A0A087Y046_POEFO Loading...

EGF domain-specific O-linked N-acetylglucosamine transferase

Catalyzes the transfer of a single N-acetylglucosamine from UDP-GlcNAc to a serine or threonine residue in extracellular proteins resulting in their modification with a beta-linked N-acetylglucosamine (O-GlcNAc). Specifically glycosylates the Thr residue located between the fifth and sixth conserved cysteines of folded EGF-like domains.

AlphaFold DB , UniProt , Accession A0A087Y046, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 571 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	25.4	Very low	24	Very low	222 Å²	222	117.6 Å²	117.6	100%	1.094	64%	0.638	S	S	*	*				0	-21.2	0	-137.1	162.5	85.6	0	0	114.1
2	L	20.8	Very low	24.3	Very low	149 Å²	149	115.2 Å²	115.2	78%	0.78	63%	0.629	S	S	*	*			trans	-82.8	-27.8	179.8	-81.7	152	0	0	0	115.4	L4	L2-L4 PolarHBondContact O-N 3.16Å
3	L	21.6	Very low	24.6	Very low	154 Å²	154	118.5 Å²	118.5	81%	0.806	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-6	178.9	-91.7	83.9	0	0	0	115.7
4	L	22.9	Very low	25.3	Very low	127 Å²	127	114.1 Å²	114.1	67%	0.665	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-17.8	-177.1	-92	151.1	0	0	0	113.6	L2	L2-L4 PolarHBondContact O-N 3.16Å
5	C	21.2	Very low	25.9	Very low	78 Å²	78	111.7 Å²	111.7	53%	0.527	60%	0.599	S	S	.	*	H	α-helix	trans	-76.9	-39.9	177.6	-71.9	0	0	0	0	112.6	V7 L8 L9	C5-V7 VanDerWaalsContact C-N 3.3Å; C5-V7 PolarHBondContact O-N 2.93Å; C5-L8 PolarHBondContact O-N 3.14Å; C5-L8 VanDerWaalsContact O-N 3.1Å; C5-L9 PolarHBondContact O-N 3.1Å
6	D	23.2	Very low	26.5	Very low	115 Å²	115	115.3 Å²	115.3	62%	0.615	60%	0.601	S	S	*	*	H	α-helix	trans	-66.4	-32.1	-176.4	-61.6	-32	0	0	0	112.7	L8 S10	D6-L8 VanDerWaalsContact C-N 3.34Å; D6-S10 PolarHBondContact O-N 2.89Å
7	V	26	Very low	27.2	Very low	88 Å²	88	110.7 Å²	110.7	53%	0.533	58%	0.581	S	S	.	*	H	α-helix	trans	-70.6	-30.9	175.4	-176.9	0	0	0	0	111.7	C5	C5-V7 VanDerWaalsContact C-N 3.3Å; C5-V7 PolarHBondContact O-N 2.93Å
8	L	23.8	Very low	27.9	Very low	118 Å²	118	111.8 Å²	111.8	62%	0.618	58%	0.58	S	S	*	*	H	α-helix	trans	-76.6	-35.7	176.8	-95.4	154.3	0	0	0	112.3	C5 D6 L11 T12	C5-L8 PolarHBondContact O-N 3.14Å; C5-L8 VanDerWaalsContact O-N 3.1Å; D6-L8 VanDerWaalsContact C-N 3.34Å; L8-L11 PolarHBondContact O-N 3.29Å; L8-T12 PolarHBondContact O-N 3.22Å; L8-T12 PolarHBondContact O-OG1 3.39Å
9	L	24	Very low	28.2	Very low	112 Å²	112	110 Å²	110	59%	0.586	58%	0.578	S	S	*	*	H	α-helix	trans	-65.7	-36.6	172.7	-85.4	154.7	0	0	0	112.7	C5 L11 T12	C5-L9 PolarHBondContact O-N 3.1Å; L9-L11 VanDerWaalsContact C-N 3.31Å; L9-L11 PolarHBondContact O-N 2.67Å; L9-T12 PolarHBondContact O-N 3.09Å; L9-T12 PolarHBondContact O-OG1 3.06Å; L9-T12 VanDerWaalsContact O-OG1 3.08Å
10	S	27.9	Very low	28.6	Very low	59 Å²	59	107.7 Å²	107.7	41%	0.413	56%	0.564	S	S	.	*	H	α-helix	trans	-62.6	-36	174.1	177.4	0	0	0	0	112.9	D6 I14	D6-S10 PolarHBondContact O-N 2.89Å; S10-I14 VanDerWaalsContact O-CD1 3.31Å; S10-I14 WeakPolarHBondContact O-CD1 3.39Å; S10-I14 VanDerWaalsContact O-CG1 3.29Å; S10-I14 WeakPolarHBondContact O-CG1 3.45Å
11	L	27.6	Very low	28.5	Very low	72 Å²	72	106.5 Å²	106.5	38%	0.377	56%	0.564	S	S	.	*	H	α-helix	trans	-74.1	-27.3	-177.9	-83.9	161.3	0	0	0	113.7	L8 L9 I15	L8-L11 PolarHBondContact O-N 3.29Å; L9-L11 VanDerWaalsContact C-N 3.31Å; L9-L11 PolarHBondContact O-N 2.67Å; L11-I15 VanDerWaalsContact O-CD1 3.28Å; L11-I15 WeakPolarHBondContact O-CD1 3.45Å; L11-I15 VanDerWaalsContact O-CG1 3.31Å; L11-I15 WeakPolarHBondContact O-CG1 3.48Å
12	T	27.1	Very low	28.5	Very low	88 Å²	88	102 Å²	102	54%	0.54	55%	0.549	S	S	.	.	H	α-helix	trans	-78.6	-29.8	178.2	33.9	0	0	0	0	113.6	L8 L9	L8-T12 PolarHBondContact O-N 3.22Å; L8-T12 PolarHBondContact O-OG1 3.39Å; L9-T12 PolarHBondContact O-N 3.09Å; L9-T12 PolarHBondContact O-OG1 3.06Å; L9-T12 VanDerWaalsContact O-OG1 3.08Å
13	E	28.8	Very low	28.6	Very low	159 Å²	159	103 Å²	103	74%	0.743	55%	0.547	S	S	*	.	H	α-helix	trans	-72.5	-36.4	173.7	-66.5	-159.8	143.8	0	0	112.6	I15	E13-I15 PolarHBondContact O-N 2.69Å
14	I	34	Very low	28.7	Very low	57 Å²	57	100.2 Å²	100.2	29%	0.292	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-15.6	178.4	-68.9	168.9	0	0	0	112.6	S10 N373	S10-I14 VanDerWaalsContact O-CD1 3.31Å; S10-I14 WeakPolarHBondContact O-CD1 3.39Å; S10-I14 VanDerWaalsContact O-CG1 3.29Å; S10-I14 WeakPolarHBondContact O-CG1 3.45Å; I14-N373 HydrophobicContact CG2-CB 4.03Å; I14-N373 WeakPolarHBondContact CG2-OD1 3.08Å
15	I	33.8	Very low	28.7	Very low	77 Å²	77	101.9 Å²	101.9	40%	0.395	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-10	-170.9	-77.5	175.1	0	0	0	114.5	L11 E13 C17 K18	L11-I15 VanDerWaalsContact O-CD1 3.28Å; L11-I15 WeakPolarHBondContact O-CD1 3.45Å; L11-I15 VanDerWaalsContact O-CG1 3.31Å; L11-I15 WeakPolarHBondContact O-CG1 3.48Å; E13-I15 PolarHBondContact O-N 2.69Å; I15-C17 VanDerWaalsContact C-N 3.28Å; I15-C17 PolarHBondContact O-N 2.85Å; I15-C17 VanDerWaalsContact O-N 3.17Å; I15-K18 HydrophobicContact CG2-CD 3.9Å; I15-K18 HydrophobicContact CG2-CG 4.41Å; I15-K18 WeakPolarHBondContact O-CG 3.4Å; I15-K18 PolarHBondContact O-N 3.09Å; I15-K18 VanDerWaalsContact O-N 3.17Å
16	R	35.3	Very low	28.8	Very low	169 Å²	169	105.1 Å²	105.1	64%	0.638	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-15.1	-171.6	-76.1	-170.4	175.6	-168.9	1.9	116.7	K18	R16-K18 VanDerWaalsContact C-N 3.28Å; R16-K18 PolarHBondContact O-N 2.76Å
17	C	39.4	Very low	29	Very low	38 Å²	38	106 Å²	106	26%	0.257	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.2	20.6	173.6	-148.8	0	0	0	0	113.6	I15 Y291 Y372	I15-C17 VanDerWaalsContact C-N 3.28Å; I15-C17 PolarHBondContact O-N 2.85Å; I15-C17 VanDerWaalsContact O-N 3.17Å; C17-Y291 WeakPolarHBondContact SG-CE1 3.41Å; C17-Y372 HydrophobicContact CB-CE1 4.18Å
18	K	39.7	Very low	28.9	Very low	130 Å²	130	110.6 Å²	110.6	57%	0.565	58%	0.583	S	S	*	*			trans	-78.9	131.2	164.8	-71.3	-173.2	-170.5	171.9	0	109.5	I15 R16	I15-K18 HydrophobicContact CG2-CD 3.9Å; I15-K18 HydrophobicContact CG2-CG 4.41Å; I15-K18 WeakPolarHBondContact O-CG 3.4Å; I15-K18 PolarHBondContact O-N 3.09Å; I15-K18 VanDerWaalsContact O-N 3.17Å; R16-K18 VanDerWaalsContact C-N 3.28Å; R16-K18 PolarHBondContact O-N 2.76Å
19	S	33.2	Very low	28.9	Very low	78 Å²	78	116.4 Å²	116.4	55%	0.545	60%	0.597	S	S	.	*			trans	30.1	118.7	154	54.7	0	0	0	0	117.3
20	E	36.3	Very low	28.9	Very low	63 Å²	63	115.9 Å²	115.9	29%	0.294	61%	0.608	S	S	.	*				-142.5	125.3	63.9	-68.1	109.1	-173.4	0	0	115.4	H526 L529 F535	E20-H526 VanDerWaalsContact CD-NE2 3.28Å; E20-H526 IonicContact OE1-CE1 2.74Å; E20-H526 PolarHBondContact OE1-CE1 3.2Å; E20-H526 IonicContact OE1-ND1 2.77Å; E20-H526 IonicContact OE1-NE2 3.2Å; E20-H526 PolarHBondContact OE1-NE2 3Å; E20-H526 IonicContact OE2-CD2 2.58Å; E20-H526 IonicContact OE2-CE1 3.64Å; E20-H526 IonicContact OE2-NE2 2.98Å; E20-L529 WeakPolarHBondContact OE1-CD1 3.35Å; E20-F535 HydrophobicContact CB-CZ 4Å; E20-F535 WeakPolarHBondContact OE2-CE2 3.39Å
21	C	26.4	Very low	28.8	Very low	84 Å²	84	119.2 Å²	119.2	57%	0.568	63%	0.626	S	S	*	*			trans	-147.3	43.4	146.7	-86.4	0	0	0	0	108.7	F23	C21-F23 PolarHBondContact O-N 3.41Å
22	V	25.7	Very low	28.6	Very low	126 Å²	126	123.5 Å²	123.5	76%	0.764	65%	0.649	S	S	*	*			trans	-90.6	96.5	169	-178.8	0	0	0	0	106.7
23	F	23	Very low	28.7	Very low	171 Å²	171	125.8 Å²	125.8	75%	0.75	66%	0.664	S	S	*	*			trans	-63.4	132.1	162.9	-97.9	-87.5	0	0	0	108.1	C21 I25	C21-F23 PolarHBondContact O-N 3.41Å; F23-I25 PolarHBondContact O-N 3.01Å
24	P	22.9	Very low	28.4	Very low	96 Å²	96	121.7 Å²	121.7	62%	0.623	66%	0.664	S	S	*	*			trans	-63.2	120.7	167	27.1	-31.7	0	0	0	107.8	L26	P24-L26 VanDerWaalsContact C-N 3.26Å; P24-L26 PolarHBondContact O-N 3.22Å
25	I	22.8	Very low	28	Very low	162 Å²	162	124.6 Å²	124.6	83%	0.831	69%	0.689	S	S	*	*			trans	-69.1	92.2	170.4	-61	174.7	0	0	0	106.6	F23 T27	F23-I25 PolarHBondContact O-N 3.01Å; I25-T27 PolarHBondContact O-N 3.25Å
26	L	23.7	Very low	27.5	Very low	146 Å²	146	132 Å²	132	76%	0.764	71%	0.712	S	S	*	*			trans	-63.8	121.6	171.9	-80.8	166.7	0	0	0	108.6	P24 E28	P24-L26 VanDerWaalsContact C-N 3.26Å; P24-L26 PolarHBondContact O-N 3.22Å; L26-E28 VanDerWaalsContact C-N 3.32Å; L26-E28 PolarHBondContact O-N 3.16Å
27	T	26.8	Very low	26.9	Very low	133 Å²	133	133.5 Å²	133.5	82%	0.816	72%	0.724	S	S	*	*			trans	-78.3	77.7	-179.8	36.7	0	0	0	0	110.6	I25 R29	I25-T27 PolarHBondContact O-N 3.25Å; T27-R29 PolarHBondContact O-N 2.75Å; T27-R29 VanDerWaalsContact O-N 3.13Å
28	E	24.3	Very low	26.2	Very low	185 Å²	185	138.6 Å²	138.6	86%	0.864	75%	0.747	S	S	*	*			trans	-69.4	109.8	171.9	-76.4	-164.6	145.4	0	0	111.3	L26 A30	L26-E28 VanDerWaalsContact C-N 3.32Å; L26-E28 PolarHBondContact O-N 3.16Å; E28-A30 PolarHBondContact O-N 3.21Å
29	R	24.9	Very low	25.3	Very low	239 Å²	239	138.3 Å²	138.3	90%	0.902	76%	0.76	S	S	*	*			trans	-67.5	94.6	165.9	-73.4	176.6	169.4	175.6	-3.6	109.5	T27 V31	T27-R29 PolarHBondContact O-N 2.75Å; T27-R29 VanDerWaalsContact O-N 3.13Å; R29-V31 PolarHBondContact O-N 3.19Å
30	A	24.2	Very low	24.8	Very low	101 Å²	101	142.3 Å²	142.3	84%	0.835	77%	0.774	S	S	*	*			trans	-68.7	118.2	167.8	0	0	0	0	0	110.4	E28	E28-A30 PolarHBondContact O-N 3.21Å
31	V	25.4	Very low	24.5	Very low	130 Å²	130	144.4 Å²	144.4	79%	0.788	79%	0.793	S	S	*	*			trans	-77.8	134	179.3	171	0	0	0	0	110.5	R29 T33	R29-V31 PolarHBondContact O-N 3.19Å; V31-T33 PolarHBondContact O-N 3.26Å
32	N	23.6	Very low	24.6	Very low	161 Å²	161	146.7 Å²	146.7	86%	0.861	80%	0.804	S	S	*	*			trans	-56.1	115.8	172.4	-100.3	-27.4	0	0	0	112
33	T	27.4	Very low	24.5	Very low	137 Å²	137	148 Å²	148	84%	0.84	81%	0.806	S	S	*	*			trans	-137.3	121.3	147.1	44.4	0	0	0	0	108.7	V31	V31-T33 PolarHBondContact O-N 3.26Å
34	G	23.9	Very low	24.7	Very low	73 Å²	73	146.2 Å²	146.2	75%	0.753	80%	0.804	S	S	*	*			trans	-88.4	151.5	-174.5	0	0	0	0	0	112.9
35	S	24.9	Very low	24.9	Very low	117 Å²	117	146.9 Å²	146.9	82%	0.818	81%	0.806	S	S	*	*			trans	-146.1	132.9	155.8	-81.1	0	0	0	0	109.4
36	R	23.2	Very low	25	Very low	234 Å²	234	148.1 Å²	148.1	88%	0.883	81%	0.811	S	S	*	*			trans	-82.8	136.5	-171.8	-64.3	172.5	173.6	177.3	-3.7	110.3
37	F	23.4	Very low	25.2	Very low	200 Å²	200	147.7 Å²	147.7	88%	0.877	81%	0.809	S	S	*	*			trans	-113.3	132.7	156.6	-81.3	-84.2	0	0	0	109.5
38	I	23.3	Very low	25.2	Very low	144 Å²	144	148.4 Å²	148.4	74%	0.738	81%	0.806	S	S	*	*			trans	-109.5	130.6	177.1	-63	170.4	0	0	0	106.7
39	C	22	Very low	25.4	Very low	124 Å²	124	147.3 Å²	147.3	84%	0.838	81%	0.806	S	S	*	*			trans	-129.4	133.5	167	-80	0	0	0	0	109
40	L	22.7	Very low	25.7	Very low	163 Å²	163	141.9 Å²	141.9	85%	0.853	80%	0.799	S	S	*	*			trans	-124.6	159.8	167.4	-113.2	88.8	0	0	0	109.3
41	P	30.3	Very low	25.9	Very low	106 Å²	106	141.1 Å²	141.1	69%	0.688	79%	0.792	S	S	*	*			trans	-105.1	158.3	-154.8	39.1	-36.6	0	0	0	116.9
42	V	27.3	Very low	26.1	Very low	132 Å²	132	143.1 Å²	143.1	80%	0.8	80%	0.798	S	S	*	*			trans	19.8	124.1	140.7	-171.3	0	0	0	0	119.9
43	L	25.4	Very low	26.3	Very low	154 Å²	154	139 Å²	139	81%	0.806	79%	0.793	S	S	*	*			trans	178.6	160.4	142.2	-116.9	72.5	0	0	0	108
44	L	25.5	Very low	26.5	Very low	133 Å²	133	139.7 Å²	139.7	70%	0.696	79%	0.79	S	S	*	*			cis	-161.8	159.7	-12.7	-165.8	63.1	0	0	0	110.2
45	T	26.9	Very low	26.8	Very low	110 Å²	110	141.2 Å²	141.2	68%	0.675	79%	0.785	S	S	*	*			trans	64.1	136.3	151.1	33.5	0	0	0	0	123.6
46	M	26.8	Very low	27	Very low	188 Å²	188	145.1 Å²	145.1	93%	0.926	79%	0.787	S	S	*	*			trans	-155.1	144.9	134.3	-107.3	-68.3	161.6	0	0	110.1
47	L	27.1	Very low	27.3	Very low	138 Å²	138	141.7 Å²	141.7	72%	0.723	79%	0.785	S	S	*	*			trans	-149.7	143.6	-171.6	-110.3	164.5	0	0	0	112.1
48	L	26.6	Very low	27.9	Very low	147 Å²	147	137.5 Å²	137.5	77%	0.77	78%	0.778	S	S	*	*			trans	67.6	133.3	152.9	-83.3	159.1	0	0	0	122.9
49	L	28.1	Very low	28.8	Very low	162 Å²	162	136.1 Å²	136.1	85%	0.848	78%	0.779	S	S	*	*			trans	-170.6	110.2	140.9	-95.2	161.4	0	0	0	106.6
50	V	31.4	Very low	29.1	Very low	126 Å²	126	134.9 Å²	134.9	76%	0.764	78%	0.777	S	S	*	*				63.6	133.4	84.3	-179.6	0	0	0	0	115.3
51	A	28.4	Very low	29.3	Very low	84 Å²	84	131.5 Å²	131.5	69%	0.694	77%	0.773	S	S	*	*			cis	178	177.3	-48.2	0	0	0	0	0	111.1
52	L	30.9	Very low	29.4	Very low	173 Å²	173	132.9 Å²	132.9	91%	0.906	78%	0.779	S	S	*	*			trans	77.6	136.4	160.2	-80.8	156.7	0	0	0	121.7
53	G	26.4	Very low	29.5	Very low	73 Å²	73	133.6 Å²	133.6	75%	0.753	78%	0.779	S	S	*	*			trans	170.7	110.1	165.9	0	0	0	0	0	112.4
54	I	31.6	Very low	29.9	Very low	153 Å²	153	133.3 Å²	133.3	79%	0.785	78%	0.776	S	S	*	*			trans	-136.7	148.5	177.6	-51.8	175	0	0	0	108.3
55	V	31.4	Very low	30.1	Very low	105 Å²	105	133 Å²	133	64%	0.636	78%	0.779	S	S	*	*				152.5	126.6	127.7	-172.6	0	0	0	0	110.6
56	F	28.1	Very low	30.2	Very low	198 Å²	198	133.4 Å²	133.4	87%	0.868	78%	0.782	S	S	*	*			trans	147.2	131.7	135.6	-81.3	-69.3	0	0	0	114.4
57	L	29.3	Very low	30.3	Very low	162 Å²	162	128.4 Å²	128.4	85%	0.848	77%	0.771	S	S	*	*			trans	-120.9	-178.2	173	-78.5	164.5	0	0	0	107.2
58	P	35.6	Very low	30.5	Very low	112 Å²	112	130.1 Å²	130.1	73%	0.727	78%	0.775	S	S	*	*			cis	-140.7	-144.1	8.8	43.9	-21.7	0	0	0	112.1
59	P	42.7	Very low	30.8	Very low	116 Å²	116	129.7 Å²	129.7	75%	0.753	78%	0.778	S	S	*	*			cis	-123.9	-178.4	-42.2	28.4	-8.5	0	0	0	114.7
60	A	27.8	Very low	31.2	Very low	97 Å²	97	126.6 Å²	126.6	80%	0.802	77%	0.766	S	S	*	*			trans	85.5	103.5	149.3	0	0	0	0	0	120.7
61	A	27.1	Very low	31.7	Very low	93 Å²	93	126.5 Å²	126.5	77%	0.769	76%	0.761	S	S	*	*				179	122	107.7	0	0	0	0	0	110.2
62	V	33.9	Very low	32.6	Very low	134 Å²	134	130 Å²	130	81%	0.812	76%	0.763	S	S	*	*			trans	-89	109.1	172.3	175.9	0	0	0	0	108.4	I64	V62-I64 HydrophobicContact CG1-CG1 4.2Å
63	N	27.8	Very low	33.8	Very low	148 Å²	148	127.8 Å²	127.8	79%	0.791	75%	0.752	S	S	*	*			trans	-106.7	110.3	164	-88.4	-22	0	0	0	109.1	V65	N63-V65 PolarHBondContact O-N 2.93Å; N63-V65 VanDerWaalsContact O-N 3.16Å
64	I	33.8	Very low	35.2	Very low	148 Å²	148	129.6 Å²	129.6	76%	0.759	75%	0.751	S	S	*	*			trans	-74.8	100.3	168.6	-62.3	168.3	0	0	0	106.9	V62 T66	V62-I64 HydrophobicContact CG1-CG1 4.2Å; I64-T66 HydrophobicContact CG2-CG2 4.43Å
65	V	29.7	Very low	36.9	Very low	125 Å²	125	125.6 Å²	125.6	76%	0.758	74%	0.74	S	S	*	*			trans	-97	111.2	159.3	-178.6	0	0	0	0	106.4	N63 A67	N63-V65 PolarHBondContact O-N 2.93Å; N63-V65 VanDerWaalsContact O-N 3.16Å; V65-A67 VanDerWaalsContact C-N 3.32Å; V65-A67 PolarHBondContact O-N 3.25Å
66	T	29.6	Very low	38.9	Very low	120 Å²	120	125.5 Å²	125.5	74%	0.736	74%	0.744	S	S	*	*			trans	-64.9	94.9	167.1	43.9	0	0	0	0	108.3	I64 E68	I64-T66 HydrophobicContact CG2-CG2 4.43Å; T66-E68 PolarHBondContact O-N 3.37Å; T66-E68 VanDerWaalsContact O-N 3.14Å
67	A	29	Very low	41.5	Very low	83 Å²	83	119.3 Å²	119.3	69%	0.686	72%	0.724	S	S	*	*			trans	-65	110.2	164.7	0	0	0	0	0	107.6	V65 V69	V65-A67 VanDerWaalsContact C-N 3.32Å; V65-A67 PolarHBondContact O-N 3.25Å; A67-V69 PolarHBondContact O-N 3.27Å; A67-V69 VanDerWaalsContact O-N 3.1Å
68	E	30.5	Very low	44	Very low	174 Å²	174	116.1 Å²	116.1	81%	0.813	71%	0.707	S	S	*	*			trans	-58.4	115.6	166.2	-69.9	-175.6	142	0	0	107.7	T66 T70	T66-E68 PolarHBondContact O-N 3.37Å; T66-E68 VanDerWaalsContact O-N 3.14Å; E68-T70 PolarHBondContact O-N 2.66Å
69	V	33.3	Very low	46.4	Very low	137 Å²	137	113 Å²	113	83%	0.83	68%	0.684	S	S	*	*			trans	-72.9	87.2	171.5	-179.3	0	0	0	0	106.9	A67 D71	A67-V69 PolarHBondContact O-N 3.27Å; A67-V69 VanDerWaalsContact O-N 3.1Å; V69-D71 PolarHBondContact O-N 3.44Å
70	T	37	Very low	48.5	Very low	98 Å²	98	112 Å²	112	60%	0.601	67%	0.672	S	S	*	*			trans	-64.6	104.5	161.3	44.4	0	0	0	0	107.3	E68 H72	E68-T70 PolarHBondContact O-N 2.66Å; T70-H72 PolarHBondContact O-N 3.18Å
71	D	42	Very low	51.2	Low	123 Å²	123	108.2 Å²	108.2	66%	0.658	64%	0.637	S	S	*	*			trans	-68.7	72.3	170.7	-175.2	8.2	0	0	0	109.5	V69 N73	V69-D71 PolarHBondContact O-N 3.44Å; D71-N73 VanDerWaalsContact C-N 3.25Å; D71-N73 PolarHBondContact O-N 3.48Å; D71-N73 PolarHBondContact OD1-N 2.97Å; D71-N73 PolarHBondContact OD1-ND2 2.82Å
72	H	46.4	Very low	53.9	Low	158 Å²	158	108.2 Å²	108.2	73%	0.731	63%	0.632	S	S	*	*			trans	-90.4	67.3	165.8	-75.5	-30.1	0	0	0	108.9	T70 P74	T70-H72 PolarHBondContact O-N 3.18Å; H72-P74 VanDerWaalsContact O-CD 3.26Å; H72-P74 WeakPolarHBondContact O-CD 3.26Å; H72-P74 VanDerWaalsContact O-N 3.11Å
73	N	55.7	Low	56.2	Low	127 Å²	127	107.9 Å²	107.9	68%	0.679	62%	0.616	S	S	*	*			trans	-50	114.8	148.7	-94.8	-68.2	0	0	0	107.7	D71 A75	D71-N73 VanDerWaalsContact C-N 3.25Å; D71-N73 PolarHBondContact O-N 3.48Å; D71-N73 PolarHBondContact OD1-N 2.97Å; D71-N73 PolarHBondContact OD1-ND2 2.82Å; N73-A75 PolarHBondContact O-N 3.2Å
74	P	56.5	Low	59.1	Low	111 Å²	111	102.1 Å²	102.1	72%	0.721	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-61.6	126.6	177.9	25.3	-32.5	0	0	0	107.9	H72 S76	H72-P74 VanDerWaalsContact O-CD 3.26Å; H72-P74 WeakPolarHBondContact O-CD 3.26Å; H72-P74 VanDerWaalsContact O-N 3.11Å; P74-S76 PolarHBondContact O-N 2.84Å; P74-S76 VanDerWaalsContact O-N 3.14Å
75	A	68.3	Low	61.9	Low	68 Å²	68	96.5 Å²	96.5	56%	0.562	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-53.3	124.1	-176	0	0	0	0	0	109.9	N73 L110	N73-A75 PolarHBondContact O-N 3.2Å; A75-L110 WeakPolarHBondContact O-CD1 3.48Å
76	S	73.6	Confident	65	Low	104 Å²	104	91.1 Å²	91.1	73%	0.727	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-75.7	136.5	174.1	-68.3	0	0	0	0	109.5	P74	P74-S76 PolarHBondContact O-N 2.84Å; P74-S76 VanDerWaalsContact O-N 3.14Å
77	P	81.1	Confident	68.2	Low	67 Å²	67	85.7 Å²	85.7	44%	0.435	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-66	143.1	-179.6	28.8	-35.5	0	0	0	111	L79 Y81 D108 L110	P77-L79 WeakPolarHBondContact CB-O 3.46Å; P77-L79 PolarHBondContact O-N 3.31Å; P77-Y81 HydrophobicContact CB-CD2 4.29Å; P77-Y81 HydrophobicContact CB-CE2 4.01Å; P77-D108 WeakPolarHBondContact CA-OD2 3.5Å; P77-L110 HydrophobicContact CB-CB 4.47Å
78	L	82.7	Confident	71.3	Confident	96 Å²	96	87 Å²	87	50%	0.503	49%	0.494	S	S	.	.	S	Bend	trans	-69.4	-14.7	-180	-57.9	-176.4	0	0	0	112.9	Q107 D108	L78-Q107 HydrophobicContact CD1-CB 4.12Å; L78-D108 HydrophobicContact CB-CB 4.17Å; L78-D108 HydrophobicContact CD1-CB 3.91Å; L78-D108 HydrophobicContact CG-CB 3.94Å; L78-D108 PolarHBondContact N-OD2 3.26Å
79	L	85.5	Confident	74.3	Confident	47 Å²	47	82.3 Å²	82.3	25%	0.246	47%	0.472	C	S	.	.	S	Bend	trans	-142.3	148.1	174.6	-75.1	175.7	0	0	0	109.9	P77 Y81 V101 L104	P77-L79 WeakPolarHBondContact CB-O 3.46Å; P77-L79 PolarHBondContact O-N 3.31Å; L79-Y81 HydrophobicContact CB-CD1 4.21Å; L79-Y81 HydrophobicContact CB-CE1 3.75Å; L79-Y81 HydrophobicContact CB-CE2 4.31Å; L79-Y81 HydrophobicContact CD1-CE1 3.99Å; L79-Y81 HydrophobicContact CG-CE1 4.47Å; L79-Y81 WeakPolarHBondContact O-CD2 3.39Å; L79-Y81 WeakPolarHBondContact O-CE2 3.27Å; L79-Y81 PolarHBondContact O-N 3.17Å; L79-V101 HydrophobicContact CD1-CB 4.44Å; L79-V101 HydrophobicContact CD1-CG1 3.91Å; L79-L104 HydrophobicContact CD1-CB 3.66Å; L79-L104 HydrophobicContact CD1-CD1 3.86Å; L79-L104 HydrophobicContact CD1-CG 4.41Å; L79-L104 HydrophobicContact CD2-CD1 3.78Å; L79-L104 HydrophobicContact CG-CB 4.02Å; L79-L104 HydrophobicContact CG-CD1 3.84Å
80	N	86.3	Confident	77.3	Confident	93 Å²	93	75.8 Å²	75.8	50%	0.497	43%	0.433	S	S	.	.			trans	-77.2	86.9	168.1	-172.3	-3.3	0	0	0	110.4	S82 R83	N80-S82 PolarHBondContact O-N 3.3Å; N80-S82 PolarHBondContact OD1-N 2.99Å; N80-S82 PolarHBondContact OD1-OG 2.68Å; N80-R83 PolarHBondContact O-N 3.27Å
81	Y	86.1	Confident	80.1	Confident	18 Å²	18	71.5 Å²	71.5	7%	0.071	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-66	-18.6	-177.8	-59.6	-69.9	0	0	0	114.5	P77 L79 R83 I84 C105 D108 C111 P112 F113	P77-Y81 HydrophobicContact CB-CD2 4.29Å; P77-Y81 HydrophobicContact CB-CE2 4.01Å; L79-Y81 HydrophobicContact CB-CD1 4.21Å; L79-Y81 HydrophobicContact CB-CE1 3.75Å; L79-Y81 HydrophobicContact CB-CE2 4.31Å; L79-Y81 HydrophobicContact CD1-CE1 3.99Å; L79-Y81 HydrophobicContact CG-CE1 4.47Å; L79-Y81 WeakPolarHBondContact O-CD2 3.39Å; L79-Y81 WeakPolarHBondContact O-CE2 3.27Å; L79-Y81 PolarHBondContact O-N 3.17Å; Y81-R83 PolarHBondContact O-N 3.03Å; Y81-I84 HydrophobicContact CD1-CD1 4.23Å; Y81-I84 PolarHBondContact O-N 3.49Å; Y81-C105 HydrophobicContact CE1-CB 4.18Å; Y81-D108 WeakPolarHBondContact CE2-OD2 3.48Å; Y81-D108 WeakPolarHBondContact OH-CB 3.44Å; Y81-D108 PolarHBondContact OH-OD2 2.95Å; Y81-C111 HydrophobicContact CE1-CB 4.03Å; Y81-C111 WeakPolarHBondContact CE1-SG 3.35Å; Y81-C111 HydrophobicContact CE2-CB 3.96Å; Y81-P112 HydrophobicContact CG-CG 4.23Å; Y81-F113 HydrophobicContact CD1-CD2 4.1Å; Y81-F113 AromaticContact CD1-CE2 3.92Å; Y81-F113 HydrophobicContact CD1-CE2 3.92Å; Y81-F113 HydrophobicContact CG-CE2 4.37Å
82	S	82.7	Confident	82.6	Confident	94 Å²	94	66.4 Å²	66.4	66%	0.657	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-65.2	-22	176.9	73.2	0	0	0	0	112.5	N80 I84	N80-S82 PolarHBondContact O-N 3.3Å; N80-S82 PolarHBondContact OD1-N 2.99Å; N80-S82 PolarHBondContact OD1-OG 2.68Å; S82-I84 PolarHBondContact O-N 2.86Å
83	R	82.6	Confident	84.9	Confident	126 Å²	126	60.1 Å²	60.1	48%	0.475	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-75.5	-7.1	171.6	-63.5	-178.8	164.9	-141.3	-11.5	113.9	N80 Y81 D313	N80-R83 PolarHBondContact O-N 3.27Å; Y81-R83 PolarHBondContact O-N 3.03Å; R83-D313 IonicContact CZ-OD2 2.8Å; R83-D313 IonicContact NH1-OD2 3.09Å; R83-D313 PolarHBondContact NH1-OD2 3.46Å; R83-D313 IonicContact NH2-OD2 2.88Å; R83-D313 PolarHBondContact NH2-OD2 3.14Å
84	I	88	Confident	86.8	Confident	27 Å²	27	55.1 Å²	55.1	14%	0.138	32%	0.322	C	S	.	.			trans	-105.1	63.4	172.9	-51.5	171.2	0	0	0	107.5	Y81 S82 L86 I91 F94 V101 F113	Y81-I84 HydrophobicContact CD1-CD1 4.23Å; Y81-I84 PolarHBondContact O-N 3.49Å; S82-I84 PolarHBondContact O-N 2.86Å; I84-L86 HydrophobicContact CG2-CD1 4.11Å; I84-L86 HydrophobicContact CG2-CG 4.46Å; I84-L86 PolarHBondContact O-N 3.13Å; I84-I91 HydrophobicContact CG2-CD1 4.13Å; I84-F94 HydrophobicContact CD1-CE1 4.17Å; I84-F94 HydrophobicContact CG1-CE1 4.46Å; I84-F94 HydrophobicContact CG2-CD1 4.07Å; I84-F94 HydrophobicContact CG2-CE1 3.7Å; I84-F94 HydrophobicContact CG2-CZ 4.29Å; I84-V101 HydrophobicContact CD1-CG1 3.69Å; I84-F113 HydrophobicContact CB-CE2 3.92Å; I84-F113 HydrophobicContact CB-CZ 4.14Å; I84-F113 HydrophobicContact CD1-CE2 4.28Å; I84-F113 HydrophobicContact CG2-CE2 3.96Å; I84-F113 HydrophobicContact CG2-CZ 4.15Å; I84-F113 WeakPolarHBondContact O-CZ 3.34Å
85	S	92.8	Very high	88.5	Confident	31 Å²	31	50 Å²	50	22%	0.217	29%	0.289	C	S	.	.			trans	-85.7	104	168.8	170	0	0	0	0	107.2	H395 R396	S85-H395 PolarHBondContact OG-NE2 3.44Å; S85-H395 VanDerWaalsContact OG-NE2 3.14Å; S85-R396 WeakPolarHBondContact O-CD 3.2Å; S85-R396 WeakPolarHBondContact OG-CD 3.41Å; S85-R396 PolarHBondContact OG-NH1 3.25Å; S85-R396 VanDerWaalsContact OG-NH1 3.12Å
86	L	95.5	Very high	89.7	Confident	11 Å²	11	48.1 Å²	48.1	6%	0.058	27%	0.271	C	S	.	.			trans	-140.4	151.7	176.1	-67	172.7	0	0	0	108.2	I84 H90 I91 F94 M310 H395	I84-L86 HydrophobicContact CG2-CD1 4.11Å; I84-L86 HydrophobicContact CG2-CG 4.46Å; I84-L86 PolarHBondContact O-N 3.13Å; L86-H90 HydrophobicContact CB-CB 4.38Å; L86-I91 HydrophobicContact CB-CD1 3.78Å; L86-I91 HydrophobicContact CB-CG1 4.49Å; L86-I91 HydrophobicContact CD1-CD1 4.36Å; L86-F94 HydrophobicContact CD1-CB 3.72Å; L86-F94 HydrophobicContact CD1-CD1 3.98Å; L86-F94 HydrophobicContact CD1-CD2 3.69Å; L86-F94 HydrophobicContact CD1-CE2 4.32Å; L86-F94 HydrophobicContact CD1-CG 3.5Å; L86-F94 VanDerWaalsContact CD1-CG 3.5Å; L86-M310 HydrophobicContact CD2-CB 3.94Å; L86-M310 HydrophobicContact CD2-CG 4.2Å; L86-H395 VanDerWaalsContact C-CD2 3.44Å; L86-H395 PolarHBondContact N-NE2 2.72Å; L86-H395 PolarHBondContact O-NE2 3.07Å
87	P	96	Very high	90.6	Very high	7 Å²	7	45 Å²	45	5%	0.045	25%	0.246	C	C	.	.			trans	-50.5	139.1	171.8	-26.2	34.5	0	0	0	111.3	E89 H90 I91 Q391 H395	P87-E89 PolarHBondContact O-N 3.41Å; P87-E89 VanDerWaalsContact O-N 3.08Å; P87-H90 HydrophobicContact CB-CB 4.46Å; P87-H90 WeakPolarHBondContact O-CB 3.48Å; P87-H90 PolarHBondContact O-N 2.84Å; P87-I91 PolarHBondContact O-N 3.47Å; P87-Q391 HydrophobicContact CB-CB 4.19Å; P87-Q391 VanDerWaalsContact CG-C 3.49Å; P87-Q391 HydrophobicContact CG-CB 3.87Å; P87-Q391 WeakPolarHBondContact CG-O 3.42Å; P87-H395 HydrophobicContact CB-CB 4.48Å; P87-H395 HydrophobicContact CG-CB 3.81Å
88	P	93.9	Very high	91.2	Very high	109 Å²	109	43 Å²	43	71%	0.708	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	-34.3	-178.1	-29.9	36	0	0	0	114.2	H90 I91	P88-H90 VanDerWaalsContact C-N 3.26Å; P88-H90 PolarHBondContact O-N 2.75Å; P88-I91 PolarHBondContact O-N 2.86Å
89	E	94.3	Very high	91.6	Very high	76 Å²	76	46.3 Å²	46.3	36%	0.355	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-26.6	175.5	-170.6	173.3	178.9	0	0	113	P87 Y93 F136 R387 Q391	P87-E89 PolarHBondContact O-N 3.41Å; P87-E89 VanDerWaalsContact O-N 3.08Å; E89-Y93 WeakPolarHBondContact O-CD2 3.43Å; E89-Y93 VanDerWaalsContact O-CE2 3.23Å; E89-Y93 WeakPolarHBondContact O-CE2 3.31Å; E89-F136 HydrophobicContact CG-CE2 4.2Å; E89-R387 VanDerWaalsContact CD-NH2 3.3Å; E89-R387 IonicContact OE1-CZ 2.87Å; E89-R387 VanDerWaalsContact OE1-CZ 3.31Å; E89-R387 IonicContact OE1-NH1 3.14Å; E89-R387 PolarHBondContact OE1-NH1 2.83Å; E89-R387 IonicContact OE1-NH2 3.08Å; E89-R387 PolarHBondContact OE1-NH2 2.74Å; E89-R387 IonicContact OE2-CZ 2.65Å; E89-R387 IonicContact OE2-NH1 3.27Å; E89-R387 IonicContact OE2-NH2 3.44Å; E89-R387 PolarHBondContact OE2-NH2 3.07Å; E89-Q391 PolarHBondContact OE2-NE2 2.64Å
90	H	96.2	Very high	91.9	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-25.5	-177.6	-63.7	-166.8	0	0	0	113.1	L86 P87 P88 Y93 F94 W124 F136 A388 Q391	L86-H90 HydrophobicContact CB-CB 4.38Å; P87-H90 HydrophobicContact CB-CB 4.46Å; P87-H90 WeakPolarHBondContact O-CB 3.48Å; P87-H90 PolarHBondContact O-N 2.84Å; P88-H90 VanDerWaalsContact C-N 3.26Å; P88-H90 PolarHBondContact O-N 2.75Å; H90-Y93 PolarHBondContact O-N 2.81Å; H90-F94 PolarHBondContact O-N 3.34Å; H90-W124 HydrophobicContact CB-CH2 3.91Å; H90-W124 HydrophobicContact CB-CZ2 4.17Å; H90-W124 AromaticContact CG-CH2 3.75Å; H90-W124 AromaticContact ND1-CH2 3.89Å; H90-F136 AromaticContact CD2-CE2 3.67Å; H90-F136 AromaticContact NE2-CZ 3.95Å; H90-A388 PolarHBondContact CE1-O 3.02Å; H90-A388 VanDerWaalsContact CE1-O 3.23Å; H90-Q391 PolarHBondContact NE2-OE1 3.09Å
91	I	95.3	Very high	92.2	Very high	7 Å²	7	49.2 Å²	49.2	4%	0.036	25%	0.251	C	S	.	.	H	α-helix	trans	-54.3	-45.2	-174.2	-62.8	-71.9	0	0	0	112.8	I84 L86 P87 P88 Y93 F94 L95 F113 A116	I84-I91 HydrophobicContact CG2-CD1 4.13Å; L86-I91 HydrophobicContact CB-CD1 3.78Å; L86-I91 HydrophobicContact CB-CG1 4.49Å; L86-I91 HydrophobicContact CD1-CD1 4.36Å; P87-I91 PolarHBondContact O-N 3.47Å; P88-I91 PolarHBondContact O-N 2.86Å; I91-Y93 PolarHBondContact O-N 3.43Å; I91-F94 PolarHBondContact O-N 2.84Å; I91-L95 HydrophobicContact CG2-CD1 3.7Å; I91-L95 HydrophobicContact CG2-CG 4.16Å; I91-L95 WeakPolarHBondContact O-CB 3.47Å; I91-L95 VanDerWaalsContact O-CG 3.27Å; I91-L95 WeakPolarHBondContact O-CG 3.24Å; I91-L95 PolarHBondContact O-N 3.47Å; I91-F113 HydrophobicContact CD1-CD1 4Å; I91-F113 HydrophobicContact CD1-CE1 3.67Å; I91-F113 HydrophobicContact CD1-CZ 3.98Å; I91-F113 HydrophobicContact CG1-CD1 4.21Å; I91-F113 HydrophobicContact CG1-CE1 4.22Å; I91-F113 HydrophobicContact CG2-CB 3.8Å; I91-F113 HydrophobicContact CG2-CD1 3.72Å; I91-F113 HydrophobicContact CG2-CE1 4.44Å; I91-F113 HydrophobicContact CG2-CG 3.77Å; I91-A116 HydrophobicContact CB-CB 4.28Å; I91-A116 HydrophobicContact CG2-CB 3.57Å
92	P	94.7	Very high	92.5	Very high	17 Å²	17	48.5 Å²	48.5	11%	0.11	25%	0.249	C	C	.	.	H	α-helix	trans	-59.6	-47.5	178.1	-22.9	33.9	0	0	0	112.5	L95 S96 A116 L122	P92-L95 PolarHBondContact O-N 3.2Å; P92-S96 PolarHBondContact O-N 3.33Å; P92-S96 PolarHBondContact O-OG 3.14Å; P92-A116 HydrophobicContact CB-CB 4.42Å; P92-A116 HydrophobicContact CG-CB 3.86Å; P92-L122 HydrophobicContact CB-CD1 3.86Å; P92-L122 HydrophobicContact CG-CD1 4.5Å
93	Y	95.4	Very high	93	Very high	26 Å²	26	49.7 Å²	49.7	10%	0.102	24%	0.242	C	C	.	.	H	α-helix	trans	-63	-43.9	179	-57	-86.1	0	0	0	111.8	E89 H90 I91 L95 N97 L122 C123 W124 F136	E89-Y93 WeakPolarHBondContact O-CD2 3.43Å; E89-Y93 VanDerWaalsContact O-CE2 3.23Å; E89-Y93 WeakPolarHBondContact O-CE2 3.31Å; H90-Y93 PolarHBondContact O-N 2.81Å; I91-Y93 PolarHBondContact O-N 3.43Å; Y93-L95 PolarHBondContact O-N 3.29Å; Y93-N97 WeakPolarHBondContact O-CB 3.26Å; Y93-N97 PolarHBondContact O-N 3.04Å; Y93-N97 VanDerWaalsContact O-N 3.16Å; Y93-L122 HydrophobicContact CD1-CB 3.9Å; Y93-L122 HydrophobicContact CE1-CB 3.72Å; Y93-L122 HydrophobicContact CE1-CD1 4.46Å; Y93-L122 HydrophobicContact CE1-CD2 4.15Å; Y93-L122 HydrophobicContact CE1-CG 4.32Å; Y93-L122 HydrophobicContact CE2-CD1 4.36Å; Y93-L122 HydrophobicContact CG-CB 4.49Å; Y93-C123 VanDerWaalsContact CD1-O 3.31Å; Y93-C123 WeakPolarHBondContact CD1-O 3.36Å; Y93-W124 VanDerWaalsContact CB-CE2 3.44Å; Y93-W124 PolarHBondContact O-NE1 2.89Å; Y93-F136 HydrophobicContact CD1-CB 4.21Å; Y93-F136 HydrophobicContact CD1-CD2 4.41Å; Y93-F136 AromaticContact CD2-CD2 3.75Å; Y93-F136 HydrophobicContact CD2-CD2 3.75Å; Y93-F136 HydrophobicContact CD2-CE2 4.35Å; Y93-F136 VanDerWaalsContact CE1-CA 3.47Å; Y93-F136 HydrophobicContact CE1-CB 3.98Å; Y93-F136 HydrophobicContact CE1-CD2 4.3Å; Y93-F136 AromaticContact CE2-CD2 3.6Å; Y93-F136 HydrophobicContact CE2-CD2 3.6Å; Y93-F136 HydrophobicContact CE2-CE2 4.17Å; Y93-F136 HydrophobicContact CG-CD2 4.16Å; Y93-F136 AromaticContact CZ-CD2 3.9Å
94	F	95.1	Very high	93.5	Very high	22 Å²	22	45.8 Å²	45.8	10%	0.096	23%	0.231	C	C	.	.	H	α-helix	trans	-59.2	-45.2	174	171.4	-97.5	0	0	0	112.3	I84 L86 H90 I91 N98 V101	I84-F94 HydrophobicContact CD1-CE1 4.17Å; I84-F94 HydrophobicContact CG1-CE1 4.46Å; I84-F94 HydrophobicContact CG2-CD1 4.07Å; I84-F94 HydrophobicContact CG2-CE1 3.7Å; I84-F94 HydrophobicContact CG2-CZ 4.29Å; L86-F94 HydrophobicContact CD1-CB 3.72Å; L86-F94 HydrophobicContact CD1-CD1 3.98Å; L86-F94 HydrophobicContact CD1-CD2 3.69Å; L86-F94 HydrophobicContact CD1-CE2 4.32Å; L86-F94 HydrophobicContact CD1-CG 3.5Å; L86-F94 VanDerWaalsContact CD1-CG 3.5Å; H90-F94 PolarHBondContact O-N 3.34Å; I91-F94 PolarHBondContact O-N 2.84Å; F94-N98 WeakPolarHBondContact CD2-ND2 3.44Å; F94-N98 HydrophobicContact CE1-CB 4.47Å; F94-N98 HydrophobicContact CE2-CB 4.46Å; F94-N98 VanDerWaalsContact CE2-ND2 3.3Å; F94-N98 WeakPolarHBondContact CE2-ND2 3.14Å; F94-N98 HydrophobicContact CZ-CB 4.27Å; F94-N98 VanDerWaalsContact O-CB 3.27Å; F94-N98 WeakPolarHBondContact O-CB 3.28Å; F94-N98 PolarHBondContact O-N 2.96Å; F94-N98 PolarHBondContact O-ND2 2.84Å; F94-V101 HydrophobicContact CE1-CG1 4.17Å
95	L	93.6	Very high	93.8	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-69.9	-39.8	-178.8	-71.4	175.7	0	0	0	112.8	I91 P92 Y93 N97 N98 V101 A102 F113 A116 L117	I91-L95 HydrophobicContact CG2-CD1 3.7Å; I91-L95 HydrophobicContact CG2-CG 4.16Å; I91-L95 WeakPolarHBondContact O-CB 3.47Å; I91-L95 VanDerWaalsContact O-CG 3.27Å; I91-L95 WeakPolarHBondContact O-CG 3.24Å; I91-L95 PolarHBondContact O-N 3.47Å; P92-L95 PolarHBondContact O-N 3.2Å; Y93-L95 PolarHBondContact O-N 3.29Å; L95-N97 VanDerWaalsContact C-N 3.33Å; L95-N97 PolarHBondContact O-N 3.29Å; L95-N98 CarbonylContact O-C 3.54Å; L95-N98 VanDerWaalsContact O-C 3.3Å; L95-N98 PolarHBondContact O-N 3.26Å; L95-V101 HydrophobicContact CD2-CB 4.5Å; L95-V101 HydrophobicContact CD2-CG1 3.87Å; L95-A102 HydrophobicContact CB-CB 4.15Å; L95-A102 HydrophobicContact CD2-CB 4.31Å; L95-A102 WeakPolarHBondContact O-CB 3.36Å; L95-F113 HydrophobicContact CD1-CB 3.88Å; L95-A116 HydrophobicContact CD1-CB 4.06Å; L95-L117 HydrophobicContact CB-CD2 4.48Å; L95-L117 HydrophobicContact CD1-CD2 3.98Å; L95-L117 HydrophobicContact CD1-CG 4.14Å
96	S	92	Very high	93.8	Very high	28 Å²	28	49.5 Å²	49.5	20%	0.196	24%	0.238	C	C	.	.	H	α-helix	trans	-60	-43.3	174.5	-70.8	0	0	0	0	112.3	P92 L122	P92-S96 PolarHBondContact O-N 3.33Å; P92-S96 PolarHBondContact O-OG 3.14Å; S96-L122 WeakPolarHBondContact CB-O 3.48Å; S96-L122 PolarHBondContact OG-O 3.13Å
97	N	92.4	Very high	93.7	Very high	37 Å²	37	54.5 Å²	54.5	20%	0.198	26%	0.261	C	S	.	.	H	α-helix	trans	-68.8	-41.4	175.1	-171.8	27.4	0	0	0	111.2	Y93 L95 K99 Y126 N308	Y93-N97 WeakPolarHBondContact O-CB 3.26Å; Y93-N97 PolarHBondContact O-N 3.04Å; Y93-N97 VanDerWaalsContact O-N 3.16Å; L95-N97 VanDerWaalsContact C-N 3.33Å; L95-N97 PolarHBondContact O-N 3.29Å; N97-K99 PolarHBondContact O-N 3.47Å; N97-Y126 PolarHBondContact ND2-OH 3.21Å; N97-Y126 VanDerWaalsContact ND2-OH 3.07Å; N97-N308 PolarHBondContact ND2-OD1 3.25Å
98	N	93.3	Very high	93.5	Very high	26 Å²	26	54.3 Å²	54.3	14%	0.139	26%	0.26	C	S	.	.			trans	-96.4	64.9	-177.7	-69.3	-77.4	0	0	0	113.9	F94 L95 K100 V101 A102 N308	F94-N98 WeakPolarHBondContact CD2-ND2 3.44Å; F94-N98 HydrophobicContact CE1-CB 4.47Å; F94-N98 HydrophobicContact CE2-CB 4.46Å; F94-N98 VanDerWaalsContact CE2-ND2 3.3Å; F94-N98 WeakPolarHBondContact CE2-ND2 3.14Å; F94-N98 HydrophobicContact CZ-CB 4.27Å; F94-N98 VanDerWaalsContact O-CB 3.27Å; F94-N98 WeakPolarHBondContact O-CB 3.28Å; F94-N98 PolarHBondContact O-N 2.96Å; F94-N98 PolarHBondContact O-ND2 2.84Å; L95-N98 CarbonylContact O-C 3.54Å; L95-N98 VanDerWaalsContact O-C 3.3Å; L95-N98 PolarHBondContact O-N 3.26Å; N98-K100 PolarHBondContact O-N 2.65Å; N98-V101 HydrophobicContact CB-CB 4.2Å; N98-V101 HydrophobicContact CB-CG2 4.17Å; N98-V101 WeakPolarHBondContact O-CB 3.42Å; N98-V101 PolarHBondContact O-N 2.94Å; N98-A102 PolarHBondContact O-N 3.13Å; N98-N308 PolarHBondContact OD1-ND2 3.21Å; N98-N308 VanDerWaalsContact OD1-ND2 3.1Å
99	K	91.4	Very high	93.4	Very high	165 Å²	165	54.3 Å²	54.3	72%	0.717	26%	0.26	S	S	*	.	H	α-helix	trans	-49.7	-32.9	-176	-62.9	-177.7	-179.8	-179.9	0	115.7	N97 K103	N97-K99 PolarHBondContact O-N 3.47Å; K99-K103 WeakPolarHBondContact O-CB 3.48Å; K99-K103 PolarHBondContact O-N 3.35Å
100	K	92.3	Very high	93.3	Very high	172 Å²	172	55.2 Å²	55.2	75%	0.748	27%	0.266	S	S	*	.	H	α-helix	trans	-67.1	-46.2	175.8	-175.9	-179.5	176.8	-175.2	0	111.5	N98 K103 L104	N98-K100 PolarHBondContact O-N 2.65Å; K100-K103 PolarHBondContact O-N 2.98Å; K100-L104 HydrophobicContact CG-CD1 4.43Å; K100-L104 WeakPolarHBondContact O-CG 3.34Å; K100-L104 PolarHBondContact O-N 3.12Å; K100-L104 VanDerWaalsContact O-N 3.12Å
101	V	92.7	Very high	93.2	Very high	30 Å²	30	55.4 Å²	55.4	18%	0.182	27%	0.268	C	S	.	.	H	α-helix	trans	-64.1	-45.4	176.5	179.2	0	0	0	0	110	L79 I84 F94 L95 N98 K103 L104 C105	L79-V101 HydrophobicContact CD1-CB 4.44Å; L79-V101 HydrophobicContact CD1-CG1 3.91Å; I84-V101 HydrophobicContact CD1-CG1 3.69Å; F94-V101 HydrophobicContact CE1-CG1 4.17Å; L95-V101 HydrophobicContact CD2-CB 4.5Å; L95-V101 HydrophobicContact CD2-CG1 3.87Å; N98-V101 HydrophobicContact CB-CB 4.2Å; N98-V101 HydrophobicContact CB-CG2 4.17Å; N98-V101 WeakPolarHBondContact O-CB 3.42Å; N98-V101 PolarHBondContact O-N 2.94Å; V101-K103 VanDerWaalsContact C-N 3.32Å; V101-K103 PolarHBondContact O-N 3.43Å; V101-L104 PolarHBondContact O-N 3.41Å; V101-C105 WeakPolarHBondContact O-CB 3.48Å; V101-C105 PolarHBondContact O-N 2.88Å
102	A	92.8	Very high	93	Very high	2 Å²	2	59.1 Å²	59.1	2%	0.017	29%	0.293	C	S	.	.	H	α-helix	trans	-62.3	-34.7	176.3	0	0	0	0	0	113.5	L95 N98 R106 L117	L95-A102 HydrophobicContact CB-CB 4.15Å; L95-A102 HydrophobicContact CD2-CB 4.31Å; L95-A102 WeakPolarHBondContact O-CB 3.36Å; N98-A102 PolarHBondContact O-N 3.13Å; A102-R106 WeakPolarHBondContact O-CG 3.37Å; A102-R106 PolarHBondContact O-N 3.19Å; A102-L117 HydrophobicContact CB-CD2 3.78Å
103	K	93.3	Very high	92.9	Very high	119 Å²	119	59.9 Å²	59.9	52%	0.517	29%	0.294	S	S	.	.	H	α-helix	trans	-64.1	-49.1	173.1	-177.7	-178.9	174.6	-177.2	0	111.4	K99 K100 V101 R106 Q107	K99-K103 WeakPolarHBondContact O-CB 3.48Å; K99-K103 PolarHBondContact O-N 3.35Å; K100-K103 PolarHBondContact O-N 2.98Å; V101-K103 VanDerWaalsContact C-N 3.32Å; V101-K103 PolarHBondContact O-N 3.43Å; K103-R106 PolarHBondContact O-N 2.96Å; K103-Q107 WeakPolarHBondContact O-CG 3.35Å; K103-Q107 PolarHBondContact O-N 2.94Å
104	L	93.4	Very high	92.7	Very high	45 Å²	45	62.1 Å²	62.1	24%	0.236	31%	0.305	C	S	.	.	H	α-helix	trans	-63.3	-46	179.4	-68.9	167.9	0	0	0	111.1	L79 K100 V101 R106 Q107 D108	L79-L104 HydrophobicContact CD1-CB 3.66Å; L79-L104 HydrophobicContact CD1-CD1 3.86Å; L79-L104 HydrophobicContact CD1-CG 4.41Å; L79-L104 HydrophobicContact CD2-CD1 3.78Å; L79-L104 HydrophobicContact CG-CB 4.02Å; L79-L104 HydrophobicContact CG-CD1 3.84Å; K100-L104 HydrophobicContact CG-CD1 4.43Å; K100-L104 WeakPolarHBondContact O-CG 3.34Å; K100-L104 PolarHBondContact O-N 3.12Å; K100-L104 VanDerWaalsContact O-N 3.12Å; V101-L104 PolarHBondContact O-N 3.41Å; L104-R106 VanDerWaalsContact C-N 3.29Å; L104-R106 PolarHBondContact O-N 3.03Å; L104-Q107 PolarHBondContact O-N 3.21Å; L104-D108 WeakPolarHBondContact O-CB 3.36Å; L104-D108 PolarHBondContact O-N 3.41Å
105	C	93.4	Very high	92.4	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-59.7	-33.4	174.7	177.6	0	0	0	0	113.5	Y81 V101 C111 K114 L117	Y81-C105 HydrophobicContact CE1-CB 4.18Å; V101-C105 WeakPolarHBondContact O-CB 3.48Å; V101-C105 PolarHBondContact O-N 2.88Å; C105-C111 HydrophobicContact CB-CB 3.87Å; C105-C111 WeakPolarHBondContact CB-SG 3.42Å; C105-C111 WeakPolarHBondContact O-CB 3.49Å; C105-C111 WeakPolarHBondContact SG-CB 3.3Å; C105-C111 CovalentContact SG-SG 2.03Å; C105-C111 PolarHBondContact SG-SG 3.42Å; C105-K114 PolarHBondContact O-NZ 2.77Å; C105-L117 HydrophobicContact CB-CD1 4.08Å; C105-L117 WeakPolarHBondContact SG-CD1 3.38Å
106	R	92.8	Very high	92.2	Very high	135 Å²	135	66.6 Å²	66.6	51%	0.509	33%	0.332	S	S	.	.	H	α-helix	trans	-65.3	-40.6	171.9	-81	-177.6	-128.8	108	4.9	112.2	A102 K103 L104 K114 L117	A102-R106 WeakPolarHBondContact O-CG 3.37Å; A102-R106 PolarHBondContact O-N 3.19Å; K103-R106 PolarHBondContact O-N 2.96Å; L104-R106 VanDerWaalsContact C-N 3.29Å; L104-R106 PolarHBondContact O-N 3.03Å; R106-K114 PolarHBondContact O-NZ 3.26Å; R106-L117 HydrophobicContact CB-CD1 4.39Å; R106-L117 HydrophobicContact CG-CD1 3.55Å; R106-L117 HydrophobicContact CG-CD2 4.16Å; R106-L117 HydrophobicContact CG-CG 4.34Å
107	Q	92.9	Very high	91.9	Very high	116 Å²	116	66.6 Å²	66.6	54%	0.542	33%	0.33	S	S	.	.	H	α-helix	trans	-77.5	-32.4	-176.7	-66.2	176.8	-59.3	0	0	112.9	L78 K103 L104 P109	L78-Q107 HydrophobicContact CD1-CB 4.12Å; K103-Q107 WeakPolarHBondContact O-CG 3.35Å; K103-Q107 PolarHBondContact O-N 2.94Å; L104-Q107 PolarHBondContact O-N 3.21Å; Q107-P109 WeakPolarHBondContact O-CD 3.24Å
108	D	93.6	Very high	91.4	Very high	3 Å²	3	73.6 Å²	73.6	2%	0.016	35%	0.353	C	S	.	.			trans	-80.4	117	-176.4	-170.6	-20.8	0	0	0	112.5	P77 L78 Y81 L104 L110 C111 K114	P77-D108 WeakPolarHBondContact CA-OD2 3.5Å; L78-D108 HydrophobicContact CB-CB 4.17Å; L78-D108 HydrophobicContact CD1-CB 3.91Å; L78-D108 HydrophobicContact CG-CB 3.94Å; L78-D108 PolarHBondContact N-OD2 3.26Å; Y81-D108 WeakPolarHBondContact CE2-OD2 3.48Å; Y81-D108 WeakPolarHBondContact OH-CB 3.44Å; Y81-D108 PolarHBondContact OH-OD2 2.95Å; L104-D108 WeakPolarHBondContact O-CB 3.36Å; L104-D108 PolarHBondContact O-N 3.41Å; D108-L110 PolarHBondContact O-N 3.46Å; D108-L110 WeakPolarHBondContact OD1-CB 3.36Å; D108-L110 PolarHBondContact OD1-N 3.19Å; D108-C111 HydrophobicContact CB-CB 4.39Å; D108-C111 PolarHBondContact O-N 2.91Å; D108-K114 WeakPolarHBondContact O-CE 3.26Å; D108-K114 PolarHBondContact O-NZ 2.9Å
109	P	91.4	Very high	90.3	Very high	110 Å²	110	76.6 Å²	76.6	71%	0.714	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-27	176.7	-23.7	35.3	0	0	0	113.9	Q107	Q107-P109 WeakPolarHBondContact O-CD 3.24Å
110	L	92.6	Very high	89.1	Confident	94 Å²	94	73.3 Å²	73.3	49%	0.492	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	3.9	-174.7	-58.5	-176.1	0	0	0	114.3	A75 P77 D108 P112	A75-L110 WeakPolarHBondContact O-CD1 3.48Å; P77-L110 HydrophobicContact CB-CB 4.47Å; D108-L110 PolarHBondContact O-N 3.46Å; D108-L110 WeakPolarHBondContact OD1-CB 3.36Å; D108-L110 PolarHBondContact OD1-N 3.19Å; L110-P112 WeakPolarHBondContact O-CD 3.3Å
111	C	92.3	Very high	88.6	Confident	6 Å²	6	68.1 Å²	68.1	4%	0.041	35%	0.35	C	S	.	.			trans	-63.2	122	177.2	-174	0	0	0	0	111	Y81 C105 D108 F113 K114	Y81-C111 HydrophobicContact CE1-CB 4.03Å; Y81-C111 WeakPolarHBondContact CE1-SG 3.35Å; Y81-C111 HydrophobicContact CE2-CB 3.96Å; C105-C111 HydrophobicContact CB-CB 3.87Å; C105-C111 WeakPolarHBondContact CB-SG 3.42Å; C105-C111 WeakPolarHBondContact O-CB 3.49Å; C105-C111 WeakPolarHBondContact SG-CB 3.3Å; C105-C111 CovalentContact SG-SG 2.03Å; C105-C111 PolarHBondContact SG-SG 3.42Å; D108-C111 HydrophobicContact CB-CB 4.39Å; D108-C111 PolarHBondContact O-N 2.91Å; C111-F113 PolarHBondContact O-N 2.97Å; C111-F113 VanDerWaalsContact O-N 3.13Å; C111-K114 WeakPolarHBondContact O-CG 3.24Å
112	P	92.8	Very high	88.6	Confident	85 Å²	85	68.3 Å²	68.3	55%	0.552	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-9.9	179.7	29.4	-35.2	0	0	0	113.1	Y81 L110	Y81-P112 HydrophobicContact CG-CG 4.23Å; L110-P112 WeakPolarHBondContact O-CD 3.3Å
113	F	92.8	Very high	88.6	Confident	32 Å²	32	68.7 Å²	68.7	14%	0.14	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	21.7	-172.6	-45.8	-54.7	0	0	0	114	Y81 I84 I91 L95 C111 D115 A116 L117	Y81-F113 HydrophobicContact CD1-CD2 4.1Å; Y81-F113 AromaticContact CD1-CE2 3.92Å; Y81-F113 HydrophobicContact CD1-CE2 3.92Å; Y81-F113 HydrophobicContact CG-CE2 4.37Å; I84-F113 HydrophobicContact CB-CE2 3.92Å; I84-F113 HydrophobicContact CB-CZ 4.14Å; I84-F113 HydrophobicContact CD1-CE2 4.28Å; I84-F113 HydrophobicContact CG2-CE2 3.96Å; I84-F113 HydrophobicContact CG2-CZ 4.15Å; I84-F113 WeakPolarHBondContact O-CZ 3.34Å; I91-F113 HydrophobicContact CD1-CD1 4Å; I91-F113 HydrophobicContact CD1-CE1 3.67Å; I91-F113 HydrophobicContact CD1-CZ 3.98Å; I91-F113 HydrophobicContact CG1-CD1 4.21Å; I91-F113 HydrophobicContact CG1-CE1 4.22Å; I91-F113 HydrophobicContact CG2-CB 3.8Å; I91-F113 HydrophobicContact CG2-CD1 3.72Å; I91-F113 HydrophobicContact CG2-CE1 4.44Å; I91-F113 HydrophobicContact CG2-CG 3.77Å; L95-F113 HydrophobicContact CD1-CB 3.88Å; C111-F113 PolarHBondContact O-N 2.97Å; C111-F113 VanDerWaalsContact O-N 3.13Å; F113-D115 PolarHBondContact O-N 3.23Å; F113-A116 PolarHBondContact O-N 3.47Å; F113-L117 PolarHBondContact O-N 2.8Å
114	K	90.6	Very high	88.7	Confident	74 Å²	74	63.4 Å²	63.4	32%	0.322	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-38.8	179.6	-71.3	-60.9	-170.7	-172.6	0	113.2	C105 R106 D108 C111 L117	C105-K114 PolarHBondContact O-NZ 2.77Å; R106-K114 PolarHBondContact O-NZ 3.26Å; D108-K114 WeakPolarHBondContact O-CE 3.26Å; D108-K114 PolarHBondContact O-NZ 2.9Å; C111-K114 WeakPolarHBondContact O-CG 3.24Å; K114-L117 WeakPolarHBondContact O-CB 3.4Å; K114-L117 PolarHBondContact O-N 3.43Å
115	D	89.1	Confident	88.8	Confident	100 Å²	100	61.2 Å²	61.2	54%	0.535	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-35	-176.3	-64.5	-31.1	0	0	0	112.9	F113 L117 R118	F113-D115 PolarHBondContact O-N 3.23Å; D115-L117 PolarHBondContact O-N 3.24Å; D115-R118 VanDerWaalsContact O-CB 3.29Å; D115-R118 WeakPolarHBondContact O-CB 3.34Å; D115-R118 WeakPolarHBondContact O-CG 3.31Å; D115-R118 PolarHBondContact O-N 3.28Å; D115-R118 VanDerWaalsContact O-N 3.09Å; D115-R118 IonicContact OD1-CZ 3.55Å; D115-R118 IonicContact OD1-NE 3.41Å; D115-R118 PolarHBondContact OD1-NE 2.76Å; D115-R118 IonicContact OD1-NH2 3.6Å; D115-R118 PolarHBondContact OD1-NH2 2.86Å
116	A	88.5	Confident	88.9	Confident	20 Å²	20	62.3 Å²	62.3	17%	0.165	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-63.8	-25.5	173	0	0	0	0	0	112.9	I91 P92 L95 F113 R118	I91-A116 HydrophobicContact CB-CB 4.28Å; I91-A116 HydrophobicContact CG2-CB 3.57Å; P92-A116 HydrophobicContact CB-CB 4.42Å; P92-A116 HydrophobicContact CG-CB 3.86Å; L95-A116 HydrophobicContact CD1-CB 4.06Å; F113-A116 PolarHBondContact O-N 3.47Å; A116-R118 PolarHBondContact O-N 3.13Å
117	L	86.9	Confident	89	Confident	27 Å²	27	57.3 Å²	57.3	14%	0.141	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-71.2	-12.7	174.9	-68.6	167.1	0	0	0	113.9	L95 A102 C105 R106 F113 K114 D115 N119	L95-L117 HydrophobicContact CB-CD2 4.48Å; L95-L117 HydrophobicContact CD1-CD2 3.98Å; L95-L117 HydrophobicContact CD1-CG 4.14Å; A102-L117 HydrophobicContact CB-CD2 3.78Å; C105-L117 HydrophobicContact CB-CD1 4.08Å; C105-L117 WeakPolarHBondContact SG-CD1 3.38Å; R106-L117 HydrophobicContact CB-CD1 4.39Å; R106-L117 HydrophobicContact CG-CD1 3.55Å; R106-L117 HydrophobicContact CG-CD2 4.16Å; R106-L117 HydrophobicContact CG-CG 4.34Å; F113-L117 PolarHBondContact O-N 2.8Å; K114-L117 WeakPolarHBondContact O-CB 3.4Å; K114-L117 PolarHBondContact O-N 3.43Å; D115-L117 PolarHBondContact O-N 3.24Å; L117-N119 VanDerWaalsContact C-N 3.27Å; L117-N119 PolarHBondContact O-N 3.32Å
118	R	80.1	Confident	88.7	Confident	184 Å²	184	61.6 Å²	61.6	69%	0.694	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-72.1	-19.7	178.8	-57.8	179.8	-167.7	-153.1	7.3	113.1	D115 A116 P120	D115-R118 VanDerWaalsContact O-CB 3.29Å; D115-R118 WeakPolarHBondContact O-CB 3.34Å; D115-R118 WeakPolarHBondContact O-CG 3.31Å; D115-R118 PolarHBondContact O-N 3.28Å; D115-R118 VanDerWaalsContact O-N 3.09Å; D115-R118 IonicContact OD1-CZ 3.55Å; D115-R118 IonicContact OD1-NE 3.41Å; D115-R118 PolarHBondContact OD1-NE 2.76Å; D115-R118 IonicContact OD1-NH2 3.6Å; D115-R118 PolarHBondContact OD1-NH2 2.86Å; A116-R118 PolarHBondContact O-N 3.13Å; R118-P120 WeakPolarHBondContact O-CD 3.27Å
119	N	70.8	Confident	88.4	Confident	89 Å²	89	68.5 Å²	68.5	48%	0.476	36%	0.358	S	S	.	.			trans	-113	60.7	-178.6	-65.7	-22.4	0	0	0	112.5	L117 S121 L122	L117-N119 VanDerWaalsContact C-N 3.27Å; L117-N119 PolarHBondContact O-N 3.32Å; N119-S121 PolarHBondContact O-N 2.72Å; N119-L122 HydrophobicContact CB-CD1 4.06Å; N119-L122 HydrophobicContact CB-CG 4.38Å; N119-L122 PolarHBondContact O-N 2.88Å
120	P	65.9	Low	88.4	Confident	96 Å²	96	63.8 Å²	63.8	62%	0.623	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	1.9	-171.9	33.5	-39.7	0	0	0	114.7	R118	R118-P120 WeakPolarHBondContact O-CD 3.27Å
121	S	81.5	Confident	88.3	Confident	63 Å²	63	63.1 Å²	63.1	44%	0.441	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-21.2	179	49.9	0	0	0	0	113.7	N119 K134	N119-S121 PolarHBondContact O-N 2.72Å; S121-K134 WeakPolarHBondContact O-CB 3.4Å; S121-K134 WeakPolarHBondContact O-CD 3.24Å
122	L	92.7	Very high	88.1	Confident	35 Å²	35	64.6 Å²	64.6	18%	0.183	34%	0.338	C	S	.	.			trans	-69.1	143.1	-178	-66	177.7	0	0	0	111.7	P92 Y93 S96 N119	P92-L122 HydrophobicContact CB-CD1 3.86Å; P92-L122 HydrophobicContact CG-CD1 4.5Å; Y93-L122 HydrophobicContact CD1-CB 3.9Å; Y93-L122 HydrophobicContact CE1-CB 3.72Å; Y93-L122 HydrophobicContact CE1-CD1 4.46Å; Y93-L122 HydrophobicContact CE1-CD2 4.15Å; Y93-L122 HydrophobicContact CE1-CG 4.32Å; Y93-L122 HydrophobicContact CE2-CD1 4.36Å; Y93-L122 HydrophobicContact CG-CB 4.49Å; S96-L122 WeakPolarHBondContact CB-O 3.48Å; S96-L122 PolarHBondContact OG-O 3.13Å; N119-L122 HydrophobicContact CB-CD1 4.06Å; N119-L122 HydrophobicContact CB-CG 4.38Å; N119-L122 PolarHBondContact O-N 2.88Å
123	C	93.9	Very high	88	Confident	9 Å²	9	68.3 Å²	68.3	6%	0.061	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-155.3	153.6	-173.6	43.3	0	0	0	0	111.2	Y93 G125 E127 C130 K134 R135 F136	Y93-C123 VanDerWaalsContact CD1-O 3.31Å; Y93-C123 WeakPolarHBondContact CD1-O 3.36Å; C123-G125 VanDerWaalsContact C-N 3.28Å; C123-G125 PolarHBondContact O-N 3Å; C123-E127 HydrophobicContact CB-CG 4.49Å; C123-C130 HydrophobicContact CB-CB 3.79Å; C123-C130 WeakPolarHBondContact CB-SG 3.46Å; C123-C130 WeakPolarHBondContact SG-CA 3.27Å; C123-C130 WeakPolarHBondContact SG-CB 3.43Å; C123-C130 CovalentContact SG-SG 2.02Å; C123-C130 PolarHBondContact SG-SG 3.06Å; C123-K134 PolarHBondContact N-O 2.93Å; C123-K134 VanDerWaalsContact O-O 3.13Å; C123-R135 CarbonylContact O-C 3.56Å; C123-R135 VanDerWaalsContact O-CA 3.22Å; C123-R135 WeakPolarHBondContact O-CA 3.41Å; C123-F136 PolarHBondContact O-N 3.28Å
124	W	95.7	Very high	88	Confident	8 Å²	8	70.2 Å²	70.2	3%	0.03	36%	0.356	C	S	.	.			trans	-69.2	-29.1	-177	-68.6	101.5	0	0	0	112.5	H90 Y93 Y126 E127 F136 F165 H305 A388	H90-W124 HydrophobicContact CB-CH2 3.91Å; H90-W124 HydrophobicContact CB-CZ2 4.17Å; H90-W124 AromaticContact CG-CH2 3.75Å; H90-W124 AromaticContact ND1-CH2 3.89Å; Y93-W124 VanDerWaalsContact CB-CE2 3.44Å; Y93-W124 PolarHBondContact O-NE1 2.89Å; W124-Y126 HydrophobicContact CB-CD1 3.76Å; W124-Y126 HydrophobicContact CB-CE1 3.31Å; W124-Y126 HydrophobicContact CB-CE2 4.46Å; W124-Y126 AromaticContact CD1-CZ 3.8Å; W124-Y126 VanDerWaalsContact CD1-OH 3.3Å; W124-Y126 AromaticContact CG-CE1 3.8Å; W124-Y126 HydrophobicContact CG-CE1 3.8Å; W124-Y126 AromaticContact CG-CZ 3.89Å; W124-E127 VanDerWaalsContact N-CD 3.33Å; W124-E127 PolarHBondContact N-OE1 2.97Å; W124-E127 PolarHBondContact N-OE2 2.96Å; W124-F136 HydrophobicContact CE3-CB 3.9Å; W124-F136 HydrophobicContact CE3-CD2 4.02Å; W124-F136 HydrophobicContact CE3-CG 4.01Å; W124-F136 HydrophobicContact CH2-CD2 4.21Å; W124-F136 HydrophobicContact CH2-CE2 4.4Å; W124-F136 HydrophobicContact CZ3-CB 4.22Å; W124-F136 HydrophobicContact CZ3-CD1 4.48Å; W124-F136 AromaticContact CZ3-CD2 3.5Å; W124-F136 HydrophobicContact CZ3-CD2 3.5Å; W124-F136 VanDerWaalsContact CZ3-CD2 3.5Å; W124-F136 AromaticContact CZ3-CE2 3.96Å; W124-F136 HydrophobicContact CZ3-CE2 3.96Å; W124-F136 AromaticContact CZ3-CG 3.81Å; W124-F136 HydrophobicContact CZ3-CG 3.81Å; W124-F165 HydrophobicContact CB-CD1 4.25Å; W124-F165 HydrophobicContact CD2-CE1 4.21Å; W124-F165 HydrophobicContact CD2-CZ 4.42Å; W124-F165 HydrophobicContact CE3-CD1 4.05Å; W124-F165 HydrophobicContact CE3-CD2 4.32Å; W124-F165 AromaticContact CE3-CE1 3.48Å; W124-F165 HydrophobicContact CE3-CE1 3.48Å; W124-F165 VanDerWaalsContact CE3-CE1 3.48Å; W124-F165 AromaticContact CE3-CE2 3.76Å; W124-F165 HydrophobicContact CE3-CE2 3.76Å; W124-F165 HydrophobicContact CE3-CG 4.45Å; W124-F165 AromaticContact CE3-CZ 3.31Å; W124-F165 HydrophobicContact CE3-CZ 3.31Å; W124-F165 AromaticContact CZ3-CE1 3.94Å; W124-F165 HydrophobicContact CZ3-CE1 3.94Å; W124-F165 AromaticContact CZ3-CE2 3.98Å; W124-F165 HydrophobicContact CZ3-CE2 3.98Å; W124-F165 AromaticContact CZ3-CZ 3.41Å; W124-F165 HydrophobicContact CZ3-CZ 3.41Å; W124-F165 VanDerWaalsContact CZ3-CZ 3.41Å; W124-F165 VanDerWaalsContact O-CB 3.24Å; W124-F165 WeakPolarHBondContact O-CB 3.5Å; W124-H305 AromaticContact CD2-CE1 3.75Å; W124-H305 AromaticContact CE2-CE1 3.71Å; W124-H305 AromaticContact CE3-CE1 3.95Å; W124-H305 AromaticContact CZ2-CE1 3.87Å; W124-A388 HydrophobicContact CZ3-CB 4.27Å
125	G	95.1	Very high	88.2	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.346	C	S	.	.	S	Bend	trans	119.3	-18.1	178.2	0	0	0	0	0	114.1	C123 E127 C130 W160	C123-G125 VanDerWaalsContact C-N 3.28Å; C123-G125 PolarHBondContact O-N 3Å; G125-E127 PolarHBondContact N-OE2 3.35Å; G125-C130 VanDerWaalsContact CA-SG 3.52Å; G125-W160 VanDerWaalsContact O-CH2 3.32Å; G125-W160 WeakPolarHBondContact O-CH2 3.41Å; G125-W160 WeakPolarHBondContact O-CZ2 3.43Å
126	Y	95.9	Very high	88.5	Confident	22 Å²	22	64.1 Å²	64.1	9%	0.086	32%	0.324	C	S	.	.			trans	-85.7	-12.8	175.5	54.8	-108.9	0	0	0	113.4	N97 W124 F165 V168 L172 H305	N97-Y126 PolarHBondContact ND2-OH 3.21Å; N97-Y126 VanDerWaalsContact ND2-OH 3.07Å; W124-Y126 HydrophobicContact CB-CD1 3.76Å; W124-Y126 HydrophobicContact CB-CE1 3.31Å; W124-Y126 HydrophobicContact CB-CE2 4.46Å; W124-Y126 AromaticContact CD1-CZ 3.8Å; W124-Y126 VanDerWaalsContact CD1-OH 3.3Å; W124-Y126 AromaticContact CG-CE1 3.8Å; W124-Y126 HydrophobicContact CG-CE1 3.8Å; W124-Y126 AromaticContact CG-CZ 3.89Å; Y126-F165 HydrophobicContact CD1-CD1 4.29Å; Y126-F165 HydrophobicContact CE1-CD1 4.12Å; Y126-V168 HydrophobicContact CD1-CB 3.74Å; Y126-V168 HydrophobicContact CD1-CG1 3.54Å; Y126-V168 HydrophobicContact CD1-CG2 4.4Å; Y126-V168 HydrophobicContact CD2-CG1 4.44Å; Y126-V168 HydrophobicContact CE1-CB 4.34Å; Y126-V168 HydrophobicContact CE1-CG1 3.91Å; Y126-V168 HydrophobicContact CG-CB 4.27Å; Y126-V168 HydrophobicContact CG-CG1 3.83Å; Y126-L172 HydrophobicContact CD2-CD1 4.02Å; Y126-L172 HydrophobicContact CG-CD1 4.29Å; Y126-H305 HydrophobicContact CE1-CB 4.23Å; Y126-H305 AromaticContact CE1-ND1 3.62Å; Y126-H305 AromaticContact CZ-ND1 3.78Å; Y126-H305 PolarHBondContact OH-ND1 2.78Å; Y126-H305 VanDerWaalsContact OH-ND1 3.09Å
127	E	94.2	Very high	88.7	Confident	31 Å²	31	63.9 Å²	63.9	15%	0.145	32%	0.321	C	S	.	.	S	Bend	trans	-67.5	147.2	173.4	-54.3	90.9	149.7	0	0	111.5	C123 W124 G125 N129 C130	C123-E127 HydrophobicContact CB-CG 4.49Å; W124-E127 VanDerWaalsContact N-CD 3.33Å; W124-E127 PolarHBondContact N-OE1 2.97Å; W124-E127 PolarHBondContact N-OE2 2.96Å; G125-E127 PolarHBondContact N-OE2 3.35Å; E127-N129 VanDerWaalsContact C-N 3.28Å; E127-N129 PolarHBondContact O-N 2.93Å; E127-C130 HydrophobicContact CB-CB 4.46Å
128	K	87.5	Confident	89	Confident	206 Å²	206	66 Å²	66	90%	0.896	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-34.1	-171.5	-69.6	-172.9	175.5	-174.7	0	114.8
129	N	86.3	Confident	89.7	Confident	147 Å²	147	57.2 Å²	57.2	79%	0.786	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.3	58.8	-173.7	-59.9	12.4	0	0	0	109.6	E127	E127-N129 VanDerWaalsContact C-N 3.28Å; E127-N129 PolarHBondContact O-N 2.93Å
130	C	91.6	Very high	90.9	Very high	12 Å²	12	56.7 Å²	56.7	8%	0.081	29%	0.294	C	S	.	.			trans	-117.2	99.2	-179.5	-169.3	0	0	0	0	111.6	C123 G125 E127	C123-C130 HydrophobicContact CB-CB 3.79Å; C123-C130 WeakPolarHBondContact CB-SG 3.46Å; C123-C130 WeakPolarHBondContact SG-CA 3.27Å; C123-C130 WeakPolarHBondContact SG-CB 3.43Å; C123-C130 CovalentContact SG-SG 2.02Å; C123-C130 PolarHBondContact SG-SG 3.06Å; G125-C130 VanDerWaalsContact CA-SG 3.52Å; E127-C130 HydrophobicContact CB-CB 4.46Å
131	D	90.5	Very high	92.2	Very high	79 Å²	79	52.8 Å²	52.8	42%	0.422	27%	0.269	S	S	.	.			trans	-66.5	154.1	176.1	-46.2	-47.3	0	0	0	110.6	E133 K134 R135	D131-E133 VanDerWaalsContact C-N 3.28Å; D131-E133 WeakPolarHBondContact CB-OE2 2.99Å; D131-E133 PolarHBondContact O-N 3.35Å; D131-K134 HydrophobicContact CB-CD 4.06Å; D131-K134 PolarHBondContact O-N 3.43Å; D131-K134 WeakPolarHBondContact OD2-CE 3.5Å; D131-K134 IonicContact OD2-NZ 2.78Å; D131-K134 PolarHBondContact OD2-NZ 3.46Å; D131-R135 PolarHBondContact O-N 2.83Å
132	A	88.6	Confident	92.8	Very high	38 Å²	38	54.3 Å²	54.3	31%	0.314	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-61.6	-35.9	-170	0	0	0	0	0	113.1	K134 R135	A132-K134 PolarHBondContact O-N 2.91Å; A132-R135 PolarHBondContact O-N 3Å
133	E	89.6	Confident	92.8	Very high	163 Å²	163	59 Å²	59	76%	0.762	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-72.7	-11.8	-179.8	-46.5	81.3	177.5	0	0	113.2	D131	D131-E133 VanDerWaalsContact C-N 3.28Å; D131-E133 WeakPolarHBondContact CB-OE2 2.99Å; D131-E133 PolarHBondContact O-N 3.35Å
134	K	93.3	Very high	92.5	Very high	71 Å²	71	61.7 Å²	61.7	31%	0.309	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-104.1	-6.4	-179	-66.1	166.9	-174.5	170.4	0	113	S121 C123 D131 A132	S121-K134 WeakPolarHBondContact O-CB 3.4Å; S121-K134 WeakPolarHBondContact O-CD 3.24Å; C123-K134 PolarHBondContact N-O 2.93Å; C123-K134 VanDerWaalsContact O-O 3.13Å; D131-K134 HydrophobicContact CB-CD 4.06Å; D131-K134 PolarHBondContact O-N 3.43Å; D131-K134 WeakPolarHBondContact OD2-CE 3.5Å; D131-K134 IonicContact OD2-NZ 2.78Å; D131-K134 PolarHBondContact OD2-NZ 3.46Å; A132-K134 PolarHBondContact O-N 2.91Å
135	R	94.2	Very high	92.1	Very high	32 Å²	32	64.2 Å²	64.2	12%	0.121	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-66.2	155.4	177.9	-63.1	-179.3	-172.1	174.1	8.6	110.2	C123 D131 A132 S137 Y138 E157 W160	C123-R135 CarbonylContact O-C 3.56Å; C123-R135 VanDerWaalsContact O-CA 3.22Å; C123-R135 WeakPolarHBondContact O-CA 3.41Å; D131-R135 PolarHBondContact O-N 2.83Å; A132-R135 PolarHBondContact O-N 3Å; R135-S137 VanDerWaalsContact CB-O 3.25Å; R135-S137 WeakPolarHBondContact CB-O 3.44Å; R135-S137 PolarHBondContact O-N 3.28Å; R135-Y138 VanDerWaalsContact NH1-CE2 3.33Å; R135-E157 IonicContact NH1-OE2 2.79Å; R135-E157 PolarHBondContact NH1-OE2 2.9Å; R135-W160 VanDerWaalsContact NH1-CD2 3.34Å
136	F	94.9	Very high	91.6	Very high	14 Å²	14	69.7 Å²	69.7	6%	0.061	36%	0.363	C	S	.	.	S	Bend	trans	-56.1	-36.6	172	-176.7	-89.8	0	0	0	112.2	E89 H90 Y93 C123 W124 F165 A388	E89-F136 HydrophobicContact CG-CE2 4.2Å; H90-F136 AromaticContact CD2-CE2 3.67Å; H90-F136 AromaticContact NE2-CZ 3.95Å; Y93-F136 HydrophobicContact CD1-CB 4.21Å; Y93-F136 HydrophobicContact CD1-CD2 4.41Å; Y93-F136 AromaticContact CD2-CD2 3.75Å; Y93-F136 HydrophobicContact CD2-CD2 3.75Å; Y93-F136 HydrophobicContact CD2-CE2 4.35Å; Y93-F136 VanDerWaalsContact CE1-CA 3.47Å; Y93-F136 HydrophobicContact CE1-CB 3.98Å; Y93-F136 HydrophobicContact CE1-CD2 4.3Å; Y93-F136 AromaticContact CE2-CD2 3.6Å; Y93-F136 HydrophobicContact CE2-CD2 3.6Å; Y93-F136 HydrophobicContact CE2-CE2 4.17Å; Y93-F136 HydrophobicContact CG-CD2 4.16Å; Y93-F136 AromaticContact CZ-CD2 3.9Å; C123-F136 PolarHBondContact O-N 3.28Å; W124-F136 HydrophobicContact CE3-CB 3.9Å; W124-F136 HydrophobicContact CE3-CD2 4.02Å; W124-F136 HydrophobicContact CE3-CG 4.01Å; W124-F136 HydrophobicContact CH2-CD2 4.21Å; W124-F136 HydrophobicContact CH2-CE2 4.4Å; W124-F136 HydrophobicContact CZ3-CB 4.22Å; W124-F136 HydrophobicContact CZ3-CD1 4.48Å; W124-F136 AromaticContact CZ3-CD2 3.5Å; W124-F136 HydrophobicContact CZ3-CD2 3.5Å; W124-F136 VanDerWaalsContact CZ3-CD2 3.5Å; W124-F136 AromaticContact CZ3-CE2 3.96Å; W124-F136 HydrophobicContact CZ3-CE2 3.96Å; W124-F136 AromaticContact CZ3-CG 3.81Å; W124-F136 HydrophobicContact CZ3-CG 3.81Å; F136-F165 HydrophobicContact CB-CD2 4.23Å; F136-F165 HydrophobicContact CB-CE2 4.07Å; F136-F165 HydrophobicContact CD1-CD2 4.46Å; F136-F165 AromaticContact CD1-CE2 3.72Å; F136-F165 HydrophobicContact CD1-CE2 3.72Å; F136-F165 HydrophobicContact CE1-CE2 4.47Å; F136-F165 HydrophobicContact CG-CE2 4.02Å; F136-A388 HydrophobicContact CE1-CB 3.93Å; F136-A388 HydrophobicContact CZ-CB 4Å
137	S	92.9	Very high	91.2	Very high	15 Å²	15	72 Å²	72	11%	0.105	39%	0.394	C	S	.	.			trans	-152.5	160.8	178.1	54.4	0	0	0	0	109.6	R135 D164 G384	R135-S137 VanDerWaalsContact CB-O 3.25Å; R135-S137 WeakPolarHBondContact CB-O 3.44Å; R135-S137 PolarHBondContact O-N 3.28Å; S137-D164 PolarHBondContact OG-OD1 3.1Å; S137-D164 PolarHBondContact OG-OD2 2.97Å; S137-G384 VanDerWaalsContact CB-CA 3.49Å; S137-G384 WeakPolarHBondContact OG-CA 3.44Å
138	Y	93.4	Very high	90.9	Very high	72 Å²	72	74.6 Å²	74.6	28%	0.282	40%	0.402	S	S	.	.			trans	-137.9	138.9	159.6	-163.8	-117.6	0	0	0	109.2	R135 Q156 E157 W160	R135-Y138 VanDerWaalsContact NH1-CE2 3.33Å; Y138-Q156 HydrophobicContact CE1-CB 3.7Å; Y138-Q156 HydrophobicContact CE1-CG 4.46Å; Y138-E157 WeakPolarHBondContact OH-CA 3.47Å; Y138-E157 WeakPolarHBondContact OH-CB 3.37Å; Y138-E157 PolarHBondContact OH-N 2.98Å; Y138-W160 HydrophobicContact CD2-CB 4.38Å; Y138-W160 HydrophobicContact CD2-CG 4.14Å; Y138-W160 HydrophobicContact CE2-CB 4.02Å; Y138-W160 HydrophobicContact CE2-CG 4.04Å
139	P	95.1	Very high	91.1	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	36%	0.364	C	S	.	.			trans	-64.7	150.5	-173	-24	35.8	0	0	0	112.9	Q156 F159 W160 H381	P139-Q156 WeakPolarHBondContact O-CG 3.23Å; P139-Q156 PolarHBondContact O-NE2 3.45Å; P139-F159 HydrophobicContact CB-CB 4.24Å; P139-F159 HydrophobicContact CB-CD1 3.66Å; P139-F159 HydrophobicContact CB-CE1 4.31Å; P139-F159 HydrophobicContact CB-CG 4.12Å; P139-F159 HydrophobicContact CG-CB 4.25Å; P139-F159 HydrophobicContact CG-CD1 3.53Å; P139-F159 HydrophobicContact CG-CE1 4.31Å; P139-F159 HydrophobicContact CG-CG 4.26Å; P139-W160 HydrophobicContact CG-CB 3.76Å; P139-H381 CarbonylContact C-O 3.54Å; P139-H381 VanDerWaalsContact CA-O 3.29Å; P139-H381 WeakPolarHBondContact CA-O 3.44Å; P139-H381 WeakPolarHBondContact CB-O 3.47Å
140	V	95.1	Very high	91.4	Very high	78 Å²	78	70 Å²	70	47%	0.473	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	121.1	173.6	-179.4	0	0	0	0	108.8	C380 H381	V140-C380 CarbonylContact O-C 3.45Å; V140-C380 WeakPolarHBondContact O-CA 3.41Å; V140-H381 PolarHBondContact N-O 3.38Å; V140-H381 PolarHBondContact O-N 3.03Å; V140-H381 PolarHBondContact O-ND1 3.1Å
141	C	95.3	Very high	91.6	Very high	13 Å²	13	71.7 Å²	71.7	9%	0.088	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128.2	176.9	-60.1	0	0	0	0	109.9	L152 A155 Q156 D379 C380	C141-L152 HydrophobicContact CB-CD2 4.26Å; C141-A155 HydrophobicContact CB-CB 4.37Å; C141-Q156 HydrophobicContact CB-CG 3.94Å; C141-Q156 VanDerWaalsContact SG-CG 3.51Å; C141-D379 WeakPolarHBondContact CA-O 3.48Å; C141-C380 HydrophobicContact CB-CB 4.1Å; C141-C380 WeakPolarHBondContact CB-SG 3.44Å; C141-C380 WeakPolarHBondContact SG-CB 3.48Å; C141-C380 CovalentContact SG-SG 2.03Å; C141-C380 PolarHBondContact SG-SG 2.76Å
142	T	93.3	Very high	91.7	Very high	96 Å²	96	71.3 Å²	71.3	59%	0.589	38%	0.38	S	S	*	.	S	Bend	trans	-94.4	-19.3	-177.5	52.1	0	0	0	0	114.1	D379	T142-D379 PolarHBondContact N-O 2.64Å; T142-D379 PolarHBondContact OG1-O 2.96Å
143	K	91.5	Very high	92	Very high	133 Å²	133	75 Å²	75	58%	0.578	40%	0.395	S	S	*	.	S	Bend	trans	-145.5	153.2	-179.3	-62.3	179.9	-176.1	168.4	0	110.1	D379	K143-D379 HydrophobicContact CB-CB 3.9Å
144	V	89.2	Confident	92.3	Very high	65 Å²	65	69.3 Å²	69.3	39%	0.394	38%	0.375	S	S	.	.			trans	-95.4	127.6	171.1	-174.2	0	0	0	0	108.8	A149 L152	V144-A149 VanDerWaalsContact CG1-O 3.27Å; V144-A149 WeakPolarHBondContact CG1-O 3.36Å; V144-L152 HydrophobicContact CG2-CB 4.35Å; V144-L152 HydrophobicContact CG2-CD2 3.57Å; V144-L152 HydrophobicContact CG2-CG 3.62Å
145	N	87.6	Confident	92.4	Very high	61 Å²	61	66 Å²	66	33%	0.326	36%	0.361	S	S	.	.			trans	-103	118.1	165.5	-178.2	-21.1	0	0	0	108.3	G147 W148 A149 T378	N145-G147 PolarHBondContact O-N 3.32Å; N145-G147 PolarHBondContact OD1-N 3.45Å; N145-W148 PolarHBondContact O-N 3.02Å; N145-A149 PolarHBondContact O-N 3.33Å; N145-T378 VanDerWaalsContact CB-OG1 3.25Å; N145-T378 WeakPolarHBondContact CB-OG1 3.19Å; N145-T378 PolarHBondContact ND2-OG1 3.29Å
146	S	83.3	Confident	92.5	Very high	116 Å²	116	66.3 Å²	66.3	81%	0.811	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-19.5	-175.8	51.1	0	0	0	0	114.1	W148	S146-W148 VanDerWaalsContact C-N 3.26Å
147	G	87.5	Confident	92.5	Very high	70 Å²	70	68.1 Å²	68.1	72%	0.722	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-18	170.4	0	0	0	0	0	113.9	N145	N145-G147 PolarHBondContact O-N 3.32Å; N145-G147 PolarHBondContact OD1-N 3.45Å
148	W	87.7	Confident	92.6	Very high	85 Å²	85	69.7 Å²	69.7	32%	0.322	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-46.4	179.1	-73.2	95.2	0	0	0	113.2	N145 S146 L158 P375 V377	N145-W148 PolarHBondContact O-N 3.02Å; S146-W148 VanDerWaalsContact C-N 3.26Å; W148-L158 HydrophobicContact CE3-CD2 4.17Å; W148-L158 WeakPolarHBondContact O-CD2 3.33Å; W148-P375 HydrophobicContact CH2-CB 3.82Å; W148-P375 HydrophobicContact CZ3-CB 3.97Å; W148-V377 HydrophobicContact CB-CG1 3.87Å; W148-V377 HydrophobicContact CD2-CB 4.32Å; W148-V377 HydrophobicContact CD2-CG1 4.37Å; W148-V377 HydrophobicContact CD2-CG2 4.3Å; W148-V377 HydrophobicContact CE3-CB 4.22Å; W148-V377 HydrophobicContact CE3-CG2 3.73Å; W148-V377 HydrophobicContact CG-CG1 4.07Å; W148-V377 HydrophobicContact CZ3-CG2 4.19Å
149	A	92.1	Very high	92.7	Very high	11 Å²	11	66.3 Å²	66.3	9%	0.091	37%	0.366	C	S	.	.			trans	-151.4	158.9	-170.4	0	0	0	0	0	112.8	V144 N145 A154 A155	V144-A149 VanDerWaalsContact CG1-O 3.27Å; V144-A149 WeakPolarHBondContact CG1-O 3.36Å; N145-A149 PolarHBondContact O-N 3.33Å; A149-A154 HydrophobicContact CB-CB 4.1Å; A149-A155 HydrophobicContact CB-CB 3.82Å
150	R	92.8	Very high	92.8	Very high	247 Å²	247	66.3 Å²	66.3	93%	0.932	37%	0.366	S	S	*	.	S	Bend	trans	-92.2	-13.2	179.9	-62.7	-178.3	-178.1	171.1	0.6	114.2
151	S	95.1	Very high	92.8	Very high	47 Å²	47	66.3 Å²	66.3	33%	0.329	36%	0.36	S	S	.	.	S	Bend	trans	-154.1	169.8	-180	66.1	0	0	0	0	110.6	A154 A155	S151-A154 PolarHBondContact O-N 2.86Å; S151-A154 WeakPolarHBondContact OG-CB 3.46Å; S151-A154 PolarHBondContact OG-N 3.19Å; S151-A155 PolarHBondContact O-N 2.92Å
152	L	94.4	Very high	92.7	Very high	71 Å²	71	68 Å²	68	37%	0.372	37%	0.366	S	S	.	.	H	α-helix	trans	-63	-47.9	174.5	-72.2	172.5	0	0	0	111.1	C141 V144 A154 A155 Q156	C141-L152 HydrophobicContact CB-CD2 4.26Å; V144-L152 HydrophobicContact CG2-CB 4.35Å; V144-L152 HydrophobicContact CG2-CD2 3.57Å; V144-L152 HydrophobicContact CG2-CG 3.62Å; L152-A154 VanDerWaalsContact C-N 3.25Å; L152-A154 PolarHBondContact O-N 3.13Å; L152-A155 CarbonylContact O-C 3.51Å; L152-A155 WeakPolarHBondContact O-CA 3.46Å; L152-A155 WeakPolarHBondContact O-CB 3.33Å; L152-A155 PolarHBondContact O-N 3.01Å; L152-Q156 WeakPolarHBondContact O-CG 3.26Å; L152-Q156 PolarHBondContact O-N 3.16Å
153	D	94.3	Very high	92.7	Very high	116 Å²	116	63.5 Å²	63.5	62%	0.62	34%	0.338	S	S	*	.	H	α-helix	trans	-57.6	-39.8	178.9	-44.2	-23.5	0	0	0	112	Q156 E157	D153-Q156 PolarHBondContact O-N 3.33Å; D153-E157 PolarHBondContact O-N 3.3Å
154	A	95.4	Very high	92.9	Very high	42 Å²	42	57.1 Å²	57.1	35%	0.347	31%	0.311	S	S	.	.	H	α-helix	trans	-68.7	-34.8	176	0	0	0	0	0	112.3	A149 S151 L152 L158	A149-A154 HydrophobicContact CB-CB 4.1Å; S151-A154 PolarHBondContact O-N 2.86Å; S151-A154 WeakPolarHBondContact OG-CB 3.46Å; S151-A154 PolarHBondContact OG-N 3.19Å; L152-A154 VanDerWaalsContact C-N 3.25Å; L152-A154 PolarHBondContact O-N 3.13Å; A154-L158 WeakPolarHBondContact O-CB 3.27Å; A154-L158 PolarHBondContact O-N 3.41Å
155	A	95.6	Very high	93.3	Very high	1 Å²	1	54 Å²	54	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-67.2	-41.6	173	0	0	0	0	0	111.6	C141 A149 S151 L152 F159 V377	C141-A155 HydrophobicContact CB-CB 4.37Å; A149-A155 HydrophobicContact CB-CB 3.82Å; S151-A155 PolarHBondContact O-N 2.92Å; L152-A155 CarbonylContact O-C 3.51Å; L152-A155 WeakPolarHBondContact O-CA 3.46Å; L152-A155 WeakPolarHBondContact O-CB 3.33Å; L152-A155 PolarHBondContact O-N 3.01Å; A155-F159 WeakPolarHBondContact O-CB 3.21Å; A155-F159 PolarHBondContact O-N 2.99Å; A155-V377 HydrophobicContact CB-CG1 4.01Å
156	Q	95.5	Very high	93.7	Very high	39 Å²	39	51.1 Å²	51.1	18%	0.182	28%	0.277	C	S	.	.	H	α-helix	trans	-65.6	-48.4	178.2	-68	173.5	-80.8	0	0	112	Y138 P139 C141 L152 D153 L158 F159 W160	Y138-Q156 HydrophobicContact CE1-CB 3.7Å; Y138-Q156 HydrophobicContact CE1-CG 4.46Å; P139-Q156 WeakPolarHBondContact O-CG 3.23Å; P139-Q156 PolarHBondContact O-NE2 3.45Å; C141-Q156 HydrophobicContact CB-CG 3.94Å; C141-Q156 VanDerWaalsContact SG-CG 3.51Å; L152-Q156 WeakPolarHBondContact O-CG 3.26Å; L152-Q156 PolarHBondContact O-N 3.16Å; D153-Q156 PolarHBondContact O-N 3.33Å; Q156-L158 VanDerWaalsContact C-N 3.34Å; Q156-L158 PolarHBondContact O-N 3.15Å; Q156-F159 PolarHBondContact O-N 3.47Å; Q156-W160 VanDerWaalsContact O-CB 3.29Å; Q156-W160 WeakPolarHBondContact O-CB 3.4Å; Q156-W160 PolarHBondContact O-N 2.87Å
157	E	95.3	Very high	94.4	Very high	52 Å²	52	45.9 Å²	45.9	24%	0.243	24%	0.239	C	C	.	.	H	α-helix	trans	-67.7	-35	178.6	179.5	68.1	-177.6	0	0	111.2	R135 Y138 D153 W160 K161	R135-E157 IonicContact NH1-OE2 2.79Å; R135-E157 PolarHBondContact NH1-OE2 2.9Å; Y138-E157 WeakPolarHBondContact OH-CA 3.47Å; Y138-E157 WeakPolarHBondContact OH-CB 3.37Å; Y138-E157 PolarHBondContact OH-N 2.98Å; D153-E157 PolarHBondContact O-N 3.3Å; E157-W160 PolarHBondContact O-N 3.44Å; E157-K161 WeakPolarHBondContact O-CG 3.09Å; E157-K161 PolarHBondContact O-N 2.7Å; E157-K161 WeakPolarHBondContact OE1-CE 3.33Å; E157-K161 IonicContact OE1-NZ 3.85Å
158	L	95.6	Very high	94.9	Very high	49 Å²	49	42.5 Å²	42.5	26%	0.257	21%	0.205	S	C	.	.	H	α-helix	trans	-65.2	-48.2	174.4	-177.7	61.4	0	0	0	111.5	W148 A154 Q156 W160 K161 Q162 V377	W148-L158 HydrophobicContact CE3-CD2 4.17Å; W148-L158 WeakPolarHBondContact O-CD2 3.33Å; A154-L158 WeakPolarHBondContact O-CB 3.27Å; A154-L158 PolarHBondContact O-N 3.41Å; Q156-L158 VanDerWaalsContact C-N 3.34Å; Q156-L158 PolarHBondContact O-N 3.15Å; L158-W160 VanDerWaalsContact C-N 3.31Å; L158-W160 PolarHBondContact O-N 3.08Å; L158-K161 PolarHBondContact O-N 2.81Å; L158-Q162 HydrophobicContact CD1-CG 4.21Å; L158-Q162 WeakPolarHBondContact O-CB 3.43Å; L158-Q162 WeakPolarHBondContact O-CG 2.97Å; L158-Q162 PolarHBondContact O-N 2.65Å; L158-V377 HydrophobicContact CB-CG2 4.12Å; L158-V377 HydrophobicContact CD2-CG2 3.75Å; L158-V377 HydrophobicContact CG-CG2 3.74Å
159	F	95.8	Very high	95.3	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	20%	0.204	C	C	.	.	H	α-helix	trans	-59.4	-43.9	174.2	-171.3	-72.7	0	0	0	110.6	P139 A155 Q156 K161 Q162 A163 L376 V377 C380 T382	P139-F159 HydrophobicContact CB-CB 4.24Å; P139-F159 HydrophobicContact CB-CD1 3.66Å; P139-F159 HydrophobicContact CB-CE1 4.31Å; P139-F159 HydrophobicContact CB-CG 4.12Å; P139-F159 HydrophobicContact CG-CB 4.25Å; P139-F159 HydrophobicContact CG-CD1 3.53Å; P139-F159 HydrophobicContact CG-CE1 4.31Å; P139-F159 HydrophobicContact CG-CG 4.26Å; A155-F159 WeakPolarHBondContact O-CB 3.21Å; A155-F159 PolarHBondContact O-N 2.99Å; Q156-F159 PolarHBondContact O-N 3.47Å; F159-K161 VanDerWaalsContact C-N 3.34Å; F159-K161 PolarHBondContact O-N 3.03Å; F159-Q162 PolarHBondContact O-N 2.78Å; F159-A163 HydrophobicContact CD1-CB 3.96Å; F159-A163 HydrophobicContact CE1-CB 3.78Å; F159-A163 HydrophobicContact CG-CB 4.42Å; F159-A163 HydrophobicContact CZ-CB 4.13Å; F159-A163 WeakPolarHBondContact O-CA 3.07Å; F159-A163 WeakPolarHBondContact O-CB 3.39Å; F159-A163 PolarHBondContact O-N 2.9Å; F159-L376 HydrophobicContact CD2-CD1 4.37Å; F159-L376 HydrophobicContact CD2-CG 4.22Å; F159-L376 HydrophobicContact CE2-CD1 3.75Å; F159-L376 HydrophobicContact CE2-CD2 3.89Å; F159-L376 HydrophobicContact CE2-CG 3.57Å; F159-L376 HydrophobicContact CZ-CD1 3.95Å; F159-L376 HydrophobicContact CZ-CD2 4.29Å; F159-L376 HydrophobicContact CZ-CG 4.2Å; F159-V377 HydrophobicContact CB-CB 4.34Å; F159-V377 HydrophobicContact CB-CG2 4.15Å; F159-V377 HydrophobicContact CD2-CB 4.19Å; F159-C380 HydrophobicContact CB-CB 4.25Å; F159-C380 HydrophobicContact CD2-CB 3.28Å; F159-C380 HydrophobicContact CE2-CB 3.71Å; F159-C380 HydrophobicContact CG-CB 3.91Å; F159-T382 HydrophobicContact CE1-CG2 3.68Å; F159-T382 HydrophobicContact CZ-CG2 4.42Å
160	W	96.1	Very high	95.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.8	-41	-179.8	179.7	76.8	0	0	0	112.4	G125 R135 Y138 P139 Q156 E157 L158 D164 G166 K169	G125-W160 VanDerWaalsContact O-CH2 3.32Å; G125-W160 WeakPolarHBondContact O-CH2 3.41Å; G125-W160 WeakPolarHBondContact O-CZ2 3.43Å; R135-W160 VanDerWaalsContact NH1-CD2 3.34Å; Y138-W160 HydrophobicContact CD2-CB 4.38Å; Y138-W160 HydrophobicContact CD2-CG 4.14Å; Y138-W160 HydrophobicContact CE2-CB 4.02Å; Y138-W160 HydrophobicContact CE2-CG 4.04Å; P139-W160 HydrophobicContact CG-CB 3.76Å; Q156-W160 VanDerWaalsContact O-CB 3.29Å; Q156-W160 WeakPolarHBondContact O-CB 3.4Å; Q156-W160 PolarHBondContact O-N 2.87Å; E157-W160 PolarHBondContact O-N 3.44Å; L158-W160 VanDerWaalsContact C-N 3.31Å; L158-W160 PolarHBondContact O-N 3.08Å; W160-D164 HydrophobicContact CG-CB 4.4Å; W160-D164 CarbonylContact O-C 3.5Å; W160-D164 PolarHBondContact O-N 3.22Å; W160-G166 VanDerWaalsContact CE2-N 3.34Å; W160-G166 WeakPolarHBondContact O-CA 3.49Å; W160-G166 PolarHBondContact O-N 3.01Å; W160-G166 VanDerWaalsContact O-N 3.15Å; W160-K169 HydrophobicContact CH2-CD 3.71Å; W160-K169 HydrophobicContact CZ3-CD 4.17Å
161	K	95.1	Very high	95.7	Very high	78 Å²	78	33.7 Å²	33.7	34%	0.339	17%	0.173	S	C	.	.	H	α-helix	trans	-68.4	-34.1	174.7	-73.5	-179.8	-174.8	-179.9	0	114.2	E157 L158 F159 G166 Y167 E170	E157-K161 WeakPolarHBondContact O-CG 3.09Å; E157-K161 PolarHBondContact O-N 2.7Å; E157-K161 WeakPolarHBondContact OE1-CE 3.33Å; E157-K161 IonicContact OE1-NZ 3.85Å; L158-K161 PolarHBondContact O-N 2.81Å; F159-K161 VanDerWaalsContact C-N 3.34Å; F159-K161 PolarHBondContact O-N 3.03Å; K161-G166 CarbonylContact O-C 3.57Å; K161-Y167 WeakPolarHBondContact O-CA 3.47Å; K161-Y167 PolarHBondContact O-N 2.96Å; K161-E170 HydrophobicContact CB-CG 4.38Å
162	Q	92.9	Very high	95.8	Very high	49 Å²	49	34.1 Å²	34.1	23%	0.229	17%	0.172	C	C	.	.	H	α-helix	trans	-92.5	-27.6	-173.4	-69.9	177.7	-30	0	0	113.6	L158 F159 Y167 P375	L158-Q162 HydrophobicContact CD1-CG 4.21Å; L158-Q162 WeakPolarHBondContact O-CB 3.43Å; L158-Q162 WeakPolarHBondContact O-CG 2.97Å; L158-Q162 PolarHBondContact O-N 2.65Å; F159-Q162 PolarHBondContact O-N 2.78Å; Q162-Y167 WeakPolarHBondContact O-CD2 3.22Å; Q162-P375 HydrophobicContact CB-CG 4.47Å; Q162-P375 HydrophobicContact CG-CG 4.33Å; Q162-P375 PolarHBondContact OE1-O 3.46Å; Q162-P375 VanDerWaalsContact OE1-O 3.1Å
163	A	94	Very high	95.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-139.4	2.7	-163	0	0	0	0	0	115.5	F159 L370 T374 L376 L504	F159-A163 HydrophobicContact CD1-CB 3.96Å; F159-A163 HydrophobicContact CE1-CB 3.78Å; F159-A163 HydrophobicContact CG-CB 4.42Å; F159-A163 HydrophobicContact CZ-CB 4.13Å; F159-A163 WeakPolarHBondContact O-CA 3.07Å; F159-A163 WeakPolarHBondContact O-CB 3.39Å; F159-A163 PolarHBondContact O-N 2.9Å; A163-L370 HydrophobicContact CB-CD1 4.36Å; A163-T374 HydrophobicContact CB-CG2 4.32Å; A163-L376 HydrophobicContact CB-CD1 3.43Å; A163-L376 VanDerWaalsContact CB-CD1 3.43Å; A163-L504 HydrophobicContact CB-CD2 3.55Å; A163-L504 WeakPolarHBondContact O-CD2 3.27Å
164	D	96.1	Very high	96.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-133	-162	177.8	-152.6	-19.3	0	0	0	111.2	S137 W160 G166 Y167 T382 G384 M385	S137-D164 PolarHBondContact OG-OD1 3.1Å; S137-D164 PolarHBondContact OG-OD2 2.97Å; W160-D164 HydrophobicContact CG-CB 4.4Å; W160-D164 CarbonylContact O-C 3.5Å; W160-D164 PolarHBondContact O-N 3.22Å; D164-G166 PolarHBondContact O-N 2.58Å; D164-Y167 WeakPolarHBondContact O-CB 3.37Å; D164-Y167 PolarHBondContact O-N 3.08Å; D164-T382 HydrophobicContact CB-CG2 4.37Å; D164-T382 WeakPolarHBondContact OD2-CB 3.31Å; D164-T382 PolarHBondContact OD2-OG1 3.04Å; D164-G384 VanDerWaalsContact OD1-CA 3.31Å; D164-G384 WeakPolarHBondContact OD1-CA 3.47Å; D164-M385 PolarHBondContact OD1-N 3.21Å
165	F	97.3	Very high	96.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-17.4	177.2	-73.6	-73.2	0	0	0	115.1	W124 Y126 F136 Y167 V168 K169 H305 M385 A388	W124-F165 HydrophobicContact CB-CD1 4.25Å; W124-F165 HydrophobicContact CD2-CE1 4.21Å; W124-F165 HydrophobicContact CD2-CZ 4.42Å; W124-F165 HydrophobicContact CE3-CD1 4.05Å; W124-F165 HydrophobicContact CE3-CD2 4.32Å; W124-F165 AromaticContact CE3-CE1 3.48Å; W124-F165 HydrophobicContact CE3-CE1 3.48Å; W124-F165 VanDerWaalsContact CE3-CE1 3.48Å; W124-F165 AromaticContact CE3-CE2 3.76Å; W124-F165 HydrophobicContact CE3-CE2 3.76Å; W124-F165 HydrophobicContact CE3-CG 4.45Å; W124-F165 AromaticContact CE3-CZ 3.31Å; W124-F165 HydrophobicContact CE3-CZ 3.31Å; W124-F165 AromaticContact CZ3-CE1 3.94Å; W124-F165 HydrophobicContact CZ3-CE1 3.94Å; W124-F165 AromaticContact CZ3-CE2 3.98Å; W124-F165 HydrophobicContact CZ3-CE2 3.98Å; W124-F165 AromaticContact CZ3-CZ 3.41Å; W124-F165 HydrophobicContact CZ3-CZ 3.41Å; W124-F165 VanDerWaalsContact CZ3-CZ 3.41Å; W124-F165 VanDerWaalsContact O-CB 3.24Å; W124-F165 WeakPolarHBondContact O-CB 3.5Å; Y126-F165 HydrophobicContact CD1-CD1 4.29Å; Y126-F165 HydrophobicContact CE1-CD1 4.12Å; F136-F165 HydrophobicContact CB-CD2 4.23Å; F136-F165 HydrophobicContact CB-CE2 4.07Å; F136-F165 HydrophobicContact CD1-CD2 4.46Å; F136-F165 AromaticContact CD1-CE2 3.72Å; F136-F165 HydrophobicContact CD1-CE2 3.72Å; F136-F165 HydrophobicContact CE1-CE2 4.47Å; F136-F165 HydrophobicContact CG-CE2 4.02Å; F165-Y167 PolarHBondContact O-N 2.91Å; F165-V168 WeakPolarHBondContact O-CB 3.45Å; F165-V168 PolarHBondContact O-N 3.08Å; F165-K169 PolarHBondContact O-N 2.71Å; F165-H305 AromaticContact CE1-CE1 3.58Å; F165-H305 AromaticContact CE1-NE2 3.53Å; F165-M385 HydrophobicContact CD1-CE 3.35Å; F165-M385 HydrophobicContact CD1-SD 4.36Å; F165-M385 HydrophobicContact CE1-CE 3.42Å; F165-M385 VanDerWaalsContact CE1-CE 3.42Å; F165-M385 HydrophobicContact CE1-SD 3.84Å; F165-M385 HydrophobicContact CG-CE 4Å; F165-M385 HydrophobicContact CZ-CE 4.15Å; F165-M385 HydrophobicContact CZ-SD 4.13Å; F165-A388 HydrophobicContact CE2-CB 4.23Å; F165-A388 HydrophobicContact CZ-CB 3.77Å
166	G	96.5	Very high	96.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.7	-28.7	167.3	0	0	0	0	0	112.7	W160 K161 D164 V168 K169 E170	W160-G166 VanDerWaalsContact CE2-N 3.34Å; W160-G166 WeakPolarHBondContact O-CA 3.49Å; W160-G166 PolarHBondContact O-N 3.01Å; W160-G166 VanDerWaalsContact O-N 3.15Å; K161-G166 CarbonylContact O-C 3.57Å; D164-G166 PolarHBondContact O-N 2.58Å; G166-V168 VanDerWaalsContact C-N 3.31Å; G166-V168 PolarHBondContact O-N 2.82Å; G166-K169 WeakPolarHBondContact O-CA 3.42Å; G166-K169 VanDerWaalsContact O-CB 3.24Å; G166-K169 WeakPolarHBondContact O-CB 3.37Å; G166-K169 PolarHBondContact O-N 2.95Å; G166-E170 WeakPolarHBondContact O-CG 3.36Å; G166-E170 PolarHBondContact O-N 3.22Å
167	Y	96.8	Very high	96.4	Very high	5 Å²	5	37 Å²	37	2%	0.02	19%	0.187	C	C	.	.	H	α-helix	trans	-59.1	-41.7	173.7	-170.5	-90.2	0	0	0	112	K161 Q162 D164 F165 K169 E170 R171 I302 L362 Y368 L370	K161-Y167 WeakPolarHBondContact O-CA 3.47Å; K161-Y167 PolarHBondContact O-N 2.96Å; Q162-Y167 WeakPolarHBondContact O-CD2 3.22Å; D164-Y167 WeakPolarHBondContact O-CB 3.37Å; D164-Y167 PolarHBondContact O-N 3.08Å; F165-Y167 PolarHBondContact O-N 2.91Å; Y167-K169 VanDerWaalsContact C-N 3.32Å; Y167-K169 PolarHBondContact O-N 3.49Å; Y167-E170 PolarHBondContact O-N 3.11Å; Y167-R171 HydrophobicContact CD1-CG 4.02Å; Y167-R171 HydrophobicContact CE1-CG 3.72Å; Y167-R171 VanDerWaalsContact CZ-NH1 3.34Å; Y167-R171 WeakPolarHBondContact O-CG 3.3Å; Y167-R171 PolarHBondContact O-N 2.81Å; Y167-R171 PolarHBondContact O-NH1 2.96Å; Y167-I302 HydrophobicContact CD1-CG2 4.14Å; Y167-I302 HydrophobicContact CE1-CG2 4.47Å; Y167-L362 HydrophobicContact CE1-CD1 4.12Å; Y167-Y368 PolarHBondContact OH-O 3.2Å; Y167-L370 HydrophobicContact CE1-CB 4.45Å; Y167-L370 HydrophobicContact CE2-CB 4.47Å; Y167-L370 HydrophobicContact CG-CD2 4.35Å
168	V	97.6	Very high	96.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.3	-42.2	174.5	177.2	0	0	0	0	110.3	Y126 F165 G166 E170 R171 L172 I302 H305 I306 M385	Y126-V168 HydrophobicContact CD1-CB 3.74Å; Y126-V168 HydrophobicContact CD1-CG1 3.54Å; Y126-V168 HydrophobicContact CD1-CG2 4.4Å; Y126-V168 HydrophobicContact CD2-CG1 4.44Å; Y126-V168 HydrophobicContact CE1-CB 4.34Å; Y126-V168 HydrophobicContact CE1-CG1 3.91Å; Y126-V168 HydrophobicContact CG-CB 4.27Å; Y126-V168 HydrophobicContact CG-CG1 3.83Å; F165-V168 WeakPolarHBondContact O-CB 3.45Å; F165-V168 PolarHBondContact O-N 3.08Å; G166-V168 VanDerWaalsContact C-N 3.31Å; G166-V168 PolarHBondContact O-N 2.82Å; V168-E170 PolarHBondContact O-N 2.79Å; V168-R171 PolarHBondContact O-N 3.44Å; V168-L172 HydrophobicContact CG1-CD1 3.82Å; V168-L172 HydrophobicContact CG1-CG 4.21Å; V168-L172 WeakPolarHBondContact O-CB 3.39Å; V168-L172 VanDerWaalsContact O-CG 3.28Å; V168-L172 WeakPolarHBondContact O-CG 3.11Å; V168-L172 PolarHBondContact O-N 2.79Å; V168-I302 HydrophobicContact CG2-CG2 3.94Å; V168-H305 HydrophobicContact CG1-CB 4.05Å; V168-H305 HydrophobicContact CG2-CB 3.96Å; V168-I306 HydrophobicContact CG1-CG1 3.97Å; V168-M385 HydrophobicContact CG2-CE 3.55Å
169	K	97	Very high	96.7	Very high	72 Å²	72	32.3 Å²	32.3	31%	0.313	16%	0.164	S	C	.	.	H	α-helix	trans	-59.5	-44.7	177.5	-167.3	176.5	-177.8	167.8	0	112	W160 F165 G166 Y167 L172 S173	W160-K169 HydrophobicContact CH2-CD 3.71Å; W160-K169 HydrophobicContact CZ3-CD 4.17Å; F165-K169 PolarHBondContact O-N 2.71Å; G166-K169 WeakPolarHBondContact O-CA 3.42Å; G166-K169 VanDerWaalsContact O-CB 3.24Å; G166-K169 WeakPolarHBondContact O-CB 3.37Å; G166-K169 PolarHBondContact O-N 2.95Å; Y167-K169 VanDerWaalsContact C-N 3.32Å; Y167-K169 PolarHBondContact O-N 3.49Å; K169-L172 PolarHBondContact O-N 2.95Å; K169-S173 WeakPolarHBondContact O-CB 3.25Å; K169-S173 PolarHBondContact O-N 2.82Å
170	E	96.3	Very high	96.8	Very high	64 Å²	64	39.1 Å²	39.1	30%	0.299	19%	0.194	S	C	.	.	H	α-helix	trans	-64.6	-46.9	177.3	-61.4	-63.3	131.1	0	0	110.7	K161 G166 Y167 V168 L172 S173 E174	K161-E170 HydrophobicContact CB-CG 4.38Å; G166-E170 WeakPolarHBondContact O-CG 3.36Å; G166-E170 PolarHBondContact O-N 3.22Å; Y167-E170 PolarHBondContact O-N 3.11Å; V168-E170 PolarHBondContact O-N 2.79Å; E170-L172 VanDerWaalsContact C-N 3.31Å; E170-L172 PolarHBondContact O-N 3.42Å; E170-S173 PolarHBondContact O-N 3.42Å; E170-S173 VanDerWaalsContact O-N 3.1Å; E170-S173 PolarHBondContact O-OG 2.99Å; E170-E174 WeakPolarHBondContact O-CG 3.37Å; E170-E174 PolarHBondContact O-N 3.08Å; E170-E174 VanDerWaalsContact O-N 3.15Å
171	R	96.7	Very high	96.8	Very high	21 Å²	21	40.9 Å²	40.9	8%	0.079	21%	0.208	C	C	.	.	H	α-helix	trans	-61.5	-36.7	175.9	-60.8	-55.7	73.9	65.3	-3.2	113	Y167 V168 E174 I306 L362	Y167-R171 HydrophobicContact CD1-CG 4.02Å; Y167-R171 HydrophobicContact CE1-CG 3.72Å; Y167-R171 VanDerWaalsContact CZ-NH1 3.34Å; Y167-R171 WeakPolarHBondContact O-CG 3.3Å; Y167-R171 PolarHBondContact O-N 2.81Å; Y167-R171 PolarHBondContact O-NH1 2.96Å; V168-R171 PolarHBondContact O-N 3.44Å; R171-E174 IonicContact CZ-OE1 3.43Å; R171-E174 IonicContact CZ-OE2 3.81Å; R171-E174 IonicContact NE-OE1 3.36Å; R171-E174 PolarHBondContact NE-OE1 3.1Å; R171-E174 IonicContact NE-OE2 3.53Å; R171-E174 PolarHBondContact NE-OE2 2.96Å; R171-E174 IonicContact NH2-OE1 2.7Å; R171-E174 PolarHBondContact NH2-OE1 3.12Å; R171-E174 IonicContact NH2-OE2 2.94Å; R171-E174 PolarHBondContact O-N 3.41Å; R171-I306 HydrophobicContact CB-CD1 3.64Å; R171-I306 HydrophobicContact CB-CG1 4.22Å; R171-I306 HydrophobicContact CG-CD1 3.9Å; R171-L362 HydrophobicContact CG-CD2 4.46Å
172	L	97.3	Very high	96.7	Very high	56 Å²	56	40.4 Å²	40.4	29%	0.293	23%	0.226	S	C	.	.	H	α-helix	trans	-67.6	-35.5	174.6	-76.3	172.2	0	0	0	112.4	Y126 V168 K169 E170 E174 L175 I306	Y126-L172 HydrophobicContact CD2-CD1 4.02Å; Y126-L172 HydrophobicContact CG-CD1 4.29Å; V168-L172 HydrophobicContact CG1-CD1 3.82Å; V168-L172 HydrophobicContact CG1-CG 4.21Å; V168-L172 WeakPolarHBondContact O-CB 3.39Å; V168-L172 VanDerWaalsContact O-CG 3.28Å; V168-L172 WeakPolarHBondContact O-CG 3.11Å; V168-L172 PolarHBondContact O-N 2.79Å; K169-L172 PolarHBondContact O-N 2.95Å; E170-L172 VanDerWaalsContact C-N 3.31Å; E170-L172 PolarHBondContact O-N 3.42Å; L172-E174 VanDerWaalsContact C-N 3.3Å; L172-L175 HydrophobicContact CD2-CD1 3.82Å; L172-L175 WeakPolarHBondContact O-CB 3.47Å; L172-L175 PolarHBondContact O-N 2.8Å; L172-I306 HydrophobicContact CD2-CG2 4Å
173	S	97.1	Very high	96.7	Very high	87 Å²	87	44 Å²	44	61%	0.608	24%	0.243	S	C	*	.	H	α-helix	trans	-71.1	-26.4	178.5	78.7	0	0	0	0	113.1	K169 E170 L175	K169-S173 WeakPolarHBondContact O-CB 3.25Å; K169-S173 PolarHBondContact O-N 2.82Å; E170-S173 PolarHBondContact O-N 3.42Å; E170-S173 VanDerWaalsContact O-N 3.1Å; E170-S173 PolarHBondContact O-OG 2.99Å; S173-L175 VanDerWaalsContact C-N 3.33Å
174	E	97.1	Very high	96.5	Very high	45 Å²	45	50.5 Å²	50.5	21%	0.21	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-12.6	176.1	-69.4	168.7	175.1	0	0	113.8	E170 R171 L172 K176 S193	E170-E174 WeakPolarHBondContact O-CG 3.37Å; E170-E174 PolarHBondContact O-N 3.08Å; E170-E174 VanDerWaalsContact O-N 3.15Å; R171-E174 IonicContact CZ-OE1 3.43Å; R171-E174 IonicContact CZ-OE2 3.81Å; R171-E174 IonicContact NE-OE1 3.36Å; R171-E174 PolarHBondContact NE-OE1 3.1Å; R171-E174 IonicContact NE-OE2 3.53Å; R171-E174 PolarHBondContact NE-OE2 2.96Å; R171-E174 IonicContact NH2-OE1 2.7Å; R171-E174 PolarHBondContact NH2-OE1 3.12Å; R171-E174 IonicContact NH2-OE2 2.94Å; R171-E174 PolarHBondContact O-N 3.41Å; L172-E174 VanDerWaalsContact C-N 3.3Å; E174-K176 PolarHBondContact O-N 3.43Å; E174-S193 WeakPolarHBondContact CG-OG 3.42Å
175	L	97.4	Very high	96.1	Very high	63 Å²	63	51.8 Å²	51.8	33%	0.33	30%	0.298	S	S	.	.			trans	-65.4	104.3	-173.3	-75.6	177.2	0	0	0	112.7	L172 S173 C191 F197	L172-L175 HydrophobicContact CD2-CD1 3.82Å; L172-L175 WeakPolarHBondContact O-CB 3.47Å; L172-L175 PolarHBondContact O-N 2.8Å; S173-L175 VanDerWaalsContact C-N 3.33Å; L175-C191 WeakPolarHBondContact CA-O 3.36Å; L175-F197 HydrophobicContact CD2-CD1 4.02Å; L175-F197 HydrophobicContact CD2-CE1 4.37Å
176	K	97.6	Very high	96	Very high	68 Å²	68	52.3 Å²	52.3	30%	0.296	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	147.1	172.5	54.6	172.8	170.4	169.9	0	112.1	E174 L178 K190 C191 A237 E241	E174-K176 PolarHBondContact O-N 3.43Å; K176-L178 HydrophobicContact CD-CD2 3.81Å; K176-L178 HydrophobicContact CG-CD2 3.98Å; K176-L178 PolarHBondContact O-N 2.85Å; K176-K190 CarbonylContact O-C 3.59Å; K176-K190 WeakPolarHBondContact O-CA 3.4Å; K176-C191 WeakPolarHBondContact CG-O 3.45Å; K176-C191 PolarHBondContact N-O 3.3Å; K176-C191 PolarHBondContact O-N 3.3Å; K176-A237 PolarHBondContact NZ-O 2.97Å; K176-E241 WeakPolarHBondContact CE-OE1 3.3Å; K176-E241 WeakPolarHBondContact CE-OE2 3.48Å; K176-E241 IonicContact NZ-OE1 2.63Å; K176-E241 PolarHBondContact NZ-OE1 3.14Å; K176-E241 IonicContact NZ-OE2 3.8Å
177	T	98.3	Very high	96.1	Very high	67 Å²	67	52.3 Å²	52.3	41%	0.411	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	113.6	173.2	-56.4	0	0	0	0	109.2	C179 K180 K190	T177-C179 WeakPolarHBondContact CG2-O 3.46Å; T177-K180 HydrophobicContact CG2-CB 4.01Å; T177-K180 HydrophobicContact CG2-CG 4.45Å; T177-K190 HydrophobicContact CG2-CG 4.29Å; T177-K190 WeakPolarHBondContact OG1-CE 3.15Å
178	L	98.4	Very high	96.2	Very high	2 Å²	2	53 Å²	53	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-38.9	177.6	-60.5	-174.8	0	0	0	111.4	K176 L189 C191 N234 A237 L238 E241	K176-L178 HydrophobicContact CD-CD2 3.81Å; K176-L178 HydrophobicContact CG-CD2 3.98Å; K176-L178 PolarHBondContact O-N 2.85Å; L178-L189 HydrophobicContact CB-CD2 4.27Å; L178-L189 HydrophobicContact CB-CG 4.39Å; L178-L189 HydrophobicContact CD1-CD2 4.44Å; L178-L189 PolarHBondContact N-O 2.89Å; L178-C191 HydrophobicContact CD1-CB 3.84Å; L178-C191 HydrophobicContact CG-CB 4.43Å; L178-N234 PolarHBondContact O-N 3.47Å; L178-A237 HydrophobicContact CD2-CB 4.07Å; L178-L238 HydrophobicContact CD1-CB 4.46Å; L178-L238 HydrophobicContact CD1-CD1 3.86Å; L178-E241 HydrophobicContact CD1-CG 4.34Å
179	C	98.4	Very high	96.2	Very high	0 Å²	0	53 Å²	53	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	124	171.6	-150.1	0	0	0	0	110.4	T177 S188 L189 C231 K232 L233 Y258	T177-C179 WeakPolarHBondContact CG2-O 3.46Å; C179-S188 WeakPolarHBondContact O-CA 3.35Å; C179-L189 HydrophobicContact CB-CB 3.77Å; C179-L189 PolarHBondContact N-O 3.21Å; C179-L189 PolarHBondContact O-N 3.38Å; C179-C231 HydrophobicContact CB-CB 4.03Å; C179-C231 WeakPolarHBondContact CB-SG 3.45Å; C179-C231 WeakPolarHBondContact SG-CB 3.2Å; C179-C231 PolarHBondContact SG-O 3.03Å; C179-C231 VanDerWaalsContact SG-O 3.33Å; C179-C231 CovalentContact SG-SG 2.03Å; C179-C231 PolarHBondContact SG-SG 3.47Å; C179-K232 WeakPolarHBondContact CA-O 3.5Å; C179-L233 HydrophobicContact CB-CD1 3.88Å; C179-Y258 HydrophobicContact CB-CE1 4.01Å
180	K	98.3	Very high	96.3	Very high	144 Å²	144	54.3 Å²	54.3	63%	0.626	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	122.6	-173	-170.8	-168.5	172.6	-172.9	0	111	T177 K232	T177-K180 HydrophobicContact CG2-CB 4.01Å; T177-K180 HydrophobicContact CG2-CG 4.45Å; K180-K232 PolarHBondContact N-O 3.12Å; K180-K232 PolarHBondContact O-N 3.08Å
181	A	97.1	Very high	96.4	Very high	37 Å²	37	51.3 Å²	51.3	31%	0.306	30%	0.298	S	S	.	.			trans	-55	136.3	167.5	0	0	0	0	0	111.5	D186 S187	A181-D186 HydrophobicContact CB-CB 3.72Å; A181-S187 WeakPolarHBondContact CA-O 3.44Å; A181-S187 WeakPolarHBondContact CB-O 3.48Å; A181-S187 PolarHBondContact N-O 2.92Å
182	G	93.4	Very high	96.4	Very high	69 Å²	69	50.3 Å²	50.3	71%	0.711	29%	0.294	S	S	*	.	S	Bend	trans	-87.2	-49.3	169.6	0	0	0	0	0	111.5	D186	G182-D186 VanDerWaalsContact CA-OD2 3.25Å; G182-D186 WeakPolarHBondContact CA-OD2 3.46Å; G182-D186 PolarHBondContact N-OD2 3.23Å
183	E	93.1	Very high	96.4	Very high	125 Å²	125	49.3 Å²	49.3	58%	0.584	29%	0.292	S	S	*	.	S	Bend	trans	-123.1	164	-174.7	-64.1	-170.4	170.8	0	0	113	G185 D186	E183-G185 PolarHBondContact O-N 3.16Å; E183-D186 PolarHBondContact N-OD2 2.68Å; E183-D186 VanDerWaalsContact O-CB 3.28Å; E183-D186 WeakPolarHBondContact O-CB 3.16Å; E183-D186 PolarHBondContact O-N 3.04Å; E183-D186 VanDerWaalsContact O-N 3.13Å
184	P	88.9	Confident	96.4	Very high	135 Å²	135	46.8 Å²	46.8	88%	0.877	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	126.7	168.1	-20.4	33.5	0	0	0	111.1
185	G	87	Confident	96.4	Very high	28 Å²	28	44.6 Å²	44.6	29%	0.289	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.8	-18	-173.3	0	0	0	0	0	113.5	E183 N202	E183-G185 PolarHBondContact O-N 3.16Å; G185-N202 PolarHBondContact O-ND2 3.28Å
186	D	95.9	Very high	96.4	Very high	11 Å²	11	42.1 Å²	42.1	6%	0.059	25%	0.247	C	C	.	.			trans	-63.7	162.7	172.5	-79.6	-4.9	0	0	0	112.7	A181 G182 E183 N202 H230	A181-D186 HydrophobicContact CB-CB 3.72Å; G182-D186 VanDerWaalsContact CA-OD2 3.25Å; G182-D186 WeakPolarHBondContact CA-OD2 3.46Å; G182-D186 PolarHBondContact N-OD2 3.23Å; E183-D186 PolarHBondContact N-OD2 2.68Å; E183-D186 VanDerWaalsContact O-CB 3.28Å; E183-D186 WeakPolarHBondContact O-CB 3.16Å; E183-D186 PolarHBondContact O-N 3.04Å; E183-D186 VanDerWaalsContact O-N 3.13Å; D186-N202 PolarHBondContact O-ND2 3.45Å; D186-H230 VanDerWaalsContact CB-O 3.31Å; D186-H230 WeakPolarHBondContact CB-O 3.36Å; D186-H230 IonicContact OD1-CE1 2.79Å; D186-H230 IonicContact OD1-CG 3.32Å; D186-H230 IonicContact OD1-ND1 2.76Å; D186-H230 PolarHBondContact OD1-ND1 3.47Å; D186-H230 IonicContact OD2-ND1 3.56Å
187	S	98.2	Very high	96.5	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.233	C	C	.	.			trans	-77.6	162.5	174.4	-51.5	0	0	0	0	111.5	A181 T201 N202 G229 H230 C231	A181-S187 WeakPolarHBondContact CA-O 3.44Å; A181-S187 WeakPolarHBondContact CB-O 3.48Å; A181-S187 PolarHBondContact N-O 2.92Å; S187-T201 WeakPolarHBondContact CA-O 3.3Å; S187-T201 WeakPolarHBondContact CB-O 3.17Å; S187-N202 WeakPolarHBondContact CB-O 3.42Å; S187-N202 PolarHBondContact OG-O 2.92Å; S187-G229 VanDerWaalsContact CB-CA 3.41Å; S187-G229 WeakPolarHBondContact OG-CA 3.16Å; S187-H230 PolarHBondContact N-O 3.09Å; S187-H230 PolarHBondContact OG-N 3.46Å; S187-C231 WeakPolarHBondContact O-CB 3.12Å
188	S	98.3	Very high	96.5	Very high	19 Å²	19	35.8 Å²	35.8	13%	0.133	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	156.2	166.3	72	0	0	0	0	110.8	C179 A200 T201	C179-S188 WeakPolarHBondContact O-CA 3.35Å; S188-A200 WeakPolarHBondContact O-CA 3.47Å; S188-T201 WeakPolarHBondContact CB-OG1 3.3Å; S188-T201 PolarHBondContact N-O 3.08Å; S188-T201 VanDerWaalsContact N-O 3.11Å; S188-T201 PolarHBondContact N-OG1 3.25Å; S188-T201 VanDerWaalsContact N-OG1 3.16Å; S188-T201 PolarHBondContact O-N 3.31Å; S188-T201 VanDerWaalsContact O-N 3.12Å; S188-T201 PolarHBondContact OG-OG1 3Å
189	L	98.7	Very high	96.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	123.5	171.6	-178.2	66.5	0	0	0	108.9	L178 C179 C198 A200 Y258	L178-L189 HydrophobicContact CB-CD2 4.27Å; L178-L189 HydrophobicContact CB-CG 4.39Å; L178-L189 HydrophobicContact CD1-CD2 4.44Å; L178-L189 PolarHBondContact N-O 2.89Å; C179-L189 HydrophobicContact CB-CB 3.77Å; C179-L189 PolarHBondContact N-O 3.21Å; C179-L189 PolarHBondContact O-N 3.38Å; L189-C198 HydrophobicContact CD1-CB 4.18Å; L189-A200 HydrophobicContact CD1-CB 4.09Å; L189-Y258 HydrophobicContact CB-CE1 4.48Å; L189-Y258 HydrophobicContact CB-CE2 4.42Å; L189-Y258 HydrophobicContact CD2-CD1 4.24Å; L189-Y258 HydrophobicContact CD2-CD2 3.87Å; L189-Y258 HydrophobicContact CD2-CE1 4.48Å; L189-Y258 HydrophobicContact CD2-CE2 4.11Å; L189-Y258 HydrophobicContact CD2-CG 3.93Å
190	K	98.5	Very high	96.5	Very high	100 Å²	100	39.8 Å²	39.8	44%	0.435	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.3	173.8	-57.4	-174.7	179.6	175.2	0	109.3	K176 T177 C198 R199	K176-K190 CarbonylContact O-C 3.59Å; K176-K190 WeakPolarHBondContact O-CA 3.4Å; T177-K190 HydrophobicContact CG2-CG 4.29Å; T177-K190 WeakPolarHBondContact OG1-CE 3.15Å; K190-C198 CarbonylContact O-C 3.52Å; K190-C198 WeakPolarHBondContact O-CA 3.44Å; K190-R199 PolarHBondContact N-O 3.46Å; K190-R199 PolarHBondContact O-N 3.04Å
191	C	98.5	Very high	96.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	148.5	-178.6	-64.7	0	0	0	0	111.5	L175 K176 L178 F197 C198	L175-C191 WeakPolarHBondContact CA-O 3.36Å; K176-C191 WeakPolarHBondContact CG-O 3.45Å; K176-C191 PolarHBondContact N-O 3.3Å; K176-C191 PolarHBondContact O-N 3.3Å; L178-C191 HydrophobicContact CD1-CB 3.84Å; L178-C191 HydrophobicContact CG-CB 4.43Å; C191-F197 CarbonylContact C-O 3.3Å; C191-F197 VanDerWaalsContact CA-O 3.24Å; C191-F197 WeakPolarHBondContact CA-O 3.32Å; C191-C198 HydrophobicContact CB-CB 4.16Å; C191-C198 WeakPolarHBondContact CB-SG 3.32Å; C191-C198 WeakPolarHBondContact SG-CB 3.47Å; C191-C198 CovalentContact SG-SG 2.04Å; C191-C198 PolarHBondContact SG-SG 3.42Å
192	S	97.8	Very high	96.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.198	C	C	.	.			trans	-75.7	164.4	161.4	71	0	0	0	0	109.3	H194 A195 F197 E241	S192-H194 PolarHBondContact O-N 3.12Å; S192-A195 WeakPolarHBondContact O-CA 3.23Å; S192-A195 PolarHBondContact O-N 2.91Å; S192-F197 PolarHBondContact N-O 2.83Å; S192-F197 PolarHBondContact OG-N 2.9Å; S192-F197 VanDerWaalsContact OG-N 3.09Å; S192-E241 VanDerWaalsContact O-OE2 3.09Å
193	S	97	Very high	96.7	Very high	36 Å²	36	30.3 Å²	30.3	25%	0.252	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-45.5	136.4	179.7	-58.3	0	0	0	0	113.3	E174 A195 R196 E241	E174-S193 WeakPolarHBondContact CG-OG 3.42Å; S193-A195 PolarHBondContact O-N 3.5Å; S193-R196 WeakPolarHBondContact O-CD 3.41Å; S193-R196 WeakPolarHBondContact O-CG 3.37Å; S193-E241 WeakPolarHBondContact CA-OE2 3.41Å
194	H	97.2	Very high	97	Very high	33 Å²	33	24.8 Å²	24.8	15%	0.153	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	58.4	29.2	-175.8	-43.7	-73.9	0	0	0	114.3	S192 R196 E241 H244 S250	S192-H194 PolarHBondContact O-N 3.12Å; H194-R196 HydrophobicContact CB-CG 4.32Å; H194-R196 PolarHBondContact O-N 3.5Å; H194-R196 VanDerWaalsContact O-N 3.13Å; H194-E241 WeakPolarHBondContact CA-O 3.46Å; H194-E241 PolarHBondContact N-OE2 3.14Å; H194-H244 HydrophobicContact CB-CB 4.11Å; H194-H244 AromaticContact CD2-CE1 3.31Å; H194-H244 PolarHBondContact CD2-CE1 3.34Å; H194-H244 AromaticContact CD2-ND1 3.26Å; H194-H244 PolarHBondContact CD2-ND1 3.04Å; H194-H244 VanDerWaalsContact CD2-ND1 3.26Å; H194-H244 AromaticContact CE1-CE1 3.48Å; H194-H244 PolarHBondContact CE1-CE1 3.38Å; H194-H244 VanDerWaalsContact CE1-CE1 3.48Å; H194-H244 AromaticContact CE1-ND1 3.84Å; H194-H244 AromaticContact CG-ND1 3.41Å; H194-H244 AromaticContact ND1-ND1 3.78Å; H194-H244 AromaticContact NE2-CE1 2.85Å; H194-H244 PolarHBondContact NE2-CE1 3.23Å; H194-H244 AromaticContact NE2-ND1 3.55Å; H194-S250 WeakPolarHBondContact O-CB 3.42Å; H194-S250 PolarHBondContact O-OG 3.43Å
195	A	97.4	Very high	97.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	49	38.9	-178	0	0	0	0	0	114	S192 S193 E241 W251	S192-A195 WeakPolarHBondContact O-CA 3.23Å; S192-A195 PolarHBondContact O-N 2.91Å; S193-A195 PolarHBondContact O-N 3.5Å; A195-E241 HydrophobicContact CB-CB 4.29Å; A195-E241 PolarHBondContact N-OE2 2.96Å; A195-W251 WeakPolarHBondContact O-CB 3.23Å; A195-W251 PolarHBondContact O-N 2.91Å
196	R	96.9	Very high	98	Very high	10 Å²	10	17.9 Å²	17.9	4%	0.038	9%	0.087	C	C	.	.	S	Bend	trans	-75.9	-31.6	-178.7	-71.2	170.5	-177.7	-167.8	-6.8	113.6	S193 H194 H244 L362 L363 M366 R367	S193-R196 WeakPolarHBondContact O-CD 3.41Å; S193-R196 WeakPolarHBondContact O-CG 3.37Å; H194-R196 HydrophobicContact CB-CG 4.32Å; H194-R196 PolarHBondContact O-N 3.5Å; H194-R196 VanDerWaalsContact O-N 3.13Å; R196-H244 PolarHBondContact NH2-CE1 2.81Å; R196-H244 PolarHBondContact NH2-ND1 3.32Å; R196-L362 HydrophobicContact CB-CD2 4.47Å; R196-L362 WeakPolarHBondContact O-CA 3.39Å; R196-L363 VanDerWaalsContact O-CD1 3.27Å; R196-L363 WeakPolarHBondContact O-CD1 3.34Å; R196-M366 HydrophobicContact CB-SD 3.82Å; R196-M366 HydrophobicContact CG-CG 4.33Å; R196-M366 HydrophobicContact CG-SD 4.04Å; R196-R367 VanDerWaalsContact CZ-O 3.24Å; R196-R367 PolarHBondContact NH1-O 3.41Å; R196-R367 VanDerWaalsContact NH1-O 3.09Å; R196-R367 PolarHBondContact NH2-O 2.93Å
197	F	98.4	Very high	98.1	Very high	3 Å²	3	17.4 Å²	17.4	1%	0.013	9%	0.085	C	C	.	.	S	Bend	trans	-135.4	136.8	166.7	171.1	-82.6	0	0	0	106.8	L175 C191 S192 R199 I306 N307 F359 F360 L362	L175-F197 HydrophobicContact CD2-CD1 4.02Å; L175-F197 HydrophobicContact CD2-CE1 4.37Å; C191-F197 CarbonylContact C-O 3.3Å; C191-F197 VanDerWaalsContact CA-O 3.24Å; C191-F197 WeakPolarHBondContact CA-O 3.32Å; S192-F197 PolarHBondContact N-O 2.83Å; S192-F197 PolarHBondContact OG-N 2.9Å; S192-F197 VanDerWaalsContact OG-N 3.09Å; F197-R199 HydrophobicContact CE1-CB 4.29Å; F197-I306 HydrophobicContact CD1-CG2 3.72Å; F197-I306 HydrophobicContact CD2-CB 4.45Å; F197-I306 HydrophobicContact CD2-CD1 4.43Å; F197-I306 HydrophobicContact CD2-CG2 4.17Å; F197-I306 HydrophobicContact CE1-CG2 3.56Å; F197-I306 HydrophobicContact CE2-CB 4.19Å; F197-I306 HydrophobicContact CE2-CG2 4.01Å; F197-I306 HydrophobicContact CG-CG2 4.04Å; F197-I306 HydrophobicContact CZ-CB 4.26Å; F197-I306 HydrophobicContact CZ-CG2 3.71Å; F197-N307 HydrophobicContact CZ-CB 4.22Å; F197-F359 HydrophobicContact CD2-CD2 4.26Å; F197-F359 HydrophobicContact CE2-CB 4.2Å; F197-F359 AromaticContact CE2-CD2 3.42Å; F197-F359 HydrophobicContact CE2-CD2 3.42Å; F197-F359 VanDerWaalsContact CE2-CD2 3.42Å; F197-F359 AromaticContact CE2-CE2 3.98Å; F197-F359 HydrophobicContact CE2-CE2 3.98Å; F197-F359 AromaticContact CE2-CG 3.99Å; F197-F359 HydrophobicContact CE2-CG 3.99Å; F197-F359 HydrophobicContact CZ-CB 3.95Å; F197-F359 AromaticContact CZ-CD2 3.99Å; F197-F359 HydrophobicContact CZ-CD2 3.99Å; F197-F359 HydrophobicContact CZ-CG 4.07Å; F197-F360 WeakPolarHBondContact CD2-O 3.36Å; F197-L362 HydrophobicContact CB-CD2 3.89Å; F197-L362 HydrophobicContact CB-CG 4.47Å
198	C	98.8	Very high	98	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	138.1	176.2	-67	0	0	0	0	110.8	L189 K190 C191 L255 F359 F360	L189-C198 HydrophobicContact CD1-CB 4.18Å; K190-C198 CarbonylContact O-C 3.52Å; K190-C198 WeakPolarHBondContact O-CA 3.44Å; C191-C198 HydrophobicContact CB-CB 4.16Å; C191-C198 WeakPolarHBondContact CB-SG 3.32Å; C191-C198 WeakPolarHBondContact SG-CB 3.47Å; C191-C198 CovalentContact SG-SG 2.04Å; C191-C198 PolarHBondContact SG-SG 3.42Å; C198-L255 HydrophobicContact CB-CD1 3.97Å; C198-L255 WeakPolarHBondContact SG-CD1 3.36Å; C198-F359 CarbonylContact O-C 3.38Å; C198-F359 WeakPolarHBondContact O-CA 3.21Å; C198-F359 VanDerWaalsContact O-CB 3.32Å; C198-F359 WeakPolarHBondContact O-CB 3.35Å; C198-F360 HydrophobicContact CB-CB 4.19Å; C198-F360 HydrophobicContact CB-CD2 3.85Å; C198-F360 HydrophobicContact CB-CG 4.38Å; C198-F360 PolarHBondContact N-O 3.38Å; C198-F360 PolarHBondContact O-N 3.45Å
199	R	98.5	Very high	97.9	Very high	85 Å²	85	28 Å²	28	32%	0.321	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.4	169	-174.3	174.6	-179.4	150.6	-5.1	109.9	K190 F197 N307 D357 S358 F359	K190-R199 PolarHBondContact N-O 3.46Å; K190-R199 PolarHBondContact O-N 3.04Å; F197-R199 HydrophobicContact CE1-CB 4.29Å; R199-N307 PolarHBondContact NH1-OD1 2.7Å; R199-D357 IonicContact CZ-OD1 2.78Å; R199-D357 VanDerWaalsContact CZ-OD1 3.28Å; R199-D357 IonicContact CZ-OD2 2.66Å; R199-D357 IonicContact NE-OD1 3.51Å; R199-D357 PolarHBondContact NE-OD1 2.76Å; R199-D357 VanDerWaalsContact NE-OD1 3.09Å; R199-D357 IonicContact NH2-OD1 3.58Å; R199-D357 PolarHBondContact NH2-OD1 3.02Å; R199-D357 IonicContact NH2-OD2 3.62Å; R199-D357 PolarHBondContact NH2-OD2 2.96Å; R199-S358 WeakPolarHBondContact CG-O 3.28Å; R199-F359 HydrophobicContact CB-CB 4.27Å; R199-F359 HydrophobicContact CG-CB 4.37Å
200	A	98.3	Very high	97.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	138.7	177.3	0	0	0	0	0	112.2	S188 L189 L203 S358	S188-A200 WeakPolarHBondContact O-CA 3.47Å; L189-A200 HydrophobicContact CD1-CB 4.09Å; A200-L203 HydrophobicContact CB-CB 4.13Å; A200-L203 HydrophobicContact CB-CD1 4.28Å; A200-S358 PolarHBondContact N-O 3.24Å; A200-S358 PolarHBondContact O-N 2.93Å; A200-S358 PolarHBondContact O-OG 3.42Å; A200-S358 VanDerWaalsContact O-OG 3.14Å
201	T	98	Very high	97.5	Very high	37 Å²	37	27.6 Å²	27.6	23%	0.227	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	145.2	171	58.9	0	0	0	0	109.6	S187 S188 L203 K356	S187-T201 WeakPolarHBondContact CA-O 3.3Å; S187-T201 WeakPolarHBondContact CB-O 3.17Å; S188-T201 WeakPolarHBondContact CB-OG1 3.3Å; S188-T201 PolarHBondContact N-O 3.08Å; S188-T201 VanDerWaalsContact N-O 3.11Å; S188-T201 PolarHBondContact N-OG1 3.25Å; S188-T201 VanDerWaalsContact N-OG1 3.16Å; S188-T201 PolarHBondContact O-N 3.31Å; S188-T201 VanDerWaalsContact O-N 3.12Å; S188-T201 PolarHBondContact OG-OG1 3Å; T201-L203 PolarHBondContact O-N 2.78Å; T201-K356 WeakPolarHBondContact CA-O 3.33Å
202	N	97.9	Very high	97.3	Very high	13 Å²	13	28.4 Å²	28.4	7%	0.07	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	44.3	50	-175.1	-55.1	-60.9	0	0	0	112.2	G185 D186 S187 F355 K356	G185-N202 PolarHBondContact O-ND2 3.28Å; D186-N202 PolarHBondContact O-ND2 3.45Å; S187-N202 WeakPolarHBondContact CB-O 3.42Å; S187-N202 PolarHBondContact OG-O 2.92Å; N202-F355 CarbonylContact C-O 3.58Å; N202-F355 VanDerWaalsContact CA-O 3.28Å; N202-F355 WeakPolarHBondContact CA-O 3.38Å; N202-F355 PolarHBondContact N-O 3.21Å; N202-K356 PolarHBondContact N-O 2.97Å; N202-K356 WeakPolarHBondContact OD1-CD 3.38Å; N202-K356 PolarHBondContact OD1-NZ 2.76Å
203	L	98.4	Very high	97.1	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	125	179.7	175	69.2	0	0	0	109.8	A200 T201 I227 Y258 F281 C354 F355 F360	A200-L203 HydrophobicContact CB-CB 4.13Å; A200-L203 HydrophobicContact CB-CD1 4.28Å; T201-L203 PolarHBondContact O-N 2.78Å; L203-I227 HydrophobicContact CD1-CD1 4.37Å; L203-I227 HydrophobicContact CD1-CG1 3.93Å; L203-Y258 HydrophobicContact CD1-CD2 4.47Å; L203-Y258 HydrophobicContact CD1-CE2 3.7Å; L203-F281 HydrophobicContact CD2-CE2 3.68Å; L203-F281 HydrophobicContact CD2-CZ 4.17Å; L203-C354 CarbonylContact O-C 3.22Å; L203-C354 VanDerWaalsContact O-CA 3.28Å; L203-C354 WeakPolarHBondContact O-CA 3.41Å; L203-F355 HydrophobicContact CB-CB 4.33Å; L203-F355 HydrophobicContact CD2-CD2 4.33Å; L203-F355 PolarHBondContact N-O 3.19Å; L203-F355 PolarHBondContact O-N 3.01Å; L203-F360 HydrophobicContact CD2-CE2 4.25Å; L203-F360 HydrophobicContact CD2-CZ 4.01Å
204	Y	98.6	Very high	96.9	Very high	10 Å²	10	34.4 Å²	34.4	4%	0.039	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	135	169	179	-100.8	0	0	0	110.4	D206 G225 I227 G228 L261 F263 P265 R352	Y204-D206 HydrophobicContact CE1-CB 3.76Å; Y204-D206 PolarHBondContact OH-OD2 3.28Å; Y204-G225 WeakPolarHBondContact CE1-O 3.5Å; Y204-I227 WeakPolarHBondContact O-CA 3.43Å; Y204-G228 PolarHBondContact N-O 2.9Å; Y204-G228 PolarHBondContact O-N 3.27Å; Y204-G228 VanDerWaalsContact O-N 3.13Å; Y204-L261 HydrophobicContact CD1-CD1 3.87Å; Y204-L261 HydrophobicContact CG-CD1 3.86Å; Y204-F263 HydrophobicContact CD2-CE2 4.35Å; Y204-F263 HydrophobicContact CE2-CE2 4.36Å; Y204-F263 HydrophobicContact CE2-CZ 4.4Å; Y204-P265 HydrophobicContact CD2-CB 4.02Å; Y204-P265 HydrophobicContact CG-CB 4.39Å; Y204-P265 HydrophobicContact CG-CG 4.49Å; Y204-R352 HydrophobicContact CE2-CB 4.05Å; Y204-R352 HydrophobicContact CE2-CG 4.27Å; Y204-R352 VanDerWaalsContact OH-CD 3.27Å; Y204-R352 WeakPolarHBondContact OH-CD 3.4Å; Y204-R352 WeakPolarHBondContact OH-CG 3.5Å
205	L	98.4	Very high	96.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	120.5	173.1	-172.8	67.4	0	0	0	110.5	L207 I222 E226 I227 W319 L345 R352 V353 F355	L205-L207 HydrophobicContact CD2-CD1 3.83Å; L205-L207 HydrophobicContact CD2-CD2 4.5Å; L205-L207 HydrophobicContact CD2-CG 4.14Å; L205-L207 HydrophobicContact CG-CD1 4.27Å; L205-L207 HydrophobicContact CG-CD2 4.37Å; L205-L207 HydrophobicContact CG-CG 4.03Å; L205-I222 HydrophobicContact CD1-CD1 4.13Å; L205-E226 CarbonylContact C-O 3.43Å; L205-E226 WeakPolarHBondContact CA-O 3.13Å; L205-I227 HydrophobicContact CD1-CB 4.17Å; L205-I227 HydrophobicContact CD1-CD1 4.05Å; L205-I227 HydrophobicContact CD1-CG1 4.04Å; L205-W319 HydrophobicContact CD1-CH2 4.27Å; L205-W319 HydrophobicContact CD2-CZ3 4.37Å; L205-L345 HydrophobicContact CD2-CD1 4.14Å; L205-R352 CarbonylContact O-C 3.54Å; L205-R352 WeakPolarHBondContact O-CA 3.18Å; L205-V353 PolarHBondContact N-O 3.34Å; L205-V353 PolarHBondContact O-N 2.71Å; L205-F355 HydrophobicContact CB-CE2 4.34Å; L205-F355 HydrophobicContact CD2-CE2 4.27Å
206	D	98.2	Very high	96.5	Very high	17 Å²	17	42 Å²	42	9%	0.091	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	102.9	179.7	-161.7	-26.1	0	0	0	110.8	Y204 R208 E226 R352	Y204-D206 HydrophobicContact CE1-CB 3.76Å; Y204-D206 PolarHBondContact OH-OD2 3.28Å; D206-R208 VanDerWaalsContact OD1-CB 3.27Å; D206-R208 WeakPolarHBondContact OD1-CB 3.21Å; D206-R208 WeakPolarHBondContact OD1-CG 3.34Å; D206-R208 IonicContact OD1-CZ 3.97Å; D206-R208 PolarHBondContact OD1-N 3.49Å; D206-R208 VanDerWaalsContact OD1-N 3.11Å; D206-R208 IonicContact OD1-NE 3.74Å; D206-R208 PolarHBondContact OD1-NE 2.95Å; D206-R208 IonicContact OD1-NH2 2.65Å; D206-R208 IonicContact OD2-CZ 3.28Å; D206-R208 VanDerWaalsContact OD2-CZ 3.29Å; D206-R208 IonicContact OD2-NE 3.76Å; D206-R208 PolarHBondContact OD2-NE 2.99Å; D206-R208 VanDerWaalsContact OD2-NE 3.12Å; D206-R208 IonicContact OD2-NH2 2.75Å; D206-R208 PolarHBondContact OD2-NH2 2.96Å; D206-E226 HydrophobicContact CB-CB 4.09Å; D206-E226 HydrophobicContact CB-CG 4.31Å; D206-E226 PolarHBondContact N-O 3.21Å; D206-R352 HydrophobicContact CB-CG 4.36Å
207	L	97.6	Very high	96.4	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	20%	0.197	C	C	.	.			trans	-108.5	28.4	176.4	-62	172.2	0	0	0	110.9	L205 N209 P210 F221 L345 Y348 S350 K351	L205-L207 HydrophobicContact CD2-CD1 3.83Å; L205-L207 HydrophobicContact CD2-CD2 4.5Å; L205-L207 HydrophobicContact CD2-CG 4.14Å; L205-L207 HydrophobicContact CG-CD1 4.27Å; L205-L207 HydrophobicContact CG-CD2 4.37Å; L205-L207 HydrophobicContact CG-CG 4.03Å; L207-N209 VanDerWaalsContact C-N 3.3Å; L207-N209 PolarHBondContact O-N 3.02Å; L207-P210 HydrophobicContact CD2-CB 4.34Å; L207-P210 WeakPolarHBondContact O-CD 3.4Å; L207-F221 HydrophobicContact CD2-CE1 3.86Å; L207-F221 HydrophobicContact CD2-CZ 4.2Å; L207-L345 HydrophobicContact CD1-CD1 3.89Å; L207-L345 HydrophobicContact CD1-CG 4.25Å; L207-Y348 WeakPolarHBondContact CB-O 3.07Å; L207-S350 WeakPolarHBondContact O-CA 3.27Å; L207-S350 PolarHBondContact O-N 3.24Å; L207-K351 CarbonylContact C-O 3.6Å; L207-K351 WeakPolarHBondContact CA-O 3.49Å; L207-K351 PolarHBondContact N-O 2.63Å
208	R	97.2	Very high	96.2	Very high	115 Å²	115	44.1 Å²	44.1	43%	0.434	21%	0.205	S	C	.	.	S	Bend	trans	-63.7	-35.1	177	-72.2	178.9	-64.3	162.2	0.6	113	D206 K351 R352	D206-R208 VanDerWaalsContact OD1-CB 3.27Å; D206-R208 WeakPolarHBondContact OD1-CB 3.21Å; D206-R208 WeakPolarHBondContact OD1-CG 3.34Å; D206-R208 IonicContact OD1-CZ 3.97Å; D206-R208 PolarHBondContact OD1-N 3.49Å; D206-R208 VanDerWaalsContact OD1-N 3.11Å; D206-R208 IonicContact OD1-NE 3.74Å; D206-R208 PolarHBondContact OD1-NE 2.95Å; D206-R208 IonicContact OD1-NH2 2.65Å; D206-R208 IonicContact OD2-CZ 3.28Å; D206-R208 VanDerWaalsContact OD2-CZ 3.29Å; D206-R208 IonicContact OD2-NE 3.76Å; D206-R208 PolarHBondContact OD2-NE 2.99Å; D206-R208 VanDerWaalsContact OD2-NE 3.12Å; D206-R208 IonicContact OD2-NH2 2.75Å; D206-R208 PolarHBondContact OD2-NH2 2.96Å; R208-K351 PolarHBondContact N-O 2.8Å; R208-R352 HydrophobicContact CG-CG 4.05Å
209	N	95.4	Very high	95.8	Very high	127 Å²	127	46.7 Å²	46.7	68%	0.679	22%	0.217	S	C	*	.	S	Bend	trans	-133.6	65.5	179.5	-59.6	-72.5	0	0	0	110.8	L207	L207-N209 VanDerWaalsContact C-N 3.3Å; L207-N209 PolarHBondContact O-N 3.02Å
210	P	93.7	Very high	95.4	Very high	33 Å²	33	48.1 Å²	48.1	21%	0.214	23%	0.231	C	C	.	.			trans	-74	133.8	-171.9	30.6	-28	0	0	0	110.1	L207 R212 F221 D349	L207-P210 HydrophobicContact CD2-CB 4.34Å; L207-P210 WeakPolarHBondContact O-CD 3.4Å; P210-R212 HydrophobicContact CB-CG 4.43Å; P210-R212 PolarHBondContact O-N 2.67Å; P210-F221 HydrophobicContact CB-CE2 4.08Å; P210-F221 HydrophobicContact CB-CZ 3.73Å; P210-D349 HydrophobicContact CG-CB 4.16Å
211	R	94.5	Very high	95.3	Very high	58 Å²	58	48.3 Å²	48.3	22%	0.219	23%	0.231	C	C	.	.			trans	-85	60.4	-176.1	-72.2	168	-67.2	-78.5	-1.2	111.3	F221 R223 E226	R211-F221 PolarHBondContact NE-O 2.58Å; R211-F221 PolarHBondContact NH2-O 2.76Å; R211-F221 WeakPolarHBondContact O-CD2 3.05Å; R211-R223 VanDerWaalsContact NH2-N 3.17Å; R211-E226 IonicContact CZ-OE1 3.5Å; R211-E226 IonicContact CZ-OE2 3.71Å; R211-E226 IonicContact NH1-OE1 3.47Å; R211-E226 PolarHBondContact NH1-OE1 3.29Å; R211-E226 IonicContact NH1-OE2 3.83Å; R211-E226 PolarHBondContact NH1-OE2 3.03Å; R211-E226 IonicContact NH2-OE1 2.63Å; R211-E226 PolarHBondContact NH2-OE1 3.25Å; R211-E226 IonicContact NH2-OE2 2.74Å; R211-E226 PolarHBondContact NH2-OE2 2.86Å
212	R	95	Very high	95.2	Very high	17 Å²	17	46.9 Å²	46.9	6%	0.064	22%	0.223	C	C	.	.			trans	-65.3	138.5	-179.8	-68.9	-163.9	176.8	-66.8	-26.9	111.4	P210 F221 D320 T321 S322 Y323 K346 D349	P210-R212 HydrophobicContact CB-CG 4.43Å; P210-R212 PolarHBondContact O-N 2.67Å; R212-F221 HydrophobicContact CG-CE2 4.01Å; R212-D320 PolarHBondContact NH1-O 3.37Å; R212-T321 WeakPolarHBondContact CA-O 3.09Å; R212-T321 WeakPolarHBondContact CG-O 3.37Å; R212-T321 PolarHBondContact NH1-O 3.12Å; R212-S322 PolarHBondContact NH1-O 2.94Å; R212-Y323 VanDerWaalsContact C-CE2 3.43Å; R212-Y323 HydrophobicContact CB-CD1 3.97Å; R212-Y323 HydrophobicContact CB-CD2 4.28Å; R212-Y323 HydrophobicContact CB-CE1 3.45Å; R212-Y323 VanDerWaalsContact CB-CE1 3.45Å; R212-Y323 HydrophobicContact CB-CE2 3.77Å; R212-Y323 HydrophobicContact CB-CG 4.35Å; R212-Y323 WeakPolarHBondContact CB-OH 3.39Å; R212-Y323 HydrophobicContact CG-CE1 4.36Å; R212-Y323 WeakPolarHBondContact O-CE2 3.27Å; R212-Y323 VanDerWaalsContact O-CZ 3.26Å; R212-Y323 PolarHBondContact O-OH 2.92Å; R212-K346 VanDerWaalsContact CZ-CB 3.4Å; R212-D349 IonicContact CZ-OD1 3.12Å; R212-D349 IonicContact CZ-OD2 2.71Å; R212-D349 IonicContact NE-OD1 3.63Å; R212-D349 PolarHBondContact NE-OD1 2.74Å; R212-D349 IonicContact NE-OD2 3.46Å; R212-D349 PolarHBondContact NE-OD2 3.48Å; R212-D349 IonicContact NH2-OD1 2.87Å; R212-D349 PolarHBondContact NH2-OD1 3.12Å; R212-D349 IonicContact NH2-OD2 3.7Å
213	S	93.6	Very high	95	Very high	29 Å²	29	53.2 Å²	53.2	20%	0.203	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-131.9	-166.9	179.3	69	0	0	0	0	110	E215 D218 S322 Y323	S213-E215 VanDerWaalsContact C-N 3.27Å; S213-E215 WeakPolarHBondContact OG-CB 3.41Å; S213-E215 PolarHBondContact OG-N 3.46Å; S213-E215 VanDerWaalsContact OG-N 3.13Å; S213-D218 PolarHBondContact OG-OD2 2.75Å; S213-S322 VanDerWaalsContact O-CA 3.25Å; S213-S322 WeakPolarHBondContact O-CA 3.36Å; S213-Y323 WeakPolarHBondContact O-CD2 3.4Å; S213-Y323 PolarHBondContact O-N 2.88Å
214	H	93.1	Very high	94.9	Very high	133 Å²	133	57.9 Å²	57.9	62%	0.616	27%	0.274	S	S	*	.	S	Bend	trans	-85.7	-4	168.4	-62.4	109.6	0	0	0	112.1	Y324	H214-Y324 HydrophobicContact CB-CE2 3.96Å; H214-Y324 AromaticContact CD2-CE2 3.89Å; H214-Y324 AromaticContact CD2-CZ 3.6Å; H214-Y324 PolarHBondContact CD2-OH 2.03Å; H214-Y324 VanDerWaalsContact CD2-OH 3.26Å
215	E	92.9	Very high	94.7	Very high	125 Å²	125	58.9 Å²	58.9	58%	0.584	29%	0.288	S	S	*	.			trans	-86.2	127.9	178.7	-57.6	-170.5	-175.3	0	0	110.2	S213 Y217 D218 T321 S322	S213-E215 VanDerWaalsContact C-N 3.27Å; S213-E215 WeakPolarHBondContact OG-CB 3.41Å; S213-E215 PolarHBondContact OG-N 3.46Å; S213-E215 VanDerWaalsContact OG-N 3.13Å; E215-Y217 VanDerWaalsContact C-N 3.3Å; E215-Y217 PolarHBondContact O-N 3.44Å; E215-D218 HydrophobicContact CB-CB 4.26Å; E215-T321 CarbonylContact O-C 3.51Å; E215-T321 PolarHBondContact O-OG1 3.25Å; E215-S322 WeakPolarHBondContact O-CB 3.18Å; E215-S322 PolarHBondContact O-N 3.42Å
216	R	93.1	Very high	94.6	Very high	69 Å²	69	60.6 Å²	60.6	26%	0.26	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-27.2	-175.7	-175	171.2	-68.4	-67.5	-2.1	113.1	D320 T321 G325	R216-D320 IonicContact CZ-OD2 2.98Å; R216-D320 IonicContact NH1-OD1 2.75Å; R216-D320 IonicContact NH1-OD2 3.4Å; R216-D320 PolarHBondContact NH1-OD2 2.98Å; R216-T321 PolarHBondContact O-N 2.75Å; R216-T321 PolarHBondContact O-OG1 3.16Å; R216-G325 PolarHBondContact NH2-O 3.13Å; R216-G325 VanDerWaalsContact NH2-O 3.12Å
217	Y	94.3	Very high	94.6	Very high	26 Å²	26	59.8 Å²	59.8	10%	0.102	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140.4	61.1	-175.6	-55.4	-53.8	0	0	0	110	E215 E219 P247 L248 K283 L284 W319 T321	E215-Y217 VanDerWaalsContact C-N 3.3Å; E215-Y217 PolarHBondContact O-N 3.44Å; Y217-E219 PolarHBondContact O-N 2.98Å; Y217-P247 HydrophobicContact CD2-CB 4.43Å; Y217-P247 HydrophobicContact CG-CB 4.38Å; Y217-L248 HydrophobicContact CD2-CD2 3.9Å; Y217-L248 HydrophobicContact CD2-CG 4.12Å; Y217-L248 HydrophobicContact CE2-CD1 4.23Å; Y217-L248 HydrophobicContact CE2-CD2 3.55Å; Y217-L248 HydrophobicContact CE2-CG 4.05Å; Y217-K283 HydrophobicContact CD1-CB 4.09Å; Y217-K283 HydrophobicContact CD1-CD 3.75Å; Y217-K283 HydrophobicContact CD1-CG 3.77Å; Y217-K283 HydrophobicContact CE1-CB 3.6Å; Y217-K283 HydrophobicContact CE1-CD 4.15Å; Y217-K283 HydrophobicContact CE1-CG 3.69Å; Y217-K283 HydrophobicContact CG-CD 4.28Å; Y217-L284 PolarHBondContact OH-N 3.36Å; Y217-L284 PolarHBondContact OH-O 2.82Å; Y217-W319 WeakPolarHBondContact CD1-O 3.49Å; Y217-W319 WeakPolarHBondContact CE1-O 3.41Å; Y217-T321 PolarHBondContact N-OG1 3.41Å
218	D	93.7	Very high	94.6	Very high	31 Å²	31	59.8 Å²	59.8	17%	0.166	29%	0.291	C	S	.	.			trans	-65.3	113.5	178.2	-173	-39.7	0	0	0	109.7	S213 E215 D220 F221 T321	S213-D218 PolarHBondContact OG-OD2 2.75Å; E215-D218 HydrophobicContact CB-CB 4.26Å; D218-D220 PolarHBondContact O-N 3.08Å; D218-D220 PolarHBondContact OD1-N 2.75Å; D218-D220 VanDerWaalsContact OD1-N 3.14Å; D218-F221 HydrophobicContact CB-CB 4.22Å; D218-F221 VanDerWaalsContact O-CB 3.22Å; D218-F221 WeakPolarHBondContact O-CB 3.29Å; D218-F221 PolarHBondContact O-N 2.77Å; D218-F221 PolarHBondContact OD1-N 2.79Å; D218-T321 HydrophobicContact CB-CG2 4.44Å; D218-T321 WeakPolarHBondContact CB-OG1 3.48Å; D218-T321 PolarHBondContact N-OG1 3.45Å
219	E	91.3	Very high	94.7	Very high	53 Å²	53	54.3 Å²	54.3	25%	0.248	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-5.3	-171.7	-66.5	-166.1	91.7	0	0	114.2	Y217 K245 P247 A253 Q256	Y217-E219 PolarHBondContact O-N 2.98Å; E219-K245 VanDerWaalsContact OE1-CE 3.23Å; E219-K245 WeakPolarHBondContact OE1-CE 3.25Å; E219-K245 WeakPolarHBondContact OE1-CG 3.17Å; E219-P247 HydrophobicContact CG-CG 3.92Å; E219-P247 WeakPolarHBondContact OE2-CD 3.34Å; E219-A253 HydrophobicContact CB-CB 3.8Å; E219-A253 HydrophobicContact CG-CB 3.82Å; E219-A253 WeakPolarHBondContact OE1-CB 3.37Å; E219-Q256 PolarHBondContact O-NE2 3.2Å
220	D	91.1	Very high	94.8	Very high	115 Å²	115	51 Å²	51	62%	0.615	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.5	15.6	175.3	-67.7	-25.5	0	0	0	111.9	D218 I222	D218-D220 PolarHBondContact O-N 3.08Å; D218-D220 PolarHBondContact OD1-N 2.75Å; D218-D220 VanDerWaalsContact OD1-N 3.14Å; D220-I222 VanDerWaalsContact C-N 3.26Å; D220-I222 PolarHBondContact O-N 2.74Å
221	F	95.4	Very high	95	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.018	24%	0.243	C	C	.	.	S	Bend	trans	-60.5	-27.7	-178.7	-176.4	-106	0	0	0	114.2	L207 P210 R211 R212 D218 T321 L345	L207-F221 HydrophobicContact CD2-CE1 3.86Å; L207-F221 HydrophobicContact CD2-CZ 4.2Å; P210-F221 HydrophobicContact CB-CE2 4.08Å; P210-F221 HydrophobicContact CB-CZ 3.73Å; R211-F221 PolarHBondContact NE-O 2.58Å; R211-F221 PolarHBondContact NH2-O 2.76Å; R211-F221 WeakPolarHBondContact O-CD2 3.05Å; R212-F221 HydrophobicContact CG-CE2 4.01Å; D218-F221 HydrophobicContact CB-CB 4.22Å; D218-F221 VanDerWaalsContact O-CB 3.22Å; D218-F221 WeakPolarHBondContact O-CB 3.29Å; D218-F221 PolarHBondContact O-N 2.77Å; D218-F221 PolarHBondContact OD1-N 2.79Å; F221-T321 HydrophobicContact CB-CG2 3.74Å; F221-T321 HydrophobicContact CD1-CG2 3.69Å; F221-T321 HydrophobicContact CD2-CG2 3.79Å; F221-T321 HydrophobicContact CE1-CG2 4.23Å; F221-T321 HydrophobicContact CE2-CG2 4.3Å; F221-T321 HydrophobicContact CG-CG2 3.45Å; F221-T321 VanDerWaalsContact CG-CG2 3.45Å; F221-L345 HydrophobicContact CE1-CD2 4Å
222	I	95.3	Very high	95.2	Very high	8 Å²	8	54.9 Å²	54.9	4%	0.041	27%	0.267	C	S	.	.			trans	-115.8	138.3	-177.1	-57	-63.6	0	0	0	111.6	L205 D220 E226 I227 W319	L205-I222 HydrophobicContact CD1-CD1 4.13Å; D220-I222 VanDerWaalsContact C-N 3.26Å; D220-I222 PolarHBondContact O-N 2.74Å; I222-E226 HydrophobicContact CG2-CB 4.18Å; I222-I227 HydrophobicContact CG2-CB 3.81Å; I222-I227 HydrophobicContact CG2-CG2 3.5Å; I222-I227 VanDerWaalsContact CG2-CG2 3.5Å; I222-W319 HydrophobicContact CD1-CH2 4.48Å; I222-W319 HydrophobicContact CD1-CZ2 4.35Å; I222-W319 HydrophobicContact CG1-CH2 4.49Å; I222-W319 HydrophobicContact CG1-CZ2 4.12Å
223	R	94.7	Very high	95.3	Very high	145 Å²	145	55 Å²	55	55%	0.547	27%	0.268	S	S	.	.			trans	-114.1	168.1	177.3	-75.9	172.6	-173.5	-177.4	-0.9	112.3	R211 G225 E226	R211-R223 VanDerWaalsContact NH2-N 3.17Å; R223-G225 PolarHBondContact O-N 3.47Å; R223-E226 HydrophobicContact CB-CG 4.47Å; R223-E226 PolarHBondContact N-OE2 3.38Å; R223-E226 WeakPolarHBondContact O-CB 3.08Å; R223-E226 PolarHBondContact O-N 2.89Å
224	T	94.9	Very high	95.6	Very high	100 Å²	100	57.4 Å²	57.4	61%	0.613	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	132.7	175	-48.1	0	0	0	0	111.1	E226 M257	T224-E226 VanDerWaalsContact C-N 3.28Å; T224-E226 PolarHBondContact O-N 3.02Å; T224-M257 WeakPolarHBondContact OG1-CE 3.18Å
225	G	94.4	Very high	95.7	Very high	31 Å²	31	58 Å²	58	32%	0.32	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	-13.2	-177	0	0	0	0	0	115.1	Y204 R223 S259	Y204-G225 WeakPolarHBondContact CE1-O 3.5Å; R223-G225 PolarHBondContact O-N 3.47Å; G225-S259 PolarHBondContact N-OG 3.44Å
226	E	97.4	Very high	95.9	Very high	35 Å²	35	60 Å²	60	16%	0.164	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-17.3	179.2	-62.9	172.6	171.4	0	0	113.5	L205 D206 R211 I222 R223 T224	L205-E226 CarbonylContact C-O 3.43Å; L205-E226 WeakPolarHBondContact CA-O 3.13Å; D206-E226 HydrophobicContact CB-CB 4.09Å; D206-E226 HydrophobicContact CB-CG 4.31Å; D206-E226 PolarHBondContact N-O 3.21Å; R211-E226 IonicContact CZ-OE1 3.5Å; R211-E226 IonicContact CZ-OE2 3.71Å; R211-E226 IonicContact NH1-OE1 3.47Å; R211-E226 PolarHBondContact NH1-OE1 3.29Å; R211-E226 IonicContact NH1-OE2 3.83Å; R211-E226 PolarHBondContact NH1-OE2 3.03Å; R211-E226 IonicContact NH2-OE1 2.63Å; R211-E226 PolarHBondContact NH2-OE1 3.25Å; R211-E226 IonicContact NH2-OE2 2.74Å; R211-E226 PolarHBondContact NH2-OE2 2.86Å; I222-E226 HydrophobicContact CG2-CB 4.18Å; R223-E226 HydrophobicContact CB-CG 4.47Å; R223-E226 PolarHBondContact N-OE2 3.38Å; R223-E226 WeakPolarHBondContact O-CB 3.08Å; R223-E226 PolarHBondContact O-N 2.89Å; T224-E226 VanDerWaalsContact C-N 3.28Å; T224-E226 PolarHBondContact O-N 3.02Å
227	I	98.3	Very high	96.1	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	137.3	166.7	-163.5	169.5	0	0	0	109.3	L203 Y204 L205 I222 L255 Y258 S259 F360	L203-I227 HydrophobicContact CD1-CD1 4.37Å; L203-I227 HydrophobicContact CD1-CG1 3.93Å; Y204-I227 WeakPolarHBondContact O-CA 3.43Å; L205-I227 HydrophobicContact CD1-CB 4.17Å; L205-I227 HydrophobicContact CD1-CD1 4.05Å; L205-I227 HydrophobicContact CD1-CG1 4.04Å; I222-I227 HydrophobicContact CG2-CB 3.81Å; I222-I227 HydrophobicContact CG2-CG2 3.5Å; I222-I227 VanDerWaalsContact CG2-CG2 3.5Å; I227-L255 HydrophobicContact CD1-CD2 3.97Å; I227-Y258 HydrophobicContact CG1-CD2 4.33Å; I227-Y258 WeakPolarHBondContact O-CA 3.38Å; I227-S259 PolarHBondContact O-N 2.94Å; I227-F360 HydrophobicContact CD1-CZ 4.5Å
228	G	98.1	Very high	96.3	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.4	-160.7	-175.9	0	0	0	0	0	115.5	Y204 Y258 S259	Y204-G228 PolarHBondContact N-O 2.9Å; Y204-G228 PolarHBondContact O-N 3.27Å; Y204-G228 VanDerWaalsContact O-N 3.13Å; G228-Y258 VanDerWaalsContact C-CZ 3.44Å; G228-Y258 PolarHBondContact O-OH 3.33Å; G228-S259 WeakPolarHBondContact CA-O 3.37Å
229	G	97.8	Very high	96.4	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.8	163.2	179.4	0	0	0	0	0	113.2	S187 C231 S259 L261	S187-G229 VanDerWaalsContact CB-CA 3.41Å; S187-G229 WeakPolarHBondContact OG-CA 3.16Å; G229-C231 PolarHBondContact O-N 3.25Å; G229-S259 PolarHBondContact N-O 3.34Å; G229-L261 PolarHBondContact O-N 3.02Å
230	H	98.1	Very high	96.6	Very high	58 Å²	58	58.1 Å²	58.1	27%	0.269	31%	0.307	S	S	.	.	S	Bend	trans	-79.4	93.6	172.2	-171.2	-103.7	0	0	0	109	D186 S187 L261 F263 R264	D186-H230 VanDerWaalsContact CB-O 3.31Å; D186-H230 WeakPolarHBondContact CB-O 3.36Å; D186-H230 IonicContact OD1-CE1 2.79Å; D186-H230 IonicContact OD1-CG 3.32Å; D186-H230 IonicContact OD1-ND1 2.76Å; D186-H230 PolarHBondContact OD1-ND1 3.47Å; D186-H230 IonicContact OD2-ND1 3.56Å; S187-H230 PolarHBondContact N-O 3.09Å; S187-H230 PolarHBondContact OG-N 3.46Å; H230-L261 PolarHBondContact CD2-O 3.05Å; H230-L261 VanDerWaalsContact CD2-O 3.25Å; H230-F263 WeakPolarHBondContact CB-O 3.42Å; H230-R264 HydrophobicContact CB-CG 3.95Å
231	C	98	Very high	96.9	Very high	8 Å²	8	53.1 Å²	53.1	5%	0.054	28%	0.279	C	S	.	.	S	Bend	trans	-166.2	155	-176	54.1	0	0	0	0	111.4	C179 S187 G229 L233 E260	C179-C231 HydrophobicContact CB-CB 4.03Å; C179-C231 WeakPolarHBondContact CB-SG 3.45Å; C179-C231 WeakPolarHBondContact SG-CB 3.2Å; C179-C231 PolarHBondContact SG-O 3.03Å; C179-C231 VanDerWaalsContact SG-O 3.33Å; C179-C231 CovalentContact SG-SG 2.03Å; C179-C231 PolarHBondContact SG-SG 3.47Å; S187-C231 WeakPolarHBondContact O-CB 3.12Å; G229-C231 PolarHBondContact O-N 3.25Å; C231-L233 PolarHBondContact O-N 2.69Å; C231-E260 WeakPolarHBondContact O-CG 3.11Å
232	K	98.3	Very high	96.8	Very high	165 Å²	165	53.9 Å²	53.9	72%	0.717	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	108.4	176.1	-175.2	172	-176	169.5	0	110.6	C179 K180 E260	C179-K232 WeakPolarHBondContact CA-O 3.5Å; K180-K232 PolarHBondContact N-O 3.12Å; K180-K232 PolarHBondContact O-N 3.08Å; K232-E260 WeakPolarHBondContact CA-OE2 3.41Å
233	L	98.3	Very high	96.6	Very high	18 Å²	18	59.5 Å²	59.5	9%	0.094	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	124.6	-174.1	-177.8	65.2	0	0	0	112.7	C179 C231 K235 L238 Y258 E260	C179-L233 HydrophobicContact CB-CD1 3.88Å; C231-L233 PolarHBondContact O-N 2.69Å; L233-K235 HydrophobicContact CD2-CG 3.75Å; L233-K235 HydrophobicContact CG-CG 3.97Å; L233-K235 PolarHBondContact O-N 3.16Å; L233-L238 HydrophobicContact CD1-CD2 4.25Å; L233-Y258 HydrophobicContact CD1-CD1 4Å; L233-Y258 HydrophobicContact CD2-CD1 4.45Å; L233-Y258 WeakPolarHBondContact CD2-O 3.42Å; L233-E260 HydrophobicContact CB-CB 3.93Å; L233-E260 HydrophobicContact CD2-CB 4.49Å; L233-E260 PolarHBondContact N-OE2 3.17Å
234	N	98.1	Very high	96.4	Very high	80 Å²	80	55.1 Å²	55.1	43%	0.428	30%	0.304	S	S	.	.			trans	-85.4	83.2	167.4	-170.8	-18.1	0	0	0	110.5	L178 Q236 A237 L238	L178-N234 PolarHBondContact O-N 3.47Å; N234-Q236 VanDerWaalsContact C-N 3.26Å; N234-Q236 PolarHBondContact O-N 3.29Å; N234-Q236 PolarHBondContact OD1-N 3.22Å; N234-A237 HydrophobicContact CB-CB 4.01Å; N234-A237 WeakPolarHBondContact ND2-CB 3.46Å; N234-A237 PolarHBondContact O-N 2.72Å; N234-A237 VanDerWaalsContact O-N 3.15Å; N234-A237 WeakPolarHBondContact OD1-CB 3.5Å; N234-A237 PolarHBondContact OD1-N 3.37Å; N234-L238 PolarHBondContact O-N 2.69Å
235	K	96.8	Very high	96.3	Very high	146 Å²	146	53.8 Å²	53.8	64%	0.635	29%	0.29	S	S	*	.	H	α-helix	trans	-55.2	-37.1	-179.1	-66.2	-178.9	179.6	179	0	113.4	L233 A239	L233-K235 HydrophobicContact CD2-CG 3.75Å; L233-K235 HydrophobicContact CG-CG 3.97Å; L233-K235 PolarHBondContact O-N 3.16Å; K235-A239 WeakPolarHBondContact O-CB 3.42Å; K235-A239 PolarHBondContact O-N 2.83Å
236	Q	96.9	Very high	96.2	Very high	167 Å²	167	53.9 Å²	53.9	78%	0.78	29%	0.286	S	S	*	.	H	α-helix	trans	-68	-45.6	177.7	-69.6	177.8	-14.9	0	0	111.7	N234 L238 A239 A240	N234-Q236 VanDerWaalsContact C-N 3.26Å; N234-Q236 PolarHBondContact O-N 3.29Å; N234-Q236 PolarHBondContact OD1-N 3.22Å; Q236-L238 VanDerWaalsContact C-N 3.3Å; Q236-L238 PolarHBondContact O-N 2.88Å; Q236-A239 PolarHBondContact O-N 3.02Å; Q236-A240 PolarHBondContact O-N 3.19Å; Q236-A240 VanDerWaalsContact O-N 3.09Å
237	A	97.2	Very high	96	Very high	23 Å²	23	54 Å²	54	19%	0.19	29%	0.29	C	S	.	.	H	α-helix	trans	-71.2	-23.6	179.2	0	0	0	0	0	113.9	K176 L178 N234	K176-A237 PolarHBondContact NZ-O 2.97Å; L178-A237 HydrophobicContact CD2-CB 4.07Å; N234-A237 HydrophobicContact CB-CB 4.01Å; N234-A237 WeakPolarHBondContact ND2-CB 3.46Å; N234-A237 PolarHBondContact O-N 2.72Å; N234-A237 VanDerWaalsContact O-N 3.15Å; N234-A237 WeakPolarHBondContact OD1-CB 3.5Å; N234-A237 PolarHBondContact OD1-N 3.37Å
238	L	97.5	Very high	95.8	Very high	6 Å²	6	55.2 Å²	55.2	3%	0.031	30%	0.296	C	S	.	.	H	α-helix	trans	-71.8	-52.9	168.5	172.6	61.9	0	0	0	110.6	L178 L233 N234 Q236 A240 E241 Y252	L178-L238 HydrophobicContact CD1-CB 4.46Å; L178-L238 HydrophobicContact CD1-CD1 3.86Å; L233-L238 HydrophobicContact CD1-CD2 4.25Å; N234-L238 PolarHBondContact O-N 2.69Å; Q236-L238 VanDerWaalsContact C-N 3.3Å; Q236-L238 PolarHBondContact O-N 2.88Å; L238-A240 PolarHBondContact O-N 3.11Å; L238-E241 VanDerWaalsContact O-CB 3.31Å; L238-E241 WeakPolarHBondContact O-CB 3.48Å; L238-E241 PolarHBondContact O-N 3.27Å; L238-Y252 VanDerWaalsContact O-CE2 3.28Å; L238-Y252 WeakPolarHBondContact O-CE2 3.3Å
239	A	96.5	Very high	95.7	Very high	56 Å²	56	57.9 Å²	57.9	46%	0.463	31%	0.308	S	S	.	.	H	α-helix	trans	-57.5	-33.1	-180	0	0	0	0	0	113.3	K235 Q236 E241 G242	K235-A239 WeakPolarHBondContact O-CB 3.42Å; K235-A239 PolarHBondContact O-N 2.83Å; Q236-A239 PolarHBondContact O-N 3.02Å; A239-E241 PolarHBondContact O-N 2.88Å; A239-E241 VanDerWaalsContact O-N 3.16Å; A239-G242 PolarHBondContact O-N 2.98Å
240	A	96	Very high	95.6	Very high	55 Å²	55	57.9 Å²	57.9	46%	0.455	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-9.8	174.7	0	0	0	0	0	114.8	Q236 L238 G242	Q236-A240 PolarHBondContact O-N 3.19Å; Q236-A240 VanDerWaalsContact O-N 3.09Å; L238-A240 PolarHBondContact O-N 3.11Å; A240-G242 VanDerWaalsContact C-N 3.29Å
241	E	96.3	Very high	95.6	Very high	9 Å²	9	55.1 Å²	55.1	4%	0.042	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-7.7	175.9	-61.8	-61.3	85.5	0	0	113.5	K176 L178 S192 S193 H194 A195 L238 A239 D243 Y252	K176-E241 WeakPolarHBondContact CE-OE1 3.3Å; K176-E241 WeakPolarHBondContact CE-OE2 3.48Å; K176-E241 IonicContact NZ-OE1 2.63Å; K176-E241 PolarHBondContact NZ-OE1 3.14Å; K176-E241 IonicContact NZ-OE2 3.8Å; L178-E241 HydrophobicContact CD1-CG 4.34Å; S192-E241 VanDerWaalsContact O-OE2 3.09Å; S193-E241 WeakPolarHBondContact CA-OE2 3.41Å; H194-E241 WeakPolarHBondContact CA-O 3.46Å; H194-E241 PolarHBondContact N-OE2 3.14Å; A195-E241 HydrophobicContact CB-CB 4.29Å; A195-E241 PolarHBondContact N-OE2 2.96Å; L238-E241 VanDerWaalsContact O-CB 3.31Å; L238-E241 WeakPolarHBondContact O-CB 3.48Å; L238-E241 PolarHBondContact O-N 3.27Å; A239-E241 PolarHBondContact O-N 2.88Å; A239-E241 VanDerWaalsContact O-N 3.16Å; E241-D243 VanDerWaalsContact C-N 3.3Å; E241-D243 PolarHBondContact O-N 2.88Å; E241-Y252 HydrophobicContact CB-CD2 3.8Å; E241-Y252 HydrophobicContact CB-CE2 4.36Å
242	G	94	Very high	95.6	Very high	20 Å²	20	56.2 Å²	56.2	21%	0.206	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-70.5	-11.9	-170.7	0	0	0	0	0	117	A239 A240 H244 K245 Y252	A239-G242 PolarHBondContact O-N 2.98Å; A240-G242 VanDerWaalsContact C-N 3.29Å; G242-H244 PolarHBondContact O-N 3.29Å; G242-K245 VanDerWaalsContact O-CB 3.32Å; G242-K245 WeakPolarHBondContact O-CB 3.32Å; G242-K245 PolarHBondContact O-N 2.71Å; G242-Y252 VanDerWaalsContact CA-CD1 3.46Å; G242-Y252 VanDerWaalsContact CA-CE1 3.49Å
243	D	90.3	Very high	95.5	Very high	127 Å²	127	48.5 Å²	48.5	68%	0.679	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-56.4	-27.8	-172.5	-70.1	-8.7	0	0	0	114.9	E241	E241-D243 VanDerWaalsContact C-N 3.3Å; E241-D243 PolarHBondContact O-N 2.88Å
244	H	90.3	Very high	95.4	Very high	53 Å²	53	47.9 Å²	47.9	25%	0.245	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-115.5	30.8	175.2	-58.5	151.6	0	0	0	112.6	H194 R196 G242 S246 S250	H194-H244 HydrophobicContact CB-CB 4.11Å; H194-H244 AromaticContact CD2-CE1 3.31Å; H194-H244 PolarHBondContact CD2-CE1 3.34Å; H194-H244 AromaticContact CD2-ND1 3.26Å; H194-H244 PolarHBondContact CD2-ND1 3.04Å; H194-H244 VanDerWaalsContact CD2-ND1 3.26Å; H194-H244 AromaticContact CE1-CE1 3.48Å; H194-H244 PolarHBondContact CE1-CE1 3.38Å; H194-H244 VanDerWaalsContact CE1-CE1 3.48Å; H194-H244 AromaticContact CE1-ND1 3.84Å; H194-H244 AromaticContact CG-ND1 3.41Å; H194-H244 AromaticContact ND1-ND1 3.78Å; H194-H244 AromaticContact NE2-CE1 2.85Å; H194-H244 PolarHBondContact NE2-CE1 3.23Å; H194-H244 AromaticContact NE2-ND1 3.55Å; R196-H244 PolarHBondContact NH2-CE1 2.81Å; R196-H244 PolarHBondContact NH2-ND1 3.32Å; G242-H244 PolarHBondContact O-N 3.29Å; H244-S246 PolarHBondContact O-N 3.18Å; H244-S246 VanDerWaalsContact O-N 3.08Å; H244-S250 VanDerWaalsContact O-CB 3.26Å; H244-S250 WeakPolarHBondContact O-CB 3.4Å
245	K	93.5	Very high	95.3	Very high	71 Å²	71	44 Å²	44	31%	0.309	24%	0.242	S	C	.	.			trans	-53.3	115.4	170.1	-179.1	174.6	177.6	172.8	0	109.4	E219 G242 Y252 A253 Q256	E219-K245 VanDerWaalsContact OE1-CE 3.23Å; E219-K245 WeakPolarHBondContact OE1-CE 3.25Å; E219-K245 WeakPolarHBondContact OE1-CG 3.17Å; G242-K245 VanDerWaalsContact O-CB 3.32Å; G242-K245 WeakPolarHBondContact O-CB 3.32Å; G242-K245 PolarHBondContact O-N 2.71Å; K245-Y252 HydrophobicContact CB-CD1 3.98Å; K245-Y252 HydrophobicContact CD-CD1 4.06Å; K245-Y252 HydrophobicContact CD-CE1 4.36Å; K245-Y252 HydrophobicContact CG-CD1 4.17Å; K245-A253 HydrophobicContact CD-CB 4.49Å; K245-A253 HydrophobicContact CG-CB 4.36Å; K245-Q256 VanDerWaalsContact NZ-NE2 3.16Å
246	S	93	Very high	95.3	Very high	34 Å²	34	39.6 Å²	39.6	24%	0.238	22%	0.223	C	C	.	.			trans	-170.2	143	174.9	177.1	0	0	0	0	108.6	H244 L248 Q249 S250	H244-S246 PolarHBondContact O-N 3.18Å; H244-S246 VanDerWaalsContact O-N 3.08Å; S246-L248 VanDerWaalsContact C-N 3.29Å; S246-L248 PolarHBondContact O-N 3.41Å; S246-Q249 PolarHBondContact O-N 3.24Å; S246-S250 PolarHBondContact O-N 2.85Å
247	P	92.4	Very high	95.3	Very high	38 Å²	38	34.7 Å²	34.7	25%	0.247	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-41.4	-167.7	-34.4	37.8	0	0	0	116	Y217 E219 K283	Y217-P247 HydrophobicContact CD2-CB 4.43Å; Y217-P247 HydrophobicContact CG-CB 4.38Å; E219-P247 HydrophobicContact CG-CG 3.92Å; E219-P247 WeakPolarHBondContact OE2-CD 3.34Å; P247-K283 WeakPolarHBondContact O-CD 3.42Å; P247-K283 WeakPolarHBondContact O-CE 3.23Å; P247-K283 PolarHBondContact O-NZ 2.89Å
248	L	94.6	Very high	95.3	Very high	25 Å²	25	33.9 Å²	33.9	13%	0.131	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	16	-177.5	-68.7	-178.7	0	0	0	113.8	Y217 S246 K283 L363 P364 R365	Y217-L248 HydrophobicContact CD2-CD2 3.9Å; Y217-L248 HydrophobicContact CD2-CG 4.12Å; Y217-L248 HydrophobicContact CE2-CD1 4.23Å; Y217-L248 HydrophobicContact CE2-CD2 3.55Å; Y217-L248 HydrophobicContact CE2-CG 4.05Å; S246-L248 VanDerWaalsContact C-N 3.29Å; S246-L248 PolarHBondContact O-N 3.41Å; L248-K283 HydrophobicContact CD2-CB 3.64Å; L248-K283 HydrophobicContact CD2-CD 4.36Å; L248-L363 WeakPolarHBondContact O-CB 3.38Å; L248-P364 HydrophobicContact CB-CG 4.2Å; L248-P364 HydrophobicContact CD1-CG 4.23Å; L248-P364 HydrophobicContact CD2-CG 3.86Å; L248-P364 HydrophobicContact CG-CG 4.33Å; L248-R365 HydrophobicContact CB-CB 3.86Å; L248-R365 HydrophobicContact CB-CG 3.79Å; L248-R365 HydrophobicContact CD1-CG 4.09Å; L248-R365 CarbonylContact O-C 3.54Å; L248-R365 WeakPolarHBondContact O-CA 3.5Å; L248-R365 WeakPolarHBondContact O-CB 3.47Å; L248-R365 PolarHBondContact O-N 3.45Å
249	Q	95.1	Very high	95.3	Very high	56 Å²	56	34.3 Å²	34.3	26%	0.262	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-17.2	179.3	-43.6	-166.4	20.3	0	0	114.2	S246 R365	S246-Q249 PolarHBondContact O-N 3.24Å; Q249-R365 HydrophobicContact CG-CB 4.2Å; Q249-R365 WeakPolarHBondContact CG-O 3.4Å
250	S	96.5	Very high	95.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.198	C	C	.	.			trans	-154	151.4	-178.3	178.7	0	0	0	0	111.5	H194 H244 S246 Y252 K283	H194-S250 WeakPolarHBondContact O-CB 3.42Å; H194-S250 PolarHBondContact O-OG 3.43Å; H244-S250 VanDerWaalsContact O-CB 3.26Å; H244-S250 WeakPolarHBondContact O-CB 3.4Å; S246-S250 PolarHBondContact O-N 2.85Å; S250-Y252 VanDerWaalsContact C-N 3.32Å; S250-Y252 WeakPolarHBondContact OG-CB 3.14Å; S250-Y252 PolarHBondContact OG-N 2.9Å; S250-K283 PolarHBondContact O-NZ 2.91Å
251	W	98	Very high	95.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-89.4	5.8	165.3	-66.4	100.1	0	0	0	113.5	A195 A253 E254 L255 F281 K283 W319 F360 S361 L363	A195-W251 WeakPolarHBondContact O-CB 3.23Å; A195-W251 PolarHBondContact O-N 2.91Å; W251-A253 PolarHBondContact O-N 3.37Å; W251-E254 WeakPolarHBondContact CA-OE2 3.46Å; W251-E254 HydrophobicContact CE3-CB 4.45Å; W251-E254 HydrophobicContact CE3-CG 4.1Å; W251-E254 HydrophobicContact CZ3-CG 4.47Å; W251-E254 PolarHBondContact O-N 2.98Å; W251-L255 HydrophobicContact CB-CD1 3.91Å; W251-L255 HydrophobicContact CB-CG 4.5Å; W251-L255 WeakPolarHBondContact O-CB 3.46Å; W251-L255 WeakPolarHBondContact O-CG 3.34Å; W251-L255 PolarHBondContact O-N 2.84Å; W251-F281 HydrophobicContact CH2-CB 3.95Å; W251-F281 HydrophobicContact CZ2-CB 4.46Å; W251-F281 WeakPolarHBondContact CZ2-O 3.5Å; W251-F281 HydrophobicContact CZ3-CB 4.47Å; W251-K283 HydrophobicContact CH2-CD 4.37Å; W251-K283 HydrophobicContact CH2-CG 3.64Å; W251-K283 HydrophobicContact CZ2-CG 4.15Å; W251-K283 HydrophobicContact CZ3-CD 4.21Å; W251-K283 HydrophobicContact CZ3-CG 3.86Å; W251-W319 HydrophobicContact CH2-CB 3.84Å; W251-W319 HydrophobicContact CH2-CG 4.14Å; W251-W319 HydrophobicContact CZ3-CB 3.9Å; W251-W319 AromaticContact CZ3-CD2 3.84Å; W251-W319 HydrophobicContact CZ3-CD2 3.84Å; W251-W319 HydrophobicContact CZ3-CE3 4.23Å; W251-W319 AromaticContact CZ3-CG 3.67Å; W251-W319 HydrophobicContact CZ3-CG 3.67Å; W251-F360 HydrophobicContact CD2-CB 3.83Å; W251-F360 AromaticContact CD2-CD1 3.71Å; W251-F360 HydrophobicContact CD2-CD1 3.71Å; W251-F360 HydrophobicContact CD2-CG 4.18Å; W251-F360 AromaticContact CE3-CD1 3.55Å; W251-F360 HydrophobicContact CE3-CD1 3.55Å; W251-F360 HydrophobicContact CE3-CE1 4.22Å; W251-F360 HydrophobicContact CE3-CG 4.46Å; W251-F360 HydrophobicContact CG-CB 3.82Å; W251-F360 HydrophobicContact CG-CD1 4.24Å; W251-F360 HydrophobicContact CG-CG 4.33Å; W251-F360 HydrophobicContact CH2-CD1 4.11Å; W251-F360 HydrophobicContact CZ2-CB 4.22Å; W251-F360 HydrophobicContact CZ2-CD1 4.3Å; W251-F360 AromaticContact CZ3-CD1 3.77Å; W251-F360 HydrophobicContact CZ3-CD1 3.77Å; W251-F360 HydrophobicContact CZ3-CE1 4.34Å; W251-S361 PolarHBondContact NE1-O 3.27Å; W251-L363 HydrophobicContact CD2-CD2 4.35Å; W251-L363 HydrophobicContact CG-CD1 4.43Å; W251-L363 HydrophobicContact CG-CD2 4.41Å
252	Y	97.6	Very high	95.4	Very high	32 Å²	32	41.5 Å²	41.5	13%	0.125	22%	0.217	C	C	.	.	H	α-helix	trans	-60.5	-34.9	-178.5	178.3	-99.4	0	0	0	112.1	L238 E241 G242 K245 S250 E254 L255 Q256	L238-Y252 VanDerWaalsContact O-CE2 3.28Å; L238-Y252 WeakPolarHBondContact O-CE2 3.3Å; E241-Y252 HydrophobicContact CB-CD2 3.8Å; E241-Y252 HydrophobicContact CB-CE2 4.36Å; G242-Y252 VanDerWaalsContact CA-CD1 3.46Å; G242-Y252 VanDerWaalsContact CA-CE1 3.49Å; K245-Y252 HydrophobicContact CB-CD1 3.98Å; K245-Y252 HydrophobicContact CD-CD1 4.06Å; K245-Y252 HydrophobicContact CD-CE1 4.36Å; K245-Y252 HydrophobicContact CG-CD1 4.17Å; S250-Y252 VanDerWaalsContact C-N 3.32Å; S250-Y252 WeakPolarHBondContact OG-CB 3.14Å; S250-Y252 PolarHBondContact OG-N 2.9Å; Y252-E254 VanDerWaalsContact C-N 3.3Å; Y252-E254 PolarHBondContact O-N 2.9Å; Y252-L255 CarbonylContact O-C 3.47Å; Y252-L255 PolarHBondContact O-N 2.99Å; Y252-Q256 HydrophobicContact CD1-CB 4.25Å; Y252-Q256 HydrophobicContact CD2-CB 4.44Å; Y252-Q256 HydrophobicContact CE1-CB 3.78Å; Y252-Q256 HydrophobicContact CE2-CB 3.97Å; Y252-Q256 WeakPolarHBondContact O-CA 3.45Å; Y252-Q256 WeakPolarHBondContact O-CB 3.35Å; Y252-Q256 PolarHBondContact O-N 2.66Å
253	A	96	Very high	95.4	Very high	3 Å²	3	42.2 Å²	42.2	3%	0.025	21%	0.214	C	C	.	.	H	α-helix	trans	-58.1	-42.2	177	0	0	0	0	0	112.5	E219 K245 W251 Q256	E219-A253 HydrophobicContact CB-CB 3.8Å; E219-A253 HydrophobicContact CG-CB 3.82Å; E219-A253 WeakPolarHBondContact OE1-CB 3.37Å; K245-A253 HydrophobicContact CD-CB 4.49Å; K245-A253 HydrophobicContact CG-CB 4.36Å; W251-A253 PolarHBondContact O-N 3.37Å; A253-Q256 WeakPolarHBondContact O-CG 3.2Å; A253-Q256 PolarHBondContact O-NE2 2.65Å
254	E	96.3	Very high	95.6	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.019	20%	0.197	C	C	.	.	H	α-helix	trans	-76.7	-30.6	178.9	-64.9	67.2	-150.2	0	0	112.4	W251 Y252 K283 W319	W251-E254 WeakPolarHBondContact CA-OE2 3.46Å; W251-E254 HydrophobicContact CE3-CB 4.45Å; W251-E254 HydrophobicContact CE3-CG 4.1Å; W251-E254 HydrophobicContact CZ3-CG 4.47Å; W251-E254 PolarHBondContact O-N 2.98Å; Y252-E254 VanDerWaalsContact C-N 3.3Å; Y252-E254 PolarHBondContact O-N 2.9Å; E254-K283 WeakPolarHBondContact OE1-CE 3.16Å; E254-K283 IonicContact OE1-NZ 3.48Å; E254-K283 PolarHBondContact OE1-NZ 2.87Å; E254-K283 WeakPolarHBondContact OE2-CE 3.34Å; E254-K283 IonicContact OE2-NZ 3.77Å; E254-K283 PolarHBondContact OE2-NZ 3.01Å; E254-W319 HydrophobicContact CB-CH2 4.45Å; E254-W319 HydrophobicContact CB-CZ2 3.9Å; E254-W319 HydrophobicContact CG-CD2 4.41Å; E254-W319 VanDerWaalsContact CG-CE2 3.44Å; E254-W319 HydrophobicContact CG-CH2 4.36Å; E254-W319 HydrophobicContact CG-CZ2 3.42Å; E254-W319 VanDerWaalsContact CG-CZ2 3.42Å
255	L	97.6	Very high	95.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-100.9	-9.7	-172.7	-64.6	171.8	0	0	0	114.4	C198 I227 W251 Y252 M257 Y258 F360	C198-L255 HydrophobicContact CB-CD1 3.97Å; C198-L255 WeakPolarHBondContact SG-CD1 3.36Å; I227-L255 HydrophobicContact CD1-CD2 3.97Å; W251-L255 HydrophobicContact CB-CD1 3.91Å; W251-L255 HydrophobicContact CB-CG 4.5Å; W251-L255 WeakPolarHBondContact O-CB 3.46Å; W251-L255 WeakPolarHBondContact O-CG 3.34Å; W251-L255 PolarHBondContact O-N 2.84Å; Y252-L255 CarbonylContact O-C 3.47Å; Y252-L255 PolarHBondContact O-N 2.99Å; L255-M257 PolarHBondContact O-N 3.08Å; L255-M257 VanDerWaalsContact O-N 3.15Å; L255-Y258 HydrophobicContact CD2-CD2 4.09Å; L255-Y258 WeakPolarHBondContact O-CB 3.46Å; L255-Y258 PolarHBondContact O-N 2.85Å; L255-F360 HydrophobicContact CD2-CE2 4.13Å; L255-F360 HydrophobicContact CD2-CZ 4.02Å
256	Q	96.3	Very high	95.6	Very high	52 Å²	52	35.1 Å²	35.1	24%	0.243	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-29.5	179.4	66.2	-168.3	-32.6	0	0	112.3	E219 K245 Y252 A253	E219-Q256 PolarHBondContact O-NE2 3.2Å; K245-Q256 VanDerWaalsContact NZ-NE2 3.16Å; Y252-Q256 HydrophobicContact CD1-CB 4.25Å; Y252-Q256 HydrophobicContact CD2-CB 4.44Å; Y252-Q256 HydrophobicContact CE1-CB 3.78Å; Y252-Q256 HydrophobicContact CE2-CB 3.97Å; Y252-Q256 WeakPolarHBondContact O-CA 3.45Å; Y252-Q256 WeakPolarHBondContact O-CB 3.35Å; Y252-Q256 PolarHBondContact O-N 2.66Å; A253-Q256 WeakPolarHBondContact O-CG 3.2Å; A253-Q256 PolarHBondContact O-NE2 2.65Å
257	M	95.9	Very high	95.5	Very high	65 Å²	65	37.3 Å²	37.3	32%	0.32	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	9	178.1	-58.8	-53	-116.2	0	0	113.9	T224 L255 S259	T224-M257 WeakPolarHBondContact OG1-CE 3.18Å; L255-M257 PolarHBondContact O-N 3.08Å; L255-M257 VanDerWaalsContact O-N 3.15Å; M257-S259 PolarHBondContact O-N 3.46Å; M257-S259 PolarHBondContact O-OG 2.93Å
258	Y	98.1	Very high	95.6	Very high	6 Å²	6	39 Å²	39	2%	0.024	19%	0.189	C	C	.	.			trans	-55.4	122.9	179.2	-169.1	-78	0	0	0	110.7	C179 L189 L203 I227 G228 L233 L255	C179-Y258 HydrophobicContact CB-CE1 4.01Å; L189-Y258 HydrophobicContact CB-CE1 4.48Å; L189-Y258 HydrophobicContact CB-CE2 4.42Å; L189-Y258 HydrophobicContact CD2-CD1 4.24Å; L189-Y258 HydrophobicContact CD2-CD2 3.87Å; L189-Y258 HydrophobicContact CD2-CE1 4.48Å; L189-Y258 HydrophobicContact CD2-CE2 4.11Å; L189-Y258 HydrophobicContact CD2-CG 3.93Å; L203-Y258 HydrophobicContact CD1-CD2 4.47Å; L203-Y258 HydrophobicContact CD1-CE2 3.7Å; I227-Y258 HydrophobicContact CG1-CD2 4.33Å; I227-Y258 WeakPolarHBondContact O-CA 3.38Å; G228-Y258 VanDerWaalsContact C-CZ 3.44Å; G228-Y258 PolarHBondContact O-OH 3.33Å; L233-Y258 HydrophobicContact CD1-CD1 4Å; L233-Y258 HydrophobicContact CD2-CD1 4.45Å; L233-Y258 WeakPolarHBondContact CD2-O 3.42Å; L255-Y258 HydrophobicContact CD2-CD2 4.09Å; L255-Y258 WeakPolarHBondContact O-CB 3.46Å; L255-Y258 PolarHBondContact O-N 2.85Å
259	S	97.8	Very high	95.5	Very high	14 Å²	14	40.5 Å²	40.5	10%	0.098	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	134.3	-168.1	-63.4	0	0	0	0	111.9	G225 I227 G228 G229 M257 L261	G225-S259 PolarHBondContact N-OG 3.44Å; I227-S259 PolarHBondContact O-N 2.94Å; G228-S259 WeakPolarHBondContact CA-O 3.37Å; G229-S259 PolarHBondContact N-O 3.34Å; M257-S259 PolarHBondContact O-N 3.46Å; M257-S259 PolarHBondContact O-OG 2.93Å; S259-L261 PolarHBondContact O-N 2.9Å
260	E	97.8	Very high	95.5	Very high	104 Å²	104	41 Å²	41	49%	0.486	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	110.6	162.3	172.3	166	136.9	0	0	107.7	C231 K232 L233	C231-E260 WeakPolarHBondContact O-CG 3.11Å; K232-E260 WeakPolarHBondContact CA-OE2 3.41Å; L233-E260 HydrophobicContact CB-CB 3.93Å; L233-E260 HydrophobicContact CD2-CB 4.49Å; L233-E260 PolarHBondContact N-OE2 3.17Å
261	L	96.9	Very high	95.5	Very high	16 Å²	16	41.9 Å²	41.9	8%	0.084	22%	0.219	C	C	.	.			trans	-90.5	148.1	-178.7	-57.7	176.8	0	0	0	110.1	Y204 G229 H230 S259 F263 P265	Y204-L261 HydrophobicContact CD1-CD1 3.87Å; Y204-L261 HydrophobicContact CG-CD1 3.86Å; G229-L261 PolarHBondContact O-N 3.02Å; H230-L261 PolarHBondContact CD2-O 3.05Å; H230-L261 VanDerWaalsContact CD2-O 3.25Å; S259-L261 PolarHBondContact O-N 2.9Å; L261-F263 VanDerWaalsContact C-N 3.34Å; L261-F263 HydrophobicContact CB-CD1 4.42Å; L261-F263 HydrophobicContact CB-CE1 4.23Å; L261-F263 HydrophobicContact CB-CZ 4.35Å; L261-F263 HydrophobicContact CD1-CE1 4.46Å; L261-F263 HydrophobicContact CD1-CE2 3.99Å; L261-F263 HydrophobicContact CD1-CZ 3.81Å; L261-F263 HydrophobicContact CD2-CE1 4.26Å; L261-F263 HydrophobicContact CD2-CZ 4.25Å; L261-F263 HydrophobicContact CG-CZ 4.36Å; L261-P265 HydrophobicContact CD1-CG 3.95Å
262	N	95.4	Very high	95.5	Very high	151 Å²	151	45.5 Å²	45.5	81%	0.807	24%	0.238	S	C	*	.	S	Bend	trans	-93.8	13.3	178.4	67.5	-40.4	0	0	0	113.6
263	F	94.7	Very high	95.5	Very high	35 Å²	35	46.6 Å²	46.6	15%	0.154	25%	0.246	C	C	.	.	S	Bend	trans	-141.9	148.7	177.7	60.7	-95.2	0	0	0	108.8	Y204 H230 L261 P265 H270	Y204-F263 HydrophobicContact CD2-CE2 4.35Å; Y204-F263 HydrophobicContact CE2-CE2 4.36Å; Y204-F263 HydrophobicContact CE2-CZ 4.4Å; H230-F263 WeakPolarHBondContact CB-O 3.42Å; L261-F263 VanDerWaalsContact C-N 3.34Å; L261-F263 HydrophobicContact CB-CD1 4.42Å; L261-F263 HydrophobicContact CB-CE1 4.23Å; L261-F263 HydrophobicContact CB-CZ 4.35Å; L261-F263 HydrophobicContact CD1-CE1 4.46Å; L261-F263 HydrophobicContact CD1-CE2 3.99Å; L261-F263 HydrophobicContact CD1-CZ 3.81Å; L261-F263 HydrophobicContact CD2-CE1 4.26Å; L261-F263 HydrophobicContact CD2-CZ 4.25Å; L261-F263 HydrophobicContact CG-CZ 4.36Å; F263-P265 HydrophobicContact CE2-CB 4.43Å; F263-P265 HydrophobicContact CE2-CG 4.29Å; F263-P265 WeakPolarHBondContact O-CD 3.4Å; F263-H270 HydrophobicContact CD2-CB 3.65Å; F263-H270 AromaticContact CD2-CD2 3.41Å; F263-H270 VanDerWaalsContact CD2-CD2 3.41Å; F263-H270 WeakPolarHBondContact CD2-CD2 3.15Å; F263-H270 AromaticContact CD2-CG 3.3Å; F263-H270 AromaticContact CD2-ND1 3.71Å; F263-H270 AromaticContact CD2-NE2 3.87Å; F263-H270 HydrophobicContact CE2-CB 3.47Å; F263-H270 VanDerWaalsContact CE2-CB 3.47Å; F263-H270 AromaticContact CE2-CG 3.55Å; F263-H270 AromaticContact CE2-ND1 3.85Å; F263-H270 AromaticContact CG-CD2 3.77Å; F263-H270 AromaticContact CG-CE1 3.78Å; F263-H270 AromaticContact CG-CG 3.88Å; F263-H270 AromaticContact CG-ND1 3.89Å; F263-H270 AromaticContact CG-NE2 3.7Å; F263-H270 HydrophobicContact CZ-CB 4.34Å
264	R	94.5	Very high	95.6	Very high	84 Å²	84	50 Å²	50	32%	0.317	26%	0.263	S	S	.	.			trans	-80.3	115.2	173.8	-68.7	174.7	-62.9	-154	-0.6	109.5	H230 V266 E267 D268	H230-R264 HydrophobicContact CB-CG 3.95Å; R264-V266 VanDerWaalsContact C-N 3.31Å; R264-V266 PolarHBondContact O-N 3.02Å; R264-E267 HydrophobicContact CB-CB 3.94Å; R264-D268 IonicContact CZ-OD1 3.54Å; R264-D268 PolarHBondContact N-OD2 2.83Å; R264-D268 IonicContact NE-OD1 3.46Å; R264-D268 PolarHBondContact NE-OD1 3Å; R264-D268 IonicContact NE-OD2 3.18Å; R264-D268 IonicContact NH2-OD1 3.6Å; R264-D268 PolarHBondContact NH2-OD1 3.39Å; R264-D268 WeakPolarHBondContact O-CB 3.33Å; R264-D268 PolarHBondContact O-N 3.16Å; R264-D268 VanDerWaalsContact O-N 3.07Å
265	P	92.1	Very high	95.7	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-37.6	-166.4	-30.9	38.3	0	0	0	115.5	Y204 L261 F263 H270 C354	Y204-P265 HydrophobicContact CD2-CB 4.02Å; Y204-P265 HydrophobicContact CG-CB 4.39Å; Y204-P265 HydrophobicContact CG-CG 4.49Å; L261-P265 HydrophobicContact CD1-CG 3.95Å; F263-P265 HydrophobicContact CE2-CB 4.43Å; F263-P265 HydrophobicContact CE2-CG 4.29Å; F263-P265 WeakPolarHBondContact O-CD 3.4Å; P265-H270 PolarHBondContact O-N 2.69Å; P265-H270 VanDerWaalsContact O-N 3.11Å; P265-C354 VanDerWaalsContact C-SG 3.51Å; P265-C354 WeakPolarHBondContact CB-SG 3.24Å; P265-C354 PolarHBondContact O-SG 3.06Å
266	V	91.7	Very high	95.7	Very high	19 Å²	19	56.9 Å²	56.9	12%	0.115	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-51.7	-179.6	176.6	0	0	0	0	111	R264 D268 G269 I274 C354 K356	R264-V266 VanDerWaalsContact C-N 3.31Å; R264-V266 PolarHBondContact O-N 3.02Å; V266-D268 VanDerWaalsContact C-N 3.35Å; V266-D268 PolarHBondContact O-N 2.91Å; V266-G269 PolarHBondContact O-N 3.31Å; V266-G269 VanDerWaalsContact O-N 3.1Å; V266-I274 HydrophobicContact CG1-CD1 3.8Å; V266-I274 HydrophobicContact CG1-CG1 4.26Å; V266-I274 HydrophobicContact CG1-CG2 4.17Å; V266-I274 HydrophobicContact CG2-CG1 4.46Å; V266-I274 HydrophobicContact CG2-CG2 4.2Å; V266-C354 HydrophobicContact CG2-CB 3.5Å; V266-C354 VanDerWaalsContact CG2-CB 3.5Å; V266-K356 VanDerWaalsContact CG1-CE 3.5Å
267	E	90.9	Very high	95.8	Very high	80 Å²	80	56.9 Å²	56.9	37%	0.374	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-36	-169	-68	61	-141.5	0	0	112.1	R264 G269 K356	R264-E267 HydrophobicContact CB-CB 3.94Å; E267-G269 VanDerWaalsContact C-N 3.34Å; E267-K356 IonicContact OE1-NZ 2.72Å; E267-K356 PolarHBondContact OE1-NZ 2.82Å
268	D	93.1	Very high	95.9	Very high	72 Å²	72	56.1 Å²	56.1	39%	0.385	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	6	178.6	-50.2	-22.9	0	0	0	111.7	R264 V266 H270	R264-D268 IonicContact CZ-OD1 3.54Å; R264-D268 PolarHBondContact N-OD2 2.83Å; R264-D268 IonicContact NE-OD1 3.46Å; R264-D268 PolarHBondContact NE-OD1 3Å; R264-D268 IonicContact NE-OD2 3.18Å; R264-D268 IonicContact NH2-OD1 3.6Å; R264-D268 PolarHBondContact NH2-OD1 3.39Å; R264-D268 WeakPolarHBondContact O-CB 3.33Å; R264-D268 PolarHBondContact O-N 3.16Å; R264-D268 VanDerWaalsContact O-N 3.07Å; V266-D268 VanDerWaalsContact C-N 3.35Å; V266-D268 PolarHBondContact O-N 2.91Å; D268-H270 PolarHBondContact O-CD2 2.87Å
269	G	93	Very high	95.9	Very high	58 Å²	58	55.9 Å²	55.9	60%	0.598	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	29.2	169.3	0	0	0	0	0	116.6	V266 E267	V266-G269 PolarHBondContact O-N 3.31Å; V266-G269 VanDerWaalsContact O-N 3.1Å; E267-G269 VanDerWaalsContact C-N 3.34Å
270	H	94.8	Very high	95.9	Very high	66 Å²	66	55.3 Å²	55.3	31%	0.306	29%	0.29	S	S	.	.			trans	-85.9	-6.8	-173.3	-77.7	-99.2	0	0	0	115.6	F263 P265 D268 R352	F263-H270 HydrophobicContact CD2-CB 3.65Å; F263-H270 AromaticContact CD2-CD2 3.41Å; F263-H270 VanDerWaalsContact CD2-CD2 3.41Å; F263-H270 WeakPolarHBondContact CD2-CD2 3.15Å; F263-H270 AromaticContact CD2-CG 3.3Å; F263-H270 AromaticContact CD2-ND1 3.71Å; F263-H270 AromaticContact CD2-NE2 3.87Å; F263-H270 HydrophobicContact CE2-CB 3.47Å; F263-H270 VanDerWaalsContact CE2-CB 3.47Å; F263-H270 AromaticContact CE2-CG 3.55Å; F263-H270 AromaticContact CE2-ND1 3.85Å; F263-H270 AromaticContact CG-CD2 3.77Å; F263-H270 AromaticContact CG-CE1 3.78Å; F263-H270 AromaticContact CG-CG 3.88Å; F263-H270 AromaticContact CG-ND1 3.89Å; F263-H270 AromaticContact CG-NE2 3.7Å; F263-H270 HydrophobicContact CZ-CB 4.34Å; P265-H270 PolarHBondContact O-N 2.69Å; P265-H270 VanDerWaalsContact O-N 3.11Å; D268-H270 PolarHBondContact O-CD2 2.87Å; H270-R352 WeakPolarHBondContact O-CD 3.39Å; H270-R352 PolarHBondContact O-NE 2.82Å; H270-R352 PolarHBondContact O-NH1 3.25Å
271	C	96.9	Very high	96	Very high	18 Å²	18	50.3 Å²	50.3	12%	0.122	27%	0.267	C	S	.	.			trans	-103.4	141	179.6	-79.6	0	0	0	0	113	I273 I274 C354	C271-I273 VanDerWaalsContact C-N 3.35Å; C271-I274 HydrophobicContact CB-CG1 4.32Å; C271-C354 HydrophobicContact CB-CB 3.65Å; C271-C354 WeakPolarHBondContact CB-SG 3.33Å; C271-C354 VanDerWaalsContact SG-CA 3.52Å; C271-C354 WeakPolarHBondContact SG-CB 3.32Å; C271-C354 PolarHBondContact SG-N 3.23Å; C271-C354 CovalentContact SG-SG 2.03Å; C271-C354 PolarHBondContact SG-SG 2.99Å
272	D	98.1	Very high	96.1	Very high	76 Å²	76	49.7 Å²	49.7	41%	0.406	26%	0.263	S	S	.	.	S	Bend	trans	-78	-24.4	174.5	-53.6	-61.3	0	0	0	111.6	K351 R352	D272-K351 HydrophobicContact CB-CB 4.47Å; D272-K351 HydrophobicContact CB-CD 4.1Å; D272-R352 PolarHBondContact N-O 3.42Å; D272-R352 IonicContact OD1-CZ 3.29Å; D272-R352 IonicContact OD1-NE 3.8Å; D272-R352 IonicContact OD1-NH2 3.7Å; D272-R352 PolarHBondContact OD1-NH2 2.89Å; D272-R352 WeakPolarHBondContact OD2-CB 3.49Å; D272-R352 IonicContact OD2-CZ 2.67Å; D272-R352 PolarHBondContact OD2-N 2.93Å; D272-R352 IonicContact OD2-NE 3.85Å; D272-R352 PolarHBondContact OD2-NE 3.27Å; D272-R352 IonicContact OD2-NH2 3.83Å
273	I	98	Very high	96.2	Very high	56 Å²	56	42.6 Å²	42.6	29%	0.287	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	134.7	176.8	-56.1	177.4	0	0	0	108.8	C271 I275 Y348 K351 R352 V353 C354	C271-I273 VanDerWaalsContact C-N 3.35Å; I273-I275 HydrophobicContact CG2-CD1 3.65Å; I273-I275 HydrophobicContact CG2-CG1 4.32Å; I273-Y348 HydrophobicContact CD1-CD1 4.48Å; I273-K351 HydrophobicContact CD1-CB 4.31Å; I273-K351 HydrophobicContact CD1-CD 4.3Å; I273-K351 HydrophobicContact CD1-CG 3.92Å; I273-R352 PolarHBondContact N-O 2.85Å; I273-R352 VanDerWaalsContact N-O 3.15Å; I273-V353 HydrophobicContact CB-CG1 4.27Å; I273-V353 HydrophobicContact CB-CG2 4.27Å; I273-V353 HydrophobicContact CG2-CG1 4.35Å; I273-V353 WeakPolarHBondContact O-CA 3.41Å; I273-C354 PolarHBondContact O-N 3.46Å
274	I	98.3	Very high	96.2	Very high	75 Å²	75	41 Å²	41	39%	0.385	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.9	172.8	-59.5	157.6	0	0	0	108.5	V266 C271 E276 C354 K356	V266-I274 HydrophobicContact CG1-CD1 3.8Å; V266-I274 HydrophobicContact CG1-CG1 4.26Å; V266-I274 HydrophobicContact CG1-CG2 4.17Å; V266-I274 HydrophobicContact CG2-CG1 4.46Å; V266-I274 HydrophobicContact CG2-CG2 4.2Å; C271-I274 HydrophobicContact CB-CG1 4.32Å; I274-E276 HydrophobicContact CG2-CG 4.5Å; I274-E276 WeakPolarHBondContact CG2-OE1 3.42Å; I274-C354 HydrophobicContact CG1-CB 4.26Å; I274-K356 HydrophobicContact CG2-CG 4.25Å
275	I	98.3	Very high	96.2	Very high	23 Å²	23	38.2 Å²	38.2	12%	0.118	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	98.8	178.5	-53.2	-60.8	0	0	0	108.2	I273 T279 N315 Y348 V353 C354 F355 K356	I273-I275 HydrophobicContact CG2-CD1 3.65Å; I273-I275 HydrophobicContact CG2-CG1 4.32Å; I275-T279 WeakPolarHBondContact CG2-OG1 3.4Å; I275-N315 WeakPolarHBondContact CG2-ND2 3.49Å; I275-Y348 HydrophobicContact CD1-CE1 4.26Å; I275-V353 HydrophobicContact CD1-CG1 4.48Å; I275-V353 HydrophobicContact CG1-CG1 3.72Å; I275-C354 PolarHBondContact N-O 3.08Å; I275-F355 HydrophobicContact CB-CD1 3.67Å; I275-F355 HydrophobicContact CB-CE1 4.04Å; I275-F355 HydrophobicContact CB-CG 4.39Å; I275-F355 HydrophobicContact CG1-CD1 3.86Å; I275-F355 HydrophobicContact CG1-CE1 3.71Å; I275-F355 HydrophobicContact CG1-CZ 4.37Å; I275-F355 HydrophobicContact CG2-CD1 3.89Å; I275-F355 HydrophobicContact CG2-CE1 4.22Å; I275-K356 PolarHBondContact O-N 3.47Å
276	E	97.4	Very high	96.3	Very high	125 Å²	125	39.6 Å²	39.6	58%	0.584	22%	0.221	S	C	*	.			trans	-74.4	-26.7	176.3	-66.8	-63.3	150.3	0	0	112.7	I274 K356	I274-E276 HydrophobicContact CG2-CG 4.5Å; I274-E276 WeakPolarHBondContact CG2-OE1 3.42Å; E276-K356 WeakPolarHBondContact OE2-CG 3.46Å
277	K	97.2	Very high	96.3	Very high	51 Å²	51	38.8 Å²	38.8	22%	0.222	22%	0.216	C	C	.	.	S	Bend	trans	-73.4	134.7	-179.6	-166.7	-176.2	-56.6	-63	0	110.4	T279 D313 N315 Y340	K277-T279 PolarHBondContact O-N 3.26Å; K277-T279 PolarHBondContact O-OG1 3.36Å; K277-D313 IonicContact NZ-OD1 3.71Å; K277-D313 PolarHBondContact NZ-OD1 2.64Å; K277-N315 WeakPolarHBondContact CD-OD1 3.22Å; K277-Y340 HydrophobicContact CD-CD2 4.15Å; K277-Y340 HydrophobicContact CD-CE2 3.71Å; K277-Y340 VanDerWaalsContact CE-CE2 3.46Å; K277-Y340 VanDerWaalsContact CE-CZ 3.42Å; K277-Y340 PolarHBondContact NZ-OH 2.86Å
278	P	98.1	Very high	96.4	Very high	50 Å²	50	39.5 Å²	39.5	33%	0.325	23%	0.226	S	C	.	.			trans	-53.5	130.1	175.2	-25.1	33.9	0	0	0	111.1	I314 N315 D357	P278-I314 HydrophobicContact CB-CG2 4.22Å; P278-I314 CarbonylContact O-C 3.54Å; P278-I314 WeakPolarHBondContact O-CA 3.45Å; P278-N315 PolarHBondContact O-N 3.44Å; P278-D357 WeakPolarHBondContact CA-O 3.5Å
279	T	98.8	Very high	96.4	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.9	-170.6	-62.3	0	0	0	0	112.3	I275 K277 F281 N315 V317 F355 D357 S358 F359	I275-T279 WeakPolarHBondContact CG2-OG1 3.4Å; K277-T279 PolarHBondContact O-N 3.26Å; K277-T279 PolarHBondContact O-OG1 3.36Å; T279-F281 HydrophobicContact CG2-CE1 4.34Å; T279-F281 HydrophobicContact CG2-CZ 4.22Å; T279-N315 CarbonylContact C-O 3.33Å; T279-N315 WeakPolarHBondContact CA-O 3.41Å; T279-N315 HydrophobicContact CG2-CB 4.11Å; T279-V317 HydrophobicContact CG2-CB 4.3Å; T279-V317 HydrophobicContact CG2-CG2 3.54Å; T279-F355 HydrophobicContact CG2-CD1 3.81Å; T279-F355 HydrophobicContact CG2-CE1 3.84Å; T279-D357 PolarHBondContact N-O 2.97Å; T279-S358 CarbonylContact O-C 3.59Å; T279-S358 WeakPolarHBondContact O-CA 3.49Å; T279-S358 WeakPolarHBondContact O-CB 3.31Å; T279-F359 PolarHBondContact O-N 3.05Å
280	V	98.8	Very high	96.6	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	123.9	175.5	-169.7	0	0	0	0	109.9	M282 L300 I314 N315 I316 V317 F359	V280-M282 HydrophobicContact CG1-CG 3.91Å; V280-L300 HydrophobicContact CG1-CD1 3.92Å; V280-I314 HydrophobicContact CG2-CD1 3.92Å; V280-N315 PolarHBondContact N-O 3.15Å; V280-I316 HydrophobicContact CB-CG1 4.38Å; V280-V317 PolarHBondContact O-N 2.71Å; V280-F359 CarbonylContact C-O 3.53Å; V280-F359 WeakPolarHBondContact CA-O 3.46Å; V280-F359 HydrophobicContact CB-CE1 4.47Å; V280-F359 HydrophobicContact CB-CE2 4.32Å; V280-F359 HydrophobicContact CB-CZ 4.15Å; V280-F359 HydrophobicContact CG1-CD2 4.02Å; V280-F359 HydrophobicContact CG1-CE1 4.43Å; V280-F359 HydrophobicContact CG1-CE2 3.45Å; V280-F359 VanDerWaalsContact CG1-CE2 3.45Å; V280-F359 HydrophobicContact CG1-CZ 3.7Å; V280-F359 HydrophobicContact CG2-CD1 4.26Å; V280-F359 HydrophobicContact CG2-CE1 3.52Å; V280-F359 HydrophobicContact CG2-CE2 4.07Å; V280-F359 HydrophobicContact CG2-CZ 3.41Å; V280-F359 VanDerWaalsContact CG2-CZ 3.41Å
281	F	98.9	Very high	96.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	130.6	167.9	-61.5	-71.4	0	0	0	109.9	L203 W251 T279 V317 W319 F355 F359 F360 S361	L203-F281 HydrophobicContact CD2-CE2 3.68Å; L203-F281 HydrophobicContact CD2-CZ 4.17Å; W251-F281 HydrophobicContact CH2-CB 3.95Å; W251-F281 HydrophobicContact CZ2-CB 4.46Å; W251-F281 WeakPolarHBondContact CZ2-O 3.5Å; W251-F281 HydrophobicContact CZ3-CB 4.47Å; T279-F281 HydrophobicContact CG2-CE1 4.34Å; T279-F281 HydrophobicContact CG2-CZ 4.22Å; F281-V317 WeakPolarHBondContact CA-O 3.27Å; F281-V317 HydrophobicContact CD1-CB 3.73Å; F281-V317 HydrophobicContact CD1-CG1 3.82Å; F281-V317 HydrophobicContact CE1-CB 3.92Å; F281-V317 HydrophobicContact CE1-CG1 3.89Å; F281-V317 HydrophobicContact CE1-CG2 4.26Å; F281-W319 HydrophobicContact CB-CE3 4.42Å; F281-W319 AromaticContact CD1-CE3 3.84Å; F281-W319 HydrophobicContact CD1-CE3 3.84Å; F281-W319 HydrophobicContact CD1-CZ3 4.19Å; F281-W319 HydrophobicContact CE1-CE3 4.44Å; F281-W319 HydrophobicContact CE1-CZ3 4.41Å; F281-W319 HydrophobicContact CG-CE3 4.26Å; F281-F355 HydrophobicContact CE1-CE1 4.36Å; F281-F355 HydrophobicContact CE1-CE2 4.38Å; F281-F355 HydrophobicContact CE1-CZ 4.1Å; F281-F355 HydrophobicContact CZ-CD1 4.11Å; F281-F355 AromaticContact CZ-CD2 3.9Å; F281-F355 HydrophobicContact CZ-CD2 3.9Å; F281-F355 AromaticContact CZ-CE1 3.98Å; F281-F355 HydrophobicContact CZ-CE1 3.98Å; F281-F355 AromaticContact CZ-CE2 3.77Å; F281-F355 HydrophobicContact CZ-CE2 3.77Å; F281-F355 HydrophobicContact CZ-CG 4.07Å; F281-F355 AromaticContact CZ-CZ 3.81Å; F281-F355 HydrophobicContact CZ-CZ 3.81Å; F281-F359 PolarHBondContact N-O 3.3Å; F281-F360 HydrophobicContact CB-CD1 3.62Å; F281-F360 HydrophobicContact CB-CE1 3.97Å; F281-F360 HydrophobicContact CB-CG 4.29Å; F281-F360 AromaticContact CD2-CD1 3.88Å; F281-F360 HydrophobicContact CD2-CD1 3.88Å; F281-F360 HydrophobicContact CD2-CD2 4.39Å; F281-F360 AromaticContact CD2-CE1 3.6Å; F281-F360 HydrophobicContact CD2-CE1 3.6Å; F281-F360 HydrophobicContact CD2-CE2 4.14Å; F281-F360 HydrophobicContact CD2-CG 4.27Å; F281-F360 AromaticContact CD2-CZ 3.74Å; F281-F360 HydrophobicContact CD2-CZ 3.74Å; F281-F360 HydrophobicContact CE2-CE1 4.32Å; F281-F360 HydrophobicContact CE2-CZ 4.1Å; F281-F360 HydrophobicContact CG-CD1 4.03Å; F281-F360 AromaticContact CG-CE1 3.89Å; F281-F360 HydrophobicContact CG-CE1 3.89Å; F281-F360 HydrophobicContact CG-CZ 4.47Å; F281-S361 PolarHBondContact O-N 3.45Å; F281-S361 PolarHBondContact O-OG 3Å
282	M	98.3	Very high	96.4	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137.7	-179.6	-65.2	-169.3	68.2	0	0	112.1	V280 L284 D296 L300 I316 V317 W319 W334	V280-M282 HydrophobicContact CG1-CG 3.91Å; M282-L284 HydrophobicContact CB-CD2 4.11Å; M282-L284 HydrophobicContact CE-CD2 3.88Å; M282-D296 HydrophobicContact CE-CB 4.34Å; M282-L300 HydrophobicContact CE-CB 3.8Å; M282-L300 HydrophobicContact CE-CD2 4.29Å; M282-L300 HydrophobicContact CE-CG 4.43Å; M282-L300 HydrophobicContact SD-CB 4.23Å; M282-L300 HydrophobicContact SD-CD1 3.9Å; M282-L300 HydrophobicContact SD-CD2 3.82Å; M282-L300 HydrophobicContact SD-CG 4.2Å; M282-I316 HydrophobicContact CG-CG2 4.14Å; M282-I316 HydrophobicContact SD-CG2 3.77Å; M282-V317 PolarHBondContact N-O 2.97Å; M282-W319 WeakPolarHBondContact O-CB 3.31Å; M282-W319 PolarHBondContact O-N 2.79Å; M282-W334 HydrophobicContact CE-CH2 4.14Å; M282-W334 HydrophobicContact CE-CZ3 4.33Å; M282-W334 HydrophobicContact SD-CH2 3.92Å; M282-W334 HydrophobicContact SD-CZ3 3.75Å
283	K	97.6	Very high	96.3	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.009	16%	0.159	C	C	.	.			trans	-104.2	141	159.4	-61.9	179.1	-166.1	174.9	0	108.3	Y217 P247 L248 S250 W251 E254 W319 L363	Y217-K283 HydrophobicContact CD1-CB 4.09Å; Y217-K283 HydrophobicContact CD1-CD 3.75Å; Y217-K283 HydrophobicContact CD1-CG 3.77Å; Y217-K283 HydrophobicContact CE1-CB 3.6Å; Y217-K283 HydrophobicContact CE1-CD 4.15Å; Y217-K283 HydrophobicContact CE1-CG 3.69Å; Y217-K283 HydrophobicContact CG-CD 4.28Å; P247-K283 WeakPolarHBondContact O-CD 3.42Å; P247-K283 WeakPolarHBondContact O-CE 3.23Å; P247-K283 PolarHBondContact O-NZ 2.89Å; L248-K283 HydrophobicContact CD2-CB 3.64Å; L248-K283 HydrophobicContact CD2-CD 4.36Å; S250-K283 PolarHBondContact O-NZ 2.91Å; W251-K283 HydrophobicContact CH2-CD 4.37Å; W251-K283 HydrophobicContact CH2-CG 3.64Å; W251-K283 HydrophobicContact CZ2-CG 4.15Å; W251-K283 HydrophobicContact CZ3-CD 4.21Å; W251-K283 HydrophobicContact CZ3-CG 3.86Å; E254-K283 WeakPolarHBondContact OE1-CE 3.16Å; E254-K283 IonicContact OE1-NZ 3.48Å; E254-K283 PolarHBondContact OE1-NZ 2.87Å; E254-K283 WeakPolarHBondContact OE2-CE 3.34Å; E254-K283 IonicContact OE2-NZ 3.77Å; E254-K283 PolarHBondContact OE2-NZ 3.01Å; K283-W319 HydrophobicContact CG-CB 4.1Å; K283-W319 HydrophobicContact CG-CG 4.43Å; K283-L363 HydrophobicContact CD-CD2 4.09Å
284	L	96.1	Very high	96.3	Very high	1 Å²	1	27 Å²	27	1%	0.005	15%	0.145	C	C	.	.			trans	-117	145.7	-170.4	-52	178.1	0	0	0	112.1	Y217 M282 D296 M318 Y326 W334	Y217-L284 PolarHBondContact OH-N 3.36Å; Y217-L284 PolarHBondContact OH-O 2.82Å; M282-L284 HydrophobicContact CB-CD2 4.11Å; M282-L284 HydrophobicContact CE-CD2 3.88Å; L284-D296 WeakPolarHBondContact CA-OD1 3.25Å; L284-D296 HydrophobicContact CD2-CB 3.82Å; L284-M318 HydrophobicContact CD1-CE 3.65Å; L284-M318 HydrophobicContact CD1-CG 3.95Å; L284-M318 HydrophobicContact CD1-SD 4.03Å; L284-M318 HydrophobicContact CG-CG 4.42Å; L284-Y326 HydrophobicContact CB-CE2 4.08Å; L284-Y326 WeakPolarHBondContact CB-OH 3.31Å; L284-Y326 HydrophobicContact CD1-CD1 4.36Å; L284-Y326 HydrophobicContact CD1-CE1 3.74Å; L284-Y326 HydrophobicContact CD1-CE2 4.15Å; L284-W334 HydrophobicContact CD1-CH2 4.48Å; L284-W334 HydrophobicContact CD1-CZ2 4.12Å; L284-W334 HydrophobicContact CD2-CH2 3.93Å; L284-W334 HydrophobicContact CD2-CZ2 4.3Å
285	D	94.3	Very high	96.2	Very high	27 Å²	27	23.5 Å²	23.5	14%	0.144	13%	0.127	C	C	.	.	S	Bend	trans	-74.4	-70.8	-178.9	-162.6	33.5	0	0	0	111.6	H292 D296 P364 R365	D285-H292 HydrophobicContact CB-CB 4.21Å; D285-H292 VanDerWaalsContact OD2-CB 3.31Å; D285-H292 WeakPolarHBondContact OD2-CB 3.05Å; D285-H292 IonicContact OD2-CE1 3.61Å; D285-H292 IonicContact OD2-CG 3.02Å; D285-H292 IonicContact OD2-ND1 2.91Å; D285-H292 PolarHBondContact OD2-ND1 2.93Å; D285-D296 PolarHBondContact N-OD1 2.96Å; D285-D296 PolarHBondContact N-OD2 3.36Å; D285-P364 HydrophobicContact CB-CB 3.87Å; D285-P364 HydrophobicContact CB-CG 4.02Å; D285-R365 VanDerWaalsContact CG-NH2 3.27Å; D285-R365 IonicContact OD1-CZ 2.76Å; D285-R365 VanDerWaalsContact OD1-CZ 3.28Å; D285-R365 IonicContact OD1-NE 3.44Å; D285-R365 PolarHBondContact OD1-NE 3.04Å; D285-R365 IonicContact OD1-NH2 2.99Å; D285-R365 PolarHBondContact OD1-NH2 3.03Å; D285-R365 IonicContact OD2-CZ 3.66Å; D285-R365 IonicContact OD2-NE 2.66Å; D285-R365 PolarHBondContact OD2-NE 2.79Å; D285-R365 VanDerWaalsContact OD2-NE 3.09Å; D285-R365 IonicContact OD2-NH2 3.21Å; D285-R365 PolarHBondContact OD2-NH2 3.41Å
286	A	93.5	Very high	96.1	Very high	28 Å²	28	22.5 Å²	22.5	23%	0.231	12%	0.122	C	C	.	.			trans	-163.4	105.2	175.7	0	0	0	0	0	114.1	V288 N289 H292	A286-V288 PolarHBondContact O-N 3.44Å; A286-N289 PolarHBondContact O-N 2.91Å; A286-N289 VanDerWaalsContact O-N 3.13Å; A286-H292 HydrophobicContact CB-CB 3.85Å
287	G	92.9	Very high	96.2	Very high	2 Å²	2	16.5 Å²	16.5	2%	0.021	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-10.4	-177.1	0	0	0	0	0	116.4	Y326 G327 L329 F330	G287-Y326 WeakPolarHBondContact CA-OH 2.99Å; G287-Y326 PolarHBondContact N-OH 2.85Å; G287-G327 CarbonylContact C-O 3.59Å; G287-G327 WeakPolarHBondContact CA-O 3.46Å; G287-L329 PolarHBondContact O-N 3.23Å; G287-F330 WeakPolarHBondContact O-CD2 3.42Å; G287-F330 WeakPolarHBondContact O-CE2 2.98Å
288	V	92.6	Very high	96.3	Very high	96 Å²	96	14.1 Å²	14.1	58%	0.582	8%	0.084	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	0.8	176.2	-61	0	0	0	0	113.8	A286 L329	A286-V288 PolarHBondContact O-N 3.44Å; V288-L329 HydrophobicContact CB-CD1 4.24Å
289	N	93.6	Very high	96.2	Very high	27 Å²	27	11.8 Å²	11.8	14%	0.144	7%	0.068	C	C	.	.	S	Bend	trans	-139.6	119.8	-179	178.9	-47.5	0	0	0	110.5	A286 Y291 H292 H293 A472	A286-N289 PolarHBondContact O-N 2.91Å; A286-N289 VanDerWaalsContact O-N 3.13Å; N289-Y291 VanDerWaalsContact C-N 3.32Å; N289-Y291 PolarHBondContact O-N 3.23Å; N289-Y291 PolarHBondContact OD1-N 2.86Å; N289-H292 HydrophobicContact CB-CB 4.23Å; N289-H292 PolarHBondContact O-N 2.82Å; N289-H292 VanDerWaalsContact O-N 3.14Å; N289-H292 PolarHBondContact OD1-N 2.91Å; N289-H293 PolarHBondContact O-N 2.72Å; N289-A472 WeakPolarHBondContact OD1-CB 3.2Å
290	M	95.3	Very high	96.2	Very high	6 Å²	6	11.8 Å²	11.8	3%	0.03	7%	0.068	C	C	.	.	H	α-helix	trans	-57.9	-39.7	-173.3	-163.9	-173.5	-178.5	0	0	113.5	H293 F294 F330 F453 A472 T475 H476 F479	M290-H293 PolarHBondContact O-N 3.23Å; M290-F294 HydrophobicContact CB-CD2 4.44Å; M290-F294 HydrophobicContact CE-CD2 3.98Å; M290-F294 HydrophobicContact CE-CE2 3.81Å; M290-F294 HydrophobicContact CE-CZ 4.24Å; M290-F294 HydrophobicContact CG-CD2 3.36Å; M290-F294 HydrophobicContact CG-CE2 3.68Å; M290-F294 HydrophobicContact CG-CG 4.34Å; M290-F294 WeakPolarHBondContact O-CB 3.41Å; M290-F294 WeakPolarHBondContact O-CD2 3.33Å; M290-F294 PolarHBondContact O-N 3.19Å; M290-F330 HydrophobicContact CB-CE1 3.79Å; M290-F330 HydrophobicContact CB-CE2 4.14Å; M290-F330 HydrophobicContact CB-CZ 3.51Å; M290-F330 HydrophobicContact CG-CD1 4.34Å; M290-F330 HydrophobicContact CG-CE1 3.87Å; M290-F330 HydrophobicContact CG-CZ 4.08Å; M290-F453 HydrophobicContact CE-CE2 3.98Å; M290-F453 HydrophobicContact CE-CZ 4.1Å; M290-A472 HydrophobicContact CB-CB 4.39Å; M290-T475 HydrophobicContact CE-CG2 4.37Å; M290-T475 HydrophobicContact CG-CG2 4.06Å; M290-T475 HydrophobicContact SD-CG2 4.31Å; M290-H476 PolarHBondContact SD-CD2 2.84Å; M290-H476 PolarHBondContact SD-NE2 3.03Å; M290-F479 HydrophobicContact CE-CD2 4.15Å; M290-F479 HydrophobicContact CE-CE2 3.88Å
291	Y	94.7	Very high	96.2	Very high	17 Å²	17	11.8 Å²	11.8	7%	0.067	7%	0.068	C	C	.	.	H	α-helix	trans	-68	-38.5	-178.9	-172.7	-96.4	0	0	0	111.5	C17 N289 F371 Y372 T475 C497 Y498 L501	C17-Y291 WeakPolarHBondContact SG-CE1 3.41Å; N289-Y291 VanDerWaalsContact C-N 3.32Å; N289-Y291 PolarHBondContact O-N 3.23Å; N289-Y291 PolarHBondContact OD1-N 2.86Å; Y291-F371 HydrophobicContact CD1-CE1 4.24Å; Y291-F371 AromaticContact CD2-CE1 4Å; Y291-F371 HydrophobicContact CD2-CE1 4Å; Y291-F371 HydrophobicContact CD2-CZ 4.1Å; Y291-F371 HydrophobicContact CE1-CE1 4Å; Y291-F371 AromaticContact CE2-CE1 3.77Å; Y291-F371 HydrophobicContact CE2-CE1 3.77Å; Y291-F371 HydrophobicContact CE2-CZ 4.17Å; Y291-F371 HydrophobicContact CG-CE1 4.23Å; Y291-F371 HydrophobicContact CG-CZ 4.49Å; Y291-F371 AromaticContact CZ-CE1 3.76Å; Y291-F371 WeakPolarHBondContact O-CE1 3.35Å; Y291-F371 VanDerWaalsContact O-CZ 3.28Å; Y291-F371 WeakPolarHBondContact O-CZ 3.31Å; Y291-Y372 HydrophobicContact CD1-CE1 4.48Å; Y291-Y372 AromaticContact CD1-CZ 3.92Å; Y291-Y372 WeakPolarHBondContact CD1-OH 3.42Å; Y291-Y372 AromaticContact CE1-CE1 3.68Å; Y291-Y372 HydrophobicContact CE1-CE1 3.68Å; Y291-Y372 HydrophobicContact CE1-CE2 4.48Å; Y291-Y372 AromaticContact CE1-CZ 3.53Å; Y291-Y372 WeakPolarHBondContact CE1-OH 3.31Å; Y291-T475 VanDerWaalsContact CA-OG1 3.3Å; Y291-T475 WeakPolarHBondContact CA-OG1 3.43Å; Y291-T475 WeakPolarHBondContact CB-OG1 3.38Å; Y291-T475 PolarHBondContact N-OG1 2.94Å; Y291-C497 PolarHBondContact OH-SG 3.41Å; Y291-C497 VanDerWaalsContact OH-SG 3.41Å; Y291-Y498 AromaticContact CD2-CE1 3.63Å; Y291-Y498 HydrophobicContact CD2-CE1 3.63Å; Y291-Y498 AromaticContact CD2-CZ 3.88Å; Y291-Y498 HydrophobicContact CE2-CD1 4.5Å; Y291-Y498 AromaticContact CE2-CE1 3.93Å; Y291-Y498 HydrophobicContact CE2-CE1 3.93Å; Y291-L501 HydrophobicContact CD2-CD2 4.47Å; Y291-L501 HydrophobicContact CE2-CD2 4.15Å
292	H	94.4	Very high	96.2	Very high	34 Å²	34	11.8 Å²	11.8	16%	0.157	7%	0.068	C	C	.	.	H	α-helix	trans	-69.1	-49.5	173.4	-69.8	-56.5	0	0	0	111.3	D285 A286 N289 C295 R365 Y372	D285-H292 HydrophobicContact CB-CB 4.21Å; D285-H292 VanDerWaalsContact OD2-CB 3.31Å; D285-H292 WeakPolarHBondContact OD2-CB 3.05Å; D285-H292 IonicContact OD2-CE1 3.61Å; D285-H292 IonicContact OD2-CG 3.02Å; D285-H292 IonicContact OD2-ND1 2.91Å; D285-H292 PolarHBondContact OD2-ND1 2.93Å; A286-H292 HydrophobicContact CB-CB 3.85Å; N289-H292 HydrophobicContact CB-CB 4.23Å; N289-H292 PolarHBondContact O-N 2.82Å; N289-H292 VanDerWaalsContact O-N 3.14Å; N289-H292 PolarHBondContact OD1-N 2.91Å; H292-C295 PolarHBondContact O-N 3.31Å; H292-C295 PolarHBondContact O-SG 3.11Å; H292-R365 PolarHBondContact CE1-NH2 3.33Å; H292-R365 VanDerWaalsContact CE1-NH2 3.3Å; H292-R365 PolarHBondContact ND1-NH2 3.32Å; H292-R365 VanDerWaalsContact ND1-NH2 3.15Å; H292-Y372 PolarHBondContact CE1-OH 2.84Å; H292-Y372 AromaticContact ND1-CZ 3.91Å; H292-Y372 PolarHBondContact ND1-OH 3.31Å
293	H	96	Very high	96.2	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-73.2	-33.3	-173.9	-156.2	24.6	0	0	0	114.1	N289 M290 C295 D296 F297 D328 F330 W334	N289-H293 PolarHBondContact O-N 2.72Å; M290-H293 PolarHBondContact O-N 3.23Å; H293-C295 PolarHBondContact O-N 3.47Å; H293-D296 IonicContact CE1-OD2 3.49Å; H293-D296 IonicContact CG-OD2 2.71Å; H293-D296 IonicContact ND1-OD2 3.18Å; H293-D296 PolarHBondContact ND1-OD2 3.03Å; H293-D296 WeakPolarHBondContact O-CA 3.36Å; H293-D296 VanDerWaalsContact O-CB 3.24Å; H293-D296 WeakPolarHBondContact O-CB 3.39Å; H293-D296 PolarHBondContact O-N 3.39Å; H293-F297 AromaticContact CD2-CE2 3.52Å; H293-F297 AromaticContact CD2-CZ 3.81Å; H293-F297 AromaticContact CE1-CZ 3.99Å; H293-F297 AromaticContact CG-CE2 3.96Å; H293-F297 AromaticContact NE2-CE2 3.66Å; H293-F297 AromaticContact NE2-CZ 3.45Å; H293-F297 WeakPolarHBondContact NE2-CZ 3.21Å; H293-F297 PolarHBondContact O-N 2.91Å; H293-D328 IonicContact CD2-OD1 2.73Å; H293-D328 PolarHBondContact CD2-OD1 3.37Å; H293-D328 IonicContact NE2-OD1 3.09Å; H293-D328 PolarHBondContact NE2-OD1 2.97Å; H293-D328 IonicContact NE2-OD2 2.73Å; H293-D328 PolarHBondContact NE2-OD2 3.43Å; H293-F330 HydrophobicContact CB-CD2 4.14Å; H293-W334 AromaticContact CE1-CZ2 3.81Å; H293-W334 AromaticContact NE2-CZ2 3.91Å
294	F	97.4	Very high	96.3	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-69.8	-16.6	179	-87	-92	0	0	0	114.3	M290 D296 F297 V298 F330 T333 F371 F389 F453 T475 L478 F479	M290-F294 HydrophobicContact CB-CD2 4.44Å; M290-F294 HydrophobicContact CE-CD2 3.98Å; M290-F294 HydrophobicContact CE-CE2 3.81Å; M290-F294 HydrophobicContact CE-CZ 4.24Å; M290-F294 HydrophobicContact CG-CD2 3.36Å; M290-F294 HydrophobicContact CG-CE2 3.68Å; M290-F294 HydrophobicContact CG-CG 4.34Å; M290-F294 WeakPolarHBondContact O-CB 3.41Å; M290-F294 WeakPolarHBondContact O-CD2 3.33Å; M290-F294 PolarHBondContact O-N 3.19Å; F294-D296 VanDerWaalsContact C-N 3.28Å; F294-F297 HydrophobicContact CD1-CB 4.47Å; F294-F297 AromaticContact CD1-CD2 3.98Å; F294-F297 HydrophobicContact CD1-CD2 3.98Å; F294-F297 HydrophobicContact CD2-CD2 4.31Å; F294-F297 AromaticContact CE1-CD2 3.9Å; F294-F297 HydrophobicContact CE1-CD2 3.9Å; F294-F297 HydrophobicContact CE2-CD2 4.27Å; F294-F297 HydrophobicContact CE2-CE2 4.34Å; F294-F297 HydrophobicContact CG-CD2 4.17Å; F294-F297 HydrophobicContact CZ-CD2 4.05Å; F294-F297 HydrophobicContact CZ-CE2 4.28Å; F294-V298 WeakPolarHBondContact O-CB 3.34Å; F294-V298 VanDerWaalsContact O-CG2 3.31Å; F294-V298 WeakPolarHBondContact O-CG2 3.32Å; F294-V298 PolarHBondContact O-N 3.27Å; F294-F330 HydrophobicContact CE2-CB 4.08Å; F294-F330 HydrophobicContact CE2-CD1 4.04Å; F294-F330 HydrophobicContact CE2-CG 4.01Å; F294-T333 HydrophobicContact CE1-CG2 3.92Å; F294-T333 HydrophobicContact CZ-CG2 3.96Å; F294-F371 HydrophobicContact CB-CE2 4.19Å; F294-F371 HydrophobicContact CB-CZ 4.45Å; F294-F389 HydrophobicContact CD1-CE1 4.25Å; F294-F389 AromaticContact CD1-CZ 3.99Å; F294-F389 HydrophobicContact CD1-CZ 3.99Å; F294-F389 HydrophobicContact CE1-CZ 4.37Å; F294-F453 HydrophobicContact CE2-CE1 4.42Å; F294-F453 HydrophobicContact CE2-CE2 4.49Å; F294-F453 AromaticContact CE2-CZ 3.8Å; F294-F453 HydrophobicContact CE2-CZ 3.8Å; F294-F453 AromaticContact CZ-CE1 3.91Å; F294-F453 HydrophobicContact CZ-CE1 3.91Å; F294-F453 AromaticContact CZ-CZ 3.51Å; F294-F453 HydrophobicContact CZ-CZ 3.51Å; F294-T475 HydrophobicContact CB-CG2 3.93Å; F294-T475 HydrophobicContact CG-CG2 4.37Å; F294-L478 HydrophobicContact CB-CD1 4.15Å; F294-L478 HydrophobicContact CD1-CD1 4.27Å; F294-L478 HydrophobicContact CG-CD1 4.45Å; F294-F479 AromaticContact CD1-CE2 3.95Å; F294-F479 HydrophobicContact CD1-CE2 3.95Å; F294-F479 AromaticContact CD1-CZ 3.8Å; F294-F479 HydrophobicContact CD1-CZ 3.8Å; F294-F479 AromaticContact CE1-CE2 3.6Å; F294-F479 HydrophobicContact CE1-CE2 3.6Å; F294-F479 AromaticContact CE1-CZ 3.41Å; F294-F479 HydrophobicContact CE1-CZ 3.41Å; F294-F479 VanDerWaalsContact CE1-CZ 3.41Å; F294-F479 HydrophobicContact CZ-CE2 4.12Å; F294-F479 HydrophobicContact CZ-CZ 4.28Å
295	C	95.8	Very high	96.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-69.7	-28.1	167.7	89.4	0	0	0	0	112	H292 H293 N299 P364 F371 Y372	H292-C295 PolarHBondContact O-N 3.31Å; H292-C295 PolarHBondContact O-SG 3.11Å; H293-C295 PolarHBondContact O-N 3.47Å; C295-N299 WeakPolarHBondContact O-CB 3.37Å; C295-N299 PolarHBondContact O-N 3.12Å; C295-N299 PolarHBondContact O-ND2 3.23Å; C295-P364 WeakPolarHBondContact SG-CB 3.39Å; C295-F371 HydrophobicContact CB-CB 3.89Å; C295-F371 HydrophobicContact CB-CD1 3.38Å; C295-F371 HydrophobicContact CB-CD2 3.86Å; C295-F371 HydrophobicContact CB-CE1 3.74Å; C295-F371 HydrophobicContact CB-CE2 4.18Å; C295-F371 HydrophobicContact CB-CG 3.45Å; C295-F371 VanDerWaalsContact CB-CG 3.45Å; C295-F371 HydrophobicContact CB-CZ 4.14Å; C295-Y372 HydrophobicContact CB-CD2 3.86Å; C295-Y372 HydrophobicContact CB-CE2 3.96Å; C295-Y372 VanDerWaalsContact SG-CE2 3.59Å
296	D	97.3	Very high	96.5	Very high	2 Å²	2	11.1 Å²	11.1	1%	0.011	6%	0.064	C	C	.	.	H	α-helix	trans	-67.9	-48	174.2	-54.9	-45.9	0	0	0	110.6	M282 L284 D285 H293 F294 N299 L300 P364	M282-D296 HydrophobicContact CE-CB 4.34Å; L284-D296 WeakPolarHBondContact CA-OD1 3.25Å; L284-D296 HydrophobicContact CD2-CB 3.82Å; D285-D296 PolarHBondContact N-OD1 2.96Å; D285-D296 PolarHBondContact N-OD2 3.36Å; H293-D296 IonicContact CE1-OD2 3.49Å; H293-D296 IonicContact CG-OD2 2.71Å; H293-D296 IonicContact ND1-OD2 3.18Å; H293-D296 PolarHBondContact ND1-OD2 3.03Å; H293-D296 WeakPolarHBondContact O-CA 3.36Å; H293-D296 VanDerWaalsContact O-CB 3.24Å; H293-D296 WeakPolarHBondContact O-CB 3.39Å; H293-D296 PolarHBondContact O-N 3.39Å; F294-D296 VanDerWaalsContact C-N 3.28Å; D296-N299 PolarHBondContact O-N 3.32Å; D296-L300 PolarHBondContact O-N 2.76Å; D296-P364 WeakPolarHBondContact OD1-CB 3.46Å; D296-P364 WeakPolarHBondContact OD1-CG 3.48Å
297	F	98.6	Very high	96.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.5	-40.7	177.5	-64.9	-58	0	0	0	112.9	H293 F294 L300 Y301 F330 T333 W334 F337 F389	H293-F297 AromaticContact CD2-CE2 3.52Å; H293-F297 AromaticContact CD2-CZ 3.81Å; H293-F297 AromaticContact CE1-CZ 3.99Å; H293-F297 AromaticContact CG-CE2 3.96Å; H293-F297 AromaticContact NE2-CE2 3.66Å; H293-F297 AromaticContact NE2-CZ 3.45Å; H293-F297 WeakPolarHBondContact NE2-CZ 3.21Å; H293-F297 PolarHBondContact O-N 2.91Å; F294-F297 HydrophobicContact CD1-CB 4.47Å; F294-F297 AromaticContact CD1-CD2 3.98Å; F294-F297 HydrophobicContact CD1-CD2 3.98Å; F294-F297 HydrophobicContact CD2-CD2 4.31Å; F294-F297 AromaticContact CE1-CD2 3.9Å; F294-F297 HydrophobicContact CE1-CD2 3.9Å; F294-F297 HydrophobicContact CE2-CD2 4.27Å; F294-F297 HydrophobicContact CE2-CE2 4.34Å; F294-F297 HydrophobicContact CG-CD2 4.17Å; F294-F297 HydrophobicContact CZ-CD2 4.05Å; F294-F297 HydrophobicContact CZ-CE2 4.28Å; F297-L300 PolarHBondContact O-N 2.95Å; F297-Y301 PolarHBondContact O-N 3.49Å; F297-F330 HydrophobicContact CE2-CB 4.41Å; F297-T333 HydrophobicContact CD1-CG2 3.9Å; F297-T333 HydrophobicContact CD2-CG2 3.75Å; F297-T333 HydrophobicContact CE1-CG2 3.94Å; F297-T333 HydrophobicContact CE2-CG2 3.8Å; F297-T333 HydrophobicContact CG-CG2 3.83Å; F297-T333 HydrophobicContact CZ-CG2 3.92Å; F297-W334 HydrophobicContact CD1-CE3 4.37Å; F297-W334 HydrophobicContact CD1-CH2 4.4Å; F297-W334 HydrophobicContact CD1-CZ3 4.25Å; F297-W334 AromaticContact CE1-CD2 3.59Å; F297-W334 HydrophobicContact CE1-CD2 3.59Å; F297-W334 AromaticContact CE1-CE2 3.61Å; F297-W334 AromaticContact CE1-CE3 3.67Å; F297-W334 HydrophobicContact CE1-CE3 3.67Å; F297-W334 HydrophobicContact CE1-CG 4.25Å; F297-W334 AromaticContact CE1-CH2 3.81Å; F297-W334 HydrophobicContact CE1-CH2 3.81Å; F297-W334 AromaticContact CE1-CZ2 3.73Å; F297-W334 HydrophobicContact CE1-CZ2 3.73Å; F297-W334 AromaticContact CE1-CZ3 3.79Å; F297-W334 HydrophobicContact CE1-CZ3 3.79Å; F297-W334 HydrophobicContact CZ-CD2 4.19Å; F297-W334 AromaticContact CZ-CE2 3.84Å; F297-W334 HydrophobicContact CZ-CH2 4.48Å; F297-W334 AromaticContact CZ-CZ2 4Å; F297-W334 HydrophobicContact CZ-CZ2 4Å; F297-F337 HydrophobicContact CB-CE2 4.12Å; F297-F337 HydrophobicContact CB-CZ 4.36Å; F297-F337 HydrophobicContact CD1-CD2 4.06Å; F297-F337 AromaticContact CD1-CE2 3.74Å; F297-F337 HydrophobicContact CD1-CE2 3.74Å; F297-F337 HydrophobicContact CG-CE2 4.27Å; F297-F389 HydrophobicContact CB-CE2 3.9Å; F297-F389 HydrophobicContact CB-CZ 3.9Å
298	V	98.4	Very high	96.8	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.006	7%	0.074	C	C	.	.	H	α-helix	trans	-63.9	-44.6	175.1	167	0	0	0	0	110.7	F294 L300 Y301 I302 F371 F386 F389	F294-V298 WeakPolarHBondContact O-CB 3.34Å; F294-V298 VanDerWaalsContact O-CG2 3.31Å; F294-V298 WeakPolarHBondContact O-CG2 3.32Å; F294-V298 PolarHBondContact O-N 3.27Å; V298-L300 VanDerWaalsContact C-N 3.33Å; V298-L300 PolarHBondContact O-N 3.39Å; V298-Y301 PolarHBondContact O-N 3.2Å; V298-I302 HydrophobicContact CG1-CD1 3.75Å; V298-I302 WeakPolarHBondContact O-CD1 3.36Å; V298-I302 VanDerWaalsContact O-CG1 3.24Å; V298-I302 WeakPolarHBondContact O-CG1 3.45Å; V298-I302 PolarHBondContact O-N 3.06Å; V298-F371 HydrophobicContact CB-CD2 4.26Å; V298-F371 HydrophobicContact CG2-CD2 4.06Å; V298-F371 HydrophobicContact CG2-CE2 4.47Å; V298-F386 HydrophobicContact CG1-CE1 3.95Å; V298-F386 HydrophobicContact CG1-CE2 4.44Å; V298-F386 HydrophobicContact CG1-CZ 3.85Å; V298-F386 HydrophobicContact CG2-CD1 4.39Å; V298-F386 HydrophobicContact CG2-CE1 4.13Å; V298-F389 HydrophobicContact CB-CE2 4.45Å; V298-F389 HydrophobicContact CG2-CD1 3.73Å; V298-F389 HydrophobicContact CG2-CD2 3.96Å; V298-F389 HydrophobicContact CG2-CE1 3.6Å; V298-F389 HydrophobicContact CG2-CE2 3.8Å; V298-F389 HydrophobicContact CG2-CG 3.92Å; V298-F389 HydrophobicContact CG2-CZ 3.63Å
299	N	98	Very high	96.9	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-66	-33.4	176.9	-81.3	-65.6	0	0	0	112.7	C295 D296 S303 L362 M366	C295-N299 WeakPolarHBondContact O-CB 3.37Å; C295-N299 PolarHBondContact O-N 3.12Å; C295-N299 PolarHBondContact O-ND2 3.23Å; D296-N299 PolarHBondContact O-N 3.32Å; N299-S303 WeakPolarHBondContact O-CB 3.3Å; N299-S303 PolarHBondContact O-N 2.84Å; N299-S303 PolarHBondContact O-OG 3.24Å; N299-L362 HydrophobicContact CB-CB 3.95Å; N299-M366 WeakPolarHBondContact OD1-CE 3.49Å
300	L	98.7	Very high	96.8	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-62.6	-48.4	170.9	177.9	58	0	0	0	112.1	V280 M282 D296 F297 V298 I302 S303 Q304 I316 W334 F337	V280-L300 HydrophobicContact CG1-CD1 3.92Å; M282-L300 HydrophobicContact CE-CB 3.8Å; M282-L300 HydrophobicContact CE-CD2 4.29Å; M282-L300 HydrophobicContact CE-CG 4.43Å; M282-L300 HydrophobicContact SD-CB 4.23Å; M282-L300 HydrophobicContact SD-CD1 3.9Å; M282-L300 HydrophobicContact SD-CD2 3.82Å; M282-L300 HydrophobicContact SD-CG 4.2Å; D296-L300 PolarHBondContact O-N 2.76Å; F297-L300 PolarHBondContact O-N 2.95Å; V298-L300 VanDerWaalsContact C-N 3.33Å; V298-L300 PolarHBondContact O-N 3.39Å; L300-I302 PolarHBondContact O-N 2.99Å; L300-S303 CarbonylContact O-C 3.53Å; L300-S303 WeakPolarHBondContact O-CA 3.17Å; L300-S303 VanDerWaalsContact O-CB 3.31Å; L300-S303 WeakPolarHBondContact O-CB 3.32Å; L300-S303 PolarHBondContact O-N 3.32Å; L300-Q304 PolarHBondContact O-N 2.92Å; L300-I316 HydrophobicContact CD2-CD1 3.91Å; L300-W334 HydrophobicContact CD2-CZ3 4Å; L300-F337 HydrophobicContact CD2-CB 3.72Å; L300-F337 HydrophobicContact CD2-CD1 3.59Å; L300-F337 HydrophobicContact CD2-CD2 4Å; L300-F337 HydrophobicContact CD2-CE1 4.23Å; L300-F337 HydrophobicContact CD2-CG 3.47Å; L300-F337 VanDerWaalsContact CD2-CG 3.47Å; L300-F337 HydrophobicContact CG-CD1 3.84Å; L300-F337 HydrophobicContact CG-CE1 4.22Å; L300-F337 HydrophobicContact CG-CG 4.25Å
301	Y	98.7	Very high	96.7	Very high	1 Å²	1	12.6 Å²	12.6	0%	0.004	7%	0.07	C	C	.	.	H	α-helix	trans	-59.6	-44.3	178	-179.4	-101.7	0	0	0	112.3	F297 V298 S303 Q304 H305 M310 F337 M385 A388 F389 H392	F297-Y301 PolarHBondContact O-N 3.49Å; V298-Y301 PolarHBondContact O-N 3.2Å; Y301-S303 VanDerWaalsContact C-N 3.28Å; Y301-S303 PolarHBondContact O-N 2.79Å; Y301-Q304 WeakPolarHBondContact O-CB 3.29Å; Y301-Q304 PolarHBondContact O-N 3.06Å; Y301-H305 AromaticContact CE1-CD2 3.69Å; Y301-H305 AromaticContact CE1-NE2 3.41Å; Y301-H305 WeakPolarHBondContact CE1-NE2 3.12Å; Y301-H305 AromaticContact CZ-CD2 3.92Å; Y301-H305 AromaticContact CZ-NE2 3.3Å; Y301-H305 VanDerWaalsContact CZ-NE2 3.3Å; Y301-H305 PolarHBondContact O-CD2 3.46Å; Y301-H305 PolarHBondContact O-N 3.46Å; Y301-H305 PolarHBondContact OH-NE2 3.22Å; Y301-H305 VanDerWaalsContact OH-NE2 3.14Å; Y301-M310 HydrophobicContact CE2-CE 4.11Å; Y301-M310 HydrophobicContact CE2-SD 4.49Å; Y301-F337 HydrophobicContact CD2-CE1 4.35Å; Y301-M385 HydrophobicContact CD1-SD 3.94Å; Y301-M385 HydrophobicContact CE1-SD 3.83Å; Y301-A388 HydrophobicContact CE1-CB 4.31Å; Y301-A388 WeakPolarHBondContact OH-CB 3.32Å; Y301-F389 HydrophobicContact CD1-CB 3.87Å; Y301-F389 HydrophobicContact CD1-CD2 4.25Å; Y301-F389 HydrophobicContact CE1-CB 4.13Å; Y301-F389 HydrophobicContact CG-CB 4.31Å; Y301-F389 AromaticContact CG-CD2 3.92Å; Y301-F389 HydrophobicContact CG-CD2 3.92Å; Y301-H392 HydrophobicContact CD2-CB 4.2Å; Y301-H392 AromaticContact CD2-CD2 3.98Å; Y301-H392 AromaticContact CD2-CG 3.92Å; Y301-H392 HydrophobicContact CE2-CB 3.62Å; Y301-H392 AromaticContact CE2-CG 3.57Å; Y301-H392 AromaticContact CE2-ND1 3.87Å
302	I	98.4	Very high	96.7	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.2	-39.1	173.8	-59.8	157.7	0	0	0	110.4	Y167 V168 V298 L300 Q304 H305 I306 L362 L370 M385	Y167-I302 HydrophobicContact CD1-CG2 4.14Å; Y167-I302 HydrophobicContact CE1-CG2 4.47Å; V168-I302 HydrophobicContact CG2-CG2 3.94Å; V298-I302 HydrophobicContact CG1-CD1 3.75Å; V298-I302 WeakPolarHBondContact O-CD1 3.36Å; V298-I302 VanDerWaalsContact O-CG1 3.24Å; V298-I302 WeakPolarHBondContact O-CG1 3.45Å; V298-I302 PolarHBondContact O-N 3.06Å; L300-I302 PolarHBondContact O-N 2.99Å; I302-Q304 VanDerWaalsContact C-N 3.34Å; I302-Q304 PolarHBondContact O-N 3.13Å; I302-H305 WeakPolarHBondContact O-CB 3.14Å; I302-H305 PolarHBondContact O-N 2.86Å; I302-I306 HydrophobicContact CG2-CD1 4.26Å; I302-I306 WeakPolarHBondContact O-CG1 3.17Å; I302-I306 PolarHBondContact O-N 3.31Å; I302-L362 HydrophobicContact CB-CD1 3.9Å; I302-L362 HydrophobicContact CG2-CD1 3.41Å; I302-L362 VanDerWaalsContact CG2-CD1 3.41Å; I302-L370 HydrophobicContact CD1-CB 4Å; I302-L370 HydrophobicContact CD1-CD2 3.74Å; I302-L370 HydrophobicContact CD1-CG 4.18Å; I302-M385 HydrophobicContact CG1-CE 4.23Å; I302-M385 HydrophobicContact CG1-CG 4.2Å; I302-M385 HydrophobicContact CG1-SD 3.76Å
303	S	98.6	Very high	96.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-65.5	-34	177	-56.3	0	0	0	0	112.8	N299 L300 Y301 I306 N307 L362	N299-S303 WeakPolarHBondContact O-CB 3.3Å; N299-S303 PolarHBondContact O-N 2.84Å; N299-S303 PolarHBondContact O-OG 3.24Å; L300-S303 CarbonylContact O-C 3.53Å; L300-S303 WeakPolarHBondContact O-CA 3.17Å; L300-S303 VanDerWaalsContact O-CB 3.31Å; L300-S303 WeakPolarHBondContact O-CB 3.32Å; L300-S303 PolarHBondContact O-N 3.32Å; Y301-S303 VanDerWaalsContact C-N 3.28Å; Y301-S303 PolarHBondContact O-N 2.79Å; S303-I306 PolarHBondContact O-N 3.48Å; S303-N307 VanDerWaalsContact O-CB 3.25Å; S303-N307 WeakPolarHBondContact O-CB 3.26Å; S303-N307 PolarHBondContact O-N 3.43Å; S303-L362 PolarHBondContact OG-N 3.36Å
304	Q	98.1	Very high	96.8	Very high	3 Å²	3	12.2 Å²	12.2	1%	0.014	7%	0.071	C	C	.	.	H	α-helix	trans	-64.6	-37	172.6	-75.2	179.6	-44.2	0	0	112.1	L300 Y301 I302 N308 S309 M310	L300-Q304 PolarHBondContact O-N 2.92Å; Y301-Q304 WeakPolarHBondContact O-CB 3.29Å; Y301-Q304 PolarHBondContact O-N 3.06Å; I302-Q304 VanDerWaalsContact C-N 3.34Å; I302-Q304 PolarHBondContact O-N 3.13Å; Q304-N308 WeakPolarHBondContact O-CA 3.43Å; Q304-N308 PolarHBondContact O-N 2.9Å; Q304-S309 VanDerWaalsContact CB-O 3.31Å; Q304-S309 WeakPolarHBondContact CB-O 3.43Å; Q304-S309 PolarHBondContact O-N 3.02Å; Q304-M310 HydrophobicContact CB-CE 4.12Å; Q304-M310 HydrophobicContact CB-SD 3.62Å; Q304-M310 HydrophobicContact CG-SD 4.47Å
305	H	98.2	Very high	96.8	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.019	8%	0.076	C	C	.	.	H	α-helix	trans	-64.6	-45.6	170	-79.9	-78.8	0	0	0	112.5	W124 Y126 F165 V168 Y301 I302 N307 N308 M310	W124-H305 AromaticContact CD2-CE1 3.75Å; W124-H305 AromaticContact CE2-CE1 3.71Å; W124-H305 AromaticContact CE3-CE1 3.95Å; W124-H305 AromaticContact CZ2-CE1 3.87Å; Y126-H305 HydrophobicContact CE1-CB 4.23Å; Y126-H305 AromaticContact CE1-ND1 3.62Å; Y126-H305 AromaticContact CZ-ND1 3.78Å; Y126-H305 PolarHBondContact OH-ND1 2.78Å; Y126-H305 VanDerWaalsContact OH-ND1 3.09Å; F165-H305 AromaticContact CE1-CE1 3.58Å; F165-H305 AromaticContact CE1-NE2 3.53Å; V168-H305 HydrophobicContact CG1-CB 4.05Å; V168-H305 HydrophobicContact CG2-CB 3.96Å; Y301-H305 AromaticContact CE1-CD2 3.69Å; Y301-H305 AromaticContact CE1-NE2 3.41Å; Y301-H305 WeakPolarHBondContact CE1-NE2 3.12Å; Y301-H305 AromaticContact CZ-CD2 3.92Å; Y301-H305 AromaticContact CZ-NE2 3.3Å; Y301-H305 VanDerWaalsContact CZ-NE2 3.3Å; Y301-H305 PolarHBondContact O-CD2 3.46Å; Y301-H305 PolarHBondContact O-N 3.46Å; Y301-H305 PolarHBondContact OH-NE2 3.22Å; Y301-H305 VanDerWaalsContact OH-NE2 3.14Å; I302-H305 WeakPolarHBondContact O-CB 3.14Å; I302-H305 PolarHBondContact O-N 2.86Å; H305-N307 VanDerWaalsContact C-N 3.32Å; H305-N307 PolarHBondContact O-N 2.8Å; H305-N308 PolarHBondContact O-N 2.71Å; H305-N308 VanDerWaalsContact O-N 3.1Å; H305-M310 HydrophobicContact CB-CE 4.48Å; H305-M310 WeakPolarHBondContact CD2-CE 3.32Å; H305-M310 VanDerWaalsContact CE1-CE 3.41Å; H305-M310 WeakPolarHBondContact CE1-CE 3.49Å; H305-M310 WeakPolarHBondContact NE2-CE 3.31Å
306	I	98.2	Very high	97	Very high	11 Å²	11	13.2 Å²	13.2	6%	0.056	8%	0.076	C	C	.	.	H	α-helix	trans	-61.8	-41.2	176.6	-62.9	167.8	0	0	0	110.9	V168 R171 L172 F197 I302 S303 N308 L362	V168-I306 HydrophobicContact CG1-CG1 3.97Å; R171-I306 HydrophobicContact CB-CD1 3.64Å; R171-I306 HydrophobicContact CB-CG1 4.22Å; R171-I306 HydrophobicContact CG-CD1 3.9Å; L172-I306 HydrophobicContact CD2-CG2 4Å; F197-I306 HydrophobicContact CD1-CG2 3.72Å; F197-I306 HydrophobicContact CD2-CB 4.45Å; F197-I306 HydrophobicContact CD2-CD1 4.43Å; F197-I306 HydrophobicContact CD2-CG2 4.17Å; F197-I306 HydrophobicContact CE1-CG2 3.56Å; F197-I306 HydrophobicContact CE2-CB 4.19Å; F197-I306 HydrophobicContact CE2-CG2 4.01Å; F197-I306 HydrophobicContact CG-CG2 4.04Å; F197-I306 HydrophobicContact CZ-CB 4.26Å; F197-I306 HydrophobicContact CZ-CG2 3.71Å; I302-I306 HydrophobicContact CG2-CD1 4.26Å; I302-I306 WeakPolarHBondContact O-CG1 3.17Å; I302-I306 PolarHBondContact O-N 3.31Å; S303-I306 PolarHBondContact O-N 3.48Å; I306-N308 PolarHBondContact O-N 2.91Å; I306-L362 HydrophobicContact CD1-CD1 3.77Å; I306-L362 HydrophobicContact CD1-CD2 4.26Å; I306-L362 HydrophobicContact CD1-CG 4.09Å
307	N	97.1	Very high	97	Very high	18 Å²	18	13.1 Å²	13.1	10%	0.096	8%	0.076	C	C	.	.	H	α-helix	trans	-74.8	-11.1	177.3	-166.9	51.3	0	0	0	113.6	F197 R199 S303 H305 F359	F197-N307 HydrophobicContact CZ-CB 4.22Å; R199-N307 PolarHBondContact NH1-OD1 2.7Å; S303-N307 VanDerWaalsContact O-CB 3.25Å; S303-N307 WeakPolarHBondContact O-CB 3.26Å; S303-N307 PolarHBondContact O-N 3.43Å; H305-N307 VanDerWaalsContact C-N 3.32Å; H305-N307 PolarHBondContact O-N 2.8Å; N307-F359 HydrophobicContact CB-CD1 4Å; N307-F359 HydrophobicContact CB-CE1 3.86Å; N307-F359 HydrophobicContact CB-CZ 4.25Å; N307-F359 VanDerWaalsContact CG-CD1 3.42Å; N307-F359 WeakPolarHBondContact ND2-CD1 3.32Å; N307-F359 VanDerWaalsContact ND2-CE1 3.25Å; N307-F359 WeakPolarHBondContact ND2-CE1 3.42Å
308	N	95.3	Very high	97	Very high	69 Å²	69	13.5 Å²	13.5	37%	0.369	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	48.7	-172.8	-170.5	56.6	0	0	0	113.8	N97 N98 Q304 H305 I306	N97-N308 PolarHBondContact ND2-OD1 3.25Å; N98-N308 PolarHBondContact OD1-ND2 3.21Å; N98-N308 VanDerWaalsContact OD1-ND2 3.1Å; Q304-N308 WeakPolarHBondContact O-CA 3.43Å; Q304-N308 PolarHBondContact O-N 2.9Å; H305-N308 PolarHBondContact O-N 2.71Å; H305-N308 VanDerWaalsContact O-N 3.1Å; I306-N308 PolarHBondContact O-N 2.91Å
309	S	93.6	Very high	97	Very high	45 Å²	45	13.5 Å²	13.5	32%	0.315	8%	0.078	S	C	.	.			trans	-151.2	126.9	173.9	-176.3	0	0	0	0	111.7	Q304	Q304-S309 VanDerWaalsContact CB-O 3.31Å; Q304-S309 WeakPolarHBondContact CB-O 3.43Å; Q304-S309 PolarHBondContact O-N 3.02Å
310	M	92.8	Very high	96.9	Very high	26 Å²	26	13.6 Å²	13.6	13%	0.128	8%	0.078	C	C	.	.			trans	-109.1	17.3	176.4	-63.6	-61.3	-176.2	0	0	112.9	L86 Y301 Q304 H305	L86-M310 HydrophobicContact CD2-CB 3.94Å; L86-M310 HydrophobicContact CD2-CG 4.2Å; Y301-M310 HydrophobicContact CE2-CE 4.11Å; Y301-M310 HydrophobicContact CE2-SD 4.49Å; Q304-M310 HydrophobicContact CB-CE 4.12Å; Q304-M310 HydrophobicContact CB-SD 3.62Å; Q304-M310 HydrophobicContact CG-SD 4.47Å; H305-M310 HydrophobicContact CB-CE 4.48Å; H305-M310 WeakPolarHBondContact CD2-CE 3.32Å; H305-M310 VanDerWaalsContact CE1-CE 3.41Å; H305-M310 WeakPolarHBondContact CE1-CE 3.49Å; H305-M310 WeakPolarHBondContact NE2-CE 3.31Å
311	S	92.6	Very high	96.8	Very high	33 Å²	33	13.6 Å²	13.6	23%	0.231	8%	0.078	C	C	.	.			trans	-69.8	136.7	178.4	-178	0	0	0	0	111	D313 I314	S311-D313 VanDerWaalsContact C-N 3.34Å; S311-D313 WeakPolarHBondContact OG-CB 3.28Å; S311-D313 PolarHBondContact OG-N 3.45Å; S311-D313 VanDerWaalsContact OG-N 3.08Å; S311-I314 WeakPolarHBondContact O-CG2 3.3Å
312	S	94.2	Very high	96.7	Very high	5 Å²	5	13.6 Å²	13.6	4%	0.035	8%	0.078	C	C	.	.	S	Bend	trans	-83.4	-7.9	164.7	46	0	0	0	0	114.4	I314 F337 T338 D339 R396	S312-I314 PolarHBondContact O-N 2.85Å; S312-F337 WeakPolarHBondContact CA-O 3.44Å; S312-T338 WeakPolarHBondContact O-CA 3.03Å; S312-D339 VanDerWaalsContact CB-OD1 3.3Å; S312-D339 WeakPolarHBondContact CB-OD1 3.42Å; S312-D339 VanDerWaalsContact CB-OD2 3.23Å; S312-D339 WeakPolarHBondContact CB-OD2 3.38Å; S312-D339 PolarHBondContact O-N 3.19Å; S312-D339 PolarHBondContact OG-OD1 3.27Å; S312-D339 PolarHBondContact OG-OD2 3.42Å; S312-R396 PolarHBondContact OG-NH2 3.18Å
313	D	95.1	Very high	96.5	Very high	28 Å²	28	20.1 Å²	20.1	15%	0.15	10%	0.103	C	C	.	.			trans	-75.3	57.9	172.4	-163.9	15.7	0	0	0	111.3	R83 K277 S311 Y340	R83-D313 IonicContact CZ-OD2 2.8Å; R83-D313 IonicContact NH1-OD2 3.09Å; R83-D313 PolarHBondContact NH1-OD2 3.46Å; R83-D313 IonicContact NH2-OD2 2.88Å; R83-D313 PolarHBondContact NH2-OD2 3.14Å; K277-D313 IonicContact NZ-OD1 3.71Å; K277-D313 PolarHBondContact NZ-OD1 2.64Å; S311-D313 VanDerWaalsContact C-N 3.34Å; S311-D313 WeakPolarHBondContact OG-CB 3.28Å; S311-D313 PolarHBondContact OG-N 3.45Å; S311-D313 VanDerWaalsContact OG-N 3.08Å; D313-Y340 VanDerWaalsContact OD1-CE2 3.3Å; D313-Y340 WeakPolarHBondContact OD1-CE2 3.4Å; D313-Y340 PolarHBondContact OD1-OH 3.32Å
314	I	97.2	Very high	96.1	Very high	10 Å²	10	26 Å²	26	5%	0.051	13%	0.126	C	C	.	.			trans	-135.9	146	-175.7	64.8	175.9	0	0	0	110.2	P278 V280 S311 S312 I316 F337 T338	P278-I314 HydrophobicContact CB-CG2 4.22Å; P278-I314 CarbonylContact O-C 3.54Å; P278-I314 WeakPolarHBondContact O-CA 3.45Å; V280-I314 HydrophobicContact CG2-CD1 3.92Å; S311-I314 WeakPolarHBondContact O-CG2 3.3Å; S312-I314 PolarHBondContact O-N 2.85Å; I314-I316 HydrophobicContact CD1-CG1 4.44Å; I314-F337 WeakPolarHBondContact CD1-O 3.42Å; I314-T338 PolarHBondContact O-OG1 3.01Å
315	N	98.6	Very high	95.7	Very high	19 Å²	19	28.3 Å²	28.3	10%	0.102	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	141.9	166.1	-75.6	-21.2	0	0	0	109.3	I275 K277 P278 T279 V280 I343	I275-N315 WeakPolarHBondContact CG2-ND2 3.49Å; K277-N315 WeakPolarHBondContact CD-OD1 3.22Å; P278-N315 PolarHBondContact O-N 3.44Å; T279-N315 CarbonylContact C-O 3.33Å; T279-N315 WeakPolarHBondContact CA-O 3.41Å; T279-N315 HydrophobicContact CG2-CB 4.11Å; V280-N315 PolarHBondContact N-O 3.15Å; N315-I343 HydrophobicContact CB-CD1 3.98Å
316	I	98.8	Very high	95.4	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.5	165.6	-57.7	-179.6	0	0	0	107.7	V280 M282 L300 I314 W334 F337 T338 I342 I343	V280-I316 HydrophobicContact CB-CG1 4.38Å; M282-I316 HydrophobicContact CG-CG2 4.14Å; M282-I316 HydrophobicContact SD-CG2 3.77Å; L300-I316 HydrophobicContact CD2-CD1 3.91Å; I314-I316 HydrophobicContact CD1-CG1 4.44Å; I316-W334 HydrophobicContact CD1-CE3 3.88Å; I316-W334 HydrophobicContact CD1-CZ3 4.03Å; I316-W334 HydrophobicContact CG2-CZ3 4.13Å; I316-F337 HydrophobicContact CD1-CB 4.06Å; I316-T338 HydrophobicContact CD1-CG2 3.69Å; I316-T338 HydrophobicContact CG1-CG2 4.12Å; I316-I342 HydrophobicContact CB-CD1 3.73Å; I316-I342 HydrophobicContact CD1-CD1 4.18Å; I316-I342 HydrophobicContact CG1-CD1 4.44Å; I316-I342 HydrophobicContact CG2-CD1 3.96Å; I316-I343 PolarHBondContact O-N 2.96Å
317	V	98.8	Very high	95.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	113.2	178.8	178.5	0	0	0	0	109.3	T279 V280 F281 M282 W319 I343 L345 Y348	T279-V317 HydrophobicContact CG2-CB 4.3Å; T279-V317 HydrophobicContact CG2-CG2 3.54Å; V280-V317 PolarHBondContact O-N 2.71Å; F281-V317 WeakPolarHBondContact CA-O 3.27Å; F281-V317 HydrophobicContact CD1-CB 3.73Å; F281-V317 HydrophobicContact CD1-CG1 3.82Å; F281-V317 HydrophobicContact CE1-CB 3.92Å; F281-V317 HydrophobicContact CE1-CG1 3.89Å; F281-V317 HydrophobicContact CE1-CG2 4.26Å; M282-V317 PolarHBondContact N-O 2.97Å; V317-W319 PolarHBondContact O-N 3.41Å; V317-I343 CarbonylContact C-O 3.56Å; V317-I343 WeakPolarHBondContact CA-O 3.25Å; V317-I343 HydrophobicContact CG2-CB 4.07Å; V317-I343 HydrophobicContact CG2-CD1 4.48Å; V317-I343 HydrophobicContact CG2-CG2 4.15Å; V317-L345 HydrophobicContact CG1-CB 4.45Å; V317-L345 HydrophobicContact CG1-CD1 4.27Å; V317-Y348 HydrophobicContact CG1-CE2 4.33Å; V317-Y348 HydrophobicContact CG2-CE2 4Å
318	M	98.3	Very high	95.1	Very high	8 Å²	8	32.1 Å²	32.1	4%	0.039	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	111.4	171.8	-172.9	-171.4	-56.3	0	0	109.4	L284 D320 Y326 I342 I343 L345	L284-M318 HydrophobicContact CD1-CE 3.65Å; L284-M318 HydrophobicContact CD1-CG 3.95Å; L284-M318 HydrophobicContact CD1-SD 4.03Å; L284-M318 HydrophobicContact CG-CG 4.42Å; M318-D320 VanDerWaalsContact C-N 3.29Å; M318-D320 HydrophobicContact CG-CB 4.47Å; M318-D320 PolarHBondContact O-N 2.78Å; M318-Y326 HydrophobicContact CE-CD1 3.73Å; M318-Y326 HydrophobicContact CE-CD2 4.47Å; M318-Y326 HydrophobicContact CE-CE1 4.37Å; M318-Y326 HydrophobicContact CE-CG 3.78Å; M318-Y326 HydrophobicContact SD-CD1 4.19Å; M318-Y326 HydrophobicContact SD-CD2 3.86Å; M318-Y326 HydrophobicContact SD-CG 3.64Å; M318-I342 HydrophobicContact CB-CG2 4.03Å; M318-I342 HydrophobicContact CE-CG2 3.99Å; M318-I343 PolarHBondContact N-O 3.49Å; M318-L345 WeakPolarHBondContact O-CB 3.19Å; M318-L345 PolarHBondContact O-N 3.38Å
319	W	97.8	Very high	95.1	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	18%	0.178	C	C	.	.			trans	-77.3	77.8	177.5	-167.7	-79.7	0	0	0	110.4	L205 Y217 I222 W251 E254 F281 M282 K283 V317 L345 F360	L205-W319 HydrophobicContact CD1-CH2 4.27Å; L205-W319 HydrophobicContact CD2-CZ3 4.37Å; Y217-W319 WeakPolarHBondContact CD1-O 3.49Å; Y217-W319 WeakPolarHBondContact CE1-O 3.41Å; I222-W319 HydrophobicContact CD1-CH2 4.48Å; I222-W319 HydrophobicContact CD1-CZ2 4.35Å; I222-W319 HydrophobicContact CG1-CH2 4.49Å; I222-W319 HydrophobicContact CG1-CZ2 4.12Å; W251-W319 HydrophobicContact CH2-CB 3.84Å; W251-W319 HydrophobicContact CH2-CG 4.14Å; W251-W319 HydrophobicContact CZ3-CB 3.9Å; W251-W319 AromaticContact CZ3-CD2 3.84Å; W251-W319 HydrophobicContact CZ3-CD2 3.84Å; W251-W319 HydrophobicContact CZ3-CE3 4.23Å; W251-W319 AromaticContact CZ3-CG 3.67Å; W251-W319 HydrophobicContact CZ3-CG 3.67Å; E254-W319 HydrophobicContact CB-CH2 4.45Å; E254-W319 HydrophobicContact CB-CZ2 3.9Å; E254-W319 HydrophobicContact CG-CD2 4.41Å; E254-W319 VanDerWaalsContact CG-CE2 3.44Å; E254-W319 HydrophobicContact CG-CH2 4.36Å; E254-W319 HydrophobicContact CG-CZ2 3.42Å; E254-W319 VanDerWaalsContact CG-CZ2 3.42Å; F281-W319 HydrophobicContact CB-CE3 4.42Å; F281-W319 AromaticContact CD1-CE3 3.84Å; F281-W319 HydrophobicContact CD1-CE3 3.84Å; F281-W319 HydrophobicContact CD1-CZ3 4.19Å; F281-W319 HydrophobicContact CE1-CE3 4.44Å; F281-W319 HydrophobicContact CE1-CZ3 4.41Å; F281-W319 HydrophobicContact CG-CE3 4.26Å; M282-W319 WeakPolarHBondContact O-CB 3.31Å; M282-W319 PolarHBondContact O-N 2.79Å; K283-W319 HydrophobicContact CG-CB 4.1Å; K283-W319 HydrophobicContact CG-CG 4.43Å; V317-W319 PolarHBondContact O-N 3.41Å; W319-L345 HydrophobicContact CD2-CD2 3.85Å; W319-L345 HydrophobicContact CE3-CD1 4.18Å; W319-L345 HydrophobicContact CE3-CD2 4.1Å; W319-L345 HydrophobicContact CG-CD2 4.21Å; W319-L345 HydrophobicContact CZ2-CD2 4.33Å; W319-L345 HydrophobicContact CZ3-CD1 4.25Å; W319-L345 HydrophobicContact CZ3-CD2 4.46Å; W319-F360 HydrophobicContact CE3-CE1 4.47Å; W319-F360 HydrophobicContact CZ3-CE1 4.17Å
320	D	96.4	Very high	95.2	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.016	17%	0.167	C	C	.	.			trans	-108.6	117.4	174.4	-177.3	-0.4	0	0	0	109.2	R212 R216 M318 S322	R212-D320 PolarHBondContact NH1-O 3.37Å; R216-D320 IonicContact CZ-OD2 2.98Å; R216-D320 IonicContact NH1-OD1 2.75Å; R216-D320 IonicContact NH1-OD2 3.4Å; R216-D320 PolarHBondContact NH1-OD2 2.98Å; M318-D320 VanDerWaalsContact C-N 3.29Å; M318-D320 HydrophobicContact CG-CB 4.47Å; M318-D320 PolarHBondContact O-N 2.78Å; D320-S322 VanDerWaalsContact C-N 3.35Å; D320-S322 VanDerWaalsContact OD1-CB 3.3Å; D320-S322 WeakPolarHBondContact OD1-CB 3.41Å; D320-S322 PolarHBondContact OD1-N 3.02Å; D320-S322 PolarHBondContact OD1-OG 3.09Å; D320-S322 PolarHBondContact OD2-OG 3.14Å
321	T	96.6	Very high	95.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.179	C	C	.	.			trans	-85	-9.5	178.2	57.8	0	0	0	0	112.8	R212 E215 R216 Y217 D218 F221	R212-T321 WeakPolarHBondContact CA-O 3.09Å; R212-T321 WeakPolarHBondContact CG-O 3.37Å; R212-T321 PolarHBondContact NH1-O 3.12Å; E215-T321 CarbonylContact O-C 3.51Å; E215-T321 PolarHBondContact O-OG1 3.25Å; R216-T321 PolarHBondContact O-N 2.75Å; R216-T321 PolarHBondContact O-OG1 3.16Å; Y217-T321 PolarHBondContact N-OG1 3.41Å; D218-T321 HydrophobicContact CB-CG2 4.44Å; D218-T321 WeakPolarHBondContact CB-OG1 3.48Å; D218-T321 PolarHBondContact N-OG1 3.45Å; F221-T321 HydrophobicContact CB-CG2 3.74Å; F221-T321 HydrophobicContact CD1-CG2 3.69Å; F221-T321 HydrophobicContact CD2-CG2 3.79Å; F221-T321 HydrophobicContact CE1-CG2 4.23Å; F221-T321 HydrophobicContact CE2-CG2 4.3Å; F221-T321 HydrophobicContact CG-CG2 3.45Å; F221-T321 VanDerWaalsContact CG-CG2 3.45Å
322	S	95.8	Very high	95.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-82.3	173.5	-177.5	76.1	0	0	0	0	113.2	R212 S213 E215 D320 Y324	R212-S322 PolarHBondContact NH1-O 2.94Å; S213-S322 VanDerWaalsContact O-CA 3.25Å; S213-S322 WeakPolarHBondContact O-CA 3.36Å; E215-S322 WeakPolarHBondContact O-CB 3.18Å; E215-S322 PolarHBondContact O-N 3.42Å; D320-S322 VanDerWaalsContact C-N 3.35Å; D320-S322 VanDerWaalsContact OD1-CB 3.3Å; D320-S322 WeakPolarHBondContact OD1-CB 3.41Å; D320-S322 PolarHBondContact OD1-N 3.02Å; D320-S322 PolarHBondContact OD1-OG 3.09Å; D320-S322 PolarHBondContact OD2-OG 3.14Å; S322-Y324 PolarHBondContact OG-N 3.08Å
323	Y	93.7	Very high	95.8	Very high	137 Å²	137	31.5 Å²	31.5	54%	0.537	17%	0.173	S	C	.	.	S	Bend	trans	-78.4	-21.4	167.2	-64	-74.8	0	0	0	113.6	R212 S213 K346	R212-Y323 VanDerWaalsContact C-CE2 3.43Å; R212-Y323 HydrophobicContact CB-CD1 3.97Å; R212-Y323 HydrophobicContact CB-CD2 4.28Å; R212-Y323 HydrophobicContact CB-CE1 3.45Å; R212-Y323 VanDerWaalsContact CB-CE1 3.45Å; R212-Y323 HydrophobicContact CB-CE2 3.77Å; R212-Y323 HydrophobicContact CB-CG 4.35Å; R212-Y323 WeakPolarHBondContact CB-OH 3.39Å; R212-Y323 HydrophobicContact CG-CE1 4.36Å; R212-Y323 WeakPolarHBondContact O-CE2 3.27Å; R212-Y323 VanDerWaalsContact O-CZ 3.26Å; R212-Y323 PolarHBondContact O-OH 2.92Å; S213-Y323 WeakPolarHBondContact O-CD2 3.4Å; S213-Y323 PolarHBondContact O-N 2.88Å; Y323-K346 PolarHBondContact O-NZ 3.29Å; Y323-K346 VanDerWaalsContact O-NZ 3.07Å
324	Y	91.1	Very high	95.9	Very high	123 Å²	123	30.9 Å²	30.9	48%	0.482	17%	0.168	S	C	.	.	S	Bend	trans	-68.6	164.4	-164.5	-66.9	-60.2	0	0	0	113.9	H214 S322 K346	H214-Y324 HydrophobicContact CB-CE2 3.96Å; H214-Y324 AromaticContact CD2-CE2 3.89Å; H214-Y324 AromaticContact CD2-CZ 3.6Å; H214-Y324 PolarHBondContact CD2-OH 2.03Å; H214-Y324 VanDerWaalsContact CD2-OH 3.26Å; S322-Y324 PolarHBondContact OG-N 3.08Å; Y324-K346 PolarHBondContact O-NZ 3.27Å
325	G	89.6	Confident	95.9	Very high	52 Å²	52	36 Å²	36	54%	0.536	19%	0.192	S	C	.	.			trans	-71.7	168.8	159.9	0	0	0	0	0	111.4	R216	R216-G325 PolarHBondContact NH2-O 3.13Å; R216-G325 VanDerWaalsContact NH2-O 3.12Å
326	Y	92.4	Very high	95.9	Very high	36 Å²	36	35.1 Å²	35.1	14%	0.141	19%	0.187	C	C	.	.			trans	-111.9	127.3	165.7	-166.8	-98.6	0	0	0	108.5	L284 G287 M318 D328	L284-Y326 HydrophobicContact CB-CE2 4.08Å; L284-Y326 WeakPolarHBondContact CB-OH 3.31Å; L284-Y326 HydrophobicContact CD1-CD1 4.36Å; L284-Y326 HydrophobicContact CD1-CE1 3.74Å; L284-Y326 HydrophobicContact CD1-CE2 4.15Å; G287-Y326 WeakPolarHBondContact CA-OH 2.99Å; G287-Y326 PolarHBondContact N-OH 2.85Å; M318-Y326 HydrophobicContact CE-CD1 3.73Å; M318-Y326 HydrophobicContact CE-CD2 4.47Å; M318-Y326 HydrophobicContact CE-CE1 4.37Å; M318-Y326 HydrophobicContact CE-CG 3.78Å; M318-Y326 HydrophobicContact SD-CD1 4.19Å; M318-Y326 HydrophobicContact SD-CD2 3.86Å; M318-Y326 HydrophobicContact SD-CG 3.64Å; Y326-D328 HydrophobicContact CD1-CB 4.03Å; Y326-D328 HydrophobicContact CE1-CB 4.14Å
327	G	92.9	Very high	95.9	Very high	44 Å²	44	35 Å²	35	45%	0.454	19%	0.187	S	C	.	.			trans	-91.1	116.2	172.5	0	0	0	0	0	109.3	G287	G287-G327 CarbonylContact C-O 3.59Å; G287-G327 WeakPolarHBondContact CA-O 3.46Å
328	D	95	Very high	95.8	Very high	33 Å²	33	35.3 Å²	35.3	18%	0.176	19%	0.188	C	C	.	.			trans	-121.1	118.2	178.8	-173.1	-6.1	0	0	0	109.1	H293 Y326 F330 S331 W334	H293-D328 IonicContact CD2-OD1 2.73Å; H293-D328 PolarHBondContact CD2-OD1 3.37Å; H293-D328 IonicContact NE2-OD1 3.09Å; H293-D328 PolarHBondContact NE2-OD1 2.97Å; H293-D328 IonicContact NE2-OD2 2.73Å; H293-D328 PolarHBondContact NE2-OD2 3.43Å; Y326-D328 HydrophobicContact CD1-CB 4.03Å; Y326-D328 HydrophobicContact CE1-CB 4.14Å; D328-F330 WeakPolarHBondContact OD1-CA 3.49Å; D328-F330 PolarHBondContact OD1-N 3.05Å; D328-S331 PolarHBondContact OD1-N 2.92Å; D328-S331 VanDerWaalsContact OD1-N 3.16Å; D328-S331 WeakPolarHBondContact OD2-CA 3.4Å; D328-W334 PolarHBondContact OD2-NE1 2.89Å
329	L	95.1	Very high	95.7	Very high	65 Å²	65	39.5 Å²	39.5	34%	0.34	21%	0.211	S	C	.	.	S	Bend	trans	-96.2	5.8	177.3	-61.9	-179.6	0	0	0	112.7	G287 V288 Y448	G287-L329 PolarHBondContact O-N 3.23Å; V288-L329 HydrophobicContact CB-CD1 4.24Å; L329-Y448 HydrophobicContact CB-CD2 4.36Å; L329-Y448 HydrophobicContact CD2-CD1 4.26Å; L329-Y448 HydrophobicContact CD2-CG 4.28Å; L329-Y448 WeakPolarHBondContact O-CD2 3.33Å; L329-Y448 WeakPolarHBondContact O-CE2 3.42Å
330	F	96.2	Very high	95.7	Very high	18 Å²	18	44 Å²	44	8%	0.079	23%	0.229	C	C	.	.			trans	-134.9	22.5	-175.8	-46.8	-77.9	0	0	0	111.3	G287 M290 H293 F294 F297 D328 E332 T333 F453	G287-F330 WeakPolarHBondContact O-CD2 3.42Å; G287-F330 WeakPolarHBondContact O-CE2 2.98Å; M290-F330 HydrophobicContact CB-CE1 3.79Å; M290-F330 HydrophobicContact CB-CE2 4.14Å; M290-F330 HydrophobicContact CB-CZ 3.51Å; M290-F330 HydrophobicContact CG-CD1 4.34Å; M290-F330 HydrophobicContact CG-CE1 3.87Å; M290-F330 HydrophobicContact CG-CZ 4.08Å; H293-F330 HydrophobicContact CB-CD2 4.14Å; F294-F330 HydrophobicContact CE2-CB 4.08Å; F294-F330 HydrophobicContact CE2-CD1 4.04Å; F294-F330 HydrophobicContact CE2-CG 4.01Å; F297-F330 HydrophobicContact CE2-CB 4.41Å; D328-F330 WeakPolarHBondContact OD1-CA 3.49Å; D328-F330 PolarHBondContact OD1-N 3.05Å; F330-E332 PolarHBondContact O-N 2.86Å; F330-E332 VanDerWaalsContact O-N 3.08Å; F330-T333 WeakPolarHBondContact O-CB 3.22Å; F330-T333 PolarHBondContact O-N 3.46Å; F330-T333 PolarHBondContact O-OG1 2.89Å; F330-F453 HydrophobicContact CB-CD1 4.49Å; F330-F453 HydrophobicContact CB-CE1 4.42Å; F330-F453 HydrophobicContact CD1-CD1 4.43Å; F330-F453 AromaticContact CD1-CD2 3.66Å; F330-F453 HydrophobicContact CD1-CD2 3.66Å; F330-F453 HydrophobicContact CD1-CE1 4.38Å; F330-F453 AromaticContact CD1-CE2 3.6Å; F330-F453 HydrophobicContact CD1-CE2 3.6Å; F330-F453 HydrophobicContact CD1-CG 4.1Å; F330-F453 AromaticContact CD1-CZ 3.98Å; F330-F453 HydrophobicContact CD1-CZ 3.98Å; F330-F453 HydrophobicContact CE1-CD2 4.13Å; F330-F453 HydrophobicContact CE1-CE2 4.08Å
331	S	96.1	Very high	95.7	Very high	53 Å²	53	51 Å²	51	37%	0.371	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-55.5	-28.3	-172.1	65.1	0	0	0	0	114.4	D328 T333 W334	D328-S331 PolarHBondContact OD1-N 2.92Å; D328-S331 VanDerWaalsContact OD1-N 3.16Å; D328-S331 WeakPolarHBondContact OD2-CA 3.4Å; S331-T333 PolarHBondContact O-N 3.1Å; S331-W334 WeakPolarHBondContact O-CB 2.91Å; S331-W334 PolarHBondContact O-N 3.01Å; S331-W334 VanDerWaalsContact O-N 3.12Å
332	E	97.1	Very high	95.8	Very high	29 Å²	29	52.6 Å²	52.6	14%	0.136	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-59.9	-26.5	175.6	-57.5	94.7	126.4	0	0	111.6	F330 W334 Q335 L397 Y448 L454	F330-E332 PolarHBondContact O-N 2.86Å; F330-E332 VanDerWaalsContact O-N 3.08Å; E332-W334 PolarHBondContact O-N 3.27Å; E332-Q335 WeakPolarHBondContact O-CB 3.29Å; E332-Q335 WeakPolarHBondContact O-CG 3.33Å; E332-Q335 PolarHBondContact O-N 3.27Å; E332-L397 VanDerWaalsContact O-CD2 3.25Å; E332-L397 WeakPolarHBondContact O-CD2 3.25Å; E332-Y448 PolarHBondContact OE1-OH 3.19Å; E332-L454 HydrophobicContact CB-CD1 4.48Å; E332-L454 HydrophobicContact CB-CD2 3.92Å; E332-L454 HydrophobicContact CB-CG 4.1Å; E332-L454 HydrophobicContact CG-CG 4.38Å
333	T	98.4	Very high	95.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-63.7	-26.5	177.4	-43.3	0	0	0	0	112.8	F294 F297 F330 S331 Q335 A336 F337 V393 F453	F294-T333 HydrophobicContact CE1-CG2 3.92Å; F294-T333 HydrophobicContact CZ-CG2 3.96Å; F297-T333 HydrophobicContact CD1-CG2 3.9Å; F297-T333 HydrophobicContact CD2-CG2 3.75Å; F297-T333 HydrophobicContact CE1-CG2 3.94Å; F297-T333 HydrophobicContact CE2-CG2 3.8Å; F297-T333 HydrophobicContact CG-CG2 3.83Å; F297-T333 HydrophobicContact CZ-CG2 3.92Å; F330-T333 WeakPolarHBondContact O-CB 3.22Å; F330-T333 PolarHBondContact O-N 3.46Å; F330-T333 PolarHBondContact O-OG1 2.89Å; S331-T333 PolarHBondContact O-N 3.1Å; T333-Q335 PolarHBondContact O-N 3.28Å; T333-A336 WeakPolarHBondContact O-CB 2.99Å; T333-A336 PolarHBondContact O-N 3.48Å; T333-F337 HydrophobicContact CG2-CE2 4.37Å; T333-V393 HydrophobicContact CG2-CG1 4.29Å; T333-F453 VanDerWaalsContact OG1-CE1 3.32Å; T333-F453 WeakPolarHBondContact OG1-CE1 3.47Å
334	W	98.3	Very high	96.1	Very high	15 Å²	15	50 Å²	50	6%	0.057	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-60.4	-27.6	178	-67.1	114.6	0	0	0	112.9	M282 L284 H293 F297 L300 I316 D328 S331 E332 A336 F337 T338 I342	M282-W334 HydrophobicContact CE-CH2 4.14Å; M282-W334 HydrophobicContact CE-CZ3 4.33Å; M282-W334 HydrophobicContact SD-CH2 3.92Å; M282-W334 HydrophobicContact SD-CZ3 3.75Å; L284-W334 HydrophobicContact CD1-CH2 4.48Å; L284-W334 HydrophobicContact CD1-CZ2 4.12Å; L284-W334 HydrophobicContact CD2-CH2 3.93Å; L284-W334 HydrophobicContact CD2-CZ2 4.3Å; H293-W334 AromaticContact CE1-CZ2 3.81Å; H293-W334 AromaticContact NE2-CZ2 3.91Å; F297-W334 HydrophobicContact CD1-CE3 4.37Å; F297-W334 HydrophobicContact CD1-CH2 4.4Å; F297-W334 HydrophobicContact CD1-CZ3 4.25Å; F297-W334 AromaticContact CE1-CD2 3.59Å; F297-W334 HydrophobicContact CE1-CD2 3.59Å; F297-W334 AromaticContact CE1-CE2 3.61Å; F297-W334 AromaticContact CE1-CE3 3.67Å; F297-W334 HydrophobicContact CE1-CE3 3.67Å; F297-W334 HydrophobicContact CE1-CG 4.25Å; F297-W334 AromaticContact CE1-CH2 3.81Å; F297-W334 HydrophobicContact CE1-CH2 3.81Å; F297-W334 AromaticContact CE1-CZ2 3.73Å; F297-W334 HydrophobicContact CE1-CZ2 3.73Å; F297-W334 AromaticContact CE1-CZ3 3.79Å; F297-W334 HydrophobicContact CE1-CZ3 3.79Å; F297-W334 HydrophobicContact CZ-CD2 4.19Å; F297-W334 AromaticContact CZ-CE2 3.84Å; F297-W334 HydrophobicContact CZ-CH2 4.48Å; F297-W334 AromaticContact CZ-CZ2 4Å; F297-W334 HydrophobicContact CZ-CZ2 4Å; L300-W334 HydrophobicContact CD2-CZ3 4Å; I316-W334 HydrophobicContact CD1-CE3 3.88Å; I316-W334 HydrophobicContact CD1-CZ3 4.03Å; I316-W334 HydrophobicContact CG2-CZ3 4.13Å; D328-W334 PolarHBondContact OD2-NE1 2.89Å; S331-W334 WeakPolarHBondContact O-CB 2.91Å; S331-W334 PolarHBondContact O-N 3.01Å; S331-W334 VanDerWaalsContact O-N 3.12Å; E332-W334 PolarHBondContact O-N 3.27Å; W334-A336 PolarHBondContact O-N 2.6Å; W334-A336 VanDerWaalsContact O-N 3.14Å; W334-F337 PolarHBondContact O-N 3.06Å; W334-T338 PolarHBondContact O-N 3.01Å; W334-I342 HydrophobicContact CB-CD1 4Å; W334-I342 HydrophobicContact CB-CG1 4.21Å; W334-I342 HydrophobicContact CD2-CD1 3.41Å; W334-I342 VanDerWaalsContact CD2-CD1 3.41Å; W334-I342 HydrophobicContact CD2-CG1 3.65Å; W334-I342 HydrophobicContact CE3-CD1 3.47Å; W334-I342 VanDerWaalsContact CE3-CD1 3.47Å; W334-I342 HydrophobicContact CE3-CG1 4.21Å; W334-I342 HydrophobicContact CG-CD1 3.63Å; W334-I342 HydrophobicContact CG-CG1 3.6Å; W334-I342 HydrophobicContact CZ3-CD1 4.16Å
335	Q	97.6	Very high	96.4	Very high	117 Å²	117	44.2 Å²	44.2	55%	0.547	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-63.4	-17.7	176.2	-58.3	176	11.9	0	0	112.8	E332 T333 F337 L397	E332-Q335 WeakPolarHBondContact O-CB 3.29Å; E332-Q335 WeakPolarHBondContact O-CG 3.33Å; E332-Q335 PolarHBondContact O-N 3.27Å; T333-Q335 PolarHBondContact O-N 3.28Å; Q335-F337 VanDerWaalsContact C-N 3.25Å; Q335-F337 PolarHBondContact O-N 2.9Å; Q335-L397 HydrophobicContact CB-CD2 3.81Å
336	A	97.9	Very high	96.7	Very high	1 Å²	1	45 Å²	45	1%	0.008	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-72.9	-18.1	171	0	0	0	0	0	113.5	T333 W334 H392 V393 R396 L397	T333-A336 WeakPolarHBondContact O-CB 2.99Å; T333-A336 PolarHBondContact O-N 3.48Å; W334-A336 PolarHBondContact O-N 2.6Å; W334-A336 VanDerWaalsContact O-N 3.14Å; A336-H392 PolarHBondContact O-NE2 3.16Å; A336-V393 HydrophobicContact CB-CB 4.49Å; A336-V393 HydrophobicContact CB-CG2 4.25Å; A336-R396 HydrophobicContact CB-CB 3.94Å; A336-L397 HydrophobicContact CB-CD2 4.35Å; A336-L397 HydrophobicContact CB-CG 4.36Å
337	F	98.1	Very high	96.9	Very high	1 Å²	1	47.9 Å²	47.9	0%	0.004	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-29.1	-168.5	-63.3	-76.1	0	0	0	114.4	F297 L300 Y301 S312 I314 I316 T333 W334 Q335 F389 V393	F297-F337 HydrophobicContact CB-CE2 4.12Å; F297-F337 HydrophobicContact CB-CZ 4.36Å; F297-F337 HydrophobicContact CD1-CD2 4.06Å; F297-F337 AromaticContact CD1-CE2 3.74Å; F297-F337 HydrophobicContact CD1-CE2 3.74Å; F297-F337 HydrophobicContact CG-CE2 4.27Å; L300-F337 HydrophobicContact CD2-CB 3.72Å; L300-F337 HydrophobicContact CD2-CD1 3.59Å; L300-F337 HydrophobicContact CD2-CD2 4Å; L300-F337 HydrophobicContact CD2-CE1 4.23Å; L300-F337 HydrophobicContact CD2-CG 3.47Å; L300-F337 VanDerWaalsContact CD2-CG 3.47Å; L300-F337 HydrophobicContact CG-CD1 3.84Å; L300-F337 HydrophobicContact CG-CE1 4.22Å; L300-F337 HydrophobicContact CG-CG 4.25Å; Y301-F337 HydrophobicContact CD2-CE1 4.35Å; S312-F337 WeakPolarHBondContact CA-O 3.44Å; I314-F337 WeakPolarHBondContact CD1-O 3.42Å; I316-F337 HydrophobicContact CD1-CB 4.06Å; T333-F337 HydrophobicContact CG2-CE2 4.37Å; W334-F337 PolarHBondContact O-N 3.06Å; Q335-F337 VanDerWaalsContact C-N 3.25Å; Q335-F337 PolarHBondContact O-N 2.9Å; F337-F389 AromaticContact CZ-CE2 3.99Å; F337-F389 HydrophobicContact CZ-CE2 3.99Å; F337-V393 HydrophobicContact CE2-CG2 4.31Å; F337-V393 HydrophobicContact CZ-CG2 4.16Å
338	T	97.5	Very high	97.2	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.031	24%	0.236	C	C	.	.			trans	-145.1	149.7	-179.5	178.1	0	0	0	0	111.6	S312 I314 I316 W334 Y340 I342	S312-T338 WeakPolarHBondContact O-CA 3.03Å; I314-T338 PolarHBondContact O-OG1 3.01Å; I316-T338 HydrophobicContact CD1-CG2 3.69Å; I316-T338 HydrophobicContact CG1-CG2 4.12Å; W334-T338 PolarHBondContact O-N 3.01Å; T338-Y340 VanDerWaalsContact C-N 3.27Å; T338-Y340 WeakPolarHBondContact CG2-O 3.38Å; T338-Y340 PolarHBondContact OG1-N 2.98Å; T338-Y340 VanDerWaalsContact OG1-N 3.11Å; T338-I342 HydrophobicContact CG2-CD1 4.12Å
339	D	95.6	Very high	97.3	Very high	96 Å²	96	47 Å²	47	51%	0.513	24%	0.239	S	C	.	.	S	Bend	trans	-88.1	7.9	172.6	-55.5	-45.8	0	0	0	112	S312	S312-D339 VanDerWaalsContact CB-OD1 3.3Å; S312-D339 WeakPolarHBondContact CB-OD1 3.42Å; S312-D339 VanDerWaalsContact CB-OD2 3.23Å; S312-D339 WeakPolarHBondContact CB-OD2 3.38Å; S312-D339 PolarHBondContact O-N 3.19Å; S312-D339 PolarHBondContact OG-OD1 3.27Å; S312-D339 PolarHBondContact OG-OD2 3.42Å
340	Y	97.3	Very high	97.4	Very high	96 Å²	96	48 Å²	48	38%	0.376	25%	0.252	S	S	.	.	S	Bend	trans	-129.9	157.1	-173.2	-54.1	-84.1	0	0	0	112.5	K277 D313 T338	K277-Y340 HydrophobicContact CD-CD2 4.15Å; K277-Y340 HydrophobicContact CD-CE2 3.71Å; K277-Y340 VanDerWaalsContact CE-CE2 3.46Å; K277-Y340 VanDerWaalsContact CE-CZ 3.42Å; K277-Y340 PolarHBondContact NZ-OH 2.86Å; D313-Y340 VanDerWaalsContact OD1-CE2 3.3Å; D313-Y340 WeakPolarHBondContact OD1-CE2 3.4Å; D313-Y340 PolarHBondContact OD1-OH 3.32Å; T338-Y340 VanDerWaalsContact C-N 3.27Å; T338-Y340 WeakPolarHBondContact CG2-O 3.38Å; T338-Y340 PolarHBondContact OG1-N 2.98Å; T338-Y340 VanDerWaalsContact OG1-N 3.11Å
341	D	97.3	Very high	97.5	Very high	149 Å²	149	51.4 Å²	51.4	80%	0.797	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-62.7	150.1	173.8	-64.6	-39.4	0	0	0	112.4	I343	D341-I343 PolarHBondContact O-N 2.02Å
342	I	97.9	Very high	97.6	Very high	34 Å²	34	51.7 Å²	51.7	17%	0.174	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-70.6	120.8	177.3	-55.3	-57.1	0	0	0	110.3	I316 M318 W334 T338	I316-I342 HydrophobicContact CB-CD1 3.73Å; I316-I342 HydrophobicContact CD1-CD1 4.18Å; I316-I342 HydrophobicContact CG1-CD1 4.44Å; I316-I342 HydrophobicContact CG2-CD1 3.96Å; M318-I342 HydrophobicContact CB-CG2 4.03Å; M318-I342 HydrophobicContact CE-CG2 3.99Å; W334-I342 HydrophobicContact CB-CD1 4Å; W334-I342 HydrophobicContact CB-CG1 4.21Å; W334-I342 HydrophobicContact CD2-CD1 3.41Å; W334-I342 VanDerWaalsContact CD2-CD1 3.41Å; W334-I342 HydrophobicContact CD2-CG1 3.65Å; W334-I342 HydrophobicContact CE3-CD1 3.47Å; W334-I342 VanDerWaalsContact CE3-CD1 3.47Å; W334-I342 HydrophobicContact CE3-CG1 4.21Å; W334-I342 HydrophobicContact CG-CD1 3.63Å; W334-I342 HydrophobicContact CG-CG1 3.6Å; W334-I342 HydrophobicContact CZ3-CD1 4.16Å; T338-I342 HydrophobicContact CG2-CD1 4.12Å
343	I	98.3	Very high	97.7	Very high	33 Å²	33	50.3 Å²	50.3	17%	0.169	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	123.1	-178.8	-62.5	160.3	0	0	0	108.3	N315 I316 V317 M318 D341 T347 Y348	N315-I343 HydrophobicContact CB-CD1 3.98Å; I316-I343 PolarHBondContact O-N 2.96Å; V317-I343 CarbonylContact C-O 3.56Å; V317-I343 WeakPolarHBondContact CA-O 3.25Å; V317-I343 HydrophobicContact CG2-CB 4.07Å; V317-I343 HydrophobicContact CG2-CD1 4.48Å; V317-I343 HydrophobicContact CG2-CG2 4.15Å; M318-I343 PolarHBondContact N-O 3.49Å; D341-I343 PolarHBondContact O-N 2.02Å; I343-T347 HydrophobicContact CG2-CG2 4.43Å; I343-Y348 HydrophobicContact CG2-CE2 3.77Å
344	H	97.6	Very high	97.7	Very high	51 Å²	51	50.3 Å²	50.3	24%	0.236	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	142.3	168.9	-67.4	-89.4	0	0	0	110.2	K346 T347	H344-K346 HydrophobicContact CB-CG 3.95Å; H344-K346 PolarHBondContact O-N 3.07Å; H344-T347 VanDerWaalsContact O-CB 3.25Å; H344-T347 WeakPolarHBondContact O-CB 3.19Å; H344-T347 PolarHBondContact O-N 2.65Å; H344-T347 PolarHBondContact O-OG1 3.04Å
345	L	97.7	Very high	97.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-51.9	-32.5	175.9	-173.4	63.7	0	0	0	112.9	L205 L207 F221 V317 M318 W319 T347 Y348	L205-L345 HydrophobicContact CD2-CD1 4.14Å; L207-L345 HydrophobicContact CD1-CD1 3.89Å; L207-L345 HydrophobicContact CD1-CG 4.25Å; F221-L345 HydrophobicContact CE1-CD2 4Å; V317-L345 HydrophobicContact CG1-CB 4.45Å; V317-L345 HydrophobicContact CG1-CD1 4.27Å; M318-L345 WeakPolarHBondContact O-CB 3.19Å; M318-L345 PolarHBondContact O-N 3.38Å; W319-L345 HydrophobicContact CD2-CD2 3.85Å; W319-L345 HydrophobicContact CE3-CD1 4.18Å; W319-L345 HydrophobicContact CE3-CD2 4.1Å; W319-L345 HydrophobicContact CG-CD2 4.21Å; W319-L345 HydrophobicContact CZ2-CD2 4.33Å; W319-L345 HydrophobicContact CZ3-CD1 4.25Å; W319-L345 HydrophobicContact CZ3-CD2 4.46Å; L345-T347 PolarHBondContact O-N 3.31Å; L345-Y348 PolarHBondContact O-N 3.13Å; L345-Y348 VanDerWaalsContact O-N 3.11Å
346	K	96.9	Very high	97.7	Very high	70 Å²	70	46.2 Å²	46.2	30%	0.304	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-66.1	-15.8	177.4	72.4	-167.6	-179.6	-175.4	0	115.7	R212 Y323 Y324 H344 Y348 D349	R212-K346 VanDerWaalsContact CZ-CB 3.4Å; Y323-K346 PolarHBondContact O-NZ 3.29Å; Y323-K346 VanDerWaalsContact O-NZ 3.07Å; Y324-K346 PolarHBondContact O-NZ 3.27Å; H344-K346 HydrophobicContact CB-CG 3.95Å; H344-K346 PolarHBondContact O-N 3.07Å; K346-Y348 PolarHBondContact O-N 2.99Å; K346-D349 WeakPolarHBondContact O-CB 3.35Å; K346-D349 PolarHBondContact O-N 2.87Å
347	T	97.2	Very high	97.7	Very high	96 Å²	96	47.9 Å²	47.9	59%	0.589	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-62.1	-21.4	170.2	-59.1	0	0	0	0	111.9	I343 H344 L345	I343-T347 HydrophobicContact CG2-CG2 4.43Å; H344-T347 VanDerWaalsContact O-CB 3.25Å; H344-T347 WeakPolarHBondContact O-CB 3.19Å; H344-T347 PolarHBondContact O-N 2.65Å; H344-T347 PolarHBondContact O-OG1 3.04Å; L345-T347 PolarHBondContact O-N 3.31Å
348	Y	97.8	Very high	97.8	Very high	13 Å²	13	47.9 Å²	47.9	5%	0.051	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-100.4	6.1	179.3	-59.6	-53.1	0	0	0	114.2	L207 I273 I275 V317 I343 L345 K346 K351 V353 F355	L207-Y348 WeakPolarHBondContact CB-O 3.07Å; I273-Y348 HydrophobicContact CD1-CD1 4.48Å; I275-Y348 HydrophobicContact CD1-CE1 4.26Å; V317-Y348 HydrophobicContact CG1-CE2 4.33Å; V317-Y348 HydrophobicContact CG2-CE2 4Å; I343-Y348 HydrophobicContact CG2-CE2 3.77Å; L345-Y348 PolarHBondContact O-N 3.13Å; L345-Y348 VanDerWaalsContact O-N 3.11Å; K346-Y348 PolarHBondContact O-N 2.99Å; Y348-K351 WeakPolarHBondContact O-CB 3.21Å; Y348-K351 PolarHBondContact O-N 2.89Å; Y348-V353 HydrophobicContact CD1-CG1 4.27Å; Y348-V353 HydrophobicContact CD1-CG2 3.78Å; Y348-V353 HydrophobicContact CE1-CG1 4.3Å; Y348-V353 HydrophobicContact CG-CG2 3.92Å; Y348-F355 HydrophobicContact CD2-CZ 4.3Å; Y348-F355 HydrophobicContact CE2-CE1 4.23Å; Y348-F355 AromaticContact CE2-CZ 3.88Å; Y348-F355 HydrophobicContact CE2-CZ 3.88Å
349	D	97.4	Very high	97.8	Very high	45 Å²	45	48 Å²	48	24%	0.241	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	148.6	176.8	-72.2	-5.3	0	0	0	111.5	P210 R212 K346 K351	P210-D349 HydrophobicContact CG-CB 4.16Å; R212-D349 IonicContact CZ-OD1 3.12Å; R212-D349 IonicContact CZ-OD2 2.71Å; R212-D349 IonicContact NE-OD1 3.63Å; R212-D349 PolarHBondContact NE-OD1 2.74Å; R212-D349 IonicContact NE-OD2 3.46Å; R212-D349 PolarHBondContact NE-OD2 3.48Å; R212-D349 IonicContact NH2-OD1 2.87Å; R212-D349 PolarHBondContact NH2-OD1 3.12Å; R212-D349 IonicContact NH2-OD2 3.7Å; K346-D349 WeakPolarHBondContact O-CB 3.35Å; K346-D349 PolarHBondContact O-N 2.87Å; D349-K351 PolarHBondContact O-N 3.17Å
350	S	97.8	Very high	98	Very high	86 Å²	86	43.5 Å²	43.5	60%	0.601	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.7	17.3	-173.6	-51.4	0	0	0	0	115	L207	L207-S350 WeakPolarHBondContact O-CA 3.27Å; L207-S350 PolarHBondContact O-N 3.24Å
351	K	98.3	Very high	98	Very high	90 Å²	90	38.9 Å²	38.9	39%	0.391	20%	0.2	S	C	.	.	S	Bend	trans	-131.5	154.1	-178.4	-55	-66.5	174.1	-174.1	0	113.3	L207 R208 D272 I273 Y348 D349 V353	L207-K351 CarbonylContact C-O 3.6Å; L207-K351 WeakPolarHBondContact CA-O 3.49Å; L207-K351 PolarHBondContact N-O 2.63Å; R208-K351 PolarHBondContact N-O 2.8Å; D272-K351 HydrophobicContact CB-CB 4.47Å; D272-K351 HydrophobicContact CB-CD 4.1Å; I273-K351 HydrophobicContact CD1-CB 4.31Å; I273-K351 HydrophobicContact CD1-CD 4.3Å; I273-K351 HydrophobicContact CD1-CG 3.92Å; Y348-K351 WeakPolarHBondContact O-CB 3.21Å; Y348-K351 PolarHBondContact O-N 2.89Å; D349-K351 PolarHBondContact O-N 3.17Å; K351-V353 HydrophobicContact CB-CG2 3.96Å
352	R	98.3	Very high	98.1	Very high	59 Å²	59	31.9 Å²	31.9	22%	0.223	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	125.6	157.5	-61.4	163.6	-68.3	165.6	0.1	108.5	Y204 L205 D206 R208 H270 D272 I273	Y204-R352 HydrophobicContact CE2-CB 4.05Å; Y204-R352 HydrophobicContact CE2-CG 4.27Å; Y204-R352 VanDerWaalsContact OH-CD 3.27Å; Y204-R352 WeakPolarHBondContact OH-CD 3.4Å; Y204-R352 WeakPolarHBondContact OH-CG 3.5Å; L205-R352 CarbonylContact O-C 3.54Å; L205-R352 WeakPolarHBondContact O-CA 3.18Å; D206-R352 HydrophobicContact CB-CG 4.36Å; R208-R352 HydrophobicContact CG-CG 4.05Å; H270-R352 WeakPolarHBondContact O-CD 3.39Å; H270-R352 PolarHBondContact O-NE 2.82Å; H270-R352 PolarHBondContact O-NH1 3.25Å; D272-R352 PolarHBondContact N-O 3.42Å; D272-R352 IonicContact OD1-CZ 3.29Å; D272-R352 IonicContact OD1-NE 3.8Å; D272-R352 IonicContact OD1-NH2 3.7Å; D272-R352 PolarHBondContact OD1-NH2 2.89Å; D272-R352 WeakPolarHBondContact OD2-CB 3.49Å; D272-R352 IonicContact OD2-CZ 2.67Å; D272-R352 PolarHBondContact OD2-N 2.93Å; D272-R352 IonicContact OD2-NE 3.85Å; D272-R352 PolarHBondContact OD2-NE 3.27Å; D272-R352 IonicContact OD2-NH2 3.83Å; I273-R352 PolarHBondContact N-O 2.85Å; I273-R352 VanDerWaalsContact N-O 3.15Å
353	V	98.6	Very high	98	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.4	-175.5	-170.6	0	0	0	0	109.9	L205 I273 I275 Y348 K351 F355	L205-V353 PolarHBondContact N-O 3.34Å; L205-V353 PolarHBondContact O-N 2.71Å; I273-V353 HydrophobicContact CB-CG1 4.27Å; I273-V353 HydrophobicContact CB-CG2 4.27Å; I273-V353 HydrophobicContact CG2-CG1 4.35Å; I273-V353 WeakPolarHBondContact O-CA 3.41Å; I275-V353 HydrophobicContact CD1-CG1 4.48Å; I275-V353 HydrophobicContact CG1-CG1 3.72Å; Y348-V353 HydrophobicContact CD1-CG1 4.27Å; Y348-V353 HydrophobicContact CD1-CG2 3.78Å; Y348-V353 HydrophobicContact CE1-CG1 4.3Å; Y348-V353 HydrophobicContact CG-CG2 3.92Å; K351-V353 HydrophobicContact CB-CG2 3.96Å; V353-F355 HydrophobicContact CB-CE2 3.95Å; V353-F355 HydrophobicContact CB-CZ 4.24Å; V353-F355 HydrophobicContact CG1-CD2 4.25Å; V353-F355 HydrophobicContact CG1-CE1 4.17Å; V353-F355 HydrophobicContact CG1-CE2 3.56Å; V353-F355 HydrophobicContact CG1-CZ 3.52Å
354	C	98.6	Very high	97.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	131.1	176.4	-80.9	0	0	0	0	109.8	L203 P265 V266 C271 I273 I274 I275	L203-C354 CarbonylContact O-C 3.22Å; L203-C354 VanDerWaalsContact O-CA 3.28Å; L203-C354 WeakPolarHBondContact O-CA 3.41Å; P265-C354 VanDerWaalsContact C-SG 3.51Å; P265-C354 WeakPolarHBondContact CB-SG 3.24Å; P265-C354 PolarHBondContact O-SG 3.06Å; V266-C354 HydrophobicContact CG2-CB 3.5Å; V266-C354 VanDerWaalsContact CG2-CB 3.5Å; C271-C354 HydrophobicContact CB-CB 3.65Å; C271-C354 WeakPolarHBondContact CB-SG 3.33Å; C271-C354 VanDerWaalsContact SG-CA 3.52Å; C271-C354 WeakPolarHBondContact SG-CB 3.32Å; C271-C354 PolarHBondContact SG-N 3.23Å; C271-C354 CovalentContact SG-SG 2.03Å; C271-C354 PolarHBondContact SG-SG 2.99Å; I273-C354 PolarHBondContact O-N 3.46Å; I274-C354 HydrophobicContact CG1-CB 4.26Å; I275-C354 PolarHBondContact N-O 3.08Å
355	F	98.5	Very high	97.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	116	174.8	-57.8	-95.3	0	0	0	109.6	N202 L203 L205 I275 T279 F281 Y348 V353	N202-F355 CarbonylContact C-O 3.58Å; N202-F355 VanDerWaalsContact CA-O 3.28Å; N202-F355 WeakPolarHBondContact CA-O 3.38Å; N202-F355 PolarHBondContact N-O 3.21Å; L203-F355 HydrophobicContact CB-CB 4.33Å; L203-F355 HydrophobicContact CD2-CD2 4.33Å; L203-F355 PolarHBondContact N-O 3.19Å; L203-F355 PolarHBondContact O-N 3.01Å; L205-F355 HydrophobicContact CB-CE2 4.34Å; L205-F355 HydrophobicContact CD2-CE2 4.27Å; I275-F355 HydrophobicContact CB-CD1 3.67Å; I275-F355 HydrophobicContact CB-CE1 4.04Å; I275-F355 HydrophobicContact CB-CG 4.39Å; I275-F355 HydrophobicContact CG1-CD1 3.86Å; I275-F355 HydrophobicContact CG1-CE1 3.71Å; I275-F355 HydrophobicContact CG1-CZ 4.37Å; I275-F355 HydrophobicContact CG2-CD1 3.89Å; I275-F355 HydrophobicContact CG2-CE1 4.22Å; T279-F355 HydrophobicContact CG2-CD1 3.81Å; T279-F355 HydrophobicContact CG2-CE1 3.84Å; F281-F355 HydrophobicContact CE1-CE1 4.36Å; F281-F355 HydrophobicContact CE1-CE2 4.38Å; F281-F355 HydrophobicContact CE1-CZ 4.1Å; F281-F355 HydrophobicContact CZ-CD1 4.11Å; F281-F355 AromaticContact CZ-CD2 3.9Å; F281-F355 HydrophobicContact CZ-CD2 3.9Å; F281-F355 AromaticContact CZ-CE1 3.98Å; F281-F355 HydrophobicContact CZ-CE1 3.98Å; F281-F355 AromaticContact CZ-CE2 3.77Å; F281-F355 HydrophobicContact CZ-CE2 3.77Å; F281-F355 HydrophobicContact CZ-CG 4.07Å; F281-F355 AromaticContact CZ-CZ 3.81Å; F281-F355 HydrophobicContact CZ-CZ 3.81Å; Y348-F355 HydrophobicContact CD2-CZ 4.3Å; Y348-F355 HydrophobicContact CE2-CE1 4.23Å; Y348-F355 AromaticContact CE2-CZ 3.88Å; Y348-F355 HydrophobicContact CE2-CZ 3.88Å; V353-F355 HydrophobicContact CB-CE2 3.95Å; V353-F355 HydrophobicContact CB-CZ 4.24Å; V353-F355 HydrophobicContact CG1-CD2 4.25Å; V353-F355 HydrophobicContact CG1-CE1 4.17Å; V353-F355 HydrophobicContact CG1-CE2 3.56Å; V353-F355 HydrophobicContact CG1-CZ 3.52Å
356	K	98	Very high	97.4	Very high	46 Å²	46	29.1 Å²	29.1	20%	0.2	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	-45.3	-176.5	-82.8	-98.4	166.9	-141.3	0	112.4	T201 N202 V266 E267 I274 I275 E276	T201-K356 WeakPolarHBondContact CA-O 3.33Å; N202-K356 PolarHBondContact N-O 2.97Å; N202-K356 WeakPolarHBondContact OD1-CD 3.38Å; N202-K356 PolarHBondContact OD1-NZ 2.76Å; V266-K356 VanDerWaalsContact CG1-CE 3.5Å; E267-K356 IonicContact OE1-NZ 2.72Å; E267-K356 PolarHBondContact OE1-NZ 2.82Å; I274-K356 HydrophobicContact CG2-CG 4.25Å; I275-K356 PolarHBondContact O-N 3.47Å; E276-K356 WeakPolarHBondContact OE2-CG 3.46Å
357	D	98	Very high	97.1	Very high	35 Å²	35	29.9 Å²	29.9	19%	0.187	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	129.2	171.4	-170.3	43.7	0	0	0	109.6	R199 P278 T279	R199-D357 IonicContact CZ-OD1 2.78Å; R199-D357 VanDerWaalsContact CZ-OD1 3.28Å; R199-D357 IonicContact CZ-OD2 2.66Å; R199-D357 IonicContact NE-OD1 3.51Å; R199-D357 PolarHBondContact NE-OD1 2.76Å; R199-D357 VanDerWaalsContact NE-OD1 3.09Å; R199-D357 IonicContact NH2-OD1 3.58Å; R199-D357 PolarHBondContact NH2-OD1 3.02Å; R199-D357 IonicContact NH2-OD2 3.62Å; R199-D357 PolarHBondContact NH2-OD2 2.96Å; P278-D357 WeakPolarHBondContact CA-O 3.5Å; T279-D357 PolarHBondContact N-O 2.97Å
358	S	98.6	Very high	96.6	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.007	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	154.9	-179.4	61.3	0	0	0	0	112.9	R199 A200 T279	R199-S358 WeakPolarHBondContact CG-O 3.28Å; A200-S358 PolarHBondContact N-O 3.24Å; A200-S358 PolarHBondContact O-N 2.93Å; A200-S358 PolarHBondContact O-OG 3.42Å; A200-S358 VanDerWaalsContact O-OG 3.14Å; T279-S358 CarbonylContact O-C 3.59Å; T279-S358 WeakPolarHBondContact O-CA 3.49Å; T279-S358 WeakPolarHBondContact O-CB 3.31Å
359	F	98.8	Very high	96.3	Very high	9 Å²	9	29.1 Å²	29.1	4%	0.039	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	151.8	166	72.3	-95.1	0	0	0	112.4	F197 C198 R199 T279 V280 F281 N307	F197-F359 HydrophobicContact CD2-CD2 4.26Å; F197-F359 HydrophobicContact CE2-CB 4.2Å; F197-F359 AromaticContact CE2-CD2 3.42Å; F197-F359 HydrophobicContact CE2-CD2 3.42Å; F197-F359 VanDerWaalsContact CE2-CD2 3.42Å; F197-F359 AromaticContact CE2-CE2 3.98Å; F197-F359 HydrophobicContact CE2-CE2 3.98Å; F197-F359 AromaticContact CE2-CG 3.99Å; F197-F359 HydrophobicContact CE2-CG 3.99Å; F197-F359 HydrophobicContact CZ-CB 3.95Å; F197-F359 AromaticContact CZ-CD2 3.99Å; F197-F359 HydrophobicContact CZ-CD2 3.99Å; F197-F359 HydrophobicContact CZ-CG 4.07Å; C198-F359 CarbonylContact O-C 3.38Å; C198-F359 WeakPolarHBondContact O-CA 3.21Å; C198-F359 VanDerWaalsContact O-CB 3.32Å; C198-F359 WeakPolarHBondContact O-CB 3.35Å; R199-F359 HydrophobicContact CB-CB 4.27Å; R199-F359 HydrophobicContact CG-CB 4.37Å; T279-F359 PolarHBondContact O-N 3.05Å; V280-F359 CarbonylContact C-O 3.53Å; V280-F359 WeakPolarHBondContact CA-O 3.46Å; V280-F359 HydrophobicContact CB-CE1 4.47Å; V280-F359 HydrophobicContact CB-CE2 4.32Å; V280-F359 HydrophobicContact CB-CZ 4.15Å; V280-F359 HydrophobicContact CG1-CD2 4.02Å; V280-F359 HydrophobicContact CG1-CE1 4.43Å; V280-F359 HydrophobicContact CG1-CE2 3.45Å; V280-F359 VanDerWaalsContact CG1-CE2 3.45Å; V280-F359 HydrophobicContact CG1-CZ 3.7Å; V280-F359 HydrophobicContact CG2-CD1 4.26Å; V280-F359 HydrophobicContact CG2-CE1 3.52Å; V280-F359 HydrophobicContact CG2-CE2 4.07Å; V280-F359 HydrophobicContact CG2-CZ 3.41Å; V280-F359 VanDerWaalsContact CG2-CZ 3.41Å; F281-F359 PolarHBondContact N-O 3.3Å; N307-F359 HydrophobicContact CB-CD1 4Å; N307-F359 HydrophobicContact CB-CE1 3.86Å; N307-F359 HydrophobicContact CB-CZ 4.25Å; N307-F359 VanDerWaalsContact CG-CD1 3.42Å; N307-F359 WeakPolarHBondContact ND2-CD1 3.32Å; N307-F359 VanDerWaalsContact ND2-CE1 3.25Å; N307-F359 WeakPolarHBondContact ND2-CE1 3.42Å
360	F	98.8	Very high	95.9	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	118.8	173.6	-62.1	-93.2	0	0	0	107.3	F197 C198 L203 I227 W251 L255 F281 W319	F197-F360 WeakPolarHBondContact CD2-O 3.36Å; C198-F360 HydrophobicContact CB-CB 4.19Å; C198-F360 HydrophobicContact CB-CD2 3.85Å; C198-F360 HydrophobicContact CB-CG 4.38Å; C198-F360 PolarHBondContact N-O 3.38Å; C198-F360 PolarHBondContact O-N 3.45Å; L203-F360 HydrophobicContact CD2-CE2 4.25Å; L203-F360 HydrophobicContact CD2-CZ 4.01Å; I227-F360 HydrophobicContact CD1-CZ 4.5Å; W251-F360 HydrophobicContact CD2-CB 3.83Å; W251-F360 AromaticContact CD2-CD1 3.71Å; W251-F360 HydrophobicContact CD2-CD1 3.71Å; W251-F360 HydrophobicContact CD2-CG 4.18Å; W251-F360 AromaticContact CE3-CD1 3.55Å; W251-F360 HydrophobicContact CE3-CD1 3.55Å; W251-F360 HydrophobicContact CE3-CE1 4.22Å; W251-F360 HydrophobicContact CE3-CG 4.46Å; W251-F360 HydrophobicContact CG-CB 3.82Å; W251-F360 HydrophobicContact CG-CD1 4.24Å; W251-F360 HydrophobicContact CG-CG 4.33Å; W251-F360 HydrophobicContact CH2-CD1 4.11Å; W251-F360 HydrophobicContact CZ2-CB 4.22Å; W251-F360 HydrophobicContact CZ2-CD1 4.3Å; W251-F360 AromaticContact CZ3-CD1 3.77Å; W251-F360 HydrophobicContact CZ3-CD1 3.77Å; W251-F360 HydrophobicContact CZ3-CE1 4.34Å; L255-F360 HydrophobicContact CD2-CE2 4.13Å; L255-F360 HydrophobicContact CD2-CZ 4.02Å; F281-F360 HydrophobicContact CB-CD1 3.62Å; F281-F360 HydrophobicContact CB-CE1 3.97Å; F281-F360 HydrophobicContact CB-CG 4.29Å; F281-F360 AromaticContact CD2-CD1 3.88Å; F281-F360 HydrophobicContact CD2-CD1 3.88Å; F281-F360 HydrophobicContact CD2-CD2 4.39Å; F281-F360 AromaticContact CD2-CE1 3.6Å; F281-F360 HydrophobicContact CD2-CE1 3.6Å; F281-F360 HydrophobicContact CD2-CE2 4.14Å; F281-F360 HydrophobicContact CD2-CG 4.27Å; F281-F360 AromaticContact CD2-CZ 3.74Å; F281-F360 HydrophobicContact CD2-CZ 3.74Å; F281-F360 HydrophobicContact CE2-CE1 4.32Å; F281-F360 HydrophobicContact CE2-CZ 4.1Å; F281-F360 HydrophobicContact CG-CD1 4.03Å; F281-F360 AromaticContact CG-CE1 3.89Å; F281-F360 HydrophobicContact CG-CE1 3.89Å; F281-F360 HydrophobicContact CG-CZ 4.47Å; W319-F360 HydrophobicContact CE3-CE1 4.47Å; W319-F360 HydrophobicContact CZ3-CE1 4.17Å
361	S	98.6	Very high	95.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	10%	0.097	C	C	.	.	P	Polyproline II helix	trans	-66.2	163.5	-173.7	72.6	0	0	0	0	112.5	W251 F281	W251-S361 PolarHBondContact NE1-O 3.27Å; F281-S361 PolarHBondContact O-N 3.45Å; F281-S361 PolarHBondContact O-OG 3Å
362	L	98.3	Very high	94.9	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	8%	0.08	C	C	.	.	P	Polyproline II helix	trans	-54.4	148.2	159.3	-67.4	175.2	0	0	0	110.5	Y167 R171 R196 F197 N299 I302 S303 I306 M366	Y167-L362 HydrophobicContact CE1-CD1 4.12Å; R171-L362 HydrophobicContact CG-CD2 4.46Å; R196-L362 HydrophobicContact CB-CD2 4.47Å; R196-L362 WeakPolarHBondContact O-CA 3.39Å; F197-L362 HydrophobicContact CB-CD2 3.89Å; F197-L362 HydrophobicContact CB-CG 4.47Å; N299-L362 HydrophobicContact CB-CB 3.95Å; I302-L362 HydrophobicContact CB-CD1 3.9Å; I302-L362 HydrophobicContact CG2-CD1 3.41Å; I302-L362 VanDerWaalsContact CG2-CD1 3.41Å; S303-L362 PolarHBondContact OG-N 3.36Å; I306-L362 HydrophobicContact CD1-CD1 3.77Å; I306-L362 HydrophobicContact CD1-CD2 4.26Å; I306-L362 HydrophobicContact CD1-CG 4.09Å; L362-M366 HydrophobicContact CB-CE 3.73Å; L362-M366 HydrophobicContact CB-SD 4.18Å; L362-M366 HydrophobicContact CD1-CE 4.34Å; L362-M366 HydrophobicContact CD2-CE 3.92Å; L362-M366 HydrophobicContact CD2-SD 3.74Å; L362-M366 HydrophobicContact CG-CE 4.2Å
363	L	97	Very high	94.2	Very high	1 Å²	1	19 Å²	19	1%	0.005	8%	0.081	C	C	.	.			trans	-104	149.9	-172.8	-53.8	99.3	0	0	0	112.3	R196 L248 W251 K283 R365 M366	R196-L363 VanDerWaalsContact O-CD1 3.27Å; R196-L363 WeakPolarHBondContact O-CD1 3.34Å; L248-L363 WeakPolarHBondContact O-CB 3.38Å; W251-L363 HydrophobicContact CD2-CD2 4.35Å; W251-L363 HydrophobicContact CG-CD1 4.43Å; W251-L363 HydrophobicContact CG-CD2 4.41Å; K283-L363 HydrophobicContact CD-CD2 4.09Å; L363-R365 VanDerWaalsContact C-N 3.33Å; L363-R365 PolarHBondContact O-N 2.89Å; L363-M366 HydrophobicContact CB-CG 4.1Å; L363-M366 HydrophobicContact CD1-CG 4.35Å; L363-M366 WeakPolarHBondContact O-CE 3.21Å; L363-M366 WeakPolarHBondContact O-CG 3.34Å
364	P	94.5	Very high	93.6	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.013	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-26.6	-171.5	22.1	-34.3	0	0	0	115.5	L248 D285 C295 D296 Y372	L248-P364 HydrophobicContact CB-CG 4.2Å; L248-P364 HydrophobicContact CD1-CG 4.23Å; L248-P364 HydrophobicContact CD2-CG 3.86Å; L248-P364 HydrophobicContact CG-CG 4.33Å; D285-P364 HydrophobicContact CB-CB 3.87Å; D285-P364 HydrophobicContact CB-CG 4.02Å; C295-P364 WeakPolarHBondContact SG-CB 3.39Å; D296-P364 WeakPolarHBondContact OD1-CB 3.46Å; D296-P364 WeakPolarHBondContact OD1-CG 3.48Å; P364-Y372 WeakPolarHBondContact O-CB 3.46Å; P364-Y372 WeakPolarHBondContact O-CD2 3.31Å
365	R	93.4	Very high	93	Very high	57 Å²	57	21.6 Å²	21.6	22%	0.215	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	15.7	-171.7	-57.6	-59	-167.3	143.6	9.7	114.5	L248 Q249 D285 H292 L363 R367 Y372 N373	L248-R365 HydrophobicContact CB-CB 3.86Å; L248-R365 HydrophobicContact CB-CG 3.79Å; L248-R365 HydrophobicContact CD1-CG 4.09Å; L248-R365 CarbonylContact O-C 3.54Å; L248-R365 WeakPolarHBondContact O-CA 3.5Å; L248-R365 WeakPolarHBondContact O-CB 3.47Å; L248-R365 PolarHBondContact O-N 3.45Å; Q249-R365 HydrophobicContact CG-CB 4.2Å; Q249-R365 WeakPolarHBondContact CG-O 3.4Å; D285-R365 VanDerWaalsContact CG-NH2 3.27Å; D285-R365 IonicContact OD1-CZ 2.76Å; D285-R365 VanDerWaalsContact OD1-CZ 3.28Å; D285-R365 IonicContact OD1-NE 3.44Å; D285-R365 PolarHBondContact OD1-NE 3.04Å; D285-R365 IonicContact OD1-NH2 2.99Å; D285-R365 PolarHBondContact OD1-NH2 3.03Å; D285-R365 IonicContact OD2-CZ 3.66Å; D285-R365 IonicContact OD2-NE 2.66Å; D285-R365 PolarHBondContact OD2-NE 2.79Å; D285-R365 VanDerWaalsContact OD2-NE 3.09Å; D285-R365 IonicContact OD2-NH2 3.21Å; D285-R365 PolarHBondContact OD2-NH2 3.41Å; H292-R365 PolarHBondContact CE1-NH2 3.33Å; H292-R365 VanDerWaalsContact CE1-NH2 3.3Å; H292-R365 PolarHBondContact ND1-NH2 3.32Å; H292-R365 VanDerWaalsContact ND1-NH2 3.15Å; L363-R365 VanDerWaalsContact C-N 3.33Å; L363-R365 PolarHBondContact O-N 2.89Å; R365-R367 PolarHBondContact O-N 3.31Å; R365-Y372 VanDerWaalsContact NH1-CE1 3.26Å; R365-Y372 VanDerWaalsContact NH1-CZ 3.28Å; R365-N373 PolarHBondContact O-ND2 3.4Å; R365-N373 VanDerWaalsContact O-ND2 3.09Å
366	M	93	Very high	92.6	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	10%	0.101	C	C	.	.			trans	-47.1	139.8	179.9	-70.2	-179.7	-59	0	0	113.1	R196 N299 L362 L363 Y368 G369 N373	R196-M366 HydrophobicContact CB-SD 3.82Å; R196-M366 HydrophobicContact CG-CG 4.33Å; R196-M366 HydrophobicContact CG-SD 4.04Å; N299-M366 WeakPolarHBondContact OD1-CE 3.49Å; L362-M366 HydrophobicContact CB-CE 3.73Å; L362-M366 HydrophobicContact CB-SD 4.18Å; L362-M366 HydrophobicContact CD1-CE 4.34Å; L362-M366 HydrophobicContact CD2-CE 3.92Å; L362-M366 HydrophobicContact CD2-SD 3.74Å; L362-M366 HydrophobicContact CG-CE 4.2Å; L363-M366 HydrophobicContact CB-CG 4.1Å; L363-M366 HydrophobicContact CD1-CG 4.35Å; L363-M366 WeakPolarHBondContact O-CE 3.21Å; L363-M366 WeakPolarHBondContact O-CG 3.34Å; M366-Y368 PolarHBondContact O-N 2.94Å; M366-G369 PolarHBondContact O-N 3.22Å; M366-N373 WeakPolarHBondContact O-CB 3.34Å; M366-N373 PolarHBondContact O-ND2 3.05Å
367	R	89.7	Confident	92.4	Very high	85 Å²	85	20 Å²	20	32%	0.321	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	123.4	168.4	-176.3	-175.8	175.4	175.6	0	109.9	R196 R365	R196-R367 VanDerWaalsContact CZ-O 3.24Å; R196-R367 PolarHBondContact NH1-O 3.41Å; R196-R367 VanDerWaalsContact NH1-O 3.09Å; R196-R367 PolarHBondContact NH2-O 2.93Å; R365-R367 PolarHBondContact O-N 3.31Å
368	Y	87.4	Confident	92	Very high	91 Å²	91	20.4 Å²	20.4	36%	0.357	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	39.6	-166.2	-43.2	-63.9	0	0	0	111.7	Y167 M366 N373 P375	Y167-Y368 PolarHBondContact OH-O 3.2Å; M366-Y368 PolarHBondContact O-N 2.94Å; Y368-N373 WeakPolarHBondContact CA-O 3.24Å; Y368-P375 HydrophobicContact CD1-CG 4.08Å
369	G	90.2	Very high	91.7	Very high	2 Å²	2	23.5 Å²	23.5	2%	0.021	11%	0.112	C	C	.	.			trans	-73.4	176.1	170.2	0	0	0	0	0	112.5	M366 Y372 T374	M366-G369 PolarHBondContact O-N 3.22Å; G369-Y372 CarbonylContact C-O 3.59Å; G369-Y372 VanDerWaalsContact C-O 3.22Å; G369-Y372 WeakPolarHBondContact CA-O 3.46Å; G369-T374 VanDerWaalsContact O-CA 3.28Å; G369-T374 WeakPolarHBondContact O-CA 3.25Å; G369-T374 WeakPolarHBondContact O-CB 3.41Å; G369-T374 PolarHBondContact O-OG1 3.23Å
370	L	89	Confident	91.5	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	11%	0.11	C	C	.	.	S	Bend	trans	-102.4	149.2	166.7	-161.5	47.8	0	0	0	109	A163 Y167 I302 Y372 T374 M385 F386 L504	A163-L370 HydrophobicContact CB-CD1 4.36Å; Y167-L370 HydrophobicContact CE1-CB 4.45Å; Y167-L370 HydrophobicContact CE2-CB 4.47Å; Y167-L370 HydrophobicContact CG-CD2 4.35Å; I302-L370 HydrophobicContact CD1-CB 4Å; I302-L370 HydrophobicContact CD1-CD2 3.74Å; I302-L370 HydrophobicContact CD1-CG 4.18Å; L370-Y372 PolarHBondContact O-N 2.89Å; L370-T374 VanDerWaalsContact CA-OG1 3.31Å; L370-T374 WeakPolarHBondContact CA-OG1 3.25Å; L370-T374 HydrophobicContact CD1-CG2 3.65Å; L370-M385 HydrophobicContact CD2-CG 4.11Å; L370-F386 HydrophobicContact CD1-CE2 3.8Å; L370-F386 HydrophobicContact CD1-CZ 4.25Å; L370-F386 HydrophobicContact CD2-CE2 3.87Å; L370-F386 HydrophobicContact CG-CE2 3.58Å; L370-F386 HydrophobicContact CG-CZ 3.92Å; L370-L504 HydrophobicContact CD1-CD1 4.49Å; L370-L504 HydrophobicContact CD1-CD2 3.97Å
371	F	90.2	Very high	91.4	Very high	12 Å²	12	26.6 Å²	26.6	5%	0.053	13%	0.126	C	C	.	.	S	Bend	trans	71.1	-54.9	-165.6	-158.9	-64.4	0	0	0	113.7	Y291 F294 C295 V298 T374 F386 T475 L478 L501	Y291-F371 HydrophobicContact CD1-CE1 4.24Å; Y291-F371 AromaticContact CD2-CE1 4Å; Y291-F371 HydrophobicContact CD2-CE1 4Å; Y291-F371 HydrophobicContact CD2-CZ 4.1Å; Y291-F371 HydrophobicContact CE1-CE1 4Å; Y291-F371 AromaticContact CE2-CE1 3.77Å; Y291-F371 HydrophobicContact CE2-CE1 3.77Å; Y291-F371 HydrophobicContact CE2-CZ 4.17Å; Y291-F371 HydrophobicContact CG-CE1 4.23Å; Y291-F371 HydrophobicContact CG-CZ 4.49Å; Y291-F371 AromaticContact CZ-CE1 3.76Å; Y291-F371 WeakPolarHBondContact O-CE1 3.35Å; Y291-F371 VanDerWaalsContact O-CZ 3.28Å; Y291-F371 WeakPolarHBondContact O-CZ 3.31Å; F294-F371 HydrophobicContact CB-CE2 4.19Å; F294-F371 HydrophobicContact CB-CZ 4.45Å; C295-F371 HydrophobicContact CB-CB 3.89Å; C295-F371 HydrophobicContact CB-CD1 3.38Å; C295-F371 HydrophobicContact CB-CD2 3.86Å; C295-F371 HydrophobicContact CB-CE1 3.74Å; C295-F371 HydrophobicContact CB-CE2 4.18Å; C295-F371 HydrophobicContact CB-CG 3.45Å; C295-F371 VanDerWaalsContact CB-CG 3.45Å; C295-F371 HydrophobicContact CB-CZ 4.14Å; V298-F371 HydrophobicContact CB-CD2 4.26Å; V298-F371 HydrophobicContact CG2-CD2 4.06Å; V298-F371 HydrophobicContact CG2-CE2 4.47Å; F371-T374 PolarHBondContact N-OG1 3.46Å; F371-F386 HydrophobicContact CB-CE1 4.45Å; F371-F386 HydrophobicContact CB-CZ 4.22Å; F371-F386 AromaticContact CD2-CE1 3.83Å; F371-F386 HydrophobicContact CD2-CE1 3.83Å; F371-F386 HydrophobicContact CD2-CZ 4.42Å; F371-F386 HydrophobicContact CG-CE1 4.48Å; F371-T475 HydrophobicContact CZ-CG2 4.34Å; F371-L478 HydrophobicContact CE2-CD1 4.23Å; F371-L501 HydrophobicContact CD2-CD1 3.96Å; F371-L501 HydrophobicContact CE2-CD1 3.88Å; F371-L501 HydrophobicContact CE2-CD2 4.5Å; F371-L501 HydrophobicContact CG-CD1 4.36Å; F371-L501 HydrophobicContact CZ-CD1 4.22Å; F371-L501 HydrophobicContact CZ-CD2 4.3Å
372	Y	85.6	Confident	91.2	Very high	8 Å²	8	26.7 Å²	26.7	3%	0.031	13%	0.127	C	C	.	.	S	Bend	trans	-107.8	146.6	173.5	-84.6	-66.7	0	0	0	112.3	C17 Y291 H292 C295 P364 R365 G369 L370 T374	C17-Y372 HydrophobicContact CB-CE1 4.18Å; Y291-Y372 HydrophobicContact CD1-CE1 4.48Å; Y291-Y372 AromaticContact CD1-CZ 3.92Å; Y291-Y372 WeakPolarHBondContact CD1-OH 3.42Å; Y291-Y372 AromaticContact CE1-CE1 3.68Å; Y291-Y372 HydrophobicContact CE1-CE1 3.68Å; Y291-Y372 HydrophobicContact CE1-CE2 4.48Å; Y291-Y372 AromaticContact CE1-CZ 3.53Å; Y291-Y372 WeakPolarHBondContact CE1-OH 3.31Å; H292-Y372 PolarHBondContact CE1-OH 2.84Å; H292-Y372 AromaticContact ND1-CZ 3.91Å; H292-Y372 PolarHBondContact ND1-OH 3.31Å; C295-Y372 HydrophobicContact CB-CD2 3.86Å; C295-Y372 HydrophobicContact CB-CE2 3.96Å; C295-Y372 VanDerWaalsContact SG-CE2 3.59Å; P364-Y372 WeakPolarHBondContact O-CB 3.46Å; P364-Y372 WeakPolarHBondContact O-CD2 3.31Å; R365-Y372 VanDerWaalsContact NH1-CE1 3.26Å; R365-Y372 VanDerWaalsContact NH1-CZ 3.28Å; G369-Y372 CarbonylContact C-O 3.59Å; G369-Y372 VanDerWaalsContact C-O 3.22Å; G369-Y372 WeakPolarHBondContact CA-O 3.46Å; L370-Y372 PolarHBondContact O-N 2.89Å; Y372-T374 PolarHBondContact O-N 2.95Å; Y372-T374 VanDerWaalsContact O-N 3.07Å
373	N	83	Confident	91.1	Very high	46 Å²	46	29.8 Å²	29.8	25%	0.246	14%	0.141	C	C	.	.	S	Bend	trans	54.3	24.9	177.1	-48.2	-43.6	0	0	0	113.9	I14 R365 M366 Y368 P375	I14-N373 HydrophobicContact CG2-CB 4.03Å; I14-N373 WeakPolarHBondContact CG2-OD1 3.08Å; R365-N373 PolarHBondContact O-ND2 3.4Å; R365-N373 VanDerWaalsContact O-ND2 3.09Å; M366-N373 WeakPolarHBondContact O-CB 3.34Å; M366-N373 PolarHBondContact O-ND2 3.05Å; Y368-N373 WeakPolarHBondContact CA-O 3.24Å; N373-P375 WeakPolarHBondContact O-CD 3.37Å
374	T	87.4	Confident	91	Very high	27 Å²	27	29.7 Å²	29.7	17%	0.166	14%	0.141	C	C	.	.			trans	-76.7	119.2	-177.6	-50.2	0	0	0	0	109.9	A163 G369 L370 F371 Y372 L376	A163-T374 HydrophobicContact CB-CG2 4.32Å; G369-T374 VanDerWaalsContact O-CA 3.28Å; G369-T374 WeakPolarHBondContact O-CA 3.25Å; G369-T374 WeakPolarHBondContact O-CB 3.41Å; G369-T374 PolarHBondContact O-OG1 3.23Å; L370-T374 VanDerWaalsContact CA-OG1 3.31Å; L370-T374 WeakPolarHBondContact CA-OG1 3.25Å; L370-T374 HydrophobicContact CD1-CG2 3.65Å; F371-T374 PolarHBondContact N-OG1 3.46Å; Y372-T374 PolarHBondContact O-N 2.95Å; Y372-T374 VanDerWaalsContact O-N 3.07Å; T374-L376 HydrophobicContact CG2-CD1 3.94Å; T374-L376 PolarHBondContact O-N 3.44Å
375	P	85.3	Confident	91.2	Very high	29 Å²	29	29.7 Å²	29.7	19%	0.188	14%	0.141	C	C	.	.			trans	-73.2	99.8	172.9	30.5	-31.9	0	0	0	108.6	W148 Q162 Y368 N373	W148-P375 HydrophobicContact CH2-CB 3.82Å; W148-P375 HydrophobicContact CZ3-CB 3.97Å; Q162-P375 HydrophobicContact CB-CG 4.47Å; Q162-P375 HydrophobicContact CG-CG 4.33Å; Q162-P375 PolarHBondContact OE1-O 3.46Å; Q162-P375 VanDerWaalsContact OE1-O 3.1Å; Y368-P375 HydrophobicContact CD1-CG 4.08Å; N373-P375 WeakPolarHBondContact O-CD 3.37Å
376	L	90.7	Very high	91.4	Very high	11 Å²	11	27 Å²	27	6%	0.058	13%	0.131	C	C	.	.			trans	-100.2	107.9	-174.6	-146.7	80.3	0	0	0	111.9	F159 A163 T374 T378 D500 R503 L504	F159-L376 HydrophobicContact CD2-CD1 4.37Å; F159-L376 HydrophobicContact CD2-CG 4.22Å; F159-L376 HydrophobicContact CE2-CD1 3.75Å; F159-L376 HydrophobicContact CE2-CD2 3.89Å; F159-L376 HydrophobicContact CE2-CG 3.57Å; F159-L376 HydrophobicContact CZ-CD1 3.95Å; F159-L376 HydrophobicContact CZ-CD2 4.29Å; F159-L376 HydrophobicContact CZ-CG 4.2Å; A163-L376 HydrophobicContact CB-CD1 3.43Å; A163-L376 VanDerWaalsContact CB-CD1 3.43Å; T374-L376 HydrophobicContact CG2-CD1 3.94Å; T374-L376 PolarHBondContact O-N 3.44Å; L376-T378 PolarHBondContact O-N 3.03Å; L376-D500 HydrophobicContact CD2-CB 3.74Å; L376-R503 HydrophobicContact CD2-CB 4.09Å; L376-L504 HydrophobicContact CD1-CD2 3.69Å; L376-L504 HydrophobicContact CD1-CG 4.03Å; L376-L504 HydrophobicContact CD2-CG 4.43Å
377	V	92.4	Very high	91.7	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.012	13%	0.133	C	C	.	.			trans	-49.5	125.3	175.8	-174.9	0	0	0	0	110.5	W148 A155 L158 F159 R503	W148-V377 HydrophobicContact CB-CG1 3.87Å; W148-V377 HydrophobicContact CD2-CB 4.32Å; W148-V377 HydrophobicContact CD2-CG1 4.37Å; W148-V377 HydrophobicContact CD2-CG2 4.3Å; W148-V377 HydrophobicContact CE3-CB 4.22Å; W148-V377 HydrophobicContact CE3-CG2 3.73Å; W148-V377 HydrophobicContact CG-CG1 4.07Å; W148-V377 HydrophobicContact CZ3-CG2 4.19Å; A155-V377 HydrophobicContact CB-CG1 4.01Å; L158-V377 HydrophobicContact CB-CG2 4.12Å; L158-V377 HydrophobicContact CD2-CG2 3.75Å; L158-V377 HydrophobicContact CG-CG2 3.74Å; F159-V377 HydrophobicContact CB-CB 4.34Å; F159-V377 HydrophobicContact CB-CG2 4.15Å; F159-V377 HydrophobicContact CD2-CB 4.19Å; V377-R503 PolarHBondContact O-NH2 2.95Å
378	T	91	Very high	92.1	Very high	42 Å²	42	23.7 Å²	23.7	26%	0.258	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	155.7	-176.8	60.2	0	0	0	0	112.7	N145 L376 C380	N145-T378 VanDerWaalsContact CB-OG1 3.25Å; N145-T378 WeakPolarHBondContact CB-OG1 3.19Å; N145-T378 PolarHBondContact ND2-OG1 3.29Å; L376-T378 PolarHBondContact O-N 3.03Å; T378-C380 PolarHBondContact O-N 3.22Å
379	D	91.8	Very high	92.6	Very high	66 Å²	66	19.4 Å²	19.4	35%	0.353	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	9.8	179	-58.4	-85	0	0	0	116.1	C141 T142 K143	C141-D379 WeakPolarHBondContact CA-O 3.48Å; T142-D379 PolarHBondContact N-O 2.64Å; T142-D379 PolarHBondContact OG1-O 2.96Å; K143-D379 HydrophobicContact CB-CB 3.9Å
380	C	95.2	Very high	93	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.007	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	153.7	173.1	-59.4	0	0	0	0	112.7	V140 C141 F159 T378 R503	V140-C380 CarbonylContact O-C 3.45Å; V140-C380 WeakPolarHBondContact O-CA 3.41Å; C141-C380 HydrophobicContact CB-CB 4.1Å; C141-C380 WeakPolarHBondContact CB-SG 3.44Å; C141-C380 WeakPolarHBondContact SG-CB 3.48Å; C141-C380 CovalentContact SG-SG 2.03Å; C141-C380 PolarHBondContact SG-SG 2.76Å; F159-C380 HydrophobicContact CB-CB 4.25Å; F159-C380 HydrophobicContact CD2-CB 3.28Å; F159-C380 HydrophobicContact CE2-CB 3.71Å; F159-C380 HydrophobicContact CG-CB 3.91Å; T378-C380 PolarHBondContact O-N 3.22Å; C380-R503 VanDerWaalsContact O-CZ 3.31Å; C380-R503 PolarHBondContact O-NE 2.86Å; C380-R503 PolarHBondContact O-NH2 3.34Å
381	H	95.7	Very high	93.5	Very high	73 Å²	73	20.9 Å²	20.9	34%	0.338	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	165.2	171.4	62.7	-62	0	0	0	110.3	P139 V140 R503	P139-H381 CarbonylContact C-O 3.54Å; P139-H381 VanDerWaalsContact CA-O 3.29Å; P139-H381 WeakPolarHBondContact CA-O 3.44Å; P139-H381 WeakPolarHBondContact CB-O 3.47Å; V140-H381 PolarHBondContact N-O 3.38Å; V140-H381 PolarHBondContact O-N 3.03Å; V140-H381 PolarHBondContact O-ND1 3.1Å; H381-R503 WeakPolarHBondContact CA-O 3.47Å; H381-R503 HydrophobicContact CB-CB 4.19Å; H381-R503 HydrophobicContact CB-CG 4.49Å; H381-R503 WeakPolarHBondContact CB-O 3.49Å
382	T	94.9	Very high	93.9	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.012	11%	0.106	C	C	.	.			trans	-141.9	155.5	175.5	-166.9	0	0	0	0	112.4	F159 D164 G384 R503 G506	F159-T382 HydrophobicContact CE1-CG2 3.68Å; F159-T382 HydrophobicContact CZ-CG2 4.42Å; D164-T382 HydrophobicContact CB-CG2 4.37Å; D164-T382 WeakPolarHBondContact OD2-CB 3.31Å; D164-T382 PolarHBondContact OD2-OG1 3.04Å; T382-G384 PolarHBondContact OG1-N 3.45Å; T382-R503 PolarHBondContact N-O 2.98Å; T382-G506 WeakPolarHBondContact O-CA 3.42Å; T382-G506 PolarHBondContact O-N 2.87Å; T382-G506 VanDerWaalsContact O-N 3.13Å
383	E	94.9	Very high	94.5	Very high	66 Å²	66	20 Å²	20	31%	0.308	10%	0.104	S	C	.	.	S	Bend	trans	-103	35.4	167	-73.1	-168.1	-157.1	0	0	111.1	R387 K561	E383-R387 WeakPolarHBondContact O-CB 3.14Å; E383-R387 WeakPolarHBondContact O-CD 3.41Å; E383-R387 IonicContact OE2-NE 2.97Å; E383-K561 IonicContact OE1-NZ 3.14Å; E383-K561 IonicContact OE2-NZ 2.81Å; E383-K561 PolarHBondContact OE2-NZ 3.16Å
384	G	96.3	Very high	95.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	-99.8	-123.3	-170.5	0	0	0	0	0	115.5	S137 D164 T382 F386 R387 A388	S137-G384 VanDerWaalsContact CB-CA 3.49Å; S137-G384 WeakPolarHBondContact OG-CA 3.44Å; D164-G384 VanDerWaalsContact OD1-CA 3.31Å; D164-G384 WeakPolarHBondContact OD1-CA 3.47Å; T382-G384 PolarHBondContact OG1-N 3.45Å; G384-F386 VanDerWaalsContact C-N 3.31Å; G384-F386 PolarHBondContact O-N 2.71Å; G384-F386 VanDerWaalsContact O-N 3.08Å; G384-R387 WeakPolarHBondContact O-CA 3.24Å; G384-R387 WeakPolarHBondContact O-CB 3.4Å; G384-R387 PolarHBondContact O-N 2.81Å; G384-A388 PolarHBondContact O-N 3.23Å
385	M	97.7	Very high	95.8	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-39.1	-50.5	-173.5	-178.4	60.5	70.9	0	0	115.1	D164 F165 V168 Y301 I302 L370 A388 F389	D164-M385 PolarHBondContact OD1-N 3.21Å; F165-M385 HydrophobicContact CD1-CE 3.35Å; F165-M385 HydrophobicContact CD1-SD 4.36Å; F165-M385 HydrophobicContact CE1-CE 3.42Å; F165-M385 VanDerWaalsContact CE1-CE 3.42Å; F165-M385 HydrophobicContact CE1-SD 3.84Å; F165-M385 HydrophobicContact CG-CE 4Å; F165-M385 HydrophobicContact CZ-CE 4.15Å; F165-M385 HydrophobicContact CZ-SD 4.13Å; V168-M385 HydrophobicContact CG2-CE 3.55Å; Y301-M385 HydrophobicContact CD1-SD 3.94Å; Y301-M385 HydrophobicContact CE1-SD 3.83Å; I302-M385 HydrophobicContact CG1-CE 4.23Å; I302-M385 HydrophobicContact CG1-CG 4.2Å; I302-M385 HydrophobicContact CG1-SD 3.76Å; L370-M385 HydrophobicContact CD2-CG 4.11Å; M385-A388 PolarHBondContact O-N 3.37Å; M385-F389 WeakPolarHBondContact O-CB 3.29Å; M385-F389 PolarHBondContact O-N 2.79Å
386	F	98.3	Very high	96.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-77.6	-27	-176.9	-75.6	-112.1	0	0	0	113.5	V298 L370 F371 G384 S390 L478 L501 L504 R505	V298-F386 HydrophobicContact CG1-CE1 3.95Å; V298-F386 HydrophobicContact CG1-CE2 4.44Å; V298-F386 HydrophobicContact CG1-CZ 3.85Å; V298-F386 HydrophobicContact CG2-CD1 4.39Å; V298-F386 HydrophobicContact CG2-CE1 4.13Å; L370-F386 HydrophobicContact CD1-CE2 3.8Å; L370-F386 HydrophobicContact CD1-CZ 4.25Å; L370-F386 HydrophobicContact CD2-CE2 3.87Å; L370-F386 HydrophobicContact CG-CE2 3.58Å; L370-F386 HydrophobicContact CG-CZ 3.92Å; F371-F386 HydrophobicContact CB-CE1 4.45Å; F371-F386 HydrophobicContact CB-CZ 4.22Å; F371-F386 AromaticContact CD2-CE1 3.83Å; F371-F386 HydrophobicContact CD2-CE1 3.83Å; F371-F386 HydrophobicContact CD2-CZ 4.42Å; F371-F386 HydrophobicContact CG-CE1 4.48Å; G384-F386 VanDerWaalsContact C-N 3.31Å; G384-F386 PolarHBondContact O-N 2.71Å; G384-F386 VanDerWaalsContact O-N 3.08Å; F386-S390 WeakPolarHBondContact O-CB 3.42Å; F386-S390 PolarHBondContact O-N 2.81Å; F386-L478 HydrophobicContact CD1-CD2 3.78Å; F386-L478 HydrophobicContact CE1-CD2 4.47Å; F386-L501 HydrophobicContact CD1-CD1 4.18Å; F386-L501 HydrophobicContact CE1-CD1 3.72Å; F386-L504 HydrophobicContact CB-CB 4.49Å; F386-L504 WeakPolarHBondContact CB-O 3.38Å; F386-L504 HydrophobicContact CD1-CB 4.3Å; F386-L504 HydrophobicContact CD2-CB 3.74Å; F386-L504 HydrophobicContact CD2-CD2 4.14Å; F386-L504 HydrophobicContact CD2-CG 4.37Å; F386-L504 HydrophobicContact CE1-CB 4.46Å; F386-L504 HydrophobicContact CE1-CD1 4.35Å; F386-L504 HydrophobicContact CE2-CB 3.93Å; F386-L504 HydrophobicContact CE2-CD1 3.91Å; F386-L504 HydrophobicContact CE2-CD2 3.83Å; F386-L504 HydrophobicContact CE2-CG 4.11Å; F386-L504 HydrophobicContact CG-CB 3.94Å; F386-L504 HydrophobicContact CZ-CB 4.3Å; F386-L504 HydrophobicContact CZ-CD1 3.79Å; F386-L504 HydrophobicContact CZ-CG 4.45Å; F386-R505 HydrophobicContact CB-CB 4.31Å
387	R	98.3	Very high	96.7	Very high	17 Å²	17	20.5 Å²	20.5	6%	0.064	10%	0.099	C	C	.	.	H	α-helix	trans	-68.5	-44	168.9	176.3	175.1	174.1	-98.3	-6.1	110.1	E89 E383 G384 S390 Q391 D482	E89-R387 VanDerWaalsContact CD-NH2 3.3Å; E89-R387 IonicContact OE1-CZ 2.87Å; E89-R387 VanDerWaalsContact OE1-CZ 3.31Å; E89-R387 IonicContact OE1-NH1 3.14Å; E89-R387 PolarHBondContact OE1-NH1 2.83Å; E89-R387 IonicContact OE1-NH2 3.08Å; E89-R387 PolarHBondContact OE1-NH2 2.74Å; E89-R387 IonicContact OE2-CZ 2.65Å; E89-R387 IonicContact OE2-NH1 3.27Å; E89-R387 IonicContact OE2-NH2 3.44Å; E89-R387 PolarHBondContact OE2-NH2 3.07Å; E383-R387 WeakPolarHBondContact O-CB 3.14Å; E383-R387 WeakPolarHBondContact O-CD 3.41Å; E383-R387 IonicContact OE2-NE 2.97Å; G384-R387 WeakPolarHBondContact O-CA 3.24Å; G384-R387 WeakPolarHBondContact O-CB 3.4Å; G384-R387 PolarHBondContact O-N 2.81Å; R387-S390 WeakPolarHBondContact O-CB 3.06Å; R387-S390 PolarHBondContact O-N 3.25Å; R387-Q391 VanDerWaalsContact NH2-NE2 3.18Å; R387-Q391 VanDerWaalsContact O-CG 3.3Å; R387-Q391 WeakPolarHBondContact O-CG 3.48Å; R387-Q391 PolarHBondContact O-N 2.92Å; R387-D482 IonicContact CZ-OD2 2.87Å; R387-D482 IonicContact NE-OD1 3.68Å; R387-D482 PolarHBondContact NE-OD1 2.94Å; R387-D482 IonicContact NE-OD2 3.28Å; R387-D482 PolarHBondContact NE-OD2 2.98Å; R387-D482 IonicContact NH2-OD2 3.06Å; R387-D482 PolarHBondContact NH2-OD2 3.39Å
388	A	98.6	Very high	97	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.6	-48.5	174.6	0	0	0	0	0	111.3	H90 W124 F136 F165 Y301 G384 M385 S390 Q391 H392	H90-A388 PolarHBondContact CE1-O 3.02Å; H90-A388 VanDerWaalsContact CE1-O 3.23Å; W124-A388 HydrophobicContact CZ3-CB 4.27Å; F136-A388 HydrophobicContact CE1-CB 3.93Å; F136-A388 HydrophobicContact CZ-CB 4Å; F165-A388 HydrophobicContact CE2-CB 4.23Å; F165-A388 HydrophobicContact CZ-CB 3.77Å; Y301-A388 HydrophobicContact CE1-CB 4.31Å; Y301-A388 WeakPolarHBondContact OH-CB 3.32Å; G384-A388 PolarHBondContact O-N 3.23Å; M385-A388 PolarHBondContact O-N 3.37Å; A388-S390 VanDerWaalsContact C-N 3.34Å; A388-S390 PolarHBondContact O-N 2.97Å; A388-Q391 PolarHBondContact O-N 3.15Å; A388-H392 WeakPolarHBondContact O-CB 3.43Å; A388-H392 PolarHBondContact O-N 2.98Å
389	F	98.8	Very high	97.3	Very high	1 Å²	1	26 Å²	26	0%	0.004	13%	0.126	C	C	.	.	H	α-helix	trans	-52.4	-48.8	171.9	168.2	-98.1	0	0	0	112.7	F294 F297 V298 Y301 F337 M385 Q391 H392 V393 L478 F479	F294-F389 HydrophobicContact CD1-CE1 4.25Å; F294-F389 AromaticContact CD1-CZ 3.99Å; F294-F389 HydrophobicContact CD1-CZ 3.99Å; F294-F389 HydrophobicContact CE1-CZ 4.37Å; F297-F389 HydrophobicContact CB-CE2 3.9Å; F297-F389 HydrophobicContact CB-CZ 3.9Å; V298-F389 HydrophobicContact CB-CE2 4.45Å; V298-F389 HydrophobicContact CG2-CD1 3.73Å; V298-F389 HydrophobicContact CG2-CD2 3.96Å; V298-F389 HydrophobicContact CG2-CE1 3.6Å; V298-F389 HydrophobicContact CG2-CE2 3.8Å; V298-F389 HydrophobicContact CG2-CG 3.92Å; V298-F389 HydrophobicContact CG2-CZ 3.63Å; Y301-F389 HydrophobicContact CD1-CB 3.87Å; Y301-F389 HydrophobicContact CD1-CD2 4.25Å; Y301-F389 HydrophobicContact CE1-CB 4.13Å; Y301-F389 HydrophobicContact CG-CB 4.31Å; Y301-F389 AromaticContact CG-CD2 3.92Å; Y301-F389 HydrophobicContact CG-CD2 3.92Å; F337-F389 AromaticContact CZ-CE2 3.99Å; F337-F389 HydrophobicContact CZ-CE2 3.99Å; M385-F389 WeakPolarHBondContact O-CB 3.29Å; M385-F389 PolarHBondContact O-N 2.79Å; F389-Q391 PolarHBondContact O-N 3.36Å; F389-H392 PolarHBondContact O-N 2.79Å; F389-V393 HydrophobicContact CD2-CG2 4.22Å; F389-V393 HydrophobicContact CE1-CG2 4.34Å; F389-V393 HydrophobicContact CE2-CG2 3.78Å; F389-V393 HydrophobicContact CZ-CG2 3.84Å; F389-V393 WeakPolarHBondContact O-CG2 3.3Å; F389-V393 PolarHBondContact O-N 2.03Å; F389-L478 HydrophobicContact CE1-CD1 4.23Å; F389-F479 HydrophobicContact CE1-CE1 4.21Å; F389-F479 AromaticContact CE1-CZ 3.95Å; F389-F479 HydrophobicContact CE1-CZ 3.95Å; F389-F479 HydrophobicContact CZ-CZ 4.49Å
390	S	98.8	Very high	97.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-56.8	-50.4	177.8	-177.1	0	0	0	0	111.8	F386 R387 A388 H392 V393 L394 L478	F386-S390 WeakPolarHBondContact O-CB 3.42Å; F386-S390 PolarHBondContact O-N 2.81Å; R387-S390 WeakPolarHBondContact O-CB 3.06Å; R387-S390 PolarHBondContact O-N 3.25Å; A388-S390 VanDerWaalsContact C-N 3.34Å; A388-S390 PolarHBondContact O-N 2.97Å; S390-H392 PolarHBondContact O-N 2.79Å; S390-V393 PolarHBondContact O-N 2.97Å; S390-L394 WeakPolarHBondContact O-CB 3.34Å; S390-L394 WeakPolarHBondContact O-CD1 3.22Å; S390-L394 VanDerWaalsContact O-CG 3.23Å; S390-L394 WeakPolarHBondContact O-CG 3.39Å; S390-L394 PolarHBondContact O-N 3.27Å; S390-L478 WeakPolarHBondContact CB-O 3.07Å; S390-L478 PolarHBondContact OG-O 2.76Å
391	Q	98.7	Very high	97.5	Very high	34 Å²	34	28.7 Å²	28.7	16%	0.159	14%	0.142	C	C	.	.	H	α-helix	trans	-61.4	-42.5	177.8	-70	174.7	-35.2	0	0	112.1	P87 E89 H90 R387 A388 F389 H395	P87-Q391 HydrophobicContact CB-CB 4.19Å; P87-Q391 VanDerWaalsContact CG-C 3.49Å; P87-Q391 HydrophobicContact CG-CB 3.87Å; P87-Q391 WeakPolarHBondContact CG-O 3.42Å; E89-Q391 PolarHBondContact OE2-NE2 2.64Å; H90-Q391 PolarHBondContact NE2-OE1 3.09Å; R387-Q391 VanDerWaalsContact NH2-NE2 3.18Å; R387-Q391 VanDerWaalsContact O-CG 3.3Å; R387-Q391 WeakPolarHBondContact O-CG 3.48Å; R387-Q391 PolarHBondContact O-N 2.92Å; A388-Q391 PolarHBondContact O-N 3.15Å; F389-Q391 PolarHBondContact O-N 3.36Å; Q391-H395 WeakPolarHBondContact O-CB 3.47Å; Q391-H395 PolarHBondContact O-N 3.29Å
392	H	98.6	Very high	97.5	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.009	15%	0.147	C	C	.	.	H	α-helix	trans	-58.9	-52.9	177.6	178.3	87.9	0	0	0	111.1	Y301 A336 A388 F389 S390 H395 R396	Y301-H392 HydrophobicContact CD2-CB 4.2Å; Y301-H392 AromaticContact CD2-CD2 3.98Å; Y301-H392 AromaticContact CD2-CG 3.92Å; Y301-H392 HydrophobicContact CE2-CB 3.62Å; Y301-H392 AromaticContact CE2-CG 3.57Å; Y301-H392 AromaticContact CE2-ND1 3.87Å; A336-H392 PolarHBondContact O-NE2 3.16Å; A388-H392 WeakPolarHBondContact O-CB 3.43Å; A388-H392 PolarHBondContact O-N 2.98Å; F389-H392 PolarHBondContact O-N 2.79Å; S390-H392 PolarHBondContact O-N 2.79Å; H392-H395 PolarHBondContact O-N 3.38Å; H392-R396 WeakPolarHBondContact O-CB 3.39Å; H392-R396 WeakPolarHBondContact O-CG 3.41Å; H392-R396 PolarHBondContact O-N 2.96Å
393	V	98.8	Very high	97.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.5	-50	179.4	173.1	0	0	0	0	111.2	T333 A336 F337 F389 S390 H395 R396 L397 F479	T333-V393 HydrophobicContact CG2-CG1 4.29Å; A336-V393 HydrophobicContact CB-CB 4.49Å; A336-V393 HydrophobicContact CB-CG2 4.25Å; F337-V393 HydrophobicContact CE2-CG2 4.31Å; F337-V393 HydrophobicContact CZ-CG2 4.16Å; F389-V393 HydrophobicContact CD2-CG2 4.22Å; F389-V393 HydrophobicContact CE1-CG2 4.34Å; F389-V393 HydrophobicContact CE2-CG2 3.78Å; F389-V393 HydrophobicContact CZ-CG2 3.84Å; F389-V393 WeakPolarHBondContact O-CG2 3.3Å; F389-V393 PolarHBondContact O-N 2.03Å; S390-V393 PolarHBondContact O-N 2.97Å; V393-H395 PolarHBondContact O-N 3.17Å; V393-R396 PolarHBondContact O-N 3.24Å; V393-L397 HydrophobicContact CG1-CD1 3.63Å; V393-L397 HydrophobicContact CG1-CG 4.28Å; V393-L397 WeakPolarHBondContact O-CB 3.47Å; V393-L397 VanDerWaalsContact O-CG 3.3Å; V393-L397 WeakPolarHBondContact O-CG 3.44Å; V393-L397 PolarHBondContact O-N 3.21Å; V393-F479 HydrophobicContact CB-CE1 3.98Å; V393-F479 HydrophobicContact CG1-CE1 3.84Å; V393-F479 HydrophobicContact CG1-CZ 4.26Å
394	L	98.7	Very high	97.3	Very high	9 Å²	9	27 Å²	27	5%	0.047	14%	0.141	C	C	.	.	H	α-helix	trans	-63.3	-40.6	-178.1	-69	165.4	0	0	0	112.6	S390 N398 I399 H461 F479	S390-L394 WeakPolarHBondContact O-CB 3.34Å; S390-L394 WeakPolarHBondContact O-CD1 3.22Å; S390-L394 VanDerWaalsContact O-CG 3.23Å; S390-L394 WeakPolarHBondContact O-CG 3.39Å; S390-L394 PolarHBondContact O-N 3.27Å; L394-N398 PolarHBondContact O-N 3.22Å; L394-I399 HydrophobicContact CB-CB 4.45Å; L394-I399 HydrophobicContact CD2-CB 3.67Å; L394-I399 HydrophobicContact CD2-CG1 4.1Å; L394-I399 HydrophobicContact CD2-CG2 3.67Å; L394-I399 PolarHBondContact O-N 2.92Å; L394-H461 VanDerWaalsContact CD1-CE1 3.45Å; L394-H461 WeakPolarHBondContact CD1-CE1 3.43Å; L394-H461 WeakPolarHBondContact CD1-ND1 3.34Å; L394-H461 HydrophobicContact CD2-CB 4.23Å; L394-F479 HydrophobicContact CD1-CB 4.5Å; L394-F479 HydrophobicContact CD1-CD1 4.17Å; L394-F479 HydrophobicContact CD2-CB 4.3Å; L394-F479 HydrophobicContact CD2-CD1 4.09Å; L394-F479 HydrophobicContact CG-CD1 3.93Å
395	H	98.3	Very high	97	Very high	61 Å²	61	30.5 Å²	30.5	28%	0.282	16%	0.157	S	C	.	.	H	α-helix	trans	-62.5	-48	175.4	173.1	73.5	0	0	0	111.7	S85 L86 P87 Q391 H392 V393 N398	S85-H395 PolarHBondContact OG-NE2 3.44Å; S85-H395 VanDerWaalsContact OG-NE2 3.14Å; L86-H395 VanDerWaalsContact C-CD2 3.44Å; L86-H395 PolarHBondContact N-NE2 2.72Å; L86-H395 PolarHBondContact O-NE2 3.07Å; P87-H395 HydrophobicContact CB-CB 4.48Å; P87-H395 HydrophobicContact CG-CB 3.81Å; Q391-H395 WeakPolarHBondContact O-CB 3.47Å; Q391-H395 PolarHBondContact O-N 3.29Å; H392-H395 PolarHBondContact O-N 3.38Å; V393-H395 PolarHBondContact O-N 3.17Å; H395-N398 PolarHBondContact O-N 3.11Å; H395-N398 VanDerWaalsContact O-N 3.13Å
396	R	97.4	Very high	96.4	Very high	39 Å²	39	33.7 Å²	33.7	15%	0.147	18%	0.183	C	C	.	.	H	α-helix	trans	-73.1	-31.9	-173.8	-63.4	-74.6	-81	143	0.9	113.1	S85 S312 A336 H392 V393 N398	S85-R396 WeakPolarHBondContact O-CD 3.2Å; S85-R396 WeakPolarHBondContact OG-CD 3.41Å; S85-R396 PolarHBondContact OG-NH1 3.25Å; S85-R396 VanDerWaalsContact OG-NH1 3.12Å; S312-R396 PolarHBondContact OG-NH2 3.18Å; A336-R396 HydrophobicContact CB-CB 3.94Å; H392-R396 WeakPolarHBondContact O-CB 3.39Å; H392-R396 WeakPolarHBondContact O-CG 3.41Å; H392-R396 PolarHBondContact O-N 2.96Å; V393-R396 PolarHBondContact O-N 3.24Å; R396-N398 PolarHBondContact O-N 3.27Å
397	L	98.1	Very high	95.8	Very high	14 Å²	14	36.7 Å²	36.7	7%	0.073	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	4.7	171.8	-58.6	-178.7	0	0	0	113.2	E332 Q335 A336 V393 I399 L454 L457	E332-L397 VanDerWaalsContact O-CD2 3.25Å; E332-L397 WeakPolarHBondContact O-CD2 3.25Å; Q335-L397 HydrophobicContact CB-CD2 3.81Å; A336-L397 HydrophobicContact CB-CD2 4.35Å; A336-L397 HydrophobicContact CB-CG 4.36Å; V393-L397 HydrophobicContact CG1-CD1 3.63Å; V393-L397 HydrophobicContact CG1-CG 4.28Å; V393-L397 WeakPolarHBondContact O-CB 3.47Å; V393-L397 VanDerWaalsContact O-CG 3.3Å; V393-L397 WeakPolarHBondContact O-CG 3.44Å; V393-L397 PolarHBondContact O-N 3.21Å; L397-I399 VanDerWaalsContact C-N 3.27Å; L397-I399 HydrophobicContact CB-CD1 4.45Å; L397-I399 HydrophobicContact CB-CG1 3.95Å; L397-I399 PolarHBondContact O-N 3.03Å; L397-L454 HydrophobicContact CB-CD2 4.31Å; L397-L454 HydrophobicContact CD1-CD2 3.94Å; L397-L454 HydrophobicContact CG-CD2 4.49Å; L397-L457 HydrophobicContact CD1-CD1 3.77Å
398	N	97.6	Very high	95.7	Very high	140 Å²	140	41.6 Å²	41.6	75%	0.749	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	38.2	-178.2	-61.6	-63.9	0	0	0	114.2	L394 H395 R396 P400	L394-N398 PolarHBondContact O-N 3.22Å; H395-N398 PolarHBondContact O-N 3.11Å; H395-N398 VanDerWaalsContact O-N 3.13Å; R396-N398 PolarHBondContact O-N 3.27Å; N398-P400 VanDerWaalsContact O-CD 3.3Å; N398-P400 WeakPolarHBondContact O-CD 3.36Å
399	I	98.4	Very high	95.7	Very high	19 Å²	19	41.6 Å²	41.6	10%	0.097	23%	0.233	C	C	.	.			trans	-82.1	113.7	177.9	-56.7	-59.3	0	0	0	109.5	L394 L397 L454 L457 R458 H461	L394-I399 HydrophobicContact CB-CB 4.45Å; L394-I399 HydrophobicContact CD2-CB 3.67Å; L394-I399 HydrophobicContact CD2-CG1 4.1Å; L394-I399 HydrophobicContact CD2-CG2 3.67Å; L394-I399 PolarHBondContact O-N 2.92Å; L397-I399 VanDerWaalsContact C-N 3.27Å; L397-I399 HydrophobicContact CB-CD1 4.45Å; L397-I399 HydrophobicContact CB-CG1 3.95Å; L397-I399 PolarHBondContact O-N 3.03Å; I399-L454 HydrophobicContact CD1-CB 4.23Å; I399-L454 HydrophobicContact CD1-CD2 4.36Å; I399-L457 HydrophobicContact CD1-CB 4.22Å; I399-L457 HydrophobicContact CG1-CB 4.16Å; I399-L457 HydrophobicContact CG1-CD1 4.32Å; I399-L457 HydrophobicContact CG2-CB 4.38Å; I399-R458 HydrophobicContact CG2-CB 4.33Å; I399-H461 HydrophobicContact CG2-CB 4.18Å
400	P	96.4	Very high	95.7	Very high	57 Å²	57	42.1 Å²	42.1	37%	0.37	24%	0.235	S	C	.	.			trans	-81.4	144.8	-174	32.8	-35.3	0	0	0	112.6	N398 N462	N398-P400 VanDerWaalsContact O-CD 3.3Å; N398-P400 WeakPolarHBondContact O-CD 3.36Å; P400-N462 PolarHBondContact O-ND2 3.41Å
401	Q	94.8	Very high	95.7	Very high	68 Å²	68	42.1 Å²	42.1	32%	0.318	24%	0.235	S	C	.	.			trans	-99.7	119.8	167.5	-151.1	-67.6	-61.9	0	0	108.4	G403 H461 N462	Q401-G403 VanDerWaalsContact C-N 3.27Å; Q401-G403 PolarHBondContact NE2-O 3.46Å; Q401-G403 PolarHBondContact O-N 2.64Å; Q401-H461 VanDerWaalsContact CB-NE2 3.34Å; Q401-H461 WeakPolarHBondContact CB-NE2 3.46Å; Q401-H461 VanDerWaalsContact CG-NE2 3.27Å; Q401-H461 WeakPolarHBondContact CG-NE2 3.03Å; Q401-N462 PolarHBondContact NE2-OD1 3.13Å
402	N	94.4	Very high	95.7	Very high	82 Å²	82	40.8 Å²	40.8	44%	0.439	23%	0.229	S	C	.	.			trans	-91.8	36.1	-174	-53	-47.7	0	0	0	112.7	N462	N402-N462 VanDerWaalsContact CB-OD1 3.31Å; N402-N462 WeakPolarHBondContact CB-OD1 3.42Å; N402-N462 PolarHBondContact N-OD1 2.65Å; N402-N462 VanDerWaalsContact ND2-CG 3.27Å; N402-N462 PolarHBondContact ND2-ND2 2.88Å; N402-N462 PolarHBondContact ND2-OD1 2.7Å
403	G	93.1	Very high	95.7	Very high	15 Å²	15	40.7 Å²	40.7	16%	0.155	23%	0.228	C	C	.	.			trans	64.1	178.3	-173.3	0	0	0	0	0	114.6	Q401 R410	Q401-G403 VanDerWaalsContact C-N 3.27Å; Q401-G403 PolarHBondContact NE2-O 3.46Å; Q401-G403 PolarHBondContact O-N 2.64Å; G403-R410 PolarHBondContact O-NH1 3.14Å; G403-R410 VanDerWaalsContact O-NH1 3.13Å; G403-R410 PolarHBondContact O-NH2 3.16Å
404	P	93.4	Very high	95.6	Very high	8 Å²	8	41.2 Å²	41.2	5%	0.052	23%	0.231	C	C	.	.			trans	-57.1	160.9	145.8	-28.6	41.9	0	0	0	112.8	W483 W562 I566	P404-W483 HydrophobicContact CG-CH2 3.89Å; P404-W483 HydrophobicContact CG-CZ2 4.11Å; P404-W483 HydrophobicContact CG-CZ3 4.22Å; P404-W562 VanDerWaalsContact CA-CZ3 3.45Å; P404-W562 HydrophobicContact CB-CD2 3.6Å; P404-W562 HydrophobicContact CB-CE3 3.48Å; P404-W562 VanDerWaalsContact CB-CE3 3.48Å; P404-W562 HydrophobicContact CB-CG 4.25Å; P404-W562 HydrophobicContact CB-CH2 3.9Å; P404-W562 HydrophobicContact CB-CZ2 3.99Å; P404-W562 HydrophobicContact CB-CZ3 3.62Å; P404-W562 HydrophobicContact CG-CD2 4.02Å; P404-W562 HydrophobicContact CG-CE3 3.73Å; P404-W562 HydrophobicContact CG-CG 4.38Å; P404-W562 HydrophobicContact CG-CZ3 4.21Å; P404-W562 WeakPolarHBondContact CG-O 3.44Å; P404-I566 HydrophobicContact CB-CD1 3.58Å; P404-I566 HydrophobicContact CB-CG1 3.97Å
405	K	90.3	Very high	95.4	Very high	73 Å²	73	41.3 Å²	41.3	32%	0.317	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-111.9	127.7	171.4	-76.7	-173.2	169.1	-177.3	0	110.9	G407 R408 R410 E440	K405-G407 PolarHBondContact O-N 3.09Å; K405-R408 HydrophobicContact CB-CB 3.96Å; K405-R408 PolarHBondContact O-N 2.98Å; K405-R408 VanDerWaalsContact O-O 3.05Å; K405-R410 HydrophobicContact CD-CG 4.07Å; K405-E440 WeakPolarHBondContact CD-OE2 3.22Å; K405-E440 IonicContact NZ-OE1 3.7Å; K405-E440 PolarHBondContact NZ-OE1 2.93Å; K405-E440 IonicContact NZ-OE2 3.73Å; K405-E440 PolarHBondContact NZ-OE2 3.05Å
406	A	85.2	Confident	95.1	Very high	68 Å²	68	40.5 Å²	40.5	56%	0.562	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	124.4	177.1	0	0	0	0	0	111.3	R408 I566	A406-R408 PolarHBondContact O-N 3.21Å; A406-R408 VanDerWaalsContact O-N 3.16Å; A406-I566 HydrophobicContact CB-CD1 4.19Å
407	G	86.3	Confident	94.6	Very high	63 Å²	63	41.6 Å²	41.6	65%	0.649	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.4	14.2	179.7	0	0	0	0	0	116	K405 L438	K405-G407 PolarHBondContact O-N 3.09Å; G407-L438 WeakPolarHBondContact O-CD1 2.98Å
408	R	95.1	Very high	94.1	Very high	120 Å²	120	44 Å²	44	45%	0.453	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	-139.4	137.2	-178.7	-63	-65.5	-176.2	152	9	112.5	K405 A406 P437 L438 W562	K405-R408 HydrophobicContact CB-CB 3.96Å; K405-R408 PolarHBondContact O-N 2.98Å; K405-R408 VanDerWaalsContact O-O 3.05Å; A406-R408 PolarHBondContact O-N 3.21Å; A406-R408 VanDerWaalsContact O-N 3.16Å; R408-P437 PolarHBondContact NH1-O 3.09Å; R408-L438 CarbonylContact C-O 3.56Å; R408-L438 WeakPolarHBondContact CA-O 3.24Å; R408-W562 WeakPolarHBondContact O-CH2 3.38Å; R408-W562 VanDerWaalsContact O-CZ2 3.28Å; R408-W562 WeakPolarHBondContact O-CZ2 3.1Å
409	V	98.1	Very high	93.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	120.4	171.9	176.8	0	0	0	0	108.4	V411 L438 L439 E440 D464 I465 A553 V556 T557	V409-V411 HydrophobicContact CG1-CG2 4.45Å; V409-V411 PolarHBondContact O-N 2.95Å; V409-L438 HydrophobicContact CG2-CD1 4.17Å; V409-L438 HydrophobicContact CG2-CD2 4.31Å; V409-L438 HydrophobicContact CG2-CG 4.05Å; V409-L438 PolarHBondContact N-O 2.99Å; V409-L439 HydrophobicContact CB-CD2 4.12Å; V409-L439 HydrophobicContact CG1-CD2 4.44Å; V409-L439 WeakPolarHBondContact O-CA 3.36Å; V409-E440 PolarHBondContact O-N 2.77Å; V409-D464 HydrophobicContact CG1-CB 3.99Å; V409-I465 HydrophobicContact CG1-CD1 3.85Å; V409-I465 HydrophobicContact CG1-CG1 3.92Å; V409-A553 HydrophobicContact CG1-CB 4.34Å; V409-A553 HydrophobicContact CG2-CB 4.38Å; V409-V556 HydrophobicContact CG1-CG1 4.33Å; V409-V556 HydrophobicContact CG2-CG1 4.39Å; V409-T557 HydrophobicContact CG2-CG2 3.67Å
410	R	98.6	Very high	93.3	Very high	13 Å²	13	44.5 Å²	44.5	5%	0.049	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	116.7	-179.5	-61.4	164.4	-66.8	-159.7	-1	109.7	G403 K405 E440 N462 D464 I465	G403-R410 PolarHBondContact O-NH1 3.14Å; G403-R410 VanDerWaalsContact O-NH1 3.13Å; G403-R410 PolarHBondContact O-NH2 3.16Å; K405-R410 HydrophobicContact CD-CG 4.07Å; R410-E440 WeakPolarHBondContact CA-O 3.45Å; R410-E440 HydrophobicContact CG-CB 4.39Å; R410-N462 WeakPolarHBondContact CD-O 3.46Å; R410-N462 PolarHBondContact NE-O 3.25Å; R410-N462 VanDerWaalsContact NE-O 3.09Å; R410-D464 VanDerWaalsContact CB-OD2 3.24Å; R410-D464 WeakPolarHBondContact CB-OD2 3.49Å; R410-D464 WeakPolarHBondContact CG-OD2 3.43Å; R410-D464 IonicContact CZ-OD1 2.67Å; R410-D464 IonicContact CZ-OD2 2.76Å; R410-D464 PolarHBondContact N-OD2 3.28Å; R410-D464 IonicContact NE-OD1 3.79Å; R410-D464 PolarHBondContact NE-OD1 2.87Å; R410-D464 IonicContact NE-OD2 3.66Å; R410-D464 PolarHBondContact NE-OD2 2.98Å; R410-D464 IonicContact NH2-OD1 2.69Å; R410-D464 PolarHBondContact NH2-OD1 3.43Å; R410-D464 IonicContact NH2-OD2 2.71Å; R410-D464 PolarHBondContact NH2-OD2 2.75Å; R410-D464 PolarHBondContact O-N 3.49Å; R410-I465 PolarHBondContact O-N 3.31Å
411	V	98.8	Very high	93.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	117.1	179.6	-173.9	0	0	0	0	108.8	V409 L433 L439 E440 V441 S442 I465 I467	V409-V411 HydrophobicContact CG1-CG2 4.45Å; V409-V411 PolarHBondContact O-N 2.95Å; V411-L433 HydrophobicContact CG1-CD1 4.06Å; V411-L439 HydrophobicContact CG2-CB 4.08Å; V411-L439 HydrophobicContact CG2-CD1 4.3Å; V411-L439 HydrophobicContact CG2-CD2 3.85Å; V411-L439 HydrophobicContact CG2-CG 4.27Å; V411-E440 PolarHBondContact N-O 3.07Å; V411-V441 CarbonylContact O-C 3.55Å; V411-V441 WeakPolarHBondContact O-CA 3.21Å; V411-S442 PolarHBondContact O-N 3.49Å; V411-I465 WeakPolarHBondContact CA-O 3.17Å; V411-I465 HydrophobicContact CG1-CB 4.33Å; V411-I465 HydrophobicContact CG2-CB 4.27Å; V411-I465 HydrophobicContact CG2-CD1 4.11Å; V411-I467 HydrophobicContact CG1-CD1 3.56Å; V411-I467 HydrophobicContact CG1-CG1 4.2Å
412	T	98.8	Very high	93.2	Very high	5 Å²	5	45 Å²	45	3%	0.031	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	117	-179.9	-62.3	0	0	0	0	109.4	S442 V444 S463 I465 F466 I467	T412-S442 PolarHBondContact OG1-OG 3.33Å; T412-V444 HydrophobicContact CG2-CG1 4.13Å; T412-V444 HydrophobicContact CG2-CG2 3.64Å; T412-S463 VanDerWaalsContact CB-OG 3.24Å; T412-S463 WeakPolarHBondContact CB-OG 3.28Å; T412-S463 PolarHBondContact OG1-OG 2.78Å; T412-I465 PolarHBondContact N-O 3.15Å; T412-F466 HydrophobicContact CG2-CD2 3.88Å; T412-F466 HydrophobicContact CG2-CE2 3.72Å; T412-F466 WeakPolarHBondContact O-CA 3.4Å; T412-I467 PolarHBondContact O-N 2.98Å
413	L	98.6	Very high	93.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	116.1	174.7	-174.2	149	0	0	0	109.8	A415 I423 Q426 V430 S442 V443 V444 I467	L413-A415 PolarHBondContact O-N 2.91Å; L413-I423 HydrophobicContact CD2-CD1 4.04Å; L413-Q426 HydrophobicContact CD2-CG 3.86Å; L413-V430 HydrophobicContact CD1-CG2 4.09Å; L413-S442 PolarHBondContact N-O 3.06Å; L413-V443 HydrophobicContact CB-CG2 4.47Å; L413-V443 HydrophobicContact CD2-CG1 4.13Å; L413-V443 WeakPolarHBondContact O-CA 3.46Å; L413-V444 PolarHBondContact O-N 3.46Å; L413-I467 WeakPolarHBondContact CA-O 3.14Å; L413-I467 HydrophobicContact CD1-CG2 4.45Å
414	L	97.9	Very high	93.5	Very high	11 Å²	11	48.1 Å²	48.1	6%	0.058	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	99.6	172.8	-179.4	63.7	0	0	0	109.6	V444 Y446 F466 I467	L414-V444 CarbonylContact C-O 3.36Å; L414-V444 HydrophobicContact CD1-CG2 4.06Å; L414-Y446 HydrophobicContact CD1-CD2 3.85Å; L414-Y446 HydrophobicContact CD1-CE2 4.45Å; L414-Y446 HydrophobicContact CD1-CG 3.89Å; L414-F466 HydrophobicContact CB-CE1 3.96Å; L414-F466 HydrophobicContact CB-CZ 3.95Å; L414-F466 HydrophobicContact CD2-CE1 4.06Å; L414-F466 HydrophobicContact CD2-CZ 4.22Å; L414-F466 HydrophobicContact CG-CZ 4.49Å; L414-I467 PolarHBondContact N-O 2.98Å
415	A	95.1	Very high	93.7	Very high	12 Å²	12	48.9 Å²	48.9	10%	0.099	25%	0.249	C	C	.	.			trans	-68.1	164.9	168.6	0	0	0	0	0	110.7	L413 V443 V444 D445	L413-A415 PolarHBondContact O-N 2.91Å; A415-V443 HydrophobicContact CB-CG1 3.89Å; A415-V444 WeakPolarHBondContact CB-O 3.44Å; A415-V444 PolarHBondContact N-O 2.87Å; A415-D445 HydrophobicContact CB-CB 4.43Å
416	R	90.6	Very high	94.1	Very high	43 Å²	43	47.8 Å²	47.8	16%	0.162	25%	0.245	C	C	.	.			trans	-139.6	122.1	-178.4	-66.3	179.9	62.6	126.2	0.7	112	T418 R421 M469 H470	R416-T418 PolarHBondContact NE-OG1 3.28Å; R416-T418 PolarHBondContact NH2-OG1 2.8Å; R416-R421 WeakPolarHBondContact CD-O 3.42Å; R416-M469 PolarHBondContact NH1-O 2.79Å; R416-H470 PolarHBondContact NH1-O 3.24Å
417	S	87.3	Confident	94.7	Very high	62 Å²	62	50 Å²	50	43%	0.434	25%	0.252	S	S	.	.			trans	-96.7	19.3	170.2	-67.5	0	0	0	0	114.1	D445 K447	S417-D445 WeakPolarHBondContact CB-OD2 3.25Å; S417-D445 PolarHBondContact OG-OD2 3.37Å; S417-K447 WeakPolarHBondContact OG-CE 3.35Å; S417-K447 PolarHBondContact OG-NZ 3.19Å
418	T	87.4	Confident	95.3	Very high	64 Å²	64	52 Å²	52	39%	0.393	24%	0.244	S	C	.	.	S	Bend	trans	-72.8	162.8	170.4	50.2	0	0	0	0	111.3	R416 Y420 R422	R416-T418 PolarHBondContact NE-OG1 3.28Å; R416-T418 PolarHBondContact NH2-OG1 2.8Å; T418-Y420 VanDerWaalsContact C-N 3.34Å; T418-Y420 PolarHBondContact O-N 2.97Å; T418-Y420 PolarHBondContact OG1-O 2.91Å; T418-R422 VanDerWaalsContact O-CZ 3.26Å; T418-R422 PolarHBondContact O-NE 2.82Å; T418-R422 PolarHBondContact O-NH2 3.02Å
419	E	88	Confident	95.4	Very high	115 Å²	115	46.2 Å²	46.2	54%	0.537	22%	0.222	S	C	.	.	S	Bend	trans	-60.1	-43.3	176.8	-171.5	-178.8	168.2	0	0	112.5	N537	E419-N537 PolarHBondContact O-ND2 2.57Å; E419-N537 PolarHBondContact O-OD1 3.27Å
420	Y	91.9	Very high	95.5	Very high	56 Å²	56	46.9 Å²	46.9	22%	0.22	23%	0.226	C	C	.	.	S	Bend	trans	-112.3	168.5	-177.7	-53.7	-73.8	0	0	0	112.6	T418 R422 F535 N537	T418-Y420 VanDerWaalsContact C-N 3.34Å; T418-Y420 PolarHBondContact O-N 2.97Å; T418-Y420 PolarHBondContact OG1-O 2.91Å; Y420-R422 PolarHBondContact O-N 3.02Å; Y420-F535 HydrophobicContact CD1-CB 4.23Å; Y420-F535 WeakPolarHBondContact CD1-O 3.39Å; Y420-F535 AromaticContact CD2-CD1 3.69Å; Y420-F535 HydrophobicContact CD2-CD1 3.69Å; Y420-F535 HydrophobicContact CD2-CE1 4.31Å; Y420-F535 HydrophobicContact CE1-CB 4.31Å; Y420-F535 WeakPolarHBondContact CE1-O 3.1Å; Y420-F535 AromaticContact CE2-CD1 3.72Å; Y420-F535 HydrophobicContact CE2-CD1 3.72Å; Y420-F535 HydrophobicContact CE2-CE1 4.4Å; Y420-F535 HydrophobicContact CG-CB 4.38Å; Y420-F535 HydrophobicContact CG-CD1 4.22Å; Y420-N537 VanDerWaalsContact C-OD1 3.28Å; Y420-N537 WeakPolarHBondContact CA-OD1 3.36Å
421	R	93.4	Very high	95.5	Very high	20 Å²	20	49.4 Å²	49.4	8%	0.075	25%	0.246	C	C	.	.	S	Bend	trans	59.6	29.1	179.9	-52.9	-170.1	-68.8	-76.3	13	113.8	R416 M469 H470 C492 K534 T536 N537	R416-R421 WeakPolarHBondContact CD-O 3.42Å; R421-M469 HydrophobicContact CB-CE 4.11Å; R421-M469 WeakPolarHBondContact O-CB 3.37Å; R421-M469 WeakPolarHBondContact O-CG 3.33Å; R421-H470 PolarHBondContact NE-O 2.77Å; R421-C492 VanDerWaalsContact CD-SG 3.54Å; R421-K534 WeakPolarHBondContact CG-O 3.45Å; R421-K534 PolarHBondContact NH1-O 2.93Å; R421-T536 WeakPolarHBondContact CA-O 3.17Å; R421-T536 PolarHBondContact N-O 2.89Å; R421-N537 PolarHBondContact N-OD1 3.03Å
422	R	95.3	Very high	95.4	Very high	116 Å²	116	50.3 Å²	50.3	44%	0.438	25%	0.253	S	S	.	.			trans	-72	148.3	169.2	-60.2	-172.1	177.4	169.1	5.3	111.1	T418 Y420 N537 Y538	T418-R422 VanDerWaalsContact O-CZ 3.26Å; T418-R422 PolarHBondContact O-NE 2.82Å; T418-R422 PolarHBondContact O-NH2 3.02Å; Y420-R422 PolarHBondContact O-N 3.02Å; R422-N537 HydrophobicContact CB-CB 4.34Å; R422-N537 WeakPolarHBondContact CB-OD1 3.28Å; R422-N537 PolarHBondContact N-OD1 2.83Å; R422-Y538 PolarHBondContact O-N 2.97Å
423	I	96.9	Very high	95.4	Very high	12 Å²	12	50 Å²	50	6%	0.062	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-88.6	102.6	171.8	-54.9	164.1	0	0	0	107.3	L413 Q426 L429 M469 L489 Y538 F540	L413-I423 HydrophobicContact CD2-CD1 4.04Å; I423-Q426 HydrophobicContact CB-CB 4.1Å; I423-Q426 HydrophobicContact CG2-CB 3.89Å; I423-Q426 HydrophobicContact CG2-CG 4.48Å; I423-Q426 WeakPolarHBondContact O-CB 3.49Å; I423-Q426 PolarHBondContact O-N 3.3Å; I423-L429 HydrophobicContact CG2-CD1 3.75Å; I423-M469 HydrophobicContact CD1-CG 4.19Å; I423-M469 HydrophobicContact CG1-CG 3.61Å; I423-L489 HydrophobicContact CD1-CD1 3.46Å; I423-L489 VanDerWaalsContact CD1-CD1 3.46Å; I423-L489 HydrophobicContact CG1-CD1 3.94Å; I423-Y538 CarbonylContact C-O 3.47Å; I423-Y538 WeakPolarHBondContact CA-O 3.2Å; I423-F540 HydrophobicContact CG1-CE2 4.39Å; I423-F540 HydrophobicContact CG2-CD2 4.04Å; I423-F540 HydrophobicContact CG2-CE2 4.24Å
424	R	97.4	Very high	95.4	Very high	150 Å²	150	56.8 Å²	56.8	57%	0.566	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-39.1	-172.3	-67.8	-174.3	69.2	-147.2	1.5	112.9	N537 Y538 S539	R424-N537 HydrophobicContact CG-CB 3.96Å; R424-Y538 PolarHBondContact N-O 3.06Å; R424-S539 WeakPolarHBondContact CB-OG 3.34Å
425	N	97.6	Very high	95.4	Very high	24 Å²	24	61.4 Å²	61.4	13%	0.128	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	31.6	177	69.6	-35.8	0	0	0	113.4	V427 E428 L429 S539 F540	N425-V427 PolarHBondContact O-N 3.15Å; N425-V427 VanDerWaalsContact O-N 3.13Å; N425-E428 HydrophobicContact CB-CB 4.17Å; N425-E428 WeakPolarHBondContact CB-OE2 3.41Å; N425-E428 PolarHBondContact ND2-OE2 2.79Å; N425-E428 VanDerWaalsContact O-CB 3.3Å; N425-E428 WeakPolarHBondContact O-CB 3.4Å; N425-E428 PolarHBondContact O-N 2.8Å; N425-L429 PolarHBondContact O-N 2.73Å; N425-S539 WeakPolarHBondContact OD1-CA 3.32Å; N425-F540 PolarHBondContact ND2-O 3.03Å; N425-F540 PolarHBondContact OD1-N 2.86Å
426	Q	97.8	Very high	95.6	Very high	50 Å²	50	62.2 Å²	62.2	23%	0.234	31%	0.313	C	S	.	.	H	α-helix	trans	-52.6	-39	-178.2	-171.4	-177.7	-74.1	0	0	113.4	L413 I423 E428 L429 V430	L413-Q426 HydrophobicContact CD2-CG 3.86Å; I423-Q426 HydrophobicContact CB-CB 4.1Å; I423-Q426 HydrophobicContact CG2-CB 3.89Å; I423-Q426 HydrophobicContact CG2-CG 4.48Å; I423-Q426 WeakPolarHBondContact O-CB 3.49Å; I423-Q426 PolarHBondContact O-N 3.3Å; Q426-E428 VanDerWaalsContact C-N 3.29Å; Q426-E428 PolarHBondContact O-N 2.88Å; Q426-L429 PolarHBondContact O-N 3.17Å; Q426-V430 HydrophobicContact CG-CG2 4.21Å; Q426-V430 WeakPolarHBondContact O-CB 3.44Å; Q426-V430 VanDerWaalsContact O-CG2 3.24Å; Q426-V430 WeakPolarHBondContact O-CG2 3.43Å; Q426-V430 PolarHBondContact O-N 3.44Å
427	V	97.9	Very high	95.8	Very high	115 Å²	115	65.3 Å²	65.3	70%	0.697	34%	0.339	S	S	*	.	H	α-helix	trans	-62.5	-37.8	179.2	178.2	0	0	0	0	111.5	N425 S431	N425-V427 PolarHBondContact O-N 3.15Å; N425-V427 VanDerWaalsContact O-N 3.13Å; V427-S431 VanDerWaalsContact O-CB 3.27Å; V427-S431 WeakPolarHBondContact O-CB 3.28Å; V427-S431 PolarHBondContact O-N 2.92Å; V427-S431 PolarHBondContact O-OG 2.75Å
428	E	98.3	Very high	96.3	Very high	103 Å²	103	65.2 Å²	65.2	48%	0.481	33%	0.333	S	S	.	.	H	α-helix	trans	-68.1	-51.2	178.6	-169	-178.1	-156.2	0	0	110.6	N425 Q426 V430 S431 A432 V542	N425-E428 HydrophobicContact CB-CB 4.17Å; N425-E428 WeakPolarHBondContact CB-OE2 3.41Å; N425-E428 PolarHBondContact ND2-OE2 2.79Å; N425-E428 VanDerWaalsContact O-CB 3.3Å; N425-E428 WeakPolarHBondContact O-CB 3.4Å; N425-E428 PolarHBondContact O-N 2.8Å; Q426-E428 VanDerWaalsContact C-N 3.29Å; Q426-E428 PolarHBondContact O-N 2.88Å; E428-V430 PolarHBondContact O-N 2.69Å; E428-S431 PolarHBondContact O-N 2.96Å; E428-A432 PolarHBondContact O-N 3.09Å; E428-V542 HydrophobicContact CG-CG2 3.6Å; E428-V542 WeakPolarHBondContact OE1-CG2 3.31Å
429	L	98.4	Very high	96.8	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-58.3	-46.3	177.4	-55.5	-179.7	0	0	0	111.8	I423 N425 Q426 S431 A432 L433 F540 V542 F545	I423-L429 HydrophobicContact CG2-CD1 3.75Å; N425-L429 PolarHBondContact O-N 2.73Å; Q426-L429 PolarHBondContact O-N 3.17Å; L429-S431 VanDerWaalsContact C-N 3.34Å; L429-S431 PolarHBondContact O-N 2.89Å; L429-A432 PolarHBondContact O-N 2.94Å; L429-L433 WeakPolarHBondContact O-CG 3.37Å; L429-L433 PolarHBondContact O-N 2.72Å; L429-F540 HydrophobicContact CD1-CB 4.07Å; L429-F540 HydrophobicContact CD1-CD2 4.21Å; L429-F540 HydrophobicContact CD2-CB 4.31Å; L429-V542 HydrophobicContact CD2-CG2 4.23Å; L429-F545 HydrophobicContact CB-CD1 4.13Å; L429-F545 HydrophobicContact CB-CE1 3.82Å; L429-F545 HydrophobicContact CB-CZ 4.21Å; L429-F545 HydrophobicContact CD2-CB 4.14Å; L429-F545 HydrophobicContact CD2-CD1 3.8Å; L429-F545 HydrophobicContact CD2-CE1 4.37Å; L429-F545 HydrophobicContact CD2-CG 3.92Å; L429-F545 HydrophobicContact CG-CD1 4.43Å
430	V	98.4	Very high	97.3	Very high	14 Å²	14	61 Å²	61	9%	0.085	31%	0.309	C	S	.	.	H	α-helix	trans	-67.2	-34.8	178.8	171.4	0	0	0	0	111.8	L413 Q426 E428 K434 V441 V443	L413-V430 HydrophobicContact CD1-CG2 4.09Å; Q426-V430 HydrophobicContact CG-CG2 4.21Å; Q426-V430 WeakPolarHBondContact O-CB 3.44Å; Q426-V430 VanDerWaalsContact O-CG2 3.24Å; Q426-V430 WeakPolarHBondContact O-CG2 3.43Å; Q426-V430 PolarHBondContact O-N 3.44Å; E428-V430 PolarHBondContact O-N 2.69Å; V430-K434 HydrophobicContact CG1-CD 4.29Å; V430-K434 WeakPolarHBondContact O-CG 3.42Å; V430-K434 PolarHBondContact O-N 2.66Å; V430-V441 HydrophobicContact CG1-CG1 4.33Å; V430-V443 HydrophobicContact CG1-CG2 4.01Å; V430-V443 HydrophobicContact CG2-CG2 3.63Å
431	S	98.5	Very high	97.6	Very high	66 Å²	66	59.7 Å²	59.7	46%	0.462	31%	0.307	S	S	.	.	H	α-helix	trans	-66.7	-42.4	174.6	-60.1	0	0	0	0	111	V427 E428 L429 K434 T435	V427-S431 VanDerWaalsContact O-CB 3.27Å; V427-S431 WeakPolarHBondContact O-CB 3.28Å; V427-S431 PolarHBondContact O-N 2.92Å; V427-S431 PolarHBondContact O-OG 2.75Å; E428-S431 PolarHBondContact O-N 2.96Å; L429-S431 VanDerWaalsContact C-N 3.34Å; L429-S431 PolarHBondContact O-N 2.89Å; S431-K434 PolarHBondContact O-N 3.29Å; S431-T435 WeakPolarHBondContact O-CG2 3.37Å; S431-T435 PolarHBondContact O-N 3.17Å
432	A	98.6	Very high	97.8	Very high	18 Å²	18	60.8 Å²	60.8	15%	0.149	32%	0.318	C	S	.	.	H	α-helix	trans	-61.2	-45.4	175.5	0	0	0	0	0	112.1	E428 L429 K434 T435 V542 M546	E428-A432 PolarHBondContact O-N 3.09Å; L429-A432 PolarHBondContact O-N 2.94Å; A432-K434 VanDerWaalsContact C-N 3.29Å; A432-K434 PolarHBondContact O-N 3.22Å; A432-T435 WeakPolarHBondContact O-CB 3.28Å; A432-T435 PolarHBondContact O-N 2.84Å; A432-T435 VanDerWaalsContact O-N 3.09Å; A432-T435 PolarHBondContact O-OG1 3.49Å; A432-V542 HydrophobicContact CB-CG1 3.56Å; A432-M546 VanDerWaalsContact C-SD 3.57Å; A432-M546 HydrophobicContact CB-CG 3.83Å; A432-M546 HydrophobicContact CB-SD 3.66Å; A432-M546 WeakPolarHBondContact O-CE 3.41Å
433	L	98.6	Very high	97.9	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-55.8	-43.6	175.2	-68.5	175.2	0	0	0	112	V411 L429 T435 V436 L439 V441 I467 F545 M546 V549	V411-L433 HydrophobicContact CG1-CD1 4.06Å; L429-L433 WeakPolarHBondContact O-CG 3.37Å; L429-L433 PolarHBondContact O-N 2.72Å; L433-T435 PolarHBondContact O-N 2.79Å; L433-V436 PolarHBondContact O-N 2.97Å; L433-V436 VanDerWaalsContact O-N 3.17Å; L433-L439 HydrophobicContact CD2-CD1 3.97Å; L433-V441 HydrophobicContact CB-CB 4.47Å; L433-V441 HydrophobicContact CB-CG1 4.04Å; L433-V441 HydrophobicContact CB-CG2 3.59Å; L433-V441 HydrophobicContact CD1-CG1 3.76Å; L433-I467 HydrophobicContact CD1-CD1 4.48Å; L433-F545 HydrophobicContact CD1-CE1 4.2Å; L433-F545 HydrophobicContact CD1-CZ 4.09Å; L433-F545 HydrophobicContact CD2-CE1 3.74Å; L433-F545 HydrophobicContact CD2-CZ 4.06Å; L433-F545 HydrophobicContact CG-CE1 3.8Å; L433-F545 HydrophobicContact CG-CZ 4.17Å; L433-M546 HydrophobicContact CD2-CE 4.49Å; L433-M546 HydrophobicContact CD2-SD 3.85Å; L433-M546 HydrophobicContact CG-SD 4.3Å; L433-V549 HydrophobicContact CD2-CB 4.15Å; L433-V549 HydrophobicContact CD2-CG1 3.65Å; L433-V549 HydrophobicContact CD2-CG2 4.18Å
434	K	98.2	Very high	97.9	Very high	142 Å²	142	58.6 Å²	58.6	62%	0.617	32%	0.317	S	S	*	.	H	α-helix	trans	-68.7	-11.7	-178.5	-73.2	175.5	178.5	-176.4	0	114	V430 S431 A432 V436 V441	V430-K434 HydrophobicContact CG1-CD 4.29Å; V430-K434 WeakPolarHBondContact O-CG 3.42Å; V430-K434 PolarHBondContact O-N 2.66Å; S431-K434 PolarHBondContact O-N 3.29Å; A432-K434 VanDerWaalsContact C-N 3.29Å; A432-K434 PolarHBondContact O-N 3.22Å; K434-V436 VanDerWaalsContact C-N 3.27Å; K434-V441 HydrophobicContact CG-CB 4.07Å; K434-V441 HydrophobicContact CG-CG2 4.07Å
435	T	98.1	Very high	97.8	Very high	107 Å²	107	53.4 Å²	53.4	66%	0.656	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-19.3	172.5	69.9	0	0	0	0	113	S431 A432 L433 P437	S431-T435 WeakPolarHBondContact O-CG2 3.37Å; S431-T435 PolarHBondContact O-N 3.17Å; A432-T435 WeakPolarHBondContact O-CB 3.28Å; A432-T435 PolarHBondContact O-N 2.84Å; A432-T435 VanDerWaalsContact O-N 3.09Å; A432-T435 PolarHBondContact O-OG1 3.49Å; L433-T435 PolarHBondContact O-N 2.79Å; T435-P437 WeakPolarHBondContact O-CD 3.47Å
436	V	98.1	Very high	97.6	Very high	29 Å²	29	53.7 Å²	53.7	18%	0.176	30%	0.3	C	S	.	.	S	Bend	trans	-94	112.2	-175.9	-176.7	0	0	0	0	110.1	L433 K434 L438 L439 M546 L550	L433-V436 PolarHBondContact O-N 2.97Å; L433-V436 VanDerWaalsContact O-N 3.17Å; K434-V436 VanDerWaalsContact C-N 3.27Å; V436-L438 HydrophobicContact CG1-CB 4.17Å; V436-L438 PolarHBondContact O-N 2.87Å; V436-L438 VanDerWaalsContact O-N 3.09Å; V436-L439 HydrophobicContact CB-CD1 3.91Å; V436-L439 HydrophobicContact CB-CG 3.91Å; V436-L439 HydrophobicContact CG1-CD1 4.18Å; V436-L439 HydrophobicContact CG1-CG 3.86Å; V436-L439 HydrophobicContact CG2-CD1 4.34Å; V436-L439 PolarHBondContact O-N 2.73Å; V436-M546 HydrophobicContact CG2-CE 3.49Å; V436-M546 VanDerWaalsContact CG2-CE 3.49Å; V436-L550 HydrophobicContact CG1-CD2 4.04Å; V436-L550 HydrophobicContact CG2-CD2 4.31Å
437	P	96.1	Very high	97	Very high	108 Å²	108	55.1 Å²	55.1	70%	0.701	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.8	-173.8	-25.6	35.9	0	0	0	114.9	R408 T435 L439	R408-P437 PolarHBondContact NH1-O 3.09Å; T435-P437 WeakPolarHBondContact O-CD 3.47Å; P437-L439 VanDerWaalsContact C-N 3.26Å; P437-L439 PolarHBondContact O-N 2.74Å
438	L	96.7	Very high	96	Very high	61 Å²	61	54 Å²	54	32%	0.319	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-26	176.1	-178.7	61.4	0	0	0	112.8	G407 R408 V409 V436 A553	G407-L438 WeakPolarHBondContact O-CD1 2.98Å; R408-L438 CarbonylContact C-O 3.56Å; R408-L438 WeakPolarHBondContact CA-O 3.24Å; V409-L438 HydrophobicContact CG2-CD1 4.17Å; V409-L438 HydrophobicContact CG2-CD2 4.31Å; V409-L438 HydrophobicContact CG2-CG 4.05Å; V409-L438 PolarHBondContact N-O 2.99Å; V436-L438 HydrophobicContact CG1-CB 4.17Å; V436-L438 PolarHBondContact O-N 2.87Å; V436-L438 VanDerWaalsContact O-N 3.09Å; L438-A553 HydrophobicContact CD2-CB 4.41Å
439	L	98.3	Very high	95.2	Very high	10 Å²	10	58.6 Å²	58.6	5%	0.052	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	126.5	-169.3	-53.2	-175.5	0	0	0	111.7	V409 V411 L433 V436 P437 V441 V549 A553	V409-L439 HydrophobicContact CB-CD2 4.12Å; V409-L439 HydrophobicContact CG1-CD2 4.44Å; V409-L439 WeakPolarHBondContact O-CA 3.36Å; V411-L439 HydrophobicContact CG2-CB 4.08Å; V411-L439 HydrophobicContact CG2-CD1 4.3Å; V411-L439 HydrophobicContact CG2-CD2 3.85Å; V411-L439 HydrophobicContact CG2-CG 4.27Å; L433-L439 HydrophobicContact CD2-CD1 3.97Å; V436-L439 HydrophobicContact CB-CD1 3.91Å; V436-L439 HydrophobicContact CB-CG 3.91Å; V436-L439 HydrophobicContact CG1-CD1 4.18Å; V436-L439 HydrophobicContact CG1-CG 3.86Å; V436-L439 HydrophobicContact CG2-CD1 4.34Å; V436-L439 PolarHBondContact O-N 2.73Å; P437-L439 VanDerWaalsContact C-N 3.26Å; P437-L439 PolarHBondContact O-N 2.74Å; L439-V441 HydrophobicContact CB-CG2 4.01Å; L439-V549 HydrophobicContact CD1-CG1 4.11Å; L439-A553 HydrophobicContact CD2-CB 4.09Å
440	E	98.1	Very high	94.7	Very high	80 Å²	80	63.5 Å²	63.5	37%	0.374	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	99.1	169.5	-174.7	-177.9	132.1	0	0	108.2	K405 V409 R410 V411	K405-E440 WeakPolarHBondContact CD-OE2 3.22Å; K405-E440 IonicContact NZ-OE1 3.7Å; K405-E440 PolarHBondContact NZ-OE1 2.93Å; K405-E440 IonicContact NZ-OE2 3.73Å; K405-E440 PolarHBondContact NZ-OE2 3.05Å; V409-E440 PolarHBondContact O-N 2.77Å; R410-E440 WeakPolarHBondContact CA-O 3.45Å; R410-E440 HydrophobicContact CG-CB 4.39Å; V411-E440 PolarHBondContact N-O 3.07Å
441	V	98.3	Very high	94.5	Very high	29 Å²	29	64.2 Å²	64.2	18%	0.176	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	119.2	-165.7	-171.4	0	0	0	0	112	V411 V430 L433 K434 L439	V411-V441 CarbonylContact O-C 3.55Å; V411-V441 WeakPolarHBondContact O-CA 3.21Å; V430-V441 HydrophobicContact CG1-CG1 4.33Å; L433-V441 HydrophobicContact CB-CB 4.47Å; L433-V441 HydrophobicContact CB-CG1 4.04Å; L433-V441 HydrophobicContact CB-CG2 3.59Å; L433-V441 HydrophobicContact CD1-CG1 3.76Å; K434-V441 HydrophobicContact CG-CB 4.07Å; K434-V441 HydrophobicContact CG-CG2 4.07Å; L439-V441 HydrophobicContact CB-CG2 4.01Å
442	S	97.7	Very high	94.4	Very high	43 Å²	43	64.9 Å²	64.9	30%	0.301	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	153.5	170.3	84.6	0	0	0	0	111.7	V411 T412 L413	V411-S442 PolarHBondContact O-N 3.49Å; T412-S442 PolarHBondContact OG1-OG 3.33Å; L413-S442 PolarHBondContact N-O 3.06Å
443	V	97.8	Very high	94.3	Very high	64 Å²	64	64 Å²	64	39%	0.388	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	128.5	172.8	-178.4	0	0	0	0	107.5	L413 A415 V430	L413-V443 HydrophobicContact CB-CG2 4.47Å; L413-V443 HydrophobicContact CD2-CG1 4.13Å; L413-V443 WeakPolarHBondContact O-CA 3.46Å; A415-V443 HydrophobicContact CB-CG1 3.89Å; V430-V443 HydrophobicContact CG1-CG2 4.01Å; V430-V443 HydrophobicContact CG2-CG2 3.63Å
444	V	96.8	Very high	94.2	Very high	17 Å²	17	66.8 Å²	66.8	10%	0.103	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.2	-175.1	-62	0	0	0	0	110.6	T412 L413 L414 A415 Y446 L459	T412-V444 HydrophobicContact CG2-CG1 4.13Å; T412-V444 HydrophobicContact CG2-CG2 3.64Å; L413-V444 PolarHBondContact O-N 3.46Å; L414-V444 CarbonylContact C-O 3.36Å; L414-V444 HydrophobicContact CD1-CG2 4.06Å; A415-V444 WeakPolarHBondContact CB-O 3.44Å; A415-V444 PolarHBondContact N-O 2.87Å; V444-Y446 HydrophobicContact CB-CD1 3.89Å; V444-Y446 HydrophobicContact CB-CE1 3.57Å; V444-Y446 HydrophobicContact CG1-CE1 4.05Å; V444-Y446 HydrophobicContact CG2-CD1 3.92Å; V444-Y446 HydrophobicContact CG2-CE1 3.49Å; V444-Y446 VanDerWaalsContact CG2-CE1 3.49Å; V444-Y446 HydrophobicContact CG2-CE2 4.46Å; V444-L459 HydrophobicContact CG1-CD1 4.26Å
445	D	95.1	Very high	94.2	Very high	42 Å²	42	63.6 Å²	63.6	23%	0.225	34%	0.336	C	S	.	.			trans	-123.3	98.9	170.5	-175.6	13.7	0	0	0	107.1	A415 S417 K447	A415-D445 HydrophobicContact CB-CB 4.43Å; S417-D445 WeakPolarHBondContact CB-OD2 3.25Å; S417-D445 PolarHBondContact OG-OD2 3.37Å; D445-K447 PolarHBondContact O-N 2.97Å; D445-K447 WeakPolarHBondContact OD2-CE 3.45Å; D445-K447 IonicContact OD2-NZ 2.83Å; D445-K447 PolarHBondContact OD2-NZ 2.81Å
446	Y	93.3	Very high	94.2	Very high	29 Å²	29	58.7 Å²	58.7	11%	0.114	31%	0.306	C	S	.	.			trans	-76.5	56	-172.8	-70.7	-12.6	0	0	0	112.8	L414 V444 Q456 L459 T460 F466 H476	L414-Y446 HydrophobicContact CD1-CD2 3.85Å; L414-Y446 HydrophobicContact CD1-CE2 4.45Å; L414-Y446 HydrophobicContact CD1-CG 3.89Å; V444-Y446 HydrophobicContact CB-CD1 3.89Å; V444-Y446 HydrophobicContact CB-CE1 3.57Å; V444-Y446 HydrophobicContact CG1-CE1 4.05Å; V444-Y446 HydrophobicContact CG2-CD1 3.92Å; V444-Y446 HydrophobicContact CG2-CE1 3.49Å; V444-Y446 VanDerWaalsContact CG2-CE1 3.49Å; V444-Y446 HydrophobicContact CG2-CE2 4.46Å; Y446-Q456 HydrophobicContact CD1-CB 4.12Å; Y446-Q456 HydrophobicContact CD1-CG 3.77Å; Y446-Q456 HydrophobicContact CD2-CB 4.08Å; Y446-Q456 HydrophobicContact CD2-CG 4.27Å; Y446-Q456 HydrophobicContact CE1-CB 4.03Å; Y446-Q456 HydrophobicContact CE1-CG 4.12Å; Y446-Q456 HydrophobicContact CE2-CB 4Å; Y446-Q456 HydrophobicContact CG-CB 4.14Å; Y446-Q456 HydrophobicContact CG-CG 3.85Å; Y446-Q456 PolarHBondContact OH-O 2.95Å; Y446-Q456 VanDerWaalsContact OH-O 3.12Å; Y446-L459 HydrophobicContact CE1-CD1 4.2Å; Y446-L459 WeakPolarHBondContact OH-CB 3.44Å; Y446-T460 PolarHBondContact OH-N 3.04Å; Y446-T460 PolarHBondContact OH-OG1 3.37Å; Y446-F466 HydrophobicContact CE2-CE2 4.27Å; Y446-F466 HydrophobicContact CE2-CZ 4.01Å; Y446-H476 AromaticContact CD2-CD2 3.75Å; Y446-H476 AromaticContact CD2-CE1 3.59Å; Y446-H476 AromaticContact CD2-ND1 3.98Å; Y446-H476 AromaticContact CD2-NE2 3.42Å; Y446-H476 WeakPolarHBondContact CD2-NE2 3.35Å; Y446-H476 AromaticContact CE2-CD2 3.91Å; Y446-H476 AromaticContact CE2-CE1 3.5Å; Y446-H476 AromaticContact CE2-CG 3.75Å; Y446-H476 AromaticContact CE2-ND1 3.47Å; Y446-H476 WeakPolarHBondContact CE2-ND1 3.19Å; Y446-H476 AromaticContact CE2-NE2 3.76Å
447	K	86.6	Confident	94.2	Very high	81 Å²	81	57.3 Å²	57.3	35%	0.352	30%	0.298	S	S	.	.			trans	-73.9	126.7	162.6	-70.9	159	178.8	149.3	0	108.5	S417 D445 K449 D450 V451	S417-K447 WeakPolarHBondContact OG-CE 3.35Å; S417-K447 PolarHBondContact OG-NZ 3.19Å; D445-K447 PolarHBondContact O-N 2.97Å; D445-K447 WeakPolarHBondContact OD2-CE 3.45Å; D445-K447 IonicContact OD2-NZ 2.83Å; D445-K447 PolarHBondContact OD2-NZ 2.81Å; K447-K449 PolarHBondContact O-N 3.05Å; K447-K449 VanDerWaalsContact O-N 3.08Å; K447-D450 HydrophobicContact CB-CB 4.13Å; K447-D450 WeakPolarHBondContact CD-OD2 3.27Å; K447-D450 IonicContact NZ-OD2 3.54Å; K447-D450 PolarHBondContact O-N 3.38Å; K447-V451 PolarHBondContact O-N 3.26Å
448	Y	76.9	Confident	94.3	Very high	91 Å²	91	57 Å²	57	36%	0.357	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-30.8	177.9	-174.2	-94.1	0	0	0	114	L329 E332 F453	L329-Y448 HydrophobicContact CB-CD2 4.36Å; L329-Y448 HydrophobicContact CD2-CD1 4.26Å; L329-Y448 HydrophobicContact CD2-CG 4.28Å; L329-Y448 WeakPolarHBondContact O-CD2 3.33Å; L329-Y448 WeakPolarHBondContact O-CE2 3.42Å; E332-Y448 PolarHBondContact OE1-OH 3.19Å; Y448-F453 HydrophobicContact CE2-CB 4.29Å
449	K	80.7	Confident	94.4	Very high	199 Å²	199	56.9 Å²	56.9	87%	0.865	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-23.9	176.2	-69.6	-172.6	176.1	-176.5	0	114.5	K447	K447-K449 PolarHBondContact O-N 3.05Å; K447-K449 VanDerWaalsContact O-N 3.08Å
450	D	88.8	Confident	94.4	Very high	104 Å²	104	56.4 Å²	56.4	56%	0.556	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-32.3	-170.6	-56.8	-3.9	0	0	0	110.9	K447	K447-D450 HydrophobicContact CB-CB 4.13Å; K447-D450 WeakPolarHBondContact CD-OD2 3.27Å; K447-D450 IonicContact NZ-OD2 3.54Å; K447-D450 PolarHBondContact O-N 3.38Å
451	V	93.4	Very high	94.4	Very high	28 Å²	28	53.6 Å²	53.6	17%	0.17	27%	0.266	C	S	.	.	S	Bend	trans	-133.3	111.3	176.7	-170.5	0	0	0	0	109.1	K447 E455 Q456 L459	K447-V451 PolarHBondContact O-N 3.26Å; V451-E455 HydrophobicContact CG1-CB 4.03Å; V451-E455 HydrophobicContact CG1-CG 4.11Å; V451-Q456 HydrophobicContact CB-CG 4.01Å; V451-Q456 HydrophobicContact CG1-CG 3.6Å; V451-Q456 PolarHBondContact O-NE2 2.96Å; V451-L459 HydrophobicContact CG1-CD1 4.4Å
452	P	95.4	Very high	94.3	Very high	81 Å²	81	53 Å²	53	53%	0.526	26%	0.262	S	S	.	.			trans	-58.7	147.5	176.1	-24.8	34.8	0	0	0	112.4	L454 E455 Q456	P452-L454 VanDerWaalsContact C-N 3.33Å; P452-L454 PolarHBondContact O-N 3.1Å; P452-E455 WeakPolarHBondContact O-CB 3.49Å; P452-E455 PolarHBondContact O-N 3.06Å; P452-Q456 PolarHBondContact O-N 3.33Å; P452-Q456 VanDerWaalsContact O-N 3.11Å
453	F	96.6	Very high	94.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60	-38.8	-168.3	-178.6	-116.9	0	0	0	113.8	M290 F294 F330 T333 Y448 E455 Q456 L457	M290-F453 HydrophobicContact CE-CE2 3.98Å; M290-F453 HydrophobicContact CE-CZ 4.1Å; F294-F453 HydrophobicContact CE2-CE1 4.42Å; F294-F453 HydrophobicContact CE2-CE2 4.49Å; F294-F453 AromaticContact CE2-CZ 3.8Å; F294-F453 HydrophobicContact CE2-CZ 3.8Å; F294-F453 AromaticContact CZ-CE1 3.91Å; F294-F453 HydrophobicContact CZ-CE1 3.91Å; F294-F453 AromaticContact CZ-CZ 3.51Å; F294-F453 HydrophobicContact CZ-CZ 3.51Å; F330-F453 HydrophobicContact CB-CD1 4.49Å; F330-F453 HydrophobicContact CB-CE1 4.42Å; F330-F453 HydrophobicContact CD1-CD1 4.43Å; F330-F453 AromaticContact CD1-CD2 3.66Å; F330-F453 HydrophobicContact CD1-CD2 3.66Å; F330-F453 HydrophobicContact CD1-CE1 4.38Å; F330-F453 AromaticContact CD1-CE2 3.6Å; F330-F453 HydrophobicContact CD1-CE2 3.6Å; F330-F453 HydrophobicContact CD1-CG 4.1Å; F330-F453 AromaticContact CD1-CZ 3.98Å; F330-F453 HydrophobicContact CD1-CZ 3.98Å; F330-F453 HydrophobicContact CE1-CD2 4.13Å; F330-F453 HydrophobicContact CE1-CE2 4.08Å; T333-F453 VanDerWaalsContact OG1-CE1 3.32Å; T333-F453 WeakPolarHBondContact OG1-CE1 3.47Å; Y448-F453 HydrophobicContact CE2-CB 4.29Å; F453-E455 VanDerWaalsContact C-N 3.29Å; F453-E455 PolarHBondContact O-N 2.85Å; F453-Q456 HydrophobicContact CD2-CB 4.5Å; F453-Q456 WeakPolarHBondContact O-CB 3.17Å; F453-Q456 PolarHBondContact O-N 3.05Å; F453-Q456 VanDerWaalsContact O-N 3.12Å; F453-L457 HydrophobicContact CD1-CD1 4.33Å; F453-L457 HydrophobicContact CD1-CG 4.43Å; F453-L457 HydrophobicContact CE1-CD1 3.72Å; F453-L457 HydrophobicContact CE1-CD2 4.18Å; F453-L457 HydrophobicContact CE1-CG 3.91Å; F453-L457 HydrophobicContact CE2-CD2 4.05Å; F453-L457 HydrophobicContact CE2-CG 4.22Å; F453-L457 HydrophobicContact CZ-CD1 4.04Å; F453-L457 HydrophobicContact CZ-CD2 3.6Å; F453-L457 HydrophobicContact CZ-CG 3.79Å; F453-L457 PolarHBondContact O-N 3.01Å
454	L	97.6	Very high	94.4	Very high	57 Å²	57	47.9 Å²	47.9	30%	0.298	23%	0.229	S	C	.	.	H	α-helix	trans	-63.2	-32.2	175.9	-59.7	-176.4	0	0	0	113.1	E332 L397 I399 P452 L457 R458	E332-L454 HydrophobicContact CB-CD1 4.48Å; E332-L454 HydrophobicContact CB-CD2 3.92Å; E332-L454 HydrophobicContact CB-CG 4.1Å; E332-L454 HydrophobicContact CG-CG 4.38Å; L397-L454 HydrophobicContact CB-CD2 4.31Å; L397-L454 HydrophobicContact CD1-CD2 3.94Å; L397-L454 HydrophobicContact CG-CD2 4.49Å; I399-L454 HydrophobicContact CD1-CB 4.23Å; I399-L454 HydrophobicContact CD1-CD2 4.36Å; P452-L454 VanDerWaalsContact C-N 3.33Å; P452-L454 PolarHBondContact O-N 3.1Å; L454-L457 HydrophobicContact CD2-CD1 4.35Å; L454-L457 PolarHBondContact O-N 3.44Å; L454-R458 PolarHBondContact O-N 3.42Å
455	E	97.6	Very high	94.5	Very high	75 Å²	75	47 Å²	47	35%	0.35	22%	0.224	S	C	.	.	H	α-helix	trans	-73.3	-36.4	173.4	-172.2	59.8	-150.5	0	0	111.1	V451 P452 F453 L457 R458 L459	V451-E455 HydrophobicContact CG1-CB 4.03Å; V451-E455 HydrophobicContact CG1-CG 4.11Å; P452-E455 WeakPolarHBondContact O-CB 3.49Å; P452-E455 PolarHBondContact O-N 3.06Å; F453-E455 VanDerWaalsContact C-N 3.29Å; F453-E455 PolarHBondContact O-N 2.85Å; E455-L457 VanDerWaalsContact C-N 3.29Å; E455-L457 PolarHBondContact O-N 3.42Å; E455-R458 PolarHBondContact O-N 2.92Å; E455-R458 IonicContact OE1-NE 3.61Å; E455-R458 WeakPolarHBondContact OE2-CD 3.45Å; E455-R458 IonicContact OE2-NE 3.45Å; E455-L459 HydrophobicContact CG-CD1 4.18Å; E455-L459 HydrophobicContact CG-CG 4.39Å; E455-L459 WeakPolarHBondContact O-CB 3.25Å; E455-L459 WeakPolarHBondContact O-CG 3.37Å; E455-L459 PolarHBondContact O-N 3.49Å
456	Q	97.8	Very high	94.7	Very high	5 Å²	5	45 Å²	45	2%	0.023	21%	0.213	C	C	.	.	H	α-helix	trans	-59.7	-41.7	171.4	-52.7	176.6	14.7	0	0	111.1	Y446 V451 P452 F453 T460 H476	Y446-Q456 HydrophobicContact CD1-CB 4.12Å; Y446-Q456 HydrophobicContact CD1-CG 3.77Å; Y446-Q456 HydrophobicContact CD2-CB 4.08Å; Y446-Q456 HydrophobicContact CD2-CG 4.27Å; Y446-Q456 HydrophobicContact CE1-CB 4.03Å; Y446-Q456 HydrophobicContact CE1-CG 4.12Å; Y446-Q456 HydrophobicContact CE2-CB 4Å; Y446-Q456 HydrophobicContact CG-CB 4.14Å; Y446-Q456 HydrophobicContact CG-CG 3.85Å; Y446-Q456 PolarHBondContact OH-O 2.95Å; Y446-Q456 VanDerWaalsContact OH-O 3.12Å; V451-Q456 HydrophobicContact CB-CG 4.01Å; V451-Q456 HydrophobicContact CG1-CG 3.6Å; V451-Q456 PolarHBondContact O-NE2 2.96Å; P452-Q456 PolarHBondContact O-N 3.33Å; P452-Q456 VanDerWaalsContact O-N 3.11Å; F453-Q456 HydrophobicContact CD2-CB 4.5Å; F453-Q456 WeakPolarHBondContact O-CB 3.17Å; F453-Q456 PolarHBondContact O-N 3.05Å; F453-Q456 VanDerWaalsContact O-N 3.12Å; Q456-T460 WeakPolarHBondContact O-CB 3.47Å; Q456-T460 PolarHBondContact O-N 3.39Å; Q456-T460 PolarHBondContact O-OG1 2.87Å; Q456-T460 VanDerWaalsContact O-OG1 3.1Å; Q456-H476 PolarHBondContact OE1-CE1 2.66Å; Q456-H476 PolarHBondContact OE1-NE2 3.06Å
457	L	98.3	Very high	95	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.7	-44.8	173.2	-68.3	-174.1	0	0	0	112	L397 I399 F453 L454 E455 T460 H461 F479	L397-L457 HydrophobicContact CD1-CD1 3.77Å; I399-L457 HydrophobicContact CD1-CB 4.22Å; I399-L457 HydrophobicContact CG1-CB 4.16Å; I399-L457 HydrophobicContact CG1-CD1 4.32Å; I399-L457 HydrophobicContact CG2-CB 4.38Å; F453-L457 HydrophobicContact CD1-CD1 4.33Å; F453-L457 HydrophobicContact CD1-CG 4.43Å; F453-L457 HydrophobicContact CE1-CD1 3.72Å; F453-L457 HydrophobicContact CE1-CD2 4.18Å; F453-L457 HydrophobicContact CE1-CG 3.91Å; F453-L457 HydrophobicContact CE2-CD2 4.05Å; F453-L457 HydrophobicContact CE2-CG 4.22Å; F453-L457 HydrophobicContact CZ-CD1 4.04Å; F453-L457 HydrophobicContact CZ-CD2 3.6Å; F453-L457 HydrophobicContact CZ-CG 3.79Å; F453-L457 PolarHBondContact O-N 3.01Å; L454-L457 HydrophobicContact CD2-CD1 4.35Å; L454-L457 PolarHBondContact O-N 3.44Å; E455-L457 VanDerWaalsContact C-N 3.29Å; E455-L457 PolarHBondContact O-N 3.42Å; L457-T460 PolarHBondContact O-N 2.78Å; L457-H461 VanDerWaalsContact O-CB 3.25Å; L457-H461 WeakPolarHBondContact O-CB 3.15Å; L457-H461 PolarHBondContact O-N 3.18Å; L457-F479 HydrophobicContact CD2-CB 4.15Å; L457-F479 HydrophobicContact CD2-CD1 4.41Å; L457-F479 HydrophobicContact CD2-CD2 3.38Å; L457-F479 HydrophobicContact CD2-CE2 3.9Å; L457-F479 HydrophobicContact CD2-CG 3.69Å
458	R	98.2	Very high	95.5	Very high	100 Å²	100	39.8 Å²	39.8	38%	0.377	19%	0.191	S	C	.	.	H	α-helix	trans	-61.3	-44.6	177.9	175.2	179.3	151.8	86.4	3	112.6	I399 L454 E455 N462	I399-R458 HydrophobicContact CG2-CB 4.33Å; L454-R458 PolarHBondContact O-N 3.42Å; E455-R458 PolarHBondContact O-N 2.92Å; E455-R458 IonicContact OE1-NE 3.61Å; E455-R458 WeakPolarHBondContact OE2-CD 3.45Å; E455-R458 IonicContact OE2-NE 3.45Å; R458-N462 PolarHBondContact O-N 3.25Å; R458-N462 PolarHBondContact O-ND2 3.48Å
459	L	98.1	Very high	96.4	Very high	59 Å²	59	35.5 Å²	35.5	31%	0.309	17%	0.174	S	C	.	.	H	α-helix	trans	-65.3	-47.2	176.8	-69.4	169.2	0	0	0	111	V444 Y446 V451 E455 N462 S463	V444-L459 HydrophobicContact CG1-CD1 4.26Å; Y446-L459 HydrophobicContact CE1-CD1 4.2Å; Y446-L459 WeakPolarHBondContact OH-CB 3.44Å; V451-L459 HydrophobicContact CG1-CD1 4.4Å; E455-L459 HydrophobicContact CG-CD1 4.18Å; E455-L459 HydrophobicContact CG-CG 4.39Å; E455-L459 WeakPolarHBondContact O-CB 3.25Å; E455-L459 WeakPolarHBondContact O-CG 3.37Å; E455-L459 PolarHBondContact O-N 3.49Å; L459-N462 CarbonylContact O-C 3.58Å; L459-N462 PolarHBondContact O-N 3.22Å; L459-S463 PolarHBondContact O-N 2.79Å; L459-S463 PolarHBondContact O-OG 3.26Å
460	T	98.3	Very high	97	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.8	-48.4	175.7	-74.5	0	0	0	0	112.1	Y446 Q456 L457 N462 S463 H476 F479 L480	Y446-T460 PolarHBondContact OH-N 3.04Å; Y446-T460 PolarHBondContact OH-OG1 3.37Å; Q456-T460 WeakPolarHBondContact O-CB 3.47Å; Q456-T460 PolarHBondContact O-N 3.39Å; Q456-T460 PolarHBondContact O-OG1 2.87Å; Q456-T460 VanDerWaalsContact O-OG1 3.1Å; L457-T460 PolarHBondContact O-N 2.78Å; T460-N462 PolarHBondContact O-N 3.25Å; T460-S463 WeakPolarHBondContact O-CB 3.07Å; T460-S463 PolarHBondContact O-N 2.73Å; T460-H476 HydrophobicContact CG2-CB 3.78Å; T460-H476 WeakPolarHBondContact CG2-O 3.37Å; T460-H476 PolarHBondContact OG1-ND1 2.75Å; T460-H476 VanDerWaalsContact OG1-ND1 3.08Å; T460-F479 HydrophobicContact CG2-CB 3.95Å; T460-L480 HydrophobicContact CG2-CD2 3.86Å; T460-L480 HydrophobicContact CG2-CG 4.27Å; T460-L480 WeakPolarHBondContact O-CD2 3.38Å
461	H	98.2	Very high	97.2	Very high	22 Å²	22	21.8 Å²	21.8	10%	0.102	11%	0.111	C	C	.	.	H	α-helix	trans	-66.6	-12.6	-178.3	-163.7	47.6	0	0	0	113.7	L394 I399 Q401 L457 F479	L394-H461 VanDerWaalsContact CD1-CE1 3.45Å; L394-H461 WeakPolarHBondContact CD1-CE1 3.43Å; L394-H461 WeakPolarHBondContact CD1-ND1 3.34Å; L394-H461 HydrophobicContact CD2-CB 4.23Å; I399-H461 HydrophobicContact CG2-CB 4.18Å; Q401-H461 VanDerWaalsContact CB-NE2 3.34Å; Q401-H461 WeakPolarHBondContact CB-NE2 3.46Å; Q401-H461 VanDerWaalsContact CG-NE2 3.27Å; Q401-H461 WeakPolarHBondContact CG-NE2 3.03Å; L457-H461 VanDerWaalsContact O-CB 3.25Å; L457-H461 WeakPolarHBondContact O-CB 3.15Å; L457-H461 PolarHBondContact O-N 3.18Å; H461-F479 VanDerWaalsContact CA-O 3.31Å; H461-F479 WeakPolarHBondContact CA-O 3.45Å; H461-F479 PolarHBondContact ND1-O 2.69Å
462	N	98.1	Very high	97.2	Very high	15 Å²	15	21.6 Å²	21.6	8%	0.08	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	28.3	174	-67.2	-82.4	0	0	0	112.2	P400 Q401 N402 R410 R458 L459 T460	P400-N462 PolarHBondContact O-ND2 3.41Å; Q401-N462 PolarHBondContact NE2-OD1 3.13Å; N402-N462 VanDerWaalsContact CB-OD1 3.31Å; N402-N462 WeakPolarHBondContact CB-OD1 3.42Å; N402-N462 PolarHBondContact N-OD1 2.65Å; N402-N462 VanDerWaalsContact ND2-CG 3.27Å; N402-N462 PolarHBondContact ND2-ND2 2.88Å; N402-N462 PolarHBondContact ND2-OD1 2.7Å; R410-N462 WeakPolarHBondContact CD-O 3.46Å; R410-N462 PolarHBondContact NE-O 3.25Å; R410-N462 VanDerWaalsContact NE-O 3.09Å; R458-N462 PolarHBondContact O-N 3.25Å; R458-N462 PolarHBondContact O-ND2 3.48Å; L459-N462 CarbonylContact O-C 3.58Å; L459-N462 PolarHBondContact O-N 3.22Å; T460-N462 PolarHBondContact O-N 3.25Å
463	S	98.4	Very high	97.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.1	C	C	.	.			trans	-109.5	125.6	171.8	-60.7	0	0	0	0	110.2	T412 L459 T460 P481	T412-S463 VanDerWaalsContact CB-OG 3.24Å; T412-S463 WeakPolarHBondContact CB-OG 3.28Å; T412-S463 PolarHBondContact OG1-OG 2.78Å; L459-S463 PolarHBondContact O-N 2.79Å; L459-S463 PolarHBondContact O-OG 3.26Å; T460-S463 WeakPolarHBondContact O-CB 3.07Å; T460-S463 PolarHBondContact O-N 2.73Å; S463-P481 VanDerWaalsContact O-CD 3.24Å; S463-P481 WeakPolarHBondContact O-CD 3.38Å; S463-P481 WeakPolarHBondContact O-CG 3.35Å
464	D	98.6	Very high	97.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-93.8	-31.5	-176.7	-50.8	-47.4	0	0	0	111.5	V409 R410 W483 A484 V485 V556 W562	V409-D464 HydrophobicContact CG1-CB 3.99Å; R410-D464 VanDerWaalsContact CB-OD2 3.24Å; R410-D464 WeakPolarHBondContact CB-OD2 3.49Å; R410-D464 WeakPolarHBondContact CG-OD2 3.43Å; R410-D464 IonicContact CZ-OD1 2.67Å; R410-D464 IonicContact CZ-OD2 2.76Å; R410-D464 PolarHBondContact N-OD2 3.28Å; R410-D464 IonicContact NE-OD1 3.79Å; R410-D464 PolarHBondContact NE-OD1 2.87Å; R410-D464 IonicContact NE-OD2 3.66Å; R410-D464 PolarHBondContact NE-OD2 2.98Å; R410-D464 IonicContact NH2-OD1 2.69Å; R410-D464 PolarHBondContact NH2-OD1 3.43Å; R410-D464 IonicContact NH2-OD2 2.71Å; R410-D464 PolarHBondContact NH2-OD2 2.75Å; R410-D464 PolarHBondContact O-N 3.49Å; D464-W483 PolarHBondContact OD1-NE1 3.07Å; D464-A484 VanDerWaalsContact O-CA 3.23Å; D464-A484 WeakPolarHBondContact O-CA 3.34Å; D464-V485 PolarHBondContact O-N 2.84Å; D464-V556 HydrophobicContact CB-CG1 4.04Å; D464-V556 HydrophobicContact CB-CG2 4.45Å; D464-V556 WeakPolarHBondContact O-CG2 3.32Å; D464-W562 HydrophobicContact CB-CH2 4.48Å; D464-W562 HydrophobicContact CB-CZ3 4.18Å; D464-W562 VanDerWaalsContact OD1-CZ3 3.26Å; D464-W562 WeakPolarHBondContact OD1-CZ3 3.31Å; D464-W562 WeakPolarHBondContact OD2-CH2 3.16Å
465	I	98.8	Very high	97.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	123.4	163.4	-52.9	175.1	0	0	0	107.3	V409 R410 V411 T412 I467 V485 V549 A552 A553 V556	V409-I465 HydrophobicContact CG1-CD1 3.85Å; V409-I465 HydrophobicContact CG1-CG1 3.92Å; R410-I465 PolarHBondContact O-N 3.31Å; V411-I465 WeakPolarHBondContact CA-O 3.17Å; V411-I465 HydrophobicContact CG1-CB 4.33Å; V411-I465 HydrophobicContact CG2-CB 4.27Å; V411-I465 HydrophobicContact CG2-CD1 4.11Å; T412-I465 PolarHBondContact N-O 3.15Å; I465-I467 HydrophobicContact CG2-CD1 4.26Å; I465-I467 HydrophobicContact CG2-CG1 3.86Å; I465-V485 WeakPolarHBondContact CA-O 3Å; I465-V549 HydrophobicContact CD1-CG1 4.07Å; I465-A552 HydrophobicContact CD1-CB 3.79Å; I465-A552 HydrophobicContact CG1-CB 4.24Å; I465-A552 HydrophobicContact CG2-CB 4.35Å; I465-A553 HydrophobicContact CD1-CB 3.97Å; I465-V556 HydrophobicContact CG1-CG2 4.19Å
466	F	98.8	Very high	97.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122	175.6	-163.5	-90.2	0	0	0	109.2	T412 L414 Y446 L474 H476 L480 V485 I486 F487	T412-F466 HydrophobicContact CG2-CD2 3.88Å; T412-F466 HydrophobicContact CG2-CE2 3.72Å; T412-F466 WeakPolarHBondContact O-CA 3.4Å; L414-F466 HydrophobicContact CB-CE1 3.96Å; L414-F466 HydrophobicContact CB-CZ 3.95Å; L414-F466 HydrophobicContact CD2-CE1 4.06Å; L414-F466 HydrophobicContact CD2-CZ 4.22Å; L414-F466 HydrophobicContact CG-CZ 4.49Å; Y446-F466 HydrophobicContact CE2-CE2 4.27Å; Y446-F466 HydrophobicContact CE2-CZ 4.01Å; F466-L474 HydrophobicContact CE1-CD2 4.47Å; F466-H476 HydrophobicContact CE1-CB 4.36Å; F466-H476 HydrophobicContact CZ-CB 4.16Å; F466-L480 HydrophobicContact CB-CD1 3.89Å; F466-L480 HydrophobicContact CB-CD2 3.66Å; F466-L480 HydrophobicContact CB-CG 4.43Å; F466-L480 HydrophobicContact CD2-CD2 4.1Å; F466-L480 HydrophobicContact CG-CD2 4.05Å; F466-V485 PolarHBondContact N-O 3.35Å; F466-I486 HydrophobicContact CB-CD1 4.17Å; F466-I486 HydrophobicContact CD1-CD1 3.72Å; F466-I486 HydrophobicContact CG-CD1 4.41Å; F466-F487 PolarHBondContact O-N 3.4Å
467	I	98.8	Very high	97.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132.3	-171.5	-52.6	-178	0	0	0	108.6	V411 T412 L413 L414 L433 I465 F487 L489 F545 V549	V411-I467 HydrophobicContact CG1-CD1 3.56Å; V411-I467 HydrophobicContact CG1-CG1 4.2Å; T412-I467 PolarHBondContact O-N 2.98Å; L413-I467 WeakPolarHBondContact CA-O 3.14Å; L413-I467 HydrophobicContact CD1-CG2 4.45Å; L414-I467 PolarHBondContact N-O 2.98Å; L433-I467 HydrophobicContact CD1-CD1 4.48Å; I465-I467 HydrophobicContact CG2-CD1 4.26Å; I465-I467 HydrophobicContact CG2-CG1 3.86Å; I467-F487 WeakPolarHBondContact CA-O 3.28Å; I467-F487 HydrophobicContact CD1-CD1 4.34Å; I467-F487 HydrophobicContact CG1-CB 4.19Å; I467-F487 HydrophobicContact CG1-CD1 4.26Å; I467-F487 HydrophobicContact CG2-CB 4.43Å; I467-F487 HydrophobicContact CG2-CD1 4.05Å; I467-F487 HydrophobicContact CG2-CG 4.37Å; I467-L489 HydrophobicContact CG2-CD1 3.88Å; I467-L489 HydrophobicContact CG2-CD2 4.1Å; I467-L489 HydrophobicContact CG2-CG 3.75Å; I467-F545 HydrophobicContact CD1-CE2 4.08Å; I467-F545 HydrophobicContact CD1-CZ 3.9Å; I467-F545 HydrophobicContact CG2-CE2 4.04Å; I467-V549 HydrophobicContact CD1-CG2 3.7Å
468	G	97.5	Very high	97.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	169.8	174	0	0	0	0	0	115.4	F487 E488 L489	G468-F487 PolarHBondContact N-O 2.79Å; G468-E488 WeakPolarHBondContact O-CA 3.44Å; G468-L489 PolarHBondContact O-N 3.09Å
469	M	95.8	Very high	97.4	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.005	5%	0.051	C	C	.	.			trans	-90	142.6	177.9	-79.8	-65.9	-69.6	0	0	112.4	R416 R421 I423 G471 L489 Y538 F540	R416-M469 PolarHBondContact NH1-O 2.79Å; R421-M469 HydrophobicContact CB-CE 4.11Å; R421-M469 WeakPolarHBondContact O-CB 3.37Å; R421-M469 WeakPolarHBondContact O-CG 3.33Å; I423-M469 HydrophobicContact CD1-CG 4.19Å; I423-M469 HydrophobicContact CG1-CG 3.61Å; M469-G471 PolarHBondContact O-N 2.91Å; M469-L489 HydrophobicContact CG-CB 4.18Å; M469-L489 HydrophobicContact CG-CD1 4.33Å; M469-L489 HydrophobicContact SD-CB 3.55Å; M469-L489 VanDerWaalsContact SD-CB 3.55Å; M469-Y538 HydrophobicContact CE-CD2 3.48Å; M469-Y538 VanDerWaalsContact CE-CD2 3.48Å; M469-Y538 HydrophobicContact CE-CE2 4.18Å; M469-Y538 HydrophobicContact CE-CG 4.05Å; M469-F540 HydrophobicContact CE-CZ 4.19Å; M469-F540 HydrophobicContact SD-CE1 4.43Å; M469-F540 HydrophobicContact SD-CE2 3.89Å; M469-F540 HydrophobicContact SD-CZ 3.4Å; M469-F540 WeakPolarHBondContact SD-CZ 3.49Å
470	H	94.5	Very high	97.4	Very high	8 Å²	8	5 Å²	5	4%	0.037	4%	0.036	C	C	.	.	S	Bend	trans	-43.5	126	-176.3	-177.9	87.6	0	0	0	115	R416 R421 E488 Y490 N491 C492 D494 Y498	R416-H470 PolarHBondContact NH1-O 3.24Å; R421-H470 PolarHBondContact NE-O 2.77Å; H470-E488 VanDerWaalsContact CA-OE1 3.29Å; H470-E488 WeakPolarHBondContact CA-OE1 3.36Å; H470-E488 WeakPolarHBondContact CB-OE1 3.14Å; H470-E488 IonicContact CE1-OE1 3.64Å; H470-E488 IonicContact CG-OE1 2.68Å; H470-E488 VanDerWaalsContact CG-OE1 3.28Å; H470-E488 IonicContact ND1-OE1 3.74Å; H470-E488 PolarHBondContact ND1-OE1 2.77Å; H470-Y490 WeakPolarHBondContact CB-O 3.27Å; H470-N491 PolarHBondContact ND1-O 3.03Å; H470-C492 HydrophobicContact CB-CB 4.39Å; H470-D494 IonicContact CE1-OD2 2.67Å; H470-D494 IonicContact NE2-OD2 3.78Å; H470-Y498 AromaticContact CE1-CD2 3.97Å; H470-Y498 AromaticContact CE1-CE2 3.64Å; H470-Y498 AromaticContact ND1-CD2 3.63Å; H470-Y498 AromaticContact ND1-CE2 3.53Å
471	G	93.4	Very high	97.4	Very high	6 Å²	6	5.1 Å²	5.1	6%	0.062	4%	0.037	C	C	.	.	S	Bend	trans	144.3	176.9	175.8	0	0	0	0	0	112.1	M469 G473 L474 Y498	M469-G471 PolarHBondContact O-N 2.91Å; G471-G473 PolarHBondContact O-N 3.11Å; G471-L474 PolarHBondContact O-N 2.03Å; G471-Y498 PolarHBondContact O-OH 3.39Å
472	A	93.3	Very high	97.3	Very high	25 Å²	25	5 Å²	5	21%	0.207	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-50.6	-31	-160.9	0	0	0	0	0	116.5	N289 M290 L474 T475 Y498	N289-A472 WeakPolarHBondContact OD1-CB 3.2Å; M290-A472 HydrophobicContact CB-CB 4.39Å; A472-L474 PolarHBondContact O-N 3.24Å; A472-T475 WeakPolarHBondContact O-CB 3.4Å; A472-T475 PolarHBondContact O-N 3.47Å; A472-T475 PolarHBondContact O-OG1 2.84Å; A472-Y498 PolarHBondContact N-OH 3.34Å
473	G	95.2	Very high	97.3	Very high	24 Å²	24	5.2 Å²	5.2	25%	0.247	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-64.8	-16.4	175.6	0	0	0	0	0	114.9	G471 T475 H476	G471-G473 PolarHBondContact O-N 3.11Å; G473-T475 PolarHBondContact O-N 2.92Å; G473-H476 WeakPolarHBondContact O-CB 3.37Å; G473-H476 PolarHBondContact O-CD2 3.47Å; G473-H476 PolarHBondContact O-N 2.81Å
474	L	97	Very high	97.3	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-73.1	-11.9	169.1	-62.5	-171.9	0	0	0	112.8	F466 G471 A472 H476 L477 I486 E488 Y498	F466-L474 HydrophobicContact CE1-CD2 4.47Å; G471-L474 PolarHBondContact O-N 2.03Å; A472-L474 PolarHBondContact O-N 3.24Å; L474-H476 PolarHBondContact O-N 3.18Å; L474-H476 VanDerWaalsContact O-N 3.16Å; L474-L477 WeakPolarHBondContact O-CB 3.34Å; L474-L477 WeakPolarHBondContact O-CD2 3.49Å; L474-L477 WeakPolarHBondContact O-CG 3.45Å; L474-L477 PolarHBondContact O-N 2.89Å; L474-I486 HydrophobicContact CD2-CD1 4.21Å; L474-E488 HydrophobicContact CD1-CB 4.06Å; L474-E488 HydrophobicContact CD1-CG 3.77Å; L474-Y498 HydrophobicContact CB-CD1 3.55Å; L474-Y498 HydrophobicContact CB-CD2 4.25Å; L474-Y498 HydrophobicContact CB-CE1 3.58Å; L474-Y498 HydrophobicContact CB-CE2 4.3Å; L474-Y498 HydrophobicContact CB-CG 3.91Å; L474-Y498 HydrophobicContact CD1-CD2 3.97Å; L474-Y498 HydrophobicContact CD1-CE2 4.36Å; L474-Y498 HydrophobicContact CD1-CG 4.14Å
475	T	97.8	Very high	97.3	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-63.1	-18.6	172.2	-45	0	0	0	0	112.2	M290 Y291 F294 F371 A472 G473 L477 L478 L501	M290-T475 HydrophobicContact CE-CG2 4.37Å; M290-T475 HydrophobicContact CG-CG2 4.06Å; M290-T475 HydrophobicContact SD-CG2 4.31Å; Y291-T475 VanDerWaalsContact CA-OG1 3.3Å; Y291-T475 WeakPolarHBondContact CA-OG1 3.43Å; Y291-T475 WeakPolarHBondContact CB-OG1 3.38Å; Y291-T475 PolarHBondContact N-OG1 2.94Å; F294-T475 HydrophobicContact CB-CG2 3.93Å; F294-T475 HydrophobicContact CG-CG2 4.37Å; F371-T475 HydrophobicContact CZ-CG2 4.34Å; A472-T475 WeakPolarHBondContact O-CB 3.4Å; A472-T475 PolarHBondContact O-N 3.47Å; A472-T475 PolarHBondContact O-OG1 2.84Å; G473-T475 PolarHBondContact O-N 2.92Å; T475-L477 PolarHBondContact O-N 3.1Å; T475-L478 HydrophobicContact CG2-CD1 3.8Å; T475-L478 HydrophobicContact CG2-CG 4.39Å; T475-L478 WeakPolarHBondContact O-CB 3.17Å; T475-L478 WeakPolarHBondContact O-CG 3.07Å; T475-L478 PolarHBondContact O-N 3.41Å; T475-L501 HydrophobicContact CG2-CD2 4.43Å
476	H	98.3	Very high	97.3	Very high	3 Å²	3	5.2 Å²	5.2	1%	0.014	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-53.5	-19.7	165.6	-79.5	-92.3	0	0	0	113.2	M290 Y446 Q456 T460 F466 G473 L474 L478 F479	M290-H476 PolarHBondContact SD-CD2 2.84Å; M290-H476 PolarHBondContact SD-NE2 3.03Å; Y446-H476 AromaticContact CD2-CD2 3.75Å; Y446-H476 AromaticContact CD2-CE1 3.59Å; Y446-H476 AromaticContact CD2-ND1 3.98Å; Y446-H476 AromaticContact CD2-NE2 3.42Å; Y446-H476 WeakPolarHBondContact CD2-NE2 3.35Å; Y446-H476 AromaticContact CE2-CD2 3.91Å; Y446-H476 AromaticContact CE2-CE1 3.5Å; Y446-H476 AromaticContact CE2-CG 3.75Å; Y446-H476 AromaticContact CE2-ND1 3.47Å; Y446-H476 WeakPolarHBondContact CE2-ND1 3.19Å; Y446-H476 AromaticContact CE2-NE2 3.76Å; Q456-H476 PolarHBondContact OE1-CE1 2.66Å; Q456-H476 PolarHBondContact OE1-NE2 3.06Å; T460-H476 HydrophobicContact CG2-CB 3.78Å; T460-H476 WeakPolarHBondContact CG2-O 3.37Å; T460-H476 PolarHBondContact OG1-ND1 2.75Å; T460-H476 VanDerWaalsContact OG1-ND1 3.08Å; F466-H476 HydrophobicContact CE1-CB 4.36Å; F466-H476 HydrophobicContact CZ-CB 4.16Å; G473-H476 WeakPolarHBondContact O-CB 3.37Å; G473-H476 PolarHBondContact O-CD2 3.47Å; G473-H476 PolarHBondContact O-N 2.81Å; L474-H476 PolarHBondContact O-N 3.18Å; L474-H476 VanDerWaalsContact O-N 3.16Å; H476-L478 PolarHBondContact O-N 3.42Å; H476-F479 PolarHBondContact O-N 2.93Å
477	L	98.5	Very high	97.3	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-53.7	-26.3	172.8	79.9	79	0	0	0	113.4	L474 T475 F479 L480 I486 Y498 L501 A502 R505 I507	L474-L477 WeakPolarHBondContact O-CB 3.34Å; L474-L477 WeakPolarHBondContact O-CD2 3.49Å; L474-L477 WeakPolarHBondContact O-CG 3.45Å; L474-L477 PolarHBondContact O-N 2.89Å; T475-L477 PolarHBondContact O-N 3.1Å; L477-F479 PolarHBondContact O-N 3.26Å; L477-L480 HydrophobicContact CB-CD1 4.14Å; L477-L480 PolarHBondContact O-N 3.11Å; L477-I486 HydrophobicContact CB-CB 4.28Å; L477-I486 HydrophobicContact CB-CD1 4.07Å; L477-I486 HydrophobicContact CB-CG1 3.91Å; L477-I486 HydrophobicContact CD2-CG1 4.16Å; L477-Y498 HydrophobicContact CD2-CD1 3.81Å; L477-Y498 HydrophobicContact CD2-CG 4.36Å; L477-L501 HydrophobicContact CD1-CB 4.3Å; L477-L501 HydrophobicContact CD1-CD2 4.14Å; L477-L501 HydrophobicContact CD1-CG 3.96Å; L477-L501 HydrophobicContact CD2-CB 4.46Å; L477-L501 HydrophobicContact CD2-CD2 4.31Å; L477-L501 HydrophobicContact CG-CD2 4.22Å; L477-A502 HydrophobicContact CD1-CB 4.29Å; L477-A502 HydrophobicContact CD2-CB 4.48Å; L477-R505 HydrophobicContact CD1-CB 4.34Å; L477-I507 HydrophobicContact CB-CD1 4.01Å; L477-I507 HydrophobicContact CD1-CD1 4.15Å; L477-I507 VanDerWaalsContact O-CD1 3.32Å; L477-I507 WeakPolarHBondContact O-CD1 3.24Å
478	L	98.6	Very high	97.2	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-59.9	-32.1	174.3	-66.5	177.8	0	0	0	112.6	F294 F371 F386 F389 S390 T475 H476 L501 R505	F294-L478 HydrophobicContact CB-CD1 4.15Å; F294-L478 HydrophobicContact CD1-CD1 4.27Å; F294-L478 HydrophobicContact CG-CD1 4.45Å; F371-L478 HydrophobicContact CE2-CD1 4.23Å; F386-L478 HydrophobicContact CD1-CD2 3.78Å; F386-L478 HydrophobicContact CE1-CD2 4.47Å; F389-L478 HydrophobicContact CE1-CD1 4.23Å; S390-L478 WeakPolarHBondContact CB-O 3.07Å; S390-L478 PolarHBondContact OG-O 2.76Å; T475-L478 HydrophobicContact CG2-CD1 3.8Å; T475-L478 HydrophobicContact CG2-CG 4.39Å; T475-L478 WeakPolarHBondContact O-CB 3.17Å; T475-L478 WeakPolarHBondContact O-CG 3.07Å; T475-L478 PolarHBondContact O-N 3.41Å; H476-L478 PolarHBondContact O-N 3.42Å; L478-L501 HydrophobicContact CD2-CD1 4.01Å; L478-L501 HydrophobicContact CD2-CD2 4.2Å; L478-L501 HydrophobicContact CD2-CG 3.97Å; L478-L501 HydrophobicContact CG-CD2 4.31Å; L478-R505 WeakPolarHBondContact O-CD 3.41Å; L478-R505 PolarHBondContact O-NE 3.21Å
479	F	98.7	Very high	97.2	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-105.3	3.3	-171.6	-56.7	-63.3	0	0	0	113.7	M290 F294 F389 V393 L394 L457 T460 H461 H476 L477	M290-F479 HydrophobicContact CE-CD2 4.15Å; M290-F479 HydrophobicContact CE-CE2 3.88Å; F294-F479 AromaticContact CD1-CE2 3.95Å; F294-F479 HydrophobicContact CD1-CE2 3.95Å; F294-F479 AromaticContact CD1-CZ 3.8Å; F294-F479 HydrophobicContact CD1-CZ 3.8Å; F294-F479 AromaticContact CE1-CE2 3.6Å; F294-F479 HydrophobicContact CE1-CE2 3.6Å; F294-F479 AromaticContact CE1-CZ 3.41Å; F294-F479 HydrophobicContact CE1-CZ 3.41Å; F294-F479 VanDerWaalsContact CE1-CZ 3.41Å; F294-F479 HydrophobicContact CZ-CE2 4.12Å; F294-F479 HydrophobicContact CZ-CZ 4.28Å; F389-F479 HydrophobicContact CE1-CE1 4.21Å; F389-F479 AromaticContact CE1-CZ 3.95Å; F389-F479 HydrophobicContact CE1-CZ 3.95Å; F389-F479 HydrophobicContact CZ-CZ 4.49Å; V393-F479 HydrophobicContact CB-CE1 3.98Å; V393-F479 HydrophobicContact CG1-CE1 3.84Å; V393-F479 HydrophobicContact CG1-CZ 4.26Å; L394-F479 HydrophobicContact CD1-CB 4.5Å; L394-F479 HydrophobicContact CD1-CD1 4.17Å; L394-F479 HydrophobicContact CD2-CB 4.3Å; L394-F479 HydrophobicContact CD2-CD1 4.09Å; L394-F479 HydrophobicContact CG-CD1 3.93Å; L457-F479 HydrophobicContact CD2-CB 4.15Å; L457-F479 HydrophobicContact CD2-CD1 4.41Å; L457-F479 HydrophobicContact CD2-CD2 3.38Å; L457-F479 HydrophobicContact CD2-CE2 3.9Å; L457-F479 HydrophobicContact CD2-CG 3.69Å; T460-F479 HydrophobicContact CG2-CB 3.95Å; H461-F479 VanDerWaalsContact CA-O 3.31Å; H461-F479 WeakPolarHBondContact CA-O 3.45Å; H461-F479 PolarHBondContact ND1-O 2.69Å; H476-F479 PolarHBondContact O-N 2.93Å; L477-F479 PolarHBondContact O-N 3.26Å
480	L	98.8	Very high	97.2	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	4%	0.04	C	C	.	.	S	Bend	trans	-62.6	151.5	171.3	-66.4	174.6	0	0	0	111.2	T460 F466 L477 A484 I486 R505 I507	T460-L480 HydrophobicContact CG2-CD2 3.86Å; T460-L480 HydrophobicContact CG2-CG 4.27Å; T460-L480 WeakPolarHBondContact O-CD2 3.38Å; F466-L480 HydrophobicContact CB-CD1 3.89Å; F466-L480 HydrophobicContact CB-CD2 3.66Å; F466-L480 HydrophobicContact CB-CG 4.43Å; F466-L480 HydrophobicContact CD2-CD2 4.1Å; F466-L480 HydrophobicContact CG-CD2 4.05Å; L477-L480 HydrophobicContact CB-CD1 4.14Å; L477-L480 PolarHBondContact O-N 3.11Å; L480-A484 HydrophobicContact CB-CB 3.7Å; L480-A484 HydrophobicContact CD1-CB 4.22Å; L480-A484 HydrophobicContact CG-CB 4.37Å; L480-I486 HydrophobicContact CD1-CB 4.08Å; L480-I486 HydrophobicContact CD1-CD1 4.38Å; L480-R505 PolarHBondContact O-NH2 3.14Å; L480-I507 HydrophobicContact CB-CD1 4.27Å; L480-I507 HydrophobicContact CD1-CD1 3.75Å
481	P	97.9	Very high	97	Very high	3 Å²	3	6.6 Å²	6.6	2%	0.019	4%	0.043	C	C	.	.			trans	-66.8	156.3	173.6	29	-33.6	0	0	0	110.9	S463 W483 A484	S463-P481 VanDerWaalsContact O-CD 3.24Å; S463-P481 WeakPolarHBondContact O-CD 3.38Å; S463-P481 WeakPolarHBondContact O-CG 3.35Å; P481-W483 HydrophobicContact CB-CD2 3.96Å; P481-W483 HydrophobicContact CB-CE3 4.33Å; P481-W483 HydrophobicContact CB-CH2 4Å; P481-W483 HydrophobicContact CB-CZ2 3.57Å; P481-W483 HydrophobicContact CB-CZ3 4.35Å; P481-W483 HydrophobicContact CG-CD2 4.35Å; P481-W483 HydrophobicContact CG-CZ2 3.92Å; P481-W483 PolarHBondContact O-N 3.49Å; P481-A484 HydrophobicContact CG-CB 4.11Å; P481-A484 WeakPolarHBondContact O-CB 3.5Å; P481-A484 PolarHBondContact O-N 2.91Å
482	D	97.1	Very high	96.8	Very high	21 Å²	21	6.5 Å²	6.5	11%	0.112	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-13	-169.6	-74	-13.1	0	0	0	115.5	R387 R505 H559 K561	R387-D482 IonicContact CZ-OD2 2.87Å; R387-D482 IonicContact NE-OD1 3.68Å; R387-D482 PolarHBondContact NE-OD1 2.94Å; R387-D482 IonicContact NE-OD2 3.28Å; R387-D482 PolarHBondContact NE-OD2 2.98Å; R387-D482 IonicContact NH2-OD2 3.06Å; R387-D482 PolarHBondContact NH2-OD2 3.39Å; D482-R505 IonicContact OD1-CZ 3.73Å; D482-R505 IonicContact OD1-NH1 2.98Å; D482-R505 PolarHBondContact OD1-NH1 3.09Å; D482-R505 IonicContact OD1-NH2 3.52Å; D482-R505 PolarHBondContact OD1-NH2 3.12Å; D482-H559 PolarHBondContact O-CE1 2.63Å; D482-K561 HydrophobicContact CB-CD 3.54Å; D482-K561 IonicContact OD2-NZ 2.7Å; D482-K561 PolarHBondContact OD2-NZ 3.19Å
483	W	97.7	Very high	96.5	Very high	19 Å²	19	11.2 Å²	11.2	7%	0.072	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-3.9	175.4	53.3	77.7	0	0	0	113.8	P404 D464 P481 H559 K561 W562	P404-W483 HydrophobicContact CG-CH2 3.89Å; P404-W483 HydrophobicContact CG-CZ2 4.11Å; P404-W483 HydrophobicContact CG-CZ3 4.22Å; D464-W483 PolarHBondContact OD1-NE1 3.07Å; P481-W483 HydrophobicContact CB-CD2 3.96Å; P481-W483 HydrophobicContact CB-CE3 4.33Å; P481-W483 HydrophobicContact CB-CH2 4Å; P481-W483 HydrophobicContact CB-CZ2 3.57Å; P481-W483 HydrophobicContact CB-CZ3 4.35Å; P481-W483 HydrophobicContact CG-CD2 4.35Å; P481-W483 HydrophobicContact CG-CZ2 3.92Å; P481-W483 PolarHBondContact O-N 3.49Å; W483-H559 HydrophobicContact CB-CB 3.8Å; W483-H559 VanDerWaalsContact CB-ND1 3.33Å; W483-H559 WeakPolarHBondContact CB-ND1 3.41Å; W483-K561 HydrophobicContact CE3-CB 4.03Å; W483-W562 HydrophobicContact CB-CB 4.32Å; W483-W562 AromaticContact CD1-CE3 3.53Å; W483-W562 AromaticContact CD1-CZ3 3.96Å; W483-W562 AromaticContact CD2-CE3 3.9Å; W483-W562 HydrophobicContact CD2-CE3 3.9Å; W483-W562 AromaticContact CE2-CE3 3.54Å; W483-W562 AromaticContact CE2-CZ3 3.8Å; W483-W562 HydrophobicContact CG-CB 4.39Å; W483-W562 AromaticContact CG-CE3 3.87Å; W483-W562 HydrophobicContact CG-CE3 3.87Å; W483-W562 HydrophobicContact CZ2-CE3 4.13Å; W483-W562 HydrophobicContact CZ2-CZ3 4.17Å; W483-W562 AromaticContact NE1-CE3 3.32Å; W483-W562 VanDerWaalsContact NE1-CE3 3.32Å; W483-W562 AromaticContact NE1-CZ3 3.39Å
484	A	98.3	Very high	96	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.051	C	C	.	.			trans	-73.4	157.5	-164.5	0	0	0	0	0	114.2	D464 L480 P481 R508	D464-A484 VanDerWaalsContact O-CA 3.23Å; D464-A484 WeakPolarHBondContact O-CA 3.34Å; L480-A484 HydrophobicContact CB-CB 3.7Å; L480-A484 HydrophobicContact CD1-CB 4.22Å; L480-A484 HydrophobicContact CG-CB 4.37Å; P481-A484 HydrophobicContact CG-CB 4.11Å; P481-A484 WeakPolarHBondContact O-CB 3.5Å; P481-A484 PolarHBondContact O-N 2.91Å; A484-R508 PolarHBondContact O-N 2.95Å
485	V	98.8	Very high	95.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.9	169.1	-175.8	0	0	0	0	109.9	D464 I465 F466 R508 V510 A552 Y555 V556	D464-V485 PolarHBondContact O-N 2.84Å; I465-V485 WeakPolarHBondContact CA-O 3Å; F466-V485 PolarHBondContact N-O 3.35Å; V485-R508 CarbonylContact C-O 3.57Å; V485-R508 VanDerWaalsContact CA-O 3.3Å; V485-R508 WeakPolarHBondContact CA-O 3.31Å; V485-R508 HydrophobicContact CG1-CG 4.27Å; V485-R508 HydrophobicContact CG2-CB 4.07Å; V485-R508 HydrophobicContact CG2-CG 4.11Å; V485-V510 HydrophobicContact CG1-CB 4.48Å; V485-V510 HydrophobicContact CG1-CG1 4.02Å; V485-V510 HydrophobicContact CG1-CG2 3.68Å; V485-A552 HydrophobicContact CB-CB 3.94Å; V485-A552 HydrophobicContact CG1-CB 3.72Å; V485-A552 HydrophobicContact CG2-CB 3.93Å; V485-Y555 HydrophobicContact CG2-CD1 3.53Å; V485-Y555 HydrophobicContact CG2-CE1 4.22Å; V485-Y555 HydrophobicContact CG2-CG 4.3Å; V485-V556 HydrophobicContact CG2-CG2 4.01Å
486	I	98.6	Very high	95.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	116.6	169	179.9	65.1	0	0	0	108.9	F466 L474 L477 L480 A502 I507 R508 Y509 V510	F466-I486 HydrophobicContact CB-CD1 4.17Å; F466-I486 HydrophobicContact CD1-CD1 3.72Å; F466-I486 HydrophobicContact CG-CD1 4.41Å; L474-I486 HydrophobicContact CD2-CD1 4.21Å; L477-I486 HydrophobicContact CB-CB 4.28Å; L477-I486 HydrophobicContact CB-CD1 4.07Å; L477-I486 HydrophobicContact CB-CG1 3.91Å; L477-I486 HydrophobicContact CD2-CG1 4.16Å; L480-I486 HydrophobicContact CD1-CB 4.08Å; L480-I486 HydrophobicContact CD1-CD1 4.38Å; I486-A502 HydrophobicContact CG2-CB 3.91Å; I486-I507 HydrophobicContact CB-CD1 4.26Å; I486-I507 HydrophobicContact CG2-CD1 3.88Å; I486-I507 HydrophobicContact CG2-CG1 4.4Å; I486-R508 PolarHBondContact N-O 3.16Å; I486-Y509 HydrophobicContact CG2-CD2 4.18Å; I486-Y509 WeakPolarHBondContact O-CA 3.29Å; I486-V510 PolarHBondContact O-N 2.76Å
487	F	98.5	Very high	94.6	Very high	1 Å²	1	17.7 Å²	17.7	0%	0.004	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	103.3	177.2	-176.1	-173.5	0	0	0	110.2	F466 I467 G468 L489 V510 W512 F545 I548 V549	F466-F487 PolarHBondContact O-N 3.4Å; I467-F487 WeakPolarHBondContact CA-O 3.28Å; I467-F487 HydrophobicContact CD1-CD1 4.34Å; I467-F487 HydrophobicContact CG1-CB 4.19Å; I467-F487 HydrophobicContact CG1-CD1 4.26Å; I467-F487 HydrophobicContact CG2-CB 4.43Å; I467-F487 HydrophobicContact CG2-CD1 4.05Å; I467-F487 HydrophobicContact CG2-CG 4.37Å; G468-F487 PolarHBondContact N-O 2.79Å; F487-L489 HydrophobicContact CE1-CD2 4.09Å; F487-L489 HydrophobicContact CE2-CD2 4.25Å; F487-L489 HydrophobicContact CZ-CD2 3.89Å; F487-L489 PolarHBondContact O-N 2.88Å; F487-V510 WeakPolarHBondContact CA-O 3.41Å; F487-V510 HydrophobicContact CB-CG2 3.64Å; F487-V510 HydrophobicContact CD2-CG2 3.89Å; F487-V510 HydrophobicContact CG-CG2 3.82Å; F487-W512 AromaticContact CE2-CD1 3.7Å; F487-W512 AromaticContact CE2-NE1 3.54Å; F487-W512 AromaticContact CZ-CE2 3.98Å; F487-W512 HydrophobicContact CZ-CZ2 4.34Å; F487-W512 AromaticContact CZ-NE1 3.52Å; F487-F545 HydrophobicContact CD1-CE2 4.27Å; F487-F545 AromaticContact CE1-CD2 3.6Å; F487-F545 HydrophobicContact CE1-CD2 3.6Å; F487-F545 AromaticContact CE1-CE2 3.75Å; F487-F545 HydrophobicContact CE1-CE2 3.75Å; F487-F545 HydrophobicContact CZ-CD2 4.16Å; F487-I548 HydrophobicContact CD1-CG2 4Å; F487-I548 HydrophobicContact CD2-CG2 4.31Å; F487-I548 HydrophobicContact CE1-CB 4.06Å; F487-I548 HydrophobicContact CE1-CG2 3.65Å; F487-I548 HydrophobicContact CE2-CD1 4.39Å; F487-I548 HydrophobicContact CE2-CG2 4Å; F487-I548 HydrophobicContact CG-CG2 4.33Å; F487-I548 HydrophobicContact CZ-CB 4.06Å; F487-I548 HydrophobicContact CZ-CD1 3.93Å; F487-I548 HydrophobicContact CZ-CG2 3.66Å; F487-V549 HydrophobicContact CD1-CG2 3.96Å; F487-V549 HydrophobicContact CE1-CG2 3.99Å
488	E	97.9	Very high	94.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	106.7	169.7	-179.1	162.7	-142.3	0	0	109.8	G468 H470 L474 Y490 N491 Y498 Y509 V510 T511	G468-E488 WeakPolarHBondContact O-CA 3.44Å; H470-E488 VanDerWaalsContact CA-OE1 3.29Å; H470-E488 WeakPolarHBondContact CA-OE1 3.36Å; H470-E488 WeakPolarHBondContact CB-OE1 3.14Å; H470-E488 IonicContact CE1-OE1 3.64Å; H470-E488 IonicContact CG-OE1 2.68Å; H470-E488 VanDerWaalsContact CG-OE1 3.28Å; H470-E488 IonicContact ND1-OE1 3.74Å; H470-E488 PolarHBondContact ND1-OE1 2.77Å; L474-E488 HydrophobicContact CD1-CB 4.06Å; L474-E488 HydrophobicContact CD1-CG 3.77Å; E488-Y490 VanDerWaalsContact C-N 3.28Å; E488-Y490 PolarHBondContact O-N 3.12Å; E488-N491 HydrophobicContact CG-CB 4.41Å; E488-Y498 WeakPolarHBondContact OE1-CD2 3.35Å; E488-Y509 HydrophobicContact CB-CE2 3.73Å; E488-Y509 WeakPolarHBondContact OE2-CE2 3.42Å; E488-Y509 PolarHBondContact OE2-OH 2.88Å; E488-V510 PolarHBondContact N-O 3.47Å; E488-T511 WeakPolarHBondContact O-CB 3.49Å; E488-T511 PolarHBondContact O-OG1 2.9Å
489	L	96.3	Very high	94.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	-62.2	-30.4	-176.6	-82.5	174.1	0	0	0	113.6	I423 I467 G468 M469 F487 W512 F540 F545	I423-L489 HydrophobicContact CD1-CD1 3.46Å; I423-L489 VanDerWaalsContact CD1-CD1 3.46Å; I423-L489 HydrophobicContact CG1-CD1 3.94Å; I467-L489 HydrophobicContact CG2-CD1 3.88Å; I467-L489 HydrophobicContact CG2-CD2 4.1Å; I467-L489 HydrophobicContact CG2-CG 3.75Å; G468-L489 PolarHBondContact O-N 3.09Å; M469-L489 HydrophobicContact CG-CB 4.18Å; M469-L489 HydrophobicContact CG-CD1 4.33Å; M469-L489 HydrophobicContact SD-CB 3.55Å; M469-L489 VanDerWaalsContact SD-CB 3.55Å; F487-L489 HydrophobicContact CE1-CD2 4.09Å; F487-L489 HydrophobicContact CE2-CD2 4.25Å; F487-L489 HydrophobicContact CZ-CD2 3.89Å; F487-L489 PolarHBondContact O-N 2.88Å; L489-W512 HydrophobicContact CD2-CZ2 4.27Å; L489-W512 PolarHBondContact O-NE1 3.14Å; L489-F540 HydrophobicContact CB-CE1 4.22Å; L489-F540 HydrophobicContact CB-CE2 4.44Å; L489-F540 HydrophobicContact CB-CZ 4.04Å; L489-F540 HydrophobicContact CD1-CE2 4.48Å; L489-F540 HydrophobicContact CD2-CD1 4.49Å; L489-F540 HydrophobicContact CD2-CG 4.49Å; L489-F540 WeakPolarHBondContact O-CE1 3.4Å; L489-F545 HydrophobicContact CD2-CD2 3.79Å; L489-F545 HydrophobicContact CD2-CE2 3.85Å
490	Y	94.9	Very high	94.1	Very high	18 Å²	18	22.8 Å²	22.8	7%	0.071	11%	0.113	C	C	.	.			trans	-164	120.5	163.7	178.9	-133.9	0	0	0	109.6	H470 E488 C492 M515 V518 P533 Y538	H470-Y490 WeakPolarHBondContact CB-O 3.27Å; E488-Y490 VanDerWaalsContact C-N 3.28Å; E488-Y490 PolarHBondContact O-N 3.12Å; Y490-C492 HydrophobicContact CD1-CB 4.41Å; Y490-C492 VanDerWaalsContact CE1-CA 3.47Å; Y490-C492 HydrophobicContact CE1-CB 4.3Å; Y490-C492 PolarHBondContact O-N 3.09Å; Y490-C492 VanDerWaalsContact O-N 3.12Å; Y490-C492 PolarHBondContact O-SG 3.44Å; Y490-C492 VanDerWaalsContact O-SG 3.41Å; Y490-M515 HydrophobicContact CD2-CE 3.86Å; Y490-M515 HydrophobicContact CD2-SD 4.48Å; Y490-M515 HydrophobicContact CE2-CE 3.33Å; Y490-M515 HydrophobicContact CE2-SD 4.15Å; Y490-V518 HydrophobicContact CD1-CG1 4.25Å; Y490-V518 HydrophobicContact CD2-CG1 4.18Å; Y490-V518 HydrophobicContact CG-CG1 3.96Å; Y490-P533 HydrophobicContact CE1-CB 4.18Å; Y490-Y538 HydrophobicContact CD1-CD1 4.19Å; Y490-Y538 HydrophobicContact CD1-CD2 4.43Å; Y490-Y538 AromaticContact CD1-CE1 3.67Å; Y490-Y538 HydrophobicContact CD1-CE1 3.67Å; Y490-Y538 AromaticContact CD1-CE2 3.95Å; Y490-Y538 HydrophobicContact CD1-CE2 3.95Å; Y490-Y538 AromaticContact CD1-CZ 3.56Å; Y490-Y538 AromaticContact CE1-CE1 3.71Å; Y490-Y538 HydrophobicContact CE1-CE1 3.71Å; Y490-Y538 HydrophobicContact CE1-CE2 4.3Å; Y490-Y538 AromaticContact CE1-CZ 3.53Å; Y490-Y538 WeakPolarHBondContact CE1-OH 3.38Å
491	N	91.4	Very high	94	Very high	18 Å²	18	23 Å²	23	10%	0.096	11%	0.114	C	C	.	.			trans	-67.7	-3.7	-179.6	62.5	35.1	0	0	0	115	H470 E488 Q493 D494 E495	H470-N491 PolarHBondContact ND1-O 3.03Å; E488-N491 HydrophobicContact CG-CB 4.41Å; N491-Q493 PolarHBondContact O-N 3.48Å; N491-Q493 PolarHBondContact OD1-N 2.78Å; N491-D494 WeakPolarHBondContact O-CA 3.47Å; N491-D494 WeakPolarHBondContact O-CB 3.37Å; N491-D494 PolarHBondContact O-N 3.46Å; N491-E495 HydrophobicContact CB-CB 4.49Å
492	C	88.9	Confident	93.9	Very high	4 Å²	4	22.9 Å²	22.9	3%	0.027	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	36.9	-179.7	-55	0	0	0	0	114	R421 H470 Y490 D494 P533 K534	R421-C492 VanDerWaalsContact CD-SG 3.54Å; H470-C492 HydrophobicContact CB-CB 4.39Å; Y490-C492 HydrophobicContact CD1-CB 4.41Å; Y490-C492 VanDerWaalsContact CE1-CA 3.47Å; Y490-C492 HydrophobicContact CE1-CB 4.3Å; Y490-C492 PolarHBondContact O-N 3.09Å; Y490-C492 VanDerWaalsContact O-N 3.12Å; Y490-C492 PolarHBondContact O-SG 3.44Å; Y490-C492 VanDerWaalsContact O-SG 3.41Å; C492-D494 VanDerWaalsContact C-N 3.26Å; C492-D494 PolarHBondContact O-N 3.06Å; C492-P533 HydrophobicContact CB-CB 4.28Å; C492-K534 HydrophobicContact CB-CG 3.6Å
493	Q	86.9	Confident	93.9	Very high	125 Å²	125	23.7 Å²	23.7	58%	0.584	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.4	15.7	-175	-51.5	179.2	-2.4	0	0	115.2	N491 P533	N491-Q493 PolarHBondContact O-N 3.48Å; N491-Q493 PolarHBondContact OD1-N 2.78Å; Q493-P533 HydrophobicContact CG-CG 4Å
494	D	85.8	Confident	93.9	Very high	14 Å²	14	23 Å²	23	8%	0.075	11%	0.112	C	C	.	.			trans	-119.8	53.6	-178.6	-164.1	-2.2	0	0	0	110.6	H470 N491 C492 S496 C497 K534	H470-D494 IonicContact CE1-OD2 2.67Å; H470-D494 IonicContact NE2-OD2 3.78Å; N491-D494 WeakPolarHBondContact O-CA 3.47Å; N491-D494 WeakPolarHBondContact O-CB 3.37Å; N491-D494 PolarHBondContact O-N 3.46Å; C492-D494 VanDerWaalsContact C-N 3.26Å; C492-D494 PolarHBondContact O-N 3.06Å; D494-S496 VanDerWaalsContact C-N 3.35Å; D494-S496 PolarHBondContact O-N 3.25Å; D494-C497 WeakPolarHBondContact O-CB 3.13Å; D494-C497 PolarHBondContact O-N 2.71Å; D494-K534 IonicContact OD2-NZ 2.82Å; D494-K534 PolarHBondContact OD2-NZ 2.97Å
495	E	86.1	Confident	93.8	Very high	82 Å²	82	23.2 Å²	23.2	38%	0.383	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-38.4	-168.9	-166.4	-166.3	-179.5	0	0	113.8	N491 C497 R499	N491-E495 HydrophobicContact CB-CB 4.49Å; E495-C497 VanDerWaalsContact C-N 3.28Å; E495-C497 PolarHBondContact O-N 2.95Å; E495-R499 VanDerWaalsContact CD-CZ 3.5Å; E495-R499 WeakPolarHBondContact O-CB 3.32Å; E495-R499 IonicContact OE1-CZ 3.31Å; E495-R499 IonicContact OE1-NH1 3.41Å; E495-R499 PolarHBondContact OE1-NH1 3.4Å; E495-R499 IonicContact OE2-CZ 2.7Å; E495-R499 IonicContact OE2-NH1 3.51Å; E495-R499 PolarHBondContact OE2-NH1 3.27Å; E495-R499 IonicContact OE2-NH2 3.66Å
496	S	88.1	Confident	93.7	Very high	55 Å²	55	23.6 Å²	23.6	39%	0.385	12%	0.117	S	C	.	.	H	α-helix	trans	-66.8	-28.1	-176.6	-65.3	0	0	0	0	113.2	D494 R499 D500	D494-S496 VanDerWaalsContact C-N 3.35Å; D494-S496 PolarHBondContact O-N 3.25Å; S496-R499 PolarHBondContact OG-NH2 3.1Å; S496-D500 WeakPolarHBondContact CB-OD2 3.36Å; S496-D500 WeakPolarHBondContact O-CB 3.01Å; S496-D500 PolarHBondContact O-N 2.74Å
497	C	88.6	Confident	93.6	Very high	12 Å²	12	24.1 Å²	24.1	8%	0.081	12%	0.12	C	C	.	.	H	α-helix	trans	-53.7	-62.6	-170.3	179.9	0	0	0	0	113.7	Y291 D494 E495	Y291-C497 PolarHBondContact OH-SG 3.41Å; Y291-C497 VanDerWaalsContact OH-SG 3.41Å; D494-C497 WeakPolarHBondContact O-CB 3.13Å; D494-C497 PolarHBondContact O-N 2.71Å; E495-C497 VanDerWaalsContact C-N 3.28Å; E495-C497 PolarHBondContact O-N 2.95Å
498	Y	94.9	Very high	93.6	Very high	6 Å²	6	30.3 Å²	30.3	2%	0.024	14%	0.143	C	C	.	.	H	α-helix	trans	-89.2	-23	179.1	-63.8	-75.9	0	0	0	113	Y291 H470 G471 A472 L474 L477 E488 A502	Y291-Y498 AromaticContact CD2-CE1 3.63Å; Y291-Y498 HydrophobicContact CD2-CE1 3.63Å; Y291-Y498 AromaticContact CD2-CZ 3.88Å; Y291-Y498 HydrophobicContact CE2-CD1 4.5Å; Y291-Y498 AromaticContact CE2-CE1 3.93Å; Y291-Y498 HydrophobicContact CE2-CE1 3.93Å; H470-Y498 AromaticContact CE1-CD2 3.97Å; H470-Y498 AromaticContact CE1-CE2 3.64Å; H470-Y498 AromaticContact ND1-CD2 3.63Å; H470-Y498 AromaticContact ND1-CE2 3.53Å; G471-Y498 PolarHBondContact O-OH 3.39Å; A472-Y498 PolarHBondContact N-OH 3.34Å; L474-Y498 HydrophobicContact CB-CD1 3.55Å; L474-Y498 HydrophobicContact CB-CD2 4.25Å; L474-Y498 HydrophobicContact CB-CE1 3.58Å; L474-Y498 HydrophobicContact CB-CE2 4.3Å; L474-Y498 HydrophobicContact CB-CG 3.91Å; L474-Y498 HydrophobicContact CD1-CD2 3.97Å; L474-Y498 HydrophobicContact CD1-CE2 4.36Å; L474-Y498 HydrophobicContact CD1-CG 4.14Å; L477-Y498 HydrophobicContact CD2-CD1 3.81Å; L477-Y498 HydrophobicContact CD2-CG 4.36Å; E488-Y498 WeakPolarHBondContact OE1-CD2 3.35Å; Y498-A502 VanDerWaalsContact O-CB 3.28Å; Y498-A502 WeakPolarHBondContact O-CB 3.41Å; Y498-A502 PolarHBondContact O-N 3.15Å
499	R	95.1	Very high	93.6	Very high	67 Å²	67	31.8 Å²	31.8	25%	0.253	15%	0.149	S	C	.	.	H	α-helix	trans	-60.4	-48	172.5	-177.8	179.1	64.9	-171.8	-9.8	111.6	E495 S496 A502 R503 Y509	E495-R499 VanDerWaalsContact CD-CZ 3.5Å; E495-R499 WeakPolarHBondContact O-CB 3.32Å; E495-R499 IonicContact OE1-CZ 3.31Å; E495-R499 IonicContact OE1-NH1 3.41Å; E495-R499 PolarHBondContact OE1-NH1 3.4Å; E495-R499 IonicContact OE2-CZ 2.7Å; E495-R499 IonicContact OE2-NH1 3.51Å; E495-R499 PolarHBondContact OE2-NH1 3.27Å; E495-R499 IonicContact OE2-NH2 3.66Å; S496-R499 PolarHBondContact OG-NH2 3.1Å; R499-A502 PolarHBondContact O-N 2.98Å; R499-R503 WeakPolarHBondContact O-CD 3.4Å; R499-R503 WeakPolarHBondContact O-CG 3.27Å; R499-R503 PolarHBondContact O-N 3.21Å; R499-Y509 HydrophobicContact CB-CD1 3.98Å; R499-Y509 HydrophobicContact CB-CD2 4.31Å; R499-Y509 HydrophobicContact CB-CE1 3.86Å; R499-Y509 HydrophobicContact CB-CE2 4.2Å; R499-Y509 HydrophobicContact CB-CG 4.21Å; R499-Y509 HydrophobicContact CG-CD1 3.87Å; R499-Y509 HydrophobicContact CG-CE1 4.04Å; R499-Y509 HydrophobicContact CG-CG 4.35Å
500	D	95	Very high	93.6	Very high	34 Å²	34	33 Å²	33	18%	0.182	16%	0.157	C	C	.	.	H	α-helix	trans	-75.3	-34.5	-177.7	-67.6	-17.7	0	0	0	111.5	L376 S496 A502 R503 L504	L376-D500 HydrophobicContact CD2-CB 3.74Å; S496-D500 WeakPolarHBondContact CB-OD2 3.36Å; S496-D500 WeakPolarHBondContact O-CB 3.01Å; S496-D500 PolarHBondContact O-N 2.74Å; D500-A502 VanDerWaalsContact C-N 3.33Å; D500-A502 PolarHBondContact O-N 2.93Å; D500-R503 PolarHBondContact O-N 3.05Å; D500-R503 IonicContact OD1-CZ 3.54Å; D500-R503 IonicContact OD1-NE 3.74Å; D500-R503 IonicContact OD1-NH1 3.55Å; D500-R503 PolarHBondContact OD1-NH1 3.43Å; D500-L504 WeakPolarHBondContact O-CB 3.38Å; D500-L504 VanDerWaalsContact O-CG 3.31Å; D500-L504 WeakPolarHBondContact O-CG 3.22Å; D500-L504 PolarHBondContact O-N 3.02Å
501	L	96.2	Very high	93.7	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.026	16%	0.159	C	C	.	.	H	α-helix	trans	-62.8	-38.7	171.3	-164.3	67.5	0	0	0	112.2	Y291 F371 F386 T475 L477 L478 L504 R505	Y291-L501 HydrophobicContact CD2-CD2 4.47Å; Y291-L501 HydrophobicContact CE2-CD2 4.15Å; F371-L501 HydrophobicContact CD2-CD1 3.96Å; F371-L501 HydrophobicContact CE2-CD1 3.88Å; F371-L501 HydrophobicContact CE2-CD2 4.5Å; F371-L501 HydrophobicContact CG-CD1 4.36Å; F371-L501 HydrophobicContact CZ-CD1 4.22Å; F371-L501 HydrophobicContact CZ-CD2 4.3Å; F386-L501 HydrophobicContact CD1-CD1 4.18Å; F386-L501 HydrophobicContact CE1-CD1 3.72Å; T475-L501 HydrophobicContact CG2-CD2 4.43Å; L477-L501 HydrophobicContact CD1-CB 4.3Å; L477-L501 HydrophobicContact CD1-CD2 4.14Å; L477-L501 HydrophobicContact CD1-CG 3.96Å; L477-L501 HydrophobicContact CD2-CB 4.46Å; L477-L501 HydrophobicContact CD2-CD2 4.31Å; L477-L501 HydrophobicContact CG-CD2 4.22Å; L478-L501 HydrophobicContact CD2-CD1 4.01Å; L478-L501 HydrophobicContact CD2-CD2 4.2Å; L478-L501 HydrophobicContact CD2-CG 3.97Å; L478-L501 HydrophobicContact CG-CD2 4.31Å; L501-L504 PolarHBondContact O-N 2.91Å; L501-R505 WeakPolarHBondContact O-CB 3.22Å; L501-R505 PolarHBondContact O-N 3.39Å
502	A	97.2	Very high	93.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-67	-37.5	173.9	0	0	0	0	0	112.8	L477 I486 Y498 R499 D500 R505 G506 I507 Y509	L477-A502 HydrophobicContact CD1-CB 4.29Å; L477-A502 HydrophobicContact CD2-CB 4.48Å; I486-A502 HydrophobicContact CG2-CB 3.91Å; Y498-A502 VanDerWaalsContact O-CB 3.28Å; Y498-A502 WeakPolarHBondContact O-CB 3.41Å; Y498-A502 PolarHBondContact O-N 3.15Å; R499-A502 PolarHBondContact O-N 2.98Å; D500-A502 VanDerWaalsContact C-N 3.33Å; D500-A502 PolarHBondContact O-N 2.93Å; A502-R505 PolarHBondContact O-N 2.67Å; A502-G506 PolarHBondContact O-N 2.94Å; A502-I507 HydrophobicContact CB-CG1 4.11Å; A502-I507 PolarHBondContact O-N 3.11Å; A502-I507 VanDerWaalsContact O-N 3.11Å; A502-Y509 HydrophobicContact CB-CD2 4.5Å
503	R	96.6	Very high	93.6	Very high	38 Å²	38	39.3 Å²	39.3	14%	0.143	19%	0.186	C	C	.	.	H	α-helix	trans	-69.4	-31.3	175.3	-68.5	164.2	65.1	-153.3	-2.3	113.1	L376 V377 C380 H381 T382 R499 D500	L376-R503 HydrophobicContact CD2-CB 4.09Å; V377-R503 PolarHBondContact O-NH2 2.95Å; C380-R503 VanDerWaalsContact O-CZ 3.31Å; C380-R503 PolarHBondContact O-NE 2.86Å; C380-R503 PolarHBondContact O-NH2 3.34Å; H381-R503 WeakPolarHBondContact CA-O 3.47Å; H381-R503 HydrophobicContact CB-CB 4.19Å; H381-R503 HydrophobicContact CB-CG 4.49Å; H381-R503 WeakPolarHBondContact CB-O 3.49Å; T382-R503 PolarHBondContact N-O 2.98Å; R499-R503 WeakPolarHBondContact O-CD 3.4Å; R499-R503 WeakPolarHBondContact O-CG 3.27Å; R499-R503 PolarHBondContact O-N 3.21Å; D500-R503 PolarHBondContact O-N 3.05Å; D500-R503 IonicContact OD1-CZ 3.54Å; D500-R503 IonicContact OD1-NE 3.74Å; D500-R503 IonicContact OD1-NH1 3.55Å; D500-R503 PolarHBondContact OD1-NH1 3.43Å
504	L	96.9	Very high	93.7	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.026	18%	0.177	C	C	.	.	H	α-helix	trans	-69.8	-43.1	170.8	-76.9	168.2	0	0	0	111.7	A163 L370 L376 F386 D500 L501	A163-L504 HydrophobicContact CB-CD2 3.55Å; A163-L504 WeakPolarHBondContact O-CD2 3.27Å; L370-L504 HydrophobicContact CD1-CD1 4.49Å; L370-L504 HydrophobicContact CD1-CD2 3.97Å; L376-L504 HydrophobicContact CD1-CD2 3.69Å; L376-L504 HydrophobicContact CD1-CG 4.03Å; L376-L504 HydrophobicContact CD2-CG 4.43Å; F386-L504 HydrophobicContact CB-CB 4.49Å; F386-L504 WeakPolarHBondContact CB-O 3.38Å; F386-L504 HydrophobicContact CD1-CB 4.3Å; F386-L504 HydrophobicContact CD2-CB 3.74Å; F386-L504 HydrophobicContact CD2-CD2 4.14Å; F386-L504 HydrophobicContact CD2-CG 4.37Å; F386-L504 HydrophobicContact CE1-CB 4.46Å; F386-L504 HydrophobicContact CE1-CD1 4.35Å; F386-L504 HydrophobicContact CE2-CB 3.93Å; F386-L504 HydrophobicContact CE2-CD1 3.91Å; F386-L504 HydrophobicContact CE2-CD2 3.83Å; F386-L504 HydrophobicContact CE2-CG 4.11Å; F386-L504 HydrophobicContact CG-CB 3.94Å; F386-L504 HydrophobicContact CZ-CB 4.3Å; F386-L504 HydrophobicContact CZ-CD1 3.79Å; F386-L504 HydrophobicContact CZ-CG 4.45Å; D500-L504 WeakPolarHBondContact O-CB 3.38Å; D500-L504 VanDerWaalsContact O-CG 3.31Å; D500-L504 WeakPolarHBondContact O-CG 3.22Å; D500-L504 PolarHBondContact O-N 3.02Å; L501-L504 PolarHBondContact O-N 2.91Å
505	R	97	Very high	93.8	Very high	3 Å²	3	41.4 Å²	41.4	1%	0.011	20%	0.195	C	C	.	.	H	α-helix	trans	-72.5	-26.5	177.3	174.8	56.7	-172.5	88.6	-0.3	113.7	F386 L477 L478 L480 D482 L501 A502 I507	F386-R505 HydrophobicContact CB-CB 4.31Å; L477-R505 HydrophobicContact CD1-CB 4.34Å; L478-R505 WeakPolarHBondContact O-CD 3.41Å; L478-R505 PolarHBondContact O-NE 3.21Å; L480-R505 PolarHBondContact O-NH2 3.14Å; D482-R505 IonicContact OD1-CZ 3.73Å; D482-R505 IonicContact OD1-NH1 2.98Å; D482-R505 PolarHBondContact OD1-NH1 3.09Å; D482-R505 IonicContact OD1-NH2 3.52Å; D482-R505 PolarHBondContact OD1-NH2 3.12Å; L501-R505 WeakPolarHBondContact O-CB 3.22Å; L501-R505 PolarHBondContact O-N 3.39Å; A502-R505 PolarHBondContact O-N 2.67Å; R505-I507 HydrophobicContact CB-CG1 4.38Å; R505-I507 HydrophobicContact CG-CD1 4.41Å; R505-I507 HydrophobicContact CG-CG1 4.09Å; R505-I507 HydrophobicContact CG-CG2 4.22Å
506	G	96.4	Very high	94	Very high	8 Å²	8	43 Å²	43	8%	0.082	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	38.1	-179	0	0	0	0	0	113.9	T382 A502	T382-G506 WeakPolarHBondContact O-CA 3.42Å; T382-G506 PolarHBondContact O-N 2.87Å; T382-G506 VanDerWaalsContact O-N 3.13Å; A502-G506 PolarHBondContact O-N 2.94Å
507	I	97.4	Very high	94.2	Very high	12 Å²	12	43.2 Å²	43.2	6%	0.062	20%	0.201	C	C	.	.			trans	-122.6	161.7	175.6	57.4	163.3	0	0	0	111.4	L477 L480 I486 A502 R505 Y509	L477-I507 HydrophobicContact CB-CD1 4.01Å; L477-I507 HydrophobicContact CD1-CD1 4.15Å; L477-I507 VanDerWaalsContact O-CD1 3.32Å; L477-I507 WeakPolarHBondContact O-CD1 3.24Å; L480-I507 HydrophobicContact CB-CD1 4.27Å; L480-I507 HydrophobicContact CD1-CD1 3.75Å; I486-I507 HydrophobicContact CB-CD1 4.26Å; I486-I507 HydrophobicContact CG2-CD1 3.88Å; I486-I507 HydrophobicContact CG2-CG1 4.4Å; A502-I507 HydrophobicContact CB-CG1 4.11Å; A502-I507 PolarHBondContact O-N 3.11Å; A502-I507 VanDerWaalsContact O-N 3.11Å; R505-I507 HydrophobicContact CB-CG1 4.38Å; R505-I507 HydrophobicContact CG-CD1 4.41Å; R505-I507 HydrophobicContact CG-CG1 4.09Å; R505-I507 HydrophobicContact CG-CG2 4.22Å; I507-Y509 PolarHBondContact O-N 2.7Å
508	R	97.7	Very high	94.4	Very high	131 Å²	131	43.1 Å²	43.1	49%	0.494	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	112.5	-174.9	-179.1	63.1	177.9	-171.5	0.2	111.2	A484 V485 I486 V510 Y555	A484-R508 PolarHBondContact O-N 2.95Å; V485-R508 CarbonylContact C-O 3.57Å; V485-R508 VanDerWaalsContact CA-O 3.3Å; V485-R508 WeakPolarHBondContact CA-O 3.31Å; V485-R508 HydrophobicContact CG1-CG 4.27Å; V485-R508 HydrophobicContact CG2-CB 4.07Å; V485-R508 HydrophobicContact CG2-CG 4.11Å; I486-R508 PolarHBondContact N-O 3.16Å; R508-V510 HydrophobicContact CG-CG1 4.36Å; R508-Y555 HydrophobicContact CB-CD1 4.01Å; R508-Y555 HydrophobicContact CB-CE1 3.49Å; R508-Y555 VanDerWaalsContact CB-CE1 3.49Å; R508-Y555 HydrophobicContact CB-CE2 4.42Å; R508-Y555 HydrophobicContact CG-CD1 4.13Å; R508-Y555 HydrophobicContact CG-CD2 4.44Å; R508-Y555 HydrophobicContact CG-CE1 4.02Å; R508-Y555 HydrophobicContact CG-CE2 4.34Å; R508-Y555 HydrophobicContact CG-CG 4.34Å
509	Y	97.8	Very high	94.4	Very high	30 Å²	30	47.3 Å²	47.3	12%	0.118	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	137.5	169.2	173.9	-87.4	0	0	0	111.7	I486 E488 R499 A502 I507 T511	I486-Y509 HydrophobicContact CG2-CD2 4.18Å; I486-Y509 WeakPolarHBondContact O-CA 3.29Å; E488-Y509 HydrophobicContact CB-CE2 3.73Å; E488-Y509 WeakPolarHBondContact OE2-CE2 3.42Å; E488-Y509 PolarHBondContact OE2-OH 2.88Å; R499-Y509 HydrophobicContact CB-CD1 3.98Å; R499-Y509 HydrophobicContact CB-CD2 4.31Å; R499-Y509 HydrophobicContact CB-CE1 3.86Å; R499-Y509 HydrophobicContact CB-CE2 4.2Å; R499-Y509 HydrophobicContact CB-CG 4.21Å; R499-Y509 HydrophobicContact CG-CD1 3.87Å; R499-Y509 HydrophobicContact CG-CE1 4.04Å; R499-Y509 HydrophobicContact CG-CG 4.35Å; A502-Y509 HydrophobicContact CB-CD2 4.5Å; I507-Y509 PolarHBondContact O-N 2.7Å; Y509-T511 HydrophobicContact CE1-CG2 3.84Å; Y509-T511 WeakPolarHBondContact OH-CB 3.41Å
510	V	97.3	Very high	94.4	Very high	27 Å²	27	47.7 Å²	47.7	16%	0.164	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	150.4	169	-58.9	0	0	0	0	110.9	V485 I486 F487 E488 R508 I548	V485-V510 HydrophobicContact CG1-CB 4.48Å; V485-V510 HydrophobicContact CG1-CG1 4.02Å; V485-V510 HydrophobicContact CG1-CG2 3.68Å; I486-V510 PolarHBondContact O-N 2.76Å; F487-V510 WeakPolarHBondContact CA-O 3.41Å; F487-V510 HydrophobicContact CB-CG2 3.64Å; F487-V510 HydrophobicContact CD2-CG2 3.89Å; F487-V510 HydrophobicContact CG-CG2 3.82Å; E488-V510 PolarHBondContact N-O 3.47Å; R508-V510 HydrophobicContact CG-CG1 4.36Å; V510-I548 HydrophobicContact CB-CG2 4.43Å; V510-I548 HydrophobicContact CG2-CG2 3.98Å
511	T	95.8	Very high	94.3	Very high	21 Å²	21	50.3 Å²	50.3	13%	0.129	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	-178.1	172.3	-165.3	0	0	0	0	109.2	E488 Y509	E488-T511 WeakPolarHBondContact O-CB 3.49Å; E488-T511 PolarHBondContact O-OG1 2.9Å; Y509-T511 HydrophobicContact CE1-CG2 3.84Å; Y509-T511 WeakPolarHBondContact OH-CB 3.41Å
512	W	92	Very high	93.9	Very high	15 Å²	15	52.5 Å²	52.5	6%	0.057	26%	0.256	C	S	.	.			trans	-69.5	134.1	-174.6	-71.4	70.8	0	0	0	112.7	F487 L489 K517 V518 F540 D541 E544 F545 I548	F487-W512 AromaticContact CE2-CD1 3.7Å; F487-W512 AromaticContact CE2-NE1 3.54Å; F487-W512 AromaticContact CZ-CE2 3.98Å; F487-W512 HydrophobicContact CZ-CZ2 4.34Å; F487-W512 AromaticContact CZ-NE1 3.52Å; L489-W512 HydrophobicContact CD2-CZ2 4.27Å; L489-W512 PolarHBondContact O-NE1 3.14Å; W512-K517 HydrophobicContact CE3-CB 3.87Å; W512-K517 HydrophobicContact CZ3-CB 3.59Å; W512-V518 HydrophobicContact CB-CG2 3.98Å; W512-V518 HydrophobicContact CD2-CG2 3.78Å; W512-V518 HydrophobicContact CE3-CG2 4.06Å; W512-V518 HydrophobicContact CG-CG2 3.73Å; W512-F540 HydrophobicContact CD2-CD1 4.47Å; W512-F540 AromaticContact CE2-CD1 3.64Å; W512-F540 HydrophobicContact CH2-CB 3.85Å; W512-F540 HydrophobicContact CH2-CD1 4.14Å; W512-F540 HydrophobicContact CH2-CG 4.47Å; W512-F540 HydrophobicContact CZ2-CB 3.68Å; W512-F540 AromaticContact CZ2-CD1 3.47Å; W512-F540 HydrophobicContact CZ2-CD1 3.47Å; W512-F540 VanDerWaalsContact CZ2-CD1 3.47Å; W512-F540 HydrophobicContact CZ2-CE1 4.5Å; W512-F540 AromaticContact CZ2-CG 3.91Å; W512-F540 HydrophobicContact CZ2-CG 3.91Å; W512-F540 AromaticContact NE1-CD1 3.83Å; W512-D541 HydrophobicContact CH2-CB 4.29Å; W512-D541 WeakPolarHBondContact CH2-O 3.35Å; W512-D541 HydrophobicContact CZ3-CB 4.14Å; W512-E544 HydrophobicContact CE3-CB 4.46Å; W512-E544 HydrophobicContact CE3-CG 3.74Å; W512-E544 HydrophobicContact CH2-CB 4.31Å; W512-E544 HydrophobicContact CH2-CG 4.35Å; W512-E544 HydrophobicContact CZ3-CB 3.69Å; W512-E544 HydrophobicContact CZ3-CG 3.46Å; W512-E544 VanDerWaalsContact CZ3-CG 3.46Å; W512-F545 HydrophobicContact CH2-CB 3.9Å; W512-F545 HydrophobicContact CZ2-CB 3.99Å; W512-F545 HydrophobicContact CZ2-CD2 4.39Å; W512-I548 HydrophobicContact CD2-CD1 4.45Å
513	Q	86.6	Confident	93.3	Very high	135 Å²	135	59.5 Å²	59.5	63%	0.631	29%	0.286	S	S	*	.	S	Bend	trans	-92.8	-24.5	177.6	-65.6	167.6	-6.4	0	0	111.9
514	K	88.8	Confident	92.6	Very high	91 Å²	91	57.7 Å²	57.7	40%	0.396	28%	0.279	S	S	.	.			trans	-116.4	100.8	-177.9	-65.3	177	-167.8	150.5	0	109.7	D516 K517 E544	K514-D516 VanDerWaalsContact C-N 3.28Å; K514-D516 WeakPolarHBondContact CB-OD1 3.37Å; K514-D516 PolarHBondContact O-N 2.77Å; K514-K517 HydrophobicContact CB-CB 4.32Å; K514-K517 HydrophobicContact CB-CG 3.83Å; K514-K517 HydrophobicContact CD-CG 4.35Å; K514-K517 WeakPolarHBondContact O-CB 3.44Å; K514-K517 PolarHBondContact O-N 3.26Å; K514-K517 VanDerWaalsContact O-N 3.16Å; K514-E544 IonicContact NZ-OE1 3.28Å; K514-E544 IonicContact NZ-OE2 2.69Å; K514-E544 PolarHBondContact NZ-OE2 3.46Å
515	M	88	Confident	91.9	Very high	93 Å²	93	62.8 Å²	62.8	46%	0.458	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-71.3	-22.2	-175.3	-75.5	-52.8	-43.7	0	0	113.8	Y490 K517 V518	Y490-M515 HydrophobicContact CD2-CE 3.86Å; Y490-M515 HydrophobicContact CD2-SD 4.48Å; Y490-M515 HydrophobicContact CE2-CE 3.33Å; Y490-M515 HydrophobicContact CE2-SD 4.15Å; M515-K517 PolarHBondContact O-N 3.39Å; M515-V518 HydrophobicContact CE-CB 3.91Å; M515-V518 HydrophobicContact CE-CG1 4.3Å; M515-V518 HydrophobicContact CE-CG2 4.03Å; M515-V518 PolarHBondContact O-N 3.28Å
516	D	90.8	Very high	91	Very high	114 Å²	114	63.7 Å²	63.7	61%	0.61	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-63.2	-17.1	170.1	58.6	-66.6	0	0	0	113.4	K514	K514-D516 VanDerWaalsContact C-N 3.28Å; K514-D516 WeakPolarHBondContact CB-OD1 3.37Å; K514-D516 PolarHBondContact O-N 2.77Å
517	K	92	Very high	89.9	Confident	61 Å²	61	68.8 Å²	68.8	27%	0.265	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-94.2	1	178.2	-59.9	-55.2	-154.7	154.4	0	114.3	W512 K514 M515 D541	W512-K517 HydrophobicContact CE3-CB 3.87Å; W512-K517 HydrophobicContact CZ3-CB 3.59Å; K514-K517 HydrophobicContact CB-CB 4.32Å; K514-K517 HydrophobicContact CB-CG 3.83Å; K514-K517 HydrophobicContact CD-CG 4.35Å; K514-K517 WeakPolarHBondContact O-CB 3.44Å; K514-K517 PolarHBondContact O-N 3.26Å; K514-K517 VanDerWaalsContact O-N 3.16Å; M515-K517 PolarHBondContact O-N 3.39Å; K517-D541 HydrophobicContact CB-CB 3.74Å; K517-D541 HydrophobicContact CD-CB 3.87Å; K517-D541 WeakPolarHBondContact CD-OD2 3.06Å; K517-D541 WeakPolarHBondContact CE-OD2 3.46Å; K517-D541 HydrophobicContact CG-CB 4.17Å; K517-D541 IonicContact NZ-OD2 3.46Å; K517-D541 PolarHBondContact NZ-OD2 3.31Å; K517-D541 PolarHBondContact O-N 3.37Å
518	V	93.4	Very high	88.9	Confident	9 Å²	9	73.8 Å²	73.8	6%	0.055	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	108.2	173.3	177.4	0	0	0	0	108.3	Y490 W512 M515 P520 Y538 F540	Y490-V518 HydrophobicContact CD1-CG1 4.25Å; Y490-V518 HydrophobicContact CD2-CG1 4.18Å; Y490-V518 HydrophobicContact CG-CG1 3.96Å; W512-V518 HydrophobicContact CB-CG2 3.98Å; W512-V518 HydrophobicContact CD2-CG2 3.78Å; W512-V518 HydrophobicContact CE3-CG2 4.06Å; W512-V518 HydrophobicContact CG-CG2 3.73Å; M515-V518 HydrophobicContact CE-CB 3.91Å; M515-V518 HydrophobicContact CE-CG1 4.3Å; M515-V518 HydrophobicContact CE-CG2 4.03Å; M515-V518 PolarHBondContact O-N 3.28Å; V518-P520 VanDerWaalsContact O-CD 3.26Å; V518-P520 WeakPolarHBondContact O-CD 3.41Å; V518-Y538 HydrophobicContact CG1-CD1 3.64Å; V518-Y538 HydrophobicContact CG1-CE1 4.05Å; V518-F540 HydrophobicContact CB-CE1 4.43Å; V518-F540 HydrophobicContact CG1-CD1 4.5Å; V518-F540 HydrophobicContact CG1-CE1 3.84Å; V518-F540 HydrophobicContact CG2-CD1 4.26Å; V518-F540 HydrophobicContact CG2-CE1 4.12Å
519	L	94.8	Very high	87.7	Confident	95 Å²	95	72.6 Å²	72.6	50%	0.497	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	102.1	-168.5	-58.5	177	0	0	0	110.7	Y538 S539	L519-Y538 WeakPolarHBondContact O-CA 3.31Å; L519-S539 PolarHBondContact N-O 2.94Å; L519-S539 PolarHBondContact O-N 2.04Å
520	P	94.3	Very high	87	Confident	75 Å²	75	72.9 Å²	72.9	49%	0.487	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	148.5	174.4	29.3	-34.9	0	0	0	111.4	V518 D522 T536 N537 Y538	V518-P520 VanDerWaalsContact O-CD 3.26Å; V518-P520 WeakPolarHBondContact O-CD 3.41Å; P520-D522 WeakPolarHBondContact CB-O 3.17Å; P520-T536 HydrophobicContact CB-CG2 4.06Å; P520-N537 CarbonylContact C-O 3.58Å; P520-Y538 HydrophobicContact CB-CD1 4.11Å; P520-Y538 HydrophobicContact CB-CE1 3.68Å
521	Q	92.9	Very high	86.5	Confident	88 Å²	88	76.2 Å²	76.2	41%	0.411	40%	0.402	S	S	.	.	S	Bend	trans	-67.3	-41.5	174.1	-178	-172.6	-78.5	0	0	111.7	N537	Q521-N537 HydrophobicContact CB-CB 4.26Å; Q521-N537 WeakPolarHBondContact CB-O 3.36Å; Q521-N537 PolarHBondContact N-O 3.34Å
522	D	89	Confident	86	Confident	52 Å²	52	77.5 Å²	77.5	28%	0.278	41%	0.406	S	S	.	.	S	Bend	trans	-157.9	-175.8	-177.8	51	58.8	0	0	0	107.9	P520 G524 H525 T536	P520-D522 WeakPolarHBondContact CB-O 3.17Å; D522-G524 PolarHBondContact O-N 3.07Å; D522-G524 WeakPolarHBondContact OD1-CA 3.08Å; D522-G524 PolarHBondContact OD1-N 3.3Å; D522-H525 IonicContact OD1-CE1 3.33Å; D522-H525 IonicContact OD1-ND1 2.9Å; D522-T536 VanDerWaalsContact CG-OG1 3.23Å; D522-T536 PolarHBondContact N-OG1 3.13Å; D522-T536 PolarHBondContact O-OG1 2.9Å; D522-T536 VanDerWaalsContact OD1-CB 3.27Å; D522-T536 WeakPolarHBondContact OD1-CB 3.48Å; D522-T536 PolarHBondContact OD1-OG1 3.44Å
523	K	84.5	Confident	85.7	Confident	146 Å²	146	77.7 Å²	77.7	64%	0.635	41%	0.41	S	S	*	.	S	Bend	trans	-72.9	-7.7	-178.3	-56.5	-167.2	-175.1	177.1	0	114.5	D531 H532	K523-D531 HydrophobicContact CB-CB 4.11Å; K523-D531 WeakPolarHBondContact CB-OD1 3.17Å; K523-D531 VanDerWaalsContact CD-CG 3.45Å; K523-D531 WeakPolarHBondContact CD-OD2 3.39Å; K523-D531 IonicContact NZ-OD2 2.75Å; K523-D531 PolarHBondContact NZ-OD2 2.94Å; K523-H532 PolarHBondContact O-N 2.77Å
524	G	82.5	Confident	85.7	Confident	0 Å²	0	73 Å²	73	0%	0	39%	0.387	C	S	.	.			trans	74.9	149.9	-168.7	0	0	0	0	0	112.7	D522 D531 F535	D522-G524 PolarHBondContact O-N 3.07Å; D522-G524 WeakPolarHBondContact OD1-CA 3.08Å; D522-G524 PolarHBondContact OD1-N 3.3Å; G524-D531 WeakPolarHBondContact O-CA 3.46Å; G524-F535 WeakPolarHBondContact CA-O 3.26Å
525	H	80.9	Confident	85.8	Confident	112 Å²	112	69.9 Å²	69.9	52%	0.519	37%	0.374	S	S	.	.			trans	-133.8	84.4	-171	-56.2	93.1	0	0	0	110.2	D522 F535	D522-H525 IonicContact OD1-CE1 3.33Å; D522-H525 IonicContact OD1-ND1 2.9Å; H525-F535 PolarHBondContact N-O 2.78Å
526	H	79.1	Confident	86	Confident	22 Å²	22	65.5 Å²	65.5	10%	0.102	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-75.3	130.6	173.2	-170.8	-117.7	0	0	0	110.6	E20 T528 L529 G530 H532 F535	E20-H526 VanDerWaalsContact CD-NE2 3.28Å; E20-H526 IonicContact OE1-CE1 2.74Å; E20-H526 PolarHBondContact OE1-CE1 3.2Å; E20-H526 IonicContact OE1-ND1 2.77Å; E20-H526 IonicContact OE1-NE2 3.2Å; E20-H526 PolarHBondContact OE1-NE2 3Å; E20-H526 IonicContact OE2-CD2 2.58Å; E20-H526 IonicContact OE2-CE1 3.64Å; E20-H526 IonicContact OE2-NE2 2.98Å; H526-T528 PolarHBondContact CE1-OG1 3.3Å; H526-T528 PolarHBondContact ND1-OG1 3.04Å; H526-T528 PolarHBondContact O-N 3.43Å; H526-L529 HydrophobicContact CB-CB 4Å; H526-L529 WeakPolarHBondContact ND1-CB 3.42Å; H526-L529 VanDerWaalsContact ND1-CG 3.34Å; H526-L529 WeakPolarHBondContact ND1-CG 3.38Å; H526-L529 PolarHBondContact ND1-N 3.35Å; H526-L529 PolarHBondContact O-N 3.13Å; H526-G530 PolarHBondContact N-O 3.25Å; H526-G530 PolarHBondContact O-N 3.22Å; H526-G530 VanDerWaalsContact O-N 3.16Å; H526-H532 HydrophobicContact CB-CB 3.99Å; H526-F535 HydrophobicContact CB-CD2 3.81Å; H526-F535 HydrophobicContact CB-CE2 4.19Å; H526-F535 HydrophobicContact CB-CG 4.16Å; H526-F535 AromaticContact CD2-CD1 4Å; H526-F535 AromaticContact CD2-CD2 3.66Å; H526-F535 AromaticContact CD2-CE1 3.59Å; H526-F535 AromaticContact CD2-CE2 3.22Å; H526-F535 WeakPolarHBondContact CD2-CE2 3.42Å; H526-F535 AromaticContact CD2-CZ 3.19Å; H526-F535 WeakPolarHBondContact CD2-CZ 3.31Å; H526-F535 AromaticContact CG-CD2 4Å; H526-F535 AromaticContact CG-CE2 3.85Å; H526-F535 AromaticContact NE2-CZ 3.76Å
527	P	71.6	Confident	86.2	Confident	115 Å²	115	61 Å²	61	75%	0.747	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-22.4	-177	-32.6	38.5	0	0	0	116.6
528	T	76.2	Confident	86.4	Confident	117 Å²	117	58.5 Å²	58.5	72%	0.718	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.8	-17.5	179.1	59.7	0	0	0	0	115.2	H526	H526-T528 PolarHBondContact CE1-OG1 3.3Å; H526-T528 PolarHBondContact ND1-OG1 3.04Å; H526-T528 PolarHBondContact O-N 3.43Å
529	L	74.1	Confident	86.6	Confident	107 Å²	107	59.2 Å²	59.2	56%	0.56	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-7.9	-174.8	-61.9	172.8	0	0	0	113.6	E20 H526	E20-L529 WeakPolarHBondContact OE1-CD1 3.35Å; H526-L529 HydrophobicContact CB-CB 4Å; H526-L529 WeakPolarHBondContact ND1-CB 3.42Å; H526-L529 VanDerWaalsContact ND1-CG 3.34Å; H526-L529 WeakPolarHBondContact ND1-CG 3.38Å; H526-L529 PolarHBondContact ND1-N 3.35Å; H526-L529 PolarHBondContact O-N 3.13Å
530	G	82.1	Confident	86.7	Confident	36 Å²	36	54.8 Å²	54.8	37%	0.371	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	75.3	-138.6	-178.2	0	0	0	0	0	113	H526 H532	H526-G530 PolarHBondContact N-O 3.25Å; H526-G530 PolarHBondContact O-N 3.22Å; H526-G530 VanDerWaalsContact O-N 3.16Å; G530-H532 PolarHBondContact O-N 3.08Å; G530-H532 VanDerWaalsContact O-N 3.14Å
531	D	86.6	Confident	86.9	Confident	96 Å²	96	53 Å²	53	51%	0.513	29%	0.285	S	S	.	.	S	Bend	trans	-55	112.7	-179.5	-68.9	-9.4	0	0	0	110.6	K523 G524	K523-D531 HydrophobicContact CB-CB 4.11Å; K523-D531 WeakPolarHBondContact CB-OD1 3.17Å; K523-D531 VanDerWaalsContact CD-CG 3.45Å; K523-D531 WeakPolarHBondContact CD-OD2 3.39Å; K523-D531 IonicContact NZ-OD2 2.75Å; K523-D531 PolarHBondContact NZ-OD2 2.94Å; G524-D531 WeakPolarHBondContact O-CA 3.46Å
532	H	84.9	Confident	87.1	Confident	49 Å²	49	50.4 Å²	50.4	23%	0.227	28%	0.275	C	S	.	.			trans	-147.5	124.8	-175.4	-164.4	-95.2	0	0	0	113.6	K523 H526 G530 K534 F535	K523-H532 PolarHBondContact O-N 2.77Å; H526-H532 HydrophobicContact CB-CB 3.99Å; G530-H532 PolarHBondContact O-N 3.08Å; G530-H532 VanDerWaalsContact O-N 3.14Å; H532-K534 PolarHBondContact ND1-N 3.04Å; H532-K534 PolarHBondContact O-N 2.97Å; H532-K534 VanDerWaalsContact O-N 3.08Å; H532-F535 HydrophobicContact CB-CD2 4.05Å; H532-F535 AromaticContact ND1-CD2 3.5Å; H532-F535 WeakPolarHBondContact ND1-CD2 3.28Å; H532-F535 AromaticContact ND1-CE2 3.82Å; H532-F535 PolarHBondContact O-N 2.62Å
533	P	85.6	Confident	87.5	Confident	19 Å²	19	55.4 Å²	55.4	12%	0.123	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-57.5	-30.5	-175.1	-25.1	32.3	0	0	0	114.8	Y490 C492 Q493 F535 Y538	Y490-P533 HydrophobicContact CE1-CB 4.18Å; C492-P533 HydrophobicContact CB-CB 4.28Å; Q493-P533 HydrophobicContact CG-CG 4Å; P533-F535 PolarHBondContact O-N 2.84Å; P533-Y538 WeakPolarHBondContact CA-OH 3.34Å; P533-Y538 PolarHBondContact O-OH 3.18Å
534	K	88	Confident	88	Confident	37 Å²	37	48.8 Å²	48.8	16%	0.161	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-70.1	-13.6	178.1	-62.2	-176.5	-177.3	178.3	0	112.7	R421 C492 D494 H532	R421-K534 WeakPolarHBondContact CG-O 3.45Å; R421-K534 PolarHBondContact NH1-O 2.93Å; C492-K534 HydrophobicContact CB-CG 3.6Å; D494-K534 IonicContact OD2-NZ 2.82Å; D494-K534 PolarHBondContact OD2-NZ 2.97Å; H532-K534 PolarHBondContact ND1-N 3.04Å; H532-K534 PolarHBondContact O-N 2.97Å; H532-K534 VanDerWaalsContact O-N 3.08Å
535	F	89.8	Confident	88.8	Confident	25 Å²	25	48.8 Å²	48.8	11%	0.11	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-113.9	32.5	-174.6	-66	-88.6	0	0	0	113.9	E20 Y420 G524 H525 H526 H532 P533	E20-F535 HydrophobicContact CB-CZ 4Å; E20-F535 WeakPolarHBondContact OE2-CE2 3.39Å; Y420-F535 HydrophobicContact CD1-CB 4.23Å; Y420-F535 WeakPolarHBondContact CD1-O 3.39Å; Y420-F535 AromaticContact CD2-CD1 3.69Å; Y420-F535 HydrophobicContact CD2-CD1 3.69Å; Y420-F535 HydrophobicContact CD2-CE1 4.31Å; Y420-F535 HydrophobicContact CE1-CB 4.31Å; Y420-F535 WeakPolarHBondContact CE1-O 3.1Å; Y420-F535 AromaticContact CE2-CD1 3.72Å; Y420-F535 HydrophobicContact CE2-CD1 3.72Å; Y420-F535 HydrophobicContact CE2-CE1 4.4Å; Y420-F535 HydrophobicContact CG-CB 4.38Å; Y420-F535 HydrophobicContact CG-CD1 4.22Å; G524-F535 WeakPolarHBondContact CA-O 3.26Å; H525-F535 PolarHBondContact N-O 2.78Å; H526-F535 HydrophobicContact CB-CD2 3.81Å; H526-F535 HydrophobicContact CB-CE2 4.19Å; H526-F535 HydrophobicContact CB-CG 4.16Å; H526-F535 AromaticContact CD2-CD1 4Å; H526-F535 AromaticContact CD2-CD2 3.66Å; H526-F535 AromaticContact CD2-CE1 3.59Å; H526-F535 AromaticContact CD2-CE2 3.22Å; H526-F535 WeakPolarHBondContact CD2-CE2 3.42Å; H526-F535 AromaticContact CD2-CZ 3.19Å; H526-F535 WeakPolarHBondContact CD2-CZ 3.31Å; H526-F535 AromaticContact CG-CD2 4Å; H526-F535 AromaticContact CG-CE2 3.85Å; H526-F535 AromaticContact NE2-CZ 3.76Å; H532-F535 HydrophobicContact CB-CD2 4.05Å; H532-F535 AromaticContact ND1-CD2 3.5Å; H532-F535 WeakPolarHBondContact ND1-CD2 3.28Å; H532-F535 AromaticContact ND1-CE2 3.82Å; H532-F535 PolarHBondContact O-N 2.62Å; P533-F535 PolarHBondContact O-N 2.84Å
536	T	92.4	Very high	89.6	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.006	25%	0.249	C	C	.	.	S	Bend	trans	-135.6	177	168.1	-163.4	0	0	0	0	111.7	R421 P520 D522 Y538	R421-T536 WeakPolarHBondContact CA-O 3.17Å; R421-T536 PolarHBondContact N-O 2.89Å; P520-T536 HydrophobicContact CB-CG2 4.06Å; D522-T536 VanDerWaalsContact CG-OG1 3.23Å; D522-T536 PolarHBondContact N-OG1 3.13Å; D522-T536 PolarHBondContact O-OG1 2.9Å; D522-T536 VanDerWaalsContact OD1-CB 3.27Å; D522-T536 WeakPolarHBondContact OD1-CB 3.48Å; D522-T536 PolarHBondContact OD1-OG1 3.44Å; T536-Y538 HydrophobicContact CG2-CD2 4.29Å; T536-Y538 HydrophobicContact CG2-CE1 4.15Å; T536-Y538 HydrophobicContact CG2-CE2 3.48Å; T536-Y538 VanDerWaalsContact CG2-CE2 3.48Å; T536-Y538 VanDerWaalsContact CG2-OH 3.25Å; T536-Y538 WeakPolarHBondContact CG2-OH 3.25Å
537	N	95.1	Very high	90.5	Very high	18 Å²	18	46.7 Å²	46.7	10%	0.096	26%	0.256	C	S	.	.			trans	-110.6	160.2	175.1	-65	-47.2	0	0	0	110.4	E419 Y420 R421 R422 R424 P520 Q521	E419-N537 PolarHBondContact O-ND2 2.57Å; E419-N537 PolarHBondContact O-OD1 3.27Å; Y420-N537 VanDerWaalsContact C-OD1 3.28Å; Y420-N537 WeakPolarHBondContact CA-OD1 3.36Å; R421-N537 PolarHBondContact N-OD1 3.03Å; R422-N537 HydrophobicContact CB-CB 4.34Å; R422-N537 WeakPolarHBondContact CB-OD1 3.28Å; R422-N537 PolarHBondContact N-OD1 2.83Å; R424-N537 HydrophobicContact CG-CB 3.96Å; P520-N537 CarbonylContact C-O 3.58Å; Q521-N537 HydrophobicContact CB-CB 4.26Å; Q521-N537 WeakPolarHBondContact CB-O 3.36Å; Q521-N537 PolarHBondContact N-O 3.34Å
538	Y	96.4	Very high	91.7	Very high	9 Å²	9	41.5 Å²	41.5	4%	0.035	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	141.9	-169.1	-69.6	-88.8	0	0	0	113	R422 I423 R424 M469 Y490 V518 L519 P520 P533 T536 F540	R422-Y538 PolarHBondContact O-N 2.97Å; I423-Y538 CarbonylContact C-O 3.47Å; I423-Y538 WeakPolarHBondContact CA-O 3.2Å; R424-Y538 PolarHBondContact N-O 3.06Å; M469-Y538 HydrophobicContact CE-CD2 3.48Å; M469-Y538 VanDerWaalsContact CE-CD2 3.48Å; M469-Y538 HydrophobicContact CE-CE2 4.18Å; M469-Y538 HydrophobicContact CE-CG 4.05Å; Y490-Y538 HydrophobicContact CD1-CD1 4.19Å; Y490-Y538 HydrophobicContact CD1-CD2 4.43Å; Y490-Y538 AromaticContact CD1-CE1 3.67Å; Y490-Y538 HydrophobicContact CD1-CE1 3.67Å; Y490-Y538 AromaticContact CD1-CE2 3.95Å; Y490-Y538 HydrophobicContact CD1-CE2 3.95Å; Y490-Y538 AromaticContact CD1-CZ 3.56Å; Y490-Y538 AromaticContact CE1-CE1 3.71Å; Y490-Y538 HydrophobicContact CE1-CE1 3.71Å; Y490-Y538 HydrophobicContact CE1-CE2 4.3Å; Y490-Y538 AromaticContact CE1-CZ 3.53Å; Y490-Y538 WeakPolarHBondContact CE1-OH 3.38Å; V518-Y538 HydrophobicContact CG1-CD1 3.64Å; V518-Y538 HydrophobicContact CG1-CE1 4.05Å; L519-Y538 WeakPolarHBondContact O-CA 3.31Å; P520-Y538 HydrophobicContact CB-CD1 4.11Å; P520-Y538 HydrophobicContact CB-CE1 3.68Å; P533-Y538 WeakPolarHBondContact CA-OH 3.34Å; P533-Y538 PolarHBondContact O-OH 3.18Å; T536-Y538 HydrophobicContact CG2-CD2 4.29Å; T536-Y538 HydrophobicContact CG2-CE1 4.15Å; T536-Y538 HydrophobicContact CG2-CE2 3.48Å; T536-Y538 VanDerWaalsContact CG2-CE2 3.48Å; T536-Y538 VanDerWaalsContact CG2-OH 3.25Å; T536-Y538 WeakPolarHBondContact CG2-OH 3.25Å; Y538-F540 VanDerWaalsContact CB-CZ 3.46Å; Y538-F540 HydrophobicContact CG-CZ 4.27Å
539	S	97.3	Very high	92.8	Very high	24 Å²	24	35.9 Å²	35.9	17%	0.168	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	155.5	161.2	-63.9	0	0	0	0	109.9	R424 N425 L519	R424-S539 WeakPolarHBondContact CB-OG 3.34Å; N425-S539 WeakPolarHBondContact OD1-CA 3.32Å; L519-S539 PolarHBondContact N-O 2.94Å; L519-S539 PolarHBondContact O-N 2.04Å
540	F	97.3	Very high	94	Very high	3 Å²	3	34.6 Å²	34.6	1%	0.013	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	141.7	-174.9	-63.7	-79.6	0	0	0	111.9	I423 N425 L429 M469 L489 W512 V518 Y538 V542	I423-F540 HydrophobicContact CG1-CE2 4.39Å; I423-F540 HydrophobicContact CG2-CD2 4.04Å; I423-F540 HydrophobicContact CG2-CE2 4.24Å; N425-F540 PolarHBondContact ND2-O 3.03Å; N425-F540 PolarHBondContact OD1-N 2.86Å; L429-F540 HydrophobicContact CD1-CB 4.07Å; L429-F540 HydrophobicContact CD1-CD2 4.21Å; L429-F540 HydrophobicContact CD2-CB 4.31Å; M469-F540 HydrophobicContact CE-CZ 4.19Å; M469-F540 HydrophobicContact SD-CE1 4.43Å; M469-F540 HydrophobicContact SD-CE2 3.89Å; M469-F540 HydrophobicContact SD-CZ 3.4Å; M469-F540 WeakPolarHBondContact SD-CZ 3.49Å; L489-F540 HydrophobicContact CB-CE1 4.22Å; L489-F540 HydrophobicContact CB-CE2 4.44Å; L489-F540 HydrophobicContact CB-CZ 4.04Å; L489-F540 HydrophobicContact CD1-CE2 4.48Å; L489-F540 HydrophobicContact CD2-CD1 4.49Å; L489-F540 HydrophobicContact CD2-CG 4.49Å; L489-F540 WeakPolarHBondContact O-CE1 3.4Å; W512-F540 HydrophobicContact CD2-CD1 4.47Å; W512-F540 AromaticContact CE2-CD1 3.64Å; W512-F540 HydrophobicContact CH2-CB 3.85Å; W512-F540 HydrophobicContact CH2-CD1 4.14Å; W512-F540 HydrophobicContact CH2-CG 4.47Å; W512-F540 HydrophobicContact CZ2-CB 3.68Å; W512-F540 AromaticContact CZ2-CD1 3.47Å; W512-F540 HydrophobicContact CZ2-CD1 3.47Å; W512-F540 VanDerWaalsContact CZ2-CD1 3.47Å; W512-F540 HydrophobicContact CZ2-CE1 4.5Å; W512-F540 AromaticContact CZ2-CG 3.91Å; W512-F540 HydrophobicContact CZ2-CG 3.91Å; W512-F540 AromaticContact NE1-CD1 3.83Å; V518-F540 HydrophobicContact CB-CE1 4.43Å; V518-F540 HydrophobicContact CG1-CD1 4.5Å; V518-F540 HydrophobicContact CG1-CE1 3.84Å; V518-F540 HydrophobicContact CG2-CD1 4.26Å; V518-F540 HydrophobicContact CG2-CE1 4.12Å; Y538-F540 VanDerWaalsContact CB-CZ 3.46Å; Y538-F540 HydrophobicContact CG-CZ 4.27Å; F540-V542 PolarHBondContact O-N 3.18Å
541	D	97.9	Very high	94.7	Very high	36 Å²	36	37.4 Å²	37.4	19%	0.193	19%	0.185	C	C	.	.			trans	-64.2	124.2	174.8	-176.3	-83.9	0	0	0	112	W512 K517 E543 E544 F545	W512-D541 HydrophobicContact CH2-CB 4.29Å; W512-D541 WeakPolarHBondContact CH2-O 3.35Å; W512-D541 HydrophobicContact CZ3-CB 4.14Å; K517-D541 HydrophobicContact CB-CB 3.74Å; K517-D541 HydrophobicContact CD-CB 3.87Å; K517-D541 WeakPolarHBondContact CD-OD2 3.06Å; K517-D541 WeakPolarHBondContact CE-OD2 3.46Å; K517-D541 HydrophobicContact CG-CB 4.17Å; K517-D541 IonicContact NZ-OD2 3.46Å; K517-D541 PolarHBondContact NZ-OD2 3.31Å; K517-D541 PolarHBondContact O-N 3.37Å; D541-E543 PolarHBondContact O-N 2.84Å; D541-E543 PolarHBondContact OD1-N 2.88Å; D541-E543 VanDerWaalsContact OD1-N 3.16Å; D541-E544 HydrophobicContact CB-CB 4.33Å; D541-E544 WeakPolarHBondContact OD1-CB 3.21Å; D541-E544 PolarHBondContact OD1-N 3.13Å; D541-F545 WeakPolarHBondContact O-CB 3.42Å; D541-F545 PolarHBondContact O-N 3.48Å
542	V	97.6	Very high	95.3	Very high	34 Å²	34	33 Å²	33	21%	0.206	16%	0.161	C	C	.	.	H	α-helix	trans	-68.1	-38	-172.6	-172.5	0	0	0	0	112.1	E428 L429 A432 F540 M546	E428-V542 HydrophobicContact CG-CG2 3.6Å; E428-V542 WeakPolarHBondContact OE1-CG2 3.31Å; L429-V542 HydrophobicContact CD2-CG2 4.23Å; A432-V542 HydrophobicContact CB-CG1 3.56Å; F540-V542 PolarHBondContact O-N 3.18Å; V542-M546 HydrophobicContact CG1-CG 4.35Å; V542-M546 WeakPolarHBondContact O-CB 3.39Å; V542-M546 VanDerWaalsContact O-CG 3.26Å; V542-M546 WeakPolarHBondContact O-CG 3.37Å; V542-M546 PolarHBondContact O-N 3.26Å
543	E	96.8	Very high	95.9	Very high	157 Å²	157	30.8 Å²	30.8	73%	0.734	15%	0.151	S	C	*	.	H	α-helix	trans	-69.5	-48.4	-175.8	-62.1	-175.4	165.4	0	0	111.2	D541 M546 R547	D541-E543 PolarHBondContact O-N 2.84Å; D541-E543 PolarHBondContact OD1-N 2.88Å; D541-E543 VanDerWaalsContact OD1-N 3.16Å; E543-M546 PolarHBondContact O-N 3.36Å; E543-R547 WeakPolarHBondContact O-CB 3.36Å; E543-R547 PolarHBondContact O-N 3.01Å
544	E	96.8	Very high	96.5	Very high	7 Å²	7	33 Å²	33	3%	0.033	16%	0.162	C	C	.	.	H	α-helix	trans	-66.8	-37.4	177.5	-179	72.2	177.3	0	0	111.4	W512 K514 D541 R547 I548	W512-E544 HydrophobicContact CE3-CB 4.46Å; W512-E544 HydrophobicContact CE3-CG 3.74Å; W512-E544 HydrophobicContact CH2-CB 4.31Å; W512-E544 HydrophobicContact CH2-CG 4.35Å; W512-E544 HydrophobicContact CZ3-CB 3.69Å; W512-E544 HydrophobicContact CZ3-CG 3.46Å; W512-E544 VanDerWaalsContact CZ3-CG 3.46Å; K514-E544 IonicContact NZ-OE1 3.28Å; K514-E544 IonicContact NZ-OE2 2.69Å; K514-E544 PolarHBondContact NZ-OE2 3.46Å; D541-E544 HydrophobicContact CB-CB 4.33Å; D541-E544 WeakPolarHBondContact OD1-CB 3.21Å; D541-E544 PolarHBondContact OD1-N 3.13Å; E544-R547 VanDerWaalsContact CD-NH2 3.32Å; E544-R547 PolarHBondContact O-N 3.19Å; E544-R547 IonicContact OE1-CZ 3.63Å; E544-R547 IonicContact OE1-NE 2.79Å; E544-R547 IonicContact OE1-NH2 2.66Å; E544-R547 PolarHBondContact OE1-NH2 3.46Å; E544-R547 IonicContact OE2-CZ 3.87Å; E544-R547 IonicContact OE2-NE 2.73Å; E544-R547 PolarHBondContact OE2-NE 3.41Å; E544-R547 IonicContact OE2-NH2 2.79Å; E544-R547 PolarHBondContact OE2-NH2 3.34Å; E544-I548 HydrophobicContact CG-CD1 4.19Å; E544-I548 VanDerWaalsContact O-CG1 3.32Å; E544-I548 WeakPolarHBondContact O-CG1 3.45Å; E544-I548 PolarHBondContact O-N 3.36Å; E544-I548 VanDerWaalsContact O-N 3.08Å
545	F	98	Very high	97	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.5	-50.1	171.9	171.6	-101	0	0	0	111.8	L429 L433 I467 F487 L489 W512 D541 R547 I548 V549	L429-F545 HydrophobicContact CB-CD1 4.13Å; L429-F545 HydrophobicContact CB-CE1 3.82Å; L429-F545 HydrophobicContact CB-CZ 4.21Å; L429-F545 HydrophobicContact CD2-CB 4.14Å; L429-F545 HydrophobicContact CD2-CD1 3.8Å; L429-F545 HydrophobicContact CD2-CE1 4.37Å; L429-F545 HydrophobicContact CD2-CG 3.92Å; L429-F545 HydrophobicContact CG-CD1 4.43Å; L433-F545 HydrophobicContact CD1-CE1 4.2Å; L433-F545 HydrophobicContact CD1-CZ 4.09Å; L433-F545 HydrophobicContact CD2-CE1 3.74Å; L433-F545 HydrophobicContact CD2-CZ 4.06Å; L433-F545 HydrophobicContact CG-CE1 3.8Å; L433-F545 HydrophobicContact CG-CZ 4.17Å; I467-F545 HydrophobicContact CD1-CE2 4.08Å; I467-F545 HydrophobicContact CD1-CZ 3.9Å; I467-F545 HydrophobicContact CG2-CE2 4.04Å; F487-F545 HydrophobicContact CD1-CE2 4.27Å; F487-F545 AromaticContact CE1-CD2 3.6Å; F487-F545 HydrophobicContact CE1-CD2 3.6Å; F487-F545 AromaticContact CE1-CE2 3.75Å; F487-F545 HydrophobicContact CE1-CE2 3.75Å; F487-F545 HydrophobicContact CZ-CD2 4.16Å; L489-F545 HydrophobicContact CD2-CD2 3.79Å; L489-F545 HydrophobicContact CD2-CE2 3.85Å; W512-F545 HydrophobicContact CH2-CB 3.9Å; W512-F545 HydrophobicContact CZ2-CB 3.99Å; W512-F545 HydrophobicContact CZ2-CD2 4.39Å; D541-F545 WeakPolarHBondContact O-CB 3.42Å; D541-F545 PolarHBondContact O-N 3.48Å; F545-R547 VanDerWaalsContact C-N 3.35Å; F545-R547 PolarHBondContact O-N 3.46Å; F545-I548 PolarHBondContact O-N 3.08Å; F545-V549 HydrophobicContact CD2-CG2 4.39Å; F545-V549 HydrophobicContact CE1-CG2 4.27Å; F545-V549 HydrophobicContact CE2-CG2 3.95Å; F545-V549 HydrophobicContact CZ-CG2 3.9Å; F545-V549 WeakPolarHBondContact O-CG2 3.38Å; F545-V549 PolarHBondContact O-N 2.63Å
546	M	98.1	Very high	97.4	Very high	22 Å²	22	33.9 Å²	33.9	11%	0.108	16%	0.164	C	C	.	.	H	α-helix	trans	-64	-38.7	179	-74.1	-57.6	-63.5	0	0	112.1	A432 L433 V436 V542 E543 V549 L550	A432-M546 VanDerWaalsContact C-SD 3.57Å; A432-M546 HydrophobicContact CB-CG 3.83Å; A432-M546 HydrophobicContact CB-SD 3.66Å; A432-M546 WeakPolarHBondContact O-CE 3.41Å; L433-M546 HydrophobicContact CD2-CE 4.49Å; L433-M546 HydrophobicContact CD2-SD 3.85Å; L433-M546 HydrophobicContact CG-SD 4.3Å; V436-M546 HydrophobicContact CG2-CE 3.49Å; V436-M546 VanDerWaalsContact CG2-CE 3.49Å; V542-M546 HydrophobicContact CG1-CG 4.35Å; V542-M546 WeakPolarHBondContact O-CB 3.39Å; V542-M546 VanDerWaalsContact O-CG 3.26Å; V542-M546 WeakPolarHBondContact O-CG 3.37Å; V542-M546 PolarHBondContact O-N 3.26Å; E543-M546 PolarHBondContact O-N 3.36Å; M546-V549 PolarHBondContact O-N 3.49Å; M546-L550 WeakPolarHBondContact O-CB 3.49Å; M546-L550 VanDerWaalsContact O-CG 3.27Å; M546-L550 WeakPolarHBondContact O-CG 3.39Å; M546-L550 PolarHBondContact O-N 2.89Å
547	R	97.7	Very high	97.6	Very high	68 Å²	68	35.9 Å²	35.9	26%	0.257	18%	0.177	S	C	.	.	H	α-helix	trans	-56.6	-50.7	173.8	-174.4	-170.6	68.3	78.1	-3	111.5	E543 E544 F545 V549 L550 E551	E543-R547 WeakPolarHBondContact O-CB 3.36Å; E543-R547 PolarHBondContact O-N 3.01Å; E544-R547 VanDerWaalsContact CD-NH2 3.32Å; E544-R547 PolarHBondContact O-N 3.19Å; E544-R547 IonicContact OE1-CZ 3.63Å; E544-R547 IonicContact OE1-NE 2.79Å; E544-R547 IonicContact OE1-NH2 2.66Å; E544-R547 PolarHBondContact OE1-NH2 3.46Å; E544-R547 IonicContact OE2-CZ 3.87Å; E544-R547 IonicContact OE2-NE 2.73Å; E544-R547 PolarHBondContact OE2-NE 3.41Å; E544-R547 IonicContact OE2-NH2 2.79Å; E544-R547 PolarHBondContact OE2-NH2 3.34Å; F545-R547 VanDerWaalsContact C-N 3.35Å; F545-R547 PolarHBondContact O-N 3.46Å; R547-V549 PolarHBondContact O-N 3.47Å; R547-L550 PolarHBondContact O-N 3.22Å; R547-E551 IonicContact CZ-OE1 2.75Å; R547-E551 IonicContact NH1-OE1 3.47Å; R547-E551 PolarHBondContact NH1-OE1 2.79Å; R547-E551 IonicContact NH1-OE2 3.8Å; R547-E551 PolarHBondContact NH1-OE2 3.18Å; R547-E551 WeakPolarHBondContact O-CG 3.4Å; R547-E551 PolarHBondContact O-N 3.4Å
548	I	98.1	Very high	97.6	Very high	6 Å²	6	42.8 Å²	42.8	3%	0.031	20%	0.201	C	C	.	.	H	α-helix	trans	-63.5	-40.5	-179.4	-66.1	165.6	0	0	0	111.1	F487 V510 W512 E544 F545 E551 A552	F487-I548 HydrophobicContact CD1-CG2 4Å; F487-I548 HydrophobicContact CD2-CG2 4.31Å; F487-I548 HydrophobicContact CE1-CB 4.06Å; F487-I548 HydrophobicContact CE1-CG2 3.65Å; F487-I548 HydrophobicContact CE2-CD1 4.39Å; F487-I548 HydrophobicContact CE2-CG2 4Å; F487-I548 HydrophobicContact CG-CG2 4.33Å; F487-I548 HydrophobicContact CZ-CB 4.06Å; F487-I548 HydrophobicContact CZ-CD1 3.93Å; F487-I548 HydrophobicContact CZ-CG2 3.66Å; V510-I548 HydrophobicContact CB-CG2 4.43Å; V510-I548 HydrophobicContact CG2-CG2 3.98Å; W512-I548 HydrophobicContact CD2-CD1 4.45Å; E544-I548 HydrophobicContact CG-CD1 4.19Å; E544-I548 VanDerWaalsContact O-CG1 3.32Å; E544-I548 WeakPolarHBondContact O-CG1 3.45Å; E544-I548 PolarHBondContact O-N 3.36Å; E544-I548 VanDerWaalsContact O-N 3.08Å; F545-I548 PolarHBondContact O-N 3.08Å; I548-E551 PolarHBondContact O-N 2.9Å; I548-A552 WeakPolarHBondContact O-CB 3.46Å; I548-A552 PolarHBondContact O-N 2.87Å
549	V	98.5	Very high	97.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-69.7	-35.1	178.8	177.1	0	0	0	0	112.3	L433 L439 I465 I467 F487 F545 M546 R547 A552 A553	L433-V549 HydrophobicContact CD2-CB 4.15Å; L433-V549 HydrophobicContact CD2-CG1 3.65Å; L433-V549 HydrophobicContact CD2-CG2 4.18Å; L439-V549 HydrophobicContact CD1-CG1 4.11Å; I465-V549 HydrophobicContact CD1-CG1 4.07Å; I467-V549 HydrophobicContact CD1-CG2 3.7Å; F487-V549 HydrophobicContact CD1-CG2 3.96Å; F487-V549 HydrophobicContact CE1-CG2 3.99Å; F545-V549 HydrophobicContact CD2-CG2 4.39Å; F545-V549 HydrophobicContact CE1-CG2 4.27Å; F545-V549 HydrophobicContact CE2-CG2 3.95Å; F545-V549 HydrophobicContact CZ-CG2 3.9Å; F545-V549 WeakPolarHBondContact O-CG2 3.38Å; F545-V549 PolarHBondContact O-N 2.63Å; M546-V549 PolarHBondContact O-N 3.49Å; R547-V549 PolarHBondContact O-N 3.47Å; V549-A552 WeakPolarHBondContact O-CB 3.44Å; V549-A552 PolarHBondContact O-N 2.82Å; V549-A553 PolarHBondContact O-N 2.95Å
550	L	98.4	Very high	97.5	Very high	79 Å²	79	46.2 Å²	46.2	41%	0.414	22%	0.222	S	C	.	.	H	α-helix	trans	-68.3	-40.1	174.5	-71.6	170.5	0	0	0	111.9	V436 M546 R547 A552 A553 D554	V436-L550 HydrophobicContact CG1-CD2 4.04Å; V436-L550 HydrophobicContact CG2-CD2 4.31Å; M546-L550 WeakPolarHBondContact O-CB 3.49Å; M546-L550 VanDerWaalsContact O-CG 3.27Å; M546-L550 WeakPolarHBondContact O-CG 3.39Å; M546-L550 PolarHBondContact O-N 2.89Å; R547-L550 PolarHBondContact O-N 3.22Å; L550-A552 VanDerWaalsContact C-N 3.3Å; L550-A552 PolarHBondContact O-N 3.45Å; L550-A553 PolarHBondContact O-N 3.15Å; L550-D554 WeakPolarHBondContact O-CB 3.22Å; L550-D554 PolarHBondContact O-N 3.05Å
551	E	98.3	Very high	97.3	Very high	96 Å²	96	48 Å²	48	45%	0.449	23%	0.23	S	C	.	.	H	α-helix	trans	-62.5	-36.2	171.2	-74.7	170.9	-161.9	0	0	112.1	R547 I548 Y555	R547-E551 IonicContact CZ-OE1 2.75Å; R547-E551 IonicContact NH1-OE1 3.47Å; R547-E551 PolarHBondContact NH1-OE1 2.79Å; R547-E551 IonicContact NH1-OE2 3.8Å; R547-E551 PolarHBondContact NH1-OE2 3.18Å; R547-E551 WeakPolarHBondContact O-CG 3.4Å; R547-E551 PolarHBondContact O-N 3.4Å; I548-E551 PolarHBondContact O-N 2.9Å; E551-Y555 PolarHBondContact O-N 2.89Å
552	A	98.4	Very high	97.1	Very high	3 Å²	3	47 Å²	47	3%	0.025	22%	0.223	C	C	.	.	H	α-helix	trans	-67.7	-41.3	173.7	0	0	0	0	0	112.5	I465 V485 I548 V549 L550 D554 Y555 V556	I465-A552 HydrophobicContact CD1-CB 3.79Å; I465-A552 HydrophobicContact CG1-CB 4.24Å; I465-A552 HydrophobicContact CG2-CB 4.35Å; V485-A552 HydrophobicContact CB-CB 3.94Å; V485-A552 HydrophobicContact CG1-CB 3.72Å; V485-A552 HydrophobicContact CG2-CB 3.93Å; I548-A552 WeakPolarHBondContact O-CB 3.46Å; I548-A552 PolarHBondContact O-N 2.87Å; V549-A552 WeakPolarHBondContact O-CB 3.44Å; V549-A552 PolarHBondContact O-N 2.82Å; L550-A552 VanDerWaalsContact C-N 3.3Å; L550-A552 PolarHBondContact O-N 3.45Å; A552-D554 VanDerWaalsContact C-N 3.34Å; A552-Y555 PolarHBondContact O-N 3.17Å; A552-V556 WeakPolarHBondContact O-CG2 3.09Å; A552-V556 PolarHBondContact O-N 2.88Å
553	A	98.3	Very high	96.7	Very high	2 Å²	2	49.4 Å²	49.4	2%	0.017	23%	0.232	C	C	.	.	H	α-helix	trans	-66.6	-36.1	176.6	0	0	0	0	0	112.3	V409 L438 L439 I465 V549 L550 V556 T557	V409-A553 HydrophobicContact CG1-CB 4.34Å; V409-A553 HydrophobicContact CG2-CB 4.38Å; L438-A553 HydrophobicContact CD2-CB 4.41Å; L439-A553 HydrophobicContact CD2-CB 4.09Å; I465-A553 HydrophobicContact CD1-CB 3.97Å; V549-A553 PolarHBondContact O-N 2.95Å; L550-A553 PolarHBondContact O-N 3.15Å; A553-V556 PolarHBondContact O-N 3.17Å; A553-T557 WeakPolarHBondContact O-CB 3.16Å; A553-T557 WeakPolarHBondContact O-CG2 3.49Å; A553-T557 PolarHBondContact O-N 2.91Å; A553-T557 PolarHBondContact O-OG1 3.26Å
554	D	97.8	Very high	96.1	Very high	65 Å²	65	49.1 Å²	49.1	35%	0.348	22%	0.224	S	C	.	.	H	α-helix	trans	-64.7	-41.8	172.3	-178.8	69	0	0	0	111.9	L550 A552 T557 R558	L550-D554 WeakPolarHBondContact O-CB 3.22Å; L550-D554 PolarHBondContact O-N 3.05Å; A552-D554 VanDerWaalsContact C-N 3.34Å; D554-T557 PolarHBondContact O-OG1 2.87Å; D554-R558 WeakPolarHBondContact O-CB 3.23Å; D554-R558 WeakPolarHBondContact O-CG 3.2Å; D554-R558 PolarHBondContact O-N 2.03Å; D554-R558 VanDerWaalsContact O-N 3.15Å; D554-R558 IonicContact OD1-CZ 3.78Å; D554-R558 IonicContact OD1-NE 3.53Å; D554-R558 PolarHBondContact OD1-NE 2.84Å; D554-R558 IonicContact OD1-NH2 2.65Å; D554-R558 PolarHBondContact OD1-NH2 2.74Å; D554-R558 IonicContact OD2-CZ 3.98Å; D554-R558 IonicContact OD2-NE 3.24Å; D554-R558 PolarHBondContact OD2-NE 3.25Å; D554-R558 VanDerWaalsContact OD2-NE 3.08Å; D554-R558 IonicContact OD2-NH1 2.81Å; D554-R558 PolarHBondContact OD2-NH1 2.74Å; D554-R558 IonicContact OD2-NH2 3.7Å; D554-R558 PolarHBondContact OD2-NH2 3.32Å
555	Y	97.9	Very high	95.1	Very high	82 Å²	82	49.6 Å²	49.6	32%	0.322	23%	0.231	S	C	.	.	H	α-helix	trans	-61.2	-48.1	172.9	175.4	-89.9	0	0	0	112.2	V485 R508 E551 A552 R558 H559	V485-Y555 HydrophobicContact CG2-CD1 3.53Å; V485-Y555 HydrophobicContact CG2-CE1 4.22Å; V485-Y555 HydrophobicContact CG2-CG 4.3Å; R508-Y555 HydrophobicContact CB-CD1 4.01Å; R508-Y555 HydrophobicContact CB-CE1 3.49Å; R508-Y555 VanDerWaalsContact CB-CE1 3.49Å; R508-Y555 HydrophobicContact CB-CE2 4.42Å; R508-Y555 HydrophobicContact CG-CD1 4.13Å; R508-Y555 HydrophobicContact CG-CD2 4.44Å; R508-Y555 HydrophobicContact CG-CE1 4.02Å; R508-Y555 HydrophobicContact CG-CE2 4.34Å; R508-Y555 HydrophobicContact CG-CG 4.34Å; E551-Y555 PolarHBondContact O-N 2.89Å; A552-Y555 PolarHBondContact O-N 3.17Å; Y555-R558 PolarHBondContact O-N 3.24Å; Y555-H559 PolarHBondContact O-N 2.79Å; Y555-H559 VanDerWaalsContact O-N 3.16Å
556	V	97.8	Very high	94	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57	-52.5	178.1	166.7	0	0	0	0	110.9	V409 D464 I465 V485 A552 A553 R558 H559 W562	V409-V556 HydrophobicContact CG1-CG1 4.33Å; V409-V556 HydrophobicContact CG2-CG1 4.39Å; D464-V556 HydrophobicContact CB-CG1 4.04Å; D464-V556 HydrophobicContact CB-CG2 4.45Å; D464-V556 WeakPolarHBondContact O-CG2 3.32Å; I465-V556 HydrophobicContact CG1-CG2 4.19Å; V485-V556 HydrophobicContact CG2-CG2 4.01Å; A552-V556 WeakPolarHBondContact O-CG2 3.09Å; A552-V556 PolarHBondContact O-N 2.88Å; A553-V556 PolarHBondContact O-N 3.17Å; V556-R558 VanDerWaalsContact C-N 3.26Å; V556-R558 PolarHBondContact O-N 3.33Å; V556-H559 VanDerWaalsContact O-CB 3.27Å; V556-H559 WeakPolarHBondContact O-CB 3.06Å; V556-H559 PolarHBondContact O-N 2.92Å; V556-W562 HydrophobicContact CG1-CD2 3.84Å; V556-W562 HydrophobicContact CG1-CE3 3.8Å; V556-W562 HydrophobicContact CG1-CG 4.41Å; V556-W562 HydrophobicContact CG1-CH2 4.36Å; V556-W562 HydrophobicContact CG1-CZ2 4.41Å; V556-W562 HydrophobicContact CG1-CZ3 4.09Å; V556-W562 VanDerWaalsContact O-CB 3.26Å; V556-W562 WeakPolarHBondContact O-CB 3.45Å
557	T	96.3	Very high	92.6	Very high	43 Å²	43	57.9 Å²	57.9	26%	0.264	26%	0.263	S	S	.	.	H	α-helix	trans	-68.9	-24.7	-173.5	50.9	0	0	0	0	113.3	V409 A553 D554 Q563	V409-T557 HydrophobicContact CG2-CG2 3.67Å; A553-T557 WeakPolarHBondContact O-CB 3.16Å; A553-T557 WeakPolarHBondContact O-CG2 3.49Å; A553-T557 PolarHBondContact O-N 2.91Å; A553-T557 PolarHBondContact O-OG1 3.26Å; D554-T557 PolarHBondContact O-OG1 2.87Å; T557-Q563 WeakPolarHBondContact O-CG 3.28Å; T557-Q563 PolarHBondContact O-NE2 3.05Å
558	R	96.3	Very high	90.9	Very high	163 Å²	163	61.3 Å²	61.3	62%	0.615	28%	0.282	S	S	*	.	H	α-helix	trans	-84.3	-10.3	171.7	-65.8	177.2	-166.8	-172.3	8	114.2	D554 Y555 V556	D554-R558 WeakPolarHBondContact O-CB 3.23Å; D554-R558 WeakPolarHBondContact O-CG 3.2Å; D554-R558 PolarHBondContact O-N 2.03Å; D554-R558 VanDerWaalsContact O-N 3.15Å; D554-R558 IonicContact OD1-CZ 3.78Å; D554-R558 IonicContact OD1-NE 3.53Å; D554-R558 PolarHBondContact OD1-NE 2.84Å; D554-R558 IonicContact OD1-NH2 2.65Å; D554-R558 PolarHBondContact OD1-NH2 2.74Å; D554-R558 IonicContact OD2-CZ 3.98Å; D554-R558 IonicContact OD2-NE 3.24Å; D554-R558 PolarHBondContact OD2-NE 3.25Å; D554-R558 VanDerWaalsContact OD2-NE 3.08Å; D554-R558 IonicContact OD2-NH1 2.81Å; D554-R558 PolarHBondContact OD2-NH1 2.74Å; D554-R558 IonicContact OD2-NH2 3.7Å; D554-R558 PolarHBondContact OD2-NH2 3.32Å; Y555-R558 PolarHBondContact O-N 3.24Å; V556-R558 VanDerWaalsContact C-N 3.26Å; V556-R558 PolarHBondContact O-N 3.33Å
559	H	96.6	Very high	88.9	Confident	22 Å²	22	66.4 Å²	66.4	10%	0.102	31%	0.309	C	S	.	.			trans	-67.5	131.2	-172.6	-165	-104.3	0	0	0	112.2	D482 W483 Y555 V556 K561 W562 Q563	D482-H559 PolarHBondContact O-CE1 2.63Å; W483-H559 HydrophobicContact CB-CB 3.8Å; W483-H559 VanDerWaalsContact CB-ND1 3.33Å; W483-H559 WeakPolarHBondContact CB-ND1 3.41Å; Y555-H559 PolarHBondContact O-N 2.79Å; Y555-H559 VanDerWaalsContact O-N 3.16Å; V556-H559 VanDerWaalsContact O-CB 3.27Å; V556-H559 WeakPolarHBondContact O-CB 3.06Å; V556-H559 PolarHBondContact O-N 2.92Å; H559-K561 PolarHBondContact ND1-N 2.83Å; H559-K561 PolarHBondContact O-N 2.94Å; H559-K561 VanDerWaalsContact O-N 3.1Å; H559-W562 HydrophobicContact CB-CB 4.11Å; H559-W562 WeakPolarHBondContact O-CA 3.05Å; H559-W562 WeakPolarHBondContact O-CB 3.35Å; H559-W562 PolarHBondContact O-N 3.06Å; H559-Q563 PolarHBondContact O-N 3.48Å
560	P	94.3	Very high	86.6	Confident	82 Å²	82	73 Å²	73	53%	0.532	34%	0.34	S	S	.	.	H	α-helix	trans	-62	-23.6	-175.4	-26.8	35.4	0	0	0	115.5	R564	P560-R564 WeakPolarHBondContact O-CG 3.34Å; P560-R564 PolarHBondContact O-N 2.85Å; P560-R564 PolarHBondContact O-NE 3.05Å; P560-R564 VanDerWaalsContact O-NE 3.08Å
561	K	92.9	Very high	83.9	Confident	42 Å²	42	79 Å²	79	18%	0.183	37%	0.371	C	S	.	.	H	α-helix	trans	-78.2	-32.9	172.4	-64.3	178	-176.7	167	0	112.1	E383 D482 W483 H559 G565	E383-K561 IonicContact OE1-NZ 3.14Å; E383-K561 IonicContact OE2-NZ 2.81Å; E383-K561 PolarHBondContact OE2-NZ 3.16Å; D482-K561 HydrophobicContact CB-CD 3.54Å; D482-K561 IonicContact OD2-NZ 2.7Å; D482-K561 PolarHBondContact OD2-NZ 3.19Å; W483-K561 HydrophobicContact CE3-CB 4.03Å; H559-K561 PolarHBondContact ND1-N 2.83Å; H559-K561 PolarHBondContact O-N 2.94Å; H559-K561 VanDerWaalsContact O-N 3.1Å; K561-G565 PolarHBondContact O-N 3.1Å
562	W	93.7	Very high	83.2	Confident	13 Å²	13	78.1 Å²	78.1	5%	0.049	37%	0.367	C	S	.	.	H	α-helix	trans	-66.9	-52.3	174.6	-178.9	-91.7	0	0	0	111.2	P404 R408 D464 W483 V556 H559 R564 G565 I566	P404-W562 VanDerWaalsContact CA-CZ3 3.45Å; P404-W562 HydrophobicContact CB-CD2 3.6Å; P404-W562 HydrophobicContact CB-CE3 3.48Å; P404-W562 VanDerWaalsContact CB-CE3 3.48Å; P404-W562 HydrophobicContact CB-CG 4.25Å; P404-W562 HydrophobicContact CB-CH2 3.9Å; P404-W562 HydrophobicContact CB-CZ2 3.99Å; P404-W562 HydrophobicContact CB-CZ3 3.62Å; P404-W562 HydrophobicContact CG-CD2 4.02Å; P404-W562 HydrophobicContact CG-CE3 3.73Å; P404-W562 HydrophobicContact CG-CG 4.38Å; P404-W562 HydrophobicContact CG-CZ3 4.21Å; P404-W562 WeakPolarHBondContact CG-O 3.44Å; R408-W562 WeakPolarHBondContact O-CH2 3.38Å; R408-W562 VanDerWaalsContact O-CZ2 3.28Å; R408-W562 WeakPolarHBondContact O-CZ2 3.1Å; D464-W562 HydrophobicContact CB-CH2 4.48Å; D464-W562 HydrophobicContact CB-CZ3 4.18Å; D464-W562 VanDerWaalsContact OD1-CZ3 3.26Å; D464-W562 WeakPolarHBondContact OD1-CZ3 3.31Å; D464-W562 WeakPolarHBondContact OD2-CH2 3.16Å; W483-W562 HydrophobicContact CB-CB 4.32Å; W483-W562 AromaticContact CD1-CE3 3.53Å; W483-W562 AromaticContact CD1-CZ3 3.96Å; W483-W562 AromaticContact CD2-CE3 3.9Å; W483-W562 HydrophobicContact CD2-CE3 3.9Å; W483-W562 AromaticContact CE2-CE3 3.54Å; W483-W562 AromaticContact CE2-CZ3 3.8Å; W483-W562 HydrophobicContact CG-CB 4.39Å; W483-W562 AromaticContact CG-CE3 3.87Å; W483-W562 HydrophobicContact CG-CE3 3.87Å; W483-W562 HydrophobicContact CZ2-CE3 4.13Å; W483-W562 HydrophobicContact CZ2-CZ3 4.17Å; W483-W562 AromaticContact NE1-CE3 3.32Å; W483-W562 VanDerWaalsContact NE1-CE3 3.32Å; W483-W562 AromaticContact NE1-CZ3 3.39Å; V556-W562 HydrophobicContact CG1-CD2 3.84Å; V556-W562 HydrophobicContact CG1-CE3 3.8Å; V556-W562 HydrophobicContact CG1-CG 4.41Å; V556-W562 HydrophobicContact CG1-CH2 4.36Å; V556-W562 HydrophobicContact CG1-CZ2 4.41Å; V556-W562 HydrophobicContact CG1-CZ3 4.09Å; V556-W562 VanDerWaalsContact O-CB 3.26Å; V556-W562 WeakPolarHBondContact O-CB 3.45Å; H559-W562 HydrophobicContact CB-CB 4.11Å; H559-W562 WeakPolarHBondContact O-CA 3.05Å; H559-W562 WeakPolarHBondContact O-CB 3.35Å; H559-W562 PolarHBondContact O-N 3.06Å; W562-R564 VanDerWaalsContact C-N 3.29Å; W562-R564 PolarHBondContact O-N 3.24Å; W562-G565 PolarHBondContact O-N 3.35Å; W562-G565 VanDerWaalsContact O-N 3.13Å; W562-I566 PolarHBondContact O-N 3.44Å
563	Q	90.2	Very high	82.4	Confident	86 Å²	86	82.1 Å²	82.1	40%	0.402	39%	0.385	S	S	.	.	H	α-helix	trans	-63.2	-33	-177.5	-64.9	-172.8	-13	0	0	113.5	T557 H559 R567	T557-Q563 WeakPolarHBondContact O-CG 3.28Å; T557-Q563 PolarHBondContact O-NE2 3.05Å; H559-Q563 PolarHBondContact O-N 3.48Å; Q563-R567 WeakPolarHBondContact O-CG 3.22Å; Q563-R567 PolarHBondContact O-N 3.02Å
564	R	84	Confident	81.5	Confident	150 Å²	150	86.5 Å²	86.5	57%	0.566	41%	0.406	S	S	*	.	H	α-helix	trans	-70.2	-37.8	174.8	-78.1	-173.6	-67	163	-1.6	112.7	P560 W562 R567 H568	P560-R564 WeakPolarHBondContact O-CG 3.34Å; P560-R564 PolarHBondContact O-N 2.85Å; P560-R564 PolarHBondContact O-NE 3.05Å; P560-R564 VanDerWaalsContact O-NE 3.08Å; W562-R564 VanDerWaalsContact C-N 3.29Å; W562-R564 PolarHBondContact O-N 3.24Å; R564-R567 PolarHBondContact O-N 3.25Å; R564-H568 PolarHBondContact O-CD2 2.98Å; R564-H568 PolarHBondContact O-N 3.42Å
565	G	75.1	Confident	80.5	Confident	17 Å²	17	87.8 Å²	87.8	18%	0.175	41%	0.409	C	S	.	.	H	α-helix	trans	-59.9	-50	176.8	0	0	0	0	0	111.8	K561 W562 R567 H568 D569	K561-G565 PolarHBondContact O-N 3.1Å; W562-G565 PolarHBondContact O-N 3.35Å; W562-G565 VanDerWaalsContact O-N 3.13Å; G565-R567 VanDerWaalsContact C-N 3.3Å; G565-R567 PolarHBondContact O-N 3.17Å; G565-H568 WeakPolarHBondContact O-CB 3.4Å; G565-H568 PolarHBondContact O-N 2.99Å; G565-D569 PolarHBondContact O-N 3.09Å
566	I	75.9	Confident	79.4	Confident	26 Å²	26	88.1 Å²	88.1	13%	0.133	41%	0.414	C	S	.	.	H	α-helix	trans	-53.9	-44.6	177.1	-60.5	-58.7	0	0	0	112.4	P404 A406 W562 H568 D569 E570	P404-I566 HydrophobicContact CB-CD1 3.58Å; P404-I566 HydrophobicContact CB-CG1 3.97Å; A406-I566 HydrophobicContact CB-CD1 4.19Å; W562-I566 PolarHBondContact O-N 3.44Å; I566-H568 PolarHBondContact O-N 3.15Å; I566-D569 PolarHBondContact O-N 3.37Å; I566-E570 WeakPolarHBondContact O-CG 3.5Å; I566-E570 PolarHBondContact O-N 3.19Å
567	R	68.2	Low	78.2	Confident	171 Å²	171	94 Å²	94	65%	0.645	44%	0.442	S	S	*	.	H	α-helix	trans	-68.6	-17	178.9	-67.9	-179.6	-173	-172.2	3.2	114.4	Q563 R564 G565 L571	Q563-R567 WeakPolarHBondContact O-CG 3.22Å; Q563-R567 PolarHBondContact O-N 3.02Å; R564-R567 PolarHBondContact O-N 3.25Å; G565-R567 VanDerWaalsContact C-N 3.3Å; G565-R567 PolarHBondContact O-N 3.17Å; R567-L571 WeakPolarHBondContact O-CD1 3.42Å
568	H	62.8	Low	76.9	Confident	140 Å²	140	97.6 Å²	97.6	65%	0.648	46%	0.455	S	S	*	.	H	α-helix	trans	-88.8	-24	174.4	-82.4	-64.8	0	0	0	112.7	R564 G565 I566	R564-H568 PolarHBondContact O-CD2 2.98Å; R564-H568 PolarHBondContact O-N 3.42Å; G565-H568 WeakPolarHBondContact O-CB 3.4Å; G565-H568 PolarHBondContact O-N 2.99Å; I566-H568 PolarHBondContact O-N 3.15Å
569	D	55.3	Low	75.4	Confident	113 Å²	113	92.6 Å²	92.6	60%	0.604	44%	0.443	S	S	*	.	H	α-helix	trans	-85.2	-13.2	175.9	-62.6	-29.4	0	0	0	112.9	G565 I566	G565-D569 PolarHBondContact O-N 3.09Å; I566-D569 PolarHBondContact O-N 3.37Å
570	E	50	Low	73.7	Confident	139 Å²	139	98.5 Å²	98.5	65%	0.65	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	3.3	178.2	-71.1	176.7	171.5	0	0	114	I566	I566-E570 WeakPolarHBondContact O-CG 3.5Å; I566-E570 PolarHBondContact O-N 3.19Å
571	L	41.6	Very low	71.8	Confident	203 Å²	203	100 Å²	100	100%	1.063	47%	0.465	S	S	*	.			trans	-120.8	0	-177.1	-72.8	174.4	0	0	0	112.6	R567	R567-L571 WeakPolarHBondContact O-CD1 3.42Å

Retrieved 571 of 571 residues in 483.3 ms (Link to these results)

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