A0A096MV68_PAPAN Loading...

Beta-galactosidase-1-like protein

Probable glycosyl hydrolase.

AlphaFold DB , UniProt , Accession A0A096MV68, Species PAPAN (Papio anubis, Olive baboon), Gene GLB1L, Length 654 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.1	Very low	39.2	Very low	248 Å²	248	161.3 Å²	161.3	100%	1.222	87%	0.865	S	S	*	*				0	121.4	0	-94.3	171.7	178.5	0	0	109.1
2	A	35.8	Very low	39.4	Very low	104 Å²	104	161.2 Å²	161.2	86%	0.86	86%	0.863	S	S	*	*			trans	54.7	141.5	159.8	0	0	0	0	0	122.3
3	P	49.4	Very low	39.1	Very low	115 Å²	115	161.9 Å²	161.9	75%	0.747	87%	0.865	S	S	*	*			trans	-125.9	163.1	-154.9	32	-9	0	0	0	117
4	K	39	Very low	38.8	Very low	196 Å²	196	160.4 Å²	160.4	85%	0.852	86%	0.856	S	S	*	*			trans	31	128.5	137.6	-63.3	178.7	175.9	177.7	0	122.6
5	R	39.4	Very low	38.8	Very low	242 Å²	242	157.3 Å²	157.3	91%	0.913	85%	0.848	S	S	*	*				43.6	162.1	129.4	-74.4	-170.2	-176.7	-174.4	1.8	119.5
6	P	47.3	Very low	38.8	Very low	115 Å²	115	156.8 Å²	156.8	75%	0.747	84%	0.844	S	S	*	*			cis	-147.9	-177.7	24.8	36.3	-11.3	0	0	0	118.3
7	S	41.6	Very low	38.7	Very low	105 Å²	105	153.8 Å²	153.8	73%	0.734	84%	0.838	S	S	*	*			trans	-48.5	149.5	159.6	51.8	0	0	0	0	115.4
8	C	36	Very low	38.7	Very low	137 Å²	137	152.9 Å²	152.9	93%	0.926	83%	0.831	S	S	*	*			trans	-121.5	143.1	167.4	-137.5	0	0	0	0	112.9
9	L	35.2	Very low	38.7	Very low	154 Å²	154	151.2 Å²	151.2	81%	0.806	83%	0.826	S	S	*	*			trans	-73.3	155.2	-165.7	-99.6	68.1	0	0	0	114.9
10	R	36.9	Very low	38.8	Very low	247 Å²	247	150.7 Å²	150.7	93%	0.932	82%	0.822	S	S	*	*			trans	-66.9	132.2	152.7	-74.5	176.5	170.4	-178	-3.9	109.8
11	S	36.1	Very low	38.9	Very low	111 Å²	111	151 Å²	151	78%	0.776	82%	0.822	S	S	*	*			trans	-127.6	125.8	159.6	50.3	0	0	0	0	110
12	L	40.8	Very low	38.9	Very low	160 Å²	160	146 Å²	146	84%	0.838	80%	0.8	S	S	*	*			trans	-61.3	132.8	171.6	-91.1	74	0	0	0	110.1
13	L	36	Very low	39.2	Very low	171 Å²	171	146.6 Å²	146.6	90%	0.895	80%	0.795	S	S	*	*			trans	-104.6	111.8	162	-82.4	159.6	0	0	0	108.4
14	L	35	Very low	38.7	Very low	141 Å²	141	149.6 Å²	149.6	74%	0.738	80%	0.799	S	S	*	*			trans	-68.5	139.2	160.3	-97.7	89.4	0	0	0	108.9	L16	L14-L16 PolarHBondContact O-N 3.37Å
15	P	38.3	Very low	38.9	Very low	113 Å²	113	144.6 Å²	144.6	73%	0.734	79%	0.794	S	S	*	*			trans	-79.4	113.2	164	31.6	-26.5	0	0	0	108.5	S17	P15-S17 PolarHBondContact O-N 3.24Å
16	L	38.4	Very low	39.7	Very low	149 Å²	149	139.8 Å²	139.8	78%	0.78	79%	0.786	S	S	*	*			trans	-74.5	102.3	165.6	-141.1	86.8	0	0	0	107	L14 L18	L14-L16 PolarHBondContact O-N 3.37Å; L16-L18 VanDerWaalsContact C-N 3.27Å; L16-L18 HydrophobicContact CD2-CD1 4.43Å; L16-L18 PolarHBondContact O-N 2.87Å
17	S	38.5	Very low	41.3	Very low	106 Å²	106	140 Å²	140	74%	0.741	79%	0.785	S	S	*	*			trans	-67.4	86.2	171.8	-50.4	0	0	0	0	109.1	P15 T19	P15-S17 PolarHBondContact O-N 3.24Å; S17-T19 VanDerWaalsContact C-N 3.28Å; S17-T19 PolarHBondContact O-N 2.99Å
18	L	38.4	Very low	43.8	Very low	138 Å²	138	139.4 Å²	139.4	72%	0.723	77%	0.767	S	S	*	*			trans	-73.2	88	168.4	-145.1	85.3	0	0	0	107.1	L16 L20	L16-L18 VanDerWaalsContact C-N 3.27Å; L16-L18 HydrophobicContact CD2-CD1 4.43Å; L16-L18 PolarHBondContact O-N 2.87Å; L18-L20 PolarHBondContact O-N 2.88Å
19	T	38.9	Very low	46.7	Very low	120 Å²	120	134.4 Å²	134.4	74%	0.736	73%	0.734	S	S	*	*			trans	-62.5	93.5	161.9	40.7	0	0	0	0	107.2	S17 L21	S17-T19 VanDerWaalsContact C-N 3.28Å; S17-T19 PolarHBondContact O-N 2.99Å; T19-L21 PolarHBondContact O-N 2.88Å
20	L	40.3	Very low	49.7	Very low	142 Å²	142	127.7 Å²	127.7	74%	0.743	70%	0.698	S	S	*	*			trans	-56.3	95.8	157.1	-89.2	143.3	0	0	0	106.5	L18 L22	L18-L20 PolarHBondContact O-N 2.88Å; L20-L22 PolarHBondContact O-N 2.83Å
21	L	40.6	Very low	52.6	Low	158 Å²	158	120 Å²	120	83%	0.827	68%	0.675	S	S	*	*			trans	-60	86.8	152.4	-84.4	143.7	0	0	0	105.7	T19	T19-L21 PolarHBondContact O-N 2.88Å
22	L	35.9	Very low	55.6	Low	142 Å²	142	116.4 Å²	116.4	74%	0.743	65%	0.648	S	S	*	*			trans	-51.4	123.5	156	-77	158.9	0	0	0	105.1	L20 Q24	L20-L22 PolarHBondContact O-N 2.83Å; L22-Q24 PolarHBondContact O-N 3.09Å
23	P	40.5	Very low	58.3	Low	117 Å²	117	109.7 Å²	109.7	76%	0.76	61%	0.613	S	S	*	*			trans	-53.1	122.8	168	-7.4	16.7	0	0	0	105.9	A25	P23-A25 PolarHBondContact O-N 3.02Å; P23-A25 VanDerWaalsContact O-N 3.09Å
24	Q	40.4	Very low	61.2	Low	178 Å²	178	106.2 Å²	106.2	83%	0.832	59%	0.588	S	S	*	*			trans	-43.3	122.1	164.1	-128.9	169.3	-18.5	0	0	105.8	L22 D26	L22-Q24 PolarHBondContact O-N 3.09Å; Q24-D26 PolarHBondContact O-N 2.97Å
25	A	42.8	Very low	64	Low	90 Å²	90	106.5 Å²	106.5	74%	0.744	59%	0.59	S	S	*	*			trans	-55.4	106.4	178.2	0	0	0	0	0	107.6	P23 T27	P23-A25 PolarHBondContact O-N 3.02Å; P23-A25 VanDerWaalsContact O-N 3.09Å; A25-T27 PolarHBondContact O-N 2.85Å
26	D	55.5	Low	66.8	Low	142 Å²	142	106.4 Å²	106.4	76%	0.759	58%	0.58	S	S	*	*			trans	-56.7	111.2	176.5	-91.6	-33.4	0	0	0	107.1	Q24 R28	Q24-D26 PolarHBondContact O-N 2.97Å; D26-R28 PolarHBondContact O-N 2.81Å; D26-R28 VanDerWaalsContact O-N 3.08Å
27	T	80.7	Confident	69.6	Low	118 Å²	118	102.4 Å²	102.4	72%	0.724	56%	0.559	S	S	*	*			trans	-69.5	111.6	-177.5	50.1	0	0	0	0	108	A25 S29	A25-T27 PolarHBondContact O-N 2.85Å; T27-S29 PolarHBondContact O-N 3.33Å; T27-S29 PolarHBondContact O-OG 3.41Å
28	R	95.4	Very high	72.4	Confident	94 Å²	94	101.5 Å²	101.5	36%	0.355	54%	0.539	S	S	.	.			trans	-47.1	123	177.6	-70.7	-179.4	67.2	-176.2	-6.3	110.9	D26 D42 Y172 H173 G175 G176	D26-R28 PolarHBondContact O-N 2.81Å; D26-R28 VanDerWaalsContact O-N 3.08Å; R28-D42 WeakPolarHBondContact CA-OD1 3.32Å; R28-Y172 HydrophobicContact CB-CD1 4.14Å; R28-Y172 HydrophobicContact CB-CE1 3.93Å; R28-Y172 PolarHBondContact NE-O 3.35Å; R28-H173 WeakPolarHBondContact O-CA 3.47Å; R28-H173 VanDerWaalsContact O-CB 3.3Å; R28-H173 WeakPolarHBondContact O-CB 3.13Å; R28-G175 VanDerWaalsContact NH1-CA 3.3Å; R28-G175 PolarHBondContact NH1-O 3.35Å; R28-G176 PolarHBondContact NH2-O 2.87Å
29	S	96.9	Very high	75.3	Confident	32 Å²	32	95 Å²	95	22%	0.224	51%	0.505	C	S	.	.			trans	-147.8	147.6	-173	58.8	0	0	0	0	112.2	T27 L41 D42	T27-S29 PolarHBondContact O-N 3.33Å; T27-S29 PolarHBondContact O-OG 3.41Å; S29-L41 WeakPolarHBondContact O-CA 3.26Å; S29-D42 PolarHBondContact N-OD1 3.25Å; S29-D42 PolarHBondContact O-N 3.31Å
30	F	98.4	Very high	78.1	Confident	13 Å²	13	90.5 Å²	90.5	6%	0.057	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	112.3	171.9	-175.7	-102.8	0	0	0	107.9	F39 L40 L41 F46 Y172 I179 L214	F30-F39 AromaticContact CE1-CD1 3.8Å; F30-F39 HydrophobicContact CE1-CD1 3.8Å; F30-F39 HydrophobicContact CE1-CE1 4.06Å; F30-F39 HydrophobicContact CE1-CG 4.27Å; F30-F39 HydrophobicContact CE2-CB 3.82Å; F30-F39 HydrophobicContact CE2-CD1 4.34Å; F30-F39 HydrophobicContact CE2-CG 4.06Å; F30-F39 HydrophobicContact CZ-CB 3.84Å; F30-F39 AromaticContact CZ-CD1 3.55Å; F30-F39 HydrophobicContact CZ-CD1 3.55Å; F30-F39 HydrophobicContact CZ-CD2 4.03Å; F30-F39 HydrophobicContact CZ-CE1 4.05Å; F30-F39 HydrophobicContact CZ-CE2 4.48Å; F30-F39 AromaticContact CZ-CG 3.54Å; F30-F39 HydrophobicContact CZ-CG 3.54Å; F30-F39 HydrophobicContact CZ-CZ 4.49Å; F30-L40 WeakPolarHBondContact CA-O 3.25Å; F30-L41 HydrophobicContact CB-CD1 4.38Å; F30-L41 HydrophobicContact CD2-CB 4.4Å; F30-L41 HydrophobicContact CD2-CD1 3.71Å; F30-F46 AromaticContact CE2-CD1 3.6Å; F30-F46 HydrophobicContact CE2-CD1 3.6Å; F30-F46 AromaticContact CE2-CE1 3.87Å; F30-F46 HydrophobicContact CE2-CE1 3.87Å; F30-F46 HydrophobicContact CZ-CD1 4.41Å; F30-Y172 HydrophobicContact CB-CD1 4.48Å; F30-I179 HydrophobicContact CB-CB 4.27Å; F30-I179 HydrophobicContact CB-CG2 4.31Å; F30-I179 HydrophobicContact CD1-CB 3.85Å; F30-I179 WeakPolarHBondContact CD1-O 3.47Å; F30-I179 HydrophobicContact CD2-CB 4.11Å; F30-I179 HydrophobicContact CD2-CG2 4.2Å; F30-I179 HydrophobicContact CE1-CB 4.16Å; F30-I179 HydrophobicContact CE1-CD1 4.37Å; F30-I179 HydrophobicContact CE2-CB 4.39Å; F30-I179 HydrophobicContact CE2-CD1 4.05Å; F30-I179 HydrophobicContact CG-CB 3.8Å; F30-I179 HydrophobicContact CG-CG2 4.15Å; F30-I179 HydrophobicContact CZ-CB 4.42Å; F30-I179 HydrophobicContact CZ-CD1 3.95Å; F30-L214 HydrophobicContact CD1-CB 4.35Å; F30-L214 HydrophobicContact CD1-CD2 4.28Å; F30-L214 HydrophobicContact CE1-CD2 3.76Å
31	I	97.4	Very high	80.9	Confident	86 Å²	86	85.2 Å²	85.2	44%	0.441	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	156.8	-171.3	63.4	171.7	0	0	0	111.9	F39 L40	I31-F39 WeakPolarHBondContact O-CA 3.33Å; I31-L40 HydrophobicContact CD1-CB 4.33Å; I31-L40 HydrophobicContact CD1-CD1 3.96Å; I31-L40 HydrophobicContact CG1-CB 3.76Å; I31-L40 HydrophobicContact CG1-CD1 4.22Å; I31-L40 HydrophobicContact CG1-CG 4.34Å; I31-L40 PolarHBondContact N-O 3.45Å; I31-L40 PolarHBondContact O-N 3.16Å
32	V	98.1	Very high	83.6	Confident	34 Å²	34	80.9 Å²	80.9	21%	0.206	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	111.3	172.3	-173.9	0	0	0	0	108.7	R34 F39 L214 Y233	V32-R34 HydrophobicContact CG1-CG 3.84Å; V32-R34 PolarHBondContact O-N 3.07Å; V32-F39 HydrophobicContact CG2-CD1 4.09Å; V32-F39 HydrophobicContact CG2-CE1 3.84Å; V32-L214 HydrophobicContact CG2-CD1 3.66Å; V32-L214 HydrophobicContact CG2-CD2 3.95Å; V32-L214 HydrophobicContact CG2-CG 4.45Å; V32-Y233 HydrophobicContact CG1-CD2 4.33Å; V32-Y233 HydrophobicContact CG1-CE2 3.86Å; V32-Y233 HydrophobicContact CG2-CD2 4.25Å; V32-Y233 HydrophobicContact CG2-CE2 4.47Å
33	D	97.5	Very high	86.5	Confident	20 Å²	20	76.6 Å²	76.6	11%	0.107	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	89.7	170.7	175.5	9	0	0	0	108	D35 H36 D37 R38 L40	D33-D35 VanDerWaalsContact C-N 3.3Å; D33-D35 PolarHBondContact O-N 3.11Å; D33-D35 PolarHBondContact OD1-N 3.44Å; D33-H36 PolarHBondContact O-N 2.96Å; D33-H36 IonicContact OD1-CE1 3.95Å; D33-H36 IonicContact OD1-CG 3.41Å; D33-H36 PolarHBondContact OD1-N 2.83Å; D33-H36 IonicContact OD1-ND1 2.88Å; D33-H36 PolarHBondContact OD1-ND1 2.87Å; D33-H36 WeakPolarHBondContact OD2-CB 3.4Å; D33-H36 IonicContact OD2-CE1 3.25Å; D33-H36 IonicContact OD2-CG 2.88Å; D33-H36 IonicContact OD2-ND1 3.92Å; D33-H36 PolarHBondContact OD2-ND1 3.36Å; D33-D37 PolarHBondContact O-N 3.19Å; D33-D37 VanDerWaalsContact O-N 3.11Å; D33-R38 HydrophobicContact CB-CG 3.93Å; D33-R38 PolarHBondContact N-O 3.28Å; D33-R38 PolarHBondContact O-N 3.33Å; D33-R38 VanDerWaalsContact O-N 3.14Å; D33-R38 IonicContact OD2-CZ 2.69Å; D33-R38 IonicContact OD2-NE 3.85Å; D33-R38 PolarHBondContact OD2-NE 2.76Å; D33-R38 IonicContact OD2-NH2 3.51Å; D33-R38 PolarHBondContact OD2-NH2 2.88Å; D33-L40 HydrophobicContact CB-CD1 3.82Å; D33-L40 HydrophobicContact CB-CD2 4.37Å; D33-L40 HydrophobicContact CB-CG 3.77Å
34	R	96.4	Very high	89.2	Confident	98 Å²	98	73.5 Å²	73.5	37%	0.37	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-65.6	-33.4	-177	-71.9	-173.2	174.8	-85.2	7.5	111.9	V32 H36 D37 E255 H257	V32-R34 HydrophobicContact CG1-CG 3.84Å; V32-R34 PolarHBondContact O-N 3.07Å; R34-H36 PolarHBondContact O-N 2.69Å; R34-D37 PolarHBondContact O-N 3.49Å; R34-E255 IonicContact CZ-OE2 2.83Å; R34-E255 VanDerWaalsContact CZ-OE2 3.24Å; R34-E255 IonicContact NH1-OE2 3.24Å; R34-E255 PolarHBondContact NH1-OE2 3.49Å; R34-E255 IonicContact NH2-OE1 3.56Å; R34-E255 IonicContact NH2-OE2 3.9Å; R34-E255 PolarHBondContact NH2-OE2 3.14Å; R34-H257 HydrophobicContact CB-CB 3.89Å; R34-H257 HydrophobicContact CG-CB 4.41Å; R34-H257 PolarHBondContact NH1-O 3.47Å; R34-H257 WeakPolarHBondContact O-CB 3.43Å
35	D	95.2	Very high	91.9	Very high	147 Å²	147	69.3 Å²	69.3	79%	0.786	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-68	-25	-177.3	-62.6	-26.1	0	0	0	112.4	D33	D33-D35 VanDerWaalsContact C-N 3.3Å; D33-D35 PolarHBondContact O-N 3.11Å; D33-D35 PolarHBondContact OD1-N 3.44Å
36	H	96.7	Very high	94.6	Very high	111 Å²	111	66.7 Å²	66.7	51%	0.514	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-120.6	16	-178.8	-50.9	92.4	0	0	0	113.7	D33 R34 R38	D33-H36 PolarHBondContact O-N 2.96Å; D33-H36 IonicContact OD1-CE1 3.95Å; D33-H36 IonicContact OD1-CG 3.41Å; D33-H36 PolarHBondContact OD1-N 2.83Å; D33-H36 IonicContact OD1-ND1 2.88Å; D33-H36 PolarHBondContact OD1-ND1 2.87Å; D33-H36 WeakPolarHBondContact OD2-CB 3.4Å; D33-H36 IonicContact OD2-CE1 3.25Å; D33-H36 IonicContact OD2-CG 2.88Å; D33-H36 IonicContact OD2-ND1 3.92Å; D33-H36 PolarHBondContact OD2-ND1 3.36Å; R34-H36 PolarHBondContact O-N 2.69Å; H36-R38 VanDerWaalsContact C-N 3.3Å; H36-R38 HydrophobicContact CB-CG 4.07Å; H36-R38 PolarHBondContact CD2-NH2 2.88Å; H36-R38 PolarHBondContact ND1-NH2 2.85Å; H36-R38 PolarHBondContact O-N 3.25Å
37	D	97.6	Very high	96.6	Very high	65 Å²	65	62.5 Å²	62.5	35%	0.348	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	44.1	177.5	-76.4	-3.6	0	0	0	114.3	D33 R34 R252 H257 G258 P259	D33-D37 PolarHBondContact O-N 3.19Å; D33-D37 VanDerWaalsContact O-N 3.11Å; R34-D37 PolarHBondContact O-N 3.49Å; D37-R252 IonicContact OD1-NH2 3.75Å; D37-R252 IonicContact OD2-CZ 2.77Å; D37-R252 IonicContact OD2-NH2 3.74Å; D37-R252 PolarHBondContact OD2-NH2 2.79Å; D37-H257 WeakPolarHBondContact OD1-CA 3.22Å; D37-G258 PolarHBondContact OD1-N 3.15Å; D37-P259 VanDerWaalsContact O-CA 3.25Å; D37-P259 WeakPolarHBondContact O-CA 3.42Å
38	R	97.7	Very high	97.5	Very high	86 Å²	86	57.1 Å²	57.1	33%	0.325	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	165.6	-176.1	64.9	-171.5	169.2	-164.8	-10	113.1	D33 H36 L40	D33-R38 HydrophobicContact CB-CG 3.93Å; D33-R38 PolarHBondContact N-O 3.28Å; D33-R38 PolarHBondContact O-N 3.33Å; D33-R38 VanDerWaalsContact O-N 3.14Å; D33-R38 IonicContact OD2-CZ 2.69Å; D33-R38 IonicContact OD2-NE 3.85Å; D33-R38 PolarHBondContact OD2-NE 2.76Å; D33-R38 IonicContact OD2-NH2 3.51Å; D33-R38 PolarHBondContact OD2-NH2 2.88Å; H36-R38 VanDerWaalsContact C-N 3.3Å; H36-R38 HydrophobicContact CB-CG 4.07Å; H36-R38 PolarHBondContact CD2-NH2 2.88Å; H36-R38 PolarHBondContact ND1-NH2 2.85Å; H36-R38 PolarHBondContact O-N 3.25Å; R38-L40 HydrophobicContact CG-CD2 4.37Å
39	F	98.6	Very high	97.6	Very high	3 Å²	3	52.6 Å²	52.6	1%	0.013	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	152.3	162.9	-62.6	-68.1	0	0	0	110	F30 I31 V32 F46 Y48 L214 P259 V261	F30-F39 AromaticContact CE1-CD1 3.8Å; F30-F39 HydrophobicContact CE1-CD1 3.8Å; F30-F39 HydrophobicContact CE1-CE1 4.06Å; F30-F39 HydrophobicContact CE1-CG 4.27Å; F30-F39 HydrophobicContact CE2-CB 3.82Å; F30-F39 HydrophobicContact CE2-CD1 4.34Å; F30-F39 HydrophobicContact CE2-CG 4.06Å; F30-F39 HydrophobicContact CZ-CB 3.84Å; F30-F39 AromaticContact CZ-CD1 3.55Å; F30-F39 HydrophobicContact CZ-CD1 3.55Å; F30-F39 HydrophobicContact CZ-CD2 4.03Å; F30-F39 HydrophobicContact CZ-CE1 4.05Å; F30-F39 HydrophobicContact CZ-CE2 4.48Å; F30-F39 AromaticContact CZ-CG 3.54Å; F30-F39 HydrophobicContact CZ-CG 3.54Å; F30-F39 HydrophobicContact CZ-CZ 4.49Å; I31-F39 WeakPolarHBondContact O-CA 3.33Å; V32-F39 HydrophobicContact CG2-CD1 4.09Å; V32-F39 HydrophobicContact CG2-CE1 3.84Å; F39-F46 HydrophobicContact CB-CB 4.45Å; F39-F46 HydrophobicContact CB-CD1 4.29Å; F39-F46 WeakPolarHBondContact CB-O 3.27Å; F39-F46 PolarHBondContact N-O 3.4Å; F39-F46 PolarHBondContact O-N 2.75Å; F39-Y48 HydrophobicContact CD2-CD1 4.26Å; F39-Y48 HydrophobicContact CD2-CE1 4.15Å; F39-Y48 AromaticContact CE2-CD1 4Å; F39-Y48 HydrophobicContact CE2-CD1 4Å; F39-Y48 AromaticContact CE2-CE1 3.44Å; F39-Y48 HydrophobicContact CE2-CE1 3.44Å; F39-Y48 VanDerWaalsContact CE2-CE1 3.44Å; F39-Y48 AromaticContact CZ-CE1 3.98Å; F39-Y48 HydrophobicContact CZ-CE1 3.98Å; F39-L214 HydrophobicContact CD1-CD2 4.39Å; F39-L214 HydrophobicContact CE1-CD2 3.63Å; F39-L214 HydrophobicContact CZ-CD2 4.38Å; F39-P259 HydrophobicContact CD1-CG 3.75Å; F39-P259 HydrophobicContact CD2-CB 4.01Å; F39-P259 HydrophobicContact CD2-CG 3.61Å; F39-P259 HydrophobicContact CE1-CG 3.51Å; F39-P259 HydrophobicContact CE2-CB 3.83Å; F39-P259 HydrophobicContact CE2-CG 3.36Å; F39-P259 HydrophobicContact CG-CG 3.8Å; F39-P259 HydrophobicContact CZ-CB 4.24Å; F39-P259 HydrophobicContact CZ-CG 3.31Å; F39-V261 HydrophobicContact CE2-CG2 3.97Å; F39-V261 HydrophobicContact CZ-CG2 3.89Å
40	L	98.4	Very high	97.7	Very high	24 Å²	24	51.1 Å²	51.1	13%	0.126	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.8	164.3	-55	174.5	0	0	0	108.9	F30 I31 D33 R38 A44 P45	F30-L40 WeakPolarHBondContact CA-O 3.25Å; I31-L40 HydrophobicContact CD1-CB 4.33Å; I31-L40 HydrophobicContact CD1-CD1 3.96Å; I31-L40 HydrophobicContact CG1-CB 3.76Å; I31-L40 HydrophobicContact CG1-CD1 4.22Å; I31-L40 HydrophobicContact CG1-CG 4.34Å; I31-L40 PolarHBondContact N-O 3.45Å; I31-L40 PolarHBondContact O-N 3.16Å; D33-L40 HydrophobicContact CB-CD1 3.82Å; D33-L40 HydrophobicContact CB-CD2 4.37Å; D33-L40 HydrophobicContact CB-CG 3.77Å; R38-L40 HydrophobicContact CG-CD2 4.37Å; L40-A44 CarbonylContact C-O 3.52Å; L40-A44 WeakPolarHBondContact CA-O 3.38Å; L40-P45 HydrophobicContact CD2-CG 4.27Å
41	L	98.1	Very high	97.8	Very high	31 Å²	31	50.5 Å²	50.5	16%	0.162	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	116	169.3	-173.6	75.6	0	0	0	106.9	S29 F30 G43 A44 F46 L115 Y172 I179	S29-L41 WeakPolarHBondContact O-CA 3.26Å; F30-L41 HydrophobicContact CB-CD1 4.38Å; F30-L41 HydrophobicContact CD2-CB 4.4Å; F30-L41 HydrophobicContact CD2-CD1 3.71Å; L41-G43 PolarHBondContact O-N 2.88Å; L41-A44 PolarHBondContact N-O 3.27Å; L41-A44 WeakPolarHBondContact O-CB 3.25Å; L41-A44 PolarHBondContact O-N 2.88Å; L41-F46 HydrophobicContact CB-CB 3.64Å; L41-F46 HydrophobicContact CB-CD1 4.44Å; L41-F46 HydrophobicContact CB-CD2 3.91Å; L41-F46 HydrophobicContact CB-CG 3.74Å; L41-F46 HydrophobicContact CD2-CD2 3.74Å; L41-F46 HydrophobicContact CD2-CE2 3.89Å; L41-F46 HydrophobicContact CD2-CG 4.35Å; L41-F46 HydrophobicContact CG-CD2 4.45Å; L41-L115 HydrophobicContact CD1-CD1 4.39Å; L41-L115 HydrophobicContact CD2-CD1 4.01Å; L41-Y172 HydrophobicContact CD1-CD1 4.19Å; L41-Y172 HydrophobicContact CD1-CE1 3.53Å; L41-Y172 HydrophobicContact CD1-CE2 3.98Å; L41-Y172 VanDerWaalsContact CD1-CZ 3.42Å; L41-Y172 HydrophobicContact CG-CE1 4.34Å; L41-I179 HydrophobicContact CD1-CG2 4.3Å
42	D	97.8	Very high	97.8	Very high	67 Å²	67	46.4 Å²	46.4	36%	0.358	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	41.9	-175.6	-58.7	-22.3	0	0	0	112.8	R28 S29 A44 Y172	R28-D42 WeakPolarHBondContact CA-OD1 3.32Å; S29-D42 PolarHBondContact N-OD1 3.25Å; S29-D42 PolarHBondContact O-N 3.31Å; D42-A44 PolarHBondContact O-N 3.26Å; D42-Y172 WeakPolarHBondContact OD1-CE1 3.35Å; D42-Y172 PolarHBondContact OD2-OH 2.97Å
43	G	96.9	Very high	97.9	Very high	52 Å²	52	44.9 Å²	44.9	54%	0.536	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	-9.4	-178.1	0	0	0	0	0	115.3	L41	L41-G43 PolarHBondContact O-N 2.88Å
44	A	97.3	Very high	97.9	Very high	53 Å²	53	43.9 Å²	43.9	44%	0.438	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	140.8	179	0	0	0	0	0	112.2	L40 L41 D42 F46	L40-A44 CarbonylContact C-O 3.52Å; L40-A44 WeakPolarHBondContact CA-O 3.38Å; L41-A44 PolarHBondContact N-O 3.27Å; L41-A44 WeakPolarHBondContact O-CB 3.25Å; L41-A44 PolarHBondContact O-N 2.88Å; D42-A44 PolarHBondContact O-N 3.26Å; A44-F46 PolarHBondContact O-N 3.08Å
45	P	97.7	Very high	98	Very high	90 Å²	90	39.2 Å²	39.2	58%	0.584	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-50.2	127.7	172.7	-29.5	37.1	0	0	0	113	L40	L40-P45 HydrophobicContact CD2-CG 4.27Å
46	F	98.3	Very high	98.2	Very high	35 Å²	35	32.7 Å²	32.7	15%	0.154	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	145.2	-175.2	-179.4	-92.6	0	0	0	111.8	F30 F39 L41 A44 Y48 L115 I179	F30-F46 AromaticContact CE2-CD1 3.6Å; F30-F46 HydrophobicContact CE2-CD1 3.6Å; F30-F46 AromaticContact CE2-CE1 3.87Å; F30-F46 HydrophobicContact CE2-CE1 3.87Å; F30-F46 HydrophobicContact CZ-CD1 4.41Å; F39-F46 HydrophobicContact CB-CB 4.45Å; F39-F46 HydrophobicContact CB-CD1 4.29Å; F39-F46 WeakPolarHBondContact CB-O 3.27Å; F39-F46 PolarHBondContact N-O 3.4Å; F39-F46 PolarHBondContact O-N 2.75Å; L41-F46 HydrophobicContact CB-CB 3.64Å; L41-F46 HydrophobicContact CB-CD1 4.44Å; L41-F46 HydrophobicContact CB-CD2 3.91Å; L41-F46 HydrophobicContact CB-CG 3.74Å; L41-F46 HydrophobicContact CD2-CD2 3.74Å; L41-F46 HydrophobicContact CD2-CE2 3.89Å; L41-F46 HydrophobicContact CD2-CG 4.35Å; L41-F46 HydrophobicContact CG-CD2 4.45Å; A44-F46 PolarHBondContact O-N 3.08Å; F46-Y48 HydrophobicContact CE1-CD1 4.36Å; F46-L115 HydrophobicContact CE1-CD1 4.29Å; F46-L115 HydrophobicContact CE2-CD1 3.93Å; F46-L115 HydrophobicContact CZ-CD1 3.52Å; F46-I179 HydrophobicContact CE1-CD1 4.41Å
47	R	98.1	Very high	98.3	Very high	54 Å²	54	27.5 Å²	27.5	20%	0.204	16%	0.158	C	C	.	.			trans	-138.1	127.5	171.2	179.2	-163.3	66.4	-138.1	-6.9	107.6	N76 A297 S298 F355	R47-N76 PolarHBondContact O-ND2 2.95Å; R47-A297 WeakPolarHBondContact CD-O 3.43Å; R47-S298 WeakPolarHBondContact CG-OG 3.5Å; R47-F355 PolarHBondContact NH2-O 2.69Å; R47-F355 VanDerWaalsContact NH2-O 3.12Å
48	Y	98.6	Very high	98.3	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.016	14%	0.143	C	C	.	.			trans	-84.5	141	171.7	58.7	-99.4	0	0	0	111.4	F39 F46 N76 I117 V261 S298 V299	F39-Y48 HydrophobicContact CD2-CD1 4.26Å; F39-Y48 HydrophobicContact CD2-CE1 4.15Å; F39-Y48 AromaticContact CE2-CD1 4Å; F39-Y48 HydrophobicContact CE2-CD1 4Å; F39-Y48 AromaticContact CE2-CE1 3.44Å; F39-Y48 HydrophobicContact CE2-CE1 3.44Å; F39-Y48 VanDerWaalsContact CE2-CE1 3.44Å; F39-Y48 AromaticContact CZ-CE1 3.98Å; F39-Y48 HydrophobicContact CZ-CE1 3.98Å; F46-Y48 HydrophobicContact CE1-CD1 4.36Å; Y48-N76 VanDerWaalsContact CA-OD1 3.3Å; Y48-N76 WeakPolarHBondContact CA-OD1 3.37Å; Y48-I117 HydrophobicContact CD1-CD1 4.21Å; Y48-I117 HydrophobicContact CD2-CD1 3.65Å; Y48-I117 HydrophobicContact CE1-CD1 4.14Å; Y48-I117 HydrophobicContact CE2-CD1 3.57Å; Y48-I117 HydrophobicContact CG-CD1 3.96Å; Y48-V261 WeakPolarHBondContact OH-CG1 3.25Å; Y48-S298 VanDerWaalsContact CZ-CB 3.48Å; Y48-S298 PolarHBondContact N-OG 3.48Å; Y48-S298 WeakPolarHBondContact O-CA 3.47Å; Y48-V299 PolarHBondContact O-N 2.93Å
49	V	98.8	Very high	98.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	103.1	161.4	-177.1	0	0	0	0	105.2	L75 N76 L293 V299 M301 I352	V49-L75 HydrophobicContact CG1-CD2 3.85Å; V49-L75 WeakPolarHBondContact O-CA 3.37Å; V49-L75 WeakPolarHBondContact O-CB 3.26Å; V49-N76 PolarHBondContact N-OD1 3.04Å; V49-N76 PolarHBondContact O-N 3.1Å; V49-N76 VanDerWaalsContact O-N 3.15Å; V49-N76 PolarHBondContact O-OD1 3.3Å; V49-L293 HydrophobicContact CG2-CD2 3.75Å; V49-V299 HydrophobicContact CG1-CG1 4.23Å; V49-M301 HydrophobicContact CG1-CE 3.94Å; V49-I352 HydrophobicContact CG1-CD1 4.02Å; V49-I352 HydrophobicContact CG1-CG1 4.1Å
50	S	98.9	Very high	98.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	161.7	-169.5	-170.8	0	0	0	0	111.3	A77 I78 Q79 V299 N300 M301	S50-A77 WeakPolarHBondContact CA-O 3.22Å; S50-A77 PolarHBondContact OG-O 2.8Å; S50-I78 WeakPolarHBondContact OG-CA 3.24Å; S50-Q79 PolarHBondContact OG-N 2.87Å; S50-V299 PolarHBondContact N-O 3.34Å; S50-N300 WeakPolarHBondContact O-CA 3.25Å; S50-N300 PolarHBondContact OG-OD1 3.17Å; S50-M301 WeakPolarHBondContact O-CE 3.4Å; S50-M301 PolarHBondContact O-N 3.01Å
51	G	98.9	Very high	98.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	142.5	172.5	0	0	0	0	0	110.6	M70 I78 Q79 N300	G51-M70 WeakPolarHBondContact O-CE 3.37Å; G51-I78 WeakPolarHBondContact O-CA 3.5Å; G51-Q79 PolarHBondContact O-N 3.23Å; G51-N300 VanDerWaalsContact C-OD1 3.25Å; G51-N300 WeakPolarHBondContact CA-OD1 3.49Å; G51-N300 PolarHBondContact N-OD1 2.96Å
52	S	98.9	Very high	98	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.007	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	130.4	178	-68.7	0	0	0	0	111.6	Q79 N300 M301 Y302 M303 F304 H305	S52-Q79 VanDerWaalsContact CA-O 3.25Å; S52-Q79 WeakPolarHBondContact CA-O 3.22Å; S52-Q79 PolarHBondContact OG-NE2 2.75Å; S52-N300 PolarHBondContact N-OD1 3.36Å; S52-N300 PolarHBondContact OG-ND2 2.97Å; S52-N300 PolarHBondContact OG-OD1 3.44Å; S52-M301 PolarHBondContact N-O 2.8Å; S52-Y302 WeakPolarHBondContact OG-CD2 3.49Å; S52-M303 WeakPolarHBondContact O-CE 3.27Å; S52-F304 PolarHBondContact O-N 3.17Å; S52-H305 PolarHBondContact O-N 3.41Å; S52-H305 VanDerWaalsContact O-N 3.14Å
53	L	98.8	Very high	98.1	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	125.1	172.1	-179.7	153.3	0	0	0	109.6	V58 R66 M70 Q79 F80 F105 H305	L53-V58 HydrophobicContact CD2-CG2 4.25Å; L53-V58 HydrophobicContact CG-CG2 4.45Å; L53-R66 HydrophobicContact CD1-CB 3.33Å; L53-R66 HydrophobicContact CD1-CG 4.14Å; L53-M70 HydrophobicContact CB-CE 4.02Å; L53-M70 HydrophobicContact CB-SD 3.68Å; L53-M70 HydrophobicContact CD1-SD 3.53Å; L53-M70 VanDerWaalsContact CD1-SD 3.53Å; L53-M70 HydrophobicContact CG-SD 4.25Å; L53-Q79 PolarHBondContact N-O 2.91Å; L53-Q79 VanDerWaalsContact N-O 3.07Å; L53-F80 WeakPolarHBondContact O-CB 3.44Å; L53-F105 HydrophobicContact CD2-CE2 3.76Å; L53-F105 HydrophobicContact CD2-CZ 3.5Å; L53-F105 VanDerWaalsContact CD2-CZ 3.5Å; L53-H305 HydrophobicContact CD1-CB 4.01Å; L53-H305 HydrophobicContact CG-CB 4.33Å
54	H	98.8	Very high	98.1	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.143	C	C	.	.			trans	-98.2	110.3	-177.7	-63.9	162.5	0	0	0	111.7	F56 R57 V58 Y81 Y302 M303	H54-F56 HydrophobicContact CB-CD1 4.08Å; H54-F56 HydrophobicContact CB-CD2 4.24Å; H54-F56 HydrophobicContact CB-CE1 3.63Å; H54-F56 HydrophobicContact CB-CE2 3.85Å; H54-F56 HydrophobicContact CB-CG 4.39Å; H54-F56 HydrophobicContact CB-CZ 3.54Å; H54-F56 AromaticContact CG-CE1 3.86Å; H54-F56 AromaticContact CG-CZ 3.53Å; H54-F56 AromaticContact ND1-CZ 3.64Å; H54-F56 PolarHBondContact O-N 3.49Å; H54-F56 VanDerWaalsContact O-N 3.09Å; H54-R57 HydrophobicContact CB-CB 4.19Å; H54-R57 HydrophobicContact CB-CG 4.15Å; H54-R57 PolarHBondContact ND1-NH1 2.88Å; H54-R57 VanDerWaalsContact ND1-NH1 3.18Å; H54-R57 PolarHBondContact O-N 3.25Å; H54-V58 PolarHBondContact O-N 2.96Å; H54-Y81 AromaticContact CE1-CD2 3.53Å; H54-Y81 AromaticContact CE1-CE2 3.94Å; H54-Y81 AromaticContact NE2-CD2 3.3Å; H54-Y81 VanDerWaalsContact NE2-CD2 3.3Å; H54-Y81 WeakPolarHBondContact NE2-CD2 3.22Å; H54-Y81 AromaticContact NE2-CE2 3.83Å; H54-Y302 AromaticContact CE1-CE2 3.74Å; H54-Y302 AromaticContact CE1-CZ 4Å; H54-Y302 AromaticContact NE2-CE2 3.82Å; H54-M303 HydrophobicContact CB-CE 4.5Å; H54-M303 VanDerWaalsContact CE1-SD 3.52Å
55	Y	98.8	Very high	98.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-58.3	-26.8	-179.4	68.9	-91.1	0	0	0	113.3	R57 V58 W63 F80 Y81 Y86 H87 L102 F105	Y55-R57 VanDerWaalsContact C-N 3.3Å; Y55-R57 PolarHBondContact O-N 3.36Å; Y55-V58 PolarHBondContact O-N 3.34Å; Y55-W63 HydrophobicContact CD2-CZ2 4.07Å; Y55-W63 HydrophobicContact CG-CZ2 4.4Å; Y55-W63 PolarHBondContact O-NE1 2.96Å; Y55-W63 VanDerWaalsContact O-NE1 3.16Å; Y55-F80 AromaticContact CD1-CD2 3.73Å; Y55-F80 HydrophobicContact CD1-CD2 3.73Å; Y55-F80 HydrophobicContact CD1-CE2 4.02Å; Y55-F80 AromaticContact CE1-CD2 3.75Å; Y55-F80 HydrophobicContact CE1-CD2 3.75Å; Y55-F80 AromaticContact CE1-CE2 3.89Å; Y55-F80 HydrophobicContact CE1-CE2 3.89Å; Y55-Y81 VanDerWaalsContact CE1-O 3.28Å; Y55-Y81 WeakPolarHBondContact CE1-O 3.4Å; Y55-Y86 HydrophobicContact CE2-CE1 4.47Å; Y55-H87 AromaticContact CE2-NE2 3.85Å; Y55-H87 AromaticContact CZ-NE2 3.62Å; Y55-H87 PolarHBondContact OH-NE2 3.19Å; Y55-L102 HydrophobicContact CE1-CD1 4.09Å; Y55-F105 AromaticContact CD1-CD1 3.87Å; Y55-F105 HydrophobicContact CD1-CD1 3.87Å; Y55-F105 HydrophobicContact CD1-CE1 4.19Å; Y55-F105 HydrophobicContact CD1-CG 4.42Å; Y55-F105 HydrophobicContact CG-CD1 4.09Å; Y55-F105 HydrophobicContact CG-CG 4.19Å
56	F	98.6	Very high	98.2	Very high	9 Å²	9	20.8 Å²	20.8	4%	0.039	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-79	-10	177.9	55.7	-96.3	0	0	0	113.7	H54 Y81 P83 Y86 I124 W128	H54-F56 HydrophobicContact CB-CD1 4.08Å; H54-F56 HydrophobicContact CB-CD2 4.24Å; H54-F56 HydrophobicContact CB-CE1 3.63Å; H54-F56 HydrophobicContact CB-CE2 3.85Å; H54-F56 HydrophobicContact CB-CG 4.39Å; H54-F56 HydrophobicContact CB-CZ 3.54Å; H54-F56 AromaticContact CG-CE1 3.86Å; H54-F56 AromaticContact CG-CZ 3.53Å; H54-F56 AromaticContact ND1-CZ 3.64Å; H54-F56 PolarHBondContact O-N 3.49Å; H54-F56 VanDerWaalsContact O-N 3.09Å; F56-Y81 WeakPolarHBondContact CE1-O 3.03Å; F56-P83 HydrophobicContact CB-CG 4.16Å; F56-P83 HydrophobicContact CD1-CG 3.43Å; F56-P83 VanDerWaalsContact CD1-CG 3.43Å; F56-P83 HydrophobicContact CD2-CG 4.15Å; F56-P83 VanDerWaalsContact CE1-CD 3.43Å; F56-P83 HydrophobicContact CE1-CG 3.72Å; F56-P83 HydrophobicContact CE2-CG 4.37Å; F56-P83 HydrophobicContact CG-CG 3.64Å; F56-P83 HydrophobicContact CZ-CG 4.16Å; F56-Y86 HydrophobicContact CB-CD1 4.05Å; F56-Y86 HydrophobicContact CB-CE1 3.89Å; F56-Y86 HydrophobicContact CB-CG 4.43Å; F56-I124 HydrophobicContact CZ-CD1 4.39Å; F56-W128 HydrophobicContact CB-CH2 4.23Å; F56-W128 HydrophobicContact CD2-CD2 4.04Å; F56-W128 AromaticContact CD2-CE3 3.68Å; F56-W128 HydrophobicContact CD2-CE3 3.68Å; F56-W128 AromaticContact CD2-CH2 3.37Å; F56-W128 HydrophobicContact CD2-CH2 3.37Å; F56-W128 AromaticContact CD2-CZ2 3.78Å; F56-W128 HydrophobicContact CD2-CZ2 3.78Å; F56-W128 AromaticContact CD2-CZ3 3.34Å; F56-W128 HydrophobicContact CD2-CZ3 3.34Å; F56-W128 AromaticContact CE2-CD2 3.78Å; F56-W128 HydrophobicContact CE2-CD2 3.78Å; F56-W128 AromaticContact CE2-CE3 3.5Å; F56-W128 HydrophobicContact CE2-CE3 3.5Å; F56-W128 HydrophobicContact CE2-CG 4.41Å; F56-W128 HydrophobicContact CE2-CH2 4.09Å; F56-W128 HydrophobicContact CE2-CZ2 4.35Å; F56-W128 AromaticContact CE2-CZ3 3.69Å; F56-W128 HydrophobicContact CE2-CZ3 3.69Å; F56-W128 HydrophobicContact CG-CH2 4.2Å; F56-W128 HydrophobicContact CG-CZ2 4.42Å
57	R	98.7	Very high	98.2	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.008	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-101.2	-6.9	171.5	-70.9	-173.1	164.4	132.8	3.2	113.4	H54 Y55 A126 E127 W128 G306 T308 N309 Y329	H54-R57 HydrophobicContact CB-CB 4.19Å; H54-R57 HydrophobicContact CB-CG 4.15Å; H54-R57 PolarHBondContact ND1-NH1 2.88Å; H54-R57 VanDerWaalsContact ND1-NH1 3.18Å; H54-R57 PolarHBondContact O-N 3.25Å; Y55-R57 VanDerWaalsContact C-N 3.3Å; Y55-R57 PolarHBondContact O-N 3.36Å; R57-A126 VanDerWaalsContact CZ-O 3.32Å; R57-A126 PolarHBondContact NH1-O 3.06Å; R57-A126 PolarHBondContact NH2-O 3.43Å; R57-E127 PolarHBondContact NH2-O 3.38Å; R57-W128 HydrophobicContact CG-CZ3 4.1Å; R57-G306 WeakPolarHBondContact CB-O 3.44Å; R57-G306 WeakPolarHBondContact CD-O 3.35Å; R57-T308 WeakPolarHBondContact CA-O 3.41Å; R57-T308 PolarHBondContact O-N 3.42Å; R57-T308 VanDerWaalsContact O-N 3.16Å; R57-N309 VanDerWaalsContact CZ-OD1 3.23Å; R57-N309 PolarHBondContact NE-OD1 3.41Å; R57-N309 PolarHBondContact NH2-OD1 2.92Å; R57-Y329 VanDerWaalsContact CZ-CD1 3.43Å; R57-Y329 PolarHBondContact NH1-OH 2.89Å
58	V	98.3	Very high	98.2	Very high	5 Å²	5	19.9 Å²	19.9	3%	0.03	11%	0.108	C	C	.	.	S	Bend	trans	-121.4	125	-178.2	-175.8	0	0	0	0	108.9	L53 H54 Y55 R60 L62 W63 R66 H305	L53-V58 HydrophobicContact CD2-CG2 4.25Å; L53-V58 HydrophobicContact CG-CG2 4.45Å; H54-V58 PolarHBondContact O-N 2.96Å; Y55-V58 PolarHBondContact O-N 3.34Å; V58-R60 PolarHBondContact O-N 3.45Å; V58-L62 HydrophobicContact CG1-CB 3.87Å; V58-W63 PolarHBondContact O-NE1 2.66Å; V58-R66 HydrophobicContact CG1-CG 3.85Å; V58-H305 WeakPolarHBondContact CG2-NE2 3.22Å
59	P	96	Very high	98.2	Very high	12 Å²	12	19.7 Å²	19.7	8%	0.078	11%	0.108	C	C	.	.			trans	-58.9	139.4	175	-25.7	35.9	0	0	0	112.4	V61 L62 F310 P589 F591	P59-V61 PolarHBondContact O-N 2.87Å; P59-V61 VanDerWaalsContact O-N 3.07Å; P59-L62 HydrophobicContact CB-CD1 4.26Å; P59-L62 HydrophobicContact CG-CD1 4.16Å; P59-L62 WeakPolarHBondContact O-CB 3.48Å; P59-L62 PolarHBondContact O-N 3Å; P59-F310 HydrophobicContact CG-CE2 3.94Å; P59-F310 HydrophobicContact CG-CZ 4.31Å; P59-P589 HydrophobicContact CG-CG 4.21Å; P59-F591 HydrophobicContact CB-CD1 4.46Å; P59-F591 HydrophobicContact CB-CE1 3.29Å; P59-F591 HydrophobicContact CB-CE2 4.02Å; P59-F591 HydrophobicContact CB-CZ 3.07Å; P59-F591 HydrophobicContact CG-CE1 3.49Å; P59-F591 VanDerWaalsContact CG-CE1 3.49Å; P59-F591 HydrophobicContact CG-CE2 4.47Å; P59-F591 HydrophobicContact CG-CZ 3.27Å
60	R	97.1	Very high	98.2	Very high	95 Å²	95	19.7 Å²	19.7	36%	0.358	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-49.8	-41.3	-173.4	171.5	166.9	175.2	168.8	3.6	114.8	V58 L62 W63 G98 D101	V58-R60 PolarHBondContact O-N 3.45Å; R60-L62 PolarHBondContact O-N 2.79Å; R60-W63 HydrophobicContact CB-CD2 4.12Å; R60-W63 HydrophobicContact CB-CE3 4.13Å; R60-W63 HydrophobicContact CB-CH2 3.96Å; R60-W63 HydrophobicContact CB-CZ2 3.93Å; R60-W63 HydrophobicContact CB-CZ3 4.06Å; R60-W63 HydrophobicContact CG-CD2 4.16Å; R60-W63 HydrophobicContact CG-CE3 3.7Å; R60-W63 HydrophobicContact CG-CH2 4.03Å; R60-W63 HydrophobicContact CG-CZ2 4.44Å; R60-W63 HydrophobicContact CG-CZ3 3.64Å; R60-W63 PolarHBondContact O-N 3.24Å; R60-W63 VanDerWaalsContact O-N 3.1Å; R60-G98 VanDerWaalsContact CD-O 3.22Å; R60-G98 WeakPolarHBondContact CD-O 3.3Å; R60-G98 PolarHBondContact NH1-O 2.99Å; R60-D101 IonicContact CZ-OD2 2.6Å; R60-D101 VanDerWaalsContact NH1-CB 3.31Å; R60-D101 IonicContact NH1-OD2 2.7Å; R60-D101 PolarHBondContact NH1-OD2 2.95Å; R60-D101 IonicContact NH2-OD2 2.74Å
61	V	96.6	Very high	98.1	Very high	104 Å²	104	22.4 Å²	22.4	63%	0.63	12%	0.118	S	C	*	.	G	3₁₀ helix	trans	-63.9	-9.6	-179.5	-58.4	0	0	0	0	114	P59 F591	P59-V61 PolarHBondContact O-N 2.87Å; P59-V61 VanDerWaalsContact O-N 3.07Å; V61-F591 HydrophobicContact CG2-CB 4.09Å; V61-F591 HydrophobicContact CG2-CD1 3.35Å; V61-F591 HydrophobicContact CG2-CD2 4.12Å; V61-F591 HydrophobicContact CG2-CE1 3.82Å; V61-F591 HydrophobicContact CG2-CG 3.56Å; V61-F591 HydrophobicContact CG2-CZ 4.46Å
62	L	97.1	Very high	98	Very high	11 Å²	11	25.9 Å²	25.9	6%	0.058	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-108	-8.5	179.4	-61.2	169.4	0	0	0	112.8	V58 P59 R60 A64 D65 R66 P589 F591	V58-L62 HydrophobicContact CG1-CB 3.87Å; P59-L62 HydrophobicContact CB-CD1 4.26Å; P59-L62 HydrophobicContact CG-CD1 4.16Å; P59-L62 WeakPolarHBondContact O-CB 3.48Å; P59-L62 PolarHBondContact O-N 3Å; R60-L62 PolarHBondContact O-N 2.79Å; L62-A64 PolarHBondContact O-N 3.1Å; L62-D65 PolarHBondContact O-N 3.14Å; L62-R66 WeakPolarHBondContact O-CG 3.48Å; L62-R66 PolarHBondContact O-N 3.2Å; L62-R66 VanDerWaalsContact O-N 3.1Å; L62-P589 HydrophobicContact CD1-CB 4.46Å; L62-F591 HydrophobicContact CD1-CD1 4.26Å; L62-F591 HydrophobicContact CD1-CE1 3.79Å; L62-F591 HydrophobicContact CG-CD1 4.48Å; L62-F591 HydrophobicContact CG-CE1 4.34Å
63	W	98.6	Very high	97.9	Very high	1 Å²	1	25.9 Å²	25.9	0%	0.004	13%	0.131	C	C	.	.	H	α-helix	trans	-56.3	-50.6	-176.6	-68.2	-17	0	0	0	112.6	Y55 V58 R60 D65 R66 L67 S99 D101 A104 F105	Y55-W63 HydrophobicContact CD2-CZ2 4.07Å; Y55-W63 HydrophobicContact CG-CZ2 4.4Å; Y55-W63 PolarHBondContact O-NE1 2.96Å; Y55-W63 VanDerWaalsContact O-NE1 3.16Å; V58-W63 PolarHBondContact O-NE1 2.66Å; R60-W63 HydrophobicContact CB-CD2 4.12Å; R60-W63 HydrophobicContact CB-CE3 4.13Å; R60-W63 HydrophobicContact CB-CH2 3.96Å; R60-W63 HydrophobicContact CB-CZ2 3.93Å; R60-W63 HydrophobicContact CB-CZ3 4.06Å; R60-W63 HydrophobicContact CG-CD2 4.16Å; R60-W63 HydrophobicContact CG-CE3 3.7Å; R60-W63 HydrophobicContact CG-CH2 4.03Å; R60-W63 HydrophobicContact CG-CZ2 4.44Å; R60-W63 HydrophobicContact CG-CZ3 3.64Å; R60-W63 PolarHBondContact O-N 3.24Å; R60-W63 VanDerWaalsContact O-N 3.1Å; W63-D65 VanDerWaalsContact C-N 3.29Å; W63-D65 PolarHBondContact O-N 2.98Å; W63-R66 PolarHBondContact O-N 3.26Å; W63-R66 VanDerWaalsContact O-N 3.14Å; W63-L67 WeakPolarHBondContact O-CB 3.15Å; W63-L67 VanDerWaalsContact O-CG 3.32Å; W63-L67 WeakPolarHBondContact O-CG 3.34Å; W63-L67 PolarHBondContact O-N 2.87Å; W63-S99 WeakPolarHBondContact CZ2-O 3.32Å; W63-D101 HydrophobicContact CH2-CB 4.43Å; W63-D101 WeakPolarHBondContact CH2-O 3.42Å; W63-D101 WeakPolarHBondContact CZ3-O 3.26Å; W63-A104 HydrophobicContact CZ3-CB 4.19Å; W63-F105 HydrophobicContact CB-CD2 4.05Å; W63-F105 HydrophobicContact CB-CE2 4.2Å; W63-F105 HydrophobicContact CD2-CB 4.4Å; W63-F105 AromaticContact CD2-CD2 3.56Å; W63-F105 HydrophobicContact CD2-CD2 3.56Å; W63-F105 HydrophobicContact CD2-CE2 4.32Å; W63-F105 HydrophobicContact CD2-CG 4.39Å; W63-F105 HydrophobicContact CE3-CB 3.92Å; W63-F105 AromaticContact CE3-CD2 3.81Å; W63-F105 HydrophobicContact CE3-CD2 3.81Å; W63-F105 HydrophobicContact CE3-CG 4.35Å; W63-F105 AromaticContact CG-CD2 3.69Å; W63-F105 HydrophobicContact CG-CD2 3.69Å; W63-F105 HydrophobicContact CG-CE2 4.01Å; W63-F105 HydrophobicContact CH2-CB 4.2Å; W63-F105 HydrophobicContact CZ3-CB 3.8Å; W63-F105 HydrophobicContact CZ3-CD2 4.47Å
64	A	97.8	Very high	97.8	Very high	47 Å²	47	25.8 Å²	25.8	39%	0.388	13%	0.131	S	C	.	.	H	α-helix	trans	-56.2	-42.5	179.1	0	0	0	0	0	112.3	L62 L68	L62-A64 PolarHBondContact O-N 3.1Å; A64-L68 WeakPolarHBondContact O-CB 3.47Å; A64-L68 PolarHBondContact O-N 2.97Å
65	D	97.6	Very high	97.8	Very high	52 Å²	52	25.8 Å²	25.8	28%	0.278	13%	0.131	S	C	.	.	H	α-helix	trans	-63	-45.6	177.3	173.8	94.9	0	0	0	111.8	L62 W63 L68 K69	L62-D65 PolarHBondContact O-N 3.14Å; W63-D65 VanDerWaalsContact C-N 3.29Å; W63-D65 PolarHBondContact O-N 2.98Å; D65-L68 PolarHBondContact O-N 3Å; D65-K69 WeakPolarHBondContact O-CG 3.3Å; D65-K69 PolarHBondContact O-N 3.28Å; D65-K69 IonicContact OD1-NZ 3.39Å; D65-K69 PolarHBondContact OD1-NZ 2.91Å; D65-K69 VanDerWaalsContact OD2-CE 3.3Å; D65-K69 WeakPolarHBondContact OD2-CE 3.47Å; D65-K69 IonicContact OD2-NZ 2.68Å; D65-K69 PolarHBondContact OD2-NZ 2.92Å
66	R	98.5	Very high	97.8	Very high	3 Å²	3	27.3 Å²	27.3	1%	0.011	14%	0.139	C	C	.	.	H	α-helix	trans	-68.1	-44.1	-177.8	-51.6	-38.2	-177.7	-138.4	8.2	111.5	L53 V58 L62 W63 L68 K69 M70 A338	L53-R66 HydrophobicContact CD1-CB 3.33Å; L53-R66 HydrophobicContact CD1-CG 4.14Å; V58-R66 HydrophobicContact CG1-CG 3.85Å; L62-R66 WeakPolarHBondContact O-CG 3.48Å; L62-R66 PolarHBondContact O-N 3.2Å; L62-R66 VanDerWaalsContact O-N 3.1Å; W63-R66 PolarHBondContact O-N 3.26Å; W63-R66 VanDerWaalsContact O-N 3.14Å; R66-L68 VanDerWaalsContact C-N 3.33Å; R66-L68 PolarHBondContact O-N 3.29Å; R66-K69 PolarHBondContact O-N 3.26Å; R66-M70 WeakPolarHBondContact O-CG 3.33Å; R66-M70 PolarHBondContact O-N 3.29Å; R66-A338 PolarHBondContact NH2-O 3.4Å
67	L	98.8	Very high	97.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-64	-38.8	177.4	-69.1	170.4	0	0	0	111.7	W63 M70 R71 I78 F105 E108 A109 A112 L114	W63-L67 WeakPolarHBondContact O-CB 3.15Å; W63-L67 VanDerWaalsContact O-CG 3.32Å; W63-L67 WeakPolarHBondContact O-CG 3.34Å; W63-L67 PolarHBondContact O-N 2.87Å; L67-M70 HydrophobicContact CD2-SD 4.43Å; L67-M70 WeakPolarHBondContact O-CB 3.18Å; L67-M70 PolarHBondContact O-N 3.49Å; L67-R71 PolarHBondContact O-N 3Å; L67-I78 HydrophobicContact CD2-CD1 3.64Å; L67-I78 HydrophobicContact CD2-CG2 3.95Å; L67-F105 HydrophobicContact CD1-CD2 4.28Å; L67-F105 HydrophobicContact CD1-CE2 3.81Å; L67-F105 HydrophobicContact CD1-CZ 4.42Å; L67-F105 HydrophobicContact CD2-CE2 4.23Å; L67-F105 HydrophobicContact CD2-CZ 4.12Å; L67-F105 HydrophobicContact CG-CE2 4.2Å; L67-E108 HydrophobicContact CD1-CB 3.6Å; L67-A109 HydrophobicContact CD1-CB 4.35Å; L67-A112 HydrophobicContact CB-CB 4.01Å; L67-L114 HydrophobicContact CB-CD1 4.29Å; L67-L114 HydrophobicContact CD2-CD1 4.21Å; L67-L114 WeakPolarHBondContact O-CD1 3.49Å
68	L	97.7	Very high	97.8	Very high	70 Å²	70	26.8 Å²	26.8	37%	0.366	14%	0.137	S	C	.	.	H	α-helix	trans	-62.8	-46.1	174.2	-169.9	67.1	0	0	0	111.1	A64 D65 R66 M70 R71 W72 P364	A64-L68 WeakPolarHBondContact O-CB 3.47Å; A64-L68 PolarHBondContact O-N 2.97Å; D65-L68 PolarHBondContact O-N 3Å; R66-L68 VanDerWaalsContact C-N 3.33Å; R66-L68 PolarHBondContact O-N 3.29Å; L68-M70 VanDerWaalsContact C-N 3.29Å; L68-M70 PolarHBondContact O-N 2.83Å; L68-R71 PolarHBondContact O-N 3.3Å; L68-W72 WeakPolarHBondContact O-CB 3.5Å; L68-W72 PolarHBondContact O-N 3.41Å; L68-P364 HydrophobicContact CD2-CG 3.9Å; L68-P364 HydrophobicContact CG-CG 4.05Å
69	K	98.4	Very high	97.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-57.9	-41.7	175.2	-74.2	167.3	177.9	163.9	0	112.2	D65 R66 W72 S73 I335 G339 P364 P365	D65-K69 WeakPolarHBondContact O-CG 3.3Å; D65-K69 PolarHBondContact O-N 3.28Å; D65-K69 IonicContact OD1-NZ 3.39Å; D65-K69 PolarHBondContact OD1-NZ 2.91Å; D65-K69 VanDerWaalsContact OD2-CE 3.3Å; D65-K69 WeakPolarHBondContact OD2-CE 3.47Å; D65-K69 IonicContact OD2-NZ 2.68Å; D65-K69 PolarHBondContact OD2-NZ 2.92Å; R66-K69 PolarHBondContact O-N 3.26Å; K69-W72 PolarHBondContact O-N 2.89Å; K69-S73 PolarHBondContact O-N 3.2Å; K69-S73 PolarHBondContact O-OG 2.04Å; K69-I335 HydrophobicContact CB-CD1 3.75Å; K69-G339 PolarHBondContact NZ-O 2.9Å; K69-P364 VanDerWaalsContact CE-O 3.28Å; K69-P364 WeakPolarHBondContact CE-O 3.39Å; K69-P364 HydrophobicContact CG-CB 3.85Å; K69-P364 HydrophobicContact CG-CG 3.93Å; K69-P365 WeakPolarHBondContact CE-O 3.34Å; K69-P365 PolarHBondContact NZ-O 2.91Å
70	M	98.6	Very high	98	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.5	-44.8	174.7	-74.2	176.8	81.1	0	0	112.8	G51 L53 R66 L67 L68 W72 S73 L75 I78 F304 I335	G51-M70 WeakPolarHBondContact O-CE 3.37Å; L53-M70 HydrophobicContact CB-CE 4.02Å; L53-M70 HydrophobicContact CB-SD 3.68Å; L53-M70 HydrophobicContact CD1-SD 3.53Å; L53-M70 VanDerWaalsContact CD1-SD 3.53Å; L53-M70 HydrophobicContact CG-SD 4.25Å; R66-M70 WeakPolarHBondContact O-CG 3.33Å; R66-M70 PolarHBondContact O-N 3.29Å; L67-M70 HydrophobicContact CD2-SD 4.43Å; L67-M70 WeakPolarHBondContact O-CB 3.18Å; L67-M70 PolarHBondContact O-N 3.49Å; L68-M70 VanDerWaalsContact C-N 3.29Å; L68-M70 PolarHBondContact O-N 2.83Å; M70-W72 VanDerWaalsContact C-N 3.34Å; M70-W72 PolarHBondContact O-N 2.59Å; M70-S73 PolarHBondContact O-N 2.86Å; M70-S73 PolarHBondContact O-OG 3.13Å; M70-L75 HydrophobicContact CB-CD1 3.98Å; M70-L75 HydrophobicContact CE-CD1 3.88Å; M70-L75 HydrophobicContact CG-CD1 4.26Å; M70-L75 VanDerWaalsContact O-CB 3.29Å; M70-L75 WeakPolarHBondContact O-CB 3.47Å; M70-L75 VanDerWaalsContact O-CG 3.27Å; M70-L75 WeakPolarHBondContact O-CG 3.29Å; M70-L75 PolarHBondContact O-N 3.16Å; M70-I78 HydrophobicContact CE-CB 4.25Å; M70-I78 HydrophobicContact CE-CG2 3.64Å; M70-I78 HydrophobicContact SD-CG2 4.26Å; M70-F304 HydrophobicContact CE-CB 4.08Å; M70-F304 HydrophobicContact CE-CD1 4.28Å; M70-F304 HydrophobicContact CE-CG 4.35Å; M70-F304 HydrophobicContact CG-CD1 3.56Å; M70-F304 HydrophobicContact CG-CE1 3.9Å; M70-F304 HydrophobicContact CG-CG 4.48Å; M70-F304 HydrophobicContact SD-CD1 4.45Å; M70-I335 HydrophobicContact CG-CD1 4.07Å
71	R	97.7	Very high	98.1	Very high	58 Å²	58	21.8 Å²	21.8	22%	0.219	12%	0.116	C	C	.	.	H	α-helix	trans	-61.8	-44.5	175.1	178.2	64.6	-172	117.5	3.2	111.3	L67 L68 S73 G74 L75 A112 L114	L67-R71 PolarHBondContact O-N 3Å; L68-R71 PolarHBondContact O-N 3.3Å; R71-S73 VanDerWaalsContact C-N 3.3Å; R71-S73 PolarHBondContact O-N 3.36Å; R71-G74 PolarHBondContact O-N 3.47Å; R71-L75 WeakPolarHBondContact CD-O 3.49Å; R71-L75 PolarHBondContact NH1-O 2.83Å; R71-A112 WeakPolarHBondContact CD-O 3.44Å; R71-A112 VanDerWaalsContact CG-O 3.26Å; R71-A112 WeakPolarHBondContact CG-O 3.42Å; R71-L114 HydrophobicContact CB-CD1 4.16Å; R71-L114 HydrophobicContact CB-CD2 4.26Å; R71-L114 HydrophobicContact CB-CG 4.26Å
72	W	96.6	Very high	98.2	Very high	72 Å²	72	16.8 Å²	16.8	27%	0.273	9%	0.086	S	C	.	.	H	α-helix	trans	-72.9	-19.4	-177	-78.1	62.2	0	0	0	113.9	L68 K69 M70 G74 R349 P359 L360 P362 L363	L68-W72 WeakPolarHBondContact O-CB 3.5Å; L68-W72 PolarHBondContact O-N 3.41Å; K69-W72 PolarHBondContact O-N 2.89Å; M70-W72 VanDerWaalsContact C-N 3.34Å; M70-W72 PolarHBondContact O-N 2.59Å; W72-G74 PolarHBondContact O-N 3.35Å; W72-R349 PolarHBondContact O-NE 3.49Å; W72-P359 HydrophobicContact CD2-CB 4.22Å; W72-P359 HydrophobicContact CE3-CB 4.39Å; W72-P359 HydrophobicContact CG-CB 4.4Å; W72-L360 VanDerWaalsContact CZ3-O 3.27Å; W72-L360 WeakPolarHBondContact CZ3-O 3.21Å; W72-P362 VanDerWaalsContact CE3-O 3.31Å; W72-P362 VanDerWaalsContact CZ3-O 3.24Å; W72-P362 WeakPolarHBondContact CZ3-O 3.46Å; W72-L363 HydrophobicContact CB-CD2 3.62Å
73	S	96.8	Very high	98.3	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.007	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-2.1	167.9	59.1	0	0	0	0	113.4	K69 M70 R71 F304	K69-S73 PolarHBondContact O-N 3.2Å; K69-S73 PolarHBondContact O-OG 2.04Å; M70-S73 PolarHBondContact O-N 2.86Å; M70-S73 PolarHBondContact O-OG 3.13Å; R71-S73 VanDerWaalsContact C-N 3.3Å; R71-S73 PolarHBondContact O-N 3.36Å; S73-F304 WeakPolarHBondContact OG-CZ 3.42Å
74	G	97.1	Very high	98.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.2	5.4	176.3	0	0	0	0	0	114.6	R71 W72 Q356	R71-G74 PolarHBondContact O-N 3.47Å; W72-G74 PolarHBondContact O-N 3.35Å; G74-Q356 PolarHBondContact O-NE2 3.1Å
75	L	98.6	Very high	98.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.065	C	C	.	.			trans	-69.6	146.2	177	-52.1	-175.3	0	0	0	110.6	V49 M70 R71 L114 M301 F304 I352	V49-L75 HydrophobicContact CG1-CD2 3.85Å; V49-L75 WeakPolarHBondContact O-CA 3.37Å; V49-L75 WeakPolarHBondContact O-CB 3.26Å; M70-L75 HydrophobicContact CB-CD1 3.98Å; M70-L75 HydrophobicContact CE-CD1 3.88Å; M70-L75 HydrophobicContact CG-CD1 4.26Å; M70-L75 VanDerWaalsContact O-CB 3.29Å; M70-L75 WeakPolarHBondContact O-CB 3.47Å; M70-L75 VanDerWaalsContact O-CG 3.27Å; M70-L75 WeakPolarHBondContact O-CG 3.29Å; M70-L75 PolarHBondContact O-N 3.16Å; R71-L75 WeakPolarHBondContact CD-O 3.49Å; R71-L75 PolarHBondContact NH1-O 2.83Å; L75-L114 HydrophobicContact CB-CD2 4.27Å; L75-L114 WeakPolarHBondContact O-CD2 3.28Å; L75-M301 HydrophobicContact CD2-CE 3.36Å; L75-F304 HydrophobicContact CD1-CD1 4.17Å; L75-F304 HydrophobicContact CD1-CD2 3.89Å; L75-F304 HydrophobicContact CD1-CE1 4.23Å; L75-F304 HydrophobicContact CD1-CE2 3.98Å; L75-F304 HydrophobicContact CD1-CG 3.99Å; L75-F304 HydrophobicContact CD1-CZ 4.15Å; L75-F304 HydrophobicContact CD2-CE2 4.28Å; L75-F304 HydrophobicContact CG-CE2 4.44Å; L75-I352 HydrophobicContact CD2-CD1 3.98Å
76	N	98.6	Very high	98.4	Very high	32 Å²	32	12.6 Å²	12.6	17%	0.171	6%	0.055	C	C	.	.	S	Bend	trans	-114.1	-7.3	173.6	63.7	5.3	0	0	0	112.5	R47 Y48 V49 L115	R47-N76 PolarHBondContact O-ND2 2.95Å; Y48-N76 VanDerWaalsContact CA-OD1 3.3Å; Y48-N76 WeakPolarHBondContact CA-OD1 3.37Å; V49-N76 PolarHBondContact N-OD1 3.04Å; V49-N76 PolarHBondContact O-N 3.1Å; V49-N76 VanDerWaalsContact O-N 3.15Å; V49-N76 PolarHBondContact O-OD1 3.3Å; N76-L115 PolarHBondContact O-N 2.69Å
77	A	98.9	Very high	98.4	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	162.7	173.8	0	0	0	0	0	111.3	S50 L115 I117	S50-A77 WeakPolarHBondContact CA-O 3.22Å; S50-A77 PolarHBondContact OG-O 2.8Å; A77-L115 CarbonylContact C-O 3.51Å; A77-L115 WeakPolarHBondContact CA-O 3.45Å; A77-L115 HydrophobicContact CB-CB 4.06Å; A77-I117 HydrophobicContact CB-CD1 4.47Å
78	I	98.9	Very high	98.4	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	154.9	166.1	63.6	170.8	0	0	0	109.7	S50 G51 L67 M70 F80 F105 A109 L114 L115 V116 I117	S50-I78 WeakPolarHBondContact OG-CA 3.24Å; G51-I78 WeakPolarHBondContact O-CA 3.5Å; L67-I78 HydrophobicContact CD2-CD1 3.64Å; L67-I78 HydrophobicContact CD2-CG2 3.95Å; M70-I78 HydrophobicContact CE-CB 4.25Å; M70-I78 HydrophobicContact CE-CG2 3.64Å; M70-I78 HydrophobicContact SD-CG2 4.26Å; I78-F80 HydrophobicContact CD1-CD1 3.99Å; I78-F80 HydrophobicContact CD1-CE1 4.14Å; I78-F80 HydrophobicContact CG1-CD1 4.32Å; I78-F105 HydrophobicContact CD1-CE1 4.03Å; I78-F105 HydrophobicContact CD1-CZ 4.08Å; I78-A109 HydrophobicContact CD1-CB 3.55Å; I78-A109 HydrophobicContact CG1-CB 4.38Å; I78-L114 HydrophobicContact CG2-CB 4.15Å; I78-L114 HydrophobicContact CG2-CD1 3.68Å; I78-L114 HydrophobicContact CG2-CD2 4.28Å; I78-L114 HydrophobicContact CG2-CG 4.24Å; I78-L115 PolarHBondContact N-O 2.85Å; I78-V116 HydrophobicContact CD1-CG2 4.2Å; I78-V116 HydrophobicContact CG1-CG2 3.94Å; I78-I117 PolarHBondContact O-N 2.73Å
79	Q	98.9	Very high	98.3	Very high	1 Å²	1	11 Å²	11	1%	0.005	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	142.6	168.9	-174.9	172.3	-102.6	0	0	110.3	S50 G51 S52 L53 I117 R119 S263 N300	S50-Q79 PolarHBondContact OG-N 2.87Å; G51-Q79 PolarHBondContact O-N 3.23Å; S52-Q79 VanDerWaalsContact CA-O 3.25Å; S52-Q79 WeakPolarHBondContact CA-O 3.22Å; S52-Q79 PolarHBondContact OG-NE2 2.75Å; L53-Q79 PolarHBondContact N-O 2.91Å; L53-Q79 VanDerWaalsContact N-O 3.07Å; Q79-I117 WeakPolarHBondContact CA-O 3.3Å; Q79-I117 HydrophobicContact CB-CB 4.17Å; Q79-I117 HydrophobicContact CG-CB 4.18Å; Q79-I117 HydrophobicContact CG-CG2 4.04Å; Q79-I117 VanDerWaalsContact OE1-CG2 3.31Å; Q79-R119 HydrophobicContact CG-CG 4.06Å; Q79-S263 PolarHBondContact NE2-O 2.94Å; Q79-N300 WeakPolarHBondContact CB-OD1 3.47Å; Q79-N300 PolarHBondContact NE2-ND2 3.47Å
80	F	98.9	Very high	98.2	Very high	1 Å²	1	14 Å²	14	0%	0.004	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	155.3	173.4	66.3	-92.2	0	0	0	113.1	L53 Y55 I78 V82 L102 F105 L106 V116 I117 L118 R119	L53-F80 WeakPolarHBondContact O-CB 3.44Å; Y55-F80 AromaticContact CD1-CD2 3.73Å; Y55-F80 HydrophobicContact CD1-CD2 3.73Å; Y55-F80 HydrophobicContact CD1-CE2 4.02Å; Y55-F80 AromaticContact CE1-CD2 3.75Å; Y55-F80 HydrophobicContact CE1-CD2 3.75Å; Y55-F80 AromaticContact CE1-CE2 3.89Å; Y55-F80 HydrophobicContact CE1-CE2 3.89Å; I78-F80 HydrophobicContact CD1-CD1 3.99Å; I78-F80 HydrophobicContact CD1-CE1 4.14Å; I78-F80 HydrophobicContact CG1-CD1 4.32Å; F80-V82 HydrophobicContact CE2-CG2 4.36Å; F80-L102 HydrophobicContact CE2-CD1 3.41Å; F80-L102 VanDerWaalsContact CE2-CD1 3.41Å; F80-L102 HydrophobicContact CZ-CD1 3.79Å; F80-F105 HydrophobicContact CB-CE1 4.41Å; F80-F105 HydrophobicContact CD1-CD1 4.19Å; F80-F105 AromaticContact CD1-CE1 3.54Å; F80-F105 HydrophobicContact CD1-CE1 3.54Å; F80-F105 HydrophobicContact CD2-CD1 4.37Å; F80-F105 HydrophobicContact CD2-CE1 4.18Å; F80-F105 AromaticContact CE1-CD1 3.86Å; F80-F105 HydrophobicContact CE1-CD1 3.86Å; F80-F105 AromaticContact CE1-CE1 3.64Å; F80-F105 HydrophobicContact CE1-CE1 3.64Å; F80-F105 HydrophobicContact CE2-CD1 4.1Å; F80-F105 HydrophobicContact CE2-CE1 4.29Å; F80-F105 HydrophobicContact CG-CD1 4.41Å; F80-F105 AromaticContact CG-CE1 3.8Å; F80-F105 HydrophobicContact CG-CE1 3.8Å; F80-F105 AromaticContact CZ-CD1 3.82Å; F80-F105 HydrophobicContact CZ-CD1 3.82Å; F80-F105 HydrophobicContact CZ-CE1 4.03Å; F80-L106 HydrophobicContact CE1-CD2 4.1Å; F80-L106 HydrophobicContact CZ-CD2 3.72Å; F80-L106 HydrophobicContact CZ-CG 4.33Å; F80-V116 HydrophobicContact CD1-CG1 4.2Å; F80-V116 HydrophobicContact CE1-CG1 3.46Å; F80-V116 VanDerWaalsContact CE1-CG1 3.46Å; F80-V116 HydrophobicContact CE1-CG2 4.26Å; F80-V116 HydrophobicContact CZ-CG1 4.09Å; F80-I117 PolarHBondContact N-O 2.96Å; F80-L118 HydrophobicContact CD2-CD1 3.94Å; F80-L118 HydrophobicContact CE1-CD1 4.23Å; F80-L118 HydrophobicContact CE2-CD1 3.26Å; F80-L118 HydrophobicContact CZ-CD1 3.45Å; F80-L118 VanDerWaalsContact CZ-CD1 3.45Å; F80-R119 PolarHBondContact O-N 2.96Å
81	Y	98.9	Very high	98.1	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.016	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	157.8	175.3	-68.7	-66.5	0	0	0	114.1	H54 Y55 F56 R119 I124 A126 N185 E264 Y302	H54-Y81 AromaticContact CE1-CD2 3.53Å; H54-Y81 AromaticContact CE1-CE2 3.94Å; H54-Y81 AromaticContact NE2-CD2 3.3Å; H54-Y81 VanDerWaalsContact NE2-CD2 3.3Å; H54-Y81 WeakPolarHBondContact NE2-CD2 3.22Å; H54-Y81 AromaticContact NE2-CE2 3.83Å; Y55-Y81 VanDerWaalsContact CE1-O 3.28Å; Y55-Y81 WeakPolarHBondContact CE1-O 3.4Å; F56-Y81 WeakPolarHBondContact CE1-O 3.03Å; Y81-R119 CarbonylContact C-O 3.59Å; Y81-R119 WeakPolarHBondContact CA-O 3.12Å; Y81-R119 HydrophobicContact CD1-CB 3.3Å; Y81-R119 HydrophobicContact CD1-CG 4.38Å; Y81-R119 WeakPolarHBondContact CD1-O 3.04Å; Y81-R119 HydrophobicContact CE1-CB 3.59Å; Y81-R119 HydrophobicContact CE1-CG 4.29Å; Y81-R119 VanDerWaalsContact CE1-CZ 3.48Å; Y81-R119 HydrophobicContact CG-CB 4.25Å; Y81-R119 VanDerWaalsContact CZ-CZ 3.47Å; Y81-R119 PolarHBondContact OH-NE 3.33Å; Y81-R119 PolarHBondContact OH-NH1 2.98Å; Y81-R119 PolarHBondContact OH-NH2 2.93Å; Y81-I124 HydrophobicContact CD1-CB 3.5Å; Y81-I124 HydrophobicContact CD1-CG2 3.59Å; Y81-I124 HydrophobicContact CD2-CB 4.47Å; Y81-I124 HydrophobicContact CE1-CB 3.94Å; Y81-I124 HydrophobicContact CE1-CG2 4.31Å; Y81-I124 HydrophobicContact CG-CB 3.82Å; Y81-I124 HydrophobicContact CG-CD1 4.11Å; Y81-I124 HydrophobicContact CG-CG2 4.09Å; Y81-A126 HydrophobicContact CD2-CB 3.57Å; Y81-A126 HydrophobicContact CE2-CB 3.59Å; Y81-A126 HydrophobicContact CG-CB 4.43Å; Y81-N185 WeakPolarHBondContact CE1-OD1 3.06Å; Y81-N185 PolarHBondContact OH-OD1 3.28Å; Y81-E264 PolarHBondContact OH-OE1 3.39Å; Y81-E264 VanDerWaalsContact OH-OE1 3.1Å; Y81-Y302 AromaticContact CE2-CE2 3.8Å; Y81-Y302 HydrophobicContact CE2-CE2 3.8Å
82	V	98.9	Very high	98	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.097	C	C	.	.			trans	-114.5	99.9	166.5	-172.7	0	0	0	0	110	F80 W84 L102 L118 R119 P120 W159 L163	F80-V82 HydrophobicContact CE2-CG2 4.36Å; V82-W84 PolarHBondContact O-N 2.87Å; V82-L102 HydrophobicContact CG1-CD2 4.35Å; V82-L102 HydrophobicContact CG2-CD1 4.32Å; V82-L102 HydrophobicContact CG2-CD2 4.14Å; V82-L118 HydrophobicContact CG2-CD1 3.74Å; V82-L118 HydrophobicContact CG2-CG 4.41Å; V82-R119 PolarHBondContact N-O 2.97Å; V82-R119 VanDerWaalsContact N-O 3.07Å; V82-P120 HydrophobicContact CB-CB 4.33Å; V82-P120 HydrophobicContact CG2-CB 4.26Å; V82-W159 HydrophobicContact CG1-CZ2 4.02Å; V82-L163 HydrophobicContact CB-CD2 4.33Å; V82-L163 HydrophobicContact CG1-CD1 3.98Å; V82-L163 HydrophobicContact CG1-CD2 4.01Å
83	P	98.8	Very high	98.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.108	C	C	.	.			trans	-73.3	109.9	-179.6	22.6	-27.6	0	0	0	111	F56 N85 Y86 H87 I124	F56-P83 HydrophobicContact CB-CG 4.16Å; F56-P83 HydrophobicContact CD1-CG 3.43Å; F56-P83 VanDerWaalsContact CD1-CG 3.43Å; F56-P83 HydrophobicContact CD2-CG 4.15Å; F56-P83 VanDerWaalsContact CE1-CD 3.43Å; F56-P83 HydrophobicContact CE1-CG 3.72Å; F56-P83 HydrophobicContact CE2-CG 4.37Å; F56-P83 HydrophobicContact CG-CG 3.64Å; F56-P83 HydrophobicContact CZ-CG 4.16Å; P83-N85 VanDerWaalsContact C-N 3.3Å; P83-N85 PolarHBondContact O-N 3.26Å; P83-Y86 HydrophobicContact CG-CG 4.24Å; P83-Y86 VanDerWaalsContact O-CB 3.25Å; P83-Y86 WeakPolarHBondContact O-CB 3.45Å; P83-Y86 PolarHBondContact O-N 2.9Å; P83-H87 PolarHBondContact O-CD2 3.4Å; P83-H87 VanDerWaalsContact O-CD2 3.31Å; P83-H87 PolarHBondContact O-N 3.18Å; P83-I124 HydrophobicContact CB-CD1 3.8Å
84	W	98.9	Very high	98.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-52.8	-46.6	-180	176.3	14.2	0	0	0	112.1	V82 Y86 H87 E88 P122 G132 L133 P134 W136 L137 A155 V156 W159	V82-W84 PolarHBondContact O-N 2.87Å; W84-Y86 PolarHBondContact O-N 3.01Å; W84-Y86 VanDerWaalsContact O-N 3.1Å; W84-H87 PolarHBondContact O-N 3Å; W84-E88 PolarHBondContact NE1-OE2 2.95Å; W84-E88 PolarHBondContact O-N 3.26Å; W84-P122 HydrophobicContact CE3-CB 3.95Å; W84-P122 HydrophobicContact CZ3-CB 4.22Å; W84-G132 WeakPolarHBondContact CB-O 3.28Å; W84-G132 PolarHBondContact N-O 2.99Å; W84-L133 HydrophobicContact CE3-CD2 3.89Å; W84-L133 HydrophobicContact CZ3-CD2 4.13Å; W84-P134 HydrophobicContact CB-CG 4.44Å; W84-P134 HydrophobicContact CD2-CG 3.54Å; W84-P134 VanDerWaalsContact CE3-CD 3.49Å; W84-P134 HydrophobicContact CE3-CG 4.19Å; W84-P134 HydrophobicContact CG-CG 3.65Å; W84-P134 HydrophobicContact CZ2-CG 4.19Å; W84-W136 HydrophobicContact CH2-CH2 4.39Å; W84-W136 AromaticContact CZ2-CH2 3.76Å; W84-W136 HydrophobicContact CZ2-CH2 3.76Å; W84-W136 AromaticContact CZ2-CZ2 3.84Å; W84-W136 HydrophobicContact CZ2-CZ2 3.84Å; W84-L137 HydrophobicContact CH2-CD1 4.24Å; W84-L137 HydrophobicContact CH2-CD2 4.14Å; W84-L137 HydrophobicContact CZ3-CD1 4.05Å; W84-A155 HydrophobicContact CH2-CB 3.73Å; W84-A155 HydrophobicContact CZ2-CB 4.15Å; W84-A155 WeakPolarHBondContact CZ2-O 3.21Å; W84-V156 HydrophobicContact CH2-CG2 4.14Å; W84-V156 HydrophobicContact CZ3-CG2 3.86Å; W84-W159 HydrophobicContact CB-CD2 4.41Å; W84-W159 HydrophobicContact CB-CZ2 4.33Å; W84-W159 AromaticContact CD1-CD1 3.94Å; W84-W159 AromaticContact CD1-CD2 3.34Å; W84-W159 AromaticContact CD1-CE2 3.7Å; W84-W159 AromaticContact CD1-CE3 3.69Å; W84-W159 AromaticContact CD1-CG 3.52Å; W84-W159 HydrophobicContact CD2-CB 4.08Å; W84-W159 AromaticContact CD2-CD1 3.74Å; W84-W159 HydrophobicContact CD2-CD2 4.38Å; W84-W159 AromaticContact CD2-CG 3.79Å; W84-W159 HydrophobicContact CD2-CG 3.79Å; W84-W159 AromaticContact CE2-CG 3.67Å; W84-W159 HydrophobicContact CG-CB 4.46Å; W84-W159 AromaticContact CG-CD1 3.71Å; W84-W159 AromaticContact CG-CD2 3.85Å; W84-W159 HydrophobicContact CG-CD2 3.85Å; W84-W159 AromaticContact CG-CE2 3.85Å; W84-W159 AromaticContact CG-CG 3.75Å; W84-W159 HydrophobicContact CG-CG 3.75Å; W84-W159 AromaticContact CG-NE1 3.75Å; W84-W159 HydrophobicContact CH2-CB 4.38Å; W84-W159 HydrophobicContact CZ2-CB 3.68Å; W84-W159 HydrophobicContact CZ2-CG 4.31Å; W84-W159 AromaticContact NE1-CD2 3.69Å; W84-W159 AromaticContact NE1-CE3 3.97Å; W84-W159 AromaticContact NE1-CG 3.5Å
85	N	98.7	Very high	98.2	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.011	14%	0.135	C	C	.	.	H	α-helix	trans	-64.2	-16.3	178.8	66.8	12.2	0	0	0	115.4	P83 W128 E129 G132 L133 P134 W313	P83-N85 VanDerWaalsContact C-N 3.3Å; P83-N85 PolarHBondContact O-N 3.26Å; N85-W128 PolarHBondContact OD1-NE1 3.43Å; N85-E129 PolarHBondContact ND2-O 2.96Å; N85-G132 WeakPolarHBondContact CB-O 3.14Å; N85-G132 VanDerWaalsContact CG-O 3.25Å; N85-G132 PolarHBondContact N-O 3.09Å; N85-L133 WeakPolarHBondContact CB-O 3.36Å; N85-L133 PolarHBondContact ND2-O 2.95Å; N85-L133 VanDerWaalsContact ND2-O 3.15Å; N85-P134 HydrophobicContact CB-CB 4.23Å; N85-P134 HydrophobicContact CB-CG 4.22Å; N85-W313 WeakPolarHBondContact O-CH2 3.33Å; N85-W313 WeakPolarHBondContact OD1-CZ3 3.25Å
86	Y	98.4	Very high	98.2	Very high	21 Å²	21	24.2 Å²	24.2	8%	0.082	14%	0.14	C	C	.	.	H	α-helix	trans	-81.8	-31.9	172.2	-164	-113.5	0	0	0	110.8	Y55 F56 P83 W84 R100 W128 W313	Y55-Y86 HydrophobicContact CE2-CE1 4.47Å; F56-Y86 HydrophobicContact CB-CD1 4.05Å; F56-Y86 HydrophobicContact CB-CE1 3.89Å; F56-Y86 HydrophobicContact CB-CG 4.43Å; P83-Y86 HydrophobicContact CG-CG 4.24Å; P83-Y86 VanDerWaalsContact O-CB 3.25Å; P83-Y86 WeakPolarHBondContact O-CB 3.45Å; P83-Y86 PolarHBondContact O-N 2.9Å; W84-Y86 PolarHBondContact O-N 3.01Å; W84-Y86 VanDerWaalsContact O-N 3.1Å; Y86-R100 HydrophobicContact CD1-CB 4.11Å; Y86-R100 HydrophobicContact CD1-CG 3.87Å; Y86-R100 HydrophobicContact CE1-CB 3.72Å; Y86-R100 HydrophobicContact CE1-CG 3.28Å; Y86-R100 WeakPolarHBondContact O-CD 3.26Å; Y86-R100 PolarHBondContact O-NE 3.38Å; Y86-R100 PolarHBondContact O-NH1 3.21Å; Y86-W128 HydrophobicContact CD2-CH2 4.46Å; Y86-W128 AromaticContact CD2-CZ2 3.9Å; Y86-W128 HydrophobicContact CD2-CZ2 3.9Å; Y86-W128 HydrophobicContact CE2-CZ2 4.49Å; Y86-W128 HydrophobicContact CG-CZ2 4.47Å; Y86-W313 HydrophobicContact CD2-CD2 4.25Å; Y86-W313 AromaticContact CD2-CE2 3.71Å; Y86-W313 HydrophobicContact CD2-CE3 4.4Å; Y86-W313 AromaticContact CD2-CH2 3.5Å; Y86-W313 HydrophobicContact CD2-CH2 3.5Å; Y86-W313 VanDerWaalsContact CD2-CH2 3.5Å; Y86-W313 AromaticContact CD2-CZ2 3.38Å; Y86-W313 HydrophobicContact CD2-CZ2 3.38Å; Y86-W313 AromaticContact CD2-CZ3 4Å; Y86-W313 HydrophobicContact CD2-CZ3 4Å; Y86-W313 AromaticContact CE2-CE2 3.87Å; Y86-W313 HydrophobicContact CE2-CH2 4.36Å; Y86-W313 AromaticContact CE2-CZ2 3.79Å; Y86-W313 HydrophobicContact CE2-CZ2 3.79Å; Y86-W313 AromaticContact CE2-NE1 3.95Å; Y86-W313 HydrophobicContact CG-CH2 4.31Å
87	H	98.8	Very high	98.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-94.6	-29.9	-178.7	-68.3	-68.5	0	0	0	113.7	Y55 P83 W84 P89 Y94 N95 F96 R100 W159	Y55-H87 AromaticContact CE2-NE2 3.85Å; Y55-H87 AromaticContact CZ-NE2 3.62Å; Y55-H87 PolarHBondContact OH-NE2 3.19Å; P83-H87 PolarHBondContact O-CD2 3.4Å; P83-H87 VanDerWaalsContact O-CD2 3.31Å; P83-H87 PolarHBondContact O-N 3.18Å; W84-H87 PolarHBondContact O-N 3Å; H87-P89 VanDerWaalsContact C-CD 3.43Å; H87-P89 WeakPolarHBondContact O-CD 3.43Å; H87-Y94 CarbonylContact O-C 3.54Å; H87-Y94 VanDerWaalsContact O-CA 3.24Å; H87-Y94 WeakPolarHBondContact O-CA 3.28Å; H87-N95 PolarHBondContact ND1-O 2.78Å; H87-N95 PolarHBondContact O-N 2.99Å; H87-F96 HydrophobicContact CB-CE1 4.24Å; H87-F96 HydrophobicContact CB-CE2 4.42Å; H87-F96 HydrophobicContact CB-CZ 4.01Å; H87-F96 AromaticContact CE1-CD1 3.76Å; H87-F96 AromaticContact CE1-CE1 3.88Å; H87-F96 AromaticContact CG-CE1 3.72Å; H87-F96 AromaticContact ND1-CD1 3.38Å; H87-F96 WeakPolarHBondContact ND1-CD1 3.48Å; H87-F96 AromaticContact ND1-CE1 3.4Å; H87-F96 WeakPolarHBondContact ND1-CE1 3.2Å; H87-F96 AromaticContact ND1-CG 3.97Å; H87-R100 PolarHBondContact CE1-O 2.93Å; H87-W159 HydrophobicContact CB-CH2 3.34Å; H87-W159 HydrophobicContact CB-CZ2 4.3Å; H87-W159 HydrophobicContact CB-CZ3 3.72Å; H87-W159 AromaticContact CG-CH2 3.9Å
88	E	98.6	Very high	97.9	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.019	18%	0.183	C	C	.	.			trans	-121.8	70.4	178.3	-168.6	173	-167.2	0	0	111	W84 Q90 G92 V93 Y94 W136	W84-E88 PolarHBondContact NE1-OE2 2.95Å; W84-E88 PolarHBondContact O-N 3.26Å; E88-Q90 WeakPolarHBondContact CG-O 3.42Å; E88-Q90 PolarHBondContact O-N 3.22Å; E88-G92 PolarHBondContact OE1-N 3.32Å; E88-V93 WeakPolarHBondContact CA-O 3.34Å; E88-Y94 HydrophobicContact CB-CD1 3.99Å; E88-Y94 HydrophobicContact CB-CE1 3.94Å; E88-Y94 HydrophobicContact CG-CD1 4.05Å; E88-Y94 HydrophobicContact CG-CE1 3.69Å; E88-Y94 PolarHBondContact OE1-OH 3.28Å; E88-Y94 VanDerWaalsContact OE2-CE1 3.31Å; E88-Y94 WeakPolarHBondContact OE2-CE1 3.42Å; E88-W136 HydrophobicContact CG-CZ2 4.2Å; E88-W136 PolarHBondContact O-NE1 3Å
89	P	95.6	Very high	97.6	Very high	36 Å²	36	32.7 Å²	32.7	23%	0.234	20%	0.198	C	C	.	.	S	Bend	trans	-62.2	-24.3	-179.6	26.1	-36.9	0	0	0	113.4	H87 V93	H87-P89 VanDerWaalsContact C-CD 3.43Å; H87-P89 WeakPolarHBondContact O-CD 3.43Å; P89-V93 WeakPolarHBondContact CD-O 3.17Å
90	Q	96.1	Very high	97.6	Very high	63 Å²	63	34.8 Å²	34.8	29%	0.294	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-134.6	151.5	171.2	-64.7	-60.6	-40.3	0	0	108.9	E88 G92 V93 D410	E88-Q90 WeakPolarHBondContact CG-O 3.42Å; E88-Q90 PolarHBondContact O-N 3.22Å; Q90-G92 PolarHBondContact O-N 3.38Å; Q90-V93 HydrophobicContact CB-CB 4.1Å; Q90-V93 HydrophobicContact CB-CG2 4.04Å; Q90-V93 PolarHBondContact O-N 3.03Å; Q90-D410 PolarHBondContact NE2-OD2 2.85Å
91	P	96.3	Very high	97.6	Very high	64 Å²	64	36.2 Å²	36.2	42%	0.416	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	125.8	178.9	-19.6	27.9	0	0	0	111.4	V93 W136	P91-V93 PolarHBondContact O-N 3.27Å; P91-W136 HydrophobicContact CB-CD2 4.4Å; P91-W136 HydrophobicContact CB-CE3 4.45Å; P91-W136 HydrophobicContact CG-CB 4.27Å; P91-W136 HydrophobicContact CG-CD2 3.58Å; P91-W136 HydrophobicContact CG-CE3 3.76Å; P91-W136 HydrophobicContact CG-CG 3.82Å; P91-W136 HydrophobicContact CG-CZ3 4.31Å
92	G	97.4	Very high	97.5	Very high	49 Å²	49	36 Å²	36	51%	0.505	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	75	-0.1	-179.7	0	0	0	0	0	115.7	E88 Q90	E88-G92 PolarHBondContact OE1-N 3.32Å; Q90-G92 PolarHBondContact O-N 3.38Å
93	V	97.9	Very high	97.5	Very high	83 Å²	83	38.6 Å²	38.6	50%	0.503	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-106.1	100.4	-179.9	-177.6	0	0	0	0	109.5	E88 P89 Q90 P91	E88-V93 WeakPolarHBondContact CA-O 3.34Å; P89-V93 WeakPolarHBondContact CD-O 3.17Å; Q90-V93 HydrophobicContact CB-CB 4.1Å; Q90-V93 HydrophobicContact CB-CG2 4.04Å; Q90-V93 PolarHBondContact O-N 3.03Å; P91-V93 PolarHBondContact O-N 3.27Å
94	Y	98.1	Very high	97.5	Very high	71 Å²	71	39.2 Å²	39.2	28%	0.278	23%	0.231	S	C	.	.			trans	-97.3	139.8	-176.7	-54.7	-75	0	0	0	112.7	H87 E88 S158 W159 V162	H87-Y94 CarbonylContact O-C 3.54Å; H87-Y94 VanDerWaalsContact O-CA 3.24Å; H87-Y94 WeakPolarHBondContact O-CA 3.28Å; E88-Y94 HydrophobicContact CB-CD1 3.99Å; E88-Y94 HydrophobicContact CB-CE1 3.94Å; E88-Y94 HydrophobicContact CG-CD1 4.05Å; E88-Y94 HydrophobicContact CG-CE1 3.69Å; E88-Y94 PolarHBondContact OE1-OH 3.28Å; E88-Y94 VanDerWaalsContact OE2-CE1 3.31Å; E88-Y94 WeakPolarHBondContact OE2-CE1 3.42Å; Y94-S158 PolarHBondContact OH-OG 3.08Å; Y94-W159 HydrophobicContact CD1-CE3 4.19Å; Y94-W159 HydrophobicContact CD1-CZ3 4.04Å; Y94-W159 AromaticContact CE1-CE3 3.92Å; Y94-W159 HydrophobicContact CE1-CE3 3.92Å; Y94-W159 HydrophobicContact CE1-CZ3 4.25Å; Y94-V162 HydrophobicContact CD1-CB 4.44Å; Y94-V162 HydrophobicContact CD1-CG1 3.99Å; Y94-V162 HydrophobicContact CD2-CG1 4.22Å; Y94-V162 HydrophobicContact CD2-CG2 4.21Å; Y94-V162 HydrophobicContact CE1-CB 4.2Å; Y94-V162 HydrophobicContact CE1-CG1 4.25Å; Y94-V162 HydrophobicContact CE1-CG2 4.04Å; Y94-V162 HydrophobicContact CE2-CG1 4.48Å; Y94-V162 HydrophobicContact CE2-CG2 3.69Å; Y94-V162 HydrophobicContact CG-CG1 3.98Å
95	N	97.7	Very high	97.5	Very high	54 Å²	54	39.2 Å²	39.2	29%	0.289	23%	0.231	S	C	.	.			trans	-132.7	114	175.3	-174.5	-2.2	0	0	0	111.5	H87 N97 R100	H87-N95 PolarHBondContact ND1-O 2.78Å; H87-N95 PolarHBondContact O-N 2.99Å; N95-N97 PolarHBondContact OD1-N 3.14Å; N95-R100 WeakPolarHBondContact O-CB 3.35Å
96	F	97.9	Very high	97.5	Very high	24 Å²	24	39.1 Å²	39.1	11%	0.105	23%	0.231	C	C	.	.			trans	-121.7	28.5	174.6	-67.9	-89	0	0	0	111.8	H87 R100 D101 L102 W159 V162 L163 K166	H87-F96 HydrophobicContact CB-CE1 4.24Å; H87-F96 HydrophobicContact CB-CE2 4.42Å; H87-F96 HydrophobicContact CB-CZ 4.01Å; H87-F96 AromaticContact CE1-CD1 3.76Å; H87-F96 AromaticContact CE1-CE1 3.88Å; H87-F96 AromaticContact CG-CE1 3.72Å; H87-F96 AromaticContact ND1-CD1 3.38Å; H87-F96 WeakPolarHBondContact ND1-CD1 3.48Å; H87-F96 AromaticContact ND1-CE1 3.4Å; H87-F96 WeakPolarHBondContact ND1-CE1 3.2Å; H87-F96 AromaticContact ND1-CG 3.97Å; F96-R100 CarbonylContact C-O 3.47Å; F96-R100 VanDerWaalsContact CA-O 3.28Å; F96-R100 WeakPolarHBondContact CA-O 3.38Å; F96-D101 WeakPolarHBondContact O-CA 3.44Å; F96-D101 WeakPolarHBondContact O-CB 3.32Å; F96-L102 HydrophobicContact CD1-CB 4.18Å; F96-L102 HydrophobicContact CE1-CB 4.48Å; F96-L102 HydrophobicContact CE1-CD2 4.45Å; F96-W159 HydrophobicContact CE1-CH2 4.35Å; F96-W159 HydrophobicContact CE2-CZ3 4.39Å; F96-W159 AromaticContact CZ-CH2 3.71Å; F96-W159 HydrophobicContact CZ-CH2 3.71Å; F96-W159 AromaticContact CZ-CZ3 3.86Å; F96-W159 HydrophobicContact CZ-CZ3 3.86Å; F96-V162 HydrophobicContact CE2-CG1 4.19Å; F96-L163 HydrophobicContact CE1-CD1 4.12Å; F96-L163 HydrophobicContact CZ-CD1 4.25Å; F96-K166 HydrophobicContact CD2-CD 4.18Å; F96-K166 HydrophobicContact CE1-CD 4.36Å; F96-K166 HydrophobicContact CE2-CD 3.92Å; F96-K166 HydrophobicContact CZ-CD 4.01Å
97	N	96.4	Very high	97.5	Very high	124 Å²	124	41.5 Å²	41.5	66%	0.663	25%	0.245	S	C	*	.	S	Bend	trans	-103.6	158.6	-178.3	-66.8	-17.6	0	0	0	111.9	N95 S99 R100	N95-N97 PolarHBondContact OD1-N 3.14Å; N97-S99 PolarHBondContact O-N 3.41Å; N97-R100 WeakPolarHBondContact O-CB 3.47Å; N97-R100 PolarHBondContact O-N 2.62Å
98	G	94.8	Very high	97.5	Very high	40 Å²	40	44.1 Å²	44.1	41%	0.412	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	60.6	-127.9	174.8	0	0	0	0	0	111.9	R60 R100 D101	R60-G98 VanDerWaalsContact CD-O 3.22Å; R60-G98 WeakPolarHBondContact CD-O 3.3Å; R60-G98 PolarHBondContact NH1-O 2.99Å; G98-R100 PolarHBondContact O-N 3.25Å; G98-D101 WeakPolarHBondContact O-CB 3.39Å; G98-D101 PolarHBondContact O-N 3.24Å; G98-D101 VanDerWaalsContact O-N 3.16Å
99	S	94.4	Very high	97.5	Very high	45 Å²	45	44 Å²	44	32%	0.315	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-69.5	-2.1	175.1	-53	0	0	0	0	114.3	W63 N97	W63-S99 WeakPolarHBondContact CZ2-O 3.32Å; N97-S99 PolarHBondContact O-N 3.41Å
100	R	98	Very high	97.6	Very high	45 Å²	45	44.4 Å²	44.4	17%	0.17	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-99.5	6.9	172.5	-38.9	-148.2	167	160	-1.2	112.7	Y86 H87 N95 F96 N97 G98 L102	Y86-R100 HydrophobicContact CD1-CB 4.11Å; Y86-R100 HydrophobicContact CD1-CG 3.87Å; Y86-R100 HydrophobicContact CE1-CB 3.72Å; Y86-R100 HydrophobicContact CE1-CG 3.28Å; Y86-R100 WeakPolarHBondContact O-CD 3.26Å; Y86-R100 PolarHBondContact O-NE 3.38Å; Y86-R100 PolarHBondContact O-NH1 3.21Å; H87-R100 PolarHBondContact CE1-O 2.93Å; N95-R100 WeakPolarHBondContact O-CB 3.35Å; F96-R100 CarbonylContact C-O 3.47Å; F96-R100 VanDerWaalsContact CA-O 3.28Å; F96-R100 WeakPolarHBondContact CA-O 3.38Å; N97-R100 WeakPolarHBondContact O-CB 3.47Å; N97-R100 PolarHBondContact O-N 2.62Å; G98-R100 PolarHBondContact O-N 3.25Å; R100-L102 PolarHBondContact O-N 2.82Å
101	D	98.4	Very high	97.7	Very high	31 Å²	31	47.5 Å²	47.5	17%	0.166	28%	0.281	C	S	.	.			trans	-79.8	86.1	-175.8	-166.7	-17.4	0	0	0	111.4	R60 W63 F96 G98 I103 A104 F105	R60-D101 IonicContact CZ-OD2 2.6Å; R60-D101 VanDerWaalsContact NH1-CB 3.31Å; R60-D101 IonicContact NH1-OD2 2.7Å; R60-D101 PolarHBondContact NH1-OD2 2.95Å; R60-D101 IonicContact NH2-OD2 2.74Å; W63-D101 HydrophobicContact CH2-CB 4.43Å; W63-D101 WeakPolarHBondContact CH2-O 3.42Å; W63-D101 WeakPolarHBondContact CZ3-O 3.26Å; F96-D101 WeakPolarHBondContact O-CA 3.44Å; F96-D101 WeakPolarHBondContact O-CB 3.32Å; G98-D101 WeakPolarHBondContact O-CB 3.39Å; G98-D101 PolarHBondContact O-N 3.24Å; G98-D101 VanDerWaalsContact O-N 3.16Å; D101-I103 VanDerWaalsContact C-N 3.25Å; D101-I103 PolarHBondContact O-N 3.3Å; D101-I103 PolarHBondContact OD1-N 3.09Å; D101-A104 HydrophobicContact CB-CB 3.9Å; D101-A104 PolarHBondContact O-N 2.95Å; D101-A104 WeakPolarHBondContact OD1-CB 3.25Å; D101-A104 PolarHBondContact OD1-N 3.43Å; D101-A104 WeakPolarHBondContact OD2-CB 3.38Å; D101-F105 PolarHBondContact O-N 3.25Å
102	L	98.3	Very high	97.8	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-58.7	-37.8	177.7	173.9	59.6	0	0	0	111.9	Y55 F80 V82 F96 R100 F105 L106 L163 I167	Y55-L102 HydrophobicContact CE1-CD1 4.09Å; F80-L102 HydrophobicContact CE2-CD1 3.41Å; F80-L102 VanDerWaalsContact CE2-CD1 3.41Å; F80-L102 HydrophobicContact CZ-CD1 3.79Å; V82-L102 HydrophobicContact CG1-CD2 4.35Å; V82-L102 HydrophobicContact CG2-CD1 4.32Å; V82-L102 HydrophobicContact CG2-CD2 4.14Å; F96-L102 HydrophobicContact CD1-CB 4.18Å; F96-L102 HydrophobicContact CE1-CB 4.48Å; F96-L102 HydrophobicContact CE1-CD2 4.45Å; R100-L102 PolarHBondContact O-N 2.82Å; L102-F105 PolarHBondContact O-N 3.47Å; L102-L106 HydrophobicContact CD1-CD1 4.49Å; L102-L106 HydrophobicContact CD1-CG 4.39Å; L102-L106 HydrophobicContact CG-CD1 4.35Å; L102-L106 WeakPolarHBondContact O-CG 3.32Å; L102-L106 PolarHBondContact O-N 2.82Å; L102-L163 HydrophobicContact CD2-CD1 3.62Å; L102-I167 HydrophobicContact CD2-CG2 3.91Å
103	I	98.4	Very high	97.8	Very high	53 Å²	53	48.4 Å²	48.4	27%	0.272	27%	0.273	S	S	.	.	H	α-helix	trans	-71.2	-43	-177.4	-58	-50.3	0	0	0	110.4	D101 F105 L106 N107 K166 W170	D101-I103 VanDerWaalsContact C-N 3.25Å; D101-I103 PolarHBondContact O-N 3.3Å; D101-I103 PolarHBondContact OD1-N 3.09Å; I103-F105 VanDerWaalsContact C-N 3.28Å; I103-F105 PolarHBondContact O-N 3.5Å; I103-L106 HydrophobicContact CD1-CD1 4.25Å; I103-L106 PolarHBondContact O-N 2.62Å; I103-N107 WeakPolarHBondContact O-CB 3.32Å; I103-N107 PolarHBondContact O-N 3.45Å; I103-K166 HydrophobicContact CD1-CB 4.43Å; I103-W170 HydrophobicContact CG2-CZ2 3.51Å
104	A	98.5	Very high	97.8	Very high	14 Å²	14	44.6 Å²	44.6	12%	0.116	25%	0.25	C	C	.	.	H	α-helix	trans	-60.1	-40.1	171.4	0	0	0	0	0	111.5	W63 D101 N107 E108	W63-A104 HydrophobicContact CZ3-CB 4.19Å; D101-A104 HydrophobicContact CB-CB 3.9Å; D101-A104 PolarHBondContact O-N 2.95Å; D101-A104 WeakPolarHBondContact OD1-CB 3.25Å; D101-A104 PolarHBondContact OD1-N 3.43Å; D101-A104 WeakPolarHBondContact OD2-CB 3.38Å; A104-N107 WeakPolarHBondContact O-CB 3.43Å; A104-N107 PolarHBondContact O-N 2.86Å; A104-E108 WeakPolarHBondContact O-CG 3.17Å; A104-E108 PolarHBondContact O-N 2.92Å
105	F	98.8	Very high	97.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.8	-41.7	177.4	-173.6	-113.4	0	0	0	113.1	L53 Y55 W63 L67 I78 F80 D101 L102 I103 N107 E108 A109	L53-F105 HydrophobicContact CD2-CE2 3.76Å; L53-F105 HydrophobicContact CD2-CZ 3.5Å; L53-F105 VanDerWaalsContact CD2-CZ 3.5Å; Y55-F105 AromaticContact CD1-CD1 3.87Å; Y55-F105 HydrophobicContact CD1-CD1 3.87Å; Y55-F105 HydrophobicContact CD1-CE1 4.19Å; Y55-F105 HydrophobicContact CD1-CG 4.42Å; Y55-F105 HydrophobicContact CG-CD1 4.09Å; Y55-F105 HydrophobicContact CG-CG 4.19Å; W63-F105 HydrophobicContact CB-CD2 4.05Å; W63-F105 HydrophobicContact CB-CE2 4.2Å; W63-F105 HydrophobicContact CD2-CB 4.4Å; W63-F105 AromaticContact CD2-CD2 3.56Å; W63-F105 HydrophobicContact CD2-CD2 3.56Å; W63-F105 HydrophobicContact CD2-CE2 4.32Å; W63-F105 HydrophobicContact CD2-CG 4.39Å; W63-F105 HydrophobicContact CE3-CB 3.92Å; W63-F105 AromaticContact CE3-CD2 3.81Å; W63-F105 HydrophobicContact CE3-CD2 3.81Å; W63-F105 HydrophobicContact CE3-CG 4.35Å; W63-F105 AromaticContact CG-CD2 3.69Å; W63-F105 HydrophobicContact CG-CD2 3.69Å; W63-F105 HydrophobicContact CG-CE2 4.01Å; W63-F105 HydrophobicContact CH2-CB 4.2Å; W63-F105 HydrophobicContact CZ3-CB 3.8Å; W63-F105 HydrophobicContact CZ3-CD2 4.47Å; L67-F105 HydrophobicContact CD1-CD2 4.28Å; L67-F105 HydrophobicContact CD1-CE2 3.81Å; L67-F105 HydrophobicContact CD1-CZ 4.42Å; L67-F105 HydrophobicContact CD2-CE2 4.23Å; L67-F105 HydrophobicContact CD2-CZ 4.12Å; L67-F105 HydrophobicContact CG-CE2 4.2Å; I78-F105 HydrophobicContact CD1-CE1 4.03Å; I78-F105 HydrophobicContact CD1-CZ 4.08Å; F80-F105 HydrophobicContact CB-CE1 4.41Å; F80-F105 HydrophobicContact CD1-CD1 4.19Å; F80-F105 AromaticContact CD1-CE1 3.54Å; F80-F105 HydrophobicContact CD1-CE1 3.54Å; F80-F105 HydrophobicContact CD2-CD1 4.37Å; F80-F105 HydrophobicContact CD2-CE1 4.18Å; F80-F105 AromaticContact CE1-CD1 3.86Å; F80-F105 HydrophobicContact CE1-CD1 3.86Å; F80-F105 AromaticContact CE1-CE1 3.64Å; F80-F105 HydrophobicContact CE1-CE1 3.64Å; F80-F105 HydrophobicContact CE2-CD1 4.1Å; F80-F105 HydrophobicContact CE2-CE1 4.29Å; F80-F105 HydrophobicContact CG-CD1 4.41Å; F80-F105 AromaticContact CG-CE1 3.8Å; F80-F105 HydrophobicContact CG-CE1 3.8Å; F80-F105 AromaticContact CZ-CD1 3.82Å; F80-F105 HydrophobicContact CZ-CD1 3.82Å; F80-F105 HydrophobicContact CZ-CE1 4.03Å; D101-F105 PolarHBondContact O-N 3.25Å; L102-F105 PolarHBondContact O-N 3.47Å; I103-F105 VanDerWaalsContact C-N 3.28Å; I103-F105 PolarHBondContact O-N 3.5Å; F105-N107 VanDerWaalsContact C-N 3.29Å; F105-N107 PolarHBondContact O-N 3.19Å; F105-E108 PolarHBondContact O-N 2.9Å; F105-A109 PolarHBondContact O-N 3.25Å
106	L	98.8	Very high	97.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60	-40.1	172.5	-71.9	169.4	0	0	0	111.7	F80 L102 I103 A109 A110 V116 I167 W170 N177 I178	F80-L106 HydrophobicContact CE1-CD2 4.1Å; F80-L106 HydrophobicContact CZ-CD2 3.72Å; F80-L106 HydrophobicContact CZ-CG 4.33Å; L102-L106 HydrophobicContact CD1-CD1 4.49Å; L102-L106 HydrophobicContact CD1-CG 4.39Å; L102-L106 HydrophobicContact CG-CD1 4.35Å; L102-L106 WeakPolarHBondContact O-CG 3.32Å; L102-L106 PolarHBondContact O-N 2.82Å; I103-L106 HydrophobicContact CD1-CD1 4.25Å; I103-L106 PolarHBondContact O-N 2.62Å; L106-A109 PolarHBondContact O-N 2.91Å; L106-A110 PolarHBondContact O-N 3.32Å; L106-V116 HydrophobicContact CD2-CB 4.34Å; L106-V116 HydrophobicContact CD2-CG1 3.94Å; L106-V116 HydrophobicContact CD2-CG2 3.98Å; L106-I167 HydrophobicContact CD1-CG2 4.46Å; L106-W170 HydrophobicContact CB-CD2 3.92Å; L106-W170 HydrophobicContact CB-CE3 3.6Å; L106-W170 HydrophobicContact CB-CH2 4.44Å; L106-W170 HydrophobicContact CB-CZ3 3.88Å; L106-W170 HydrophobicContact CD1-CB 3.92Å; L106-W170 HydrophobicContact CD1-CD2 3.97Å; L106-W170 HydrophobicContact CD1-CE3 4.4Å; L106-W170 HydrophobicContact CD1-CG 3.72Å; L106-N177 PolarHBondContact O-ND2 3.1Å; L106-N177 VanDerWaalsContact O-ND2 3.17Å; L106-I178 HydrophobicContact CD1-CD1 4.1Å; L106-I178 HydrophobicContact CD2-CD1 4.04Å; L106-I178 HydrophobicContact CD2-CG1 3.92Å
107	N	98.5	Very high	98	Very high	70 Å²	70	38.6 Å²	38.6	37%	0.374	22%	0.223	S	C	.	.	H	α-helix	trans	-63.7	-45.2	175.1	-172.6	74.9	0	0	0	112.4	I103 A104 F105 A109 A110 L111 W170	I103-N107 WeakPolarHBondContact O-CB 3.32Å; I103-N107 PolarHBondContact O-N 3.45Å; A104-N107 WeakPolarHBondContact O-CB 3.43Å; A104-N107 PolarHBondContact O-N 2.86Å; F105-N107 VanDerWaalsContact C-N 3.29Å; F105-N107 PolarHBondContact O-N 3.19Å; N107-A109 VanDerWaalsContact C-N 3.28Å; N107-A109 PolarHBondContact O-N 2.87Å; N107-A110 WeakPolarHBondContact O-CB 3.49Å; N107-A110 PolarHBondContact O-N 2.91Å; N107-A110 VanDerWaalsContact O-N 3.15Å; N107-L111 WeakPolarHBondContact O-CG 3.26Å; N107-L111 PolarHBondContact O-N 3.09Å; N107-W170 HydrophobicContact CB-CH2 3.68Å; N107-W170 HydrophobicContact CB-CZ3 4.29Å
108	E	98.6	Very high	98.1	Very high	56 Å²	56	32.7 Å²	32.7	26%	0.262	19%	0.192	S	C	.	.	H	α-helix	trans	-60.6	-38.8	175.7	-67.2	-65	167.4	0	0	111.4	L67 A104 F105 L111 A112	L67-E108 HydrophobicContact CD1-CB 3.6Å; A104-E108 WeakPolarHBondContact O-CG 3.17Å; A104-E108 PolarHBondContact O-N 2.92Å; F105-E108 PolarHBondContact O-N 2.9Å; E108-L111 PolarHBondContact O-N 2.84Å; E108-A112 WeakPolarHBondContact O-CB 3.31Å; E108-A112 PolarHBondContact O-N 2.89Å
109	A	98.7	Very high	98.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.7	-40.4	174.6	0	0	0	0	0	111.9	L67 I78 F105 L106 N107 A112 N113 L114 V116	L67-A109 HydrophobicContact CD1-CB 4.35Å; I78-A109 HydrophobicContact CD1-CB 3.55Å; I78-A109 HydrophobicContact CG1-CB 4.38Å; F105-A109 PolarHBondContact O-N 3.25Å; L106-A109 PolarHBondContact O-N 2.91Å; N107-A109 VanDerWaalsContact C-N 3.28Å; N107-A109 PolarHBondContact O-N 2.87Å; A109-A112 CarbonylContact O-C 3.54Å; A109-A112 PolarHBondContact O-N 3.11Å; A109-N113 PolarHBondContact O-N 2.72Å; A109-L114 PolarHBondContact O-N 3.49Å; A109-V116 HydrophobicContact CB-CG2 4.08Å
110	A	98.4	Very high	98.5	Very high	45 Å²	45	28.7 Å²	28.7	37%	0.372	16%	0.157	S	C	.	.	H	α-helix	trans	-64.4	-43.4	175.1	0	0	0	0	0	111.9	L106 N107 A112 N113 N177	L106-A110 PolarHBondContact O-N 3.32Å; N107-A110 WeakPolarHBondContact O-CB 3.49Å; N107-A110 PolarHBondContact O-N 2.91Å; N107-A110 VanDerWaalsContact O-N 3.15Å; A110-A112 VanDerWaalsContact C-N 3.28Å; A110-A112 PolarHBondContact O-N 2.78Å; A110-N113 WeakPolarHBondContact O-CA 3.5Å; A110-N113 PolarHBondContact O-N 3.27Å; A110-N177 PolarHBondContact N-ND2 3.4Å
111	L	98.4	Very high	98.5	Very high	128 Å²	128	26.6 Å²	26.6	67%	0.67	15%	0.15	S	C	*	.	H	α-helix	trans	-62.4	-34.8	175	-70.9	176.5	0	0	0	112.4	N107 E108 N113	N107-L111 WeakPolarHBondContact O-CG 3.26Å; N107-L111 PolarHBondContact O-N 3.09Å; E108-L111 PolarHBondContact O-N 2.84Å; L111-N113 PolarHBondContact O-N 3.04Å
112	A	97.7	Very high	98.5	Very high	16 Å²	16	25.1 Å²	25.1	13%	0.132	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	1.9	172.7	0	0	0	0	0	113.5	L67 R71 E108 A109 A110 L114	L67-A112 HydrophobicContact CB-CB 4.01Å; R71-A112 WeakPolarHBondContact CD-O 3.44Å; R71-A112 VanDerWaalsContact CG-O 3.26Å; R71-A112 WeakPolarHBondContact CG-O 3.42Å; E108-A112 WeakPolarHBondContact O-CB 3.31Å; E108-A112 PolarHBondContact O-N 2.89Å; A109-A112 CarbonylContact O-C 3.54Å; A109-A112 PolarHBondContact O-N 3.11Å; A110-A112 VanDerWaalsContact C-N 3.28Å; A110-A112 PolarHBondContact O-N 2.78Å; A112-L114 HydrophobicContact CB-CD1 3.81Å; A112-L114 HydrophobicContact CB-CG 4.31Å
113	N	97.2	Very high	98.6	Very high	117 Å²	117	25.7 Å²	25.7	63%	0.626	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	49.3	-176	-168	26.4	0	0	0	112.7	A109 A110 L111	A109-N113 PolarHBondContact O-N 2.72Å; A110-N113 WeakPolarHBondContact O-CA 3.5Å; A110-N113 PolarHBondContact O-N 3.27Å; L111-N113 PolarHBondContact O-N 3.04Å
114	L	98.8	Very high	98.6	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.016	13%	0.131	C	C	.	.			trans	-118.3	131.2	177.5	-68.2	160.8	0	0	0	110.2	L67 R71 L75 I78 A109 A112 N177	L67-L114 HydrophobicContact CB-CD1 4.29Å; L67-L114 HydrophobicContact CD2-CD1 4.21Å; L67-L114 WeakPolarHBondContact O-CD1 3.49Å; R71-L114 HydrophobicContact CB-CD1 4.16Å; R71-L114 HydrophobicContact CB-CD2 4.26Å; R71-L114 HydrophobicContact CB-CG 4.26Å; L75-L114 HydrophobicContact CB-CD2 4.27Å; L75-L114 WeakPolarHBondContact O-CD2 3.28Å; I78-L114 HydrophobicContact CG2-CB 4.15Å; I78-L114 HydrophobicContact CG2-CD1 3.68Å; I78-L114 HydrophobicContact CG2-CD2 4.28Å; I78-L114 HydrophobicContact CG2-CG 4.24Å; A109-L114 PolarHBondContact O-N 3.49Å; A112-L114 HydrophobicContact CB-CD1 3.81Å; A112-L114 HydrophobicContact CB-CG 4.31Å; L114-N177 PolarHBondContact O-ND2 2.93Å
115	L	98.9	Very high	98.6	Very high	23 Å²	23	22.7 Å²	22.7	12%	0.12	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	161.9	166.6	-60.9	169.5	0	0	0	110.1	L41 F46 N76 A77 I78 Y172 N177 I179	L41-L115 HydrophobicContact CD1-CD1 4.39Å; L41-L115 HydrophobicContact CD2-CD1 4.01Å; F46-L115 HydrophobicContact CE1-CD1 4.29Å; F46-L115 HydrophobicContact CE2-CD1 3.93Å; F46-L115 HydrophobicContact CZ-CD1 3.52Å; N76-L115 PolarHBondContact O-N 2.69Å; A77-L115 CarbonylContact C-O 3.51Å; A77-L115 WeakPolarHBondContact CA-O 3.45Å; A77-L115 HydrophobicContact CB-CB 4.06Å; I78-L115 PolarHBondContact N-O 2.85Å; L115-Y172 HydrophobicContact CD2-CD2 3.78Å; L115-Y172 HydrophobicContact CD2-CE2 3.55Å; L115-N177 CarbonylContact C-O 3.43Å; L115-I179 HydrophobicContact CB-CD1 4.05Å; L115-I179 HydrophobicContact CB-CG1 4.29Å; L115-I179 HydrophobicContact CB-CG2 4.2Å; L115-I179 HydrophobicContact CD1-CD1 4.23Å; L115-I179 HydrophobicContact CD1-CG2 4.16Å; L115-I179 HydrophobicContact CD2-CG2 3.87Å; L115-I179 HydrophobicContact CG-CG2 4.29Å
116	V	98.9	Very high	98.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128.3	-174.9	172.6	0	0	0	0	111	I78 F80 L106 A109 L118 N177 I178 I179	I78-V116 HydrophobicContact CD1-CG2 4.2Å; I78-V116 HydrophobicContact CG1-CG2 3.94Å; F80-V116 HydrophobicContact CD1-CG1 4.2Å; F80-V116 HydrophobicContact CE1-CG1 3.46Å; F80-V116 VanDerWaalsContact CE1-CG1 3.46Å; F80-V116 HydrophobicContact CE1-CG2 4.26Å; F80-V116 HydrophobicContact CZ-CG1 4.09Å; L106-V116 HydrophobicContact CD2-CB 4.34Å; L106-V116 HydrophobicContact CD2-CG1 3.94Å; L106-V116 HydrophobicContact CD2-CG2 3.98Å; A109-V116 HydrophobicContact CB-CG2 4.08Å; V116-L118 HydrophobicContact CG1-CB 4.26Å; V116-N177 WeakPolarHBondContact CG2-ND2 3.38Å; V116-N177 PolarHBondContact N-O 2.88Å; V116-I178 HydrophobicContact CB-CG1 4.07Å; V116-I178 HydrophobicContact CG1-CG1 3.96Å; V116-I178 WeakPolarHBondContact O-CA 3.48Å; V116-I179 WeakPolarHBondContact O-CG1 3.4Å; V116-I179 PolarHBondContact O-N 3.35Å
117	I	98.9	Very high	98.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	107.7	164.4	-59.2	164.8	0	0	0	106.4	Y48 A77 I78 Q79 F80 I179 F216	Y48-I117 HydrophobicContact CD1-CD1 4.21Å; Y48-I117 HydrophobicContact CD2-CD1 3.65Å; Y48-I117 HydrophobicContact CE1-CD1 4.14Å; Y48-I117 HydrophobicContact CE2-CD1 3.57Å; Y48-I117 HydrophobicContact CG-CD1 3.96Å; A77-I117 HydrophobicContact CB-CD1 4.47Å; I78-I117 PolarHBondContact O-N 2.73Å; Q79-I117 WeakPolarHBondContact CA-O 3.3Å; Q79-I117 HydrophobicContact CB-CB 4.17Å; Q79-I117 HydrophobicContact CG-CB 4.18Å; Q79-I117 HydrophobicContact CG-CG2 4.04Å; Q79-I117 VanDerWaalsContact OE1-CG2 3.31Å; F80-I117 PolarHBondContact N-O 2.96Å; I117-I179 HydrophobicContact CG1-CD1 4.29Å; I117-I179 HydrophobicContact CG1-CG1 4.32Å; I117-F216 HydrophobicContact CG2-CE1 3.74Å; I117-F216 HydrophobicContact CG2-CZ 3.58Å
118	L	98.9	Very high	98.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	135.2	-173.3	-172.4	68.9	0	0	0	111	F80 V82 V116 P120 I167 I178 S180 I181 Q182	F80-L118 HydrophobicContact CD2-CD1 3.94Å; F80-L118 HydrophobicContact CE1-CD1 4.23Å; F80-L118 HydrophobicContact CE2-CD1 3.26Å; F80-L118 HydrophobicContact CZ-CD1 3.45Å; F80-L118 VanDerWaalsContact CZ-CD1 3.45Å; V82-L118 HydrophobicContact CG2-CD1 3.74Å; V82-L118 HydrophobicContact CG2-CG 4.41Å; V116-L118 HydrophobicContact CG1-CB 4.26Å; L118-P120 HydrophobicContact CD2-CB 4.47Å; L118-P120 WeakPolarHBondContact O-CD 3.45Å; L118-I167 HydrophobicContact CD2-CB 4.48Å; L118-I167 HydrophobicContact CD2-CD1 3.39Å; L118-I167 HydrophobicContact CD2-CG2 4.2Å; L118-I178 HydrophobicContact CB-CG2 4.12Å; L118-I178 HydrophobicContact CD2-CD1 4.2Å; L118-S180 PolarHBondContact N-O 3.1Å; L118-I181 HydrophobicContact CB-CG1 4.25Å; L118-I181 CarbonylContact O-C 3.5Å; L118-I181 VanDerWaalsContact O-CA 3.26Å; L118-I181 WeakPolarHBondContact O-CA 3.27Å; L118-Q182 PolarHBondContact O-N 3.43Å
119	R	98.9	Very high	98.5	Very high	1 Å²	1	17.4 Å²	17.4	0%	0.004	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	80.4	176.6	-61.2	-174.9	57.2	165.3	0.3	111.1	Q79 F80 Y81 V82 G121 Q182 N185 E264	Q79-R119 HydrophobicContact CG-CG 4.06Å; F80-R119 PolarHBondContact O-N 2.96Å; Y81-R119 CarbonylContact C-O 3.59Å; Y81-R119 WeakPolarHBondContact CA-O 3.12Å; Y81-R119 HydrophobicContact CD1-CB 3.3Å; Y81-R119 HydrophobicContact CD1-CG 4.38Å; Y81-R119 WeakPolarHBondContact CD1-O 3.04Å; Y81-R119 HydrophobicContact CE1-CB 3.59Å; Y81-R119 HydrophobicContact CE1-CG 4.29Å; Y81-R119 VanDerWaalsContact CE1-CZ 3.48Å; Y81-R119 HydrophobicContact CG-CB 4.25Å; Y81-R119 VanDerWaalsContact CZ-CZ 3.47Å; Y81-R119 PolarHBondContact OH-NE 3.33Å; Y81-R119 PolarHBondContact OH-NH1 2.98Å; Y81-R119 PolarHBondContact OH-NH2 2.93Å; V82-R119 PolarHBondContact N-O 2.97Å; V82-R119 VanDerWaalsContact N-O 3.07Å; R119-G121 VanDerWaalsContact C-N 3.31Å; R119-G121 PolarHBondContact O-N 2.79Å; R119-Q182 HydrophobicContact CB-CB 4.25Å; R119-Q182 HydrophobicContact CG-CB 3.76Å; R119-Q182 VanDerWaalsContact CZ-CD 3.48Å; R119-Q182 VanDerWaalsContact CZ-NE2 3.25Å; R119-Q182 VanDerWaalsContact NE-NE2 3.14Å; R119-N185 PolarHBondContact NH2-OD1 3.1Å; R119-E264 IonicContact CZ-OE1 3.7Å; R119-E264 VanDerWaalsContact NH1-CD 3.3Å; R119-E264 IonicContact NH1-OE1 3.57Å; R119-E264 PolarHBondContact NH1-OE1 2.95Å; R119-E264 IonicContact NH2-OE1 3.64Å; R119-E264 PolarHBondContact NH2-OE1 3.27Å
120	P	98.8	Very high	98.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.102	C	C	.	.			trans	-83	-0.4	-169.7	35.2	-38.9	0	0	0	115.1	V82 L118 F160 L163 I181 Q182 F205	V82-P120 HydrophobicContact CB-CB 4.33Å; V82-P120 HydrophobicContact CG2-CB 4.26Å; L118-P120 HydrophobicContact CD2-CB 4.47Å; L118-P120 WeakPolarHBondContact O-CD 3.45Å; P120-F160 HydrophobicContact CB-CE1 4.18Å; P120-F160 HydrophobicContact CG-CE1 4.43Å; P120-L163 HydrophobicContact CB-CD2 3.64Å; P120-I181 HydrophobicContact CG-CG2 3.65Å; P120-Q182 WeakPolarHBondContact CD-O 3.48Å; P120-F205 HydrophobicContact CG-CE1 3.69Å; P120-F205 HydrophobicContact CG-CZ 3.8Å
121	G	98.4	Very high	98.5	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.01	9%	0.085	C	C	.	.			trans	86.7	-138.4	176	0	0	0	0	0	114.2	R119 Y123 E184	R119-G121 VanDerWaalsContact C-N 3.31Å; R119-G121 PolarHBondContact O-N 2.79Å; G121-Y123 VanDerWaalsContact CA-O 3.27Å; G121-Y123 WeakPolarHBondContact CA-O 3.26Å; G121-E184 PolarHBondContact O-N 3.23Å; G121-E184 VanDerWaalsContact O-N 3.15Å
122	P	98.5	Very high	98.5	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.053	C	C	.	.	S	Bend	cis	-83.6	-22.9	29	30	-33.6	0	0	0	114.7	W84 L133 V156 F160 L201	W84-P122 HydrophobicContact CE3-CB 3.95Å; W84-P122 HydrophobicContact CZ3-CB 4.22Å; P122-L133 WeakPolarHBondContact O-CD2 3.25Å; P122-V156 HydrophobicContact CB-CG2 4.2Å; P122-V156 HydrophobicContact CG-CG1 4.16Å; P122-V156 HydrophobicContact CG-CG2 3.89Å; P122-F160 HydrophobicContact CB-CE2 3.77Å; P122-F160 HydrophobicContact CB-CZ 3.91Å; P122-F160 HydrophobicContact CG-CE2 3.94Å; P122-F160 HydrophobicContact CG-CZ 4.33Å; P122-L201 HydrophobicContact CG-CD2 4.32Å
123	Y	98.8	Very high	98.5	Very high	12 Å²	12	9 Å²	9	5%	0.047	5%	0.047	C	C	.	.			trans	-94	137.8	165.1	165.2	-90.1	0	0	0	109.3	G121 C125 L133 R146 N185 S482	G121-Y123 VanDerWaalsContact CA-O 3.27Å; G121-Y123 WeakPolarHBondContact CA-O 3.26Å; Y123-C125 HydrophobicContact CE1-CB 3.8Å; Y123-C125 WeakPolarHBondContact OH-CB 3.41Å; Y123-L133 HydrophobicContact CD2-CD1 4.24Å; Y123-L133 HydrophobicContact CD2-CG 4.35Å; Y123-R146 VanDerWaalsContact CD1-NE 3.34Å; Y123-R146 VanDerWaalsContact CE1-NH1 3.28Å; Y123-R146 HydrophobicContact CG-CG 4.37Å; Y123-N185 HydrophobicContact CD1-CB 3.95Å; Y123-N185 HydrophobicContact CE1-CB 4.21Å; Y123-N185 VanDerWaalsContact O-CB 3.28Å; Y123-N185 WeakPolarHBondContact O-CB 3.49Å; Y123-S482 VanDerWaalsContact CE2-O 3.29Å; Y123-S482 WeakPolarHBondContact CE2-O 3.48Å; Y123-S482 PolarHBondContact OH-O 3.39Å
124	I	98.8	Very high	98.6	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.018	C	C	.	.			trans	-125.9	-2.8	-174.3	62.4	163.1	0	0	0	114.1	F56 Y81 P83 A126 G131 N185	F56-I124 HydrophobicContact CZ-CD1 4.39Å; Y81-I124 HydrophobicContact CD1-CB 3.5Å; Y81-I124 HydrophobicContact CD1-CG2 3.59Å; Y81-I124 HydrophobicContact CD2-CB 4.47Å; Y81-I124 HydrophobicContact CE1-CB 3.94Å; Y81-I124 HydrophobicContact CE1-CG2 4.31Å; Y81-I124 HydrophobicContact CG-CB 3.82Å; Y81-I124 HydrophobicContact CG-CD1 4.11Å; Y81-I124 HydrophobicContact CG-CG2 4.09Å; P83-I124 HydrophobicContact CB-CD1 3.8Å; I124-A126 HydrophobicContact CD1-CB 4.02Å; I124-A126 HydrophobicContact CG1-CB 4.19Å; I124-A126 WeakPolarHBondContact O-CB 3.35Å; I124-A126 PolarHBondContact O-N 3.4Å; I124-G131 VanDerWaalsContact CG1-O 3.28Å; I124-G131 WeakPolarHBondContact CG1-O 3.47Å; I124-G131 PolarHBondContact N-O 3Å; I124-N185 PolarHBondContact O-OD1 3.44Å
125	C	98	Very high	98.6	Very high	5 Å²	5	3.7 Å²	3.7	3%	0.034	2%	0.019	C	C	.	.			trans	53.5	-99	-170.8	-172.1	0	0	0	0	111.8	Y123 E127 W128 G131	Y123-C125 HydrophobicContact CE1-CB 3.8Å; Y123-C125 WeakPolarHBondContact OH-CB 3.41Å; C125-E127 PolarHBondContact O-N 2.83Å; C125-E127 VanDerWaalsContact O-N 3.09Å; C125-W128 PolarHBondContact O-N 2.95Å; C125-G131 WeakPolarHBondContact O-CA 3.35Å
126	A	97.8	Very high	98.5	Very high	1 Å²	1	3.9 Å²	3.9	1%	0.008	2%	0.018	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	20.8	165.5	0	0	0	0	0	115.3	R57 Y81 I124 W128	R57-A126 VanDerWaalsContact CZ-O 3.32Å; R57-A126 PolarHBondContact NH1-O 3.06Å; R57-A126 PolarHBondContact NH2-O 3.43Å; Y81-A126 HydrophobicContact CD2-CB 3.57Å; Y81-A126 HydrophobicContact CE2-CB 3.59Å; Y81-A126 HydrophobicContact CG-CB 4.43Å; I124-A126 HydrophobicContact CD1-CB 4.02Å; I124-A126 HydrophobicContact CG1-CB 4.19Å; I124-A126 WeakPolarHBondContact O-CB 3.35Å; I124-A126 PolarHBondContact O-N 3.4Å; A126-W128 HydrophobicContact CB-CB 4.34Å; A126-W128 PolarHBondContact O-N 2.89Å
127	E	98.4	Very high	98.5	Very high	10 Å²	10	4.1 Å²	4.1	5%	0.047	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	31	-176.2	-70.1	75.1	-103.1	0	0	112.2	R57 C125 L270 G315 I325 Y329	R57-E127 PolarHBondContact NH2-O 3.38Å; C125-E127 PolarHBondContact O-N 2.83Å; C125-E127 VanDerWaalsContact O-N 3.09Å; E127-L270 HydrophobicContact CG-CB 3.76Å; E127-L270 HydrophobicContact CG-CD1 3.78Å; E127-L270 HydrophobicContact CG-CD2 3.68Å; E127-L270 HydrophobicContact CG-CG 3.93Å; E127-G315 PolarHBondContact O-N 2.65Å; E127-I325 HydrophobicContact CB-CD1 3.41Å; E127-I325 VanDerWaalsContact CB-CD1 3.41Å; E127-I325 HydrophobicContact CB-CG2 4.28Å; E127-I325 HydrophobicContact CG-CD1 3.48Å; E127-I325 VanDerWaalsContact CG-CD1 3.48Å; E127-Y329 HydrophobicContact CB-CD2 4.44Å; E127-Y329 HydrophobicContact CB-CE2 3.63Å; E127-Y329 HydrophobicContact CG-CE2 4Å; E127-Y329 PolarHBondContact OE2-OH 3.4Å
128	W	98.8	Very high	98.4	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.02	C	C	.	.	B	Isolated β-bridge	trans	-114.7	148.7	-172.5	-174.7	-97.6	0	0	0	109.9	F56 R57 N85 Y86 C125 A126 M130 G131 W313 S482	F56-W128 HydrophobicContact CB-CH2 4.23Å; F56-W128 HydrophobicContact CD2-CD2 4.04Å; F56-W128 AromaticContact CD2-CE3 3.68Å; F56-W128 HydrophobicContact CD2-CE3 3.68Å; F56-W128 AromaticContact CD2-CH2 3.37Å; F56-W128 HydrophobicContact CD2-CH2 3.37Å; F56-W128 AromaticContact CD2-CZ2 3.78Å; F56-W128 HydrophobicContact CD2-CZ2 3.78Å; F56-W128 AromaticContact CD2-CZ3 3.34Å; F56-W128 HydrophobicContact CD2-CZ3 3.34Å; F56-W128 AromaticContact CE2-CD2 3.78Å; F56-W128 HydrophobicContact CE2-CD2 3.78Å; F56-W128 AromaticContact CE2-CE3 3.5Å; F56-W128 HydrophobicContact CE2-CE3 3.5Å; F56-W128 HydrophobicContact CE2-CG 4.41Å; F56-W128 HydrophobicContact CE2-CH2 4.09Å; F56-W128 HydrophobicContact CE2-CZ2 4.35Å; F56-W128 AromaticContact CE2-CZ3 3.69Å; F56-W128 HydrophobicContact CE2-CZ3 3.69Å; F56-W128 HydrophobicContact CG-CH2 4.2Å; F56-W128 HydrophobicContact CG-CZ2 4.42Å; R57-W128 HydrophobicContact CG-CZ3 4.1Å; N85-W128 PolarHBondContact OD1-NE1 3.43Å; Y86-W128 HydrophobicContact CD2-CH2 4.46Å; Y86-W128 AromaticContact CD2-CZ2 3.9Å; Y86-W128 HydrophobicContact CD2-CZ2 3.9Å; Y86-W128 HydrophobicContact CE2-CZ2 4.49Å; Y86-W128 HydrophobicContact CG-CZ2 4.47Å; C125-W128 PolarHBondContact O-N 2.95Å; A126-W128 HydrophobicContact CB-CB 4.34Å; A126-W128 PolarHBondContact O-N 2.89Å; W128-M130 PolarHBondContact O-N 3.08Å; W128-G131 PolarHBondContact O-N 3.45Å; W128-W313 HydrophobicContact CD2-CB 4.15Å; W128-W313 AromaticContact CE2-CE3 3.53Å; W128-W313 HydrophobicContact CE3-CB 3.8Å; W128-W313 VanDerWaalsContact CE3-O 3.27Å; W128-W313 HydrophobicContact CH2-CB 3.18Å; W128-W313 AromaticContact CH2-CD1 3.87Å; W128-W313 AromaticContact CH2-CD2 3.76Å; W128-W313 HydrophobicContact CH2-CD2 3.76Å; W128-W313 HydrophobicContact CH2-CE3 4.09Å; W128-W313 AromaticContact CH2-CG 3.35Å; W128-W313 HydrophobicContact CH2-CG 3.35Å; W128-W313 HydrophobicContact CZ2-CB 3.54Å; W128-W313 AromaticContact CZ2-CD2 3.36Å; W128-W313 HydrophobicContact CZ2-CD2 3.36Å; W128-W313 AromaticContact CZ2-CE3 3.23Å; W128-W313 HydrophobicContact CZ2-CE3 3.23Å; W128-W313 AromaticContact CZ2-CG 3.5Å; W128-W313 HydrophobicContact CZ2-CG 3.5Å; W128-W313 AromaticContact CZ2-CZ3 3.91Å; W128-W313 HydrophobicContact CZ2-CZ3 3.91Å; W128-W313 HydrophobicContact CZ3-CB 3.3Å; W128-W313 HydrophobicContact CZ3-CG 4.02Å; W128-W313 AromaticContact NE1-CE3 3.66Å; W128-S482 WeakPolarHBondContact O-CB 3.41Å
129	E	98.6	Very high	98.3	Very high	3 Å²	3	7.7 Å²	7.7	1%	0.014	3%	0.033	C	C	.	.	G	3₁₀ helix	trans	-40	117.5	-178.7	175.3	63.8	-177	0	0	112.1	N85 G131 G132 W313 N477 G479 R480	N85-E129 PolarHBondContact ND2-O 2.96Å; E129-G131 PolarHBondContact O-N 2.91Å; E129-G131 VanDerWaalsContact O-N 3.14Å; E129-G132 PolarHBondContact O-N 3.42Å; E129-W313 HydrophobicContact CB-CE3 4.37Å; E129-W313 PolarHBondContact N-O 3.35Å; E129-N477 PolarHBondContact OE1-ND2 3.48Å; E129-G479 WeakPolarHBondContact OE2-CA 3.48Å; E129-R480 WeakPolarHBondContact OE1-CB 3.36Å; E129-R480 WeakPolarHBondContact OE1-CG 3.49Å; E129-R480 IonicContact OE1-CZ 2.78Å; E129-R480 IonicContact OE1-NH1 3.3Å; E129-R480 PolarHBondContact OE1-NH1 2.91Å; E129-R480 PolarHBondContact OE2-N 2.79Å
130	M	98.4	Very high	98.2	Very high	10 Å²	10	12.5 Å²	12.5	5%	0.049	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	52.7	30.2	179.1	-154.6	178.5	163.1	0	0	114.8	W128 G132 L133 L138 L145 R480 L481	W128-M130 PolarHBondContact O-N 3.08Å; M130-G132 PolarHBondContact O-N 2.69Å; M130-L133 HydrophobicContact CE-CB 4.3Å; M130-L133 HydrophobicContact CG-CB 4.26Å; M130-L133 WeakPolarHBondContact O-CB 3.42Å; M130-L133 PolarHBondContact O-N 3.49Å; M130-L133 HydrophobicContact SD-CB 4.42Å; M130-L138 HydrophobicContact CE-CD1 3.75Å; M130-L138 HydrophobicContact CE-CD2 3.6Å; M130-L138 HydrophobicContact CE-CG 3.6Å; M130-L138 HydrophobicContact SD-CD1 4.11Å; M130-L138 HydrophobicContact SD-CG 4.33Å; M130-L145 HydrophobicContact CE-CD1 3.34Å; M130-L145 HydrophobicContact CE-CD2 4.43Å; M130-R480 HydrophobicContact CB-CB 3.67Å; M130-R480 HydrophobicContact CB-CG 4.43Å; M130-R480 HydrophobicContact CG-CB 4.04Å; M130-R480 PolarHBondContact N-O 3.4Å; M130-R480 VanDerWaalsContact SD-CD 3.54Å; M130-L481 WeakPolarHBondContact CA-O 3.06Å
131	G	98.3	Very high	97.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	61.6	27.3	-177.2	0	0	0	0	0	113.1	I124 C125 W128 E129 L133	I124-G131 VanDerWaalsContact CG1-O 3.28Å; I124-G131 WeakPolarHBondContact CG1-O 3.47Å; I124-G131 PolarHBondContact N-O 3Å; C125-G131 WeakPolarHBondContact O-CA 3.35Å; W128-G131 PolarHBondContact O-N 3.45Å; E129-G131 PolarHBondContact O-N 2.91Å; E129-G131 VanDerWaalsContact O-N 3.14Å; G131-L133 VanDerWaalsContact C-N 3.28Å; G131-L133 PolarHBondContact O-N 3Å
132	G	98.6	Very high	97.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	82	-5.9	-175.5	0	0	0	0	0	115.2	W84 N85 E129 M130	W84-G132 WeakPolarHBondContact CB-O 3.28Å; W84-G132 PolarHBondContact N-O 2.99Å; N85-G132 WeakPolarHBondContact CB-O 3.14Å; N85-G132 VanDerWaalsContact CG-O 3.25Å; N85-G132 PolarHBondContact N-O 3.09Å; E129-G132 PolarHBondContact O-N 3.42Å; M130-G132 PolarHBondContact O-N 2.69Å
133	L	98.8	Very high	97.6	Very high	4 Å²	4	25 Å²	25	2%	0.021	12%	0.12	C	C	.	.			trans	-73.4	141.5	175.8	-62.2	177.7	0	0	0	111.1	W84 N85 P122 Y123 M130 G131 L137 L145 R146 F152	W84-L133 HydrophobicContact CE3-CD2 3.89Å; W84-L133 HydrophobicContact CZ3-CD2 4.13Å; N85-L133 WeakPolarHBondContact CB-O 3.36Å; N85-L133 PolarHBondContact ND2-O 2.95Å; N85-L133 VanDerWaalsContact ND2-O 3.15Å; P122-L133 WeakPolarHBondContact O-CD2 3.25Å; Y123-L133 HydrophobicContact CD2-CD1 4.24Å; Y123-L133 HydrophobicContact CD2-CG 4.35Å; M130-L133 HydrophobicContact CE-CB 4.3Å; M130-L133 HydrophobicContact CG-CB 4.26Å; M130-L133 WeakPolarHBondContact O-CB 3.42Å; M130-L133 PolarHBondContact O-N 3.49Å; M130-L133 HydrophobicContact SD-CB 4.42Å; G131-L133 VanDerWaalsContact C-N 3.28Å; G131-L133 PolarHBondContact O-N 3Å; L133-L137 HydrophobicContact CB-CD1 4.13Å; L133-L137 HydrophobicContact CD2-CD1 4.49Å; L133-L145 HydrophobicContact CD1-CB 4.27Å; L133-L145 HydrophobicContact CD1-CD1 4.15Å; L133-L145 HydrophobicContact CD1-CD2 4.42Å; L133-R146 HydrophobicContact CD1-CG 4.37Å; L133-F152 HydrophobicContact CD1-CE2 4.44Å; L133-F152 HydrophobicContact CD2-CE2 4.19Å; L133-F152 HydrophobicContact CD2-CZ 4.3Å
134	P	98.4	Very high	97.5	Very high	2 Å²	2	33 Å²	33	1%	0.013	15%	0.15	C	C	.	.			trans	-71.3	133.8	176.5	-18.3	29.5	0	0	0	112.8	W84 N85 W136 L137	W84-P134 HydrophobicContact CB-CG 4.44Å; W84-P134 HydrophobicContact CD2-CG 3.54Å; W84-P134 VanDerWaalsContact CE3-CD 3.49Å; W84-P134 HydrophobicContact CE3-CG 4.19Å; W84-P134 HydrophobicContact CG-CG 3.65Å; W84-P134 HydrophobicContact CZ2-CG 4.19Å; N85-P134 HydrophobicContact CB-CB 4.23Å; N85-P134 HydrophobicContact CB-CG 4.22Å; P134-W136 VanDerWaalsContact CB-CD1 3.45Å; P134-W136 HydrophobicContact CB-CD2 3.95Å; P134-W136 VanDerWaalsContact CB-CE2 3.41Å; P134-W136 HydrophobicContact CB-CG 3.97Å; P134-W136 HydrophobicContact CB-CZ2 3.98Å; P134-W136 HydrophobicContact CG-CZ2 3.88Å; P134-W136 PolarHBondContact O-N 3.27Å; P134-W136 VanDerWaalsContact O-N 3.13Å; P134-L137 VanDerWaalsContact O-CB 3.32Å; P134-L137 WeakPolarHBondContact O-CB 3.41Å; P134-L137 WeakPolarHBondContact O-CG 3.3Å; P134-L137 PolarHBondContact O-N 2.9Å; P134-L137 VanDerWaalsContact O-N 3.08Å
135	S	97.6	Very high	97.5	Very high	5 Å²	5	33.9 Å²	33.9	4%	0.035	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-60.2	-25	177.6	48.5	0	0	0	0	113.7	L137 L138 D410	S135-L137 PolarHBondContact O-N 2.78Å; S135-L138 WeakPolarHBondContact O-CB 3.36Å; S135-L138 PolarHBondContact O-N 3.39Å; S135-L138 VanDerWaalsContact O-N 3.08Å; S135-D410 VanDerWaalsContact OG-CB 3.27Å; S135-D410 WeakPolarHBondContact OG-CB 3.37Å; S135-D410 VanDerWaalsContact OG-CG 3.29Å; S135-D410 PolarHBondContact OG-OD1 2.92Å
136	W	98.1	Very high	97.5	Very high	27 Å²	27	34.2 Å²	34.2	10%	0.102	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-65.5	-17.3	177.9	59.5	-110.8	0	0	0	113.3	W84 E88 P91 P134 L138 R139 A155	W84-W136 HydrophobicContact CH2-CH2 4.39Å; W84-W136 AromaticContact CZ2-CH2 3.76Å; W84-W136 HydrophobicContact CZ2-CH2 3.76Å; W84-W136 AromaticContact CZ2-CZ2 3.84Å; W84-W136 HydrophobicContact CZ2-CZ2 3.84Å; E88-W136 HydrophobicContact CG-CZ2 4.2Å; E88-W136 PolarHBondContact O-NE1 3Å; P91-W136 HydrophobicContact CB-CD2 4.4Å; P91-W136 HydrophobicContact CB-CE3 4.45Å; P91-W136 HydrophobicContact CG-CB 4.27Å; P91-W136 HydrophobicContact CG-CD2 3.58Å; P91-W136 HydrophobicContact CG-CE3 3.76Å; P91-W136 HydrophobicContact CG-CG 3.82Å; P91-W136 HydrophobicContact CG-CZ3 4.31Å; P134-W136 VanDerWaalsContact CB-CD1 3.45Å; P134-W136 HydrophobicContact CB-CD2 3.95Å; P134-W136 VanDerWaalsContact CB-CE2 3.41Å; P134-W136 HydrophobicContact CB-CG 3.97Å; P134-W136 HydrophobicContact CB-CZ2 3.98Å; P134-W136 HydrophobicContact CG-CZ2 3.88Å; P134-W136 PolarHBondContact O-N 3.27Å; P134-W136 VanDerWaalsContact O-N 3.13Å; W136-L138 PolarHBondContact O-N 3.06Å; W136-R139 VanDerWaalsContact O-CB 3.27Å; W136-R139 WeakPolarHBondContact O-CB 3.5Å; W136-R139 VanDerWaalsContact O-CG 3.29Å; W136-R139 WeakPolarHBondContact O-CG 3.21Å; W136-R139 PolarHBondContact O-N 2.78Å; W136-R139 VanDerWaalsContact O-N 3.1Å; W136-A155 HydrophobicContact CH2-CB 3.94Å; W136-A155 HydrophobicContact CZ3-CB 4.11Å
137	L	98.4	Very high	97.5	Very high	5 Å²	5	35 Å²	35	3%	0.026	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-57	-38.5	170.6	-71.6	170.1	0	0	0	110.9	W84 L133 P134 S135 R139 K140 I143 L145 F152 A155	W84-L137 HydrophobicContact CH2-CD1 4.24Å; W84-L137 HydrophobicContact CH2-CD2 4.14Å; W84-L137 HydrophobicContact CZ3-CD1 4.05Å; L133-L137 HydrophobicContact CB-CD1 4.13Å; L133-L137 HydrophobicContact CD2-CD1 4.49Å; P134-L137 VanDerWaalsContact O-CB 3.32Å; P134-L137 WeakPolarHBondContact O-CB 3.41Å; P134-L137 WeakPolarHBondContact O-CG 3.3Å; P134-L137 PolarHBondContact O-N 2.9Å; P134-L137 VanDerWaalsContact O-N 3.08Å; S135-L137 PolarHBondContact O-N 2.78Å; L137-R139 PolarHBondContact O-N 3.03Å; L137-R139 VanDerWaalsContact O-N 3.15Å; L137-K140 PolarHBondContact O-N 3.15Å; L137-I143 HydrophobicContact CB-CD1 4.25Å; L137-I143 HydrophobicContact CD2-CD1 4.16Å; L137-L145 HydrophobicContact CB-CD2 4.09Å; L137-L145 HydrophobicContact CD1-CD2 3.99Å; L137-F152 HydrophobicContact CD1-CD2 4.32Å; L137-F152 HydrophobicContact CD1-CE2 4.1Å; L137-A155 HydrophobicContact CD2-CB 3.58Å
138	L	98	Very high	97.5	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-72.7	-3.4	-179.7	-54.1	-174.7	0	0	0	113.5	M130 S135 W136 K140 I143 L145 E405 S488 F490	M130-L138 HydrophobicContact CE-CD1 3.75Å; M130-L138 HydrophobicContact CE-CD2 3.6Å; M130-L138 HydrophobicContact CE-CG 3.6Å; M130-L138 HydrophobicContact SD-CD1 4.11Å; M130-L138 HydrophobicContact SD-CG 4.33Å; S135-L138 WeakPolarHBondContact O-CB 3.36Å; S135-L138 PolarHBondContact O-N 3.39Å; S135-L138 VanDerWaalsContact O-N 3.08Å; W136-L138 PolarHBondContact O-N 3.06Å; L138-K140 CarbonylContact O-C 3.49Å; L138-K140 PolarHBondContact O-N 3.37Å; L138-K140 VanDerWaalsContact O-N 3.14Å; L138-I143 HydrophobicContact CD2-CG2 4.14Å; L138-L145 HydrophobicContact CD2-CD1 4.04Å; L138-E405 HydrophobicContact CB-CB 4.21Å; L138-E405 HydrophobicContact CB-CG 3.93Å; L138-E405 HydrophobicContact CD1-CG 4.32Å; L138-S488 WeakPolarHBondContact CD2-OG 3.48Å; L138-F490 HydrophobicContact CB-CD1 4.17Å; L138-F490 HydrophobicContact CB-CE1 3.67Å; L138-F490 HydrophobicContact CB-CZ 4.11Å; L138-F490 HydrophobicContact CD1-CD1 4.41Å; L138-F490 HydrophobicContact CD2-CZ 4.49Å; L138-F490 VanDerWaalsContact O-CE1 3.25Å; L138-F490 WeakPolarHBondContact O-CE1 3.44Å
139	R	96.3	Very high	97.5	Very high	74 Å²	74	37.6 Å²	37.6	28%	0.279	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-62.6	-17.4	169.3	-66.3	172.6	-172.3	167.5	6.1	111.9	W136 L137 P141 D410	W136-R139 VanDerWaalsContact O-CB 3.27Å; W136-R139 WeakPolarHBondContact O-CB 3.5Å; W136-R139 VanDerWaalsContact O-CG 3.29Å; W136-R139 WeakPolarHBondContact O-CG 3.21Å; W136-R139 PolarHBondContact O-N 2.78Å; W136-R139 VanDerWaalsContact O-N 3.1Å; L137-R139 PolarHBondContact O-N 3.03Å; L137-R139 VanDerWaalsContact O-N 3.15Å; R139-P141 WeakPolarHBondContact O-CD 3.41Å; R139-D410 IonicContact NH2-OD1 2.85Å
140	K	95.6	Very high	97.5	Very high	101 Å²	101	42.3 Å²	42.3	44%	0.439	21%	0.208	S	C	.	.	S	Bend	trans	-97.5	102	163.5	-67.2	-168	171.6	-162.1	0	108.2	L137 L138 E142 I143 D151	L137-K140 PolarHBondContact O-N 3.15Å; L138-K140 CarbonylContact O-C 3.49Å; L138-K140 PolarHBondContact O-N 3.37Å; L138-K140 VanDerWaalsContact O-N 3.14Å; K140-E142 VanDerWaalsContact C-N 3.26Å; K140-E142 PolarHBondContact O-N 2.94Å; K140-I143 HydrophobicContact CB-CB 4.21Å; K140-I143 WeakPolarHBondContact O-CB 3.38Å; K140-I143 WeakPolarHBondContact O-CG2 3.27Å; K140-I143 PolarHBondContact O-N 2.97Å; K140-D151 HydrophobicContact CD-CB 3.92Å; K140-D151 VanDerWaalsContact CD-OD2 3.25Å; K140-D151 WeakPolarHBondContact CD-OD2 3.28Å; K140-D151 IonicContact NZ-OD1 3.29Å; K140-D151 PolarHBondContact NZ-OD1 3.01Å; K140-D151 IonicContact NZ-OD2 2.85Å; K140-D151 PolarHBondContact NZ-OD2 2.87Å
141	P	92.5	Very high	97.5	Very high	85 Å²	85	45.1 Å²	45.1	55%	0.552	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-34.2	-169.7	-28	37.1	0	0	0	114.6	R139 I143 F490	R139-P141 WeakPolarHBondContact O-CD 3.41Å; P141-I143 VanDerWaalsContact C-N 3.31Å; P141-I143 PolarHBondContact O-N 2.87Å; P141-F490 HydrophobicContact CB-CZ 4.36Å
142	E	95.1	Very high	97.5	Very high	169 Å²	169	45.1 Å²	45.1	79%	0.79	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	3.9	-176.3	-57	-54.2	135.9	0	0	114	K140 R144	K140-E142 VanDerWaalsContact C-N 3.26Å; K140-E142 PolarHBondContact O-N 2.94Å; E142-R144 PolarHBondContact O-N 3.34Å
143	I	96.6	Very high	97.5	Very high	11 Å²	11	46.3 Å²	46.3	6%	0.056	23%	0.229	C	C	.	.			trans	-61.6	130.6	-176.8	-164	170.6	0	0	0	111.2	L137 L138 K140 P141 L145 D151 F152	L137-I143 HydrophobicContact CB-CD1 4.25Å; L137-I143 HydrophobicContact CD2-CD1 4.16Å; L138-I143 HydrophobicContact CD2-CG2 4.14Å; K140-I143 HydrophobicContact CB-CB 4.21Å; K140-I143 WeakPolarHBondContact O-CB 3.38Å; K140-I143 WeakPolarHBondContact O-CG2 3.27Å; K140-I143 PolarHBondContact O-N 2.97Å; P141-I143 VanDerWaalsContact C-N 3.31Å; P141-I143 PolarHBondContact O-N 2.87Å; I143-L145 HydrophobicContact CD1-CD2 4.38Å; I143-L145 HydrophobicContact CG1-CD2 4.48Å; I143-L145 HydrophobicContact CG2-CD2 4.1Å; I143-L145 HydrophobicContact CG2-CG 4.48Å; I143-D151 HydrophobicContact CD1-CB 4.43Å; I143-F152 HydrophobicContact CD1-CB 4.11Å; I143-F152 HydrophobicContact CD1-CD2 4.46Å; I143-F152 HydrophobicContact CG1-CB 4.16Å
144	R	97	Very high	97.5	Very high	180 Å²	180	48.8 Å²	48.8	68%	0.679	25%	0.25	S	S	*	.			trans	-98.7	92.5	174.3	-60.8	-177.2	-179.6	-172.4	-0.2	110.2	E142 T147 D149	E142-R144 PolarHBondContact O-N 3.34Å; R144-T147 HydrophobicContact CB-CG2 4.13Å; R144-T147 VanDerWaalsContact CB-OG1 3.31Å; R144-T147 WeakPolarHBondContact CB-OG1 3.4Å; R144-T147 PolarHBondContact O-OG1 2.8Å; R144-D149 HydrophobicContact CB-CB 4.1Å; R144-D149 PolarHBondContact N-OD2 2.76Å; R144-D149 WeakPolarHBondContact O-CB 3.35Å
145	L	97.8	Very high	97.5	Very high	17 Å²	17	49.4 Å²	49.4	9%	0.089	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	147	178.2	-56.6	175.1	0	0	0	111.5	M130 L133 L137 L138 I143 T147 F152 Y190	M130-L145 HydrophobicContact CE-CD1 3.34Å; M130-L145 HydrophobicContact CE-CD2 4.43Å; L133-L145 HydrophobicContact CD1-CB 4.27Å; L133-L145 HydrophobicContact CD1-CD1 4.15Å; L133-L145 HydrophobicContact CD1-CD2 4.42Å; L137-L145 HydrophobicContact CB-CD2 4.09Å; L137-L145 HydrophobicContact CD1-CD2 3.99Å; L138-L145 HydrophobicContact CD2-CD1 4.04Å; I143-L145 HydrophobicContact CD1-CD2 4.38Å; I143-L145 HydrophobicContact CG1-CD2 4.48Å; I143-L145 HydrophobicContact CG2-CD2 4.1Å; I143-L145 HydrophobicContact CG2-CG 4.48Å; L145-T147 WeakPolarHBondContact O-CG2 3.37Å; L145-T147 PolarHBondContact O-N 2.8Å; L145-F152 HydrophobicContact CB-CE2 4.44Å; L145-F152 HydrophobicContact CD2-CD2 3.83Å; L145-F152 HydrophobicContact CD2-CE2 3.96Å; L145-Y190 PolarHBondContact O-OH 3.14Å; L145-Y190 VanDerWaalsContact O-OH 3.06Å
146	R	97.9	Very high	97.6	Very high	13 Å²	13	49.1 Å²	49.1	5%	0.049	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	35.3	177.1	-51.1	174.6	69.2	-167.2	1.1	113.1	Y123 L133 F152 E184 N185 Y187 Y190 Y197	Y123-R146 VanDerWaalsContact CD1-NE 3.34Å; Y123-R146 VanDerWaalsContact CE1-NH1 3.28Å; Y123-R146 HydrophobicContact CG-CG 4.37Å; L133-R146 HydrophobicContact CD1-CG 4.37Å; R146-F152 VanDerWaalsContact CA-CE1 3.46Å; R146-F152 HydrophobicContact CG-CZ 4.46Å; R146-F152 VanDerWaalsContact N-CZ 3.29Å; R146-E184 IonicContact CZ-OE1 2.76Å; R146-E184 IonicContact CZ-OE2 3.92Å; R146-E184 IonicContact NE-OE1 2.71Å; R146-E184 PolarHBondContact NE-OE1 2.82Å; R146-E184 IonicContact NE-OE2 3.72Å; R146-E184 IonicContact NH2-OE1 3.82Å; R146-E184 PolarHBondContact NH2-OE1 2.8Å; R146-E184 IonicContact NH2-OE2 3.71Å; R146-E184 PolarHBondContact NH2-OE2 3.37Å; R146-N185 PolarHBondContact NH2-O 3.3Å; R146-Y187 HydrophobicContact CB-CE2 4.14Å; R146-Y187 VanDerWaalsContact O-CE2 3.26Å; R146-Y187 WeakPolarHBondContact O-CE2 3.42Å; R146-Y187 PolarHBondContact O-OH 3.45Å; R146-Y190 HydrophobicContact CB-CD1 3.92Å; R146-Y190 HydrophobicContact CB-CE1 3.69Å; R146-Y197 HydrophobicContact CB-CE1 4.18Å; R146-Y197 WeakPolarHBondContact O-CD1 3.37Å
147	T	98.3	Very high	97.6	Very high	17 Å²	17	49.5 Å²	49.5	10%	0.104	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.1	178.6	174.1	74.2	0	0	0	0	110.5	R144 L145 D149 F152 Y190 A192	R144-T147 HydrophobicContact CB-CG2 4.13Å; R144-T147 VanDerWaalsContact CB-OG1 3.31Å; R144-T147 WeakPolarHBondContact CB-OG1 3.4Å; R144-T147 PolarHBondContact O-OG1 2.8Å; L145-T147 WeakPolarHBondContact O-CG2 3.37Å; L145-T147 PolarHBondContact O-N 2.8Å; T147-D149 PolarHBondContact O-N 3.01Å; T147-D149 VanDerWaalsContact O-N 3.11Å; T147-D149 WeakPolarHBondContact OG1-CB 3.37Å; T147-D149 PolarHBondContact OG1-N 3.06Å; T147-F152 WeakPolarHBondContact O-CD1 3.3Å; T147-Y190 HydrophobicContact CG2-CE1 4.33Å; T147-A192 HydrophobicContact CG2-CB 3.75Å
148	S	98.6	Very high	97.6	Very high	38 Å²	38	51.9 Å²	51.9	27%	0.266	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	19.5	174.4	-51.1	0	0	0	0	113.9	P150 D194 S196 Y197	S148-P150 WeakPolarHBondContact O-CD 3.32Å; S148-D194 WeakPolarHBondContact CB-OD2 3.27Å; S148-D194 PolarHBondContact N-OD2 3.47Å; S148-D194 PolarHBondContact OG-OD1 2.84Å; S148-D194 VanDerWaalsContact OG-OD1 3.1Å; S148-D194 PolarHBondContact OG-OD2 3.21Å; S148-S196 VanDerWaalsContact OG-CB 3.27Å; S148-S196 WeakPolarHBondContact OG-CB 3.41Å; S148-Y197 PolarHBondContact OG-N 3.38Å
149	D	98.5	Very high	97.7	Very high	27 Å²	27	51.8 Å²	51.8	14%	0.144	27%	0.274	C	S	.	.			trans	-51.8	122.6	170	-178	-50.8	0	0	0	109.7	R144 T147 D151 F152 L153	R144-D149 HydrophobicContact CB-CB 4.1Å; R144-D149 PolarHBondContact N-OD2 2.76Å; R144-D149 WeakPolarHBondContact O-CB 3.35Å; T147-D149 PolarHBondContact O-N 3.01Å; T147-D149 VanDerWaalsContact O-N 3.11Å; T147-D149 WeakPolarHBondContact OG1-CB 3.37Å; T147-D149 PolarHBondContact OG1-N 3.06Å; D149-D151 PolarHBondContact O-N 3.22Å; D149-D151 WeakPolarHBondContact OD1-CB 3.33Å; D149-D151 PolarHBondContact OD1-N 3.08Å; D149-F152 HydrophobicContact CB-CB 3.96Å; D149-F152 PolarHBondContact O-N 2.65Å; D149-F152 VanDerWaalsContact O-N 3.1Å; D149-F152 PolarHBondContact OD1-N 3.36Å; D149-L153 WeakPolarHBondContact O-CG 3.44Å; D149-L153 PolarHBondContact O-N 2.95Å
150	P	98.5	Very high	97.8	Very high	101 Å²	101	48.3 Å²	48.3	66%	0.656	26%	0.261	S	S	*	.	H	α-helix	trans	-57.4	-34.1	-175.2	-26.6	34.6	0	0	0	113.9	S148 A154	S148-P150 WeakPolarHBondContact O-CD 3.32Å; P150-A154 VanDerWaalsContact O-CB 3.26Å; P150-A154 WeakPolarHBondContact O-CB 3.28Å; P150-A154 PolarHBondContact O-N 2.88Å
151	D	98.2	Very high	97.9	Very high	70 Å²	70	49.3 Å²	49.3	37%	0.374	27%	0.266	S	S	.	.	H	α-helix	trans	-74.9	-36.8	180	-73.9	-40.8	0	0	0	111.6	K140 I143 D149 A155	K140-D151 HydrophobicContact CD-CB 3.92Å; K140-D151 VanDerWaalsContact CD-OD2 3.25Å; K140-D151 WeakPolarHBondContact CD-OD2 3.28Å; K140-D151 IonicContact NZ-OD1 3.29Å; K140-D151 PolarHBondContact NZ-OD1 3.01Å; K140-D151 IonicContact NZ-OD2 2.85Å; K140-D151 PolarHBondContact NZ-OD2 2.87Å; I143-D151 HydrophobicContact CD1-CB 4.43Å; D149-D151 PolarHBondContact O-N 3.22Å; D149-D151 WeakPolarHBondContact OD1-CB 3.33Å; D149-D151 PolarHBondContact OD1-N 3.08Å; D151-A155 PolarHBondContact O-N 3.11Å
152	F	98.6	Very high	98.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.6	-48	172.6	-176.4	-109.4	0	0	0	111.2	L133 L137 I143 L145 R146 T147 D149 A154 A155 V156 Y197	L133-F152 HydrophobicContact CD1-CE2 4.44Å; L133-F152 HydrophobicContact CD2-CE2 4.19Å; L133-F152 HydrophobicContact CD2-CZ 4.3Å; L137-F152 HydrophobicContact CD1-CD2 4.32Å; L137-F152 HydrophobicContact CD1-CE2 4.1Å; I143-F152 HydrophobicContact CD1-CB 4.11Å; I143-F152 HydrophobicContact CD1-CD2 4.46Å; I143-F152 HydrophobicContact CG1-CB 4.16Å; L145-F152 HydrophobicContact CB-CE2 4.44Å; L145-F152 HydrophobicContact CD2-CD2 3.83Å; L145-F152 HydrophobicContact CD2-CE2 3.96Å; R146-F152 VanDerWaalsContact CA-CE1 3.46Å; R146-F152 HydrophobicContact CG-CZ 4.46Å; R146-F152 VanDerWaalsContact N-CZ 3.29Å; T147-F152 WeakPolarHBondContact O-CD1 3.3Å; D149-F152 HydrophobicContact CB-CB 3.96Å; D149-F152 PolarHBondContact O-N 2.65Å; D149-F152 VanDerWaalsContact O-N 3.1Å; D149-F152 PolarHBondContact OD1-N 3.36Å; F152-A154 PolarHBondContact O-N 3.22Å; F152-A155 PolarHBondContact O-N 3.47Å; F152-V156 HydrophobicContact CD1-CG2 4.1Å; F152-V156 HydrophobicContact CD2-CG2 4.43Å; F152-V156 HydrophobicContact CE1-CG2 3.72Å; F152-V156 HydrophobicContact CE2-CG2 4.08Å; F152-V156 HydrophobicContact CG-CG2 4.45Å; F152-V156 HydrophobicContact CZ-CG2 3.71Å; F152-V156 VanDerWaalsContact O-CG2 3.32Å; F152-V156 WeakPolarHBondContact O-CG2 3.4Å; F152-V156 PolarHBondContact O-N 3.05Å; F152-Y197 HydrophobicContact CD1-CE2 4.34Å; F152-Y197 HydrophobicContact CE1-CD2 4.37Å; F152-Y197 AromaticContact CE1-CE2 3.64Å; F152-Y197 HydrophobicContact CE1-CE2 3.64Å; F152-Y197 AromaticContact CE1-CZ 4Å
153	L	98.8	Very high	98.4	Very high	25 Å²	25	38.9 Å²	38.9	13%	0.131	21%	0.212	C	C	.	.	H	α-helix	trans	-60.8	-42	178.1	-69	-171.8	0	0	0	112.2	D149 A155 V156 D157 Y197 H200	D149-L153 WeakPolarHBondContact O-CG 3.44Å; D149-L153 PolarHBondContact O-N 2.95Å; L153-A155 VanDerWaalsContact C-N 3.3Å; L153-A155 PolarHBondContact O-N 2.85Å; L153-V156 PolarHBondContact O-N 3.48Å; L153-D157 WeakPolarHBondContact O-CB 3.45Å; L153-D157 VanDerWaalsContact O-CG 3.32Å; L153-D157 PolarHBondContact O-N 2.84Å; L153-Y197 HydrophobicContact CD2-CD2 3.8Å; L153-Y197 HydrophobicContact CD2-CE2 4.44Å; L153-H200 HydrophobicContact CD2-CB 4.5Å
154	A	98.7	Very high	98.5	Very high	56 Å²	56	38.3 Å²	38.3	46%	0.463	21%	0.209	S	C	.	.	H	α-helix	trans	-60.8	-40	177	0	0	0	0	0	112.4	P150 F152 S158	P150-A154 VanDerWaalsContact O-CB 3.26Å; P150-A154 WeakPolarHBondContact O-CB 3.28Å; P150-A154 PolarHBondContact O-N 2.88Å; F152-A154 PolarHBondContact O-N 3.22Å; A154-S158 PolarHBondContact O-N 3.12Å; A154-S158 VanDerWaalsContact O-N 3.09Å
155	A	98.8	Very high	98.6	Very high	14 Å²	14	32.8 Å²	32.8	12%	0.116	20%	0.196	C	C	.	.	H	α-helix	trans	-67.9	-43.6	176	0	0	0	0	0	111.8	W84 W136 L137 D151 F152 L153 S158 W159	W84-A155 HydrophobicContact CH2-CB 3.73Å; W84-A155 HydrophobicContact CZ2-CB 4.15Å; W84-A155 WeakPolarHBondContact CZ2-O 3.21Å; W136-A155 HydrophobicContact CH2-CB 3.94Å; W136-A155 HydrophobicContact CZ3-CB 4.11Å; L137-A155 HydrophobicContact CD2-CB 3.58Å; D151-A155 PolarHBondContact O-N 3.11Å; F152-A155 PolarHBondContact O-N 3.47Å; L153-A155 VanDerWaalsContact C-N 3.3Å; L153-A155 PolarHBondContact O-N 2.85Å; A155-S158 PolarHBondContact O-N 3.43Å; A155-W159 PolarHBondContact O-N 3.13Å
156	V	98.9	Very high	98.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60	-44.7	175.8	166.2	0	0	0	0	111.4	W84 P122 F152 L153 S158 W159 F160 L201	W84-V156 HydrophobicContact CH2-CG2 4.14Å; W84-V156 HydrophobicContact CZ3-CG2 3.86Å; P122-V156 HydrophobicContact CB-CG2 4.2Å; P122-V156 HydrophobicContact CG-CG1 4.16Å; P122-V156 HydrophobicContact CG-CG2 3.89Å; F152-V156 HydrophobicContact CD1-CG2 4.1Å; F152-V156 HydrophobicContact CD2-CG2 4.43Å; F152-V156 HydrophobicContact CE1-CG2 3.72Å; F152-V156 HydrophobicContact CE2-CG2 4.08Å; F152-V156 HydrophobicContact CG-CG2 4.45Å; F152-V156 HydrophobicContact CZ-CG2 3.71Å; F152-V156 VanDerWaalsContact O-CG2 3.32Å; F152-V156 WeakPolarHBondContact O-CG2 3.4Å; F152-V156 PolarHBondContact O-N 3.05Å; L153-V156 PolarHBondContact O-N 3.48Å; V156-S158 VanDerWaalsContact C-N 3.35Å; V156-S158 PolarHBondContact O-N 2.98Å; V156-W159 PolarHBondContact O-N 3.04Å; V156-F160 HydrophobicContact CG1-CD2 3.61Å; V156-F160 HydrophobicContact CG1-CE2 3.73Å; V156-F160 WeakPolarHBondContact O-CD2 3.35Å; V156-F160 PolarHBondContact O-N 3.08Å; V156-L201 HydrophobicContact CG1-CD2 3.56Å
157	D	98.8	Very high	98.7	Very high	34 Å²	34	35.8 Å²	35.8	18%	0.182	21%	0.209	C	C	.	.	H	α-helix	trans	-60.3	-45.6	176.5	-79.3	4.7	0	0	0	111.5	L153 W159 F160 K161 H200 L204	L153-D157 WeakPolarHBondContact O-CB 3.45Å; L153-D157 VanDerWaalsContact O-CG 3.32Å; L153-D157 PolarHBondContact O-N 2.84Å; D157-W159 VanDerWaalsContact C-N 3.31Å; D157-W159 PolarHBondContact O-N 3.39Å; D157-F160 PolarHBondContact O-N 3.13Å; D157-K161 VanDerWaalsContact O-CB 3.28Å; D157-K161 WeakPolarHBondContact O-CB 2.95Å; D157-K161 WeakPolarHBondContact O-CD 3.35Å; D157-K161 WeakPolarHBondContact O-CG 3.4Å; D157-K161 PolarHBondContact O-N 3.41Å; D157-H200 IonicContact OD1-CD2 2.67Å; D157-H200 IonicContact OD1-CE1 2.92Å; D157-H200 PolarHBondContact OD1-CE1 3.45Å; D157-H200 IonicContact OD1-NE2 3.95Å; D157-H200 PolarHBondContact OD1-NE2 3.44Å; D157-H200 IonicContact OD2-CE1 3.48Å; D157-H200 IonicContact OD2-NE2 2.8Å; D157-L204 WeakPolarHBondContact OD1-CD2 3.33Å
158	S	98.6	Very high	98.7	Very high	56 Å²	56	39.8 Å²	39.8	39%	0.392	22%	0.223	S	C	.	.	H	α-helix	trans	-59.8	-43.6	177.3	-169.7	0	0	0	0	111.3	Y94 A154 A155 V156	Y94-S158 PolarHBondContact OH-OG 3.08Å; A154-S158 PolarHBondContact O-N 3.12Å; A154-S158 VanDerWaalsContact O-N 3.09Å; A155-S158 PolarHBondContact O-N 3.43Å; V156-S158 VanDerWaalsContact C-N 3.35Å; V156-S158 PolarHBondContact O-N 2.98Å
159	W	98.9	Very high	98.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-51.5	178.7	167.9	-127.9	0	0	0	112.5	V82 W84 H87 Y94 F96 A155 V156 D157 K161 V162 L163	V82-W159 HydrophobicContact CG1-CZ2 4.02Å; W84-W159 HydrophobicContact CB-CD2 4.41Å; W84-W159 HydrophobicContact CB-CZ2 4.33Å; W84-W159 AromaticContact CD1-CD1 3.94Å; W84-W159 AromaticContact CD1-CD2 3.34Å; W84-W159 AromaticContact CD1-CE2 3.7Å; W84-W159 AromaticContact CD1-CE3 3.69Å; W84-W159 AromaticContact CD1-CG 3.52Å; W84-W159 HydrophobicContact CD2-CB 4.08Å; W84-W159 AromaticContact CD2-CD1 3.74Å; W84-W159 HydrophobicContact CD2-CD2 4.38Å; W84-W159 AromaticContact CD2-CG 3.79Å; W84-W159 HydrophobicContact CD2-CG 3.79Å; W84-W159 AromaticContact CE2-CG 3.67Å; W84-W159 HydrophobicContact CG-CB 4.46Å; W84-W159 AromaticContact CG-CD1 3.71Å; W84-W159 AromaticContact CG-CD2 3.85Å; W84-W159 HydrophobicContact CG-CD2 3.85Å; W84-W159 AromaticContact CG-CE2 3.85Å; W84-W159 AromaticContact CG-CG 3.75Å; W84-W159 HydrophobicContact CG-CG 3.75Å; W84-W159 AromaticContact CG-NE1 3.75Å; W84-W159 HydrophobicContact CH2-CB 4.38Å; W84-W159 HydrophobicContact CZ2-CB 3.68Å; W84-W159 HydrophobicContact CZ2-CG 4.31Å; W84-W159 AromaticContact NE1-CD2 3.69Å; W84-W159 AromaticContact NE1-CE3 3.97Å; W84-W159 AromaticContact NE1-CG 3.5Å; H87-W159 HydrophobicContact CB-CH2 3.34Å; H87-W159 HydrophobicContact CB-CZ2 4.3Å; H87-W159 HydrophobicContact CB-CZ3 3.72Å; H87-W159 AromaticContact CG-CH2 3.9Å; Y94-W159 HydrophobicContact CD1-CE3 4.19Å; Y94-W159 HydrophobicContact CD1-CZ3 4.04Å; Y94-W159 AromaticContact CE1-CE3 3.92Å; Y94-W159 HydrophobicContact CE1-CE3 3.92Å; Y94-W159 HydrophobicContact CE1-CZ3 4.25Å; F96-W159 HydrophobicContact CE1-CH2 4.35Å; F96-W159 HydrophobicContact CE2-CZ3 4.39Å; F96-W159 AromaticContact CZ-CH2 3.71Å; F96-W159 HydrophobicContact CZ-CH2 3.71Å; F96-W159 AromaticContact CZ-CZ3 3.86Å; F96-W159 HydrophobicContact CZ-CZ3 3.86Å; A155-W159 PolarHBondContact O-N 3.13Å; V156-W159 PolarHBondContact O-N 3.04Å; D157-W159 VanDerWaalsContact C-N 3.31Å; D157-W159 PolarHBondContact O-N 3.39Å; W159-K161 VanDerWaalsContact C-N 3.34Å; W159-K161 PolarHBondContact O-N 2.99Å; W159-V162 WeakPolarHBondContact O-CA 3.44Å; W159-V162 WeakPolarHBondContact O-CB 3.31Å; W159-V162 PolarHBondContact O-N 3.05Å; W159-L163 HydrophobicContact CD2-CB 4.39Å; W159-L163 HydrophobicContact CH2-CB 4.03Å; W159-L163 HydrophobicContact CH2-CD1 4.13Å; W159-L163 HydrophobicContact CH2-CD2 4.39Å; W159-L163 HydrophobicContact CH2-CG 4.4Å; W159-L163 HydrophobicContact CZ2-CB 3.92Å; W159-L163 HydrophobicContact CZ2-CD1 4.16Å; W159-L163 HydrophobicContact CZ2-CD2 3.64Å; W159-L163 HydrophobicContact CZ2-CG 4.1Å; W159-L163 HydrophobicContact CZ3-CB 4.33Å; W159-L163 PolarHBondContact O-N 3.12Å
160	F	98.9	Very high	98.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-71.9	-27	-176.5	-77.6	-55.3	0	0	0	113.4	P120 P122 V156 D157 V162 L163 L164 P165 L201 L204 F205	P120-F160 HydrophobicContact CB-CE1 4.18Å; P120-F160 HydrophobicContact CG-CE1 4.43Å; P122-F160 HydrophobicContact CB-CE2 3.77Å; P122-F160 HydrophobicContact CB-CZ 3.91Å; P122-F160 HydrophobicContact CG-CE2 3.94Å; P122-F160 HydrophobicContact CG-CZ 4.33Å; V156-F160 HydrophobicContact CG1-CD2 3.61Å; V156-F160 HydrophobicContact CG1-CE2 3.73Å; V156-F160 WeakPolarHBondContact O-CD2 3.35Å; V156-F160 PolarHBondContact O-N 3.08Å; D157-F160 PolarHBondContact O-N 3.13Å; F160-V162 PolarHBondContact O-N 3.24Å; F160-L163 HydrophobicContact CD1-CB 4.48Å; F160-L163 HydrophobicContact CD1-CD2 4.19Å; F160-L163 HydrophobicContact CE1-CD2 4.08Å; F160-L163 PolarHBondContact O-N 3.25Å; F160-L164 HydrophobicContact CB-CD1 3.99Å; F160-L164 HydrophobicContact CB-CG 3.95Å; F160-L164 HydrophobicContact CD1-CD1 4.13Å; F160-L164 HydrophobicContact CD1-CD2 3.73Å; F160-L164 HydrophobicContact CD1-CG 3.75Å; F160-L164 HydrophobicContact CE1-CD2 4.27Å; F160-L164 HydrophobicContact CG-CD1 4.27Å; F160-L164 HydrophobicContact CG-CG 4.21Å; F160-L164 WeakPolarHBondContact O-CB 3.19Å; F160-L164 WeakPolarHBondContact O-CG 3.41Å; F160-L164 PolarHBondContact O-N 3.26Å; F160-P165 WeakPolarHBondContact O-CD 3.48Å; F160-L201 HydrophobicContact CE2-CD2 4.05Å; F160-L204 HydrophobicContact CB-CD2 3.74Å; F160-L204 HydrophobicContact CB-CG 4.38Å; F160-L204 HydrophobicContact CD2-CD2 3.86Å; F160-L204 HydrophobicContact CG-CD2 4.21Å; F160-F205 AromaticContact CD1-CE2 3.98Å; F160-F205 HydrophobicContact CD1-CE2 3.98Å; F160-F205 HydrophobicContact CD1-CZ 4.13Å; F160-F205 HydrophobicContact CD2-CE2 4.02Å; F160-F205 AromaticContact CE1-CE2 3.76Å; F160-F205 HydrophobicContact CE1-CE2 3.76Å; F160-F205 AromaticContact CE1-CZ 3.59Å; F160-F205 HydrophobicContact CE1-CZ 3.59Å; F160-F205 AromaticContact CE2-CE2 3.79Å; F160-F205 HydrophobicContact CE2-CE2 3.79Å; F160-F205 HydrophobicContact CE2-CZ 4.28Å; F160-F205 HydrophobicContact CG-CE2 4.11Å; F160-F205 AromaticContact CZ-CE2 3.66Å; F160-F205 HydrophobicContact CZ-CE2 3.66Å; F160-F205 AromaticContact CZ-CZ 3.67Å; F160-F205 HydrophobicContact CZ-CZ 3.67Å
161	K	98.8	Very high	98.7	Very high	123 Å²	123	37.6 Å²	37.6	54%	0.535	20%	0.203	S	C	.	.	H	α-helix	trans	-63.2	-15.8	168.2	-75.9	169.1	-175.6	166.4	0	113.1	D157 W159 P165 L208	D157-K161 VanDerWaalsContact O-CB 3.28Å; D157-K161 WeakPolarHBondContact O-CB 2.95Å; D157-K161 WeakPolarHBondContact O-CD 3.35Å; D157-K161 WeakPolarHBondContact O-CG 3.4Å; D157-K161 PolarHBondContact O-N 3.41Å; W159-K161 VanDerWaalsContact C-N 3.34Å; W159-K161 PolarHBondContact O-N 2.99Å; K161-P165 WeakPolarHBondContact O-CG 3.42Å; K161-L208 HydrophobicContact CG-CD1 4.27Å
162	V	98.8	Very high	98.7	Very high	34 Å²	34	35.2 Å²	35.2	21%	0.206	19%	0.189	C	C	.	.	H	α-helix	trans	-97	-47.8	171.2	176.6	0	0	0	0	111.6	Y94 F96 W159 F160 K166	Y94-V162 HydrophobicContact CD1-CB 4.44Å; Y94-V162 HydrophobicContact CD1-CG1 3.99Å; Y94-V162 HydrophobicContact CD2-CG1 4.22Å; Y94-V162 HydrophobicContact CD2-CG2 4.21Å; Y94-V162 HydrophobicContact CE1-CB 4.2Å; Y94-V162 HydrophobicContact CE1-CG1 4.25Å; Y94-V162 HydrophobicContact CE1-CG2 4.04Å; Y94-V162 HydrophobicContact CE2-CG1 4.48Å; Y94-V162 HydrophobicContact CE2-CG2 3.69Å; Y94-V162 HydrophobicContact CG-CG1 3.98Å; F96-V162 HydrophobicContact CE2-CG1 4.19Å; W159-V162 WeakPolarHBondContact O-CA 3.44Å; W159-V162 WeakPolarHBondContact O-CB 3.31Å; W159-V162 PolarHBondContact O-N 3.05Å; F160-V162 PolarHBondContact O-N 3.24Å; V162-K166 WeakPolarHBondContact O-CG 3.33Å
163	L	98.8	Very high	98.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-70.7	-50.4	-174.8	179.3	66.5	0	0	0	112.8	V82 F96 L102 P120 W159 F160 K166 I167	V82-L163 HydrophobicContact CB-CD2 4.33Å; V82-L163 HydrophobicContact CG1-CD1 3.98Å; V82-L163 HydrophobicContact CG1-CD2 4.01Å; F96-L163 HydrophobicContact CE1-CD1 4.12Å; F96-L163 HydrophobicContact CZ-CD1 4.25Å; L102-L163 HydrophobicContact CD2-CD1 3.62Å; P120-L163 HydrophobicContact CB-CD2 3.64Å; W159-L163 HydrophobicContact CD2-CB 4.39Å; W159-L163 HydrophobicContact CH2-CB 4.03Å; W159-L163 HydrophobicContact CH2-CD1 4.13Å; W159-L163 HydrophobicContact CH2-CD2 4.39Å; W159-L163 HydrophobicContact CH2-CG 4.4Å; W159-L163 HydrophobicContact CZ2-CB 3.92Å; W159-L163 HydrophobicContact CZ2-CD1 4.16Å; W159-L163 HydrophobicContact CZ2-CD2 3.64Å; W159-L163 HydrophobicContact CZ2-CG 4.1Å; W159-L163 HydrophobicContact CZ3-CB 4.33Å; W159-L163 PolarHBondContact O-N 3.12Å; F160-L163 HydrophobicContact CD1-CB 4.48Å; F160-L163 HydrophobicContact CD1-CD2 4.19Å; F160-L163 HydrophobicContact CE1-CD2 4.08Å; F160-L163 PolarHBondContact O-N 3.25Å; L163-K166 WeakPolarHBondContact O-CB 3.46Å; L163-K166 PolarHBondContact O-N 3.02Å; L163-I167 HydrophobicContact CD1-CG2 4.39Å; L163-I167 PolarHBondContact O-N 3.31Å
164	L	98.8	Very high	98.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64	-42.5	-170.1	-59.5	-170.4	0	0	0	112.6	F160 K166 I167 Y168 F205 L208 L209	F160-L164 HydrophobicContact CB-CD1 3.99Å; F160-L164 HydrophobicContact CB-CG 3.95Å; F160-L164 HydrophobicContact CD1-CD1 4.13Å; F160-L164 HydrophobicContact CD1-CD2 3.73Å; F160-L164 HydrophobicContact CD1-CG 3.75Å; F160-L164 HydrophobicContact CE1-CD2 4.27Å; F160-L164 HydrophobicContact CG-CD1 4.27Å; F160-L164 HydrophobicContact CG-CG 4.21Å; F160-L164 WeakPolarHBondContact O-CB 3.19Å; F160-L164 WeakPolarHBondContact O-CG 3.41Å; F160-L164 PolarHBondContact O-N 3.26Å; L164-K166 PolarHBondContact O-N 3.44Å; L164-I167 HydrophobicContact CD2-CD1 3.83Å; L164-I167 HydrophobicContact CD2-CG1 4.45Å; L164-I167 WeakPolarHBondContact O-CG1 3.34Å; L164-I167 PolarHBondContact O-N 3.07Å; L164-Y168 PolarHBondContact O-N 3.37Å; L164-F205 HydrophobicContact CD1-CB 4.47Å; L164-F205 HydrophobicContact CD1-CD1 4.37Å; L164-F205 HydrophobicContact CD1-CD2 3.74Å; L164-F205 HydrophobicContact CD1-CE2 4.04Å; L164-F205 HydrophobicContact CD1-CG 3.93Å; L164-F205 HydrophobicContact CD1-CZ 4.49Å; L164-F205 HydrophobicContact CD2-CE1 4.25Å; L164-F205 HydrophobicContact CD2-CZ 4.27Å; L164-L208 HydrophobicContact CB-CB 4.02Å; L164-L208 HydrophobicContact CB-CD1 4.16Å; L164-L208 HydrophobicContact CD1-CB 4.05Å; L164-L208 HydrophobicContact CD1-CD1 3.94Å; L164-L208 HydrophobicContact CG-CD1 4.44Å; L164-L209 HydrophobicContact CB-CD2 3.88Å; L164-L209 HydrophobicContact CB-CG 4.32Å; L164-L209 HydrophobicContact CD1-CD1 4.44Å; L164-L209 HydrophobicContact CD1-CG 4.33Å; L164-L209 HydrophobicContact CD2-CD1 4.29Å
165	P	98.6	Very high	98.5	Very high	63 Å²	63	38.4 Å²	38.4	41%	0.409	21%	0.208	S	C	.	.	H	α-helix	trans	-61.4	-29.2	173.2	-27.4	38.1	0	0	0	114.2	F160 K161 P169	F160-P165 WeakPolarHBondContact O-CD 3.48Å; K161-P165 WeakPolarHBondContact O-CG 3.42Å; P165-P169 WeakPolarHBondContact O-CD 3.27Å
166	K	98.4	Very high	98.4	Very high	93 Å²	93	38.2 Å²	38.2	40%	0.404	21%	0.207	S	C	.	.	H	α-helix	trans	-70.5	-34.9	176.9	-71.5	176.7	179.4	-61.6	0	112.5	F96 I103 V162 L163 L164	F96-K166 HydrophobicContact CD2-CD 4.18Å; F96-K166 HydrophobicContact CE1-CD 4.36Å; F96-K166 HydrophobicContact CE2-CD 3.92Å; F96-K166 HydrophobicContact CZ-CD 4.01Å; I103-K166 HydrophobicContact CD1-CB 4.43Å; V162-K166 WeakPolarHBondContact O-CG 3.33Å; L163-K166 WeakPolarHBondContact O-CB 3.46Å; L163-K166 PolarHBondContact O-N 3.02Å; L164-K166 PolarHBondContact O-N 3.44Å
167	I	98.4	Very high	98.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-90.1	-13.8	179.2	65.3	167.8	0	0	0	112.9	L102 L106 L118 L163 L164 W170 L171 I178 I181 L209	L102-I167 HydrophobicContact CD2-CG2 3.91Å; L106-I167 HydrophobicContact CD1-CG2 4.46Å; L118-I167 HydrophobicContact CD2-CB 4.48Å; L118-I167 HydrophobicContact CD2-CD1 3.39Å; L118-I167 HydrophobicContact CD2-CG2 4.2Å; L163-I167 HydrophobicContact CD1-CG2 4.39Å; L163-I167 PolarHBondContact O-N 3.31Å; L164-I167 HydrophobicContact CD2-CD1 3.83Å; L164-I167 HydrophobicContact CD2-CG1 4.45Å; L164-I167 WeakPolarHBondContact O-CG1 3.34Å; L164-I167 PolarHBondContact O-N 3.07Å; I167-W170 WeakPolarHBondContact O-CA 3.49Å; I167-W170 WeakPolarHBondContact O-CB 3.34Å; I167-W170 PolarHBondContact O-N 2.75Å; I167-L171 PolarHBondContact O-N 2.97Å; I167-I178 HydrophobicContact CB-CD1 4.04Å; I167-I181 HydrophobicContact CD1-CD1 3.96Å; I167-L209 HydrophobicContact CG1-CD2 4.36Å
168	Y	98.7	Very high	98.4	Very high	101 Å²	101	37 Å²	37	40%	0.396	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-52.7	-43.9	-179.9	-179.4	-91.9	0	0	0	114.2	L164 W170 L171 N174 L209	L164-Y168 PolarHBondContact O-N 3.37Å; Y168-W170 PolarHBondContact O-N 3.33Å; Y168-L171 HydrophobicContact CD2-CD1 3.96Å; Y168-L171 HydrophobicContact CE2-CD1 4.32Å; Y168-L171 VanDerWaalsContact O-CG 3.3Å; Y168-L171 WeakPolarHBondContact O-CG 3.39Å; Y168-L171 PolarHBondContact O-N 3.23Å; Y168-N174 WeakPolarHBondContact CE1-ND2 3.46Å; Y168-N174 PolarHBondContact O-ND2 3.24Å; Y168-L209 HydrophobicContact CD2-CD2 4.19Å
169	P	98.4	Very high	98.4	Very high	74 Å²	74	34.3 Å²	34.3	48%	0.481	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-66.5	-18.7	175.2	-19.9	34	0	0	0	113.4	P165	P165-P169 WeakPolarHBondContact O-CD 3.27Å
170	W	98.6	Very high	98.4	Very high	47 Å²	47	34.4 Å²	34.4	18%	0.178	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-91.1	-2.7	-177.2	-66.1	86.3	0	0	0	113.4	I103 L106 N107 I167 Y168 G176 N177 I178	I103-W170 HydrophobicContact CG2-CZ2 3.51Å; L106-W170 HydrophobicContact CB-CD2 3.92Å; L106-W170 HydrophobicContact CB-CE3 3.6Å; L106-W170 HydrophobicContact CB-CH2 4.44Å; L106-W170 HydrophobicContact CB-CZ3 3.88Å; L106-W170 HydrophobicContact CD1-CB 3.92Å; L106-W170 HydrophobicContact CD1-CD2 3.97Å; L106-W170 HydrophobicContact CD1-CE3 4.4Å; L106-W170 HydrophobicContact CD1-CG 3.72Å; N107-W170 HydrophobicContact CB-CH2 3.68Å; N107-W170 HydrophobicContact CB-CZ3 4.29Å; I167-W170 WeakPolarHBondContact O-CA 3.49Å; I167-W170 WeakPolarHBondContact O-CB 3.34Å; I167-W170 PolarHBondContact O-N 2.75Å; Y168-W170 PolarHBondContact O-N 3.33Å; W170-G176 CarbonylContact O-C 3.54Å; W170-G176 VanDerWaalsContact O-CA 3.27Å; W170-G176 WeakPolarHBondContact O-CA 3.4Å; W170-N177 PolarHBondContact O-N 2.99Å; W170-I178 HydrophobicContact CB-CD1 3.63Å; W170-I178 HydrophobicContact CB-CG1 4.2Å; W170-I178 WeakPolarHBondContact O-CB 3.4Å; W170-I178 WeakPolarHBondContact O-CG1 3.41Å; W170-I178 PolarHBondContact O-N 3.15Å
171	L	98.8	Very high	98.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-61.8	140.8	170.6	-55.6	-178.9	0	0	0	109.9	I167 Y168 H173 N174 G175 G176 I178 I181 L209 I213	I167-L171 PolarHBondContact O-N 2.97Å; Y168-L171 HydrophobicContact CD2-CD1 3.96Å; Y168-L171 HydrophobicContact CE2-CD1 4.32Å; Y168-L171 VanDerWaalsContact O-CG 3.3Å; Y168-L171 WeakPolarHBondContact O-CG 3.39Å; Y168-L171 PolarHBondContact O-N 3.23Å; L171-H173 VanDerWaalsContact C-N 3.29Å; L171-H173 PolarHBondContact O-N 2.94Å; L171-N174 HydrophobicContact CB-CB 4.28Å; L171-N174 CarbonylContact O-C 3.54Å; L171-N174 WeakPolarHBondContact O-CA 3.31Å; L171-N174 WeakPolarHBondContact O-CB 3.24Å; L171-N174 PolarHBondContact O-N 3.39Å; L171-G175 PolarHBondContact O-N 3.41Å; L171-G176 PolarHBondContact O-N 3.17Å; L171-I178 HydrophobicContact CD2-CB 4.35Å; L171-I178 HydrophobicContact CD2-CG2 4.23Å; L171-I181 HydrophobicContact CD2-CD1 3.78Å; L171-L209 HydrophobicContact CD1-CB 4.2Å; L171-L209 HydrophobicContact CD1-CD2 4.31Å; L171-I213 HydrophobicContact CD1-CB 4.41Å; L171-I213 HydrophobicContact CD2-CD1 4.03Å; L171-I213 HydrophobicContact CD2-CG1 4.06Å
172	Y	98.6	Very high	98.5	Very high	19 Å²	19	28.6 Å²	28.6	8%	0.075	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-57.2	-42.9	-173.6	-173	-97.8	0	0	0	112.7	R28 F30 L41 D42 L115 N174 G175 I178 I179	R28-Y172 HydrophobicContact CB-CD1 4.14Å; R28-Y172 HydrophobicContact CB-CE1 3.93Å; R28-Y172 PolarHBondContact NE-O 3.35Å; F30-Y172 HydrophobicContact CB-CD1 4.48Å; L41-Y172 HydrophobicContact CD1-CD1 4.19Å; L41-Y172 HydrophobicContact CD1-CE1 3.53Å; L41-Y172 HydrophobicContact CD1-CE2 3.98Å; L41-Y172 VanDerWaalsContact CD1-CZ 3.42Å; L41-Y172 HydrophobicContact CG-CE1 4.34Å; D42-Y172 WeakPolarHBondContact OD1-CE1 3.35Å; D42-Y172 PolarHBondContact OD2-OH 2.97Å; L115-Y172 HydrophobicContact CD2-CD2 3.78Å; L115-Y172 HydrophobicContact CD2-CE2 3.55Å; Y172-N174 PolarHBondContact O-N 3.28Å; Y172-G175 PolarHBondContact O-N 3.43Å; Y172-G175 VanDerWaalsContact O-N 3.14Å; Y172-I178 VanDerWaalsContact CB-O 3.26Å; Y172-I178 WeakPolarHBondContact CB-O 3.38Å; Y172-I178 PolarHBondContact N-O 3.4Å; Y172-I179 HydrophobicContact CD2-CG2 3.82Å; Y172-I179 HydrophobicContact CE2-CG2 4.49Å; Y172-I179 HydrophobicContact CG-CG2 3.9Å
173	H	97.4	Very high	98.5	Very high	40 Å²	40	27 Å²	27	19%	0.185	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-72	-9.5	177.2	63.6	-97.9	0	0	0	114.2	R28 L171	R28-H173 WeakPolarHBondContact O-CA 3.47Å; R28-H173 VanDerWaalsContact O-CB 3.3Å; R28-H173 WeakPolarHBondContact O-CB 3.13Å; L171-H173 VanDerWaalsContact C-N 3.29Å; L171-H173 PolarHBondContact O-N 2.94Å
174	N	97.4	Very high	98.5	Very high	62 Å²	62	27.1 Å²	27.1	33%	0.332	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-102.3	4.8	173.5	-68.5	-21.5	0	0	0	112.6	Y168 L171 Y172	Y168-N174 WeakPolarHBondContact CE1-ND2 3.46Å; Y168-N174 PolarHBondContact O-ND2 3.24Å; L171-N174 HydrophobicContact CB-CB 4.28Å; L171-N174 CarbonylContact O-C 3.54Å; L171-N174 WeakPolarHBondContact O-CA 3.31Å; L171-N174 WeakPolarHBondContact O-CB 3.24Å; L171-N174 PolarHBondContact O-N 3.39Å; Y172-N174 PolarHBondContact O-N 3.28Å
175	G	96.7	Very high	98.5	Very high	47 Å²	47	27.1 Å²	27.1	49%	0.485	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	104.2	-7.4	178.8	0	0	0	0	0	115.1	R28 L171 Y172	R28-G175 VanDerWaalsContact NH1-CA 3.3Å; R28-G175 PolarHBondContact NH1-O 3.35Å; L171-G175 PolarHBondContact O-N 3.41Å; Y172-G175 PolarHBondContact O-N 3.43Å; Y172-G175 VanDerWaalsContact O-N 3.14Å
176	G	98.1	Very high	98.4	Very high	9 Å²	9	24.4 Å²	24.4	9%	0.093	13%	0.13	C	C	.	.	S	Bend	trans	-87.1	-158.3	177.2	0	0	0	0	0	114.4	R28 W170 L171	R28-G176 PolarHBondContact NH2-O 2.87Å; W170-G176 CarbonylContact O-C 3.54Å; W170-G176 VanDerWaalsContact O-CA 3.27Å; W170-G176 WeakPolarHBondContact O-CA 3.4Å; L171-G176 PolarHBondContact O-N 3.17Å
177	N	98.6	Very high	98.4	Very high	8 Å²	8	20 Å²	20	4%	0.043	11%	0.111	C	C	.	.	S	Bend	trans	-118	3.1	-176.6	59.9	-18.8	0	0	0	114.6	L106 A110 L114 L115 V116 W170 I179	L106-N177 PolarHBondContact O-ND2 3.1Å; L106-N177 VanDerWaalsContact O-ND2 3.17Å; A110-N177 PolarHBondContact N-ND2 3.4Å; L114-N177 PolarHBondContact O-ND2 2.93Å; L115-N177 CarbonylContact C-O 3.43Å; V116-N177 WeakPolarHBondContact CG2-ND2 3.38Å; V116-N177 PolarHBondContact N-O 2.88Å; W170-N177 PolarHBondContact O-N 2.99Å; N177-I179 PolarHBondContact O-N 3.4Å
178	I	98.9	Very high	98.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	110.8	179.1	-56.8	168.5	0	0	0	110.5	L106 V116 L118 I167 W170 L171 Y172 I181	L106-I178 HydrophobicContact CD1-CD1 4.1Å; L106-I178 HydrophobicContact CD2-CD1 4.04Å; L106-I178 HydrophobicContact CD2-CG1 3.92Å; V116-I178 HydrophobicContact CB-CG1 4.07Å; V116-I178 HydrophobicContact CG1-CG1 3.96Å; V116-I178 WeakPolarHBondContact O-CA 3.48Å; L118-I178 HydrophobicContact CB-CG2 4.12Å; L118-I178 HydrophobicContact CD2-CD1 4.2Å; I167-I178 HydrophobicContact CB-CD1 4.04Å; W170-I178 HydrophobicContact CB-CD1 3.63Å; W170-I178 HydrophobicContact CB-CG1 4.2Å; W170-I178 WeakPolarHBondContact O-CB 3.4Å; W170-I178 WeakPolarHBondContact O-CG1 3.41Å; W170-I178 PolarHBondContact O-N 3.15Å; L171-I178 HydrophobicContact CD2-CB 4.35Å; L171-I178 HydrophobicContact CD2-CG2 4.23Å; Y172-I178 VanDerWaalsContact CB-O 3.26Å; Y172-I178 WeakPolarHBondContact CB-O 3.38Å; Y172-I178 PolarHBondContact N-O 3.4Å; I178-I181 HydrophobicContact CG2-CD1 4.12Å; I178-I181 HydrophobicContact CG2-CG1 3.73Å
179	I	98.9	Very high	98.2	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-30.3	-177.8	53.3	167.8	0	0	0	113.2	F30 L41 F46 L115 V116 I117 Y172 N177 I213	F30-I179 HydrophobicContact CB-CB 4.27Å; F30-I179 HydrophobicContact CB-CG2 4.31Å; F30-I179 HydrophobicContact CD1-CB 3.85Å; F30-I179 WeakPolarHBondContact CD1-O 3.47Å; F30-I179 HydrophobicContact CD2-CB 4.11Å; F30-I179 HydrophobicContact CD2-CG2 4.2Å; F30-I179 HydrophobicContact CE1-CB 4.16Å; F30-I179 HydrophobicContact CE1-CD1 4.37Å; F30-I179 HydrophobicContact CE2-CB 4.39Å; F30-I179 HydrophobicContact CE2-CD1 4.05Å; F30-I179 HydrophobicContact CG-CB 3.8Å; F30-I179 HydrophobicContact CG-CG2 4.15Å; F30-I179 HydrophobicContact CZ-CB 4.42Å; F30-I179 HydrophobicContact CZ-CD1 3.95Å; L41-I179 HydrophobicContact CD1-CG2 4.3Å; F46-I179 HydrophobicContact CE1-CD1 4.41Å; L115-I179 HydrophobicContact CB-CD1 4.05Å; L115-I179 HydrophobicContact CB-CG1 4.29Å; L115-I179 HydrophobicContact CB-CG2 4.2Å; L115-I179 HydrophobicContact CD1-CD1 4.23Å; L115-I179 HydrophobicContact CD1-CG2 4.16Å; L115-I179 HydrophobicContact CD2-CG2 3.87Å; L115-I179 HydrophobicContact CG-CG2 4.29Å; V116-I179 WeakPolarHBondContact O-CG1 3.4Å; V116-I179 PolarHBondContact O-N 3.35Å; I117-I179 HydrophobicContact CG1-CD1 4.29Å; I117-I179 HydrophobicContact CG1-CG1 4.32Å; Y172-I179 HydrophobicContact CD2-CG2 3.82Å; Y172-I179 HydrophobicContact CE2-CG2 4.49Å; Y172-I179 HydrophobicContact CG-CG2 3.9Å; N177-I179 PolarHBondContact O-N 3.4Å; I179-I213 WeakPolarHBondContact O-CD1 3.48Å
180	S	98.9	Very high	98	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.014	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	155.9	178.7	62.6	0	0	0	0	111.6	L118 L214	L118-S180 PolarHBondContact N-O 3.1Å; S180-L214 VanDerWaalsContact CA-O 3.32Å; S180-L214 WeakPolarHBondContact CA-O 3.38Å
181	I	98.9	Very high	97.7	Very high	0 Å²	0	16 Å²	16	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	127.2	-178.2	-56.7	-177.8	0	0	0	109.9	L118 P120 I167 L171 I178 F205 L209 I213 L214 L215 F216	L118-I181 HydrophobicContact CB-CG1 4.25Å; L118-I181 CarbonylContact O-C 3.5Å; L118-I181 VanDerWaalsContact O-CA 3.26Å; L118-I181 WeakPolarHBondContact O-CA 3.27Å; P120-I181 HydrophobicContact CG-CG2 3.65Å; I167-I181 HydrophobicContact CD1-CD1 3.96Å; L171-I181 HydrophobicContact CD2-CD1 3.78Å; I178-I181 HydrophobicContact CG2-CD1 4.12Å; I178-I181 HydrophobicContact CG2-CG1 3.73Å; I181-F205 HydrophobicContact CG2-CD1 4.03Å; I181-F205 HydrophobicContact CG2-CE1 3.62Å; I181-L209 HydrophobicContact CD1-CD1 3.57Å; I181-I213 HydrophobicContact CD1-CG1 3.94Å; I181-I213 HydrophobicContact CG1-CD1 4.35Å; I181-I213 HydrophobicContact CG1-CG1 3.93Å; I181-L214 PolarHBondContact N-O 2.8Å; I181-L215 HydrophobicContact CB-CD2 3.9Å; I181-L215 HydrophobicContact CG2-CD2 4.42Å; I181-L215 VanDerWaalsContact O-CA 3.29Å; I181-L215 WeakPolarHBondContact O-CA 3.33Å; I181-F216 VanDerWaalsContact C-CD1 3.42Å; I181-F216 VanDerWaalsContact C-CE1 3.43Å; I181-F216 VanDerWaalsContact O-CD1 3.3Å; I181-F216 WeakPolarHBondContact O-CD1 3.5Å; I181-F216 PolarHBondContact O-N 2.93Å
182	Q	98.9	Very high	97.5	Very high	0 Å²	0	18 Å²	18	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	140.2	173.9	-162.9	175.6	-68.6	0	0	111.1	L118 R119 P120 E184 F216 T218	L118-Q182 PolarHBondContact O-N 3.43Å; R119-Q182 HydrophobicContact CB-CB 4.25Å; R119-Q182 HydrophobicContact CG-CB 3.76Å; R119-Q182 VanDerWaalsContact CZ-CD 3.48Å; R119-Q182 VanDerWaalsContact CZ-NE2 3.25Å; R119-Q182 VanDerWaalsContact NE-NE2 3.14Å; P120-Q182 WeakPolarHBondContact CD-O 3.48Å; Q182-E184 PolarHBondContact NE2-O 2.68Å; Q182-F216 CarbonylContact C-O 3.52Å; Q182-F216 VanDerWaalsContact CA-O 3.28Å; Q182-F216 WeakPolarHBondContact CA-O 3.4Å; Q182-F216 HydrophobicContact CB-CD1 4.25Å; Q182-F216 HydrophobicContact CB-CD2 4.36Å; Q182-F216 HydrophobicContact CB-CE1 3.76Å; Q182-F216 HydrophobicContact CB-CE2 3.89Å; Q182-F216 HydrophobicContact CB-CZ 3.58Å; Q182-F216 HydrophobicContact CG-CD2 4.09Å; Q182-F216 HydrophobicContact CG-CE2 3.83Å; Q182-F216 HydrophobicContact CG-CZ 4.06Å; Q182-F216 WeakPolarHBondContact CG-O 3.19Å; Q182-F216 VanDerWaalsContact N-CE1 3.26Å; Q182-F216 VanDerWaalsContact OE1-CE2 3.27Å; Q182-T218 PolarHBondContact OE1-OG1 3.06Å
183	V	98.9	Very high	97.4	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.006	14%	0.141	C	C	.	.			trans	-103.6	123.6	170.7	-178.3	0	0	0	0	108.1	L201 F205 L215 F216 L232	V183-L201 HydrophobicContact CG1-CB 3.57Å; V183-L201 HydrophobicContact CG1-CD1 4.12Å; V183-F205 HydrophobicContact CG2-CD1 4.04Å; V183-F205 HydrophobicContact CG2-CE1 4.27Å; V183-F205 HydrophobicContact CG2-CG 4.36Å; V183-L215 HydrophobicContact CG2-CB 4.1Å; V183-L215 HydrophobicContact CG2-CD1 4.26Å; V183-L215 HydrophobicContact CG2-CD2 4.41Å; V183-L215 HydrophobicContact CG2-CG 4.5Å; V183-F216 PolarHBondContact N-O 3.08Å; V183-L232 HydrophobicContact CB-CD1 3.91Å; V183-L232 HydrophobicContact CG1-CD1 4.19Å; V183-L232 HydrophobicContact CG2-CD1 4.16Å; V183-L232 HydrophobicContact CG2-CD2 4.2Å
184	E	98.7	Very high	97.5	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.009	14%	0.141	C	C	.	.	S	Bend	trans	60.5	-164.7	-173.4	-123.6	-79.6	162.2	0	0	112.4	G121 R146 Q182 Y187 Y197 M198 L201	G121-E184 PolarHBondContact O-N 3.23Å; G121-E184 VanDerWaalsContact O-N 3.15Å; R146-E184 IonicContact CZ-OE1 2.76Å; R146-E184 IonicContact CZ-OE2 3.92Å; R146-E184 IonicContact NE-OE1 2.71Å; R146-E184 PolarHBondContact NE-OE1 2.82Å; R146-E184 IonicContact NE-OE2 3.72Å; R146-E184 IonicContact NH2-OE1 3.82Å; R146-E184 PolarHBondContact NH2-OE1 2.8Å; R146-E184 IonicContact NH2-OE2 3.71Å; R146-E184 PolarHBondContact NH2-OE2 3.37Å; Q182-E184 PolarHBondContact NE2-O 2.68Å; E184-Y187 HydrophobicContact CG-CD2 4.15Å; E184-Y187 WeakPolarHBondContact OE2-CB 3.43Å; E184-Y197 HydrophobicContact CG-CE1 3.65Å; E184-Y197 WeakPolarHBondContact CG-OH 3.45Å; E184-Y197 PolarHBondContact OE1-OH 2.82Å; E184-Y197 VanDerWaalsContact OE1-OH 3.09Å; E184-M198 HydrophobicContact CB-CE 3.91Å; E184-M198 HydrophobicContact CB-SD 3.7Å; E184-M198 HydrophobicContact CG-SD 3.74Å; E184-L201 HydrophobicContact CB-CD1 4.08Å; E184-L201 HydrophobicContact CG-CD1 3.71Å
185	N	98.7	Very high	97.5	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	14%	0.142	C	C	.	.	S	Bend	trans	-157.8	110.4	-176.3	-174.4	102.9	0	0	0	111.1	Y81 R119 Y123 I124 R146 Y187	Y81-N185 WeakPolarHBondContact CE1-OD1 3.06Å; Y81-N185 PolarHBondContact OH-OD1 3.28Å; R119-N185 PolarHBondContact NH2-OD1 3.1Å; Y123-N185 HydrophobicContact CD1-CB 3.95Å; Y123-N185 HydrophobicContact CE1-CB 4.21Å; Y123-N185 VanDerWaalsContact O-CB 3.28Å; Y123-N185 WeakPolarHBondContact O-CB 3.49Å; I124-N185 PolarHBondContact O-OD1 3.44Å; R146-N185 PolarHBondContact NH2-O 3.3Å; N185-Y187 PolarHBondContact O-N 3.31Å
186	E	98.1	Very high	97.6	Very high	5 Å²	5	20.2 Å²	20.2	2%	0.023	14%	0.138	C	C	.	.	S	Bend	trans	47.3	48.6	177.5	-59	-178.7	128.3	0	0	111.1	G188 S189 T218 D219 H654	E186-G188 PolarHBondContact O-N 3.32Å; E186-S189 PolarHBondContact O-N 3.26Å; E186-S189 VanDerWaalsContact O-N 3.13Å; E186-T218 WeakPolarHBondContact CA-O 3.29Å; E186-T218 PolarHBondContact N-O 2.91Å; E186-D219 VanDerWaalsContact C-OD1 3.23Å; E186-D219 VanDerWaalsContact CA-OD1 3.28Å; E186-D219 WeakPolarHBondContact CA-OD1 3.44Å; E186-H654 IonicContact OE1-CE1 2.94Å; E186-H654 IonicContact OE1-CG 3.79Å; E186-H654 IonicContact OE1-ND1 3.48Å; E186-H654 PolarHBondContact OE1-ND1 2.77Å; E186-H654 IonicContact OE2-CE1 2.69Å; E186-H654 IonicContact OE2-ND1 2.69Å; E186-H654 PolarHBondContact OE2-ND1 3.06Å
187	Y	98.3	Very high	97.6	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.008	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-63.6	-26.8	-177.1	-169.3	-113	0	0	0	111.2	R146 E184 N185 S189 Y190 D194 Y197 M198 D219	R146-Y187 HydrophobicContact CB-CE2 4.14Å; R146-Y187 VanDerWaalsContact O-CE2 3.26Å; R146-Y187 WeakPolarHBondContact O-CE2 3.42Å; R146-Y187 PolarHBondContact O-OH 3.45Å; E184-Y187 HydrophobicContact CG-CD2 4.15Å; E184-Y187 WeakPolarHBondContact OE2-CB 3.43Å; N185-Y187 PolarHBondContact O-N 3.31Å; Y187-S189 VanDerWaalsContact C-N 3.26Å; Y187-S189 PolarHBondContact O-N 3.25Å; Y187-Y190 HydrophobicContact CD2-CD1 4.5Å; Y187-Y190 AromaticContact CE2-CD1 3.78Å; Y187-Y190 HydrophobicContact CE2-CD1 3.78Å; Y187-Y190 HydrophobicContact CE2-CG 4.46Å; Y187-Y190 WeakPolarHBondContact O-CB 3.18Å; Y187-Y190 PolarHBondContact O-N 2.92Å; Y187-D194 VanDerWaalsContact OH-CB 3.24Å; Y187-D194 WeakPolarHBondContact OH-CB 3.37Å; Y187-D194 PolarHBondContact OH-N 3.2Å; Y187-Y197 HydrophobicContact CD2-CD1 4.24Å; Y187-Y197 AromaticContact CD2-CE1 3.9Å; Y187-Y197 HydrophobicContact CD2-CE1 3.9Å; Y187-Y197 HydrophobicContact CE1-CD1 4.34Å; Y187-Y197 AromaticContact CE2-CD1 3.58Å; Y187-Y197 HydrophobicContact CE2-CD1 3.58Å; Y187-Y197 AromaticContact CE2-CE1 3.54Å; Y187-Y197 HydrophobicContact CE2-CE1 3.54Å; Y187-Y197 AromaticContact CZ-CD1 3.64Å; Y187-M198 HydrophobicContact CD1-CG 3.44Å; Y187-M198 VanDerWaalsContact CD1-CG 3.44Å; Y187-M198 HydrophobicContact CD1-SD 3.69Å; Y187-M198 HydrophobicContact CD2-SD 4.24Å; Y187-M198 HydrophobicContact CE1-CG 3.71Å; Y187-M198 HydrophobicContact CE1-SD 4.33Å; Y187-M198 HydrophobicContact CG-CG 4.06Å; Y187-M198 HydrophobicContact CG-SD 3.64Å; Y187-D219 PolarHBondContact N-OD1 3.2Å; Y187-D219 VanDerWaalsContact N-OD1 3.08Å
188	G	97.3	Very high	97.6	Very high	16 Å²	16	19.5 Å²	19.5	17%	0.165	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-58.7	-31.3	173.6	0	0	0	0	0	115.1	E186 Y190 D219 G223	E186-G188 PolarHBondContact O-N 3.32Å; G188-Y190 PolarHBondContact O-N 3.22Å; G188-D219 WeakPolarHBondContact CA-OD1 3.27Å; G188-D219 PolarHBondContact N-OD1 3.07Å; G188-G223 WeakPolarHBondContact CA-O 3.27Å
189	S	94.9	Very high	97.6	Very high	38 Å²	38	26.3 Å²	26.3	27%	0.266	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-81.7	-2.7	175.2	-63.3	0	0	0	0	112.7	E186 Y187 H654	E186-S189 PolarHBondContact O-N 3.26Å; E186-S189 VanDerWaalsContact O-N 3.13Å; Y187-S189 VanDerWaalsContact C-N 3.26Å; Y187-S189 PolarHBondContact O-N 3.25Å; S189-H654 WeakPolarHBondContact CB-OXT 3.39Å; S189-H654 PolarHBondContact OG-OXT 3.17Å
190	Y	94.8	Very high	97.6	Very high	25 Å²	25	29.1 Å²	29.1	10%	0.098	17%	0.171	C	C	.	.	S	Bend	trans	-96.7	124.5	175	-165.8	-116	0	0	0	111.3	L145 R146 T147 Y187 G188 A192 C193 N486	L145-Y190 PolarHBondContact O-OH 3.14Å; L145-Y190 VanDerWaalsContact O-OH 3.06Å; R146-Y190 HydrophobicContact CB-CD1 3.92Å; R146-Y190 HydrophobicContact CB-CE1 3.69Å; T147-Y190 HydrophobicContact CG2-CE1 4.33Å; Y187-Y190 HydrophobicContact CD2-CD1 4.5Å; Y187-Y190 AromaticContact CE2-CD1 3.78Å; Y187-Y190 HydrophobicContact CE2-CD1 3.78Å; Y187-Y190 HydrophobicContact CE2-CG 4.46Å; Y187-Y190 WeakPolarHBondContact O-CB 3.18Å; Y187-Y190 PolarHBondContact O-N 2.92Å; G188-Y190 PolarHBondContact O-N 3.22Å; Y190-A192 HydrophobicContact CD1-CB 3.6Å; Y190-A192 HydrophobicContact CE1-CB 3.5Å; Y190-A192 VanDerWaalsContact CE1-CB 3.5Å; Y190-A192 PolarHBondContact O-N 3.26Å; Y190-C193 PolarHBondContact O-N 3.15Å; Y190-N486 WeakPolarHBondContact CD2-OD1 3.25Å; Y190-N486 HydrophobicContact CE2-CB 4.39Å; Y190-N486 WeakPolarHBondContact CE2-OD1 3.39Å
191	G	91.3	Very high	97.6	Very high	57 Å²	57	29 Å²	29	59%	0.588	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-5.6	-168.6	0	0	0	0	0	115.9	N486	G191-N486 PolarHBondContact N-OD1 2.74Å; G191-N486 VanDerWaalsContact N-OD1 3.11Å
192	A	95.6	Very high	97.6	Very high	44 Å²	44	29.6 Å²	29.6	36%	0.364	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-35.2	179.2	0	0	0	0	0	113.2	T147 Y190 D194	T147-A192 HydrophobicContact CG2-CB 3.75Å; Y190-A192 HydrophobicContact CD1-CB 3.6Å; Y190-A192 HydrophobicContact CE1-CB 3.5Å; Y190-A192 VanDerWaalsContact CE1-CB 3.5Å; Y190-A192 PolarHBondContact O-N 3.26Å; A192-D194 PolarHBondContact O-N 3.08Å; A192-D194 VanDerWaalsContact O-N 3.16Å
193	C	96.8	Very high	97.6	Very high	41 Å²	41	31.5 Å²	31.5	28%	0.277	19%	0.194	S	C	.	.			trans	46.7	42.3	-178.2	-164.6	0	0	0	0	113.3	Y190 F195 C226	Y190-C193 PolarHBondContact O-N 3.15Å; C193-F195 PolarHBondContact O-N 3.03Å; C193-C226 HydrophobicContact CB-CB 3.82Å; C193-C226 WeakPolarHBondContact CB-SG 3.45Å; C193-C226 WeakPolarHBondContact SG-CB 3.32Å; C193-C226 CovalentContact SG-SG 2.04Å; C193-C226 PolarHBondContact SG-SG 3.08Å
194	D	98.1	Very high	97.6	Very high	35 Å²	35	32.3 Å²	32.3	19%	0.187	20%	0.198	C	C	.	.			trans	-88.7	96.3	-176.6	-173.8	-10	0	0	0	111.9	S148 Y187 A192 S196 Y197 M198	S148-D194 WeakPolarHBondContact CB-OD2 3.27Å; S148-D194 PolarHBondContact N-OD2 3.47Å; S148-D194 PolarHBondContact OG-OD1 2.84Å; S148-D194 VanDerWaalsContact OG-OD1 3.1Å; S148-D194 PolarHBondContact OG-OD2 3.21Å; Y187-D194 VanDerWaalsContact OH-CB 3.24Å; Y187-D194 WeakPolarHBondContact OH-CB 3.37Å; Y187-D194 PolarHBondContact OH-N 3.2Å; A192-D194 PolarHBondContact O-N 3.08Å; A192-D194 VanDerWaalsContact O-N 3.16Å; D194-S196 PolarHBondContact O-N 3.4Å; D194-S196 WeakPolarHBondContact OD1-CA 3.39Å; D194-S196 VanDerWaalsContact OD1-CB 3.25Å; D194-S196 WeakPolarHBondContact OD1-CB 3.35Å; D194-S196 PolarHBondContact OD1-N 3.13Å; D194-Y197 WeakPolarHBondContact O-CB 3.21Å; D194-Y197 PolarHBondContact O-N 3.18Å; D194-Y197 PolarHBondContact OD1-N 3.07Å; D194-M198 PolarHBondContact O-N 3.04Å
195	F	98.4	Very high	97.6	Very high	81 Å²	81	32.2 Å²	32.2	36%	0.355	20%	0.198	S	C	.	.	H	α-helix	trans	-67.7	-17.9	175.8	-68.1	-76.2	0	0	0	114.3	C193 R199 K225 L229	C193-F195 PolarHBondContact O-N 3.03Å; F195-R199 WeakPolarHBondContact O-CB 3.05Å; F195-R199 VanDerWaalsContact O-CG 3.25Å; F195-R199 WeakPolarHBondContact O-CG 3.18Å; F195-R199 PolarHBondContact O-N 3Å; F195-R199 PolarHBondContact O-NE 3.4Å; F195-K225 WeakPolarHBondContact CZ-O 3.49Å; F195-L229 HydrophobicContact CD1-CD1 4.09Å
196	S	98.7	Very high	97.6	Very high	56 Å²	56	34.6 Å²	34.6	39%	0.392	21%	0.207	S	C	.	.	H	α-helix	trans	-71.6	-38	175	-57.9	0	0	0	0	110.4	S148 D194 R199 H200	S148-S196 VanDerWaalsContact OG-CB 3.27Å; S148-S196 WeakPolarHBondContact OG-CB 3.41Å; D194-S196 PolarHBondContact O-N 3.4Å; D194-S196 WeakPolarHBondContact OD1-CA 3.39Å; D194-S196 VanDerWaalsContact OD1-CB 3.25Å; D194-S196 WeakPolarHBondContact OD1-CB 3.35Å; D194-S196 PolarHBondContact OD1-N 3.13Å; S196-R199 PolarHBondContact O-N 2.81Å; S196-R199 PolarHBondContact OG-NH2 3.28Å; S196-H200 WeakPolarHBondContact O-CB 3.45Å; S196-H200 PolarHBondContact O-N 3.32Å
197	Y	98.8	Very high	97.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-48.7	172.1	163.3	-117.4	0	0	0	111.6	R146 S148 F152 L153 E184 Y187 D194 R199 H200 L201	R146-Y197 HydrophobicContact CB-CE1 4.18Å; R146-Y197 WeakPolarHBondContact O-CD1 3.37Å; S148-Y197 PolarHBondContact OG-N 3.38Å; F152-Y197 HydrophobicContact CD1-CE2 4.34Å; F152-Y197 HydrophobicContact CE1-CD2 4.37Å; F152-Y197 AromaticContact CE1-CE2 3.64Å; F152-Y197 HydrophobicContact CE1-CE2 3.64Å; F152-Y197 AromaticContact CE1-CZ 4Å; L153-Y197 HydrophobicContact CD2-CD2 3.8Å; L153-Y197 HydrophobicContact CD2-CE2 4.44Å; E184-Y197 HydrophobicContact CG-CE1 3.65Å; E184-Y197 WeakPolarHBondContact CG-OH 3.45Å; E184-Y197 PolarHBondContact OE1-OH 2.82Å; E184-Y197 VanDerWaalsContact OE1-OH 3.09Å; Y187-Y197 HydrophobicContact CD2-CD1 4.24Å; Y187-Y197 AromaticContact CD2-CE1 3.9Å; Y187-Y197 HydrophobicContact CD2-CE1 3.9Å; Y187-Y197 HydrophobicContact CE1-CD1 4.34Å; Y187-Y197 AromaticContact CE2-CD1 3.58Å; Y187-Y197 HydrophobicContact CE2-CD1 3.58Å; Y187-Y197 AromaticContact CE2-CE1 3.54Å; Y187-Y197 HydrophobicContact CE2-CE1 3.54Å; Y187-Y197 AromaticContact CZ-CD1 3.64Å; D194-Y197 WeakPolarHBondContact O-CB 3.21Å; D194-Y197 PolarHBondContact O-N 3.18Å; D194-Y197 PolarHBondContact OD1-N 3.07Å; Y197-R199 VanDerWaalsContact C-N 3.34Å; Y197-R199 PolarHBondContact O-N 2.84Å; Y197-H200 WeakPolarHBondContact O-CB 3.43Å; Y197-H200 PolarHBondContact O-N 2.89Å; Y197-H200 VanDerWaalsContact O-N 3.14Å; Y197-L201 HydrophobicContact CD2-CD1 4.35Å; Y197-L201 HydrophobicContact CD2-CG 4.14Å; Y197-L201 HydrophobicContact CE1-CD1 4.07Å; Y197-L201 HydrophobicContact CE2-CD1 3.62Å; Y197-L201 HydrophobicContact CE2-CD2 3.99Å; Y197-L201 HydrophobicContact CE2-CG 3.71Å; Y197-L201 VanDerWaalsContact CZ-CD1 3.48Å; Y197-L201 PolarHBondContact O-N 2.87Å
198	M	98.8	Very high	97.6	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-61.1	-41.6	178.3	-69.8	-61.9	-73	0	0	112.2	E184 Y187 D194 L201 A202 T217 L229	E184-M198 HydrophobicContact CB-CE 3.91Å; E184-M198 HydrophobicContact CB-SD 3.7Å; E184-M198 HydrophobicContact CG-SD 3.74Å; Y187-M198 HydrophobicContact CD1-CG 3.44Å; Y187-M198 VanDerWaalsContact CD1-CG 3.44Å; Y187-M198 HydrophobicContact CD1-SD 3.69Å; Y187-M198 HydrophobicContact CD2-SD 4.24Å; Y187-M198 HydrophobicContact CE1-CG 3.71Å; Y187-M198 HydrophobicContact CE1-SD 4.33Å; Y187-M198 HydrophobicContact CG-CG 4.06Å; Y187-M198 HydrophobicContact CG-SD 3.64Å; D194-M198 PolarHBondContact O-N 3.04Å; M198-L201 PolarHBondContact O-N 3.22Å; M198-A202 WeakPolarHBondContact O-CB 3.45Å; M198-A202 PolarHBondContact O-N 3.46Å; M198-T217 HydrophobicContact CE-CG2 3.91Å; M198-L229 HydrophobicContact CB-CD2 4.11Å
199	R	98.8	Very high	97.7	Very high	144 Å²	144	40 Å²	40	54%	0.543	24%	0.244	S	C	.	.	H	α-helix	trans	-65.1	-38.4	174.1	-75.6	-178.5	-64.4	133.9	-1.4	112.6	F195 S196 Y197 A202 G203 L229	F195-R199 WeakPolarHBondContact O-CB 3.05Å; F195-R199 VanDerWaalsContact O-CG 3.25Å; F195-R199 WeakPolarHBondContact O-CG 3.18Å; F195-R199 PolarHBondContact O-N 3Å; F195-R199 PolarHBondContact O-NE 3.4Å; S196-R199 PolarHBondContact O-N 2.81Å; S196-R199 PolarHBondContact OG-NH2 3.28Å; Y197-R199 VanDerWaalsContact C-N 3.34Å; Y197-R199 PolarHBondContact O-N 2.84Å; R199-A202 PolarHBondContact O-N 3.27Å; R199-G203 PolarHBondContact O-N 3.34Å; R199-L229 HydrophobicContact CG-CD1 3.75Å; R199-L229 HydrophobicContact CG-CD2 4.01Å; R199-L229 HydrophobicContact CG-CG 4.45Å
200	H	98.9	Very high	97.8	Very high	59 Å²	59	39.6 Å²	39.6	27%	0.273	25%	0.246	S	C	.	.	H	α-helix	trans	-60.7	-48.3	175.6	-179.4	88.1	0	0	0	111.1	L153 D157 S196 Y197 G203 L204	L153-H200 HydrophobicContact CD2-CB 4.5Å; D157-H200 IonicContact OD1-CD2 2.67Å; D157-H200 IonicContact OD1-CE1 2.92Å; D157-H200 PolarHBondContact OD1-CE1 3.45Å; D157-H200 IonicContact OD1-NE2 3.95Å; D157-H200 PolarHBondContact OD1-NE2 3.44Å; D157-H200 IonicContact OD2-CE1 3.48Å; D157-H200 IonicContact OD2-NE2 2.8Å; S196-H200 WeakPolarHBondContact O-CB 3.45Å; S196-H200 PolarHBondContact O-N 3.32Å; Y197-H200 WeakPolarHBondContact O-CB 3.43Å; Y197-H200 PolarHBondContact O-N 2.89Å; Y197-H200 VanDerWaalsContact O-N 3.14Å; H200-G203 PolarHBondContact O-N 2.86Å; H200-L204 WeakPolarHBondContact O-CB 3.28Å; H200-L204 PolarHBondContact O-N 3.07Å
201	L	98.9	Very high	97.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.2	-48.4	175.8	-69.1	-175.4	0	0	0	112.3	P122 V156 F160 V183 E184 Y197 M198 G203 L204 F205	P122-L201 HydrophobicContact CG-CD2 4.32Å; V156-L201 HydrophobicContact CG1-CD2 3.56Å; F160-L201 HydrophobicContact CE2-CD2 4.05Å; V183-L201 HydrophobicContact CG1-CB 3.57Å; V183-L201 HydrophobicContact CG1-CD1 4.12Å; E184-L201 HydrophobicContact CB-CD1 4.08Å; E184-L201 HydrophobicContact CG-CD1 3.71Å; Y197-L201 HydrophobicContact CD2-CD1 4.35Å; Y197-L201 HydrophobicContact CD2-CG 4.14Å; Y197-L201 HydrophobicContact CE1-CD1 4.07Å; Y197-L201 HydrophobicContact CE2-CD1 3.62Å; Y197-L201 HydrophobicContact CE2-CD2 3.99Å; Y197-L201 HydrophobicContact CE2-CG 3.71Å; Y197-L201 VanDerWaalsContact CZ-CD1 3.48Å; Y197-L201 PolarHBondContact O-N 2.87Å; M198-L201 PolarHBondContact O-N 3.22Å; L201-G203 VanDerWaalsContact C-N 3.33Å; L201-G203 PolarHBondContact O-N 2.99Å; L201-L204 PolarHBondContact O-N 2.8Å; L201-F205 WeakPolarHBondContact O-CD2 3.48Å; L201-F205 PolarHBondContact O-N 2.73Å
202	A	98.8	Very high	98.1	Very high	13 Å²	13	50 Å²	50	11%	0.107	28%	0.278	C	S	.	.	H	α-helix	trans	-57.8	-46.9	178	0	0	0	0	0	111.4	M198 R199 L204 F205 R206 L229 L232	M198-A202 WeakPolarHBondContact O-CB 3.45Å; M198-A202 PolarHBondContact O-N 3.46Å; R199-A202 PolarHBondContact O-N 3.27Å; A202-L204 PolarHBondContact O-N 3.15Å; A202-F205 PolarHBondContact O-N 2.73Å; A202-R206 WeakPolarHBondContact O-CG 3.15Å; A202-R206 PolarHBondContact O-N 3.29Å; A202-L229 HydrophobicContact CB-CD2 3.98Å; A202-L232 HydrophobicContact CB-CD1 4.2Å; A202-L232 HydrophobicContact CB-CD2 3.98Å; A202-L232 HydrophobicContact CB-CG 4.31Å
203	G	98.7	Very high	98.3	Very high	39 Å²	39	48.1 Å²	48.1	40%	0.402	26%	0.261	S	S	.	.	H	α-helix	trans	-61.9	-41.8	177.2	0	0	0	0	0	112.9	R199 H200 L201 R206 A207	R199-G203 PolarHBondContact O-N 3.34Å; H200-G203 PolarHBondContact O-N 2.86Å; L201-G203 VanDerWaalsContact C-N 3.33Å; L201-G203 PolarHBondContact O-N 2.99Å; G203-R206 PolarHBondContact O-N 3.42Å; G203-A207 WeakPolarHBondContact O-CB 3.3Å; G203-A207 PolarHBondContact O-N 3.1Å
204	L	98.7	Very high	98.4	Very high	18 Å²	18	47.4 Å²	47.4	9%	0.094	26%	0.255	C	S	.	.	H	α-helix	trans	-62.9	-43.3	176.5	-178.6	62.8	0	0	0	112	D157 F160 H200 L201 A202 A207 L208	D157-L204 WeakPolarHBondContact OD1-CD2 3.33Å; F160-L204 HydrophobicContact CB-CD2 3.74Å; F160-L204 HydrophobicContact CB-CG 4.38Å; F160-L204 HydrophobicContact CD2-CD2 3.86Å; F160-L204 HydrophobicContact CG-CD2 4.21Å; H200-L204 WeakPolarHBondContact O-CB 3.28Å; H200-L204 PolarHBondContact O-N 3.07Å; L201-L204 PolarHBondContact O-N 2.8Å; A202-L204 PolarHBondContact O-N 3.15Å; L204-A207 PolarHBondContact O-N 2.65Å; L204-L208 HydrophobicContact CD1-CD1 3.74Å; L204-L208 HydrophobicContact CD1-CG 4.35Å; L204-L208 HydrophobicContact CG-CD1 4.18Å; L204-L208 WeakPolarHBondContact O-CG 3.25Å; L204-L208 PolarHBondContact O-N 2.82Å; L204-L208 VanDerWaalsContact O-N 3.1Å
205	F	98.8	Very high	98.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.1	-43.2	176.9	-82.5	-130.8	0	0	0	110.7	P120 F160 L164 I181 V183 L201 A202 L208 L209 L215	P120-F205 HydrophobicContact CG-CE1 3.69Å; P120-F205 HydrophobicContact CG-CZ 3.8Å; F160-F205 AromaticContact CD1-CE2 3.98Å; F160-F205 HydrophobicContact CD1-CE2 3.98Å; F160-F205 HydrophobicContact CD1-CZ 4.13Å; F160-F205 HydrophobicContact CD2-CE2 4.02Å; F160-F205 AromaticContact CE1-CE2 3.76Å; F160-F205 HydrophobicContact CE1-CE2 3.76Å; F160-F205 AromaticContact CE1-CZ 3.59Å; F160-F205 HydrophobicContact CE1-CZ 3.59Å; F160-F205 AromaticContact CE2-CE2 3.79Å; F160-F205 HydrophobicContact CE2-CE2 3.79Å; F160-F205 HydrophobicContact CE2-CZ 4.28Å; F160-F205 HydrophobicContact CG-CE2 4.11Å; F160-F205 AromaticContact CZ-CE2 3.66Å; F160-F205 HydrophobicContact CZ-CE2 3.66Å; F160-F205 AromaticContact CZ-CZ 3.67Å; F160-F205 HydrophobicContact CZ-CZ 3.67Å; L164-F205 HydrophobicContact CD1-CB 4.47Å; L164-F205 HydrophobicContact CD1-CD1 4.37Å; L164-F205 HydrophobicContact CD1-CD2 3.74Å; L164-F205 HydrophobicContact CD1-CE2 4.04Å; L164-F205 HydrophobicContact CD1-CG 3.93Å; L164-F205 HydrophobicContact CD1-CZ 4.49Å; L164-F205 HydrophobicContact CD2-CE1 4.25Å; L164-F205 HydrophobicContact CD2-CZ 4.27Å; I181-F205 HydrophobicContact CG2-CD1 4.03Å; I181-F205 HydrophobicContact CG2-CE1 3.62Å; V183-F205 HydrophobicContact CG2-CD1 4.04Å; V183-F205 HydrophobicContact CG2-CE1 4.27Å; V183-F205 HydrophobicContact CG2-CG 4.36Å; L201-F205 WeakPolarHBondContact O-CD2 3.48Å; L201-F205 PolarHBondContact O-N 2.73Å; A202-F205 PolarHBondContact O-N 2.73Å; F205-L208 PolarHBondContact O-N 2.75Å; F205-L209 HydrophobicContact CD1-CD1 4.16Å; F205-L209 WeakPolarHBondContact O-CA 3.12Å; F205-L209 WeakPolarHBondContact O-CB 3.42Å; F205-L209 WeakPolarHBondContact O-CG 3.36Å; F205-L209 PolarHBondContact O-N 3.35Å; F205-L215 HydrophobicContact CB-CD1 3.7Å; F205-L215 HydrophobicContact CB-CD2 4.39Å; F205-L215 HydrophobicContact CD1-CD2 3.99Å
206	R	98.5	Very high	98.4	Very high	51 Å²	51	42.1 Å²	42.1	19%	0.192	23%	0.23	C	C	.	.	H	α-helix	trans	-61.9	-43.9	175	-69.5	-61.5	-179.1	-153.3	0.3	112.5	A202 G203 L208 G210 E211 I213 L215	A202-R206 WeakPolarHBondContact O-CG 3.15Å; A202-R206 PolarHBondContact O-N 3.29Å; G203-R206 PolarHBondContact O-N 3.42Å; R206-L208 VanDerWaalsContact C-N 3.28Å; R206-L208 PolarHBondContact O-N 2.68Å; R206-G210 PolarHBondContact NH1-O 2.92Å; R206-G210 VanDerWaalsContact O-CA 3.26Å; R206-G210 WeakPolarHBondContact O-CA 3.49Å; R206-G210 PolarHBondContact O-N 2.66Å; R206-E211 WeakPolarHBondContact CD-OE2 3.36Å; R206-E211 IonicContact NE-OE2 3.49Å; R206-E211 PolarHBondContact NH1-O 2.98Å; R206-I213 PolarHBondContact NH1-O 2.92Å; R206-L215 HydrophobicContact CG-CD1 4.24Å
207	A	98.6	Very high	98.4	Very high	84 Å²	84	39.6 Å²	39.6	69%	0.694	21%	0.212	S	C	*	.	H	α-helix	trans	-61.7	-35.5	178.5	0	0	0	0	0	112.9	G203 L204	G203-A207 WeakPolarHBondContact O-CB 3.3Å; G203-A207 PolarHBondContact O-N 3.1Å; L204-A207 PolarHBondContact O-N 2.65Å
208	L	98.6	Very high	98.4	Very high	52 Å²	52	39.6 Å²	39.6	27%	0.272	21%	0.212	S	C	.	.	H	α-helix	trans	-97.4	-23.9	-175.2	-66.6	175.1	0	0	0	114.4	K161 L164 L204 F205 R206	K161-L208 HydrophobicContact CG-CD1 4.27Å; L164-L208 HydrophobicContact CB-CB 4.02Å; L164-L208 HydrophobicContact CB-CD1 4.16Å; L164-L208 HydrophobicContact CD1-CB 4.05Å; L164-L208 HydrophobicContact CD1-CD1 3.94Å; L164-L208 HydrophobicContact CG-CD1 4.44Å; L204-L208 HydrophobicContact CD1-CD1 3.74Å; L204-L208 HydrophobicContact CD1-CG 4.35Å; L204-L208 HydrophobicContact CG-CD1 4.18Å; L204-L208 WeakPolarHBondContact O-CG 3.25Å; L204-L208 PolarHBondContact O-N 2.82Å; L204-L208 VanDerWaalsContact O-N 3.1Å; F205-L208 PolarHBondContact O-N 2.75Å; R206-L208 VanDerWaalsContact C-N 3.28Å; R206-L208 PolarHBondContact O-N 2.68Å
209	L	98.5	Very high	98.4	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-114.9	-13.8	-175.9	-55.5	179.6	0	0	0	114.3	L164 I167 Y168 L171 I181 F205 I213	L164-L209 HydrophobicContact CB-CD2 3.88Å; L164-L209 HydrophobicContact CB-CG 4.32Å; L164-L209 HydrophobicContact CD1-CD1 4.44Å; L164-L209 HydrophobicContact CD1-CG 4.33Å; L164-L209 HydrophobicContact CD2-CD1 4.29Å; I167-L209 HydrophobicContact CG1-CD2 4.36Å; Y168-L209 HydrophobicContact CD2-CD2 4.19Å; L171-L209 HydrophobicContact CD1-CB 4.2Å; L171-L209 HydrophobicContact CD1-CD2 4.31Å; I181-L209 HydrophobicContact CD1-CD1 3.57Å; F205-L209 HydrophobicContact CD1-CD1 4.16Å; F205-L209 WeakPolarHBondContact O-CA 3.12Å; F205-L209 WeakPolarHBondContact O-CB 3.42Å; F205-L209 WeakPolarHBondContact O-CG 3.36Å; F205-L209 PolarHBondContact O-N 3.35Å; L209-I213 HydrophobicContact CB-CG2 3.95Å; L209-I213 HydrophobicContact CD1-CG2 4.37Å
210	G	97.3	Very high	98.3	Very high	30 Å²	30	32.9 Å²	32.9	31%	0.309	19%	0.188	S	C	.	.			trans	79.6	-178.3	-175.9	0	0	0	0	0	114.6	R206	R206-G210 PolarHBondContact NH1-O 2.92Å; R206-G210 VanDerWaalsContact O-CA 3.26Å; R206-G210 WeakPolarHBondContact O-CA 3.49Å; R206-G210 PolarHBondContact O-N 2.66Å
211	E	96.3	Very high	98	Very high	143 Å²	143	31.8 Å²	31.8	67%	0.668	19%	0.186	S	C	*	.	S	Bend	trans	-82.1	-18.1	-171.8	-63.4	-57.1	147.7	0	0	114.2	R206	R206-E211 WeakPolarHBondContact CD-OE2 3.36Å; R206-E211 IonicContact NE-OE2 3.49Å; R206-E211 PolarHBondContact NH1-O 2.98Å
212	K	96.8	Very high	97.7	Very high	157 Å²	157	40.2 Å²	40.2	68%	0.683	23%	0.226	S	C	*	.	S	Bend	trans	-77	-27.5	-169.9	-68.3	-175	179.2	-176.5	0	114.6
213	I	98.1	Very high	97.5	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.026	22%	0.222	C	C	.	.	S	Bend	trans	-74.3	137.1	-178.8	-173.2	59.4	0	0	0	110.6	L171 I179 I181 R206 L209 L215	L171-I213 HydrophobicContact CD1-CB 4.41Å; L171-I213 HydrophobicContact CD2-CD1 4.03Å; L171-I213 HydrophobicContact CD2-CG1 4.06Å; I179-I213 WeakPolarHBondContact O-CD1 3.48Å; I181-I213 HydrophobicContact CD1-CG1 3.94Å; I181-I213 HydrophobicContact CG1-CD1 4.35Å; I181-I213 HydrophobicContact CG1-CG1 3.93Å; R206-I213 PolarHBondContact NH1-O 2.92Å; L209-I213 HydrophobicContact CB-CG2 3.95Å; L209-I213 HydrophobicContact CD1-CG2 4.37Å; I213-L215 HydrophobicContact CG2-CD2 3.9Å; I213-L215 HydrophobicContact CG2-CG 4.31Å; I213-L215 PolarHBondContact O-N 3.4Å
214	L	98.7	Very high	97.4	Very high	26 Å²	26	38 Å²	38	14%	0.136	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	114	171.5	-180	62.3	0	0	0	109.6	F30 V32 F39 S180 I181 Y233	F30-L214 HydrophobicContact CD1-CB 4.35Å; F30-L214 HydrophobicContact CD1-CD2 4.28Å; F30-L214 HydrophobicContact CE1-CD2 3.76Å; V32-L214 HydrophobicContact CG2-CD1 3.66Å; V32-L214 HydrophobicContact CG2-CD2 3.95Å; V32-L214 HydrophobicContact CG2-CG 4.45Å; F39-L214 HydrophobicContact CD1-CD2 4.39Å; F39-L214 HydrophobicContact CE1-CD2 3.63Å; F39-L214 HydrophobicContact CZ-CD2 4.38Å; S180-L214 VanDerWaalsContact CA-O 3.32Å; S180-L214 WeakPolarHBondContact CA-O 3.38Å; I181-L214 PolarHBondContact N-O 2.8Å; L214-Y233 HydrophobicContact CD1-CG 4.48Å
215	L	98.9	Very high	97.3	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	136.8	170	-57.8	-176.3	0	0	0	109.5	I181 V183 F205 R206 I213 L232 Y233	I181-L215 HydrophobicContact CB-CD2 3.9Å; I181-L215 HydrophobicContact CG2-CD2 4.42Å; I181-L215 VanDerWaalsContact O-CA 3.29Å; I181-L215 WeakPolarHBondContact O-CA 3.33Å; V183-L215 HydrophobicContact CG2-CB 4.1Å; V183-L215 HydrophobicContact CG2-CD1 4.26Å; V183-L215 HydrophobicContact CG2-CD2 4.41Å; V183-L215 HydrophobicContact CG2-CG 4.5Å; F205-L215 HydrophobicContact CB-CD1 3.7Å; F205-L215 HydrophobicContact CB-CD2 4.39Å; F205-L215 HydrophobicContact CD1-CD2 3.99Å; R206-L215 HydrophobicContact CG-CD1 4.24Å; I213-L215 HydrophobicContact CG2-CD2 3.9Å; I213-L215 HydrophobicContact CG2-CG 4.31Å; I213-L215 PolarHBondContact O-N 3.4Å; L215-L232 HydrophobicContact CB-CD2 3.54Å; L215-L232 HydrophobicContact CD1-CD2 4.12Å; L215-L232 HydrophobicContact CG-CD2 4.49Å; L215-Y233 PolarHBondContact O-N 3.12Å
216	F	98.9	Very high	97.3	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	164.9	-177	77.2	-83.9	0	0	0	112.9	I117 I181 Q182 V183 T218 Y233 T235	I117-F216 HydrophobicContact CG2-CE1 3.74Å; I117-F216 HydrophobicContact CG2-CZ 3.58Å; I181-F216 VanDerWaalsContact C-CD1 3.42Å; I181-F216 VanDerWaalsContact C-CE1 3.43Å; I181-F216 VanDerWaalsContact O-CD1 3.3Å; I181-F216 WeakPolarHBondContact O-CD1 3.5Å; I181-F216 PolarHBondContact O-N 2.93Å; Q182-F216 CarbonylContact C-O 3.52Å; Q182-F216 VanDerWaalsContact CA-O 3.28Å; Q182-F216 WeakPolarHBondContact CA-O 3.4Å; Q182-F216 HydrophobicContact CB-CD1 4.25Å; Q182-F216 HydrophobicContact CB-CD2 4.36Å; Q182-F216 HydrophobicContact CB-CE1 3.76Å; Q182-F216 HydrophobicContact CB-CE2 3.89Å; Q182-F216 HydrophobicContact CB-CZ 3.58Å; Q182-F216 HydrophobicContact CG-CD2 4.09Å; Q182-F216 HydrophobicContact CG-CE2 3.83Å; Q182-F216 HydrophobicContact CG-CZ 4.06Å; Q182-F216 WeakPolarHBondContact CG-O 3.19Å; Q182-F216 VanDerWaalsContact N-CE1 3.26Å; Q182-F216 VanDerWaalsContact OE1-CE2 3.27Å; V183-F216 PolarHBondContact N-O 3.08Å; F216-T218 WeakPolarHBondContact CE2-OG1 3.37Å; F216-Y233 CarbonylContact C-O 3.12Å; F216-Y233 WeakPolarHBondContact CA-O 3.29Å; F216-Y233 WeakPolarHBondContact CB-O 3.34Å; F216-T235 HydrophobicContact CB-CG2 4.32Å; F216-T235 HydrophobicContact CD2-CG2 3.72Å; F216-T235 HydrophobicContact CE2-CG2 4.45Å; F216-T235 HydrophobicContact CG-CG2 4.37Å
217	T	98.9	Very high	97.2	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	158.3	169.6	61.4	0	0	0	0	110.3	M198 G227 L232 Y233 T235	M198-T217 HydrophobicContact CE-CG2 3.91Å; T217-G227 PolarHBondContact OG1-O 3.18Å; T217-L232 HydrophobicContact CG2-CB 4.2Å; T217-L232 HydrophobicContact CG2-CD1 3.62Å; T217-Y233 PolarHBondContact N-O 3.09Å; T217-T235 WeakPolarHBondContact O-CA 3.37Å; T217-T235 WeakPolarHBondContact O-CB 3.49Å; T217-T235 PolarHBondContact O-N 2.87Å; T217-T235 PolarHBondContact O-OG1 3.27Å
218	T	98.9	Very high	97.2	Very high	1 Å²	1	40 Å²	40	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	127.5	177.3	-60.7	0	0	0	0	107.9	Q182 E186 F216 T235 D237 S263	Q182-T218 PolarHBondContact OE1-OG1 3.06Å; E186-T218 WeakPolarHBondContact CA-O 3.29Å; E186-T218 PolarHBondContact N-O 2.91Å; F216-T218 WeakPolarHBondContact CE2-OG1 3.37Å; T218-T235 PolarHBondContact OG1-OG1 3.03Å; T218-D237 HydrophobicContact CG2-CB 4.01Å; T218-D237 WeakPolarHBondContact CG2-OD2 3.48Å; T218-S263 WeakPolarHBondContact OG1-CB 3.43Å; T218-S263 PolarHBondContact OG1-OG 3.38Å
219	D	98.6	Very high	97.1	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	144.9	176.2	-63	-90.4	0	0	0	110.8	E186 Y187 G188 L224 G227 T235 V236 D237	E186-D219 VanDerWaalsContact C-OD1 3.23Å; E186-D219 VanDerWaalsContact CA-OD1 3.28Å; E186-D219 WeakPolarHBondContact CA-OD1 3.44Å; Y187-D219 PolarHBondContact N-OD1 3.2Å; Y187-D219 VanDerWaalsContact N-OD1 3.08Å; G188-D219 WeakPolarHBondContact CA-OD1 3.27Å; G188-D219 PolarHBondContact N-OD1 3.07Å; D219-L224 HydrophobicContact CB-CD2 4.41Å; D219-G227 WeakPolarHBondContact OD1-CA 3.37Å; D219-G227 VanDerWaalsContact OD2-CA 3.28Å; D219-G227 WeakPolarHBondContact OD2-CA 3.25Å; D219-T235 PolarHBondContact N-O 3.24Å; D219-V236 VanDerWaalsContact O-CA 3.31Å; D219-V236 WeakPolarHBondContact O-CA 3.45Å; D219-D237 PolarHBondContact O-N 3.31Å
220	G	96.3	Very high	97	Very high	4 Å²	4	47.9 Å²	47.9	4%	0.041	24%	0.238	C	C	.	.			trans	-57.4	161.8	163.6	0	0	0	0	0	111.8	E222 G223 L224 D237	G220-E222 PolarHBondContact O-N 3.42Å; G220-E222 VanDerWaalsContact O-N 3.08Å; G220-G223 PolarHBondContact O-N 2.99Å; G220-L224 PolarHBondContact O-N 3.18Å; G220-D237 WeakPolarHBondContact CA-OD1 3.41Å; G220-D237 PolarHBondContact N-OD2 3.39Å
221	P	91.9	Very high	96.9	Very high	36 Å²	36	49.4 Å²	49.4	23%	0.234	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-32.6	-171.8	21.3	-33.4	0	0	0	114.1	I247 L250	P221-I247 HydrophobicContact CB-CG1 4.21Å; P221-I247 HydrophobicContact CB-CG2 4.37Å; P221-I247 HydrophobicContact CG-CD1 4.3Å; P221-I247 HydrophobicContact CG-CG1 4.17Å; P221-L250 HydrophobicContact CB-CD2 3.78Å; P221-L250 WeakPolarHBondContact O-CD2 3.37Å
222	E	92.4	Very high	97	Very high	177 Å²	177	42.9 Å²	42.9	83%	0.827	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-26.8	179.4	-58.6	-170.8	176.6	0	0	112.5	G220	G220-E222 PolarHBondContact O-N 3.42Å; G220-E222 VanDerWaalsContact O-N 3.08Å
223	G	95.9	Very high	97.1	Very high	4 Å²	4	35.7 Å²	35.7	4%	0.041	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-20.5	-178.2	0	0	0	0	0	114.8	G188 G220 K225 C226 G227	G188-G223 WeakPolarHBondContact CA-O 3.27Å; G220-G223 PolarHBondContact O-N 2.99Å; G223-K225 PolarHBondContact O-N 3.24Å; G223-C226 PolarHBondContact O-N 3.32Å; G223-G227 PolarHBondContact O-N 2.98Å
224	L	96.9	Very high	97.1	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-49.1	-34.3	-174	-73.3	169.5	0	0	0	114.3	D219 G220 C226 S228 T234 V236 L250 Y254	D219-L224 HydrophobicContact CB-CD2 4.41Å; G220-L224 PolarHBondContact O-N 3.18Å; L224-C226 VanDerWaalsContact C-N 3.32Å; L224-C226 PolarHBondContact O-N 3.45Å; L224-S228 VanDerWaalsContact O-CB 3.22Å; L224-S228 WeakPolarHBondContact O-CB 3.38Å; L224-S228 PolarHBondContact O-N 3.32Å; L224-S228 VanDerWaalsContact O-N 3.13Å; L224-S228 PolarHBondContact O-OG 3.08Å; L224-S228 VanDerWaalsContact O-OG 3.04Å; L224-T234 HydrophobicContact CD2-CG2 3.49Å; L224-T234 VanDerWaalsContact CD2-CG2 3.49Å; L224-V236 HydrophobicContact CD1-CG1 4.12Å; L224-V236 HydrophobicContact CD2-CG1 3.98Å; L224-V236 HydrophobicContact CG-CG1 4.43Å; L224-L250 HydrophobicContact CD1-CD2 4.02Å; L224-L250 HydrophobicContact CD1-CG 3.84Å; L224-Y254 HydrophobicContact CB-CD2 3.89Å; L224-Y254 HydrophobicContact CB-CE1 4.38Å; L224-Y254 HydrophobicContact CB-CE2 3.54Å; L224-Y254 HydrophobicContact CB-CG 4.44Å; L224-Y254 HydrophobicContact CD1-CD2 3.98Å; L224-Y254 HydrophobicContact CD1-CE2 4.02Å; L224-Y254 HydrophobicContact CG-CD2 4.38Å; L224-Y254 HydrophobicContact CG-CE2 4.37Å
225	K	96.6	Very high	97.1	Very high	157 Å²	157	34.4 Å²	34.4	68%	0.683	19%	0.185	S	C	*	.	H	α-helix	trans	-59.3	-40.9	179.4	-177	-178.2	175.6	-173.2	0	113.1	F195 G223 Y254	F195-K225 WeakPolarHBondContact CZ-O 3.49Å; G223-K225 PolarHBondContact O-N 3.24Å; K225-Y254 WeakPolarHBondContact CA-OH 3.45Å; K225-Y254 PolarHBondContact N-OH 3.01Å
226	C	97.2	Very high	97.1	Very high	23 Å²	23	34.3 Å²	34.3	16%	0.155	19%	0.185	C	C	.	.	H	α-helix	trans	-103.5	-19.6	-174.8	-74.7	0	0	0	0	112.8	C193 G223 L224	C193-C226 HydrophobicContact CB-CB 3.82Å; C193-C226 WeakPolarHBondContact CB-SG 3.45Å; C193-C226 WeakPolarHBondContact SG-CB 3.32Å; C193-C226 CovalentContact SG-SG 2.04Å; C193-C226 PolarHBondContact SG-SG 3.08Å; G223-C226 PolarHBondContact O-N 3.32Å; L224-C226 VanDerWaalsContact C-N 3.32Å; L224-C226 PolarHBondContact O-N 3.45Å
227	G	97.2	Very high	97	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-91.9	-25.4	-179.9	0	0	0	0	0	115.3	T217 D219 G223	T217-G227 PolarHBondContact OG1-O 3.18Å; D219-G227 WeakPolarHBondContact OD1-CA 3.37Å; D219-G227 VanDerWaalsContact OD2-CA 3.28Å; D219-G227 WeakPolarHBondContact OD2-CA 3.25Å; G223-G227 PolarHBondContact O-N 2.98Å
228	S	97.8	Very high	97	Very high	14 Å²	14	34.3 Å²	34.3	10%	0.098	19%	0.185	C	C	.	.			trans	-73.9	139.6	175.6	-65.5	0	0	0	0	112.5	L224 T234	L224-S228 VanDerWaalsContact O-CB 3.22Å; L224-S228 WeakPolarHBondContact O-CB 3.38Å; L224-S228 PolarHBondContact O-N 3.32Å; L224-S228 VanDerWaalsContact O-N 3.13Å; L224-S228 PolarHBondContact O-OG 3.08Å; L224-S228 VanDerWaalsContact O-OG 3.04Å; S228-T234 WeakPolarHBondContact OG-CG2 3.35Å; S228-T234 PolarHBondContact OG-OG1 3.23Å
229	L	98.1	Very high	96.8	Very high	22 Å²	22	34.5 Å²	34.5	12%	0.115	19%	0.187	C	C	.	.			trans	-138	133	175.9	-174.1	73.9	0	0	0	111.2	F195 M198 R199 A202 G231 L232	F195-L229 HydrophobicContact CD1-CD1 4.09Å; M198-L229 HydrophobicContact CB-CD2 4.11Å; R199-L229 HydrophobicContact CG-CD1 3.75Å; R199-L229 HydrophobicContact CG-CD2 4.01Å; R199-L229 HydrophobicContact CG-CG 4.45Å; A202-L229 HydrophobicContact CB-CD2 3.98Å; L229-G231 PolarHBondContact O-N 3.1Å; L229-L232 HydrophobicContact CB-CD1 4.13Å; L229-L232 HydrophobicContact CB-CG 4.37Å; L229-L232 HydrophobicContact CD2-CD1 3.99Å; L229-L232 HydrophobicContact CD2-CG 4.28Å; L229-L232 PolarHBondContact O-N 2.9Å; L229-L232 VanDerWaalsContact O-N 3.07Å
230	Q	95.6	Very high	96.5	Very high	196 Å²	196	36 Å²	36	92%	0.916	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	131.3	174.4	-173.3	179.4	21.3	0	0	111.2
231	G	94.1	Very high	96.1	Very high	63 Å²	63	39.4 Å²	39.4	65%	0.649	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.2	-10.9	-178.3	0	0	0	0	0	114.5	L229	L229-G231 PolarHBondContact O-N 3.1Å
232	L	98.4	Very high	96	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.031	22%	0.219	C	C	.	.	S	Bend	trans	-105	141.6	166.3	-54.4	-174.4	0	0	0	108.9	V183 A202 L215 T217 L229 T234	V183-L232 HydrophobicContact CB-CD1 3.91Å; V183-L232 HydrophobicContact CG1-CD1 4.19Å; V183-L232 HydrophobicContact CG2-CD1 4.16Å; V183-L232 HydrophobicContact CG2-CD2 4.2Å; A202-L232 HydrophobicContact CB-CD1 4.2Å; A202-L232 HydrophobicContact CB-CD2 3.98Å; A202-L232 HydrophobicContact CB-CG 4.31Å; L215-L232 HydrophobicContact CB-CD2 3.54Å; L215-L232 HydrophobicContact CD1-CD2 4.12Å; L215-L232 HydrophobicContact CG-CD2 4.49Å; T217-L232 HydrophobicContact CG2-CB 4.2Å; T217-L232 HydrophobicContact CG2-CD1 3.62Å; L229-L232 HydrophobicContact CB-CD1 4.13Å; L229-L232 HydrophobicContact CB-CG 4.37Å; L229-L232 HydrophobicContact CD2-CD1 3.99Å; L229-L232 HydrophobicContact CD2-CG 4.28Å; L229-L232 PolarHBondContact O-N 2.9Å; L229-L232 VanDerWaalsContact O-N 3.07Å; L232-T234 PolarHBondContact O-N 2.7Å
233	Y	98.7	Very high	96	Very high	6 Å²	6	34.9 Å²	34.9	2%	0.024	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	123.9	175.1	-168.1	-104.5	0	0	0	110.1	V32 L214 L215 F216 T217 T235 E255 G258 P259 V261	V32-Y233 HydrophobicContact CG1-CD2 4.33Å; V32-Y233 HydrophobicContact CG1-CE2 3.86Å; V32-Y233 HydrophobicContact CG2-CD2 4.25Å; V32-Y233 HydrophobicContact CG2-CE2 4.47Å; L214-Y233 HydrophobicContact CD1-CG 4.48Å; L215-Y233 PolarHBondContact O-N 3.12Å; F216-Y233 CarbonylContact C-O 3.12Å; F216-Y233 WeakPolarHBondContact CA-O 3.29Å; F216-Y233 WeakPolarHBondContact CB-O 3.34Å; T217-Y233 PolarHBondContact N-O 3.09Å; Y233-T235 HydrophobicContact CD1-CG2 3.82Å; Y233-T235 HydrophobicContact CE1-CG2 4.12Å; Y233-E255 WeakPolarHBondContact CA-OE1 3.37Å; Y233-E255 HydrophobicContact CE2-CG 4.42Å; Y233-G258 WeakPolarHBondContact OH-CA 3.48Å; Y233-P259 WeakPolarHBondContact OH-CD 3.44Å; Y233-P259 VanDerWaalsContact OH-N 3.09Å; Y233-P259 PolarHBondContact OH-O 2.74Å; Y233-V261 HydrophobicContact CE1-CG2 4.13Å
234	T	98.7	Very high	96	Very high	2 Å²	2	36 Å²	36	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	134.7	178.8	-49.2	0	0	0	0	110.9	L224 S228 L232 L251 E255	L224-T234 HydrophobicContact CD2-CG2 3.49Å; L224-T234 VanDerWaalsContact CD2-CG2 3.49Å; S228-T234 WeakPolarHBondContact OG-CG2 3.35Å; S228-T234 PolarHBondContact OG-OG1 3.23Å; L232-T234 PolarHBondContact O-N 2.7Å; T234-L251 HydrophobicContact CG2-CD1 3.94Å; T234-E255 VanDerWaalsContact CB-CG 3.46Å; T234-E255 PolarHBondContact N-OE1 3.3Å; T234-E255 PolarHBondContact OG1-OE1 3.47Å
235	T	98.8	Very high	95.9	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	168.9	171.3	74.8	0	0	0	0	109.9	F216 T217 T218 D219 Y233 V261 S263	F216-T235 HydrophobicContact CB-CG2 4.32Å; F216-T235 HydrophobicContact CD2-CG2 3.72Å; F216-T235 HydrophobicContact CE2-CG2 4.45Å; F216-T235 HydrophobicContact CG-CG2 4.37Å; T217-T235 WeakPolarHBondContact O-CA 3.37Å; T217-T235 WeakPolarHBondContact O-CB 3.49Å; T217-T235 PolarHBondContact O-N 2.87Å; T217-T235 PolarHBondContact O-OG1 3.27Å; T218-T235 PolarHBondContact OG1-OG1 3.03Å; D219-T235 PolarHBondContact N-O 3.24Å; Y233-T235 HydrophobicContact CD1-CG2 3.82Å; Y233-T235 HydrophobicContact CE1-CG2 4.12Å; T235-V261 HydrophobicContact CG2-CB 3.74Å; T235-V261 HydrophobicContact CG2-CG1 3.64Å; T235-V261 HydrophobicContact CG2-CG2 4.24Å; T235-S263 WeakPolarHBondContact CB-OG 3.35Å; T235-S263 PolarHBondContact OG1-OG 3.06Å
236	V	98.7	Very high	95.8	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	162.9	178	-70	0	0	0	0	110.9	D219 L224 F238 I247 F248 L251 V261 N262 S263	D219-V236 VanDerWaalsContact O-CA 3.31Å; D219-V236 WeakPolarHBondContact O-CA 3.45Å; L224-V236 HydrophobicContact CD1-CG1 4.12Å; L224-V236 HydrophobicContact CD2-CG1 3.98Å; L224-V236 HydrophobicContact CG-CG1 4.43Å; V236-F238 HydrophobicContact CG2-CD1 4.06Å; V236-F238 HydrophobicContact CG2-CE1 3.89Å; V236-I247 HydrophobicContact CB-CG2 4.11Å; V236-I247 HydrophobicContact CG1-CG2 4.19Å; V236-I247 HydrophobicContact CG2-CG2 3.99Å; V236-F248 HydrophobicContact CG2-CD1 4.05Å; V236-F248 HydrophobicContact CG2-CE1 3.87Å; V236-L251 HydrophobicContact CG1-CB 3.98Å; V236-L251 HydrophobicContact CG1-CD1 4.15Å; V236-L251 HydrophobicContact CG1-CD2 4.42Å; V236-L251 HydrophobicContact CG1-CG 4.39Å; V236-L251 HydrophobicContact CG2-CD2 4.16Å; V236-V261 WeakPolarHBondContact CG2-O 3.27Å; V236-V261 PolarHBondContact N-O 3.38Å; V236-N262 CarbonylContact O-C 3.58Å; V236-N262 VanDerWaalsContact O-CA 3.27Å; V236-N262 WeakPolarHBondContact O-CA 3.41Å; V236-S263 PolarHBondContact O-N 2.91Å
237	D	98.2	Very high	95.8	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.011	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	154.7	162.3	56.4	73.2	0	0	0	110.9	T218 D219 G220 E264 Y266	T218-D237 HydrophobicContact CG2-CB 4.01Å; T218-D237 WeakPolarHBondContact CG2-OD2 3.48Å; D219-D237 PolarHBondContact O-N 3.31Å; G220-D237 WeakPolarHBondContact CA-OD1 3.41Å; G220-D237 PolarHBondContact N-OD2 3.39Å; D237-E264 HydrophobicContact CB-CB 3.67Å; D237-E264 HydrophobicContact CB-CG 4.31Å; D237-Y266 WeakPolarHBondContact CB-OH 3.42Å; D237-Y266 VanDerWaalsContact CG-OH 3.25Å; D237-Y266 PolarHBondContact OD1-OH 2.85Å
238	F	97.6	Very high	95.8	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.018	23%	0.231	C	C	.	.			trans	-176.7	157.9	172.1	56	-92.2	0	0	0	110.9	V236 D242 M244 I247 F248 N262 E264 Y265 M292	V236-F238 HydrophobicContact CG2-CD1 4.06Å; V236-F238 HydrophobicContact CG2-CE1 3.89Å; F238-D242 HydrophobicContact CB-CB 3.97Å; F238-M244 HydrophobicContact CE2-CB 3.92Å; F238-M244 HydrophobicContact CE2-CG 3.84Å; F238-M244 HydrophobicContact CZ-CB 4.19Å; F238-M244 HydrophobicContact CZ-CG 3.68Å; F238-I247 HydrophobicContact CB-CD1 3.62Å; F238-I247 HydrophobicContact CD1-CB 4.25Å; F238-I247 HydrophobicContact CD1-CD1 4.12Å; F238-I247 HydrophobicContact CD1-CG2 3.65Å; F238-I247 HydrophobicContact CE1-CG2 4.09Å; F238-I247 HydrophobicContact CG-CD1 3.88Å; F238-I247 HydrophobicContact CG-CG2 4.48Å; F238-F248 HydrophobicContact CE1-CD1 4.33Å; F238-F248 AromaticContact CE1-CE1 3.79Å; F238-F248 HydrophobicContact CE1-CE1 3.79Å; F238-F248 HydrophobicContact CE1-CE2 4.28Å; F238-F248 AromaticContact CE1-CZ 3.77Å; F238-F248 HydrophobicContact CE1-CZ 3.77Å; F238-F248 HydrophobicContact CZ-CE1 4.12Å; F238-F248 AromaticContact CZ-CE2 3.82Å; F238-F248 HydrophobicContact CZ-CE2 3.82Å; F238-F248 AromaticContact CZ-CZ 3.6Å; F238-F248 HydrophobicContact CZ-CZ 3.6Å; F238-N262 WeakPolarHBondContact CD1-ND2 3.32Å; F238-N262 WeakPolarHBondContact CD2-ND2 3.4Å; F238-N262 HydrophobicContact CE1-CB 3.88Å; F238-N262 WeakPolarHBondContact CE1-ND2 3.43Å; F238-N262 VanDerWaalsContact CE2-ND2 3.27Å; F238-N262 WeakPolarHBondContact CE2-ND2 3.38Å; F238-N262 WeakPolarHBondContact CG-ND2 3.28Å; F238-N262 HydrophobicContact CZ-CB 3.97Å; F238-N262 VanDerWaalsContact CZ-ND2 3.27Å; F238-N262 WeakPolarHBondContact CZ-ND2 3.26Å; F238-N262 PolarHBondContact O-ND2 3.3Å; F238-E264 PolarHBondContact N-O 3.42Å; F238-Y265 WeakPolarHBondContact O-CA 3.46Å; F238-Y265 WeakPolarHBondContact O-CD2 3.49Å; F238-M292 HydrophobicContact CE2-SD 3.92Å; F238-M292 HydrophobicContact CZ-CG 4.44Å; F238-M292 HydrophobicContact CZ-SD 3.81Å
239	G	95.8	Very high	95.8	Very high	5 Å²	5	43.3 Å²	43.3	5%	0.052	25%	0.252	C	S	.	.			trans	-99.1	-179.4	179.4	0	0	0	0	0	114.8	A241 D242	G239-A241 PolarHBondContact O-N 3.38Å; G239-D242 WeakPolarHBondContact CA-OD2 3.25Å; G239-D242 PolarHBondContact N-OD2 3.46Å; G239-D242 PolarHBondContact O-N 3.29Å
240	P	92	Very high	95.7	Very high	33 Å²	33	44.5 Å²	44.5	21%	0.214	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-17.7	-178.5	25.6	-35.8	0	0	0	114.6	Y265 Y266 A284 V285	P240-Y265 HydrophobicContact CB-CE2 4.17Å; P240-Y266 WeakPolarHBondContact CD-O 3.5Å; P240-A284 HydrophobicContact CB-CB 4.16Å; P240-V285 HydrophobicContact CG-CG2 4.21Å
241	A	86.9	Confident	95.8	Very high	75 Å²	75	35.1 Å²	35.1	62%	0.62	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-14	179.1	0	0	0	0	0	112.8	G239 M649	G239-A241 PolarHBondContact O-N 3.38Å; A241-M649 HydrophobicContact CB-CE 4.05Å
242	D	90.7	Very high	95.9	Very high	20 Å²	20	35 Å²	35	11%	0.107	19%	0.194	C	C	.	.	S	Bend	trans	-87.6	158.5	-171.1	-57.8	-63	0	0	0	112.9	F238 G239 M244 I247 S652	F238-D242 HydrophobicContact CB-CB 3.97Å; G239-D242 WeakPolarHBondContact CA-OD2 3.25Å; G239-D242 PolarHBondContact N-OD2 3.46Å; G239-D242 PolarHBondContact O-N 3.29Å; D242-M244 PolarHBondContact O-N 3.39Å; D242-I247 HydrophobicContact CB-CD1 3.77Å; D242-S652 WeakPolarHBondContact OD1-CB 3.47Å; D242-S652 PolarHBondContact OD1-N 3.03Å; D242-S652 PolarHBondContact OD1-OG 3.42Å; D242-S652 WeakPolarHBondContact OD2-CB 3.25Å; D242-S652 PolarHBondContact OD2-OG 3.11Å; D242-S652 VanDerWaalsContact OD2-OG 3.09Å
243	N	93.1	Very high	95.8	Very high	97 Å²	97	42 Å²	42	52%	0.519	22%	0.224	S	C	.	.			trans	-81.1	86.6	177.6	-171.3	-31.1	0	0	0	111	T245 K246 I247	N243-T245 VanDerWaalsContact C-N 3.31Å; N243-T245 PolarHBondContact O-N 2.89Å; N243-T245 PolarHBondContact OD1-N 2.95Å; N243-K246 HydrophobicContact CB-CB 4.02Å; N243-K246 WeakPolarHBondContact O-CB 3.39Å; N243-K246 PolarHBondContact O-N 2.72Å; N243-K246 VanDerWaalsContact O-N 3.12Å; N243-K246 PolarHBondContact OD1-N 2.76Å; N243-K246 VanDerWaalsContact OD1-N 3.07Å; N243-I247 WeakPolarHBondContact O-CG1 3.37Å; N243-I247 PolarHBondContact O-N 2.76Å
244	M	95	Very high	95.7	Very high	28 Å²	28	46 Å²	46	14%	0.138	24%	0.24	C	C	.	.	H	α-helix	trans	-48.1	-47	178.9	179.2	-174.8	70.4	0	0	113.6	F238 D242 K246 I247 F248 N291 M292 L295	F238-M244 HydrophobicContact CE2-CB 3.92Å; F238-M244 HydrophobicContact CE2-CG 3.84Å; F238-M244 HydrophobicContact CZ-CB 4.19Å; F238-M244 HydrophobicContact CZ-CG 3.68Å; D242-M244 PolarHBondContact O-N 3.39Å; M244-K246 VanDerWaalsContact C-N 3.35Å; M244-K246 PolarHBondContact O-N 2.89Å; M244-I247 PolarHBondContact O-N 3.22Å; M244-F248 HydrophobicContact CG-CD2 3.56Å; M244-F248 HydrophobicContact CG-CE2 3.48Å; M244-F248 VanDerWaalsContact CG-CE2 3.48Å; M244-F248 PolarHBondContact O-N 2.97Å; M244-F248 HydrophobicContact SD-CD2 4.36Å; M244-F248 HydrophobicContact SD-CE2 3.91Å; M244-N291 HydrophobicContact CE-CB 3.74Å; M244-N291 HydrophobicContact SD-CB 4.28Å; M244-M292 HydrophobicContact CG-CG 4.41Å; M244-M292 HydrophobicContact SD-CB 4.29Å; M244-M292 HydrophobicContact SD-CG 3.33Å; M244-M292 WeakPolarHBondContact SD-CG 3.44Å; M244-L295 HydrophobicContact CE-CD1 3.44Å; M244-L295 VanDerWaalsContact CE-CD1 3.44Å; M244-L295 HydrophobicContact CE-CG 4.45Å; M244-L295 HydrophobicContact SD-CD1 4.01Å
245	T	93.9	Very high	95.7	Very high	92 Å²	92	46.5 Å²	46.5	56%	0.564	24%	0.242	S	C	*	.	H	α-helix	trans	-62.3	-43.7	-178	-55.3	0	0	0	0	111.2	N243 I247 T249	N243-T245 VanDerWaalsContact C-N 3.31Å; N243-T245 PolarHBondContact O-N 2.89Å; N243-T245 PolarHBondContact OD1-N 2.95Å; T245-I247 VanDerWaalsContact C-N 3.35Å; T245-T249 VanDerWaalsContact O-CB 3.3Å; T245-T249 WeakPolarHBondContact O-CB 3.44Å; T245-T249 PolarHBondContact O-N 3.15Å; T245-T249 PolarHBondContact O-OG1 3.04Å
246	K	95.8	Very high	95.6	Very high	151 Å²	151	50.2 Å²	50.2	66%	0.657	27%	0.266	S	S	*	.	H	α-helix	trans	-62.1	-43.8	176.7	-176.5	-175.4	176	-170.1	0	111.1	N243 M244 T249 L250	N243-K246 HydrophobicContact CB-CB 4.02Å; N243-K246 WeakPolarHBondContact O-CB 3.39Å; N243-K246 PolarHBondContact O-N 2.72Å; N243-K246 VanDerWaalsContact O-N 3.12Å; N243-K246 PolarHBondContact OD1-N 2.76Å; N243-K246 VanDerWaalsContact OD1-N 3.07Å; M244-K246 VanDerWaalsContact C-N 3.35Å; M244-K246 PolarHBondContact O-N 2.89Å; K246-T249 PolarHBondContact O-N 3.34Å; K246-L250 PolarHBondContact O-N 3.41Å
247	I	97.1	Very high	95.5	Very high	10 Å²	10	55.4 Å²	55.4	5%	0.051	29%	0.29	C	S	.	.	H	α-helix	trans	-69	-46.7	-176.4	-64.5	169.9	0	0	0	111.1	P221 V236 F238 D242 N243 M244 T245 T249 L250 L251	P221-I247 HydrophobicContact CB-CG1 4.21Å; P221-I247 HydrophobicContact CB-CG2 4.37Å; P221-I247 HydrophobicContact CG-CD1 4.3Å; P221-I247 HydrophobicContact CG-CG1 4.17Å; V236-I247 HydrophobicContact CB-CG2 4.11Å; V236-I247 HydrophobicContact CG1-CG2 4.19Å; V236-I247 HydrophobicContact CG2-CG2 3.99Å; F238-I247 HydrophobicContact CB-CD1 3.62Å; F238-I247 HydrophobicContact CD1-CB 4.25Å; F238-I247 HydrophobicContact CD1-CD1 4.12Å; F238-I247 HydrophobicContact CD1-CG2 3.65Å; F238-I247 HydrophobicContact CE1-CG2 4.09Å; F238-I247 HydrophobicContact CG-CD1 3.88Å; F238-I247 HydrophobicContact CG-CG2 4.48Å; D242-I247 HydrophobicContact CB-CD1 3.77Å; N243-I247 WeakPolarHBondContact O-CG1 3.37Å; N243-I247 PolarHBondContact O-N 2.76Å; M244-I247 PolarHBondContact O-N 3.22Å; T245-I247 VanDerWaalsContact C-N 3.35Å; I247-T249 VanDerWaalsContact C-N 3.31Å; I247-T249 PolarHBondContact O-N 2.79Å; I247-L250 WeakPolarHBondContact O-CB 3.18Å; I247-L250 PolarHBondContact O-N 2.97Å; I247-L250 VanDerWaalsContact O-N 3.08Å; I247-L251 PolarHBondContact O-N 2.89Å
248	F	97.3	Very high	95.4	Very high	9 Å²	9	55.3 Å²	55.3	4%	0.039	29%	0.289	C	S	.	.	H	α-helix	trans	-65.7	-33.1	175	-74.4	-40.2	0	0	0	113.1	V236 F238 M244 L250 L251 R252 L260 N262 M292 L295 A297	V236-F248 HydrophobicContact CG2-CD1 4.05Å; V236-F248 HydrophobicContact CG2-CE1 3.87Å; F238-F248 HydrophobicContact CE1-CD1 4.33Å; F238-F248 AromaticContact CE1-CE1 3.79Å; F238-F248 HydrophobicContact CE1-CE1 3.79Å; F238-F248 HydrophobicContact CE1-CE2 4.28Å; F238-F248 AromaticContact CE1-CZ 3.77Å; F238-F248 HydrophobicContact CE1-CZ 3.77Å; F238-F248 HydrophobicContact CZ-CE1 4.12Å; F238-F248 AromaticContact CZ-CE2 3.82Å; F238-F248 HydrophobicContact CZ-CE2 3.82Å; F238-F248 AromaticContact CZ-CZ 3.6Å; F238-F248 HydrophobicContact CZ-CZ 3.6Å; M244-F248 HydrophobicContact CG-CD2 3.56Å; M244-F248 HydrophobicContact CG-CE2 3.48Å; M244-F248 VanDerWaalsContact CG-CE2 3.48Å; M244-F248 PolarHBondContact O-N 2.97Å; M244-F248 HydrophobicContact SD-CD2 4.36Å; M244-F248 HydrophobicContact SD-CE2 3.91Å; F248-L250 VanDerWaalsContact C-N 3.28Å; F248-L250 PolarHBondContact O-N 3.16Å; F248-L251 HydrophobicContact CD1-CD2 4.12Å; F248-L251 PolarHBondContact O-N 3.28Å; F248-R252 WeakPolarHBondContact O-CG 3.33Å; F248-R252 PolarHBondContact O-N 3.31Å; F248-R252 VanDerWaalsContact O-N 3.09Å; F248-L260 HydrophobicContact CB-CD1 4.32Å; F248-L260 HydrophobicContact CB-CD2 3.99Å; F248-L260 HydrophobicContact CD1-CB 4.21Å; F248-L260 HydrophobicContact CD1-CD1 4.5Å; F248-L260 HydrophobicContact CD1-CD2 3.85Å; F248-L260 HydrophobicContact CD1-CG 4.41Å; F248-L260 HydrophobicContact CD2-CD1 4.02Å; F248-L260 HydrophobicContact CE1-CB 4.04Å; F248-L260 HydrophobicContact CE2-CD1 4.42Å; F248-L260 HydrophobicContact CG-CD1 4.07Å; F248-L260 HydrophobicContact CG-CD2 3.97Å; F248-L260 HydrophobicContact CG-CG 4.44Å; F248-L260 HydrophobicContact CZ-CB 4.23Å; F248-N262 HydrophobicContact CZ-CB 4.38Å; F248-M292 HydrophobicContact CE2-CG 4.29Å; F248-L295 HydrophobicContact CD2-CD1 4.21Å; F248-L295 HydrophobicContact CE2-CD1 4.38Å; F248-A297 HydrophobicContact CE2-CB 4.28Å; F248-A297 HydrophobicContact CZ-CB 4.04Å
249	T	96.4	Very high	95.4	Very high	88 Å²	88	55.2 Å²	55.2	54%	0.54	29%	0.29	S	S	.	.	H	α-helix	trans	-63	-37.3	171.6	-58.3	0	0	0	0	111.3	T245 K246 I247	T245-T249 VanDerWaalsContact O-CB 3.3Å; T245-T249 WeakPolarHBondContact O-CB 3.44Å; T245-T249 PolarHBondContact O-N 3.15Å; T245-T249 PolarHBondContact O-OG1 3.04Å; K246-T249 PolarHBondContact O-N 3.34Å; I247-T249 VanDerWaalsContact C-N 3.31Å; I247-T249 PolarHBondContact O-N 2.79Å
250	L	96.6	Very high	95.6	Very high	46 Å²	46	56.2 Å²	56.2	24%	0.241	29%	0.294	C	S	.	.	H	α-helix	trans	-70	-42.7	175.7	-176.1	61.5	0	0	0	111.8	P221 L224 K246 I247 F248 R252 K253	P221-L250 HydrophobicContact CB-CD2 3.78Å; P221-L250 WeakPolarHBondContact O-CD2 3.37Å; L224-L250 HydrophobicContact CD1-CD2 4.02Å; L224-L250 HydrophobicContact CD1-CG 3.84Å; K246-L250 PolarHBondContact O-N 3.41Å; I247-L250 WeakPolarHBondContact O-CB 3.18Å; I247-L250 PolarHBondContact O-N 2.97Å; I247-L250 VanDerWaalsContact O-N 3.08Å; F248-L250 VanDerWaalsContact C-N 3.28Å; F248-L250 PolarHBondContact O-N 3.16Å; L250-R252 PolarHBondContact O-N 3.01Å; L250-K253 HydrophobicContact CD1-CD 3.98Å; L250-K253 WeakPolarHBondContact O-CB 3.08Å; L250-K253 PolarHBondContact O-N 2.98Å
251	L	97.6	Very high	95.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-53.3	-41.5	174	172.4	59.4	0	0	0	111.3	T234 V236 I247 F248 K253 Y254 E255 L260	T234-L251 HydrophobicContact CG2-CD1 3.94Å; V236-L251 HydrophobicContact CG1-CB 3.98Å; V236-L251 HydrophobicContact CG1-CD1 4.15Å; V236-L251 HydrophobicContact CG1-CD2 4.42Å; V236-L251 HydrophobicContact CG1-CG 4.39Å; V236-L251 HydrophobicContact CG2-CD2 4.16Å; I247-L251 PolarHBondContact O-N 2.89Å; F248-L251 HydrophobicContact CD1-CD2 4.12Å; F248-L251 PolarHBondContact O-N 3.28Å; L251-K253 PolarHBondContact O-N 2.63Å; L251-Y254 PolarHBondContact O-N 3.38Å; L251-E255 HydrophobicContact CD1-CB 4.24Å; L251-E255 HydrophobicContact CD1-CG 4.33Å; L251-E255 PolarHBondContact O-N 2.95Å; L251-L260 HydrophobicContact CD2-CD2 4.31Å
252	R	97.3	Very high	96.5	Very high	59 Å²	59	51.1 Å²	51.1	22%	0.223	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-13.8	178.7	-73.3	-68.7	-177.5	-123.9	11.8	114.8	D37 F248 L250 E255 P256 G258 L260	D37-R252 IonicContact OD1-NH2 3.75Å; D37-R252 IonicContact OD2-CZ 2.77Å; D37-R252 IonicContact OD2-NH2 3.74Å; D37-R252 PolarHBondContact OD2-NH2 2.79Å; F248-R252 WeakPolarHBondContact O-CG 3.33Å; F248-R252 PolarHBondContact O-N 3.31Å; F248-R252 VanDerWaalsContact O-N 3.09Å; L250-R252 PolarHBondContact O-N 3.01Å; R252-E255 WeakPolarHBondContact CD-O 3.43Å; R252-E255 PolarHBondContact NH1-O 3.31Å; R252-P256 WeakPolarHBondContact CD-O 3.28Å; R252-P256 VanDerWaalsContact O-CA 3.26Å; R252-P256 WeakPolarHBondContact O-CA 3.36Å; R252-G258 VanDerWaalsContact CZ-O 3.26Å; R252-G258 PolarHBondContact NH1-O 3.3Å; R252-G258 PolarHBondContact NH2-O 2.94Å; R252-L260 VanDerWaalsContact CZ-CD2 3.46Å
253	K	96.6	Very high	96.8	Very high	155 Å²	155	50.1 Å²	50.1	67%	0.674	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-27.5	170.3	-59.6	-171	-173.8	173.9	0	113.1	L250 L251	L250-K253 HydrophobicContact CD1-CD 3.98Å; L250-K253 WeakPolarHBondContact O-CB 3.08Å; L250-K253 PolarHBondContact O-N 2.98Å; L251-K253 PolarHBondContact O-N 2.63Å
254	Y	96.8	Very high	97.1	Very high	89 Å²	89	45.8 Å²	45.8	35%	0.349	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-32.5	-178.5	-62.7	-89.5	0	0	0	111.6	L224 K225 L251	L224-Y254 HydrophobicContact CB-CD2 3.89Å; L224-Y254 HydrophobicContact CB-CE1 4.38Å; L224-Y254 HydrophobicContact CB-CE2 3.54Å; L224-Y254 HydrophobicContact CB-CG 4.44Å; L224-Y254 HydrophobicContact CD1-CD2 3.98Å; L224-Y254 HydrophobicContact CD1-CE2 4.02Å; L224-Y254 HydrophobicContact CG-CD2 4.38Å; L224-Y254 HydrophobicContact CG-CE2 4.37Å; K225-Y254 WeakPolarHBondContact CA-OH 3.45Å; K225-Y254 PolarHBondContact N-OH 3.01Å; L251-Y254 PolarHBondContact O-N 3.38Å
255	E	97.1	Very high	97.3	Very high	12 Å²	12	44.5 Å²	44.5	6%	0.056	22%	0.219	C	C	.	.			trans	-128.2	80.8	173.3	-68.4	-70.1	169.7	0	0	110.2	R34 Y233 T234 L251 R252 H257	R34-E255 IonicContact CZ-OE2 2.83Å; R34-E255 VanDerWaalsContact CZ-OE2 3.24Å; R34-E255 IonicContact NH1-OE2 3.24Å; R34-E255 PolarHBondContact NH1-OE2 3.49Å; R34-E255 IonicContact NH2-OE1 3.56Å; R34-E255 IonicContact NH2-OE2 3.9Å; R34-E255 PolarHBondContact NH2-OE2 3.14Å; Y233-E255 WeakPolarHBondContact CA-OE1 3.37Å; Y233-E255 HydrophobicContact CE2-CG 4.42Å; T234-E255 VanDerWaalsContact CB-CG 3.46Å; T234-E255 PolarHBondContact N-OE1 3.3Å; T234-E255 PolarHBondContact OG1-OE1 3.47Å; L251-E255 HydrophobicContact CD1-CB 4.24Å; L251-E255 HydrophobicContact CD1-CG 4.33Å; L251-E255 PolarHBondContact O-N 2.95Å; R252-E255 WeakPolarHBondContact CD-O 3.43Å; R252-E255 PolarHBondContact NH1-O 3.31Å; E255-H257 PolarHBondContact O-N 3.3Å; E255-H257 VanDerWaalsContact O-N 3.16Å
256	P	96.8	Very high	97.5	Very high	79 Å²	79	40.3 Å²	40.3	51%	0.513	19%	0.193	S	C	.	.	S	Bend	trans	-57.8	-29.4	-177.4	-26.4	35.4	0	0	0	114.1	R252	R252-P256 WeakPolarHBondContact CD-O 3.28Å; R252-P256 VanDerWaalsContact O-CA 3.26Å; R252-P256 WeakPolarHBondContact O-CA 3.36Å
257	H	96.8	Very high	97.6	Very high	109 Å²	109	33.1 Å²	33.1	51%	0.505	16%	0.162	S	C	.	.	S	Bend	trans	-133.7	153.7	-176.8	-67.9	-63.2	0	0	0	110.9	R34 D37 E255	R34-H257 HydrophobicContact CB-CB 3.89Å; R34-H257 HydrophobicContact CG-CB 4.41Å; R34-H257 PolarHBondContact NH1-O 3.47Å; R34-H257 WeakPolarHBondContact O-CB 3.43Å; D37-H257 WeakPolarHBondContact OD1-CA 3.22Å; E255-H257 PolarHBondContact O-N 3.3Å; E255-H257 VanDerWaalsContact O-N 3.16Å
258	G	97.1	Very high	97.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	108.7	166.2	-175.3	0	0	0	0	0	113.1	D37 Y233 R252	D37-G258 PolarHBondContact OD1-N 3.15Å; Y233-G258 WeakPolarHBondContact OH-CA 3.48Å; R252-G258 VanDerWaalsContact CZ-O 3.26Å; R252-G258 PolarHBondContact NH1-O 3.3Å; R252-G258 PolarHBondContact NH2-O 2.94Å
259	P	97.8	Very high	97.7	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.019	16%	0.163	C	C	.	.			trans	-61.2	138.4	-176	24.1	-31.4	0	0	0	112.8	D37 F39 Y233 V261	D37-P259 VanDerWaalsContact O-CA 3.25Å; D37-P259 WeakPolarHBondContact O-CA 3.42Å; F39-P259 HydrophobicContact CD1-CG 3.75Å; F39-P259 HydrophobicContact CD2-CB 4.01Å; F39-P259 HydrophobicContact CD2-CG 3.61Å; F39-P259 HydrophobicContact CE1-CG 3.51Å; F39-P259 HydrophobicContact CE2-CB 3.83Å; F39-P259 HydrophobicContact CE2-CG 3.36Å; F39-P259 HydrophobicContact CG-CG 3.8Å; F39-P259 HydrophobicContact CZ-CB 4.24Å; F39-P259 HydrophobicContact CZ-CG 3.31Å; Y233-P259 WeakPolarHBondContact OH-CD 3.44Å; Y233-P259 VanDerWaalsContact OH-N 3.09Å; Y233-P259 PolarHBondContact OH-O 2.74Å; P259-V261 PolarHBondContact O-N 2.88Å
260	L	98.5	Very high	97.7	Very high	26 Å²	26	29.9 Å²	29.9	14%	0.136	14%	0.139	C	C	.	.			trans	-64.1	134.4	167	-65	176.7	0	0	0	109.4	F248 L251 R252 L295 A297 S298	F248-L260 HydrophobicContact CB-CD1 4.32Å; F248-L260 HydrophobicContact CB-CD2 3.99Å; F248-L260 HydrophobicContact CD1-CB 4.21Å; F248-L260 HydrophobicContact CD1-CD1 4.5Å; F248-L260 HydrophobicContact CD1-CD2 3.85Å; F248-L260 HydrophobicContact CD1-CG 4.41Å; F248-L260 HydrophobicContact CD2-CD1 4.02Å; F248-L260 HydrophobicContact CE1-CB 4.04Å; F248-L260 HydrophobicContact CE2-CD1 4.42Å; F248-L260 HydrophobicContact CG-CD1 4.07Å; F248-L260 HydrophobicContact CG-CD2 3.97Å; F248-L260 HydrophobicContact CG-CG 4.44Å; F248-L260 HydrophobicContact CZ-CB 4.23Å; L251-L260 HydrophobicContact CD2-CD2 4.31Å; R252-L260 VanDerWaalsContact CZ-CD2 3.46Å; L260-L295 HydrophobicContact CD1-CB 4.49Å; L260-A297 HydrophobicContact CB-CB 3.69Å; L260-A297 CarbonylContact O-C 3.52Å; L260-A297 VanDerWaalsContact O-CA 3.25Å; L260-A297 WeakPolarHBondContact O-CA 3.34Å; L260-S298 PolarHBondContact O-N 2.75Å
261	V	98.8	Very high	97.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	124.9	-179.8	175.3	0	0	0	0	109.8	F39 Y48 Y233 T235 V236 P259 S263 S298	F39-V261 HydrophobicContact CE2-CG2 3.97Å; F39-V261 HydrophobicContact CZ-CG2 3.89Å; Y48-V261 WeakPolarHBondContact OH-CG1 3.25Å; Y233-V261 HydrophobicContact CE1-CG2 4.13Å; T235-V261 HydrophobicContact CG2-CB 3.74Å; T235-V261 HydrophobicContact CG2-CG1 3.64Å; T235-V261 HydrophobicContact CG2-CG2 4.24Å; V236-V261 WeakPolarHBondContact CG2-O 3.27Å; V236-V261 PolarHBondContact N-O 3.38Å; P259-V261 PolarHBondContact O-N 2.88Å; V261-S263 WeakPolarHBondContact CG1-OG 3.4Å; V261-S298 WeakPolarHBondContact CA-O 3.46Å
262	N	98.8	Very high	97.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	108	157.4	-176.7	-18.1	0	0	0	108.9	V236 F238 F248 E264 Y265 M292 S298 V299 N300	V236-N262 CarbonylContact O-C 3.58Å; V236-N262 VanDerWaalsContact O-CA 3.27Å; V236-N262 WeakPolarHBondContact O-CA 3.41Å; F238-N262 WeakPolarHBondContact CD1-ND2 3.32Å; F238-N262 WeakPolarHBondContact CD2-ND2 3.4Å; F238-N262 HydrophobicContact CE1-CB 3.88Å; F238-N262 WeakPolarHBondContact CE1-ND2 3.43Å; F238-N262 VanDerWaalsContact CE2-ND2 3.27Å; F238-N262 WeakPolarHBondContact CE2-ND2 3.38Å; F238-N262 WeakPolarHBondContact CG-ND2 3.28Å; F238-N262 HydrophobicContact CZ-CB 3.97Å; F238-N262 VanDerWaalsContact CZ-ND2 3.27Å; F238-N262 WeakPolarHBondContact CZ-ND2 3.26Å; F238-N262 PolarHBondContact O-ND2 3.3Å; F248-N262 HydrophobicContact CZ-CB 4.38Å; N262-E264 PolarHBondContact OD1-N 3.48Å; N262-E264 PolarHBondContact OD1-O 3.02Å; N262-E264 VanDerWaalsContact OD1-O 3.08Å; N262-Y265 PolarHBondContact OD1-N 3.19Å; N262-M292 HydrophobicContact CB-SD 3.81Å; N262-S298 PolarHBondContact N-O 3.36Å; N262-V299 CarbonylContact O-C 3.33Å; N262-V299 WeakPolarHBondContact O-CA 3.46Å; N262-N300 PolarHBondContact O-N 3.2Å
263	S	98.8	Very high	97.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-16.5	-176.7	-69.3	0	0	0	0	113.3	Q79 T218 T235 V236 V261 N300	Q79-S263 PolarHBondContact NE2-O 2.94Å; T218-S263 WeakPolarHBondContact OG1-CB 3.43Å; T218-S263 PolarHBondContact OG1-OG 3.38Å; T235-S263 WeakPolarHBondContact CB-OG 3.35Å; T235-S263 PolarHBondContact OG1-OG 3.06Å; V236-S263 PolarHBondContact O-N 2.91Å; V261-S263 WeakPolarHBondContact CG1-OG 3.4Å; S263-N300 WeakPolarHBondContact O-CB 3.47Å; S263-N300 PolarHBondContact O-ND2 3.24Å
264	E	98.6	Very high	97.8	Very high	6 Å²	6	19.4 Å²	19.4	3%	0.028	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	87.9	171.9	-55	-176.1	-146.4	0	0	111.4	Y81 R119 D237 F238 N262 Y266 Y302	Y81-E264 PolarHBondContact OH-OE1 3.39Å; Y81-E264 VanDerWaalsContact OH-OE1 3.1Å; R119-E264 IonicContact CZ-OE1 3.7Å; R119-E264 VanDerWaalsContact NH1-CD 3.3Å; R119-E264 IonicContact NH1-OE1 3.57Å; R119-E264 PolarHBondContact NH1-OE1 2.95Å; R119-E264 IonicContact NH2-OE1 3.64Å; R119-E264 PolarHBondContact NH2-OE1 3.27Å; D237-E264 HydrophobicContact CB-CB 3.67Å; D237-E264 HydrophobicContact CB-CG 4.31Å; F238-E264 PolarHBondContact N-O 3.42Å; N262-E264 PolarHBondContact OD1-N 3.48Å; N262-E264 PolarHBondContact OD1-O 3.02Å; N262-E264 VanDerWaalsContact OD1-O 3.08Å; E264-Y266 HydrophobicContact CB-CD1 4.33Å; E264-Y266 HydrophobicContact CB-CE1 3.61Å; E264-Y266 PolarHBondContact O-N 3.32Å; E264-Y302 HydrophobicContact CB-CG 4.34Å; E264-Y302 HydrophobicContact CG-CD2 4.34Å; E264-Y302 HydrophobicContact CG-CG 4.38Å
265	Y	98.8	Very high	97.7	Very high	1 Å²	1	18.2 Å²	18.2	0%	0.004	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	105	170.3	179.2	-123.3	0	0	0	110.6	F238 P240 N262 T267 V285 G288 L289 M292 V299 N300 M301 Y302	F238-Y265 WeakPolarHBondContact O-CA 3.46Å; F238-Y265 WeakPolarHBondContact O-CD2 3.49Å; P240-Y265 HydrophobicContact CB-CE2 4.17Å; N262-Y265 PolarHBondContact OD1-N 3.19Å; Y265-T267 PolarHBondContact O-N 3.43Å; Y265-V285 HydrophobicContact CE1-CG1 3.73Å; Y265-V285 WeakPolarHBondContact CE1-O 3.42Å; Y265-V285 VanDerWaalsContact OH-C 3.29Å; Y265-V285 VanDerWaalsContact OH-CA 3.25Å; Y265-V285 WeakPolarHBondContact OH-CA 3.49Å; Y265-V285 PolarHBondContact OH-O 3Å; Y265-G288 VanDerWaalsContact OH-CA 3.27Å; Y265-G288 WeakPolarHBondContact OH-CA 3.17Å; Y265-L289 HydrophobicContact CE1-CB 4.17Å; Y265-L289 PolarHBondContact OH-N 2.92Å; Y265-M292 HydrophobicContact CD1-CE 3.72Å; Y265-M292 HydrophobicContact CD2-CE 3.52Å; Y265-M292 HydrophobicContact CD2-SD 4.45Å; Y265-M292 HydrophobicContact CE1-CE 3.94Å; Y265-M292 HydrophobicContact CE2-CE 3.76Å; Y265-M292 HydrophobicContact CG-CE 3.49Å; Y265-M292 VanDerWaalsContact CG-CE 3.49Å; Y265-V299 HydrophobicContact CD1-CG2 4.39Å; Y265-V299 HydrophobicContact CG-CG2 4.29Å; Y265-N300 PolarHBondContact N-O 3.39Å; Y265-M301 HydrophobicContact CD1-CG 4.01Å; Y265-M301 WeakPolarHBondContact O-CA 3.22Å; Y265-Y302 PolarHBondContact O-N 3.1Å
266	Y	98.5	Very high	97.7	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.016	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	101.4	-171.1	-51.3	-57.3	0	0	0	113.1	D237 P240 E264 G268 W269 Y302 Y331 H654	D237-Y266 WeakPolarHBondContact CB-OH 3.42Å; D237-Y266 VanDerWaalsContact CG-OH 3.25Å; D237-Y266 PolarHBondContact OD1-OH 2.85Å; P240-Y266 WeakPolarHBondContact CD-O 3.5Å; E264-Y266 HydrophobicContact CB-CD1 4.33Å; E264-Y266 HydrophobicContact CB-CE1 3.61Å; E264-Y266 PolarHBondContact O-N 3.32Å; Y266-G268 PolarHBondContact O-N 3.14Å; Y266-W269 AromaticContact CD1-CZ3 3.92Å; Y266-W269 HydrophobicContact CD1-CZ3 3.92Å; Y266-W269 AromaticContact CD2-CZ3 3.81Å; Y266-W269 HydrophobicContact CD2-CZ3 3.81Å; Y266-W269 HydrophobicContact CE1-CZ3 4.28Å; Y266-W269 HydrophobicContact CE2-CZ3 4.21Å; Y266-W269 HydrophobicContact CG-CE3 4.24Å; Y266-W269 AromaticContact CG-CZ3 3.69Å; Y266-W269 HydrophobicContact CG-CZ3 3.69Å; Y266-Y302 CarbonylContact C-O 3.58Å; Y266-Y302 WeakPolarHBondContact CA-O 3.33Å; Y266-Y302 HydrophobicContact CD1-CD1 4.12Å; Y266-Y302 HydrophobicContact CE1-CD1 4.31Å; Y266-Y331 WeakPolarHBondContact CD1-OH 3.33Å; Y266-H654 AromaticContact CZ-CD2 3.85Å; Y266-H654 AromaticContact CZ-NE2 3.5Å; Y266-H654 PolarHBondContact OH-CD2 3.39Å; Y266-H654 PolarHBondContact OH-NE2 3.07Å
267	T	98.4	Very high	97.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-75.5	-9.4	179.8	58.6	0	0	0	0	113.8	Y265 V285 M301 Y302 M303 P334 K344	Y265-T267 PolarHBondContact O-N 3.43Å; T267-V285 HydrophobicContact CG2-CG1 4.24Å; T267-M301 HydrophobicContact CG2-CB 3.64Å; T267-M301 HydrophobicContact CG2-CG 3.89Å; T267-Y302 PolarHBondContact N-O 3.17Å; T267-Y302 PolarHBondContact OG1-O 3.29Å; T267-M303 PolarHBondContact OG1-N 3.28Å; T267-M303 PolarHBondContact OG1-O 2.83Å; T267-P334 HydrophobicContact CG2-CG 4.18Å; T267-K344 PolarHBondContact O-NZ 3.07Å
268	G	98	Very high	97.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	-171	-152.8	-163.1	0	0	0	0	0	109.6	Y266 R280 Y331	Y266-G268 PolarHBondContact O-N 3.14Å; G268-R280 VanDerWaalsContact CA-CG 3.48Å; G268-Y331 CarbonylContact C-O 3.58Å; G268-Y331 WeakPolarHBondContact CA-O 3.43Å
269	W	98	Very high	97.6	Very high	32 Å²	32	20.3 Å²	20.3	12%	0.121	11%	0.108	C	C	.	.			trans	-162.3	166.2	172.2	-157	-110.5	0	0	0	111.9	Y266 Y331 H654	Y266-W269 AromaticContact CD1-CZ3 3.92Å; Y266-W269 HydrophobicContact CD1-CZ3 3.92Å; Y266-W269 AromaticContact CD2-CZ3 3.81Å; Y266-W269 HydrophobicContact CD2-CZ3 3.81Å; Y266-W269 HydrophobicContact CE1-CZ3 4.28Å; Y266-W269 HydrophobicContact CE2-CZ3 4.21Å; Y266-W269 HydrophobicContact CG-CE3 4.24Å; Y266-W269 AromaticContact CG-CZ3 3.69Å; Y266-W269 HydrophobicContact CG-CZ3 3.69Å; W269-Y331 VanDerWaalsContact C-CD2 3.42Å; W269-Y331 VanDerWaalsContact C-CE2 3.47Å; W269-Y331 PolarHBondContact N-O 2.89Å; W269-Y331 VanDerWaalsContact N-O 3.09Å; W269-Y331 WeakPolarHBondContact O-CA 3.08Å; W269-H654 AromaticContact CH2-CD2 3.85Å; W269-H654 AromaticContact CH2-NE2 3.3Å; W269-H654 VanDerWaalsContact CH2-NE2 3.3Å; W269-H654 WeakPolarHBondContact CH2-NE2 3.36Å; W269-H654 AromaticContact CZ3-NE2 3.97Å
270	L	96.9	Very high	97.4	Very high	7 Å²	7	23.7 Å²	23.7	4%	0.037	12%	0.121	C	C	.	.			trans	-75.4	164.9	175.9	68.8	122.4	0	0	0	113.3	E127 Y272 S278 I325 Y329 Y331	E127-L270 HydrophobicContact CG-CB 3.76Å; E127-L270 HydrophobicContact CG-CD1 3.78Å; E127-L270 HydrophobicContact CG-CD2 3.68Å; E127-L270 HydrophobicContact CG-CG 3.93Å; L270-Y272 HydrophobicContact CD1-CD1 4.03Å; L270-Y272 HydrophobicContact CD1-CD2 4.44Å; L270-Y272 HydrophobicContact CD1-CE1 3.4Å; L270-Y272 HydrophobicContact CD1-CE2 3.89Å; L270-S278 PolarHBondContact O-OG 3.22Å; L270-I325 HydrophobicContact CD1-CD1 3.98Å; L270-I325 HydrophobicContact CD1-CG1 3.97Å; L270-Y329 HydrophobicContact CB-CE2 4.27Å; L270-Y331 HydrophobicContact CB-CE2 4.47Å
271	D	98.1	Very high	97.4	Very high	10 Å²	10	25.9 Å²	25.9	5%	0.053	14%	0.138	C	C	.	.			trans	-119.3	144.1	178.8	-79.1	-8.5	0	0	0	112	H277 S278 I325 T326 P582	D271-H277 WeakPolarHBondContact OD1-CA 3.47Å; D271-H277 IonicContact OD1-ND1 3.83Å; D271-H277 IonicContact OD2-CE1 2.76Å; D271-H277 IonicContact OD2-CG 2.98Å; D271-H277 IonicContact OD2-ND1 2.67Å; D271-H277 PolarHBondContact OD2-ND1 3.04Å; D271-S278 WeakPolarHBondContact OD1-CB 3.27Å; D271-S278 PolarHBondContact OD1-N 2.94Å; D271-S278 PolarHBondContact OD1-OG 2.72Å; D271-I325 WeakPolarHBondContact O-CA 3.44Å; D271-I325 WeakPolarHBondContact O-CG2 3.12Å; D271-T326 HydrophobicContact CB-CG2 3.85Å; D271-T326 WeakPolarHBondContact CB-OG1 3.24Å; D271-T326 PolarHBondContact O-N 3.4Å; D271-T326 VanDerWaalsContact O-N 3.08Å; D271-P582 HydrophobicContact CB-CG 4.35Å
272	Y	98.1	Very high	97.3	Very high	8 Å²	8	28.4 Å²	28.4	3%	0.031	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-113.3	147	171	-53.2	-75.8	0	0	0	111.1	L270 G274 Q275 D317 K319 L323 S324 I325 P582	L270-Y272 HydrophobicContact CD1-CD1 4.03Å; L270-Y272 HydrophobicContact CD1-CD2 4.44Å; L270-Y272 HydrophobicContact CD1-CE1 3.4Å; L270-Y272 HydrophobicContact CD1-CE2 3.89Å; Y272-G274 PolarHBondContact O-N 3.18Å; Y272-Q275 PolarHBondContact O-N 3.09Å; Y272-Q275 VanDerWaalsContact O-N 3.12Å; Y272-D317 HydrophobicContact CE1-CB 3.92Å; Y272-D317 WeakPolarHBondContact CE1-OD2 3.41Å; Y272-D317 PolarHBondContact OH-OD2 3.32Å; Y272-K319 WeakPolarHBondContact OH-CE 3.45Å; Y272-L323 HydrophobicContact CD1-CB 3.46Å; Y272-L323 VanDerWaalsContact CD1-CB 3.46Å; Y272-L323 HydrophobicContact CD1-CD1 4.41Å; Y272-L323 HydrophobicContact CD2-CD1 4.21Å; Y272-L323 HydrophobicContact CE1-CB 3.73Å; Y272-L323 HydrophobicContact CE1-CD1 4.32Å; Y272-L323 HydrophobicContact CE2-CD1 4.1Å; Y272-L323 HydrophobicContact CG-CB 3.92Å; Y272-L323 HydrophobicContact CG-CD1 4.32Å; Y272-S324 WeakPolarHBondContact CA-O 3.27Å; Y272-I325 HydrophobicContact CD1-CG1 3.83Å; Y272-I325 HydrophobicContact CE1-CD1 4.47Å; Y272-I325 HydrophobicContact CE1-CG1 3.85Å; Y272-P582 WeakPolarHBondContact O-CD 3.44Å
273	W	97.9	Very high	97.3	Very high	11 Å²	11	32.3 Å²	32.3	4%	0.042	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	121.8	173.9	-69.4	109.2	0	0	0	111.6	S324 I325 T326 W577 G581 Q583	W273-S324 PolarHBondContact N-O 3.19Å; W273-I325 PolarHBondContact NE1-O 2.65Å; W273-T326 HydrophobicContact CD2-CG2 3.86Å; W273-T326 HydrophobicContact CE3-CG2 4.08Å; W273-T326 HydrophobicContact CG-CG2 4.22Å; W273-T326 HydrophobicContact CZ2-CG2 4.36Å; W273-T326 HydrophobicContact CZ3-CG2 4.42Å; W273-W577 HydrophobicContact CB-CE3 3.69Å; W273-W577 HydrophobicContact CB-CZ3 4.04Å; W273-W577 HydrophobicContact CD2-CB 3.95Å; W273-W577 HydrophobicContact CD2-CE3 4.16Å; W273-W577 HydrophobicContact CE3-CB 3.57Å; W273-W577 AromaticContact CG-CE3 3.73Å; W273-W577 HydrophobicContact CG-CE3 3.73Å; W273-W577 HydrophobicContact CG-CZ3 4.37Å; W273-W577 HydrophobicContact CH2-CB 4.23Å; W273-W577 HydrophobicContact CZ3-CB 3.73Å; W273-G581 CarbonylContact C-O 3.57Å; W273-G581 WeakPolarHBondContact CA-O 3.23Å; W273-G581 VanDerWaalsContact CE3-O 3.27Å; W273-Q583 HydrophobicContact CH2-CB 3.92Å; W273-Q583 HydrophobicContact CH2-CG 4.18Å; W273-Q583 HydrophobicContact CZ3-CB 3.89Å; W273-Q583 WeakPolarHBondContact CZ3-O 3.4Å
274	G	95.1	Very high	97.2	Very high	11 Å²	11	34.2 Å²	34.2	11%	0.113	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	3.5	179.8	0	0	0	0	0	114.8	Y272 G581	Y272-G274 PolarHBondContact O-N 3.18Å; G274-G581 PolarHBondContact N-O 3.14Å
275	Q	95.1	Very high	97.2	Very high	64 Å²	64	34 Å²	34	30%	0.299	20%	0.196	S	C	.	.	S	Bend	trans	-106	168.7	171.7	-63.6	-165.6	8.1	0	0	111.4	Y272 P582 T627	Y272-Q275 PolarHBondContact O-N 3.09Å; Y272-Q275 VanDerWaalsContact O-N 3.12Å; Q275-P582 WeakPolarHBondContact O-CB 3.38Å; Q275-P582 WeakPolarHBondContact O-CD 3.38Å; Q275-P582 WeakPolarHBondContact O-CG 3.31Å; Q275-T627 WeakPolarHBondContact O-CG2 3.1Å
276	N	96.4	Very high	97.2	Very high	103 Å²	103	35 Å²	35	55%	0.551	20%	0.202	S	C	*	.	P	Polyproline II helix	trans	-67.3	151.9	174.9	-66.8	-17.4	0	0	0	110.6	S278	N276-S278 PolarHBondContact O-N 2.83Å
277	H	97.2	Very high	97.2	Very high	35 Å²	35	41.4 Å²	41.4	16%	0.162	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-61.5	124.1	168.5	-177.7	53.2	0	0	0	110	D271 P582 L624 N625	D271-H277 WeakPolarHBondContact OD1-CA 3.47Å; D271-H277 IonicContact OD1-ND1 3.83Å; D271-H277 IonicContact OD2-CE1 2.76Å; D271-H277 IonicContact OD2-CG 2.98Å; D271-H277 IonicContact OD2-ND1 2.67Å; D271-H277 PolarHBondContact OD2-ND1 3.04Å; H277-P582 HydrophobicContact CB-CB 4.2Å; H277-P582 HydrophobicContact CB-CG 4.43Å; H277-L624 WeakPolarHBondContact CB-O 3.49Å; H277-N625 HydrophobicContact CB-CB 4.16Å
278	S	96.4	Very high	97.2	Very high	24 Å²	24	42.1 Å²	42.1	17%	0.168	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-73.9	132	179.2	-65	0	0	0	0	110.9	L270 D271 N276	L270-S278 PolarHBondContact O-OG 3.22Å; D271-S278 WeakPolarHBondContact OD1-CB 3.27Å; D271-S278 PolarHBondContact OD1-N 2.94Å; D271-S278 PolarHBondContact OD1-OG 2.72Å; N276-S278 PolarHBondContact O-N 2.83Å
279	T	94.9	Very high	97.2	Very high	81 Å²	81	42.1 Å²	42.1	50%	0.497	24%	0.238	S	C	.	.			trans	-135.1	160.3	174.5	58.2	0	0	0	0	110.9	D332	T279-D332 VanDerWaalsContact CA-OD2 3.23Å; T279-D332 WeakPolarHBondContact CA-OD2 3.37Å; T279-D332 WeakPolarHBondContact CB-OD2 3.49Å; T279-D332 HydrophobicContact CG2-CB 4.36Å
280	R	94.9	Very high	97.3	Very high	74 Å²	74	42.5 Å²	42.5	28%	0.279	24%	0.241	S	C	.	.			trans	-133.2	136.2	174.4	-65.1	-66.1	179.7	-104.1	4.6	110.1	G268 V282 V285 D332 K344	G268-R280 VanDerWaalsContact CA-CG 3.48Å; R280-V282 PolarHBondContact O-N 2.77Å; R280-V285 HydrophobicContact CB-CG2 3.98Å; R280-D332 PolarHBondContact N-OD2 2.73Å; R280-K344 PolarHBondContact O-NZ 3.45Å
281	S	96.8	Very high	97.3	Very high	72 Å²	72	45 Å²	45	50%	0.503	26%	0.255	S	S	.	.			trans	-58.9	128.8	178.5	170.8	0	0	0	0	111.2	S283 A284 V285	S281-S283 PolarHBondContact O-N 3.35Å; S281-S283 PolarHBondContact OG-N 3.09Å; S281-A284 PolarHBondContact O-N 3.42Å; S281-A284 VanDerWaalsContact O-N 3.13Å; S281-V285 WeakPolarHBondContact O-CG2 3.1Å; S281-V285 PolarHBondContact O-N 3.29Å
282	V	98.3	Very high	97.3	Very high	53 Å²	53	44.6 Å²	44.6	32%	0.321	25%	0.252	S	S	.	.	H	α-helix	trans	-52.9	-43.6	174.3	177.8	0	0	0	0	110.9	R280 A284 V285 T286 K344 A347	R280-V282 PolarHBondContact O-N 2.77Å; V282-A284 PolarHBondContact O-N 3.49Å; V282-V285 PolarHBondContact O-N 2.97Å; V282-T286 HydrophobicContact CG1-CG2 4.27Å; V282-T286 WeakPolarHBondContact O-CG2 3.5Å; V282-T286 PolarHBondContact O-N 3.34Å; V282-T286 PolarHBondContact O-OG1 3.38Å; V282-K344 HydrophobicContact CG2-CB 3.99Å; V282-K344 HydrophobicContact CG2-CG 4.26Å; V282-A347 HydrophobicContact CG1-CB 3.56Å
283	S	98.2	Very high	97.3	Very high	82 Å²	82	44.4 Å²	44.4	57%	0.573	25%	0.252	S	S	*	.	H	α-helix	trans	-64.1	-40.2	-180	178.5	0	0	0	0	112.8	S281 T286 K287	S281-S283 PolarHBondContact O-N 3.35Å; S281-S283 PolarHBondContact OG-N 3.09Å; S283-T286 PolarHBondContact O-OG1 2.94Å; S283-K287 WeakPolarHBondContact O-CB 3.29Å; S283-K287 PolarHBondContact O-N 3.05Å
284	A	97.5	Very high	97.3	Very high	41 Å²	41	50 Å²	50	34%	0.339	28%	0.276	S	S	.	.	H	α-helix	trans	-65.4	-45.6	177.3	0	0	0	0	0	110.8	P240 S281 V282 K287 G288	P240-A284 HydrophobicContact CB-CB 4.16Å; S281-A284 PolarHBondContact O-N 3.42Å; S281-A284 VanDerWaalsContact O-N 3.13Å; V282-A284 PolarHBondContact O-N 3.49Å; A284-K287 PolarHBondContact O-N 3.14Å; A284-G288 PolarHBondContact O-N 3.49Å
285	V	98.4	Very high	97.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.5	-44.5	-179.9	-176.2	0	0	0	0	111.3	P240 Y265 T267 R280 S281 V282 L289 L348	P240-V285 HydrophobicContact CG-CG2 4.21Å; Y265-V285 HydrophobicContact CE1-CG1 3.73Å; Y265-V285 WeakPolarHBondContact CE1-O 3.42Å; Y265-V285 VanDerWaalsContact OH-C 3.29Å; Y265-V285 VanDerWaalsContact OH-CA 3.25Å; Y265-V285 WeakPolarHBondContact OH-CA 3.49Å; Y265-V285 PolarHBondContact OH-O 3Å; T267-V285 HydrophobicContact CG2-CG1 4.24Å; R280-V285 HydrophobicContact CB-CG2 3.98Å; S281-V285 WeakPolarHBondContact O-CG2 3.1Å; S281-V285 PolarHBondContact O-N 3.29Å; V282-V285 PolarHBondContact O-N 2.97Å; V285-L289 WeakPolarHBondContact O-CB 3.5Å; V285-L289 PolarHBondContact O-N 3.19Å; V285-L348 HydrophobicContact CG1-CD2 3.93Å
286	T	98.6	Very high	97.4	Very high	23 Å²	23	52.9 Å²	52.9	14%	0.141	30%	0.301	C	S	.	.	H	α-helix	trans	-70.1	-38.4	179.9	53.7	0	0	0	0	112.6	V282 S283 L289 E290 A347 L348 V351	V282-T286 HydrophobicContact CG1-CG2 4.27Å; V282-T286 WeakPolarHBondContact O-CG2 3.5Å; V282-T286 PolarHBondContact O-N 3.34Å; V282-T286 PolarHBondContact O-OG1 3.38Å; S283-T286 PolarHBondContact O-OG1 2.94Å; T286-L289 PolarHBondContact O-N 2.86Å; T286-E290 WeakPolarHBondContact O-CB 3.2Å; T286-E290 PolarHBondContact O-N 2.91Å; T286-A347 HydrophobicContact CG2-CB 3.76Å; T286-L348 HydrophobicContact CG2-CD2 3.91Å; T286-L348 HydrophobicContact CG2-CG 4.29Å; T286-V351 HydrophobicContact CG2-CG2 4.2Å
287	K	98.3	Very high	97.5	Very high	138 Å²	138	48 Å²	48	60%	0.6	27%	0.274	S	S	*	.	H	α-helix	trans	-64.3	-44.2	176.4	-173.1	177.3	-177.8	-178.8	0	111.8	S283 A284 E290 N291	S283-K287 WeakPolarHBondContact O-CB 3.29Å; S283-K287 PolarHBondContact O-N 3.05Å; A284-K287 PolarHBondContact O-N 3.14Å; K287-E290 PolarHBondContact O-N 2.72Å; K287-N291 WeakPolarHBondContact O-CB 3.49Å; K287-N291 PolarHBondContact O-N 2.98Å; K287-N291 PolarHBondContact O-ND2 2.52Å
288	G	98.1	Very high	97.6	Very high	16 Å²	16	46.3 Å²	46.3	17%	0.165	27%	0.267	C	S	.	.	H	α-helix	trans	-63.1	-42.9	175.7	0	0	0	0	0	112.2	Y265 A284 N291 M292	Y265-G288 VanDerWaalsContact OH-CA 3.27Å; Y265-G288 WeakPolarHBondContact OH-CA 3.17Å; A284-G288 PolarHBondContact O-N 3.49Å; G288-N291 PolarHBondContact O-N 3.45Å; G288-M292 WeakPolarHBondContact O-CG 3.42Å; G288-M292 PolarHBondContact O-N 3.3Å
289	L	98.6	Very high	97.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.9	-50.9	174.7	177.9	62.8	0	0	0	111.8	Y265 V285 T286 N291 M292 L293 V299 M301 L348 V351 I352	Y265-L289 HydrophobicContact CE1-CB 4.17Å; Y265-L289 PolarHBondContact OH-N 2.92Å; V285-L289 WeakPolarHBondContact O-CB 3.5Å; V285-L289 PolarHBondContact O-N 3.19Å; T286-L289 PolarHBondContact O-N 2.86Å; L289-N291 VanDerWaalsContact C-N 3.27Å; L289-N291 PolarHBondContact O-N 3.37Å; L289-M292 PolarHBondContact O-N 2.99Å; L289-L293 HydrophobicContact CD1-CD1 4.02Å; L289-L293 HydrophobicContact CD1-CD2 4.49Å; L289-L293 HydrophobicContact CD1-CG 4.06Å; L289-L293 HydrophobicContact CG-CD1 4.01Å; L289-L293 HydrophobicContact CG-CG 4.39Å; L289-L293 WeakPolarHBondContact O-CG 3.16Å; L289-L293 PolarHBondContact O-N 3.12Å; L289-V299 HydrophobicContact CD1-CG1 3.64Å; L289-V299 HydrophobicContact CD1-CG2 4.3Å; L289-M301 HydrophobicContact CD2-SD 4.16Å; L289-L348 HydrophobicContact CB-CD2 4.38Å; L289-L348 HydrophobicContact CD2-CB 4.49Å; L289-L348 HydrophobicContact CD2-CD2 3.55Å; L289-V351 HydrophobicContact CB-CG1 4.42Å; L289-V351 HydrophobicContact CD2-CB 4.26Å; L289-V351 HydrophobicContact CD2-CG1 3.95Å; L289-V351 HydrophobicContact CG-CG1 3.94Å; L289-I352 HydrophobicContact CD2-CG1 4.07Å
290	E	98.6	Very high	97.9	Very high	40 Å²	40	41.3 Å²	41.3	19%	0.187	24%	0.235	C	C	.	.	H	α-helix	trans	-59.2	-40.1	-179.3	-175	170.3	153.6	0	0	111.7	T286 K287 L293 K294 V351 K354 F355	T286-E290 WeakPolarHBondContact O-CB 3.2Å; T286-E290 PolarHBondContact O-N 2.91Å; K287-E290 PolarHBondContact O-N 2.72Å; E290-L293 PolarHBondContact O-N 3.26Å; E290-K294 HydrophobicContact CG-CD 4.4Å; E290-K294 WeakPolarHBondContact O-CG 3.3Å; E290-K294 PolarHBondContact O-N 2.63Å; E290-K294 VanDerWaalsContact OE1-CE 3.25Å; E290-K294 WeakPolarHBondContact OE1-CE 3.49Å; E290-K294 IonicContact OE1-NZ 2.74Å; E290-K294 PolarHBondContact OE1-NZ 3.34Å; E290-V351 HydrophobicContact CB-CG1 3.73Å; E290-V351 HydrophobicContact CG-CG1 4.35Å; E290-K354 IonicContact OE1-NZ 3.23Å; E290-K354 IonicContact OE2-NZ 3.01Å; E290-K354 PolarHBondContact OE2-NZ 3.23Å; E290-F355 HydrophobicContact CG-CE2 3.99Å; E290-F355 HydrophobicContact CG-CZ 3.94Å
291	N	98.1	Very high	98.1	Very high	60 Å²	60	37.8 Å²	37.8	32%	0.321	22%	0.222	S	C	.	.	H	α-helix	trans	-65.6	-42.3	177.2	-70.1	-16.8	0	0	0	112.3	M244 K287 G288 L289 K294 L295	M244-N291 HydrophobicContact CE-CB 3.74Å; M244-N291 HydrophobicContact SD-CB 4.28Å; K287-N291 WeakPolarHBondContact O-CB 3.49Å; K287-N291 PolarHBondContact O-N 2.98Å; K287-N291 PolarHBondContact O-ND2 2.52Å; G288-N291 PolarHBondContact O-N 3.45Å; L289-N291 VanDerWaalsContact C-N 3.27Å; L289-N291 PolarHBondContact O-N 3.37Å; N291-K294 PolarHBondContact O-N 3.43Å; N291-L295 WeakPolarHBondContact O-CG 3.11Å; N291-L295 PolarHBondContact O-N 3.07Å
292	M	97.9	Very high	98.2	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-62.3	-44.1	174.9	-74.6	-173.8	-70.2	0	0	111.8	F238 M244 F248 N262 Y265 G288 L289 K294 L295 G296 A297 V299	F238-M292 HydrophobicContact CE2-SD 3.92Å; F238-M292 HydrophobicContact CZ-CG 4.44Å; F238-M292 HydrophobicContact CZ-SD 3.81Å; M244-M292 HydrophobicContact CG-CG 4.41Å; M244-M292 HydrophobicContact SD-CB 4.29Å; M244-M292 HydrophobicContact SD-CG 3.33Å; M244-M292 WeakPolarHBondContact SD-CG 3.44Å; F248-M292 HydrophobicContact CE2-CG 4.29Å; N262-M292 HydrophobicContact CB-SD 3.81Å; Y265-M292 HydrophobicContact CD1-CE 3.72Å; Y265-M292 HydrophobicContact CD2-CE 3.52Å; Y265-M292 HydrophobicContact CD2-SD 4.45Å; Y265-M292 HydrophobicContact CE1-CE 3.94Å; Y265-M292 HydrophobicContact CE2-CE 3.76Å; Y265-M292 HydrophobicContact CG-CE 3.49Å; Y265-M292 VanDerWaalsContact CG-CE 3.49Å; G288-M292 WeakPolarHBondContact O-CG 3.42Å; G288-M292 PolarHBondContact O-N 3.3Å; L289-M292 PolarHBondContact O-N 2.99Å; M292-K294 VanDerWaalsContact C-N 3.34Å; M292-K294 PolarHBondContact O-N 3.07Å; M292-L295 WeakPolarHBondContact O-CB 3.27Å; M292-L295 PolarHBondContact O-N 2.92Å; M292-L295 VanDerWaalsContact O-N 3.13Å; M292-G296 PolarHBondContact O-N 3.03Å; M292-A297 HydrophobicContact CB-CB 4.29Å; M292-A297 WeakPolarHBondContact O-CB 3.45Å; M292-A297 PolarHBondContact O-N 2.93Å; M292-A297 VanDerWaalsContact O-N 3.08Å; M292-V299 HydrophobicContact CE-CB 4.4Å; M292-V299 HydrophobicContact CE-CG2 3.58Å; M292-V299 HydrophobicContact SD-CB 4.49Å; M292-V299 HydrophobicContact SD-CG2 4.04Å
293	L	98.1	Very high	98.2	Very high	4 Å²	4	32 Å²	32	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-67	-33.9	179.7	-64	178.8	0	0	0	112.5	V49 L289 E290 L295 G296 V299 V351 F355	V49-L293 HydrophobicContact CG2-CD2 3.75Å; L289-L293 HydrophobicContact CD1-CD1 4.02Å; L289-L293 HydrophobicContact CD1-CD2 4.49Å; L289-L293 HydrophobicContact CD1-CG 4.06Å; L289-L293 HydrophobicContact CG-CD1 4.01Å; L289-L293 HydrophobicContact CG-CG 4.39Å; L289-L293 WeakPolarHBondContact O-CG 3.16Å; L289-L293 PolarHBondContact O-N 3.12Å; E290-L293 PolarHBondContact O-N 3.26Å; L293-L295 VanDerWaalsContact C-N 3.28Å; L293-L295 PolarHBondContact O-N 2.74Å; L293-G296 PolarHBondContact O-N 3.49Å; L293-V299 HydrophobicContact CD2-CG1 4.07Å; L293-V351 HydrophobicContact CD1-CG1 4.24Å; L293-F355 HydrophobicContact CB-CB 4.5Å; L293-F355 HydrophobicContact CB-CD1 3.81Å; L293-F355 HydrophobicContact CB-CD2 3.74Å; L293-F355 HydrophobicContact CB-CE1 3.86Å; L293-F355 HydrophobicContact CB-CE2 3.81Å; L293-F355 HydrophobicContact CB-CG 3.75Å; L293-F355 HydrophobicContact CB-CZ 3.87Å; L293-F355 HydrophobicContact CD1-CB 4.33Å; L293-F355 HydrophobicContact CD1-CD2 3.51Å; L293-F355 HydrophobicContact CD1-CE2 4.01Å; L293-F355 HydrophobicContact CD1-CG 4.02Å; L293-F355 HydrophobicContact CG-CD2 4.28Å; L293-F355 HydrophobicContact CG-CG 4.49Å
294	K	97.7	Very high	98.2	Very high	127 Å²	127	28.1 Å²	28.1	55%	0.552	16%	0.156	S	C	*	.	H	α-helix	trans	-62.9	-32.2	171.4	-77.2	173.8	-176.8	164.7	0	113.2	E290 N291 M292 G296 F355	E290-K294 HydrophobicContact CG-CD 4.4Å; E290-K294 WeakPolarHBondContact O-CG 3.3Å; E290-K294 PolarHBondContact O-N 2.63Å; E290-K294 VanDerWaalsContact OE1-CE 3.25Å; E290-K294 WeakPolarHBondContact OE1-CE 3.49Å; E290-K294 IonicContact OE1-NZ 2.74Å; E290-K294 PolarHBondContact OE1-NZ 3.34Å; N291-K294 PolarHBondContact O-N 3.43Å; M292-K294 VanDerWaalsContact C-N 3.34Å; M292-K294 PolarHBondContact O-N 3.07Å; K294-G296 PolarHBondContact O-N 2.98Å; K294-F355 HydrophobicContact CG-CE1 3.83Å; K294-F355 HydrophobicContact CG-CZ 3.78Å
295	L	96.2	Very high	98.3	Very high	94 Å²	94	26.2 Å²	26.2	49%	0.492	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-3.2	174.5	-66.5	176.4	0	0	0	113.1	M244 F248 L260 N291 M292 L293 A297	M244-L295 HydrophobicContact CE-CD1 3.44Å; M244-L295 VanDerWaalsContact CE-CD1 3.44Å; M244-L295 HydrophobicContact CE-CG 4.45Å; M244-L295 HydrophobicContact SD-CD1 4.01Å; F248-L295 HydrophobicContact CD2-CD1 4.21Å; F248-L295 HydrophobicContact CE2-CD1 4.38Å; L260-L295 HydrophobicContact CD1-CB 4.49Å; N291-L295 WeakPolarHBondContact O-CG 3.11Å; N291-L295 PolarHBondContact O-N 3.07Å; M292-L295 WeakPolarHBondContact O-CB 3.27Å; M292-L295 PolarHBondContact O-N 2.92Å; M292-L295 VanDerWaalsContact O-N 3.13Å; L293-L295 VanDerWaalsContact C-N 3.28Å; L293-L295 PolarHBondContact O-N 2.74Å; L295-A297 PolarHBondContact O-N 2.78Å
296	G	96.3	Very high	98.3	Very high	42 Å²	42	26.2 Å²	26.2	43%	0.433	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	8.7	-174	0	0	0	0	0	114	M292 L293 K294	M292-G296 PolarHBondContact O-N 3.03Å; L293-G296 PolarHBondContact O-N 3.49Å; K294-G296 PolarHBondContact O-N 2.98Å
297	A	98.2	Very high	98.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.			trans	-67.1	139.6	-178.7	0	0	0	0	0	111.4	R47 F248 L260 M292 L295	R47-A297 WeakPolarHBondContact CD-O 3.43Å; F248-A297 HydrophobicContact CE2-CB 4.28Å; F248-A297 HydrophobicContact CZ-CB 4.04Å; L260-A297 HydrophobicContact CB-CB 3.69Å; L260-A297 CarbonylContact O-C 3.52Å; L260-A297 VanDerWaalsContact O-CA 3.25Å; L260-A297 WeakPolarHBondContact O-CA 3.34Å; M292-A297 HydrophobicContact CB-CB 4.29Å; M292-A297 WeakPolarHBondContact O-CB 3.45Å; M292-A297 PolarHBondContact O-N 2.93Å; M292-A297 VanDerWaalsContact O-N 3.08Å; L295-A297 PolarHBondContact O-N 2.78Å
298	S	98.8	Very high	98.3	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.007	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	143.5	164.7	-60.1	0	0	0	0	109.4	R47 Y48 L260 V261 N262	R47-S298 WeakPolarHBondContact CG-OG 3.5Å; Y48-S298 VanDerWaalsContact CZ-CB 3.48Å; Y48-S298 PolarHBondContact N-OG 3.48Å; Y48-S298 WeakPolarHBondContact O-CA 3.47Å; L260-S298 PolarHBondContact O-N 2.75Å; V261-S298 WeakPolarHBondContact CA-O 3.46Å; N262-S298 PolarHBondContact N-O 3.36Å
299	V	98.9	Very high	98.3	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	137.8	-171.6	59.4	0	0	0	0	110.4	Y48 V49 S50 N262 Y265 L289 M292 L293	Y48-V299 PolarHBondContact O-N 2.93Å; V49-V299 HydrophobicContact CG1-CG1 4.23Å; S50-V299 PolarHBondContact N-O 3.34Å; N262-V299 CarbonylContact O-C 3.33Å; N262-V299 WeakPolarHBondContact O-CA 3.46Å; Y265-V299 HydrophobicContact CD1-CG2 4.39Å; Y265-V299 HydrophobicContact CG-CG2 4.29Å; L289-V299 HydrophobicContact CD1-CG1 3.64Å; L289-V299 HydrophobicContact CD1-CG2 4.3Å; M292-V299 HydrophobicContact CE-CB 4.4Å; M292-V299 HydrophobicContact CE-CG2 3.58Å; M292-V299 HydrophobicContact SD-CB 4.49Å; M292-V299 HydrophobicContact SD-CG2 4.04Å; L293-V299 HydrophobicContact CD2-CG1 4.07Å
300	N	98.9	Very high	98.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	120.1	164	168.9	79.3	0	0	0	110.5	S50 G51 S52 Q79 N262 S263 Y265 Y302	S50-N300 WeakPolarHBondContact O-CA 3.25Å; S50-N300 PolarHBondContact OG-OD1 3.17Å; G51-N300 VanDerWaalsContact C-OD1 3.25Å; G51-N300 WeakPolarHBondContact CA-OD1 3.49Å; G51-N300 PolarHBondContact N-OD1 2.96Å; S52-N300 PolarHBondContact N-OD1 3.36Å; S52-N300 PolarHBondContact OG-ND2 2.97Å; S52-N300 PolarHBondContact OG-OD1 3.44Å; Q79-N300 WeakPolarHBondContact CB-OD1 3.47Å; Q79-N300 PolarHBondContact NE2-ND2 3.47Å; N262-N300 PolarHBondContact O-N 3.2Å; S263-N300 WeakPolarHBondContact O-CB 3.47Å; S263-N300 PolarHBondContact O-ND2 3.24Å; Y265-N300 PolarHBondContact N-O 3.39Å; N300-Y302 PolarHBondContact O-N 2.62Å
301	M	98.9	Very high	98.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	112.9	173.7	-76.7	162.4	-72.3	0	0	111.5	V49 S50 S52 L75 Y265 T267 L289 M303 F304 L348 I352	V49-M301 HydrophobicContact CG1-CE 3.94Å; S50-M301 WeakPolarHBondContact O-CE 3.4Å; S50-M301 PolarHBondContact O-N 3.01Å; S52-M301 PolarHBondContact N-O 2.8Å; L75-M301 HydrophobicContact CD2-CE 3.36Å; Y265-M301 HydrophobicContact CD1-CG 4.01Å; Y265-M301 WeakPolarHBondContact O-CA 3.22Å; T267-M301 HydrophobicContact CG2-CB 3.64Å; T267-M301 HydrophobicContact CG2-CG 3.89Å; L289-M301 HydrophobicContact CD2-SD 4.16Å; M301-M303 CarbonylContact O-C 3.55Å; M301-F304 HydrophobicContact CB-CD2 4.07Å; M301-F304 HydrophobicContact CE-CD2 4.02Å; M301-F304 HydrophobicContact CE-CE2 4.06Å; M301-F304 PolarHBondContact O-N 3.49Å; M301-F304 HydrophobicContact SD-CD2 4.04Å; M301-F304 HydrophobicContact SD-CE2 4.08Å; M301-L348 HydrophobicContact SD-CD1 4.12Å; M301-L348 HydrophobicContact SD-CD2 4.34Å; M301-I352 HydrophobicContact CE-CD1 4.32Å
302	Y	98.8	Very high	98.3	Very high	3 Å²	3	15.2 Å²	15.2	1%	0.012	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	118.7	178.2	-170.6	-86	0	0	0	110.2	S52 H54 Y81 E264 Y265 Y266 T267 N300 Y329 Y331	S52-Y302 WeakPolarHBondContact OG-CD2 3.49Å; H54-Y302 AromaticContact CE1-CE2 3.74Å; H54-Y302 AromaticContact CE1-CZ 4Å; H54-Y302 AromaticContact NE2-CE2 3.82Å; Y81-Y302 AromaticContact CE2-CE2 3.8Å; Y81-Y302 HydrophobicContact CE2-CE2 3.8Å; E264-Y302 HydrophobicContact CB-CG 4.34Å; E264-Y302 HydrophobicContact CG-CD2 4.34Å; E264-Y302 HydrophobicContact CG-CG 4.38Å; Y265-Y302 PolarHBondContact O-N 3.1Å; Y266-Y302 CarbonylContact C-O 3.58Å; Y266-Y302 WeakPolarHBondContact CA-O 3.33Å; Y266-Y302 HydrophobicContact CD1-CD1 4.12Å; Y266-Y302 HydrophobicContact CE1-CD1 4.31Å; T267-Y302 PolarHBondContact N-O 3.17Å; T267-Y302 PolarHBondContact OG1-O 3.29Å; N300-Y302 PolarHBondContact O-N 2.62Å; Y302-Y329 PolarHBondContact OH-OH 3.3Å; Y302-Y331 HydrophobicContact CD1-CE1 4.38Å; Y302-Y331 HydrophobicContact CD1-CE2 4.36Å; Y302-Y331 AromaticContact CD1-CZ 3.83Å; Y302-Y331 WeakPolarHBondContact CD1-OH 3.5Å; Y302-Y331 HydrophobicContact CE1-CE2 4.11Å; Y302-Y331 WeakPolarHBondContact O-CE1 3.31Å
303	M	98.8	Very high	98.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-87.6	141.3	-17	-67.3	-60	-64	0	0	111.2	S52 H54 T267 M301 H305 Y329 Y331 A333 P334	S52-M303 WeakPolarHBondContact O-CE 3.27Å; H54-M303 HydrophobicContact CB-CE 4.5Å; H54-M303 VanDerWaalsContact CE1-SD 3.52Å; T267-M303 PolarHBondContact OG1-N 3.28Å; T267-M303 PolarHBondContact OG1-O 2.83Å; M301-M303 CarbonylContact O-C 3.55Å; M303-H305 VanDerWaalsContact CE-O 3.23Å; M303-H305 WeakPolarHBondContact CE-O 3.49Å; M303-Y329 HydrophobicContact CE-CE1 4.44Å; M303-Y329 HydrophobicContact CG-CD1 4.4Å; M303-Y329 HydrophobicContact CG-CE1 3.54Å; M303-Y329 HydrophobicContact SD-CE1 4.06Å; M303-Y331 HydrophobicContact CB-CD1 3.85Å; M303-Y331 HydrophobicContact CB-CE1 4.39Å; M303-Y331 HydrophobicContact CB-CG 4.05Å; M303-Y331 HydrophobicContact CG-CD1 4.08Å; M303-Y331 HydrophobicContact CG-CD2 4.14Å; M303-Y331 HydrophobicContact CG-CE1 4.4Å; M303-Y331 HydrophobicContact CG-CE2 4.43Å; M303-Y331 HydrophobicContact CG-CG 3.96Å; M303-A333 HydrophobicContact CB-CB 4.34Å; M303-A333 WeakPolarHBondContact O-CB 3.28Å; M303-P334 VanDerWaalsContact O-CD 3.23Å; M303-P334 WeakPolarHBondContact O-CD 3.32Å
304	F	98.9	Very high	98.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	-36.5	166.7	-159.8	-86.5	0	0	0	111.6	S52 M70 S73 L75 M301 P334 I335 L345	S52-F304 PolarHBondContact O-N 3.17Å; M70-F304 HydrophobicContact CE-CB 4.08Å; M70-F304 HydrophobicContact CE-CD1 4.28Å; M70-F304 HydrophobicContact CE-CG 4.35Å; M70-F304 HydrophobicContact CG-CD1 3.56Å; M70-F304 HydrophobicContact CG-CE1 3.9Å; M70-F304 HydrophobicContact CG-CG 4.48Å; M70-F304 HydrophobicContact SD-CD1 4.45Å; S73-F304 WeakPolarHBondContact OG-CZ 3.42Å; L75-F304 HydrophobicContact CD1-CD1 4.17Å; L75-F304 HydrophobicContact CD1-CD2 3.89Å; L75-F304 HydrophobicContact CD1-CE1 4.23Å; L75-F304 HydrophobicContact CD1-CE2 3.98Å; L75-F304 HydrophobicContact CD1-CG 3.99Å; L75-F304 HydrophobicContact CD1-CZ 4.15Å; L75-F304 HydrophobicContact CD2-CE2 4.28Å; L75-F304 HydrophobicContact CG-CE2 4.44Å; M301-F304 HydrophobicContact CB-CD2 4.07Å; M301-F304 HydrophobicContact CE-CD2 4.02Å; M301-F304 HydrophobicContact CE-CE2 4.06Å; M301-F304 PolarHBondContact O-N 3.49Å; M301-F304 HydrophobicContact SD-CD2 4.04Å; M301-F304 HydrophobicContact SD-CE2 4.08Å; F304-P334 HydrophobicContact CD1-CB 4.5Å; F304-P334 HydrophobicContact CD2-CB 4.29Å; F304-P334 HydrophobicContact CD2-CG 4.03Å; F304-P334 HydrophobicContact CE1-CB 4.29Å; F304-P334 HydrophobicContact CE2-CB 4.06Å; F304-P334 HydrophobicContact CE2-CG 4.12Å; F304-P334 HydrophobicContact CG-CG 4.44Å; F304-P334 HydrophobicContact CZ-CB 4.05Å; F304-P334 WeakPolarHBondContact O-CD 3.2Å; F304-I335 HydrophobicContact CD1-CD1 3.86Å; F304-I335 HydrophobicContact CD1-CG1 4.07Å; F304-I335 HydrophobicContact CE1-CD1 3.75Å; F304-I335 HydrophobicContact CE1-CG1 3.89Å; F304-I335 PolarHBondContact O-N 3.43Å; F304-L345 HydrophobicContact CE1-CD1 4.08Å; F304-L345 HydrophobicContact CZ-CD1 4.26Å; F304-L345 HydrophobicContact CZ-CG 4.37Å
305	H	98.9	Very high	98.4	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.009	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	114.8	166.7	176.7	47.6	0	0	0	109.1	S52 L53 V58 M303 I335 S336 E337	S52-H305 PolarHBondContact O-N 3.41Å; S52-H305 VanDerWaalsContact O-N 3.14Å; L53-H305 HydrophobicContact CD1-CB 4.01Å; L53-H305 HydrophobicContact CG-CB 4.33Å; V58-H305 WeakPolarHBondContact CG2-NE2 3.22Å; M303-H305 VanDerWaalsContact CE-O 3.23Å; M303-H305 WeakPolarHBondContact CE-O 3.49Å; H305-I335 HydrophobicContact CB-CB 3.9Å; H305-I335 HydrophobicContact CB-CD1 4.38Å; H305-I335 HydrophobicContact CB-CG2 4.25Å; H305-I335 PolarHBondContact ND1-O 2.89Å; H305-S336 PolarHBondContact CE1-O 2.76Å; H305-S336 PolarHBondContact ND1-O 2.88Å; H305-E337 PolarHBondContact CE1-O 2.99Å
306	G	98.8	Very high	98.5	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	4%	0.039	C	C	.	.			trans	-81.8	-52.2	-177.1	0	0	0	0	0	113.9	R57 Y329	R57-G306 WeakPolarHBondContact CB-O 3.44Å; R57-G306 WeakPolarHBondContact CD-O 3.35Å; G306-Y329 CarbonylContact C-O 3.53Å; G306-Y329 WeakPolarHBondContact CA-O 3.18Å
307	G	98.6	Very high	98.6	Very high	2 Å²	2	4.1 Å²	4.1	2%	0.021	2%	0.02	C	C	.	.			trans	87.3	-141	177.9	0	0	0	0	0	113.6	Y329	G307-Y329 PolarHBondContact N-O 3.35Å; G307-Y329 CarbonylContact O-C 3.44Å; G307-Y329 VanDerWaalsContact O-CA 3.26Å; G307-Y329 WeakPolarHBondContact O-CA 3.35Å; G307-Y329 WeakPolarHBondContact O-CB 3.44Å; G307-Y329 PolarHBondContact O-N 2.99Å
308	T	98.9	Very high	98.4	Very high	2 Å²	2	8.7 Å²	8.7	1%	0.012	4%	0.04	C	C	.	.	B	Isolated β-bridge	trans	-133.8	135.6	-172.4	-49.5	0	0	0	0	112.5	R57 F310 T327 E337	R57-T308 WeakPolarHBondContact CA-O 3.41Å; R57-T308 PolarHBondContact O-N 3.42Å; R57-T308 VanDerWaalsContact O-N 3.16Å; T308-F310 VanDerWaalsContact C-N 3.27Å; T308-F310 HydrophobicContact CG2-CD1 3.78Å; T308-F310 HydrophobicContact CG2-CD2 4.33Å; T308-F310 HydrophobicContact CG2-CE1 3.71Å; T308-F310 HydrophobicContact CG2-CE2 4.25Å; T308-F310 HydrophobicContact CG2-CG 4.11Å; T308-F310 HydrophobicContact CG2-CZ 3.96Å; T308-F310 PolarHBondContact O-N 3.14Å; T308-T327 HydrophobicContact CG2-CG2 3.98Å; T308-E337 WeakPolarHBondContact CB-OE1 3.27Å; T308-E337 WeakPolarHBondContact CG2-OE1 3.38Å; T308-E337 WeakPolarHBondContact OG1-CG 3.34Å; T308-E337 PolarHBondContact OG1-OE1 3.16Å
309	N	98.8	Very high	98	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.058	C	C	.	.			trans	-79.2	69.2	167.2	-63.9	-43.7	0	0	0	110.7	R57 N314 T326 T327	R57-N309 VanDerWaalsContact CZ-OD1 3.23Å; R57-N309 PolarHBondContact NE-OD1 3.41Å; R57-N309 PolarHBondContact NH2-OD1 2.92Å; N309-N314 HydrophobicContact CB-CB 3.96Å; N309-T326 PolarHBondContact ND2-O 2.8Å; N309-T327 WeakPolarHBondContact CA-O 3.44Å; N309-T327 WeakPolarHBondContact CB-O 3.36Å; N309-T327 PolarHBondContact N-O 3.09Å
310	F	98.6	Very high	97.6	Very high	18 Å²	18	17.1 Å²	17.1	8%	0.079	10%	0.101	C	C	.	.			trans	-56.1	155.2	-179.7	-69.6	-66.1	0	0	0	112.8	P59 T308 Y312 W313 F571 L573 Y587 P589	P59-F310 HydrophobicContact CG-CE2 3.94Å; P59-F310 HydrophobicContact CG-CZ 4.31Å; T308-F310 VanDerWaalsContact C-N 3.27Å; T308-F310 HydrophobicContact CG2-CD1 3.78Å; T308-F310 HydrophobicContact CG2-CD2 4.33Å; T308-F310 HydrophobicContact CG2-CE1 3.71Å; T308-F310 HydrophobicContact CG2-CE2 4.25Å; T308-F310 HydrophobicContact CG2-CG 4.11Å; T308-F310 HydrophobicContact CG2-CZ 3.96Å; T308-F310 PolarHBondContact O-N 3.14Å; F310-Y312 PolarHBondContact O-N 3.2Å; F310-Y312 VanDerWaalsContact O-N 3.13Å; F310-W313 PolarHBondContact O-N 2.92Å; F310-F571 HydrophobicContact CB-CE1 4.25Å; F310-F571 HydrophobicContact CB-CZ 4.24Å; F310-F571 AromaticContact CD1-CE1 3.56Å; F310-F571 HydrophobicContact CD1-CE1 3.56Å; F310-F571 HydrophobicContact CD1-CZ 4.11Å; F310-F571 HydrophobicContact CD2-CZ 4.28Å; F310-F571 AromaticContact CE1-CE1 3.99Å; F310-F571 HydrophobicContact CE1-CE1 3.99Å; F310-F571 AromaticContact CG-CE1 3.87Å; F310-F571 HydrophobicContact CG-CE1 3.87Å; F310-F571 AromaticContact CG-CZ 3.95Å; F310-F571 HydrophobicContact CG-CZ 3.95Å; F310-L573 WeakPolarHBondContact CD1-O 3.13Å; F310-L573 HydrophobicContact CE1-CD2 4.32Å; F310-Y587 HydrophobicContact CZ-CD1 4.38Å; F310-P589 HydrophobicContact CZ-CG 3.95Å
311	G	98	Very high	97.3	Very high	7 Å²	7	19.9 Å²	19.9	7%	0.072	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	-114.5	176.5	0	0	0	0	0	114.2	Q565 N572 G574	G311-Q565 PolarHBondContact O-NE2 3.31Å; G311-N572 PolarHBondContact N-O 2.85Å; G311-G574 WeakPolarHBondContact O-CA 3.4Å
312	Y	98.4	Very high	97.2	Very high	17 Å²	17	20.5 Å²	20.5	7%	0.067	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	24.9	-175.7	-52.8	-70	0	0	0	112.1	F310 R411 F413 Q565 N572	F310-Y312 PolarHBondContact O-N 3.2Å; F310-Y312 VanDerWaalsContact O-N 3.13Å; Y312-R411 HydrophobicContact CD2-CB 4.28Å; Y312-R411 HydrophobicContact CG-CB 4.23Å; Y312-F413 AromaticContact CE1-CE2 3.94Å; Y312-F413 HydrophobicContact CE1-CE2 3.94Å; Y312-Q565 VanDerWaalsContact CE1-CD 3.48Å; Y312-Q565 HydrophobicContact CE1-CG 4.23Å; Y312-Q565 VanDerWaalsContact CE1-OE1 3.27Å; Y312-N572 WeakPolarHBondContact CE2-ND2 3.44Å
313	W	98.6	Very high	97.1	Very high	30 Å²	30	20.7 Å²	20.7	11%	0.114	12%	0.115	C	C	.	.			trans	-91.2	-2.7	-169.3	-66.2	119	0	0	0	114.9	N85 Y86 W128 E129 F310	N85-W313 WeakPolarHBondContact O-CH2 3.33Å; N85-W313 WeakPolarHBondContact OD1-CZ3 3.25Å; Y86-W313 HydrophobicContact CD2-CD2 4.25Å; Y86-W313 AromaticContact CD2-CE2 3.71Å; Y86-W313 HydrophobicContact CD2-CE3 4.4Å; Y86-W313 AromaticContact CD2-CH2 3.5Å; Y86-W313 HydrophobicContact CD2-CH2 3.5Å; Y86-W313 VanDerWaalsContact CD2-CH2 3.5Å; Y86-W313 AromaticContact CD2-CZ2 3.38Å; Y86-W313 HydrophobicContact CD2-CZ2 3.38Å; Y86-W313 AromaticContact CD2-CZ3 4Å; Y86-W313 HydrophobicContact CD2-CZ3 4Å; Y86-W313 AromaticContact CE2-CE2 3.87Å; Y86-W313 HydrophobicContact CE2-CH2 4.36Å; Y86-W313 AromaticContact CE2-CZ2 3.79Å; Y86-W313 HydrophobicContact CE2-CZ2 3.79Å; Y86-W313 AromaticContact CE2-NE1 3.95Å; Y86-W313 HydrophobicContact CG-CH2 4.31Å; W128-W313 HydrophobicContact CD2-CB 4.15Å; W128-W313 AromaticContact CE2-CE3 3.53Å; W128-W313 HydrophobicContact CE3-CB 3.8Å; W128-W313 VanDerWaalsContact CE3-O 3.27Å; W128-W313 HydrophobicContact CH2-CB 3.18Å; W128-W313 AromaticContact CH2-CD1 3.87Å; W128-W313 AromaticContact CH2-CD2 3.76Å; W128-W313 HydrophobicContact CH2-CD2 3.76Å; W128-W313 HydrophobicContact CH2-CE3 4.09Å; W128-W313 AromaticContact CH2-CG 3.35Å; W128-W313 HydrophobicContact CH2-CG 3.35Å; W128-W313 HydrophobicContact CZ2-CB 3.54Å; W128-W313 AromaticContact CZ2-CD2 3.36Å; W128-W313 HydrophobicContact CZ2-CD2 3.36Å; W128-W313 AromaticContact CZ2-CE3 3.23Å; W128-W313 HydrophobicContact CZ2-CE3 3.23Å; W128-W313 AromaticContact CZ2-CG 3.5Å; W128-W313 HydrophobicContact CZ2-CG 3.5Å; W128-W313 AromaticContact CZ2-CZ3 3.91Å; W128-W313 HydrophobicContact CZ2-CZ3 3.91Å; W128-W313 HydrophobicContact CZ3-CB 3.3Å; W128-W313 HydrophobicContact CZ3-CG 4.02Å; W128-W313 AromaticContact NE1-CE3 3.66Å; E129-W313 HydrophobicContact CB-CE3 4.37Å; E129-W313 PolarHBondContact N-O 3.35Å; F310-W313 PolarHBondContact O-N 2.92Å
314	N	98.8	Very high	97.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-61.1	141.2	173.2	73.7	-81.4	0	0	0	110.7	N309 S324 I325 M478 G479 R575	N309-N314 HydrophobicContact CB-CB 3.96Å; N314-S324 PolarHBondContact ND2-OG 2.75Å; N314-I325 PolarHBondContact ND2-O 3.36Å; N314-M478 PolarHBondContact ND2-O 2.97Å; N314-G479 WeakPolarHBondContact O-CA 3.39Å; N314-R575 PolarHBondContact OD1-NE 3.3Å; N314-R575 PolarHBondContact OD1-NH2 3.08Å
315	G	98.4	Very high	97.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.118	C	C	.	.			trans	-83.4	-166.1	167.1	0	0	0	0	0	112.6	E127 I325	E127-G315 PolarHBondContact O-N 2.65Å; G315-I325 WeakPolarHBondContact O-CB 3.4Å; G315-I325 PolarHBondContact O-N 3.2Å; G315-I325 VanDerWaalsContact O-N 3.16Å
316	A	98.5	Very high	97.1	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	154.1	172.3	0	0	0	0	0	109.4	F322 L323 G479 R480 L481 S482	A316-F322 HydrophobicContact CB-CD2 4.09Å; A316-F322 HydrophobicContact CB-CE1 4.49Å; A316-F322 HydrophobicContact CB-CE2 3.31Å; A316-F322 HydrophobicContact CB-CZ 3.56Å; A316-L323 CarbonylContact C-O 3.57Å; A316-L323 WeakPolarHBondContact CA-O 3.33Å; A316-L323 WeakPolarHBondContact CB-O 3.42Å; A316-G479 WeakPolarHBondContact CB-O 3.35Å; A316-R480 PolarHBondContact N-O 2.85Å; A316-L481 HydrophobicContact CB-CD2 4.1Å; A316-L481 CarbonylContact O-C 3.59Å; A316-L481 WeakPolarHBondContact O-CA 3.38Å; A316-S482 PolarHBondContact N-OG 2.91Å; A316-S482 PolarHBondContact O-N 2.75Å; A316-S482 PolarHBondContact O-OG 3.48Å
317	D	97.3	Very high	97.1	Very high	4 Å²	4	21 Å²	21	2%	0.021	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	159.1	174.3	-62.8	-20.2	0	0	0	111.4	Y272 L323 L481 S482 F483	Y272-D317 HydrophobicContact CE1-CB 3.92Å; Y272-D317 WeakPolarHBondContact CE1-OD2 3.41Å; Y272-D317 PolarHBondContact OH-OD2 3.32Å; D317-L323 PolarHBondContact N-O 2.73Å; D317-L323 PolarHBondContact O-N 2.92Å; D317-L481 VanDerWaalsContact C-CD2 3.44Å; D317-S482 PolarHBondContact OD1-OG 2.81Å; D317-S482 VanDerWaalsContact OD1-OG 3.05Å; D317-F483 WeakPolarHBondContact OD1-CB 3.46Å; D317-F483 PolarHBondContact OD1-N 2.95Å
318	K	94.4	Very high	97.1	Very high	97 Å²	97	21.1 Å²	21.1	42%	0.422	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	103.1	169.4	-172.4	179.7	-177.7	-178.6	0	109.6	R321 L481 F483	K318-R321 WeakPolarHBondContact CA-O 3.24Å; K318-L481 HydrophobicContact CB-CD1 4.07Å; K318-L481 HydrophobicContact CB-CD2 4.03Å; K318-L481 HydrophobicContact CD-CD1 4.43Å; K318-F483 PolarHBondContact N-O 2.83Å; K318-F483 VanDerWaalsContact N-O 3.07Å
319	K	91.1	Very high	97.1	Very high	90 Å²	90	21.2 Å²	21.2	39%	0.391	12%	0.118	S	C	.	.	S	Bend	trans	-124.8	82	174	-62.6	-171.3	176.1	-169.3	0	108.8	Y272 R321 L323	Y272-K319 WeakPolarHBondContact OH-CE 3.45Å; K319-R321 PolarHBondContact N-O 2.65Å; K319-R321 VanDerWaalsContact N-O 3.11Å; K319-R321 PolarHBondContact O-N 2.83Å; K319-L323 HydrophobicContact CB-CD1 4Å; K319-L323 HydrophobicContact CG-CD1 4.45Å
320	G	89.3	Confident	97.1	Very high	87 Å²	87	22 Å²	22	90%	0.897	12%	0.123	S	C	*	.	S	Bend	trans	70.3	-32.1	-167.1	0	0	0	0	0	114.5
321	R	93	Very high	97.1	Very high	58 Å²	58	21.5 Å²	21.5	22%	0.219	12%	0.12	C	C	.	.	S	Bend	trans	-144.5	169.2	176.7	64.7	-176	179.2	95.2	-4	111.5	K318 K319 L323 N456	K318-R321 WeakPolarHBondContact CA-O 3.24Å; K319-R321 PolarHBondContact N-O 2.65Å; K319-R321 VanDerWaalsContact N-O 3.11Å; K319-R321 PolarHBondContact O-N 2.83Å; R321-L323 HydrophobicContact CG-CD2 4.14Å; R321-L323 HydrophobicContact CG-CG 4.4Å; R321-N456 HydrophobicContact CB-CB 3.96Å
322	F	96.8	Very high	97.1	Very high	14 Å²	14	22.8 Å²	22.8	6%	0.061	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	127.6	171.7	-180	-99	0	0	0	111.8	A316 D439 R455 N456 M478 G479 L481	A316-F322 HydrophobicContact CB-CD2 4.09Å; A316-F322 HydrophobicContact CB-CE1 4.49Å; A316-F322 HydrophobicContact CB-CE2 3.31Å; A316-F322 HydrophobicContact CB-CZ 3.56Å; F322-D439 HydrophobicContact CD1-CB 4.47Å; F322-D439 HydrophobicContact CE1-CB 3.89Å; F322-D439 HydrophobicContact CZ-CB 4.15Å; F322-R455 HydrophobicContact CB-CG 4.24Å; F322-R455 VanDerWaalsContact CD2-NH1 3.32Å; F322-N456 WeakPolarHBondContact CB-OD1 3.47Å; F322-N456 PolarHBondContact N-OD1 3.22Å; F322-M478 HydrophobicContact CE1-CB 4Å; F322-M478 HydrophobicContact CZ-CB 4.09Å; F322-G479 WeakPolarHBondContact CE2-O 3.28Å; F322-G479 WeakPolarHBondContact CZ-O 3.33Å; F322-L481 HydrophobicContact CD2-CD2 3.75Å; F322-L481 HydrophobicContact CD2-CG 4.44Å; F322-L481 HydrophobicContact CE2-CD2 4.06Å
323	L	97.4	Very high	97.1	Very high	7 Å²	7	22 Å²	22	4%	0.037	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	100.8	179.1	-64.1	177.4	0	0	0	110.3	Y272 A316 D317 K319 R321	Y272-L323 HydrophobicContact CD1-CB 3.46Å; Y272-L323 VanDerWaalsContact CD1-CB 3.46Å; Y272-L323 HydrophobicContact CD1-CD1 4.41Å; Y272-L323 HydrophobicContact CD2-CD1 4.21Å; Y272-L323 HydrophobicContact CE1-CB 3.73Å; Y272-L323 HydrophobicContact CE1-CD1 4.32Å; Y272-L323 HydrophobicContact CE2-CD1 4.1Å; Y272-L323 HydrophobicContact CG-CB 3.92Å; Y272-L323 HydrophobicContact CG-CD1 4.32Å; A316-L323 CarbonylContact C-O 3.57Å; A316-L323 WeakPolarHBondContact CA-O 3.33Å; A316-L323 WeakPolarHBondContact CB-O 3.42Å; D317-L323 PolarHBondContact N-O 2.73Å; D317-L323 PolarHBondContact O-N 2.92Å; K319-L323 HydrophobicContact CB-CD1 4Å; K319-L323 HydrophobicContact CG-CD1 4.45Å; R321-L323 HydrophobicContact CG-CD2 4.14Å; R321-L323 HydrophobicContact CG-CG 4.4Å
324	S	98	Very high	97.1	Very high	8 Å²	8	20.6 Å²	20.6	6%	0.056	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	133.7	176.1	174.5	0	0	0	0	111.1	Y272 W273 N314 M478	Y272-S324 WeakPolarHBondContact CA-O 3.27Å; W273-S324 PolarHBondContact N-O 3.19Å; N314-S324 PolarHBondContact ND2-OG 2.75Å; S324-M478 PolarHBondContact OG-O 2.78Å
325	I	98.6	Very high	97.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-80.9	146.8	-177.6	-61.6	169.5	0	0	0	109.6	E127 L270 D271 Y272 W273 N314 G315	E127-I325 HydrophobicContact CB-CD1 3.41Å; E127-I325 VanDerWaalsContact CB-CD1 3.41Å; E127-I325 HydrophobicContact CB-CG2 4.28Å; E127-I325 HydrophobicContact CG-CD1 3.48Å; E127-I325 VanDerWaalsContact CG-CD1 3.48Å; L270-I325 HydrophobicContact CD1-CD1 3.98Å; L270-I325 HydrophobicContact CD1-CG1 3.97Å; D271-I325 WeakPolarHBondContact O-CA 3.44Å; D271-I325 WeakPolarHBondContact O-CG2 3.12Å; Y272-I325 HydrophobicContact CD1-CG1 3.83Å; Y272-I325 HydrophobicContact CE1-CD1 4.47Å; Y272-I325 HydrophobicContact CE1-CG1 3.85Å; W273-I325 PolarHBondContact NE1-O 2.65Å; N314-I325 PolarHBondContact ND2-O 3.36Å; G315-I325 WeakPolarHBondContact O-CB 3.4Å; G315-I325 PolarHBondContact O-N 3.2Å; G315-I325 VanDerWaalsContact O-N 3.16Å
326	T	98.6	Very high	97.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-67.7	166	-178.6	58.1	0	0	0	0	112.9	D271 W273 N309 S328	D271-T326 HydrophobicContact CB-CG2 3.85Å; D271-T326 WeakPolarHBondContact CB-OG1 3.24Å; D271-T326 PolarHBondContact O-N 3.4Å; D271-T326 VanDerWaalsContact O-N 3.08Å; W273-T326 HydrophobicContact CD2-CG2 3.86Å; W273-T326 HydrophobicContact CE3-CG2 4.08Å; W273-T326 HydrophobicContact CG-CG2 4.22Å; W273-T326 HydrophobicContact CZ2-CG2 4.36Å; W273-T326 HydrophobicContact CZ3-CG2 4.42Å; N309-T326 PolarHBondContact ND2-O 2.8Å; T326-S328 PolarHBondContact OG1-O 2.91Å
327	T	98.9	Very high	97.2	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	13%	0.125	C	C	.	.	S	Bend	trans	-71.6	-41.9	176.5	-60.9	0	0	0	0	110.7	T308 N309 Y329 R575 Q583 L586	T308-T327 HydrophobicContact CG2-CG2 3.98Å; N309-T327 WeakPolarHBondContact CA-O 3.44Å; N309-T327 WeakPolarHBondContact CB-O 3.36Å; N309-T327 PolarHBondContact N-O 3.09Å; T327-Y329 PolarHBondContact O-N 3.38Å; T327-R575 PolarHBondContact OG1-N 3.47Å; T327-R575 PolarHBondContact OG1-O 3.32Å; T327-Q583 VanDerWaalsContact N-OE1 3.08Å; T327-L586 HydrophobicContact CG2-CD2 3.45Å; T327-L586 VanDerWaalsContact CG2-CD2 3.45Å
328	S	98.8	Very high	97.2	Very high	4 Å²	4	21.6 Å²	21.6	3%	0.028	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-65.5	134.3	171.9	-175.4	0	0	0	0	109	T326 D330 E337	T326-S328 PolarHBondContact OG1-O 2.91Å; S328-D330 WeakPolarHBondContact OG-CB 3.21Å; S328-D330 PolarHBondContact OG-N 3.03Å; S328-E337 WeakPolarHBondContact CA-OE1 3.41Å; S328-E337 WeakPolarHBondContact CB-OE2 3.23Å; S328-E337 PolarHBondContact OG-OE2 3.07Å
329	Y	98.8	Very high	97.4	Very high	3 Å²	3	17 Å²	17	1%	0.012	10%	0.104	C	C	.	.			trans	-118.9	42.1	166.8	-161.9	-109.7	0	0	0	108.4	R57 E127 L270 Y302 M303 G306 G307 T327 Y331	R57-Y329 VanDerWaalsContact CZ-CD1 3.43Å; R57-Y329 PolarHBondContact NH1-OH 2.89Å; E127-Y329 HydrophobicContact CB-CD2 4.44Å; E127-Y329 HydrophobicContact CB-CE2 3.63Å; E127-Y329 HydrophobicContact CG-CE2 4Å; E127-Y329 PolarHBondContact OE2-OH 3.4Å; L270-Y329 HydrophobicContact CB-CE2 4.27Å; Y302-Y329 PolarHBondContact OH-OH 3.3Å; M303-Y329 HydrophobicContact CE-CE1 4.44Å; M303-Y329 HydrophobicContact CG-CD1 4.4Å; M303-Y329 HydrophobicContact CG-CE1 3.54Å; M303-Y329 HydrophobicContact SD-CE1 4.06Å; G306-Y329 CarbonylContact C-O 3.53Å; G306-Y329 WeakPolarHBondContact CA-O 3.18Å; G307-Y329 PolarHBondContact N-O 3.35Å; G307-Y329 CarbonylContact O-C 3.44Å; G307-Y329 VanDerWaalsContact O-CA 3.26Å; G307-Y329 WeakPolarHBondContact O-CA 3.35Å; G307-Y329 WeakPolarHBondContact O-CB 3.44Å; G307-Y329 PolarHBondContact O-N 2.99Å; T327-Y329 PolarHBondContact O-N 3.38Å; Y329-Y331 HydrophobicContact CE1-CD2 4.21Å; Y329-Y331 HydrophobicContact CE2-CD2 4.08Å; Y329-Y331 AromaticContact CZ-CD2 3.8Å; Y329-Y331 PolarHBondContact O-N 3.27Å
330	D	98.7	Very high	97.8	Very high	18 Å²	18	14.2 Å²	14.2	10%	0.096	9%	0.094	C	C	.	.			trans	-54.1	-39.1	176.6	-178.9	-93.9	0	0	0	111.9	S328 D332 A333 S336 E337 L624	S328-D330 WeakPolarHBondContact OG-CB 3.21Å; S328-D330 PolarHBondContact OG-N 3.03Å; D330-D332 PolarHBondContact O-N 3.49Å; D330-D332 VanDerWaalsContact O-N 3.09Å; D330-D332 WeakPolarHBondContact OD1-CA 3.19Å; D330-D332 PolarHBondContact OD1-N 2.81Å; D330-A333 VanDerWaalsContact O-CB 3.22Å; D330-A333 WeakPolarHBondContact O-CB 3.38Å; D330-A333 PolarHBondContact O-N 3.44Å; D330-S336 WeakPolarHBondContact OD2-CA 3.37Å; D330-E337 HydrophobicContact CB-CB 3.94Å; D330-E337 PolarHBondContact OD2-N 3.49Å; D330-L624 HydrophobicContact CB-CD1 3.58Å
331	Y	98.7	Very high	98.2	Very high	6 Å²	6	11 Å²	11	2%	0.024	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	3.9	174.9	-158.3	-95.1	0	0	0	114	Y266 G268 W269 L270 Y302 M303 Y329 A333	Y266-Y331 WeakPolarHBondContact CD1-OH 3.33Å; G268-Y331 CarbonylContact C-O 3.58Å; G268-Y331 WeakPolarHBondContact CA-O 3.43Å; W269-Y331 VanDerWaalsContact C-CD2 3.42Å; W269-Y331 VanDerWaalsContact C-CE2 3.47Å; W269-Y331 PolarHBondContact N-O 2.89Å; W269-Y331 VanDerWaalsContact N-O 3.09Å; W269-Y331 WeakPolarHBondContact O-CA 3.08Å; L270-Y331 HydrophobicContact CB-CE2 4.47Å; Y302-Y331 HydrophobicContact CD1-CE1 4.38Å; Y302-Y331 HydrophobicContact CD1-CE2 4.36Å; Y302-Y331 AromaticContact CD1-CZ 3.83Å; Y302-Y331 WeakPolarHBondContact CD1-OH 3.5Å; Y302-Y331 HydrophobicContact CE1-CE2 4.11Å; Y302-Y331 WeakPolarHBondContact O-CE1 3.31Å; M303-Y331 HydrophobicContact CB-CD1 3.85Å; M303-Y331 HydrophobicContact CB-CE1 4.39Å; M303-Y331 HydrophobicContact CB-CG 4.05Å; M303-Y331 HydrophobicContact CG-CD1 4.08Å; M303-Y331 HydrophobicContact CG-CD2 4.14Å; M303-Y331 HydrophobicContact CG-CE1 4.4Å; M303-Y331 HydrophobicContact CG-CE2 4.43Å; M303-Y331 HydrophobicContact CG-CG 3.96Å; Y329-Y331 HydrophobicContact CE1-CD2 4.21Å; Y329-Y331 HydrophobicContact CE2-CD2 4.08Å; Y329-Y331 AromaticContact CZ-CD2 3.8Å; Y329-Y331 PolarHBondContact O-N 3.27Å; Y331-A333 PolarHBondContact O-N 2.89Å
332	D	98.4	Very high	98.4	Very high	34 Å²	34	9.6 Å²	9.6	18%	0.182	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	37.8	-161.6	-175.7	31.8	0	0	0	110.5	T279 R280 D330 K344	T279-D332 VanDerWaalsContact CA-OD2 3.23Å; T279-D332 WeakPolarHBondContact CA-OD2 3.37Å; T279-D332 WeakPolarHBondContact CB-OD2 3.49Å; T279-D332 HydrophobicContact CG2-CB 4.36Å; R280-D332 PolarHBondContact N-OD2 2.73Å; D330-D332 PolarHBondContact O-N 3.49Å; D330-D332 VanDerWaalsContact O-N 3.09Å; D330-D332 WeakPolarHBondContact OD1-CA 3.19Å; D330-D332 PolarHBondContact OD1-N 2.81Å; D332-K344 PolarHBondContact O-NZ 3.48Å; D332-K344 IonicContact OD1-NZ 3.07Å; D332-K344 PolarHBondContact OD1-NZ 2.92Å; D332-K344 IonicContact OD2-NZ 3.31Å; D332-K344 PolarHBondContact OD2-NZ 2.67Å
333	A	98.8	Very high	98.5	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.008	8%	0.084	C	C	.	.			trans	-71.8	159.2	-178.1	0	0	0	0	0	112.1	M303 D330 Y331 I335	M303-A333 HydrophobicContact CB-CB 4.34Å; M303-A333 WeakPolarHBondContact O-CB 3.28Å; D330-A333 VanDerWaalsContact O-CB 3.22Å; D330-A333 WeakPolarHBondContact O-CB 3.38Å; D330-A333 PolarHBondContact O-N 3.44Å; Y331-A333 PolarHBondContact O-N 2.89Å; A333-I335 WeakPolarHBondContact CB-O 3.5Å; A333-I335 PolarHBondContact O-N 3.5Å
334	P	98.8	Very high	98.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-51.9	-38.6	171.4	-28.2	36.8	0	0	0	113.3	T267 M303 F304 T342 K344 L345 L348	T267-P334 HydrophobicContact CG2-CG 4.18Å; M303-P334 VanDerWaalsContact O-CD 3.23Å; M303-P334 WeakPolarHBondContact O-CD 3.32Å; F304-P334 HydrophobicContact CD1-CB 4.5Å; F304-P334 HydrophobicContact CD2-CB 4.29Å; F304-P334 HydrophobicContact CD2-CG 4.03Å; F304-P334 HydrophobicContact CE1-CB 4.29Å; F304-P334 HydrophobicContact CE2-CB 4.06Å; F304-P334 HydrophobicContact CE2-CG 4.12Å; F304-P334 HydrophobicContact CG-CG 4.44Å; F304-P334 HydrophobicContact CZ-CB 4.05Å; F304-P334 WeakPolarHBondContact O-CD 3.2Å; P334-T342 WeakPolarHBondContact O-CB 3.34Å; P334-T342 VanDerWaalsContact O-CG2 3.29Å; P334-T342 WeakPolarHBondContact O-CG2 3.46Å; P334-T342 PolarHBondContact O-N 3.3Å; P334-T342 VanDerWaalsContact O-N 3.12Å; P334-T342 PolarHBondContact O-OG1 2.73Å; P334-K344 HydrophobicContact CG-CD 4.41Å; P334-L345 HydrophobicContact CB-CB 3.88Å; P334-L345 VanDerWaalsContact O-CB 3.28Å; P334-L345 WeakPolarHBondContact O-CB 3.34Å; P334-L348 HydrophobicContact CB-CD1 4Å; P334-L348 HydrophobicContact CG-CD1 3.41Å; P334-L348 VanDerWaalsContact CG-CD1 3.41Å
335	I	98.8	Very high	98.6	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.081	C	C	.	.	B	Isolated β-bridge	trans	-106.9	119.5	169.4	-57.2	178.9	0	0	0	108.6	K69 M70 F304 H305 A333 G339 L345	K69-I335 HydrophobicContact CB-CD1 3.75Å; M70-I335 HydrophobicContact CG-CD1 4.07Å; F304-I335 HydrophobicContact CD1-CD1 3.86Å; F304-I335 HydrophobicContact CD1-CG1 4.07Å; F304-I335 HydrophobicContact CE1-CD1 3.75Å; F304-I335 HydrophobicContact CE1-CG1 3.89Å; F304-I335 PolarHBondContact O-N 3.43Å; H305-I335 HydrophobicContact CB-CB 3.9Å; H305-I335 HydrophobicContact CB-CD1 4.38Å; H305-I335 HydrophobicContact CB-CG2 4.25Å; H305-I335 PolarHBondContact ND1-O 2.89Å; A333-I335 WeakPolarHBondContact CB-O 3.5Å; A333-I335 PolarHBondContact O-N 3.5Å; I335-G339 VanDerWaalsContact CG2-C 3.42Å; I335-G339 VanDerWaalsContact CG2-CA 3.43Å; I335-L345 HydrophobicContact CD1-CD1 4.14Å; I335-L345 HydrophobicContact CG1-CD1 3.44Å; I335-L345 VanDerWaalsContact CG1-CD1 3.44Å
336	S	98.8	Very high	98.5	Very high	21 Å²	21	17.8 Å²	17.8	15%	0.147	10%	0.1	C	C	.	.			trans	-61.2	170.1	-178.3	74	0	0	0	0	113.4	H305 D330 A338 G339 D340	H305-S336 PolarHBondContact CE1-O 2.76Å; H305-S336 PolarHBondContact ND1-O 2.88Å; D330-S336 WeakPolarHBondContact OD2-CA 3.37Å; S336-A338 PolarHBondContact O-N 3.17Å; S336-A338 VanDerWaalsContact O-N 3.13Å; S336-G339 PolarHBondContact O-N 3.42Å; S336-D340 PolarHBondContact N-O 2.93Å; S336-D340 VanDerWaalsContact N-O 3.07Å; S336-D340 WeakPolarHBondContact OG-CB 3.16Å; S336-D340 PolarHBondContact OG-N 2.84Å; S336-D340 VanDerWaalsContact OG-N 3.12Å
337	E	98.8	Very high	98.5	Very high	4 Å²	4	19 Å²	19	2%	0.019	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-42.3	175.3	174.1	171.1	-153.6	0	0	113	H305 T308 S328 D330 G339 Y587	H305-E337 PolarHBondContact CE1-O 2.99Å; T308-E337 WeakPolarHBondContact CB-OE1 3.27Å; T308-E337 WeakPolarHBondContact CG2-OE1 3.38Å; T308-E337 WeakPolarHBondContact OG1-CG 3.34Å; T308-E337 PolarHBondContact OG1-OE1 3.16Å; S328-E337 WeakPolarHBondContact CA-OE1 3.41Å; S328-E337 WeakPolarHBondContact CB-OE2 3.23Å; S328-E337 PolarHBondContact OG-OE2 3.07Å; D330-E337 HydrophobicContact CB-CB 3.94Å; D330-E337 PolarHBondContact OD2-N 3.49Å; E337-G339 VanDerWaalsContact C-N 3.29Å; E337-G339 PolarHBondContact O-N 2.97Å; E337-Y587 HydrophobicContact CG-CD1 4.13Å; E337-Y587 HydrophobicContact CG-CG 4.22Å
338	A	98.4	Very high	98.5	Very high	1 Å²	1	19 Å²	19	1%	0.008	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	0.9	-179.1	0	0	0	0	0	114.3	R66 S336 F555 Y587	R66-A338 PolarHBondContact NH2-O 3.4Å; S336-A338 PolarHBondContact O-N 3.17Å; S336-A338 VanDerWaalsContact O-N 3.13Å; A338-F555 HydrophobicContact CB-CE1 4.18Å; A338-F555 HydrophobicContact CB-CZ 3.71Å; A338-Y587 HydrophobicContact CB-CD2 3.97Å; A338-Y587 HydrophobicContact CB-CE2 3.6Å
339	G	98.3	Very high	98.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	89.7	17.4	-179.7	0	0	0	0	0	114.6	K69 I335 S336 E337	K69-G339 PolarHBondContact NZ-O 2.9Å; I335-G339 VanDerWaalsContact CG2-C 3.42Å; I335-G339 VanDerWaalsContact CG2-CA 3.43Å; S336-G339 PolarHBondContact O-N 3.42Å; E337-G339 VanDerWaalsContact C-N 3.29Å; E337-G339 PolarHBondContact O-N 2.97Å
340	D	98.3	Very high	98.4	Very high	31 Å²	31	25.5 Å²	25.5	17%	0.166	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-87	133.6	-174.8	-59.7	-22.1	0	0	0	110.8	S336 T342 P366 K369	S336-D340 PolarHBondContact N-O 2.93Å; S336-D340 VanDerWaalsContact N-O 3.07Å; S336-D340 WeakPolarHBondContact OG-CB 3.16Å; S336-D340 PolarHBondContact OG-N 2.84Å; S336-D340 VanDerWaalsContact OG-N 3.12Å; D340-T342 PolarHBondContact O-N 3.45Å; D340-P366 HydrophobicContact CB-CB 4.23Å; D340-P366 HydrophobicContact CB-CG 4.3Å; D340-P366 WeakPolarHBondContact OD1-CA 3.37Å; D340-P366 WeakPolarHBondContact OD1-CB 3.39Å; D340-K369 VanDerWaalsContact CG-NZ 3.28Å; D340-K369 IonicContact OD1-NZ 3.25Å; D340-K369 PolarHBondContact OD1-NZ 3.35Å; D340-K369 VanDerWaalsContact OD2-CE 3.24Å; D340-K369 WeakPolarHBondContact OD2-CE 3.44Å; D340-K369 IonicContact OD2-NZ 2.65Å; D340-K369 PolarHBondContact OD2-NZ 3.49Å
341	P	98.1	Very high	98.4	Very high	20 Å²	20	24.9 Å²	24.9	13%	0.13	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-63.5	122.8	171.3	-20.9	32.9	0	0	0	111.3	L345 F346 P364	P341-L345 HydrophobicContact CB-CD1 4.31Å; P341-L345 HydrophobicContact CB-CD2 4.3Å; P341-F346 HydrophobicContact CB-CE2 3.99Å; P341-F346 HydrophobicContact CB-CZ 3.91Å; P341-P364 WeakPolarHBondContact CG-O 3.43Å
342	T	98.1	Very high	98.4	Very high	28 Å²	28	24.6 Å²	24.6	17%	0.172	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-95.2	166.3	179.4	70.1	0	0	0	0	111.7	P334 D340 K344 L345 F346	P334-T342 WeakPolarHBondContact O-CB 3.34Å; P334-T342 VanDerWaalsContact O-CG2 3.29Å; P334-T342 WeakPolarHBondContact O-CG2 3.46Å; P334-T342 PolarHBondContact O-N 3.3Å; P334-T342 VanDerWaalsContact O-N 3.12Å; P334-T342 PolarHBondContact O-OG1 2.73Å; D340-T342 PolarHBondContact O-N 3.45Å; T342-K344 PolarHBondContact O-N 3.35Å; T342-K344 VanDerWaalsContact O-N 3.14Å; T342-K344 WeakPolarHBondContact OG1-CB 3.45Å; T342-K344 PolarHBondContact OG1-N 3.49Å; T342-L345 WeakPolarHBondContact O-CB 3.33Å; T342-L345 PolarHBondContact O-N 2.83Å; T342-L345 PolarHBondContact OG1-N 2.77Å; T342-F346 WeakPolarHBondContact O-CD2 3.22Å; T342-F346 PolarHBondContact O-N 2.87Å
343	P	97.9	Very high	98.4	Very high	105 Å²	105	25.7 Å²	25.7	68%	0.682	15%	0.147	S	C	*	.	H	α-helix	trans	-52.3	-32.6	168.5	-28.1	36.7	0	0	0	113.7	F346 A347	P343-F346 PolarHBondContact O-N 2.76Å; P343-A347 PolarHBondContact O-N 3.38Å; P343-A347 VanDerWaalsContact O-N 3.1Å
344	K	98.6	Very high	98.3	Very high	5 Å²	5	31.6 Å²	31.6	2%	0.022	17%	0.173	C	C	.	.	H	α-helix	trans	-64.1	-40	176.6	-169.2	178.9	-66.5	176.4	0	111.7	T267 R280 V282 D332 P334 T342 A347 L348	T267-K344 PolarHBondContact O-NZ 3.07Å; R280-K344 PolarHBondContact O-NZ 3.45Å; V282-K344 HydrophobicContact CG2-CB 3.99Å; V282-K344 HydrophobicContact CG2-CG 4.26Å; D332-K344 PolarHBondContact O-NZ 3.48Å; D332-K344 IonicContact OD1-NZ 3.07Å; D332-K344 PolarHBondContact OD1-NZ 2.92Å; D332-K344 IonicContact OD2-NZ 3.31Å; D332-K344 PolarHBondContact OD2-NZ 2.67Å; P334-K344 HydrophobicContact CG-CD 4.41Å; T342-K344 PolarHBondContact O-N 3.35Å; T342-K344 VanDerWaalsContact O-N 3.14Å; T342-K344 WeakPolarHBondContact OG1-CB 3.45Å; T342-K344 PolarHBondContact OG1-N 3.49Å; K344-A347 PolarHBondContact O-N 3.06Å; K344-L348 HydrophobicContact CG-CD1 4.09Å; K344-L348 WeakPolarHBondContact O-CB 3.47Å; K344-L348 VanDerWaalsContact O-CG 3.24Å; K344-L348 WeakPolarHBondContact O-CG 3.5Å; K344-L348 PolarHBondContact O-N 2.8Å
345	L	98.5	Very high	98.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.8	-45.8	176.7	179.1	153	0	0	0	112.3	F304 P334 I335 P341 T342 A347 L348 R349 L363	F304-L345 HydrophobicContact CE1-CD1 4.08Å; F304-L345 HydrophobicContact CZ-CD1 4.26Å; F304-L345 HydrophobicContact CZ-CG 4.37Å; P334-L345 HydrophobicContact CB-CB 3.88Å; P334-L345 VanDerWaalsContact O-CB 3.28Å; P334-L345 WeakPolarHBondContact O-CB 3.34Å; I335-L345 HydrophobicContact CD1-CD1 4.14Å; I335-L345 HydrophobicContact CG1-CD1 3.44Å; I335-L345 VanDerWaalsContact CG1-CD1 3.44Å; P341-L345 HydrophobicContact CB-CD1 4.31Å; P341-L345 HydrophobicContact CB-CD2 4.3Å; T342-L345 WeakPolarHBondContact O-CB 3.33Å; T342-L345 PolarHBondContact O-N 2.83Å; T342-L345 PolarHBondContact OG1-N 2.77Å; L345-A347 VanDerWaalsContact C-N 3.34Å; L345-A347 PolarHBondContact O-N 3.24Å; L345-L348 PolarHBondContact O-N 3.16Å; L345-R349 WeakPolarHBondContact O-CB 3.11Å; L345-R349 PolarHBondContact O-N 2.99Å; L345-L363 HydrophobicContact CD2-CD1 3.25Å; L345-L363 HydrophobicContact CD2-CD2 4.11Å; L345-L363 HydrophobicContact CD2-CG 4.3Å
346	F	97.9	Very high	98.1	Very high	92 Å²	92	36 Å²	36	40%	0.404	19%	0.193	S	C	.	.	H	α-helix	trans	-62	-45	178.6	-63.8	-74.8	0	0	0	111	P341 T342 P343 L348 R349 D350 L363	P341-F346 HydrophobicContact CB-CE2 3.99Å; P341-F346 HydrophobicContact CB-CZ 3.91Å; T342-F346 WeakPolarHBondContact O-CD2 3.22Å; T342-F346 PolarHBondContact O-N 2.87Å; P343-F346 PolarHBondContact O-N 2.76Å; F346-L348 VanDerWaalsContact C-N 3.33Å; F346-L348 PolarHBondContact O-N 3.21Å; F346-R349 WeakPolarHBondContact O-CB 3.24Å; F346-R349 PolarHBondContact O-N 3.33Å; F346-D350 VanDerWaalsContact O-CG 3.29Å; F346-D350 PolarHBondContact O-N 2.92Å; F346-L363 HydrophobicContact CD1-CD1 3.7Å; F346-L363 HydrophobicContact CE1-CD1 3.41Å; F346-L363 VanDerWaalsContact CE1-CD1 3.41Å; F346-L363 HydrophobicContact CZ-CD1 4.25Å
347	A	98.5	Very high	97.8	Very high	26 Å²	26	43.7 Å²	43.7	22%	0.215	23%	0.226	C	C	.	.	H	α-helix	trans	-64.3	-35.5	178.4	0	0	0	0	0	113.2	V282 T286 P343 K344 L345 V351	V282-A347 HydrophobicContact CG1-CB 3.56Å; T286-A347 HydrophobicContact CG2-CB 3.76Å; P343-A347 PolarHBondContact O-N 3.38Å; P343-A347 VanDerWaalsContact O-N 3.1Å; K344-A347 PolarHBondContact O-N 3.06Å; L345-A347 VanDerWaalsContact C-N 3.34Å; L345-A347 PolarHBondContact O-N 3.24Å; A347-V351 PolarHBondContact O-N 3Å
348	L	98.6	Very high	97.6	Very high	1 Å²	1	45 Å²	45	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-69.6	-41.4	173.9	-69.8	167.9	0	0	0	111.8	V285 T286 L289 M301 P334 K344 L345 F346 D350 V351 I352	V285-L348 HydrophobicContact CG1-CD2 3.93Å; T286-L348 HydrophobicContact CG2-CD2 3.91Å; T286-L348 HydrophobicContact CG2-CG 4.29Å; L289-L348 HydrophobicContact CB-CD2 4.38Å; L289-L348 HydrophobicContact CD2-CB 4.49Å; L289-L348 HydrophobicContact CD2-CD2 3.55Å; M301-L348 HydrophobicContact SD-CD1 4.12Å; M301-L348 HydrophobicContact SD-CD2 4.34Å; P334-L348 HydrophobicContact CB-CD1 4Å; P334-L348 HydrophobicContact CG-CD1 3.41Å; P334-L348 VanDerWaalsContact CG-CD1 3.41Å; K344-L348 HydrophobicContact CG-CD1 4.09Å; K344-L348 WeakPolarHBondContact O-CB 3.47Å; K344-L348 VanDerWaalsContact O-CG 3.24Å; K344-L348 WeakPolarHBondContact O-CG 3.5Å; K344-L348 PolarHBondContact O-N 2.8Å; L345-L348 PolarHBondContact O-N 3.16Å; F346-L348 VanDerWaalsContact C-N 3.33Å; F346-L348 PolarHBondContact O-N 3.21Å; L348-D350 VanDerWaalsContact C-N 3.27Å; L348-D350 PolarHBondContact O-N 2.84Å; L348-V351 WeakPolarHBondContact O-CB 3.5Å; L348-V351 PolarHBondContact O-N 3.31Å; L348-V351 VanDerWaalsContact O-N 3.12Å; L348-I352 VanDerWaalsContact O-CG1 3.27Å; L348-I352 WeakPolarHBondContact O-CG1 3.37Å; L348-I352 PolarHBondContact O-N 3.07Å
349	R	98.1	Very high	97.3	Very high	47 Å²	47	46.2 Å²	46.2	18%	0.177	24%	0.242	C	C	.	.	H	α-helix	trans	-57.7	-41.9	174.5	-178.2	177.5	-177.9	-114.3	6	111.3	W72 L345 F346 V351 I352 S353 P359 G361	W72-R349 PolarHBondContact O-NE 3.49Å; L345-R349 WeakPolarHBondContact O-CB 3.11Å; L345-R349 PolarHBondContact O-N 2.99Å; F346-R349 WeakPolarHBondContact O-CB 3.24Å; F346-R349 PolarHBondContact O-N 3.33Å; R349-V351 VanDerWaalsContact C-N 3.3Å; R349-V351 PolarHBondContact O-N 3.49Å; R349-I352 PolarHBondContact O-N 3.38Å; R349-S353 PolarHBondContact O-N 2.87Å; R349-S353 PolarHBondContact O-OG 3.09Å; R349-P359 PolarHBondContact NH2-O 3.11Å; R349-G361 PolarHBondContact NH2-O 3.06Å
350	D	97.8	Very high	96.8	Very high	95 Å²	95	53.8 Å²	53.8	51%	0.508	28%	0.282	S	S	.	.	H	α-helix	trans	-64.6	-32.8	177.1	-65.7	-18.2	0	0	0	112.8	F346 L348 S353 K354	F346-D350 VanDerWaalsContact O-CG 3.29Å; F346-D350 PolarHBondContact O-N 2.92Å; L348-D350 VanDerWaalsContact C-N 3.27Å; L348-D350 PolarHBondContact O-N 2.84Å; D350-S353 PolarHBondContact O-OG 2.87Å; D350-K354 WeakPolarHBondContact O-CG 3.17Å
351	V	98.6	Very high	96.1	Very high	6 Å²	6	54.3 Å²	54.3	4%	0.036	29%	0.294	C	S	.	.	H	α-helix	trans	-69.7	-48.8	171.7	171.8	0	0	0	0	110.1	T286 L289 E290 L293 A347 L348 R349 S353 K354 F355	T286-V351 HydrophobicContact CG2-CG2 4.2Å; L289-V351 HydrophobicContact CB-CG1 4.42Å; L289-V351 HydrophobicContact CD2-CB 4.26Å; L289-V351 HydrophobicContact CD2-CG1 3.95Å; L289-V351 HydrophobicContact CG-CG1 3.94Å; E290-V351 HydrophobicContact CB-CG1 3.73Å; E290-V351 HydrophobicContact CG-CG1 4.35Å; L293-V351 HydrophobicContact CD1-CG1 4.24Å; A347-V351 PolarHBondContact O-N 3Å; L348-V351 WeakPolarHBondContact O-CB 3.5Å; L348-V351 PolarHBondContact O-N 3.31Å; L348-V351 VanDerWaalsContact O-N 3.12Å; R349-V351 VanDerWaalsContact C-N 3.3Å; R349-V351 PolarHBondContact O-N 3.49Å; V351-S353 VanDerWaalsContact C-N 3.29Å; V351-S353 PolarHBondContact O-N 2.56Å; V351-K354 WeakPolarHBondContact O-CB 3.41Å; V351-K354 PolarHBondContact O-N 2.97Å; V351-K354 VanDerWaalsContact O-N 3.1Å; V351-F355 HydrophobicContact CG1-CE2 4.24Å; V351-F355 VanDerWaalsContact O-CD2 3.25Å; V351-F355 WeakPolarHBondContact O-CD2 3.27Å
352	I	98.5	Very high	95.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-59.9	-40.3	-177.3	-65.7	165.5	0	0	0	111	V49 L75 L289 M301 L348 R349 K354 F355 Q356 V358	V49-I352 HydrophobicContact CG1-CD1 4.02Å; V49-I352 HydrophobicContact CG1-CG1 4.1Å; L75-I352 HydrophobicContact CD2-CD1 3.98Å; L289-I352 HydrophobicContact CD2-CG1 4.07Å; M301-I352 HydrophobicContact CE-CD1 4.32Å; L348-I352 VanDerWaalsContact O-CG1 3.27Å; L348-I352 WeakPolarHBondContact O-CG1 3.37Å; L348-I352 PolarHBondContact O-N 3.07Å; R349-I352 PolarHBondContact O-N 3.38Å; I352-K354 PolarHBondContact O-N 2.96Å; I352-K354 VanDerWaalsContact O-N 3.08Å; I352-F355 PolarHBondContact O-N 2.85Å; I352-Q356 HydrophobicContact CG2-CG 3.62Å; I352-Q356 PolarHBondContact O-N 3.43Å; I352-Q356 VanDerWaalsContact O-N 3.12Å; I352-V358 HydrophobicContact CG2-CG1 4.04Å
353	S	97.4	Very high	95.1	Very high	57 Å²	57	58.3 Å²	58.3	40%	0.399	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-15.6	179.4	63.1	0	0	0	0	114.5	R349 D350 V351 F355 Q356	R349-S353 PolarHBondContact O-N 2.87Å; R349-S353 PolarHBondContact O-OG 3.09Å; D350-S353 PolarHBondContact O-OG 2.87Å; V351-S353 VanDerWaalsContact C-N 3.29Å; V351-S353 PolarHBondContact O-N 2.56Å; S353-F355 VanDerWaalsContact C-N 3.31Å; S353-Q356 WeakPolarHBondContact CA-O 3.34Å
354	K	98.2	Very high	94.8	Very high	124 Å²	124	54.3 Å²	54.3	54%	0.539	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-18.9	172.9	-56.2	173.7	-169.6	178.3	0	112.8	E290 D350 V351 I352	E290-K354 IonicContact OE1-NZ 3.23Å; E290-K354 IonicContact OE2-NZ 3.01Å; E290-K354 PolarHBondContact OE2-NZ 3.23Å; D350-K354 WeakPolarHBondContact O-CG 3.17Å; V351-K354 WeakPolarHBondContact O-CB 3.41Å; V351-K354 PolarHBondContact O-N 2.97Å; V351-K354 VanDerWaalsContact O-N 3.1Å; I352-K354 PolarHBondContact O-N 2.96Å; I352-K354 VanDerWaalsContact O-N 3.08Å
355	F	97.8	Very high	94.6	Very high	56 Å²	56	58.7 Å²	58.7	25%	0.246	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-12.5	-170.6	-60.6	-87.4	0	0	0	114.5	R47 E290 L293 K294 V351 I352 S353	R47-F355 PolarHBondContact NH2-O 2.69Å; R47-F355 VanDerWaalsContact NH2-O 3.12Å; E290-F355 HydrophobicContact CG-CE2 3.99Å; E290-F355 HydrophobicContact CG-CZ 3.94Å; L293-F355 HydrophobicContact CB-CB 4.5Å; L293-F355 HydrophobicContact CB-CD1 3.81Å; L293-F355 HydrophobicContact CB-CD2 3.74Å; L293-F355 HydrophobicContact CB-CE1 3.86Å; L293-F355 HydrophobicContact CB-CE2 3.81Å; L293-F355 HydrophobicContact CB-CG 3.75Å; L293-F355 HydrophobicContact CB-CZ 3.87Å; L293-F355 HydrophobicContact CD1-CB 4.33Å; L293-F355 HydrophobicContact CD1-CD2 3.51Å; L293-F355 HydrophobicContact CD1-CE2 4.01Å; L293-F355 HydrophobicContact CD1-CG 4.02Å; L293-F355 HydrophobicContact CG-CD2 4.28Å; L293-F355 HydrophobicContact CG-CG 4.49Å; K294-F355 HydrophobicContact CG-CE1 3.83Å; K294-F355 HydrophobicContact CG-CZ 3.78Å; V351-F355 HydrophobicContact CG1-CE2 4.24Å; V351-F355 VanDerWaalsContact O-CD2 3.25Å; V351-F355 WeakPolarHBondContact O-CD2 3.27Å; I352-F355 PolarHBondContact O-N 2.85Å; S353-F355 VanDerWaalsContact C-N 3.31Å
356	Q	95.2	Very high	94.5	Very high	38 Å²	38	62.1 Å²	62.1	18%	0.178	35%	0.345	C	S	.	.	S	Bend	trans	-159.9	159.9	175.6	60.9	-163.8	53.1	0	0	111.1	G74 I352 S353	G74-Q356 PolarHBondContact O-NE2 3.1Å; I352-Q356 HydrophobicContact CG2-CG 3.62Å; I352-Q356 PolarHBondContact O-N 3.43Å; I352-Q356 VanDerWaalsContact O-N 3.12Å; S353-Q356 WeakPolarHBondContact CA-O 3.34Å
357	E	92.8	Very high	94.3	Very high	182 Å²	182	58.6 Å²	58.6	85%	0.85	33%	0.332	S	S	*	.			trans	-64.1	135.7	174.5	-65	-174.5	171.2	0	0	111.2
358	V	94.6	Very high	94.2	Very high	30 Å²	30	61.2 Å²	61.2	18%	0.182	35%	0.347	C	S	.	.			trans	-115.2	144.1	175	-59.8	0	0	0	0	109.5	I352 L360	I352-V358 HydrophobicContact CG2-CG1 4.04Å; V358-L360 PolarHBondContact O-N 2.84Å
359	P	91.9	Very high	94.1	Very high	28 Å²	28	64 Å²	64	18%	0.182	36%	0.359	C	S	.	.			trans	-53.6	132.4	175.4	-28.4	36.9	0	0	0	112.3	W72 R349	W72-P359 HydrophobicContact CD2-CB 4.22Å; W72-P359 HydrophobicContact CE3-CB 4.39Å; W72-P359 HydrophobicContact CG-CB 4.4Å; R349-P359 PolarHBondContact NH2-O 3.11Å
360	L	86.8	Confident	94	Very high	159 Å²	159	62.5 Å²	62.5	83%	0.832	35%	0.354	S	S	*	.			trans	-76.9	148	176.7	-63.8	177.9	0	0	0	110.9	W72 V358	W72-L360 VanDerWaalsContact CZ3-O 3.27Å; W72-L360 WeakPolarHBondContact CZ3-O 3.21Å; V358-L360 PolarHBondContact O-N 2.84Å
361	G	83.9	Confident	93.9	Very high	41 Å²	41	63.8 Å²	63.8	42%	0.423	36%	0.359	S	S	.	.	S	Bend	trans	106.9	177.9	179.2	0	0	0	0	0	113.7	R349	R349-G361 PolarHBondContact NH2-O 3.06Å
362	P	86	Confident	93.7	Very high	113 Å²	113	65.6 Å²	65.6	73%	0.734	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-73.7	141.9	-177.6	30.6	-33.9	0	0	0	111	W72	W72-P362 VanDerWaalsContact CE3-O 3.31Å; W72-P362 VanDerWaalsContact CZ3-O 3.24Å; W72-P362 WeakPolarHBondContact CZ3-O 3.46Å
363	L	89.9	Confident	93.2	Very high	19 Å²	19	67.7 Å²	67.7	10%	0.099	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-60.3	145.4	168.2	-83.4	151.3	0	0	0	110.4	W72 L345 F346	W72-L363 HydrophobicContact CB-CD2 3.62Å; L345-L363 HydrophobicContact CD2-CD1 3.25Å; L345-L363 HydrophobicContact CD2-CD2 4.11Å; L345-L363 HydrophobicContact CD2-CG 4.3Å; F346-L363 HydrophobicContact CD1-CD1 3.7Å; F346-L363 HydrophobicContact CE1-CD1 3.41Å; F346-L363 VanDerWaalsContact CE1-CD1 3.41Å; F346-L363 HydrophobicContact CZ-CD1 4.25Å
364	P	92.2	Very high	93.1	Very high	21 Å²	21	68.5 Å²	68.5	14%	0.136	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-53.8	132.5	173.4	-24.8	33.3	0	0	0	110.9	L68 K69 P341	L68-P364 HydrophobicContact CD2-CG 3.9Å; L68-P364 HydrophobicContact CG-CG 4.05Å; K69-P364 VanDerWaalsContact CE-O 3.28Å; K69-P364 WeakPolarHBondContact CE-O 3.39Å; K69-P364 HydrophobicContact CG-CB 3.85Å; K69-P364 HydrophobicContact CG-CG 3.93Å; P341-P364 WeakPolarHBondContact CG-O 3.43Å
365	P	94.1	Very high	93	Very high	98 Å²	98	63.7 Å²	63.7	64%	0.636	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-71	167.5	-171.4	29	-35.7	0	0	0	112.7	K69	K69-P365 WeakPolarHBondContact CE-O 3.34Å; K69-P365 PolarHBondContact NZ-O 2.91Å
366	P	95.7	Very high	92.9	Very high	71 Å²	71	63.7 Å²	63.7	46%	0.461	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-49.8	145	162.8	-28.5	36.8	0	0	0	112.3	D340	D340-P366 HydrophobicContact CB-CB 4.23Å; D340-P366 HydrophobicContact CB-CG 4.3Å; D340-P366 WeakPolarHBondContact OD1-CA 3.37Å; D340-P366 WeakPolarHBondContact OD1-CB 3.39Å
367	S	94.7	Very high	92.9	Very high	19 Å²	19	62 Å²	62	13%	0.133	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-63.8	146.5	168.9	57.3	0	0	0	0	110.1	K369 D553	S367-K369 PolarHBondContact O-N 3.26Å; S367-K369 PolarHBondContact O-NZ 3.2Å; S367-K369 PolarHBondContact OG-NZ 3.13Å; S367-D553 WeakPolarHBondContact CB-OD2 3.36Å; S367-D553 VanDerWaalsContact OG-CG 3.32Å; S367-D553 PolarHBondContact OG-OD2 2.88Å
368	P	95.8	Very high	93	Very high	81 Å²	81	58 Å²	58	53%	0.526	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-55.3	134.8	174	-24.9	33.9	0	0	0	111	G552 D553	P368-G552 CarbonylContact O-C 3.54Å; P368-G552 VanDerWaalsContact O-CA 3.24Å; P368-G552 WeakPolarHBondContact O-CA 3.36Å; P368-D553 PolarHBondContact O-N 3.01Å
369	K	96.5	Very high	92.8	Very high	58 Å²	58	59.4 Å²	59.4	25%	0.252	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-103.9	153.4	178.2	-57.1	-61	-173.7	-76.8	0	111.5	D340 S367 D553 F555 D620	D340-K369 VanDerWaalsContact CG-NZ 3.28Å; D340-K369 IonicContact OD1-NZ 3.25Å; D340-K369 PolarHBondContact OD1-NZ 3.35Å; D340-K369 VanDerWaalsContact OD2-CE 3.24Å; D340-K369 WeakPolarHBondContact OD2-CE 3.44Å; D340-K369 IonicContact OD2-NZ 2.65Å; D340-K369 PolarHBondContact OD2-NZ 3.49Å; S367-K369 PolarHBondContact O-N 3.26Å; S367-K369 PolarHBondContact O-NZ 3.2Å; S367-K369 PolarHBondContact OG-NZ 3.13Å; K369-D553 CarbonylContact C-O 3.19Å; K369-D553 WeakPolarHBondContact CA-O 3.37Å; K369-D553 HydrophobicContact CD-CB 3.76Å; K369-F555 HydrophobicContact CD-CE2 4.08Å; K369-D620 HydrophobicContact CB-CB 3.9Å; K369-D620 WeakPolarHBondContact CG-O 3.39Å
370	M	95.6	Very high	92.7	Very high	17 Å²	17	59.4 Å²	59.4	8%	0.084	36%	0.357	C	S	.	.			trans	-132.1	143.9	-177	163.8	178.4	69.9	0	0	111.2	I547 D553 T554 L593 L619	M370-I547 HydrophobicContact CE-CD1 4.06Å; M370-I547 HydrophobicContact SD-CD1 4.26Å; M370-I547 HydrophobicContact SD-CG2 3.91Å; M370-D553 PolarHBondContact N-O 2.89Å; M370-T554 HydrophobicContact CE-CG2 3.84Å; M370-T554 VanDerWaalsContact O-CB 3.32Å; M370-T554 WeakPolarHBondContact O-CB 3.4Å; M370-T554 PolarHBondContact O-OG1 2.98Å; M370-L593 HydrophobicContact CE-CD1 3.33Å; M370-L619 CarbonylContact O-C 3.57Å
371	M	96.1	Very high	92.8	Very high	122 Å²	122	51.9 Å²	51.9	60%	0.601	32%	0.317	S	S	*	.			trans	-108.8	145.4	163.6	-63.4	-178.1	65.8	0	0	110.9	F618 D620	M371-F618 CarbonylContact C-O 3.6Å; M371-F618 VanDerWaalsContact CA-O 3.22Å; M371-F618 WeakPolarHBondContact CA-O 3.49Å; M371-D620 HydrophobicContact CG-CB 3.7Å; M371-D620 HydrophobicContact SD-CB 4.47Å
372	L	94.6	Very high	93.1	Very high	44 Å²	44	51.7 Å²	51.7	23%	0.23	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	145.6	174.1	175.6	71	0	0	0	111	L375 F545 I547 F618	L372-L375 HydrophobicContact CD2-CD1 4.3Å; L372-F545 HydrophobicContact CD2-CD2 3.48Å; L372-F545 VanDerWaalsContact CD2-CD2 3.48Å; L372-F545 HydrophobicContact CD2-CE2 3.34Å; L372-F545 HydrophobicContact CD2-CZ 4.34Å; L372-I547 HydrophobicContact CD2-CG1 4.33Å; L372-F618 HydrophobicContact CB-CB 3.86Å; L372-F618 HydrophobicContact CB-CD2 4.02Å; L372-F618 HydrophobicContact CB-CG 4.26Å; L372-F618 HydrophobicContact CD2-CD2 3.96Å; L372-F618 HydrophobicContact CD2-CE2 4.22Å; L372-F618 HydrophobicContact CG-CD2 4.16Å; L372-F618 PolarHBondContact N-O 3.41Å; L372-F618 WeakPolarHBondContact O-CB 3.27Å; L372-F618 PolarHBondContact O-N 3.28Å
373	G	87.5	Confident	93.5	Very high	43 Å²	43	46.3 Å²	46.3	44%	0.443	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	109.5	-171	173.5	0	0	0	0	0	113.3
374	P	94.9	Very high	93.7	Very high	74 Å²	74	47.1 Å²	47.1	48%	0.481	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-66.5	144.4	7.6	27.4	-35.1	0	0	0	113.8	Q615 V616 Q617	P374-Q615 HydrophobicContact CB-CB 4.48Å; P374-V616 CarbonylContact C-O 3.58Å; P374-V616 WeakPolarHBondContact CA-O 3.22Å; P374-Q617 HydrophobicContact CB-CG 4.09Å
375	L	96.4	Very high	93.6	Very high	23 Å²	23	48.7 Å²	48.7	12%	0.12	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.8	172.1	-57.6	-173.2	0	0	0	109.7	L372 F545 Q615 V616 F618	L372-L375 HydrophobicContact CD2-CD1 4.3Å; L375-F545 HydrophobicContact CD1-CB 3.98Å; L375-F545 HydrophobicContact CD1-CD1 3.51Å; L375-F545 HydrophobicContact CD1-CD2 3.91Å; L375-F545 HydrophobicContact CD1-CE1 3.88Å; L375-F545 HydrophobicContact CD1-CE2 4.24Å; L375-F545 HydrophobicContact CD1-CG 3.51Å; L375-F545 HydrophobicContact CD1-CZ 4.22Å; L375-F545 HydrophobicContact CD2-CB 4.4Å; L375-Q615 CarbonylContact O-C 3.56Å; L375-Q615 VanDerWaalsContact O-CA 3.25Å; L375-Q615 WeakPolarHBondContact O-CA 3.41Å; L375-V616 HydrophobicContact CB-CG2 4.02Å; L375-V616 PolarHBondContact N-O 2.9Å; L375-V616 PolarHBondContact O-N 3.43Å; L375-F618 HydrophobicContact CD1-CD2 4.29Å; L375-F618 HydrophobicContact CD1-CE2 3.71Å
376	T	96.8	Very high	93.5	Very high	56 Å²	56	44.7 Å²	44.7	34%	0.344	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	121.4	172.9	-57.5	0	0	0	0	110	K543 P614 Q615	T376-K543 WeakPolarHBondContact O-CD 3.22Å; T376-P614 HydrophobicContact CG2-CG 4.42Å; T376-Q615 PolarHBondContact OG1-NE2 3.34Å
377	L	95.3	Very high	93.4	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	24%	0.242	C	C	.	.			trans	-82.9	147	173.8	-66.9	166.3	0	0	0	110.6	Y541 K543 W561 I602 L604 P614 V616	L377-Y541 HydrophobicContact CB-CD1 4.35Å; L377-K543 HydrophobicContact CD2-CB 3.75Å; L377-W561 HydrophobicContact CB-CZ2 4.4Å; L377-W561 HydrophobicContact CD1-CH2 4.04Å; L377-W561 HydrophobicContact CD1-CZ2 3.51Å; L377-W561 HydrophobicContact CG-CZ2 4.5Å; L377-I602 HydrophobicContact CD2-CG1 4.4Å; L377-I602 HydrophobicContact CD2-CG2 3.51Å; L377-L604 HydrophobicContact CD1-CB 4.31Å; L377-L604 HydrophobicContact CD1-CD2 3.89Å; L377-P614 WeakPolarHBondContact CB-O 3.33Å; L377-P614 PolarHBondContact N-O 3.36Å; L377-P614 WeakPolarHBondContact O-CG 3.45Å; L377-V616 HydrophobicContact CD1-CG1 3.64Å; L377-V616 HydrophobicContact CD1-CG2 4.44Å; L377-V616 HydrophobicContact CG-CG1 4.46Å; L377-V616 HydrophobicContact CG-CG2 4.46Å
378	H	92.9	Very high	93.2	Very high	98 Å²	98	47.7 Å²	47.7	45%	0.454	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	142.1	178.7	-56.4	-63.9	0	0	0	110.6	V380 Y541 S542 K543	H378-V380 PolarHBondContact O-N 3.05Å; H378-Y541 CarbonylContact O-C 3.55Å; H378-Y541 VanDerWaalsContact O-CA 3.27Å; H378-Y541 WeakPolarHBondContact O-CA 3.24Å; H378-S542 PolarHBondContact N-O 3.43Å; H378-S542 PolarHBondContact O-N 2.99Å; H378-K543 PolarHBondContact NE2-NZ 3.45Å; H378-K543 VanDerWaalsContact NE2-NZ 3.11Å
379	L	91.3	Very high	93	Very high	61 Å²	61	48.5 Å²	48.5	32%	0.319	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	125.8	174.1	175.2	62.6	0	0	0	109.8	T539 Y541	L379-T539 HydrophobicContact CD1-CG2 3.1Å; L379-Y541 HydrophobicContact CB-CD1 4.47Å; L379-Y541 HydrophobicContact CB-CE1 4Å; L379-Y541 HydrophobicContact CD1-CE1 4.44Å; L379-Y541 HydrophobicContact CD1-CE2 4.23Å
380	V	90.2	Very high	92.9	Very high	28 Å²	28	45.7 Å²	45.7	17%	0.17	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-42.6	171.9	180	0	0	0	0	109.9	H378 F386 L526 Y531 F540 S542	H378-V380 PolarHBondContact O-N 3.05Å; V380-F386 HydrophobicContact CG1-CZ 3.93Å; V380-L526 HydrophobicContact CG1-CD1 3.66Å; V380-Y531 WeakPolarHBondContact O-CE2 3.47Å; V380-F540 HydrophobicContact CB-CB 3.96Å; V380-F540 WeakPolarHBondContact CB-O 3.19Å; V380-F540 HydrophobicContact CG1-CB 4.48Å; V380-F540 PolarHBondContact N-O 3.01Å; V380-S542 WeakPolarHBondContact CG2-OG 3.32Å
381	G	88.6	Confident	92.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.3	167	175.7	0	0	0	0	0	112.2	F540	G381-F540 PolarHBondContact N-O 3.39Å; G381-F540 PolarHBondContact O-N 3.07Å
382	H	90.5	Very high	92.8	Very high	37 Å²	37	43.8 Å²	43.8	17%	0.171	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	146.8	174.9	-58.3	-62.6	0	0	0	111.3	L384 A385 F386 P532 T539	H382-L384 PolarHBondContact O-N 2.86Å; H382-A385 WeakPolarHBondContact O-CB 2.83Å; H382-A385 PolarHBondContact O-N 3.27Å; H382-F386 WeakPolarHBondContact O-CD2 3.36Å; H382-F386 WeakPolarHBondContact O-CE2 3.47Å; H382-P532 PolarHBondContact NE2-O 3.46Å; H382-T539 PolarHBondContact ND1-OG1 2.83Å; H382-T539 VanDerWaalsContact ND1-OG1 3.12Å
383	L	94	Very high	92.7	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-54.9	-39.5	-178.7	179.7	146.8	0	0	0	112.3	A385 F386 L387 L390 L474 L512 I514 P538 F540 L605	L383-A385 PolarHBondContact O-N 2.81Å; L383-F386 PolarHBondContact O-N 2.86Å; L383-L387 HydrophobicContact CD2-CD2 4.46Å; L383-L390 HydrophobicContact CD2-CD1 4.31Å; L383-L390 HydrophobicContact CG-CD1 3.97Å; L383-L474 HydrophobicContact CD1-CD1 4.29Å; L383-L474 HydrophobicContact CD1-CD2 3.93Å; L383-L474 HydrophobicContact CD2-CD1 4.2Å; L383-L512 HydrophobicContact CD1-CD1 4.28Å; L383-L512 HydrophobicContact CD2-CD1 3.99Å; L383-I514 HydrophobicContact CD1-CD1 4.29Å; L383-P538 HydrophobicContact CB-CB 3.91Å; L383-P538 WeakPolarHBondContact CB-O 3.47Å; L383-P538 HydrophobicContact CD1-CB 4.25Å; L383-P538 PolarHBondContact N-O 2.96Å; L383-F540 HydrophobicContact CB-CE2 4.3Å; L383-F540 HydrophobicContact CD1-CE2 4.49Å; L383-F540 HydrophobicContact CG-CE2 4.34Å; L383-L605 HydrophobicContact CD1-CD1 4.01Å; L383-L605 HydrophobicContact CD1-CD2 4.15Å
384	L	93.3	Very high	93.1	Very high	36 Å²	36	46.2 Å²	46.2	19%	0.188	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-63.3	-24.3	-179	-59.1	-177.7	0	0	0	113.4	H382 F386 L387 L415 M444 D472	H382-L384 PolarHBondContact O-N 2.86Å; L384-F386 PolarHBondContact O-N 3.1Å; L384-L387 HydrophobicContact CD2-CD1 4.19Å; L384-L387 WeakPolarHBondContact O-CG 3.3Å; L384-L415 HydrophobicContact CD2-CD1 3.98Å; L384-L415 HydrophobicContact CD2-CD2 3.57Å; L384-L415 HydrophobicContact CD2-CG 4.45Å; L384-M444 HydrophobicContact CD1-SD 4.09Å; L384-M444 HydrophobicContact CG-SD 4.43Å; L384-D472 HydrophobicContact CD1-CB 4.4Å; L384-D472 WeakPolarHBondContact CD1-OD2 3.3Å
385	A	90.7	Very high	93.2	Very high	53 Å²	53	44.8 Å²	44.8	44%	0.438	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-73	-15	177.1	0	0	0	0	0	112.8	H382 L383 Y531	H382-A385 WeakPolarHBondContact O-CB 2.83Å; H382-A385 PolarHBondContact O-N 3.27Å; L383-A385 PolarHBondContact O-N 2.81Å; A385-Y531 HydrophobicContact CB-CE1 3.66Å
386	F	92.4	Very high	93.3	Very high	14 Å²	14	47 Å²	47	6%	0.061	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-107.4	13.4	-177.8	-57.9	-73.8	0	0	0	113.1	V380 H382 L383 L384 D388 L389 L390 L517 W521 F540	V380-F386 HydrophobicContact CG1-CZ 3.93Å; H382-F386 WeakPolarHBondContact O-CD2 3.36Å; H382-F386 WeakPolarHBondContact O-CE2 3.47Å; L383-F386 PolarHBondContact O-N 2.86Å; L384-F386 PolarHBondContact O-N 3.1Å; F386-D388 VanDerWaalsContact C-N 3.31Å; F386-D388 PolarHBondContact O-N 2.77Å; F386-L389 HydrophobicContact CD1-CD1 4.24Å; F386-L389 PolarHBondContact O-N 3.03Å; F386-L390 HydrophobicContact CB-CD1 4.02Å; F386-L390 HydrophobicContact CB-CG 4.16Å; F386-L390 WeakPolarHBondContact O-CB 3.44Å; F386-L390 VanDerWaalsContact O-CG 3.31Å; F386-L390 WeakPolarHBondContact O-CG 3.44Å; F386-L390 PolarHBondContact O-N 3.29Å; F386-L517 HydrophobicContact CB-CD2 4.09Å; F386-W521 HydrophobicContact CD1-CH2 4.42Å; F386-W521 AromaticContact CD1-CZ2 3.68Å; F386-W521 HydrophobicContact CD1-CZ2 3.68Å; F386-W521 HydrophobicContact CD2-CH2 4.29Å; F386-W521 HydrophobicContact CD2-CZ2 4.34Å; F386-W521 HydrophobicContact CE1-CH2 4.5Å; F386-W521 AromaticContact CE1-CZ2 3.84Å; F386-W521 HydrophobicContact CE1-CZ2 3.84Å; F386-W521 HydrophobicContact CE2-CH2 4.38Å; F386-W521 HydrophobicContact CE2-CZ2 4.47Å; F386-W521 HydrophobicContact CG-CH2 4.32Å; F386-W521 AromaticContact CG-CZ2 3.95Å; F386-W521 HydrophobicContact CG-CZ2 3.95Å; F386-W521 HydrophobicContact CZ-CH2 4.49Å; F386-W521 HydrophobicContact CZ-CZ2 4.25Å; F386-F540 AromaticContact CD2-CD2 3.84Å; F386-F540 HydrophobicContact CD2-CD2 3.84Å; F386-F540 HydrophobicContact CD2-CE2 4.17Å; F386-F540 HydrophobicContact CE2-CD2 4Å
387	L	92.8	Very high	93.4	Very high	10 Å²	10	53.7 Å²	53.7	5%	0.052	30%	0.297	C	S	.	.	H	α-helix	trans	-58.6	-39.4	-173	-74.9	174.3	0	0	0	113.8	L383 L384 L389 L390 C391 L415 L512	L383-L387 HydrophobicContact CD2-CD2 4.46Å; L384-L387 HydrophobicContact CD2-CD1 4.19Å; L384-L387 WeakPolarHBondContact O-CG 3.3Å; L387-L389 PolarHBondContact O-N 2.78Å; L387-L390 PolarHBondContact O-N 2.96Å; L387-C391 WeakPolarHBondContact O-CA 3.49Å; L387-C391 WeakPolarHBondContact O-CB 3.28Å; L387-C391 PolarHBondContact O-N 3.32Å; L387-L415 HydrophobicContact CD1-CD2 3.63Å; L387-L415 HydrophobicContact CD2-CD2 3.57Å; L387-L415 HydrophobicContact CG-CD2 4.23Å; L387-L512 HydrophobicContact CD2-CD2 3.87Å
388	D	90.9	Very high	93.5	Very high	144 Å²	144	55.4 Å²	55.4	77%	0.77	31%	0.309	S	S	*	.	H	α-helix	trans	-65.9	-29.4	179.1	-60.4	-28.1	0	0	0	112.1	F386 P392	F386-D388 VanDerWaalsContact C-N 3.31Å; F386-D388 PolarHBondContact O-N 2.77Å; D388-P392 WeakPolarHBondContact O-CA 3.47Å
389	L	92.1	Very high	93.8	Very high	97 Å²	97	55.7 Å²	55.7	51%	0.508	31%	0.312	S	S	.	.	H	α-helix	trans	-83.5	-35.1	175.5	-58.2	-179.8	0	0	0	112.2	F386 L387 L517	F386-L389 HydrophobicContact CD1-CD1 4.24Å; F386-L389 PolarHBondContact O-N 3.03Å; L387-L389 PolarHBondContact O-N 2.78Å; L389-L517 HydrophobicContact CB-CD1 3.75Å; L389-L517 HydrophobicContact CB-CD2 4.1Å; L389-L517 HydrophobicContact CD1-CD1 4.07Å
390	L	94.3	Very high	94.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-75.2	-31.8	179.7	-72.6	172.4	0	0	0	112.3	L383 F386 L387 L512 K513 I514 L517	L383-L390 HydrophobicContact CD2-CD1 4.31Å; L383-L390 HydrophobicContact CG-CD1 3.97Å; F386-L390 HydrophobicContact CB-CD1 4.02Å; F386-L390 HydrophobicContact CB-CG 4.16Å; F386-L390 WeakPolarHBondContact O-CB 3.44Å; F386-L390 VanDerWaalsContact O-CG 3.31Å; F386-L390 WeakPolarHBondContact O-CG 3.44Å; F386-L390 PolarHBondContact O-N 3.29Å; L387-L390 PolarHBondContact O-N 2.96Å; L390-L512 HydrophobicContact CB-CB 4.44Å; L390-L512 HydrophobicContact CB-CD2 3.94Å; L390-L512 HydrophobicContact CD1-CD2 4.39Å; L390-K513 PolarHBondContact O-N 3.26Å; L390-I514 HydrophobicContact CD2-CB 4.24Å; L390-I514 HydrophobicContact CD2-CG1 3.74Å; L390-L517 HydrophobicContact CD2-CB 4.01Å; L390-L517 HydrophobicContact CD2-CD2 3.39Å; L390-L517 HydrophobicContact CD2-CG 4.35Å; L390-L517 HydrophobicContact CG-CD2 3.67Å
391	C	95.8	Very high	94.5	Very high	10 Å²	10	56.4 Å²	56.4	7%	0.068	32%	0.316	C	S	.	.			trans	-131.9	66.6	-176.8	-161	0	0	0	0	110.2	L387 S393 G394 F510 P511	L387-C391 WeakPolarHBondContact O-CA 3.49Å; L387-C391 WeakPolarHBondContact O-CB 3.28Å; L387-C391 PolarHBondContact O-N 3.32Å; C391-S393 PolarHBondContact O-N 2.96Å; C391-S393 VanDerWaalsContact O-N 3.07Å; C391-G394 PolarHBondContact O-N 3.06Å; C391-G394 PolarHBondContact SG-O 2.68Å; C391-G394 VanDerWaalsContact SG-O 3.39Å; C391-F510 HydrophobicContact CB-CB 4.09Å; C391-F510 HydrophobicContact CB-CD1 4.12Å; C391-P511 PolarHBondContact SG-O 3.13Å
392	P	92.8	Very high	94.9	Very high	89 Å²	89	59.4 Å²	59.4	58%	0.578	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.3	-172.8	26.5	-36.1	0	0	0	113.8	D388 G394	D388-P392 WeakPolarHBondContact O-CA 3.47Å; P392-G394 VanDerWaalsContact C-N 3.26Å
393	S	94.1	Very high	95.3	Very high	109 Å²	109	59 Å²	59	76%	0.762	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-3.5	176	-58	0	0	0	0	113.3	C391	C391-S393 PolarHBondContact O-N 2.96Å; C391-S393 VanDerWaalsContact O-N 3.07Å
394	G	95.3	Very high	95.5	Very high	28 Å²	28	59 Å²	59	29%	0.289	33%	0.331	S	S	.	.			trans	75.3	171	-172.3	0	0	0	0	0	113.4	C391 P392	C391-G394 PolarHBondContact O-N 3.06Å; C391-G394 PolarHBondContact SG-O 2.68Å; C391-G394 VanDerWaalsContact SG-O 3.39Å; P392-G394 VanDerWaalsContact C-N 3.26Å
395	P	97.4	Very high	95.7	Very high	44 Å²	44	57.3 Å²	57.3	29%	0.286	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-74.4	151.6	-178.8	28.5	-32.3	0	0	0	112.7	M508 M509 F510	P395-M508 HydrophobicContact CB-CB 3.93Å; P395-M508 HydrophobicContact CB-CG 4.45Å; P395-M508 HydrophobicContact CG-CB 4.42Å; P395-M508 HydrophobicContact CG-CG 4.47Å; P395-M508 HydrophobicContact CG-SD 4.39Å; P395-M509 CarbonylContact C-O 3.16Å; P395-M509 VanDerWaalsContact CA-O 3.27Å; P395-M509 WeakPolarHBondContact CA-O 3.43Å; P395-F510 HydrophobicContact CB-CD1 3.77Å; P395-F510 HydrophobicContact CB-CD2 4.05Å; P395-F510 HydrophobicContact CB-CE1 3.52Å; P395-F510 HydrophobicContact CB-CE2 3.79Å; P395-F510 HydrophobicContact CB-CG 4.04Å; P395-F510 HydrophobicContact CB-CZ 3.52Å; P395-F510 HydrophobicContact CG-CD1 4.29Å; P395-F510 HydrophobicContact CG-CE1 3.61Å; P395-F510 HydrophobicContact CG-CE2 4.38Å; P395-F510 HydrophobicContact CG-CZ 3.65Å
396	I	98.3	Very high	96	Very high	69 Å²	69	57.2 Å²	57.2	35%	0.354	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	131.5	166.4	-58	172.9	0	0	0	108.1	V407 M508 M509	I396-V407 HydrophobicContact CD1-CB 3.69Å; I396-V407 HydrophobicContact CD1-CG1 3.8Å; I396-M508 CarbonylContact O-C 3.45Å; I396-M508 WeakPolarHBondContact O-CA 3.21Å; I396-M509 HydrophobicContact CB-CE 4.35Å; I396-M509 HydrophobicContact CG2-CE 4.11Å; I396-M509 PolarHBondContact N-O 3.18Å; I396-M509 WeakPolarHBondContact O-CE 3.43Å; I396-M509 PolarHBondContact O-N 3.16Å
397	R	98.4	Very high	96.1	Very high	197 Å²	197	57 Å²	57	74%	0.743	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.7	137	-178.6	-62.8	-174	177.4	-161.7	-0.5	110.9	W507 M508	R397-W507 WeakPolarHBondContact CA-O 3.24Å; R397-M508 HydrophobicContact CG-CG 4.15Å
398	S	98.3	Very high	96.3	Very high	38 Å²	38	63.6 Å²	63.6	27%	0.266	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	156.2	175.7	176.4	0	0	0	0	110.5	L400 Q506 W507	S398-L400 VanDerWaalsContact C-N 3.34Å; S398-L400 WeakPolarHBondContact CB-O 3.46Å; S398-L400 PolarHBondContact OG-N 2.78Å; S398-L400 PolarHBondContact OG-O 2.76Å; S398-Q506 CarbonylContact O-C 3.55Å; S398-W507 PolarHBondContact N-O 2.92Å; S398-W507 PolarHBondContact O-N 3.36Å
399	I	98	Very high	96.5	Very high	104 Å²	104	57.4 Å²	57.4	53%	0.533	32%	0.316	S	S	.	.	S	Bend	trans	-66.3	-40.4	174.5	-62.1	175.7	0	0	0	110.4	T505 Q506	I399-T505 HydrophobicContact CG2-CG2 4.33Å; I399-T505 CarbonylContact O-C 3.52Å; I399-T505 WeakPolarHBondContact O-CA 3.36Å; I399-T505 WeakPolarHBondContact O-CB 3.21Å; I399-Q506 PolarHBondContact O-N 3.15Å
400	L	97.9	Very high	96.5	Very high	86 Å²	86	54 Å²	54	45%	0.45	30%	0.299	S	S	.	.	S	Bend	trans	-114.9	153.4	179.5	-62	179.3	0	0	0	110.3	S398 P496	S398-L400 VanDerWaalsContact C-N 3.34Å; S398-L400 WeakPolarHBondContact CB-O 3.46Å; S398-L400 PolarHBondContact OG-N 2.78Å; S398-L400 PolarHBondContact OG-O 2.76Å; L400-P496 HydrophobicContact CD2-CB 4.06Å
401	P	97.9	Very high	96.5	Very high	18 Å²	18	56.3 Å²	56.3	12%	0.117	31%	0.307	C	S	.	.			trans	-62.8	145.8	175.7	29.1	-35	0	0	0	110.7	Y416 L493 W507	P401-Y416 HydrophobicContact CB-CD1 3.85Å; P401-Y416 HydrophobicContact CB-CE1 3.67Å; P401-L493 HydrophobicContact CB-CB 3.9Å; P401-L493 HydrophobicContact CB-CD1 4.28Å; P401-L493 HydrophobicContact CG-CB 4.13Å; P401-W507 HydrophobicContact CB-CG 4.43Å
402	M	98	Very high	96.6	Very high	63 Å²	63	56 Å²	56	31%	0.31	31%	0.306	S	S	.	.			trans	-109.8	151.7	174.5	-60	175.9	66.3	0	0	110	A406 V407 Y416 M509	M402-A406 HydrophobicContact CB-CB 4.14Å; M402-A406 HydrophobicContact CE-CB 3.72Å; M402-V407 HydrophobicContact CB-CG1 3.93Å; M402-V407 HydrophobicContact CE-CG1 4.47Å; M402-V407 HydrophobicContact SD-CG1 4.34Å; M402-Y416 VanDerWaalsContact O-CE1 3.27Å; M402-Y416 WeakPolarHBondContact O-CE1 3.35Å; M402-Y416 PolarHBondContact O-OH 2.94Å; M402-M509 HydrophobicContact CB-CE 4.29Å; M402-M509 HydrophobicContact CB-SD 3.61Å; M402-M509 HydrophobicContact CG-CE 4.02Å; M402-M509 HydrophobicContact CG-SD 3.96Å; M402-M509 PolarHBondContact N-SD 3.22Å; M402-M509 HydrophobicContact SD-CE 4.02Å
403	T	98.1	Very high	96.9	Very high	29 Å²	29	51.8 Å²	51.8	18%	0.178	28%	0.279	C	S	.	.			trans	-67.8	163.3	176.2	65.6	0	0	0	0	111.6	E405 A406 V407 F490 K491 L494	T403-E405 WeakPolarHBondContact CB-OE2 3.26Å; T403-E405 PolarHBondContact O-N 2.86Å; T403-E405 PolarHBondContact OG1-OE2 2.8Å; T403-A406 PolarHBondContact O-N 2.72Å; T403-A406 WeakPolarHBondContact OG1-CB 3.4Å; T403-A406 PolarHBondContact OG1-N 2.84Å; T403-V407 WeakPolarHBondContact O-CG2 3.48Å; T403-V407 PolarHBondContact O-N 2.9Å; T403-F490 HydrophobicContact CG2-CB 4.17Å; T403-F490 HydrophobicContact CG2-CD1 4.33Å; T403-K491 CarbonylContact C-O 3.57Å; T403-K491 WeakPolarHBondContact CA-O 3.48Å; T403-K491 WeakPolarHBondContact CB-O 3.37Å; T403-L494 HydrophobicContact CG2-CD2 3.62Å
404	F	98.4	Very high	97.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-46.1	174.1	-91.9	48.5	0	0	0	111.3	V407 K408 Q409 M414 V475 N477 K491 G492	F404-V407 CarbonylContact O-C 3.5Å; F404-V407 VanDerWaalsContact O-CG2 3.31Å; F404-V407 WeakPolarHBondContact O-CG2 3.42Å; F404-V407 PolarHBondContact O-N 2.87Å; F404-K408 PolarHBondContact O-N 3.25Å; F404-Q409 CarbonylContact C-O 3.52Å; F404-Q409 VanDerWaalsContact C-O 3.3Å; F404-Q409 WeakPolarHBondContact CB-O 3.34Å; F404-Q409 HydrophobicContact CD2-CB 4.36Å; F404-Q409 HydrophobicContact CD2-CG 3.89Å; F404-Q409 HydrophobicContact CE2-CG 4.26Å; F404-Q409 PolarHBondContact O-N 3.36Å; F404-Q409 VanDerWaalsContact O-O 3.13Å; F404-M414 HydrophobicContact CD1-CB 4.07Å; F404-M414 HydrophobicContact CD1-CE 3.49Å; F404-M414 VanDerWaalsContact CD1-CE 3.49Å; F404-M414 HydrophobicContact CD1-SD 4.21Å; F404-M414 HydrophobicContact CE1-CB 3.37Å; F404-M414 HydrophobicContact CE1-CE 3.89Å; F404-M414 HydrophobicContact CE1-CG 4.42Å; F404-M414 HydrophobicContact CE1-SD 4.43Å; F404-M414 HydrophobicContact CE2-CB 4.45Å; F404-M414 HydrophobicContact CG-CE 4.34Å; F404-M414 HydrophobicContact CZ-CB 3.61Å; F404-V475 HydrophobicContact CE1-CB 4.27Å; F404-V475 HydrophobicContact CE1-CG1 4.25Å; F404-N477 HydrophobicContact CD2-CB 4.16Å; F404-N477 HydrophobicContact CE2-CB 3.64Å; F404-N477 HydrophobicContact CZ-CB 4.28Å; F404-K491 HydrophobicContact CB-CB 3.92Å; F404-K491 HydrophobicContact CD1-CB 4.1Å; F404-K491 WeakPolarHBondContact CD1-O 3.43Å; F404-K491 HydrophobicContact CD2-CB 4.05Å; F404-K491 HydrophobicContact CG-CB 3.78Å; F404-K491 PolarHBondContact N-O 2.98Å; F404-G492 VanDerWaalsContact CD1-CA 3.44Å
405	E	97.5	Very high	97.2	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-39.3	-174.9	-58.4	87.5	177.4	0	0	111.6	L138 T403 V407 K408 R480 K491	L138-E405 HydrophobicContact CB-CB 4.21Å; L138-E405 HydrophobicContact CB-CG 3.93Å; L138-E405 HydrophobicContact CD1-CG 4.32Å; T403-E405 WeakPolarHBondContact CB-OE2 3.26Å; T403-E405 PolarHBondContact O-N 2.86Å; T403-E405 PolarHBondContact OG1-OE2 2.8Å; E405-V407 PolarHBondContact O-N 3.45Å; E405-K408 PolarHBondContact O-N 3.01Å; E405-R480 IonicContact OE1-CZ 2.62Å; E405-R480 IonicContact OE1-NE 3.79Å; E405-R480 PolarHBondContact OE1-NE 2.79Å; E405-R480 IonicContact OE1-NH2 3.47Å; E405-R480 PolarHBondContact OE1-NH2 2.75Å; E405-K491 PolarHBondContact OE1-N 3.46Å; E405-K491 PolarHBondContact OE2-N 3.45Å
406	A	96.7	Very high	97.3	Very high	51 Å²	51	43.2 Å²	43.2	42%	0.421	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-30.2	177.1	0	0	0	0	0	112.6	M402 T403	M402-A406 HydrophobicContact CB-CB 4.14Å; M402-A406 HydrophobicContact CE-CB 3.72Å; T403-A406 PolarHBondContact O-N 2.72Å; T403-A406 WeakPolarHBondContact OG1-CB 3.4Å; T403-A406 PolarHBondContact OG1-N 2.84Å
407	V	96.1	Very high	97.3	Very high	11 Å²	11	41.2 Å²	41.2	7%	0.067	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	13	174.3	-57.8	0	0	0	0	114.2	I396 M402 T403 F404 E405 Q409 M414 M509 P511	I396-V407 HydrophobicContact CD1-CB 3.69Å; I396-V407 HydrophobicContact CD1-CG1 3.8Å; M402-V407 HydrophobicContact CB-CG1 3.93Å; M402-V407 HydrophobicContact CE-CG1 4.47Å; M402-V407 HydrophobicContact SD-CG1 4.34Å; T403-V407 WeakPolarHBondContact O-CG2 3.48Å; T403-V407 PolarHBondContact O-N 2.9Å; F404-V407 CarbonylContact O-C 3.5Å; F404-V407 VanDerWaalsContact O-CG2 3.31Å; F404-V407 WeakPolarHBondContact O-CG2 3.42Å; F404-V407 PolarHBondContact O-N 2.87Å; E405-V407 PolarHBondContact O-N 3.45Å; V407-Q409 HydrophobicContact CG2-CB 4.23Å; V407-Q409 PolarHBondContact O-N 2.95Å; V407-M414 HydrophobicContact CG2-CE 3.84Å; V407-M414 HydrophobicContact CG2-SD 3.33Å; V407-M414 WeakPolarHBondContact CG2-SD 3.42Å; V407-M509 HydrophobicContact CG1-SD 4.27Å; V407-P511 HydrophobicContact CB-CG 4.44Å; V407-P511 HydrophobicContact CG2-CG 4.16Å
408	K	95.5	Very high	97.3	Very high	148 Å²	148	32 Å²	32	64%	0.643	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	30.9	178	-50.6	177.8	-177.2	178.4	0	113.6	F404 E405	F404-K408 PolarHBondContact O-N 3.25Å; E405-K408 PolarHBondContact O-N 3.01Å
409	Q	95.1	Very high	97.3	Very high	13 Å²	13	35.2 Å²	35.2	6%	0.061	18%	0.176	C	C	.	.			trans	-97	118.7	166.6	-179.1	161.4	-68	0	0	110.3	F404 V407 F413 P511	F404-Q409 CarbonylContact C-O 3.52Å; F404-Q409 VanDerWaalsContact C-O 3.3Å; F404-Q409 WeakPolarHBondContact CB-O 3.34Å; F404-Q409 HydrophobicContact CD2-CB 4.36Å; F404-Q409 HydrophobicContact CD2-CG 3.89Å; F404-Q409 HydrophobicContact CE2-CG 4.26Å; F404-Q409 PolarHBondContact O-N 3.36Å; F404-Q409 VanDerWaalsContact O-O 3.13Å; V407-Q409 HydrophobicContact CG2-CB 4.23Å; V407-Q409 PolarHBondContact O-N 2.95Å; Q409-F413 PolarHBondContact NE2-O 3.49Å; Q409-F413 PolarHBondContact OE1-O 2.79Å; Q409-P511 HydrophobicContact CB-CB 4.31Å; Q409-P511 VanDerWaalsContact OE1-C 3.31Å; Q409-P511 VanDerWaalsContact OE1-CB 3.25Å
410	D	92.3	Very high	97.1	Very high	26 Å²	26	30.5 Å²	30.5	14%	0.139	15%	0.152	C	C	.	.			trans	-84.7	-45.6	-177.1	-59.8	-50.5	0	0	0	112.1	Q90 S135 R139 N477 R480	Q90-D410 PolarHBondContact NE2-OD2 2.85Å; S135-D410 VanDerWaalsContact OG-CB 3.27Å; S135-D410 WeakPolarHBondContact OG-CB 3.37Å; S135-D410 VanDerWaalsContact OG-CG 3.29Å; S135-D410 PolarHBondContact OG-OD1 2.92Å; R139-D410 IonicContact NH2-OD1 2.85Å; D410-N477 PolarHBondContact O-ND2 3.05Å; D410-R480 VanDerWaalsContact O-CZ 3.3Å; D410-R480 PolarHBondContact O-NH1 3.23Å; D410-R480 PolarHBondContact O-NH2 3.39Å
411	R	95.4	Very high	96.8	Very high	49 Å²	49	30.1 Å²	30.1	19%	0.185	15%	0.153	C	C	.	.	S	Bend	trans	-146.5	175.6	-172	-55.5	-175	-158.2	117.2	10.1	112.1	Y312	Y312-R411 HydrophobicContact CD2-CB 4.28Å; Y312-R411 HydrophobicContact CG-CB 4.23Å
412	G	97.3	Very high	96.5	Very high	4 Å²	4	34.8 Å²	34.8	4%	0.041	17%	0.173	C	C	.	.	S	Bend	trans	84.3	-125.7	178.5	0	0	0	0	0	111.5	N477	G412-N477 PolarHBondContact O-N 3.41Å
413	F	98.6	Very high	96.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	139.5	-165.2	-57.1	-94.1	0	0	0	111.9	Y312 Q409 L474 V475 E476 L512 I514 L605 L607	Y312-F413 AromaticContact CE1-CE2 3.94Å; Y312-F413 HydrophobicContact CE1-CE2 3.94Å; Q409-F413 PolarHBondContact NE2-O 3.49Å; Q409-F413 PolarHBondContact OE1-O 2.79Å; F413-L474 HydrophobicContact CB-CD1 3.89Å; F413-L474 HydrophobicContact CB-CG 4.49Å; F413-L474 HydrophobicContact CD1-CD2 4.34Å; F413-L474 HydrophobicContact CD1-CG 4.39Å; F413-V475 CarbonylContact C-O 3.6Å; F413-V475 VanDerWaalsContact CA-O 3.28Å; F413-V475 WeakPolarHBondContact CA-O 3.34Å; F413-E476 HydrophobicContact CD1-CB 3.75Å; F413-E476 HydrophobicContact CD1-CG 4.02Å; F413-E476 HydrophobicContact CE1-CB 3.65Å; F413-E476 HydrophobicContact CE1-CG 3.53Å; F413-E476 HydrophobicContact CZ-CG 4.11Å; F413-L512 HydrophobicContact CB-CD1 4.09Å; F413-L512 VanDerWaalsContact O-CB 3.3Å; F413-L512 WeakPolarHBondContact O-CB 3.45Å; F413-L512 WeakPolarHBondContact O-CG 3.31Å; F413-L512 PolarHBondContact O-N 3.45Å; F413-I514 HydrophobicContact CB-CD1 4.17Å; F413-I514 HydrophobicContact CD2-CD1 3.48Å; F413-I514 VanDerWaalsContact CD2-CD1 3.48Å; F413-I514 HydrophobicContact CE2-CD1 4.16Å; F413-I514 HydrophobicContact CG-CD1 4.07Å; F413-L605 HydrophobicContact CD2-CD2 4.49Å; F413-L605 HydrophobicContact CE2-CD2 4.14Å; F413-L605 HydrophobicContact CZ-CD2 4.31Å; F413-L607 HydrophobicContact CD1-CD2 4.45Å; F413-L607 HydrophobicContact CE1-CD1 3.65Å; F413-L607 HydrophobicContact CE1-CD2 3.82Å; F413-L607 HydrophobicContact CE1-CG 4.41Å; F413-L607 HydrophobicContact CZ-CD1 3.95Å; F413-L607 HydrophobicContact CZ-CD2 4.29Å
414	M	98.2	Very high	96	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.8	173.8	-168.8	144.4	79.6	0	0	110	F404 V407 Y416 L474 V475	F404-M414 HydrophobicContact CD1-CB 4.07Å; F404-M414 HydrophobicContact CD1-CE 3.49Å; F404-M414 VanDerWaalsContact CD1-CE 3.49Å; F404-M414 HydrophobicContact CD1-SD 4.21Å; F404-M414 HydrophobicContact CE1-CB 3.37Å; F404-M414 HydrophobicContact CE1-CE 3.89Å; F404-M414 HydrophobicContact CE1-CG 4.42Å; F404-M414 HydrophobicContact CE1-SD 4.43Å; F404-M414 HydrophobicContact CE2-CB 4.45Å; F404-M414 HydrophobicContact CG-CE 4.34Å; F404-M414 HydrophobicContact CZ-CB 3.61Å; V407-M414 HydrophobicContact CG2-CE 3.84Å; V407-M414 HydrophobicContact CG2-SD 3.33Å; V407-M414 WeakPolarHBondContact CG2-SD 3.42Å; M414-Y416 HydrophobicContact CB-CE2 4.09Å; M414-Y416 HydrophobicContact CE-CD2 4.47Å; M414-Y416 HydrophobicContact CE-CE1 3.81Å; M414-Y416 HydrophobicContact CE-CE2 3.48Å; M414-Y416 VanDerWaalsContact CE-CE2 3.48Å; M414-Y416 WeakPolarHBondContact CE-OH 3.35Å; M414-Y416 HydrophobicContact CG-CD2 4.32Å; M414-Y416 HydrophobicContact CG-CE2 4.02Å; M414-L474 CarbonylContact O-C 3.49Å; M414-V475 PolarHBondContact N-O 3.48Å; M414-V475 PolarHBondContact O-N 2.83Å
415	L	98.7	Very high	95.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	126	170.9	-179	72.2	0	0	0	109.8	L384 L387 D472 L474 M509 F510 L512	L384-L415 HydrophobicContact CD2-CD1 3.98Å; L384-L415 HydrophobicContact CD2-CD2 3.57Å; L384-L415 HydrophobicContact CD2-CG 4.45Å; L387-L415 HydrophobicContact CD1-CD2 3.63Å; L387-L415 HydrophobicContact CD2-CD2 3.57Å; L387-L415 HydrophobicContact CG-CD2 4.23Å; L415-D472 HydrophobicContact CD1-CB 3.97Å; L415-L474 HydrophobicContact CB-CD1 4.4Å; L415-L474 HydrophobicContact CD1-CB 4.24Å; L415-M509 CarbonylContact O-C 3.55Å; L415-M509 WeakPolarHBondContact O-CA 3.46Å; L415-F510 HydrophobicContact CB-CB 4.17Å; L415-F510 HydrophobicContact CB-CD2 4.35Å; L415-F510 HydrophobicContact CD2-CD2 4.09Å; L415-F510 HydrophobicContact CG-CD2 4.33Å; L415-F510 PolarHBondContact N-O 3.24Å; L415-F510 VanDerWaalsContact N-O 3.11Å; L415-F510 PolarHBondContact O-N 3.12Å; L415-L512 HydrophobicContact CB-CD1 4.42Å; L415-L512 HydrophobicContact CB-CD2 4.47Å
416	Y	98.8	Very high	95.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	126.1	168	-65.5	-102.1	0	0	0	108.8	P401 M402 M414 I473 V475 G492 L493 M509	P401-Y416 HydrophobicContact CB-CD1 3.85Å; P401-Y416 HydrophobicContact CB-CE1 3.67Å; M402-Y416 VanDerWaalsContact O-CE1 3.27Å; M402-Y416 WeakPolarHBondContact O-CE1 3.35Å; M402-Y416 PolarHBondContact O-OH 2.94Å; M414-Y416 HydrophobicContact CB-CE2 4.09Å; M414-Y416 HydrophobicContact CE-CD2 4.47Å; M414-Y416 HydrophobicContact CE-CE1 3.81Å; M414-Y416 HydrophobicContact CE-CE2 3.48Å; M414-Y416 VanDerWaalsContact CE-CE2 3.48Å; M414-Y416 WeakPolarHBondContact CE-OH 3.35Å; M414-Y416 HydrophobicContact CG-CD2 4.32Å; M414-Y416 HydrophobicContact CG-CE2 4.02Å; Y416-I473 PolarHBondContact N-O 3.21Å; Y416-I473 PolarHBondContact O-N 3.29Å; Y416-V475 HydrophobicContact CD2-CB 4.36Å; Y416-V475 HydrophobicContact CD2-CG2 3.65Å; Y416-V475 HydrophobicContact CE2-CB 4.06Å; Y416-V475 HydrophobicContact CE2-CG2 3.65Å; Y416-G492 VanDerWaalsContact OH-CA 3.24Å; Y416-G492 WeakPolarHBondContact OH-CA 3.44Å; Y416-L493 HydrophobicContact CD1-CD1 3.75Å; Y416-L493 HydrophobicContact CD1-CG 4.22Å; Y416-L493 HydrophobicContact CD2-CD1 3.95Å; Y416-L493 HydrophobicContact CD2-CG 3.99Å; Y416-L493 HydrophobicContact CE1-CB 4.11Å; Y416-L493 HydrophobicContact CE1-CD1 4.13Å; Y416-L493 HydrophobicContact CE1-CG 4.12Å; Y416-L493 HydrophobicContact CE2-CB 4.47Å; Y416-L493 HydrophobicContact CE2-CD1 4.3Å; Y416-L493 HydrophobicContact CE2-CG 3.87Å; Y416-L493 HydrophobicContact CG-CD1 3.63Å; Y416-L493 HydrophobicContact CG-CG 4.13Å; Y416-L493 PolarHBondContact OH-N 2.83Å; Y416-M509 HydrophobicContact CD1-CG 3.53Å; Y416-M509 HydrophobicContact CD1-SD 4.28Å; Y416-M509 HydrophobicContact CE1-CG 3.74Å; Y416-M509 HydrophobicContact CE1-SD 4.02Å; Y416-M509 HydrophobicContact CG-CG 4.37Å
417	R	98.7	Very high	95.5	Very high	27 Å²	27	51.1 Å²	51.1	10%	0.102	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135	-179.7	178.3	175.1	-73.1	171.6	-3.8	111.1	K470 L471 D472 W507 M508 F510	R417-K470 HydrophobicContact CG-CG 4.09Å; R417-L471 VanDerWaalsContact CA-O 3.3Å; R417-L471 WeakPolarHBondContact CA-O 3.44Å; R417-D472 WeakPolarHBondContact CB-OD1 3.37Å; R417-D472 IonicContact CZ-OD1 2.95Å; R417-D472 VanDerWaalsContact CZ-OD1 3.26Å; R417-D472 IonicContact CZ-OD2 3.77Å; R417-D472 IonicContact NE-OD1 2.65Å; R417-D472 PolarHBondContact NE-OD1 2.87Å; R417-D472 IonicContact NE-OD2 3.7Å; R417-D472 PolarHBondContact NE-OD2 3.06Å; R417-D472 VanDerWaalsContact NH2-CG 3.29Å; R417-D472 IonicContact NH2-OD1 3.19Å; R417-D472 PolarHBondContact NH2-OD1 3.06Å; R417-D472 IonicContact NH2-OD2 2.78Å; R417-D472 PolarHBondContact NH2-OD2 3.13Å; R417-W507 WeakPolarHBondContact O-CA 2.98Å; R417-M508 HydrophobicContact CB-CB 4.26Å; R417-M508 HydrophobicContact CB-CE 4.24Å; R417-M508 HydrophobicContact CG-CE 3.69Å; R417-M508 PolarHBondContact N-O 2.76Å; R417-M508 PolarHBondContact O-N 3.43Å; R417-F510 HydrophobicContact CB-CE2 3.99Å
418	T	98.4	Very high	95.6	Very high	5 Å²	5	52.1 Å²	52.1	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	-174.7	166.1	-171.9	0	0	0	0	109.4	L471 L504 T505 Q506 W507	T418-L471 HydrophobicContact CG2-CB 4.11Å; T418-L471 HydrophobicContact CG2-CD2 4.01Å; T418-L471 HydrophobicContact CG2-CG 4.45Å; T418-L471 PolarHBondContact N-O 3.07Å; T418-L471 PolarHBondContact O-N 3.22Å; T418-L504 HydrophobicContact CG2-CB 4.37Å; T418-L504 HydrophobicContact CG2-CD1 4.24Å; T418-T505 PolarHBondContact OG1-O 3.33Å; T418-Q506 PolarHBondContact OG1-O 3.33Å; T418-W507 HydrophobicContact CG2-CD2 4.37Å; T418-W507 HydrophobicContact CG2-CE3 4.09Å; T418-W507 HydrophobicContact CG2-CH2 3.43Å; T418-W507 VanDerWaalsContact CG2-CH2 3.43Å; T418-W507 HydrophobicContact CG2-CZ2 3.73Å; T418-W507 HydrophobicContact CG2-CZ3 3.63Å
419	Y	97.4	Very high	95.7	Very high	105 Å²	105	47.3 Å²	47.3	41%	0.412	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143.5	178.7	-63	-89.2	0	0	0	110.5	T421 G468 S469 K470 M508	Y419-T421 PolarHBondContact O-N 2.85Å; Y419-G468 WeakPolarHBondContact CD1-O 3.38Å; Y419-S469 WeakPolarHBondContact CA-O 3.48Å; Y419-K470 HydrophobicContact CD1-CB 4.35Å; Y419-K470 HydrophobicContact CE1-CB 4.17Å; Y419-K470 HydrophobicContact CE1-CG 4.19Å; Y419-M508 HydrophobicContact CD2-CE 4.49Å; Y419-M508 HydrophobicContact CE2-CE 3.5Å; Y419-M508 VanDerWaalsContact CE2-CE 3.5Å
420	M	94.6	Very high	95.8	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.02	23%	0.234	C	C	.	.			trans	-68.6	126.2	174.4	-65.5	-172.2	176.6	0	0	110.2	V445 L463 G468 S469 L499	M420-V445 HydrophobicContact CE-CB 4.43Å; M420-V445 HydrophobicContact CE-CG1 3.84Å; M420-V445 HydrophobicContact CE-CG2 3.63Å; M420-L463 HydrophobicContact CE-CB 4.45Å; M420-G468 PolarHBondContact O-N 2.92Å; M420-S469 PolarHBondContact N-O 3.43Å; M420-L499 HydrophobicContact CE-CD2 4.4Å
421	T	91.6	Very high	96.1	Very high	78 Å²	78	49.2 Å²	49.2	48%	0.479	24%	0.241	S	C	.	.	S	Bend	trans	-83.8	-16.7	-179.3	53.2	0	0	0	0	113	Y419	Y419-T421 PolarHBondContact O-N 2.85Å
422	H	91.4	Very high	96.2	Very high	117 Å²	117	47.1 Å²	47.1	54%	0.542	23%	0.234	S	C	.	.	S	Bend	trans	-138.2	153.1	-179.3	-53.7	-67.1	0	0	0	110.4
423	T	93.3	Very high	96.1	Very high	51 Å²	51	48.4 Å²	48.4	31%	0.313	24%	0.242	S	C	.	.			trans	-77.8	131.8	171.5	-61.1	0	0	0	0	109.8	F425 K466 V467	T423-F425 HydrophobicContact CG2-CD1 4.08Å; T423-F425 HydrophobicContact CG2-CD2 4.11Å; T423-F425 HydrophobicContact CG2-CE1 3.61Å; T423-F425 HydrophobicContact CG2-CE2 3.64Å; T423-F425 HydrophobicContact CG2-CG 4.32Å; T423-F425 HydrophobicContact CG2-CZ 3.38Å; T423-K466 HydrophobicContact CG2-CG 4.48Å; T423-V467 PolarHBondContact OG1-N 3.09Å
424	I	93.1	Very high	95.9	Very high	28 Å²	28	54.8 Å²	54.8	14%	0.144	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	106.4	-179.3	-63.4	175.9	0	0	0	108.1	E426 T428 G465 L499	I424-E426 WeakPolarHBondContact CG2-O 3.39Å; I424-T428 WeakPolarHBondContact CG2-OG1 3.44Å; I424-G465 PolarHBondContact N-O 2.87Å; I424-G465 PolarHBondContact O-N 2.79Å; I424-L499 HydrophobicContact CD1-CD1 3.94Å; I424-L499 HydrophobicContact CD1-CD2 3.31Å; I424-L499 HydrophobicContact CD1-CG 3.55Å
425	F	91.3	Very high	95.6	Very high	176 Å²	176	57.2 Å²	57.2	77%	0.772	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	-23.1	-178.7	-62.6	-76.3	0	0	0	113.4	T423	T423-F425 HydrophobicContact CG2-CD1 4.08Å; T423-F425 HydrophobicContact CG2-CD2 4.11Å; T423-F425 HydrophobicContact CG2-CE1 3.61Å; T423-F425 HydrophobicContact CG2-CE2 3.64Å; T423-F425 HydrophobicContact CG2-CG 4.32Å; T423-F425 HydrophobicContact CG2-CZ 3.38Å
426	E	94.3	Very high	95.5	Very high	151 Å²	151	57.2 Å²	57.2	71%	0.706	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.6	147.5	-178.3	-64.5	-173.8	176.6	0	0	111.1	I424 T428	I424-E426 WeakPolarHBondContact CG2-O 3.39Å; E426-T428 PolarHBondContact O-N 3.06Å; E426-T428 PolarHBondContact O-OG1 3.32Å
427	P	96	Very high	95.5	Very high	80 Å²	80	57.6 Å²	57.6	52%	0.519	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	107.2	178.4	-25.1	33.9	0	0	0	111.9	F462 M464	P427-F462 HydrophobicContact CB-CB 3.85Å; P427-F462 HydrophobicContact CB-CD1 4.48Å; P427-M464 HydrophobicContact CG-CE 4.48Å; P427-M464 HydrophobicContact CG-CG 4.29Å; P427-M464 HydrophobicContact CG-SD 3.87Å
428	T	97.1	Very high	95.5	Very high	32 Å²	32	57.2 Å²	57.2	20%	0.196	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135.1	-173.6	-65.9	0	0	0	0	110.4	I424 E426 F430 F462 L463 L499 G500	I424-T428 WeakPolarHBondContact CG2-OG1 3.44Å; E426-T428 PolarHBondContact O-N 3.06Å; E426-T428 PolarHBondContact O-OG1 3.32Å; T428-F430 PolarHBondContact O-N 3.05Å; T428-F462 CarbonylContact O-C 3.58Å; T428-F462 WeakPolarHBondContact O-CA 3.42Å; T428-L463 PolarHBondContact N-O 3.32Å; T428-L463 PolarHBondContact O-N 2.89Å; T428-L499 HydrophobicContact CG2-CD1 4.03Å; T428-L499 HydrophobicContact CG2-CG 4.43Å; T428-G500 VanDerWaalsContact CG2-CA 3.48Å
429	P	97.4	Very high	95.5	Very high	48 Å²	48	57 Å²	57	31%	0.312	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	133	-177.2	-16.8	26.4	0	0	0	112	W431 L461 F462 L499 G500	P429-W431 HydrophobicContact CB-CE3 3.89Å; P429-W431 HydrophobicContact CB-CZ3 3.75Å; P429-W431 WeakPolarHBondContact O-CZ3 3.45Å; P429-L461 CarbonylContact C-O 3.58Å; P429-L461 WeakPolarHBondContact CA-O 3.29Å; P429-F462 HydrophobicContact CB-CD1 4.43Å; P429-F462 HydrophobicContact CB-CE1 4.24Å; P429-F462 HydrophobicContact CG-CD1 4.13Å; P429-F462 HydrophobicContact CG-CE1 3.78Å; P429-L499 WeakPolarHBondContact O-CA 3.36Å; P429-G500 PolarHBondContact O-N 2.85Å
430	F	97.8	Very high	95.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.8	174.3	173.3	-102.8	0	0	0	109	T428 V443 L453 K460 L461 L463 L471 I473 P497 I498 L499 L504	T428-F430 PolarHBondContact O-N 3.05Å; F430-V443 HydrophobicContact CD1-CG1 4.43Å; F430-V443 HydrophobicContact CD1-CG2 4.36Å; F430-V443 HydrophobicContact CE1-CG1 4.22Å; F430-V443 HydrophobicContact CE1-CG2 3.81Å; F430-L453 HydrophobicContact CD1-CD1 3.97Å; F430-L453 HydrophobicContact CE1-CD1 3.59Å; F430-K460 CarbonylContact O-C 3.51Å; F430-K460 WeakPolarHBondContact O-CA 3.42Å; F430-L461 HydrophobicContact CD1-CB 4.47Å; F430-L461 PolarHBondContact N-O 3.02Å; F430-L461 PolarHBondContact O-N 3.08Å; F430-L463 HydrophobicContact CB-CD1 3.51Å; F430-L463 HydrophobicContact CB-CG 3.6Å; F430-L463 HydrophobicContact CD1-CD1 3.86Å; F430-L463 HydrophobicContact CD1-CG 4.45Å; F430-L463 HydrophobicContact CD2-CD1 3.78Å; F430-L463 HydrophobicContact CG-CD1 3.41Å; F430-L463 VanDerWaalsContact CG-CD1 3.41Å; F430-L463 HydrophobicContact CG-CG 4.05Å; F430-L471 HydrophobicContact CE2-CD2 3.94Å; F430-L471 HydrophobicContact CZ-CD2 4.41Å; F430-I473 HydrophobicContact CE1-CD1 4.34Å; F430-I473 HydrophobicContact CE2-CD1 4.39Å; F430-I473 HydrophobicContact CZ-CD1 3.54Å; F430-I473 HydrophobicContact CZ-CG1 4.31Å; F430-P497 HydrophobicContact CE2-CB 3.56Å; F430-P497 HydrophobicContact CZ-CB 3.78Å; F430-P497 HydrophobicContact CZ-CG 4.45Å; F430-I498 WeakPolarHBondContact CA-O 3.4Å; F430-L499 HydrophobicContact CB-CD1 3.98Å; F430-L499 HydrophobicContact CD2-CB 4.42Å; F430-L499 HydrophobicContact CD2-CD1 4.41Å; F430-L504 HydrophobicContact CD2-CD1 4.36Å; F430-L504 HydrophobicContact CE2-CD1 3.88Å
431	W	97.8	Very high	95.7	Very high	78 Å²	78	52.6 Å²	52.6	30%	0.295	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	171.2	-178.3	72	100.3	0	0	0	111.7	P429 D459 K460 P497 I498 G500	P429-W431 HydrophobicContact CB-CE3 3.89Å; P429-W431 HydrophobicContact CB-CZ3 3.75Å; P429-W431 WeakPolarHBondContact O-CZ3 3.45Å; W431-D459 WeakPolarHBondContact CA-O 3.35Å; W431-D459 WeakPolarHBondContact CB-O 3.37Å; W431-K460 HydrophobicContact CB-CB 4.15Å; W431-P497 WeakPolarHBondContact O-CA 3.39Å; W431-I498 HydrophobicContact CD2-CB 4.16Å; W431-I498 HydrophobicContact CE3-CB 4.39Å; W431-I498 HydrophobicContact CE3-CG2 4.4Å; W431-I498 HydrophobicContact CH2-CB 4.29Å; W431-I498 HydrophobicContact CH2-CG2 3.61Å; W431-I498 HydrophobicContact CZ2-CB 4Å; W431-I498 HydrophobicContact CZ2-CD1 4.15Å; W431-I498 HydrophobicContact CZ2-CG2 3.66Å; W431-I498 HydrophobicContact CZ3-CB 4.43Å; W431-I498 HydrophobicContact CZ3-CG2 3.95Å; W431-I498 PolarHBondContact N-O 2.7Å; W431-I498 PolarHBondContact O-N 2.82Å; W431-G500 WeakPolarHBondContact CH2-O 3.13Å; W431-G500 WeakPolarHBondContact CZ3-O 3.19Å
432	V	97.6	Very high	96	Very high	6 Å²	6	48.9 Å²	48.9	4%	0.036	25%	0.249	C	C	.	.			trans	-118.8	121.2	171.2	-173.8	0	0	0	0	107.9	V437 L453 L493 E495 P497	V432-V437 HydrophobicContact CB-CG2 3.79Å; V432-V437 HydrophobicContact CG2-CG2 3.5Å; V432-L453 HydrophobicContact CG2-CD1 4.3Å; V432-L493 HydrophobicContact CG2-CD2 4.2Å; V432-E495 HydrophobicContact CG1-CB 3.82Å; V432-E495 WeakPolarHBondContact CG1-O 3.37Å; V432-P497 HydrophobicContact CG2-CB 4.16Å; V432-P497 HydrophobicContact CG2-CG 4.04Å
433	P	96.1	Very high	96.3	Very high	31 Å²	31	43.3 Å²	43.3	20%	0.201	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-56.7	162.9	-179.1	-26.4	35.5	0	0	0	113.6	N435 G436 E495 P496 I498	P433-N435 PolarHBondContact O-N 3.01Å; P433-G436 WeakPolarHBondContact O-CA 3.43Å; P433-G436 PolarHBondContact O-N 3.09Å; P433-E495 HydrophobicContact CB-CB 4.46Å; P433-P496 WeakPolarHBondContact CD-O 3.38Å; P433-I498 HydrophobicContact CG-CD1 3.5Å; P433-I498 HydrophobicContact CG-CG1 3.98Å
434	N	93.9	Very high	96.5	Very high	134 Å²	134	41.2 Å²	41.2	72%	0.717	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	51.8	30.5	172.4	-54.9	-31	0	0	0	114.4	G436 E495	N434-G436 PolarHBondContact O-N 3.23Å; N434-E495 HydrophobicContact CB-CG 4.25Å; N434-E495 PolarHBondContact ND2-OE1 2.87Å; N434-E495 VanDerWaalsContact ND2-OE1 3.09Å
435	N	92.9	Very high	96.7	Very high	50 Å²	50	40.3 Å²	40.3	27%	0.267	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	57.2	35.2	-174.7	-176.1	66	0	0	0	112.7	P433 V437 H438 R455 N456	P433-N435 PolarHBondContact O-N 3.01Å; N435-V437 PolarHBondContact O-N 3.35Å; N435-H438 PolarHBondContact O-CD2 3.35Å; N435-H438 PolarHBondContact O-NE2 3.01Å; N435-R455 VanDerWaalsContact ND2-CG 3.34Å; N435-R455 WeakPolarHBondContact ND2-CG 3.28Å; N435-N456 PolarHBondContact ND2-ND2 3.02Å; N435-N456 PolarHBondContact OD1-N 3.26Å
436	G	96.3	Very high	96.9	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.01	19%	0.193	C	C	.	.			trans	-73.9	8.6	-171.7	0	0	0	0	0	116.3	P433 N434 L493 L494	P433-G436 WeakPolarHBondContact O-CA 3.43Å; P433-G436 PolarHBondContact O-N 3.09Å; N434-G436 PolarHBondContact O-N 3.23Å; G436-L493 WeakPolarHBondContact O-CA 3.35Å; G436-L494 PolarHBondContact O-N 3.04Å
437	V	98.3	Very high	96.7	Very high	8 Å²	8	31 Å²	31	5%	0.048	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	108.2	169	176.5	0	0	0	0	109.3	V432 N435 A441 L453 R455 L493	V432-V437 HydrophobicContact CB-CG2 3.79Å; V432-V437 HydrophobicContact CG2-CG2 3.5Å; N435-V437 PolarHBondContact O-N 3.35Å; V437-A441 HydrophobicContact CG1-CB 3.57Å; V437-A441 HydrophobicContact CG2-CB 4.4Å; V437-L453 HydrophobicContact CG1-CB 4.4Å; V437-L453 HydrophobicContact CG2-CB 3.99Å; V437-L453 HydrophobicContact CG2-CD1 3.99Å; V437-R455 WeakPolarHBondContact O-CB 3.11Å; V437-L493 HydrophobicContact CG2-CD2 4.25Å
438	H	98.2	Very high	96.6	Very high	19 Å²	19	31.3 Å²	31.3	9%	0.088	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	93.6	179.7	-81.1	-147	0	0	0	110.7	N435 R455 V475 D489 F490 K491 G492 L494	N435-H438 PolarHBondContact O-CD2 3.35Å; N435-H438 PolarHBondContact O-NE2 3.01Å; H438-R455 PolarHBondContact CE1-NH2 3.35Å; H438-R455 PolarHBondContact ND1-NH1 3.01Å; H438-R455 PolarHBondContact NE2-NE 2.68Å; H438-V475 WeakPolarHBondContact O-CG1 3.4Å; H438-D489 IonicContact CE1-OD1 3.96Å; H438-D489 IonicContact ND1-OD1 3.5Å; H438-D489 PolarHBondContact ND1-OD1 3.02Å; H438-F490 WeakPolarHBondContact CB-O 3Å; H438-F490 PolarHBondContact ND1-O 2.69Å; H438-K491 HydrophobicContact CB-CD 4.26Å; H438-G492 PolarHBondContact N-O 3.08Å; H438-G492 PolarHBondContact O-N 2.98Å; H438-L494 HydrophobicContact CB-CD1 4.45Å; H438-L494 HydrophobicContact CB-CG 4.29Å; H438-L494 WeakPolarHBondContact CE1-CD1 3.48Å; H438-L494 WeakPolarHBondContact ND1-CD1 3.08Å
439	D	98.3	Very high	96.5	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.177	C	C	.	.	S	Bend	cis	-123.5	-27.8	8.9	-50.4	-60.7	0	0	0	114.4	F322 R455 E476 M478 K491	F322-D439 HydrophobicContact CD1-CB 4.47Å; F322-D439 HydrophobicContact CE1-CB 3.89Å; F322-D439 HydrophobicContact CZ-CB 4.15Å; D439-R455 HydrophobicContact CB-CB 4.34Å; D439-R455 WeakPolarHBondContact O-CB 3.36Å; D439-R455 PolarHBondContact O-N 3.27Å; D439-R455 VanDerWaalsContact OD1-CD 3.28Å; D439-R455 WeakPolarHBondContact OD1-CD 3.49Å; D439-R455 IonicContact OD1-CZ 2.8Å; D439-R455 IonicContact OD1-NE 2.78Å; D439-R455 IonicContact OD1-NH1 3.69Å; D439-R455 PolarHBondContact OD1-NH1 3.36Å; D439-E476 PolarHBondContact N-O 2.76Å; D439-M478 HydrophobicContact CB-CB 3.88Å; D439-M478 HydrophobicContact CB-CG 3.88Å; D439-M478 HydrophobicContact CB-SD 4.12Å; D439-M478 PolarHBondContact OD2-N 2.81Å; D439-K491 IonicContact OD1-NZ 3.04Å; D439-K491 PolarHBondContact OD1-NZ 3.14Å; D439-K491 IonicContact OD2-NZ 3.09Å; D439-K491 PolarHBondContact OD2-NZ 3.12Å
440	R	98.3	Very high	96.4	Very high	16 Å²	16	32.9 Å²	32.9	6%	0.06	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	128.5	-179.6	-168.1	172.7	-174	74.1	0	109.9	Y442 V452 L453 E454 V475 E476 M478 E608	R440-Y442 WeakPolarHBondContact CD-OH 3.45Å; R440-Y442 HydrophobicContact CG-CE1 4.41Å; R440-Y442 HydrophobicContact CG-CE2 4.43Å; R440-V452 HydrophobicContact CG-CG1 3.43Å; R440-V452 VanDerWaalsContact CG-CG1 3.43Å; R440-V452 VanDerWaalsContact CZ-CG1 3.46Å; R440-L453 WeakPolarHBondContact CA-O 3.43Å; R440-E454 IonicContact CZ-OE2 2.87Å; R440-E454 IonicContact NH1-OE1 3.8Å; R440-E454 PolarHBondContact NH1-OE1 3.12Å; R440-E454 IonicContact NH1-OE2 3.23Å; R440-E454 PolarHBondContact NH1-OE2 3.29Å; R440-V475 CarbonylContact O-C 3.41Å; R440-V475 WeakPolarHBondContact O-CA 3.44Å; R440-E476 PolarHBondContact N-O 3.32Å; R440-E476 PolarHBondContact O-N 3.36Å; R440-M478 HydrophobicContact CB-CG 4.37Å; R440-M478 HydrophobicContact CB-SD 3.7Å; R440-E608 IonicContact CZ-OE1 2.73Å; R440-E608 VanDerWaalsContact CZ-OE1 3.23Å; R440-E608 IonicContact NE-OE1 3.81Å; R440-E608 PolarHBondContact NE-OE1 3.37Å; R440-E608 IonicContact NH2-OE1 2.74Å; R440-E608 PolarHBondContact NH2-OE1 3.27Å; R440-E608 IonicContact NH2-OE2 3.6Å
441	A	98.6	Very high	96.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	119.3	-174.4	0	0	0	0	0	111.4	V437 V452 L453 I473 L474 V475	V437-A441 HydrophobicContact CG1-CB 3.57Å; V437-A441 HydrophobicContact CG2-CB 4.4Å; A441-V452 CarbonylContact O-C 3.56Å; A441-V452 VanDerWaalsContact O-CA 3.28Å; A441-V452 WeakPolarHBondContact O-CA 3.5Å; A441-L453 HydrophobicContact CB-CB 4.2Å; A441-L453 PolarHBondContact N-O 2.69Å; A441-L453 PolarHBondContact O-N 2.86Å; A441-I473 HydrophobicContact CB-CG2 3.65Å; A441-L474 CarbonylContact C-O 3.41Å; A441-L474 WeakPolarHBondContact CA-O 3.42Å; A441-V475 HydrophobicContact CB-CG2 4.1Å
442	Y	98.4	Very high	96.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	112.3	177	-51.4	-83.9	0	0	0	108.6	R440 M444 F449 V452 L474 E476 P538 L607 E608	R440-Y442 WeakPolarHBondContact CD-OH 3.45Å; R440-Y442 HydrophobicContact CG-CE1 4.41Å; R440-Y442 HydrophobicContact CG-CE2 4.43Å; Y442-M444 VanDerWaalsContact O-CE 3.32Å; Y442-M444 WeakPolarHBondContact O-CE 3.23Å; Y442-F449 HydrophobicContact CD1-CE2 4.16Å; Y442-F449 HydrophobicContact CD1-CZ 4.47Å; Y442-V452 HydrophobicContact CD1-CG1 4.49Å; Y442-V452 HydrophobicContact CD1-CG2 3.78Å; Y442-V452 HydrophobicContact CE1-CG1 4.42Å; Y442-V452 HydrophobicContact CE1-CG2 4.04Å; Y442-L474 HydrophobicContact CD2-CB 4.33Å; Y442-L474 HydrophobicContact CD2-CD2 4.13Å; Y442-L474 HydrophobicContact CD2-CG 4.29Å; Y442-L474 VanDerWaalsContact CD2-O 3.28Å; Y442-L474 WeakPolarHBondContact CD2-O 3.37Å; Y442-L474 PolarHBondContact N-O 3.45Å; Y442-L474 PolarHBondContact O-N 3.43Å; Y442-E476 HydrophobicContact CE2-CB 4.12Å; Y442-E476 PolarHBondContact OH-OE2 3.49Å; Y442-P538 HydrophobicContact CG-CG 4.42Å; Y442-L607 HydrophobicContact CD1-CB 4.1Å; Y442-L607 WeakPolarHBondContact CD1-O 3.47Å; Y442-L607 HydrophobicContact CE1-CB 3.56Å; Y442-L607 HydrophobicContact CE2-CB 4.1Å; Y442-L607 HydrophobicContact CE2-CD1 3.95Å; Y442-L607 HydrophobicContact CE2-CD2 4.3Å; Y442-L607 HydrophobicContact CE2-CG 4.34Å; Y442-L607 VanDerWaalsContact OH-CD1 3.22Å; Y442-L607 WeakPolarHBondContact OH-CD1 3.48Å; Y442-E608 HydrophobicContact CD1-CG 4.08Å; Y442-E608 HydrophobicContact CE1-CG 3.57Å
443	V	98.3	Very high	96.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	131.2	-171.5	-176.4	0	0	0	0	109.9	F430 Q450 G451 L461 L463 L471 D472 I473	F430-V443 HydrophobicContact CD1-CG1 4.43Å; F430-V443 HydrophobicContact CD1-CG2 4.36Å; F430-V443 HydrophobicContact CE1-CG1 4.22Å; F430-V443 HydrophobicContact CE1-CG2 3.81Å; V443-Q450 HydrophobicContact CG1-CB 4.46Å; V443-Q450 PolarHBondContact O-N 2.71Å; V443-G451 PolarHBondContact N-O 3.46Å; V443-L461 HydrophobicContact CB-CD1 3.74Å; V443-L461 HydrophobicContact CG1-CD1 4.43Å; V443-L461 HydrophobicContact CG2-CD1 3.61Å; V443-L463 HydrophobicContact CG1-CD1 4.14Å; V443-L463 HydrophobicContact CG1-CD2 4.09Å; V443-L471 HydrophobicContact CG1-CD1 3.76Å; V443-D472 CarbonylContact C-O 3.46Å; V443-I473 HydrophobicContact CG2-CG2 4.41Å
444	M	97.4	Very high	96.4	Very high	7 Å²	7	29.3 Å²	29.3	3%	0.034	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	139	178.7	-64.9	149.9	-75.7	0	0	110.1	L384 Y442 V448 F449 D472 L474 P538	L384-M444 HydrophobicContact CD1-SD 4.09Å; L384-M444 HydrophobicContact CG-SD 4.43Å; Y442-M444 VanDerWaalsContact O-CE 3.32Å; Y442-M444 WeakPolarHBondContact O-CE 3.23Å; M444-V448 CarbonylContact C-O 3.45Å; M444-V448 WeakPolarHBondContact CA-O 3.44Å; M444-F449 HydrophobicContact CG-CB 4.37Å; M444-F449 HydrophobicContact CG-CD2 4.27Å; M444-D472 HydrophobicContact CB-CB 4.08Å; M444-D472 HydrophobicContact CE-CB 4.12Å; M444-D472 PolarHBondContact N-O 3.06Å; M444-D472 PolarHBondContact O-N 3.4Å; M444-L474 HydrophobicContact CE-CB 3.98Å; M444-P538 HydrophobicContact CE-CG 4.31Å; M444-P538 HydrophobicContact SD-CG 4.22Å
445	V	96.5	Very high	96.5	Very high	9 Å²	9	23.9 Å²	23.9	6%	0.055	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	122.7	173.2	177.1	0	0	0	0	108	M420 G447 V448 Q450 L463 K470 L471	M420-V445 HydrophobicContact CE-CB 4.43Å; M420-V445 HydrophobicContact CE-CG1 3.84Å; M420-V445 HydrophobicContact CE-CG2 3.63Å; V445-G447 PolarHBondContact O-N 3.32Å; V445-G447 VanDerWaalsContact O-N 3.14Å; V445-V448 PolarHBondContact N-O 3.09Å; V445-V448 WeakPolarHBondContact O-CB 3.43Å; V445-V448 PolarHBondContact O-N 3.43Å; V445-Q450 HydrophobicContact CB-CG 4.16Å; V445-Q450 HydrophobicContact CG2-CG 3.85Å; V445-L463 HydrophobicContact CG2-CD1 4.44Å; V445-L463 HydrophobicContact CG2-CD2 4.42Å; V445-K470 CarbonylContact C-O 3.58Å; V445-K470 WeakPolarHBondContact CA-O 3.44Å; V445-L471 HydrophobicContact CG2-CD1 3.85Å
446	D	94.5	Very high	96.5	Very high	93 Å²	93	24.8 Å²	24.8	50%	0.497	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	36	-173.4	-66.4	-39.8	0	0	0	113.1	V448 S469 K470	D446-V448 VanDerWaalsContact C-N 3.29Å; D446-V448 PolarHBondContact O-N 2.77Å; D446-S469 WeakPolarHBondContact OD1-CA 3.36Å; D446-S469 WeakPolarHBondContact OD2-CB 3.3Å; D446-S469 PolarHBondContact OD2-OG 3.16Å; D446-K470 PolarHBondContact N-O 3.11Å; D446-K470 PolarHBondContact OD1-N 2.81Å
447	G	91.6	Very high	96.1	Very high	38 Å²	38	28.1 Å²	28.1	39%	0.392	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	-2.8	-178.4	0	0	0	0	0	115.2	V445	V445-G447 PolarHBondContact O-N 3.32Å; V445-G447 VanDerWaalsContact O-N 3.14Å
448	V	92.8	Very high	95.8	Very high	87 Å²	87	33.8 Å²	33.8	53%	0.527	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	123.1	177.3	-176.6	0	0	0	0	110.2	M444 V445 D446 Q450	M444-V448 CarbonylContact C-O 3.45Å; M444-V448 WeakPolarHBondContact CA-O 3.44Å; V445-V448 PolarHBondContact N-O 3.09Å; V445-V448 WeakPolarHBondContact O-CB 3.43Å; V445-V448 PolarHBondContact O-N 3.43Å; D446-V448 VanDerWaalsContact C-N 3.29Å; D446-V448 PolarHBondContact O-N 2.77Å; V448-Q450 PolarHBondContact O-N 2.77Å; V448-Q450 PolarHBondContact O-NE2 3.3Å
449	F	95.2	Very high	95.4	Very high	39 Å²	39	37.6 Å²	37.6	17%	0.171	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	126.5	178.8	-177.6	-116.1	0	0	0	112.6	Y442 M444 G451 V452	Y442-F449 HydrophobicContact CD1-CE2 4.16Å; Y442-F449 HydrophobicContact CD1-CZ 4.47Å; M444-F449 HydrophobicContact CG-CB 4.37Å; M444-F449 HydrophobicContact CG-CD2 4.27Å; F449-G451 VanDerWaalsContact CE2-O 3.26Å; F449-G451 WeakPolarHBondContact CE2-O 3.45Å; F449-V452 HydrophobicContact CE2-CG2 4.27Å; F449-V452 HydrophobicContact CZ-CG2 3.71Å
450	Q	95.8	Very high	95.3	Very high	73 Å²	73	42.6 Å²	42.6	34%	0.341	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-23.2	-175.4	-57.2	-60.4	-47.5	0	0	112.9	V443 V445 V448 L463	V443-Q450 HydrophobicContact CG1-CB 4.46Å; V443-Q450 PolarHBondContact O-N 2.71Å; V445-Q450 HydrophobicContact CB-CG 4.16Å; V445-Q450 HydrophobicContact CG2-CG 3.85Å; V448-Q450 PolarHBondContact O-N 2.77Å; V448-Q450 PolarHBondContact O-NE2 3.3Å; Q450-L463 HydrophobicContact CB-CD2 3.67Å; Q450-L463 HydrophobicContact CG-CD2 3.83Å
451	G	95.9	Very high	95.2	Very high	10 Å²	10	42 Å²	42	10%	0.103	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.5	-164.4	-180	0	0	0	0	0	113.1	V443 F449	V443-G451 PolarHBondContact N-O 3.46Å; F449-G451 VanDerWaalsContact CE2-O 3.26Å; F449-G451 WeakPolarHBondContact CE2-O 3.45Å
452	V	97.6	Very high	95.1	Very high	10 Å²	10	47.5 Å²	47.5	6%	0.061	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131.7	-172.8	-172.9	0	0	0	0	111.2	R440 A441 Y442 F449 R458 E608	R440-V452 HydrophobicContact CG-CG1 3.43Å; R440-V452 VanDerWaalsContact CG-CG1 3.43Å; R440-V452 VanDerWaalsContact CZ-CG1 3.46Å; A441-V452 CarbonylContact O-C 3.56Å; A441-V452 VanDerWaalsContact O-CA 3.28Å; A441-V452 WeakPolarHBondContact O-CA 3.5Å; Y442-V452 HydrophobicContact CD1-CG1 4.49Å; Y442-V452 HydrophobicContact CD1-CG2 3.78Å; Y442-V452 HydrophobicContact CE1-CG1 4.42Å; Y442-V452 HydrophobicContact CE1-CG2 4.04Å; F449-V452 HydrophobicContact CE2-CG2 4.27Å; F449-V452 HydrophobicContact CZ-CG2 3.71Å; V452-R458 VanDerWaalsContact O-CD 3.23Å; V452-R458 WeakPolarHBondContact O-CD 3.31Å; V452-E608 HydrophobicContact CG2-CG 4.14Å
453	L	98.1	Very high	95	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	144.4	159.7	-62.6	175.6	0	0	0	109.4	F430 V432 V437 R440 A441 R458 D459 K460 L461	F430-L453 HydrophobicContact CD1-CD1 3.97Å; F430-L453 HydrophobicContact CE1-CD1 3.59Å; V432-L453 HydrophobicContact CG2-CD1 4.3Å; V437-L453 HydrophobicContact CG1-CB 4.4Å; V437-L453 HydrophobicContact CG2-CB 3.99Å; V437-L453 HydrophobicContact CG2-CD1 3.99Å; R440-L453 WeakPolarHBondContact CA-O 3.43Å; A441-L453 HydrophobicContact CB-CB 4.2Å; A441-L453 PolarHBondContact N-O 2.69Å; A441-L453 PolarHBondContact O-N 2.86Å; L453-R458 CarbonylContact C-O 3.57Å; L453-R458 WeakPolarHBondContact CA-O 3.21Å; L453-D459 VanDerWaalsContact CD2-C 3.44Å; L453-D459 WeakPolarHBondContact CD2-O 3.42Å; L453-K460 VanDerWaalsContact CD2-C 3.46Å; L453-L461 HydrophobicContact CD2-CB 4.48Å; L453-L461 HydrophobicContact CD2-CD1 4.37Å; L453-L461 HydrophobicContact CD2-CG 3.76Å; L453-L461 HydrophobicContact CG-CD1 4.15Å; L453-L461 HydrophobicContact CG-CG 4.1Å
454	E	96.8	Very high	94.9	Very high	19 Å²	19	52.2 Å²	52.2	9%	0.089	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	128.3	-174	-175.3	173.8	-155	0	0	111.9	R440 N456 M457 R458 W577 R580	R440-E454 IonicContact CZ-OE2 2.87Å; R440-E454 IonicContact NH1-OE1 3.8Å; R440-E454 PolarHBondContact NH1-OE1 3.12Å; R440-E454 IonicContact NH1-OE2 3.23Å; R440-E454 PolarHBondContact NH1-OE2 3.29Å; E454-N456 PolarHBondContact O-N 3.07Å; E454-M457 HydrophobicContact CB-CB 4.32Å; E454-M457 HydrophobicContact CG-CB 4.12Å; E454-M457 HydrophobicContact CG-CE 3.74Å; E454-M457 PolarHBondContact O-N 3.23Å; E454-M457 WeakPolarHBondContact OE1-CE 3.47Å; E454-R458 HydrophobicContact CB-CB 4.31Å; E454-R458 PolarHBondContact N-O 2.95Å; E454-R458 PolarHBondContact O-N 2.68Å; E454-W577 WeakPolarHBondContact OE1-CH2 3.39Å; E454-R580 IonicContact OE1-CZ 2.72Å; E454-R580 IonicContact OE1-NE 2.76Å; E454-R580 IonicContact OE1-NH1 3.53Å; E454-R580 IonicContact OE1-NH2 3.5Å; E454-R580 PolarHBondContact OE1-NH2 3.44Å; E454-R580 IonicContact OE2-NH2 2.91Å; E454-R580 PolarHBondContact OE2-NH2 2.76Å
455	R	96.9	Very high	94.7	Very high	20 Å²	20	52.6 Å²	52.6	8%	0.075	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	126.4	175.8	-163.8	178.9	175.7	174.3	2	111.4	F322 N435 V437 H438 D439 M457 D489	F322-R455 HydrophobicContact CB-CG 4.24Å; F322-R455 VanDerWaalsContact CD2-NH1 3.32Å; N435-R455 VanDerWaalsContact ND2-CG 3.34Å; N435-R455 WeakPolarHBondContact ND2-CG 3.28Å; V437-R455 WeakPolarHBondContact O-CB 3.11Å; H438-R455 PolarHBondContact CE1-NH2 3.35Å; H438-R455 PolarHBondContact ND1-NH1 3.01Å; H438-R455 PolarHBondContact NE2-NE 2.68Å; D439-R455 HydrophobicContact CB-CB 4.34Å; D439-R455 WeakPolarHBondContact O-CB 3.36Å; D439-R455 PolarHBondContact O-N 3.27Å; D439-R455 VanDerWaalsContact OD1-CD 3.28Å; D439-R455 WeakPolarHBondContact OD1-CD 3.49Å; D439-R455 IonicContact OD1-CZ 2.8Å; D439-R455 IonicContact OD1-NE 2.78Å; D439-R455 IonicContact OD1-NH1 3.69Å; D439-R455 PolarHBondContact OD1-NH1 3.36Å; R455-M457 PolarHBondContact O-N 3.34Å; R455-M457 VanDerWaalsContact O-N 3.09Å; R455-D489 IonicContact CZ-OD1 3.33Å; R455-D489 VanDerWaalsContact CZ-OD1 3.25Å; R455-D489 IonicContact NH1-OD1 3.95Å; R455-D489 PolarHBondContact NH1-OD1 3.06Å; R455-D489 IonicContact NH1-OD2 2.76Å; R455-D489 PolarHBondContact NH1-OD2 3.07Å; R455-D489 IonicContact NH2-OD1 2.7Å; R455-D489 PolarHBondContact NH2-OD1 2.7Å
456	N	92.4	Very high	94.6	Very high	70 Å²	70	59.3 Å²	59.3	37%	0.374	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	9.9	179.9	-51.7	129.8	0	0	0	116.2	R321 F322 N435 E454	R321-N456 HydrophobicContact CB-CB 3.96Å; F322-N456 WeakPolarHBondContact CB-OD1 3.47Å; F322-N456 PolarHBondContact N-OD1 3.22Å; N435-N456 PolarHBondContact ND2-ND2 3.02Å; N435-N456 PolarHBondContact OD1-N 3.26Å; E454-N456 PolarHBondContact O-N 3.07Å
457	M	89.1	Confident	94.7	Very high	71 Å²	71	59.3 Å²	59.3	35%	0.35	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.3	-49.5	-178.5	-78	-177.7	-88.4	0	0	114.1	E454 R455 R580	E454-M457 HydrophobicContact CB-CB 4.32Å; E454-M457 HydrophobicContact CG-CB 4.12Å; E454-M457 HydrophobicContact CG-CE 3.74Å; E454-M457 PolarHBondContact O-N 3.23Å; E454-M457 WeakPolarHBondContact OE1-CE 3.47Å; R455-M457 PolarHBondContact O-N 3.34Å; R455-M457 VanDerWaalsContact O-N 3.09Å; M457-R580 PolarHBondContact SD-NH1 2.81Å; M457-R580 VanDerWaalsContact SD-NH1 3.36Å; M457-R580 PolarHBondContact SD-NH2 2.84Å
458	R	90.3	Very high	94.8	Very high	126 Å²	126	59.7 Å²	59.7	48%	0.475	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-133.5	101.3	-178	-174.4	168.2	178.8	-176.5	7	109.8	V452 L453 E454	V452-R458 VanDerWaalsContact O-CD 3.23Å; V452-R458 WeakPolarHBondContact O-CD 3.31Å; L453-R458 CarbonylContact C-O 3.57Å; L453-R458 WeakPolarHBondContact CA-O 3.21Å; E454-R458 HydrophobicContact CB-CB 4.31Å; E454-R458 PolarHBondContact N-O 2.95Å; E454-R458 PolarHBondContact O-N 2.68Å
459	D	90.6	Very high	95	Very high	99 Å²	99	55.9 Å²	55.9	53%	0.529	28%	0.283	S	S	.	.			trans	-89.6	-19.5	-172.6	63.1	-16.3	0	0	0	113.8	W431 L453	W431-D459 WeakPolarHBondContact CA-O 3.35Å; W431-D459 WeakPolarHBondContact CB-O 3.37Å; L453-D459 VanDerWaalsContact CD2-C 3.44Å; L453-D459 WeakPolarHBondContact CD2-O 3.42Å
460	K	95.1	Very high	95.1	Very high	107 Å²	107	57.5 Å²	57.5	47%	0.465	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.1	-176.9	66.2	-166.5	162.8	-169.5	0	115.7	F430 W431 L453	F430-K460 CarbonylContact O-C 3.51Å; F430-K460 WeakPolarHBondContact O-CA 3.42Å; W431-K460 HydrophobicContact CB-CB 4.15Å; L453-K460 VanDerWaalsContact CD2-C 3.46Å
461	L	96.6	Very high	95.2	Very high	3 Å²	3	54 Å²	54	2%	0.016	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	170.6	165.1	-65.5	178.2	0	0	0	109.4	P429 F430 V443 L453 L463	P429-L461 CarbonylContact C-O 3.58Å; P429-L461 WeakPolarHBondContact CA-O 3.29Å; F430-L461 HydrophobicContact CD1-CB 4.47Å; F430-L461 PolarHBondContact N-O 3.02Å; F430-L461 PolarHBondContact O-N 3.08Å; V443-L461 HydrophobicContact CB-CD1 3.74Å; V443-L461 HydrophobicContact CG1-CD1 4.43Å; V443-L461 HydrophobicContact CG2-CD1 3.61Å; L453-L461 HydrophobicContact CD2-CB 4.48Å; L453-L461 HydrophobicContact CD2-CD1 4.37Å; L453-L461 HydrophobicContact CD2-CG 3.76Å; L453-L461 HydrophobicContact CG-CD1 4.15Å; L453-L461 HydrophobicContact CG-CG 4.1Å; L461-L463 HydrophobicContact CB-CD2 4.48Å
462	F	97.2	Very high	95.4	Very high	116 Å²	116	53.6 Å²	53.6	51%	0.509	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.3	171.5	-64.8	-97.5	0	0	0	108.2	P427 T428 P429	P427-F462 HydrophobicContact CB-CB 3.85Å; P427-F462 HydrophobicContact CB-CD1 4.48Å; T428-F462 CarbonylContact O-C 3.58Å; T428-F462 WeakPolarHBondContact O-CA 3.42Å; P429-F462 HydrophobicContact CB-CD1 4.43Å; P429-F462 HydrophobicContact CB-CE1 4.24Å; P429-F462 HydrophobicContact CG-CD1 4.13Å; P429-F462 HydrophobicContact CG-CE1 3.78Å
463	L	96.4	Very high	95.4	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	151	-175	-57.2	-176.2	0	0	0	110.7	M420 T428 F430 V443 V445 Q450 L461 L471 L499	M420-L463 HydrophobicContact CE-CB 4.45Å; T428-L463 PolarHBondContact N-O 3.32Å; T428-L463 PolarHBondContact O-N 2.89Å; F430-L463 HydrophobicContact CB-CD1 3.51Å; F430-L463 HydrophobicContact CB-CG 3.6Å; F430-L463 HydrophobicContact CD1-CD1 3.86Å; F430-L463 HydrophobicContact CD1-CG 4.45Å; F430-L463 HydrophobicContact CD2-CD1 3.78Å; F430-L463 HydrophobicContact CG-CD1 3.41Å; F430-L463 VanDerWaalsContact CG-CD1 3.41Å; F430-L463 HydrophobicContact CG-CG 4.05Å; V443-L463 HydrophobicContact CG1-CD1 4.14Å; V443-L463 HydrophobicContact CG1-CD2 4.09Å; V445-L463 HydrophobicContact CG2-CD1 4.44Å; V445-L463 HydrophobicContact CG2-CD2 4.42Å; Q450-L463 HydrophobicContact CB-CD2 3.67Å; Q450-L463 HydrophobicContact CG-CD2 3.83Å; L461-L463 HydrophobicContact CB-CD2 4.48Å; L463-L471 HydrophobicContact CD1-CD1 3.88Å; L463-L499 HydrophobicContact CB-CD1 4.13Å; L463-L499 HydrophobicContact CD1-CD1 4.38Å
464	M	95.3	Very high	95.4	Very high	97 Å²	97	53.1 Å²	53.1	48%	0.478	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	154.6	166.8	-64	-178	-67.5	0	0	108	P427	P427-M464 HydrophobicContact CG-CE 4.48Å; P427-M464 HydrophobicContact CG-CG 4.29Å; P427-M464 HydrophobicContact CG-SD 3.87Å
465	G	93.7	Very high	95.5	Very high	15 Å²	15	52.2 Å²	52.2	16%	0.155	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173	169.2	179.6	0	0	0	0	0	112.4	I424	I424-G465 PolarHBondContact N-O 2.87Å; I424-G465 PolarHBondContact O-N 2.79Å
466	K	95.4	Very high	95.6	Very high	151 Å²	151	51.2 Å²	51.2	66%	0.657	26%	0.258	S	S	*	.			trans	-97.1	160.3	-179.8	-63.9	178.5	-177.1	177.3	0	109.8	T423 G468 S469	T423-K466 HydrophobicContact CG2-CG 4.48Å; K466-G468 PolarHBondContact O-N 3.25Å; K466-S469 PolarHBondContact N-OG 3.3Å; K466-S469 WeakPolarHBondContact O-CB 3.5Å; K466-S469 PolarHBondContact O-N 2.92Å; K466-S469 PolarHBondContact O-OG 2.87Å
467	V	94.9	Very high	95.9	Very high	92 Å²	92	47.9 Å²	47.9	56%	0.558	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	132.6	165.3	62.5	0	0	0	0	109.9	T423 S469	T423-V467 PolarHBondContact OG1-N 3.09Å; V467-S469 VanDerWaalsContact C-N 3.27Å; V467-S469 PolarHBondContact O-N 3.11Å
468	G	95.3	Very high	96.4	Very high	46 Å²	46	44.7 Å²	44.7	47%	0.474	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	-3.2	-175.2	0	0	0	0	0	115.2	Y419 M420 K466 K470	Y419-G468 WeakPolarHBondContact CD1-O 3.38Å; M420-G468 PolarHBondContact O-N 2.92Å; K466-G468 PolarHBondContact O-N 3.25Å; G468-K470 PolarHBondContact O-N 3.2Å
469	S	96.9	Very high	96.7	Very high	8 Å²	8	38.7 Å²	38.7	6%	0.056	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-58.1	136.1	170.5	-79.8	0	0	0	0	110.2	Y419 M420 D446 K466 V467	Y419-S469 WeakPolarHBondContact CA-O 3.48Å; M420-S469 PolarHBondContact N-O 3.43Å; D446-S469 WeakPolarHBondContact OD1-CA 3.36Å; D446-S469 WeakPolarHBondContact OD2-CB 3.3Å; D446-S469 PolarHBondContact OD2-OG 3.16Å; K466-S469 PolarHBondContact N-OG 3.3Å; K466-S469 WeakPolarHBondContact O-CB 3.5Å; K466-S469 PolarHBondContact O-N 2.92Å; K466-S469 PolarHBondContact O-OG 2.87Å; V467-S469 VanDerWaalsContact C-N 3.27Å; V467-S469 PolarHBondContact O-N 3.11Å
470	K	97.3	Very high	97.1	Very high	73 Å²	73	34 Å²	34	32%	0.317	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	119	-178.1	-172.3	-172.5	-53.2	179.1	0	109.6	R417 Y419 V445 D446 G468 D472	R417-K470 HydrophobicContact CG-CG 4.09Å; Y419-K470 HydrophobicContact CD1-CB 4.35Å; Y419-K470 HydrophobicContact CE1-CB 4.17Å; Y419-K470 HydrophobicContact CE1-CG 4.19Å; V445-K470 CarbonylContact C-O 3.58Å; V445-K470 WeakPolarHBondContact CA-O 3.44Å; D446-K470 PolarHBondContact N-O 3.11Å; D446-K470 PolarHBondContact OD1-N 2.81Å; G468-K470 PolarHBondContact O-N 3.2Å; K470-D472 WeakPolarHBondContact CD-OD2 3.28Å
471	L	98.1	Very high	97.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	116.5	174.5	179.2	64.8	0	0	0	109.3	R417 T418 F430 V443 V445 L463 I473 L504	R417-L471 VanDerWaalsContact CA-O 3.3Å; R417-L471 WeakPolarHBondContact CA-O 3.44Å; T418-L471 HydrophobicContact CG2-CB 4.11Å; T418-L471 HydrophobicContact CG2-CD2 4.01Å; T418-L471 HydrophobicContact CG2-CG 4.45Å; T418-L471 PolarHBondContact N-O 3.07Å; T418-L471 PolarHBondContact O-N 3.22Å; F430-L471 HydrophobicContact CE2-CD2 3.94Å; F430-L471 HydrophobicContact CZ-CD2 4.41Å; V443-L471 HydrophobicContact CG1-CD1 3.76Å; V445-L471 HydrophobicContact CG2-CD1 3.85Å; L463-L471 HydrophobicContact CD1-CD1 3.88Å; L471-I473 HydrophobicContact CG-CG1 4.36Å; L471-L504 HydrophobicContact CD2-CD1 3.42Å; L471-L504 VanDerWaalsContact CD2-CD1 3.42Å
472	D	98.5	Very high	97.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.1	-179.6	-85.9	-46.4	0	0	0	110	L384 L415 R417 V443 M444 K470	L384-D472 HydrophobicContact CD1-CB 4.4Å; L384-D472 WeakPolarHBondContact CD1-OD2 3.3Å; L415-D472 HydrophobicContact CD1-CB 3.97Å; R417-D472 WeakPolarHBondContact CB-OD1 3.37Å; R417-D472 IonicContact CZ-OD1 2.95Å; R417-D472 VanDerWaalsContact CZ-OD1 3.26Å; R417-D472 IonicContact CZ-OD2 3.77Å; R417-D472 IonicContact NE-OD1 2.65Å; R417-D472 PolarHBondContact NE-OD1 2.87Å; R417-D472 IonicContact NE-OD2 3.7Å; R417-D472 PolarHBondContact NE-OD2 3.06Å; R417-D472 VanDerWaalsContact NH2-CG 3.29Å; R417-D472 IonicContact NH2-OD1 3.19Å; R417-D472 PolarHBondContact NH2-OD1 3.06Å; R417-D472 IonicContact NH2-OD2 2.78Å; R417-D472 PolarHBondContact NH2-OD2 3.13Å; V443-D472 CarbonylContact C-O 3.46Å; M444-D472 HydrophobicContact CB-CB 4.08Å; M444-D472 HydrophobicContact CE-CB 4.12Å; M444-D472 PolarHBondContact N-O 3.06Å; M444-D472 PolarHBondContact O-N 3.4Å; K470-D472 WeakPolarHBondContact CD-OD2 3.28Å
473	I	98.6	Very high	97.1	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	101.3	179	-50.8	168.6	0	0	0	107.9	Y416 F430 A441 V443 L471 V475 L493 P497 W507	Y416-I473 PolarHBondContact N-O 3.21Å; Y416-I473 PolarHBondContact O-N 3.29Å; F430-I473 HydrophobicContact CE1-CD1 4.34Å; F430-I473 HydrophobicContact CE2-CD1 4.39Å; F430-I473 HydrophobicContact CZ-CD1 3.54Å; F430-I473 HydrophobicContact CZ-CG1 4.31Å; A441-I473 HydrophobicContact CB-CG2 3.65Å; V443-I473 HydrophobicContact CG2-CG2 4.41Å; L471-I473 HydrophobicContact CG-CG1 4.36Å; I473-V475 HydrophobicContact CG2-CG2 3.92Å; I473-V475 PolarHBondContact O-N 2.83Å; I473-L493 HydrophobicContact CD1-CD1 4.1Å; I473-P497 HydrophobicContact CD1-CG 4.22Å; I473-W507 HydrophobicContact CD1-CH2 3.51Å; I473-W507 HydrophobicContact CD1-CZ3 3.84Å
474	L	98.8	Very high	96.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	114.1	172.8	-179.4	73.2	0	0	0	108.3	L383 F413 M414 L415 A441 Y442 M444 L512 P538 L607	L383-L474 HydrophobicContact CD1-CD1 4.29Å; L383-L474 HydrophobicContact CD1-CD2 3.93Å; L383-L474 HydrophobicContact CD2-CD1 4.2Å; F413-L474 HydrophobicContact CB-CD1 3.89Å; F413-L474 HydrophobicContact CB-CG 4.49Å; F413-L474 HydrophobicContact CD1-CD2 4.34Å; F413-L474 HydrophobicContact CD1-CG 4.39Å; M414-L474 CarbonylContact O-C 3.49Å; L415-L474 HydrophobicContact CB-CD1 4.4Å; L415-L474 HydrophobicContact CD1-CB 4.24Å; A441-L474 CarbonylContact C-O 3.41Å; A441-L474 WeakPolarHBondContact CA-O 3.42Å; Y442-L474 HydrophobicContact CD2-CB 4.33Å; Y442-L474 HydrophobicContact CD2-CD2 4.13Å; Y442-L474 HydrophobicContact CD2-CG 4.29Å; Y442-L474 VanDerWaalsContact CD2-O 3.28Å; Y442-L474 WeakPolarHBondContact CD2-O 3.37Å; Y442-L474 PolarHBondContact N-O 3.45Å; Y442-L474 PolarHBondContact O-N 3.43Å; M444-L474 HydrophobicContact CE-CB 3.98Å; L474-L512 HydrophobicContact CD1-CD1 3.46Å; L474-L512 VanDerWaalsContact CD1-CD1 3.46Å; L474-P538 HydrophobicContact CD2-CB 3.63Å; L474-P538 HydrophobicContact CD2-CG 3.47Å; L474-P538 VanDerWaalsContact CD2-CG 3.47Å; L474-L607 HydrophobicContact CD2-CD2 4.09Å
475	V	98.8	Very high	96.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	130.3	178.2	-174	0	0	0	0	110	F404 F413 M414 Y416 H438 R440 A441 I473 L493	F404-V475 HydrophobicContact CE1-CB 4.27Å; F404-V475 HydrophobicContact CE1-CG1 4.25Å; F413-V475 CarbonylContact C-O 3.6Å; F413-V475 VanDerWaalsContact CA-O 3.28Å; F413-V475 WeakPolarHBondContact CA-O 3.34Å; M414-V475 PolarHBondContact N-O 3.48Å; M414-V475 PolarHBondContact O-N 2.83Å; Y416-V475 HydrophobicContact CD2-CB 4.36Å; Y416-V475 HydrophobicContact CD2-CG2 3.65Å; Y416-V475 HydrophobicContact CE2-CB 4.06Å; Y416-V475 HydrophobicContact CE2-CG2 3.65Å; H438-V475 WeakPolarHBondContact O-CG1 3.4Å; R440-V475 CarbonylContact O-C 3.41Å; R440-V475 WeakPolarHBondContact O-CA 3.44Å; A441-V475 HydrophobicContact CB-CG2 4.1Å; I473-V475 HydrophobicContact CG2-CG2 3.92Å; I473-V475 PolarHBondContact O-N 2.83Å; V475-L493 HydrophobicContact CG2-CD2 3.85Å; V475-L493 HydrophobicContact CG2-CG 4.04Å
476	E	98.8	Very high	95.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	128.4	172.5	-179.8	-174.5	-175.2	0	0	110.6	F413 D439 R440 Y442 M478 K563 R575	F413-E476 HydrophobicContact CD1-CB 3.75Å; F413-E476 HydrophobicContact CD1-CG 4.02Å; F413-E476 HydrophobicContact CE1-CB 3.65Å; F413-E476 HydrophobicContact CE1-CG 3.53Å; F413-E476 HydrophobicContact CZ-CG 4.11Å; D439-E476 PolarHBondContact N-O 2.76Å; R440-E476 PolarHBondContact N-O 3.32Å; R440-E476 PolarHBondContact O-N 3.36Å; Y442-E476 HydrophobicContact CE2-CB 4.12Å; Y442-E476 PolarHBondContact OH-OE2 3.49Å; E476-M478 HydrophobicContact CG-CG 3.94Å; E476-M478 PolarHBondContact O-N 2.87Å; E476-K563 IonicContact OE1-NZ 3.63Å; E476-K563 PolarHBondContact OE1-NZ 2.98Å; E476-K563 IonicContact OE2-NZ 3.87Å; E476-K563 PolarHBondContact OE2-NZ 2.8Å; E476-R575 IonicContact OE1-CZ 2.66Å; E476-R575 IonicContact OE1-NH1 3.44Å; E476-R575 PolarHBondContact OE1-NH1 3.5Å
477	N	98.6	Very high	95	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	16%	0.16	C	C	.	.			trans	-77.1	112.8	159.3	170.6	7.5	0	0	0	108.1	E129 F404 D410 G412 G479 R480 K491 R575	E129-N477 PolarHBondContact OE1-ND2 3.48Å; F404-N477 HydrophobicContact CD2-CB 4.16Å; F404-N477 HydrophobicContact CE2-CB 3.64Å; F404-N477 HydrophobicContact CZ-CB 4.28Å; D410-N477 PolarHBondContact O-ND2 3.05Å; G412-N477 PolarHBondContact O-N 3.41Å; N477-G479 VanDerWaalsContact C-N 3.31Å; N477-G479 PolarHBondContact OD1-N 2.7Å; N477-R480 PolarHBondContact ND2-NH1 3.17Å; N477-R480 VanDerWaalsContact ND2-NH1 3.19Å; N477-K491 HydrophobicContact CB-CB 4.22Å; N477-K491 HydrophobicContact CB-CD 4.4Å; N477-K491 HydrophobicContact CB-CG 4.09Å; N477-K491 VanDerWaalsContact OD1-CE 3.24Å; N477-K491 WeakPolarHBondContact OD1-CE 3.45Å; N477-R575 VanDerWaalsContact O-CZ 3.24Å; N477-R575 PolarHBondContact O-NH1 3.18Å; N477-R575 PolarHBondContact O-NH2 3.39Å
478	M	98.5	Very high	94.9	Very high	4 Å²	4	22 Å²	22	2%	0.02	14%	0.144	C	C	.	.			trans	-89.8	9	-177.2	-68.9	-170.2	65.8	0	0	114	N314 F322 S324 D439 R440 E476 W577	N314-M478 PolarHBondContact ND2-O 2.97Å; F322-M478 HydrophobicContact CE1-CB 4Å; F322-M478 HydrophobicContact CZ-CB 4.09Å; S324-M478 PolarHBondContact OG-O 2.78Å; D439-M478 HydrophobicContact CB-CB 3.88Å; D439-M478 HydrophobicContact CB-CG 3.88Å; D439-M478 HydrophobicContact CB-SD 4.12Å; D439-M478 PolarHBondContact OD2-N 2.81Å; R440-M478 HydrophobicContact CB-CG 4.37Å; R440-M478 HydrophobicContact CB-SD 3.7Å; E476-M478 HydrophobicContact CG-CG 3.94Å; E476-M478 PolarHBondContact O-N 2.87Å; M478-W577 HydrophobicContact CE-CE3 4Å; M478-W577 HydrophobicContact CE-CH2 3.84Å; M478-W577 HydrophobicContact CE-CZ3 3.24Å; M478-W577 HydrophobicContact SD-CZ3 4.48Å
479	G	98.1	Very high	95	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.124	C	C	.	.			trans	113.8	125	-172.2	0	0	0	0	0	109.6	E129 N314 A316 F322 N477 K491	E129-G479 WeakPolarHBondContact OE2-CA 3.48Å; N314-G479 WeakPolarHBondContact O-CA 3.39Å; A316-G479 WeakPolarHBondContact CB-O 3.35Å; F322-G479 WeakPolarHBondContact CE2-O 3.28Å; F322-G479 WeakPolarHBondContact CZ-O 3.33Å; N477-G479 VanDerWaalsContact C-N 3.31Å; N477-G479 PolarHBondContact OD1-N 2.7Å; G479-K491 PolarHBondContact O-NZ 2.92Å
480	R	98.6	Very high	95	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.129	C	C	.	.			trans	-69.1	147.6	171.3	-79.8	-178.3	-170.9	81.9	0	110.4	E129 M130 A316 E405 D410 N477 S482 D489 K491	E129-R480 WeakPolarHBondContact OE1-CB 3.36Å; E129-R480 WeakPolarHBondContact OE1-CG 3.49Å; E129-R480 IonicContact OE1-CZ 2.78Å; E129-R480 IonicContact OE1-NH1 3.3Å; E129-R480 PolarHBondContact OE1-NH1 2.91Å; E129-R480 PolarHBondContact OE2-N 2.79Å; M130-R480 HydrophobicContact CB-CB 3.67Å; M130-R480 HydrophobicContact CB-CG 4.43Å; M130-R480 HydrophobicContact CG-CB 4.04Å; M130-R480 PolarHBondContact N-O 3.4Å; M130-R480 VanDerWaalsContact SD-CD 3.54Å; A316-R480 PolarHBondContact N-O 2.85Å; E405-R480 IonicContact OE1-CZ 2.62Å; E405-R480 IonicContact OE1-NE 3.79Å; E405-R480 PolarHBondContact OE1-NE 2.79Å; E405-R480 IonicContact OE1-NH2 3.47Å; E405-R480 PolarHBondContact OE1-NH2 2.75Å; D410-R480 VanDerWaalsContact O-CZ 3.3Å; D410-R480 PolarHBondContact O-NH1 3.23Å; D410-R480 PolarHBondContact O-NH2 3.39Å; N477-R480 PolarHBondContact ND2-NH1 3.17Å; N477-R480 VanDerWaalsContact ND2-NH1 3.19Å; R480-S482 PolarHBondContact O-N 2.61Å; R480-S482 VanDerWaalsContact O-N 3.14Å; R480-D489 WeakPolarHBondContact CA-OD2 3.47Å; R480-K491 HydrophobicContact CG-CD 4.31Å; R480-K491 HydrophobicContact CG-CG 4.01Å
481	L	97.9	Very high	95.1	Very high	18 Å²	18	18.1 Å²	18.1	9%	0.094	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.2	120.4	175.5	-68.2	178.5	0	0	0	111	M130 A316 D317 K318 F322 D489	M130-L481 WeakPolarHBondContact CA-O 3.06Å; A316-L481 HydrophobicContact CB-CD2 4.1Å; A316-L481 CarbonylContact O-C 3.59Å; A316-L481 WeakPolarHBondContact O-CA 3.38Å; D317-L481 VanDerWaalsContact C-CD2 3.44Å; K318-L481 HydrophobicContact CB-CD1 4.07Å; K318-L481 HydrophobicContact CB-CD2 4.03Å; K318-L481 HydrophobicContact CD-CD1 4.43Å; F322-L481 HydrophobicContact CD2-CD2 3.75Å; F322-L481 HydrophobicContact CD2-CG 4.44Å; F322-L481 HydrophobicContact CE2-CD2 4.06Å; L481-D489 HydrophobicContact CB-CB 4Å; L481-D489 HydrophobicContact CD1-CB 4.18Å; L481-D489 HydrophobicContact CG-CB 4.03Å; L481-D489 WeakPolarHBondContact CG-OD2 3.32Å; L481-D489 PolarHBondContact N-OD2 3.07Å
482	S	96.4	Very high	95.1	Very high	4 Å²	4	18.1 Å²	18.1	3%	0.028	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-34.6	168.1	35.2	0	0	0	0	111.2	Y123 W128 A316 D317 R480	Y123-S482 VanDerWaalsContact CE2-O 3.29Å; Y123-S482 WeakPolarHBondContact CE2-O 3.48Å; Y123-S482 PolarHBondContact OH-O 3.39Å; W128-S482 WeakPolarHBondContact O-CB 3.41Å; A316-S482 PolarHBondContact N-OG 2.91Å; A316-S482 PolarHBondContact O-N 2.75Å; A316-S482 PolarHBondContact O-OG 3.48Å; D317-S482 PolarHBondContact OD1-OG 2.81Å; D317-S482 VanDerWaalsContact OD1-OG 3.05Å; R480-S482 PolarHBondContact O-N 2.61Å; R480-S482 VanDerWaalsContact O-N 3.14Å
483	F	94.8	Very high	95.1	Very high	32 Å²	32	18.1 Å²	18.1	14%	0.14	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	161.8	-174.8	-174.2	-97.6	0	0	0	113.5	D317 K318 H654	D317-F483 WeakPolarHBondContact OD1-CB 3.46Å; D317-F483 PolarHBondContact OD1-N 2.95Å; K318-F483 PolarHBondContact N-O 2.83Å; K318-F483 VanDerWaalsContact N-O 3.07Å; F483-H654 WeakPolarHBondContact CZ-OXT 3.45Å
484	G	84.4	Confident	95	Very high	38 Å²	38	20.9 Å²	20.9	39%	0.392	13%	0.128	S	C	.	.	S	Bend	trans	86.1	14.5	169.1	0	0	0	0	0	115.5
485	S	85.1	Confident	94.9	Very high	30 Å²	30	24.2 Å²	24.2	21%	0.21	14%	0.144	C	C	.	.			trans	-147.2	139	178	-165.3	0	0	0	0	113.4	S487	S485-S487 PolarHBondContact OG-N 2.6Å; S485-S487 PolarHBondContact OG-OG 2.74Å
486	N	81.3	Confident	94.8	Very high	100 Å²	100	25.6 Å²	25.6	54%	0.535	15%	0.153	S	C	.	.	S	Bend	trans	-89.2	-2.2	170.5	-62.2	-27.8	0	0	0	113	Y190 G191	Y190-N486 WeakPolarHBondContact CD2-OD1 3.25Å; Y190-N486 HydrophobicContact CE2-CB 4.39Å; Y190-N486 WeakPolarHBondContact CE2-OD1 3.39Å; G191-N486 PolarHBondContact N-OD1 2.74Å; G191-N486 VanDerWaalsContact N-OD1 3.11Å
487	S	85.6	Confident	94.7	Very high	77 Å²	77	25.6 Å²	25.6	54%	0.538	15%	0.153	S	C	.	.	S	Bend	trans	-104.6	144	179.8	55.4	0	0	0	0	111.8	S485	S485-S487 PolarHBondContact OG-N 2.6Å; S485-S487 PolarHBondContact OG-OG 2.74Å
488	S	92.9	Very high	94.6	Very high	32 Å²	32	27 Å²	27	22%	0.224	16%	0.16	C	C	.	.			trans	-61.6	133.6	174	-67.4	0	0	0	0	112.2	L138 F490	L138-S488 WeakPolarHBondContact CD2-OG 3.48Å; S488-F490 PolarHBondContact O-N 2.85Å
489	D	96.8	Very high	94.5	Very high	8 Å²	8	27.3 Å²	27.3	4%	0.043	16%	0.162	C	C	.	.			trans	-98.1	78.6	-177.7	-169.1	39.4	0	0	0	111.8	H438 R455 R480 L481 K491	H438-D489 IonicContact CE1-OD1 3.96Å; H438-D489 IonicContact ND1-OD1 3.5Å; H438-D489 PolarHBondContact ND1-OD1 3.02Å; R455-D489 IonicContact CZ-OD1 3.33Å; R455-D489 VanDerWaalsContact CZ-OD1 3.25Å; R455-D489 IonicContact NH1-OD1 3.95Å; R455-D489 PolarHBondContact NH1-OD1 3.06Å; R455-D489 IonicContact NH1-OD2 2.76Å; R455-D489 PolarHBondContact NH1-OD2 3.07Å; R455-D489 IonicContact NH2-OD1 2.7Å; R455-D489 PolarHBondContact NH2-OD1 2.7Å; R480-D489 WeakPolarHBondContact CA-OD2 3.47Å; L481-D489 HydrophobicContact CB-CB 4Å; L481-D489 HydrophobicContact CD1-CB 4.18Å; L481-D489 HydrophobicContact CG-CB 4.03Å; L481-D489 WeakPolarHBondContact CG-OD2 3.32Å; L481-D489 PolarHBondContact N-OD2 3.07Å; D489-K491 IonicContact OD1-NZ 3.26Å; D489-K491 WeakPolarHBondContact OD2-CE 3.32Å; D489-K491 IonicContact OD2-NZ 3.8Å; D489-K491 PolarHBondContact OD2-NZ 2.86Å
490	F	97.8	Very high	94.4	Very high	36 Å²	36	28.3 Å²	28.3	16%	0.158	17%	0.172	C	C	.	.			trans	-63.2	151	171.2	-65.3	-89.6	0	0	0	111.4	L138 P141 T403 H438 S488 L494	L138-F490 HydrophobicContact CB-CD1 4.17Å; L138-F490 HydrophobicContact CB-CE1 3.67Å; L138-F490 HydrophobicContact CB-CZ 4.11Å; L138-F490 HydrophobicContact CD1-CD1 4.41Å; L138-F490 HydrophobicContact CD2-CZ 4.49Å; L138-F490 VanDerWaalsContact O-CE1 3.25Å; L138-F490 WeakPolarHBondContact O-CE1 3.44Å; P141-F490 HydrophobicContact CB-CZ 4.36Å; T403-F490 HydrophobicContact CG2-CB 4.17Å; T403-F490 HydrophobicContact CG2-CD1 4.33Å; H438-F490 WeakPolarHBondContact CB-O 3Å; H438-F490 PolarHBondContact ND1-O 2.69Å; S488-F490 PolarHBondContact O-N 2.85Å; F490-L494 HydrophobicContact CB-CD1 4.37Å; F490-L494 HydrophobicContact CB-CD2 3.65Å
491	K	98.4	Very high	94	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.216	C	C	.	.			trans	-117.7	157.4	-179.6	-58.5	-63.7	-174.9	179.2	0	112.2	T403 F404 E405 H438 D439 N477 G479 R480 D489	T403-K491 CarbonylContact C-O 3.57Å; T403-K491 WeakPolarHBondContact CA-O 3.48Å; T403-K491 WeakPolarHBondContact CB-O 3.37Å; F404-K491 HydrophobicContact CB-CB 3.92Å; F404-K491 HydrophobicContact CD1-CB 4.1Å; F404-K491 WeakPolarHBondContact CD1-O 3.43Å; F404-K491 HydrophobicContact CD2-CB 4.05Å; F404-K491 HydrophobicContact CG-CB 3.78Å; F404-K491 PolarHBondContact N-O 2.98Å; E405-K491 PolarHBondContact OE1-N 3.46Å; E405-K491 PolarHBondContact OE2-N 3.45Å; H438-K491 HydrophobicContact CB-CD 4.26Å; D439-K491 IonicContact OD1-NZ 3.04Å; D439-K491 PolarHBondContact OD1-NZ 3.14Å; D439-K491 IonicContact OD2-NZ 3.09Å; D439-K491 PolarHBondContact OD2-NZ 3.12Å; N477-K491 HydrophobicContact CB-CB 4.22Å; N477-K491 HydrophobicContact CB-CD 4.4Å; N477-K491 HydrophobicContact CB-CG 4.09Å; N477-K491 VanDerWaalsContact OD1-CE 3.24Å; N477-K491 WeakPolarHBondContact OD1-CE 3.45Å; G479-K491 PolarHBondContact O-NZ 2.92Å; R480-K491 HydrophobicContact CG-CD 4.31Å; R480-K491 HydrophobicContact CG-CG 4.01Å; D489-K491 IonicContact OD1-NZ 3.26Å; D489-K491 WeakPolarHBondContact OD2-CE 3.32Å; D489-K491 IonicContact OD2-NZ 3.8Å; D489-K491 PolarHBondContact OD2-NZ 2.86Å
492	G	98.3	Very high	93.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	105.6	-149.5	-177.5	0	0	0	0	0	113.5	F404 Y416 H438	F404-G492 VanDerWaalsContact CD1-CA 3.44Å; Y416-G492 VanDerWaalsContact OH-CA 3.24Å; Y416-G492 WeakPolarHBondContact OH-CA 3.44Å; H438-G492 PolarHBondContact N-O 3.08Å; H438-G492 PolarHBondContact O-N 2.98Å
493	L	98.3	Very high	93.9	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	109.1	170	-58.1	-179.9	0	0	0	108	P401 Y416 V432 G436 V437 I473 V475 P497	P401-L493 HydrophobicContact CB-CB 3.9Å; P401-L493 HydrophobicContact CB-CD1 4.28Å; P401-L493 HydrophobicContact CG-CB 4.13Å; Y416-L493 HydrophobicContact CD1-CD1 3.75Å; Y416-L493 HydrophobicContact CD1-CG 4.22Å; Y416-L493 HydrophobicContact CD2-CD1 3.95Å; Y416-L493 HydrophobicContact CD2-CG 3.99Å; Y416-L493 HydrophobicContact CE1-CB 4.11Å; Y416-L493 HydrophobicContact CE1-CD1 4.13Å; Y416-L493 HydrophobicContact CE1-CG 4.12Å; Y416-L493 HydrophobicContact CE2-CB 4.47Å; Y416-L493 HydrophobicContact CE2-CD1 4.3Å; Y416-L493 HydrophobicContact CE2-CG 3.87Å; Y416-L493 HydrophobicContact CG-CD1 3.63Å; Y416-L493 HydrophobicContact CG-CG 4.13Å; Y416-L493 PolarHBondContact OH-N 2.83Å; V432-L493 HydrophobicContact CG2-CD2 4.2Å; G436-L493 WeakPolarHBondContact O-CA 3.35Å; V437-L493 HydrophobicContact CG2-CD2 4.25Å; I473-L493 HydrophobicContact CD1-CD1 4.1Å; V475-L493 HydrophobicContact CG2-CD2 3.85Å; V475-L493 HydrophobicContact CG2-CG 4.04Å; L493-P497 HydrophobicContact CD1-CG 3.82Å
494	L	96.9	Very high	94	Very high	59 Å²	59	42.5 Å²	42.5	31%	0.309	24%	0.244	S	C	.	.	S	Bend	trans	-83.9	-19	-178.2	-55.1	-164	0	0	0	112.8	T403 G436 H438 F490	T403-L494 HydrophobicContact CG2-CD2 3.62Å; G436-L494 PolarHBondContact O-N 3.04Å; H438-L494 HydrophobicContact CB-CD1 4.45Å; H438-L494 HydrophobicContact CB-CG 4.29Å; H438-L494 WeakPolarHBondContact CE1-CD1 3.48Å; H438-L494 WeakPolarHBondContact ND1-CD1 3.08Å; F490-L494 HydrophobicContact CB-CD1 4.37Å; F490-L494 HydrophobicContact CB-CD2 3.65Å
495	E	96.7	Very high	94.6	Very high	69 Å²	69	43.2 Å²	43.2	32%	0.322	24%	0.241	S	C	.	.	S	Bend	trans	-132.2	155.4	179.5	-65.8	-72.3	-171.2	0	0	109.1	V432 P433 N434 P497	V432-E495 HydrophobicContact CG1-CB 3.82Å; V432-E495 WeakPolarHBondContact CG1-O 3.37Å; P433-E495 HydrophobicContact CB-CB 4.46Å; N434-E495 HydrophobicContact CB-CG 4.25Å; N434-E495 PolarHBondContact ND2-OE1 2.87Å; N434-E495 VanDerWaalsContact ND2-OE1 3.09Å; E495-P497 WeakPolarHBondContact O-CD 2.94Å
496	P	96.3	Very high	95.2	Very high	29 Å²	29	47.7 Å²	47.7	19%	0.188	26%	0.258	C	S	.	.			trans	-69.8	128.9	177.7	29.1	-33.8	0	0	0	111.1	L400 P433 I503	L400-P496 HydrophobicContact CD2-CB 4.06Å; P433-P496 WeakPolarHBondContact CD-O 3.38Å; P496-I503 HydrophobicContact CB-CG2 3.78Å; P496-I503 HydrophobicContact CG-CG2 4.06Å
497	P	97.4	Very high	96.1	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.233	C	C	.	.			trans	-61.3	144	175.7	-24.5	33.5	0	0	0	113	F430 W431 V432 I473 L493 E495 L504 W507	F430-P497 HydrophobicContact CE2-CB 3.56Å; F430-P497 HydrophobicContact CZ-CB 3.78Å; F430-P497 HydrophobicContact CZ-CG 4.45Å; W431-P497 WeakPolarHBondContact O-CA 3.39Å; V432-P497 HydrophobicContact CG2-CB 4.16Å; V432-P497 HydrophobicContact CG2-CG 4.04Å; I473-P497 HydrophobicContact CD1-CG 4.22Å; L493-P497 HydrophobicContact CD1-CG 3.82Å; E495-P497 WeakPolarHBondContact O-CD 2.94Å; P497-L504 HydrophobicContact CB-CD1 4.41Å; P497-L504 WeakPolarHBondContact O-CB 3.23Å; P497-L504 PolarHBondContact O-N 2.7Å; P497-W507 HydrophobicContact CB-CH2 4.44Å; P497-W507 HydrophobicContact CB-CZ2 4.11Å; P497-W507 HydrophobicContact CG-CH2 3.84Å; P497-W507 HydrophobicContact CG-CZ2 3.56Å
498	I	97.3	Very high	96.7	Very high	30 Å²	30	40.4 Å²	40.4	15%	0.154	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	136.5	178.2	-57.6	-178.2	0	0	0	109.2	F430 W431 P433 T502 I503	F430-I498 WeakPolarHBondContact CA-O 3.4Å; W431-I498 HydrophobicContact CD2-CB 4.16Å; W431-I498 HydrophobicContact CE3-CB 4.39Å; W431-I498 HydrophobicContact CE3-CG2 4.4Å; W431-I498 HydrophobicContact CH2-CB 4.29Å; W431-I498 HydrophobicContact CH2-CG2 3.61Å; W431-I498 HydrophobicContact CZ2-CB 4Å; W431-I498 HydrophobicContact CZ2-CD1 4.15Å; W431-I498 HydrophobicContact CZ2-CG2 3.66Å; W431-I498 HydrophobicContact CZ3-CB 4.43Å; W431-I498 HydrophobicContact CZ3-CG2 3.95Å; W431-I498 PolarHBondContact N-O 2.7Å; W431-I498 PolarHBondContact O-N 2.82Å; P433-I498 HydrophobicContact CG-CD1 3.5Å; P433-I498 HydrophobicContact CG-CG1 3.98Å; I498-T502 WeakPolarHBondContact CA-O 3.47Å; I498-I503 HydrophobicContact CG1-CG1 4.34Å
499	L	96.5	Very high	96.9	Very high	10 Å²	10	38.9 Å²	38.9	5%	0.052	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	108.3	172	-177.4	57.5	0	0	0	109	M420 I424 T428 P429 F430 L463 Q501 T502 L504	M420-L499 HydrophobicContact CE-CD2 4.4Å; I424-L499 HydrophobicContact CD1-CD1 3.94Å; I424-L499 HydrophobicContact CD1-CD2 3.31Å; I424-L499 HydrophobicContact CD1-CG 3.55Å; T428-L499 HydrophobicContact CG2-CD1 4.03Å; T428-L499 HydrophobicContact CG2-CG 4.43Å; P429-L499 WeakPolarHBondContact O-CA 3.36Å; F430-L499 HydrophobicContact CB-CD1 3.98Å; F430-L499 HydrophobicContact CD2-CB 4.42Å; F430-L499 HydrophobicContact CD2-CD1 4.41Å; L463-L499 HydrophobicContact CB-CD1 4.13Å; L463-L499 HydrophobicContact CD1-CD1 4.38Å; L499-Q501 PolarHBondContact O-N 2.94Å; L499-Q501 VanDerWaalsContact O-N 3.08Å; L499-T502 PolarHBondContact N-O 3.01Å; L499-T502 PolarHBondContact O-N 3.07Å; L499-L504 HydrophobicContact CB-CD1 4.23Å; L499-L504 HydrophobicContact CB-CD2 4.13Å; L499-L504 HydrophobicContact CB-CG 4.23Å; L499-L504 HydrophobicContact CD2-CD2 4.43Å
500	G	93.9	Very high	97	Very high	21 Å²	21	39.2 Å²	39.2	22%	0.216	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	-105.4	-171.7	0	0	0	0	0	110.8	T428 P429 W431	T428-G500 VanDerWaalsContact CG2-CA 3.48Å; P429-G500 PolarHBondContact O-N 2.85Å; W431-G500 WeakPolarHBondContact CH2-O 3.13Å; W431-G500 WeakPolarHBondContact CZ3-O 3.19Å
501	Q	92.2	Very high	97	Very high	198 Å²	198	38.7 Å²	38.7	93%	0.925	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.9	5.2	174.8	-62.6	179.6	5.2	0	0	112.6	L499	L499-Q501 PolarHBondContact O-N 2.94Å; L499-Q501 VanDerWaalsContact O-N 3.08Å
502	T	94.4	Very high	97	Very high	56 Å²	56	39.2 Å²	39.2	34%	0.344	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.9	-173.8	-54.8	0	0	0	0	110.4	I498 L499	I498-T502 WeakPolarHBondContact CA-O 3.47Å; L499-T502 PolarHBondContact N-O 3.01Å; L499-T502 PolarHBondContact O-N 3.07Å
503	I	96.8	Very high	96.8	Very high	94 Å²	94	44.2 Å²	44.2	48%	0.482	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	125.3	168.8	-61	175.8	0	0	0	108.3	P496 I498 T505	P496-I503 HydrophobicContact CB-CG2 3.78Å; P496-I503 HydrophobicContact CG-CG2 4.06Å; I498-I503 HydrophobicContact CG1-CG1 4.34Å; I503-T505 HydrophobicContact CG2-CG2 4.49Å
504	L	96.9	Very high	96.7	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.026	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-81.3	131	178.4	-61.8	-177.3	0	0	0	110.8	T418 F430 L471 P497 L499 W507	T418-L504 HydrophobicContact CG2-CB 4.37Å; T418-L504 HydrophobicContact CG2-CD1 4.24Å; F430-L504 HydrophobicContact CD2-CD1 4.36Å; F430-L504 HydrophobicContact CE2-CD1 3.88Å; L471-L504 HydrophobicContact CD2-CD1 3.42Å; L471-L504 VanDerWaalsContact CD2-CD1 3.42Å; P497-L504 HydrophobicContact CB-CD1 4.41Å; P497-L504 WeakPolarHBondContact O-CB 3.23Å; P497-L504 PolarHBondContact O-N 2.7Å; L499-L504 HydrophobicContact CB-CD1 4.23Å; L499-L504 HydrophobicContact CB-CD2 4.13Å; L499-L504 HydrophobicContact CB-CG 4.23Å; L499-L504 HydrophobicContact CD2-CD2 4.43Å; L504-W507 HydrophobicContact CB-CZ2 3.79Å; L504-W507 HydrophobicContact CD1-CZ2 4.45Å; L504-W507 PolarHBondContact O-NE1 3.24Å
505	T	97.5	Very high	96.5	Very high	53 Å²	53	43.6 Å²	43.6	33%	0.325	23%	0.225	S	C	.	.			trans	-126.2	-176	-177	61.7	0	0	0	0	111.1	I399 T418 I503	I399-T505 HydrophobicContact CG2-CG2 4.33Å; I399-T505 CarbonylContact O-C 3.52Å; I399-T505 WeakPolarHBondContact O-CA 3.36Å; I399-T505 WeakPolarHBondContact O-CB 3.21Å; T418-T505 PolarHBondContact OG1-O 3.33Å; I503-T505 HydrophobicContact CG2-CG2 4.49Å
506	Q	97.8	Very high	96.3	Very high	124 Å²	124	44.4 Å²	44.4	58%	0.579	23%	0.231	S	C	*	.			trans	60.4	60.4	176.2	-55.3	-59.9	-28.4	0	0	113	S398 I399 T418	S398-Q506 CarbonylContact O-C 3.55Å; I399-Q506 PolarHBondContact O-N 3.15Å; T418-Q506 PolarHBondContact OG1-O 3.33Å
507	W	98.5	Very high	95.9	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	137.7	-176.2	-69.6	92.9	0	0	0	112.9	R397 S398 P401 R417 T418 I473 P497 L504	R397-W507 WeakPolarHBondContact CA-O 3.24Å; S398-W507 PolarHBondContact N-O 2.92Å; S398-W507 PolarHBondContact O-N 3.36Å; P401-W507 HydrophobicContact CB-CG 4.43Å; R417-W507 WeakPolarHBondContact O-CA 2.98Å; T418-W507 HydrophobicContact CG2-CD2 4.37Å; T418-W507 HydrophobicContact CG2-CE3 4.09Å; T418-W507 HydrophobicContact CG2-CH2 3.43Å; T418-W507 VanDerWaalsContact CG2-CH2 3.43Å; T418-W507 HydrophobicContact CG2-CZ2 3.73Å; T418-W507 HydrophobicContact CG2-CZ3 3.63Å; I473-W507 HydrophobicContact CD1-CH2 3.51Å; I473-W507 HydrophobicContact CD1-CZ3 3.84Å; P497-W507 HydrophobicContact CB-CH2 4.44Å; P497-W507 HydrophobicContact CB-CZ2 4.11Å; P497-W507 HydrophobicContact CG-CH2 3.84Å; P497-W507 HydrophobicContact CG-CZ2 3.56Å; L504-W507 HydrophobicContact CB-CZ2 3.79Å; L504-W507 HydrophobicContact CD1-CZ2 4.45Å; L504-W507 PolarHBondContact O-NE1 3.24Å
508	M	98.6	Very high	95.6	Very high	23 Å²	23	44 Å²	44	11%	0.113	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.4	163.4	-68.9	179.9	-70.2	0	0	108.8	P395 I396 R397 R417 Y419 F510	P395-M508 HydrophobicContact CB-CB 3.93Å; P395-M508 HydrophobicContact CB-CG 4.45Å; P395-M508 HydrophobicContact CG-CB 4.42Å; P395-M508 HydrophobicContact CG-CG 4.47Å; P395-M508 HydrophobicContact CG-SD 4.39Å; I396-M508 CarbonylContact O-C 3.45Å; I396-M508 WeakPolarHBondContact O-CA 3.21Å; R397-M508 HydrophobicContact CG-CG 4.15Å; R417-M508 HydrophobicContact CB-CB 4.26Å; R417-M508 HydrophobicContact CB-CE 4.24Å; R417-M508 HydrophobicContact CG-CE 3.69Å; R417-M508 PolarHBondContact N-O 2.76Å; R417-M508 PolarHBondContact O-N 3.43Å; Y419-M508 HydrophobicContact CD2-CE 4.49Å; Y419-M508 HydrophobicContact CE2-CE 3.5Å; Y419-M508 VanDerWaalsContact CE2-CE 3.5Å; M508-F510 HydrophobicContact CB-CE2 3.74Å; M508-F510 HydrophobicContact CB-CZ 4.26Å
509	M	98.6	Very high	95	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.5	-179.3	-65.8	154.6	-70.1	0	0	109.5	P395 I396 M402 V407 L415 Y416 P511	P395-M509 CarbonylContact C-O 3.16Å; P395-M509 VanDerWaalsContact CA-O 3.27Å; P395-M509 WeakPolarHBondContact CA-O 3.43Å; I396-M509 HydrophobicContact CB-CE 4.35Å; I396-M509 HydrophobicContact CG2-CE 4.11Å; I396-M509 PolarHBondContact N-O 3.18Å; I396-M509 WeakPolarHBondContact O-CE 3.43Å; I396-M509 PolarHBondContact O-N 3.16Å; M402-M509 HydrophobicContact CB-CE 4.29Å; M402-M509 HydrophobicContact CB-SD 3.61Å; M402-M509 HydrophobicContact CG-CE 4.02Å; M402-M509 HydrophobicContact CG-SD 3.96Å; M402-M509 PolarHBondContact N-SD 3.22Å; M402-M509 HydrophobicContact SD-CE 4.02Å; V407-M509 HydrophobicContact CG1-SD 4.27Å; L415-M509 CarbonylContact O-C 3.55Å; L415-M509 WeakPolarHBondContact O-CA 3.46Å; Y416-M509 HydrophobicContact CD1-CG 3.53Å; Y416-M509 HydrophobicContact CD1-SD 4.28Å; Y416-M509 HydrophobicContact CE1-CG 3.74Å; Y416-M509 HydrophobicContact CE1-SD 4.02Å; Y416-M509 HydrophobicContact CG-CG 4.37Å; M509-P511 WeakPolarHBondContact O-CD 3.3Å
510	F	98.4	Very high	94.1	Very high	15 Å²	15	55.2 Å²	55.2	7%	0.066	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	102.1	180	-55.8	-106.8	0	0	0	109.1	C391 P395 L415 R417 M508 L512	C391-F510 HydrophobicContact CB-CB 4.09Å; C391-F510 HydrophobicContact CB-CD1 4.12Å; P395-F510 HydrophobicContact CB-CD1 3.77Å; P395-F510 HydrophobicContact CB-CD2 4.05Å; P395-F510 HydrophobicContact CB-CE1 3.52Å; P395-F510 HydrophobicContact CB-CE2 3.79Å; P395-F510 HydrophobicContact CB-CG 4.04Å; P395-F510 HydrophobicContact CB-CZ 3.52Å; P395-F510 HydrophobicContact CG-CD1 4.29Å; P395-F510 HydrophobicContact CG-CE1 3.61Å; P395-F510 HydrophobicContact CG-CE2 4.38Å; P395-F510 HydrophobicContact CG-CZ 3.65Å; L415-F510 HydrophobicContact CB-CB 4.17Å; L415-F510 HydrophobicContact CB-CD2 4.35Å; L415-F510 HydrophobicContact CD2-CD2 4.09Å; L415-F510 HydrophobicContact CG-CD2 4.33Å; L415-F510 PolarHBondContact N-O 3.24Å; L415-F510 VanDerWaalsContact N-O 3.11Å; L415-F510 PolarHBondContact O-N 3.12Å; R417-F510 HydrophobicContact CB-CE2 3.99Å; M508-F510 HydrophobicContact CB-CE2 3.74Å; M508-F510 HydrophobicContact CB-CZ 4.26Å; F510-L512 HydrophobicContact CB-CD2 3.95Å; F510-L512 WeakPolarHBondContact O-CD2 3.43Å; F510-L512 WeakPolarHBondContact O-CG 3.37Å; F510-L512 PolarHBondContact O-N 3.17Å
511	P	97.8	Very high	93.2	Very high	24 Å²	24	54.6 Å²	54.6	16%	0.156	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	126.3	166.5	-24.5	35.3	0	0	0	110.6	C391 V407 Q409 M509	C391-P511 PolarHBondContact SG-O 3.13Å; V407-P511 HydrophobicContact CB-CG 4.44Å; V407-P511 HydrophobicContact CG2-CG 4.16Å; Q409-P511 HydrophobicContact CB-CB 4.31Å; Q409-P511 VanDerWaalsContact OE1-C 3.31Å; Q409-P511 VanDerWaalsContact OE1-CB 3.25Å; M509-P511 WeakPolarHBondContact O-CD 3.3Å
512	L	97.4	Very high	91.5	Very high	11 Å²	11	49.1 Å²	49.1	6%	0.058	24%	0.235	C	C	.	.			trans	-105.3	113.2	-170.8	-51.7	-178.7	0	0	0	112.2	L383 L387 L390 F413 L415 L474 F510 I514	L383-L512 HydrophobicContact CD1-CD1 4.28Å; L383-L512 HydrophobicContact CD2-CD1 3.99Å; L387-L512 HydrophobicContact CD2-CD2 3.87Å; L390-L512 HydrophobicContact CB-CB 4.44Å; L390-L512 HydrophobicContact CB-CD2 3.94Å; L390-L512 HydrophobicContact CD1-CD2 4.39Å; F413-L512 HydrophobicContact CB-CD1 4.09Å; F413-L512 VanDerWaalsContact O-CB 3.3Å; F413-L512 WeakPolarHBondContact O-CB 3.45Å; F413-L512 WeakPolarHBondContact O-CG 3.31Å; F413-L512 PolarHBondContact O-N 3.45Å; L415-L512 HydrophobicContact CB-CD1 4.42Å; L415-L512 HydrophobicContact CB-CD2 4.47Å; L474-L512 HydrophobicContact CD1-CD1 3.46Å; L474-L512 VanDerWaalsContact CD1-CD1 3.46Å; F510-L512 HydrophobicContact CB-CD2 3.95Å; F510-L512 WeakPolarHBondContact O-CD2 3.43Å; F510-L512 WeakPolarHBondContact O-CG 3.37Å; F510-L512 PolarHBondContact O-N 3.17Å; L512-I514 VanDerWaalsContact C-N 3.26Å; L512-I514 HydrophobicContact CB-CD1 4.42Å; L512-I514 HydrophobicContact CB-CG1 3.97Å; L512-I514 PolarHBondContact O-N 3.5Å
513	K	95	Very high	89.7	Confident	106 Å²	106	52.4 Å²	52.4	46%	0.461	25%	0.249	S	C	.	.			trans	-86	57	177.5	-60.8	-177.4	-178.8	175.3	0	112.1	L390 D515 N516 L517	L390-K513 PolarHBondContact O-N 3.26Å; K513-D515 PolarHBondContact O-N 2.88Å; K513-N516 HydrophobicContact CB-CB 4.23Å; K513-N516 PolarHBondContact O-N 3.21Å; K513-L517 PolarHBondContact O-N 3.27Å; K513-L517 VanDerWaalsContact O-N 3.11Å
514	I	95.5	Very high	87.7	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.015	25%	0.254	C	S	.	.	H	α-helix	trans	-59.5	-47.2	-173.3	-56.2	-176.2	0	0	0	112.2	L383 L390 F413 L512 N516 L517 V518 F540 W567 L605	L383-I514 HydrophobicContact CD1-CD1 4.29Å; L390-I514 HydrophobicContact CD2-CB 4.24Å; L390-I514 HydrophobicContact CD2-CG1 3.74Å; F413-I514 HydrophobicContact CB-CD1 4.17Å; F413-I514 HydrophobicContact CD2-CD1 3.48Å; F413-I514 VanDerWaalsContact CD2-CD1 3.48Å; F413-I514 HydrophobicContact CE2-CD1 4.16Å; F413-I514 HydrophobicContact CG-CD1 4.07Å; L512-I514 VanDerWaalsContact C-N 3.26Å; L512-I514 HydrophobicContact CB-CD1 4.42Å; L512-I514 HydrophobicContact CB-CG1 3.97Å; L512-I514 PolarHBondContact O-N 3.5Å; I514-N516 PolarHBondContact O-N 3.14Å; I514-L517 PolarHBondContact O-N 3.25Å; I514-L517 VanDerWaalsContact O-N 3.09Å; I514-V518 HydrophobicContact CG2-CG2 4.03Å; I514-V518 WeakPolarHBondContact O-CG2 3.43Å; I514-V518 PolarHBondContact O-N 3.45Å; I514-F540 HydrophobicContact CG2-CE1 3.95Å; I514-F540 HydrophobicContact CG2-CZ 3.89Å; I514-W567 HydrophobicContact CB-CZ2 4.48Å; I514-W567 HydrophobicContact CG2-CH2 3.53Å; I514-W567 HydrophobicContact CG2-CZ2 3.61Å; I514-W567 HydrophobicContact CG2-CZ3 4.46Å; I514-L605 HydrophobicContact CD1-CD2 3.69Å
515	D	94	Very high	85.5	Confident	44 Å²	44	62.4 Å²	62.4	24%	0.235	30%	0.297	C	S	.	.	H	α-helix	trans	-57.7	-37.7	179.5	-77	-19.7	0	0	0	112.4	K513 K519 W567 N572	K513-D515 PolarHBondContact O-N 2.88Å; D515-K519 WeakPolarHBondContact O-CB 3.3Å; D515-K519 WeakPolarHBondContact O-CD 3.15Å; D515-K519 WeakPolarHBondContact O-CG 3.38Å; D515-K519 PolarHBondContact O-N 2.84Å; D515-K519 VanDerWaalsContact O-N 3.16Å; D515-W567 WeakPolarHBondContact OD1-CZ2 3.28Å; D515-W567 PolarHBondContact OD1-NE1 2.91Å; D515-N572 PolarHBondContact OD1-ND2 3.42Å
516	N	90.8	Very high	83.6	Confident	85 Å²	85	62.2 Å²	62.2	46%	0.455	29%	0.294	S	S	.	.	H	α-helix	trans	-66.7	-50.1	176.3	-69.5	1.4	0	0	0	109.3	K513 I514 V518 K519 W520	K513-N516 HydrophobicContact CB-CB 4.23Å; K513-N516 PolarHBondContact O-N 3.21Å; I514-N516 PolarHBondContact O-N 3.14Å; N516-V518 PolarHBondContact O-N 3.43Å; N516-K519 PolarHBondContact O-N 3.32Å; N516-W520 PolarHBondContact O-N 3.03Å; N516-W520 VanDerWaalsContact O-N 3.07Å
517	L	89.1	Confident	81.5	Confident	18 Å²	18	60.7 Å²	60.7	9%	0.094	30%	0.295	C	S	.	.	H	α-helix	trans	-57.8	-47	-178.9	-174.8	58.2	0	0	0	112.4	F386 L389 L390 K513 I514 K519 W520 W521	F386-L517 HydrophobicContact CB-CD2 4.09Å; L389-L517 HydrophobicContact CB-CD1 3.75Å; L389-L517 HydrophobicContact CB-CD2 4.1Å; L389-L517 HydrophobicContact CD1-CD1 4.07Å; L390-L517 HydrophobicContact CD2-CB 4.01Å; L390-L517 HydrophobicContact CD2-CD2 3.39Å; L390-L517 HydrophobicContact CD2-CG 4.35Å; L390-L517 HydrophobicContact CG-CD2 3.67Å; K513-L517 PolarHBondContact O-N 3.27Å; K513-L517 VanDerWaalsContact O-N 3.11Å; I514-L517 PolarHBondContact O-N 3.25Å; I514-L517 VanDerWaalsContact O-N 3.09Å; L517-K519 VanDerWaalsContact C-N 3.34Å; L517-K519 PolarHBondContact O-N 2.84Å; L517-W520 PolarHBondContact O-N 3.11Å; L517-W520 VanDerWaalsContact O-N 3.14Å; L517-W521 HydrophobicContact CD1-CD2 4.39Å; L517-W521 HydrophobicContact CD1-CZ2 4.07Å; L517-W521 HydrophobicContact CD2-CH2 3.77Å; L517-W521 HydrophobicContact CD2-CZ2 3.27Å; L517-W521 HydrophobicContact CG-CD2 3.93Å; L517-W521 HydrophobicContact CG-CE3 4.49Å; L517-W521 HydrophobicContact CG-CG 4.47Å; L517-W521 HydrophobicContact CG-CH2 4.09Å; L517-W521 HydrophobicContact CG-CZ2 3.49Å; L517-W521 VanDerWaalsContact CG-CZ2 3.49Å; L517-W521 VanDerWaalsContact O-CG 3.27Å; L517-W521 PolarHBondContact O-N 2.86Å
518	V	89.6	Confident	79.3	Confident	2 Å²	2	70.8 Å²	70.8	1%	0.012	34%	0.339	C	S	.	.	H	α-helix	trans	-64.6	-36.9	-179.5	178	0	0	0	0	112	I514 N516 W521 F522 F540 W567 T603	I514-V518 HydrophobicContact CG2-CG2 4.03Å; I514-V518 WeakPolarHBondContact O-CG2 3.43Å; I514-V518 PolarHBondContact O-N 3.45Å; N516-V518 PolarHBondContact O-N 3.43Å; V518-W521 HydrophobicContact CB-CE3 4.46Å; V518-W521 HydrophobicContact CG2-CE3 3.98Å; V518-W521 HydrophobicContact CG2-CZ3 4.04Å; V518-W521 PolarHBondContact O-N 3.04Å; V518-F522 PolarHBondContact O-N 3.02Å; V518-F540 HydrophobicContact CG2-CE1 4.32Å; V518-W567 HydrophobicContact CB-CD2 4.32Å; V518-W567 HydrophobicContact CB-CG 4.25Å; V518-W567 HydrophobicContact CG1-CB 3.65Å; V518-W567 HydrophobicContact CG1-CD2 3.96Å; V518-W567 HydrophobicContact CG1-CE3 4.44Å; V518-W567 HydrophobicContact CG1-CG 3.58Å; V518-W567 HydrophobicContact CG2-CD2 4.13Å; V518-W567 HydrophobicContact CG2-CE3 4.26Å; V518-T603 HydrophobicContact CG1-CG2 4Å; V518-T603 HydrophobicContact CG2-CG2 4.18Å
519	K	85.3	Confident	77.2	Confident	111 Å²	111	77.8 Å²	77.8	48%	0.483	36%	0.364	S	S	.	.	H	α-helix	trans	-62.4	-41.3	173	-76.2	172.5	-176.2	177.3	0	112.1	D515 N516 L517 F522 G570	D515-K519 WeakPolarHBondContact O-CB 3.3Å; D515-K519 WeakPolarHBondContact O-CD 3.15Å; D515-K519 WeakPolarHBondContact O-CG 3.38Å; D515-K519 PolarHBondContact O-N 2.84Å; D515-K519 VanDerWaalsContact O-N 3.16Å; N516-K519 PolarHBondContact O-N 3.32Å; L517-K519 VanDerWaalsContact C-N 3.34Å; L517-K519 PolarHBondContact O-N 2.84Å; K519-F522 WeakPolarHBondContact O-CB 3.41Å; K519-F522 PolarHBondContact O-N 3.41Å; K519-G570 WeakPolarHBondContact CE-O 3.44Å; K519-G570 VanDerWaalsContact CG-O 3.31Å; K519-G570 WeakPolarHBondContact CG-O 3.35Å
520	W	77.5	Confident	74.8	Confident	165 Å²	165	83.3 Å²	83.3	63%	0.625	40%	0.4	S	S	*	.	H	α-helix	trans	-75	-30.9	179.4	-73.8	62.1	0	0	0	112.7	N516 L517 F522 L523 L524	N516-W520 PolarHBondContact O-N 3.03Å; N516-W520 VanDerWaalsContact O-N 3.07Å; L517-W520 PolarHBondContact O-N 3.11Å; L517-W520 VanDerWaalsContact O-N 3.14Å; W520-F522 PolarHBondContact O-N 2.85Å; W520-L523 WeakPolarHBondContact O-CA 3.37Å; W520-L523 WeakPolarHBondContact O-CB 3.28Å; W520-L523 PolarHBondContact O-N 2.73Å; W520-L524 PolarHBondContact O-N 3.1Å
521	W	75.3	Confident	72.8	Confident	8 Å²	8	85.2 Å²	85.2	3%	0.03	41%	0.407	C	S	.	.	H	α-helix	trans	-63.9	-17.8	173	-73.1	-13.2	0	0	0	114.3	F386 L517 V518 L523 L526 F540 K601 T603	F386-W521 HydrophobicContact CD1-CH2 4.42Å; F386-W521 AromaticContact CD1-CZ2 3.68Å; F386-W521 HydrophobicContact CD1-CZ2 3.68Å; F386-W521 HydrophobicContact CD2-CH2 4.29Å; F386-W521 HydrophobicContact CD2-CZ2 4.34Å; F386-W521 HydrophobicContact CE1-CH2 4.5Å; F386-W521 AromaticContact CE1-CZ2 3.84Å; F386-W521 HydrophobicContact CE1-CZ2 3.84Å; F386-W521 HydrophobicContact CE2-CH2 4.38Å; F386-W521 HydrophobicContact CE2-CZ2 4.47Å; F386-W521 HydrophobicContact CG-CH2 4.32Å; F386-W521 AromaticContact CG-CZ2 3.95Å; F386-W521 HydrophobicContact CG-CZ2 3.95Å; F386-W521 HydrophobicContact CZ-CH2 4.49Å; F386-W521 HydrophobicContact CZ-CZ2 4.25Å; L517-W521 HydrophobicContact CD1-CD2 4.39Å; L517-W521 HydrophobicContact CD1-CZ2 4.07Å; L517-W521 HydrophobicContact CD2-CH2 3.77Å; L517-W521 HydrophobicContact CD2-CZ2 3.27Å; L517-W521 HydrophobicContact CG-CD2 3.93Å; L517-W521 HydrophobicContact CG-CE3 4.49Å; L517-W521 HydrophobicContact CG-CG 4.47Å; L517-W521 HydrophobicContact CG-CH2 4.09Å; L517-W521 HydrophobicContact CG-CZ2 3.49Å; L517-W521 VanDerWaalsContact CG-CZ2 3.49Å; L517-W521 VanDerWaalsContact O-CG 3.27Å; L517-W521 PolarHBondContact O-N 2.86Å; V518-W521 HydrophobicContact CB-CE3 4.46Å; V518-W521 HydrophobicContact CG2-CE3 3.98Å; V518-W521 HydrophobicContact CG2-CZ3 4.04Å; V518-W521 PolarHBondContact O-N 3.04Å; W521-L523 VanDerWaalsContact C-N 3.28Å; W521-L526 VanDerWaalsContact CD1-CD2 3.48Å; W521-L526 HydrophobicContact CD2-CD1 3.79Å; W521-L526 HydrophobicContact CG-CD1 3.82Å; W521-L526 HydrophobicContact CG-CD2 4.39Å; W521-L526 HydrophobicContact CG-CG 4.32Å; W521-L526 HydrophobicContact CZ2-CD1 4.15Å; W521-F540 HydrophobicContact CH2-CB 4.37Å; W521-F540 HydrophobicContact CH2-CD1 4.06Å; W521-F540 AromaticContact CH2-CD2 3.68Å; W521-F540 HydrophobicContact CH2-CD2 3.68Å; W521-F540 HydrophobicContact CH2-CE1 4.21Å; W521-F540 AromaticContact CH2-CE2 3.86Å; W521-F540 HydrophobicContact CH2-CE2 3.86Å; W521-F540 AromaticContact CH2-CG 3.77Å; W521-F540 HydrophobicContact CH2-CG 3.77Å; W521-F540 HydrophobicContact CH2-CZ 4.12Å; W521-F540 HydrophobicContact CZ3-CB 4.32Å; W521-F540 AromaticContact CZ3-CD1 3.69Å; W521-F540 HydrophobicContact CZ3-CD1 3.69Å; W521-F540 HydrophobicContact CZ3-CD2 4.18Å; W521-F540 AromaticContact CZ3-CE1 3.94Å; W521-F540 HydrophobicContact CZ3-CE1 3.94Å; W521-F540 HydrophobicContact CZ3-CE2 4.41Å; W521-F540 AromaticContact CZ3-CG 3.81Å; W521-F540 HydrophobicContact CZ3-CG 3.81Å; W521-F540 HydrophobicContact CZ3-CZ 4.3Å; W521-K601 PolarHBondContact O-NZ 3.32Å; W521-T603 HydrophobicContact CE3-CG2 4.31Å; W521-T603 HydrophobicContact CZ3-CG2 4.29Å
522	F	57.7	Low	70.5	Confident	83 Å²	83	89.3 Å²	89.3	36%	0.364	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-32.5	167.4	-179.1	-102.2	0	0	0	111.4	V518 K519 W520 F594 K601	V518-F522 PolarHBondContact O-N 3.02Å; K519-F522 WeakPolarHBondContact O-CB 3.41Å; K519-F522 PolarHBondContact O-N 3.41Å; W520-F522 PolarHBondContact O-N 2.85Å; F522-F594 HydrophobicContact CE1-CE2 4.46Å; F522-F594 HydrophobicContact CE1-CZ 4.45Å; F522-F594 AromaticContact CE2-CE2 3.83Å; F522-F594 HydrophobicContact CE2-CE2 3.83Å; F522-F594 AromaticContact CZ-CE2 3.5Å; F522-F594 HydrophobicContact CZ-CE2 3.5Å; F522-F594 AromaticContact CZ-CZ 3.9Å; F522-F594 HydrophobicContact CZ-CZ 3.9Å; F522-K601 HydrophobicContact CD2-CB 4.08Å; F522-K601 HydrophobicContact CD2-CD 4.35Å; F522-K601 HydrophobicContact CE2-CB 4.42Å
523	L	55.5	Low	68.4	Low	125 Å²	125	97.3 Å²	97.3	65%	0.654	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-18.1	-175.2	-58.2	172.3	0	0	0	113.7	W520 W521	W520-L523 WeakPolarHBondContact O-CA 3.37Å; W520-L523 WeakPolarHBondContact O-CB 3.28Å; W520-L523 PolarHBondContact O-N 2.73Å; W521-L523 VanDerWaalsContact C-N 3.28Å
524	L	54.1	Low	66.5	Low	112 Å²	112	94 Å²	94	59%	0.586	46%	0.463	S	S	*	.	S	Bend	trans	-130.6	140.6	-173.2	-65.6	169.5	0	0	0	112.8	W520	W520-L524 PolarHBondContact O-N 3.1Å
525	Q	52.3	Low	64.9	Low	197 Å²	197	98.6 Å²	98.6	92%	0.921	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-76.3	122	167.4	-70.5	-177.6	4.6	0	0	109.3
526	L	57.8	Low	64.4	Low	50 Å²	50	98.2 Å²	98.2	26%	0.262	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-76.8	147.5	179.5	-72.2	165.9	0	0	0	111.8	V380 W521 K528	V380-L526 HydrophobicContact CG1-CD1 3.66Å; W521-L526 VanDerWaalsContact CD1-CD2 3.48Å; W521-L526 HydrophobicContact CD2-CD1 3.79Å; W521-L526 HydrophobicContact CG-CD1 3.82Å; W521-L526 HydrophobicContact CG-CD2 4.39Å; W521-L526 HydrophobicContact CG-CG 4.32Å; W521-L526 HydrophobicContact CZ2-CD1 4.15Å; L526-K528 PolarHBondContact O-N 2.78Å
527	P	51.8	Low	64.4	Low	92 Å²	92	94.4 Å²	94.4	60%	0.597	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-59	132.8	168.7	-15.3	27.6	0	0	0	110.1	W529	P527-W529 HydrophobicContact CB-CE3 4.23Å; P527-W529 HydrophobicContact CB-CZ3 4.35Å; P527-W529 PolarHBondContact O-N 3.04Å
528	K	53.7	Low	64.7	Low	212 Å²	212	93.9 Å²	93.9	92%	0.922	47%	0.472	S	S	*	.			trans	-75.8	109.1	170	-66.8	-177	-177.8	177.7	0	108	L526	L526-K528 PolarHBondContact O-N 2.78Å
529	W	55	Low	65	Low	170 Å²	170	93.9 Å²	93.9	64%	0.644	47%	0.472	S	S	*	.			trans	-94.4	138.6	169.4	-126.5	-85.8	0	0	0	109.9	P527 Y531	P527-W529 HydrophobicContact CB-CE3 4.23Å; P527-W529 HydrophobicContact CB-CZ3 4.35Å; P527-W529 PolarHBondContact O-N 3.04Å; W529-Y531 HydrophobicContact CB-CD1 4.4Å; W529-Y531 HydrophobicContact CB-CD2 3.99Å; W529-Y531 HydrophobicContact CB-CE1 3.78Å; W529-Y531 HydrophobicContact CB-CE2 3.32Å; W529-Y531 HydrophobicContact CB-CG 4.5Å; W529-Y531 VanDerWaalsContact CB-OH 3.32Å; W529-Y531 WeakPolarHBondContact CB-OH 3.37Å; W529-Y531 HydrophobicContact CG-CE1 4.24Å; W529-Y531 AromaticContact CG-CZ 3.99Å; W529-Y531 WeakPolarHBondContact O-CD2 3.24Å; W529-Y531 PolarHBondContact O-N 3.39Å
530	P	47	Very low	65.4	Low	116 Å²	116	88.6 Å²	88.6	75%	0.753	45%	0.449	S	S	*	.			trans	-68.8	111.2	167.2	27	-30.3	0	0	0	108.4
531	Y	56.4	Low	66.3	Low	56 Å²	56	81.8 Å²	81.8	22%	0.22	42%	0.424	C	S	.	.			trans	-109.4	130.1	175.7	-63	-71.1	0	0	0	109.7	V380 A385 W529 Q533	V380-Y531 WeakPolarHBondContact O-CE2 3.47Å; A385-Y531 HydrophobicContact CB-CE1 3.66Å; W529-Y531 HydrophobicContact CB-CD1 4.4Å; W529-Y531 HydrophobicContact CB-CD2 3.99Å; W529-Y531 HydrophobicContact CB-CE1 3.78Å; W529-Y531 HydrophobicContact CB-CE2 3.32Å; W529-Y531 HydrophobicContact CB-CG 4.5Å; W529-Y531 VanDerWaalsContact CB-OH 3.32Å; W529-Y531 WeakPolarHBondContact CB-OH 3.37Å; W529-Y531 HydrophobicContact CG-CE1 4.24Å; W529-Y531 AromaticContact CG-CZ 3.99Å; W529-Y531 WeakPolarHBondContact O-CD2 3.24Å; W529-Y531 PolarHBondContact O-N 3.39Å; Y531-Q533 PolarHBondContact O-N 2.67Å
532	P	50.7	Low	67.2	Low	109 Å²	109	82.5 Å²	82.5	71%	0.708	43%	0.43	S	S	*	.			trans	-60.6	133.7	165.2	23.3	-26.8	0	0	0	108.5	H382 A534	H382-P532 PolarHBondContact NE2-O 3.46Å; P532-A534 PolarHBondContact O-N 3.22Å
533	Q	53.3	Low	69	Low	179 Å²	179	81.6 Å²	81.6	84%	0.836	43%	0.426	S	S	*	.			trans	-68.2	92.2	177.8	-70	-175.8	-5.5	0	0	109.3	Y531 P535	Y531-Q533 PolarHBondContact O-N 2.67Å; Q533-P535 WeakPolarHBondContact O-CD 3.47Å
534	A	54.9	Low	70.9	Confident	37 Å²	37	78.9 Å²	78.9	31%	0.306	41%	0.414	S	S	.	.			trans	-78.8	116.4	158.9	0	0	0	0	0	107.3	P532 S536	P532-A534 PolarHBondContact O-N 3.22Å; A534-S536 PolarHBondContact O-N 2.82Å
535	P	60.8	Low	72.8	Confident	100 Å²	100	73.9 Å²	73.9	65%	0.649	39%	0.388	S	S	*	.	S	Bend	trans	-71.6	-7	-174.2	28.1	-34.3	0	0	0	113.9	Q533	Q533-P535 WeakPolarHBondContact O-CD 3.47Å
536	S	82.9	Confident	74.9	Confident	36 Å²	36	67.2 Å²	67.2	25%	0.252	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-140.1	149.7	-172.7	-56.1	0	0	0	0	112.2	A534 E608 N609	A534-S536 PolarHBondContact O-N 2.82Å; S536-E608 CarbonylContact C-O 3.56Å; S536-E608 VanDerWaalsContact CA-O 3.28Å; S536-E608 WeakPolarHBondContact CA-O 3.47Å; S536-E608 WeakPolarHBondContact CB-O 3.32Å; S536-N609 WeakPolarHBondContact CB-OD1 3.37Å; S536-N609 PolarHBondContact OG-OD1 3.21Å
537	G	91.6	Very high	76.6	Confident	4 Å²	4	65 Å²	65	4%	0.041	35%	0.35	C	S	.	.	S	Bend	trans	104.7	175.5	175.7	0	0	0	0	0	114.9	T539 L607 E608	G537-T539 WeakPolarHBondContact O-CB 3.03Å; G537-T539 PolarHBondContact O-N 2.89Å; G537-T539 VanDerWaalsContact O-N 3.08Å; G537-T539 PolarHBondContact O-OG1 2.88Å; G537-L607 CarbonylContact C-O 3.13Å; G537-E608 PolarHBondContact N-O 2.96Å
538	P	96.3	Very high	78.4	Confident	7 Å²	7	66.6 Å²	66.6	5%	0.045	35%	0.353	C	S	.	.	S	Bend	trans	-58.2	108.1	-172.8	-26.7	36.5	0	0	0	114.4	L383 Y442 M444 L474 E606 L607	L383-P538 HydrophobicContact CB-CB 3.91Å; L383-P538 WeakPolarHBondContact CB-O 3.47Å; L383-P538 HydrophobicContact CD1-CB 4.25Å; L383-P538 PolarHBondContact N-O 2.96Å; Y442-P538 HydrophobicContact CG-CG 4.42Å; M444-P538 HydrophobicContact CE-CG 4.31Å; M444-P538 HydrophobicContact SD-CG 4.22Å; L474-P538 HydrophobicContact CD2-CB 3.63Å; L474-P538 HydrophobicContact CD2-CG 3.47Å; L474-P538 VanDerWaalsContact CD2-CG 3.47Å; P538-E606 CarbonylContact C-O 3.54Å; P538-E606 VanDerWaalsContact CA-O 3.24Å; P538-E606 WeakPolarHBondContact CA-O 3.4Å; P538-L607 HydrophobicContact CB-CD2 4.35Å
539	T	94.3	Very high	80	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.012	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	138.4	-169	-56.6	0	0	0	0	112.3	L379 H382 G537 Y541 E606	L379-T539 HydrophobicContact CD1-CG2 3.1Å; H382-T539 PolarHBondContact ND1-OG1 2.83Å; H382-T539 VanDerWaalsContact ND1-OG1 3.12Å; G537-T539 WeakPolarHBondContact O-CB 3.03Å; G537-T539 PolarHBondContact O-N 2.89Å; G537-T539 VanDerWaalsContact O-N 3.08Å; G537-T539 PolarHBondContact O-OG1 2.88Å; T539-Y541 HydrophobicContact CG2-CD2 4.15Å; T539-Y541 HydrophobicContact CG2-CE2 3.55Å; T539-E606 PolarHBondContact N-O 2.75Å; T539-E606 PolarHBondContact O-N 3.38Å
540	F	95.2	Very high	81.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	134.8	177	-70.9	-76.7	0	0	0	112.2	V380 G381 L383 F386 I514 V518 W521 T603 L604 L605	V380-F540 HydrophobicContact CB-CB 3.96Å; V380-F540 WeakPolarHBondContact CB-O 3.19Å; V380-F540 HydrophobicContact CG1-CB 4.48Å; V380-F540 PolarHBondContact N-O 3.01Å; G381-F540 PolarHBondContact N-O 3.39Å; G381-F540 PolarHBondContact O-N 3.07Å; L383-F540 HydrophobicContact CB-CE2 4.3Å; L383-F540 HydrophobicContact CD1-CE2 4.49Å; L383-F540 HydrophobicContact CG-CE2 4.34Å; F386-F540 AromaticContact CD2-CD2 3.84Å; F386-F540 HydrophobicContact CD2-CD2 3.84Å; F386-F540 HydrophobicContact CD2-CE2 4.17Å; F386-F540 HydrophobicContact CE2-CD2 4Å; I514-F540 HydrophobicContact CG2-CE1 3.95Å; I514-F540 HydrophobicContact CG2-CZ 3.89Å; V518-F540 HydrophobicContact CG2-CE1 4.32Å; W521-F540 HydrophobicContact CH2-CB 4.37Å; W521-F540 HydrophobicContact CH2-CD1 4.06Å; W521-F540 AromaticContact CH2-CD2 3.68Å; W521-F540 HydrophobicContact CH2-CD2 3.68Å; W521-F540 HydrophobicContact CH2-CE1 4.21Å; W521-F540 AromaticContact CH2-CE2 3.86Å; W521-F540 HydrophobicContact CH2-CE2 3.86Å; W521-F540 AromaticContact CH2-CG 3.77Å; W521-F540 HydrophobicContact CH2-CG 3.77Å; W521-F540 HydrophobicContact CH2-CZ 4.12Å; W521-F540 HydrophobicContact CZ3-CB 4.32Å; W521-F540 AromaticContact CZ3-CD1 3.69Å; W521-F540 HydrophobicContact CZ3-CD1 3.69Å; W521-F540 HydrophobicContact CZ3-CD2 4.18Å; W521-F540 AromaticContact CZ3-CE1 3.94Å; W521-F540 HydrophobicContact CZ3-CE1 3.94Å; W521-F540 HydrophobicContact CZ3-CE2 4.41Å; W521-F540 AromaticContact CZ3-CG 3.81Å; W521-F540 HydrophobicContact CZ3-CG 3.81Å; W521-F540 HydrophobicContact CZ3-CZ 4.3Å; F540-T603 HydrophobicContact CD1-CG2 4.28Å; F540-L604 CarbonylContact C-O 3.53Å; F540-L604 VanDerWaalsContact CA-O 3.28Å; F540-L604 WeakPolarHBondContact CA-O 3.48Å; F540-L605 HydrophobicContact CD1-CB 4.04Å; F540-L605 HydrophobicContact CD1-CD1 4.16Å; F540-L605 HydrophobicContact CD2-CD1 4.4Å; F540-L605 HydrophobicContact CE1-CB 3.82Å; F540-L605 HydrophobicContact CE1-CD1 3.98Å; F540-L605 HydrophobicContact CE1-CD2 4.33Å; F540-L605 HydrophobicContact CE1-CG 4.26Å; F540-L605 HydrophobicContact CE2-CD1 4.22Å; F540-L605 HydrophobicContact CG-CD1 4.38Å; F540-L605 HydrophobicContact CZ-CD1 4.01Å; F540-L605 HydrophobicContact CZ-CD2 4.34Å
541	Y	95.4	Very high	83.9	Confident	23 Å²	23	52 Å²	52	9%	0.09	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	145.8	173.4	-76.4	-97.6	0	0	0	110.1	L377 H378 L379 T539 W561 T603 L604 V610 P614	L377-Y541 HydrophobicContact CB-CD1 4.35Å; H378-Y541 CarbonylContact O-C 3.55Å; H378-Y541 VanDerWaalsContact O-CA 3.27Å; H378-Y541 WeakPolarHBondContact O-CA 3.24Å; L379-Y541 HydrophobicContact CB-CD1 4.47Å; L379-Y541 HydrophobicContact CB-CE1 4Å; L379-Y541 HydrophobicContact CD1-CE1 4.44Å; L379-Y541 HydrophobicContact CD1-CE2 4.23Å; T539-Y541 HydrophobicContact CG2-CD2 4.15Å; T539-Y541 HydrophobicContact CG2-CE2 3.55Å; Y541-W561 AromaticContact CD1-CH2 3.96Å; Y541-W561 HydrophobicContact CD1-CH2 3.96Å; Y541-W561 AromaticContact CD2-CH2 3.93Å; Y541-W561 HydrophobicContact CD2-CH2 3.93Å; Y541-W561 AromaticContact CD2-CZ3 3.95Å; Y541-W561 HydrophobicContact CD2-CZ3 3.95Å; Y541-W561 HydrophobicContact CE1-CH2 4.41Å; Y541-W561 HydrophobicContact CE2-CH2 4.39Å; Y541-W561 HydrophobicContact CE2-CZ3 4.27Å; Y541-W561 AromaticContact CG-CH2 3.72Å; Y541-W561 HydrophobicContact CG-CH2 3.72Å; Y541-W561 HydrophobicContact CG-CZ3 4.22Å; Y541-T603 CarbonylContact O-C 3.59Å; Y541-T603 WeakPolarHBondContact O-CA 3.3Å; Y541-L604 PolarHBondContact N-O 2.91Å; Y541-L604 PolarHBondContact O-N 2.92Å; Y541-V610 HydrophobicContact CE1-CG1 4.17Å; Y541-V610 HydrophobicContact CE2-CG1 4.19Å; Y541-V610 HydrophobicContact CE2-CG2 3.61Å; Y541-V610 WeakPolarHBondContact OH-CG2 3.5Å; Y541-P614 HydrophobicContact CD1-CB 4.28Å; Y541-P614 HydrophobicContact CE1-CB 4.18Å
542	S	95.5	Very high	85.7	Confident	23 Å²	23	49.5 Å²	49.5	16%	0.161	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	158.5	176.7	76.9	0	0	0	0	113.9	H378 V380 I602	H378-S542 PolarHBondContact N-O 3.43Å; H378-S542 PolarHBondContact O-N 2.99Å; V380-S542 WeakPolarHBondContact CG2-OG 3.32Å; S542-I602 WeakPolarHBondContact CA-O 3.43Å; S542-I602 VanDerWaalsContact CB-O 3.27Å; S542-I602 WeakPolarHBondContact CB-O 3.49Å
543	K	94.8	Very high	88	Confident	64 Å²	64	44.3 Å²	44.3	28%	0.278	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	139.2	170.2	-178	62	168.5	-169.8	0	109.8	T376 L377 H378 K601 I602	T376-K543 WeakPolarHBondContact O-CD 3.22Å; L377-K543 HydrophobicContact CD2-CB 3.75Å; H378-K543 PolarHBondContact NE2-NZ 3.45Å; H378-K543 VanDerWaalsContact NE2-NZ 3.11Å; K543-K601 WeakPolarHBondContact O-CA 3.41Å; K543-I602 HydrophobicContact CB-CG2 3.89Å; K543-I602 PolarHBondContact N-O 3.41Å; K543-I602 WeakPolarHBondContact O-CG2 3.38Å; K543-I602 PolarHBondContact O-N 2.78Å
544	T	95	Very high	90.1	Very high	67 Å²	67	35.8 Å²	35.8	41%	0.411	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	135.1	165	-53.6	0	0	0	0	109.1	L599 N600	T544-L599 HydrophobicContact CG2-CB 3.6Å; T544-L599 HydrophobicContact CG2-CD1 3.94Å; T544-L599 HydrophobicContact CG2-CD2 4.08Å; T544-L599 HydrophobicContact CG2-CG 4.07Å; T544-N600 CarbonylContact C-O 3.56Å; T544-N600 WeakPolarHBondContact CA-O 3.37Å; T544-N600 WeakPolarHBondContact CG2-O 3.2Å
545	F	94.8	Very high	92.2	Very high	7 Å²	7	34.1 Å²	34.1	3%	0.031	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	142.7	-176	62.9	-87	0	0	0	111.8	L372 L375 I547 N600 I602 F618	L372-F545 HydrophobicContact CD2-CD2 3.48Å; L372-F545 VanDerWaalsContact CD2-CD2 3.48Å; L372-F545 HydrophobicContact CD2-CE2 3.34Å; L372-F545 HydrophobicContact CD2-CZ 4.34Å; L375-F545 HydrophobicContact CD1-CB 3.98Å; L375-F545 HydrophobicContact CD1-CD1 3.51Å; L375-F545 HydrophobicContact CD1-CD2 3.91Å; L375-F545 HydrophobicContact CD1-CE1 3.88Å; L375-F545 HydrophobicContact CD1-CE2 4.24Å; L375-F545 HydrophobicContact CD1-CG 3.51Å; L375-F545 HydrophobicContact CD1-CZ 4.22Å; L375-F545 HydrophobicContact CD2-CB 4.4Å; F545-I547 HydrophobicContact CD2-CG1 4.43Å; F545-I547 HydrophobicContact CE2-CG1 4.17Å; F545-N600 HydrophobicContact CD1-CB 4.4Å; F545-N600 HydrophobicContact CD2-CB 4.15Å; F545-N600 HydrophobicContact CE1-CB 3.98Å; F545-N600 HydrophobicContact CE2-CB 3.72Å; F545-N600 HydrophobicContact CG-CB 4.49Å; F545-N600 HydrophobicContact CZ-CB 3.64Å; F545-N600 PolarHBondContact N-O 3.45Å; F545-N600 PolarHBondContact O-N 3Å; F545-I602 HydrophobicContact CD1-CG2 4.24Å; F545-I602 HydrophobicContact CE1-CB 4.17Å; F545-I602 HydrophobicContact CE1-CG2 3.9Å; F545-F618 HydrophobicContact CE1-CE2 4.35Å; F545-F618 HydrophobicContact CE1-CZ 4.32Å; F545-F618 HydrophobicContact CE2-CE2 4.3Å; F545-F618 AromaticContact CZ-CE2 3.86Å; F545-F618 HydrophobicContact CZ-CE2 3.86Å; F545-F618 AromaticContact CZ-CZ 3.76Å; F545-F618 HydrophobicContact CZ-CZ 3.76Å
546	P	95.3	Very high	94	Very high	58 Å²	58	29.4 Å²	29.4	38%	0.377	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	156.3	169.6	34.3	-33.5	0	0	0	111.2	L548 L599	P546-L548 HydrophobicContact CB-CD2 4.32Å; P546-L548 HydrophobicContact CG-CD2 4.4Å; P546-L599 HydrophobicContact CB-CD2 4.23Å
547	I	93.9	Very high	94.7	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.021	18%	0.18	C	C	.	.			trans	-105.9	119.7	163.2	-59.6	171.5	0	0	0	107.3	M370 L372 F545 V551 L593 R596 G597	M370-I547 HydrophobicContact CE-CD1 4.06Å; M370-I547 HydrophobicContact SD-CD1 4.26Å; M370-I547 HydrophobicContact SD-CG2 3.91Å; L372-I547 HydrophobicContact CD2-CG1 4.33Å; F545-I547 HydrophobicContact CD2-CG1 4.43Å; F545-I547 HydrophobicContact CE2-CG1 4.17Å; I547-V551 HydrophobicContact CB-CG2 4.46Å; I547-V551 HydrophobicContact CD1-CG2 4.19Å; I547-V551 HydrophobicContact CG2-CG2 4.07Å; I547-L593 HydrophobicContact CD1-CB 3.99Å; I547-L593 HydrophobicContact CD1-CD1 4.02Å; I547-L593 HydrophobicContact CD1-CD2 4.35Å; I547-L593 HydrophobicContact CD1-CG 4.36Å; I547-R596 WeakPolarHBondContact O-CA 3.41Å; I547-G597 PolarHBondContact O-N 3.3Å
548	L	89.4	Confident	95	Very high	125 Å²	125	29.2 Å²	29.2	65%	0.654	18%	0.178	S	C	*	.			trans	-93.2	-20.3	-176.1	-59.9	-178.2	0	0	0	113.4	P546 R596	P546-L548 HydrophobicContact CB-CD2 4.32Å; P546-L548 HydrophobicContact CG-CD2 4.4Å; L548-R596 WeakPolarHBondContact O-CD 3.45Å; L548-R596 PolarHBondContact O-NE 2.91Å
549	G	87.4	Confident	94.8	Very high	45 Å²	45	31.2 Å²	31.2	46%	0.464	19%	0.191	S	C	.	.	S	Bend	trans	-98.3	-161.3	179	0	0	0	0	0	113.4
550	S	89.9	Confident	94.7	Very high	109 Å²	109	33.4 Å²	33.4	76%	0.762	21%	0.214	S	C	*	.			trans	-70.2	138.3	169.2	45.8	0	0	0	0	110.7
551	V	93.6	Very high	94.8	Very high	38 Å²	38	33.4 Å²	33.4	23%	0.23	21%	0.214	C	C	.	.			trans	-83.7	121.5	176	-177.6	0	0	0	0	108.9	I547 R590 L593	I547-V551 HydrophobicContact CB-CG2 4.46Å; I547-V551 HydrophobicContact CD1-CG2 4.19Å; I547-V551 HydrophobicContact CG2-CG2 4.07Å; V551-R590 HydrophobicContact CG1-CB 4.18Å; V551-L593 HydrophobicContact CG1-CB 3.78Å; V551-L593 HydrophobicContact CG1-CD1 4.16Å
552	G	95.3	Very high	94.8	Very high	2 Å²	2	32.5 Å²	32.5	2%	0.021	21%	0.211	C	C	.	.			trans	-123.8	171.7	173.9	0	0	0	0	0	111.5	P368 R590	P368-G552 CarbonylContact O-C 3.54Å; P368-G552 VanDerWaalsContact O-CA 3.24Å; P368-G552 WeakPolarHBondContact O-CA 3.36Å; G552-R590 VanDerWaalsContact C-CB 3.49Å
553	D	97.9	Very high	94.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-61.8	147.3	166.7	-80.9	2.8	0	0	0	108.6	S367 P368 K369 M370 Y587 R590	S367-D553 WeakPolarHBondContact CB-OD2 3.36Å; S367-D553 VanDerWaalsContact OG-CG 3.32Å; S367-D553 PolarHBondContact OG-OD2 2.88Å; P368-D553 PolarHBondContact O-N 3.01Å; K369-D553 CarbonylContact C-O 3.19Å; K369-D553 WeakPolarHBondContact CA-O 3.37Å; K369-D553 HydrophobicContact CD-CB 3.76Å; M370-D553 PolarHBondContact N-O 2.89Å; D553-Y587 HydrophobicContact CB-CE2 3.96Å; D553-Y587 VanDerWaalsContact CG-OH 3.31Å; D553-Y587 PolarHBondContact OD2-OH 2.79Å; D553-R590 VanDerWaalsContact OD1-CB 3.28Å; D553-R590 WeakPolarHBondContact OD1-CB 3.18Å; D553-R590 WeakPolarHBondContact OD1-CG 3.43Å; D553-R590 PolarHBondContact OD1-N 3Å
554	T	98.4	Very high	95.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	171.7	-177.4	-171.1	0	0	0	0	111.5	M370 V588 L593 F618 L619	M370-T554 HydrophobicContact CE-CG2 3.84Å; M370-T554 VanDerWaalsContact O-CB 3.32Å; M370-T554 WeakPolarHBondContact O-CB 3.4Å; M370-T554 PolarHBondContact O-OG1 2.98Å; T554-V588 HydrophobicContact CG2-CB 3.74Å; T554-V588 HydrophobicContact CG2-CG1 4.26Å; T554-V588 HydrophobicContact CG2-CG2 4.32Å; T554-V588 PolarHBondContact N-O 2.84Å; T554-V588 WeakPolarHBondContact O-CA 3.27Å; T554-V588 PolarHBondContact O-N 3.14Å; T554-L593 HydrophobicContact CG2-CD1 4.21Å; T554-F618 HydrophobicContact CG2-CB 4.29Å; T554-F618 HydrophobicContact CG2-CD1 3.53Å; T554-F618 HydrophobicContact CG2-CE1 4.27Å; T554-F618 HydrophobicContact CG2-CG 4.3Å; T554-F618 WeakPolarHBondContact OG1-CB 3.45Å; T554-L619 PolarHBondContact OG1-O 2.76Å
555	F	98.7	Very high	95.3	Very high	3 Å²	3	25.3 Å²	25.3	1%	0.013	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	111.8	-175.8	-59.5	-83.4	0	0	0	109.9	A338 K369 H557 T585 L586 Y587 F618 L619 P622	A338-F555 HydrophobicContact CB-CE1 4.18Å; A338-F555 HydrophobicContact CB-CZ 3.71Å; K369-F555 HydrophobicContact CD-CE2 4.08Å; F555-H557 PolarHBondContact O-N 2.9Å; F555-T585 HydrophobicContact CB-CG2 4.25Å; F555-L586 CarbonylContact C-O 3.53Å; F555-L586 WeakPolarHBondContact CA-O 3.28Å; F555-Y587 HydrophobicContact CD1-CD2 4.25Å; F555-Y587 AromaticContact CE1-CD2 3.78Å; F555-Y587 HydrophobicContact CE1-CD2 3.78Å; F555-Y587 HydrophobicContact CE1-CG 4.36Å; F555-Y587 HydrophobicContact CZ-CD2 4.29Å; F555-F618 CarbonylContact O-C 3.5Å; F555-F618 WeakPolarHBondContact O-CA 3.38Å; F555-L619 HydrophobicContact CB-CB 4.45Å; F555-L619 PolarHBondContact N-O 2.85Å; F555-L619 PolarHBondContact O-N 3.37Å; F555-P622 HydrophobicContact CD1-CB 3.66Å; F555-P622 HydrophobicContact CD1-CG 4.48Å; F555-P622 HydrophobicContact CE1-CB 3.66Å; F555-P622 HydrophobicContact CE1-CG 4.06Å; F555-P622 HydrophobicContact CG-CB 4.14Å; F555-P622 HydrophobicContact CZ-CB 4.13Å; F555-P622 HydrophobicContact CZ-CG 4.07Å
556	L	98.7	Very high	95.4	Very high	0 Å²	0	25 Å²	25	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	115.1	-179.7	179.4	72.4	0	0	0	110.2	L558 V566 L573 T585 L586 V588 I602 V616 Q617 F618	L556-L558 HydrophobicContact CD2-CD1 4.07Å; L556-L558 HydrophobicContact CD2-CD2 4.46Å; L556-L558 HydrophobicContact CD2-CG 4.38Å; L556-L558 HydrophobicContact CG-CD1 3.95Å; L556-L558 HydrophobicContact CG-CG 4.26Å; L556-V566 HydrophobicContact CD2-CB 4.28Å; L556-V566 HydrophobicContact CD2-CG1 3.53Å; L556-V566 HydrophobicContact CD2-CG2 3.95Å; L556-L573 HydrophobicContact CD2-CD1 4.49Å; L556-T585 CarbonylContact O-C 3.59Å; L556-T585 WeakPolarHBondContact O-CA 3.35Å; L556-L586 HydrophobicContact CB-CB 4.35Å; L556-L586 PolarHBondContact N-O 3.44Å; L556-L586 PolarHBondContact O-N 3.04Å; L556-V588 HydrophobicContact CB-CG2 3.89Å; L556-I602 HydrophobicContact CD1-CD1 3.89Å; L556-I602 HydrophobicContact CD2-CD1 3.9Å; L556-V616 HydrophobicContact CD1-CB 3.83Å; L556-V616 HydrophobicContact CD1-CG1 4.38Å; L556-V616 HydrophobicContact CD1-CG2 4.08Å; L556-Q617 CarbonylContact C-O 3.6Å; L556-Q617 WeakPolarHBondContact CA-O 3.35Å; L556-F618 HydrophobicContact CB-CD1 4.4Å; L556-F618 HydrophobicContact CB-CE1 4.32Å; L556-F618 HydrophobicContact CD1-CD1 4.12Å; L556-F618 HydrophobicContact CD1-CE1 3.8Å; L556-F618 HydrophobicContact CD1-CE2 4.2Å; L556-F618 HydrophobicContact CD1-CZ 3.83Å
557	H	98.1	Very high	95.6	Very high	36 Å²	36	22.2 Å²	22.2	17%	0.167	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	132.9	174.6	-178.1	-133.1	0	0	0	110.5	F555 P559 T585 Q617 L619	F555-H557 PolarHBondContact O-N 2.9Å; H557-P559 VanDerWaalsContact C-CD 3.47Å; H557-P559 VanDerWaalsContact O-CD 3.3Å; H557-P559 WeakPolarHBondContact O-CD 3.21Å; H557-T585 HydrophobicContact CB-CG2 4Å; H557-Q617 HydrophobicContact CB-CB 4.33Å; H557-Q617 PolarHBondContact N-O 2.92Å; H557-Q617 PolarHBondContact O-N 3.41Å; H557-L619 HydrophobicContact CB-CD1 3.72Å; H557-L619 HydrophobicContact CB-CG 3.88Å
558	L	96.4	Very high	95.7	Very high	1 Å²	1	22 Å²	22	1%	0.005	15%	0.15	C	C	.	.			trans	-120.6	66.7	-174.5	-59.7	100.5	0	0	0	111.4	L556 G560 W561 V566 Y576 T578 L586 L604 V616	L556-L558 HydrophobicContact CD2-CD1 4.07Å; L556-L558 HydrophobicContact CD2-CD2 4.46Å; L556-L558 HydrophobicContact CD2-CG 4.38Å; L556-L558 HydrophobicContact CG-CD1 3.95Å; L556-L558 HydrophobicContact CG-CG 4.26Å; L558-G560 PolarHBondContact O-N 2.85Å; L558-W561 HydrophobicContact CB-CB 4.05Å; L558-W561 HydrophobicContact CB-CG 4.05Å; L558-W561 HydrophobicContact CD2-CG 4.48Å; L558-W561 PolarHBondContact O-N 2.79Å; L558-V566 HydrophobicContact CD2-CG2 4.06Å; L558-Y576 HydrophobicContact CB-CD2 4.45Å; L558-Y576 HydrophobicContact CD1-CG 4.17Å; L558-Y576 HydrophobicContact CD2-CD1 3.98Å; L558-Y576 HydrophobicContact CD2-CD2 4.21Å; L558-Y576 HydrophobicContact CD2-CE1 4.04Å; L558-Y576 HydrophobicContact CD2-CE2 4.29Å; L558-Y576 HydrophobicContact CD2-CG 4.05Å; L558-T578 HydrophobicContact CB-CG2 4.16Å; L558-T578 WeakPolarHBondContact O-CG2 3.4Å; L558-L586 HydrophobicContact CD1-CD1 4.44Å; L558-L604 HydrophobicContact CD2-CD1 3.6Å; L558-L604 HydrophobicContact CD2-CD2 4.42Å; L558-V616 HydrophobicContact CD2-CG1 4.17Å; L558-V616 HydrophobicContact CG-CG1 4.18Å
559	P	92.9	Very high	96	Very high	49 Å²	49	17.4 Å²	17.4	32%	0.318	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	132	-176.3	27.5	-33.9	0	0	0	111.3	H557 W561	H557-P559 VanDerWaalsContact C-CD 3.47Å; H557-P559 VanDerWaalsContact O-CD 3.3Å; H557-P559 WeakPolarHBondContact O-CD 3.21Å; P559-W561 PolarHBondContact O-N 2.85Å; P559-W561 VanDerWaalsContact O-N 3.15Å
560	G	92.6	Very high	96.3	Very high	47 Å²	47	15.8 Å²	15.8	49%	0.485	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	-17.9	175.7	0	0	0	0	0	116.1	L558	L558-G560 PolarHBondContact O-N 2.85Å
561	W	96	Very high	96.6	Very high	1 Å²	1	14 Å²	14	0%	0.004	9%	0.088	C	C	.	.			trans	-60.7	169.9	166.3	-62.5	87.2	0	0	0	110.9	L377 Y541 L558 P559 Y576 T578 L604 E606 V610 P611 P614 Q615	L377-W561 HydrophobicContact CB-CZ2 4.4Å; L377-W561 HydrophobicContact CD1-CH2 4.04Å; L377-W561 HydrophobicContact CD1-CZ2 3.51Å; L377-W561 HydrophobicContact CG-CZ2 4.5Å; Y541-W561 AromaticContact CD1-CH2 3.96Å; Y541-W561 HydrophobicContact CD1-CH2 3.96Å; Y541-W561 AromaticContact CD2-CH2 3.93Å; Y541-W561 HydrophobicContact CD2-CH2 3.93Å; Y541-W561 AromaticContact CD2-CZ3 3.95Å; Y541-W561 HydrophobicContact CD2-CZ3 3.95Å; Y541-W561 HydrophobicContact CE1-CH2 4.41Å; Y541-W561 HydrophobicContact CE2-CH2 4.39Å; Y541-W561 HydrophobicContact CE2-CZ3 4.27Å; Y541-W561 AromaticContact CG-CH2 3.72Å; Y541-W561 HydrophobicContact CG-CH2 3.72Å; Y541-W561 HydrophobicContact CG-CZ3 4.22Å; L558-W561 HydrophobicContact CB-CB 4.05Å; L558-W561 HydrophobicContact CB-CG 4.05Å; L558-W561 HydrophobicContact CD2-CG 4.48Å; L558-W561 PolarHBondContact O-N 2.79Å; P559-W561 PolarHBondContact O-N 2.85Å; P559-W561 VanDerWaalsContact O-N 3.15Å; W561-Y576 HydrophobicContact CB-CD2 4.48Å; W561-Y576 HydrophobicContact CB-CE2 3.67Å; W561-T578 VanDerWaalsContact C-OG1 3.27Å; W561-T578 PolarHBondContact O-OG1 2.73Å; W561-L604 HydrophobicContact CD2-CD2 3.59Å; W561-L604 HydrophobicContact CE3-CD2 3.31Å; W561-L604 HydrophobicContact CH2-CD2 3.39Å; W561-L604 HydrophobicContact CZ2-CD2 3.67Å; W561-L604 HydrophobicContact CZ3-CD2 3.2Å; W561-L604 HydrophobicContact CZ3-CG 4.48Å; W561-E606 HydrophobicContact CE3-CB 3.82Å; W561-E606 HydrophobicContact CE3-CG 3.84Å; W561-E606 HydrophobicContact CZ3-CB 3.73Å; W561-E606 HydrophobicContact CZ3-CG 4.05Å; W561-V610 HydrophobicContact CH2-CG1 4.07Å; W561-V610 HydrophobicContact CZ3-CB 4.5Å; W561-V610 HydrophobicContact CZ3-CG1 3.91Å; W561-V610 HydrophobicContact CZ3-CG2 4.26Å; W561-P611 HydrophobicContact CD2-CG 4.02Å; W561-P611 HydrophobicContact CG-CG 4.11Å; W561-P611 HydrophobicContact CZ2-CG 4.48Å; W561-P614 HydrophobicContact CH2-CB 3.72Å; W561-P614 HydrophobicContact CZ2-CB 3.55Å; W561-Q615 PolarHBondContact NE1-O 2.89Å
562	T	96.3	Very high	96.8	Very high	4 Å²	4	12.8 Å²	12.8	3%	0.025	8%	0.08	C	C	.	.			trans	-119.3	-67.1	-176.4	57.5	0	0	0	0	114.9	W577 T578 K579 E606 E608 N609	T562-W577 WeakPolarHBondContact O-CA 3.08Å; T562-W577 VanDerWaalsContact O-CD1 3.31Å; T562-T578 PolarHBondContact O-N 3.49Å; T562-T578 PolarHBondContact O-OG1 3Å; T562-K579 HydrophobicContact CG2-CD 4.27Å; T562-K579 HydrophobicContact CG2-CG 3.72Å; T562-E606 PolarHBondContact N-OE2 2.73Å; T562-E606 PolarHBondContact OG1-OE1 3.15Å; T562-E608 WeakPolarHBondContact OG1-CB 3.33Å; T562-N609 HydrophobicContact CG2-CB 3.85Å; T562-N609 PolarHBondContact OG1-N 2.8Å; T562-N609 PolarHBondContact OG1-O 2.89Å; T562-N609 VanDerWaalsContact OG1-O 3.12Å
563	K	98.3	Very high	97	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.009	8%	0.08	C	C	.	.	S	Bend	trans	-154.7	137.4	179.9	-169.4	-176.8	-173.7	-61.7	0	110.3	E476 Y576 W577 E606 L607	E476-K563 IonicContact OE1-NZ 3.63Å; E476-K563 PolarHBondContact OE1-NZ 2.98Å; E476-K563 IonicContact OE2-NZ 3.87Å; E476-K563 PolarHBondContact OE2-NZ 2.8Å; K563-Y576 WeakPolarHBondContact CA-O 3.32Å; K563-W577 HydrophobicContact CB-CG 4.18Å; K563-W577 HydrophobicContact CD-CD2 3.64Å; K563-W577 VanDerWaalsContact CD-CE2 3.49Å; K563-W577 HydrophobicContact CD-CE3 4.1Å; K563-W577 HydrophobicContact CD-CG 3.98Å; K563-W577 HydrophobicContact CD-CH2 4.19Å; K563-W577 HydrophobicContact CD-CZ2 3.75Å; K563-W577 HydrophobicContact CD-CZ3 4.4Å; K563-W577 VanDerWaalsContact CE-CE3 3.49Å; K563-W577 HydrophobicContact CG-CB 4.17Å; K563-W577 HydrophobicContact CG-CD2 3.99Å; K563-W577 HydrophobicContact CG-CG 3.78Å; K563-E606 PolarHBondContact N-OE1 2.57Å; K563-E606 VanDerWaalsContact N-OE1 3.15Å; K563-E606 PolarHBondContact N-OE2 3.28Å; K563-L607 WeakPolarHBondContact O-CB 3.01Å; K563-L607 PolarHBondContact O-N 3.06Å
564	G	98.2	Very high	97	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.7	-162.6	-179.9	0	0	0	0	0	115.1	R575 Y576 L605	G564-R575 WeakPolarHBondContact O-CA 3.38Å; G564-Y576 VanDerWaalsContact C-CD1 3.44Å; G564-Y576 VanDerWaalsContact N-CZ 3.33Å; G564-Y576 PolarHBondContact N-O 3.43Å; G564-Y576 WeakPolarHBondContact O-CD1 3.23Å; G564-Y576 PolarHBondContact O-N 3.49Å; G564-L605 CarbonylContact C-O 3.58Å; G564-L605 WeakPolarHBondContact CA-O 3.41Å
565	Q	98.7	Very high	97	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142.6	-179.3	-161.5	81.6	27.4	0	0	110.2	G311 Y312 W567 N572 G574 R575 L605	G311-Q565 PolarHBondContact O-NE2 3.31Å; Y312-Q565 VanDerWaalsContact CE1-CD 3.48Å; Y312-Q565 HydrophobicContact CE1-CG 4.23Å; Y312-Q565 VanDerWaalsContact CE1-OE1 3.27Å; Q565-W567 HydrophobicContact CB-CH2 3.46Å; Q565-W567 VanDerWaalsContact CB-CH2 3.46Å; Q565-W567 HydrophobicContact CB-CZ2 4.2Å; Q565-W567 HydrophobicContact CB-CZ3 3.67Å; Q565-W567 HydrophobicContact CG-CE3 4.46Å; Q565-W567 HydrophobicContact CG-CH2 3.41Å; Q565-W567 VanDerWaalsContact CG-CH2 3.41Å; Q565-W567 HydrophobicContact CG-CZ2 3.6Å; Q565-W567 HydrophobicContact CG-CZ3 3.87Å; Q565-W567 WeakPolarHBondContact O-CZ3 3.26Å; Q565-N572 PolarHBondContact NE2-ND2 2.94Å; Q565-N572 PolarHBondContact NE2-OD1 2.76Å; Q565-G574 PolarHBondContact NE2-O 3.41Å; Q565-R575 VanDerWaalsContact OE1-CG 3.29Å; Q565-L605 PolarHBondContact N-O 2.56Å; Q565-L605 PolarHBondContact O-N 2.91Å
566	V	98.5	Very high	97	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	140.1	-178.9	-176.3	0	0	0	0	111.7	L556 L558 N572 L573 G574 Y576 L586 I602 L604	L556-V566 HydrophobicContact CD2-CB 4.28Å; L556-V566 HydrophobicContact CD2-CG1 3.53Å; L556-V566 HydrophobicContact CD2-CG2 3.95Å; L558-V566 HydrophobicContact CD2-CG2 4.06Å; V566-N572 PolarHBondContact O-OD1 2.87Å; V566-L573 HydrophobicContact CB-CB 4.4Å; V566-L573 HydrophobicContact CG1-CD1 3.97Å; V566-L573 PolarHBondContact O-N 2.88Å; V566-G574 PolarHBondContact N-O 3.03Å; V566-G574 VanDerWaalsContact N-O 3.17Å; V566-Y576 HydrophobicContact CG2-CD1 3.77Å; V566-Y576 HydrophobicContact CG2-CE1 4.17Å; V566-L586 HydrophobicContact CB-CD1 4.13Å; V566-L586 HydrophobicContact CG2-CD1 3.71Å; V566-I602 HydrophobicContact CG1-CD1 4.25Å; V566-I602 HydrophobicContact CG1-CG1 4.26Å; V566-L604 HydrophobicContact CB-CD1 4.45Å; V566-L604 HydrophobicContact CG2-CD1 3.46Å; V566-L604 VanDerWaalsContact CG2-CD1 3.46Å
567	W	98.4	Very high	97	Very high	1 Å²	1	13.4 Å²	13.4	0%	0.004	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	139	166.2	-59.2	-105.9	0	0	0	111.9	I514 D515 V518 Q565 F571 N572 I602 T603 L605	I514-W567 HydrophobicContact CB-CZ2 4.48Å; I514-W567 HydrophobicContact CG2-CH2 3.53Å; I514-W567 HydrophobicContact CG2-CZ2 3.61Å; I514-W567 HydrophobicContact CG2-CZ3 4.46Å; D515-W567 WeakPolarHBondContact OD1-CZ2 3.28Å; D515-W567 PolarHBondContact OD1-NE1 2.91Å; V518-W567 HydrophobicContact CB-CD2 4.32Å; V518-W567 HydrophobicContact CB-CG 4.25Å; V518-W567 HydrophobicContact CG1-CB 3.65Å; V518-W567 HydrophobicContact CG1-CD2 3.96Å; V518-W567 HydrophobicContact CG1-CE3 4.44Å; V518-W567 HydrophobicContact CG1-CG 3.58Å; V518-W567 HydrophobicContact CG2-CD2 4.13Å; V518-W567 HydrophobicContact CG2-CE3 4.26Å; Q565-W567 HydrophobicContact CB-CH2 3.46Å; Q565-W567 VanDerWaalsContact CB-CH2 3.46Å; Q565-W567 HydrophobicContact CB-CZ2 4.2Å; Q565-W567 HydrophobicContact CB-CZ3 3.67Å; Q565-W567 HydrophobicContact CG-CE3 4.46Å; Q565-W567 HydrophobicContact CG-CH2 3.41Å; Q565-W567 VanDerWaalsContact CG-CH2 3.41Å; Q565-W567 HydrophobicContact CG-CZ2 3.6Å; Q565-W567 HydrophobicContact CG-CZ3 3.87Å; Q565-W567 WeakPolarHBondContact O-CZ3 3.26Å; W567-F571 CarbonylContact C-O 3.3Å; W567-F571 WeakPolarHBondContact CA-O 3.41Å; W567-N572 VanDerWaalsContact CD1-CA 3.4Å; W567-N572 HydrophobicContact CG-CB 4.39Å; W567-N572 VanDerWaalsContact NE1-CB 3.35Å; W567-N572 PolarHBondContact NE1-ND2 3.37Å; W567-I602 WeakPolarHBondContact O-CA 3.2Å; W567-T603 PolarHBondContact N-O 2.9Å; W567-T603 PolarHBondContact O-N 2.96Å; W567-L605 HydrophobicContact CH2-CB 4.16Å; W567-L605 HydrophobicContact CZ3-CB 3.81Å
568	I	97.1	Very high	96.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.5	168.3	-62.9	-64.3	0	0	0	107.8	G570 F571 L573 V588 L593 I602 F618	I568-G570 PolarHBondContact O-N 3.24Å; I568-G570 VanDerWaalsContact O-N 3.11Å; I568-F571 PolarHBondContact N-O 3.38Å; I568-F571 WeakPolarHBondContact O-CB 3.49Å; I568-F571 PolarHBondContact O-N 3Å; I568-L573 HydrophobicContact CB-CD1 4.43Å; I568-L573 HydrophobicContact CG1-CD1 3.5Å; I568-L573 HydrophobicContact CG1-CG 4.09Å; I568-V588 HydrophobicContact CG1-CG1 4.35Å; I568-L593 HydrophobicContact CG2-CD2 3.71Å; I568-I602 HydrophobicContact CD1-CB 3.6Å; I568-I602 HydrophobicContact CD1-CD1 3.9Å; I568-I602 HydrophobicContact CD1-CG1 3.66Å; I568-F618 HydrophobicContact CD1-CE1 4.41Å; I568-F618 HydrophobicContact CD1-CZ 4.15Å
569	N	95.3	Very high	96.6	Very high	28 Å²	28	17.9 Å²	17.9	15%	0.15	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	38.4	-178.8	-61.1	-31.1	0	0	0	112.9	F571 L592 F594 N600 K601	N569-F571 PolarHBondContact O-N 2.94Å; N569-L592 PolarHBondContact ND2-O 3.01Å; N569-F594 HydrophobicContact CB-CE2 3.98Å; N569-F594 HydrophobicContact CB-CZ 4.17Å; N569-F594 VanDerWaalsContact CG-CE2 3.44Å; N569-N600 PolarHBondContact ND2-OD1 3.24Å; N569-N600 WeakPolarHBondContact OD1-CA 3.2Å; N569-K601 PolarHBondContact N-O 2.74Å; N569-K601 PolarHBondContact OD1-N 2.77Å
570	G	93.5	Very high	96.7	Very high	10 Å²	10	16.2 Å²	16.2	10%	0.103	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	-4.3	-178.4	0	0	0	0	0	115.3	K519 I568	K519-G570 WeakPolarHBondContact CE-O 3.44Å; K519-G570 VanDerWaalsContact CG-O 3.31Å; K519-G570 WeakPolarHBondContact CG-O 3.35Å; I568-G570 PolarHBondContact O-N 3.24Å; I568-G570 VanDerWaalsContact O-N 3.11Å
571	F	96.3	Very high	96.8	Very high	71 Å²	71	14 Å²	14	31%	0.311	7%	0.067	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	126.1	172.9	-174.2	-84.1	0	0	0	110.5	F310 W567 I568 N569 L573 L592	F310-F571 HydrophobicContact CB-CE1 4.25Å; F310-F571 HydrophobicContact CB-CZ 4.24Å; F310-F571 AromaticContact CD1-CE1 3.56Å; F310-F571 HydrophobicContact CD1-CE1 3.56Å; F310-F571 HydrophobicContact CD1-CZ 4.11Å; F310-F571 HydrophobicContact CD2-CZ 4.28Å; F310-F571 AromaticContact CE1-CE1 3.99Å; F310-F571 HydrophobicContact CE1-CE1 3.99Å; F310-F571 AromaticContact CG-CE1 3.87Å; F310-F571 HydrophobicContact CG-CE1 3.87Å; F310-F571 AromaticContact CG-CZ 3.95Å; F310-F571 HydrophobicContact CG-CZ 3.95Å; W567-F571 CarbonylContact C-O 3.3Å; W567-F571 WeakPolarHBondContact CA-O 3.41Å; I568-F571 PolarHBondContact N-O 3.38Å; I568-F571 WeakPolarHBondContact O-CB 3.49Å; I568-F571 PolarHBondContact O-N 3Å; N569-F571 PolarHBondContact O-N 2.94Å; F571-L573 HydrophobicContact CD1-CD2 4.05Å; F571-L573 HydrophobicContact CE1-CD2 4.35Å; F571-L573 PolarHBondContact O-N 3.02Å; F571-L592 HydrophobicContact CB-CD1 4.36Å; F571-L592 HydrophobicContact CB-CD2 3.79Å; F571-L592 HydrophobicContact CD1-CD1 3.46Å; F571-L592 VanDerWaalsContact CD1-CD1 3.46Å; F571-L592 HydrophobicContact CD1-CD2 3.92Å; F571-L592 HydrophobicContact CD1-CG 4.38Å; F571-L592 HydrophobicContact CD2-CD2 3.71Å; F571-L592 HydrophobicContact CE1-CD1 3.87Å; F571-L592 HydrophobicContact CE1-CD2 4.45Å; F571-L592 HydrophobicContact CE2-CD2 4.26Å; F571-L592 HydrophobicContact CG-CD1 3.94Å; F571-L592 HydrophobicContact CG-CD2 3.52Å; F571-L592 HydrophobicContact CG-CG 4.41Å
572	N	98	Very high	96.9	Very high	14 Å²	14	14 Å²	14	8%	0.075	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	107.2	-179.3	-168.9	-21.3	0	0	0	110.7	G311 Y312 D515 Q565 V566 W567 G574	G311-N572 PolarHBondContact N-O 2.85Å; Y312-N572 WeakPolarHBondContact CE2-ND2 3.44Å; D515-N572 PolarHBondContact OD1-ND2 3.42Å; Q565-N572 PolarHBondContact NE2-ND2 2.94Å; Q565-N572 PolarHBondContact NE2-OD1 2.76Å; V566-N572 PolarHBondContact O-OD1 2.87Å; W567-N572 VanDerWaalsContact CD1-CA 3.4Å; W567-N572 HydrophobicContact CG-CB 4.39Å; W567-N572 VanDerWaalsContact NE1-CB 3.35Å; W567-N572 PolarHBondContact NE1-ND2 3.37Å; N572-G574 VanDerWaalsContact C-N 3.3Å; N572-G574 PolarHBondContact O-N 2.89Å; N572-G574 PolarHBondContact OD1-N 3.35Å
573	L	98.4	Very high	97	Very high	1 Å²	1	14 Å²	14	1%	0.005	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	-26.6	-179.2	-69.7	-176.9	0	0	0	112.9	F310 L556 V566 I568 F571 V588 L592	F310-L573 WeakPolarHBondContact CD1-O 3.13Å; F310-L573 HydrophobicContact CE1-CD2 4.32Å; L556-L573 HydrophobicContact CD2-CD1 4.49Å; V566-L573 HydrophobicContact CB-CB 4.4Å; V566-L573 HydrophobicContact CG1-CD1 3.97Å; V566-L573 PolarHBondContact O-N 2.88Å; I568-L573 HydrophobicContact CB-CD1 4.43Å; I568-L573 HydrophobicContact CG1-CD1 3.5Å; I568-L573 HydrophobicContact CG1-CG 4.09Å; F571-L573 HydrophobicContact CD1-CD2 4.05Å; F571-L573 HydrophobicContact CE1-CD2 4.35Å; F571-L573 PolarHBondContact O-N 3.02Å; L573-V588 HydrophobicContact CD1-CG2 3.69Å; L573-L592 HydrophobicContact CD2-CD1 3.58Å
574	G	98.4	Very high	96.9	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	121.2	-164.7	-175.4	0	0	0	0	0	113.2	G311 Q565 V566 N572	G311-G574 WeakPolarHBondContact O-CA 3.4Å; Q565-G574 PolarHBondContact NE2-O 3.41Å; V566-G574 PolarHBondContact N-O 3.03Å; V566-G574 VanDerWaalsContact N-O 3.17Å; N572-G574 VanDerWaalsContact C-N 3.3Å; N572-G574 PolarHBondContact O-N 2.89Å; N572-G574 PolarHBondContact OD1-N 3.35Å
575	R	98.8	Very high	97	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.008	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	142	-173.8	-55.8	174.4	-158.4	-95.5	5.4	110.6	N314 T327 E476 N477 G564 Q565 L586	N314-R575 PolarHBondContact OD1-NE 3.3Å; N314-R575 PolarHBondContact OD1-NH2 3.08Å; T327-R575 PolarHBondContact OG1-N 3.47Å; T327-R575 PolarHBondContact OG1-O 3.32Å; E476-R575 IonicContact OE1-CZ 2.66Å; E476-R575 IonicContact OE1-NH1 3.44Å; E476-R575 PolarHBondContact OE1-NH1 3.5Å; N477-R575 VanDerWaalsContact O-CZ 3.24Å; N477-R575 PolarHBondContact O-NH1 3.18Å; N477-R575 PolarHBondContact O-NH2 3.39Å; G564-R575 WeakPolarHBondContact O-CA 3.38Å; Q565-R575 VanDerWaalsContact OE1-CG 3.29Å; R575-L586 WeakPolarHBondContact O-CD2 3.38Å
576	Y	98.6	Very high	97	Very high	6 Å²	6	15.3 Å²	15.3	2%	0.024	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	148.4	162	71	-81.9	0	0	0	109.9	L558 W561 K563 G564 V566 T578 L604 E606	L558-Y576 HydrophobicContact CB-CD2 4.45Å; L558-Y576 HydrophobicContact CD1-CG 4.17Å; L558-Y576 HydrophobicContact CD2-CD1 3.98Å; L558-Y576 HydrophobicContact CD2-CD2 4.21Å; L558-Y576 HydrophobicContact CD2-CE1 4.04Å; L558-Y576 HydrophobicContact CD2-CE2 4.29Å; L558-Y576 HydrophobicContact CD2-CG 4.05Å; W561-Y576 HydrophobicContact CB-CD2 4.48Å; W561-Y576 HydrophobicContact CB-CE2 3.67Å; K563-Y576 WeakPolarHBondContact CA-O 3.32Å; G564-Y576 VanDerWaalsContact C-CD1 3.44Å; G564-Y576 VanDerWaalsContact N-CZ 3.33Å; G564-Y576 PolarHBondContact N-O 3.43Å; G564-Y576 WeakPolarHBondContact O-CD1 3.23Å; G564-Y576 PolarHBondContact O-N 3.49Å; V566-Y576 HydrophobicContact CG2-CD1 3.77Å; V566-Y576 HydrophobicContact CG2-CE1 4.17Å; Y576-T578 HydrophobicContact CD2-CG2 4.12Å; Y576-L604 HydrophobicContact CD1-CD1 4.08Å; Y576-L604 HydrophobicContact CE1-CD1 3.28Å; Y576-L604 HydrophobicContact CE1-CG 4.21Å; Y576-E606 WeakPolarHBondContact OH-CA 3.38Å; Y576-E606 VanDerWaalsContact OH-CD 3.3Å; Y576-E606 PolarHBondContact OH-OE2 2.81Å
577	W	97.9	Very high	97	Very high	8 Å²	8	15.5 Å²	15.5	3%	0.03	7%	0.074	C	C	.	.			trans	-148.8	72.5	173	-160.8	-5.5	0	0	0	111.4	W273 E454 M478 T562 K563 K579 R580 G581	W273-W577 HydrophobicContact CB-CE3 3.69Å; W273-W577 HydrophobicContact CB-CZ3 4.04Å; W273-W577 HydrophobicContact CD2-CB 3.95Å; W273-W577 HydrophobicContact CD2-CE3 4.16Å; W273-W577 HydrophobicContact CE3-CB 3.57Å; W273-W577 AromaticContact CG-CE3 3.73Å; W273-W577 HydrophobicContact CG-CE3 3.73Å; W273-W577 HydrophobicContact CG-CZ3 4.37Å; W273-W577 HydrophobicContact CH2-CB 4.23Å; W273-W577 HydrophobicContact CZ3-CB 3.73Å; E454-W577 WeakPolarHBondContact OE1-CH2 3.39Å; M478-W577 HydrophobicContact CE-CE3 4Å; M478-W577 HydrophobicContact CE-CH2 3.84Å; M478-W577 HydrophobicContact CE-CZ3 3.24Å; M478-W577 HydrophobicContact SD-CZ3 4.48Å; T562-W577 WeakPolarHBondContact O-CA 3.08Å; T562-W577 VanDerWaalsContact O-CD1 3.31Å; K563-W577 HydrophobicContact CB-CG 4.18Å; K563-W577 HydrophobicContact CD-CD2 3.64Å; K563-W577 VanDerWaalsContact CD-CE2 3.49Å; K563-W577 HydrophobicContact CD-CE3 4.1Å; K563-W577 HydrophobicContact CD-CG 3.98Å; K563-W577 HydrophobicContact CD-CH2 4.19Å; K563-W577 HydrophobicContact CD-CZ2 3.75Å; K563-W577 HydrophobicContact CD-CZ3 4.4Å; K563-W577 VanDerWaalsContact CE-CE3 3.49Å; K563-W577 HydrophobicContact CG-CB 4.17Å; K563-W577 HydrophobicContact CG-CD2 3.99Å; K563-W577 HydrophobicContact CG-CG 3.78Å; W577-K579 PolarHBondContact O-N 3.14Å; W577-R580 HydrophobicContact CD2-CB 3.96Å; W577-R580 HydrophobicContact CD2-CG 3.7Å; W577-R580 VanDerWaalsContact CE2-CD 3.49Å; W577-R580 VanDerWaalsContact CE2-CG 3.5Å; W577-R580 HydrophobicContact CE3-CB 4.42Å; W577-R580 HydrophobicContact CE3-CG 4.21Å; W577-R580 HydrophobicContact CG-CB 3.95Å; W577-R580 HydrophobicContact CG-CG 4.08Å; W577-R580 HydrophobicContact CH2-CG 4.44Å; W577-R580 HydrophobicContact CZ2-CG 3.96Å; W577-R580 HydrophobicContact CZ3-CG 4.5Å; W577-R580 PolarHBondContact O-N 3.22Å; W577-G581 PolarHBondContact O-N 3.21Å
578	T	95.2	Very high	97	Very high	16 Å²	16	15.5 Å²	15.5	10%	0.098	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-32.4	-174.3	49.9	0	0	0	0	112.8	L558 W561 T562 Y576 R580 Q584	L558-T578 HydrophobicContact CB-CG2 4.16Å; L558-T578 WeakPolarHBondContact O-CG2 3.4Å; W561-T578 VanDerWaalsContact C-OG1 3.27Å; W561-T578 PolarHBondContact O-OG1 2.73Å; T562-T578 PolarHBondContact O-N 3.49Å; T562-T578 PolarHBondContact O-OG1 3Å; Y576-T578 HydrophobicContact CD2-CG2 4.12Å; T578-R580 VanDerWaalsContact C-N 3.25Å; T578-R580 PolarHBondContact O-N 3.3Å; T578-Q584 PolarHBondContact O-NE2 2.89Å; T578-Q584 PolarHBondContact O-OE1 2.85Å
579	K	92.3	Very high	97	Very high	116 Å²	116	15.5 Å²	15.5	50%	0.504	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-20.3	176.2	-68.5	-67.8	-179.5	-178.5	0	113.9	T562 W577 S628	T562-K579 HydrophobicContact CG2-CD 4.27Å; T562-K579 HydrophobicContact CG2-CG 3.72Å; W577-K579 PolarHBondContact O-N 3.14Å; K579-S628 WeakPolarHBondContact O-CB 3.49Å
580	R	93.9	Very high	97	Very high	14 Å²	14	19.8 Å²	19.8	5%	0.053	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-49.1	175.4	-75.6	-159.2	-175.1	-132.4	-3.8	112.4	E454 M457 W577 T578 S628 H631	E454-R580 IonicContact OE1-CZ 2.72Å; E454-R580 IonicContact OE1-NE 2.76Å; E454-R580 IonicContact OE1-NH1 3.53Å; E454-R580 IonicContact OE1-NH2 3.5Å; E454-R580 PolarHBondContact OE1-NH2 3.44Å; E454-R580 IonicContact OE2-NH2 2.91Å; E454-R580 PolarHBondContact OE2-NH2 2.76Å; M457-R580 PolarHBondContact SD-NH1 2.81Å; M457-R580 VanDerWaalsContact SD-NH1 3.36Å; M457-R580 PolarHBondContact SD-NH2 2.84Å; W577-R580 HydrophobicContact CD2-CB 3.96Å; W577-R580 HydrophobicContact CD2-CG 3.7Å; W577-R580 VanDerWaalsContact CE2-CD 3.49Å; W577-R580 VanDerWaalsContact CE2-CG 3.5Å; W577-R580 HydrophobicContact CE3-CB 4.42Å; W577-R580 HydrophobicContact CE3-CG 4.21Å; W577-R580 HydrophobicContact CG-CB 3.95Å; W577-R580 HydrophobicContact CG-CG 4.08Å; W577-R580 HydrophobicContact CH2-CG 4.44Å; W577-R580 HydrophobicContact CZ2-CG 3.96Å; W577-R580 HydrophobicContact CZ3-CG 4.5Å; W577-R580 PolarHBondContact O-N 3.22Å; T578-R580 VanDerWaalsContact C-N 3.25Å; T578-R580 PolarHBondContact O-N 3.3Å; R580-S628 PolarHBondContact O-N 3.38Å; R580-H631 PolarHBondContact NE-NE2 3.05Å; R580-H631 PolarHBondContact NH1-NE2 2.8Å; R580-H631 PolarHBondContact NH2-NE2 3.01Å
581	G	95.6	Very high	96.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	10%	0.099	C	C	.	.			trans	68.3	-167.8	-164.8	0	0	0	0	0	111.9	W273 G274 W577 S626	W273-G581 CarbonylContact C-O 3.57Å; W273-G581 WeakPolarHBondContact CA-O 3.23Å; W273-G581 VanDerWaalsContact CE3-O 3.27Å; G274-G581 PolarHBondContact N-O 3.14Å; W577-G581 PolarHBondContact O-N 3.21Å; G581-S626 WeakPolarHBondContact CA-O 3.42Å
582	P	97.1	Very high	96.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	9%	0.089	C	C	.	.	S	Bend	cis	-77.9	-22.6	7.4	33.7	-35.7	0	0	0	112.5	D271 Y272 Q275 H277 Q584 L624 S626 T627	D271-P582 HydrophobicContact CB-CG 4.35Å; Y272-P582 WeakPolarHBondContact O-CD 3.44Å; Q275-P582 WeakPolarHBondContact O-CB 3.38Å; Q275-P582 WeakPolarHBondContact O-CD 3.38Å; Q275-P582 WeakPolarHBondContact O-CG 3.31Å; H277-P582 HydrophobicContact CB-CB 4.2Å; H277-P582 HydrophobicContact CB-CG 4.43Å; P582-Q584 PolarHBondContact O-N 2.9Å; P582-L624 CarbonylContact C-O 3.54Å; P582-L624 VanDerWaalsContact CB-O 3.23Å; P582-L624 WeakPolarHBondContact CB-O 3.48Å; P582-L624 CarbonylContact O-C 3.49Å; P582-S626 WeakPolarHBondContact CA-O 3.41Å; P582-S626 PolarHBondContact O-N 2.94Å; P582-T627 HydrophobicContact CB-CG2 3.81Å
583	Q	98.1	Very high	96.7	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.019	9%	0.088	C	C	.	.			trans	-67.1	122.2	173.8	179.7	179.8	4.4	0	0	111.9	W273 T327 T585 L624	W273-Q583 HydrophobicContact CH2-CB 3.92Å; W273-Q583 HydrophobicContact CH2-CG 4.18Å; W273-Q583 HydrophobicContact CZ3-CB 3.89Å; W273-Q583 WeakPolarHBondContact CZ3-O 3.4Å; T327-Q583 VanDerWaalsContact N-OE1 3.08Å; Q583-T585 WeakPolarHBondContact CG-O 3.46Å; Q583-T585 PolarHBondContact NE2-O 3.18Å; Q583-L624 HydrophobicContact CB-CD2 4.32Å; Q583-L624 HydrophobicContact CG-CD2 3.95Å
584	Q	97.6	Very high	96.4	Very high	26 Å²	26	24 Å²	24	12%	0.121	10%	0.104	C	C	.	.			trans	-114.5	-12.7	175.4	-62.1	-61.9	-33.7	0	0	113.2	T578 P582 I623 S626	T578-Q584 PolarHBondContact O-NE2 2.89Å; T578-Q584 PolarHBondContact O-OE1 2.85Å; P582-Q584 PolarHBondContact O-N 2.9Å; Q584-I623 HydrophobicContact CB-CB 4.06Å; Q584-I623 HydrophobicContact CB-CG2 3.87Å; Q584-I623 HydrophobicContact CG-CG2 4.13Å; Q584-I623 PolarHBondContact N-O 3.45Å; Q584-S626 PolarHBondContact NE2-O 2.74Å
585	T	98.4	Very high	95.8	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	148.6	176.9	56.5	0	0	0	0	112.7	F555 L556 H557 Q583 L619 P622 I623	F555-T585 HydrophobicContact CB-CG2 4.25Å; L556-T585 CarbonylContact O-C 3.59Å; L556-T585 WeakPolarHBondContact O-CA 3.35Å; H557-T585 HydrophobicContact CB-CG2 4Å; Q583-T585 WeakPolarHBondContact CG-O 3.46Å; Q583-T585 PolarHBondContact NE2-O 3.18Å; T585-L619 HydrophobicContact CG2-CD1 4.11Å; T585-P622 WeakPolarHBondContact OG1-CA 3.2Å; T585-I623 HydrophobicContact CG2-CB 3.97Å; T585-I623 HydrophobicContact CG2-CD1 4.26Å; T585-I623 HydrophobicContact CG2-CG1 4.03Å; T585-I623 PolarHBondContact N-O 3.35Å; T585-I623 PolarHBondContact OG1-N 2.8Å
586	L	98.9	Very high	95.3	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.016	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	130	170.8	-74.2	165.3	0	0	0	110.8	T327 F555 L556 L558 V566 R575 V588	T327-L586 HydrophobicContact CG2-CD2 3.45Å; T327-L586 VanDerWaalsContact CG2-CD2 3.45Å; F555-L586 CarbonylContact C-O 3.53Å; F555-L586 WeakPolarHBondContact CA-O 3.28Å; L556-L586 HydrophobicContact CB-CB 4.35Å; L556-L586 PolarHBondContact N-O 3.44Å; L556-L586 PolarHBondContact O-N 3.04Å; L558-L586 HydrophobicContact CD1-CD1 4.44Å; V566-L586 HydrophobicContact CB-CD1 4.13Å; V566-L586 HydrophobicContact CG2-CD1 3.71Å; R575-L586 WeakPolarHBondContact O-CD2 3.38Å; L586-V588 PolarHBondContact O-N 3.08Å
587	Y	98.8	Very high	94.6	Very high	5 Å²	5	39.6 Å²	39.6	2%	0.02	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	130.6	173.8	174.9	-132.3	0	0	0	111.1	F310 E337 A338 D553 F555 P589	F310-Y587 HydrophobicContact CZ-CD1 4.38Å; E337-Y587 HydrophobicContact CG-CD1 4.13Å; E337-Y587 HydrophobicContact CG-CG 4.22Å; A338-Y587 HydrophobicContact CB-CD2 3.97Å; A338-Y587 HydrophobicContact CB-CE2 3.6Å; D553-Y587 HydrophobicContact CB-CE2 3.96Å; D553-Y587 VanDerWaalsContact CG-OH 3.31Å; D553-Y587 PolarHBondContact OD2-OH 2.79Å; F555-Y587 HydrophobicContact CD1-CD2 4.25Å; F555-Y587 AromaticContact CE1-CD2 3.78Å; F555-Y587 HydrophobicContact CE1-CD2 3.78Å; F555-Y587 HydrophobicContact CE1-CG 4.36Å; F555-Y587 HydrophobicContact CZ-CD2 4.29Å; Y587-P589 HydrophobicContact CD1-CG 3.98Å; Y587-P589 HydrophobicContact CE1-CB 4.14Å; Y587-P589 HydrophobicContact CE1-CG 3.51Å
588	V	98.6	Very high	94.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	98	175	-169.2	0	0	0	0	108.3	T554 L556 I568 L573 L586 L593 F618	T554-V588 HydrophobicContact CG2-CB 3.74Å; T554-V588 HydrophobicContact CG2-CG1 4.26Å; T554-V588 HydrophobicContact CG2-CG2 4.32Å; T554-V588 PolarHBondContact N-O 2.84Å; T554-V588 WeakPolarHBondContact O-CA 3.27Å; T554-V588 PolarHBondContact O-N 3.14Å; L556-V588 HydrophobicContact CB-CG2 3.89Å; I568-V588 HydrophobicContact CG1-CG1 4.35Å; L573-V588 HydrophobicContact CD1-CG2 3.69Å; L586-V588 PolarHBondContact O-N 3.08Å; V588-L593 HydrophobicContact CG1-CD1 4.36Å; V588-L593 HydrophobicContact CG1-CD2 4.3Å; V588-L593 HydrophobicContact CG1-CG 4.28Å; V588-F618 HydrophobicContact CG2-CD1 4.49Å; V588-F618 HydrophobicContact CG2-CE1 4.22Å
589	P	97.1	Very high	94.2	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.			trans	-59.8	139.4	173.6	-17	21	0	0	0	112.3	P59 L62 F310 Y587 F591 L592	P59-P589 HydrophobicContact CG-CG 4.21Å; L62-P589 HydrophobicContact CD1-CB 4.46Å; F310-P589 HydrophobicContact CZ-CG 3.95Å; Y587-P589 HydrophobicContact CD1-CG 3.98Å; Y587-P589 HydrophobicContact CE1-CB 4.14Å; Y587-P589 HydrophobicContact CE1-CG 3.51Å; P589-F591 HydrophobicContact CB-CD1 3.6Å; P589-F591 HydrophobicContact CB-CE1 3.1Å; P589-F591 HydrophobicContact CB-CZ 3.67Å; P589-F591 HydrophobicContact CG-CE1 3.78Å; P589-F591 HydrophobicContact CG-CZ 3.95Å; P589-F591 PolarHBondContact O-N 2.87Å; P589-F591 VanDerWaalsContact O-N 3.1Å; P589-L592 HydrophobicContact CG-CD1 4.2Å; P589-L592 WeakPolarHBondContact O-CB 3.24Å; P589-L592 PolarHBondContact O-N 2.75Å
590	R	95.2	Very high	94.3	Very high	118 Å²	118	39.4 Å²	39.4	45%	0.445	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-55.1	-33.3	-176.6	68.8	-176.9	-178.3	163.8	-1.4	114.5	V551 G552 D553 L592 L593	V551-R590 HydrophobicContact CG1-CB 4.18Å; G552-R590 VanDerWaalsContact C-CB 3.49Å; D553-R590 VanDerWaalsContact OD1-CB 3.28Å; D553-R590 WeakPolarHBondContact OD1-CB 3.18Å; D553-R590 WeakPolarHBondContact OD1-CG 3.43Å; D553-R590 PolarHBondContact OD1-N 3Å; R590-L592 PolarHBondContact O-N 3.42Å; R590-L593 WeakPolarHBondContact O-CB 3.36Å; R590-L593 PolarHBondContact O-N 3.21Å
591	F	91.4	Very high	94.4	Very high	80 Å²	80	40.3 Å²	40.3	35%	0.351	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-73.2	-15.1	-176.5	69.9	-95.6	0	0	0	112.5	P59 V61 L62 P589	P59-F591 HydrophobicContact CB-CD1 4.46Å; P59-F591 HydrophobicContact CB-CE1 3.29Å; P59-F591 HydrophobicContact CB-CE2 4.02Å; P59-F591 HydrophobicContact CB-CZ 3.07Å; P59-F591 HydrophobicContact CG-CE1 3.49Å; P59-F591 VanDerWaalsContact CG-CE1 3.49Å; P59-F591 HydrophobicContact CG-CE2 4.47Å; P59-F591 HydrophobicContact CG-CZ 3.27Å; V61-F591 HydrophobicContact CG2-CB 4.09Å; V61-F591 HydrophobicContact CG2-CD1 3.35Å; V61-F591 HydrophobicContact CG2-CD2 4.12Å; V61-F591 HydrophobicContact CG2-CE1 3.82Å; V61-F591 HydrophobicContact CG2-CG 3.56Å; V61-F591 HydrophobicContact CG2-CZ 4.46Å; L62-F591 HydrophobicContact CD1-CD1 4.26Å; L62-F591 HydrophobicContact CD1-CE1 3.79Å; L62-F591 HydrophobicContact CG-CD1 4.48Å; L62-F591 HydrophobicContact CG-CE1 4.34Å; P589-F591 HydrophobicContact CB-CD1 3.6Å; P589-F591 HydrophobicContact CB-CE1 3.1Å; P589-F591 HydrophobicContact CB-CZ 3.67Å; P589-F591 HydrophobicContact CG-CE1 3.78Å; P589-F591 HydrophobicContact CG-CZ 3.95Å; P589-F591 PolarHBondContact O-N 2.87Å; P589-F591 VanDerWaalsContact O-N 3.1Å
592	L	94.4	Very high	94.4	Very high	18 Å²	18	40.3 Å²	40.3	9%	0.094	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-74.7	-14.5	170.3	-64.5	-177.7	0	0	0	111.9	N569 F571 L573 P589 R590	N569-L592 PolarHBondContact ND2-O 3.01Å; F571-L592 HydrophobicContact CB-CD1 4.36Å; F571-L592 HydrophobicContact CB-CD2 3.79Å; F571-L592 HydrophobicContact CD1-CD1 3.46Å; F571-L592 VanDerWaalsContact CD1-CD1 3.46Å; F571-L592 HydrophobicContact CD1-CD2 3.92Å; F571-L592 HydrophobicContact CD1-CG 4.38Å; F571-L592 HydrophobicContact CD2-CD2 3.71Å; F571-L592 HydrophobicContact CE1-CD1 3.87Å; F571-L592 HydrophobicContact CE1-CD2 4.45Å; F571-L592 HydrophobicContact CE2-CD2 4.26Å; F571-L592 HydrophobicContact CG-CD1 3.94Å; F571-L592 HydrophobicContact CG-CD2 3.52Å; F571-L592 HydrophobicContact CG-CG 4.41Å; L573-L592 HydrophobicContact CD2-CD1 3.58Å; P589-L592 HydrophobicContact CG-CD1 4.2Å; P589-L592 WeakPolarHBondContact O-CB 3.24Å; P589-L592 PolarHBondContact O-N 2.75Å; R590-L592 PolarHBondContact O-N 3.42Å
593	L	94.9	Very high	94.4	Very high	10 Å²	10	40.5 Å²	40.5	5%	0.052	20%	0.204	C	C	.	.	S	Bend	trans	-101.2	135.2	-178.1	-59.7	171.3	0	0	0	110.2	M370 I547 V551 T554 I568 V588 R590 N600	M370-L593 HydrophobicContact CE-CD1 3.33Å; I547-L593 HydrophobicContact CD1-CB 3.99Å; I547-L593 HydrophobicContact CD1-CD1 4.02Å; I547-L593 HydrophobicContact CD1-CD2 4.35Å; I547-L593 HydrophobicContact CD1-CG 4.36Å; V551-L593 HydrophobicContact CG1-CB 3.78Å; V551-L593 HydrophobicContact CG1-CD1 4.16Å; T554-L593 HydrophobicContact CG2-CD1 4.21Å; I568-L593 HydrophobicContact CG2-CD2 3.71Å; V588-L593 HydrophobicContact CG1-CD1 4.36Å; V588-L593 HydrophobicContact CG1-CD2 4.3Å; V588-L593 HydrophobicContact CG1-CG 4.28Å; R590-L593 WeakPolarHBondContact O-CB 3.36Å; R590-L593 PolarHBondContact O-N 3.21Å; L593-N600 VanDerWaalsContact CA-OD1 3.3Å; L593-N600 WeakPolarHBondContact CA-OD1 3.5Å
594	F	93.1	Very high	94.4	Very high	77 Å²	77	40.3 Å²	40.3	34%	0.338	20%	0.203	S	C	.	.			trans	-72.4	150.6	173.7	-61.1	-51.3	0	0	0	111.1	F522 N569 A598 L599 N600	F522-F594 HydrophobicContact CE1-CE2 4.46Å; F522-F594 HydrophobicContact CE1-CZ 4.45Å; F522-F594 AromaticContact CE2-CE2 3.83Å; F522-F594 HydrophobicContact CE2-CE2 3.83Å; F522-F594 AromaticContact CZ-CE2 3.5Å; F522-F594 HydrophobicContact CZ-CE2 3.5Å; F522-F594 AromaticContact CZ-CZ 3.9Å; F522-F594 HydrophobicContact CZ-CZ 3.9Å; N569-F594 HydrophobicContact CB-CE2 3.98Å; N569-F594 HydrophobicContact CB-CZ 4.17Å; N569-F594 VanDerWaalsContact CG-CE2 3.44Å; F594-A598 HydrophobicContact CB-CB 3.57Å; F594-L599 WeakPolarHBondContact CD2-O 3.14Å; F594-N600 PolarHBondContact N-OD1 2.96Å; F594-N600 PolarHBondContact O-ND2 2.89Å
595	P	86.9	Confident	94.4	Very high	91 Å²	91	39.1 Å²	39.1	59%	0.591	20%	0.197	S	C	*	.			trans	-66.9	176.9	-173.5	29	-37	0	0	0	113.2	G597 A598	P595-G597 PolarHBondContact O-N 3.03Å; P595-A598 VanDerWaalsContact O-CB 3.31Å; P595-A598 WeakPolarHBondContact O-CB 3.32Å; P595-A598 PolarHBondContact O-N 2.64Å
596	R	87	Confident	94.4	Very high	195 Å²	195	39 Å²	39	74%	0.736	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-46.8	127.6	-176.2	-171.9	-179.3	-174.1	-169	0.8	112.5	I547 L548 A598	I547-R596 WeakPolarHBondContact O-CA 3.41Å; L548-R596 WeakPolarHBondContact O-CD 3.45Å; L548-R596 PolarHBondContact O-NE 2.91Å; R596-A598 VanDerWaalsContact C-N 3.25Å; R596-A598 PolarHBondContact O-N 2.83Å
597	G	84.3	Confident	94.3	Very high	50 Å²	50	38.9 Å²	38.9	52%	0.515	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	-16.6	178.7	0	0	0	0	0	115.3	I547 P595	I547-G597 PolarHBondContact O-N 3.3Å; P595-G597 PolarHBondContact O-N 3.03Å
598	A	91.2	Very high	94.1	Very high	33 Å²	33	39.8 Å²	39.8	27%	0.273	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-76.3	148.3	173.7	0	0	0	0	0	111.5	F594 P595 R596 N600	F594-A598 HydrophobicContact CB-CB 3.57Å; P595-A598 VanDerWaalsContact O-CB 3.31Å; P595-A598 WeakPolarHBondContact O-CB 3.32Å; P595-A598 PolarHBondContact O-N 2.64Å; R596-A598 VanDerWaalsContact C-N 3.25Å; R596-A598 PolarHBondContact O-N 2.83Å; A598-N600 PolarHBondContact O-ND2 2.93Å
599	L	93.3	Very high	93.8	Very high	103 Å²	103	43 Å²	43	54%	0.539	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	118	-177.6	-69.9	-177.7	0	0	0	111.1	T544 P546 F594	T544-L599 HydrophobicContact CG2-CB 3.6Å; T544-L599 HydrophobicContact CG2-CD1 3.94Å; T544-L599 HydrophobicContact CG2-CD2 4.08Å; T544-L599 HydrophobicContact CG2-CG 4.07Å; P546-L599 HydrophobicContact CB-CD2 4.23Å; F594-L599 WeakPolarHBondContact CD2-O 3.14Å
600	N	95	Very high	93.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	147.1	171	-69.4	-85.6	0	0	0	109.8	T544 F545 N569 L593 F594 A598	T544-N600 CarbonylContact C-O 3.56Å; T544-N600 WeakPolarHBondContact CA-O 3.37Å; T544-N600 WeakPolarHBondContact CG2-O 3.2Å; F545-N600 HydrophobicContact CD1-CB 4.4Å; F545-N600 HydrophobicContact CD2-CB 4.15Å; F545-N600 HydrophobicContact CE1-CB 3.98Å; F545-N600 HydrophobicContact CE2-CB 3.72Å; F545-N600 HydrophobicContact CG-CB 4.49Å; F545-N600 HydrophobicContact CZ-CB 3.64Å; F545-N600 PolarHBondContact N-O 3.45Å; F545-N600 PolarHBondContact O-N 3Å; N569-N600 PolarHBondContact ND2-OD1 3.24Å; N569-N600 WeakPolarHBondContact OD1-CA 3.2Å; L593-N600 VanDerWaalsContact CA-OD1 3.3Å; L593-N600 WeakPolarHBondContact CA-OD1 3.5Å; F594-N600 PolarHBondContact N-OD1 2.96Å; F594-N600 PolarHBondContact O-ND2 2.89Å; A598-N600 PolarHBondContact O-ND2 2.93Å
601	K	95.3	Very high	93.4	Very high	33 Å²	33	39.9 Å²	39.9	14%	0.143	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	124.4	177	-175.1	172.1	179.3	168.9	0	110.5	W521 F522 K543 N569	W521-K601 PolarHBondContact O-NZ 3.32Å; F522-K601 HydrophobicContact CD2-CB 4.08Å; F522-K601 HydrophobicContact CD2-CD 4.35Å; F522-K601 HydrophobicContact CE2-CB 4.42Å; K543-K601 WeakPolarHBondContact O-CA 3.41Å; N569-K601 PolarHBondContact N-O 2.74Å; N569-K601 PolarHBondContact OD1-N 2.77Å
602	I	96.9	Very high	93.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	135.2	165.7	-179.3	169.4	0	0	0	109.3	L377 S542 K543 F545 L556 V566 W567 I568 V616	L377-I602 HydrophobicContact CD2-CG1 4.4Å; L377-I602 HydrophobicContact CD2-CG2 3.51Å; S542-I602 WeakPolarHBondContact CA-O 3.43Å; S542-I602 VanDerWaalsContact CB-O 3.27Å; S542-I602 WeakPolarHBondContact CB-O 3.49Å; K543-I602 HydrophobicContact CB-CG2 3.89Å; K543-I602 PolarHBondContact N-O 3.41Å; K543-I602 WeakPolarHBondContact O-CG2 3.38Å; K543-I602 PolarHBondContact O-N 2.78Å; F545-I602 HydrophobicContact CD1-CG2 4.24Å; F545-I602 HydrophobicContact CE1-CB 4.17Å; F545-I602 HydrophobicContact CE1-CG2 3.9Å; L556-I602 HydrophobicContact CD1-CD1 3.89Å; L556-I602 HydrophobicContact CD2-CD1 3.9Å; V566-I602 HydrophobicContact CG1-CD1 4.25Å; V566-I602 HydrophobicContact CG1-CG1 4.26Å; W567-I602 WeakPolarHBondContact O-CA 3.2Å; I568-I602 HydrophobicContact CD1-CB 3.6Å; I568-I602 HydrophobicContact CD1-CD1 3.9Å; I568-I602 HydrophobicContact CD1-CG1 3.66Å; I602-V616 HydrophobicContact CD1-CG2 4.07Å
603	T	97	Very high	92.9	Very high	4 Å²	4	50.1 Å²	50.1	3%	0.025	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	136.5	170.3	-55.5	0	0	0	0	108.8	V518 W521 F540 Y541 W567	V518-T603 HydrophobicContact CG1-CG2 4Å; V518-T603 HydrophobicContact CG2-CG2 4.18Å; W521-T603 HydrophobicContact CE3-CG2 4.31Å; W521-T603 HydrophobicContact CZ3-CG2 4.29Å; F540-T603 HydrophobicContact CD1-CG2 4.28Å; Y541-T603 CarbonylContact O-C 3.59Å; Y541-T603 WeakPolarHBondContact O-CA 3.3Å; W567-T603 PolarHBondContact N-O 2.9Å; W567-T603 PolarHBondContact O-N 2.96Å
604	L	97.1	Very high	92.9	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	134.9	-177	-174.7	76.4	0	0	0	108.6	L377 F540 Y541 L558 W561 V566 Y576	L377-L604 HydrophobicContact CD1-CB 4.31Å; L377-L604 HydrophobicContact CD1-CD2 3.89Å; F540-L604 CarbonylContact C-O 3.53Å; F540-L604 VanDerWaalsContact CA-O 3.28Å; F540-L604 WeakPolarHBondContact CA-O 3.48Å; Y541-L604 PolarHBondContact N-O 2.91Å; Y541-L604 PolarHBondContact O-N 2.92Å; L558-L604 HydrophobicContact CD2-CD1 3.6Å; L558-L604 HydrophobicContact CD2-CD2 4.42Å; W561-L604 HydrophobicContact CD2-CD2 3.59Å; W561-L604 HydrophobicContact CE3-CD2 3.31Å; W561-L604 HydrophobicContact CH2-CD2 3.39Å; W561-L604 HydrophobicContact CZ2-CD2 3.67Å; W561-L604 HydrophobicContact CZ3-CD2 3.2Å; W561-L604 HydrophobicContact CZ3-CG 4.48Å; V566-L604 HydrophobicContact CB-CD1 4.45Å; V566-L604 HydrophobicContact CG2-CD1 3.46Å; V566-L604 VanDerWaalsContact CG2-CD1 3.46Å; Y576-L604 HydrophobicContact CD1-CD1 4.08Å; Y576-L604 HydrophobicContact CE1-CD1 3.28Å; Y576-L604 HydrophobicContact CE1-CG 4.21Å
605	L	97.9	Very high	93	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	103.8	162.9	174.2	61.4	0	0	0	107.7	L383 F413 I514 F540 G564 Q565 W567 L607	L383-L605 HydrophobicContact CD1-CD1 4.01Å; L383-L605 HydrophobicContact CD1-CD2 4.15Å; F413-L605 HydrophobicContact CD2-CD2 4.49Å; F413-L605 HydrophobicContact CE2-CD2 4.14Å; F413-L605 HydrophobicContact CZ-CD2 4.31Å; I514-L605 HydrophobicContact CD1-CD2 3.69Å; F540-L605 HydrophobicContact CD1-CB 4.04Å; F540-L605 HydrophobicContact CD1-CD1 4.16Å; F540-L605 HydrophobicContact CD2-CD1 4.4Å; F540-L605 HydrophobicContact CE1-CB 3.82Å; F540-L605 HydrophobicContact CE1-CD1 3.98Å; F540-L605 HydrophobicContact CE1-CD2 4.33Å; F540-L605 HydrophobicContact CE1-CG 4.26Å; F540-L605 HydrophobicContact CE2-CD1 4.22Å; F540-L605 HydrophobicContact CG-CD1 4.38Å; F540-L605 HydrophobicContact CZ-CD1 4.01Å; F540-L605 HydrophobicContact CZ-CD2 4.34Å; G564-L605 CarbonylContact C-O 3.58Å; G564-L605 WeakPolarHBondContact CA-O 3.41Å; Q565-L605 PolarHBondContact N-O 2.56Å; Q565-L605 PolarHBondContact O-N 2.91Å; W567-L605 HydrophobicContact CH2-CB 4.16Å; W567-L605 HydrophobicContact CZ3-CB 3.81Å; L605-L607 HydrophobicContact CD1-CD2 4.32Å; L605-L607 HydrophobicContact CD2-CD2 3.96Å; L605-L607 HydrophobicContact CG-CD2 3.81Å
606	E	97.7	Very high	93.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	136.1	171.8	173.2	56	-114.4	0	0	108.9	P538 T539 W561 T562 K563 Y576 E608 N609 V610	P538-E606 CarbonylContact C-O 3.54Å; P538-E606 VanDerWaalsContact CA-O 3.24Å; P538-E606 WeakPolarHBondContact CA-O 3.4Å; T539-E606 PolarHBondContact N-O 2.75Å; T539-E606 PolarHBondContact O-N 3.38Å; W561-E606 HydrophobicContact CE3-CB 3.82Å; W561-E606 HydrophobicContact CE3-CG 3.84Å; W561-E606 HydrophobicContact CZ3-CB 3.73Å; W561-E606 HydrophobicContact CZ3-CG 4.05Å; T562-E606 PolarHBondContact N-OE2 2.73Å; T562-E606 PolarHBondContact OG1-OE1 3.15Å; K563-E606 PolarHBondContact N-OE1 2.57Å; K563-E606 VanDerWaalsContact N-OE1 3.15Å; K563-E606 PolarHBondContact N-OE2 3.28Å; Y576-E606 WeakPolarHBondContact OH-CA 3.38Å; Y576-E606 VanDerWaalsContact OH-CD 3.3Å; Y576-E606 PolarHBondContact OH-OE2 2.81Å; E606-E608 PolarHBondContact OE1-N 2.79Å; E606-N609 WeakPolarHBondContact CG-O 3.36Å; E606-N609 PolarHBondContact OE1-N 2.95Å; E606-V610 HydrophobicContact CB-CG2 4.44Å; E606-V610 HydrophobicContact CG-CG2 3.89Å
607	L	97.8	Very high	94	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.217	C	C	.	.			trans	-107.7	-22.7	-168.4	-60.7	168.2	0	0	0	113.4	F413 Y442 L474 G537 P538 K563 L605	F413-L607 HydrophobicContact CD1-CD2 4.45Å; F413-L607 HydrophobicContact CE1-CD1 3.65Å; F413-L607 HydrophobicContact CE1-CD2 3.82Å; F413-L607 HydrophobicContact CE1-CG 4.41Å; F413-L607 HydrophobicContact CZ-CD1 3.95Å; F413-L607 HydrophobicContact CZ-CD2 4.29Å; Y442-L607 HydrophobicContact CD1-CB 4.1Å; Y442-L607 WeakPolarHBondContact CD1-O 3.47Å; Y442-L607 HydrophobicContact CE1-CB 3.56Å; Y442-L607 HydrophobicContact CE2-CB 4.1Å; Y442-L607 HydrophobicContact CE2-CD1 3.95Å; Y442-L607 HydrophobicContact CE2-CD2 4.3Å; Y442-L607 HydrophobicContact CE2-CG 4.34Å; Y442-L607 VanDerWaalsContact OH-CD1 3.22Å; Y442-L607 WeakPolarHBondContact OH-CD1 3.48Å; L474-L607 HydrophobicContact CD2-CD2 4.09Å; G537-L607 CarbonylContact C-O 3.13Å; P538-L607 HydrophobicContact CB-CD2 4.35Å; K563-L607 WeakPolarHBondContact O-CB 3.01Å; K563-L607 PolarHBondContact O-N 3.06Å; L605-L607 HydrophobicContact CD1-CD2 4.32Å; L605-L607 HydrophobicContact CD2-CD2 3.96Å; L605-L607 HydrophobicContact CG-CD2 3.81Å
608	E	94.8	Very high	94.7	Very high	23 Å²	23	36.7 Å²	36.7	11%	0.107	19%	0.193	C	C	.	.	S	Bend	trans	-123	-75.1	-173.9	-53.5	174.7	-164.8	0	0	111.9	R440 Y442 V452 S536 G537 T562 E606	R440-E608 IonicContact CZ-OE1 2.73Å; R440-E608 VanDerWaalsContact CZ-OE1 3.23Å; R440-E608 IonicContact NE-OE1 3.81Å; R440-E608 PolarHBondContact NE-OE1 3.37Å; R440-E608 IonicContact NH2-OE1 2.74Å; R440-E608 PolarHBondContact NH2-OE1 3.27Å; R440-E608 IonicContact NH2-OE2 3.6Å; Y442-E608 HydrophobicContact CD1-CG 4.08Å; Y442-E608 HydrophobicContact CE1-CG 3.57Å; V452-E608 HydrophobicContact CG2-CG 4.14Å; S536-E608 CarbonylContact C-O 3.56Å; S536-E608 VanDerWaalsContact CA-O 3.28Å; S536-E608 WeakPolarHBondContact CA-O 3.47Å; S536-E608 WeakPolarHBondContact CB-O 3.32Å; G537-E608 PolarHBondContact N-O 2.96Å; T562-E608 WeakPolarHBondContact OG1-CB 3.33Å; E606-E608 PolarHBondContact OE1-N 2.79Å
609	N	92.3	Very high	95	Very high	69 Å²	69	36.5 Å²	36.5	37%	0.369	19%	0.187	S	C	.	.	B	Isolated β-bridge	trans	-134	141.7	-175.7	-61.5	-72.7	0	0	0	111.9	S536 T562 E606	S536-N609 WeakPolarHBondContact CB-OD1 3.37Å; S536-N609 PolarHBondContact OG-OD1 3.21Å; T562-N609 HydrophobicContact CG2-CB 3.85Å; T562-N609 PolarHBondContact OG1-N 2.8Å; T562-N609 PolarHBondContact OG1-O 2.89Å; T562-N609 VanDerWaalsContact OG1-O 3.12Å; E606-N609 WeakPolarHBondContact CG-O 3.36Å; E606-N609 PolarHBondContact OE1-N 2.95Å
610	V	91	Very high	95.1	Very high	30 Å²	30	34.7 Å²	34.7	18%	0.182	18%	0.178	C	C	.	.			trans	-99	137.5	178.3	-177	0	0	0	0	108.6	Y541 W561 E606 P614	Y541-V610 HydrophobicContact CE1-CG1 4.17Å; Y541-V610 HydrophobicContact CE2-CG1 4.19Å; Y541-V610 HydrophobicContact CE2-CG2 3.61Å; Y541-V610 WeakPolarHBondContact OH-CG2 3.5Å; W561-V610 HydrophobicContact CH2-CG1 4.07Å; W561-V610 HydrophobicContact CZ3-CB 4.5Å; W561-V610 HydrophobicContact CZ3-CG1 3.91Å; W561-V610 HydrophobicContact CZ3-CG2 4.26Å; E606-V610 HydrophobicContact CB-CG2 4.44Å; E606-V610 HydrophobicContact CG-CG2 3.89Å; V610-P614 HydrophobicContact CG1-CB 4.09Å
611	P	91.4	Very high	95.2	Very high	22 Å²	22	41.6 Å²	41.6	14%	0.143	21%	0.208	C	C	.	.			trans	-67.7	153.5	174.5	26.4	-32.2	0	0	0	111.2	W561 Q613	W561-P611 HydrophobicContact CD2-CG 4.02Å; W561-P611 HydrophobicContact CG-CG 4.11Å; W561-P611 HydrophobicContact CZ2-CG 4.48Å; P611-Q613 WeakPolarHBondContact CG-O 3.2Å; P611-Q613 PolarHBondContact O-N 2.58Å
612	L	87.5	Confident	95.3	Very high	182 Å²	182	42.7 Å²	42.7	95%	0.953	22%	0.219	S	C	*	.	S	Bend	trans	-51.7	-34.4	175.7	-68.3	173.7	0	0	0	112.5
613	Q	89.3	Confident	95.3	Very high	131 Å²	131	45.2 Å²	45.2	61%	0.612	23%	0.231	S	C	*	.	S	Bend	trans	-115.1	103.1	170.6	-63.7	-175.8	6.4	0	0	108.6	P611 Q615	P611-Q613 WeakPolarHBondContact CG-O 3.2Å; P611-Q613 PolarHBondContact O-N 2.58Å; Q613-Q615 HydrophobicContact CB-CG 4.33Å; Q613-Q615 PolarHBondContact O-N 3.31Å
614	P	93.8	Very high	95.3	Very high	28 Å²	28	45.6 Å²	45.6	18%	0.182	23%	0.234	C	C	.	.			trans	-73.2	71.2	-178.8	30.2	-35.4	0	0	0	111.1	T376 L377 Y541 W561 V610	T376-P614 HydrophobicContact CG2-CG 4.42Å; L377-P614 WeakPolarHBondContact CB-O 3.33Å; L377-P614 PolarHBondContact N-O 3.36Å; L377-P614 WeakPolarHBondContact O-CG 3.45Å; Y541-P614 HydrophobicContact CD1-CB 4.28Å; Y541-P614 HydrophobicContact CE1-CB 4.18Å; W561-P614 HydrophobicContact CH2-CB 3.72Å; W561-P614 HydrophobicContact CZ2-CB 3.55Å; V610-P614 HydrophobicContact CG1-CB 4.09Å
615	Q	95.8	Very high	95	Very high	47 Å²	47	51.6 Å²	51.6	22%	0.22	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	150.5	-176.9	-68.3	-176	0.8	0	0	112.4	P374 L375 T376 W561 Q613	P374-Q615 HydrophobicContact CB-CB 4.48Å; L375-Q615 CarbonylContact O-C 3.56Å; L375-Q615 VanDerWaalsContact O-CA 3.25Å; L375-Q615 WeakPolarHBondContact O-CA 3.41Å; T376-Q615 PolarHBondContact OG1-NE2 3.34Å; W561-Q615 PolarHBondContact NE1-O 2.89Å; Q613-Q615 HydrophobicContact CB-CG 4.33Å; Q613-Q615 PolarHBondContact O-N 3.31Å
616	V	97.5	Very high	94.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	157.6	168.7	-63.8	0	0	0	0	110.1	P374 L375 L377 L556 L558 I602	P374-V616 CarbonylContact C-O 3.58Å; P374-V616 WeakPolarHBondContact CA-O 3.22Å; L375-V616 HydrophobicContact CB-CG2 4.02Å; L375-V616 PolarHBondContact N-O 2.9Å; L375-V616 PolarHBondContact O-N 3.43Å; L377-V616 HydrophobicContact CD1-CG1 3.64Å; L377-V616 HydrophobicContact CD1-CG2 4.44Å; L377-V616 HydrophobicContact CG-CG1 4.46Å; L377-V616 HydrophobicContact CG-CG2 4.46Å; L556-V616 HydrophobicContact CD1-CB 3.83Å; L556-V616 HydrophobicContact CD1-CG1 4.38Å; L556-V616 HydrophobicContact CD1-CG2 4.08Å; L558-V616 HydrophobicContact CD2-CG1 4.17Å; L558-V616 HydrophobicContact CG-CG1 4.18Å; I602-V616 HydrophobicContact CD1-CG2 4.07Å
617	Q	97.6	Very high	93.1	Very high	63 Å²	63	56 Å²	56	29%	0.294	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.7	176.7	-66.7	170.5	-4.4	0	0	109.3	P374 L556 H557 L619	P374-Q617 HydrophobicContact CB-CG 4.09Å; L556-Q617 CarbonylContact C-O 3.6Å; L556-Q617 WeakPolarHBondContact CA-O 3.35Å; H557-Q617 HydrophobicContact CB-CB 4.33Å; H557-Q617 PolarHBondContact N-O 2.92Å; H557-Q617 PolarHBondContact O-N 3.41Å; Q617-L619 HydrophobicContact CB-CD2 4.27Å
618	F	97.8	Very high	91.3	Very high	3 Å²	3	57.9 Å²	57.9	1%	0.013	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	118.3	171.4	-69.7	-86.4	0	0	0	107	M371 L372 L375 F545 T554 F555 L556 I568 V588	M371-F618 CarbonylContact C-O 3.6Å; M371-F618 VanDerWaalsContact CA-O 3.22Å; M371-F618 WeakPolarHBondContact CA-O 3.49Å; L372-F618 HydrophobicContact CB-CB 3.86Å; L372-F618 HydrophobicContact CB-CD2 4.02Å; L372-F618 HydrophobicContact CB-CG 4.26Å; L372-F618 HydrophobicContact CD2-CD2 3.96Å; L372-F618 HydrophobicContact CD2-CE2 4.22Å; L372-F618 HydrophobicContact CG-CD2 4.16Å; L372-F618 PolarHBondContact N-O 3.41Å; L372-F618 WeakPolarHBondContact O-CB 3.27Å; L372-F618 PolarHBondContact O-N 3.28Å; L375-F618 HydrophobicContact CD1-CD2 4.29Å; L375-F618 HydrophobicContact CD1-CE2 3.71Å; F545-F618 HydrophobicContact CE1-CE2 4.35Å; F545-F618 HydrophobicContact CE1-CZ 4.32Å; F545-F618 HydrophobicContact CE2-CE2 4.3Å; F545-F618 AromaticContact CZ-CE2 3.86Å; F545-F618 HydrophobicContact CZ-CE2 3.86Å; F545-F618 AromaticContact CZ-CZ 3.76Å; F545-F618 HydrophobicContact CZ-CZ 3.76Å; T554-F618 HydrophobicContact CG2-CB 4.29Å; T554-F618 HydrophobicContact CG2-CD1 3.53Å; T554-F618 HydrophobicContact CG2-CE1 4.27Å; T554-F618 HydrophobicContact CG2-CG 4.3Å; T554-F618 WeakPolarHBondContact OG1-CB 3.45Å; F555-F618 CarbonylContact O-C 3.5Å; F555-F618 WeakPolarHBondContact O-CA 3.38Å; L556-F618 HydrophobicContact CB-CD1 4.4Å; L556-F618 HydrophobicContact CB-CE1 4.32Å; L556-F618 HydrophobicContact CD1-CD1 4.12Å; L556-F618 HydrophobicContact CD1-CE1 3.8Å; L556-F618 HydrophobicContact CD1-CE2 4.2Å; L556-F618 HydrophobicContact CD1-CZ 3.83Å; I568-F618 HydrophobicContact CD1-CE1 4.41Å; I568-F618 HydrophobicContact CD1-CZ 4.15Å; V588-F618 HydrophobicContact CG2-CD1 4.49Å; V588-F618 HydrophobicContact CG2-CE1 4.22Å
619	L	98.1	Very high	88.9	Confident	28 Å²	28	61.7 Å²	61.7	15%	0.147	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	158.2	-177.8	-52.7	-177.8	0	0	0	110.2	M370 T554 F555 H557 T585 Q617 I623	M370-L619 CarbonylContact O-C 3.57Å; T554-L619 PolarHBondContact OG1-O 2.76Å; F555-L619 HydrophobicContact CB-CB 4.45Å; F555-L619 PolarHBondContact N-O 2.85Å; F555-L619 PolarHBondContact O-N 3.37Å; H557-L619 HydrophobicContact CB-CD1 3.72Å; H557-L619 HydrophobicContact CB-CG 3.88Å; T585-L619 HydrophobicContact CG2-CD1 4.11Å; Q617-L619 HydrophobicContact CB-CD2 4.27Å; L619-I623 HydrophobicContact CD1-CD1 3.73Å; L619-I623 HydrophobicContact CD1-CG1 4.31Å
620	D	96.6	Very high	86.4	Confident	65 Å²	65	65.1 Å²	65.1	35%	0.348	35%	0.35	S	S	.	.	S	Bend	trans	-87	-8.4	174.4	62.5	-15.4	0	0	0	113.2	K369 M371	K369-D620 HydrophobicContact CB-CB 3.9Å; K369-D620 WeakPolarHBondContact CG-O 3.39Å; M371-D620 HydrophobicContact CG-CB 3.7Å; M371-D620 HydrophobicContact SD-CB 4.47Å
621	K	96.3	Very high	84.1	Confident	145 Å²	145	65.7 Å²	65.7	63%	0.63	35%	0.351	S	S	*	.	S	Bend	trans	-131.6	146.3	178	-64.3	-178.4	-174.4	178.5	0	111.6
622	P	97.6	Very high	81.5	Confident	57 Å²	57	71.9 Å²	71.9	37%	0.37	37%	0.372	S	S	.	.			trans	-75.8	153	175	32.2	-33.4	0	0	0	111.2	F555 T585 L624	F555-P622 HydrophobicContact CD1-CB 3.66Å; F555-P622 HydrophobicContact CD1-CG 4.48Å; F555-P622 HydrophobicContact CE1-CB 3.66Å; F555-P622 HydrophobicContact CE1-CG 4.06Å; F555-P622 HydrophobicContact CG-CB 4.14Å; F555-P622 HydrophobicContact CZ-CB 4.13Å; F555-P622 HydrophobicContact CZ-CG 4.07Å; T585-P622 WeakPolarHBondContact OG1-CA 3.2Å; P622-L624 HydrophobicContact CB-CD2 4.47Å; P622-L624 HydrophobicContact CB-CG 4.15Å
623	I	97.7	Very high	78.8	Confident	52 Å²	52	67.7 Å²	67.7	27%	0.267	35%	0.354	S	S	.	.			trans	-119	99.5	167.7	-54.4	172.1	0	0	0	106.9	Q584 T585 L619	Q584-I623 HydrophobicContact CB-CB 4.06Å; Q584-I623 HydrophobicContact CB-CG2 3.87Å; Q584-I623 HydrophobicContact CG-CG2 4.13Å; Q584-I623 PolarHBondContact N-O 3.45Å; T585-I623 HydrophobicContact CG2-CB 3.97Å; T585-I623 HydrophobicContact CG2-CD1 4.26Å; T585-I623 HydrophobicContact CG2-CG1 4.03Å; T585-I623 PolarHBondContact N-O 3.35Å; T585-I623 PolarHBondContact OG1-N 2.8Å; L619-I623 HydrophobicContact CD1-CD1 3.73Å; L619-I623 HydrophobicContact CD1-CG1 4.31Å
624	L	95.8	Very high	76.2	Confident	13 Å²	13	67.5 Å²	67.5	7%	0.068	35%	0.352	C	S	.	.			trans	-108.8	-8.6	-177.7	-59.3	-176.8	0	0	0	113.7	H277 D330 P582 Q583 P622	H277-L624 WeakPolarHBondContact CB-O 3.49Å; D330-L624 HydrophobicContact CB-CD1 3.58Å; P582-L624 CarbonylContact C-O 3.54Å; P582-L624 VanDerWaalsContact CB-O 3.23Å; P582-L624 WeakPolarHBondContact CB-O 3.48Å; P582-L624 CarbonylContact O-C 3.49Å; Q583-L624 HydrophobicContact CB-CD2 4.32Å; Q583-L624 HydrophobicContact CG-CD2 3.95Å; P622-L624 HydrophobicContact CB-CD2 4.47Å; P622-L624 HydrophobicContact CB-CG 4.15Å
625	N	90.8	Very high	73.7	Confident	126 Å²	126	69.6 Å²	69.6	67%	0.674	36%	0.362	S	S	*	.			trans	-117.1	32.8	-166.7	64.9	-13.8	0	0	0	114.1	H277	H277-N625 HydrophobicContact CB-CB 4.16Å
626	S	85.1	Confident	70.7	Confident	54 Å²	54	72.3 Å²	72.3	38%	0.378	38%	0.378	S	S	.	.			trans	-122.4	105.1	-177.3	-177.3	0	0	0	0	111.9	G581 P582 Q584	G581-S626 WeakPolarHBondContact CA-O 3.42Å; P582-S626 WeakPolarHBondContact CA-O 3.41Å; P582-S626 PolarHBondContact O-N 2.94Å; Q584-S626 PolarHBondContact NE2-O 2.74Å
627	T	71.4	Confident	67.5	Low	38 Å²	38	75.7 Å²	75.7	23%	0.233	40%	0.401	C	S	.	.			trans	-103.2	139	176.3	47.3	0	0	0	0	111.8	Q275 P582	Q275-T627 WeakPolarHBondContact O-CG2 3.1Å; P582-T627 HydrophobicContact CB-CG2 3.81Å
628	S	60.2	Low	64.5	Low	39 Å²	39	79.4 Å²	79.4	27%	0.273	42%	0.422	S	S	.	.			trans	-68.7	134.4	173.5	-175.6	0	0	0	0	111.7	K579 R580 L630 H631	K579-S628 WeakPolarHBondContact O-CB 3.49Å; R580-S628 PolarHBondContact O-N 3.38Å; S628-L630 VanDerWaalsContact C-N 3.25Å; S628-L630 PolarHBondContact O-N 2.84Å; S628-H631 PolarHBondContact O-N 2.94Å
629	T	43.1	Very low	61.4	Low	104 Å²	104	82 Å²	82	64%	0.638	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-65.1	-21.9	178.4	41.4	0	0	0	0	114	H631 R632	T629-H631 VanDerWaalsContact C-N 3.27Å; T629-H631 PolarHBondContact O-N 3.46Å; T629-R632 WeakPolarHBondContact O-CB 3.22Å; T629-R632 PolarHBondContact O-N 2.83Å
630	L	40.9	Very low	58.1	Low	140 Å²	140	83.3 Å²	83.3	73%	0.733	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-67.1	-21.1	-180	-91.7	150.9	0	0	0	114.1	S628 T633	S628-L630 VanDerWaalsContact C-N 3.25Å; S628-L630 PolarHBondContact O-N 2.84Å; L630-T633 PolarHBondContact O-OG1 3.25Å; L630-T633 VanDerWaalsContact O-OG1 3.08Å
631	H	41.1	Very low	55	Low	43 Å²	43	87.7 Å²	87.7	20%	0.199	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-86.2	-16.5	175.6	-112.2	-51.5	0	0	0	113.5	R580 S628 T629 T633 H634 I635	R580-H631 PolarHBondContact NE-NE2 3.05Å; R580-H631 PolarHBondContact NH1-NE2 2.8Å; R580-H631 PolarHBondContact NH2-NE2 3.01Å; S628-H631 PolarHBondContact O-N 2.94Å; T629-H631 VanDerWaalsContact C-N 3.27Å; T629-H631 PolarHBondContact O-N 3.46Å; H631-T633 VanDerWaalsContact C-N 3.28Å; H631-T633 PolarHBondContact O-N 3.45Å; H631-H634 PolarHBondContact O-N 3.12Å; H631-I635 WeakPolarHBondContact O-CD1 3.48Å; H631-I635 VanDerWaalsContact O-CG1 3.3Å; H631-I635 WeakPolarHBondContact O-CG1 3.44Å; H631-I635 PolarHBondContact O-N 2.93Å
632	R	37.3	Very low	51.8	Low	152 Å²	152	86.7 Å²	86.7	57%	0.574	49%	0.485	S	S	*	.	H	α-helix	trans	-62.2	-36.4	174.8	-81.8	-175.2	176.5	178.4	-1	112	T629 N636	T629-R632 WeakPolarHBondContact O-CB 3.22Å; T629-R632 PolarHBondContact O-N 2.83Å; R632-N636 WeakPolarHBondContact O-CB 3.28Å; R632-N636 PolarHBondContact O-N 3.33Å; R632-N636 VanDerWaalsContact O-N 3.14Å; R632-N636 PolarHBondContact O-ND2 2.88Å; R632-N636 PolarHBondContact O-OD1 2.9Å
633	T	30.3	Very low	48.4	Very low	94 Å²	94	91.4 Å²	91.4	58%	0.577	51%	0.506	S	S	*	.	H	α-helix	trans	-74	-31.2	-176.5	38.1	0	0	0	0	113.6	L630 H631 S637	L630-T633 PolarHBondContact O-OG1 3.25Å; L630-T633 VanDerWaalsContact O-OG1 3.08Å; H631-T633 VanDerWaalsContact C-N 3.28Å; H631-T633 PolarHBondContact O-N 3.45Å; T633-S637 PolarHBondContact O-N 2.77Å; T633-S637 PolarHBondContact O-OG 2.91Å
634	H	35.5	Very low	44.9	Very low	126 Å²	126	94.1 Å²	94.1	58%	0.583	53%	0.53	S	S	*	.	H	α-helix	trans	-81.3	-29.8	176.4	-110.9	-65.1	0	0	0	113.4	H631 S637	H631-H634 PolarHBondContact O-N 3.12Å; H634-S637 PolarHBondContact O-OG 2.88Å
635	I	41.6	Very low	41.5	Very low	73 Å²	73	97.8 Å²	97.8	37%	0.374	56%	0.562	S	S	.	*	H	α-helix	trans	-69.5	-40.7	173.3	-65.9	168	0	0	0	109.9	H631 S637	H631-I635 WeakPolarHBondContact O-CD1 3.48Å; H631-I635 VanDerWaalsContact O-CG1 3.3Å; H631-I635 WeakPolarHBondContact O-CG1 3.44Å; H631-I635 PolarHBondContact O-N 2.93Å; I635-S637 PolarHBondContact O-N 2.83Å
636	N	32.4	Very low	38.6	Very low	104 Å²	104	97.4 Å²	97.4	56%	0.556	57%	0.569	S	S	*	*	H	α-helix	trans	-74.1	-22.5	179.4	-69.3	-5	0	0	0	114.1	R632 S639	R632-N636 WeakPolarHBondContact O-CB 3.28Å; R632-N636 PolarHBondContact O-N 3.33Å; R632-N636 VanDerWaalsContact O-N 3.14Å; R632-N636 PolarHBondContact O-ND2 2.88Å; R632-N636 PolarHBondContact O-OD1 2.9Å; N636-S639 WeakPolarHBondContact CA-OG 3.17Å; N636-S639 PolarHBondContact O-OG 3.18Å
637	S	30.1	Very low	35.7	Very low	71 Å²	71	102.7 Å²	102.7	50%	0.497	59%	0.588	S	S	.	*	H	α-helix	trans	-80.2	-23.1	-179.8	64.5	0	0	0	0	113.6	T633 H634 I635	T633-S637 PolarHBondContact O-N 2.77Å; T633-S637 PolarHBondContact O-OG 2.91Å; H634-S637 PolarHBondContact O-OG 2.88Å; I635-S637 PolarHBondContact O-N 2.83Å
638	L	34.5	Very low	33.4	Very low	141 Å²	141	106.1 Å²	106.1	74%	0.738	61%	0.611	S	S	*	*	H	α-helix	trans	-83.7	-18.3	172.4	-75.1	162.9	0	0	0	112.9
639	S	33.2	Very low	31.9	Very low	56 Å²	56	111.1 Å²	111.1	39%	0.392	63%	0.632	S	S	.	*	S	Bend	trans	-91.5	-4.6	176.2	63.6	0	0	0	0	113.7	N636 D641 T642	N636-S639 WeakPolarHBondContact CA-OG 3.17Å; N636-S639 PolarHBondContact O-OG 3.18Å; S639-D641 VanDerWaalsContact C-N 3.28Å; S639-D641 PolarHBondContact O-N 3.12Å; S639-T642 PolarHBondContact O-N 2.82Å
640	A	28.6	Very low	31.2	Very low	56 Å²	56	114 Å²	114	46%	0.463	64%	0.638	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.8	-15	-173.3	0	0	0	0	0	114.1	T642	A640-T642 VanDerWaalsContact C-N 3.33Å
641	D	31.1	Very low	30.7	Very low	157 Å²	157	113.9 Å²	113.9	84%	0.84	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	3.2	177.7	-75.4	-20.6	0	0	0	114.1	S639	S639-D641 VanDerWaalsContact C-N 3.28Å; S639-D641 PolarHBondContact O-N 3.12Å
642	T	29.8	Very low	30.4	Very low	125 Å²	125	113.5 Å²	113.5	77%	0.767	64%	0.639	S	S	*	*			trans	-145.9	82.8	170.7	42.1	0	0	0	0	110.3	S639 A640	S639-T642 PolarHBondContact O-N 2.82Å; A640-T642 VanDerWaalsContact C-N 3.33Å
643	L	26.9	Very low	30	Very low	155 Å²	155	108.1 Å²	108.1	81%	0.812	63%	0.632	S	S	*	*			trans	-107.2	105.3	169.7	-86.5	163.5	0	0	0	110.5
644	S	23	Very low	30.3	Very low	110 Å²	110	106.2 Å²	106.2	77%	0.769	62%	0.616	S	S	*	*			trans	-145.3	124.5	145	91.6	0	0	0	0	110.4
645	A	24.7	Very low	30	Very low	89 Å²	89	105.3 Å²	105.3	74%	0.736	62%	0.618	S	S	*	*	S	Bend	trans	62.3	140.5	166.6	0	0	0	0	0	118.2	E647	A645-E647 PolarHBondContact O-N 2.79Å
646	S	29.8	Very low	29.4	Very low	118 Å²	118	106.9 Å²	106.9	83%	0.825	63%	0.631	S	S	*	*			trans	-45.3	108.6	172.7	50.7	0	0	0	0	112	P648	S646-P648 WeakPolarHBondContact O-CD 3.42Å
647	E	23.8	Very low	29.3	Very low	166 Å²	166	107.1 Å²	107.1	78%	0.776	64%	0.635	S	S	*	*			trans	-66.9	125.3	174.5	-79.7	179.3	160.2	0	0	109.8	A645	A645-E647 PolarHBondContact O-N 2.79Å
648	P	24.6	Very low	29.2	Very low	110 Å²	110	109.2 Å²	109.2	71%	0.714	64%	0.643	S	S	*	*			trans	-61.8	137.1	163.5	27	-29.9	0	0	0	108.2	S646 E650	S646-P648 WeakPolarHBondContact O-CD 3.42Å; P648-E650 PolarHBondContact O-N 3.15Å
649	M	28.3	Very low	28.9	Very low	144 Å²	144	107.3 Å²	107.3	71%	0.709	64%	0.637	S	S	*	*			trans	-40.6	109.5	169.6	-170.3	175.8	71.3	0	0	108.9	A241 L651	A241-M649 HydrophobicContact CB-CE 4.05Å; M649-L651 PolarHBondContact O-N 3.18Å
650	E	28.8	Very low	28.6	Very low	163 Å²	163	110.7 Å²	110.7	76%	0.762	65%	0.653	S	S	*	*			trans	-49.6	134.4	-176.3	-75.6	-176.7	141.5	0	0	109.7	P648	P648-E650 PolarHBondContact O-N 3.15Å
651	L	30.5	Very low	28.6	Very low	139 Å²	139	114.6 Å²	114.6	73%	0.728	67%	0.667	S	S	*	*	S	Bend	trans	-39.7	139.2	161.6	-74	150.4	0	0	0	108.6	M649 G653	M649-L651 PolarHBondContact O-N 3.18Å; L651-G653 PolarHBondContact O-N 2.89Å
652	S	33.4	Very low	28.4	Very low	34 Å²	34	111.3 Å²	111.3	24%	0.238	65%	0.654	C	S	.	*			trans	-30.8	95.8	177.2	42.2	0	0	0	0	112.3	D242 H654	D242-S652 WeakPolarHBondContact OD1-CB 3.47Å; D242-S652 PolarHBondContact OD1-N 3.03Å; D242-S652 PolarHBondContact OD1-OG 3.42Å; D242-S652 WeakPolarHBondContact OD2-CB 3.25Å; D242-S652 PolarHBondContact OD2-OG 3.11Å; D242-S652 VanDerWaalsContact OD2-OG 3.09Å; S652-H654 PolarHBondContact O-N 2.78Å
653	G	28.6	Very low	28.3	Very low	40 Å²	40	110.2 Å²	110.2	41%	0.412	64%	0.644	S	S	.	*			trans	-77.8	80	178.9	0	0	0	0	0	109.4	L651	L651-G653 PolarHBondContact O-N 2.89Å
654	H	37	Very low	28.4	Very low	54 Å²	54	106.1 Å²	106.1	25%	0.25	63%	0.629	C	S	.	*			trans	-109.2	0	151	-76.7	-87.6	0	0	0	109	E186 S189 Y266 W269 F483 S652	E186-H654 IonicContact OE1-CE1 2.94Å; E186-H654 IonicContact OE1-CG 3.79Å; E186-H654 IonicContact OE1-ND1 3.48Å; E186-H654 PolarHBondContact OE1-ND1 2.77Å; E186-H654 IonicContact OE2-CE1 2.69Å; E186-H654 IonicContact OE2-ND1 2.69Å; E186-H654 PolarHBondContact OE2-ND1 3.06Å; S189-H654 WeakPolarHBondContact CB-OXT 3.39Å; S189-H654 PolarHBondContact OG-OXT 3.17Å; Y266-H654 AromaticContact CZ-CD2 3.85Å; Y266-H654 AromaticContact CZ-NE2 3.5Å; Y266-H654 PolarHBondContact OH-CD2 3.39Å; Y266-H654 PolarHBondContact OH-NE2 3.07Å; W269-H654 AromaticContact CH2-CD2 3.85Å; W269-H654 AromaticContact CH2-NE2 3.3Å; W269-H654 VanDerWaalsContact CH2-NE2 3.3Å; W269-H654 WeakPolarHBondContact CH2-NE2 3.36Å; W269-H654 AromaticContact CZ3-NE2 3.97Å; F483-H654 WeakPolarHBondContact CZ-OXT 3.45Å; S652-H654 PolarHBondContact O-N 2.78Å

Retrieved 654 of 654 residues in 455.5 ms (Link to these results)

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