A0A096MMN6_PAPAN Loading...

Mitochondrial amidoxime reducing component 2

Catalyzes the reduction of N-oxygenated molecules, acting as a counterpart of cytochrome P450 and flavin-containing monooxygenases in metabolic cycles. As a component of prodrug-converting system, reduces a multitude of N-hydroxylated prodrugs particularly amidoximes, leading to increased drug bioavailability. May be involved in mitochondrial N(omega)-hydroxy-L-arginine (NOHA) reduction, regulating endogenous nitric oxide levels and biosynthesis. Postulated to cleave the N-OH bond of N-hydroxylated substrates in concert with electron transfer from NADH to cytochrome b5 reductase then to cytochrome b5, the ultimate electron donor that primes the active site for substrate reduction.

AlphaFold DB , UniProt , Accession A0A096MMN6, Species PAPAN (Papio anubis, Olive baboon), Gene MTARC2, Length 335 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	35	Very low	36	Very low	248 Å²	248	136.6 Å²	136.6	100%	1.222	86%	0.861	S	S	*	*				0	136.2	0	-62.7	177.9	-175.3	0	0	107.4
2	G	34.5	Very low	36.3	Very low	73 Å²	73	140.3 Å²	140.3	75%	0.753	87%	0.868	S	S	*	*			trans	72.2	128.3	-174.9	0	0	0	0	0	113.4
3	A	36.9	Very low	36.4	Very low	101 Å²	101	134.6 Å²	134.6	84%	0.835	85%	0.854	S	S	*	*			cis	64.5	139.6	47.9	0	0	0	0	0	112.6
4	S	35.8	Very low	36.5	Very low	114 Å²	114	137.8 Å²	137.8	80%	0.797	86%	0.86	S	S	*	*			cis	-169.5	170.5	-6.8	44.4	0	0	0	0	108.3
5	S	32.4	Very low	37	Very low	121 Å²	121	136.3 Å²	136.3	85%	0.846	85%	0.852	S	S	*	*			cis	-144.4	-107.5	8.5	17.6	0	0	0	0	113
6	S	34.7	Very low	38	Very low	107 Å²	107	134.2 Å²	134.2	75%	0.748	85%	0.852	S	S	*	*			trans	-158.5	163.1	-174.6	-164.1	0	0	0	0	116
7	S	36.8	Very low	38.7	Very low	110 Å²	110	137.6 Å²	137.6	77%	0.769	86%	0.855	S	S	*	*			trans	63	132.5	152.2	69.7	0	0	0	0	123
8	A	33.4	Very low	39.6	Very low	95 Å²	95	135.1 Å²	135.1	79%	0.785	85%	0.85	S	S	*	*				157.7	129.6	102.9	0	0	0	0	0	112.9
9	L	36.1	Very low	40.6	Very low	183 Å²	183	140.4 Å²	140.4	96%	0.958	85%	0.852	S	S	*	*			trans	-153.6	115.3	159.1	-103.7	174.8	0	0	0	109.8
10	A	37.2	Very low	41.1	Very low	97 Å²	97	136.5 Å²	136.5	80%	0.802	83%	0.83	S	S	*	*			trans	-140	147.9	176.7	0	0	0	0	0	111.6
11	R	42.8	Very low	41.8	Very low	254 Å²	254	140.9 Å²	140.9	96%	0.958	83%	0.831	S	S	*	*			trans	-50	135.4	-168.4	-62.1	169.3	174.8	-176.2	-3.9	115.2
12	L	39.6	Very low	42.6	Very low	181 Å²	181	137.2 Å²	137.2	95%	0.948	80%	0.804	S	S	*	*			trans	-85.5	122	163.5	-83.9	161	0	0	0	110.8
13	G	37.9	Very low	43.5	Very low	66 Å²	66	137.9 Å²	137.9	68%	0.68	79%	0.79	S	S	*	*			trans	-105.2	137.3	161.9	0	0	0	0	0	110.1
14	L	37.9	Very low	44.3	Very low	179 Å²	179	135 Å²	135	94%	0.937	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-81.8	126	177.7	-75.4	164.3	0	0	0	110.8
15	P	43.3	Very low	45.4	Very low	115 Å²	115	134.6 Å²	134.6	75%	0.747	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-82.5	145.1	172.8	32.7	-33	0	0	0	111.7
16	A	53.7	Low	46.8	Very low	103 Å²	103	131 Å²	131	85%	0.851	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-68.2	131.6	174.5	0	0	0	0	0	111.4	A18	A16-A18 PolarHBondContact O-N 2.78Å
17	Q	50.2	Low	48.1	Very low	192 Å²	192	130.6 Å²	130.6	90%	0.897	73%	0.733	S	S	*	*			trans	-67.8	113.3	177.4	-75.5	-179.2	-19.3	0	0	111.4	R19	Q17-R19 PolarHBondContact O-N 3.37Å
18	A	55.3	Low	49.4	Very low	93 Å²	93	131.4 Å²	131.4	77%	0.769	73%	0.729	S	S	*	*			trans	-67.5	113.6	170.4	0	0	0	0	0	110.2	A16	A16-A18 PolarHBondContact O-N 2.78Å
19	R	57.5	Low	51	Low	235 Å²	235	128.6 Å²	128.6	89%	0.887	71%	0.709	S	S	*	*			trans	-60.9	123.7	171.2	-72.7	-174.3	176.5	-174.3	-0.5	109.1	Q17 R21	Q17-R19 PolarHBondContact O-N 3.37Å; R19-R21 PolarHBondContact O-N 2.86Å
20	P	51.9	Low	52.7	Low	63 Å²	63	126 Å²	126	41%	0.409	70%	0.695	S	S	.	*			trans	-77.4	128.4	-168.2	32.1	-36.9	0	0	0	110.8	W22 L23	P20-W22 PolarHBondContact O-N 3.06Å; P20-L23 HydrophobicContact CG-CD1 3.98Å; P20-L23 PolarHBondContact O-N 3.24Å; P20-L23 VanDerWaalsContact O-N 3.17Å
21	R	55.4	Low	54.2	Low	228 Å²	228	123.5 Å²	123.5	86%	0.86	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	-21.3	-167.3	-64.7	169.4	88.8	162.8	3.5	114.2	R19 L23 G24 V25	R19-R21 PolarHBondContact O-N 2.86Å; R21-L23 VanDerWaalsContact C-N 3.3Å; R21-L23 PolarHBondContact O-N 2.91Å; R21-G24 PolarHBondContact O-N 3.45Å; R21-V25 PolarHBondContact O-N 3.02Å
22	W	51.7	Low	55.7	Low	172 Å²	172	114.4 Å²	114.4	65%	0.652	65%	0.653	S	S	*	*	H	α-helix	trans	-63.6	-30.1	178.4	66.2	-98	0	0	0	113.7	P20 G24 V25 A26	P20-W22 PolarHBondContact O-N 3.06Å; W22-G24 VanDerWaalsContact C-N 3.33Å; W22-G24 PolarHBondContact O-N 3.48Å; W22-V25 PolarHBondContact O-N 2.93Å; W22-A26 WeakPolarHBondContact O-CB 3.44Å; W22-A26 PolarHBondContact O-N 3.07Å
23	L	52.3	Low	57.5	Low	86 Å²	86	110.8 Å²	110.8	45%	0.45	64%	0.639	S	S	.	*	H	α-helix	trans	-63	-39.1	176.7	-78.4	165.5	0	0	0	112	P20 R21 A26 V27	P20-L23 HydrophobicContact CG-CD1 3.98Å; P20-L23 PolarHBondContact O-N 3.24Å; P20-L23 VanDerWaalsContact O-N 3.17Å; R21-L23 VanDerWaalsContact C-N 3.3Å; R21-L23 PolarHBondContact O-N 2.91Å; L23-A26 PolarHBondContact O-N 2.83Å; L23-V27 VanDerWaalsContact O-CG2 3.31Å; L23-V27 WeakPolarHBondContact O-CG2 3Å; L23-V27 PolarHBondContact O-N 2.81Å
24	G	54.9	Low	59.3	Low	42 Å²	42	110.3 Å²	110.3	43%	0.433	63%	0.628	S	S	.	*	H	α-helix	trans	-66.1	-40.8	175.9	0	0	0	0	0	112.4	R21 W22 L28	R21-G24 PolarHBondContact O-N 3.45Å; W22-G24 VanDerWaalsContact C-N 3.33Å; W22-G24 PolarHBondContact O-N 3.48Å; G24-L28 WeakPolarHBondContact O-CB 3.24Å; G24-L28 VanDerWaalsContact O-CG 3.29Å; G24-L28 WeakPolarHBondContact O-CG 3.42Å; G24-L28 PolarHBondContact O-N 3.49Å
25	V	59	Low	61.2	Low	104 Å²	104	107.7 Å²	107.7	63%	0.63	62%	0.615	S	S	*	*	H	α-helix	trans	-66.6	-41.8	177.4	-179.1	0	0	0	0	111.3	R21 W22 L28 G29	R21-V25 PolarHBondContact O-N 3.02Å; W22-V25 PolarHBondContact O-N 2.93Å; V25-L28 PolarHBondContact O-N 2.97Å; V25-G29 PolarHBondContact O-N 3.44Å
26	A	60.1	Low	62.8	Low	47 Å²	47	104 Å²	104	39%	0.388	60%	0.597	S	S	.	*	H	α-helix	trans	-64.2	-42.7	177.1	0	0	0	0	0	112.5	W22 L23 G29 L30	W22-A26 WeakPolarHBondContact O-CB 3.44Å; W22-A26 PolarHBondContact O-N 3.07Å; L23-A26 PolarHBondContact O-N 2.83Å; A26-G29 PolarHBondContact O-N 2.82Å; A26-L30 WeakPolarHBondContact O-CG 3.39Å; A26-L30 PolarHBondContact O-N 3.4Å
27	V	62.5	Low	63.7	Low	97 Å²	97	101.6 Å²	101.6	59%	0.588	58%	0.578	S	S	*	*	H	α-helix	trans	-65.9	-42.3	176.7	170.7	0	0	0	0	111.5	L23 L30 A31	L23-V27 VanDerWaalsContact O-CG2 3.31Å; L23-V27 WeakPolarHBondContact O-CG2 3Å; L23-V27 PolarHBondContact O-N 2.81Å; V27-L30 PolarHBondContact O-N 3.38Å; V27-A31 WeakPolarHBondContact O-CB 3.32Å; V27-A31 PolarHBondContact O-N 2.82Å
28	L	65.3	Low	64.9	Low	128 Å²	128	95.9 Å²	95.9	67%	0.67	56%	0.556	S	S	*	*	H	α-helix	trans	-64.4	-39.9	175.1	-73.2	168.5	0	0	0	112.1	G24 V25 A31 A32	G24-L28 WeakPolarHBondContact O-CB 3.24Å; G24-L28 VanDerWaalsContact O-CG 3.29Å; G24-L28 WeakPolarHBondContact O-CG 3.42Å; G24-L28 PolarHBondContact O-N 3.49Å; V25-L28 PolarHBondContact O-N 2.97Å; L28-A31 PolarHBondContact O-N 2.91Å; L28-A32 WeakPolarHBondContact O-CB 3.34Å; L28-A32 PolarHBondContact O-N 2.92Å
29	G	66.6	Low	65.8	Low	36 Å²	36	94.1 Å²	94.1	37%	0.371	54%	0.541	S	S	.	.	H	α-helix	trans	-62	-47.2	174.8	0	0	0	0	0	112.7	V25 A26 A31 A32 V33	V25-G29 PolarHBondContact O-N 3.44Å; A26-G29 PolarHBondContact O-N 2.82Å; G29-A31 PolarHBondContact O-N 3.1Å; G29-A32 PolarHBondContact O-N 2.94Å; G29-V33 WeakPolarHBondContact O-CG2 3.45Å; G29-V33 PolarHBondContact O-N 3.43Å
30	L	70.6	Confident	66.3	Low	128 Å²	128	91 Å²	91	67%	0.67	53%	0.529	S	S	*	.	H	α-helix	trans	-63.2	-40.8	175.9	-75.6	167.8	0	0	0	112.3	A26 V27 V33 A34	A26-L30 WeakPolarHBondContact O-CG 3.39Å; A26-L30 PolarHBondContact O-N 3.4Å; V27-L30 PolarHBondContact O-N 3.38Å; L30-V33 PolarHBondContact O-N 3.45Å; L30-A34 WeakPolarHBondContact O-CB 3.38Å; L30-A34 PolarHBondContact O-N 3.37Å
31	A	69.5	Low	66.9	Low	45 Å²	45	98.7 Å²	98.7	37%	0.372	55%	0.55	S	S	.	*	H	α-helix	trans	-63.6	-42.2	175	0	0	0	0	0	111.9	V27 L28 G29 A34 L35	V27-A31 WeakPolarHBondContact O-CB 3.32Å; V27-A31 PolarHBondContact O-N 2.82Å; L28-A31 PolarHBondContact O-N 2.91Å; G29-A31 PolarHBondContact O-N 3.1Å; A31-A34 PolarHBondContact O-N 3.44Å; A31-L35 WeakPolarHBondContact O-CB 3.46Å; A31-L35 VanDerWaalsContact O-CG 3.27Å; A31-L35 WeakPolarHBondContact O-CG 3.34Å; A31-L35 PolarHBondContact O-N 2.87Å
32	A	73.9	Confident	67.2	Low	62 Å²	62	98.1 Å²	98.1	51%	0.512	55%	0.548	S	S	.	.	H	α-helix	trans	-64.7	-40.4	176.1	0	0	0	0	0	112.4	L28 G29 G36	L28-A32 WeakPolarHBondContact O-CB 3.34Å; L28-A32 PolarHBondContact O-N 2.92Å; G29-A32 PolarHBondContact O-N 2.94Å; A32-G36 PolarHBondContact O-N 3.39Å
33	V	77.6	Confident	67.5	Low	105 Å²	105	93.7 Å²	93.7	64%	0.636	55%	0.548	S	S	*	.	H	α-helix	trans	-66.2	-42.3	174.4	171.6	0	0	0	0	111.4	G29 L30 G36 A37	G29-V33 WeakPolarHBondContact O-CG2 3.45Å; G29-V33 PolarHBondContact O-N 3.43Å; L30-V33 PolarHBondContact O-N 3.45Å; V33-G36 PolarHBondContact O-N 2.93Å; V33-A37 VanDerWaalsContact O-CB 3.31Å; V33-A37 WeakPolarHBondContact O-CB 3.5Å; V33-A37 PolarHBondContact O-N 2.79Å
34	A	75.4	Confident	67.2	Low	56 Å²	56	97.3 Å²	97.3	46%	0.463	56%	0.556	S	S	.	*	H	α-helix	trans	-65.3	-44.6	177	0	0	0	0	0	112.1	L30 A31 A37 V38	L30-A34 WeakPolarHBondContact O-CB 3.38Å; L30-A34 PolarHBondContact O-N 3.37Å; A31-A34 PolarHBondContact O-N 3.44Å; A34-A37 PolarHBondContact O-N 2.64Å; A34-V38 WeakPolarHBondContact O-CB 3.27Å; A34-V38 WeakPolarHBondContact O-CG2 3.18Å; A34-V38 PolarHBondContact O-N 3.01Å
35	L	78.1	Confident	66.9	Low	124 Å²	124	100.3 Å²	100.3	65%	0.649	57%	0.568	S	S	*	*	H	α-helix	trans	-64	-41.6	174.5	-73.4	169.7	0	0	0	111.5	A31 V38 A39	A31-L35 WeakPolarHBondContact O-CB 3.46Å; A31-L35 VanDerWaalsContact O-CG 3.27Å; A31-L35 WeakPolarHBondContact O-CG 3.34Å; A31-L35 PolarHBondContact O-N 2.87Å; L35-V38 PolarHBondContact O-N 3.32Å; L35-A39 WeakPolarHBondContact O-CB 3.36Å; L35-A39 PolarHBondContact O-N 3.31Å
36	G	77.4	Confident	66.8	Low	37 Å²	37	106.7 Å²	106.7	38%	0.381	58%	0.58	S	S	.	*	H	α-helix	trans	-60.8	-44.2	173.7	0	0	0	0	0	112.3	A32 V33 A39 W40	A32-G36 PolarHBondContact O-N 3.39Å; V33-G36 PolarHBondContact O-N 2.93Å; G36-A39 PolarHBondContact O-N 3.23Å; G36-W40 WeakPolarHBondContact O-CB 3.45Å; G36-W40 PolarHBondContact O-N 2.88Å
37	A	73.3	Confident	66.5	Low	54 Å²	54	115.6 Å²	115.6	45%	0.446	60%	0.604	S	S	.	*	H	α-helix	trans	-68	-35.5	176.7	0	0	0	0	0	112.9	V33 A34 R41	V33-A37 VanDerWaalsContact O-CB 3.31Å; V33-A37 WeakPolarHBondContact O-CB 3.5Å; V33-A37 PolarHBondContact O-N 2.79Å; A34-A37 PolarHBondContact O-N 2.64Å; A37-R41 WeakPolarHBondContact O-CB 3.2Å; A37-R41 PolarHBondContact O-N 3.49Å
38	V	74.6	Confident	66.3	Low	72 Å²	72	122.6 Å²	122.6	44%	0.436	62%	0.62	S	S	.	*	H	α-helix	trans	-72	-42.8	174.3	169.4	0	0	0	0	111.3	A34 L35 R41 R42	A34-V38 WeakPolarHBondContact O-CB 3.27Å; A34-V38 WeakPolarHBondContact O-CG2 3.18Å; A34-V38 PolarHBondContact O-N 3.01Å; L35-V38 PolarHBondContact O-N 3.32Å; V38-R41 PolarHBondContact O-N 3.12Å; V38-R42 WeakPolarHBondContact O-CB 3.17Å; V38-R42 WeakPolarHBondContact O-CG 3.27Å; V38-R42 PolarHBondContact O-N 2.9Å
39	A	73.9	Confident	66.8	Low	55 Å²	55	122.3 Å²	122.3	46%	0.455	61%	0.61	S	S	.	*	H	α-helix	trans	-62.8	-45.5	174.7	0	0	0	0	0	110.5	L35 G36 R42 A43	L35-A39 WeakPolarHBondContact O-CB 3.36Å; L35-A39 PolarHBondContact O-N 3.31Å; G36-A39 PolarHBondContact O-N 3.23Å; A39-R42 CarbonylContact O-C 3.59Å; A39-R42 PolarHBondContact O-N 3.02Å; A39-A43 WeakPolarHBondContact O-CB 3.1Å; A39-A43 PolarHBondContact O-N 3.08Å
40	W	67.9	Low	68	Low	169 Å²	169	129.3 Å²	129.3	64%	0.64	63%	0.625	S	S	*	*	H	α-helix	trans	-62.3	-46.7	173.7	-161.9	-19.2	0	0	0	110.7	G36 R42 A43 W44	G36-W40 WeakPolarHBondContact O-CB 3.45Å; G36-W40 PolarHBondContact O-N 2.88Å; W40-R42 PolarHBondContact O-N 2.96Å; W40-A43 CarbonylContact O-C 3.6Å; W40-A43 PolarHBondContact O-N 3.5Å; W40-W44 AromaticContact CD1-CE3 3.4Å; W40-W44 AromaticContact CE2-CE3 3.91Å; W40-W44 AromaticContact CE2-CZ3 3.7Å; W40-W44 HydrophobicContact CG-CE3 4.41Å; W40-W44 AromaticContact CZ2-CZ3 3.95Å; W40-W44 HydrophobicContact CZ2-CZ3 3.95Å; W40-W44 AromaticContact NE1-CD2 3.9Å; W40-W44 AromaticContact NE1-CE3 3Å; W40-W44 AromaticContact NE1-CZ3 3.22Å; W40-W44 VanDerWaalsContact O-CB 3.26Å; W40-W44 WeakPolarHBondContact O-CB 3.21Å; W40-W44 PolarHBondContact O-N 3.47Å
41	R	64.2	Low	69.2	Low	226 Å²	226	127 Å²	127	85%	0.853	61%	0.613	S	S	*	*	H	α-helix	trans	-59.2	-28.9	174.1	-96.4	-174.9	168.3	-176.2	-2.4	114.4	A37 V38	A37-R41 WeakPolarHBondContact O-CB 3.2Å; A37-R41 PolarHBondContact O-N 3.49Å; V38-R41 PolarHBondContact O-N 3.12Å
42	R	63.1	Low	70.5	Confident	216 Å²	216	129.8 Å²	129.8	82%	0.815	62%	0.618	S	S	*	*	H	α-helix	trans	-84.9	-31.1	176.4	-74.5	177.9	173.8	-179.3	-1.4	113.2	V38 A39 W40	V38-R42 WeakPolarHBondContact O-CB 3.17Å; V38-R42 WeakPolarHBondContact O-CG 3.27Å; V38-R42 PolarHBondContact O-N 2.9Å; A39-R42 CarbonylContact O-C 3.59Å; A39-R42 PolarHBondContact O-N 3.02Å; W40-R42 PolarHBondContact O-N 2.96Å
43	A	56.7	Low	71.6	Confident	78 Å²	78	131.8 Å²	131.8	65%	0.645	62%	0.617	S	S	*	*	H	α-helix	trans	-93	-18.5	-179.3	0	0	0	0	0	113.5	A39 W40 P45	A39-A43 WeakPolarHBondContact O-CB 3.1Å; A39-A43 PolarHBondContact O-N 3.08Å; W40-A43 CarbonylContact O-C 3.6Å; W40-A43 PolarHBondContact O-N 3.5Å; A43-P45 WeakPolarHBondContact O-CD 3.5Å; A43-P45 VanDerWaalsContact O-N 3.11Å
44	W	47.7	Very low	72.6	Confident	163 Å²	163	127.1 Å²	127.1	62%	0.617	59%	0.589	S	S	*	*	S	Bend	trans	-60.7	114.4	171.4	-160.9	-54.8	0	0	0	106.6	W40 R46	W40-W44 AromaticContact CD1-CE3 3.4Å; W40-W44 AromaticContact CE2-CE3 3.91Å; W40-W44 AromaticContact CE2-CZ3 3.7Å; W40-W44 HydrophobicContact CG-CE3 4.41Å; W40-W44 AromaticContact CZ2-CZ3 3.95Å; W40-W44 HydrophobicContact CZ2-CZ3 3.95Å; W40-W44 AromaticContact NE1-CD2 3.9Å; W40-W44 AromaticContact NE1-CE3 3Å; W40-W44 AromaticContact NE1-CZ3 3.22Å; W40-W44 VanDerWaalsContact O-CB 3.26Å; W40-W44 WeakPolarHBondContact O-CB 3.21Å; W40-W44 PolarHBondContact O-N 3.47Å; W44-R46 PolarHBondContact O-N 3Å
45	P	48.2	Very low	73.7	Confident	105 Å²	105	124.7 Å²	124.7	68%	0.682	57%	0.569	S	S	*	*			trans	-61.2	116.7	179.5	-18.3	30.9	0	0	0	107	A43 R47	A43-P45 WeakPolarHBondContact O-CD 3.5Å; A43-P45 VanDerWaalsContact O-N 3.11Å; P45-R47 PolarHBondContact O-N 3.42Å
46	R	57.2	Low	74.7	Confident	238 Å²	238	121 Å²	121	90%	0.898	55%	0.551	S	S	*	*			trans	-47.3	112	169.2	-81.4	-178.3	172.4	152.3	-4.4	105.9	W44 R48	W44-R46 PolarHBondContact O-N 3Å; R46-R48 PolarHBondContact O-N 2.84Å
47	R	53.4	Low	75.7	Confident	234 Å²	234	119.3 Å²	119.3	88%	0.883	53%	0.534	S	S	*	.			trans	-48.1	116.6	-172.6	-159.5	-176.6	-159.6	-173.4	5.6	105.6	P45 R49	P45-R47 PolarHBondContact O-N 3.42Å; R47-R49 PolarHBondContact O-N 3.02Å
48	R	58.6	Low	77	Confident	244 Å²	244	118.3 Å²	118.3	92%	0.921	53%	0.526	S	S	*	.			trans	-55.2	105.5	-173.6	-87.2	-175.9	172.6	177.9	-2.4	106.5	R46 R50	R46-R48 PolarHBondContact O-N 2.84Å; R48-R50 PolarHBondContact O-N 3.35Å
49	R	75.8	Confident	78.1	Confident	121 Å²	121	119.4 Å²	119.4	46%	0.457	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-53.2	124.2	177.7	-79.8	175.5	163.9	160.8	-10.6	106.3	R47 L51 E255 E262 M334	R47-R49 PolarHBondContact O-N 3.02Å; R49-L51 PolarHBondContact O-N 3.38Å; R49-E255 IonicContact CZ-OE2 3.62Å; R49-E255 VanDerWaalsContact CZ-OE2 3.3Å; R49-E255 IonicContact NE-OE2 3.05Å; R49-E255 IonicContact NH2-OE1 3.99Å; R49-E255 IonicContact NH2-OE2 3.54Å; R49-E255 PolarHBondContact NH2-OE2 2.79Å; R49-E262 IonicContact CZ-OE2 2.67Å; R49-E262 IonicContact NH1-OE2 3.3Å; R49-E262 PolarHBondContact NH1-OE2 3.17Å; R49-M334 VanDerWaalsContact CD-SD 3.57Å
50	R	90.4	Very high	79.3	Confident	183 Å²	183	116.9 Å²	116.9	69%	0.691	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-74.6	120.6	179	-179.6	179.6	-178.4	-176.1	-0.7	106.5	R48 V335	R48-R50 PolarHBondContact O-N 3.35Å; R50-V335 HydrophobicContact CB-CB 4.22Å; R50-V335 WeakPolarHBondContact CB-O 3.44Å; R50-V335 PolarHBondContact N-O 3.19Å; R50-V335 PolarHBondContact O-N 3.15Å
51	L	95.7	Very high	80.8	Confident	81 Å²	81	110 Å²	110	42%	0.424	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	123	174.6	-61.2	-179.4	0	0	0	108.4	R49 L257 Y332 M334	R49-L51 PolarHBondContact O-N 3.38Å; L51-L257 HydrophobicContact CD1-CD2 3.72Å; L51-L257 HydrophobicContact CD2-CB 4.43Å; L51-L257 HydrophobicContact CD2-CD2 4.01Å; L51-Y332 HydrophobicContact CB-CD1 3.95Å; L51-Y332 HydrophobicContact CB-CG 4.16Å; L51-M334 HydrophobicContact CD2-CG 3.83Å; L51-M334 HydrophobicContact CD2-SD 4.45Å
52	Q	97.1	Very high	82.4	Confident	102 Å²	102	99.3 Å²	99.3	48%	0.477	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	123.1	168.8	175.4	175.5	-7.6	0	0	107.6	V54 Y332 R333	Q52-V54 HydrophobicContact CG-CG1 4.31Å; Q52-V54 PolarHBondContact O-N 2.96Å; Q52-Y332 CarbonylContact O-C 3.47Å; Q52-Y332 VanDerWaalsContact O-CA 3.26Å; Q52-Y332 WeakPolarHBondContact O-CA 3.44Å; Q52-R333 PolarHBondContact N-O 2.85Å; Q52-R333 PolarHBondContact O-N 2.96Å
53	Q	98.2	Very high	84.1	Confident	105 Å²	105	89.1 Å²	89.1	49%	0.491	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	128.4	172.7	-170	172.9	-8.7	0	0	108.6	G55 P330 V331 Y332	Q53-G55 WeakPolarHBondContact CG-O 3.41Å; Q53-G55 PolarHBondContact NE2-O 3.22Å; Q53-G55 VanDerWaalsContact NE2-O 3.13Å; Q53-P330 HydrophobicContact CG-CB 4.28Å; Q53-V331 WeakPolarHBondContact CA-O 3.35Å; Q53-Y332 HydrophobicContact CB-CD1 3.9Å; Q53-Y332 HydrophobicContact CB-CE1 3.8Å; Q53-Y332 HydrophobicContact CG-CE1 4.34Å
54	V	98.4	Very high	86.1	Confident	7 Å²	7	85.4 Å²	85.4	4%	0.042	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	10.4	-180	-64.3	0	0	0	0	111.7	Q52 C245 W253 L256 V331 R333	Q52-V54 HydrophobicContact CG-CG1 4.31Å; Q52-V54 PolarHBondContact O-N 2.96Å; V54-C245 WeakPolarHBondContact O-CB 3.33Å; V54-W253 HydrophobicContact CB-CZ2 3.87Å; V54-W253 HydrophobicContact CG2-CD2 4Å; V54-W253 HydrophobicContact CG2-CG 4.43Å; V54-W253 HydrophobicContact CG2-CH2 4.46Å; V54-W253 HydrophobicContact CG2-CZ2 3.82Å; V54-W253 WeakPolarHBondContact O-CZ2 3.42Å; V54-L256 HydrophobicContact CG2-CD2 4.15Å; V54-V331 HydrophobicContact CG2-CB 4.41Å; V54-V331 HydrophobicContact CG2-CG1 3.82Å; V54-V331 PolarHBondContact N-O 2.91Å; V54-R333 HydrophobicContact CG1-CB 3.67Å; V54-R333 HydrophobicContact CG2-CB 4.17Å
55	G	98.6	Very high	88.5	Confident	5 Å²	5	77.7 Å²	77.7	5%	0.052	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.6	-161.1	175.1	0	0	0	0	0	113.2	Q53 T243 V331	Q53-G55 WeakPolarHBondContact CG-O 3.41Å; Q53-G55 PolarHBondContact NE2-O 3.22Å; Q53-G55 VanDerWaalsContact NE2-O 3.13Å; G55-T243 CarbonylContact C-O 3.55Å; G55-T243 WeakPolarHBondContact CA-O 3.4Å; G55-V331 PolarHBondContact O-N 3.23Å
56	T	98.9	Very high	90.9	Very high	45 Å²	45	72.9 Å²	72.9	28%	0.276	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	143.9	-179.5	-57.3	0	0	0	0	109.9	A58 V242 T243 D329	T56-A58 PolarHBondContact O-N 3.09Å; T56-A58 VanDerWaalsContact O-N 3.16Å; T56-V242 CarbonylContact O-C 3.53Å; T56-V242 WeakPolarHBondContact O-CA 3.3Å; T56-T243 PolarHBondContact N-O 3.33Å; T56-T243 PolarHBondContact O-N 3.38Å; T56-D329 CarbonylContact C-O 3.54Å; T56-D329 WeakPolarHBondContact CA-O 3.29Å
57	V	98.9	Very high	92.9	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	112.3	174.7	179.3	0	0	0	0	110.1	L60 I240 I258 L325 R326 V327 G328 D329 V331	V57-L60 HydrophobicContact CG1-CD1 4.5Å; V57-L60 HydrophobicContact CG1-CD2 3.68Å; V57-L60 HydrophobicContact CG1-CG 3.86Å; V57-I240 HydrophobicContact CG1-CG2 4.23Å; V57-I240 HydrophobicContact CG2-CG2 4.31Å; V57-I258 HydrophobicContact CG2-CG2 3.4Å; V57-I258 VanDerWaalsContact CG2-CG2 3.4Å; V57-L325 HydrophobicContact CG2-CD1 4.49Å; V57-R326 WeakPolarHBondContact CB-O 3.31Å; V57-V327 HydrophobicContact CG1-CG2 4.44Å; V57-G328 PolarHBondContact O-N 3.06Å; V57-D329 HydrophobicContact CG2-CB 4.13Å; V57-D329 PolarHBondContact N-O 3.5Å; V57-V331 HydrophobicContact CG2-CG2 3.92Å
58	A	98.8	Very high	95	Very high	33 Å²	33	50.7 Å²	50.7	27%	0.273	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-39.8	179.2	0	0	0	0	0	113.1	T56 V241 T243 V327	T56-A58 PolarHBondContact O-N 3.09Å; T56-A58 VanDerWaalsContact O-N 3.16Å; A58-V241 HydrophobicContact CB-CB 4.5Å; A58-V241 HydrophobicContact CB-CG1 4.28Å; A58-V241 PolarHBondContact N-O 2.96Å; A58-T243 HydrophobicContact CB-CG2 3.86Å; A58-V327 WeakPolarHBondContact O-CG1 3.41Å
59	K	98.8	Very high	96.9	Very high	96 Å²	96	42.2 Å²	42.2	42%	0.417	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	146.3	179.8	-57	-176.5	179.6	-178.8	0	111.2	V241	K59-V241 HydrophobicContact CB-CB 3.98Å; K59-V241 HydrophobicContact CB-CG2 3.98Å; K59-V241 PolarHBondContact N-O 3.11Å; K59-V241 PolarHBondContact O-N 3.47Å
60	L	98.9	Very high	98	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	138.4	168.4	-62	174.4	0	0	0	110.1	V57 P72 V73 A76 L83 N239 I240 L325 V327	V57-L60 HydrophobicContact CG1-CD1 4.5Å; V57-L60 HydrophobicContact CG1-CD2 3.68Å; V57-L60 HydrophobicContact CG1-CG 3.86Å; L60-P72 WeakPolarHBondContact O-CA 3.38Å; L60-V73 HydrophobicContact CB-CG2 3.65Å; L60-V73 WeakPolarHBondContact CB-O 3.25Å; L60-V73 PolarHBondContact O-N 3.12Å; L60-A76 HydrophobicContact CD1-CB 4.37Å; L60-L83 HydrophobicContact CD2-CD1 4.44Å; L60-N239 WeakPolarHBondContact CA-O 3.49Å; L60-I240 HydrophobicContact CD2-CB 4.24Å; L60-I240 HydrophobicContact CD2-CG1 3.84Å; L60-I240 HydrophobicContact CD2-CG2 4.05Å; L60-L325 HydrophobicContact CD1-CD1 4.42Å; L60-L325 HydrophobicContact CD1-CG 4.28Å; L60-L325 HydrophobicContact CD2-CD1 3.64Å; L60-L325 HydrophobicContact CD2-CG 4.32Å; L60-V327 HydrophobicContact CD1-CG2 4.45Å; L60-V327 HydrophobicContact CG-CG2 4.16Å
61	W	98.7	Very high	98.4	Very high	25 Å²	25	29.5 Å²	29.5	10%	0.095	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	133.3	-178.9	-65.6	96.4	0	0	0	111.9	Y63 P72 E234 P238 N239	W61-Y63 HydrophobicContact CB-CD2 4.42Å; W61-Y63 HydrophobicContact CB-CE2 3.59Å; W61-Y63 HydrophobicContact CG-CE2 4.46Å; W61-P72 HydrophobicContact CD2-CB 4.43Å; W61-P72 HydrophobicContact CE3-CB 4Å; W61-P72 HydrophobicContact CH2-CB 4.1Å; W61-P72 HydrophobicContact CH2-CG 4.43Å; W61-P72 HydrophobicContact CZ2-CB 4.49Å; W61-P72 HydrophobicContact CZ3-CB 3.84Å; W61-P72 HydrophobicContact CZ3-CG 4.07Å; W61-E234 HydrophobicContact CH2-CG 4.07Å; W61-E234 WeakPolarHBondContact CH2-OE1 3.36Å; W61-E234 HydrophobicContact CZ2-CG 4.12Å; W61-E234 WeakPolarHBondContact CZ2-OE1 3.33Å; W61-P238 WeakPolarHBondContact CB-O 3.39Å; W61-N239 PolarHBondContact N-O 3.49Å; W61-N239 WeakPolarHBondContact O-CA 3.31Å; W61-N239 PolarHBondContact O-ND2 2.74Å
62	I	98.8	Very high	98.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	136.3	168.4	-59.4	-179	0	0	0	107.2	P64 V71 V73 L83 S85 L88 D90	I62-P64 HydrophobicContact CG2-CG 4.27Å; I62-P64 WeakPolarHBondContact O-CD 3.36Å; I62-V71 PolarHBondContact N-O 2.98Å; I62-V71 PolarHBondContact O-N 3.42Å; I62-V73 HydrophobicContact CD1-CG1 4.4Å; I62-V73 HydrophobicContact CD1-CG2 4.45Å; I62-V73 HydrophobicContact CG1-CG2 4.45Å; I62-L83 HydrophobicContact CD1-CB 4.28Å; I62-L83 HydrophobicContact CG1-CB 3.96Å; I62-S85 VanDerWaalsContact CD1-N 3.34Å; I62-L88 HydrophobicContact CG2-CB 4.42Å; I62-D90 HydrophobicContact CG2-CB 4.2Å
63	Y	98.7	Very high	98.6	Very high	3 Å²	3	26.1 Å²	26.1	1%	0.012	14%	0.144	C	C	.	.			trans	-116.7	86.9	175	-58.4	-99.4	0	0	0	108	W61 V65 D90 R91 R237 P238	W61-Y63 HydrophobicContact CB-CD2 4.42Å; W61-Y63 HydrophobicContact CB-CE2 3.59Å; W61-Y63 HydrophobicContact CG-CE2 4.46Å; Y63-V65 VanDerWaalsContact C-N 3.25Å; Y63-V65 PolarHBondContact O-N 2.73Å; Y63-D90 PolarHBondContact N-OD1 2.77Å; Y63-R91 VanDerWaalsContact CD2-CZ 3.46Å; Y63-R91 VanDerWaalsContact O-CA 3.3Å; Y63-R91 WeakPolarHBondContact O-CA 3.41Å; Y63-R91 PolarHBondContact O-N 2.76Å; Y63-R237 VanDerWaalsContact CD1-CZ 3.49Å; Y63-R237 HydrophobicContact CE1-CB 4.08Å; Y63-R237 HydrophobicContact CE1-CG 4.12Å; Y63-R237 HydrophobicContact CE2-CB 4.26Å; Y63-R237 WeakPolarHBondContact OH-CA 3.27Å; Y63-P238 WeakPolarHBondContact CE2-O 3.44Å; Y63-P238 PolarHBondContact OH-O 2.95Å
64	P	98.3	Very high	98.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-57.3	-40.5	-167.3	-25.8	34.9	0	0	0	112.9	I62 V71 L88 R89 R91 F92 W93 I116 L123	I62-P64 HydrophobicContact CG2-CG 4.27Å; I62-P64 WeakPolarHBondContact O-CD 3.36Å; P64-V71 HydrophobicContact CG-CG2 3.93Å; P64-L88 HydrophobicContact CB-CD2 4.2Å; P64-L88 HydrophobicContact CG-CD2 3.81Å; P64-R89 WeakPolarHBondContact CA-O 3.46Å; P64-R91 CarbonylContact O-C 3.54Å; P64-R91 WeakPolarHBondContact O-CA 3.23Å; P64-F92 PolarHBondContact O-N 3Å; P64-W93 PolarHBondContact O-N 3.29Å; P64-I116 HydrophobicContact CG-CG2 4.34Å; P64-L123 HydrophobicContact CB-CD2 4.42Å
65	V	98.8	Very high	98.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-103	135.7	176.1	-165.5	0	0	0	0	109.7	Y63 S67 C68 W93 V95 I116 F125 L179	Y63-V65 VanDerWaalsContact C-N 3.25Å; Y63-V65 PolarHBondContact O-N 2.73Å; V65-S67 PolarHBondContact O-N 2.78Å; V65-C68 HydrophobicContact CB-CB 3.85Å; V65-C68 HydrophobicContact CG1-CB 4.44Å; V65-C68 VanDerWaalsContact CG1-SG 3.55Å; V65-C68 PolarHBondContact O-N 2.82Å; V65-W93 CarbonylContact C-O 3.58Å; V65-W93 WeakPolarHBondContact CA-O 3.42Å; V65-W93 HydrophobicContact CB-CB 4.16Å; V65-W93 HydrophobicContact CG1-CB 4.14Å; V65-W93 HydrophobicContact CG2-CB 3.89Å; V65-V95 HydrophobicContact CG1-CG2 4.31Å; V65-I116 HydrophobicContact CG2-CD1 3.96Å; V65-I116 HydrophobicContact CG2-CG1 4.08Å; V65-F125 HydrophobicContact CG2-CE1 3.64Å; V65-F125 HydrophobicContact CG2-CZ 4.29Å; V65-L179 HydrophobicContact CG1-CD1 3.98Å
66	K	98.6	Very high	98.6	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.017	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	133.4	173.9	-166.5	-177.5	-176	73.4	0	109.8	C68 W93 L94 T104 Y206 P207 D208	K66-C68 PolarHBondContact O-N 3.03Å; K66-W93 PolarHBondContact N-O 3.19Å; K66-L94 HydrophobicContact CB-CD1 3.91Å; K66-L94 HydrophobicContact CD-CD1 3.54Å; K66-L94 HydrophobicContact CG-CD1 4.33Å; K66-T104 HydrophobicContact CD-CG2 4.03Å; K66-Y206 WeakPolarHBondContact CD-O 3.29Å; K66-Y206 PolarHBondContact NZ-O 3.3Å; K66-P207 PolarHBondContact NZ-O 2.81Å; K66-D208 IonicContact NZ-OD1 3.19Å; K66-D208 PolarHBondContact NZ-OD1 3.35Å
67	S	98.4	Very high	98.6	Very high	6 Å²	6	31.5 Å²	31.5	4%	0.042	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	-11.2	-178.8	-60.6	0	0	0	0	118.3	V65 T104 A105 R237	V65-S67 PolarHBondContact O-N 2.78Å; S67-T104 WeakPolarHBondContact OG-CA 3.35Å; S67-T104 WeakPolarHBondContact OG-CB 3.32Å; S67-A105 VanDerWaalsContact CB-N 3.28Å; S67-A105 PolarHBondContact OG-N 2.73Å; S67-R237 PolarHBondContact O-NH1 2.72Å
68	C	98.7	Very high	98.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-77.1	177.4	179.1	-58.7	0	0	0	0	113.1	V65 K66 L111 V114 I116 R237	V65-C68 HydrophobicContact CB-CB 3.85Å; V65-C68 HydrophobicContact CG1-CB 4.44Å; V65-C68 VanDerWaalsContact CG1-SG 3.55Å; V65-C68 PolarHBondContact O-N 2.82Å; K66-C68 PolarHBondContact O-N 3.03Å; C68-L111 VanDerWaalsContact CA-O 3.3Å; C68-L111 WeakPolarHBondContact CA-O 3.24Å; C68-V114 HydrophobicContact CB-CB 4.12Å; C68-V114 HydrophobicContact CB-CG1 4.44Å; C68-I116 HydrophobicContact CB-CD1 3.81Å; C68-R237 VanDerWaalsContact O-CZ 3.24Å; C68-R237 PolarHBondContact O-NH1 3.23Å; C68-R237 PolarHBondContact O-NH2 2.76Å
69	K	98.4	Very high	98.5	Very high	67 Å²	67	30.7 Å²	30.7	29%	0.291	17%	0.166	S	C	.	.			trans	-59.6	149.9	-179.6	-163.7	153.8	-71.3	-158.7	0	111.4	V112 V114 P279 D280	K69-V112 WeakPolarHBondContact CB-O 3.41Å; K69-V112 WeakPolarHBondContact CE-O 3.25Å; K69-V114 WeakPolarHBondContact CB-O 3.37Å; K69-V114 PolarHBondContact N-O 3.19Å; K69-P279 WeakPolarHBondContact CE-O 3.37Å; K69-P279 PolarHBondContact NZ-O 2.83Å; K69-D280 IonicContact NZ-OD1 3.95Å
70	G	98.2	Very high	98.4	Very high	13 Å²	13	28.8 Å²	28.8	13%	0.134	17%	0.169	C	C	.	.			trans	-79.1	148.6	175.4	0	0	0	0	0	111.7
71	V	98.4	Very high	98.3	Very high	24 Å²	24	29.6 Å²	29.6	15%	0.145	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	115	169	-175	0	0	0	0	107.3	I62 P64 V73 L88 I116	I62-V71 PolarHBondContact N-O 2.98Å; I62-V71 PolarHBondContact O-N 3.42Å; P64-V71 HydrophobicContact CG-CG2 3.93Å; V71-V73 HydrophobicContact CG1-CG1 4.43Å; V71-L88 HydrophobicContact CB-CD1 4.46Å; V71-L88 HydrophobicContact CG1-CD1 4.02Å; V71-L88 HydrophobicContact CG2-CD1 4.36Å; V71-I116 HydrophobicContact CG2-CB 4.41Å; V71-I116 VanDerWaalsContact CG2-O 3.31Å; V71-I116 WeakPolarHBondContact CG2-O 3.41Å
72	P	98.2	Very high	98.3	Very high	86 Å²	86	28.5 Å²	28.5	56%	0.558	17%	0.169	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	140.4	174.5	31.3	-31.9	0	0	0	109.3	L60 W61	L60-P72 WeakPolarHBondContact O-CA 3.38Å; W61-P72 HydrophobicContact CD2-CB 4.43Å; W61-P72 HydrophobicContact CE3-CB 4Å; W61-P72 HydrophobicContact CH2-CB 4.1Å; W61-P72 HydrophobicContact CH2-CG 4.43Å; W61-P72 HydrophobicContact CZ2-CB 4.49Å; W61-P72 HydrophobicContact CZ3-CB 3.84Å; W61-P72 HydrophobicContact CZ3-CG 4.07Å
73	V	98.4	Very high	98.3	Very high	25 Å²	25	28.5 Å²	28.5	15%	0.152	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	150.9	176.9	-60.3	0	0	0	0	110.7	L60 I62 V71 E75 A76	L60-V73 HydrophobicContact CB-CG2 3.65Å; L60-V73 WeakPolarHBondContact CB-O 3.25Å; L60-V73 PolarHBondContact O-N 3.12Å; I62-V73 HydrophobicContact CD1-CG1 4.4Å; I62-V73 HydrophobicContact CD1-CG2 4.45Å; I62-V73 HydrophobicContact CG1-CG2 4.45Å; V71-V73 HydrophobicContact CG1-CG1 4.43Å; V73-E75 WeakPolarHBondContact CG2-O 3.34Å; V73-A76 HydrophobicContact CG2-CB 4.3Å
74	S	98.3	Very high	98.2	Very high	89 Å²	89	32.3 Å²	32.3	62%	0.622	18%	0.183	S	C	*	.	S	Bend	trans	-82	-28.1	173	49.3	0	0	0	0	112.4	R326 V327	S74-R326 CarbonylContact O-C 3.46Å; S74-R326 VanDerWaalsContact O-CA 3.29Å; S74-R326 WeakPolarHBondContact O-CA 3.18Å; S74-R326 WeakPolarHBondContact O-CB 3.36Å; S74-V327 PolarHBondContact O-N 3.01Å
75	E	98.3	Very high	98.2	Very high	102 Å²	102	34.1 Å²	34.1	48%	0.477	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	152.8	177.7	60	174.2	-159.2	0	0	112.3	V73 S85 L325 R326	V73-E75 WeakPolarHBondContact CG2-O 3.34Å; E75-S85 PolarHBondContact O-OG 2.8Å; E75-L325 WeakPolarHBondContact CA-O 3.46Å; E75-R326 HydrophobicContact CB-CB 4.02Å; E75-R326 IonicContact OE2-NH2 3.43Å; E75-R326 PolarHBondContact OE2-NH2 3.44Å
76	A	98.6	Very high	97.8	Very high	5 Å²	5	36.7 Å²	36.7	4%	0.041	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	146.4	176.6	0	0	0	0	0	111.7	L60 V73 L83 R84 S324 L325	L60-A76 HydrophobicContact CD1-CB 4.37Å; V73-A76 HydrophobicContact CG2-CB 4.3Å; A76-L83 HydrophobicContact CB-CB 4.27Å; A76-L83 HydrophobicContact CB-CD1 4.25Å; A76-L83 HydrophobicContact CB-CD2 4.15Å; A76-L83 HydrophobicContact CB-CG 4.46Å; A76-R84 CarbonylContact C-O 3.56Å; A76-R84 WeakPolarHBondContact CA-O 3.33Å; A76-R84 WeakPolarHBondContact CB-O 3.37Å; A76-S324 WeakPolarHBondContact O-CA 3.31Å; A76-L325 PolarHBondContact N-O 2.97Å; A76-L325 PolarHBondContact O-N 3.39Å
77	E	98.6	Very high	97.5	Very high	80 Å²	80	40.5 Å²	40.5	37%	0.374	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	132.6	156.3	-92.1	-179.9	118.2	0	0	109.4	L83 R84 G323	E77-L83 CarbonylContact O-C 3.47Å; E77-L83 WeakPolarHBondContact O-CA 3.36Å; E77-R84 HydrophobicContact CB-CB 4.3Å; E77-R84 PolarHBondContact N-O 3.09Å; E77-R84 PolarHBondContact O-N 2.62Å; E77-R84 IonicContact OE1-NH2 2.73Å; E77-R84 PolarHBondContact OE1-NH2 3.08Å; E77-R84 IonicContact OE2-CZ 2.89Å; E77-R84 IonicContact OE2-NE 3.94Å; E77-R84 PolarHBondContact OE2-NE 3.08Å; E77-R84 IonicContact OE2-NH2 3.29Å; E77-R84 PolarHBondContact OE2-NH2 2.98Å; E77-G323 CarbonylContact C-O 3.56Å; E77-G323 WeakPolarHBondContact CA-O 3.47Å
78	C	98.5	Very high	97.3	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.007	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	107.8	163.9	-168.3	0	0	0	0	109.6	L83 V261 V319 I322 G323 L325	C78-L83 HydrophobicContact CB-CD2 4.16Å; C78-V261 HydrophobicContact CB-CB 4.2Å; C78-V261 HydrophobicContact CB-CG1 3.48Å; C78-V261 VanDerWaalsContact CB-CG1 3.48Å; C78-V261 HydrophobicContact CB-CG2 3.59Å; C78-V319 WeakPolarHBondContact SG-CG2 3.48Å; C78-I322 WeakPolarHBondContact O-CA 3.27Å; C78-I322 WeakPolarHBondContact O-CB 3.27Å; C78-G323 PolarHBondContact N-O 2.84Å; C78-G323 PolarHBondContact O-N 2.95Å; C78-L325 HydrophobicContact CB-CD2 3.86Å
79	T	98.1	Very high	97.3	Very high	16 Å²	16	42.2 Å²	42.2	10%	0.098	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	163.9	175.2	75.5	0	0	0	0	110.3	M81 G82 R84 R89	T79-M81 PolarHBondContact O-N 3.33Å; T79-M81 PolarHBondContact OG1-N 2.91Å; T79-G82 WeakPolarHBondContact CB-O 3.48Å; T79-G82 PolarHBondContact N-O 2.86Å; T79-G82 PolarHBondContact O-N 3.24Å; T79-G82 PolarHBondContact OG1-O 3.18Å; T79-R84 HydrophobicContact CG2-CB 3.86Å; T79-R89 PolarHBondContact OG1-NH2 3.01Å
80	A	96	Very high	97.3	Very high	57 Å²	57	39 Å²	39	47%	0.471	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-10.9	175.8	0	0	0	0	0	115.3	I322	A80-I322 HydrophobicContact CB-CG2 4.49Å
81	M	97.4	Very high	97.3	Very high	19 Å²	19	39.6 Å²	39.6	9%	0.094	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	10.7	177.8	-54.4	-175.4	69.6	0	0	113.4	T79 F92 F182 V204 A205	T79-M81 PolarHBondContact O-N 3.33Å; T79-M81 PolarHBondContact OG1-N 2.91Å; M81-F92 HydrophobicContact CB-CE2 4.27Å; M81-F92 HydrophobicContact CB-CZ 4.26Å; M81-F92 HydrophobicContact CE-CZ 4.14Å; M81-F92 HydrophobicContact SD-CZ 3.97Å; M81-F182 HydrophobicContact CE-CD1 4.42Å; M81-F182 HydrophobicContact CE-CE1 3.63Å; M81-F182 HydrophobicContact CE-CZ 3.96Å; M81-F182 HydrophobicContact SD-CE1 4.23Å; M81-V204 VanDerWaalsContact CE-C 3.5Å; M81-A205 HydrophobicContact CE-CB 4.05Å
82	G	98.1	Very high	97.3	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	115.2	-169.7	-178.5	0	0	0	0	0	113.6	T79 P211	T79-G82 WeakPolarHBondContact CB-O 3.48Å; T79-G82 PolarHBondContact N-O 2.86Å; T79-G82 PolarHBondContact O-N 3.24Å; T79-G82 PolarHBondContact OG1-O 3.18Å; G82-P211 WeakPolarHBondContact CA-O 3.44Å
83	L	98.7	Very high	97.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	147.3	-175.6	-62.5	-171.6	0	0	0	113.6	L60 I62 A76 E77 C78 D90 L212 N239 I240 L325	L60-L83 HydrophobicContact CD2-CD1 4.44Å; I62-L83 HydrophobicContact CD1-CB 4.28Å; I62-L83 HydrophobicContact CG1-CB 3.96Å; A76-L83 HydrophobicContact CB-CB 4.27Å; A76-L83 HydrophobicContact CB-CD1 4.25Å; A76-L83 HydrophobicContact CB-CD2 4.15Å; A76-L83 HydrophobicContact CB-CG 4.46Å; E77-L83 CarbonylContact O-C 3.47Å; E77-L83 WeakPolarHBondContact O-CA 3.36Å; C78-L83 HydrophobicContact CB-CD2 4.16Å; L83-D90 PolarHBondContact O-N 3.03Å; L83-L212 HydrophobicContact CD2-CD2 3.72Å; L83-L212 HydrophobicContact CG-CD2 3.72Å; L83-N239 HydrophobicContact CD1-CB 3.9Å; L83-N239 HydrophobicContact CG-CB 4.27Å; L83-I240 HydrophobicContact CD1-CG1 4.45Å; L83-L325 HydrophobicContact CD2-CD2 4.01Å
84	R	98.1	Very high	97.4	Very high	83 Å²	83	33.9 Å²	33.9	31%	0.313	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	138	172.3	174.4	167.5	72.9	175.7	-0.2	110.2	A76 E77 T79 G86 L88 R89	A76-R84 CarbonylContact C-O 3.56Å; A76-R84 WeakPolarHBondContact CA-O 3.33Å; A76-R84 WeakPolarHBondContact CB-O 3.37Å; E77-R84 HydrophobicContact CB-CB 4.3Å; E77-R84 PolarHBondContact N-O 3.09Å; E77-R84 PolarHBondContact O-N 2.62Å; E77-R84 IonicContact OE1-NH2 2.73Å; E77-R84 PolarHBondContact OE1-NH2 3.08Å; E77-R84 IonicContact OE2-CZ 2.89Å; E77-R84 IonicContact OE2-NE 3.94Å; E77-R84 PolarHBondContact OE2-NE 3.08Å; E77-R84 IonicContact OE2-NH2 3.29Å; E77-R84 PolarHBondContact OE2-NH2 2.98Å; T79-R84 HydrophobicContact CG2-CB 3.86Å; R84-G86 VanDerWaalsContact CD-O 3.31Å; R84-G86 WeakPolarHBondContact CD-O 3.05Å; R84-G86 WeakPolarHBondContact CG-O 3.37Å; R84-L88 CarbonylContact C-O 3.59Å; R84-L88 VanDerWaalsContact CA-O 3.28Å; R84-L88 WeakPolarHBondContact CA-O 3.3Å; R84-R89 HydrophobicContact CB-CG 4.1Å; R84-R89 HydrophobicContact CG-CG 3.92Å
85	S	96.7	Very high	97.4	Very high	38 Å²	38	29.7 Å²	29.7	27%	0.266	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	111.7	166.2	-168.9	0	0	0	0	108	I62 E75 N87 L88	I62-S85 VanDerWaalsContact CD1-N 3.34Å; E75-S85 PolarHBondContact O-OG 2.8Å; S85-N87 PolarHBondContact O-N 3.13Å; S85-L88 PolarHBondContact N-O 3.21Å; S85-L88 WeakPolarHBondContact O-CB 3.4Å; S85-L88 PolarHBondContact O-N 3Å
86	G	91.8	Very high	97.4	Very high	55 Å²	55	24.8 Å²	24.8	57%	0.567	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	-122.8	-165.2	0	0	0	0	0	111.9	R84	R84-G86 VanDerWaalsContact CD-O 3.31Å; R84-G86 WeakPolarHBondContact CD-O 3.05Å; R84-G86 WeakPolarHBondContact CG-O 3.37Å
87	N	91.1	Very high	97.4	Very high	84 Å²	84	27.7 Å²	27.7	45%	0.449	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-5.6	175.5	-72	-37.6	0	0	0	114.1	S85 R89 Y118 N121	S85-N87 PolarHBondContact O-N 3.13Å; N87-R89 PolarHBondContact O-N 2.95Å; N87-Y118 HydrophobicContact CB-CE2 3.81Å; N87-Y118 PolarHBondContact ND2-OH 2.97Å; N87-N121 PolarHBondContact ND2-OD1 2.85Å
88	L	95.1	Very high	97.2	Very high	10 Å²	10	30.9 Å²	30.9	5%	0.052	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	126.2	171.3	-67.2	-177.6	0	0	0	109.7	I62 P64 V71 R84 S85 Y118 L123	I62-L88 HydrophobicContact CG2-CB 4.42Å; P64-L88 HydrophobicContact CB-CD2 4.2Å; P64-L88 HydrophobicContact CG-CD2 3.81Å; V71-L88 HydrophobicContact CB-CD1 4.46Å; V71-L88 HydrophobicContact CG1-CD1 4.02Å; V71-L88 HydrophobicContact CG2-CD1 4.36Å; R84-L88 CarbonylContact C-O 3.59Å; R84-L88 VanDerWaalsContact CA-O 3.28Å; R84-L88 WeakPolarHBondContact CA-O 3.3Å; S85-L88 PolarHBondContact N-O 3.21Å; S85-L88 WeakPolarHBondContact O-CB 3.4Å; S85-L88 PolarHBondContact O-N 3Å; L88-Y118 HydrophobicContact CD2-CD2 4.23Å; L88-Y118 HydrophobicContact CD2-CG 4.32Å; L88-Y118 HydrophobicContact CG-CD2 4.37Å; L88-Y118 HydrophobicContact CG-CG 4.08Å; L88-L123 HydrophobicContact CD2-CD1 4.43Å; L88-L123 HydrophobicContact CD2-CD2 4.21Å; L88-L123 HydrophobicContact CD2-CG 4.04Å
89	R	97.8	Very high	97	Very high	31 Å²	31	35.9 Å²	35.9	12%	0.117	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	142.9	178.6	-63.5	-163.8	71.9	-169.2	-0.6	111.5	P64 T79 R84 N87 R91 F92	P64-R89 WeakPolarHBondContact CA-O 3.46Å; T79-R89 PolarHBondContact OG1-NH2 3.01Å; R84-R89 HydrophobicContact CB-CG 4.1Å; R84-R89 HydrophobicContact CG-CG 3.92Å; N87-R89 PolarHBondContact O-N 2.95Å; R89-R91 PolarHBondContact O-N 3.02Å; R89-F92 HydrophobicContact CB-CB 3.98Å; R89-F92 HydrophobicContact CB-CD1 4.08Å; R89-F92 HydrophobicContact CB-CD2 3.5Å; R89-F92 HydrophobicContact CB-CE2 4.04Å; R89-F92 HydrophobicContact CB-CG 3.56Å; R89-F92 PolarHBondContact O-N 2.63Å
90	D	98.6	Very high	97	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	115.5	-169	-166.9	57	0	0	0	113.6	I62 Y63 L83 F92 N239	I62-D90 HydrophobicContact CG2-CB 4.2Å; Y63-D90 PolarHBondContact N-OD1 2.77Å; L83-D90 PolarHBondContact O-N 3.03Å; D90-F92 VanDerWaalsContact C-N 3.35Å; D90-F92 WeakPolarHBondContact O-CD2 3.28Å; D90-F92 PolarHBondContact O-N 3.01Å; D90-N239 PolarHBondContact OD1-ND2 3.29Å; D90-N239 VanDerWaalsContact OD1-ND2 3.13Å; D90-N239 PolarHBondContact OD2-ND2 2.93Å
91	R	98.6	Very high	97.1	Very high	25 Å²	25	36.8 Å²	36.8	9%	0.094	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	50	50	-175.4	-59.5	84.7	178	-159.9	7.3	112.5	Y63 P64 R89 Y206 P207 R237 N239	Y63-R91 VanDerWaalsContact CD2-CZ 3.46Å; Y63-R91 VanDerWaalsContact O-CA 3.3Å; Y63-R91 WeakPolarHBondContact O-CA 3.41Å; Y63-R91 PolarHBondContact O-N 2.76Å; P64-R91 CarbonylContact O-C 3.54Å; P64-R91 WeakPolarHBondContact O-CA 3.23Å; R89-R91 PolarHBondContact O-N 3.02Å; R91-Y206 WeakPolarHBondContact O-CA 3.4Å; R91-Y206 WeakPolarHBondContact O-CB 3.03Å; R91-Y206 WeakPolarHBondContact O-CD2 3.18Å; R91-Y206 PolarHBondContact O-N 3.25Å; R91-P207 HydrophobicContact CB-CG 4Å; R91-R237 PolarHBondContact NH2-O 2.83Å; R91-N239 PolarHBondContact NH1-ND2 2.62Å; R91-N239 PolarHBondContact NH1-OD1 3.37Å
92	F	98.6	Very high	97.2	Very high	9 Å²	9	37.1 Å²	37.1	4%	0.039	19%	0.192	C	C	.	.			trans	-91.4	-3.2	171.2	-92.3	-118.1	0	0	0	113.7	P64 M81 R89 D90 F182 T184 A205 Y206	P64-F92 PolarHBondContact O-N 3Å; M81-F92 HydrophobicContact CB-CE2 4.27Å; M81-F92 HydrophobicContact CB-CZ 4.26Å; M81-F92 HydrophobicContact CE-CZ 4.14Å; M81-F92 HydrophobicContact SD-CZ 3.97Å; R89-F92 HydrophobicContact CB-CB 3.98Å; R89-F92 HydrophobicContact CB-CD1 4.08Å; R89-F92 HydrophobicContact CB-CD2 3.5Å; R89-F92 HydrophobicContact CB-CE2 4.04Å; R89-F92 HydrophobicContact CB-CG 3.56Å; R89-F92 PolarHBondContact O-N 2.63Å; D90-F92 VanDerWaalsContact C-N 3.35Å; D90-F92 WeakPolarHBondContact O-CD2 3.28Å; D90-F92 PolarHBondContact O-N 3.01Å; F92-F182 HydrophobicContact CD1-CB 4.16Å; F92-F182 AromaticContact CD1-CD1 3.9Å; F92-F182 HydrophobicContact CD1-CD1 3.9Å; F92-F182 WeakPolarHBondContact CD1-O 3.34Å; F92-F182 AromaticContact CE1-CD1 3.51Å; F92-F182 HydrophobicContact CE1-CD1 3.51Å; F92-F182 HydrophobicContact CE1-CE1 4.17Å; F92-F182 HydrophobicContact CZ-CD1 4Å; F92-F182 HydrophobicContact CZ-CE1 4.38Å; F92-F182 PolarHBondContact O-N 3.41Å; F92-T184 HydrophobicContact CE1-CG2 4.08Å; F92-A205 HydrophobicContact CD2-CB 3.97Å; F92-A205 HydrophobicContact CE2-CB 3.83Å; F92-A205 HydrophobicContact CG-CB 4.42Å; F92-A205 HydrophobicContact CZ-CB 4.17Å; F92-Y206 WeakPolarHBondContact O-CE2 3.32Å
93	W	98.8	Very high	97.2	Very high	6 Å²	6	37.1 Å²	37.1	2%	0.023	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	147.9	174.3	-58.3	72.9	0	0	0	110.6	P64 V65 K66 L123 L135 Q139 C160 L179 V180 Q181 Y206	P64-W93 PolarHBondContact O-N 3.29Å; V65-W93 CarbonylContact C-O 3.58Å; V65-W93 WeakPolarHBondContact CA-O 3.42Å; V65-W93 HydrophobicContact CB-CB 4.16Å; V65-W93 HydrophobicContact CG1-CB 4.14Å; V65-W93 HydrophobicContact CG2-CB 3.89Å; K66-W93 PolarHBondContact N-O 3.19Å; W93-L123 HydrophobicContact CD2-CD2 4.35Å; W93-L123 HydrophobicContact CZ2-CD1 3.94Å; W93-L123 HydrophobicContact CZ2-CD2 3.89Å; W93-L135 HydrophobicContact CZ3-CD1 4.09Å; W93-Q139 HydrophobicContact CH2-CG 4.06Å; W93-Q139 HydrophobicContact CZ3-CG 4.2Å; W93-C160 HydrophobicContact CZ3-CB 4.2Å; W93-C160 WeakPolarHBondContact CZ3-SG 3.41Å; W93-L179 HydrophobicContact CB-CD1 4.41Å; W93-L179 HydrophobicContact CE3-CD2 3.63Å; W93-L179 HydrophobicContact CE3-CG 3.98Å; W93-L179 HydrophobicContact CZ3-CD2 3.91Å; W93-V180 CarbonylContact C-O 3.59Å; W93-V180 VanDerWaalsContact CA-O 3.29Å; W93-V180 WeakPolarHBondContact CA-O 3.37Å; W93-Q181 HydrophobicContact CD2-CB 4.09Å; W93-Q181 HydrophobicContact CD2-CG 4.16Å; W93-Q181 HydrophobicContact CE3-CB 3.96Å; W93-Q181 HydrophobicContact CE3-CG 4.48Å; W93-Q181 HydrophobicContact CH2-CB 4.36Å; W93-Q181 HydrophobicContact CH2-CG 4.45Å; W93-Q181 HydrophobicContact CZ2-CB 4.43Å; W93-Q181 HydrophobicContact CZ2-CG 4.08Å; W93-Q181 VanDerWaalsContact CZ2-NE2 3.25Å; W93-Q181 HydrophobicContact CZ3-CB 4.13Å; W93-Y206 VanDerWaalsContact C-CD2 3.45Å
94	L	98.9	Very high	97.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	134.1	-174.6	174	67	0	0	0	110.4	K66 I96 M102 C148 I150 V180 Y206	K66-L94 HydrophobicContact CB-CD1 3.91Å; K66-L94 HydrophobicContact CD-CD1 3.54Å; K66-L94 HydrophobicContact CG-CD1 4.33Å; L94-I96 HydrophobicContact CD2-CG2 3.57Å; L94-I96 HydrophobicContact CG-CG2 3.74Å; L94-M102 HydrophobicContact CD1-CB 3.97Å; L94-M102 HydrophobicContact CD2-CB 4.47Å; L94-C148 HydrophobicContact CD2-CB 4.3Å; L94-I150 HydrophobicContact CD2-CD1 3.69Å; L94-I150 HydrophobicContact CD2-CG1 4.04Å; L94-V180 HydrophobicContact CB-CG2 3.9Å; L94-V180 HydrophobicContact CD2-CG2 4.37Å; L94-V180 HydrophobicContact CG-CG2 4.4Å; L94-V180 PolarHBondContact N-O 3.01Å; L94-V180 PolarHBondContact O-N 2.91Å; L94-Y206 HydrophobicContact CB-CD1 4.42Å; L94-Y206 HydrophobicContact CB-CD2 3.46Å; L94-Y206 VanDerWaalsContact CB-CD2 3.46Å; L94-Y206 HydrophobicContact CB-CE2 3.61Å; L94-Y206 HydrophobicContact CB-CG 3.86Å; L94-Y206 HydrophobicContact CD2-CD1 4.19Å; L94-Y206 HydrophobicContact CD2-CE1 4.31Å; L94-Y206 HydrophobicContact CD2-CG 4.34Å
95	V	98.8	Very high	97.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	129.5	164.1	-174.1	0	0	0	0	108	V65 V103 L111 F168 Y177 R178 L179	V65-V95 HydrophobicContact CG1-CG2 4.31Å; V95-V103 HydrophobicContact CB-CB 4.12Å; V95-V103 HydrophobicContact CG1-CB 3.94Å; V95-V103 HydrophobicContact CG1-CG1 4.44Å; V95-V103 HydrophobicContact CG1-CG2 4.13Å; V95-V103 PolarHBondContact O-N 3.48Å; V95-L111 HydrophobicContact CG2-CD2 3.99Å; V95-F168 HydrophobicContact CG1-CD1 4.32Å; V95-F168 HydrophobicContact CG2-CD1 3.59Å; V95-F168 HydrophobicContact CG2-CE1 3.45Å; V95-F168 VanDerWaalsContact CG2-CE1 3.45Å; V95-F168 HydrophobicContact CG2-CG 4.2Å; V95-F168 HydrophobicContact CG2-CZ 3.97Å; V95-Y177 HydrophobicContact CG1-CD1 4.41Å; V95-Y177 HydrophobicContact CG1-CG 4.18Å; V95-R178 CarbonylContact C-O 3.55Å; V95-R178 WeakPolarHBondContact CA-O 3.45Å; V95-L179 HydrophobicContact CG2-CD1 4.08Å
96	I	98.8	Very high	97.1	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	154.1	176.5	58.2	169.2	0	0	0	110.6	L94 H101 H146 C148 Y177 R178 V180	L94-I96 HydrophobicContact CD2-CG2 3.57Å; L94-I96 HydrophobicContact CG-CG2 3.74Å; I96-H101 CarbonylContact C-O 3.58Å; I96-H101 VanDerWaalsContact CA-O 3.27Å; I96-H101 WeakPolarHBondContact CA-O 3.42Å; I96-H146 HydrophobicContact CD1-CB 3.98Å; I96-C148 HydrophobicContact CG2-CB 4.35Å; I96-Y177 CarbonylContact O-C 3.58Å; I96-Y177 WeakPolarHBondContact O-CA 3.44Å; I96-R178 HydrophobicContact CD1-CB 4.45Å; I96-R178 HydrophobicContact CG1-CB 4.04Å; I96-R178 WeakPolarHBondContact CG1-O 3.45Å; I96-R178 PolarHBondContact N-O 3.13Å; I96-R178 PolarHBondContact O-N 2.87Å; I96-V180 HydrophobicContact CD1-CG1 3.55Å; I96-V180 HydrophobicContact CG1-CG1 4.05Å; I96-V180 HydrophobicContact CG2-CG2 4.16Å
97	K	98.1	Very high	97.3	Very high	65 Å²	65	36.1 Å²	36.1	28%	0.283	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	167.9	159.5	-59.7	-163.9	-177.1	-151.5	0	110.3	D99 G100 H101 V103 E175 Y177	K97-D99 WeakPolarHBondContact CB-OD1 3.24Å; K97-D99 PolarHBondContact O-N 2.84Å; K97-G100 PolarHBondContact O-N 2.89Å; K97-H101 PolarHBondContact N-O 2.84Å; K97-V103 HydrophobicContact CG-CG2 3.85Å; K97-E175 WeakPolarHBondContact CE-OE2 3.36Å; K97-E175 IonicContact NZ-OE1 2.65Å; K97-E175 PolarHBondContact NZ-OE1 2.88Å; K97-E175 IonicContact NZ-OE2 3.34Å; K97-E175 PolarHBondContact NZ-OE2 2.9Å; K97-Y177 HydrophobicContact CG-CD1 4.46Å; K97-Y177 HydrophobicContact CG-CE1 4.14Å
98	E	93.8	Very high	97.7	Very high	148 Å²	148	33.2 Å²	33.2	69%	0.692	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-34.4	175.9	-173.7	168.1	-160.3	0	0	113.4	G100	E98-G100 PolarHBondContact O-N 2.84Å
99	D	95.7	Very high	97.8	Very high	106 Å²	106	33.9 Å²	33.9	57%	0.567	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-3.2	177	75.1	-4.5	0	0	0	114.7	K97 H101	K97-D99 WeakPolarHBondContact CB-OD1 3.24Å; K97-D99 PolarHBondContact O-N 2.84Å; D99-H101 WeakPolarHBondContact OD1-CB 3.45Å; D99-H101 IonicContact OD1-CG 2.68Å; D99-H101 PolarHBondContact OD1-N 3.47Å; D99-H101 IonicContact OD1-ND1 2.62Å; D99-H101 PolarHBondContact OD1-ND1 2.93Å; D99-H101 VanDerWaalsContact OD1-ND1 3.14Å; D99-H101 IonicContact OD2-CE1 2.78Å; D99-H101 IonicContact OD2-CG 3.47Å; D99-H101 IonicContact OD2-ND1 3.73Å; D99-H101 PolarHBondContact OD2-ND1 3.43Å
100	G	97.8	Very high	97.8	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.01	17%	0.169	C	C	.	.	S	Bend	trans	89.5	-1.7	-179.3	0	0	0	0	0	115.8	K97 E98 N147 C148 R149	K97-G100 PolarHBondContact O-N 2.89Å; E98-G100 PolarHBondContact O-N 2.84Å; G100-N147 WeakPolarHBondContact CA-O 3.45Å; G100-C148 CarbonylContact O-C 3.52Å; G100-C148 WeakPolarHBondContact O-CA 3.5Å; G100-R149 PolarHBondContact O-N 2.88Å
101	H	98.3	Very high	97.9	Very high	90 Å²	90	36.7 Å²	36.7	42%	0.417	17%	0.169	S	C	.	.	B	Isolated β-bridge	trans	-67.1	138.7	174.4	-76	100.4	0	0	0	111.9	I96 K97 D99	I96-H101 CarbonylContact C-O 3.58Å; I96-H101 VanDerWaalsContact CA-O 3.27Å; I96-H101 WeakPolarHBondContact CA-O 3.42Å; K97-H101 PolarHBondContact N-O 2.84Å; D99-H101 WeakPolarHBondContact OD1-CB 3.45Å; D99-H101 IonicContact OD1-CG 2.68Å; D99-H101 PolarHBondContact OD1-N 3.47Å; D99-H101 IonicContact OD1-ND1 2.62Å; D99-H101 PolarHBondContact OD1-ND1 2.93Å; D99-H101 VanDerWaalsContact OD1-ND1 3.14Å; D99-H101 IonicContact OD2-CE1 2.78Å; D99-H101 IonicContact OD2-CG 3.47Å; D99-H101 IonicContact OD2-ND1 3.73Å; D99-H101 PolarHBondContact OD2-ND1 3.43Å
102	M	98.3	Very high	97.9	Very high	26 Å²	26	35.9 Å²	35.9	13%	0.128	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-57.6	139.5	174.9	62	167.1	-173.4	0	0	112.4	L94 T104 R149 I150 F151	L94-M102 HydrophobicContact CD1-CB 3.97Å; L94-M102 HydrophobicContact CD2-CB 4.47Å; M102-T104 HydrophobicContact CB-CG2 4.36Å; M102-T104 HydrophobicContact CE-CG2 4.41Å; M102-T104 HydrophobicContact CG-CG2 4.15Å; M102-T104 HydrophobicContact SD-CG2 3.71Å; M102-R149 PolarHBondContact N-O 2.78Å; M102-I150 HydrophobicContact CB-CG1 4.36Å; M102-I150 HydrophobicContact CG-CG2 4.45Å; M102-I150 HydrophobicContact SD-CB 4.26Å; M102-I150 HydrophobicContact SD-CG2 3.5Å; M102-I150 VanDerWaalsContact SD-CG2 3.5Å; M102-F151 HydrophobicContact CE-CD1 3.71Å; M102-F151 HydrophobicContact CE-CD2 4.32Å; M102-F151 HydrophobicContact CE-CE1 3.82Å; M102-F151 HydrophobicContact CE-CE2 4.38Å; M102-F151 HydrophobicContact CE-CG 4Å; M102-F151 HydrophobicContact CE-CZ 4.18Å; M102-F151 HydrophobicContact SD-CD2 4.34Å; M102-F151 HydrophobicContact SD-CE2 4.28Å
103	V	98.5	Very high	97.9	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.012	17%	0.168	C	C	.	.			trans	-105.1	133.5	165.2	-171.7	0	0	0	0	107.7	V95 K97 E108 L111 Y177	V95-V103 HydrophobicContact CB-CB 4.12Å; V95-V103 HydrophobicContact CG1-CB 3.94Å; V95-V103 HydrophobicContact CG1-CG1 4.44Å; V95-V103 HydrophobicContact CG1-CG2 4.13Å; V95-V103 PolarHBondContact O-N 3.48Å; K97-V103 HydrophobicContact CG-CG2 3.85Å; V103-E108 HydrophobicContact CG1-CB 3.82Å; V103-E108 HydrophobicContact CG1-CG 3.53Å; V103-L111 HydrophobicContact CG1-CD1 4.08Å; V103-Y177 HydrophobicContact CG1-CE1 4.22Å; V103-Y177 HydrophobicContact CG2-CD1 3.63Å; V103-Y177 HydrophobicContact CG2-CE1 3.57Å
104	T	98.3	Very high	97.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.167	C	C	.	.			trans	-140.3	164.9	-177.5	75.4	0	0	0	0	110.3	K66 S67 M102 R106 Q107 E108	K66-T104 HydrophobicContact CD-CG2 4.03Å; S67-T104 WeakPolarHBondContact OG-CA 3.35Å; S67-T104 WeakPolarHBondContact OG-CB 3.32Å; M102-T104 HydrophobicContact CB-CG2 4.36Å; M102-T104 HydrophobicContact CE-CG2 4.41Å; M102-T104 HydrophobicContact CG-CG2 4.15Å; M102-T104 HydrophobicContact SD-CG2 3.71Å; T104-R106 PolarHBondContact O-N 2.81Å; T104-R106 PolarHBondContact OG1-N 2.79Å; T104-R106 PolarHBondContact OG1-NH1 2.84Å; T104-Q107 VanDerWaalsContact N-OE1 3.09Å; T104-Q107 PolarHBondContact O-N 2.83Å; T104-Q107 PolarHBondContact O-OE1 2.68Å; T104-Q107 PolarHBondContact OG1-OE1 2.83Å; T104-E108 PolarHBondContact O-N 2.99Å
105	A	98.1	Very high	97.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-3	177.3	0	0	0	0	0	114.8	S67 E108 P109 V112 L274 V277	S67-A105 VanDerWaalsContact CB-N 3.28Å; S67-A105 PolarHBondContact OG-N 2.73Å; A105-E108 WeakPolarHBondContact CA-O 3.47Å; A105-P109 WeakPolarHBondContact O-CA 3.35Å; A105-V112 HydrophobicContact CB-CG1 3.85Å; A105-L274 HydrophobicContact CB-CD1 3.93Å; A105-L274 HydrophobicContact CB-CG 4.06Å; A105-V277 HydrophobicContact CB-CG2 4.45Å
106	R	95.9	Very high	97.8	Very high	56 Å²	56	38.2 Å²	38.2	21%	0.211	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-24.8	167.3	-62.9	-179.6	-102.8	91.3	3.9	113	T104 I273 L274	T104-R106 PolarHBondContact O-N 2.81Å; T104-R106 PolarHBondContact OG1-N 2.79Å; T104-R106 PolarHBondContact OG1-NH1 2.84Å; R106-I273 HydrophobicContact CB-CG2 4.12Å; R106-I273 HydrophobicContact CG-CG2 3.78Å; R106-L274 HydrophobicContact CG-CB 4.11Å
107	Q	96.1	Very high	97.6	Very high	99 Å²	99	40.8 Å²	40.8	46%	0.463	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-51.2	172.9	-63.7	86.3	16.1	0	0	110.3	T104 P109	T104-Q107 VanDerWaalsContact N-OE1 3.09Å; T104-Q107 PolarHBondContact O-N 2.83Å; T104-Q107 PolarHBondContact O-OE1 2.68Å; T104-Q107 PolarHBondContact OG1-OE1 2.83Å; Q107-P109 WeakPolarHBondContact O-CD 3.45Å
108	E	98.2	Very high	97.4	Very high	23 Å²	23	41.2 Å²	41.2	11%	0.107	20%	0.199	C	C	.	.			trans	-116.7	75.1	-173.6	-71.6	-59.2	155.2	0	0	110.5	V103 T104 A105 R110 L111 L172 T174 Y177	V103-E108 HydrophobicContact CG1-CB 3.82Å; V103-E108 HydrophobicContact CG1-CG 3.53Å; T104-E108 PolarHBondContact O-N 2.99Å; A105-E108 WeakPolarHBondContact CA-O 3.47Å; E108-R110 PolarHBondContact O-N 2.7Å; E108-L111 HydrophobicContact CB-CD1 3.99Å; E108-L111 HydrophobicContact CB-CG 4.05Å; E108-L111 VanDerWaalsContact O-CB 3.28Å; E108-L111 WeakPolarHBondContact O-CB 3.34Å; E108-L111 WeakPolarHBondContact O-CG 3.45Å; E108-L111 PolarHBondContact O-N 3.02Å; E108-L172 HydrophobicContact CB-CD1 4.26Å; E108-L172 HydrophobicContact CB-CD2 4.2Å; E108-L172 HydrophobicContact CG-CD1 4.17Å; E108-T174 VanDerWaalsContact OE1-CB 3.24Å; E108-T174 WeakPolarHBondContact OE1-CB 3.37Å; E108-T174 WeakPolarHBondContact OE1-CG2 3.43Å; E108-T174 PolarHBondContact OE1-OG1 3.37Å; E108-Y177 PolarHBondContact OE1-OH 3.03Å
109	P	98.2	Very high	97.4	Very high	23 Å²	23	38.8 Å²	38.8	15%	0.149	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-62.4	-26.4	-172.5	27.9	-37.6	0	0	0	113	A105 Q107 L111 V112 V277 G282 I284	A105-P109 WeakPolarHBondContact O-CA 3.35Å; Q107-P109 WeakPolarHBondContact O-CD 3.45Å; P109-L111 PolarHBondContact O-N 3.47Å; P109-V112 WeakPolarHBondContact O-CG2 3.29Å; P109-V112 PolarHBondContact O-N 3.06Å; P109-V112 VanDerWaalsContact O-N 3.09Å; P109-V277 HydrophobicContact CB-CG1 3.76Å; P109-V277 HydrophobicContact CB-CG2 3.93Å; P109-G282 WeakPolarHBondContact CB-O 3.1Å; P109-G282 WeakPolarHBondContact CG-O 3.26Å; P109-I284 HydrophobicContact CB-CD1 3.8Å; P109-I284 HydrophobicContact CB-CG1 3.66Å; P109-I284 HydrophobicContact CG-CD1 3.67Å; P109-I284 HydrophobicContact CG-CG1 3.87Å
110	R	98.5	Very high	97.2	Very high	91 Å²	91	41.4 Å²	41.4	34%	0.343	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-54.7	-21.3	171.5	-74	178	63	84.5	-4.8	113.7	E108 V112 L113 F171 L172	E108-R110 PolarHBondContact O-N 2.7Å; R110-V112 PolarHBondContact O-N 2.95Å; R110-V112 VanDerWaalsContact O-N 3.13Å; R110-L113 VanDerWaalsContact O-CB 3.27Å; R110-L113 WeakPolarHBondContact O-CB 3.43Å; R110-L113 WeakPolarHBondContact O-CG 3.46Å; R110-L113 PolarHBondContact O-N 2.89Å; R110-F171 HydrophobicContact CB-CE1 3.99Å; R110-F171 HydrophobicContact CB-CZ 4.01Å; R110-F171 PolarHBondContact NE-O 2.79Å; R110-F171 PolarHBondContact NH2-O 2.72Å; R110-F171 WeakPolarHBondContact O-CE1 3.41Å; R110-F171 WeakPolarHBondContact O-CZ 3.21Å; R110-L172 HydrophobicContact CB-CD2 3.9Å
111	L	98.8	Very high	97	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-52	-33.6	172.7	-76.3	172.9	0	0	0	113	C68 V95 V103 E108 P109 L113 V114 F168 L172	C68-L111 VanDerWaalsContact CA-O 3.3Å; C68-L111 WeakPolarHBondContact CA-O 3.24Å; V95-L111 HydrophobicContact CG2-CD2 3.99Å; V103-L111 HydrophobicContact CG1-CD1 4.08Å; E108-L111 HydrophobicContact CB-CD1 3.99Å; E108-L111 HydrophobicContact CB-CG 4.05Å; E108-L111 VanDerWaalsContact O-CB 3.28Å; E108-L111 WeakPolarHBondContact O-CB 3.34Å; E108-L111 WeakPolarHBondContact O-CG 3.45Å; E108-L111 PolarHBondContact O-N 3.02Å; P109-L111 PolarHBondContact O-N 3.47Å; L111-L113 PolarHBondContact O-N 3.5Å; L111-L113 VanDerWaalsContact O-N 3.08Å; L111-V114 WeakPolarHBondContact O-CB 3.44Å; L111-V114 PolarHBondContact O-N 3.3Å; L111-F168 HydrophobicContact CD2-CD1 4.06Å; L111-F168 HydrophobicContact CD2-CE1 3.84Å; L111-L172 HydrophobicContact CD2-CD1 4.01Å; L111-L172 HydrophobicContact CD2-CD2 4.4Å; L111-L172 HydrophobicContact CG-CD1 4.38Å; L111-L172 HydrophobicContact CG-CD2 4.35Å
112	V	98.6	Very high	96.8	Very high	8 Å²	8	42.4 Å²	42.4	5%	0.048	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-63	-17.6	179.4	-52	0	0	0	0	113.5	K69 A105 P109 R110 V277	K69-V112 WeakPolarHBondContact CB-O 3.41Å; K69-V112 WeakPolarHBondContact CE-O 3.25Å; A105-V112 HydrophobicContact CB-CG1 3.85Å; P109-V112 WeakPolarHBondContact O-CG2 3.29Å; P109-V112 PolarHBondContact O-N 3.06Å; P109-V112 VanDerWaalsContact O-N 3.09Å; R110-V112 PolarHBondContact O-N 2.95Å; R110-V112 VanDerWaalsContact O-N 3.13Å; V112-V277 HydrophobicContact CB-CG1 4.48Å; V112-V277 HydrophobicContact CG1-CB 4.49Å; V112-V277 HydrophobicContact CG1-CG1 3.8Å; V112-V277 HydrophobicContact CG2-CG1 3.86Å
113	L	98.8	Very high	96.8	Very high	16 Å²	16	41.2 Å²	41.2	8%	0.084	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-82.6	-18.3	177.5	-53.6	178.5	0	0	0	112.8	R110 L111 S115 P128 F171 D280	R110-L113 VanDerWaalsContact O-CB 3.27Å; R110-L113 WeakPolarHBondContact O-CB 3.43Å; R110-L113 WeakPolarHBondContact O-CG 3.46Å; R110-L113 PolarHBondContact O-N 2.89Å; L111-L113 PolarHBondContact O-N 3.5Å; L111-L113 VanDerWaalsContact O-N 3.08Å; L113-S115 PolarHBondContact O-N 3.24Å; L113-S115 VanDerWaalsContact O-N 3.12Å; L113-P128 HydrophobicContact CB-CG 4.39Å; L113-P128 HydrophobicContact CD1-CG 4.33Å; L113-F171 HydrophobicContact CB-CZ 4.09Å; L113-F171 HydrophobicContact CD1-CZ 4.4Å; L113-D280 VanDerWaalsContact CD2-C 3.46Å; L113-D280 WeakPolarHBondContact CD2-O 3.24Å
114	V	98.8	Very high	96.8	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.			trans	-69.9	109	175.1	-179.2	0	0	0	0	108.4	C68 K69 L111 I116 F125 A127 W167 F168 F171	C68-V114 HydrophobicContact CB-CB 4.12Å; C68-V114 HydrophobicContact CB-CG1 4.44Å; K69-V114 WeakPolarHBondContact CB-O 3.37Å; K69-V114 PolarHBondContact N-O 3.19Å; L111-V114 WeakPolarHBondContact O-CB 3.44Å; L111-V114 PolarHBondContact O-N 3.3Å; V114-I116 HydrophobicContact CG1-CD1 4.43Å; V114-F125 HydrophobicContact CG1-CD1 4.1Å; V114-A127 HydrophobicContact CG2-CB 4.26Å; V114-W167 HydrophobicContact CG1-CH2 3.94Å; V114-W167 HydrophobicContact CG1-CZ3 4.01Å; V114-W167 HydrophobicContact CG2-CH2 4.16Å; V114-W167 HydrophobicContact CG2-CZ3 4.08Å; V114-F168 HydrophobicContact CG1-CE1 4.37Å; V114-F168 HydrophobicContact CG1-CZ 4.17Å; V114-F168 HydrophobicContact CG2-CE1 4.15Å; V114-F171 HydrophobicContact CG2-CD1 3.86Å; V114-F171 HydrophobicContact CG2-CE1 3.62Å; V114-F171 HydrophobicContact CG2-CZ 4.44Å
115	S	98.3	Very high	96.8	Very high	41 Å²	41	42 Å²	42	29%	0.287	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	149.5	173.4	63.6	0	0	0	0	110.9	L113 F125 K126	L113-S115 PolarHBondContact O-N 3.24Å; L113-S115 VanDerWaalsContact O-N 3.12Å; S115-F125 WeakPolarHBondContact O-CA 3.31Å; S115-K126 PolarHBondContact N-O 3.16Å; S115-K126 PolarHBondContact O-N 2.78Å; S115-K126 PolarHBondContact OG-O 3Å
116	I	97.8	Very high	96.8	Very high	8 Å²	8	46.2 Å²	46.2	4%	0.041	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	124	-178.7	-58.8	93.1	0	0	0	108.2	P64 V65 C68 V71 V114 L123 I124 F125	P64-I116 HydrophobicContact CG-CG2 4.34Å; V65-I116 HydrophobicContact CG2-CD1 3.96Å; V65-I116 HydrophobicContact CG2-CG1 4.08Å; C68-I116 HydrophobicContact CB-CD1 3.81Å; V71-I116 HydrophobicContact CG2-CB 4.41Å; V71-I116 VanDerWaalsContact CG2-O 3.31Å; V71-I116 WeakPolarHBondContact CG2-O 3.41Å; V114-I116 HydrophobicContact CG1-CD1 4.43Å; I116-L123 HydrophobicContact CG2-CB 4.18Å; I116-L123 HydrophobicContact CG2-CD2 3.98Å; I116-L123 HydrophobicContact CG2-CG 4.11Å; I116-I124 CarbonylContact C-O 3.59Å; I116-I124 VanDerWaalsContact CA-O 3.32Å; I116-I124 WeakPolarHBondContact CA-O 3.15Å; I116-F125 HydrophobicContact CG1-CD1 4.1Å; I116-F125 HydrophobicContact CG1-CE1 4.25Å
117	T	95.9	Very high	96.9	Very high	54 Å²	54	44.2 Å²	44.2	33%	0.331	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	166	161.8	68.9	0	0	0	0	110.2	E119 L123 I124	T117-E119 PolarHBondContact OG1-OE1 3.13Å; T117-L123 WeakPolarHBondContact O-CA 3.48Å; T117-I124 PolarHBondContact N-O 3.27Å; T117-I124 PolarHBondContact O-N 3.29Å
118	Y	93.9	Very high	97	Very high	74 Å²	74	42.3 Å²	42.3	29%	0.29	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	114.4	179.9	174.8	-94.3	0	0	0	110.1	N87 L88 N121 C122 L123	N87-Y118 HydrophobicContact CB-CE2 3.81Å; N87-Y118 PolarHBondContact ND2-OH 2.97Å; L88-Y118 HydrophobicContact CD2-CD2 4.23Å; L88-Y118 HydrophobicContact CD2-CG 4.32Å; L88-Y118 HydrophobicContact CG-CD2 4.37Å; L88-Y118 HydrophobicContact CG-CG 4.08Å; Y118-N121 WeakPolarHBondContact OH-CA 3.44Å; Y118-N121 PolarHBondContact OH-OD1 3.49Å; Y118-C122 WeakPolarHBondContact CA-O 3.42Å; Y118-C122 VanDerWaalsContact CD2-O 3.27Å; Y118-C122 WeakPolarHBondContact CD2-O 3.35Å; Y118-L123 HydrophobicContact CD2-CD1 4.13Å
119	E	93.2	Very high	96.9	Very high	96 Å²	96	49 Å²	49	45%	0.449	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	140.9	-173	-70.5	164.6	-129.3	0	0	108.3	T117 N121 C122 I124	T117-E119 PolarHBondContact OG1-OE1 3.13Å; E119-N121 PolarHBondContact O-N 3.2Å; E119-C122 PolarHBondContact N-O 2.82Å; E119-C122 VanDerWaalsContact N-O 3.1Å; E119-C122 PolarHBondContact O-N 3.44Å; E119-I124 HydrophobicContact CB-CD1 4.03Å; E119-I124 HydrophobicContact CG-CD1 4.37Å
120	N	91.4	Very high	96.9	Very high	161 Å²	161	50.1 Å²	50.1	86%	0.861	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	38.4	173	-58.6	-33.1	0	0	0	115.5	C122	N120-C122 PolarHBondContact O-N 3.03Å
121	N	92.5	Very high	96.9	Very high	80 Å²	80	52.7 Å²	52.7	43%	0.428	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	22.1	-176.5	-163.7	50.9	0	0	0	115.3	N87 Y118 E119 S137	N87-N121 PolarHBondContact ND2-OD1 2.85Å; Y118-N121 WeakPolarHBondContact OH-CA 3.44Å; Y118-N121 PolarHBondContact OH-OD1 3.49Å; E119-N121 PolarHBondContact O-N 3.2Å; N121-S137 PolarHBondContact ND2-OG 2.85Å; N121-S137 WeakPolarHBondContact O-CB 3.33Å; N121-S137 PolarHBondContact O-N 2.92Å; N121-S137 PolarHBondContact O-OG 3.2Å; N121-S137 WeakPolarHBondContact OD1-CB 3.28Å; N121-S137 PolarHBondContact OD1-OG 3.22Å
122	C	95.8	Very high	96.9	Very high	33 Å²	33	58.1 Å²	58.1	22%	0.223	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	152.7	173.1	-67.3	0	0	0	0	111.5	Y118 E119 N120 V134 L135	Y118-C122 WeakPolarHBondContact CA-O 3.42Å; Y118-C122 VanDerWaalsContact CD2-O 3.27Å; Y118-C122 WeakPolarHBondContact CD2-O 3.35Å; E119-C122 PolarHBondContact N-O 2.82Å; E119-C122 VanDerWaalsContact N-O 3.1Å; E119-C122 PolarHBondContact O-N 3.44Å; N120-C122 PolarHBondContact O-N 3.03Å; C122-V134 HydrophobicContact CB-CG1 3.69Å; C122-L135 CarbonylContact C-O 3.49Å; C122-L135 WeakPolarHBondContact CA-O 3.29Å; C122-L135 WeakPolarHBondContact CB-O 3.11Å
123	L	97	Very high	96.9	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	128	162.9	-78.3	74.5	0	0	0	107.7	P64 L88 W93 I116 T117 Y118 F125 L135	P64-L123 HydrophobicContact CB-CD2 4.42Å; L88-L123 HydrophobicContact CD2-CD1 4.43Å; L88-L123 HydrophobicContact CD2-CD2 4.21Å; L88-L123 HydrophobicContact CD2-CG 4.04Å; W93-L123 HydrophobicContact CD2-CD2 4.35Å; W93-L123 HydrophobicContact CZ2-CD1 3.94Å; W93-L123 HydrophobicContact CZ2-CD2 3.89Å; I116-L123 HydrophobicContact CG2-CB 4.18Å; I116-L123 HydrophobicContact CG2-CD2 3.98Å; I116-L123 HydrophobicContact CG2-CG 4.11Å; T117-L123 WeakPolarHBondContact O-CA 3.48Å; Y118-L123 HydrophobicContact CD2-CD1 4.13Å; L123-F125 HydrophobicContact CB-CD2 4.23Å; L123-F125 HydrophobicContact CB-CE2 3.53Å; L123-F125 HydrophobicContact CB-CZ 4.2Å; L123-F125 HydrophobicContact CD2-CE2 4.31Å; L123-F125 HydrophobicContact CD2-CZ 4.14Å; L123-L135 PolarHBondContact N-O 2.95Å; L123-L135 PolarHBondContact O-N 2.85Å
124	I	98.2	Very high	96.9	Very high	17 Å²	17	60 Å²	60	9%	0.087	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	118.5	175.8	-53.8	175.3	0	0	0	107.8	I116 T117 E119 K126 Q132 L133 V134	I116-I124 CarbonylContact C-O 3.59Å; I116-I124 VanDerWaalsContact CA-O 3.32Å; I116-I124 WeakPolarHBondContact CA-O 3.15Å; T117-I124 PolarHBondContact N-O 3.27Å; T117-I124 PolarHBondContact O-N 3.29Å; E119-I124 HydrophobicContact CB-CD1 4.03Å; E119-I124 HydrophobicContact CG-CD1 4.37Å; I124-K126 HydrophobicContact CG2-CG 4.3Å; I124-Q132 HydrophobicContact CG2-CB 4.14Å; I124-L133 WeakPolarHBondContact CA-O 3.4Å; I124-V134 HydrophobicContact CG1-CG1 4.41Å; I124-V134 HydrophobicContact CG1-CG2 4.31Å; I124-V134 HydrophobicContact CG2-CG2 4.37Å
125	F	98.6	Very high	96.8	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	130.5	-179.1	-61.8	-115.7	0	0	0	108.9	V65 V114 S115 I116 L123 Q132 L133 L135 W167 F168 L179	V65-F125 HydrophobicContact CG2-CE1 3.64Å; V65-F125 HydrophobicContact CG2-CZ 4.29Å; V114-F125 HydrophobicContact CG1-CD1 4.1Å; S115-F125 WeakPolarHBondContact O-CA 3.31Å; I116-F125 HydrophobicContact CG1-CD1 4.1Å; I116-F125 HydrophobicContact CG1-CE1 4.25Å; L123-F125 HydrophobicContact CB-CD2 4.23Å; L123-F125 HydrophobicContact CB-CE2 3.53Å; L123-F125 HydrophobicContact CB-CZ 4.2Å; L123-F125 HydrophobicContact CD2-CE2 4.31Å; L123-F125 HydrophobicContact CD2-CZ 4.14Å; F125-Q132 WeakPolarHBondContact O-CA 3.45Å; F125-L133 HydrophobicContact CB-CB 4.14Å; F125-L133 HydrophobicContact CB-CD2 4.32Å; F125-L133 HydrophobicContact CD2-CD2 4.22Å; F125-L133 HydrophobicContact CD2-CG 4.4Å; F125-L133 HydrophobicContact CG-CD2 4.21Å; F125-L133 PolarHBondContact N-O 3.48Å; F125-L133 PolarHBondContact O-N 3.36Å; F125-L133 VanDerWaalsContact O-N 3.07Å; F125-L135 HydrophobicContact CD2-CD1 4.41Å; F125-L135 HydrophobicContact CE2-CB 4.17Å; F125-L135 HydrophobicContact CE2-CD1 3.72Å; F125-L135 HydrophobicContact CE2-CG 4.1Å; F125-L135 HydrophobicContact CZ-CD1 4.05Å; F125-W167 HydrophobicContact CB-CH2 4.13Å; F125-W167 HydrophobicContact CB-CZ2 4.31Å; F125-W167 HydrophobicContact CB-CZ3 4.44Å; F125-F168 HydrophobicContact CD1-CE2 4.09Å; F125-F168 HydrophobicContact CD1-CZ 4.01Å; F125-F168 HydrophobicContact CE1-CE2 4.15Å; F125-F168 HydrophobicContact CE1-CZ 4.14Å; F125-L179 HydrophobicContact CE1-CD2 3.91Å; F125-L179 HydrophobicContact CZ-CD2 3.74Å
126	K	98.7	Very high	96.7	Very high	90 Å²	90	60.8 Å²	60.8	39%	0.391	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	137.5	177.3	-59.2	-179.8	-177.1	178.5	0	110.2	S115 I124 Q132	S115-K126 PolarHBondContact N-O 3.16Å; S115-K126 PolarHBondContact O-N 2.78Å; S115-K126 PolarHBondContact OG-O 3Å; I124-K126 HydrophobicContact CG2-CG 4.3Å; K126-Q132 HydrophobicContact CG-CB 4.16Å
127	A	98.4	Very high	96.5	Very high	14 Å²	14	61 Å²	61	12%	0.116	33%	0.325	C	S	.	.			trans	-144.7	162.9	175.7	0	0	0	0	0	109.8	V114 D129 M130 W167 F171	V114-A127 HydrophobicContact CG2-CB 4.26Å; A127-D129 PolarHBondContact O-N 2.88Å; A127-M130 HydrophobicContact CB-CG 4.48Å; A127-M130 PolarHBondContact O-N 2.98Å; A127-W167 HydrophobicContact CB-CH2 3.63Å; A127-W167 HydrophobicContact CB-CZ2 3.96Å; A127-F171 HydrophobicContact CB-CD1 4.4Å; A127-F171 HydrophobicContact CB-CD2 3.68Å; A127-F171 HydrophobicContact CB-CE1 4.28Å; A127-F171 HydrophobicContact CB-CE2 3.55Å; A127-F171 HydrophobicContact CB-CG 4.13Å; A127-F171 HydrophobicContact CB-CZ 3.88Å
128	P	98.1	Very high	96.5	Very high	59 Å²	59	66 Å²	66	38%	0.383	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	137.9	177.1	-26.3	35.7	0	0	0	112.3	L113 M130	L113-P128 HydrophobicContact CB-CG 4.39Å; L113-P128 HydrophobicContact CD1-CG 4.33Å; P128-M130 PolarHBondContact O-N 2.89Å
129	D	96.5	Very high	96.6	Very high	163 Å²	163	63 Å²	63	87%	0.872	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	28.2	176.1	-42.5	-50	0	0	0	114.9	A127	A127-D129 PolarHBondContact O-N 2.88Å
130	M	98.3	Very high	96.8	Very high	47 Å²	47	61.1 Å²	61.1	23%	0.232	33%	0.327	C	S	.	.			trans	-130.5	139.4	179.7	-67.5	-67.9	-60.2	0	0	111.3	A127 P128 W167 N170 F171	A127-M130 HydrophobicContact CB-CG 4.48Å; A127-M130 PolarHBondContact O-N 2.98Å; P128-M130 PolarHBondContact O-N 2.89Å; M130-W167 HydrophobicContact CB-CZ2 4.07Å; M130-W167 VanDerWaalsContact CE-CD1 3.48Å; M130-W167 HydrophobicContact CE-CD2 4.03Å; M130-W167 HydrophobicContact CE-CG 3.8Å; M130-W167 WeakPolarHBondContact CE-O 3.15Å; M130-N170 HydrophobicContact CE-CB 3.87Å; M130-N170 HydrophobicContact SD-CB 4.23Å; M130-F171 HydrophobicContact CE-CB 4.21Å; M130-F171 HydrophobicContact CG-CB 3.98Å; M130-F171 HydrophobicContact CG-CD2 3.74Å; M130-F171 HydrophobicContact CG-CG 4.25Å; M130-F171 HydrophobicContact SD-CB 4.01Å
131	D	97.9	Very high	96.9	Very high	144 Å²	144	58.2 Å²	58.2	77%	0.77	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-59.7	156	164.5	-68.3	-50.7	0	0	0	111.1	W167	D131-W167 PolarHBondContact O-NE1 3.34Å
132	Q	97.9	Very high	97.1	Very high	114 Å²	114	59.5 Å²	59.5	53%	0.533	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-70.8	133	177.1	67.4	-177.1	4.6	0	0	111.4	I124 F125 K126 V134	I124-Q132 HydrophobicContact CG2-CB 4.14Å; F125-Q132 WeakPolarHBondContact O-CA 3.45Å; K126-Q132 HydrophobicContact CG-CB 4.16Å; Q132-V134 HydrophobicContact CG-CG2 4.45Å
133	L	98.6	Very high	97.3	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	129.8	170.9	166.2	76.9	0	0	0	108.9	I124 F125 L135 E163 A164 W167	I124-L133 WeakPolarHBondContact CA-O 3.4Å; F125-L133 HydrophobicContact CB-CB 4.14Å; F125-L133 HydrophobicContact CB-CD2 4.32Å; F125-L133 HydrophobicContact CD2-CD2 4.22Å; F125-L133 HydrophobicContact CD2-CG 4.4Å; F125-L133 HydrophobicContact CG-CD2 4.21Å; F125-L133 PolarHBondContact N-O 3.48Å; F125-L133 PolarHBondContact O-N 3.36Å; F125-L133 VanDerWaalsContact O-N 3.07Å; L133-L135 HydrophobicContact CD1-CD2 4.01Å; L133-L135 HydrophobicContact CD1-CG 4.27Å; L133-L135 HydrophobicContact CD2-CD1 4.08Å; L133-L135 HydrophobicContact CD2-CG 4.23Å; L133-L135 HydrophobicContact CG-CD1 4.45Å; L133-L135 HydrophobicContact CG-CD2 4.35Å; L133-L135 HydrophobicContact CG-CG 4.06Å; L133-E163 HydrophobicContact CD1-CB 4.4Å; L133-E163 HydrophobicContact CD1-CG 3.74Å; L133-A164 HydrophobicContact CD2-CB 4.17Å; L133-W167 HydrophobicContact CB-CB 4.45Å; L133-W167 HydrophobicContact CB-CD2 4Å; L133-W167 HydrophobicContact CB-CG 3.78Å; L133-W167 HydrophobicContact CD1-CB 4.43Å; L133-W167 HydrophobicContact CD2-CB 3.97Å; L133-W167 HydrophobicContact CD2-CD2 4.02Å; L133-W167 HydrophobicContact CD2-CE3 4.21Å; L133-W167 HydrophobicContact CD2-CG 3.92Å; L133-W167 HydrophobicContact CG-CG 4.32Å
134	V	98.3	Very high	97.3	Very high	62 Å²	62	66.5 Å²	66.5	38%	0.376	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	115.8	-178.2	-175.1	0	0	0	0	109.5	C122 I124 Q132	C122-V134 HydrophobicContact CB-CG1 3.69Å; I124-V134 HydrophobicContact CG1-CG1 4.41Å; I124-V134 HydrophobicContact CG1-CG2 4.31Å; I124-V134 HydrophobicContact CG2-CG2 4.37Å; Q132-V134 HydrophobicContact CG-CG2 4.45Å
135	L	97.8	Very high	97.3	Very high	6 Å²	6	69.3 Å²	69.3	3%	0.031	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	140.8	-179	-63	179.3	0	0	0	111.4	W93 C122 L123 F125 L133 C160 A164 L179	W93-L135 HydrophobicContact CZ3-CD1 4.09Å; C122-L135 CarbonylContact C-O 3.49Å; C122-L135 WeakPolarHBondContact CA-O 3.29Å; C122-L135 WeakPolarHBondContact CB-O 3.11Å; L123-L135 PolarHBondContact N-O 2.95Å; L123-L135 PolarHBondContact O-N 2.85Å; F125-L135 HydrophobicContact CD2-CD1 4.41Å; F125-L135 HydrophobicContact CE2-CB 4.17Å; F125-L135 HydrophobicContact CE2-CD1 3.72Å; F125-L135 HydrophobicContact CE2-CG 4.1Å; F125-L135 HydrophobicContact CZ-CD1 4.05Å; L133-L135 HydrophobicContact CD1-CD2 4.01Å; L133-L135 HydrophobicContact CD1-CG 4.27Å; L133-L135 HydrophobicContact CD2-CD1 4.08Å; L133-L135 HydrophobicContact CD2-CG 4.23Å; L133-L135 HydrophobicContact CG-CD1 4.45Å; L133-L135 HydrophobicContact CG-CD2 4.35Å; L133-L135 HydrophobicContact CG-CG 4.06Å; L135-C160 HydrophobicContact CD1-CB 4.12Å; L135-A164 HydrophobicContact CD1-CB 3.84Å; L135-A164 HydrophobicContact CD2-CB 4.19Å; L135-L179 HydrophobicContact CD1-CD2 3.52Å
136	P	96.3	Very high	97.3	Very high	53 Å²	53	70.2 Å²	70.2	34%	0.344	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	144	174.2	26.8	-33.9	0	0	0	111.2	K138 Q139	P136-K138 PolarHBondContact O-N 2.86Å; P136-K138 VanDerWaalsContact O-N 3.09Å; P136-Q139 PolarHBondContact O-NE2 2.78Å
137	S	93.7	Very high	97.2	Very high	13 Å²	13	71.3 Å²	71.3	9%	0.091	39%	0.392	C	S	.	.	S	Bend	trans	-59.3	-23.1	-179.3	71.2	0	0	0	0	114	N121 Q181	N121-S137 PolarHBondContact ND2-OG 2.85Å; N121-S137 WeakPolarHBondContact O-CB 3.33Å; N121-S137 PolarHBondContact O-N 2.92Å; N121-S137 PolarHBondContact O-OG 3.2Å; N121-S137 WeakPolarHBondContact OD1-CB 3.28Å; N121-S137 PolarHBondContact OD1-OG 3.22Å; S137-Q181 PolarHBondContact O-NE2 2.67Å
138	K	95.1	Very high	97.2	Very high	159 Å²	159	70.8 Å²	70.8	69%	0.691	39%	0.387	S	S	*	.	S	Bend	trans	-126.1	116.9	173.9	-179.1	-177.7	179	-175.2	0	108	P136	P136-K138 PolarHBondContact O-N 2.86Å; P136-K138 VanDerWaalsContact O-N 3.09Å
139	Q	96.4	Very high	97.2	Very high	9 Å²	9	72.2 Å²	72.2	4%	0.042	39%	0.385	C	S	.	.			trans	-69	150.6	177.8	-66.9	-59.1	-54.9	0	0	112	W93 P136 S141 R158 C160 Q181	W93-Q139 HydrophobicContact CH2-CG 4.06Å; W93-Q139 HydrophobicContact CZ3-CG 4.2Å; P136-Q139 PolarHBondContact O-NE2 2.78Å; Q139-S141 PolarHBondContact O-N 2.95Å; Q139-R158 HydrophobicContact CB-CG 3.79Å; Q139-C160 HydrophobicContact CG-CB 4.33Å; Q139-Q181 HydrophobicContact CG-CB 4.21Å
140	P	96.5	Very high	97.3	Very high	58 Å²	58	64.5 Å²	64.5	38%	0.377	34%	0.343	S	S	.	.			trans	-55.8	133.5	175.7	-25.2	33.2	0	0	0	112.3	S142 N143	P140-S142 PolarHBondContact O-N 2.8Å; P140-S142 VanDerWaalsContact O-N 3.12Å; P140-N143 WeakPolarHBondContact O-CB 3.5Å; P140-N143 PolarHBondContact O-N 3.1Å
141	S	95.4	Very high	97	Very high	100 Å²	100	66.8 Å²	66.8	70%	0.699	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-12.7	179.8	52.3	0	0	0	0	113.9	Q139 R158	Q139-S141 PolarHBondContact O-N 2.95Å; S141-R158 PolarHBondContact O-NH1 3.18Å
142	S	96.8	Very high	96.9	Very high	106 Å²	106	61.9 Å²	61.9	74%	0.741	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-21	170.6	47	0	0	0	0	113.6	P140	P140-S142 PolarHBondContact O-N 2.8Å; P140-S142 VanDerWaalsContact O-N 3.12Å
143	N	98.1	Very high	96.8	Very high	37 Å²	37	58 Å²	58	20%	0.198	32%	0.318	C	S	.	.	S	Bend	trans	-65	149.9	179.5	-69.6	8.7	0	0	0	110.7	P140 R158 D159	P140-N143 WeakPolarHBondContact O-CB 3.5Å; P140-N143 PolarHBondContact O-N 3.1Å; N143-R158 HydrophobicContact CB-CG 4.12Å; N143-R158 WeakPolarHBondContact O-CD 3.36Å; N143-R158 PolarHBondContact O-NH1 2.81Å; N143-D159 HydrophobicContact CB-CB 4.38Å; N143-D159 VanDerWaalsContact CB-O 3.25Å; N143-D159 WeakPolarHBondContact CB-O 3.16Å; N143-D159 PolarHBondContact ND2-O 2.65Å
144	K	97.8	Very high	96.7	Very high	144 Å²	144	63.1 Å²	63.1	63%	0.626	35%	0.346	S	S	*	.			trans	-59.8	140.7	-175.5	-175.6	172.6	173	-176.6	0	112	D159	K144-D159 HydrophobicContact CB-CB 4.32Å; K144-D159 WeakPolarHBondContact O-CB 3.35Å; K144-D159 PolarHBondContact O-N 3.05Å
145	L	98.1	Very high	96.7	Very high	76 Å²	76	60.6 Å²	60.6	40%	0.398	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	111.9	167.2	-74.4	177.5	0	0	0	110.2	G157 R158 M186	L145-G157 CarbonylContact C-O 3.55Å; L145-G157 WeakPolarHBondContact CA-O 3.41Å; L145-R158 HydrophobicContact CD2-CB 4.31Å; L145-M186 HydrophobicContact CD2-CE 3.36Å
146	H	98.3	Very high	96.8	Very high	20 Å²	20	64.2 Å²	64.2	9%	0.093	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	140.8	175.2	-74.8	-109.9	0	0	0	111.2	I96 K156 G157 D159 V180	I96-H146 HydrophobicContact CD1-CB 3.98Å; H146-K156 WeakPolarHBondContact O-CA 3.35Å; H146-K156 WeakPolarHBondContact O-CD 3.2Å; H146-G157 PolarHBondContact N-O 2.77Å; H146-G157 PolarHBondContact O-N 3.11Å; H146-D159 IonicContact NE2-OD2 3.14Å; H146-V180 HydrophobicContact CB-CG1 4.3Å
147	N	98.1	Very high	96.9	Very high	113 Å²	113	61.7 Å²	61.7	60%	0.604	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	124.7	157.3	-70.1	-32.5	0	0	0	106.9	G100 K156	G100-N147 WeakPolarHBondContact CA-O 3.45Å; N147-K156 WeakPolarHBondContact OD1-CE 3.49Å; N147-K156 PolarHBondContact OD1-NZ 3.3Å
148	C	98.4	Very high	97.1	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.014	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	142.2	-178.6	-51.9	0	0	0	0	109.6	L94 I96 G100 D154 I155	L94-C148 HydrophobicContact CD2-CB 4.3Å; I96-C148 HydrophobicContact CG2-CB 4.35Å; G100-C148 CarbonylContact O-C 3.52Å; G100-C148 WeakPolarHBondContact O-CA 3.5Å; C148-D154 WeakPolarHBondContact O-CA 3.45Å; C148-I155 WeakPolarHBondContact CA-O 3.02Å; C148-I155 HydrophobicContact CB-CG2 3.97Å; C148-I155 WeakPolarHBondContact CB-O 3.29Å; C148-I155 PolarHBondContact N-O 2.97Å; C148-I155 PolarHBondContact O-N 3.13Å
149	R	97.8	Very high	97.3	Very high	90 Å²	90	55.2 Å²	55.2	34%	0.34	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	114.8	-177.7	-164.9	75.2	163.9	172	1.3	110.4	G100 M102 G152 D154	G100-R149 PolarHBondContact O-N 2.88Å; M102-R149 PolarHBondContact N-O 2.78Å; R149-G152 VanDerWaalsContact CZ-C 3.46Å; R149-G152 PolarHBondContact NE-O 3.25Å; R149-G152 PolarHBondContact NH1-O 2.83Å; R149-G152 PolarHBondContact NH2-O 2.99Å; R149-G152 VanDerWaalsContact NH2-O 3.11Å; R149-D154 WeakPolarHBondContact CD-OD1 3.36Å; R149-D154 IonicContact CZ-OD1 2.73Å; R149-D154 IonicContact NE-OD1 2.75Å; R149-D154 IonicContact NH1-OD1 3.19Å; R149-D154 PolarHBondContact NH1-OD1 2.93Å; R149-D154 IonicContact NH1-OD2 3.07Å; R149-D154 PolarHBondContact NH1-OD2 2.86Å
150	I	97.3	Very high	97.4	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	112.8	-178	-46	-174.5	0	0	0	108.8	L94 M102 G152 L153 I155 Y206	L94-I150 HydrophobicContact CD2-CD1 3.69Å; L94-I150 HydrophobicContact CD2-CG1 4.04Å; M102-I150 HydrophobicContact CB-CG1 4.36Å; M102-I150 HydrophobicContact CG-CG2 4.45Å; M102-I150 HydrophobicContact SD-CB 4.26Å; M102-I150 HydrophobicContact SD-CG2 3.5Å; M102-I150 VanDerWaalsContact SD-CG2 3.5Å; I150-G152 VanDerWaalsContact C-N 3.26Å; I150-G152 PolarHBondContact O-N 2.98Å; I150-L153 PolarHBondContact N-O 2.93Å; I150-L153 WeakPolarHBondContact O-CB 3.36Å; I150-L153 PolarHBondContact O-N 3.34Å; I150-I155 HydrophobicContact CD1-CG2 3.59Å; I150-I155 HydrophobicContact CG1-CG2 3.83Å; I150-Y206 HydrophobicContact CD1-CD1 3.35Å; I150-Y206 HydrophobicContact CD1-CE1 4.11Å; I150-Y206 HydrophobicContact CD1-CG 4.06Å
151	F	93.5	Very high	97.5	Very high	95 Å²	95	53.2 Å²	53.2	42%	0.417	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	43.4	-174.2	-56.2	-76.7	0	0	0	113.8	M102 L153 D208	M102-F151 HydrophobicContact CE-CD1 3.71Å; M102-F151 HydrophobicContact CE-CD2 4.32Å; M102-F151 HydrophobicContact CE-CE1 3.82Å; M102-F151 HydrophobicContact CE-CE2 4.38Å; M102-F151 HydrophobicContact CE-CG 4Å; M102-F151 HydrophobicContact CE-CZ 4.18Å; M102-F151 HydrophobicContact SD-CD2 4.34Å; M102-F151 HydrophobicContact SD-CE2 4.28Å; F151-L153 VanDerWaalsContact C-N 3.26Å; F151-L153 PolarHBondContact O-N 3.23Å; F151-D208 HydrophobicContact CE2-CB 4.01Å; F151-D208 WeakPolarHBondContact CE2-OD1 3.43Å; F151-D208 HydrophobicContact CZ-CB 4.25Å; F151-D208 WeakPolarHBondContact CZ-OD1 3.12Å
152	G	93.9	Very high	97.6	Very high	42 Å²	42	54.1 Å²	54.1	43%	0.433	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	11.1	-179.3	0	0	0	0	0	115.1	R149 I150	R149-G152 VanDerWaalsContact CZ-C 3.46Å; R149-G152 PolarHBondContact NE-O 3.25Å; R149-G152 PolarHBondContact NH1-O 2.83Å; R149-G152 PolarHBondContact NH2-O 2.99Å; R149-G152 VanDerWaalsContact NH2-O 3.11Å; I150-G152 VanDerWaalsContact C-N 3.26Å; I150-G152 PolarHBondContact O-N 2.98Å
153	L	96.7	Very high	97.6	Very high	31 Å²	31	55.1 Å²	55.1	16%	0.162	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.1	174.5	-59.8	-179.6	0	0	0	111.5	I150 F151 R189 K193 L194	I150-L153 PolarHBondContact N-O 2.93Å; I150-L153 WeakPolarHBondContact O-CB 3.36Å; I150-L153 PolarHBondContact O-N 3.34Å; F151-L153 VanDerWaalsContact C-N 3.26Å; F151-L153 PolarHBondContact O-N 3.23Å; L153-R189 HydrophobicContact CB-CG 4.16Å; L153-R189 HydrophobicContact CD1-CG 4.42Å; L153-K193 HydrophobicContact CD1-CB 3.82Å; L153-K193 HydrophobicContact CD2-CB 3.98Å; L153-K193 HydrophobicContact CD2-CD 4.05Å; L153-L194 HydrophobicContact CD1-CD2 3.57Å; L153-L194 HydrophobicContact CD1-CG 4.11Å
154	D	97.2	Very high	97.7	Very high	110 Å²	110	53.3 Å²	53.3	59%	0.588	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	140.1	177.9	-51.9	-53.4	0	0	0	111.9	C148 R149	C148-D154 WeakPolarHBondContact O-CA 3.45Å; R149-D154 WeakPolarHBondContact CD-OD1 3.36Å; R149-D154 IonicContact CZ-OD1 2.73Å; R149-D154 IonicContact NE-OD1 2.75Å; R149-D154 IonicContact NH1-OD1 3.19Å; R149-D154 PolarHBondContact NH1-OD1 2.93Å; R149-D154 IonicContact NH1-OD2 3.07Å; R149-D154 PolarHBondContact NH1-OD2 2.86Å
155	I	98.4	Very high	97.7	Very high	9 Å²	9	46.8 Å²	46.8	5%	0.046	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	160.3	171.9	-169.2	164.2	0	0	0	108.8	C148 I150 F182 R189 A205 Y206	C148-I155 WeakPolarHBondContact CA-O 3.02Å; C148-I155 HydrophobicContact CB-CG2 3.97Å; C148-I155 WeakPolarHBondContact CB-O 3.29Å; C148-I155 PolarHBondContact N-O 2.97Å; C148-I155 PolarHBondContact O-N 3.13Å; I150-I155 HydrophobicContact CD1-CG2 3.59Å; I150-I155 HydrophobicContact CG1-CG2 3.83Å; I155-F182 HydrophobicContact CD1-CD2 3.84Å; I155-F182 HydrophobicContact CD1-CE2 3.67Å; I155-F182 HydrophobicContact CG1-CD2 4.09Å; I155-F182 HydrophobicContact CG1-CE2 3.9Å; I155-R189 HydrophobicContact CB-CG 4.26Å; I155-R189 HydrophobicContact CD1-CG 4.16Å; I155-A205 WeakPolarHBondContact CD1-O 3.48Å; I155-Y206 HydrophobicContact CD1-CD1 3.95Å; I155-Y206 HydrophobicContact CD1-CE1 3.8Å; I155-Y206 HydrophobicContact CG1-CE1 4.09Å; I155-Y206 HydrophobicContact CG2-CD1 4.22Å; I155-Y206 HydrophobicContact CG2-CE1 3.87Å
156	K	98.4	Very high	97.7	Very high	81 Å²	81	48.2 Å²	48.2	35%	0.352	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	159.2	175.2	-69	-66.8	-166	171.2	0	111.5	H146 N147 M186 Y206	H146-K156 WeakPolarHBondContact O-CA 3.35Å; H146-K156 WeakPolarHBondContact O-CD 3.2Å; N147-K156 WeakPolarHBondContact OD1-CE 3.49Å; N147-K156 PolarHBondContact OD1-NZ 3.3Å; K156-M186 HydrophobicContact CB-CG 4.33Å; K156-M186 HydrophobicContact CB-SD 3.53Å; K156-M186 VanDerWaalsContact CB-SD 3.53Å; K156-Y206 PolarHBondContact O-OH 2.87Å
157	G	98.6	Very high	97.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	140	166.7	0	0	0	0	0	110.9	L145 H146 Q181 Y206	L145-G157 CarbonylContact C-O 3.55Å; L145-G157 WeakPolarHBondContact CA-O 3.41Å; H146-G157 PolarHBondContact N-O 2.77Å; H146-G157 PolarHBondContact O-N 3.11Å; G157-Q181 CarbonylContact C-O 3.59Å; G157-Q181 WeakPolarHBondContact CA-O 3.43Å; G157-Y206 VanDerWaalsContact CA-OH 3.24Å; G157-Y206 WeakPolarHBondContact CA-OH 2.97Å
158	R	98.7	Very high	97.7	Very high	25 Å²	25	42.8 Å²	42.8	9%	0.094	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	126.4	173.2	-175.8	67	62.4	170.5	9.3	109.2	Q139 S141 N143 L145 V180 Q181 E183 M186	Q139-R158 HydrophobicContact CB-CG 3.79Å; S141-R158 PolarHBondContact O-NH1 3.18Å; N143-R158 HydrophobicContact CB-CG 4.12Å; N143-R158 WeakPolarHBondContact O-CD 3.36Å; N143-R158 PolarHBondContact O-NH1 2.81Å; L145-R158 HydrophobicContact CD2-CB 4.31Å; R158-V180 CarbonylContact O-C 3.55Å; R158-V180 WeakPolarHBondContact O-CA 3.41Å; R158-V180 WeakPolarHBondContact O-CB 3.24Å; R158-Q181 PolarHBondContact N-O 3.13Å; R158-Q181 PolarHBondContact O-N 2.63Å; R158-E183 WeakPolarHBondContact CG-OE1 3.46Å; R158-E183 IonicContact CZ-OE1 3.37Å; R158-E183 VanDerWaalsContact CZ-OE1 3.31Å; R158-E183 IonicContact CZ-OE2 2.74Å; R158-E183 IonicContact NE-OE1 2.81Å; R158-E183 PolarHBondContact NE-OE1 2.85Å; R158-E183 IonicContact NE-OE2 3.45Å; R158-E183 IonicContact NH2-OE1 2.72Å; R158-E183 PolarHBondContact NH2-OE1 2.9Å; R158-E183 IonicContact NH2-OE2 3.47Å; R158-E183 PolarHBondContact NH2-OE2 3.11Å; R158-M186 HydrophobicContact CB-CE 4.21Å
159	D	98.7	Very high	97.7	Very high	12 Å²	12	44 Å²	44	6%	0.064	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	141.9	175.9	-171.4	-111.4	0	0	0	112.1	N143 K144 H146 G161 R178	N143-D159 HydrophobicContact CB-CB 4.38Å; N143-D159 VanDerWaalsContact CB-O 3.25Å; N143-D159 WeakPolarHBondContact CB-O 3.16Å; N143-D159 PolarHBondContact ND2-O 2.65Å; K144-D159 HydrophobicContact CB-CB 4.32Å; K144-D159 WeakPolarHBondContact O-CB 3.35Å; K144-D159 PolarHBondContact O-N 3.05Å; H146-D159 IonicContact NE2-OD2 3.14Å; D159-G161 WeakPolarHBondContact OD1-CA 3.47Å; D159-G161 PolarHBondContact OD1-N 2.88Å; D159-R178 IonicContact OD1-CZ 3.63Å; D159-R178 IonicContact OD1-NE 3.8Å; D159-R178 IonicContact OD1-NH2 2.72Å; D159-R178 PolarHBondContact OD1-NH2 2.96Å; D159-R178 IonicContact OD2-CZ 3.83Å; D159-R178 IonicContact OD2-NE 3.18Å; D159-R178 PolarHBondContact OD2-NE 3.42Å; D159-R178 IonicContact OD2-NH2 3.62Å; D159-R178 PolarHBondContact OD2-NH2 2.97Å
160	C	98.4	Very high	97.8	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.02	23%	0.229	C	C	.	.			trans	-100.5	16	-177.4	-52	0	0	0	0	113.6	W93 L135 Q139 A164 L179	W93-C160 HydrophobicContact CZ3-CB 4.2Å; W93-C160 WeakPolarHBondContact CZ3-SG 3.41Å; L135-C160 HydrophobicContact CD1-CB 4.12Å; Q139-C160 HydrophobicContact CG-CB 4.33Å; C160-A164 HydrophobicContact CB-CB 3.9Å; C160-A164 WeakPolarHBondContact O-CB 3.41Å; C160-L179 HydrophobicContact CB-CB 4.06Å; C160-L179 HydrophobicContact CB-CD2 4.07Å; C160-L179 HydrophobicContact CB-CG 4.22Å; C160-L179 WeakPolarHBondContact CB-O 3.43Å; C160-L179 PolarHBondContact N-O 2.79Å; C160-L179 VanDerWaalsContact SG-C 3.51Å; C160-L179 PolarHBondContact SG-O 3.35Å
161	G	97.9	Very high	97.8	Very high	21 Å²	21	43.4 Å²	43.4	22%	0.216	23%	0.23	C	C	.	.	H	α-helix	trans	89.1	164.6	178.2	0	0	0	0	0	114.3	D159 E163 A164 A165 R178	D159-G161 WeakPolarHBondContact OD1-CA 3.47Å; D159-G161 PolarHBondContact OD1-N 2.88Å; G161-E163 VanDerWaalsContact C-N 3.31Å; G161-E163 PolarHBondContact O-N 2.93Å; G161-A164 PolarHBondContact O-N 2.73Å; G161-A165 PolarHBondContact O-N 2.73Å; G161-R178 PolarHBondContact O-NH2 2.79Å
162	N	97.9	Very high	98	Very high	119 Å²	119	39.2 Å²	39.2	64%	0.636	21%	0.212	S	C	*	.	H	α-helix	trans	-68.3	-28.5	-178.1	-71.3	-17.1	0	0	0	113.1	A165 Q166 R178	N162-A165 PolarHBondContact O-N 3.4Å; N162-Q166 WeakPolarHBondContact O-CB 3.47Å; N162-Q166 PolarHBondContact O-N 3.18Å; N162-R178 PolarHBondContact OD1-NH1 2.78Å; N162-R178 PolarHBondContact OD1-NH2 3.39Å
163	E	98.2	Very high	98.1	Very high	127 Å²	127	45.8 Å²	45.8	59%	0.593	23%	0.228	S	C	*	.	H	α-helix	trans	-61.7	-48.9	175.1	-168.2	-171.6	163.8	0	0	111.1	L133 G161 A165 Q166 W167	L133-E163 HydrophobicContact CD1-CB 4.4Å; L133-E163 HydrophobicContact CD1-CG 3.74Å; G161-E163 VanDerWaalsContact C-N 3.31Å; G161-E163 PolarHBondContact O-N 2.93Å; E163-A165 PolarHBondContact O-N 3.18Å; E163-Q166 PolarHBondContact O-N 3.19Å; E163-W167 WeakPolarHBondContact O-CB 3.41Å; E163-W167 PolarHBondContact O-N 3.32Å
164	A	98.4	Very high	98	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62	-41.9	175.8	0	0	0	0	0	112.3	L133 L135 C160 G161 W167 F168 L179	L133-A164 HydrophobicContact CD2-CB 4.17Å; L135-A164 HydrophobicContact CD1-CB 3.84Å; L135-A164 HydrophobicContact CD2-CB 4.19Å; C160-A164 HydrophobicContact CB-CB 3.9Å; C160-A164 WeakPolarHBondContact O-CB 3.41Å; G161-A164 PolarHBondContact O-N 2.73Å; A164-W167 PolarHBondContact O-N 3.19Å; A164-F168 WeakPolarHBondContact O-CD2 3.43Å; A164-F168 PolarHBondContact O-N 2.75Å; A164-F168 VanDerWaalsContact O-N 3.15Å; A164-L179 HydrophobicContact CB-CB 4.07Å; A164-L179 HydrophobicContact CB-CD2 4.31Å
165	A	98.4	Very high	97.9	Very high	6 Å²	6	46.9 Å²	46.9	5%	0.05	24%	0.235	C	C	.	.	H	α-helix	trans	-59.7	-52.4	175.7	0	0	0	0	0	111.7	G161 N162 E163 W167 F168 T169 Y177 R178	G161-A165 PolarHBondContact O-N 2.73Å; N162-A165 PolarHBondContact O-N 3.4Å; E163-A165 PolarHBondContact O-N 3.18Å; A165-W167 VanDerWaalsContact C-N 3.32Å; A165-W167 PolarHBondContact O-N 2.83Å; A165-F168 PolarHBondContact O-N 2.56Å; A165-T169 PolarHBondContact O-N 2.99Å; A165-Y177 VanDerWaalsContact CA-O 3.27Å; A165-Y177 WeakPolarHBondContact CA-O 3.42Å; A165-Y177 VanDerWaalsContact CB-O 3.23Å; A165-Y177 WeakPolarHBondContact CB-O 3.39Å; A165-R178 HydrophobicContact CB-CB 4.38Å; A165-R178 HydrophobicContact CB-CG 4Å
166	Q	98.4	Very high	97.8	Very high	106 Å²	106	50.6 Å²	50.6	50%	0.495	26%	0.257	S	S	.	.	H	α-helix	trans	-61.6	-39.8	179.6	-167.7	65.7	55.3	0	0	111.9	N162 E163 T169 N170	N162-Q166 WeakPolarHBondContact O-CB 3.47Å; N162-Q166 PolarHBondContact O-N 3.18Å; E163-Q166 PolarHBondContact O-N 3.19Å; Q166-T169 PolarHBondContact O-N 3.46Å; Q166-N170 PolarHBondContact NE2-OD1 3.34Å; Q166-N170 VanDerWaalsContact O-CB 3.24Å; Q166-N170 WeakPolarHBondContact O-CB 3.32Å; Q166-N170 PolarHBondContact O-N 3.05Å; Q166-N170 PolarHBondContact O-OD1 2.8Å
167	W	98.8	Very high	97.8	Very high	19 Å²	19	46.8 Å²	46.8	7%	0.072	24%	0.241	C	C	.	.	H	α-helix	trans	-62	-48.2	178.4	-170.1	94	0	0	0	112.2	V114 F125 A127 M130 D131 L133 E163 A164 A165 N170 F171	V114-W167 HydrophobicContact CG1-CH2 3.94Å; V114-W167 HydrophobicContact CG1-CZ3 4.01Å; V114-W167 HydrophobicContact CG2-CH2 4.16Å; V114-W167 HydrophobicContact CG2-CZ3 4.08Å; F125-W167 HydrophobicContact CB-CH2 4.13Å; F125-W167 HydrophobicContact CB-CZ2 4.31Å; F125-W167 HydrophobicContact CB-CZ3 4.44Å; A127-W167 HydrophobicContact CB-CH2 3.63Å; A127-W167 HydrophobicContact CB-CZ2 3.96Å; M130-W167 HydrophobicContact CB-CZ2 4.07Å; M130-W167 VanDerWaalsContact CE-CD1 3.48Å; M130-W167 HydrophobicContact CE-CD2 4.03Å; M130-W167 HydrophobicContact CE-CG 3.8Å; M130-W167 WeakPolarHBondContact CE-O 3.15Å; D131-W167 PolarHBondContact O-NE1 3.34Å; L133-W167 HydrophobicContact CB-CB 4.45Å; L133-W167 HydrophobicContact CB-CD2 4Å; L133-W167 HydrophobicContact CB-CG 3.78Å; L133-W167 HydrophobicContact CD1-CB 4.43Å; L133-W167 HydrophobicContact CD2-CB 3.97Å; L133-W167 HydrophobicContact CD2-CD2 4.02Å; L133-W167 HydrophobicContact CD2-CE3 4.21Å; L133-W167 HydrophobicContact CD2-CG 3.92Å; L133-W167 HydrophobicContact CG-CG 4.32Å; E163-W167 WeakPolarHBondContact O-CB 3.41Å; E163-W167 PolarHBondContact O-N 3.32Å; A164-W167 PolarHBondContact O-N 3.19Å; A165-W167 VanDerWaalsContact C-N 3.32Å; A165-W167 PolarHBondContact O-N 2.83Å; W167-N170 PolarHBondContact O-N 2.94Å; W167-F171 WeakPolarHBondContact O-CB 2.96Å; W167-F171 PolarHBondContact O-N 3.42Å
168	F	98.6	Very high	97.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.5	-38.7	177.6	-87.6	-84.4	0	0	0	112.4	V95 L111 V114 F125 A164 A165 F171 L172 L179	V95-F168 HydrophobicContact CG1-CD1 4.32Å; V95-F168 HydrophobicContact CG2-CD1 3.59Å; V95-F168 HydrophobicContact CG2-CE1 3.45Å; V95-F168 VanDerWaalsContact CG2-CE1 3.45Å; V95-F168 HydrophobicContact CG2-CG 4.2Å; V95-F168 HydrophobicContact CG2-CZ 3.97Å; L111-F168 HydrophobicContact CD2-CD1 4.06Å; L111-F168 HydrophobicContact CD2-CE1 3.84Å; V114-F168 HydrophobicContact CG1-CE1 4.37Å; V114-F168 HydrophobicContact CG1-CZ 4.17Å; V114-F168 HydrophobicContact CG2-CE1 4.15Å; F125-F168 HydrophobicContact CD1-CE2 4.09Å; F125-F168 HydrophobicContact CD1-CZ 4.01Å; F125-F168 HydrophobicContact CE1-CE2 4.15Å; F125-F168 HydrophobicContact CE1-CZ 4.14Å; A164-F168 WeakPolarHBondContact O-CD2 3.43Å; A164-F168 PolarHBondContact O-N 2.75Å; A164-F168 VanDerWaalsContact O-N 3.15Å; A165-F168 PolarHBondContact O-N 2.56Å; F168-F171 PolarHBondContact O-N 3Å; F168-L172 WeakPolarHBondContact O-CB 3.35Å; F168-L172 WeakPolarHBondContact O-CG 3.5Å; F168-L172 PolarHBondContact O-N 3.09Å; F168-L172 VanDerWaalsContact O-N 3.08Å; F168-L179 HydrophobicContact CD2-CB 4.25Å; F168-L179 HydrophobicContact CE2-CB 4.29Å; F168-L179 HydrophobicContact CE2-CD1 3.87Å; F168-L179 HydrophobicContact CE2-CD2 4.03Å; F168-L179 HydrophobicContact CE2-CG 4.29Å; F168-L179 HydrophobicContact CZ-CD1 4.12Å
169	T	98.4	Very high	97.8	Very high	27 Å²	27	47.7 Å²	47.7	17%	0.166	24%	0.244	C	C	.	.	H	α-helix	trans	-65	-42.9	173.3	-78.5	0	0	0	0	112.5	A165 Q166 F171 K173 E175 V176 Y177	A165-T169 PolarHBondContact O-N 2.99Å; Q166-T169 PolarHBondContact O-N 3.46Å; T169-F171 VanDerWaalsContact C-N 3.31Å; T169-F171 PolarHBondContact O-N 2.98Å; T169-K173 WeakPolarHBondContact O-CA 3.3Å; T169-K173 PolarHBondContact O-N 3.32Å; T169-E175 PolarHBondContact OG1-O 2.86Å; T169-V176 WeakPolarHBondContact OG1-CA 3.33Å; T169-Y177 PolarHBondContact OG1-N 2.63Å
170	N	98.3	Very high	97.8	Very high	75 Å²	75	47.1 Å²	47.1	40%	0.401	24%	0.241	S	C	.	.	H	α-helix	trans	-65.2	-33.7	177.6	-76.1	-0.2	0	0	0	112.8	M130 Q166 W167 K173	M130-N170 HydrophobicContact CE-CB 3.87Å; M130-N170 HydrophobicContact SD-CB 4.23Å; Q166-N170 PolarHBondContact NE2-OD1 3.34Å; Q166-N170 VanDerWaalsContact O-CB 3.24Å; Q166-N170 WeakPolarHBondContact O-CB 3.32Å; Q166-N170 PolarHBondContact O-N 3.05Å; Q166-N170 PolarHBondContact O-OD1 2.8Å; W167-N170 PolarHBondContact O-N 2.94Å; N170-K173 WeakPolarHBondContact O-CE 3.27Å; N170-K173 WeakPolarHBondContact O-CG 3.21Å
171	F	98.5	Very high	97.8	Very high	3 Å²	3	47.9 Å²	47.9	1%	0.013	24%	0.244	C	C	.	.	H	α-helix	trans	-77.1	-38.3	179.3	174.4	-113.4	0	0	0	113.6	R110 L113 V114 A127 M130 W167 F168 T169	R110-F171 HydrophobicContact CB-CE1 3.99Å; R110-F171 HydrophobicContact CB-CZ 4.01Å; R110-F171 PolarHBondContact NE-O 2.79Å; R110-F171 PolarHBondContact NH2-O 2.72Å; R110-F171 WeakPolarHBondContact O-CE1 3.41Å; R110-F171 WeakPolarHBondContact O-CZ 3.21Å; L113-F171 HydrophobicContact CB-CZ 4.09Å; L113-F171 HydrophobicContact CD1-CZ 4.4Å; V114-F171 HydrophobicContact CG2-CD1 3.86Å; V114-F171 HydrophobicContact CG2-CE1 3.62Å; V114-F171 HydrophobicContact CG2-CZ 4.44Å; A127-F171 HydrophobicContact CB-CD1 4.4Å; A127-F171 HydrophobicContact CB-CD2 3.68Å; A127-F171 HydrophobicContact CB-CE1 4.28Å; A127-F171 HydrophobicContact CB-CE2 3.55Å; A127-F171 HydrophobicContact CB-CG 4.13Å; A127-F171 HydrophobicContact CB-CZ 3.88Å; M130-F171 HydrophobicContact CE-CB 4.21Å; M130-F171 HydrophobicContact CG-CB 3.98Å; M130-F171 HydrophobicContact CG-CD2 3.74Å; M130-F171 HydrophobicContact CG-CG 4.25Å; M130-F171 HydrophobicContact SD-CB 4.01Å; W167-F171 WeakPolarHBondContact O-CB 2.96Å; W167-F171 PolarHBondContact O-N 3.42Å; F168-F171 PolarHBondContact O-N 3Å; T169-F171 VanDerWaalsContact C-N 3.31Å; T169-F171 PolarHBondContact O-N 2.98Å
172	L	97.6	Very high	97.9	Very high	8 Å²	8	47 Å²	47	4%	0.042	24%	0.235	C	C	.	.	H	α-helix	trans	-89.1	-34.7	-176.3	-63.4	175.8	0	0	0	112.9	E108 R110 L111 F168 T174 Y177	E108-L172 HydrophobicContact CB-CD1 4.26Å; E108-L172 HydrophobicContact CB-CD2 4.2Å; E108-L172 HydrophobicContact CG-CD1 4.17Å; R110-L172 HydrophobicContact CB-CD2 3.9Å; L111-L172 HydrophobicContact CD2-CD1 4.01Å; L111-L172 HydrophobicContact CD2-CD2 4.4Å; L111-L172 HydrophobicContact CG-CD1 4.38Å; L111-L172 HydrophobicContact CG-CD2 4.35Å; F168-L172 WeakPolarHBondContact O-CB 3.35Å; F168-L172 WeakPolarHBondContact O-CG 3.5Å; F168-L172 PolarHBondContact O-N 3.09Å; F168-L172 VanDerWaalsContact O-N 3.08Å; L172-T174 PolarHBondContact O-N 3.19Å; L172-Y177 HydrophobicContact CB-CD2 4.1Å; L172-Y177 HydrophobicContact CB-CE2 3.74Å; L172-Y177 HydrophobicContact CD1-CD2 3.6Å; L172-Y177 HydrophobicContact CD1-CE2 3.59Å; L172-Y177 HydrophobicContact CD1-CG 4.47Å; L172-Y177 HydrophobicContact CG-CD2 4.42Å; L172-Y177 HydrophobicContact CG-CE2 4.31Å
173	K	95.6	Very high	97.8	Very high	180 Å²	180	42.8 Å²	42.8	78%	0.783	21%	0.211	S	C	*	.			trans	60.5	19.2	173.8	-54.9	-175.8	174.8	176	0	116	T169 N170	T169-K173 WeakPolarHBondContact O-CA 3.3Å; T169-K173 PolarHBondContact O-N 3.32Å; N170-K173 WeakPolarHBondContact O-CE 3.27Å; N170-K173 WeakPolarHBondContact O-CG 3.21Å
174	T	94	Very high	97.6	Very high	81 Å²	81	41.9 Å²	41.9	50%	0.497	21%	0.214	S	C	.	.	S	Bend	trans	-107.7	-48.9	-176.6	42	0	0	0	0	113.2	E108 L172 Y177	E108-T174 VanDerWaalsContact OE1-CB 3.24Å; E108-T174 WeakPolarHBondContact OE1-CB 3.37Å; E108-T174 WeakPolarHBondContact OE1-CG2 3.43Å; E108-T174 PolarHBondContact OE1-OG1 3.37Å; L172-T174 PolarHBondContact O-N 3.19Å; T174-Y177 WeakPolarHBondContact OG1-CE2 3.4Å; T174-Y177 PolarHBondContact OG1-OH 2.95Å
175	E	95.3	Very high	97.4	Very high	82 Å²	82	48 Å²	48	38%	0.383	25%	0.247	S	C	.	.	S	Bend	trans	-144.8	177.7	177.5	-52.9	171.1	125.3	0	0	112.4	K97 T169 Y177	K97-E175 WeakPolarHBondContact CE-OE2 3.36Å; K97-E175 IonicContact NZ-OE1 2.65Å; K97-E175 PolarHBondContact NZ-OE1 2.88Å; K97-E175 IonicContact NZ-OE2 3.34Å; K97-E175 PolarHBondContact NZ-OE2 2.9Å; T169-E175 PolarHBondContact OG1-O 2.86Å; E175-Y177 HydrophobicContact CB-CE1 3.82Å; E175-Y177 HydrophobicContact CB-CE2 4.28Å; E175-Y177 WeakPolarHBondContact CB-OH 3.44Å; E175-Y177 WeakPolarHBondContact O-CD2 3.42Å; E175-Y177 WeakPolarHBondContact O-CE2 3.47Å; E175-Y177 WeakPolarHBondContact OE2-CE1 3.24Å; E175-Y177 PolarHBondContact OE2-OH 2.9Å
176	V	97	Very high	97.3	Very high	87 Å²	87	48.8 Å²	48.8	53%	0.527	25%	0.25	S	S	.	.			trans	-77.7	124.3	169.7	-177.9	0	0	0	0	110	T169	T169-V176 WeakPolarHBondContact OG1-CA 3.33Å
177	Y	98.4	Very high	97.2	Very high	1 Å²	1	51.8 Å²	51.8	0%	0.004	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	153.9	-176	-62.9	-50.2	0	0	0	111.6	V95 I96 K97 V103 E108 A165 T169 L172 T174 E175	V95-Y177 HydrophobicContact CG1-CD1 4.41Å; V95-Y177 HydrophobicContact CG1-CG 4.18Å; I96-Y177 CarbonylContact O-C 3.58Å; I96-Y177 WeakPolarHBondContact O-CA 3.44Å; K97-Y177 HydrophobicContact CG-CD1 4.46Å; K97-Y177 HydrophobicContact CG-CE1 4.14Å; V103-Y177 HydrophobicContact CG1-CE1 4.22Å; V103-Y177 HydrophobicContact CG2-CD1 3.63Å; V103-Y177 HydrophobicContact CG2-CE1 3.57Å; E108-Y177 PolarHBondContact OE1-OH 3.03Å; A165-Y177 VanDerWaalsContact CA-O 3.27Å; A165-Y177 WeakPolarHBondContact CA-O 3.42Å; A165-Y177 VanDerWaalsContact CB-O 3.23Å; A165-Y177 WeakPolarHBondContact CB-O 3.39Å; T169-Y177 PolarHBondContact OG1-N 2.63Å; L172-Y177 HydrophobicContact CB-CD2 4.1Å; L172-Y177 HydrophobicContact CB-CE2 3.74Å; L172-Y177 HydrophobicContact CD1-CD2 3.6Å; L172-Y177 HydrophobicContact CD1-CE2 3.59Å; L172-Y177 HydrophobicContact CD1-CG 4.47Å; L172-Y177 HydrophobicContact CG-CD2 4.42Å; L172-Y177 HydrophobicContact CG-CE2 4.31Å; T174-Y177 WeakPolarHBondContact OG1-CE2 3.4Å; T174-Y177 PolarHBondContact OG1-OH 2.95Å; E175-Y177 HydrophobicContact CB-CE1 3.82Å; E175-Y177 HydrophobicContact CB-CE2 4.28Å; E175-Y177 WeakPolarHBondContact CB-OH 3.44Å; E175-Y177 WeakPolarHBondContact O-CD2 3.42Å; E175-Y177 WeakPolarHBondContact O-CE2 3.47Å; E175-Y177 WeakPolarHBondContact OE2-CE1 3.24Å; E175-Y177 PolarHBondContact OE2-OH 2.9Å
178	R	98.5	Very high	97.1	Very high	44 Å²	44	51.2 Å²	51.2	17%	0.166	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	149.3	169.1	-54.9	-159.8	68.7	93.6	-2.7	110.2	V95 I96 D159 G161 N162 A165	V95-R178 CarbonylContact C-O 3.55Å; V95-R178 WeakPolarHBondContact CA-O 3.45Å; I96-R178 HydrophobicContact CD1-CB 4.45Å; I96-R178 HydrophobicContact CG1-CB 4.04Å; I96-R178 WeakPolarHBondContact CG1-O 3.45Å; I96-R178 PolarHBondContact N-O 3.13Å; I96-R178 PolarHBondContact O-N 2.87Å; D159-R178 IonicContact OD1-CZ 3.63Å; D159-R178 IonicContact OD1-NE 3.8Å; D159-R178 IonicContact OD1-NH2 2.72Å; D159-R178 PolarHBondContact OD1-NH2 2.96Å; D159-R178 IonicContact OD2-CZ 3.83Å; D159-R178 IonicContact OD2-NE 3.18Å; D159-R178 PolarHBondContact OD2-NE 3.42Å; D159-R178 IonicContact OD2-NH2 3.62Å; D159-R178 PolarHBondContact OD2-NH2 2.97Å; G161-R178 PolarHBondContact O-NH2 2.79Å; N162-R178 PolarHBondContact OD1-NH1 2.78Å; N162-R178 PolarHBondContact OD1-NH2 3.39Å; A165-R178 HydrophobicContact CB-CB 4.38Å; A165-R178 HydrophobicContact CB-CG 4Å
179	L	98.8	Very high	97	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	134.7	170.2	-174.6	74	0	0	0	108.8	V65 W93 V95 F125 L135 C160 A164 F168	V65-L179 HydrophobicContact CG1-CD1 3.98Å; W93-L179 HydrophobicContact CB-CD1 4.41Å; W93-L179 HydrophobicContact CE3-CD2 3.63Å; W93-L179 HydrophobicContact CE3-CG 3.98Å; W93-L179 HydrophobicContact CZ3-CD2 3.91Å; V95-L179 HydrophobicContact CG2-CD1 4.08Å; F125-L179 HydrophobicContact CE1-CD2 3.91Å; F125-L179 HydrophobicContact CZ-CD2 3.74Å; L135-L179 HydrophobicContact CD1-CD2 3.52Å; C160-L179 HydrophobicContact CB-CB 4.06Å; C160-L179 HydrophobicContact CB-CD2 4.07Å; C160-L179 HydrophobicContact CB-CG 4.22Å; C160-L179 WeakPolarHBondContact CB-O 3.43Å; C160-L179 PolarHBondContact N-O 2.79Å; C160-L179 VanDerWaalsContact SG-C 3.51Å; C160-L179 PolarHBondContact SG-O 3.35Å; A164-L179 HydrophobicContact CB-CB 4.07Å; A164-L179 HydrophobicContact CB-CD2 4.31Å; F168-L179 HydrophobicContact CD2-CB 4.25Å; F168-L179 HydrophobicContact CE2-CB 4.29Å; F168-L179 HydrophobicContact CE2-CD1 3.87Å; F168-L179 HydrophobicContact CE2-CD2 4.03Å; F168-L179 HydrophobicContact CE2-CG 4.29Å; F168-L179 HydrophobicContact CZ-CD1 4.12Å
180	V	98.9	Very high	97	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	146.7	174.2	-59	0	0	0	0	112.8	W93 L94 I96 H146 R158	W93-V180 CarbonylContact C-O 3.59Å; W93-V180 VanDerWaalsContact CA-O 3.29Å; W93-V180 WeakPolarHBondContact CA-O 3.37Å; L94-V180 HydrophobicContact CB-CG2 3.9Å; L94-V180 HydrophobicContact CD2-CG2 4.37Å; L94-V180 HydrophobicContact CG-CG2 4.4Å; L94-V180 PolarHBondContact N-O 3.01Å; L94-V180 PolarHBondContact O-N 2.91Å; I96-V180 HydrophobicContact CD1-CG1 3.55Å; I96-V180 HydrophobicContact CG1-CG1 4.05Å; I96-V180 HydrophobicContact CG2-CG2 4.16Å; H146-V180 HydrophobicContact CB-CG1 4.3Å; R158-V180 CarbonylContact O-C 3.55Å; R158-V180 WeakPolarHBondContact O-CA 3.41Å; R158-V180 WeakPolarHBondContact O-CB 3.24Å
181	Q	98.7	Very high	96.8	Very high	19 Å²	19	48.3 Å²	48.3	9%	0.089	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	137.9	176.7	-177	178.3	39.6	0	0	111.6	W93 S137 Q139 G157 R158	W93-Q181 HydrophobicContact CD2-CB 4.09Å; W93-Q181 HydrophobicContact CD2-CG 4.16Å; W93-Q181 HydrophobicContact CE3-CB 3.96Å; W93-Q181 HydrophobicContact CE3-CG 4.48Å; W93-Q181 HydrophobicContact CH2-CB 4.36Å; W93-Q181 HydrophobicContact CH2-CG 4.45Å; W93-Q181 HydrophobicContact CZ2-CB 4.43Å; W93-Q181 HydrophobicContact CZ2-CG 4.08Å; W93-Q181 VanDerWaalsContact CZ2-NE2 3.25Å; W93-Q181 HydrophobicContact CZ3-CB 4.13Å; S137-Q181 PolarHBondContact O-NE2 2.67Å; Q139-Q181 HydrophobicContact CG-CB 4.21Å; G157-Q181 CarbonylContact C-O 3.59Å; G157-Q181 WeakPolarHBondContact CA-O 3.43Å; R158-Q181 PolarHBondContact N-O 3.13Å; R158-Q181 PolarHBondContact O-N 2.63Å
182	F	98.6	Very high	96.6	Very high	3 Å²	3	56.2 Å²	56.2	1%	0.013	28%	0.275	C	S	.	.			trans	-84.3	124.7	168.2	-172.3	-94.9	0	0	0	110.9	M81 F92 I155 M186 A205 Y206	M81-F182 HydrophobicContact CE-CD1 4.42Å; M81-F182 HydrophobicContact CE-CE1 3.63Å; M81-F182 HydrophobicContact CE-CZ 3.96Å; M81-F182 HydrophobicContact SD-CE1 4.23Å; F92-F182 HydrophobicContact CD1-CB 4.16Å; F92-F182 AromaticContact CD1-CD1 3.9Å; F92-F182 HydrophobicContact CD1-CD1 3.9Å; F92-F182 WeakPolarHBondContact CD1-O 3.34Å; F92-F182 AromaticContact CE1-CD1 3.51Å; F92-F182 HydrophobicContact CE1-CD1 3.51Å; F92-F182 HydrophobicContact CE1-CE1 4.17Å; F92-F182 HydrophobicContact CZ-CD1 4Å; F92-F182 HydrophobicContact CZ-CE1 4.38Å; F92-F182 PolarHBondContact O-N 3.41Å; I155-F182 HydrophobicContact CD1-CD2 3.84Å; I155-F182 HydrophobicContact CD1-CE2 3.67Å; I155-F182 HydrophobicContact CG1-CD2 4.09Å; I155-F182 HydrophobicContact CG1-CE2 3.9Å; F182-M186 HydrophobicContact CD2-CB 4.15Å; F182-M186 HydrophobicContact CD2-SD 4.19Å; F182-M186 HydrophobicContact CE1-CB 4.48Å; F182-M186 HydrophobicContact CE2-CB 3.59Å; F182-M186 HydrophobicContact CZ-CB 3.8Å; F182-M186 WeakPolarHBondContact CZ-O 3.43Å; F182-A205 HydrophobicContact CB-CB 4.01Å; F182-A205 HydrophobicContact CD1-CB 3.76Å; F182-A205 HydrophobicContact CD2-CB 4.13Å; F182-A205 HydrophobicContact CE1-CB 4.23Å; F182-A205 HydrophobicContact CG-CB 3.69Å; F182-Y206 HydrophobicContact CB-CD2 4.46Å; F182-Y206 HydrophobicContact CB-CE1 4.26Å; F182-Y206 HydrophobicContact CB-CE2 3.73Å; F182-Y206 HydrophobicContact CD2-CE1 4.14Å; F182-Y206 PolarHBondContact N-OH 2.93Å
183	E	96.6	Very high	96.4	Very high	31 Å²	31	62.8 Å²	62.8	15%	0.145	30%	0.304	C	S	.	.			trans	-94.7	145.8	172.5	-64.3	164.1	-172.7	0	0	110.2	R158 N185 M186	R158-E183 WeakPolarHBondContact CG-OE1 3.46Å; R158-E183 IonicContact CZ-OE1 3.37Å; R158-E183 VanDerWaalsContact CZ-OE1 3.31Å; R158-E183 IonicContact CZ-OE2 2.74Å; R158-E183 IonicContact NE-OE1 2.81Å; R158-E183 PolarHBondContact NE-OE1 2.85Å; R158-E183 IonicContact NE-OE2 3.45Å; R158-E183 IonicContact NH2-OE1 2.72Å; R158-E183 PolarHBondContact NH2-OE1 2.9Å; R158-E183 IonicContact NH2-OE2 3.47Å; R158-E183 PolarHBondContact NH2-OE2 3.11Å; E183-N185 WeakPolarHBondContact CB-OD1 3.36Å; E183-N185 PolarHBondContact O-N 2.8Å; E183-N185 PolarHBondContact OE2-OD1 3.26Å; E183-M186 HydrophobicContact CB-CE 3.73Å; E183-M186 HydrophobicContact CB-CG 4.06Å; E183-M186 HydrophobicContact CB-SD 4.37Å; E183-M186 HydrophobicContact CG-CE 3.72Å; E183-M186 VanDerWaalsContact O-CB 3.24Å; E183-M186 WeakPolarHBondContact O-CB 3.47Å; E183-M186 WeakPolarHBondContact O-CG 3.16Å; E183-M186 PolarHBondContact O-N 2.66Å
184	T	93.4	Very high	96.3	Very high	107 Å²	107	55.8 Å²	55.8	66%	0.656	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-11.8	-174	49.3	0	0	0	0	115.8	F92 M186	F92-T184 HydrophobicContact CE1-CG2 4.08Å; T184-M186 VanDerWaalsContact C-N 3.35Å
185	N	93.8	Very high	96.2	Very high	128 Å²	128	52.3 Å²	52.3	68%	0.684	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-13.1	169.4	60.7	-9.5	0	0	0	112.4	E183	E183-N185 WeakPolarHBondContact CB-OD1 3.36Å; E183-N185 PolarHBondContact O-N 2.8Å; E183-N185 PolarHBondContact OE2-OD1 3.26Å
186	M	96.4	Very high	95.8	Very high	23 Å²	23	53.2 Å²	53.2	11%	0.113	27%	0.266	C	S	.	.	S	Bend	trans	-75.8	150.9	174.9	-58.2	-175.7	-170.9	0	0	110.6	L145 K156 R158 F182 E183 T184 G188	L145-M186 HydrophobicContact CD2-CE 3.36Å; K156-M186 HydrophobicContact CB-CG 4.33Å; K156-M186 HydrophobicContact CB-SD 3.53Å; K156-M186 VanDerWaalsContact CB-SD 3.53Å; R158-M186 HydrophobicContact CB-CE 4.21Å; F182-M186 HydrophobicContact CD2-CB 4.15Å; F182-M186 HydrophobicContact CD2-SD 4.19Å; F182-M186 HydrophobicContact CE1-CB 4.48Å; F182-M186 HydrophobicContact CE2-CB 3.59Å; F182-M186 HydrophobicContact CZ-CB 3.8Å; F182-M186 WeakPolarHBondContact CZ-O 3.43Å; E183-M186 HydrophobicContact CB-CE 3.73Å; E183-M186 HydrophobicContact CB-CG 4.06Å; E183-M186 HydrophobicContact CB-SD 4.37Å; E183-M186 HydrophobicContact CG-CE 3.72Å; E183-M186 VanDerWaalsContact O-CB 3.24Å; E183-M186 WeakPolarHBondContact O-CB 3.47Å; E183-M186 WeakPolarHBondContact O-CG 3.16Å; E183-M186 PolarHBondContact O-N 2.66Å; T184-M186 VanDerWaalsContact C-N 3.35Å; M186-G188 PolarHBondContact O-N 3.03Å
187	K	96.7	Very high	95.3	Very high	170 Å²	170	53.8 Å²	53.8	74%	0.739	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-75.6	122.4	172.8	-172.8	172	-177.5	172	0	110.1
188	G	97	Very high	94.6	Very high	7 Å²	7	55.9 Å²	55.9	7%	0.072	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-74.8	169.9	174.4	0	0	0	0	0	112.9	M186 V204	M186-G188 PolarHBondContact O-N 3.03Å; G188-V204 CarbonylContact C-O 3.47Å; G188-V204 WeakPolarHBondContact CA-O 3.23Å
189	R	97.1	Very high	94	Very high	7 Å²	7	61.5 Å²	61.5	3%	0.026	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	125.7	168	-73.2	176.8	-58.7	125.1	16.5	108.7	L153 I155 L194 Q203 V204 A205 P207 D208	L153-R189 HydrophobicContact CB-CG 4.16Å; L153-R189 HydrophobicContact CD1-CG 4.42Å; I155-R189 HydrophobicContact CB-CG 4.26Å; I155-R189 HydrophobicContact CD1-CG 4.16Å; R189-L194 HydrophobicContact CB-CD1 4.07Å; R189-L194 HydrophobicContact CB-CD2 4.28Å; R189-L194 HydrophobicContact CB-CG 4.4Å; R189-L194 VanDerWaalsContact NH1-CD2 3.32Å; R189-Q203 CarbonylContact O-C 3.56Å; R189-Q203 VanDerWaalsContact O-CA 3.26Å; R189-Q203 WeakPolarHBondContact O-CA 3.44Å; R189-V204 HydrophobicContact CB-CG2 4.45Å; R189-V204 PolarHBondContact N-O 2.93Å; R189-V204 PolarHBondContact O-N 2.95Å; R189-A205 PolarHBondContact NE-O 2.95Å; R189-A205 PolarHBondContact NH2-O 2.8Å; R189-P207 PolarHBondContact NH2-O 3.18Å; R189-D208 PolarHBondContact NH1-O 3.28Å
190	T	96.8	Very high	93.5	Very high	33 Å²	33	62.8 Å²	62.8	20%	0.202	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	142.1	-174.6	54.5	0	0	0	0	112.2	R192 K193 L194 Y202	T190-R192 VanDerWaalsContact C-N 3.28Å; T190-R192 PolarHBondContact O-N 3.18Å; T190-R192 VanDerWaalsContact O-N 3.17Å; T190-K193 PolarHBondContact O-N 3.06Å; T190-L194 PolarHBondContact O-N 3.34Å; T190-Y202 WeakPolarHBondContact CA-O 3.36Å
191	S	94.9	Very high	93.2	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.007	36%	0.356	C	S	.	.	H	α-helix	trans	-37.2	-52.5	170	51	0	0	0	0	114	K193 L194 V195 Q200 Y202	S191-K193 PolarHBondContact O-N 3.41Å; S191-L194 PolarHBondContact O-N 2.69Å; S191-V195 PolarHBondContact O-N 2.73Å; S191-Q200 WeakPolarHBondContact CB-O 3.3Å; S191-Q200 PolarHBondContact OG-O 2.75Å; S191-Y202 VanDerWaalsContact CB-CE1 3.48Å; S191-Y202 PolarHBondContact N-O 2.88Å; S191-Y202 PolarHBondContact OG-N 3.14Å; S191-Y202 PolarHBondContact OG-O 3.05Å
192	R	94.1	Very high	93	Very high	168 Å²	168	69.5 Å²	69.5	63%	0.634	36%	0.356	S	S	*	.	H	α-helix	trans	-53.6	-17.9	178.3	-72.1	-173.8	-74.2	-135.3	-6	116.1	T190	T190-R192 VanDerWaalsContact C-N 3.28Å; T190-R192 PolarHBondContact O-N 3.18Å; T190-R192 VanDerWaalsContact O-N 3.17Å
193	K	94.5	Very high	92.9	Very high	147 Å²	147	73.1 Å²	73.1	64%	0.639	37%	0.373	S	S	*	.	H	α-helix	trans	-105.5	-18.3	174.3	-66	-166.1	177.7	-166.2	0	113.4	L153 T190 S191	L153-K193 HydrophobicContact CD1-CB 3.82Å; L153-K193 HydrophobicContact CD2-CB 3.98Å; L153-K193 HydrophobicContact CD2-CD 4.05Å; T190-K193 PolarHBondContact O-N 3.06Å; S191-K193 PolarHBondContact O-N 3.41Å
194	L	92.8	Very high	92.9	Very high	33 Å²	33	71.7 Å²	71.7	17%	0.173	37%	0.366	C	S	.	.	H	α-helix	trans	-92.5	-40.9	-176.5	-65.8	164.9	0	0	0	111.5	L153 R189 T190 S191 V204 C209	L153-L194 HydrophobicContact CD1-CD2 3.57Å; L153-L194 HydrophobicContact CD1-CG 4.11Å; R189-L194 HydrophobicContact CB-CD1 4.07Å; R189-L194 HydrophobicContact CB-CD2 4.28Å; R189-L194 HydrophobicContact CB-CG 4.4Å; R189-L194 VanDerWaalsContact NH1-CD2 3.32Å; T190-L194 PolarHBondContact O-N 3.34Å; S191-L194 PolarHBondContact O-N 2.69Å; L194-V204 HydrophobicContact CD1-CG2 3.6Å; L194-C209 HydrophobicContact CB-CB 4.37Å; L194-C209 WeakPolarHBondContact CD1-O 3.35Å
195	V	91.3	Very high	93.2	Very high	8 Å²	8	66.6 Å²	66.6	5%	0.048	34%	0.335	C	S	.	.	S	Bend	trans	-138.4	66.7	-177.9	-71.5	0	0	0	0	108.9	S191 T197 L198 C209 I266 M267	S191-V195 PolarHBondContact O-N 2.73Å; V195-T197 PolarHBondContact O-N 2.91Å; V195-T197 VanDerWaalsContact O-N 3.08Å; V195-L198 HydrophobicContact CB-CB 4.45Å; V195-L198 HydrophobicContact CB-CD1 4.15Å; V195-L198 HydrophobicContact CB-CG 4.46Å; V195-L198 HydrophobicContact CG2-CB 4.39Å; V195-L198 HydrophobicContact CG2-CD1 4.45Å; V195-L198 PolarHBondContact O-N 3.06Å; V195-C209 HydrophobicContact CG1-CB 4.46Å; V195-I266 HydrophobicContact CG2-CG2 4.49Å; V195-M267 HydrophobicContact CG1-SD 3.68Å
196	P	87.7	Confident	93.4	Very high	101 Å²	101	60.5 Å²	60.5	66%	0.656	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.9	-169.7	27.3	-36.4	0	0	0	114.4	L198	P196-L198 VanDerWaalsContact C-N 3.31Å
197	T	85.4	Confident	93.5	Very high	99 Å²	99	59.6 Å²	59.6	61%	0.607	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-7.6	176.7	49.3	0	0	0	0	113.9	V195	V195-T197 PolarHBondContact O-N 2.91Å; V195-T197 VanDerWaalsContact O-N 3.08Å
198	L	85.3	Confident	93.5	Very high	45 Å²	45	53.9 Å²	53.9	24%	0.236	28%	0.276	C	S	.	.	S	Bend	trans	-117.3	123.1	-176.7	-57.8	177.4	0	0	0	110.5	V195 P196 Q200 I266 M267	V195-L198 HydrophobicContact CB-CB 4.45Å; V195-L198 HydrophobicContact CB-CD1 4.15Å; V195-L198 HydrophobicContact CB-CG 4.46Å; V195-L198 HydrophobicContact CG2-CB 4.39Å; V195-L198 HydrophobicContact CG2-CD1 4.45Å; V195-L198 PolarHBondContact O-N 3.06Å; P196-L198 VanDerWaalsContact C-N 3.31Å; L198-Q200 HydrophobicContact CB-CG 4.09Å; L198-Q200 PolarHBondContact O-N 2.87Å; L198-I266 HydrophobicContact CD1-CG2 3.61Å; L198-M267 HydrophobicContact CD1-CB 4.11Å; L198-M267 HydrophobicContact CD1-CG 4.49Å; L198-M267 HydrophobicContact CD1-SD 4.32Å
199	D	84.8	Confident	93.4	Very high	161 Å²	161	54.4 Å²	54.4	86%	0.861	28%	0.278	S	S	*	.			trans	-74.4	95.8	176.2	-172	23.8	0	0	0	110.5
200	Q	88.6	Confident	93.4	Very high	28 Å²	28	54.2 Å²	54.2	13%	0.131	28%	0.278	C	S	.	.			trans	-141.1	143.3	-174	-68.2	-67.3	-15.5	0	0	109	S191 L198 Y202 I266	S191-Q200 WeakPolarHBondContact CB-O 3.3Å; S191-Q200 PolarHBondContact OG-O 2.75Å; L198-Q200 HydrophobicContact CB-CG 4.09Å; L198-Q200 PolarHBondContact O-N 2.87Å; Q200-Y202 HydrophobicContact CB-CD1 3.97Å; Q200-Y202 HydrophobicContact CB-CE1 3.77Å; Q200-Y202 HydrophobicContact CG-CE1 4.34Å; Q200-I266 HydrophobicContact CG-CG1 4.47Å; Q200-I266 HydrophobicContact CG-CG2 4.31Å
201	N	91.8	Very high	93.4	Very high	139 Å²	139	52.7 Å²	52.7	74%	0.743	27%	0.268	S	S	*	.			trans	-125.7	72.8	-177.4	-173	37.1	0	0	0	112.4
202	Y	94.6	Very high	93.6	Very high	20 Å²	20	52.7 Å²	52.7	8%	0.078	27%	0.268	C	S	.	.			trans	-135.2	170.5	175.5	67.9	-98	0	0	0	111.4	T190 S191 Q200 V204 C209 C210 P211 I266	T190-Y202 WeakPolarHBondContact CA-O 3.36Å; S191-Y202 VanDerWaalsContact CB-CE1 3.48Å; S191-Y202 PolarHBondContact N-O 2.88Å; S191-Y202 PolarHBondContact OG-N 3.14Å; S191-Y202 PolarHBondContact OG-O 3.05Å; Q200-Y202 HydrophobicContact CB-CD1 3.97Å; Q200-Y202 HydrophobicContact CB-CE1 3.77Å; Q200-Y202 HydrophobicContact CG-CE1 4.34Å; Y202-V204 HydrophobicContact CD2-CG1 4.07Å; Y202-V204 HydrophobicContact CE2-CG1 4.07Å; Y202-C209 WeakPolarHBondContact CE2-O 3.43Å; Y202-C209 PolarHBondContact OH-O 2.88Å; Y202-C210 PolarHBondContact OH-SG 3.48Å; Y202-C210 VanDerWaalsContact OH-SG 3.35Å; Y202-P211 HydrophobicContact CD2-CG 3.86Å; Y202-P211 HydrophobicContact CE2-CG 4.41Å; Y202-P211 HydrophobicContact CG-CG 4.18Å; Y202-I266 HydrophobicContact CD1-CD1 4.11Å; Y202-I266 HydrophobicContact CE1-CD1 3.39Å; Y202-I266 HydrophobicContact CE1-CG1 4.2Å
203	Q	96.4	Very high	93.8	Very high	80 Å²	80	45.1 Å²	45.1	37%	0.374	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	150.6	172.3	57.9	176.8	-26.1	0	0	111.4	R189	R189-Q203 CarbonylContact O-C 3.56Å; R189-Q203 VanDerWaalsContact O-CA 3.26Å; R189-Q203 WeakPolarHBondContact O-CA 3.44Å
204	V	97.9	Very high	94	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	156.2	179.9	-64.3	0	0	0	0	111.1	M81 G188 R189 L194 Y202 P207 P211	M81-V204 VanDerWaalsContact CE-C 3.5Å; G188-V204 CarbonylContact C-O 3.47Å; G188-V204 WeakPolarHBondContact CA-O 3.23Å; R189-V204 HydrophobicContact CB-CG2 4.45Å; R189-V204 PolarHBondContact N-O 2.93Å; R189-V204 PolarHBondContact O-N 2.95Å; L194-V204 HydrophobicContact CD1-CG2 3.6Å; Y202-V204 HydrophobicContact CD2-CG1 4.07Å; Y202-V204 HydrophobicContact CE2-CG1 4.07Å; V204-P207 HydrophobicContact CB-CB 4.42Å; V204-P207 HydrophobicContact CB-CG 4.09Å; V204-P207 HydrophobicContact CG1-CG 4.45Å; V204-P211 HydrophobicContact CG1-CG 3.97Å
205	A	98.3	Very high	94.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-79.5	-105.9	171.6	0	0	0	0	0	109.7	M81 F92 I155 F182 R189	M81-A205 HydrophobicContact CE-CB 4.05Å; F92-A205 HydrophobicContact CD2-CB 3.97Å; F92-A205 HydrophobicContact CE2-CB 3.83Å; F92-A205 HydrophobicContact CG-CB 4.42Å; F92-A205 HydrophobicContact CZ-CB 4.17Å; I155-A205 WeakPolarHBondContact CD1-O 3.48Å; F182-A205 HydrophobicContact CB-CB 4.01Å; F182-A205 HydrophobicContact CD1-CB 3.76Å; F182-A205 HydrophobicContact CD2-CB 4.13Å; F182-A205 HydrophobicContact CE1-CB 4.23Å; F182-A205 HydrophobicContact CG-CB 3.69Å; R189-A205 PolarHBondContact NE-O 2.95Å; R189-A205 PolarHBondContact NH2-O 2.8Å
206	Y	98.8	Very high	94.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-104.8	14.2	179.9	-38.1	-47.2	0	0	0	117.4	K66 R91 F92 W93 L94 I150 I155 K156 G157 F182	K66-Y206 WeakPolarHBondContact CD-O 3.29Å; K66-Y206 PolarHBondContact NZ-O 3.3Å; R91-Y206 WeakPolarHBondContact O-CA 3.4Å; R91-Y206 WeakPolarHBondContact O-CB 3.03Å; R91-Y206 WeakPolarHBondContact O-CD2 3.18Å; R91-Y206 PolarHBondContact O-N 3.25Å; F92-Y206 WeakPolarHBondContact O-CE2 3.32Å; W93-Y206 VanDerWaalsContact C-CD2 3.45Å; L94-Y206 HydrophobicContact CB-CD1 4.42Å; L94-Y206 HydrophobicContact CB-CD2 3.46Å; L94-Y206 VanDerWaalsContact CB-CD2 3.46Å; L94-Y206 HydrophobicContact CB-CE2 3.61Å; L94-Y206 HydrophobicContact CB-CG 3.86Å; L94-Y206 HydrophobicContact CD2-CD1 4.19Å; L94-Y206 HydrophobicContact CD2-CE1 4.31Å; L94-Y206 HydrophobicContact CD2-CG 4.34Å; I150-Y206 HydrophobicContact CD1-CD1 3.35Å; I150-Y206 HydrophobicContact CD1-CE1 4.11Å; I150-Y206 HydrophobicContact CD1-CG 4.06Å; I155-Y206 HydrophobicContact CD1-CD1 3.95Å; I155-Y206 HydrophobicContact CD1-CE1 3.8Å; I155-Y206 HydrophobicContact CG1-CE1 4.09Å; I155-Y206 HydrophobicContact CG2-CD1 4.22Å; I155-Y206 HydrophobicContact CG2-CE1 3.87Å; K156-Y206 PolarHBondContact O-OH 2.87Å; G157-Y206 VanDerWaalsContact CA-OH 3.24Å; G157-Y206 WeakPolarHBondContact CA-OH 2.97Å; F182-Y206 HydrophobicContact CB-CD2 4.46Å; F182-Y206 HydrophobicContact CB-CE1 4.26Å; F182-Y206 HydrophobicContact CB-CE2 3.73Å; F182-Y206 HydrophobicContact CD2-CE1 4.14Å; F182-Y206 PolarHBondContact N-OH 2.93Å
207	P	98.2	Very high	95.2	Very high	4 Å²	4	33.9 Å²	33.9	3%	0.026	18%	0.181	C	C	.	.	S	Bend	trans	-54.2	176.3	160.5	-25.9	34.9	0	0	0	112.7	K66 R91 R189 V204	K66-P207 PolarHBondContact NZ-O 2.81Å; R91-P207 HydrophobicContact CB-CG 4Å; R189-P207 PolarHBondContact NH2-O 3.18Å; V204-P207 HydrophobicContact CB-CB 4.42Å; V204-P207 HydrophobicContact CB-CG 4.09Å; V204-P207 HydrophobicContact CG1-CG 4.45Å
208	D	96.8	Very high	95.8	Very high	51 Å²	51	30 Å²	30	27%	0.273	16%	0.159	S	C	.	.	S	Bend	trans	-73.5	-65.4	176	-79.4	4.8	0	0	0	110.9	K66 F151 R189	K66-D208 IonicContact NZ-OD1 3.19Å; K66-D208 PolarHBondContact NZ-OD1 3.35Å; F151-D208 HydrophobicContact CE2-CB 4.01Å; F151-D208 WeakPolarHBondContact CE2-OD1 3.43Å; F151-D208 HydrophobicContact CZ-CB 4.25Å; F151-D208 WeakPolarHBondContact CZ-OD1 3.12Å; R189-D208 PolarHBondContact NH1-O 3.28Å
209	C	94.6	Very high	96.5	Very high	18 Å²	18	27.9 Å²	27.9	12%	0.122	15%	0.148	C	C	.	.	S	Bend	trans	-133.8	-23	-179.5	55.9	0	0	0	0	116.4	L194 V195 Y202 Y316	L194-C209 HydrophobicContact CB-CB 4.37Å; L194-C209 WeakPolarHBondContact CD1-O 3.35Å; V195-C209 HydrophobicContact CG1-CB 4.46Å; Y202-C209 WeakPolarHBondContact CE2-O 3.43Å; Y202-C209 PolarHBondContact OH-O 2.88Å; C209-Y316 WeakPolarHBondContact SG-CE2 3.41Å
210	C	97.2	Very high	97.1	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.02	11%	0.112	C	C	.	.			trans	-133.7	156.1	-169.4	-57.8	0	0	0	0	113.5	Y202 I266 Y316	Y202-C210 PolarHBondContact OH-SG 3.48Å; Y202-C210 VanDerWaalsContact OH-SG 3.35Å; C210-I266 HydrophobicContact CB-CD1 3.88Å; C210-I266 VanDerWaalsContact SG-CD1 3.52Å; C210-Y316 HydrophobicContact CB-CD1 3.67Å; C210-Y316 HydrophobicContact CB-CE1 4.4Å; C210-Y316 HydrophobicContact CB-CG 3.82Å; C210-Y316 VanDerWaalsContact SG-CB 3.55Å
211	P	97.8	Very high	97.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-62.7	-34.8	178.4	-26.4	35.6	0	0	0	115.2	G82 Y202 V204 Y317 V319	G82-P211 WeakPolarHBondContact CA-O 3.44Å; Y202-P211 HydrophobicContact CD2-CG 3.86Å; Y202-P211 HydrophobicContact CE2-CG 4.41Å; Y202-P211 HydrophobicContact CG-CG 4.18Å; V204-P211 HydrophobicContact CG1-CG 3.97Å; P211-Y317 WeakPolarHBondContact CD-O 3.26Å; P211-V319 HydrophobicContact CB-CG2 4.12Å
212	L	98.7	Very high	97.9	Very high	1 Å²	1	19 Å²	19	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	143.6	-176.5	-64.3	175.2	0	0	0	111.2	L83 N239 I240 V263 Y316 Y317 V319	L83-L212 HydrophobicContact CD2-CD2 3.72Å; L83-L212 HydrophobicContact CG-CD2 3.72Å; L212-N239 HydrophobicContact CD2-CB 4.1Å; L212-I240 HydrophobicContact CD1-CD1 4.36Å; L212-V263 HydrophobicContact CD1-CG1 3.67Å; L212-Y316 WeakPolarHBondContact O-CA 3.37Å; L212-Y316 WeakPolarHBondContact O-CD1 3.45Å; L212-Y317 PolarHBondContact N-O 2.71Å; L212-Y317 PolarHBondContact O-N 2.81Å; L212-V319 HydrophobicContact CD1-CG2 3.97Å; L212-V319 HydrophobicContact CG-CG2 4.27Å
213	L	98.9	Very high	98.1	Very high	9 Å²	9	18.1 Å²	18.1	5%	0.047	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	125.5	162	173.5	59.9	0	0	0	108.9	F236 P238 N239 I240 C269 I315 Y316	L213-F236 WeakPolarHBondContact CD2-O 3.45Å; L213-P238 HydrophobicContact CD2-CB 4.45Å; L213-P238 HydrophobicContact CG-CB 4.13Å; L213-N239 PolarHBondContact N-OD1 2.72Å; L213-N239 PolarHBondContact O-N 2.89Å; L213-I240 PolarHBondContact O-N 2.81Å; L213-C269 HydrophobicContact CD1-CB 3.67Å; L213-I315 WeakPolarHBondContact CD1-O 3.47Å; L213-Y316 HydrophobicContact CB-CD1 4.02Å; L213-Y316 HydrophobicContact CB-CE1 4.02Å; L213-Y316 HydrophobicContact CD1-CD1 4.1Å; L213-Y316 HydrophobicContact CD1-CE1 4.21Å; L213-Y316 HydrophobicContact CG-CE1 4.48Å
214	I	98.9	Very high	98.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	141.4	176.8	-50.6	-172.1	0	0	0	108.9	I240 V242 L256 I258 V263 G314 I315 Y317	I214-I240 WeakPolarHBondContact CA-O 3.32Å; I214-I240 HydrophobicContact CD1-CD1 3.99Å; I214-I240 HydrophobicContact CG1-CB 4.12Å; I214-I240 HydrophobicContact CG1-CD1 4.18Å; I214-I240 HydrophobicContact CG1-CG1 4.46Å; I214-I240 HydrophobicContact CG2-CB 4.28Å; I214-I240 HydrophobicContact CG2-CG2 4.44Å; I214-V242 HydrophobicContact CG2-CG2 3.84Å; I214-L256 HydrophobicContact CD1-CD1 4.11Å; I214-I258 HydrophobicContact CD1-CD1 4.33Å; I214-V263 HydrophobicContact CD1-CG2 4.26Å; I214-G314 WeakPolarHBondContact O-CA 3.15Å; I214-I315 PolarHBondContact N-O 3Å; I214-I315 PolarHBondContact O-N 2.67Å; I214-Y317 HydrophobicContact CB-CD2 3.99Å; I214-Y317 HydrophobicContact CB-CE2 3.79Å; I214-Y317 HydrophobicContact CD1-CD2 3.55Å; I214-Y317 HydrophobicContact CD1-CE2 3.7Å; I214-Y317 HydrophobicContact CD1-CG 4.01Å; I214-Y317 HydrophobicContact CG1-CD2 3.57Å; I214-Y317 HydrophobicContact CG1-CE2 3.83Å; I214-Y317 HydrophobicContact CG1-CG 4.39Å
215	M	98.8	Very high	98.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	155.3	179.5	-73.1	177.1	71.2	0	0	110.6	M233 F236 P238 I240 V241 V242 R271 F313	M215-M233 HydrophobicContact CB-CE 4.5Å; M215-M233 HydrophobicContact CB-SD 4.11Å; M215-M233 HydrophobicContact CE-SD 3.64Å; M215-M233 HydrophobicContact SD-SD 3.92Å; M215-F236 HydrophobicContact CE-CB 3.44Å; M215-F236 VanDerWaalsContact CE-CB 3.44Å; M215-F236 HydrophobicContact CE-CD1 4.49Å; M215-F236 HydrophobicContact CE-CD2 4.03Å; M215-F236 HydrophobicContact CE-CG 3.72Å; M215-F236 HydrophobicContact SD-CB 3.46Å; M215-F236 WeakPolarHBondContact SD-CB 3.42Å; M215-F236 HydrophobicContact SD-CG 4.39Å; M215-P238 HydrophobicContact CB-CB 4Å; M215-P238 HydrophobicContact CB-CG 4.24Å; M215-P238 HydrophobicContact CG-CB 3.85Å; M215-P238 HydrophobicContact CG-CG 4.31Å; M215-P238 HydrophobicContact SD-CB 3.71Å; M215-P238 HydrophobicContact SD-CG 3.74Å; M215-I240 PolarHBondContact N-O 3.34Å; M215-I240 VanDerWaalsContact N-O 3.11Å; M215-V241 CarbonylContact O-C 3.58Å; M215-V241 VanDerWaalsContact O-CA 3.3Å; M215-V241 WeakPolarHBondContact O-CA 3.42Å; M215-V242 PolarHBondContact O-N 2.73Å; M215-R271 PolarHBondContact SD-NH2 2.94Å; M215-F313 HydrophobicContact CE-CD1 3.41Å; M215-F313 VanDerWaalsContact CE-CD1 3.41Å; M215-F313 HydrophobicContact CE-CE1 3.26Å; M215-F313 HydrophobicContact CE-CG 4.33Å; M215-F313 HydrophobicContact CE-CZ 4.08Å
216	T	98.9	Very high	98.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	151.8	169	62	0	0	0	0	111.9	A218 S219 M233 V242 C245 E250 W253	T216-A218 VanDerWaalsContact C-N 3.34Å; T216-S219 VanDerWaalsContact OG1-CB 3.22Å; T216-S219 WeakPolarHBondContact OG1-CB 3.36Å; T216-S219 PolarHBondContact OG1-N 3.18Å; T216-S219 PolarHBondContact OG1-OG 3.25Å; T216-M233 WeakPolarHBondContact O-CE 3.37Å; T216-V242 CarbonylContact C-O 3.6Å; T216-V242 VanDerWaalsContact CA-O 3.3Å; T216-V242 WeakPolarHBondContact CA-O 3.33Å; T216-V242 HydrophobicContact CG2-CB 4.34Å; T216-C245 WeakPolarHBondContact CG2-SG 3.22Å; T216-E250 WeakPolarHBondContact CB-OE2 3.39Å; T216-E250 HydrophobicContact CG2-CB 4.08Å; T216-E250 HydrophobicContact CG2-CG 4.42Å; T216-E250 WeakPolarHBondContact CG2-OE2 3.13Å; T216-E250 PolarHBondContact N-OE1 2.86Å; T216-E250 VanDerWaalsContact OG1-CD 3.31Å; T216-E250 PolarHBondContact OG1-OE1 2.99Å; T216-E250 PolarHBondContact OG1-OE2 2.75Å; T216-W253 HydrophobicContact CG2-CH2 3.53Å; T216-W253 HydrophobicContact CG2-CZ2 4.38Å; T216-W253 HydrophobicContact CG2-CZ3 4.01Å
217	D	98.3	Very high	98.2	Very high	53 Å²	53	26.9 Å²	26.9	28%	0.283	15%	0.146	S	C	.	.	H	α-helix	trans	-68.1	-34.9	167.1	60.4	-5	0	0	0	111.8	S219 L220 V221 V241 V242 T243	D217-S219 PolarHBondContact O-N 3.47Å; D217-L220 CarbonylContact O-C 3.58Å; D217-L220 WeakPolarHBondContact O-CA 3.36Å; D217-L220 WeakPolarHBondContact O-CB 3.5Å; D217-L220 PolarHBondContact O-N 2.61Å; D217-V221 WeakPolarHBondContact O-CG2 3.46Å; D217-V221 PolarHBondContact O-N 2.99Å; D217-V241 HydrophobicContact CB-CG1 4.37Å; D217-V242 PolarHBondContact N-O 3.29Å; D217-T243 WeakPolarHBondContact OD1-CA 3.12Å; D217-T243 PolarHBondContact OD1-OG1 2.85Å; D217-T243 WeakPolarHBondContact OD2-CB 3.3Å; D217-T243 PolarHBondContact OD2-OG1 3.27Å
218	A	98.8	Very high	98	Very high	18 Å²	18	35.6 Å²	35.6	15%	0.149	19%	0.186	C	C	.	.	H	α-helix	trans	-55.4	-44.9	173.3	0	0	0	0	0	112.8	T216 L220 V221 D222 C245 A247	T216-A218 VanDerWaalsContact C-N 3.34Å; A218-L220 VanDerWaalsContact C-N 3.3Å; A218-L220 PolarHBondContact O-N 3.5Å; A218-V221 PolarHBondContact O-N 2.95Å; A218-D222 PolarHBondContact O-N 2.98Å; A218-C245 VanDerWaalsContact CB-O 3.3Å; A218-C245 WeakPolarHBondContact CB-O 3.3Å; A218-A247 HydrophobicContact CB-CB 4.32Å
219	S	98.8	Very high	98	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-57.7	-39.4	171.5	-76.6	0	0	0	0	113	T216 D217 L223 F248 E250 F313	T216-S219 VanDerWaalsContact OG1-CB 3.22Å; T216-S219 WeakPolarHBondContact OG1-CB 3.36Å; T216-S219 PolarHBondContact OG1-N 3.18Å; T216-S219 PolarHBondContact OG1-OG 3.25Å; D217-S219 PolarHBondContact O-N 3.47Å; S219-L223 PolarHBondContact O-N 3.34Å; S219-F248 WeakPolarHBondContact OG-CA 3.35Å; S219-F248 WeakPolarHBondContact OG-CD1 3.38Å; S219-F248 PolarHBondContact OG-N 3.08Å; S219-E250 VanDerWaalsContact OG-CD 3.27Å; S219-E250 PolarHBondContact OG-OE1 3.48Å; S219-E250 PolarHBondContact OG-OE2 3.19Å; S219-F313 VanDerWaalsContact O-CE2 3.3Å; S219-F313 WeakPolarHBondContact O-CE2 3.3Å; S219-F313 WeakPolarHBondContact O-CZ 3.46Å
220	L	98.8	Very high	98.1	Very high	21 Å²	21	43.3 Å²	43.3	11%	0.11	22%	0.215	C	C	.	.	H	α-helix	trans	-71.8	-36.5	175.9	-178.6	64.3	0	0	0	112.4	D217 A218 N224 M231 M233 F236	D217-L220 CarbonylContact O-C 3.58Å; D217-L220 WeakPolarHBondContact O-CA 3.36Å; D217-L220 WeakPolarHBondContact O-CB 3.5Å; D217-L220 PolarHBondContact O-N 2.61Å; A218-L220 VanDerWaalsContact C-N 3.3Å; A218-L220 PolarHBondContact O-N 3.5Å; L220-N224 VanDerWaalsContact O-CB 3.23Å; L220-N224 WeakPolarHBondContact O-CB 3.39Å; L220-N224 VanDerWaalsContact O-CG 3.31Å; L220-N224 PolarHBondContact O-N 2.91Å; L220-N224 PolarHBondContact O-ND2 3.02Å; L220-M231 HydrophobicContact CD1-CB 4.08Å; L220-M233 HydrophobicContact CB-CE 3.71Å; L220-M233 HydrophobicContact CD2-CB 3.91Å; L220-M233 HydrophobicContact CD2-CE 3.73Å; L220-M233 HydrophobicContact CD2-SD 4.32Å; L220-M233 HydrophobicContact CG-CE 4.33Å; L220-F236 HydrophobicContact CD1-CD2 4.18Å; L220-F236 HydrophobicContact CD1-CE2 3.69Å
221	V	98.8	Very high	98.1	Very high	93 Å²	93	43.9 Å²	43.9	56%	0.564	22%	0.218	S	C	*	.	H	α-helix	trans	-63.1	-47.6	174.5	171.2	0	0	0	0	110.2	D217 A218 L223 N224 T225	D217-V221 WeakPolarHBondContact O-CG2 3.46Å; D217-V221 PolarHBondContact O-N 2.99Å; A218-V221 PolarHBondContact O-N 2.95Å; V221-L223 PolarHBondContact O-N 3.13Å; V221-N224 CarbonylContact O-C 3.51Å; V221-N224 WeakPolarHBondContact O-CA 3.16Å; V221-N224 WeakPolarHBondContact O-CB 3.4Å; V221-N224 PolarHBondContact O-N 3.06Å; V221-N224 VanDerWaalsContact O-N 3.08Å; V221-T225 WeakPolarHBondContact O-CG2 3.35Å; V221-T225 PolarHBondContact O-N 2.91Å
222	D	98.8	Very high	98.1	Very high	29 Å²	29	48.6 Å²	48.6	16%	0.155	24%	0.238	C	C	.	.	H	α-helix	trans	-54.6	-53.7	175.3	172.4	91.2	0	0	0	111.7	A218 N224 T225 R226 A247 F248 Y296	A218-D222 PolarHBondContact O-N 2.98Å; D222-N224 PolarHBondContact O-N 3.38Å; D222-T225 WeakPolarHBondContact O-CB 3.37Å; D222-T225 PolarHBondContact O-N 2.9Å; D222-T225 PolarHBondContact O-OG1 2.8Å; D222-R226 IonicContact OD1-CZ 3.94Å; D222-R226 IonicContact OD1-NE 3.06Å; D222-R226 PolarHBondContact OD1-NE 3.27Å; D222-R226 IonicContact OD1-NH2 3.93Å; D222-R226 PolarHBondContact OD1-NH2 2.68Å; D222-R226 IonicContact OD2-CZ 2.73Å; D222-R226 IonicContact OD2-NE 3.31Å; D222-R226 PolarHBondContact OD2-NE 2.94Å; D222-R226 IonicContact OD2-NH2 3.03Å; D222-R226 PolarHBondContact OD2-NH2 2.76Å; D222-A247 HydrophobicContact CB-CB 3.86Å; D222-F248 HydrophobicContact CB-CE2 3.97Å; D222-F248 HydrophobicContact CB-CZ 4.08Å; D222-F248 VanDerWaalsContact CG-CE2 3.49Å; D222-F248 WeakPolarHBondContact OD2-CE2 3.41Å; D222-F248 WeakPolarHBondContact OD2-CZ 3.46Å; D222-Y296 WeakPolarHBondContact OD2-CE2 3.36Å; D222-Y296 PolarHBondContact OD2-OH 3.22Å
223	L	98.8	Very high	98.1	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-56	-41.3	176.7	175.8	60.7	0	0	0	111.3	S219 V221 T225 R226 I227 M231 F236 P289 T292 L293 Y296 F313	S219-L223 PolarHBondContact O-N 3.34Å; V221-L223 PolarHBondContact O-N 3.13Å; L223-T225 PolarHBondContact O-N 2.93Å; L223-R226 PolarHBondContact O-N 2.69Å; L223-I227 WeakPolarHBondContact O-CG2 3.42Å; L223-I227 PolarHBondContact O-N 3.46Å; L223-M231 HydrophobicContact CD2-CG 4.45Å; L223-F236 HydrophobicContact CD2-CE1 4.28Å; L223-F236 HydrophobicContact CD2-CE2 4.03Å; L223-F236 HydrophobicContact CD2-CZ 3.44Å; L223-F236 VanDerWaalsContact CD2-CZ 3.44Å; L223-P289 HydrophobicContact CD2-CB 4.17Å; L223-T292 HydrophobicContact CD1-CG2 3.75Å; L223-L293 HydrophobicContact CD1-CD2 3.89Å; L223-L293 HydrophobicContact CD1-CG 3.9Å; L223-L293 HydrophobicContact CD2-CD1 4.31Å; L223-L293 HydrophobicContact CD2-CD2 4.2Å; L223-L293 HydrophobicContact CD2-CG 4.25Å; L223-Y296 WeakPolarHBondContact CA-OH 3.33Å; L223-Y296 HydrophobicContact CD1-CE1 4.38Å; L223-F313 HydrophobicContact CB-CE2 4.36Å; L223-F313 HydrophobicContact CB-CZ 4.11Å; L223-F313 HydrophobicContact CD2-CE1 4.01Å; L223-F313 HydrophobicContact CD2-CZ 3.91Å
224	N	98.7	Very high	98.1	Very high	31 Å²	31	51.1 Å²	51.1	17%	0.166	25%	0.25	C	C	.	.	H	α-helix	trans	-68.3	-15.3	177.5	-81.3	-26.5	0	0	0	114.3	L220 V221 D222 R226 K230 M231	L220-N224 VanDerWaalsContact O-CB 3.23Å; L220-N224 WeakPolarHBondContact O-CB 3.39Å; L220-N224 VanDerWaalsContact O-CG 3.31Å; L220-N224 PolarHBondContact O-N 2.91Å; L220-N224 PolarHBondContact O-ND2 3.02Å; V221-N224 CarbonylContact O-C 3.51Å; V221-N224 WeakPolarHBondContact O-CA 3.16Å; V221-N224 WeakPolarHBondContact O-CB 3.4Å; V221-N224 PolarHBondContact O-N 3.06Å; V221-N224 VanDerWaalsContact O-N 3.08Å; D222-N224 PolarHBondContact O-N 3.38Å; N224-R226 VanDerWaalsContact C-N 3.33Å; N224-K230 HydrophobicContact CB-CD 4.16Å; N224-K230 WeakPolarHBondContact O-CD 3.22Å; N224-K230 WeakPolarHBondContact O-CE 3.43Å; N224-K230 PolarHBondContact O-NZ 2.89Å; N224-K230 WeakPolarHBondContact OD1-CA 3.41Å; N224-M231 PolarHBondContact ND2-O 2.94Å; N224-M231 PolarHBondContact OD1-N 2.84Å
225	T	98.6	Very high	98.1	Very high	102 Å²	102	51.6 Å²	51.6	63%	0.626	25%	0.252	S	S	*	.	H	α-helix	trans	-75	-24.4	167.5	70.9	0	0	0	0	112.8	V221 D222 L223	V221-T225 WeakPolarHBondContact O-CG2 3.35Å; V221-T225 PolarHBondContact O-N 2.91Å; D222-T225 WeakPolarHBondContact O-CB 3.37Å; D222-T225 PolarHBondContact O-N 2.9Å; D222-T225 PolarHBondContact O-OG1 2.8Å; L223-T225 PolarHBondContact O-N 2.93Å
226	R	98.4	Very high	98.1	Very high	119 Å²	119	51.8 Å²	51.8	45%	0.449	25%	0.253	S	S	.	.	H	α-helix	trans	-98.8	-5.6	-169.5	-57.2	170.9	-168.1	-101.6	-2.6	114.7	D222 L223 N224 T292 Y296	D222-R226 IonicContact OD1-CZ 3.94Å; D222-R226 IonicContact OD1-NE 3.06Å; D222-R226 PolarHBondContact OD1-NE 3.27Å; D222-R226 IonicContact OD1-NH2 3.93Å; D222-R226 PolarHBondContact OD1-NH2 2.68Å; D222-R226 IonicContact OD2-CZ 2.73Å; D222-R226 IonicContact OD2-NE 3.31Å; D222-R226 PolarHBondContact OD2-NE 2.94Å; D222-R226 IonicContact OD2-NH2 3.03Å; D222-R226 PolarHBondContact OD2-NH2 2.76Å; L223-R226 PolarHBondContact O-N 2.69Å; N224-R226 VanDerWaalsContact C-N 3.33Å; R226-T292 HydrophobicContact CB-CG2 3.73Å; R226-Y296 VanDerWaalsContact CD-CE1 3.49Å; R226-Y296 WeakPolarHBondContact CD-OH 3.4Å; R226-Y296 VanDerWaalsContact NE-CE2 3.27Å
227	I	96.9	Very high	98	Very high	12 Å²	12	53 Å²	53	6%	0.062	26%	0.258	C	S	.	.			trans	-127.4	145.1	-173.4	-170.1	173.9	0	0	0	111.6	L223 K229 K230 M231 E288 P289	L223-I227 WeakPolarHBondContact O-CG2 3.42Å; L223-I227 PolarHBondContact O-N 3.46Å; I227-K229 VanDerWaalsContact CD1-O 3.3Å; I227-K229 WeakPolarHBondContact CD1-O 3.4Å; I227-K229 WeakPolarHBondContact CG1-O 3.49Å; I227-K230 HydrophobicContact CG2-CD 4.49Å; I227-K230 PolarHBondContact O-NZ 3.35Å; I227-M231 HydrophobicContact CD1-CE 3.96Å; I227-M231 HydrophobicContact CD1-CG 4.2Å; I227-E288 HydrophobicContact CD1-CB 3.75Å; I227-E288 HydrophobicContact CD1-CG 4.07Å; I227-E288 HydrophobicContact CG1-CG 4.47Å; I227-P289 HydrophobicContact CD1-CB 4.09Å
228	E	94.8	Very high	98.1	Very high	188 Å²	188	50.4 Å²	50.4	88%	0.879	24%	0.244	S	C	*	.	S	Bend	trans	-68.8	-65.2	175.2	-62.9	-178.4	170.5	0	0	111.6	K230	E228-K230 PolarHBondContact O-N 2.87Å
229	K	95.3	Very high	98.1	Very high	111 Å²	111	49.6 Å²	49.6	48%	0.483	24%	0.237	S	C	.	.	S	Bend	trans	-73.2	106.8	175	-175.1	-179.3	178.4	-176	0	109.6	I227 M231 D278	I227-K229 VanDerWaalsContact CD1-O 3.3Å; I227-K229 WeakPolarHBondContact CD1-O 3.4Å; I227-K229 WeakPolarHBondContact CG1-O 3.49Å; K229-M231 HydrophobicContact CB-CE 4.49Å; K229-M231 HydrophobicContact CD-CE 4.44Å; K229-M231 HydrophobicContact CG-CE 4.2Å; K229-M231 WeakPolarHBondContact O-CE 3.46Å; K229-M231 PolarHBondContact O-N 3.38Å; K229-D278 IonicContact NZ-OD2 3.67Å; K229-D278 PolarHBondContact NZ-OD2 2.89Å
230	K	97.3	Very high	98.1	Very high	119 Å²	119	49.7 Å²	49.7	52%	0.517	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-63.9	133.4	-178.3	-50.4	-50.8	178.2	-172.5	0	111.5	N224 I227 E228	N224-K230 HydrophobicContact CB-CD 4.16Å; N224-K230 WeakPolarHBondContact O-CD 3.22Å; N224-K230 WeakPolarHBondContact O-CE 3.43Å; N224-K230 PolarHBondContact O-NZ 2.89Å; N224-K230 WeakPolarHBondContact OD1-CA 3.41Å; I227-K230 HydrophobicContact CG2-CD 4.49Å; I227-K230 PolarHBondContact O-NZ 3.35Å; E228-K230 PolarHBondContact O-N 2.87Å
231	M	98	Very high	98.1	Very high	15 Å²	15	48.9 Å²	48.9	7%	0.074	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-84	151.3	176.2	-66.1	-63.2	105.8	0	0	111.6	L220 L223 N224 I227 K229 F236 P289	L220-M231 HydrophobicContact CD1-CB 4.08Å; L223-M231 HydrophobicContact CD2-CG 4.45Å; N224-M231 PolarHBondContact ND2-O 2.94Å; N224-M231 PolarHBondContact OD1-N 2.84Å; I227-M231 HydrophobicContact CD1-CE 3.96Å; I227-M231 HydrophobicContact CD1-CG 4.2Å; K229-M231 HydrophobicContact CB-CE 4.49Å; K229-M231 HydrophobicContact CD-CE 4.44Å; K229-M231 HydrophobicContact CG-CE 4.2Å; K229-M231 WeakPolarHBondContact O-CE 3.46Å; K229-M231 PolarHBondContact O-N 3.38Å; M231-F236 HydrophobicContact CB-CE2 3.89Å; M231-F236 HydrophobicContact CB-CZ 4.24Å; M231-F236 HydrophobicContact CG-CE2 4.43Å; M231-F236 HydrophobicContact CG-CZ 4.28Å; M231-P289 HydrophobicContact CG-CB 3.67Å; M231-P289 HydrophobicContact CG-CG 3.85Å; M231-P289 HydrophobicContact SD-CB 3.91Å; M231-P289 HydrophobicContact SD-CG 3.67Å
232	K	97.9	Very high	98.1	Very high	99 Å²	99	44.5 Å²	44.5	43%	0.43	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-101.8	162.2	172.3	-54.6	-173.5	176.4	-178.5	0	109.8	E234 N235 F236 P279 D280	K232-E234 HydrophobicContact CB-CB 4.44Å; K232-E234 VanDerWaalsContact CB-OE2 3.29Å; K232-E234 WeakPolarHBondContact CB-OE2 3.32Å; K232-E234 PolarHBondContact O-N 3.05Å; K232-N235 PolarHBondContact N-OD1 2.98Å; K232-N235 WeakPolarHBondContact O-CB 3.44Å; K232-N235 PolarHBondContact O-N 2.78Å; K232-N235 PolarHBondContact O-OD1 3.06Å; K232-F236 WeakPolarHBondContact O-CD2 3.47Å; K232-P279 HydrophobicContact CD-CG 4.35Å; K232-D280 IonicContact NZ-OD2 3.93Å; K232-D280 PolarHBondContact NZ-OD2 3.01Å
233	M	98.3	Very high	98.1	Very high	9 Å²	9	45.4 Å²	45.4	4%	0.044	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-66.4	-28.8	178.6	-168.7	57.6	78	0	0	111.4	M215 T216 L220 N235 F236 R237 P238 V241	M215-M233 HydrophobicContact CB-CE 4.5Å; M215-M233 HydrophobicContact CB-SD 4.11Å; M215-M233 HydrophobicContact CE-SD 3.64Å; M215-M233 HydrophobicContact SD-SD 3.92Å; T216-M233 WeakPolarHBondContact O-CE 3.37Å; L220-M233 HydrophobicContact CB-CE 3.71Å; L220-M233 HydrophobicContact CD2-CB 3.91Å; L220-M233 HydrophobicContact CD2-CE 3.73Å; L220-M233 HydrophobicContact CD2-SD 4.32Å; L220-M233 HydrophobicContact CG-CE 4.33Å; M233-N235 PolarHBondContact O-N 3.23Å; M233-F236 PolarHBondContact O-N 3.29Å; M233-R237 PolarHBondContact O-N 2.95Å; M233-R237 VanDerWaalsContact O-N 3.13Å; M233-P238 HydrophobicContact CG-CG 3.59Å; M233-P238 WeakPolarHBondContact O-CD 3.36Å; M233-P238 HydrophobicContact SD-CG 3.73Å; M233-V241 HydrophobicContact CE-CG1 3.9Å; M233-V241 HydrophobicContact CE-CG2 4.4Å; M233-V241 HydrophobicContact CG-CG2 3.67Å; M233-V241 HydrophobicContact SD-CG2 4.34Å
234	E	98.1	Very high	98.1	Very high	55 Å²	55	48.4 Å²	48.4	26%	0.257	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-60	-27.4	177	-66.4	79.4	175.3	0	0	112.7	W61 K232 F236 R237 P279	W61-E234 HydrophobicContact CH2-CG 4.07Å; W61-E234 WeakPolarHBondContact CH2-OE1 3.36Å; W61-E234 HydrophobicContact CZ2-CG 4.12Å; W61-E234 WeakPolarHBondContact CZ2-OE1 3.33Å; K232-E234 HydrophobicContact CB-CB 4.44Å; K232-E234 VanDerWaalsContact CB-OE2 3.29Å; K232-E234 WeakPolarHBondContact CB-OE2 3.32Å; K232-E234 PolarHBondContact O-N 3.05Å; E234-F236 VanDerWaalsContact C-N 3.28Å; E234-F236 PolarHBondContact O-N 2.91Å; E234-R237 WeakPolarHBondContact O-CG 3.21Å; E234-P279 HydrophobicContact CB-CB 4.17Å; E234-P279 HydrophobicContact CB-CG 4.2Å
235	N	98.4	Very high	98.1	Very high	10 Å²	10	47.9 Å²	47.9	5%	0.053	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-61.3	-36.1	170.5	-69.6	81.5	0	0	0	111.9	K232 M233 T275 V277	K232-N235 PolarHBondContact N-OD1 2.98Å; K232-N235 WeakPolarHBondContact O-CB 3.44Å; K232-N235 PolarHBondContact O-N 2.78Å; K232-N235 PolarHBondContact O-OD1 3.06Å; M233-N235 PolarHBondContact O-N 3.23Å; N235-T275 PolarHBondContact ND2-O 3.15Å; N235-T275 WeakPolarHBondContact O-CA 3.23Å; N235-V277 PolarHBondContact ND2-O 2.84Å
236	F	98.6	Very high	98.1	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.018	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-13.5	-173.3	-55.8	-73.5	0	0	0	113.8	L213 M215 L220 L223 M231 K232 M233 E234 P238 R271 T275 P289 L293 F313	L213-F236 WeakPolarHBondContact CD2-O 3.45Å; M215-F236 HydrophobicContact CE-CB 3.44Å; M215-F236 VanDerWaalsContact CE-CB 3.44Å; M215-F236 HydrophobicContact CE-CD1 4.49Å; M215-F236 HydrophobicContact CE-CD2 4.03Å; M215-F236 HydrophobicContact CE-CG 3.72Å; M215-F236 HydrophobicContact SD-CB 3.46Å; M215-F236 WeakPolarHBondContact SD-CB 3.42Å; M215-F236 HydrophobicContact SD-CG 4.39Å; L220-F236 HydrophobicContact CD1-CD2 4.18Å; L220-F236 HydrophobicContact CD1-CE2 3.69Å; L223-F236 HydrophobicContact CD2-CE1 4.28Å; L223-F236 HydrophobicContact CD2-CE2 4.03Å; L223-F236 HydrophobicContact CD2-CZ 3.44Å; L223-F236 VanDerWaalsContact CD2-CZ 3.44Å; M231-F236 HydrophobicContact CB-CE2 3.89Å; M231-F236 HydrophobicContact CB-CZ 4.24Å; M231-F236 HydrophobicContact CG-CE2 4.43Å; M231-F236 HydrophobicContact CG-CZ 4.28Å; K232-F236 WeakPolarHBondContact O-CD2 3.47Å; M233-F236 PolarHBondContact O-N 3.29Å; E234-F236 VanDerWaalsContact C-N 3.28Å; E234-F236 PolarHBondContact O-N 2.91Å; F236-P238 VanDerWaalsContact C-CD 3.45Å; F236-R271 PolarHBondContact O-NH1 2.9Å; F236-T275 HydrophobicContact CD1-CG2 3.63Å; F236-T275 HydrophobicContact CE1-CG2 3.89Å; F236-P289 HydrophobicContact CE1-CG 3.92Å; F236-P289 HydrophobicContact CZ-CB 4.39Å; F236-P289 HydrophobicContact CZ-CG 3.7Å; F236-L293 HydrophobicContact CE1-CD1 4.01Å; F236-F313 AromaticContact CD1-CD1 3.49Å; F236-F313 HydrophobicContact CD1-CD1 3.49Å; F236-F313 VanDerWaalsContact CD1-CD1 3.49Å; F236-F313 AromaticContact CD1-CE1 3.81Å; F236-F313 HydrophobicContact CD1-CE1 3.81Å; F236-F313 HydrophobicContact CD2-CD1 4.26Å; F236-F313 AromaticContact CD2-CE1 3.74Å; F236-F313 HydrophobicContact CD2-CE1 3.74Å; F236-F313 AromaticContact CE1-CD1 3.62Å; F236-F313 HydrophobicContact CE1-CD1 3.62Å; F236-F313 AromaticContact CE1-CE1 3.77Å; F236-F313 HydrophobicContact CE1-CE1 3.77Å; F236-F313 HydrophobicContact CE2-CD1 4.37Å; F236-F313 AromaticContact CE2-CE1 3.7Å; F236-F313 HydrophobicContact CE2-CE1 3.7Å; F236-F313 AromaticContact CG-CD1 3.83Å; F236-F313 HydrophobicContact CG-CD1 3.83Å; F236-F313 AromaticContact CG-CE1 3.79Å; F236-F313 HydrophobicContact CG-CE1 3.79Å; F236-F313 HydrophobicContact CZ-CD1 4.07Å; F236-F313 AromaticContact CZ-CE1 3.72Å; F236-F313 HydrophobicContact CZ-CE1 3.72Å
237	R	98.6	Very high	98.1	Very high	24 Å²	24	45.5 Å²	45.5	9%	0.091	24%	0.242	C	C	.	.			trans	56.5	40.1	169.5	-53.5	173.3	63.2	90.1	1	116.5	Y63 S67 C68 R91 M233 E234 L274	Y63-R237 VanDerWaalsContact CD1-CZ 3.49Å; Y63-R237 HydrophobicContact CE1-CB 4.08Å; Y63-R237 HydrophobicContact CE1-CG 4.12Å; Y63-R237 HydrophobicContact CE2-CB 4.26Å; Y63-R237 WeakPolarHBondContact OH-CA 3.27Å; S67-R237 PolarHBondContact O-NH1 2.72Å; C68-R237 VanDerWaalsContact O-CZ 3.24Å; C68-R237 PolarHBondContact O-NH1 3.23Å; C68-R237 PolarHBondContact O-NH2 2.76Å; R91-R237 PolarHBondContact NH2-O 2.83Å; M233-R237 PolarHBondContact O-N 2.95Å; M233-R237 VanDerWaalsContact O-N 3.13Å; E234-R237 WeakPolarHBondContact O-CG 3.21Å; R237-L274 HydrophobicContact CG-CD2 4.39Å
238	P	98.8	Very high	98.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.245	C	C	.	.			trans	-64.8	155.8	175.2	32.1	-35.9	0	0	0	111.4	W61 Y63 L213 M215 M233 F236 V241	W61-P238 WeakPolarHBondContact CB-O 3.39Å; Y63-P238 WeakPolarHBondContact CE2-O 3.44Å; Y63-P238 PolarHBondContact OH-O 2.95Å; L213-P238 HydrophobicContact CD2-CB 4.45Å; L213-P238 HydrophobicContact CG-CB 4.13Å; M215-P238 HydrophobicContact CB-CB 4Å; M215-P238 HydrophobicContact CB-CG 4.24Å; M215-P238 HydrophobicContact CG-CB 3.85Å; M215-P238 HydrophobicContact CG-CG 4.31Å; M215-P238 HydrophobicContact SD-CB 3.71Å; M215-P238 HydrophobicContact SD-CG 3.74Å; M233-P238 HydrophobicContact CG-CG 3.59Å; M233-P238 WeakPolarHBondContact O-CD 3.36Å; M233-P238 HydrophobicContact SD-CG 3.73Å; F236-P238 VanDerWaalsContact C-CD 3.45Å; P238-V241 HydrophobicContact CG-CG2 3.85Å
239	N	98.9	Very high	98.3	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	21%	0.214	C	C	.	.	S	Bend	trans	-85.3	-33.6	170.6	-66.8	102.7	0	0	0	111.9	L60 W61 L83 D90 R91 L212 L213	L60-N239 WeakPolarHBondContact CA-O 3.49Å; W61-N239 PolarHBondContact N-O 3.49Å; W61-N239 WeakPolarHBondContact O-CA 3.31Å; W61-N239 PolarHBondContact O-ND2 2.74Å; L83-N239 HydrophobicContact CD1-CB 3.9Å; L83-N239 HydrophobicContact CG-CB 4.27Å; D90-N239 PolarHBondContact OD1-ND2 3.29Å; D90-N239 VanDerWaalsContact OD1-ND2 3.13Å; D90-N239 PolarHBondContact OD2-ND2 2.93Å; R91-N239 PolarHBondContact NH1-ND2 2.62Å; R91-N239 PolarHBondContact NH1-OD1 3.37Å; L212-N239 HydrophobicContact CD2-CB 4.1Å; L213-N239 PolarHBondContact N-OD1 2.72Å; L213-N239 PolarHBondContact O-N 2.89Å
240	I	98.9	Very high	98.5	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	128.5	-179.1	-51.4	176.5	0	0	0	107.9	V57 L60 L83 L212 L213 I214 M215 V242 I258 L325	V57-I240 HydrophobicContact CG1-CG2 4.23Å; V57-I240 HydrophobicContact CG2-CG2 4.31Å; L60-I240 HydrophobicContact CD2-CB 4.24Å; L60-I240 HydrophobicContact CD2-CG1 3.84Å; L60-I240 HydrophobicContact CD2-CG2 4.05Å; L83-I240 HydrophobicContact CD1-CG1 4.45Å; L212-I240 HydrophobicContact CD1-CD1 4.36Å; L213-I240 PolarHBondContact O-N 2.81Å; I214-I240 WeakPolarHBondContact CA-O 3.32Å; I214-I240 HydrophobicContact CD1-CD1 3.99Å; I214-I240 HydrophobicContact CG1-CB 4.12Å; I214-I240 HydrophobicContact CG1-CD1 4.18Å; I214-I240 HydrophobicContact CG1-CG1 4.46Å; I214-I240 HydrophobicContact CG2-CB 4.28Å; I214-I240 HydrophobicContact CG2-CG2 4.44Å; M215-I240 PolarHBondContact N-O 3.34Å; M215-I240 VanDerWaalsContact N-O 3.11Å; I240-V242 HydrophobicContact CG2-CG2 4.26Å; I240-I258 HydrophobicContact CD1-CD1 4.33Å; I240-L325 HydrophobicContact CD1-CD1 3.68Å; I240-L325 HydrophobicContact CG1-CD1 4.23Å
241	V	98.9	Very high	98.5	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.024	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	130.5	169.1	-175.2	0	0	0	0	108.3	A58 K59 M215 D217 M233 P238	A58-V241 HydrophobicContact CB-CB 4.5Å; A58-V241 HydrophobicContact CB-CG1 4.28Å; A58-V241 PolarHBondContact N-O 2.96Å; K59-V241 HydrophobicContact CB-CB 3.98Å; K59-V241 HydrophobicContact CB-CG2 3.98Å; K59-V241 PolarHBondContact N-O 3.11Å; K59-V241 PolarHBondContact O-N 3.47Å; M215-V241 CarbonylContact O-C 3.58Å; M215-V241 VanDerWaalsContact O-CA 3.3Å; M215-V241 WeakPolarHBondContact O-CA 3.42Å; D217-V241 HydrophobicContact CB-CG1 4.37Å; M233-V241 HydrophobicContact CE-CG1 3.9Å; M233-V241 HydrophobicContact CE-CG2 4.4Å; M233-V241 HydrophobicContact CG-CG2 3.67Å; M233-V241 HydrophobicContact SD-CG2 4.34Å; P238-V241 HydrophobicContact CG-CG2 3.85Å
242	V	98.9	Very high	98.5	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	147.4	177	-175.2	0	0	0	0	109.5	T56 I214 M215 T216 D217 I240 W253 V331	T56-V242 CarbonylContact O-C 3.53Å; T56-V242 WeakPolarHBondContact O-CA 3.3Å; I214-V242 HydrophobicContact CG2-CG2 3.84Å; M215-V242 PolarHBondContact O-N 2.73Å; T216-V242 CarbonylContact C-O 3.6Å; T216-V242 VanDerWaalsContact CA-O 3.3Å; T216-V242 WeakPolarHBondContact CA-O 3.33Å; T216-V242 HydrophobicContact CG2-CB 4.34Å; D217-V242 PolarHBondContact N-O 3.29Å; I240-V242 HydrophobicContact CG2-CG2 4.26Å; V242-W253 HydrophobicContact CB-CH2 4.09Å; V242-W253 HydrophobicContact CB-CZ3 4.14Å; V242-W253 HydrophobicContact CG1-CH2 3.75Å; V242-W253 HydrophobicContact CG1-CZ3 4.14Å; V242-W253 HydrophobicContact CG2-CZ3 4.11Å; V242-V331 HydrophobicContact CG1-CB 4.26Å; V242-V331 HydrophobicContact CG1-CG2 3.9Å; V242-V331 HydrophobicContact CG2-CG2 3.94Å
243	T	98.8	Very high	98.5	Very high	48 Å²	48	28.2 Å²	28.2	29%	0.294	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	165.7	174.3	-168.6	0	0	0	0	110.9	G55 T56 A58 D217	G55-T243 CarbonylContact C-O 3.55Å; G55-T243 WeakPolarHBondContact CA-O 3.4Å; T56-T243 PolarHBondContact N-O 3.33Å; T56-T243 PolarHBondContact O-N 3.38Å; A58-T243 HydrophobicContact CB-CG2 3.86Å; D217-T243 WeakPolarHBondContact OD1-CA 3.12Å; D217-T243 PolarHBondContact OD1-OG1 2.85Å; D217-T243 WeakPolarHBondContact OD2-CB 3.3Å; D217-T243 PolarHBondContact OD2-OG1 3.27Å
244	G	98.4	Very high	98.4	Very high	64 Å²	64	31.6 Å²	31.6	66%	0.66	19%	0.189	S	C	*	.	S	Bend	trans	79.6	37.9	179.2	0	0	0	0	0	114.2
245	C	98.4	Very high	98.4	Very high	20 Å²	20	31.2 Å²	31.2	14%	0.135	19%	0.187	C	C	.	.	S	Bend	trans	-144.2	166.4	-179.8	35.4	0	0	0	0	110.1	V54 T216 A218 E249 W253	V54-C245 WeakPolarHBondContact O-CB 3.33Å; T216-C245 WeakPolarHBondContact CG2-SG 3.22Å; A218-C245 VanDerWaalsContact CB-O 3.3Å; A218-C245 WeakPolarHBondContact CB-O 3.3Å; C245-E249 HydrophobicContact CB-CB 4.22Å; C245-E249 VanDerWaalsContact CB-OE2 3.23Å; C245-E249 WeakPolarHBondContact CB-OE2 3.34Å; C245-W253 HydrophobicContact CB-CH2 4.26Å; C245-W253 HydrophobicContact CB-CZ2 3.9Å
246	D	98.6	Very high	98.4	Very high	129 Å²	129	30.8 Å²	30.8	69%	0.69	19%	0.185	S	C	*	.			trans	-75.9	160.1	175.5	-73.4	-32.6	0	0	0	112.1	F248 E249	D246-F248 PolarHBondContact O-N 3.36Å; D246-E249 HydrophobicContact CB-CB 4.46Å; D246-E249 PolarHBondContact N-OE2 2.87Å; D246-E249 WeakPolarHBondContact O-CB 3.42Å; D246-E249 PolarHBondContact O-N 3.47Å; D246-E249 VanDerWaalsContact O-N 3.13Å
247	A	98.5	Very high	98.4	Very high	42 Å²	42	32 Å²	32	35%	0.347	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	131.1	177.2	0	0	0	0	0	110.7	A218 D222 E249	A218-A247 HydrophobicContact CB-CB 4.32Å; D222-A247 HydrophobicContact CB-CB 3.86Å; A247-E249 PolarHBondContact O-N 3.4Å
248	F	98.6	Very high	98.4	Very high	29 Å²	29	31 Å²	31	13%	0.127	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	11.5	-175.8	-42.9	-74.5	0	0	0	115.9	S219 D222 D246 E250 D251 Y296 R297 F313	S219-F248 WeakPolarHBondContact OG-CA 3.35Å; S219-F248 WeakPolarHBondContact OG-CD1 3.38Å; S219-F248 PolarHBondContact OG-N 3.08Å; D222-F248 HydrophobicContact CB-CE2 3.97Å; D222-F248 HydrophobicContact CB-CZ 4.08Å; D222-F248 VanDerWaalsContact CG-CE2 3.49Å; D222-F248 WeakPolarHBondContact OD2-CE2 3.41Å; D222-F248 WeakPolarHBondContact OD2-CZ 3.46Å; D246-F248 PolarHBondContact O-N 3.36Å; F248-E250 VanDerWaalsContact CA-OE2 3.31Å; F248-E250 WeakPolarHBondContact CA-OE2 3.33Å; F248-E250 PolarHBondContact O-N 3.13Å; F248-E250 VanDerWaalsContact O-N 3.11Å; F248-D251 VanDerWaalsContact O-CB 3.29Å; F248-D251 WeakPolarHBondContact O-CB 3.35Å; F248-D251 PolarHBondContact O-N 3.08Å; F248-Y296 HydrophobicContact CE2-CE2 4.01Å; F248-Y296 AromaticContact CZ-CE2 3.63Å; F248-Y296 HydrophobicContact CZ-CE2 3.63Å; F248-R297 HydrophobicContact CE1-CG 4.32Å; F248-R297 HydrophobicContact CZ-CG 4.5Å; F248-F313 HydrophobicContact CD1-CD2 4.44Å; F248-F313 AromaticContact CE1-CD2 3.75Å; F248-F313 HydrophobicContact CE1-CD2 3.75Å; F248-F313 AromaticContact CE1-CE2 3.67Å; F248-F313 HydrophobicContact CE1-CE2 3.67Å; F248-F313 HydrophobicContact CZ-CE2 4.4Å
249	E	98.4	Very high	98.4	Very high	48 Å²	48	32.8 Å²	32.8	22%	0.224	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-58.5	-27.7	176.6	-158.5	-162.5	127.4	0	0	111.8	C245 D246 A247 D251 T252 W253	C245-E249 HydrophobicContact CB-CB 4.22Å; C245-E249 VanDerWaalsContact CB-OE2 3.23Å; C245-E249 WeakPolarHBondContact CB-OE2 3.34Å; D246-E249 HydrophobicContact CB-CB 4.46Å; D246-E249 PolarHBondContact N-OE2 2.87Å; D246-E249 WeakPolarHBondContact O-CB 3.42Å; D246-E249 PolarHBondContact O-N 3.47Å; D246-E249 VanDerWaalsContact O-N 3.13Å; A247-E249 PolarHBondContact O-N 3.4Å; E249-D251 PolarHBondContact O-N 3.29Å; E249-D251 VanDerWaalsContact O-N 3.12Å; E249-T252 WeakPolarHBondContact O-CB 3.23Å; E249-T252 PolarHBondContact O-N 2.65Å; E249-T252 PolarHBondContact O-OG1 3.29Å; E249-W253 HydrophobicContact CB-CZ2 4.15Å; E249-W253 HydrophobicContact CG-CZ2 4.33Å; E249-W253 PolarHBondContact O-NE1 2.73Å; E249-W253 PolarHBondContact OE1-NE1 3.19Å
250	E	98.4	Very high	98.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-57.2	-26.6	175.4	69	-100.1	-129.2	0	0	114	T216 S219 F248 T252 W253 I315	T216-E250 WeakPolarHBondContact CB-OE2 3.39Å; T216-E250 HydrophobicContact CG2-CB 4.08Å; T216-E250 HydrophobicContact CG2-CG 4.42Å; T216-E250 WeakPolarHBondContact CG2-OE2 3.13Å; T216-E250 PolarHBondContact N-OE1 2.86Å; T216-E250 VanDerWaalsContact OG1-CD 3.31Å; T216-E250 PolarHBondContact OG1-OE1 2.99Å; T216-E250 PolarHBondContact OG1-OE2 2.75Å; S219-E250 VanDerWaalsContact OG-CD 3.27Å; S219-E250 PolarHBondContact OG-OE1 3.48Å; S219-E250 PolarHBondContact OG-OE2 3.19Å; F248-E250 VanDerWaalsContact CA-OE2 3.31Å; F248-E250 WeakPolarHBondContact CA-OE2 3.33Å; F248-E250 PolarHBondContact O-N 3.13Å; F248-E250 VanDerWaalsContact O-N 3.11Å; E250-T252 PolarHBondContact O-N 2.75Å; E250-T252 VanDerWaalsContact O-N 3.12Å; E250-W253 HydrophobicContact CB-CD2 4.2Å; E250-W253 HydrophobicContact CB-CE3 3.65Å; E250-W253 HydrophobicContact CB-CH2 4.25Å; E250-W253 HydrophobicContact CB-CZ3 3.68Å; E250-W253 PolarHBondContact O-N 2.93Å; E250-I315 HydrophobicContact CB-CG1 4.33Å; E250-I315 HydrophobicContact CG-CG1 3.97Å; E250-I315 WeakPolarHBondContact O-CG1 3.21Å
251	D	98.4	Very high	98.4	Very high	43 Å²	43	35.2 Å²	35.2	23%	0.23	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-60.2	-23.9	175.9	-66.1	-17	0	0	0	111.7	F248 E249 K265 R297 I315	F248-D251 VanDerWaalsContact O-CB 3.29Å; F248-D251 WeakPolarHBondContact O-CB 3.35Å; F248-D251 PolarHBondContact O-N 3.08Å; E249-D251 PolarHBondContact O-N 3.29Å; E249-D251 VanDerWaalsContact O-N 3.12Å; D251-K265 PolarHBondContact O-NZ 3.12Å; D251-R297 IonicContact OD1-NH2 2.67Å; D251-R297 PolarHBondContact OD1-NH2 2.7Å; D251-R297 IonicContact OD2-CZ 2.72Å; D251-R297 IonicContact OD2-NH1 2.66Å; D251-R297 PolarHBondContact OD2-NH1 2.98Å; D251-R297 IonicContact OD2-NH2 2.78Å; D251-R297 PolarHBondContact OD2-NH2 2.78Å; D251-I315 WeakPolarHBondContact OD1-CD1 3.45Å
252	T	97.5	Very high	98.3	Very high	61 Å²	61	36.9 Å²	36.9	37%	0.374	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-93.8	-5.6	-177.7	76.8	0	0	0	0	114.4	E249 E250 D254 R333	E249-T252 WeakPolarHBondContact O-CB 3.23Å; E249-T252 PolarHBondContact O-N 2.65Å; E249-T252 PolarHBondContact O-OG1 3.29Å; E250-T252 PolarHBondContact O-N 2.75Å; E250-T252 VanDerWaalsContact O-N 3.12Å; T252-D254 PolarHBondContact O-N 2.84Å; T252-R333 PolarHBondContact O-NE 3.17Å; T252-R333 PolarHBondContact O-NH1 3Å; T252-R333 PolarHBondContact O-NH2 3.42Å
253	W	97.9	Very high	98.3	Very high	0 Å²	0	37 Å²	37	0%	0	23%	0.232	C	C	.	.			trans	-91.5	88.8	-170.4	-63.5	-10.8	0	0	0	112.2	V54 T216 V242 C245 E249 E250 L256 Y317	V54-W253 HydrophobicContact CB-CZ2 3.87Å; V54-W253 HydrophobicContact CG2-CD2 4Å; V54-W253 HydrophobicContact CG2-CG 4.43Å; V54-W253 HydrophobicContact CG2-CH2 4.46Å; V54-W253 HydrophobicContact CG2-CZ2 3.82Å; V54-W253 WeakPolarHBondContact O-CZ2 3.42Å; T216-W253 HydrophobicContact CG2-CH2 3.53Å; T216-W253 HydrophobicContact CG2-CZ2 4.38Å; T216-W253 HydrophobicContact CG2-CZ3 4.01Å; V242-W253 HydrophobicContact CB-CH2 4.09Å; V242-W253 HydrophobicContact CB-CZ3 4.14Å; V242-W253 HydrophobicContact CG1-CH2 3.75Å; V242-W253 HydrophobicContact CG1-CZ3 4.14Å; V242-W253 HydrophobicContact CG2-CZ3 4.11Å; C245-W253 HydrophobicContact CB-CH2 4.26Å; C245-W253 HydrophobicContact CB-CZ2 3.9Å; E249-W253 HydrophobicContact CB-CZ2 4.15Å; E249-W253 HydrophobicContact CG-CZ2 4.33Å; E249-W253 PolarHBondContact O-NE1 2.73Å; E249-W253 PolarHBondContact OE1-NE1 3.19Å; E250-W253 HydrophobicContact CB-CD2 4.2Å; E250-W253 HydrophobicContact CB-CE3 3.65Å; E250-W253 HydrophobicContact CB-CH2 4.25Å; E250-W253 HydrophobicContact CB-CZ3 3.68Å; E250-W253 PolarHBondContact O-N 2.93Å; W253-L256 HydrophobicContact CB-CD1 4.35Å; W253-L256 HydrophobicContact CB-CD2 3.8Å; W253-L256 HydrophobicContact CB-CG 4.15Å; W253-L256 HydrophobicContact CD2-CD2 4.15Å; W253-L256 HydrophobicContact CE3-CD1 3.94Å; W253-L256 HydrophobicContact CE3-CD2 4.28Å; W253-L256 HydrophobicContact CG-CD2 3.98Å; W253-Y317 WeakPolarHBondContact CB-OH 3.43Å; W253-Y317 PolarHBondContact O-OH 3.38Å
254	D	97.2	Very high	98.2	Very high	79 Å²	79	38.5 Å²	38.5	42%	0.422	23%	0.234	S	C	.	.	S	Bend	trans	-76	-37.6	-174.7	-53.1	-57.5	0	0	0	114.4	T252 K265 R333	T252-D254 PolarHBondContact O-N 2.84Å; D254-K265 WeakPolarHBondContact O-CB 3.44Å; D254-K265 PolarHBondContact O-N 3.11Å; D254-K265 IonicContact OD1-NZ 2.75Å; D254-K265 PolarHBondContact OD1-NZ 2.88Å; D254-R333 IonicContact OD2-NH2 3.57Å
255	E	97.9	Very high	98.2	Very high	48 Å²	48	38.1 Å²	38.1	22%	0.224	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	129.7	175.9	-77.1	-173	-165.7	0	0	109.5	R49 V263 K264 M334	R49-E255 IonicContact CZ-OE2 3.62Å; R49-E255 VanDerWaalsContact CZ-OE2 3.3Å; R49-E255 IonicContact NE-OE2 3.05Å; R49-E255 IonicContact NH2-OE1 3.99Å; R49-E255 IonicContact NH2-OE2 3.54Å; R49-E255 PolarHBondContact NH2-OE2 2.79Å; E255-V263 WeakPolarHBondContact CA-O 3.49Å; E255-K264 HydrophobicContact CG-CB 4.27Å; E255-K264 HydrophobicContact CG-CD 4.41Å; E255-K264 HydrophobicContact CG-CG 4.02Å; E255-M334 HydrophobicContact CB-CB 4.05Å; E255-M334 HydrophobicContact CB-CE 3.79Å; E255-M334 PolarHBondContact O-N 3.22Å
256	L	98.6	Very high	98.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	146.4	-178.6	-63.2	174.8	0	0	0	111.9	V54 I214 W253 I258 E262 V263 Y317 V331 Y332 R333	V54-L256 HydrophobicContact CG2-CD2 4.15Å; I214-L256 HydrophobicContact CD1-CD1 4.11Å; W253-L256 HydrophobicContact CB-CD1 4.35Å; W253-L256 HydrophobicContact CB-CD2 3.8Å; W253-L256 HydrophobicContact CB-CG 4.15Å; W253-L256 HydrophobicContact CD2-CD2 4.15Å; W253-L256 HydrophobicContact CE3-CD1 3.94Å; W253-L256 HydrophobicContact CE3-CD2 4.28Å; W253-L256 HydrophobicContact CG-CD2 3.98Å; L256-I258 HydrophobicContact CB-CG1 4.38Å; L256-I258 HydrophobicContact CD1-CD1 4.38Å; L256-E262 WeakPolarHBondContact O-CA 3.33Å; L256-V263 HydrophobicContact CB-CG2 3.7Å; L256-V263 HydrophobicContact CD1-CG2 4.37Å; L256-V263 HydrophobicContact CG-CG2 4.49Å; L256-V263 PolarHBondContact N-O 2.94Å; L256-V263 PolarHBondContact O-N 2.71Å; L256-Y317 HydrophobicContact CD1-CE1 3.96Å; L256-Y317 HydrophobicContact CG-CE1 4.19Å; L256-V331 HydrophobicContact CD1-CG1 4.16Å; L256-V331 HydrophobicContact CD2-CG1 3.9Å; L256-Y332 CarbonylContact C-O 3.55Å; L256-Y332 VanDerWaalsContact CA-O 3.28Å; L256-Y332 WeakPolarHBondContact CA-O 3.31Å; L256-R333 HydrophobicContact CD2-CB 4.29Å
257	L	98.6	Very high	98	Very high	30 Å²	30	32.2 Å²	32.2	16%	0.157	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.6	164.2	171.7	69	0	0	0	108.4	L51 V261 E262 Y332 M334	L51-L257 HydrophobicContact CD1-CD2 3.72Å; L51-L257 HydrophobicContact CD2-CB 4.43Å; L51-L257 HydrophobicContact CD2-CD2 4.01Å; L257-V261 WeakPolarHBondContact CA-O 3.48Å; L257-E262 HydrophobicContact CD1-CG 3.89Å; L257-Y332 HydrophobicContact CD2-CD2 4.48Å; L257-Y332 PolarHBondContact N-O 3.37Å; L257-Y332 PolarHBondContact O-N 3.44Å; L257-M334 HydrophobicContact CB-CG 4.42Å; L257-M334 HydrophobicContact CB-SD 4.23Å
258	I	98.7	Very high	98	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.015	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	117.2	179	-48.9	-179.9	0	0	0	108.2	V57 I214 I240 L256 S260 V261 L325 D329 V331	V57-I258 HydrophobicContact CG2-CG2 3.4Å; V57-I258 VanDerWaalsContact CG2-CG2 3.4Å; I214-I258 HydrophobicContact CD1-CD1 4.33Å; I240-I258 HydrophobicContact CD1-CD1 4.33Å; L256-I258 HydrophobicContact CB-CG1 4.38Å; L256-I258 HydrophobicContact CD1-CD1 4.38Å; I258-S260 PolarHBondContact O-N 3.12Å; I258-V261 PolarHBondContact N-O 3.39Å; I258-V261 WeakPolarHBondContact O-CB 3.49Å; I258-V261 PolarHBondContact O-N 2.99Å; I258-L325 HydrophobicContact CB-CD1 4.5Å; I258-L325 HydrophobicContact CG2-CB 4.02Å; I258-L325 HydrophobicContact CG2-CD1 3.82Å; I258-D329 HydrophobicContact CG2-CB 4.18Å; I258-V331 HydrophobicContact CD1-CG1 4.16Å; I258-V331 HydrophobicContact CD1-CG2 4.11Å; I258-V331 HydrophobicContact CG1-CB 4.46Å; I258-V331 HydrophobicContact CG1-CG1 4.09Å; I258-V331 HydrophobicContact CG1-CG2 4.16Å; I258-V331 HydrophobicContact CG2-CG2 4.31Å
259	G	98.1	Very high	98	Very high	38 Å²	38	29.4 Å²	29.4	39%	0.392	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	-112.2	-170.2	0	0	0	0	0	110.8	D329	G259-D329 WeakPolarHBondContact CA-OD2 3.38Å
260	S	98.1	Very high	98	Very high	51 Å²	51	29 Å²	29	36%	0.357	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-2.6	175.4	54.7	0	0	0	0	114.9	I258 K321 S324	I258-S260 PolarHBondContact O-N 3.12Å; S260-K321 WeakPolarHBondContact O-CE 3.32Å; S260-K321 PolarHBondContact O-NZ 3.3Å; S260-S324 PolarHBondContact N-O 3.45Å; S260-S324 VanDerWaalsContact N-O 3.11Å; S260-S324 PolarHBondContact OG-N 3.49Å; S260-S324 PolarHBondContact OG-O 2.9Å
261	V	98.5	Very high	98	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.018	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	132.7	-170.3	-173.4	0	0	0	0	110.8	C78 L257 I258 V263 V319 K321 G323 L325	C78-V261 HydrophobicContact CB-CB 4.2Å; C78-V261 HydrophobicContact CB-CG1 3.48Å; C78-V261 VanDerWaalsContact CB-CG1 3.48Å; C78-V261 HydrophobicContact CB-CG2 3.59Å; L257-V261 WeakPolarHBondContact CA-O 3.48Å; I258-V261 PolarHBondContact N-O 3.39Å; I258-V261 WeakPolarHBondContact O-CB 3.49Å; I258-V261 PolarHBondContact O-N 2.99Å; V261-V263 HydrophobicContact CG1-CG1 3.75Å; V261-V319 HydrophobicContact CG1-CG1 4.35Å; V261-K321 WeakPolarHBondContact CA-O 3.42Å; V261-K321 WeakPolarHBondContact CG1-O 3.47Å; V261-G323 VanDerWaalsContact CG2-C 3.5Å; V261-L325 HydrophobicContact CG2-CD2 3.9Å
262	E	98.3	Very high	97.9	Very high	39 Å²	39	29.9 Å²	29.9	18%	0.182	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.9	168.7	-64.3	168	-133.8	0	0	109.4	R49 L256 L257 E320 K321 M334	R49-E262 IonicContact CZ-OE2 2.67Å; R49-E262 IonicContact NH1-OE2 3.3Å; R49-E262 PolarHBondContact NH1-OE2 3.17Å; L256-E262 WeakPolarHBondContact O-CA 3.33Å; L257-E262 HydrophobicContact CD1-CG 3.89Å; E262-E320 HydrophobicContact CB-CB 4.45Å; E262-E320 PolarHBondContact O-N 3.31Å; E262-K321 HydrophobicContact CB-CB 3.78Å; E262-K321 HydrophobicContact CB-CD 4.46Å; E262-K321 HydrophobicContact CG-CB 4.22Å; E262-K321 HydrophobicContact CG-CD 4Å; E262-K321 PolarHBondContact N-O 2.82Å; E262-K321 PolarHBondContact O-N 3.34Å; E262-K321 WeakPolarHBondContact OE1-CD 3.28Å; E262-K321 IonicContact OE1-NZ 2.99Å; E262-K321 PolarHBondContact OE1-NZ 3.42Å; E262-M334 HydrophobicContact CB-CE 4.1Å; E262-M334 HydrophobicContact CG-CE 4.05Å; E262-M334 HydrophobicContact CG-SD 4.42Å
263	V	98.3	Very high	97.9	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.018	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	148.1	-178.7	-59.2	0	0	0	0	110.6	L212 I214 E255 L256 V261 Y317 S318	L212-V263 HydrophobicContact CD1-CG1 3.67Å; I214-V263 HydrophobicContact CD1-CG2 4.26Å; E255-V263 WeakPolarHBondContact CA-O 3.49Å; L256-V263 HydrophobicContact CB-CG2 3.7Å; L256-V263 HydrophobicContact CD1-CG2 4.37Å; L256-V263 HydrophobicContact CG-CG2 4.49Å; L256-V263 PolarHBondContact N-O 2.94Å; L256-V263 PolarHBondContact O-N 2.71Å; V261-V263 HydrophobicContact CG1-CG1 3.75Å; V263-Y317 HydrophobicContact CB-CD1 3.97Å; V263-Y317 HydrophobicContact CB-CG 4.36Å; V263-Y317 HydrophobicContact CG2-CD1 3.62Å; V263-Y317 HydrophobicContact CG2-CE1 4.18Å; V263-Y317 HydrophobicContact CG2-CG 4.16Å; V263-S318 VanDerWaalsContact CA-O 3.25Å; V263-S318 WeakPolarHBondContact CA-O 3.32Å; V263-S318 VanDerWaalsContact CB-O 3.24Å; V263-S318 WeakPolarHBondContact CB-O 3.2Å
264	K	97.4	Very high	97.9	Very high	79 Å²	79	30.4 Å²	30.4	34%	0.343	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	136	-178.7	179.8	174.7	-177.6	175.1	0	111.3	E255 Y317 S318 E320	E255-K264 HydrophobicContact CG-CB 4.27Å; E255-K264 HydrophobicContact CG-CD 4.41Å; E255-K264 HydrophobicContact CG-CG 4.02Å; K264-Y317 CarbonylContact O-C 3.52Å; K264-Y317 VanDerWaalsContact O-CA 3.23Å; K264-Y317 WeakPolarHBondContact O-CA 3.48Å; K264-Y317 WeakPolarHBondContact O-CD1 3.34Å; K264-S318 PolarHBondContact N-O 2.93Å; K264-S318 VanDerWaalsContact N-O 3.15Å; K264-S318 PolarHBondContact O-N 2.91Å; K264-S318 PolarHBondContact O-OG 3.41Å; K264-E320 HydrophobicContact CB-CG 3.6Å
265	K	97.5	Very high	97.9	Very high	56 Å²	56	26.9 Å²	26.9	24%	0.243	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	133.2	179.5	173.8	172.4	160.8	-159	0	110.1	D251 D254 I315 Y317	D251-K265 PolarHBondContact O-NZ 3.12Å; D254-K265 WeakPolarHBondContact O-CB 3.44Å; D254-K265 PolarHBondContact O-N 3.11Å; D254-K265 IonicContact OD1-NZ 2.75Å; D254-K265 PolarHBondContact OD1-NZ 2.88Å; K265-I315 HydrophobicContact CB-CG2 4.35Å; K265-I315 HydrophobicContact CD-CG2 4.05Å; K265-I315 HydrophobicContact CG-CG2 3.7Å; K265-Y317 HydrophobicContact CB-CD1 4.37Å; K265-Y317 HydrophobicContact CB-CE1 3.94Å
266	I	96.9	Very high	97.9	Very high	14 Å²	14	24.8 Å²	24.8	7%	0.072	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-58.2	173.6	-61.8	163.8	0	0	0	109	V195 L198 Q200 Y202 C210 Y316 S318	V195-I266 HydrophobicContact CG2-CG2 4.49Å; L198-I266 HydrophobicContact CD1-CG2 3.61Å; Q200-I266 HydrophobicContact CG-CG1 4.47Å; Q200-I266 HydrophobicContact CG-CG2 4.31Å; Y202-I266 HydrophobicContact CD1-CD1 4.11Å; Y202-I266 HydrophobicContact CE1-CD1 3.39Å; Y202-I266 HydrophobicContact CE1-CG1 4.2Å; C210-I266 HydrophobicContact CB-CD1 3.88Å; C210-I266 VanDerWaalsContact SG-CD1 3.52Å; I266-Y316 PolarHBondContact N-O 3.36Å; I266-S318 VanDerWaalsContact CD1-N 3.29Å
267	M	96.8	Very high	97.9	Very high	11 Å²	11	25 Å²	25	5%	0.054	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	165.8	-174.3	61.3	-176.5	-64.3	0	0	109.9	V195 L198 P270 L306 Y307 Y316	V195-M267 HydrophobicContact CG1-SD 3.68Å; L198-M267 HydrophobicContact CD1-CB 4.11Å; L198-M267 HydrophobicContact CD1-CG 4.49Å; L198-M267 HydrophobicContact CD1-SD 4.32Å; M267-P270 HydrophobicContact CE-CG 4.37Å; M267-L306 HydrophobicContact CB-CD2 4.27Å; M267-L306 HydrophobicContact CE-CD1 3.72Å; M267-L306 HydrophobicContact CE-CD2 4.06Å; M267-L306 HydrophobicContact CE-CG 3.77Å; M267-L306 HydrophobicContact SD-CD1 4.36Å; M267-Y307 HydrophobicContact CB-CE1 4.23Å; M267-Y307 HydrophobicContact CE-CD1 3.86Å; M267-Y307 HydrophobicContact CE-CE1 3.44Å; M267-Y307 VanDerWaalsContact CE-CE1 3.44Å; M267-Y316 HydrophobicContact CG-CD2 4.04Å; M267-Y316 PolarHBondContact O-N 2.83Å
268	A	98.1	Very high	97.9	Very high	8 Å²	8	24.7 Å²	24.7	7%	0.066	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	159.4	166.1	0	0	0	0	0	111.6	P270 Y307 L312 I315	A268-P270 WeakPolarHBondContact O-CD 3.44Å; A268-Y307 HydrophobicContact CB-CE1 4Å; A268-Y307 PolarHBondContact N-OH 3.06Å; A268-Y307 WeakPolarHBondContact O-CE1 3.26Å; A268-L312 HydrophobicContact CB-CB 4.04Å; A268-L312 HydrophobicContact CB-CD1 3.81Å; A268-L312 HydrophobicContact CB-CD2 4.01Å; A268-L312 HydrophobicContact CB-CG 4.17Å; A268-I315 HydrophobicContact CB-CD1 3.72Å
269	C	98.4	Very high	97.8	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.02	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	104.2	177.4	-175.9	0	0	0	0	110.7	L213 R271 F313 G314 Y316	L213-C269 HydrophobicContact CD1-CB 3.67Å; C269-R271 WeakPolarHBondContact O-CD 3.41Å; C269-R271 PolarHBondContact O-N 2.81Å; C269-R271 PolarHBondContact SG-NE 3.02Å; C269-F313 WeakPolarHBondContact CB-O 3.42Å; C269-F313 PolarHBondContact O-N 2.92Å; C269-G314 VanDerWaalsContact CB-O 3.3Å; C269-G314 WeakPolarHBondContact CB-O 3.47Å; C269-G314 PolarHBondContact N-O 2.82Å; C269-Y316 HydrophobicContact CB-CD2 3.99Å; C269-Y316 HydrophobicContact CB-CE2 3.77Å; C269-Y316 VanDerWaalsContact SG-CE2 3.54Å; C269-Y316 PolarHBondContact SG-OH 3.4Å; C269-Y316 VanDerWaalsContact SG-OH 3.35Å
270	P	98	Very high	97.8	Very high	40 Å²	40	27.6 Å²	27.6	26%	0.26	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	124	172.1	26.2	-34.3	0	0	0	109.9	M267 A268 Y307 S310 L312	M267-P270 HydrophobicContact CE-CG 4.37Å; A268-P270 WeakPolarHBondContact O-CD 3.44Å; P270-Y307 HydrophobicContact CB-CD1 4.3Å; P270-Y307 HydrophobicContact CG-CD1 4.35Å; P270-S310 VanDerWaalsContact CB-CB 3.44Å; P270-L312 HydrophobicContact CB-CD2 4.5Å
271	R	98.1	Very high	97.8	Very high	14 Å²	14	28.8 Å²	28.8	5%	0.053	16%	0.155	C	C	.	.			trans	-87.7	142.8	-175.7	-58.5	-48.2	-174.2	148.6	1.2	112.3	M215 F236 C269 T275 L290 L293 P311 F313	M215-R271 PolarHBondContact SD-NH2 2.94Å; F236-R271 PolarHBondContact O-NH1 2.9Å; C269-R271 WeakPolarHBondContact O-CD 3.41Å; C269-R271 PolarHBondContact O-N 2.81Å; C269-R271 PolarHBondContact SG-NE 3.02Å; R271-T275 HydrophobicContact CB-CG2 4.16Å; R271-T275 HydrophobicContact CG-CG2 4.43Å; R271-L290 HydrophobicContact CB-CD2 3.86Å; R271-L293 HydrophobicContact CG-CD1 4.49Å; R271-P311 HydrophobicContact CB-CG 4.44Å; R271-P311 PolarHBondContact N-O 2.86Å; R271-F313 HydrophobicContact CG-CB 3.79Å; R271-F313 PolarHBondContact NE-O 2.86Å; R271-F313 PolarHBondContact NH2-O 2.63Å
272	C	96.3	Very high	97.7	Very high	47 Å²	47	28.9 Å²	28.9	32%	0.318	16%	0.157	S	C	.	.			trans	-130.2	175.7	-176.6	73.1	0	0	0	0	111.2	L274 T275	C272-L274 PolarHBondContact O-N 2.88Å; C272-T275 PolarHBondContact O-N 2.9Å; C272-T275 PolarHBondContact O-OG1 2.83Å
273	I	97.7	Very high	97.7	Very high	53 Å²	53	31.3 Å²	31.3	27%	0.272	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-56.4	-13.1	-174.9	-160.8	67.6	0	0	0	114.5	R106 T275 T276 I284 L290	R106-I273 HydrophobicContact CB-CG2 4.12Å; R106-I273 HydrophobicContact CG-CG2 3.78Å; I273-T275 PolarHBondContact O-N 2.93Å; I273-T276 HydrophobicContact CD1-CG2 4Å; I273-T276 WeakPolarHBondContact CD1-OG1 3.2Å; I273-T276 PolarHBondContact O-N 2.86Å; I273-T276 PolarHBondContact O-OG1 3.35Å; I273-I284 HydrophobicContact CG1-CG2 4.5Å; I273-L290 HydrophobicContact CB-CD1 4.49Å; I273-L290 HydrophobicContact CD1-CD1 4.22Å
274	L	97.9	Very high	97.6	Very high	20 Å²	20	33.2 Å²	33.2	11%	0.105	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-62.3	-33.8	171.5	-165.8	152.4	0	0	0	112.1	A105 R106 R237 C272 T276 V277	A105-L274 HydrophobicContact CB-CD1 3.93Å; A105-L274 HydrophobicContact CB-CG 4.06Å; R106-L274 HydrophobicContact CG-CB 4.11Å; R237-L274 HydrophobicContact CG-CD2 4.39Å; C272-L274 PolarHBondContact O-N 2.88Å; L274-T276 PolarHBondContact O-N 3.35Å; L274-V277 WeakPolarHBondContact O-CB 3.5Å; L274-V277 WeakPolarHBondContact O-CG2 3.5Å; L274-V277 PolarHBondContact O-N 3.32Å; L274-V277 VanDerWaalsContact O-N 3.09Å
275	T	98	Very high	97.4	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.031	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-63.3	-22.6	-179.9	55.4	0	0	0	0	113.8	N235 F236 R271 C272 I273 V277 P289 L290	N235-T275 PolarHBondContact ND2-O 3.15Å; N235-T275 WeakPolarHBondContact O-CA 3.23Å; F236-T275 HydrophobicContact CD1-CG2 3.63Å; F236-T275 HydrophobicContact CE1-CG2 3.89Å; R271-T275 HydrophobicContact CB-CG2 4.16Å; R271-T275 HydrophobicContact CG-CG2 4.43Å; C272-T275 PolarHBondContact O-N 2.9Å; C272-T275 PolarHBondContact O-OG1 2.83Å; I273-T275 PolarHBondContact O-N 2.93Å; T275-V277 VanDerWaalsContact C-N 3.35Å; T275-P289 WeakPolarHBondContact O-CD 3.46Å; T275-L290 WeakPolarHBondContact OG1-CD2 3.39Å
276	T	98.1	Very high	97	Very high	4 Å²	4	39.4 Å²	39.4	3%	0.025	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-89.8	-1.9	179.9	76.9	0	0	0	0	112.9	I273 L274 D278 D285 E288 L290	I273-T276 HydrophobicContact CD1-CG2 4Å; I273-T276 WeakPolarHBondContact CD1-OG1 3.2Å; I273-T276 PolarHBondContact O-N 2.86Å; I273-T276 PolarHBondContact O-OG1 3.35Å; L274-T276 PolarHBondContact O-N 3.35Å; T276-D278 PolarHBondContact O-N 2.67Å; T276-D285 WeakPolarHBondContact CB-O 3.49Å; T276-D285 PolarHBondContact O-N 3.17Å; T276-D285 PolarHBondContact OG1-O 3.11Å; T276-E288 VanDerWaalsContact CA-O 3.29Å; T276-E288 WeakPolarHBondContact CA-O 3.22Å; T276-E288 WeakPolarHBondContact CB-O 3.22Å; T276-E288 WeakPolarHBondContact CG2-O 3.36Å; T276-L290 HydrophobicContact CG2-CB 4.3Å; T276-L290 HydrophobicContact CG2-CD1 3.8Å; T276-L290 HydrophobicContact CG2-CG 3.71Å
277	V	98.4	Very high	96.9	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.018	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-75.4	121.4	169.6	-174.5	0	0	0	0	108.7	A105 P109 V112 N235 L274 T275 I284	A105-V277 HydrophobicContact CB-CG2 4.45Å; P109-V277 HydrophobicContact CB-CG1 3.76Å; P109-V277 HydrophobicContact CB-CG2 3.93Å; V112-V277 HydrophobicContact CB-CG1 4.48Å; V112-V277 HydrophobicContact CG1-CB 4.49Å; V112-V277 HydrophobicContact CG1-CG1 3.8Å; V112-V277 HydrophobicContact CG2-CG1 3.86Å; N235-V277 PolarHBondContact ND2-O 2.84Å; L274-V277 WeakPolarHBondContact O-CB 3.5Å; L274-V277 WeakPolarHBondContact O-CG2 3.5Å; L274-V277 PolarHBondContact O-N 3.32Å; L274-V277 VanDerWaalsContact O-N 3.09Å; T275-V277 VanDerWaalsContact C-N 3.35Å; V277-I284 HydrophobicContact CG2-CG1 3.84Å
278	D	98.1	Very high	96.9	Very high	25 Å²	25	46.8 Å²	46.8	13%	0.134	24%	0.24	C	C	.	.			trans	-68.5	121	172.5	-177.2	-69.5	0	0	0	110.5	K229 T276 D280 T281 G282 V283	K229-D278 IonicContact NZ-OD2 3.67Å; K229-D278 PolarHBondContact NZ-OD2 2.89Å; T276-D278 PolarHBondContact O-N 2.67Å; D278-D280 PolarHBondContact O-N 2.84Å; D278-D280 PolarHBondContact OD1-N 3.17Å; D278-D280 VanDerWaalsContact OD1-N 3.08Å; D278-T281 VanDerWaalsContact CB-OG1 3.25Å; D278-T281 WeakPolarHBondContact CB-OG1 3.25Å; D278-T281 PolarHBondContact OD1-N 2.61Å; D278-T281 PolarHBondContact OD1-OG1 2.86Å; D278-G282 WeakPolarHBondContact O-CA 3.19Å; D278-G282 PolarHBondContact O-N 2.93Å; D278-V283 PolarHBondContact N-O 2.91Å
279	P	97.7	Very high	96.9	Very high	15 Å²	15	46.4 Å²	46.4	10%	0.097	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-9.9	-171	29.9	-36.3	0	0	0	114.7	K69 K232 E234	K69-P279 WeakPolarHBondContact CE-O 3.37Å; K69-P279 PolarHBondContact NZ-O 2.83Å; K232-P279 HydrophobicContact CD-CG 4.35Å; E234-P279 HydrophobicContact CB-CB 4.17Å; E234-P279 HydrophobicContact CB-CG 4.2Å
280	D	97.5	Very high	96.9	Very high	87 Å²	87	47 Å²	47	47%	0.465	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-28.7	-178.8	-59.5	-45	0	0	0	112.4	K69 L113 K232 D278	K69-D280 IonicContact NZ-OD1 3.95Å; L113-D280 VanDerWaalsContact CD2-C 3.46Å; L113-D280 WeakPolarHBondContact CD2-O 3.24Å; K232-D280 IonicContact NZ-OD2 3.93Å; K232-D280 PolarHBondContact NZ-OD2 3.01Å; D278-D280 PolarHBondContact O-N 2.84Å; D278-D280 PolarHBondContact OD1-N 3.17Å; D278-D280 VanDerWaalsContact OD1-N 3.08Å
281	T	97.4	Very high	96.9	Very high	75 Å²	75	48 Å²	48	46%	0.46	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-18.2	-178.6	61.1	0	0	0	0	114.2	D278 V283	D278-T281 VanDerWaalsContact CB-OG1 3.25Å; D278-T281 WeakPolarHBondContact CB-OG1 3.25Å; D278-T281 PolarHBondContact OD1-N 2.61Å; D278-T281 PolarHBondContact OD1-OG1 2.86Å; T281-V283 PolarHBondContact O-N 3.36Å
282	G	97.5	Very high	96.9	Very high	5 Å²	5	48.2 Å²	48.2	5%	0.052	25%	0.246	C	C	.	.			trans	68.5	17.5	-176.9	0	0	0	0	0	113.6	P109 D278	P109-G282 WeakPolarHBondContact CB-O 3.1Å; P109-G282 WeakPolarHBondContact CG-O 3.26Å; D278-G282 WeakPolarHBondContact O-CA 3.19Å; D278-G282 PolarHBondContact O-N 2.93Å
283	V	97.5	Very high	97	Very high	91 Å²	91	46 Å²	46	55%	0.552	23%	0.231	S	C	*	.	P	Polyproline II helix	trans	-91.1	136.5	178.2	178.9	0	0	0	0	109.7	D278 T281	D278-V283 PolarHBondContact N-O 2.91Å; T281-V283 PolarHBondContact O-N 3.36Å
284	I	96.4	Very high	97	Very high	42 Å²	42	47.5 Å²	47.5	22%	0.215	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-86.4	116.8	173.8	-70.5	171	0	0	0	109	P109 I273 V277 R286	P109-I284 HydrophobicContact CB-CD1 3.8Å; P109-I284 HydrophobicContact CB-CG1 3.66Å; P109-I284 HydrophobicContact CG-CD1 3.67Å; P109-I284 HydrophobicContact CG-CG1 3.87Å; I273-I284 HydrophobicContact CG1-CG2 4.5Å; V277-I284 HydrophobicContact CG2-CG1 3.84Å; I284-R286 HydrophobicContact CG2-CG 3.74Å
285	D	92.4	Very high	97	Very high	63 Å²	63	51 Å²	51	34%	0.337	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-71.4	137.6	149.7	-169.5	-46.4	0	0	0	107.5	T276 K287 E288	T276-D285 WeakPolarHBondContact CB-O 3.49Å; T276-D285 PolarHBondContact O-N 3.17Å; T276-D285 PolarHBondContact OG1-O 3.11Å; D285-K287 PolarHBondContact OD1-N 2.78Å; D285-E288 PolarHBondContact OD1-N 3.32Å
286	R	90.5	Very high	97	Very high	203 Å²	203	53.5 Å²	53.5	77%	0.766	27%	0.271	S	S	*	.	S	Bend	trans	-93.5	-0.3	-179.4	-72.6	-172	-179.9	-97.9	1.3	114.1	I284	I284-R286 HydrophobicContact CG2-CG 3.74Å
287	K	93.9	Very high	97	Very high	134 Å²	134	54.9 Å²	54.9	58%	0.583	28%	0.275	S	S	*	.	S	Bend	trans	-120.3	-59.8	-177.3	-62.1	-177.8	178.2	-177.8	0	111.7	D285 L290 D291	D285-K287 PolarHBondContact OD1-N 2.78Å; K287-L290 WeakPolarHBondContact O-CA 3.45Å; K287-L290 WeakPolarHBondContact O-CB 3.33Å; K287-L290 PolarHBondContact O-N 3.21Å; K287-D291 WeakPolarHBondContact CB-OD2 3.49Å; K287-D291 PolarHBondContact O-N 2.57Å
288	E	97.2	Very high	97	Very high	46 Å²	46	59.2 Å²	59.2	22%	0.215	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	140.1	-167	-66.2	-50.4	146.9	0	0	113.8	I227 T276 D285 T292	I227-E288 HydrophobicContact CD1-CB 3.75Å; I227-E288 HydrophobicContact CD1-CG 4.07Å; I227-E288 HydrophobicContact CG1-CG 4.47Å; T276-E288 VanDerWaalsContact CA-O 3.29Å; T276-E288 WeakPolarHBondContact CA-O 3.22Å; T276-E288 WeakPolarHBondContact CB-O 3.22Å; T276-E288 WeakPolarHBondContact CG2-O 3.36Å; D285-E288 PolarHBondContact OD1-N 3.32Å; E288-T292 VanDerWaalsContact CD-OG1 3.28Å; E288-T292 PolarHBondContact OE1-OG1 3.49Å; E288-T292 WeakPolarHBondContact OE2-CB 3.31Å; E288-T292 PolarHBondContact OE2-N 3.39Å; E288-T292 PolarHBondContact OE2-OG1 3.48Å
289	P	97.8	Very high	96.9	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	cis	-92.4	11.4	9.9	36.6	-35.7	0	0	0	114.7	L223 I227 M231 F236 T275 L293	L223-P289 HydrophobicContact CD2-CB 4.17Å; I227-P289 HydrophobicContact CD1-CB 4.09Å; M231-P289 HydrophobicContact CG-CB 3.67Å; M231-P289 HydrophobicContact CG-CG 3.85Å; M231-P289 HydrophobicContact SD-CB 3.91Å; M231-P289 HydrophobicContact SD-CG 3.67Å; F236-P289 HydrophobicContact CE1-CG 3.92Å; F236-P289 HydrophobicContact CZ-CB 4.39Å; F236-P289 HydrophobicContact CZ-CG 3.7Å; T275-P289 WeakPolarHBondContact O-CD 3.46Å; P289-L293 HydrophobicContact CB-CD1 4.47Å; P289-L293 HydrophobicContact CG-CD1 4.45Å; P289-L293 WeakPolarHBondContact O-CB 3.33Å; P289-L293 VanDerWaalsContact O-CG 3.31Å; P289-L293 WeakPolarHBondContact O-CG 3.47Å; P289-L293 PolarHBondContact O-N 3.06Å
290	L	98.1	Very high	96.9	Very high	14 Å²	14	62.4 Å²	62.4	7%	0.073	32%	0.315	C	S	.	.	H	α-helix	trans	-69	-38.6	-172.9	-72.9	178.4	0	0	0	113.3	R271 I273 T275 T276 K287 L293 K294 P311	R271-L290 HydrophobicContact CB-CD2 3.86Å; I273-L290 HydrophobicContact CB-CD1 4.49Å; I273-L290 HydrophobicContact CD1-CD1 4.22Å; T275-L290 WeakPolarHBondContact OG1-CD2 3.39Å; T276-L290 HydrophobicContact CG2-CB 4.3Å; T276-L290 HydrophobicContact CG2-CD1 3.8Å; T276-L290 HydrophobicContact CG2-CG 3.71Å; K287-L290 WeakPolarHBondContact O-CA 3.45Å; K287-L290 WeakPolarHBondContact O-CB 3.33Å; K287-L290 PolarHBondContact O-N 3.21Å; L290-L293 PolarHBondContact O-N 3.29Å; L290-K294 WeakPolarHBondContact O-CB 3.29Å; L290-K294 WeakPolarHBondContact O-CG 3.19Å; L290-K294 PolarHBondContact O-N 3.19Å; L290-P311 HydrophobicContact CD2-CG 4.27Å
291	D	97.9	Very high	96.7	Very high	62 Å²	62	62.1 Å²	62.1	33%	0.332	32%	0.318	S	S	.	.	H	α-helix	trans	-70.5	-43	-179.4	-71.6	-12.1	0	0	0	110.8	K287 L293 K294 S295	K287-D291 WeakPolarHBondContact CB-OD2 3.49Å; K287-D291 PolarHBondContact O-N 2.57Å; D291-L293 PolarHBondContact O-N 2.73Å; D291-K294 PolarHBondContact O-N 2.99Å; D291-K294 IonicContact OD1-NZ 2.7Å; D291-K294 PolarHBondContact OD1-NZ 3.08Å; D291-S295 PolarHBondContact O-N 2.85Å
292	T	98.4	Very high	96.6	Very high	18 Å²	18	63.3 Å²	63.3	11%	0.11	33%	0.33	C	S	.	.	H	α-helix	trans	-54.3	-52	166.6	-60.3	0	0	0	0	111.5	L223 R226 E288 K294 S295 Y296	L223-T292 HydrophobicContact CD1-CG2 3.75Å; R226-T292 HydrophobicContact CB-CG2 3.73Å; E288-T292 VanDerWaalsContact CD-OG1 3.28Å; E288-T292 PolarHBondContact OE1-OG1 3.49Å; E288-T292 WeakPolarHBondContact OE2-CB 3.31Å; E288-T292 PolarHBondContact OE2-N 3.39Å; E288-T292 PolarHBondContact OE2-OG1 3.48Å; T292-K294 PolarHBondContact O-N 3.05Å; T292-S295 WeakPolarHBondContact O-CB 3.3Å; T292-S295 PolarHBondContact O-N 2.99Å; T292-S295 VanDerWaalsContact O-N 3.08Å; T292-S295 PolarHBondContact O-OG 2.96Å; T292-Y296 HydrophobicContact CG2-CE1 4.36Å; T292-Y296 WeakPolarHBondContact O-CD1 3.35Å
293	L	98.5	Very high	96.5	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-61.7	-38.2	-179.7	-79	170.4	0	0	0	113.3	L223 F236 R271 P289 L290 D291 S295 Y296 R297 P311 F313	L223-L293 HydrophobicContact CD1-CD2 3.89Å; L223-L293 HydrophobicContact CD1-CG 3.9Å; L223-L293 HydrophobicContact CD2-CD1 4.31Å; L223-L293 HydrophobicContact CD2-CD2 4.2Å; L223-L293 HydrophobicContact CD2-CG 4.25Å; F236-L293 HydrophobicContact CE1-CD1 4.01Å; R271-L293 HydrophobicContact CG-CD1 4.49Å; P289-L293 HydrophobicContact CB-CD1 4.47Å; P289-L293 HydrophobicContact CG-CD1 4.45Å; P289-L293 WeakPolarHBondContact O-CB 3.33Å; P289-L293 VanDerWaalsContact O-CG 3.31Å; P289-L293 WeakPolarHBondContact O-CG 3.47Å; P289-L293 PolarHBondContact O-N 3.06Å; L290-L293 PolarHBondContact O-N 3.29Å; D291-L293 PolarHBondContact O-N 2.73Å; L293-S295 PolarHBondContact O-N 3.05Å; L293-Y296 HydrophobicContact CD2-CE1 4.2Å; L293-Y296 PolarHBondContact O-N 3.22Å; L293-R297 HydrophobicContact CD2-CB 4.28Å; L293-R297 HydrophobicContact CD2-CG 4.06Å; L293-R297 WeakPolarHBondContact O-CA 3.46Å; L293-R297 WeakPolarHBondContact O-CB 3.23Å; L293-R297 PolarHBondContact O-N 2.77Å; L293-P311 HydrophobicContact CB-CB 3.75Å; L293-P311 HydrophobicContact CB-CG 3.68Å; L293-F313 HydrophobicContact CD2-CB 4.36Å; L293-F313 HydrophobicContact CD2-CD2 4Å; L293-F313 HydrophobicContact CD2-CE2 4.45Å; L293-F313 HydrophobicContact CD2-CG 4.16Å
294	K	98.1	Very high	96.2	Very high	86 Å²	86	69.7 Å²	69.7	37%	0.374	35%	0.346	S	S	.	.	H	α-helix	trans	-61.7	-26.7	175	-74	165.5	-157.6	159.3	0	112.9	L290 D291 T292 Y296 L298 P311	L290-K294 WeakPolarHBondContact O-CB 3.29Å; L290-K294 WeakPolarHBondContact O-CG 3.19Å; L290-K294 PolarHBondContact O-N 3.19Å; D291-K294 PolarHBondContact O-N 2.99Å; D291-K294 IonicContact OD1-NZ 2.7Å; D291-K294 PolarHBondContact OD1-NZ 3.08Å; T292-K294 PolarHBondContact O-N 3.05Å; K294-Y296 VanDerWaalsContact C-N 3.29Å; K294-Y296 PolarHBondContact O-N 2.82Å; K294-L298 WeakPolarHBondContact O-CD1 3.44Å; K294-L298 WeakPolarHBondContact O-CG 3.44Å; K294-P311 HydrophobicContact CG-CG 4.07Å
295	S	98	Very high	96	Very high	94 Å²	94	76.5 Å²	76.5	66%	0.657	38%	0.376	S	S	*	.	H	α-helix	trans	-68.3	-25.2	-178.6	74.7	0	0	0	0	113.9	D291 T292 L293	D291-S295 PolarHBondContact O-N 2.85Å; T292-S295 WeakPolarHBondContact O-CB 3.3Å; T292-S295 PolarHBondContact O-N 2.99Å; T292-S295 VanDerWaalsContact O-N 3.08Å; T292-S295 PolarHBondContact O-OG 2.96Å; L293-S295 PolarHBondContact O-N 3.05Å
296	Y	98	Very high	96	Very high	57 Å²	57	76 Å²	76	22%	0.224	37%	0.374	C	S	.	.	H	α-helix	trans	-144.6	-4.7	-171.5	81.3	-71.3	0	0	0	116.3	D222 L223 R226 F248 T292 L293 K294	D222-Y296 WeakPolarHBondContact OD2-CE2 3.36Å; D222-Y296 PolarHBondContact OD2-OH 3.22Å; L223-Y296 WeakPolarHBondContact CA-OH 3.33Å; L223-Y296 HydrophobicContact CD1-CE1 4.38Å; R226-Y296 VanDerWaalsContact CD-CE1 3.49Å; R226-Y296 WeakPolarHBondContact CD-OH 3.4Å; R226-Y296 VanDerWaalsContact NE-CE2 3.27Å; F248-Y296 HydrophobicContact CE2-CE2 4.01Å; F248-Y296 AromaticContact CZ-CE2 3.63Å; F248-Y296 HydrophobicContact CZ-CE2 3.63Å; T292-Y296 HydrophobicContact CG2-CE1 4.36Å; T292-Y296 WeakPolarHBondContact O-CD1 3.35Å; L293-Y296 HydrophobicContact CD2-CE1 4.2Å; L293-Y296 PolarHBondContact O-N 3.22Å; K294-Y296 VanDerWaalsContact C-N 3.29Å; K294-Y296 PolarHBondContact O-N 2.82Å
297	R	98.1	Very high	96.2	Very high	32 Å²	32	66.9 Å²	66.9	12%	0.121	34%	0.339	C	S	.	.			trans	-123.2	26.8	-176.8	-67.7	-65.9	-59.6	177.7	-0.8	113.7	F248 D251 L293 P311 L312	F248-R297 HydrophobicContact CE1-CG 4.32Å; F248-R297 HydrophobicContact CZ-CG 4.5Å; D251-R297 IonicContact OD1-NH2 2.67Å; D251-R297 PolarHBondContact OD1-NH2 2.7Å; D251-R297 IonicContact OD2-CZ 2.72Å; D251-R297 IonicContact OD2-NH1 2.66Å; D251-R297 PolarHBondContact OD2-NH1 2.98Å; D251-R297 IonicContact OD2-NH2 2.78Å; D251-R297 PolarHBondContact OD2-NH2 2.78Å; L293-R297 HydrophobicContact CD2-CB 4.28Å; L293-R297 HydrophobicContact CD2-CG 4.06Å; L293-R297 WeakPolarHBondContact O-CA 3.46Å; L293-R297 WeakPolarHBondContact O-CB 3.23Å; L293-R297 PolarHBondContact O-N 2.77Å; R297-P311 HydrophobicContact CB-CB 4.25Å; R297-P311 CarbonylContact O-C 3.47Å; R297-P311 VanDerWaalsContact O-CA 3.23Å; R297-P311 WeakPolarHBondContact O-CA 3.42Å; R297-L312 WeakPolarHBondContact CB-O 3.39Å; R297-L312 PolarHBondContact NE-O 3.35Å; R297-L312 PolarHBondContact NH2-O 2.96Å; R297-L312 VanDerWaalsContact NH2-O 3.13Å; R297-L312 PolarHBondContact O-N 2.79Å
298	L	98.1	Very high	96.2	Very high	95 Å²	95	68 Å²	68	50%	0.497	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-70.6	150.6	167.8	-67.5	172.8	0	0	0	110.6	K294 S309	K294-L298 WeakPolarHBondContact O-CD1 3.44Å; K294-L298 WeakPolarHBondContact O-CG 3.44Å; L298-S309 WeakPolarHBondContact CD2-O 3.05Å
299	C	96.6	Very high	96.1	Very high	15 Å²	15	70.2 Å²	70.2	10%	0.101	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-65.9	162.3	174.9	64.4	0	0	0	0	112.3	E303 Y307 L312	C299-E303 HydrophobicContact CB-CB 4.19Å; C299-Y307 HydrophobicContact CB-CD2 3.58Å; C299-Y307 HydrophobicContact CB-CE2 4.33Å; C299-Y307 HydrophobicContact CB-CG 4.2Å; C299-L312 HydrophobicContact CB-CD1 3.75Å; C299-L312 HydrophobicContact CB-CG 4.3Å
300	D	95.9	Very high	96.1	Very high	91 Å²	91	72 Å²	72	49%	0.487	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-57.7	145.6	167.7	-174.9	-87.8	0	0	0	110.8	S302 E303	D300-S302 PolarHBondContact O-N 3.17Å; D300-S302 VanDerWaalsContact O-N 3.09Å; D300-S302 VanDerWaalsContact OD1-CB 3.27Å; D300-S302 WeakPolarHBondContact OD1-CB 3.47Å; D300-S302 PolarHBondContact OD1-N 3.48Å; D300-S302 PolarHBondContact OD1-OG 2.98Å; D300-E303 PolarHBondContact O-N 3.46Å
301	P	94.9	Very high	96.1	Very high	81 Å²	81	71.5 Å²	71.5	53%	0.526	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-49.9	-31.3	175.3	-30.6	37.5	0	0	0	115.5	E303 R304	P301-E303 VanDerWaalsContact C-N 3.31Å; P301-E303 PolarHBondContact O-N 3.09Å; P301-R304 WeakPolarHBondContact O-CB 3.5Å; P301-R304 WeakPolarHBondContact O-CG 3.35Å; P301-R304 PolarHBondContact O-N 3.15Å
302	S	94.8	Very high	96.1	Very high	100 Å²	100	69.2 Å²	69.2	70%	0.699	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-68.2	-23.9	177.1	62.2	0	0	0	0	114.2	D300	D300-S302 PolarHBondContact O-N 3.17Å; D300-S302 VanDerWaalsContact O-N 3.09Å; D300-S302 VanDerWaalsContact OD1-CB 3.27Å; D300-S302 WeakPolarHBondContact OD1-CB 3.47Å; D300-S302 PolarHBondContact OD1-N 3.48Å; D300-S302 PolarHBondContact OD1-OG 2.98Å
303	E	94.4	Very high	96.2	Very high	79 Å²	79	68.3 Å²	68.3	37%	0.369	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-97.1	4.6	-179	-58.6	-173.3	103.6	0	0	113.5	C299 D300 P301 E305 L306 Y307	C299-E303 HydrophobicContact CB-CB 4.19Å; D300-E303 PolarHBondContact O-N 3.46Å; P301-E303 VanDerWaalsContact C-N 3.31Å; P301-E303 PolarHBondContact O-N 3.09Å; E303-E305 PolarHBondContact O-N 3.42Å; E303-E305 VanDerWaalsContact O-N 3.15Å; E303-L306 PolarHBondContact O-N 2.98Å; E303-Y307 HydrophobicContact CB-CD2 3.68Å; E303-Y307 HydrophobicContact CB-CE2 3.75Å; E303-Y307 HydrophobicContact CG-CE2 4.29Å; E303-Y307 PolarHBondContact O-N 3.18Å; E303-Y307 WeakPolarHBondContact OE1-CE2 3.42Å
304	R	92.8	Very high	96.2	Very high	152 Å²	152	68.3 Å²	68.3	57%	0.574	36%	0.357	S	S	*	.	H	α-helix	trans	-60.2	-26	-174.6	-78.5	177	177.5	172.2	1.7	114.7	P301 L306 K308	P301-R304 WeakPolarHBondContact O-CB 3.5Å; P301-R304 WeakPolarHBondContact O-CG 3.35Å; P301-R304 PolarHBondContact O-N 3.15Å; R304-L306 VanDerWaalsContact C-N 3.26Å; R304-L306 PolarHBondContact O-N 3.18Å; R304-K308 WeakPolarHBondContact O-CA 3.36Å; R304-K308 PolarHBondContact O-N 2.79Å
305	E	91.9	Very high	96.2	Very high	184 Å²	184	64.3 Å²	64.3	86%	0.86	34%	0.34	S	S	*	.	H	α-helix	trans	-63.8	-34.2	174.3	-64.9	-158.2	145.9	0	0	112.3	E303	E303-E305 PolarHBondContact O-N 3.42Å; E303-E305 VanDerWaalsContact O-N 3.15Å
306	L	91.8	Very high	96.2	Very high	53 Å²	53	61.1 Å²	61.1	28%	0.277	31%	0.313	S	S	.	.	H	α-helix	trans	-82.7	-47.6	-178.5	-178.4	58.3	0	0	0	112.1	M267 E303 R304	M267-L306 HydrophobicContact CB-CD2 4.27Å; M267-L306 HydrophobicContact CE-CD1 3.72Å; M267-L306 HydrophobicContact CE-CD2 4.06Å; M267-L306 HydrophobicContact CE-CG 3.77Å; M267-L306 HydrophobicContact SD-CD1 4.36Å; E303-L306 PolarHBondContact O-N 2.98Å; R304-L306 VanDerWaalsContact C-N 3.26Å; R304-L306 PolarHBondContact O-N 3.18Å
307	Y	95.3	Very high	96.3	Very high	12 Å²	12	58.4 Å²	58.4	5%	0.047	30%	0.303	C	S	.	.	H	α-helix	trans	-104.1	-13.8	-171.7	-52.2	-70.8	0	0	0	115	M267 A268 P270 C299 E303 S309 S310 L312	M267-Y307 HydrophobicContact CB-CE1 4.23Å; M267-Y307 HydrophobicContact CE-CD1 3.86Å; M267-Y307 HydrophobicContact CE-CE1 3.44Å; M267-Y307 VanDerWaalsContact CE-CE1 3.44Å; A268-Y307 HydrophobicContact CB-CE1 4Å; A268-Y307 PolarHBondContact N-OH 3.06Å; A268-Y307 WeakPolarHBondContact O-CE1 3.26Å; P270-Y307 HydrophobicContact CB-CD1 4.3Å; P270-Y307 HydrophobicContact CG-CD1 4.35Å; C299-Y307 HydrophobicContact CB-CD2 3.58Å; C299-Y307 HydrophobicContact CB-CE2 4.33Å; C299-Y307 HydrophobicContact CB-CG 4.2Å; E303-Y307 HydrophobicContact CB-CD2 3.68Å; E303-Y307 HydrophobicContact CB-CE2 3.75Å; E303-Y307 HydrophobicContact CG-CE2 4.29Å; E303-Y307 PolarHBondContact O-N 3.18Å; E303-Y307 WeakPolarHBondContact OE1-CE2 3.42Å; Y307-S309 PolarHBondContact O-N 3.47Å; Y307-S310 WeakPolarHBondContact O-CB 3.39Å; Y307-S310 PolarHBondContact O-N 3.37Å; Y307-L312 HydrophobicContact CD1-CD2 3.41Å; Y307-L312 VanDerWaalsContact CD1-CD2 3.41Å; Y307-L312 HydrophobicContact CD2-CD1 4.25Å; Y307-L312 HydrophobicContact CD2-CD2 4.21Å; Y307-L312 HydrophobicContact CE1-CD2 3.82Å; Y307-L312 HydrophobicContact CE2-CD1 4.18Å; Y307-L312 HydrophobicContact CG-CD1 4.49Å; Y307-L312 HydrophobicContact CG-CD2 3.62Å
308	K	93.8	Very high	96.2	Very high	157 Å²	157	57 Å²	57	68%	0.683	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	-114.7	-178	-55.2	176.8	-178	-179.3	0	111.8	R304	R304-K308 WeakPolarHBondContact O-CA 3.36Å; R304-K308 PolarHBondContact O-N 2.79Å
309	S	95	Very high	96.2	Very high	92 Å²	92	53.6 Å²	53.6	64%	0.643	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.7	14.1	176.8	55.4	0	0	0	0	112.7	L298 Y307	L298-S309 WeakPolarHBondContact CD2-O 3.05Å; Y307-S309 PolarHBondContact O-N 3.47Å
310	S	97.6	Very high	96.2	Very high	39 Å²	39	58.2 Å²	58.2	27%	0.273	30%	0.301	S	S	.	.			trans	-78.3	130.6	176.4	-61.6	0	0	0	0	110.5	P270 Y307	P270-S310 VanDerWaalsContact CB-CB 3.44Å; Y307-S310 WeakPolarHBondContact O-CB 3.39Å; Y307-S310 PolarHBondContact O-N 3.37Å
311	P	98.4	Very high	96.2	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.013	30%	0.296	C	S	.	.			trans	-73.2	153.4	173.2	31.9	-34.5	0	0	0	111.4	R271 L290 L293 K294 R297	R271-P311 HydrophobicContact CB-CG 4.44Å; R271-P311 PolarHBondContact N-O 2.86Å; L290-P311 HydrophobicContact CD2-CG 4.27Å; L293-P311 HydrophobicContact CB-CB 3.75Å; L293-P311 HydrophobicContact CB-CG 3.68Å; K294-P311 HydrophobicContact CG-CG 4.07Å; R297-P311 HydrophobicContact CB-CB 4.25Å; R297-P311 CarbonylContact O-C 3.47Å; R297-P311 VanDerWaalsContact O-CA 3.23Å; R297-P311 WeakPolarHBondContact O-CA 3.42Å
312	L	98.7	Very high	96.4	Very high	14 Å²	14	59.8 Å²	59.8	7%	0.073	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.8	-171.5	-56.2	-171.4	0	0	0	111.4	A268 P270 R297 C299 Y307	A268-L312 HydrophobicContact CB-CB 4.04Å; A268-L312 HydrophobicContact CB-CD1 3.81Å; A268-L312 HydrophobicContact CB-CD2 4.01Å; A268-L312 HydrophobicContact CB-CG 4.17Å; P270-L312 HydrophobicContact CB-CD2 4.5Å; R297-L312 WeakPolarHBondContact CB-O 3.39Å; R297-L312 PolarHBondContact NE-O 3.35Å; R297-L312 PolarHBondContact NH2-O 2.96Å; R297-L312 VanDerWaalsContact NH2-O 3.13Å; R297-L312 PolarHBondContact O-N 2.79Å; C299-L312 HydrophobicContact CB-CD1 3.75Å; C299-L312 HydrophobicContact CB-CG 4.3Å; Y307-L312 HydrophobicContact CD1-CD2 3.41Å; Y307-L312 VanDerWaalsContact CD1-CD2 3.41Å; Y307-L312 HydrophobicContact CD2-CD1 4.25Å; Y307-L312 HydrophobicContact CD2-CD2 4.21Å; Y307-L312 HydrophobicContact CE1-CD2 3.82Å; Y307-L312 HydrophobicContact CE2-CD1 4.18Å; Y307-L312 HydrophobicContact CG-CD1 4.49Å; Y307-L312 HydrophobicContact CG-CD2 3.62Å
313	F	98.8	Very high	96.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	121.4	-180	-165.3	-126.8	0	0	0	108.7	M215 S219 L223 F236 F248 C269 R271 L293	M215-F313 HydrophobicContact CE-CD1 3.41Å; M215-F313 VanDerWaalsContact CE-CD1 3.41Å; M215-F313 HydrophobicContact CE-CE1 3.26Å; M215-F313 HydrophobicContact CE-CG 4.33Å; M215-F313 HydrophobicContact CE-CZ 4.08Å; S219-F313 VanDerWaalsContact O-CE2 3.3Å; S219-F313 WeakPolarHBondContact O-CE2 3.3Å; S219-F313 WeakPolarHBondContact O-CZ 3.46Å; L223-F313 HydrophobicContact CB-CE2 4.36Å; L223-F313 HydrophobicContact CB-CZ 4.11Å; L223-F313 HydrophobicContact CD2-CE1 4.01Å; L223-F313 HydrophobicContact CD2-CZ 3.91Å; F236-F313 AromaticContact CD1-CD1 3.49Å; F236-F313 HydrophobicContact CD1-CD1 3.49Å; F236-F313 VanDerWaalsContact CD1-CD1 3.49Å; F236-F313 AromaticContact CD1-CE1 3.81Å; F236-F313 HydrophobicContact CD1-CE1 3.81Å; F236-F313 HydrophobicContact CD2-CD1 4.26Å; F236-F313 AromaticContact CD2-CE1 3.74Å; F236-F313 HydrophobicContact CD2-CE1 3.74Å; F236-F313 AromaticContact CE1-CD1 3.62Å; F236-F313 HydrophobicContact CE1-CD1 3.62Å; F236-F313 AromaticContact CE1-CE1 3.77Å; F236-F313 HydrophobicContact CE1-CE1 3.77Å; F236-F313 HydrophobicContact CE2-CD1 4.37Å; F236-F313 AromaticContact CE2-CE1 3.7Å; F236-F313 HydrophobicContact CE2-CE1 3.7Å; F236-F313 AromaticContact CG-CD1 3.83Å; F236-F313 HydrophobicContact CG-CD1 3.83Å; F236-F313 AromaticContact CG-CE1 3.79Å; F236-F313 HydrophobicContact CG-CE1 3.79Å; F236-F313 HydrophobicContact CZ-CD1 4.07Å; F236-F313 AromaticContact CZ-CE1 3.72Å; F236-F313 HydrophobicContact CZ-CE1 3.72Å; F248-F313 HydrophobicContact CD1-CD2 4.44Å; F248-F313 AromaticContact CE1-CD2 3.75Å; F248-F313 HydrophobicContact CE1-CD2 3.75Å; F248-F313 AromaticContact CE1-CE2 3.67Å; F248-F313 HydrophobicContact CE1-CE2 3.67Å; F248-F313 HydrophobicContact CZ-CE2 4.4Å; C269-F313 WeakPolarHBondContact CB-O 3.42Å; C269-F313 PolarHBondContact O-N 2.92Å; R271-F313 HydrophobicContact CG-CB 3.79Å; R271-F313 PolarHBondContact NE-O 2.86Å; R271-F313 PolarHBondContact NH2-O 2.63Å; L293-F313 HydrophobicContact CD2-CB 4.36Å; L293-F313 HydrophobicContact CD2-CD2 4Å; L293-F313 HydrophobicContact CD2-CE2 4.45Å; L293-F313 HydrophobicContact CD2-CG 4.16Å
314	G	98.6	Very high	96.8	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	67.9	162.2	-172.1	0	0	0	0	0	114.7	I214 C269	I214-G314 WeakPolarHBondContact O-CA 3.15Å; C269-G314 VanDerWaalsContact CB-O 3.3Å; C269-G314 WeakPolarHBondContact CB-O 3.47Å; C269-G314 PolarHBondContact N-O 2.82Å
315	I	98.8	Very high	97	Very high	2 Å²	2	48 Å²	48	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.5	-166.5	-59.4	-56	0	0	0	111.9	L213 I214 E250 D251 K265 A268 Y317	L213-I315 WeakPolarHBondContact CD1-O 3.47Å; I214-I315 PolarHBondContact N-O 3Å; I214-I315 PolarHBondContact O-N 2.67Å; E250-I315 HydrophobicContact CB-CG1 4.33Å; E250-I315 HydrophobicContact CG-CG1 3.97Å; E250-I315 WeakPolarHBondContact O-CG1 3.21Å; D251-I315 WeakPolarHBondContact OD1-CD1 3.45Å; K265-I315 HydrophobicContact CB-CG2 4.35Å; K265-I315 HydrophobicContact CD-CG2 4.05Å; K265-I315 HydrophobicContact CG-CG2 3.7Å; A268-I315 HydrophobicContact CB-CD1 3.72Å; I315-Y317 HydrophobicContact CB-CD2 4.4Å; I315-Y317 HydrophobicContact CB-CE2 3.69Å; I315-Y317 HydrophobicContact CG2-CD2 3.95Å; I315-Y317 HydrophobicContact CG2-CE2 3.38Å; I315-Y317 WeakPolarHBondContact O-CD2 3.2Å
316	Y	98.7	Very high	97.4	Very high	27 Å²	27	45.6 Å²	45.6	11%	0.106	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	139	174.1	-76.1	-54.8	0	0	0	112.1	C209 C210 L212 L213 I266 M267 C269	C209-Y316 WeakPolarHBondContact SG-CE2 3.41Å; C210-Y316 HydrophobicContact CB-CD1 3.67Å; C210-Y316 HydrophobicContact CB-CE1 4.4Å; C210-Y316 HydrophobicContact CB-CG 3.82Å; C210-Y316 VanDerWaalsContact SG-CB 3.55Å; L212-Y316 WeakPolarHBondContact O-CA 3.37Å; L212-Y316 WeakPolarHBondContact O-CD1 3.45Å; L213-Y316 HydrophobicContact CB-CD1 4.02Å; L213-Y316 HydrophobicContact CB-CE1 4.02Å; L213-Y316 HydrophobicContact CD1-CD1 4.1Å; L213-Y316 HydrophobicContact CD1-CE1 4.21Å; L213-Y316 HydrophobicContact CG-CE1 4.48Å; I266-Y316 PolarHBondContact N-O 3.36Å; M267-Y316 HydrophobicContact CG-CD2 4.04Å; M267-Y316 PolarHBondContact O-N 2.83Å; C269-Y316 HydrophobicContact CB-CD2 3.99Å; C269-Y316 HydrophobicContact CB-CE2 3.77Å; C269-Y316 VanDerWaalsContact SG-CE2 3.54Å; C269-Y316 PolarHBondContact SG-OH 3.4Å; C269-Y316 VanDerWaalsContact SG-OH 3.35Å
317	Y	98.5	Very high	97.7	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	145.4	-177.4	-72.8	-99	0	0	0	113.7	P211 L212 I214 W253 L256 V263 K264 K265 I315	P211-Y317 WeakPolarHBondContact CD-O 3.26Å; L212-Y317 PolarHBondContact N-O 2.71Å; L212-Y317 PolarHBondContact O-N 2.81Å; I214-Y317 HydrophobicContact CB-CD2 3.99Å; I214-Y317 HydrophobicContact CB-CE2 3.79Å; I214-Y317 HydrophobicContact CD1-CD2 3.55Å; I214-Y317 HydrophobicContact CD1-CE2 3.7Å; I214-Y317 HydrophobicContact CD1-CG 4.01Å; I214-Y317 HydrophobicContact CG1-CD2 3.57Å; I214-Y317 HydrophobicContact CG1-CE2 3.83Å; I214-Y317 HydrophobicContact CG1-CG 4.39Å; W253-Y317 WeakPolarHBondContact CB-OH 3.43Å; W253-Y317 PolarHBondContact O-OH 3.38Å; L256-Y317 HydrophobicContact CD1-CE1 3.96Å; L256-Y317 HydrophobicContact CG-CE1 4.19Å; V263-Y317 HydrophobicContact CB-CD1 3.97Å; V263-Y317 HydrophobicContact CB-CG 4.36Å; V263-Y317 HydrophobicContact CG2-CD1 3.62Å; V263-Y317 HydrophobicContact CG2-CE1 4.18Å; V263-Y317 HydrophobicContact CG2-CG 4.16Å; K264-Y317 CarbonylContact O-C 3.52Å; K264-Y317 VanDerWaalsContact O-CA 3.23Å; K264-Y317 WeakPolarHBondContact O-CA 3.48Å; K264-Y317 WeakPolarHBondContact O-CD1 3.34Å; K265-Y317 HydrophobicContact CB-CD1 4.37Å; K265-Y317 HydrophobicContact CB-CE1 3.94Å; I315-Y317 HydrophobicContact CB-CD2 4.4Å; I315-Y317 HydrophobicContact CB-CE2 3.69Å; I315-Y317 HydrophobicContact CG2-CD2 3.95Å; I315-Y317 HydrophobicContact CG2-CE2 3.38Å; I315-Y317 WeakPolarHBondContact O-CD2 3.2Å
318	S	97.3	Very high	97.9	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	165	160.9	59.2	0	0	0	0	110.3	V263 K264 I266 E320	V263-S318 VanDerWaalsContact CA-O 3.25Å; V263-S318 WeakPolarHBondContact CA-O 3.32Å; V263-S318 VanDerWaalsContact CB-O 3.24Å; V263-S318 WeakPolarHBondContact CB-O 3.2Å; K264-S318 PolarHBondContact N-O 2.93Å; K264-S318 VanDerWaalsContact N-O 3.15Å; K264-S318 PolarHBondContact O-N 2.91Å; K264-S318 PolarHBondContact O-OG 3.41Å; I266-S318 VanDerWaalsContact CD1-N 3.29Å; S318-E320 WeakPolarHBondContact CB-OE1 3.2Å; S318-E320 PolarHBondContact OG-OE1 2.9Å
319	V	97.6	Very high	98.1	Very high	22 Å²	22	41.6 Å²	41.6	13%	0.133	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	104.1	177.3	-176.3	0	0	0	0	108.1	C78 P211 L212 V261 I322	C78-V319 WeakPolarHBondContact SG-CG2 3.48Å; P211-V319 HydrophobicContact CB-CG2 4.12Å; L212-V319 HydrophobicContact CD1-CG2 3.97Å; L212-V319 HydrophobicContact CG-CG2 4.27Å; V261-V319 HydrophobicContact CG1-CG1 4.35Å; V319-I322 HydrophobicContact CG1-CG2 4.17Å
320	E	96.3	Very high	98.3	Very high	112 Å²	112	39.1 Å²	39.1	52%	0.523	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-31.1	-179	-57.5	-54.7	122.5	0	0	111.2	E262 K264 S318	E262-E320 HydrophobicContact CB-CB 4.45Å; E262-E320 PolarHBondContact O-N 3.31Å; K264-E320 HydrophobicContact CB-CG 3.6Å; S318-E320 WeakPolarHBondContact CB-OE1 3.2Å; S318-E320 PolarHBondContact OG-OE1 2.9Å
321	K	97.5	Very high	98.4	Very high	90 Å²	90	37.3 Å²	37.3	39%	0.391	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	118.7	176	-178	-174.3	168.9	-158	0	110.1	S260 V261 E262	S260-K321 WeakPolarHBondContact O-CE 3.32Å; S260-K321 PolarHBondContact O-NZ 3.3Å; V261-K321 WeakPolarHBondContact CA-O 3.42Å; V261-K321 WeakPolarHBondContact CG1-O 3.47Å; E262-K321 HydrophobicContact CB-CB 3.78Å; E262-K321 HydrophobicContact CB-CD 4.46Å; E262-K321 HydrophobicContact CG-CB 4.22Å; E262-K321 HydrophobicContact CG-CD 4Å; E262-K321 PolarHBondContact N-O 2.82Å; E262-K321 PolarHBondContact O-N 3.34Å; E262-K321 WeakPolarHBondContact OE1-CD 3.28Å; E262-K321 IonicContact OE1-NZ 2.99Å; E262-K321 PolarHBondContact OE1-NZ 3.42Å
322	I	98.4	Very high	98.4	Very high	116 Å²	116	40.7 Å²	40.7	60%	0.595	22%	0.218	S	C	*	.			trans	-67.4	153.4	172.7	63.8	173.3	0	0	0	111.1	C78 A80 V319	C78-I322 WeakPolarHBondContact O-CA 3.27Å; C78-I322 WeakPolarHBondContact O-CB 3.27Å; A80-I322 HydrophobicContact CB-CG2 4.49Å; V319-I322 HydrophobicContact CG1-CG2 4.17Å
323	G	98.3	Very high	98.3	Very high	18 Å²	18	43.3 Å²	43.3	19%	0.186	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.3	-160.7	-179.8	0	0	0	0	0	110.6	E77 C78 V261	E77-G323 CarbonylContact C-O 3.56Å; E77-G323 WeakPolarHBondContact CA-O 3.47Å; C78-G323 PolarHBondContact N-O 2.84Å; C78-G323 PolarHBondContact O-N 2.95Å; V261-G323 VanDerWaalsContact CG2-C 3.5Å
324	S	98.4	Very high	98	Very high	61 Å²	61	44.4 Å²	44.4	43%	0.427	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	149	176.2	-53.9	0	0	0	0	111.8	A76 S260	A76-S324 WeakPolarHBondContact O-CA 3.31Å; S260-S324 PolarHBondContact N-O 3.45Å; S260-S324 VanDerWaalsContact N-O 3.11Å; S260-S324 PolarHBondContact OG-N 3.49Å; S260-S324 PolarHBondContact OG-O 2.9Å
325	L	98.6	Very high	97.4	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.016	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	158.4	170	68.2	153.3	0	0	0	111	V57 L60 E75 A76 C78 L83 I240 I258 V261 D329	V57-L325 HydrophobicContact CG2-CD1 4.49Å; L60-L325 HydrophobicContact CD1-CD1 4.42Å; L60-L325 HydrophobicContact CD1-CG 4.28Å; L60-L325 HydrophobicContact CD2-CD1 3.64Å; L60-L325 HydrophobicContact CD2-CG 4.32Å; E75-L325 WeakPolarHBondContact CA-O 3.46Å; A76-L325 PolarHBondContact N-O 2.97Å; A76-L325 PolarHBondContact O-N 3.39Å; C78-L325 HydrophobicContact CB-CD2 3.86Å; L83-L325 HydrophobicContact CD2-CD2 4.01Å; I240-L325 HydrophobicContact CD1-CD1 3.68Å; I240-L325 HydrophobicContact CG1-CD1 4.23Å; I258-L325 HydrophobicContact CB-CD1 4.5Å; I258-L325 HydrophobicContact CG2-CB 4.02Å; I258-L325 HydrophobicContact CG2-CD1 3.82Å; V261-L325 HydrophobicContact CG2-CD2 3.9Å; L325-D329 WeakPolarHBondContact CA-OD2 3.46Å
326	R	98.8	Very high	97.4	Very high	134 Å²	134	52.3 Å²	52.3	51%	0.506	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	160.5	179	59.9	-172.4	63.4	-161.3	-13.9	112.3	V57 S74 E75 G328 D329	V57-R326 WeakPolarHBondContact CB-O 3.31Å; S74-R326 CarbonylContact O-C 3.46Å; S74-R326 VanDerWaalsContact O-CA 3.29Å; S74-R326 WeakPolarHBondContact O-CA 3.18Å; S74-R326 WeakPolarHBondContact O-CB 3.36Å; E75-R326 HydrophobicContact CB-CB 4.02Å; E75-R326 IonicContact OE2-NH2 3.43Å; E75-R326 PolarHBondContact OE2-NH2 3.44Å; R326-G328 PolarHBondContact O-N 3.27Å; R326-D329 HydrophobicContact CG-CB 4.46Å; R326-D329 VanDerWaalsContact CG-CG 3.45Å; R326-D329 VanDerWaalsContact CG-OD1 3.24Å; R326-D329 WeakPolarHBondContact CG-OD1 3.36Å; R326-D329 PolarHBondContact N-OD2 3.29Å; R326-D329 WeakPolarHBondContact O-CB 3.37Å; R326-D329 PolarHBondContact O-N 3.47Å; R326-D329 VanDerWaalsContact O-N 3.1Å
327	V	98.9	Very high	97.3	Very high	62 Å²	62	53.6 Å²	53.6	38%	0.376	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	134.1	163.9	175.9	0	0	0	0	108.6	V57 A58 L60 S74	V57-V327 HydrophobicContact CG1-CG2 4.44Å; A58-V327 WeakPolarHBondContact O-CG1 3.41Å; L60-V327 HydrophobicContact CD1-CG2 4.45Å; L60-V327 HydrophobicContact CG-CG2 4.16Å; S74-V327 PolarHBondContact O-N 3.01Å
328	G	98.8	Very high	97.2	Very high	50 Å²	50	56.6 Å²	56.6	52%	0.515	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	-7.8	-171.9	0	0	0	0	0	115.2	V57 R326	V57-G328 PolarHBondContact O-N 3.06Å; R326-G328 PolarHBondContact O-N 3.27Å
329	D	98.8	Very high	97.2	Very high	26 Å²	26	59.8 Å²	59.8	14%	0.139	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-65.5	136	173.2	-83.3	-20.2	0	0	0	110.9	T56 V57 I258 G259 L325 R326	T56-D329 CarbonylContact C-O 3.54Å; T56-D329 WeakPolarHBondContact CA-O 3.29Å; V57-D329 HydrophobicContact CG2-CB 4.13Å; V57-D329 PolarHBondContact N-O 3.5Å; I258-D329 HydrophobicContact CG2-CB 4.18Å; G259-D329 WeakPolarHBondContact CA-OD2 3.38Å; L325-D329 WeakPolarHBondContact CA-OD2 3.46Å; R326-D329 HydrophobicContact CG-CB 4.46Å; R326-D329 VanDerWaalsContact CG-CG 3.45Å; R326-D329 VanDerWaalsContact CG-OD1 3.24Å; R326-D329 WeakPolarHBondContact CG-OD1 3.36Å; R326-D329 PolarHBondContact N-OD2 3.29Å; R326-D329 WeakPolarHBondContact O-CB 3.37Å; R326-D329 PolarHBondContact O-N 3.47Å; R326-D329 VanDerWaalsContact O-N 3.1Å
330	P	98.8	Very high	97.2	Very high	41 Å²	41	62.1 Å²	62.1	27%	0.266	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	140.8	169.1	28.7	-35.2	0	0	0	110.6	Q53 Y332	Q53-P330 HydrophobicContact CG-CB 4.28Å; P330-Y332 HydrophobicContact CB-CD2 4.45Å; P330-Y332 HydrophobicContact CB-CE2 3.77Å; P330-Y332 HydrophobicContact CG-CD2 4.44Å; P330-Y332 HydrophobicContact CG-CE2 3.52Å
331	V	98.8	Very high	97.3	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	117.7	174.1	178.7	0	0	0	0	107.9	Q53 V54 G55 V57 V242 L256 I258	Q53-V331 WeakPolarHBondContact CA-O 3.35Å; V54-V331 HydrophobicContact CG2-CB 4.41Å; V54-V331 HydrophobicContact CG2-CG1 3.82Å; V54-V331 PolarHBondContact N-O 2.91Å; G55-V331 PolarHBondContact O-N 3.23Å; V57-V331 HydrophobicContact CG2-CG2 3.92Å; V242-V331 HydrophobicContact CG1-CB 4.26Å; V242-V331 HydrophobicContact CG1-CG2 3.9Å; V242-V331 HydrophobicContact CG2-CG2 3.94Å; L256-V331 HydrophobicContact CD1-CG1 4.16Å; L256-V331 HydrophobicContact CD2-CG1 3.9Å; I258-V331 HydrophobicContact CD1-CG1 4.16Å; I258-V331 HydrophobicContact CD1-CG2 4.11Å; I258-V331 HydrophobicContact CG1-CB 4.46Å; I258-V331 HydrophobicContact CG1-CG1 4.09Å; I258-V331 HydrophobicContact CG1-CG2 4.16Å; I258-V331 HydrophobicContact CG2-CG2 4.31Å
332	Y	98.6	Very high	97.3	Very high	73 Å²	73	56.6 Å²	56.6	29%	0.286	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125	177.6	-61.7	-79.2	0	0	0	111.3	L51 Q52 Q53 L256 L257 P330	L51-Y332 HydrophobicContact CB-CD1 3.95Å; L51-Y332 HydrophobicContact CB-CG 4.16Å; Q52-Y332 CarbonylContact O-C 3.47Å; Q52-Y332 VanDerWaalsContact O-CA 3.26Å; Q52-Y332 WeakPolarHBondContact O-CA 3.44Å; Q53-Y332 HydrophobicContact CB-CD1 3.9Å; Q53-Y332 HydrophobicContact CB-CE1 3.8Å; Q53-Y332 HydrophobicContact CG-CE1 4.34Å; L256-Y332 CarbonylContact C-O 3.55Å; L256-Y332 VanDerWaalsContact CA-O 3.28Å; L256-Y332 WeakPolarHBondContact CA-O 3.31Å; L257-Y332 HydrophobicContact CD2-CD2 4.48Å; L257-Y332 PolarHBondContact N-O 3.37Å; L257-Y332 PolarHBondContact O-N 3.44Å; P330-Y332 HydrophobicContact CB-CD2 4.45Å; P330-Y332 HydrophobicContact CB-CE2 3.77Å; P330-Y332 HydrophobicContact CG-CD2 4.44Å; P330-Y332 HydrophobicContact CG-CE2 3.52Å
333	R	97.1	Very high	97.2	Very high	70 Å²	70	52 Å²	52	26%	0.264	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	135.6	161.6	-177	-178.4	179.6	174.6	4.9	109.4	Q52 V54 T252 D254 L256 V335	Q52-R333 PolarHBondContact N-O 2.85Å; Q52-R333 PolarHBondContact O-N 2.96Å; V54-R333 HydrophobicContact CG1-CB 3.67Å; V54-R333 HydrophobicContact CG2-CB 4.17Å; T252-R333 PolarHBondContact O-NE 3.17Å; T252-R333 PolarHBondContact O-NH1 3Å; T252-R333 PolarHBondContact O-NH2 3.42Å; D254-R333 IonicContact OD2-NH2 3.57Å; L256-R333 HydrophobicContact CD2-CB 4.29Å; R333-V335 HydrophobicContact CG-CG2 4.09Å
334	M	93.8	Very high	97.1	Very high	23 Å²	23	54.8 Å²	54.8	11%	0.113	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	125	173.4	-57.9	-162.8	-79.6	0	0	109.7	R49 L51 E255 L257 E262	R49-M334 VanDerWaalsContact CD-SD 3.57Å; L51-M334 HydrophobicContact CD2-CG 3.83Å; L51-M334 HydrophobicContact CD2-SD 4.45Å; E255-M334 HydrophobicContact CB-CB 4.05Å; E255-M334 HydrophobicContact CB-CE 3.79Å; E255-M334 PolarHBondContact O-N 3.22Å; L257-M334 HydrophobicContact CB-CG 4.42Å; L257-M334 HydrophobicContact CB-SD 4.23Å; E262-M334 HydrophobicContact CB-CE 4.1Å; E262-M334 HydrophobicContact CG-CE 4.05Å; E262-M334 HydrophobicContact CG-SD 4.42Å
335	V	85.9	Confident	97	Very high	115 Å²	115	54.3 Å²	54.3	70%	0.697	29%	0.289	S	S	*	.			trans	-126.8	0	-174.4	-170.6	0	0	0	0	111	R50 R333	R50-V335 HydrophobicContact CB-CB 4.22Å; R50-V335 WeakPolarHBondContact CB-O 3.44Å; R50-V335 PolarHBondContact N-O 3.19Å; R50-V335 PolarHBondContact O-N 3.15Å; R333-V335 HydrophobicContact CG-CG2 4.09Å

Retrieved 335 of 335 residues in 62.9 ms (Link to these results)

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