 2.74Å; N307-G311 VanDerWaalsContact O-CA 3.26Å; N307-G311 WeakPolarHBondContact O-CA 3.49Å; N307-G311 PolarHBondContact O-N 3.45Å
312	Y	98.8	Very high	98.5	Very high	14 Å²	14	26.4 Å²	26.4	6%	0.055	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	131.4	175	-68.7	-80.2	0	0	0	110.9	T142 R168 F304 W306 G321	T142-Y312 HydrophobicContact CG2-CE2 4.07Å; R168-Y312 VanDerWaalsContact CD-CD1 3.43Å; R168-Y312 VanDerWaalsContact CZ-CD2 3.45Å; R168-Y312 VanDerWaalsContact CZ-CE2 3.47Å; R168-Y312 VanDerWaalsContact NE-CE1 3.28Å; R168-Y312 VanDerWaalsContact NH2-CZ 3.34Å; F304-Y312 HydrophobicContact CB-CD1 4.3Å; F304-Y312 HydrophobicContact CB-CE1 4.13Å; F304-Y312 HydrophobicContact CD2-CE1 4.26Å; W306-Y312 HydrophobicContact CB-CD1 4.12Å; W306-Y312 HydrophobicContact CB-CE1 4.32Å; W306-Y312 AromaticContact CD1-CD1 3.84Å; W306-Y312 AromaticContact CD1-CD2 3.83Å; W306-Y312 AromaticContact CD1-CE1 3.95Å; W306-Y312 AromaticContact CD1-CE2 3.9Å; W306-Y312 AromaticContact CD1-CG 3.81Å; W306-Y312 AromaticContact CD1-CZ 3.98Å; W306-Y312 HydrophobicContact CG-CD1 4.39Å; W306-Y312 HydrophobicContact CG-CE1 4.45Å; Y312-G321 WeakPolarHBondContact CB-O 3.34Å; Y312-G321 PolarHBondContact N-O 2.93Å; Y312-G321 PolarHBondContact O-N 2.86Å
313	I	98.9	Very high	98.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.111	C	C	.	.			trans	-88	131.7	179.3	-60.2	-60.4	0	0	0	109.8	E112 Y115 S169 M305 L310 L320	E112-I313 HydrophobicContact CG-CG1 4.46Å; Y115-I313 HydrophobicContact CD2-CD1 4.2Å; Y115-I313 HydrophobicContact CD2-CG2 3.71Å; Y115-I313 HydrophobicContact CE2-CG2 3.54Å; S169-I313 WeakPolarHBondContact CB-O 3.43Å; S169-I313 PolarHBondContact OG-O 3.13Å; M305-I313 HydrophobicContact CB-CB 3.73Å; M305-I313 HydrophobicContact CB-CG1 4.31Å; M305-I313 HydrophobicContact CB-CG2 4.4Å; M305-I313 PolarHBondContact O-N 3Å; M305-I313 HydrophobicContact SD-CG2 4.24Å; L310-I313 HydrophobicContact CB-CD1 3.54Å; L310-I313 HydrophobicContact CD1-CD1 3.54Å; L310-I313 HydrophobicContact CG-CD1 4.12Å; I313-L320 HydrophobicContact CD1-CD2 3.84Å
314	L	98.9	Very high	98.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.088	C	C	.	.			trans	-136.2	170	176	-67.6	179.1	0	0	0	110.2	Y115 G167 D266 C316 N319	Y115-L314 WeakPolarHBondContact CE2-O 3.28Å; Y115-L314 PolarHBondContact OH-O 3.23Å; G167-L314 VanDerWaalsContact C-CD2 3.5Å; D266-L314 HydrophobicContact CB-CD2 4.14Å; L314-C316 PolarHBondContact O-N 3.25Å; L314-N319 HydrophobicContact CB-CB 4.16Å; L314-N319 HydrophobicContact CD1-CB 3.76Å; L314-N319 WeakPolarHBondContact CD1-O 3.43Å
315	T	98.8	Very high	98.4	Very high	2 Å²	2	19 Å²	19	1%	0.012	9%	0.088	C	C	.	.	S	Bend	trans	-60.7	-47.5	-173.6	-50	0	0	0	0	112.8	V108 A109 P176 P177 M240 E265 D266	V108-T315 WeakPolarHBondContact CA-O 3.45Å; V108-T315 HydrophobicContact CB-CG2 4.14Å; V108-T315 HydrophobicContact CG1-CG2 4.32Å; A109-T315 PolarHBondContact N-O 2.76Å; P176-T315 WeakPolarHBondContact CD-OG1 3.45Å; P177-T315 HydrophobicContact CG-CG2 3.37Å; M240-T315 HydrophobicContact CE-CG2 4.19Å; M240-T315 HydrophobicContact SD-CG2 4.22Å; E265-T315 PolarHBondContact O-OG1 3.15Å; D266-T315 VanDerWaalsContact OD1-CB 3.28Å; D266-T315 WeakPolarHBondContact OD1-CB 3.2Å; D266-T315 PolarHBondContact OD1-N 3.01Å; D266-T315 PolarHBondContact OD1-OG1 2.87Å
316	C	98.4	Very high	98.4	Very high	31 Å²	31	18.9 Å²	18.9	21%	0.209	9%	0.088	C	C	.	.	S	Bend	trans	-94.2	130	-179.3	-173.4	0	0	0	0	110.4	L314 S318 N319	L314-C316 PolarHBondContact O-N 3.25Å; C316-S318 PolarHBondContact O-N 2.85Å; C316-S318 PolarHBondContact SG-OG 3.12Å; C316-N319 PolarHBondContact O-N 3.3Å
317	P	98.5	Very high	98.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-54.6	-26.7	175.8	-29.1	35.3	0	0	0	114	V105 M107 Y115 F122 I126 H130 N319 L320	V105-P317 HydrophobicContact CG1-CB 3.99Å; V105-P317 HydrophobicContact CG1-CG 3.87Å; M107-P317 HydrophobicContact CG-CG 4.29Å; M107-P317 VanDerWaalsContact O-CD 3.3Å; M107-P317 WeakPolarHBondContact O-CD 3.35Å; Y115-P317 HydrophobicContact CE1-CB 4.48Å; Y115-P317 HydrophobicContact CE1-CG 4.2Å; F122-P317 HydrophobicContact CD1-CG 3.8Å; F122-P317 HydrophobicContact CE1-CG 3.69Å; I126-P317 HydrophobicContact CG1-CB 4.16Å; H130-P317 PolarHBondContact NE2-O 3.3Å; P317-N319 PolarHBondContact O-N 2.9Å; P317-L320 HydrophobicContact CB-CD1 4.45Å; P317-L320 WeakPolarHBondContact O-CG 3.37Å; P317-L320 PolarHBondContact O-N 3.45Å
318	S	96.6	Very high	98.2	Very high	18 Å²	18	12.4 Å²	12.4	13%	0.126	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-65.4	-20.8	176.7	69.8	0	0	0	0	113.8	H130 C316 R374	H130-S318 PolarHBondContact CE1-O 2.89Å; H130-S318 VanDerWaalsContact CE1-O 3.25Å; C316-S318 PolarHBondContact O-N 2.85Å; C316-S318 PolarHBondContact SG-OG 3.12Å; S318-R374 WeakPolarHBondContact O-CD 2.87Å
319	N	98.1	Very high	98.1	Very high	17 Å²	17	10.6 Å²	10.6	9%	0.091	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-102.6	9.6	-177.8	-64.8	-38.9	0	0	0	113.3	R269 L314 C316 P317 G323	R269-N319 PolarHBondContact NH2-ND2 3.36Å; L314-N319 HydrophobicContact CB-CB 4.16Å; L314-N319 HydrophobicContact CD1-CB 3.76Å; L314-N319 WeakPolarHBondContact CD1-O 3.43Å; C316-N319 PolarHBondContact O-N 3.3Å; P317-N319 PolarHBondContact O-N 2.9Å; N319-G323 WeakPolarHBondContact O-CA 3.24Å; N319-G323 PolarHBondContact O-N 3.34Å
320	L	98.7	Very high	98	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.042	C	C	.	.			trans	-62.1	166.9	173.6	-67.5	174.3	0	0	0	112.7	Y115 I126 L310 I313 P317 T322 R374 L375	Y115-L320 HydrophobicContact CD1-CD1 4.34Å; Y115-L320 HydrophobicContact CE1-CD1 3.71Å; Y115-L320 HydrophobicContact CE1-CD2 4.08Å; Y115-L320 HydrophobicContact CE1-CG 4.3Å; Y115-L320 HydrophobicContact CE2-CD2 4.17Å; I126-L320 HydrophobicContact CD1-CD1 3.48Å; I126-L320 VanDerWaalsContact CD1-CD1 3.48Å; I126-L320 HydrophobicContact CG1-CD1 3.74Å; L310-L320 HydrophobicContact CB-CD2 4.41Å; L310-L320 HydrophobicContact CD1-CD1 4.18Å; L310-L320 HydrophobicContact CD1-CD2 4.43Å; L310-L320 HydrophobicContact CD2-CD1 4.23Å; I313-L320 HydrophobicContact CD1-CD2 3.84Å; P317-L320 HydrophobicContact CB-CD1 4.45Å; P317-L320 WeakPolarHBondContact O-CG 3.37Å; P317-L320 PolarHBondContact O-N 3.45Å; L320-T322 PolarHBondContact O-N 2.78Å; L320-R374 CarbonylContact O-C 3.58Å; L320-L375 HydrophobicContact CB-CD1 4.4Å; L320-L375 HydrophobicContact CB-CD2 4.26Å
321	G	98.4	Very high	97.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.064	C	C	.	.	B	Isolated β-bridge	trans	84.3	-110	176.8	0	0	0	0	0	110.4	H140 L310 Y312 G323	H140-G321 VanDerWaalsContact NE2-CA 3.27Å; H140-G321 WeakPolarHBondContact NE2-CA 3.32Å; L310-G321 WeakPolarHBondContact O-CA 3.39Å; L310-G321 PolarHBondContact O-N 3.31Å; Y312-G321 WeakPolarHBondContact CB-O 3.34Å; Y312-G321 PolarHBondContact N-O 2.93Å; Y312-G321 PolarHBondContact O-N 2.86Å; G321-G323 VanDerWaalsContact C-N 3.35Å
322	T	98.6	Very high	97.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-23.4	177	60	0	0	0	0	112.6	H140 T166 L320 L324 R374 K377 E379 L382	H140-T322 PolarHBondContact NE2-N 3.42Å; T166-T322 PolarHBondContact OG1-O 3.23Å; L320-T322 PolarHBondContact O-N 2.78Å; T322-L324 PolarHBondContact O-N 2.93Å; T322-L324 WeakPolarHBondContact OG1-CB 3.47Å; T322-L324 PolarHBondContact OG1-N 3.47Å; T322-R374 PolarHBondContact N-O 3Å; T322-R374 PolarHBondContact OG1-O 2.8Å; T322-K377 VanDerWaalsContact CG2-O 3.24Å; T322-K377 WeakPolarHBondContact CG2-O 3.28Å; T322-E379 HydrophobicContact CG2-CG 3.76Å; T322-L382 HydrophobicContact CG2-CD1 3.79Å; T322-L382 VanDerWaalsContact OG1-CD1 3.3Å; T322-L382 WeakPolarHBondContact OG1-CD1 3.31Å
323	G	97.5	Very high	97.7	Very high	1 Å²	1	14 Å²	14	1%	0.01	7%	0.069	C	C	.	.			trans	56.7	8.6	-163.2	0	0	0	0	0	114.3	T166 N319 G321	T166-G323 WeakPolarHBondContact CA-O 3.27Å; N319-G323 WeakPolarHBondContact O-CA 3.24Å; N319-G323 PolarHBondContact O-N 3.34Å; G321-G323 VanDerWaalsContact C-N 3.35Å
324	L	98.3	Very high	97.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.084	C	C	.	.			trans	-84.4	131.7	-161.9	-175.6	147.6	0	0	0	111.4	V164 R165 F283 F286 T322 A326 N371 R374 E379 L382 V383	V164-L324 HydrophobicContact CG1-CD1 3.91Å; V164-L324 HydrophobicContact CG1-CG 4.11Å; R165-L324 CarbonylContact O-C 3.6Å; R165-L324 VanDerWaalsContact O-CA 3.3Å; R165-L324 WeakPolarHBondContact O-CA 3.36Å; F283-L324 HydrophobicContact CE2-CD1 4.15Å; F286-L324 HydrophobicContact CE1-CD1 4.13Å; F286-L324 HydrophobicContact CZ-CD1 4.44Å; T322-L324 PolarHBondContact O-N 2.93Å; T322-L324 WeakPolarHBondContact OG1-CB 3.47Å; T322-L324 PolarHBondContact OG1-N 3.47Å; L324-A326 HydrophobicContact CD2-CB 3.79Å; L324-N371 PolarHBondContact O-ND2 3.17Å; L324-R374 WeakPolarHBondContact O-CG 3.44Å; L324-E379 HydrophobicContact CD1-CB 3.7Å; L324-E379 HydrophobicContact CD1-CG 3.75Å; L324-L382 HydrophobicContact CB-CD1 4.41Å; L324-L382 HydrophobicContact CD2-CB 4.04Å; L324-L382 HydrophobicContact CD2-CD1 4.37Å; L324-V383 HydrophobicContact CD1-CG2 4.18Å; L324-V383 HydrophobicContact CD2-CG2 4.16Å
325	R	97.8	Very high	97.5	Very high	11 Å²	11	16.8 Å²	16.8	4%	0.042	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	98.5	164.8	-179.1	-166.4	177.2	92.3	5.8	107.6	R165 R353 D368 S370 N371	R165-R325 HydrophobicContact CG-CB 3.81Å; R165-R325 PolarHBondContact N-O 2.65Å; R165-R325 PolarHBondContact O-N 2.77Å; R325-R353 VanDerWaalsContact NH1-NE 3.17Å; R325-R353 VanDerWaalsContact NH1-NH1 3.2Å; R325-D368 IonicContact CZ-OD2 3.36Å; R325-D368 IonicContact NE-OD2 3.8Å; R325-D368 VanDerWaalsContact NH2-CG 3.34Å; R325-D368 IonicContact NH2-OD1 3.73Å; R325-D368 PolarHBondContact NH2-OD1 3.18Å; R325-D368 IonicContact NH2-OD2 2.73Å; R325-D368 PolarHBondContact NH2-OD2 3.12Å; R325-S370 PolarHBondContact NH1-OG 2.94Å; R325-S370 PolarHBondContact NH2-OG 2.87Å; R325-N371 WeakPolarHBondContact CA-OD1 3.45Å
326	A	98.1	Very high	97.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	136.1	164	0	0	0	0	0	108.3	R163 V164 L324 S370 N371 V383 L386	R163-A326 CarbonylContact O-C 3.51Å; R163-A326 WeakPolarHBondContact O-CA 3.39Å; V164-A326 HydrophobicContact CG1-CB 4.42Å; V164-A326 HydrophobicContact CG2-CB 3.9Å; L324-A326 HydrophobicContact CD2-CB 3.79Å; A326-S370 WeakPolarHBondContact O-CA 3.14Å; A326-S370 WeakPolarHBondContact O-CB 3.33Å; A326-N371 PolarHBondContact N-OD1 2.9Å; A326-N371 PolarHBondContact O-N 3.15Å; A326-N371 PolarHBondContact O-OD1 3.06Å; A326-V383 HydrophobicContact CB-CG2 3.96Å; A326-L386 HydrophobicContact CB-CD2 3.5Å; A326-L386 WeakPolarHBondContact O-CD2 3.37Å
327	G	97.5	Very high	97.1	Very high	6 Å²	6	23.9 Å²	23.9	6%	0.062	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	170.7	-179.8	0	0	0	0	0	113.7	R163 M279 I369	R163-G327 PolarHBondContact N-O 3.07Å; R163-G327 PolarHBondContact O-N 3.49Å; M279-G327 WeakPolarHBondContact CE-O 3.49Å; G327-I369 CarbonylContact C-O 3.54Å; G327-I369 WeakPolarHBondContact CA-O 3.28Å
328	V	97.5	Very high	97.1	Very high	1 Å²	1	25 Å²	25	1%	0.006	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	148.9	179.3	-65	0	0	0	0	110.5	F154 V159 S161 M279 I330 D368 I369 V390	F154-V328 HydrophobicContact CD2-CG1 3.87Å; F154-V328 HydrophobicContact CE2-CG1 3.51Å; F154-V328 HydrophobicContact CZ-CG1 4.44Å; V159-V328 HydrophobicContact CG1-CB 3.97Å; V159-V328 HydrophobicContact CG1-CG1 3.96Å; S161-V328 VanDerWaalsContact O-CA 3.26Å; S161-V328 WeakPolarHBondContact O-CA 3.41Å; M279-V328 HydrophobicContact CE-CG1 3.82Å; V328-I330 HydrophobicContact CG2-CB 4.04Å; V328-I330 HydrophobicContact CG2-CG2 4.17Å; V328-D368 WeakPolarHBondContact O-CA 3.18Å; V328-I369 HydrophobicContact CG2-CB 4.31Å; V328-I369 PolarHBondContact N-O 3.47Å; V328-I369 PolarHBondContact O-N 2.6Å; V328-V390 HydrophobicContact CG2-CG1 4.07Å; V328-V390 HydrophobicContact CG2-CG2 3.61Å
329	H	95.8	Very high	97.1	Very high	60 Å²	60	30.4 Å²	30.4	28%	0.278	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	115.8	156.7	-73	172.7	0	0	0	108.2	V159 L160 S161 T366 F367	V159-H329 WeakPolarHBondContact CA-O 3.43Å; L160-H329 HydrophobicContact CB-CB 4.2Å; L160-H329 PolarHBondContact N-O 2.87Å; S161-H329 PolarHBondContact O-N 2.78Å; S161-H329 PolarHBondContact OG-ND1 2.99Å; H329-T366 HydrophobicContact CB-CG2 4.23Å; H329-F367 WeakPolarHBondContact CA-O 3.44Å
330	I	96.5	Very high	97.1	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	138.6	-176	-173.2	172.7	0	0	0	111.1	Y158 V159 V328 L332 T366 F367 I369 V390 I394	Y158-I330 CarbonylContact O-C 3.53Å; Y158-I330 WeakPolarHBondContact O-CA 3.33Å; V159-I330 HydrophobicContact CG2-CB 4.36Å; V159-I330 HydrophobicContact CG2-CD1 4.21Å; V159-I330 HydrophobicContact CG2-CG1 4.16Å; V328-I330 HydrophobicContact CG2-CB 4.04Å; V328-I330 HydrophobicContact CG2-CG2 4.17Å; I330-L332 HydrophobicContact CD1-CD1 4.38Å; I330-L332 HydrophobicContact CD1-CD2 3.86Å; I330-L332 HydrophobicContact CD1-CG 4.18Å; I330-L332 HydrophobicContact CG1-CD2 4.09Å; I330-L332 HydrophobicContact CG1-CG 4.03Å; I330-L332 HydrophobicContact CG2-CD1 3.97Å; I330-L332 HydrophobicContact CG2-CG 4.23Å; I330-T366 WeakPolarHBondContact O-CA 3.48Å; I330-F367 PolarHBondContact N-O 3.44Å; I330-F367 PolarHBondContact O-N 3.06Å; I330-I369 HydrophobicContact CG2-CB 4.19Å; I330-I369 HydrophobicContact CG2-CG1 3.5Å; I330-I369 VanDerWaalsContact CG2-CG1 3.5Å; I330-V390 HydrophobicContact CD1-CG1 4.15Å; I330-I394 HydrophobicContact CD1-CD1 4.29Å; I330-I394 HydrophobicContact CD1-CG1 3.68Å
331	R	96	Very high	97	Very high	122 Å²	122	33.1 Å²	33.1	46%	0.46	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	122.4	173.4	-74.2	175.6	42.2	147.1	-0.1	111.4	Y158 L160 D365	Y158-R331 PolarHBondContact O-N 3.33Å; L160-R331 HydrophobicContact CD1-CG 4.15Å; L160-R331 HydrophobicContact CD2-CG 4.41Å; L160-R331 HydrophobicContact CG-CG 4.37Å; R331-D365 CarbonylContact C-O 3.6Å; R331-D365 WeakPolarHBondContact CA-O 3.15Å
332	L	96.1	Very high	96.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.182	C	C	.	.			trans	-136.4	63.4	-177.4	-64.2	173.3	0	0	0	111.7	I330 N334 L335 S336 F341 D365 F367 L393 E397	I330-L332 HydrophobicContact CD1-CD1 4.38Å; I330-L332 HydrophobicContact CD1-CD2 3.86Å; I330-L332 HydrophobicContact CD1-CG 4.18Å; I330-L332 HydrophobicContact CG1-CD2 4.09Å; I330-L332 HydrophobicContact CG1-CG 4.03Å; I330-L332 HydrophobicContact CG2-CD1 3.97Å; I330-L332 HydrophobicContact CG2-CG 4.23Å; L332-N334 VanDerWaalsContact C-N 3.29Å; L332-N334 PolarHBondContact O-N 3.32Å; L332-L335 HydrophobicContact CB-CB 4.33Å; L332-L335 HydrophobicContact CD1-CD2 4.33Å; L332-L335 HydrophobicContact CD2-CD2 4.34Å; L332-S336 WeakPolarHBondContact O-CB 3.31Å; L332-S336 PolarHBondContact O-N 2.89Å; L332-S336 VanDerWaalsContact O-N 3.11Å; L332-S336 PolarHBondContact O-OG 3.16Å; L332-F341 HydrophobicContact CD1-CE2 4.16Å; L332-F341 HydrophobicContact CD1-CZ 3.99Å; L332-D365 PolarHBondContact N-O 3.37Å; L332-F367 HydrophobicContact CB-CD2 4.19Å; L332-F367 HydrophobicContact CB-CE2 4.26Å; L332-L393 HydrophobicContact CD1-CB 4.45Å; L332-L393 HydrophobicContact CD1-CD1 4.4Å; L332-L393 HydrophobicContact CD2-CB 4.46Å; L332-E397 WeakPolarHBondContact CA-OE2 3.46Å; L332-E397 HydrophobicContact CD2-CB 3.82Å; L332-E397 HydrophobicContact CD2-CG 4.11Å
333	P	95.9	Very high	96.8	Very high	24 Å²	24	40.1 Å²	40.1	16%	0.156	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-24.9	-172.8	25.6	-35.1	0	0	0	114.9	K337 D365 E397	P333-K337 WeakPolarHBondContact O-CD 3.39Å; P333-K337 WeakPolarHBondContact O-CE 3.25Å; P333-K337 PolarHBondContact O-NZ 2.7Å; P333-D365 HydrophobicContact CB-CB 3.89Å; P333-E397 WeakPolarHBondContact CD-OE1 3.49Å; P333-E397 VanDerWaalsContact CG-OE1 3.28Å; P333-E397 WeakPolarHBondContact CG-OE1 3.21Å
334	N	97.4	Very high	96.8	Very high	60 Å²	60	40 Å²	40	32%	0.321	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-49.8	177.8	-59.9	-69.2	0	0	0	111.3	L332 S336 K337 E397 L400	L332-N334 VanDerWaalsContact C-N 3.29Å; L332-N334 PolarHBondContact O-N 3.32Å; N334-S336 VanDerWaalsContact C-N 3.26Å; N334-S336 PolarHBondContact O-N 3.43Å; N334-K337 PolarHBondContact O-N 2.56Å; N334-K337 VanDerWaalsContact O-N 3.12Å; N334-E397 VanDerWaalsContact CB-OE1 3.32Å; N334-E397 WeakPolarHBondContact CB-OE1 3.26Å; N334-E397 PolarHBondContact N-OE1 3.47Å; N334-E397 PolarHBondContact N-OE2 3.23Å; N334-E397 PolarHBondContact ND2-OE1 3.44Å; N334-L400 HydrophobicContact CB-CB 3.68Å; N334-L400 HydrophobicContact CB-CD1 4.07Å
335	L	97.1	Very high	96.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-62.5	-34.2	-177	-178.7	60.4	0	0	0	112.1	L332 K337 D338 F341 I344 L393 C396 E397 L400 I406	L332-L335 HydrophobicContact CB-CB 4.33Å; L332-L335 HydrophobicContact CD1-CD2 4.33Å; L332-L335 HydrophobicContact CD2-CD2 4.34Å; L335-K337 PolarHBondContact O-N 3.42Å; L335-K337 VanDerWaalsContact O-N 3.16Å; L335-D338 HydrophobicContact CD1-CB 4.37Å; L335-D338 WeakPolarHBondContact O-CB 3.45Å; L335-D338 PolarHBondContact O-N 3.35Å; L335-F341 HydrophobicContact CD1-CB 4.5Å; L335-F341 HydrophobicContact CD1-CD2 4.37Å; L335-F341 HydrophobicContact CD2-CD2 4.02Å; L335-F341 HydrophobicContact CD2-CE2 4.13Å; L335-F341 HydrophobicContact CG-CD2 3.79Å; L335-F341 HydrophobicContact CG-CE2 4.25Å; L335-F341 HydrophobicContact CG-CG 4.25Å; L335-F341 WeakPolarHBondContact O-CB 3.34Å; L335-I344 HydrophobicContact CD1-CD1 4.1Å; L335-L393 HydrophobicContact CD2-CB 4.21Å; L335-L393 HydrophobicContact CD2-CD2 3.75Å; L335-C396 HydrophobicContact CD1-CB 4.15Å; L335-C396 HydrophobicContact CD2-CB 3.93Å; L335-E397 VanDerWaalsContact CB-OE2 3.28Å; L335-E397 WeakPolarHBondContact CB-OE2 3.5Å; L335-E397 PolarHBondContact N-OE2 2.99Å; L335-L400 HydrophobicContact CB-CD1 4.02Å; L335-L400 HydrophobicContact CD1-CD1 4.13Å; L335-I406 HydrophobicContact CD1-CD1 3.53Å
336	S	94.3	Very high	96.5	Very high	31 Å²	31	44.5 Å²	44.5	22%	0.217	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-62.2	-22.2	178.2	60.3	0	0	0	0	114.8	L332 N334 F367	L332-S336 WeakPolarHBondContact O-CB 3.31Å; L332-S336 PolarHBondContact O-N 2.89Å; L332-S336 VanDerWaalsContact O-N 3.11Å; L332-S336 PolarHBondContact O-OG 3.16Å; N334-S336 VanDerWaalsContact C-N 3.26Å; N334-S336 PolarHBondContact O-N 3.43Å; S336-F367 VanDerWaalsContact CB-CE2 3.44Å
337	K	95.1	Very high	96.5	Very high	151 Å²	151	45 Å²	45	66%	0.657	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-92.3	-13.8	178.1	-60.9	169.1	-173	151.4	0	112.4	P333 N334 L335	P333-K337 WeakPolarHBondContact O-CD 3.39Å; P333-K337 WeakPolarHBondContact O-CE 3.25Å; P333-K337 PolarHBondContact O-NZ 2.7Å; N334-K337 PolarHBondContact O-N 2.56Å; N334-K337 VanDerWaalsContact O-N 3.12Å; L335-K337 PolarHBondContact O-N 3.42Å; L335-K337 VanDerWaalsContact O-N 3.16Å
338	D	97.1	Very high	96.4	Very high	24 Å²	24	45.5 Å²	45.5	13%	0.128	23%	0.233	C	C	.	.	S	Bend	trans	-75.3	128.9	179.7	-167.5	-61.5	0	0	0	110.3	L335 R340 F341	L335-D338 HydrophobicContact CD1-CB 4.37Å; L335-D338 WeakPolarHBondContact O-CB 3.45Å; L335-D338 PolarHBondContact O-N 3.35Å; D338-R340 PolarHBondContact O-N 3.05Å; D338-R340 WeakPolarHBondContact OD1-CB 3.28Å; D338-R340 VanDerWaalsContact OD1-CG 3.31Å; D338-R340 WeakPolarHBondContact OD1-CG 3.4Å; D338-R340 IonicContact OD1-CZ 3Å; D338-R340 PolarHBondContact OD1-N 3.21Å; D338-R340 IonicContact OD1-NE 3.46Å; D338-R340 PolarHBondContact OD1-NE 3.14Å; D338-R340 IonicContact OD1-NH2 3.81Å; D338-R340 IonicContact OD2-CZ 3.99Å; D338-R340 IonicContact OD2-NE 2.89Å; D338-R340 PolarHBondContact OD2-NE 3.25Å; D338-R340 IonicContact OD2-NH2 3.56Å; D338-R340 PolarHBondContact OD2-NH2 2.92Å; D338-F341 WeakPolarHBondContact O-CB 3.25Å; D338-F341 PolarHBondContact O-N 3.24Å
339	P	97.2	Very high	96.2	Very high	130 Å²	130	46.9 Å²	46.9	84%	0.844	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.9	-178.9	26.1	-35.8	0	0	0	113.3	F341	P339-F341 VanDerWaalsContact C-N 3.32Å
340	R	97.9	Very high	96.2	Very high	71 Å²	71	44.2 Å²	44.2	27%	0.268	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-12.7	179	-59.6	170.3	-73.9	-166.4	-5.4	113	D338 G342 K343 I344 D405 I406 V408	D338-R340 PolarHBondContact O-N 3.05Å; D338-R340 WeakPolarHBondContact OD1-CB 3.28Å; D338-R340 VanDerWaalsContact OD1-CG 3.31Å; D338-R340 WeakPolarHBondContact OD1-CG 3.4Å; D338-R340 IonicContact OD1-CZ 3Å; D338-R340 PolarHBondContact OD1-N 3.21Å; D338-R340 IonicContact OD1-NE 3.46Å; D338-R340 PolarHBondContact OD1-NE 3.14Å; D338-R340 IonicContact OD1-NH2 3.81Å; D338-R340 IonicContact OD2-CZ 3.99Å; D338-R340 IonicContact OD2-NE 2.89Å; D338-R340 PolarHBondContact OD2-NE 3.25Å; D338-R340 IonicContact OD2-NH2 3.56Å; D338-R340 PolarHBondContact OD2-NH2 2.92Å; R340-G342 PolarHBondContact O-N 2.86Å; R340-K343 PolarHBondContact O-N 2.9Å; R340-K343 VanDerWaalsContact O-N 3.07Å; R340-I344 HydrophobicContact CB-CD1 4.25Å; R340-I344 WeakPolarHBondContact O-CG1 3.1Å; R340-I344 PolarHBondContact O-N 3.01Å; R340-D405 IonicContact CZ-OD1 3.85Å; R340-D405 IonicContact NH1-OD1 3.32Å; R340-D405 PolarHBondContact NH1-OD1 3.25Å; R340-D405 IonicContact NH1-OD2 3.08Å; R340-D405 IonicContact NH2-OD1 2.79Å; R340-D405 PolarHBondContact NH2-OD1 2.83Å; R340-I406 VanDerWaalsContact CZ-CG1 3.47Å; R340-I406 PolarHBondContact NH1-O 3.47Å; R340-I406 VanDerWaalsContact NH2-CG1 3.29Å; R340-V408 HydrophobicContact CB-CG2 3.97Å; R340-V408 HydrophobicContact CG-CG2 4.18Å
341	F	96.9	Very high	96	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.018	23%	0.232	C	C	.	.	H	α-helix	trans	-56.7	-45.3	-172.8	-179.4	-146.2	0	0	0	113.4	L332 L335 D338 P339 K343 I344 L345 K352 I369 L393	L332-F341 HydrophobicContact CD1-CE2 4.16Å; L332-F341 HydrophobicContact CD1-CZ 3.99Å; L335-F341 HydrophobicContact CD1-CB 4.5Å; L335-F341 HydrophobicContact CD1-CD2 4.37Å; L335-F341 HydrophobicContact CD2-CD2 4.02Å; L335-F341 HydrophobicContact CD2-CE2 4.13Å; L335-F341 HydrophobicContact CG-CD2 3.79Å; L335-F341 HydrophobicContact CG-CE2 4.25Å; L335-F341 HydrophobicContact CG-CG 4.25Å; L335-F341 WeakPolarHBondContact O-CB 3.34Å; D338-F341 WeakPolarHBondContact O-CB 3.25Å; D338-F341 PolarHBondContact O-N 3.24Å; P339-F341 VanDerWaalsContact C-N 3.32Å; F341-K343 VanDerWaalsContact C-N 3.32Å; F341-K343 PolarHBondContact O-N 2.97Å; F341-I344 PolarHBondContact O-N 3.45Å; F341-L345 HydrophobicContact CD2-CD1 4.14Å; F341-L345 HydrophobicContact CD2-CD2 4.49Å; F341-L345 HydrophobicContact CD2-CG 3.99Å; F341-L345 HydrophobicContact CE1-CD1 4.2Å; F341-L345 HydrophobicContact CE2-CD1 3.71Å; F341-L345 HydrophobicContact CE2-CD2 3.78Å; F341-L345 HydrophobicContact CE2-CG 3.68Å; F341-L345 HydrophobicContact CZ-CD1 3.75Å; F341-L345 HydrophobicContact CZ-CD2 4.33Å; F341-L345 HydrophobicContact CZ-CG 4.23Å; F341-L345 WeakPolarHBondContact O-CG 3.44Å; F341-L345 PolarHBondContact O-N 3.3Å; F341-K352 HydrophobicContact CE1-CD 3.9Å; F341-K352 HydrophobicContact CZ-CD 4.42Å; F341-I369 HydrophobicContact CZ-CD1 4.32Å; F341-L393 HydrophobicContact CE2-CD2 4.15Å
342	G	95.4	Very high	95.7	Very high	35 Å²	35	45 Å²	45	36%	0.361	23%	0.233	S	C	.	.	H	α-helix	trans	-58.1	-45.6	176.7	0	0	0	0	0	112	R340 I344 L345 D346	R340-G342 PolarHBondContact O-N 2.86Å; G342-I344 VanDerWaalsContact C-N 3.35Å; G342-I344 PolarHBondContact O-N 3.45Å; G342-L345 PolarHBondContact O-N 2.99Å; G342-D346 VanDerWaalsContact O-CG 3.29Å; G342-D346 PolarHBondContact O-N 2.76Å
343	K	96.9	Very high	95.2	Very high	111 Å²	111	47.5 Å²	47.5	48%	0.483	24%	0.242	S	C	.	.	H	α-helix	trans	-68	-34	180	-170.7	58.9	176.6	165.3	0	112.9	R340 F341 N347 V408	R340-K343 PolarHBondContact O-N 2.9Å; R340-K343 VanDerWaalsContact O-N 3.07Å; F341-K343 VanDerWaalsContact C-N 3.32Å; F341-K343 PolarHBondContact O-N 2.97Å; K343-N347 WeakPolarHBondContact CE-OD1 3.33Å; K343-N347 PolarHBondContact NZ-OD1 3.34Å; K343-N347 VanDerWaalsContact NZ-OD1 3.15Å; K343-N347 WeakPolarHBondContact O-CB 3.47Å; K343-N347 PolarHBondContact O-N 3.4Å; K343-N347 PolarHBondContact O-OD1 3.16Å; K343-V408 HydrophobicContact CB-CG1 4.44Å; K343-V408 HydrophobicContact CG-CG1 3.78Å
344	I	98.1	Very high	94.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-50.7	172.8	-67.9	165.7	0	0	0	109.6	L335 R340 F341 G342 D346 N347 M348 Y392 L393 I406 V408 P409	L335-I344 HydrophobicContact CD1-CD1 4.1Å; R340-I344 HydrophobicContact CB-CD1 4.25Å; R340-I344 WeakPolarHBondContact O-CG1 3.1Å; R340-I344 PolarHBondContact O-N 3.01Å; F341-I344 PolarHBondContact O-N 3.45Å; G342-I344 VanDerWaalsContact C-N 3.35Å; G342-I344 PolarHBondContact O-N 3.45Å; I344-D346 PolarHBondContact O-N 3.4Å; I344-N347 PolarHBondContact O-N 3.27Å; I344-M348 HydrophobicContact CG2-CG 4.47Å; I344-M348 HydrophobicContact CG2-SD 4.03Å; I344-M348 WeakPolarHBondContact O-CB 3.39Å; I344-M348 VanDerWaalsContact O-CG 3.25Å; I344-M348 WeakPolarHBondContact O-CG 3.26Å; I344-M348 PolarHBondContact O-N 3.35Å; I344-Y392 HydrophobicContact CG2-CD1 4.07Å; I344-Y392 HydrophobicContact CG2-CE1 3.97Å; I344-L393 HydrophobicContact CG2-CD2 3.73Å; I344-I406 HydrophobicContact CD1-CD1 3.95Å; I344-V408 HydrophobicContact CG1-CG2 4.3Å; I344-P409 HydrophobicContact CG2-CG 4.32Å
345	L	96.5	Very high	92.9	Very high	6 Å²	6	45.2 Å²	45.2	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-58.2	-46.5	178	-67	175.1	0	0	0	112	F341 G342 N347 M348 R349 L350 K352 I369 L393	F341-L345 HydrophobicContact CD2-CD1 4.14Å; F341-L345 HydrophobicContact CD2-CD2 4.49Å; F341-L345 HydrophobicContact CD2-CG 3.99Å; F341-L345 HydrophobicContact CE1-CD1 4.2Å; F341-L345 HydrophobicContact CE2-CD1 3.71Å; F341-L345 HydrophobicContact CE2-CD2 3.78Å; F341-L345 HydrophobicContact CE2-CG 3.68Å; F341-L345 HydrophobicContact CZ-CD1 3.75Å; F341-L345 HydrophobicContact CZ-CD2 4.33Å; F341-L345 HydrophobicContact CZ-CG 4.23Å; F341-L345 WeakPolarHBondContact O-CG 3.44Å; F341-L345 PolarHBondContact O-N 3.3Å; G342-L345 PolarHBondContact O-N 2.99Å; L345-N347 PolarHBondContact O-N 2.98Å; L345-M348 CarbonylContact O-C 3.54Å; L345-M348 PolarHBondContact O-N 3.04Å; L345-R349 PolarHBondContact O-N 2.64Å; L345-L350 HydrophobicContact CB-CB 4.44Å; L345-L350 HydrophobicContact CD2-CB 3.83Å; L345-L350 HydrophobicContact CD2-CD1 4.18Å; L345-L350 PolarHBondContact O-N 3.03Å; L345-K352 HydrophobicContact CD1-CB 3.92Å; L345-K352 HydrophobicContact CD1-CD 3.85Å; L345-K352 HydrophobicContact CD1-CG 3.89Å; L345-I369 HydrophobicContact CD2-CD1 4.08Å; L345-I369 HydrophobicContact CD2-CG2 4.48Å; L345-L393 HydrophobicContact CD2-CD1 3.98Å; L345-L393 HydrophobicContact CD2-CD2 4.27Å
346	D	94.3	Very high	91.3	Very high	98 Å²	98	48.5 Å²	48.5	52%	0.524	27%	0.265	S	S	.	.	H	α-helix	trans	-59	-49.1	179.4	-70.3	-21.2	0	0	0	112	G342 I344 M348 R349	G342-D346 VanDerWaalsContact O-CG 3.29Å; G342-D346 PolarHBondContact O-N 2.76Å; I344-D346 PolarHBondContact O-N 3.4Å; D346-M348 VanDerWaalsContact C-N 3.27Å; D346-M348 PolarHBondContact O-N 3.38Å; D346-R349 PolarHBondContact O-N 3.13Å; D346-R349 VanDerWaalsContact O-N 3.1Å
347	N	96.1	Very high	89.8	Confident	12 Å²	12	48 Å²	48	6%	0.064	26%	0.264	C	S	.	.	H	α-helix	trans	-66.2	-32.2	-178.9	-76.3	11.8	0	0	0	111.7	K343 I344 L345 R349 V408 P409 P411 I412	K343-N347 WeakPolarHBondContact CE-OD1 3.33Å; K343-N347 PolarHBondContact NZ-OD1 3.34Å; K343-N347 VanDerWaalsContact NZ-OD1 3.15Å; K343-N347 WeakPolarHBondContact O-CB 3.47Å; K343-N347 PolarHBondContact O-N 3.4Å; K343-N347 PolarHBondContact O-OD1 3.16Å; I344-N347 PolarHBondContact O-N 3.27Å; L345-N347 PolarHBondContact O-N 2.98Å; N347-R349 VanDerWaalsContact C-N 3.31Å; N347-V408 WeakPolarHBondContact ND2-CG1 3.36Å; N347-P409 HydrophobicContact CB-CG 4.43Å; N347-P409 PolarHBondContact ND2-O 3.11Å; N347-P411 HydrophobicContact CB-CB 4.43Å; N347-P411 HydrophobicContact CB-CG 4.49Å; N347-I412 PolarHBondContact O-N 3.1Å
348	M	95.9	Very high	88	Confident	15 Å²	15	43.1 Å²	43.1	7%	0.074	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	3.5	175.6	-61.3	-167	92.1	0	0	113.7	I344 L345 D346 L350 L385 Y392 P409	I344-M348 HydrophobicContact CG2-CG 4.47Å; I344-M348 HydrophobicContact CG2-SD 4.03Å; I344-M348 WeakPolarHBondContact O-CB 3.39Å; I344-M348 VanDerWaalsContact O-CG 3.25Å; I344-M348 WeakPolarHBondContact O-CG 3.26Å; I344-M348 PolarHBondContact O-N 3.35Å; L345-M348 CarbonylContact O-C 3.54Å; L345-M348 PolarHBondContact O-N 3.04Å; D346-M348 VanDerWaalsContact C-N 3.27Å; D346-M348 PolarHBondContact O-N 3.38Å; M348-L350 HydrophobicContact CB-CD1 4.18Å; M348-L350 HydrophobicContact CB-CG 4.09Å; M348-L350 PolarHBondContact O-N 3.07Å; M348-L385 VanDerWaalsContact O-CD2 3.27Å; M348-L385 WeakPolarHBondContact O-CD2 3.31Å; M348-Y392 HydrophobicContact CE-CD1 4.06Å; M348-Y392 HydrophobicContact CE-CG 3.77Å; M348-Y392 HydrophobicContact SD-CD1 3.5Å; M348-Y392 WeakPolarHBondContact SD-CD1 3.49Å; M348-Y392 HydrophobicContact SD-CE1 4.34Å; M348-Y392 HydrophobicContact SD-CG 3.86Å; M348-P409 HydrophobicContact CG-CG 3.63Å; M348-P409 HydrophobicContact SD-CG 4.08Å
349	R	94.4	Very high	86	Confident	31 Å²	31	46.5 Å²	46.5	12%	0.117	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	32.4	179.9	-50	-66.9	-54.5	148.7	0.1	113.3	N131 L345 D346 N347 N372 D373 L385 I412	N131-R349 PolarHBondContact ND2-NH2 3.09Å; L345-R349 PolarHBondContact O-N 2.64Å; D346-R349 PolarHBondContact O-N 3.13Å; D346-R349 VanDerWaalsContact O-N 3.1Å; N347-R349 VanDerWaalsContact C-N 3.31Å; R349-N372 VanDerWaalsContact O-CB 3.25Å; R349-N372 WeakPolarHBondContact O-CB 3.37Å; R349-N372 PolarHBondContact O-N 3.03Å; R349-D373 IonicContact CZ-OD1 3.51Å; R349-D373 IonicContact CZ-OD2 3.8Å; R349-D373 IonicContact NE-OD1 3.76Å; R349-D373 IonicContact NE-OD2 3.71Å; R349-D373 PolarHBondContact NE-OD2 2.85Å; R349-D373 IonicContact NH2-OD1 3.31Å; R349-D373 PolarHBondContact NH2-OD1 3.03Å; R349-D373 IonicContact NH2-OD2 3.24Å; R349-D373 PolarHBondContact NH2-OD2 3.17Å; R349-L385 HydrophobicContact CB-CD1 3.98Å; R349-L385 HydrophobicContact CB-CD2 4.15Å; R349-L385 HydrophobicContact CG-CD1 4.23Å; R349-I412 HydrophobicContact CG-CB 4.02Å; R349-I412 HydrophobicContact CG-CG2 4.43Å
350	L	95.7	Very high	84.1	Confident	3 Å²	3	42 Å²	42	2%	0.016	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	158.4	176.3	-60.5	179.1	0	0	0	110.7	L345 M348 I369 S370 L385 L386 L393	L345-L350 HydrophobicContact CB-CB 4.44Å; L345-L350 HydrophobicContact CD2-CB 3.83Å; L345-L350 HydrophobicContact CD2-CD1 4.18Å; L345-L350 PolarHBondContact O-N 3.03Å; M348-L350 HydrophobicContact CB-CD1 4.18Å; M348-L350 HydrophobicContact CB-CG 4.09Å; M348-L350 PolarHBondContact O-N 3.07Å; L350-I369 HydrophobicContact CB-CG2 4.23Å; L350-I369 HydrophobicContact CD1-CG2 3.86Å; L350-I369 HydrophobicContact CG-CG2 4.44Å; L350-S370 CarbonylContact C-O 3.6Å; L350-S370 WeakPolarHBondContact CA-O 3.47Å; L350-L385 HydrophobicContact CD2-CD2 4Å; L350-L386 HydrophobicContact CD2-CD1 3.86Å; L350-L393 HydrophobicContact CD1-CD1 4.03Å
351	Q	92.1	Very high	82.4	Confident	30 Å²	30	42.4 Å²	42.4	14%	0.14	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.5	171.4	61.1	179	-6.8	0	0	109.7	I369 S370 N371 N372	Q351-I369 WeakPolarHBondContact O-CA 3.33Å; Q351-S370 WeakPolarHBondContact CG-OG 3.42Å; Q351-S370 PolarHBondContact N-O 3.24Å; Q351-S370 PolarHBondContact NE2-OG 3.26Å; Q351-S370 PolarHBondContact O-N 3.36Å; Q351-N371 PolarHBondContact NE2-O 3.42Å; Q351-N372 HydrophobicContact CB-CB 4.39Å
352	K	90.3	Very high	80.7	Confident	108 Å²	108	45.2 Å²	45.2	47%	0.47	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	143.5	173.9	66.3	175.3	-176	167.8	0	111.5	F341 L345 F367 D368 I369	F341-K352 HydrophobicContact CE1-CD 3.9Å; F341-K352 HydrophobicContact CZ-CD 4.42Å; L345-K352 HydrophobicContact CD1-CB 3.92Å; L345-K352 HydrophobicContact CD1-CD 3.85Å; L345-K352 HydrophobicContact CD1-CG 3.89Å; K352-F367 HydrophobicContact CD-CD1 4.48Å; K352-D368 CarbonylContact C-O 3.54Å; K352-D368 WeakPolarHBondContact CA-O 3.34Å; K352-I369 HydrophobicContact CB-CD1 3.54Å
353	R	84.4	Confident	79.1	Confident	54 Å²	54	48 Å²	48	20%	0.204	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	167.1	169.6	-64.4	-170.2	179.2	178.3	-8.2	110.4	R325 D368	R325-R353 VanDerWaalsContact NH1-NE 3.17Å; R325-R353 VanDerWaalsContact NH1-NH1 3.2Å; R353-D368 HydrophobicContact CB-CB 4.24Å; R353-D368 PolarHBondContact N-O 3.27Å; R353-D368 PolarHBondContact O-N 3.37Å
354	G	73.8	Confident	78.1	Confident	5 Å²	5	45.6 Å²	45.6	5%	0.052	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-65.2	164.9	168.3	0	0	0	0	0	112	G356 G357 S360	G354-G356 VanDerWaalsContact C-N 3.28Å; G354-G356 PolarHBondContact O-N 2.95Å; G354-G357 PolarHBondContact O-N 2.86Å; G354-G357 VanDerWaalsContact O-N 3.12Å; G354-S360 WeakPolarHBondContact CA-O 3.44Å; G354-S360 WeakPolarHBondContact CA-OG 3.24Å; G354-S360 PolarHBondContact O-OG 3.29Å
355	T	70.9	Confident	77.5	Confident	30 Å²	30	48.8 Å²	48.8	18%	0.184	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-23.2	-171.1	36.3	0	0	0	0	114.5	T363 T366	T355-T363 WeakPolarHBondContact CG2-OG1 3.18Å; T355-T363 PolarHBondContact OG1-N 3.04Å; T355-T363 PolarHBondContact OG1-OG1 3Å; T355-T366 HydrophobicContact CG2-CG2 3.81Å; T355-T366 VanDerWaalsContact CG2-O 3.3Å; T355-T366 WeakPolarHBondContact CG2-O 3.38Å
356	G	63.9	Low	77.2	Confident	69 Å²	69	49.7 Å²	49.7	71%	0.711	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	7.9	174.5	0	0	0	0	0	114.5	G354 S360	G354-G356 VanDerWaalsContact C-N 3.28Å; G354-G356 PolarHBondContact O-N 2.95Å; G356-S360 WeakPolarHBondContact CA-OG 3.36Å; G356-S360 PolarHBondContact N-OG 2.87Å
357	G	62.8	Low	77.1	Confident	20 Å²	20	45.7 Å²	45.7	21%	0.206	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	104.6	-156.9	-178.3	0	0	0	0	0	114.4	G354 D359 S360	G354-G357 PolarHBondContact O-N 2.86Å; G354-G357 VanDerWaalsContact O-N 3.12Å; G357-D359 VanDerWaalsContact C-N 3.32Å; G357-D359 PolarHBondContact O-N 3.39Å; G357-S360 PolarHBondContact N-OG 3.17Å; G357-S360 PolarHBondContact O-N 2.79Å; G357-S360 PolarHBondContact O-OG 3.45Å
358	V	58.2	Low	76.9	Confident	49 Å²	49	46 Å²	46	30%	0.297	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-27.8	-165	69.6	0	0	0	0	115	I102	I102-V358 HydrophobicContact CD1-CG2 4.04Å
359	D	55	Low	76.9	Confident	95 Å²	95	45.3 Å²	45.3	51%	0.508	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	6.4	-177.1	-58.4	-37	0	0	0	112.8	H99 G357	H99-D359 IonicContact CE1-OD1 3.51Å; H99-D359 IonicContact NE2-OD1 3.03Å; H99-D359 PolarHBondContact NE2-OD1 2.89Å; G357-D359 VanDerWaalsContact C-N 3.32Å; G357-D359 PolarHBondContact O-N 3.39Å
360	S	57.3	Low	77.1	Confident	36 Å²	36	43.8 Å²	43.8	25%	0.252	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-101.2	143.7	-177.7	72	0	0	0	0	112.1	G354 G356 G357	G354-S360 WeakPolarHBondContact CA-O 3.44Å; G354-S360 WeakPolarHBondContact CA-OG 3.24Å; G354-S360 PolarHBondContact O-OG 3.29Å; G356-S360 WeakPolarHBondContact CA-OG 3.36Å; G356-S360 PolarHBondContact N-OG 2.87Å; G357-S360 PolarHBondContact N-OG 3.17Å; G357-S360 PolarHBondContact O-N 2.79Å; G357-S360 PolarHBondContact O-OG 3.45Å
361	A	60.8	Low	77.1	Confident	80 Å²	80	43.7 Å²	43.7	66%	0.661	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-70.8	152.9	166.9	0	0	0	0	0	110.7	T363	A361-T363 PolarHBondContact O-N 3.1Å
362	T	60.8	Low	77.1	Confident	62 Å²	62	43.9 Å²	43.9	38%	0.38	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-63.1	126.8	170.8	-45.5	0	0	0	0	109.8	T366 F367	T362-T366 WeakPolarHBondContact CG2-O 3.17Å; T362-F367 HydrophobicContact CG2-CD1 3.75Å; T362-F367 HydrophobicContact CG2-CE1 3.48Å; T362-F367 VanDerWaalsContact CG2-CE1 3.48Å; T362-F367 HydrophobicContact CG2-CG 4.43Å; T362-F367 HydrophobicContact CG2-CZ 3.94Å
363	T	62	Low	77.2	Confident	93 Å²	93	38.9 Å²	38.9	57%	0.571	26%	0.263	S	S	*	.			trans	-92.2	107.6	169.6	54.3	0	0	0	0	110.2	T355 A361 D365	T355-T363 WeakPolarHBondContact CG2-OG1 3.18Å; T355-T363 PolarHBondContact OG1-N 3.04Å; T355-T363 PolarHBondContact OG1-OG1 3Å; A361-T363 PolarHBondContact O-N 3.1Å; T363-D365 PolarHBondContact O-N 3.46Å
364	G	76	Confident	77.8	Confident	61 Å²	61	36.6 Å²	36.6	63%	0.629	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	-130.9	178.4	0	0	0	0	0	113.1
365	D	85.8	Confident	78.9	Confident	68 Å²	68	36.4 Å²	36.4	36%	0.364	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	12.3	-173.2	-57.6	-46.7	0	0	0	113.9	R331 L332 P333 T363 F367	R331-D365 CarbonylContact C-O 3.6Å; R331-D365 WeakPolarHBondContact CA-O 3.15Å; L332-D365 PolarHBondContact N-O 3.37Å; P333-D365 HydrophobicContact CB-CB 3.89Å; T363-D365 PolarHBondContact O-N 3.46Å; D365-F367 WeakPolarHBondContact O-CD2 3.34Å; D365-F367 WeakPolarHBondContact O-CE2 3.43Å
366	T	90.6	Very high	80.1	Confident	25 Å²	25	35.6 Å²	35.6	15%	0.153	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.3	-177.8	-54.9	0	0	0	0	111	L160 H329 I330 T355 T362	L160-T366 HydrophobicContact CD1-CG2 3.82Å; H329-T366 HydrophobicContact CB-CG2 4.23Å; I330-T366 WeakPolarHBondContact O-CA 3.48Å; T355-T366 HydrophobicContact CG2-CG2 3.81Å; T355-T366 VanDerWaalsContact CG2-O 3.3Å; T355-T366 WeakPolarHBondContact CG2-O 3.38Å; T362-T366 WeakPolarHBondContact CG2-O 3.17Å
367	F	91.4	Very high	81.7	Confident	13 Å²	13	33.1 Å²	33.1	6%	0.057	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	143.9	-177.9	-59.3	-89.5	0	0	0	111.1	H329 I330 L332 S336 K352 T362 D365 I369	H329-F367 WeakPolarHBondContact CA-O 3.44Å; I330-F367 PolarHBondContact N-O 3.44Å; I330-F367 PolarHBondContact O-N 3.06Å; L332-F367 HydrophobicContact CB-CD2 4.19Å; L332-F367 HydrophobicContact CB-CE2 4.26Å; S336-F367 VanDerWaalsContact CB-CE2 3.44Å; K352-F367 HydrophobicContact CD-CD1 4.48Å; T362-F367 HydrophobicContact CG2-CD1 3.75Å; T362-F367 HydrophobicContact CG2-CE1 3.48Å; T362-F367 VanDerWaalsContact CG2-CE1 3.48Å; T362-F367 HydrophobicContact CG2-CG 4.43Å; T362-F367 HydrophobicContact CG2-CZ 3.94Å; D365-F367 WeakPolarHBondContact O-CD2 3.34Å; D365-F367 WeakPolarHBondContact O-CE2 3.43Å; F367-I369 HydrophobicContact CB-CD1 3.98Å; F367-I369 HydrophobicContact CB-CG1 4.12Å
368	D	93.2	Very high	83.3	Confident	19 Å²	19	32.4 Å²	32.4	10%	0.102	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	106.1	160.6	172.2	7.1	0	0	0	108.4	R325 V328 K352 R353	R325-D368 IonicContact CZ-OD2 3.36Å; R325-D368 IonicContact NE-OD2 3.8Å; R325-D368 VanDerWaalsContact NH2-CG 3.34Å; R325-D368 IonicContact NH2-OD1 3.73Å; R325-D368 PolarHBondContact NH2-OD1 3.18Å; R325-D368 IonicContact NH2-OD2 2.73Å; R325-D368 PolarHBondContact NH2-OD2 3.12Å; V328-D368 WeakPolarHBondContact O-CA 3.18Å; K352-D368 CarbonylContact C-O 3.54Å; K352-D368 WeakPolarHBondContact CA-O 3.34Å; R353-D368 HydrophobicContact CB-CB 4.24Å; R353-D368 PolarHBondContact N-O 3.27Å; R353-D368 PolarHBondContact O-N 3.37Å
369	I	96.3	Very high	85.3	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	127.3	175.5	-59.2	-59.3	0	0	0	109	G327 V328 I330 F341 L345 L350 Q351 K352 F367 L393	G327-I369 CarbonylContact C-O 3.54Å; G327-I369 WeakPolarHBondContact CA-O 3.28Å; V328-I369 HydrophobicContact CG2-CB 4.31Å; V328-I369 PolarHBondContact N-O 3.47Å; V328-I369 PolarHBondContact O-N 2.6Å; I330-I369 HydrophobicContact CG2-CB 4.19Å; I330-I369 HydrophobicContact CG2-CG1 3.5Å; I330-I369 VanDerWaalsContact CG2-CG1 3.5Å; F341-I369 HydrophobicContact CZ-CD1 4.32Å; L345-I369 HydrophobicContact CD2-CD1 4.08Å; L345-I369 HydrophobicContact CD2-CG2 4.48Å; L350-I369 HydrophobicContact CB-CG2 4.23Å; L350-I369 HydrophobicContact CD1-CG2 3.86Å; L350-I369 HydrophobicContact CG-CG2 4.44Å; Q351-I369 WeakPolarHBondContact O-CA 3.33Å; K352-I369 HydrophobicContact CB-CD1 3.54Å; F367-I369 HydrophobicContact CB-CD1 3.98Å; F367-I369 HydrophobicContact CB-CG1 4.12Å; I369-L393 HydrophobicContact CG1-CD1 4.36Å; I369-L393 HydrophobicContact CG2-CD1 4Å
370	S	97.1	Very high	87.3	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	165.9	-179.4	57.9	0	0	0	0	112.8	R325 A326 L350 Q351	R325-S370 PolarHBondContact NH1-OG 2.94Å; R325-S370 PolarHBondContact NH2-OG 2.87Å; A326-S370 WeakPolarHBondContact O-CA 3.14Å; A326-S370 WeakPolarHBondContact O-CB 3.33Å; L350-S370 CarbonylContact C-O 3.6Å; L350-S370 WeakPolarHBondContact CA-O 3.47Å; Q351-S370 WeakPolarHBondContact CG-OG 3.42Å; Q351-S370 PolarHBondContact N-O 3.24Å; Q351-S370 PolarHBondContact NE2-OG 3.26Å; Q351-S370 PolarHBondContact O-N 3.36Å
371	N	96.2	Very high	89.3	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	137.6	170	62.4	-68.3	0	0	0	111.2	L324 R325 A326 Q351 D373 R374	L324-N371 PolarHBondContact O-ND2 3.17Å; R325-N371 WeakPolarHBondContact CA-OD1 3.45Å; A326-N371 PolarHBondContact N-OD1 2.9Å; A326-N371 PolarHBondContact O-N 3.15Å; A326-N371 PolarHBondContact O-OD1 3.06Å; Q351-N371 PolarHBondContact NE2-O 3.42Å; N371-D373 PolarHBondContact ND2-O 3.25Å; N371-R374 PolarHBondContact O-NH2 2.89Å
372	N	92	Very high	91.1	Very high	34 Å²	34	22.9 Å²	22.9	18%	0.182	14%	0.144	C	C	.	.	S	Bend	trans	-83.2	-41.5	175.3	-170.3	16.5	0	0	0	111.7	R349 Q351 R374	R349-N372 VanDerWaalsContact O-CB 3.25Å; R349-N372 WeakPolarHBondContact O-CB 3.37Å; R349-N372 PolarHBondContact O-N 3.03Å; Q351-N372 HydrophobicContact CB-CB 4.39Å; N372-R374 PolarHBondContact O-NH1 3.11Å
373	D	93.6	Very high	92.9	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.016	13%	0.126	C	C	.	.			trans	-72.3	146.3	-178.8	-71.1	-40.7	0	0	0	112.8	R349 N371 K377 L382 Q414	R349-D373 IonicContact CZ-OD1 3.51Å; R349-D373 IonicContact CZ-OD2 3.8Å; R349-D373 IonicContact NE-OD1 3.76Å; R349-D373 IonicContact NE-OD2 3.71Å; R349-D373 PolarHBondContact NE-OD2 2.85Å; R349-D373 IonicContact NH2-OD1 3.31Å; R349-D373 PolarHBondContact NH2-OD1 3.03Å; R349-D373 IonicContact NH2-OD2 3.24Å; R349-D373 PolarHBondContact NH2-OD2 3.17Å; N371-D373 PolarHBondContact ND2-O 3.25Å; D373-K377 HydrophobicContact CB-CD 4.48Å; D373-K377 IonicContact OD2-NZ 2.71Å; D373-K377 PolarHBondContact OD2-NZ 2.76Å; D373-L382 HydrophobicContact CB-CD2 3.63Å; D373-L382 WeakPolarHBondContact O-CD2 3.33Å; D373-Q414 PolarHBondContact OD1-NE2 2.82Å
374	R	95.9	Very high	94.6	Very high	7 Å²	7	17 Å²	17	3%	0.026	11%	0.106	C	C	.	.			trans	-135.7	-27.5	174.6	-75.9	172.6	-156	62.3	24.3	113.9	S318 L320 T322 L324 N371 N372	S318-R374 WeakPolarHBondContact O-CD 2.87Å; L320-R374 CarbonylContact O-C 3.58Å; T322-R374 PolarHBondContact N-O 3Å; T322-R374 PolarHBondContact OG1-O 2.8Å; L324-R374 WeakPolarHBondContact O-CG 3.44Å; N371-R374 PolarHBondContact O-NH2 2.89Å; N372-R374 PolarHBondContact O-NH1 3.11Å
375	L	96.9	Very high	95.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-117.3	145.5	-178.9	-170.5	64	0	0	0	110.3	I126 H130 Y133 H140 L310 L320	I126-L375 HydrophobicContact CG2-CD2 3.61Å; H130-L375 HydrophobicContact CB-CB 4.22Å; H130-L375 HydrophobicContact CB-CD2 4.5Å; H130-L375 WeakPolarHBondContact ND1-CB 3.36Å; Y133-L375 HydrophobicContact CD1-CD1 4.48Å; Y133-L375 HydrophobicContact CD1-CD2 3.24Å; Y133-L375 HydrophobicContact CD1-CG 3.56Å; Y133-L375 HydrophobicContact CD2-CG 4.17Å; Y133-L375 HydrophobicContact CE1-CD1 4.06Å; Y133-L375 HydrophobicContact CE1-CD2 3.48Å; Y133-L375 VanDerWaalsContact CE1-CD2 3.48Å; Y133-L375 HydrophobicContact CE1-CG 3.63Å; Y133-L375 HydrophobicContact CE2-CG 4.23Å; Y133-L375 HydrophobicContact CG-CD2 3.91Å; Y133-L375 HydrophobicContact CG-CG 3.83Å; H140-L375 HydrophobicContact CB-CD1 4.07Å; L310-L375 WeakPolarHBondContact O-CD1 3.17Å; L320-L375 HydrophobicContact CB-CD1 4.4Å; L320-L375 HydrophobicContact CB-CD2 4.26Å
376	G	96.6	Very high	96.2	Very high	14 Å²	14	11.6 Å²	11.6	14%	0.144	6%	0.062	C	C	.	.	S	Bend	trans	82.2	-1.5	-177.7	0	0	0	0	0	117	Y133 H140	Y133-G376 VanDerWaalsContact CD2-CA 3.5Å; H140-G376 PolarHBondContact ND1-N 3.17Å; H140-G376 VanDerWaalsContact ND1-N 3.18Å
377	K	96.5	Very high	96.6	Very high	17 Å²	17	10.4 Å²	10.4	7%	0.074	6%	0.055	C	C	.	.	S	Bend	trans	-133.3	142.5	169.3	-68.5	175.5	-175.7	163.2	0	108.9	H140 T322 D373 E381 L382 Q414	H140-K377 PolarHBondContact CE1-O 3.01Å; H140-K377 VanDerWaalsContact CE1-O 3.29Å; T322-K377 VanDerWaalsContact CG2-O 3.24Å; T322-K377 WeakPolarHBondContact CG2-O 3.28Å; D373-K377 HydrophobicContact CB-CD 4.48Å; D373-K377 IonicContact OD2-NZ 2.71Å; D373-K377 PolarHBondContact OD2-NZ 2.76Å; K377-E381 HydrophobicContact CB-CB 4.22Å; K377-L382 HydrophobicContact CB-CD2 3.83Å; K377-L382 HydrophobicContact CB-CG 4.02Å; K377-L382 HydrophobicContact CD-CD2 3.98Å; K377-Q414 WeakPolarHBondContact CE-O 3.48Å
378	S	98.1	Very high	96.9	Very high	5 Å²	5	13.8 Å²	13.8	4%	0.035	7%	0.074	C	C	.	.			trans	-71.2	166.1	178.3	61.5	0	0	0	0	112.8	P141 V380 E381 L382	P141-S378 WeakPolarHBondContact O-CA 3.24Å; S378-V380 PolarHBondContact O-N 2.88Å; S378-E381 WeakPolarHBondContact CB-OE2 3.38Å; S378-E381 PolarHBondContact N-OE2 3.28Å; S378-E381 PolarHBondContact O-N 3.26Å; S378-E381 VanDerWaalsContact OG-CG 3.26Å; S378-E381 WeakPolarHBondContact OG-CG 3.22Å; S378-E381 PolarHBondContact OG-N 3.12Å; S378-E381 PolarHBondContact OG-OE2 2.68Å; S378-L382 WeakPolarHBondContact O-CG 3.15Å; S378-L382 PolarHBondContact O-N 3.32Å
379	E	98.7	Very high	97.1	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-58.7	-45.3	179.3	-65.1	84.2	168.6	0	0	112.1	T142 D143 L144 F283 T322 L324 E381 L382 V383	T142-E379 WeakPolarHBondContact CA-OE2 3.33Å; D143-E379 PolarHBondContact N-OE2 3.12Å; D143-E379 WeakPolarHBondContact O-CB 3.24Å; L144-E379 HydrophobicContact CD2-CB 3.92Å; L144-E379 HydrophobicContact CD2-CG 3.7Å; F283-E379 HydrophobicContact CE2-CB 4.33Å; F283-E379 HydrophobicContact CZ-CB 4.09Å; T322-E379 HydrophobicContact CG2-CG 3.76Å; L324-E379 HydrophobicContact CD1-CB 3.7Å; L324-E379 HydrophobicContact CD1-CG 3.75Å; E379-E381 PolarHBondContact O-N 3.18Å; E379-L382 PolarHBondContact O-N 2.91Å; E379-V383 VanDerWaalsContact O-CG2 3.28Å; E379-V383 WeakPolarHBondContact O-CG2 3.48Å; E379-V383 PolarHBondContact O-N 2.79Å
380	V	98.6	Very high	97.2	Very high	13 Å²	13	12.9 Å²	12.9	8%	0.079	7%	0.069	C	C	.	.	H	α-helix	trans	-57.2	-47	174.2	163.8	0	0	0	0	111.5	D143 D145 K148 I149 F283 S378 L382 V383 Q384	D143-V380 HydrophobicContact CB-CB 4.39Å; D143-V380 HydrophobicContact CB-CG2 4.36Å; D143-V380 VanDerWaalsContact O-CG2 3.31Å; D143-V380 WeakPolarHBondContact O-CG2 3.49Å; D143-V380 PolarHBondContact O-N 3.04Å; D145-V380 WeakPolarHBondContact O-CG2 3.39Å; K148-V380 HydrophobicContact CB-CG1 3.69Å; K148-V380 HydrophobicContact CB-CG2 4.41Å; K148-V380 HydrophobicContact CD-CG1 4.16Å; K148-V380 HydrophobicContact CD-CG2 4.45Å; I149-V380 HydrophobicContact CD1-CB 4.49Å; I149-V380 HydrophobicContact CD1-CG1 4.11Å; F283-V380 HydrophobicContact CE1-CG2 3.94Å; F283-V380 HydrophobicContact CZ-CG2 4.23Å; S378-V380 PolarHBondContact O-N 2.88Å; V380-L382 PolarHBondContact O-N 3.46Å; V380-V383 PolarHBondContact O-N 3.15Å; V380-Q384 WeakPolarHBondContact O-CB 3.44Å; V380-Q384 PolarHBondContact O-N 3.01Å
381	E	97.8	Very high	97.3	Very high	45 Å²	45	15.5 Å²	15.5	21%	0.21	8%	0.083	C	C	.	.	H	α-helix	trans	-63.4	-41.4	179.5	-73	173.3	113.6	0	0	112.3	K377 S378 E379 L385 R416	K377-E381 HydrophobicContact CB-CB 4.22Å; S378-E381 WeakPolarHBondContact CB-OE2 3.38Å; S378-E381 PolarHBondContact N-OE2 3.28Å; S378-E381 PolarHBondContact O-N 3.26Å; S378-E381 VanDerWaalsContact OG-CG 3.26Å; S378-E381 WeakPolarHBondContact OG-CG 3.22Å; S378-E381 PolarHBondContact OG-N 3.12Å; S378-E381 PolarHBondContact OG-OE2 2.68Å; E379-E381 PolarHBondContact O-N 3.18Å; E381-L385 VanDerWaalsContact O-CB 3.27Å; E381-L385 WeakPolarHBondContact O-CB 3.43Å; E381-L385 PolarHBondContact O-N 2.7Å; E381-R416 IonicContact OE1-CZ 3.56Å; E381-R416 IonicContact OE1-NE 2.83Å; E381-R416 PolarHBondContact OE1-NE 3.29Å; E381-R416 IonicContact OE1-NH2 3.69Å; E381-R416 PolarHBondContact OE1-NH2 3.04Å
382	L	98.1	Very high	97.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-66.5	-39.8	179.1	-69.3	177.4	0	0	0	112.1	T322 L324 D373 K377 S378 E379 V380 L386	T322-L382 HydrophobicContact CG2-CD1 3.79Å; T322-L382 VanDerWaalsContact OG1-CD1 3.3Å; T322-L382 WeakPolarHBondContact OG1-CD1 3.31Å; L324-L382 HydrophobicContact CB-CD1 4.41Å; L324-L382 HydrophobicContact CD2-CB 4.04Å; L324-L382 HydrophobicContact CD2-CD1 4.37Å; D373-L382 HydrophobicContact CB-CD2 3.63Å; D373-L382 WeakPolarHBondContact O-CD2 3.33Å; K377-L382 HydrophobicContact CB-CD2 3.83Å; K377-L382 HydrophobicContact CB-CG 4.02Å; K377-L382 HydrophobicContact CD-CD2 3.98Å; S378-L382 WeakPolarHBondContact O-CG 3.15Å; S378-L382 PolarHBondContact O-N 3.32Å; E379-L382 PolarHBondContact O-N 2.91Å; V380-L382 PolarHBondContact O-N 3.46Å; L382-L386 PolarHBondContact O-N 3.32Å
383	V	98.6	Very high	97.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-70.7	-41.7	177.6	173.9	0	0	0	0	110.7	I149 M279 F283 L324 A326 E379 V380 L385 L386 V387	I149-V383 HydrophobicContact CD1-CB 3.9Å; I149-V383 HydrophobicContact CD1-CG1 3.75Å; I149-V383 HydrophobicContact CG1-CG1 4.18Å; M279-V383 HydrophobicContact CG-CG1 4.15Å; F283-V383 HydrophobicContact CB-CG1 4.35Å; F283-V383 HydrophobicContact CD1-CG1 4.38Å; F283-V383 HydrophobicContact CD2-CB 4.46Å; F283-V383 HydrophobicContact CD2-CG1 4.39Å; F283-V383 HydrophobicContact CD2-CG2 3.62Å; F283-V383 HydrophobicContact CE2-CB 4.5Å; F283-V383 HydrophobicContact CE2-CG2 3.57Å; F283-V383 HydrophobicContact CG-CG1 4.12Å; F283-V383 HydrophobicContact CG-CG2 4.16Å; F283-V383 HydrophobicContact CZ-CG2 4.03Å; L324-V383 HydrophobicContact CD1-CG2 4.18Å; L324-V383 HydrophobicContact CD2-CG2 4.16Å; A326-V383 HydrophobicContact CB-CG2 3.96Å; E379-V383 VanDerWaalsContact O-CG2 3.28Å; E379-V383 WeakPolarHBondContact O-CG2 3.48Å; E379-V383 PolarHBondContact O-N 2.79Å; V380-V383 PolarHBondContact O-N 3.15Å; V383-L385 PolarHBondContact O-N 2.88Å; V383-L386 WeakPolarHBondContact O-CB 3.42Å; V383-L386 PolarHBondContact O-N 3.24Å; V383-V387 WeakPolarHBondContact O-CG2 3.25Å; V383-V387 PolarHBondContact O-N 3.16Å
384	Q	98.4	Very high	97.9	Very high	31 Å²	31	16.6 Å²	16.6	15%	0.145	9%	0.086	C	C	.	.	H	α-helix	trans	-63.3	-42.1	175.7	-170.5	63	60.6	0	0	111.5	I149 T150 V380 L386 V387 D388	I149-Q384 HydrophobicContact CD1-CB 4.44Å; T150-Q384 PolarHBondContact O-NE2 2.84Å; T150-Q384 PolarHBondContact O-OE1 2.66Å; T150-Q384 PolarHBondContact OG1-OE1 3.44Å; V380-Q384 WeakPolarHBondContact O-CB 3.44Å; V380-Q384 PolarHBondContact O-N 3.01Å; Q384-L386 VanDerWaalsContact C-N 3.3Å; Q384-L386 PolarHBondContact O-N 3.24Å; Q384-V387 WeakPolarHBondContact O-CB 3.39Å; Q384-V387 PolarHBondContact O-N 2.68Å; Q384-V387 VanDerWaalsContact O-N 3.08Å; Q384-D388 PolarHBondContact NE2-OD1 3.26Å; Q384-D388 VanDerWaalsContact O-CG 3.26Å; Q384-D388 PolarHBondContact O-N 2.8Å
385	L	97.3	Very high	98.1	Very high	16 Å²	16	19.1 Å²	19.1	8%	0.084	10%	0.1	C	C	.	.	H	α-helix	trans	-59	-42.1	174.8	179.7	158.3	0	0	0	111.6	M348 R349 L350 E381 V383 G389 I412	M348-L385 VanDerWaalsContact O-CD2 3.27Å; M348-L385 WeakPolarHBondContact O-CD2 3.31Å; R349-L385 HydrophobicContact CB-CD1 3.98Å; R349-L385 HydrophobicContact CB-CD2 4.15Å; R349-L385 HydrophobicContact CG-CD1 4.23Å; L350-L385 HydrophobicContact CD2-CD2 4Å; E381-L385 VanDerWaalsContact O-CB 3.27Å; E381-L385 WeakPolarHBondContact O-CB 3.43Å; E381-L385 PolarHBondContact O-N 2.7Å; V383-L385 PolarHBondContact O-N 2.88Å; L385-G389 WeakPolarHBondContact O-CA 3.32Å; L385-G389 PolarHBondContact O-N 3.04Å; L385-I412 HydrophobicContact CD1-CD1 4.25Å; L385-I412 HydrophobicContact CD1-CG2 4.4Å; L385-I412 HydrophobicContact CG-CD1 4.2Å
386	L	98.2	Very high	98.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.2	-45.4	173.2	178.3	76.2	0	0	0	111.5	M279 A326 L350 L382 V383 Q384 D388 G389 V390	M279-L386 HydrophobicContact CE-CD2 3.66Å; M279-L386 HydrophobicContact SD-CD2 4.44Å; A326-L386 HydrophobicContact CB-CD2 3.5Å; A326-L386 WeakPolarHBondContact O-CD2 3.37Å; L350-L386 HydrophobicContact CD2-CD1 3.86Å; L382-L386 PolarHBondContact O-N 3.32Å; V383-L386 WeakPolarHBondContact O-CB 3.42Å; V383-L386 PolarHBondContact O-N 3.24Å; Q384-L386 VanDerWaalsContact C-N 3.3Å; Q384-L386 PolarHBondContact O-N 3.24Å; L386-D388 PolarHBondContact O-N 3.41Å; L386-G389 WeakPolarHBondContact O-CA 3.38Å; L386-G389 PolarHBondContact O-N 3.16Å; L386-V390 HydrophobicContact CD1-CG2 3.87Å; L386-V390 HydrophobicContact CG-CG2 4.09Å; L386-V390 WeakPolarHBondContact O-CB 3.48Å; L386-V390 VanDerWaalsContact O-CG2 3.32Å; L386-V390 WeakPolarHBondContact O-CG2 3.23Å; L386-V390 PolarHBondContact O-N 2.68Å
387	V	98.5	Very high	98.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-58.5	-49.7	-179.7	167	0	0	0	0	110.9	N151 F154 M279 V383 Q384 G389 V390 N391	N151-V387 VanDerWaalsContact O-CG1 3.25Å; N151-V387 WeakPolarHBondContact O-CG1 3.36Å; F154-V387 HydrophobicContact CE1-CB 4.23Å; F154-V387 HydrophobicContact CE1-CG1 4.14Å; F154-V387 HydrophobicContact CE1-CG2 4.21Å; F154-V387 HydrophobicContact CZ-CB 4.28Å; F154-V387 HydrophobicContact CZ-CG2 3.86Å; M279-V387 HydrophobicContact CB-CG2 4.41Å; M279-V387 HydrophobicContact CG-CG2 4.01Å; V383-V387 WeakPolarHBondContact O-CG2 3.25Å; V383-V387 PolarHBondContact O-N 3.16Å; Q384-V387 WeakPolarHBondContact O-CB 3.39Å; Q384-V387 PolarHBondContact O-N 2.68Å; Q384-V387 VanDerWaalsContact O-N 3.08Å; V387-G389 VanDerWaalsContact C-N 3.32Å; V387-G389 PolarHBondContact O-N 2.89Å; V387-V390 PolarHBondContact O-N 3.05Å; V387-N391 WeakPolarHBondContact O-CB 3.37Å; V387-N391 PolarHBondContact O-N 3.16Å; V387-N391 PolarHBondContact O-ND2 3.13Å; V387-N391 VanDerWaalsContact O-ND2 3.11Å
388	D	98.3	Very high	98.4	Very high	84 Å²	84	20.6 Å²	20.6	45%	0.449	10%	0.102	S	C	.	.	H	α-helix	trans	-63.9	-42.4	178.2	-59.8	-16.1	0	0	0	110.9	Q384 L386 Y392	Q384-D388 PolarHBondContact NE2-OD1 3.26Å; Q384-D388 VanDerWaalsContact O-CG 3.26Å; Q384-D388 PolarHBondContact O-N 2.8Å; L386-D388 PolarHBondContact O-N 3.41Å; D388-Y392 PolarHBondContact O-N 2.79Å
389	G	98.1	Very high	98.4	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-46.6	-64.2	170.3	0	0	0	0	0	114.1	L385 L386 V387 N391 Y392 L393	L385-G389 WeakPolarHBondContact O-CA 3.32Å; L385-G389 PolarHBondContact O-N 3.04Å; L386-G389 WeakPolarHBondContact O-CA 3.38Å; L386-G389 PolarHBondContact O-N 3.16Å; V387-G389 VanDerWaalsContact C-N 3.32Å; V387-G389 PolarHBondContact O-N 2.89Å; G389-N391 PolarHBondContact O-N 3.25Å; G389-Y392 WeakPolarHBondContact O-CB 3.45Å; G389-Y392 PolarHBondContact O-N 3.44Å; G389-L393 WeakPolarHBondContact O-CG 3.48Å; G389-L393 PolarHBondContact O-N 3.26Å; G389-L393 VanDerWaalsContact O-N 3.07Å
390	V	98.4	Very high	98.4	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.2	-40.9	-175.6	170.1	0	0	0	0	111.1	F154 V159 V328 I330 L386 V387 Y392 L393 I394	F154-V390 HydrophobicContact CD1-CB 4.2Å; F154-V390 HydrophobicContact CD1-CG1 3.66Å; F154-V390 HydrophobicContact CD2-CG1 4.25Å; F154-V390 HydrophobicContact CE1-CB 3.7Å; F154-V390 HydrophobicContact CE1-CG1 3.67Å; F154-V390 HydrophobicContact CE2-CG1 4.23Å; F154-V390 HydrophobicContact CG-CG1 3.97Å; F154-V390 HydrophobicContact CZ-CB 3.9Å; F154-V390 HydrophobicContact CZ-CG1 3.95Å; F154-V390 HydrophobicContact CZ-CG2 4.32Å; V159-V390 HydrophobicContact CG2-CG1 4.01Å; V328-V390 HydrophobicContact CG2-CG1 4.07Å; V328-V390 HydrophobicContact CG2-CG2 3.61Å; I330-V390 HydrophobicContact CD1-CG1 4.15Å; L386-V390 HydrophobicContact CD1-CG2 3.87Å; L386-V390 HydrophobicContact CG-CG2 4.09Å; L386-V390 WeakPolarHBondContact O-CB 3.48Å; L386-V390 VanDerWaalsContact O-CG2 3.32Å; L386-V390 WeakPolarHBondContact O-CG2 3.23Å; L386-V390 PolarHBondContact O-N 2.68Å; V387-V390 PolarHBondContact O-N 3.05Å; V390-Y392 VanDerWaalsContact C-N 3.3Å; V390-Y392 PolarHBondContact O-N 2.98Å; V390-L393 PolarHBondContact O-N 2.77Å; V390-I394 HydrophobicContact CG1-CD1 3.94Å; V390-I394 WeakPolarHBondContact O-CG1 3.42Å; V390-I394 PolarHBondContact O-N 3.45Å
391	N	98.5	Very high	98.3	Very high	55 Å²	55	28.3 Å²	28.3	29%	0.294	14%	0.137	S	C	.	.	H	α-helix	trans	-60.9	-39.3	176.1	-78.8	-36.7	0	0	0	112.3	V387 G389 I394 D395	V387-N391 WeakPolarHBondContact O-CB 3.37Å; V387-N391 PolarHBondContact O-N 3.16Å; V387-N391 PolarHBondContact O-ND2 3.13Å; V387-N391 VanDerWaalsContact O-ND2 3.11Å; G389-N391 PolarHBondContact O-N 3.25Å; N391-I394 PolarHBondContact O-N 2.65Å; N391-D395 PolarHBondContact O-N 3.26Å
392	Y	98.5	Very high	98.4	Very high	55 Å²	55	32.7 Å²	32.7	22%	0.216	15%	0.151	C	C	.	.	H	α-helix	trans	-65.4	-42.9	174.3	-171.6	-94.7	0	0	0	112.5	I344 M348 D388 G389 V390 I394 D395 C396 K407 P409	I344-Y392 HydrophobicContact CG2-CD1 4.07Å; I344-Y392 HydrophobicContact CG2-CE1 3.97Å; M348-Y392 HydrophobicContact CE-CD1 4.06Å; M348-Y392 HydrophobicContact CE-CG 3.77Å; M348-Y392 HydrophobicContact SD-CD1 3.5Å; M348-Y392 WeakPolarHBondContact SD-CD1 3.49Å; M348-Y392 HydrophobicContact SD-CE1 4.34Å; M348-Y392 HydrophobicContact SD-CG 3.86Å; D388-Y392 PolarHBondContact O-N 2.79Å; G389-Y392 WeakPolarHBondContact O-CB 3.45Å; G389-Y392 PolarHBondContact O-N 3.44Å; V390-Y392 VanDerWaalsContact C-N 3.3Å; V390-Y392 PolarHBondContact O-N 2.98Å; Y392-I394 VanDerWaalsContact C-N 3.29Å; Y392-I394 PolarHBondContact O-N 2.6Å; Y392-D395 PolarHBondContact O-N 3.09Å; Y392-C396 WeakPolarHBondContact CE1-SG 3.22Å; Y392-C396 PolarHBondContact O-N 2.91Å; Y392-C396 PolarHBondContact O-SG 3.27Å; Y392-K407 PolarHBondContact OH-O 3.09Å; Y392-P409 HydrophobicContact CD1-CG 4.35Å; Y392-P409 HydrophobicContact CE1-CB 4.23Å; Y392-P409 HydrophobicContact CE1-CG 3.79Å; Y392-P409 HydrophobicContact CE2-CB 4.37Å
393	L	98.6	Very high	98.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.4	-40.6	176.3	-62.8	178.9	0	0	0	111.5	L332 L335 F341 I344 L345 L350 I369 G389 V390 C396 E397	L332-L393 HydrophobicContact CD1-CB 4.45Å; L332-L393 HydrophobicContact CD1-CD1 4.4Å; L332-L393 HydrophobicContact CD2-CB 4.46Å; L335-L393 HydrophobicContact CD2-CB 4.21Å; L335-L393 HydrophobicContact CD2-CD2 3.75Å; F341-L393 HydrophobicContact CE2-CD2 4.15Å; I344-L393 HydrophobicContact CG2-CD2 3.73Å; L345-L393 HydrophobicContact CD2-CD1 3.98Å; L345-L393 HydrophobicContact CD2-CD2 4.27Å; L350-L393 HydrophobicContact CD1-CD1 4.03Å; I369-L393 HydrophobicContact CG1-CD1 4.36Å; I369-L393 HydrophobicContact CG2-CD1 4Å; G389-L393 WeakPolarHBondContact O-CG 3.48Å; G389-L393 PolarHBondContact O-N 3.26Å; G389-L393 VanDerWaalsContact O-N 3.07Å; V390-L393 PolarHBondContact O-N 2.77Å; L393-C396 PolarHBondContact O-N 3.3Å; L393-E397 WeakPolarHBondContact O-CB 3.26Å; L393-E397 PolarHBondContact O-N 3.26Å
394	I	98.6	Very high	98.3	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.026	21%	0.209	C	C	.	.	H	α-helix	trans	-63.9	-42.8	175.3	-67.5	167.6	0	0	0	111	F154 D155 Y158 V159 I330 V390 N391 Y392 E397 K398	F154-I394 HydrophobicContact CB-CD1 4.32Å; D155-I394 HydrophobicContact CB-CD1 4.34Å; D155-I394 HydrophobicContact CB-CG2 4.21Å; Y158-I394 HydrophobicContact CD2-CG2 3.74Å; Y158-I394 HydrophobicContact CE2-CG2 4.06Å; Y158-I394 HydrophobicContact CG-CG1 4.36Å; Y158-I394 HydrophobicContact CG-CG2 4.25Å; V159-I394 HydrophobicContact CG2-CD1 4.07Å; I330-I394 HydrophobicContact CD1-CD1 4.29Å; I330-I394 HydrophobicContact CD1-CG1 3.68Å; V390-I394 HydrophobicContact CG1-CD1 3.94Å; V390-I394 WeakPolarHBondContact O-CG1 3.42Å; V390-I394 PolarHBondContact O-N 3.45Å; N391-I394 PolarHBondContact O-N 2.65Å; Y392-I394 VanDerWaalsContact C-N 3.29Å; Y392-I394 PolarHBondContact O-N 2.6Å; I394-E397 PolarHBondContact O-N 3.37Å; I394-K398 HydrophobicContact CG2-CD 4.03Å; I394-K398 HydrophobicContact CG2-CG 4.46Å; I394-K398 WeakPolarHBondContact O-CB 3.45Å; I394-K398 VanDerWaalsContact O-CG 3.31Å; I394-K398 WeakPolarHBondContact O-CG 3.27Å; I394-K398 PolarHBondContact O-N 3.22Å
395	D	98.6	Very high	98.3	Very high	60 Å²	60	44.7 Å²	44.7	32%	0.321	23%	0.231	S	C	.	.	H	α-helix	trans	-62.3	-42.9	175.6	176.8	63.6	0	0	0	112	N391 Y392 K398 K399	N391-D395 PolarHBondContact O-N 3.26Å; Y392-D395 PolarHBondContact O-N 3.09Å; D395-K398 PolarHBondContact O-N 3.44Å; D395-K399 WeakPolarHBondContact O-CG 3.46Å; D395-K399 PolarHBondContact O-N 3.38Å; D395-K399 IonicContact OD1-NZ 2.66Å; D395-K399 VanDerWaalsContact OD2-CE 3.23Å; D395-K399 WeakPolarHBondContact OD2-CE 3.29Å; D395-K399 IonicContact OD2-NZ 3.72Å; D395-K399 PolarHBondContact OD2-NZ 3.12Å
396	C	98.6	Very high	98.4	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.007	23%	0.228	C	C	.	.	H	α-helix	trans	-59.3	-47.7	173.6	-75.4	0	0	0	0	111.9	L335 Y392 L393 K398 K399 L400 I406	L335-C396 HydrophobicContact CD1-CB 4.15Å; L335-C396 HydrophobicContact CD2-CB 3.93Å; Y392-C396 WeakPolarHBondContact CE1-SG 3.22Å; Y392-C396 PolarHBondContact O-N 2.91Å; Y392-C396 PolarHBondContact O-SG 3.27Å; L393-C396 PolarHBondContact O-N 3.3Å; C396-K398 PolarHBondContact O-N 2.8Å; C396-K399 PolarHBondContact O-N 3Å; C396-L400 WeakPolarHBondContact O-CG 3.34Å; C396-L400 PolarHBondContact O-N 2.9Å; C396-I406 HydrophobicContact CB-CB 4.48Å; C396-I406 HydrophobicContact CB-CD1 4.34Å; C396-I406 HydrophobicContact CB-CG2 3.95Å
397	E	98.6	Very high	98.3	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59.1	-47.3	177.4	-175.4	61.7	-150.2	0	0	111.2	Y158 L332 P333 N334 L335 L393 I394 K399 L400 E401	Y158-E397 HydrophobicContact CD1-CB 4.49Å; Y158-E397 HydrophobicContact CD1-CG 3.88Å; Y158-E397 HydrophobicContact CE1-CB 4.2Å; Y158-E397 HydrophobicContact CE1-CG 3.48Å; Y158-E397 VanDerWaalsContact CE1-CG 3.48Å; L332-E397 WeakPolarHBondContact CA-OE2 3.46Å; L332-E397 HydrophobicContact CD2-CB 3.82Å; L332-E397 HydrophobicContact CD2-CG 4.11Å; P333-E397 WeakPolarHBondContact CD-OE1 3.49Å; P333-E397 VanDerWaalsContact CG-OE1 3.28Å; P333-E397 WeakPolarHBondContact CG-OE1 3.21Å; N334-E397 VanDerWaalsContact CB-OE1 3.32Å; N334-E397 WeakPolarHBondContact CB-OE1 3.26Å; N334-E397 PolarHBondContact N-OE1 3.47Å; N334-E397 PolarHBondContact N-OE2 3.23Å; N334-E397 PolarHBondContact ND2-OE1 3.44Å; L335-E397 VanDerWaalsContact CB-OE2 3.28Å; L335-E397 WeakPolarHBondContact CB-OE2 3.5Å; L335-E397 PolarHBondContact N-OE2 2.99Å; L393-E397 WeakPolarHBondContact O-CB 3.26Å; L393-E397 PolarHBondContact O-N 3.26Å; I394-E397 PolarHBondContact O-N 3.37Å; E397-K399 VanDerWaalsContact C-N 3.3Å; E397-K399 PolarHBondContact O-N 3.2Å; E397-L400 PolarHBondContact O-N 3.33Å; E397-E401 WeakPolarHBondContact O-CG 3.3Å; E397-E401 PolarHBondContact O-N 2.67Å
398	K	98.7	Very high	98.3	Very high	61 Å²	61	54.8 Å²	54.8	27%	0.265	28%	0.279	S	S	.	.	H	α-helix	trans	-59.5	-36.3	176.5	-77.4	175.2	178.9	179.5	0	113.1	D155 Y158 I394 D395 C396 R402	D155-K398 WeakPolarHBondContact OD2-CE 3.47Å; D155-K398 IonicContact OD2-NZ 2.62Å; D155-K398 PolarHBondContact OD2-NZ 3.27Å; Y158-K398 HydrophobicContact CE2-CD 4.35Å; Y158-K398 HydrophobicContact CE2-CG 4.01Å; Y158-K398 WeakPolarHBondContact OH-CG 3.35Å; I394-K398 HydrophobicContact CG2-CD 4.03Å; I394-K398 HydrophobicContact CG2-CG 4.46Å; I394-K398 WeakPolarHBondContact O-CB 3.45Å; I394-K398 VanDerWaalsContact O-CG 3.31Å; I394-K398 WeakPolarHBondContact O-CG 3.27Å; I394-K398 PolarHBondContact O-N 3.22Å; D395-K398 PolarHBondContact O-N 3.44Å; C396-K398 PolarHBondContact O-N 2.8Å; K398-R402 PolarHBondContact O-N 3.43Å; K398-R402 PolarHBondContact O-NH1 3.07Å; K398-R402 VanDerWaalsContact O-NH1 3.11Å
399	K	98.7	Very high	98.3	Very high	63 Å²	63	51.9 Å²	51.9	27%	0.274	27%	0.265	S	S	.	.	H	α-helix	trans	-68.2	-47.2	175.9	-79.1	170.4	177.7	162.4	0	111.2	D395 C396 E397 E401 R402 G403 Q404 I406	D395-K399 WeakPolarHBondContact O-CG 3.46Å; D395-K399 PolarHBondContact O-N 3.38Å; D395-K399 IonicContact OD1-NZ 2.66Å; D395-K399 VanDerWaalsContact OD2-CE 3.23Å; D395-K399 WeakPolarHBondContact OD2-CE 3.29Å; D395-K399 IonicContact OD2-NZ 3.72Å; D395-K399 PolarHBondContact OD2-NZ 3.12Å; C396-K399 PolarHBondContact O-N 3Å; E397-K399 VanDerWaalsContact C-N 3.3Å; E397-K399 PolarHBondContact O-N 3.2Å; K399-E401 VanDerWaalsContact C-N 3.32Å; K399-E401 PolarHBondContact O-N 3.28Å; K399-R402 CarbonylContact O-C 3.45Å; K399-R402 WeakPolarHBondContact O-CA 3.37Å; K399-R402 PolarHBondContact O-N 2.9Å; K399-G403 PolarHBondContact O-N 3.5Å; K399-Q404 HydrophobicContact CB-CB 4.04Å; K399-Q404 HydrophobicContact CG-CB 4.41Å; K399-Q404 WeakPolarHBondContact O-CB 3.29Å; K399-Q404 PolarHBondContact O-N 3.08Å; K399-I406 HydrophobicContact CB-CG2 3.85Å; K399-I406 HydrophobicContact CD-CG2 4.25Å
400	L	98.4	Very high	98.2	Very high	36 Å²	36	56.9 Å²	56.9	19%	0.188	30%	0.299	C	S	.	.	H	α-helix	trans	-63.3	-37.8	178.1	-66.7	173.5	0	0	0	112	N334 L335 C396 E397 R402 G403 I406	N334-L400 HydrophobicContact CB-CB 3.68Å; N334-L400 HydrophobicContact CB-CD1 4.07Å; L335-L400 HydrophobicContact CB-CD1 4.02Å; L335-L400 HydrophobicContact CD1-CD1 4.13Å; C396-L400 WeakPolarHBondContact O-CG 3.34Å; C396-L400 PolarHBondContact O-N 2.9Å; E397-L400 PolarHBondContact O-N 3.33Å; L400-R402 PolarHBondContact O-N 2.89Å; L400-G403 PolarHBondContact O-N 3.38Å; L400-I406 HydrophobicContact CD1-CD1 4.13Å; L400-I406 HydrophobicContact CD2-CG1 4.41Å; L400-I406 HydrophobicContact CD2-CG2 4.16Å; L400-I406 HydrophobicContact CG-CG2 3.96Å
401	E	97.9	Very high	98	Very high	81 Å²	81	61.2 Å²	61.2	38%	0.379	33%	0.328	S	S	.	.	H	α-helix	trans	-56.1	-31.2	171.9	-76.9	179.6	-173.4	0	0	112.8	K157 Y158 E397 K399	K157-E401 IonicContact NZ-OE1 2.67Å; K157-E401 PolarHBondContact NZ-OE1 3.48Å; K157-E401 IonicContact NZ-OE2 3.34Å; K157-E401 PolarHBondContact NZ-OE2 2.81Å; Y158-E401 WeakPolarHBondContact CE1-OE1 3.44Å; Y158-E401 PolarHBondContact OH-OE1 2.89Å; Y158-E401 PolarHBondContact OH-OE2 2.83Å; E397-E401 WeakPolarHBondContact O-CG 3.3Å; E397-E401 PolarHBondContact O-N 2.67Å; K399-E401 VanDerWaalsContact C-N 3.32Å; K399-E401 PolarHBondContact O-N 3.28Å
402	R	98.3	Very high	97.7	Very high	138 Å²	138	62.1 Å²	62.1	52%	0.521	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	7.4	177.7	-65	-173.8	-61.2	-90.2	-2.4	113.6	K398 K399 L400 Q404	K398-R402 PolarHBondContact O-N 3.43Å; K398-R402 PolarHBondContact O-NH1 3.07Å; K398-R402 VanDerWaalsContact O-NH1 3.11Å; K399-R402 CarbonylContact O-C 3.45Å; K399-R402 WeakPolarHBondContact O-CA 3.37Å; K399-R402 PolarHBondContact O-N 2.9Å; L400-R402 PolarHBondContact O-N 2.89Å; R402-Q404 VanDerWaalsContact C-N 3.26Å; R402-Q404 HydrophobicContact CB-CG 4.08Å; R402-Q404 VanDerWaalsContact NE-OE1 3.08Å; R402-Q404 PolarHBondContact O-N 3.49Å
403	G	97.8	Very high	97.1	Very high	74 Å²	74	62.9 Å²	62.9	76%	0.763	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	23.7	-175.2	0	0	0	0	0	114.1	K399 L400	K399-G403 PolarHBondContact O-N 3.5Å; L400-G403 PolarHBondContact O-N 3.38Å
404	Q	98.4	Very high	96.1	Very high	94 Å²	94	64.6 Å²	64.6	44%	0.439	36%	0.358	S	S	.	.			trans	-95	149.2	178.7	-61.5	175.1	-27.2	0	0	111	K399 R402	K399-Q404 HydrophobicContact CB-CB 4.04Å; K399-Q404 HydrophobicContact CG-CB 4.41Å; K399-Q404 WeakPolarHBondContact O-CB 3.29Å; K399-Q404 PolarHBondContact O-N 3.08Å; R402-Q404 VanDerWaalsContact C-N 3.26Å; R402-Q404 HydrophobicContact CB-CG 4.08Å; R402-Q404 VanDerWaalsContact NE-OE1 3.08Å; R402-Q404 PolarHBondContact O-N 3.49Å
405	D	97.9	Very high	95.2	Very high	115 Å²	115	66.5 Å²	66.5	62%	0.615	37%	0.366	S	S	*	.			trans	-74.1	153.3	176.2	-169.7	34.7	0	0	0	112.5	R340	R340-D405 IonicContact CZ-OD1 3.85Å; R340-D405 IonicContact NH1-OD1 3.32Å; R340-D405 PolarHBondContact NH1-OD1 3.25Å; R340-D405 IonicContact NH1-OD2 3.08Å; R340-D405 IonicContact NH2-OD1 2.79Å; R340-D405 PolarHBondContact NH2-OD1 2.83Å
406	I	98.4	Very high	93.7	Very high	3 Å²	3	73.6 Å²	73.6	2%	0.015	39%	0.388	C	S	.	.			trans	-116.7	161.5	177.9	61.1	167.8	0	0	0	110.7	L335 R340 I344 C396 K399 L400	L335-I406 HydrophobicContact CD1-CD1 3.53Å; R340-I406 VanDerWaalsContact CZ-CG1 3.47Å; R340-I406 PolarHBondContact NH1-O 3.47Å; R340-I406 VanDerWaalsContact NH2-CG1 3.29Å; I344-I406 HydrophobicContact CD1-CD1 3.95Å; C396-I406 HydrophobicContact CB-CB 4.48Å; C396-I406 HydrophobicContact CB-CD1 4.34Å; C396-I406 HydrophobicContact CB-CG2 3.95Å; K399-I406 HydrophobicContact CB-CG2 3.85Å; K399-I406 HydrophobicContact CD-CG2 4.25Å; L400-I406 HydrophobicContact CD1-CD1 4.13Å; L400-I406 HydrophobicContact CD2-CG1 4.41Å; L400-I406 HydrophobicContact CD2-CG2 4.16Å; L400-I406 HydrophobicContact CG-CG2 3.96Å
407	K	97.5	Very high	91.3	Very high	165 Å²	165	86.9 Å²	86.9	72%	0.717	45%	0.446	S	S	*	.			trans	-113	158.5	177.1	-65.3	-174.2	-180	-178.5	0	110.1	Y392	Y392-K407 PolarHBondContact OH-O 3.09Å
408	V	98.2	Very high	91	Very high	59 Å²	59	91.2 Å²	91.2	36%	0.358	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-87.4	123.9	165.7	179.2	0	0	0	0	106.9	R340 K343 I344 N347	R340-V408 HydrophobicContact CB-CG2 3.97Å; R340-V408 HydrophobicContact CG-CG2 4.18Å; K343-V408 HydrophobicContact CB-CG1 4.44Å; K343-V408 HydrophobicContact CG-CG1 3.78Å; I344-V408 HydrophobicContact CG1-CG2 4.3Å; N347-V408 WeakPolarHBondContact ND2-CG1 3.36Å
409	P	97.2	Very high	90.6	Very high	24 Å²	24	92.8 Å²	92.8	16%	0.156	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-69.2	156.2	179.4	29.5	-32.9	0	0	0	110.3	I344 N347 M348 Y392	I344-P409 HydrophobicContact CG2-CG 4.32Å; N347-P409 HydrophobicContact CB-CG 4.43Å; N347-P409 PolarHBondContact ND2-O 3.11Å; M348-P409 HydrophobicContact CG-CG 3.63Å; M348-P409 HydrophobicContact SD-CG 4.08Å; Y392-P409 HydrophobicContact CD1-CG 4.35Å; Y392-P409 HydrophobicContact CE1-CB 4.23Å; Y392-P409 HydrophobicContact CE1-CG 3.79Å; Y392-P409 HydrophobicContact CE2-CB 4.37Å
410	S	96.7	Very high	90.1	Very high	105 Å²	105	94.4 Å²	94.4	73%	0.734	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-61.7	144.7	172.8	-60.8	0	0	0	0	110.9	I412	S410-I412 PolarHBondContact O-N 2.61Å
411	P	94.7	Very high	89.6	Confident	92 Å²	92	97.9 Å²	97.9	60%	0.597	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-60.5	131.9	177.2	-19.5	29.5	0	0	0	112.3	N347	N347-P411 HydrophobicContact CB-CB 4.43Å; N347-P411 HydrophobicContact CB-CG 4.49Å
412	I	91.9	Very high	89.1	Confident	73 Å²	73	98.9 Å²	98.9	37%	0.374	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-72.5	133.3	172	-60.1	174.5	0	0	0	108.8	N347 R349 L385 S410	N347-I412 PolarHBondContact O-N 3.1Å; R349-I412 HydrophobicContact CG-CB 4.02Å; R349-I412 HydrophobicContact CG-CG2 4.43Å; L385-I412 HydrophobicContact CD1-CD1 4.25Å; L385-I412 HydrophobicContact CD1-CG2 4.4Å; L385-I412 HydrophobicContact CG-CD1 4.2Å; S410-I412 PolarHBondContact O-N 2.61Å
413	A	85.7	Confident	88.5	Confident	72 Å²	72	96.3 Å²	96.3	60%	0.595	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-59.6	140.9	176.2	0	0	0	0	0	111.6
414	Q	78.2	Confident	87.8	Confident	35 Å²	35	97.9 Å²	97.9	16%	0.164	50%	0.498	C	S	.	.	S	Bend	trans	-69.1	-46.7	-176.8	-177.2	61.8	18.1	0	0	112.2	H130 N131 D373 K377	H130-Q414 PolarHBondContact O-NE2 3.2Å; N131-Q414 HydrophobicContact CB-CG 4.21Å; D373-Q414 PolarHBondContact OD1-NE2 2.82Å; K377-Q414 WeakPolarHBondContact CE-O 3.48Å
415	F	79.3	Confident	87	Confident	45 Å²	45	98.2 Å²	98.2	20%	0.197	50%	0.502	C	S	.	.	S	Bend	trans	-127.8	152	178.6	-53.3	-63.6	0	0	0	109.1	Y133 M138 K417	Y133-F415 VanDerWaalsContact CA-CZ 3.43Å; Y133-F415 AromaticContact CD2-CE1 3.92Å; Y133-F415 HydrophobicContact CD2-CE1 3.92Å; Y133-F415 HydrophobicContact CD2-CZ 4.32Å; Y133-F415 HydrophobicContact CG-CE1 4.43Å; Y133-F415 HydrophobicContact CG-CZ 4.44Å; M138-F415 HydrophobicContact CE-CB 4.15Å; M138-F415 HydrophobicContact CE-CD1 3.79Å; M138-F415 HydrophobicContact CE-CD2 3.95Å; M138-F415 HydrophobicContact CE-CE1 4.22Å; M138-F415 HydrophobicContact CE-CE2 4.35Å; M138-F415 HydrophobicContact CE-CG 3.67Å; M138-F415 HydrophobicContact CE-CZ 4.49Å; F415-K417 PolarHBondContact O-N 3.19Å
416	R	66.1	Low	86.1	Confident	209 Å²	209	96.8 Å²	96.8	79%	0.789	49%	0.493	S	S	*	.			trans	-62.4	135.3	166.7	-63.4	-175.4	-173.6	-158.4	-1	107.5	E381	E381-R416 IonicContact OE1-CZ 3.56Å; E381-R416 IonicContact OE1-NE 2.83Å; E381-R416 PolarHBondContact OE1-NE 3.29Å; E381-R416 IonicContact OE1-NH2 3.69Å; E381-R416 PolarHBondContact OE1-NH2 3.04Å
417	K	49.3	Very low	85	Confident	280 Å²	280	105.4 Å²	105.4	100%	1.217	54%	0.536	S	S	*	.			trans	-65.8	0	176.6	-79.8	-173.7	176.6	-178.3	0	111.4	F415	F415-K417 PolarHBondContact O-N 3.19Å

Retrieved 417 of 417 residues in 166 ms (Link to these results)

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