A0A077Z5F7_TRITR Loading...

LRR 7 and LRR 8 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z5F7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 579 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	42.7	Very low	38.4	Very low	187 Å²	187	126 Å²	126	92%	0.921	66%	0.66	S	S	*	*				0	-47.1	0	-148	165.1	73.7	0	0	112.6	L3 L4	M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 2.9Å; M1-L4 PolarHBondContact O-N 2.69Å
2	W	39.6	Very low	38.5	Very low	215 Å²	215	125.5 Å²	125.5	81%	0.814	65%	0.649	S	S	*	*	H	α-helix	trans	-62.2	-31.8	177.2	-80.5	71	0	0	0	115	L4 I5 L6	W2-L4 PolarHBondContact O-N 3.09Å; W2-I5 PolarHBondContact O-N 3.44Å; W2-L6 PolarHBondContact O-N 3.23Å
3	L	37.1	Very low	38.6	Very low	134 Å²	134	126.5 Å²	126.5	70%	0.702	66%	0.656	S	S	*	*	H	α-helix	trans	-70.4	-29.7	179.6	-136.1	83.5	0	0	0	113.6	M1 I7	M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 2.9Å; L3-I7 WeakPolarHBondContact O-CG1 3.22Å; L3-I7 PolarHBondContact O-N 3.38Å
4	L	43.2	Very low	38.6	Very low	132 Å²	132	130.9 Å²	130.9	69%	0.691	67%	0.672	S	S	*	*	H	α-helix	trans	-76	-25.5	177.3	-82.6	157.3	0	0	0	112.2	M1 W2 A8	M1-L4 PolarHBondContact O-N 2.69Å; W2-L4 PolarHBondContact O-N 3.09Å; L4-A8 WeakPolarHBondContact O-CB 3.47Å; L4-A8 PolarHBondContact O-N 2.91Å
5	I	46.1	Very low	38.7	Very low	109 Å²	109	131.6 Å²	131.6	56%	0.559	68%	0.676	S	S	*	*	H	α-helix	trans	-73.8	-33.9	176.7	-62.6	170.8	0	0	0	110.7	W2 A9	W2-I5 PolarHBondContact O-N 3.44Å; I5-A9 PolarHBondContact O-N 3.14Å
6	L	36.9	Very low	39	Very low	108 Å²	108	127.6 Å²	127.6	57%	0.565	66%	0.656	S	S	*	*	H	α-helix	trans	-73.3	-38.4	175.9	-91.1	152	0	0	0	112.7	W2 A8 A9 V10	W2-L6 PolarHBondContact O-N 3.23Å; L6-A8 VanDerWaalsContact C-N 3.29Å; L6-A8 PolarHBondContact O-N 3Å; L6-A9 PolarHBondContact O-N 3.42Å; L6-A9 VanDerWaalsContact O-N 3.11Å; L6-V10 WeakPolarHBondContact O-CG2 3.2Å; L6-V10 PolarHBondContact O-N 3.17Å
7	I	35.8	Very low	39.5	Very low	99 Å²	99	124.9 Å²	124.9	51%	0.508	66%	0.658	S	S	.	*	H	α-helix	trans	-68.6	-32.7	176.5	-63.5	169.7	0	0	0	110.7	L3 A9	L3-I7 WeakPolarHBondContact O-CG1 3.22Å; L3-I7 PolarHBondContact O-N 3.38Å; I7-A9 VanDerWaalsContact C-N 3.28Å; I7-A9 PolarHBondContact O-N 3.12Å
8	A	37.5	Very low	40.6	Very low	61 Å²	61	126.1 Å²	126.1	50%	0.504	67%	0.671	S	S	.	*	H	α-helix	trans	-72	-17.2	172.1	0	0	0	0	0	114	L4 L6 F12	L4-A8 WeakPolarHBondContact O-CB 3.47Å; L4-A8 PolarHBondContact O-N 2.91Å; L6-A8 VanDerWaalsContact C-N 3.29Å; L6-A8 PolarHBondContact O-N 3Å; A8-F12 VanDerWaalsContact O-CD2 3.26Å; A8-F12 WeakPolarHBondContact O-CD2 3.39Å
9	A	36.7	Very low	42.2	Very low	67 Å²	67	121 Å²	121	55%	0.554	65%	0.651	S	S	*	*	H	α-helix	trans	-90.9	-25.8	178.9	0	0	0	0	0	113.5	I5 L6 I7	I5-A9 PolarHBondContact O-N 3.14Å; L6-A9 PolarHBondContact O-N 3.42Å; L6-A9 VanDerWaalsContact O-N 3.11Å; I7-A9 VanDerWaalsContact C-N 3.28Å; I7-A9 PolarHBondContact O-N 3.12Å
10	V	34.5	Very low	44	Very low	115 Å²	115	118.3 Å²	118.3	70%	0.697	64%	0.64	S	S	*	*	H	α-helix	trans	-93.3	-14.3	-171.2	176.4	0	0	0	0	113.3	L6	L6-V10 WeakPolarHBondContact O-CG2 3.2Å; L6-V10 PolarHBondContact O-N 3.17Å
11	Q	32	Very low	46.1	Very low	159 Å²	159	112.8 Å²	112.8	74%	0.743	61%	0.611	S	S	*	*	S	Bend	trans	-109.1	15.5	-173.3	-137.3	167.5	-5.9	0	0	115.1
12	F	40.3	Very low	48.1	Very low	120 Å²	120	105.4 Å²	105.4	53%	0.526	58%	0.578	S	S	.	*			trans	-111.9	-2.5	-177.9	-85.5	-81.9	0	0	0	115.9	A8 E14 L15	A8-F12 VanDerWaalsContact O-CD2 3.26Å; A8-F12 WeakPolarHBondContact O-CD2 3.39Å; F12-E14 PolarHBondContact O-N 3.38Å; F12-L15 HydrophobicContact CD1-CD1 4.45Å; F12-L15 HydrophobicContact CE1-CD1 4.47Å
13	D	39.4	Very low	50.3	Low	139 Å²	139	99.3 Å²	99.3	74%	0.743	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-13.9	177.5	-77.9	-17.3	0	0	0	113.7
14	E	38.2	Very low	52.7	Low	188 Å²	188	93.5 Å²	93.5	88%	0.879	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-6.9	-176.9	-82	-171.1	156.5	0	0	115.7	F12	F12-E14 PolarHBondContact O-N 3.38Å
15	L	40.2	Very low	54.8	Low	141 Å²	141	89.3 Å²	89.3	74%	0.738	51%	0.513	S	S	*	.	S	Bend	trans	-92.1	0.3	177.6	-87.2	160.1	0	0	0	114.3	F12 A17	F12-L15 HydrophobicContact CD1-CD1 4.45Å; F12-L15 HydrophobicContact CE1-CD1 4.47Å; L15-A17 VanDerWaalsContact C-N 3.27Å; L15-A17 PolarHBondContact O-N 2.76Å
16	D	43.3	Very low	56.7	Low	67 Å²	67	91 Å²	91	36%	0.358	52%	0.517	S	S	.	.	G	3₁₀ helix	trans	-79	0.3	-177.9	-93.9	-16.9	0	0	0	114.8	V18 S22	D16-V18 PolarHBondContact O-N 2.76Å; D16-S22 VanDerWaalsContact O-CB 3.3Å; D16-S22 WeakPolarHBondContact O-CB 3.49Å
17	A	48.4	Very low	59	Low	82 Å²	82	88.5 Å²	88.5	68%	0.678	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-73.3	-27.7	-166.1	0	0	0	0	0	115.9	L15	L15-A17 VanDerWaalsContact C-N 3.27Å; L15-A17 PolarHBondContact O-N 2.76Å
18	V	58.2	Low	61.5	Low	147 Å²	147	84.4 Å²	84.4	89%	0.891	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-147.2	71.3	-179.1	-166.9	0	0	0	0	111.2	D16	D16-V18 PolarHBondContact O-N 2.76Å
19	G	72.3	Confident	63.4	Low	29 Å²	29	87.6 Å²	87.6	30%	0.299	49%	0.486	S	S	.	.	S	Bend	trans	-148.6	167.6	176	0	0	0	0	0	112.9	C21 S22	G19-C21 PolarHBondContact O-N 3.34Å; G19-C21 VanDerWaalsContact O-N 3.09Å; G19-S22 WeakPolarHBondContact O-CB 3.43Å; G19-S22 PolarHBondContact O-N 2.85Å; G19-S22 PolarHBondContact O-OG 2.92Å
20	P	77.5	Confident	64.8	Low	66 Å²	66	88.7 Å²	88.7	43%	0.429	51%	0.505	S	S	.	.	H	α-helix	trans	-57.6	-24.7	179	23.4	-33.2	0	0	0	113	I24 P67	P20-I24 WeakPolarHBondContact O-CG1 3.4Å; P20-P67 HydrophobicContact CB-CG 4.06Å; P20-P67 HydrophobicContact CG-CB 4.28Å; P20-P67 HydrophobicContact CG-CG 4.12Å
21	C	87.3	Confident	66.2	Low	4 Å²	4	87.5 Å²	87.5	3%	0.027	49%	0.49	C	S	.	.	H	α-helix	trans	-71.6	-30.7	175.8	-72.7	0	0	0	0	114.5	G19 V23 I24 T25 C37 F38	G19-C21 PolarHBondContact O-N 3.34Å; G19-C21 VanDerWaalsContact O-N 3.09Å; C21-V23 PolarHBondContact O-N 3.19Å; C21-V23 VanDerWaalsContact O-N 3.14Å; C21-I24 PolarHBondContact O-N 3.48Å; C21-T25 WeakPolarHBondContact O-CB 3.3Å; C21-T25 PolarHBondContact O-N 3.49Å; C21-T25 PolarHBondContact O-OG1 3.1Å; C21-C37 WeakPolarHBondContact CA-SG 3.35Å; C21-C37 HydrophobicContact CB-CB 3.66Å; C21-C37 WeakPolarHBondContact CB-SG 3.36Å; C21-C37 WeakPolarHBondContact SG-CB 3.45Å; C21-C37 CovalentContact SG-SG 2.05Å; C21-C37 PolarHBondContact SG-SG 2.94Å; C21-F38 PolarHBondContact SG-N 3.19Å; C21-F38 PolarHBondContact SG-O 3.37Å; C21-F38 VanDerWaalsContact SG-O 3.41Å
22	S	85.5	Confident	67.7	Low	32 Å²	32	86.2 Å²	86.2	22%	0.224	48%	0.484	C	S	.	.	H	α-helix	trans	-55.5	-36.5	178.4	66.6	0	0	0	0	113	D16 G19 K26	D16-S22 VanDerWaalsContact O-CB 3.3Å; D16-S22 WeakPolarHBondContact O-CB 3.49Å; G19-S22 WeakPolarHBondContact O-CB 3.43Å; G19-S22 PolarHBondContact O-N 2.85Å; G19-S22 PolarHBondContact O-OG 2.92Å; S22-K26 WeakPolarHBondContact O-CG 3.48Å
23	V	85.8	Confident	69.5	Low	87 Å²	87	86.8 Å²	86.8	53%	0.527	49%	0.488	S	S	.	.	H	α-helix	trans	-77	-41.7	176.8	-179.3	0	0	0	0	110.9	C21 L27	C21-V23 PolarHBondContact O-N 3.19Å; C21-V23 VanDerWaalsContact O-N 3.14Å; V23-L27 HydrophobicContact CG1-CD1 4.41Å; V23-L27 WeakPolarHBondContact O-CG 3.5Å; V23-L27 PolarHBondContact O-N 3.25Å
24	I	87.8	Confident	71.9	Confident	12 Å²	12	80.4 Å²	80.4	6%	0.062	46%	0.455	C	S	.	.	H	α-helix	trans	-67.7	-44.5	-178.6	-67.8	170.7	0	0	0	111.3	P20 C21 K26 L27 F28 C37 P67 I69 L86	P20-I24 WeakPolarHBondContact O-CG1 3.4Å; C21-I24 PolarHBondContact O-N 3.48Å; I24-K26 VanDerWaalsContact C-N 3.33Å; I24-K26 PolarHBondContact O-N 3.12Å; I24-L27 WeakPolarHBondContact O-CB 3.47Å; I24-L27 PolarHBondContact O-N 3.26Å; I24-F28 HydrophobicContact CG2-CD2 3.91Å; I24-F28 HydrophobicContact CG2-CE1 4.2Å; I24-F28 HydrophobicContact CG2-CE2 3.39Å; I24-F28 HydrophobicContact CG2-CZ 3.57Å; I24-F28 WeakPolarHBondContact O-CG 3.34Å; I24-F28 PolarHBondContact O-N 3.43Å; I24-F28 VanDerWaalsContact O-N 3.12Å; I24-C37 HydrophobicContact CB-CB 4.04Å; I24-C37 HydrophobicContact CG2-CB 3.66Å; I24-P67 HydrophobicContact CD1-CG 3.92Å; I24-I69 HydrophobicContact CD1-CD1 4.46Å; I24-I69 HydrophobicContact CG2-CD1 4.2Å; I24-L86 HydrophobicContact CB-CD2 4.37Å; I24-L86 HydrophobicContact CG1-CD2 3.99Å; I24-L86 HydrophobicContact CG2-CD2 3.83Å
25	T	86.6	Confident	74.6	Confident	44 Å²	44	71.6 Å²	71.6	27%	0.27	41%	0.414	S	S	.	.	H	α-helix	trans	-59.1	-44.8	178.7	-58.3	0	0	0	0	110.6	C21 L27 F28 E29	C21-T25 WeakPolarHBondContact O-CB 3.3Å; C21-T25 PolarHBondContact O-N 3.49Å; C21-T25 PolarHBondContact O-OG1 3.1Å; T25-L27 VanDerWaalsContact C-N 3.27Å; T25-L27 PolarHBondContact O-N 3.02Å; T25-F28 CarbonylContact O-C 3.44Å; T25-F28 WeakPolarHBondContact O-CA 3.35Å; T25-F28 WeakPolarHBondContact O-CB 3.49Å; T25-F28 PolarHBondContact O-N 2.91Å; T25-E29 PolarHBondContact O-N 3.01Å
26	K	86.4	Confident	77.2	Confident	145 Å²	145	71.9 Å²	71.9	63%	0.63	41%	0.405	S	S	*	.	H	α-helix	trans	-60.8	-30.3	173.4	-72.8	179.2	-177.8	-178.3	0	114.3	S22 I24 F28	S22-K26 WeakPolarHBondContact O-CG 3.48Å; I24-K26 VanDerWaalsContact C-N 3.33Å; I24-K26 PolarHBondContact O-N 3.12Å; K26-F28 VanDerWaalsContact C-N 3.31Å
27	L	85.9	Confident	79.5	Confident	55 Å²	55	69.2 Å²	69.2	29%	0.288	39%	0.392	S	S	.	.	H	α-helix	trans	-76.5	-21.9	176	-70.2	170.3	0	0	0	112.9	V23 I24 T25 K31 L86 P87	V23-L27 HydrophobicContact CG1-CD1 4.41Å; V23-L27 WeakPolarHBondContact O-CG 3.5Å; V23-L27 PolarHBondContact O-N 3.25Å; I24-L27 WeakPolarHBondContact O-CB 3.47Å; I24-L27 PolarHBondContact O-N 3.26Å; T25-L27 VanDerWaalsContact C-N 3.27Å; T25-L27 PolarHBondContact O-N 3.02Å; L27-K31 PolarHBondContact O-NZ 2.61Å; L27-K31 VanDerWaalsContact O-NZ 3.13Å; L27-L86 HydrophobicContact CD1-CD2 4.38Å; L27-P87 HydrophobicContact CD1-CG 4.37Å
28	F	87.2	Confident	81.6	Confident	12 Å²	12	68.2 Å²	68.2	5%	0.053	37%	0.372	C	S	.	.	H	α-helix	trans	-88.3	-27.8	175	-64	-15.7	0	0	0	112.3	I24 T25 K26 G30 K31 C35 I69 A82 L86	I24-F28 HydrophobicContact CG2-CD2 3.91Å; I24-F28 HydrophobicContact CG2-CE1 4.2Å; I24-F28 HydrophobicContact CG2-CE2 3.39Å; I24-F28 HydrophobicContact CG2-CZ 3.57Å; I24-F28 WeakPolarHBondContact O-CG 3.34Å; I24-F28 PolarHBondContact O-N 3.43Å; I24-F28 VanDerWaalsContact O-N 3.12Å; T25-F28 CarbonylContact O-C 3.44Å; T25-F28 WeakPolarHBondContact O-CA 3.35Å; T25-F28 WeakPolarHBondContact O-CB 3.49Å; T25-F28 PolarHBondContact O-N 2.91Å; K26-F28 VanDerWaalsContact C-N 3.31Å; F28-G30 PolarHBondContact O-N 3.13Å; F28-K31 PolarHBondContact O-N 2.8Å; F28-K31 VanDerWaalsContact O-N 3.14Å; F28-K31 VanDerWaalsContact O-O 3.06Å; F28-C35 HydrophobicContact CD2-CB 4.35Å; F28-C35 WeakPolarHBondContact CD2-O 3.28Å; F28-C35 HydrophobicContact CE2-CB 3.85Å; F28-C35 HydrophobicContact CZ-CB 4.09Å; F28-I69 HydrophobicContact CE2-CD1 4.45Å; F28-I69 HydrophobicContact CE2-CG2 4.31Å; F28-I69 HydrophobicContact CZ-CD1 4.07Å; F28-I69 HydrophobicContact CZ-CG2 4.39Å; F28-A82 HydrophobicContact CD1-CB 4.26Å; F28-A82 HydrophobicContact CE1-CB 4.12Å; F28-A82 WeakPolarHBondContact CE1-O 3.4Å; F28-L86 HydrophobicContact CE1-CD1 4.42Å; F28-L86 HydrophobicContact CE1-CD2 3.82Å; F28-L86 HydrophobicContact CE1-CG 4.08Å; F28-L86 HydrophobicContact CZ-CD1 4.28Å; F28-L86 HydrophobicContact CZ-CD2 4Å; F28-L86 HydrophobicContact CZ-CG 4.36Å
29	E	77	Confident	82.9	Confident	128 Å²	128	63.9 Å²	63.9	60%	0.598	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	131.6	172.9	-76.6	170.9	-161.3	0	0	112.2	T25 K31	T25-E29 PolarHBondContact O-N 3.01Å; E29-K31 VanDerWaalsContact C-N 3.27Å; E29-K31 PolarHBondContact O-N 3.02Å
30	G	67.1	Low	83.4	Confident	91 Å²	91	64.9 Å²	64.9	94%	0.938	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	-3.4	-179.9	0	0	0	0	0	115.5	F28	F28-G30 PolarHBondContact O-N 3.13Å
31	K	63.5	Low	83.2	Confident	90 Å²	90	65 Å²	65	39%	0.391	36%	0.361	S	S	.	.	S	Bend	trans	-105.3	133.6	163.5	-62.6	166.2	-169.7	156	0	105.1	L27 F28 E29 E33 A85	L27-K31 PolarHBondContact O-NZ 2.61Å; L27-K31 VanDerWaalsContact O-NZ 3.13Å; F28-K31 PolarHBondContact O-N 2.8Å; F28-K31 VanDerWaalsContact O-N 3.14Å; F28-K31 VanDerWaalsContact O-O 3.06Å; E29-K31 VanDerWaalsContact C-N 3.27Å; E29-K31 PolarHBondContact O-N 3.02Å; K31-E33 PolarHBondContact O-N 2.88Å; K31-A85 HydrophobicContact CD-CB 4.34Å
32	E	62.7	Low	82.1	Confident	131 Å²	131	67.6 Å²	67.6	61%	0.612	38%	0.377	S	S	*	.			trans	-32	118	171.4	-63.3	163.8	148.2	0	0	108.5	A34 R81	E32-A34 WeakPolarHBondContact O-CB 3.49Å; E32-A34 PolarHBondContact O-N 3.21Å; E32-R81 IonicContact OE2-NH1 3.76Å; E32-R81 PolarHBondContact OE2-NH1 3.35Å
33	E	78.9	Confident	80.8	Confident	133 Å²	133	68.6 Å²	68.6	62%	0.621	39%	0.393	S	S	*	.			trans	-63.8	57.1	-164.7	-67.9	-177	-178.3	0	0	113.1	K31 C35 R36	K31-E33 PolarHBondContact O-N 2.88Å; E33-C35 PolarHBondContact O-N 3.26Å; E33-R36 IonicContact OE2-CZ 3.98Å; E33-R36 IonicContact OE2-NE 2.88Å; E33-R36 IonicContact OE2-NH2 3.66Å; E33-R36 PolarHBondContact OE2-NH2 3.5Å
34	A	90.7	Very high	79	Confident	4 Å²	4	66.9 Å²	66.9	3%	0.033	38%	0.384	C	S	.	.			trans	-72.6	-24.9	-166.3	0	0	0	0	0	111.8	E32 C71 E74 A78	E32-A34 WeakPolarHBondContact O-CB 3.49Å; E32-A34 PolarHBondContact O-N 3.21Å; A34-C71 VanDerWaalsContact O-CA 3.26Å; A34-C71 WeakPolarHBondContact O-CA 3.5Å; A34-C71 WeakPolarHBondContact O-CB 3.3Å; A34-E74 HydrophobicContact CB-CB 4.35Å; A34-E74 HydrophobicContact CB-CG 3.75Å; A34-A78 HydrophobicContact CB-CB 3.81Å
35	C	94.8	Very high	77.1	Confident	4 Å²	4	68.3 Å²	68.3	3%	0.027	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	148.7	179.7	-60.9	0	0	0	0	110.3	F28 E33 I69 G70 C71 A82	F28-C35 HydrophobicContact CD2-CB 4.35Å; F28-C35 WeakPolarHBondContact CD2-O 3.28Å; F28-C35 HydrophobicContact CE2-CB 3.85Å; F28-C35 HydrophobicContact CZ-CB 4.09Å; E33-C35 PolarHBondContact O-N 3.26Å; C35-I69 HydrophobicContact CB-CG2 3.93Å; C35-G70 CarbonylContact C-O 3.49Å; C35-G70 VanDerWaalsContact CA-O 3.23Å; C35-G70 WeakPolarHBondContact CA-O 3.33Å; C35-C71 HydrophobicContact CB-CB 4.07Å; C35-C71 WeakPolarHBondContact CB-SG 3.35Å; C35-C71 WeakPolarHBondContact SG-CB 3.45Å; C35-C71 CovalentContact SG-SG 2.04Å; C35-C71 PolarHBondContact SG-SG 2.87Å; C35-A82 HydrophobicContact CB-CB 4.12Å
36	R	93.2	Very high	75	Confident	146 Å²	146	70 Å²	70	55%	0.551	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.3	146.2	175.1	-66.1	-175.2	175	-170.6	-4.2	110.5	E33 F38 I69 G70	E33-R36 IonicContact OE2-CZ 3.98Å; E33-R36 IonicContact OE2-NE 2.88Å; E33-R36 IonicContact OE2-NH2 3.66Å; E33-R36 PolarHBondContact OE2-NH2 3.5Å; R36-F38 HydrophobicContact CB-CE2 3.8Å; R36-F38 HydrophobicContact CB-CZ 3.95Å; R36-I69 WeakPolarHBondContact O-CA 3.3Å; R36-G70 PolarHBondContact N-O 3.24Å; R36-G70 PolarHBondContact O-N 2.99Å
37	C	92.8	Very high	73	Confident	12 Å²	12	66.4 Å²	66.4	8%	0.081	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	142.9	174.9	-171	0	0	0	0	110.1	C21 I24 P67	C21-C37 WeakPolarHBondContact CA-SG 3.35Å; C21-C37 HydrophobicContact CB-CB 3.66Å; C21-C37 WeakPolarHBondContact CB-SG 3.36Å; C21-C37 WeakPolarHBondContact SG-CB 3.45Å; C21-C37 CovalentContact SG-SG 2.05Å; C21-C37 PolarHBondContact SG-SG 2.94Å; I24-C37 HydrophobicContact CB-CB 4.04Å; I24-C37 HydrophobicContact CG2-CB 3.66Å; C37-P67 VanDerWaalsContact SG-CB 3.57Å
38	F	91.6	Very high	70.6	Confident	61 Å²	61	72.3 Å²	72.3	27%	0.268	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	140.7	176.5	-60.1	-89.3	0	0	0	110	C21 R36 P67 W68	C21-F38 PolarHBondContact SG-N 3.19Å; C21-F38 PolarHBondContact SG-O 3.37Å; C21-F38 VanDerWaalsContact SG-O 3.41Å; R36-F38 HydrophobicContact CB-CE2 3.8Å; R36-F38 HydrophobicContact CB-CZ 3.95Å; F38-P67 WeakPolarHBondContact O-CA 3.43Å; F38-P67 VanDerWaalsContact O-CB 3.28Å; F38-P67 WeakPolarHBondContact O-CB 3.47Å; F38-W68 HydrophobicContact CB-CD2 3.75Å; F38-W68 HydrophobicContact CB-CG 4.02Å; F38-W68 HydrophobicContact CB-CH2 4.39Å; F38-W68 HydrophobicContact CB-CZ2 3.61Å; F38-W68 HydrophobicContact CD1-CH2 4.27Å; F38-W68 AromaticContact CD1-CZ2 3.85Å; F38-W68 HydrophobicContact CD1-CZ2 3.85Å; F38-W68 AromaticContact CD2-CD2 3.79Å; F38-W68 HydrophobicContact CD2-CD2 3.79Å; F38-W68 AromaticContact CD2-CE2 3.62Å; F38-W68 AromaticContact CD2-CE3 3.69Å; F38-W68 HydrophobicContact CD2-CE3 3.69Å; F38-W68 AromaticContact CD2-CH2 3.25Å; F38-W68 HydrophobicContact CD2-CH2 3.25Å; F38-W68 AromaticContact CD2-CZ2 3.37Å; F38-W68 HydrophobicContact CD2-CZ2 3.37Å; F38-W68 AromaticContact CD2-CZ3 3.43Å; F38-W68 HydrophobicContact CD2-CZ3 3.43Å; F38-W68 VanDerWaalsContact CD2-CZ3 3.43Å; F38-W68 HydrophobicContact CE1-CH2 4.38Å; F38-W68 HydrophobicContact CE1-CZ2 4.35Å; F38-W68 HydrophobicContact CE2-CE3 4.32Å; F38-W68 AromaticContact CE2-CH2 3.4Å; F38-W68 HydrophobicContact CE2-CH2 3.4Å; F38-W68 VanDerWaalsContact CE2-CH2 3.4Å; F38-W68 AromaticContact CE2-CZ2 3.94Å; F38-W68 HydrophobicContact CE2-CZ2 3.94Å; F38-W68 AromaticContact CE2-CZ3 3.64Å; F38-W68 HydrophobicContact CE2-CZ3 3.64Å; F38-W68 HydrophobicContact CG-CD2 4.06Å; F38-W68 AromaticContact CG-CE2 3.5Å; F38-W68 VanDerWaalsContact CG-CE2 3.5Å; F38-W68 HydrophobicContact CG-CE3 4.41Å; F38-W68 AromaticContact CG-CH2 3.73Å; F38-W68 HydrophobicContact CG-CH2 3.73Å; F38-W68 AromaticContact CG-CZ2 3.31Å; F38-W68 HydrophobicContact CG-CZ2 3.31Å; F38-W68 HydrophobicContact CG-CZ3 4.26Å; F38-W68 AromaticContact CG-NE1 3.98Å; F38-W68 AromaticContact CZ-CH2 3.98Å; F38-W68 HydrophobicContact CZ-CH2 3.98Å; F38-W68 HydrophobicContact CZ-CZ2 4.38Å; F38-W68 PolarHBondContact N-O 3.28Å; F38-W68 PolarHBondContact O-N 2.92Å
39	P	87	Confident	68.4	Low	55 Å²	55	75.5 Å²	75.5	36%	0.357	46%	0.458	S	S	.	.			trans	-64.3	156.4	176.8	26.9	-33.1	0	0	0	111.3	V42	P39-V42 HydrophobicContact CG-CB 4.42Å; P39-V42 HydrophobicContact CG-CG2 3.8Å
40	P	81.7	Confident	66.6	Low	51 Å²	51	75 Å²	75	33%	0.331	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	142.2	175.8	24.3	-33.4	0	0	0	111.2	V42	P40-V42 PolarHBondContact O-N 3.42Å
41	G	73.3	Confident	65.3	Low	68 Å²	68	75.6 Å²	75.6	70%	0.701	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	-12.3	176.7	0	0	0	0	0	116.5
42	V	64.8	Low	64.2	Low	58 Å²	58	75.5 Å²	75.5	35%	0.352	45%	0.454	S	S	.	.	S	Bend	trans	-88.9	132.9	178.4	177.3	0	0	0	0	111.2	P39 P40 S44 W68	P39-V42 HydrophobicContact CG-CB 4.42Å; P39-V42 HydrophobicContact CG-CG2 3.8Å; P40-V42 PolarHBondContact O-N 3.42Å; V42-S44 PolarHBondContact O-N 2.88Å; V42-W68 PolarHBondContact O-NE1 3.21Å
43	G	57.6	Low	63	Low	54 Å²	54	75.1 Å²	75.1	56%	0.557	47%	0.466	S	S	*	.			trans	66.4	24.6	160.9	0	0	0	0	0	116.9	G45	G43-G45 PolarHBondContact O-N 3.42Å
44	S	49.2	Very low	61.3	Low	50 Å²	50	73.2 Å²	73.2	35%	0.35	47%	0.467	S	S	.	.			trans	-68.8	71.1	177	-64.6	0	0	0	0	111.7	V42 G46	V42-S44 PolarHBondContact O-N 2.88Å; S44-G46 PolarHBondContact O-N 3.22Å
45	G	46.5	Very low	59.2	Low	42 Å²	42	77.1 Å²	77.1	43%	0.433	48%	0.484	S	S	.	.			trans	-44.2	109.2	178.1	0	0	0	0	0	111.7	G43 L47	G43-G45 PolarHBondContact O-N 3.42Å; G45-L47 PolarHBondContact O-N 3.3Å
46	G	42.3	Very low	56.7	Low	81 Å²	81	83.9 Å²	83.9	84%	0.835	52%	0.52	S	S	*	.	S	Bend	trans	62.5	-17.8	167	0	0	0	0	0	118.8	S44 H48	S44-G46 PolarHBondContact O-N 3.22Å; G46-H48 VanDerWaalsContact C-N 3.27Å; G46-H48 PolarHBondContact O-N 3.05Å
47	L	44.8	Very low	54.9	Low	69 Å²	69	78.5 Å²	78.5	36%	0.361	51%	0.505	S	S	.	.			trans	-88.3	61.4	-178	-70.5	165.1	0	0	0	111	G45 M49 I119 I144	G45-L47 PolarHBondContact O-N 3.3Å; L47-M49 HydrophobicContact CD2-CE 4.13Å; L47-M49 PolarHBondContact O-N 2.71Å; L47-I119 HydrophobicContact CD1-CD1 3.3Å; L47-I144 HydrophobicContact CD1-CD1 3.78Å; L47-I144 HydrophobicContact CD2-CD1 3.91Å
48	H	34.9	Very low	53.2	Low	179 Å²	179	84.1 Å²	84.1	83%	0.829	54%	0.539	S	S	*	.			trans	-79.2	78.2	150.9	-82.5	-75.9	0	0	0	106.9	G46 S50	G46-H48 VanDerWaalsContact C-N 3.27Å; G46-H48 PolarHBondContact O-N 3.05Å; H48-S50 PolarHBondContact O-N 2.77Å
49	M	42.5	Very low	51.6	Low	79 Å²	79	83 Å²	83	39%	0.389	54%	0.536	S	S	.	.			trans	-57.2	131.7	156.7	-71.4	-85.4	174.7	0	0	105.5	L47 D51 V142 V166	L47-M49 HydrophobicContact CD2-CE 4.13Å; L47-M49 PolarHBondContact O-N 2.71Å; M49-D51 VanDerWaalsContact C-N 3.26Å; M49-D51 PolarHBondContact O-N 3.02Å; M49-V142 HydrophobicContact CE-CG1 4.4Å; M49-V142 HydrophobicContact CE-CG2 4.48Å; M49-V166 HydrophobicContact CE-CB 4.12Å; M49-V166 HydrophobicContact CE-CG1 3.78Å; M49-V166 HydrophobicContact CE-CG2 3.74Å; M49-V166 HydrophobicContact SD-CG2 3.93Å
50	S	38.3	Very low	50	Low	116 Å²	116	85.3 Å²	85.3	81%	0.811	54%	0.538	S	S	*	.			trans	-54.8	100.7	166.8	49.1	0	0	0	0	106.5	H48 D52	H48-S50 PolarHBondContact O-N 2.77Å; S50-D52 PolarHBondContact O-N 3.14Å
51	D	40.4	Very low	48.9	Very low	104 Å²	104	91.5 Å²	91.5	56%	0.556	56%	0.555	S	S	*	*			trans	-57.3	117.9	173	-82.4	-39.4	0	0	0	105.1	M49 S53	M49-D51 VanDerWaalsContact C-N 3.26Å; M49-D51 PolarHBondContact O-N 3.02Å; D51-S53 PolarHBondContact O-N 3.02Å
52	D	40.1	Very low	48.7	Very low	88 Å²	88	90.3 Å²	90.3	47%	0.471	54%	0.536	S	S	.	.			trans	-58.2	86.9	162.3	-103.1	-32.4	0	0	0	105.4	S50 S54 E55 K190	S50-D52 PolarHBondContact O-N 3.14Å; D52-S54 PolarHBondContact O-N 3.09Å; D52-E55 PolarHBondContact O-N 3.28Å; D52-E55 VanDerWaalsContact O-N 3.12Å; D52-K190 IonicContact OD2-NZ 2.76Å; D52-K190 PolarHBondContact OD2-NZ 2.93Å; D52-K190 VanDerWaalsContact OD2-NZ 3.16Å
53	S	38.6	Very low	49.4	Very low	124 Å²	124	87.7 Å²	87.7	87%	0.867	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-4.7	176.6	52.8	0	0	0	0	112	D51	D51-S53 PolarHBondContact O-N 3.02Å
54	S	42.9	Very low	50.2	Low	92 Å²	92	87.3 Å²	87.3	64%	0.643	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-14.2	176.4	62	0	0	0	0	114.1	D52 N56	D52-S54 PolarHBondContact O-N 3.09Å; S54-N56 VanDerWaalsContact C-N 3.34Å; S54-N56 PolarHBondContact O-N 2.8Å
55	E	46.5	Very low	51.7	Low	86 Å²	86	89 Å²	89	40%	0.402	52%	0.524	S	S	.	.			trans	-80.2	85.1	174.8	-80.6	-162.4	-178.2	0	0	111	D52 S57	D52-E55 PolarHBondContact O-N 3.28Å; D52-E55 VanDerWaalsContact O-N 3.12Å; E55-S57 PolarHBondContact O-N 2.89Å
56	N	42.8	Very low	53.7	Low	146 Å²	146	87.4 Å²	87.4	78%	0.781	51%	0.506	S	S	*	.			trans	-70.3	43.7	165.2	-139.6	0.6	0	0	0	111	S54	S54-N56 VanDerWaalsContact C-N 3.34Å; S54-N56 PolarHBondContact O-N 2.8Å
57	S	54.3	Low	56.1	Low	34 Å²	34	83.8 Å²	83.8	24%	0.238	47%	0.468	C	S	.	.			trans	-87.2	140.4	-177.3	72.1	0	0	0	0	110.6	E55 D59 Y60	E55-S57 PolarHBondContact O-N 2.89Å; S57-D59 PolarHBondContact O-N 3.4Å; S57-D59 VanDerWaalsContact O-N 3.14Å; S57-Y60 PolarHBondContact O-N 3.24Å; S57-Y60 VanDerWaalsContact O-N 3.11Å; S57-Y60 PolarHBondContact OG-N 3.42Å
58	T	58.2	Low	58.4	Low	130 Å²	130	81.2 Å²	81.2	80%	0.798	45%	0.454	S	S	*	.	H	α-helix	trans	-55.3	-27.9	174.1	43.4	0	0	0	0	112.5	S62	T58-S62 PolarHBondContact O-N 3.46Å
59	D	56.5	Low	61.3	Low	37 Å²	37	72.7 Å²	72.7	20%	0.198	41%	0.414	C	S	.	.	H	α-helix	trans	-70.4	-38.8	178.1	-161.6	16.5	0	0	0	112.3	S57 R61 S62 F63 H139 R141	S57-D59 PolarHBondContact O-N 3.4Å; S57-D59 VanDerWaalsContact O-N 3.14Å; D59-R61 PolarHBondContact O-N 3.25Å; D59-S62 WeakPolarHBondContact O-CB 3.41Å; D59-S62 PolarHBondContact O-N 2.82Å; D59-S62 PolarHBondContact O-OG 3.46Å; D59-S62 PolarHBondContact OD1-OG 3.08Å; D59-F63 PolarHBondContact O-N 3.37Å; D59-H139 IonicContact OD1-CD2 3.69Å; D59-R141 IonicContact OD2-CZ 2.62Å; D59-R141 IonicContact OD2-NH1 3.91Å; D59-R141 IonicContact OD2-NH2 2.79Å; D59-R141 PolarHBondContact OD2-NH2 3.33Å
60	Y	53	Low	63.7	Low	103 Å²	103	69.1 Å²	69.1	40%	0.404	40%	0.397	S	S	.	.	H	α-helix	trans	-58.9	-49.2	175.4	179.3	-90.7	0	0	0	111.7	S57 S62 F63 A64	S57-Y60 PolarHBondContact O-N 3.24Å; S57-Y60 VanDerWaalsContact O-N 3.11Å; S57-Y60 PolarHBondContact OG-N 3.42Å; Y60-S62 PolarHBondContact O-N 2.9Å; Y60-S62 VanDerWaalsContact O-N 3.14Å; Y60-F63 PolarHBondContact O-N 3.13Å; Y60-A64 HydrophobicContact CE1-CB 4.43Å; Y60-A64 PolarHBondContact O-N 3.11Å; Y60-A64 VanDerWaalsContact O-N 3.13Å
61	R	59.7	Low	66.5	Low	182 Å²	182	63.6 Å²	63.6	69%	0.687	36%	0.359	S	S	*	.	H	α-helix	trans	-59.5	-26.5	177.2	-66.4	-173.7	-175.7	-179.7	2.6	112.2	D59	D59-R61 PolarHBondContact O-N 3.25Å
62	S	69.4	Low	69.1	Low	43 Å²	43	60.6 Å²	60.6	30%	0.301	35%	0.346	S	S	.	.	H	α-helix	trans	-76.4	-28.3	-177.6	88	0	0	0	0	114.2	T58 D59 Y60	T58-S62 PolarHBondContact O-N 3.46Å; D59-S62 WeakPolarHBondContact O-CB 3.41Å; D59-S62 PolarHBondContact O-N 2.82Å; D59-S62 PolarHBondContact O-OG 3.46Å; D59-S62 PolarHBondContact OD1-OG 3.08Å; Y60-S62 PolarHBondContact O-N 2.9Å; Y60-S62 VanDerWaalsContact O-N 3.14Å
63	F	78.4	Confident	71.7	Confident	2 Å²	2	66 Å²	66	1%	0.009	36%	0.36	C	S	.	.	H	α-helix	trans	-104.4	-12.8	179.8	-77	-84.9	0	0	0	114.1	D59 Y60 S65 A66 R91 I92 M114 K116 H139	D59-F63 PolarHBondContact O-N 3.37Å; Y60-F63 PolarHBondContact O-N 3.13Å; F63-S65 PolarHBondContact O-N 3.35Å; F63-A66 HydrophobicContact CD1-CB 4.32Å; F63-A66 WeakPolarHBondContact O-CB 3.32Å; F63-A66 PolarHBondContact O-N 2.83Å; F63-R91 HydrophobicContact CE1-CB 4.22Å; F63-I92 WeakPolarHBondContact CE1-O 3.07Å; F63-M114 HydrophobicContact CZ-CB 4.37Å; F63-K116 HydrophobicContact CB-CD 4.2Å; F63-K116 HydrophobicContact CD1-CB 4.03Å; F63-K116 HydrophobicContact CD2-CB 4.5Å; F63-K116 HydrophobicContact CE1-CB 4.26Å; F63-K116 HydrophobicContact CG-CB 4.15Å; F63-K116 HydrophobicContact CG-CD 4.41Å; F63-H139 HydrophobicContact CZ-CB 4.37Å
64	A	74.4	Confident	74.4	Confident	47 Å²	47	62.8 Å²	62.8	39%	0.388	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-33.1	-176	0	0	0	0	0	113.7	Y60	Y60-A64 HydrophobicContact CE1-CB 4.43Å; Y60-A64 PolarHBondContact O-N 3.11Å; Y60-A64 VanDerWaalsContact O-N 3.13Å
65	S	82.4	Confident	76.9	Confident	86 Å²	86	67 Å²	67	60%	0.601	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	5.4	178	64	0	0	0	0	113.9	F63	F63-S65 PolarHBondContact O-N 3.35Å
66	A	88.1	Confident	79.3	Confident	8 Å²	8	65.4 Å²	65.4	7%	0.066	33%	0.326	C	S	.	.			trans	-77.2	142.5	-179.1	0	0	0	0	0	110.6	F63 Q93	F63-A66 HydrophobicContact CD1-CB 4.32Å; F63-A66 WeakPolarHBondContact O-CB 3.32Å; F63-A66 PolarHBondContact O-N 2.83Å; A66-Q93 HydrophobicContact CB-CB 4.18Å; A66-Q93 WeakPolarHBondContact O-CB 3.48Å
67	P	91.9	Very high	81.7	Confident	5 Å²	5	61 Å²	61	3%	0.032	31%	0.306	C	S	.	.			trans	-70.8	172.4	178	32.4	-36.2	0	0	0	111.4	P20 I24 C37 F38 I92 Q93	P20-P67 HydrophobicContact CB-CG 4.06Å; P20-P67 HydrophobicContact CG-CB 4.28Å; P20-P67 HydrophobicContact CG-CG 4.12Å; I24-P67 HydrophobicContact CD1-CG 3.92Å; C37-P67 VanDerWaalsContact SG-CB 3.57Å; F38-P67 WeakPolarHBondContact O-CA 3.43Å; F38-P67 VanDerWaalsContact O-CB 3.28Å; F38-P67 WeakPolarHBondContact O-CB 3.47Å; P67-I92 WeakPolarHBondContact O-CG2 3.28Å; P67-Q93 PolarHBondContact O-N 3Å
68	W	93.2	Very high	83.6	Confident	14 Å²	14	59.9 Å²	59.9	5%	0.053	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	151.2	164.4	72.5	-90.5	0	0	0	111.3	F38 V42 K94 W96	F38-W68 HydrophobicContact CB-CD2 3.75Å; F38-W68 HydrophobicContact CB-CG 4.02Å; F38-W68 HydrophobicContact CB-CH2 4.39Å; F38-W68 HydrophobicContact CB-CZ2 3.61Å; F38-W68 HydrophobicContact CD1-CH2 4.27Å; F38-W68 AromaticContact CD1-CZ2 3.85Å; F38-W68 HydrophobicContact CD1-CZ2 3.85Å; F38-W68 AromaticContact CD2-CD2 3.79Å; F38-W68 HydrophobicContact CD2-CD2 3.79Å; F38-W68 AromaticContact CD2-CE2 3.62Å; F38-W68 AromaticContact CD2-CE3 3.69Å; F38-W68 HydrophobicContact CD2-CE3 3.69Å; F38-W68 AromaticContact CD2-CH2 3.25Å; F38-W68 HydrophobicContact CD2-CH2 3.25Å; F38-W68 AromaticContact CD2-CZ2 3.37Å; F38-W68 HydrophobicContact CD2-CZ2 3.37Å; F38-W68 AromaticContact CD2-CZ3 3.43Å; F38-W68 HydrophobicContact CD2-CZ3 3.43Å; F38-W68 VanDerWaalsContact CD2-CZ3 3.43Å; F38-W68 HydrophobicContact CE1-CH2 4.38Å; F38-W68 HydrophobicContact CE1-CZ2 4.35Å; F38-W68 HydrophobicContact CE2-CE3 4.32Å; F38-W68 AromaticContact CE2-CH2 3.4Å; F38-W68 HydrophobicContact CE2-CH2 3.4Å; F38-W68 VanDerWaalsContact CE2-CH2 3.4Å; F38-W68 AromaticContact CE2-CZ2 3.94Å; F38-W68 HydrophobicContact CE2-CZ2 3.94Å; F38-W68 AromaticContact CE2-CZ3 3.64Å; F38-W68 HydrophobicContact CE2-CZ3 3.64Å; F38-W68 HydrophobicContact CG-CD2 4.06Å; F38-W68 AromaticContact CG-CE2 3.5Å; F38-W68 VanDerWaalsContact CG-CE2 3.5Å; F38-W68 HydrophobicContact CG-CE3 4.41Å; F38-W68 AromaticContact CG-CH2 3.73Å; F38-W68 HydrophobicContact CG-CH2 3.73Å; F38-W68 AromaticContact CG-CZ2 3.31Å; F38-W68 HydrophobicContact CG-CZ2 3.31Å; F38-W68 HydrophobicContact CG-CZ3 4.26Å; F38-W68 AromaticContact CG-NE1 3.98Å; F38-W68 AromaticContact CZ-CH2 3.98Å; F38-W68 HydrophobicContact CZ-CH2 3.98Å; F38-W68 HydrophobicContact CZ-CZ2 4.38Å; F38-W68 PolarHBondContact N-O 3.28Å; F38-W68 PolarHBondContact O-N 2.92Å; V42-W68 PolarHBondContact O-NE1 3.21Å; W68-K94 CarbonylContact C-O 3.5Å; W68-K94 WeakPolarHBondContact CA-O 3.41Å; W68-K94 HydrophobicContact CB-CB 3.78Å; W68-K94 HydrophobicContact CB-CG 4.39Å; W68-K94 WeakPolarHBondContact CB-O 2.93Å; W68-W96 HydrophobicContact CZ3-CE3 4.38Å
69	I	94.8	Very high	85.4	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	130.4	179.5	-60.9	-172.1	0	0	0	108.7	I24 F28 C35 R36 L83 L86 I92 K94 L95 W96	I24-I69 HydrophobicContact CD1-CD1 4.46Å; I24-I69 HydrophobicContact CG2-CD1 4.2Å; F28-I69 HydrophobicContact CE2-CD1 4.45Å; F28-I69 HydrophobicContact CE2-CG2 4.31Å; F28-I69 HydrophobicContact CZ-CD1 4.07Å; F28-I69 HydrophobicContact CZ-CG2 4.39Å; C35-I69 HydrophobicContact CB-CG2 3.93Å; R36-I69 WeakPolarHBondContact O-CA 3.3Å; I69-L83 HydrophobicContact CG2-CD2 4.47Å; I69-L86 HydrophobicContact CD1-CD1 3.78Å; I69-I92 HydrophobicContact CD1-CD1 3.42Å; I69-I92 VanDerWaalsContact CD1-CD1 3.42Å; I69-I92 HydrophobicContact CD1-CG1 4.2Å; I69-I92 HydrophobicContact CG1-CD1 3.94Å; I69-I92 HydrophobicContact CG1-CG1 4.48Å; I69-I92 HydrophobicContact CG1-CG2 4.27Å; I69-K94 PolarHBondContact N-O 2.88Å; I69-L95 HydrophobicContact CB-CD1 3.95Å; I69-L95 HydrophobicContact CG2-CD1 3.98Å; I69-W96 PolarHBondContact O-N 3.25Å
70	G	94.8	Very high	87.3	Confident	4 Å²	4	55.9 Å²	55.9	4%	0.041	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	132.7	176.2	0	0	0	0	0	111.3	C35 R36 W96	C35-G70 CarbonylContact C-O 3.49Å; C35-G70 VanDerWaalsContact CA-O 3.23Å; C35-G70 WeakPolarHBondContact CA-O 3.33Å; R36-G70 PolarHBondContact N-O 3.24Å; R36-G70 PolarHBondContact O-N 2.99Å; G70-W96 CarbonylContact C-O 3.22Å; G70-W96 VanDerWaalsContact CA-O 3.27Å; G70-W96 WeakPolarHBondContact CA-O 3.38Å
71	C	95.8	Very high	89.2	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.007	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	132.1	172.8	-40.9	0	0	0	0	109	A34 C35 I79 W96 I97 W98	A34-C71 VanDerWaalsContact O-CA 3.26Å; A34-C71 WeakPolarHBondContact O-CA 3.5Å; A34-C71 WeakPolarHBondContact O-CB 3.3Å; C35-C71 HydrophobicContact CB-CB 4.07Å; C35-C71 WeakPolarHBondContact CB-SG 3.35Å; C35-C71 WeakPolarHBondContact SG-CB 3.45Å; C35-C71 CovalentContact SG-SG 2.04Å; C35-C71 PolarHBondContact SG-SG 2.87Å; C71-I79 HydrophobicContact CB-CD1 4.32Å; C71-I79 HydrophobicContact CB-CG1 4.15Å; C71-I79 HydrophobicContact CB-CG2 4.33Å; C71-W96 PolarHBondContact N-O 3.48Å; C71-I97 HydrophobicContact CB-CG1 4.08Å; C71-I97 HydrophobicContact CB-CG2 4.43Å; C71-I97 VanDerWaalsContact O-CA 3.26Å; C71-I97 WeakPolarHBondContact O-CA 3.42Å; C71-W98 PolarHBondContact O-N 3.46Å
72	S	95.1	Very high	90.8	Very high	40 Å²	40	49.2 Å²	49.2	28%	0.28	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	147.5	-175.8	75	0	0	0	0	114	E74 W98	S72-E74 WeakPolarHBondContact O-CG 3.33Å; S72-E74 PolarHBondContact O-N 3.42Å; S72-W98 WeakPolarHBondContact CA-O 3.16Å; S72-W98 VanDerWaalsContact CB-CZ2 3.43Å
73	R	95.2	Very high	92	Very high	202 Å²	202	47.3 Å²	47.3	76%	0.762	23%	0.228	S	C	*	.	S	Bend	trans	61.6	30.4	177.3	-55.5	-179	-179	-179.6	0.6	114	W98 D99 S100	R73-W98 PolarHBondContact N-O 3.44Å; R73-D99 WeakPolarHBondContact CA-O 3.07Å; R73-D99 HydrophobicContact CG-CB 4.27Å; R73-D99 PolarHBondContact N-O 3.37Å; R73-S100 PolarHBondContact N-OG 3.29Å
74	E	95.3	Very high	92.7	Very high	56 Å²	56	48.7 Å²	48.7	26%	0.262	24%	0.239	S	C	.	.			trans	-120	163.2	-173.1	-74.7	-66.1	167	0	0	112.4	A34 S72 I79 S100 L101	A34-E74 HydrophobicContact CB-CB 4.35Å; A34-E74 HydrophobicContact CB-CG 3.75Å; S72-E74 WeakPolarHBondContact O-CG 3.33Å; S72-E74 PolarHBondContact O-N 3.42Å; E74-I79 HydrophobicContact CB-CD1 3.83Å; E74-I79 HydrophobicContact CB-CG1 3.7Å; E74-S100 PolarHBondContact N-OG 2.96Å; E74-S100 CarbonylContact O-C 3.53Å; E74-S100 WeakPolarHBondContact O-CA 3.39Å; E74-S100 VanDerWaalsContact O-CB 3.23Å; E74-S100 WeakPolarHBondContact O-CB 3.26Å; E74-L101 PolarHBondContact O-N 2.92Å
75	R	95.6	Very high	93.5	Very high	180 Å²	180	47.4 Å²	47.4	68%	0.679	23%	0.228	S	C	*	.	B	Isolated β-bridge	trans	-93.6	151.5	173	-61.9	-178.3	-179.5	175.1	0.8	110.4	P77 A78 I79 L101	R75-P77 VanDerWaalsContact C-N 3.31Å; R75-P77 VanDerWaalsContact O-N 3.08Å; R75-A78 PolarHBondContact O-N 3.36Å; R75-I79 PolarHBondContact O-N 2.86Å; R75-L101 HydrophobicContact CG-CB 4.49Å
76	M	95.5	Very high	94	Very high	53 Å²	53	43.3 Å²	43.3	26%	0.261	20%	0.2	S	C	.	.	H	α-helix	trans	-40.7	-47.3	176.9	-178.8	-67	-52.2	0	0	114.7	A78 I79 Y80 L101 I102 F109	M76-A78 PolarHBondContact O-N 3.03Å; M76-I79 PolarHBondContact O-N 3.22Å; M76-Y80 VanDerWaalsContact O-CB 3.31Å; M76-Y80 WeakPolarHBondContact O-CB 3.16Å; M76-Y80 PolarHBondContact O-N 2.85Å; M76-L101 PolarHBondContact N-O 2.99Å; M76-I102 HydrophobicContact CB-CB 4.35Å; M76-I102 HydrophobicContact CB-CG1 4.21Å; M76-I102 HydrophobicContact CB-CG2 4.03Å; M76-I102 HydrophobicContact CG-CG2 3.87Å; M76-F109 HydrophobicContact CG-CE2 3.95Å; M76-F109 HydrophobicContact SD-CD2 4.45Å; M76-F109 HydrophobicContact SD-CE2 4.18Å
77	P	94.6	Very high	94.2	Very high	55 Å²	55	46.2 Å²	46.2	36%	0.357	22%	0.218	S	C	.	.	H	α-helix	trans	-62.6	-38.1	-177.3	-20.5	31.9	0	0	0	113.8	R75 R81	R75-P77 VanDerWaalsContact C-N 3.31Å; R75-P77 VanDerWaalsContact O-N 3.08Å; P77-R81 WeakPolarHBondContact O-CB 3.09Å; P77-R81 VanDerWaalsContact O-CG 3.3Å; P77-R81 WeakPolarHBondContact O-CG 3.23Å; P77-R81 PolarHBondContact O-N 2.89Å
78	A	94.7	Very high	94.2	Very high	9 Å²	9	51.3 Å²	51.3	7%	0.074	25%	0.245	C	C	.	.	H	α-helix	trans	-68.9	-47	-178.1	0	0	0	0	0	110.5	A34 R75 M76 Y80 R81 A82	A34-A78 HydrophobicContact CB-CB 3.81Å; R75-A78 PolarHBondContact O-N 3.36Å; M76-A78 PolarHBondContact O-N 3.03Å; A78-Y80 PolarHBondContact O-N 3.43Å; A78-R81 PolarHBondContact O-N 3.46Å; A78-A82 PolarHBondContact O-N 2.99Å
79	I	95.5	Very high	94.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.4	-45.4	175.5	-59.2	170.1	0	0	0	110.5	C71 E74 R75 M76 R81 A82 L83 I97 I102 F109	C71-I79 HydrophobicContact CB-CD1 4.32Å; C71-I79 HydrophobicContact CB-CG1 4.15Å; C71-I79 HydrophobicContact CB-CG2 4.33Å; E74-I79 HydrophobicContact CB-CD1 3.83Å; E74-I79 HydrophobicContact CB-CG1 3.7Å; R75-I79 PolarHBondContact O-N 2.86Å; M76-I79 PolarHBondContact O-N 3.22Å; I79-R81 PolarHBondContact O-N 3.43Å; I79-A82 PolarHBondContact O-N 3.43Å; I79-L83 HydrophobicContact CG2-CD1 4.01Å; I79-L83 HydrophobicContact CG2-CG 4.23Å; I79-L83 WeakPolarHBondContact O-CG 3.22Å; I79-L83 PolarHBondContact O-N 2.98Å; I79-I97 HydrophobicContact CD1-CG2 3.83Å; I79-I97 HydrophobicContact CG2-CD1 3.87Å; I79-I102 HydrophobicContact CD1-CD1 3.72Å; I79-I102 HydrophobicContact CD1-CG1 4.22Å; I79-F109 HydrophobicContact CB-CZ 4.18Å; I79-F109 HydrophobicContact CG2-CE1 4.24Å; I79-F109 HydrophobicContact CG2-CZ 3.63Å
80	Y	95.1	Very high	93.9	Very high	84 Å²	84	57.2 Å²	57.2	33%	0.329	28%	0.278	S	S	.	.	H	α-helix	trans	-60.4	-43.9	178.2	179.6	-116.3	0	0	0	112	M76 A78 A82 L83 A84 F109	M76-Y80 VanDerWaalsContact O-CB 3.31Å; M76-Y80 WeakPolarHBondContact O-CB 3.16Å; M76-Y80 PolarHBondContact O-N 2.85Å; A78-Y80 PolarHBondContact O-N 3.43Å; Y80-A82 VanDerWaalsContact C-N 3.34Å; Y80-A82 PolarHBondContact O-N 2.92Å; Y80-L83 PolarHBondContact O-N 3.27Å; Y80-A84 WeakPolarHBondContact O-CB 3.26Å; Y80-A84 PolarHBondContact O-N 2.05Å; Y80-F109 AromaticContact CD2-CD2 3.76Å; Y80-F109 HydrophobicContact CD2-CD2 3.76Å; Y80-F109 HydrophobicContact CD2-CE2 4.38Å; Y80-F109 HydrophobicContact CD2-CG 4.35Å; Y80-F109 HydrophobicContact CG-CD2 4.27Å
81	R	93.2	Very high	93.8	Very high	142 Å²	142	63.7 Å²	63.7	54%	0.536	30%	0.302	S	S	.	.	H	α-helix	trans	-62.7	-40.2	176.2	-74.5	-175.9	-136.1	136.8	-2.8	112	E32 P77 A78 I79 A85	E32-R81 IonicContact OE2-NH1 3.76Å; E32-R81 PolarHBondContact OE2-NH1 3.35Å; P77-R81 WeakPolarHBondContact O-CB 3.09Å; P77-R81 VanDerWaalsContact O-CG 3.3Å; P77-R81 WeakPolarHBondContact O-CG 3.23Å; P77-R81 PolarHBondContact O-N 2.89Å; A78-R81 PolarHBondContact O-N 3.46Å; I79-R81 PolarHBondContact O-N 3.43Å; R81-A85 PolarHBondContact O-N 2.64Å; R81-A85 VanDerWaalsContact O-N 3.13Å
82	A	93.7	Very high	93.6	Very high	3 Å²	3	63.7 Å²	63.7	3%	0.025	30%	0.301	C	S	.	.	H	α-helix	trans	-63	-53.4	176.2	0	0	0	0	0	110.7	F28 C35 A78 I79 Y80 A84 A85	F28-A82 HydrophobicContact CD1-CB 4.26Å; F28-A82 HydrophobicContact CE1-CB 4.12Å; F28-A82 WeakPolarHBondContact CE1-O 3.4Å; C35-A82 HydrophobicContact CB-CB 4.12Å; A78-A82 PolarHBondContact O-N 2.99Å; I79-A82 PolarHBondContact O-N 3.43Å; Y80-A82 VanDerWaalsContact C-N 3.34Å; Y80-A82 PolarHBondContact O-N 2.92Å; A82-A84 VanDerWaalsContact C-N 3.34Å; A82-A84 PolarHBondContact O-N 2.84Å; A82-A85 WeakPolarHBondContact O-CB 3.31Å; A82-A85 PolarHBondContact O-N 3.41Å; A82-A85 VanDerWaalsContact O-N 3.08Å
83	L	94.6	Very high	93.4	Very high	3 Å²	3	64.4 Å²	64.4	2%	0.016	30%	0.3	C	S	.	.	H	α-helix	trans	-65.1	-36	-179.9	-60.7	-177	0	0	0	112.7	I69 I79 Y80 A85 L86 L95 F109 F110 L113	I69-L83 HydrophobicContact CG2-CD2 4.47Å; I79-L83 HydrophobicContact CG2-CD1 4.01Å; I79-L83 HydrophobicContact CG2-CG 4.23Å; I79-L83 WeakPolarHBondContact O-CG 3.22Å; I79-L83 PolarHBondContact O-N 2.98Å; Y80-L83 PolarHBondContact O-N 3.27Å; L83-A85 PolarHBondContact O-N 2.92Å; L83-L86 HydrophobicContact CD2-CD1 4.26Å; L83-L86 WeakPolarHBondContact O-CB 3.47Å; L83-L86 PolarHBondContact O-N 3.18Å; L83-L95 HydrophobicContact CD1-CD2 4.07Å; L83-L95 HydrophobicContact CD2-CD1 4.17Å; L83-F109 HydrophobicContact CD1-CD1 4.34Å; L83-F109 HydrophobicContact CD1-CE1 3.88Å; L83-F109 HydrophobicContact CD1-CZ 4.43Å; L83-F110 HydrophobicContact CD1-CD1 4.34Å; L83-F110 HydrophobicContact CD1-CE1 4.47Å; L83-L113 HydrophobicContact CB-CD1 4.46Å; L83-L113 HydrophobicContact CD1-CD1 4.22Å; L83-L113 HydrophobicContact CD2-CD1 4.13Å; L83-L113 HydrophobicContact CG-CD1 4.49Å
84	A	93	Very high	93.4	Very high	31 Å²	31	55.4 Å²	55.4	26%	0.256	27%	0.267	S	S	.	.	H	α-helix	trans	-71.2	-14.9	176.1	0	0	0	0	0	113.4	Y80 A82 L86 R112	Y80-A84 WeakPolarHBondContact O-CB 3.26Å; Y80-A84 PolarHBondContact O-N 2.05Å; A82-A84 VanDerWaalsContact C-N 3.34Å; A82-A84 PolarHBondContact O-N 2.84Å; A84-L86 VanDerWaalsContact C-N 3.28Å; A84-R112 PolarHBondContact O-NE 3.02Å; A84-R112 PolarHBondContact O-NH1 3.12Å
85	A	92.3	Very high	93.4	Very high	19 Å²	19	52.7 Å²	52.7	16%	0.157	25%	0.254	C	S	.	.	H	α-helix	trans	-71.8	-25	173.3	0	0	0	0	0	113	K31 R81 A82 L83	K31-A85 HydrophobicContact CD-CB 4.34Å; R81-A85 PolarHBondContact O-N 2.64Å; R81-A85 VanDerWaalsContact O-N 3.13Å; A82-A85 WeakPolarHBondContact O-CB 3.31Å; A82-A85 PolarHBondContact O-N 3.41Å; A82-A85 VanDerWaalsContact O-N 3.08Å; L83-A85 PolarHBondContact O-N 2.92Å
86	L	92.7	Very high	93.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-68.6	152.8	-173.5	-63.6	170	0	0	0	111.3	I24 L27 F28 I69 L83 A84 I92 R112 L113	I24-L86 HydrophobicContact CB-CD2 4.37Å; I24-L86 HydrophobicContact CG1-CD2 3.99Å; I24-L86 HydrophobicContact CG2-CD2 3.83Å; L27-L86 HydrophobicContact CD1-CD2 4.38Å; F28-L86 HydrophobicContact CE1-CD1 4.42Å; F28-L86 HydrophobicContact CE1-CD2 3.82Å; F28-L86 HydrophobicContact CE1-CG 4.08Å; F28-L86 HydrophobicContact CZ-CD1 4.28Å; F28-L86 HydrophobicContact CZ-CD2 4Å; F28-L86 HydrophobicContact CZ-CG 4.36Å; I69-L86 HydrophobicContact CD1-CD1 3.78Å; L83-L86 HydrophobicContact CD2-CD1 4.26Å; L83-L86 WeakPolarHBondContact O-CB 3.47Å; L83-L86 PolarHBondContact O-N 3.18Å; A84-L86 VanDerWaalsContact C-N 3.28Å; L86-I92 HydrophobicContact CD1-CD1 4.48Å; L86-R112 WeakPolarHBondContact O-CD 3.32Å; L86-R112 PolarHBondContact O-NH1 2.79Å; L86-L113 HydrophobicContact CB-CD2 4.43Å; L86-L113 HydrophobicContact CD1-CD2 3.62Å
87	P	92	Very high	93.5	Very high	69 Å²	69	43.7 Å²	43.7	45%	0.448	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-58.9	155	171.2	-23.4	34.4	0	0	0	112.1	L27 T90	L27-P87 HydrophobicContact CD1-CG 4.37Å; P87-T90 WeakPolarHBondContact CD-OG1 3.29Å; P87-T90 PolarHBondContact O-N 2.96Å; P87-T90 PolarHBondContact O-OG1 3.44Å
88	N	92.2	Very high	93.6	Very high	113 Å²	113	44.3 Å²	44.3	60%	0.604	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	145.8	172.2	-72.5	-15.2	0	0	0	110.7	T90 R112	N88-T90 PolarHBondContact O-N 3.17Å; N88-R112 WeakPolarHBondContact OD1-CD 3.28Å; N88-R112 WeakPolarHBondContact OD1-CG 3.42Å
89	N	90.1	Very high	93.8	Very high	117 Å²	117	47.7 Å²	47.7	63%	0.626	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	31	-178.3	-53.1	-31.9	0	0	0	113.6	R91 R112 M114	N89-R91 PolarHBondContact O-N 3.37Å; N89-R91 VanDerWaalsContact O-N 3.12Å; N89-R112 WeakPolarHBondContact CA-O 3.35Å; N89-R112 PolarHBondContact N-O 2.91Å; N89-M114 HydrophobicContact CB-SD 4.17Å
90	T	92	Very high	93.8	Very high	20 Å²	20	48.1 Å²	48.1	12%	0.123	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	116.4	173.1	-63.7	0	0	0	0	108.6	P87 N88 I92 R112 M114	P87-T90 WeakPolarHBondContact CD-OG1 3.29Å; P87-T90 PolarHBondContact O-N 2.96Å; P87-T90 PolarHBondContact O-OG1 3.44Å; N88-T90 PolarHBondContact O-N 3.17Å; T90-I92 HydrophobicContact CG2-CD1 4.43Å; T90-I92 HydrophobicContact CG2-CG1 4.06Å; T90-R112 PolarHBondContact N-O 3.48Å; T90-M114 PolarHBondContact O-N 3.35Å
91	R	91.1	Very high	94	Very high	141 Å²	141	48 Å²	48	53%	0.532	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	124.4	178.5	-65.2	-173.4	-175.7	123.5	1	109.9	F63 N89 M114	F63-R91 HydrophobicContact CE1-CB 4.22Å; N89-R91 PolarHBondContact O-N 3.37Å; N89-R91 VanDerWaalsContact O-N 3.12Å; R91-M114 WeakPolarHBondContact CA-O 3.38Å; R91-M114 HydrophobicContact CG-CB 4.29Å; R91-M114 HydrophobicContact CG-SD 4.26Å
92	I	91.7	Very high	94.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	129.6	179.6	-56.2	174.3	0	0	0	107.2	F63 P67 I69 L86 T90 K94 L113 M114 V115 K116	F63-I92 WeakPolarHBondContact CE1-O 3.07Å; P67-I92 WeakPolarHBondContact O-CG2 3.28Å; I69-I92 HydrophobicContact CD1-CD1 3.42Å; I69-I92 VanDerWaalsContact CD1-CD1 3.42Å; I69-I92 HydrophobicContact CD1-CG1 4.2Å; I69-I92 HydrophobicContact CG1-CD1 3.94Å; I69-I92 HydrophobicContact CG1-CG1 4.48Å; I69-I92 HydrophobicContact CG1-CG2 4.27Å; L86-I92 HydrophobicContact CD1-CD1 4.48Å; T90-I92 HydrophobicContact CG2-CD1 4.43Å; T90-I92 HydrophobicContact CG2-CG1 4.06Å; I92-K94 WeakPolarHBondContact CG2-O 3.26Å; I92-L113 HydrophobicContact CD1-CD1 4.09Å; I92-L113 HydrophobicContact CD1-CD2 3.64Å; I92-L113 HydrophobicContact CD1-CG 4.33Å; I92-M114 PolarHBondContact N-O 2.89Å; I92-V115 HydrophobicContact CB-CG2 4.26Å; I92-V115 WeakPolarHBondContact O-CA 3.36Å; I92-K116 PolarHBondContact O-N 2.04Å
93	Q	92.4	Very high	94.2	Very high	55 Å²	55	43.8 Å²	43.8	26%	0.257	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	-47.1	176	-172	-173.9	23.7	0	0	110.4	A66 P67 K116 N117	A66-Q93 HydrophobicContact CB-CB 4.18Å; A66-Q93 WeakPolarHBondContact O-CB 3.48Å; P67-Q93 PolarHBondContact O-N 3Å; Q93-K116 WeakPolarHBondContact O-CB 3.32Å; Q93-N117 PolarHBondContact O-N 2.91Å
94	K	93.5	Very high	94.3	Very high	13 Å²	13	46.1 Å²	46.1	6%	0.057	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	128.5	-178.8	170.2	-180	166.2	175.7	0	111.4	W68 I69 I92 N117 I119	W68-K94 CarbonylContact C-O 3.5Å; W68-K94 WeakPolarHBondContact CA-O 3.41Å; W68-K94 HydrophobicContact CB-CB 3.78Å; W68-K94 HydrophobicContact CB-CG 4.39Å; W68-K94 WeakPolarHBondContact CB-O 2.93Å; I69-K94 PolarHBondContact N-O 2.88Å; I92-K94 WeakPolarHBondContact CG2-O 3.26Å; K94-N117 CarbonylContact C-O 3.14Å; K94-N117 VanDerWaalsContact CA-O 3.24Å; K94-N117 WeakPolarHBondContact CA-O 3.37Å; K94-N117 HydrophobicContact CB-CB 4.22Å; K94-N117 HydrophobicContact CG-CB 4.49Å; K94-I119 HydrophobicContact CD-CD1 4.25Å
95	L	96	Very high	94.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.5	165.3	175.8	59.9	0	0	0	108	I69 L83 I97 F110 L113 V115 N117 L118 I119	I69-L95 HydrophobicContact CB-CD1 3.95Å; I69-L95 HydrophobicContact CG2-CD1 3.98Å; L83-L95 HydrophobicContact CD1-CD2 4.07Å; L83-L95 HydrophobicContact CD2-CD1 4.17Å; L95-I97 HydrophobicContact CD1-CG1 4.27Å; L95-I97 HydrophobicContact CD2-CD1 4.39Å; L95-I97 HydrophobicContact CG-CD1 4.41Å; L95-I97 HydrophobicContact CG-CG1 4.37Å; L95-F110 HydrophobicContact CD2-CD1 3.77Å; L95-F110 HydrophobicContact CD2-CE1 3.6Å; L95-L113 HydrophobicContact CD2-CD1 3.88Å; L95-V115 HydrophobicContact CB-CG1 4.1Å; L95-V115 HydrophobicContact CB-CG2 4.24Å; L95-N117 PolarHBondContact N-O 2.96Å; L95-L118 HydrophobicContact CB-CD1 3.96Å; L95-L118 HydrophobicContact CD2-CD1 3.83Å; L95-L118 HydrophobicContact CG-CD1 3.92Å; L95-I119 PolarHBondContact O-N 3.36Å
96	W	96.6	Very high	94.7	Very high	44 Å²	44	45.6 Å²	45.6	17%	0.167	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	115.8	179.4	-169.8	5.7	0	0	0	110.4	W68 I69 G70 C71 W98 I119	W68-W96 HydrophobicContact CZ3-CE3 4.38Å; I69-W96 PolarHBondContact O-N 3.25Å; G70-W96 CarbonylContact C-O 3.22Å; G70-W96 VanDerWaalsContact CA-O 3.27Å; G70-W96 WeakPolarHBondContact CA-O 3.38Å; C71-W96 PolarHBondContact N-O 3.48Å; W96-W98 HydrophobicContact CB-CE3 4.29Å; W96-W98 HydrophobicContact CB-CZ3 4.35Å; W96-W98 AromaticContact CD1-CE3 3.74Å; W96-W98 AromaticContact CD2-CE3 3.82Å; W96-W98 HydrophobicContact CD2-CE3 3.82Å; W96-W98 HydrophobicContact CD2-CZ3 4.11Å; W96-W98 HydrophobicContact CE3-CE3 4.46Å; W96-W98 HydrophobicContact CE3-CZ3 4.35Å; W96-W98 AromaticContact CG-CE3 3.69Å; W96-W98 HydrophobicContact CG-CE3 3.69Å; W96-W98 HydrophobicContact CG-CZ3 4.09Å; W96-W98 AromaticContact NE1-CE3 3.92Å; W96-I119 WeakPolarHBondContact CA-O 3.12Å; W96-I119 HydrophobicContact CB-CB 4.35Å; W96-I119 HydrophobicContact CG-CB 4.07Å; W96-I119 HydrophobicContact CG-CD1 4.36Å; W96-I119 HydrophobicContact CG-CG2 4.19Å
97	I	97.1	Very high	94.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	124.6	173	-56.8	170.4	0	0	0	107.4	C71 I79 L95 I102 F109 F110 I119 L120 E121	C71-I97 HydrophobicContact CB-CG1 4.08Å; C71-I97 HydrophobicContact CB-CG2 4.43Å; C71-I97 VanDerWaalsContact O-CA 3.26Å; C71-I97 WeakPolarHBondContact O-CA 3.42Å; I79-I97 HydrophobicContact CD1-CG2 3.83Å; I79-I97 HydrophobicContact CG2-CD1 3.87Å; L95-I97 HydrophobicContact CD1-CG1 4.27Å; L95-I97 HydrophobicContact CD2-CD1 4.39Å; L95-I97 HydrophobicContact CG-CD1 4.41Å; L95-I97 HydrophobicContact CG-CG1 4.37Å; I97-I102 HydrophobicContact CD1-CD1 4.43Å; I97-I102 HydrophobicContact CG2-CD1 3.73Å; I97-F109 HydrophobicContact CD1-CE1 3.99Å; I97-F109 HydrophobicContact CD1-CZ 4.46Å; I97-F110 HydrophobicContact CD1-CE1 4.5Å; I97-I119 PolarHBondContact N-O 3.34Å; I97-L120 HydrophobicContact CB-CD2 3.68Å; I97-L120 HydrophobicContact CD1-CD2 3.64Å; I97-L120 HydrophobicContact CG1-CD2 4.01Å; I97-L120 HydrophobicContact CG2-CD2 4.47Å; I97-L120 WeakPolarHBondContact O-CA 3.39Å; I97-E121 PolarHBondContact O-N 3.39Å
98	W	97.2	Very high	94.9	Very high	67 Å²	67	54.9 Å²	54.9	25%	0.254	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	160.8	179.5	73.8	99.3	0	0	0	113.9	C71 S72 R73 W96 S100 E121	C71-W98 PolarHBondContact O-N 3.46Å; S72-W98 WeakPolarHBondContact CA-O 3.16Å; S72-W98 VanDerWaalsContact CB-CZ2 3.43Å; R73-W98 PolarHBondContact N-O 3.44Å; W96-W98 HydrophobicContact CB-CE3 4.29Å; W96-W98 HydrophobicContact CB-CZ3 4.35Å; W96-W98 AromaticContact CD1-CE3 3.74Å; W96-W98 AromaticContact CD2-CE3 3.82Å; W96-W98 HydrophobicContact CD2-CE3 3.82Å; W96-W98 HydrophobicContact CD2-CZ3 4.11Å; W96-W98 HydrophobicContact CE3-CE3 4.46Å; W96-W98 HydrophobicContact CE3-CZ3 4.35Å; W96-W98 AromaticContact CG-CE3 3.69Å; W96-W98 HydrophobicContact CG-CE3 3.69Å; W96-W98 HydrophobicContact CG-CZ3 4.09Å; W96-W98 AromaticContact NE1-CE3 3.92Å; W98-S100 PolarHBondContact O-N 3.41Å; W98-S100 PolarHBondContact O-OG 2.81Å; W98-E121 WeakPolarHBondContact CA-O 3.46Å; W98-E121 HydrophobicContact CB-CB 4.35Å
99	D	97.2	Very high	95	Very high	80 Å²	80	49.7 Å²	49.7	43%	0.428	24%	0.241	S	C	.	.	S	Bend	trans	47.1	35.6	178.3	-62.7	-20.9	0	0	0	113.3	R73 E121 S122	R73-D99 WeakPolarHBondContact CA-O 3.07Å; R73-D99 HydrophobicContact CG-CB 4.27Å; R73-D99 PolarHBondContact N-O 3.37Å; D99-E121 PolarHBondContact N-O 2.79Å; D99-S122 WeakPolarHBondContact CA-O 3.27Å; D99-S122 VanDerWaalsContact OD1-CB 3.31Å; D99-S122 WeakPolarHBondContact OD1-CB 3.37Å
100	S	97.4	Very high	95.3	Very high	10 Å²	10	44.1 Å²	44.1	7%	0.07	21%	0.212	C	C	.	.			trans	-113.1	171.6	-172	-66.9	0	0	0	0	111	R73 E74 W98 S123	R73-S100 PolarHBondContact N-OG 3.29Å; E74-S100 PolarHBondContact N-OG 2.96Å; E74-S100 CarbonylContact O-C 3.53Å; E74-S100 WeakPolarHBondContact O-CA 3.39Å; E74-S100 VanDerWaalsContact O-CB 3.23Å; E74-S100 WeakPolarHBondContact O-CB 3.26Å; W98-S100 PolarHBondContact O-N 3.41Å; W98-S100 PolarHBondContact O-OG 2.81Å; S100-S123 CarbonylContact O-C 3.6Å; S100-S123 WeakPolarHBondContact O-CA 3.17Å
101	L	97.3	Very high	95.2	Very high	80 Å²	80	45.2 Å²	45.2	42%	0.419	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-113.4	93.5	176.9	-174.3	61	0	0	0	109.8	E74 R75 M76 P103 H124	E74-L101 PolarHBondContact O-N 2.92Å; R75-L101 HydrophobicContact CG-CB 4.49Å; M76-L101 PolarHBondContact N-O 2.99Å; L101-P103 HydrophobicContact CD1-CG 3.99Å; L101-P103 HydrophobicContact CG-CG 4.31Å; L101-H124 HydrophobicContact CD1-CB 3.97Å
102	I	96.8	Very high	95.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.22	C	C	.	.			trans	-129	69.4	178.5	-46	178.6	0	0	0	110.5	M76 I79 I97 V104 V105 F109 S123 V125	M76-I102 HydrophobicContact CB-CB 4.35Å; M76-I102 HydrophobicContact CB-CG1 4.21Å; M76-I102 HydrophobicContact CB-CG2 4.03Å; M76-I102 HydrophobicContact CG-CG2 3.87Å; I79-I102 HydrophobicContact CD1-CD1 3.72Å; I79-I102 HydrophobicContact CD1-CG1 4.22Å; I97-I102 HydrophobicContact CD1-CD1 4.43Å; I97-I102 HydrophobicContact CG2-CD1 3.73Å; I102-V104 PolarHBondContact O-N 2.89Å; I102-V105 HydrophobicContact CG2-CG2 3.88Å; I102-F109 HydrophobicContact CD1-CZ 4.06Å; I102-S123 PolarHBondContact N-O 3.47Å; I102-V125 HydrophobicContact CB-CG2 4.22Å; I102-V125 VanDerWaalsContact O-CA 3.3Å; I102-V125 WeakPolarHBondContact O-CA 3.11Å; I102-V125 WeakPolarHBondContact O-CG2 3.45Å
103	P	96	Very high	95.4	Very high	57 Å²	57	43.6 Å²	43.6	37%	0.37	22%	0.221	S	C	.	.	S	Bend	trans	-56.4	-38.2	-177.6	-23.3	33.3	0	0	0	113.7	L101 H124 G126 Q127	L101-P103 HydrophobicContact CD1-CG 3.99Å; L101-P103 HydrophobicContact CG-CG 4.31Å; P103-H124 VanDerWaalsContact CA-O 3.3Å; P103-H124 WeakPolarHBondContact CA-O 3.07Å; P103-G126 PolarHBondContact O-N 3.25Å; P103-Q127 PolarHBondContact O-N 2.95Å; P103-Q127 VanDerWaalsContact O-N 3.15Å
104	V	96.4	Very high	95.4	Very high	52 Å²	52	42.3 Å²	42.3	32%	0.315	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	127	-177.4	-178.8	0	0	0	0	109.1	I102 P106 Q127 F129	I102-V104 PolarHBondContact O-N 2.89Å; V104-P106 WeakPolarHBondContact O-CD 3.17Å; V104-Q127 CarbonylContact C-O 3.53Å; V104-Q127 WeakPolarHBondContact CA-O 3.17Å; V104-Q127 HydrophobicContact CG1-CB 4.48Å; V104-Q127 HydrophobicContact CG2-CB 4.23Å; V104-F129 HydrophobicContact CG1-CD2 3.69Å; V104-F129 HydrophobicContact CG1-CE2 3.41Å; V104-F129 VanDerWaalsContact CG1-CE2 3.41Å
105	V	96.8	Very high	95.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	110.4	176.8	-167.4	0	0	0	0	109.7	I102 F109 F110 V125 Q127 F128 F129 V132	I102-V105 HydrophobicContact CG2-CG2 3.88Å; V105-F109 HydrophobicContact CG1-CB 3.67Å; V105-F109 HydrophobicContact CG1-CD1 3.83Å; V105-F109 HydrophobicContact CG1-CD2 4.4Å; V105-F109 HydrophobicContact CG1-CG 3.72Å; V105-F110 HydrophobicContact CG1-CE2 3.99Å; V105-F110 HydrophobicContact CG1-CZ 4.36Å; V105-V125 HydrophobicContact CG2-CG1 3.71Å; V105-V125 HydrophobicContact CG2-CG2 4.49Å; V105-Q127 PolarHBondContact N-O 2.91Å; V105-F128 HydrophobicContact CB-CD1 3.66Å; V105-F128 HydrophobicContact CB-CE1 4.07Å; V105-F128 HydrophobicContact CB-CG 4.5Å; V105-F128 HydrophobicContact CG1-CD1 4.31Å; V105-F128 HydrophobicContact CG2-CD1 3.66Å; V105-F128 HydrophobicContact CG2-CE1 3.57Å; V105-F128 HydrophobicContact CG2-CZ 4.39Å; V105-F129 PolarHBondContact O-N 3.36Å; V105-V132 HydrophobicContact CB-CG2 4.46Å; V105-V132 HydrophobicContact CG1-CG2 3.73Å
106	P	95.7	Very high	95.2	Very high	39 Å²	39	43.4 Å²	43.4	25%	0.253	22%	0.22	S	C	.	.			trans	-69.7	154.8	-178.5	26.9	-32.3	0	0	0	112.4	V104 K108 F109 V132	V104-P106 WeakPolarHBondContact O-CD 3.17Å; P106-K108 PolarHBondContact O-N 3.38Å; P106-K108 VanDerWaalsContact O-N 3.09Å; P106-F109 HydrophobicContact CG-CB 3.98Å; P106-F109 HydrophobicContact CG-CD2 3.9Å; P106-F109 HydrophobicContact CG-CG 4.41Å; P106-F109 WeakPolarHBondContact O-CB 3.23Å; P106-F109 PolarHBondContact O-N 2.9Å; P106-V132 WeakPolarHBondContact O-CG2 3.33Å
107	Q	94.3	Very high	95.2	Very high	111 Å²	111	43.1 Å²	43.1	52%	0.519	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-37.5	-175.2	-175	-177	16.1	0	0	113.6	F129 P130	Q107-F129 HydrophobicContact CB-CB 4.1Å; Q107-P130 WeakPolarHBondContact CG-O 3.21Å
108	K	94.4	Very high	95.2	Very high	153 Å²	153	43.1 Å²	43.1	67%	0.665	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	3.9	-177.6	-64.2	-174.4	180	179.5	0	113.9	P106 F110 G111	P106-K108 PolarHBondContact O-N 3.38Å; P106-K108 VanDerWaalsContact O-N 3.09Å; K108-F110 PolarHBondContact O-N 2.9Å; K108-F110 VanDerWaalsContact O-N 3.17Å; K108-G111 PolarHBondContact O-N 3.42Å
109	F	95.7	Very high	95.2	Very high	4 Å²	4	40 Å²	40	2%	0.018	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-39.5	-172.3	-166.5	-97.2	0	0	0	112.8	M76 I79 Y80 L83 I97 I102 V105 P106	M76-F109 HydrophobicContact CG-CE2 3.95Å; M76-F109 HydrophobicContact SD-CD2 4.45Å; M76-F109 HydrophobicContact SD-CE2 4.18Å; I79-F109 HydrophobicContact CB-CZ 4.18Å; I79-F109 HydrophobicContact CG2-CE1 4.24Å; I79-F109 HydrophobicContact CG2-CZ 3.63Å; Y80-F109 AromaticContact CD2-CD2 3.76Å; Y80-F109 HydrophobicContact CD2-CD2 3.76Å; Y80-F109 HydrophobicContact CD2-CE2 4.38Å; Y80-F109 HydrophobicContact CD2-CG 4.35Å; Y80-F109 HydrophobicContact CG-CD2 4.27Å; L83-F109 HydrophobicContact CD1-CD1 4.34Å; L83-F109 HydrophobicContact CD1-CE1 3.88Å; L83-F109 HydrophobicContact CD1-CZ 4.43Å; I97-F109 HydrophobicContact CD1-CE1 3.99Å; I97-F109 HydrophobicContact CD1-CZ 4.46Å; I102-F109 HydrophobicContact CD1-CZ 4.06Å; V105-F109 HydrophobicContact CG1-CB 3.67Å; V105-F109 HydrophobicContact CG1-CD1 3.83Å; V105-F109 HydrophobicContact CG1-CD2 4.4Å; V105-F109 HydrophobicContact CG1-CG 3.72Å; P106-F109 HydrophobicContact CG-CB 3.98Å; P106-F109 HydrophobicContact CG-CD2 3.9Å; P106-F109 HydrophobicContact CG-CG 4.41Å; P106-F109 WeakPolarHBondContact O-CB 3.23Å; P106-F109 PolarHBondContact O-N 2.9Å
110	F	95.1	Very high	95.2	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	14.2	177.4	-53.1	-64.6	0	0	0	114	L83 L95 I97 V105 K108 R112 L113 L118 L120 V132 F133 F136	L83-F110 HydrophobicContact CD1-CD1 4.34Å; L83-F110 HydrophobicContact CD1-CE1 4.47Å; L95-F110 HydrophobicContact CD2-CD1 3.77Å; L95-F110 HydrophobicContact CD2-CE1 3.6Å; I97-F110 HydrophobicContact CD1-CE1 4.5Å; V105-F110 HydrophobicContact CG1-CE2 3.99Å; V105-F110 HydrophobicContact CG1-CZ 4.36Å; K108-F110 PolarHBondContact O-N 2.9Å; K108-F110 VanDerWaalsContact O-N 3.17Å; F110-R112 PolarHBondContact O-N 3.48Å; F110-L113 HydrophobicContact CD1-CD1 4.36Å; F110-L113 PolarHBondContact O-N 3.23Å; F110-L118 HydrophobicContact CE1-CD1 3.99Å; F110-L118 HydrophobicContact CE1-CD2 4.39Å; F110-L118 HydrophobicContact CE2-CD2 3.96Å; F110-L118 HydrophobicContact CZ-CD1 4.07Å; F110-L118 HydrophobicContact CZ-CD2 3.85Å; F110-L120 HydrophobicContact CZ-CD1 4.34Å; F110-L120 HydrophobicContact CZ-CD2 4.4Å; F110-V132 HydrophobicContact CD2-CG2 3.86Å; F110-V132 HydrophobicContact CE2-CG2 4.04Å; F110-F133 HydrophobicContact CE2-CE1 4.21Å; F110-F136 HydrophobicContact CB-CE1 3.9Å; F110-F136 HydrophobicContact CB-CE2 3.83Å; F110-F136 HydrophobicContact CB-CZ 3.24Å; F110-F136 HydrophobicContact CD1-CE2 4.37Å; F110-F136 AromaticContact CD1-CZ 3.83Å; F110-F136 HydrophobicContact CD1-CZ 3.83Å; F110-F136 AromaticContact CD2-CE2 3.62Å; F110-F136 HydrophobicContact CD2-CE2 3.62Å; F110-F136 AromaticContact CD2-CZ 3.83Å; F110-F136 HydrophobicContact CD2-CZ 3.83Å; F110-F136 HydrophobicContact CE2-CE2 4.26Å; F110-F136 HydrophobicContact CG-CE1 4.45Å; F110-F136 AromaticContact CG-CE2 3.7Å; F110-F136 HydrophobicContact CG-CE2 3.7Å; F110-F136 AromaticContact CG-CZ 3.37Å; F110-F136 HydrophobicContact CG-CZ 3.37Å
111	G	91.7	Very high	95.2	Very high	43 Å²	43	37.6 Å²	37.6	44%	0.443	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.1	-163.9	0	0	0	0	0	116.5	K108	K108-G111 PolarHBondContact O-N 3.42Å
112	R	92.1	Very high	95.2	Very high	103 Å²	103	35.8 Å²	35.8	39%	0.389	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-2.6	178.9	-60.1	-160.6	177	-175.2	1.6	114.1	A84 L86 N88 N89 T90 F110	A84-R112 PolarHBondContact O-NE 3.02Å; A84-R112 PolarHBondContact O-NH1 3.12Å; L86-R112 WeakPolarHBondContact O-CD 3.32Å; L86-R112 PolarHBondContact O-NH1 2.79Å; N88-R112 WeakPolarHBondContact OD1-CD 3.28Å; N88-R112 WeakPolarHBondContact OD1-CG 3.42Å; N89-R112 WeakPolarHBondContact CA-O 3.35Å; N89-R112 PolarHBondContact N-O 2.91Å; T90-R112 PolarHBondContact N-O 3.48Å; F110-R112 PolarHBondContact O-N 3.48Å
113	L	93.6	Very high	95.3	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.016	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	144.5	-166.1	-55.7	-177.3	0	0	0	111.9	L83 L86 I92 L95 F110 V115 F136	L83-L113 HydrophobicContact CB-CD1 4.46Å; L83-L113 HydrophobicContact CD1-CD1 4.22Å; L83-L113 HydrophobicContact CD2-CD1 4.13Å; L83-L113 HydrophobicContact CG-CD1 4.49Å; L86-L113 HydrophobicContact CB-CD2 4.43Å; L86-L113 HydrophobicContact CD1-CD2 3.62Å; I92-L113 HydrophobicContact CD1-CD1 4.09Å; I92-L113 HydrophobicContact CD1-CD2 3.64Å; I92-L113 HydrophobicContact CD1-CG 4.33Å; L95-L113 HydrophobicContact CD2-CD1 3.88Å; F110-L113 HydrophobicContact CD1-CD1 4.36Å; F110-L113 PolarHBondContact O-N 3.23Å; L113-V115 HydrophobicContact CB-CG2 3.96Å; L113-F136 HydrophobicContact CB-CE1 4.04Å
114	M	92.2	Very high	95.3	Very high	28 Å²	28	37.5 Å²	37.5	14%	0.138	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	115.5	162.2	-61.5	-179.2	72.2	0	0	107.3	F63 N89 T90 R91 I92 H139	F63-M114 HydrophobicContact CZ-CB 4.37Å; N89-M114 HydrophobicContact CB-SD 4.17Å; T90-M114 PolarHBondContact O-N 3.35Å; R91-M114 WeakPolarHBondContact CA-O 3.38Å; R91-M114 HydrophobicContact CG-CB 4.29Å; R91-M114 HydrophobicContact CG-SD 4.26Å; I92-M114 PolarHBondContact N-O 2.89Å; M114-H139 WeakPolarHBondContact CE-CE1 3.25Å; M114-H139 WeakPolarHBondContact CE-NE2 3.44Å
115	V	93.9	Very high	95.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	134.1	-172.6	-177	0	0	0	0	110	I92 L95 L113 N117 L118 F136 L140	I92-V115 HydrophobicContact CB-CG2 4.26Å; I92-V115 WeakPolarHBondContact O-CA 3.36Å; L95-V115 HydrophobicContact CB-CG1 4.1Å; L95-V115 HydrophobicContact CB-CG2 4.24Å; L113-V115 HydrophobicContact CB-CG2 3.96Å; V115-N117 VanDerWaalsContact CG1-C 3.47Å; V115-N117 WeakPolarHBondContact CG1-O 3.41Å; V115-L118 HydrophobicContact CG1-CB 4.39Å; V115-F136 HydrophobicContact CB-CD1 3.95Å; V115-F136 HydrophobicContact CB-CE1 3.67Å; V115-F136 HydrophobicContact CB-CZ 4.16Å; V115-F136 HydrophobicContact CG2-CD1 4.18Å; V115-F136 HydrophobicContact CG2-CE1 3.45Å; V115-F136 VanDerWaalsContact CG2-CE1 3.45Å; V115-F136 HydrophobicContact CG2-CZ 3.92Å; V115-L140 HydrophobicContact CG1-CD1 4.49Å; V115-L140 WeakPolarHBondContact O-CD1 3.42Å
116	K	93	Very high	95.3	Very high	36 Å²	36	35.6 Å²	35.6	16%	0.157	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-43.1	172.5	-171.6	-177.5	178.4	-174.7	0	111.7	F63 I92 Q93 R141 V142	F63-K116 HydrophobicContact CB-CD 4.2Å; F63-K116 HydrophobicContact CD1-CB 4.03Å; F63-K116 HydrophobicContact CD2-CB 4.5Å; F63-K116 HydrophobicContact CE1-CB 4.26Å; F63-K116 HydrophobicContact CG-CB 4.15Å; F63-K116 HydrophobicContact CG-CD 4.41Å; I92-K116 PolarHBondContact O-N 2.04Å; Q93-K116 WeakPolarHBondContact O-CB 3.32Å; K116-R141 HydrophobicContact CG-CB 4.21Å; K116-R141 HydrophobicContact CG-CG 3.86Å; K116-R141 PolarHBondContact O-N 2.92Å; K116-V142 PolarHBondContact O-N 2.88Å
117	N	95.5	Very high	95.3	Very high	38 Å²	38	38.6 Å²	38.6	20%	0.203	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	117	-179.6	-58.7	-23.5	0	0	0	111.2	Q93 K94 L95 V115 V142	Q93-N117 PolarHBondContact O-N 2.91Å; K94-N117 CarbonylContact C-O 3.14Å; K94-N117 VanDerWaalsContact CA-O 3.24Å; K94-N117 WeakPolarHBondContact CA-O 3.37Å; K94-N117 HydrophobicContact CB-CB 4.22Å; K94-N117 HydrophobicContact CG-CB 4.49Å; L95-N117 PolarHBondContact N-O 2.96Å; V115-N117 VanDerWaalsContact CG1-C 3.47Å; V115-N117 WeakPolarHBondContact CG1-O 3.41Å; N117-V142 WeakPolarHBondContact CA-O 3.5Å; N117-V142 HydrophobicContact CB-CB 4.19Å; N117-V142 WeakPolarHBondContact OD1-CB 3.5Å; N117-V142 WeakPolarHBondContact OD1-CG2 3.41Å
118	L	96.8	Very high	95.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	128.7	176.7	176.4	62.2	0	0	0	110.2	L95 F110 V115 L120 F133 F136 L140 V142 L143 I144	L95-L118 HydrophobicContact CB-CD1 3.96Å; L95-L118 HydrophobicContact CD2-CD1 3.83Å; L95-L118 HydrophobicContact CG-CD1 3.92Å; F110-L118 HydrophobicContact CE1-CD1 3.99Å; F110-L118 HydrophobicContact CE1-CD2 4.39Å; F110-L118 HydrophobicContact CE2-CD2 3.96Å; F110-L118 HydrophobicContact CZ-CD1 4.07Å; F110-L118 HydrophobicContact CZ-CD2 3.85Å; V115-L118 HydrophobicContact CG1-CB 4.39Å; L118-L120 HydrophobicContact CD1-CD2 4.23Å; L118-L120 HydrophobicContact CD1-CG 4.46Å; L118-F133 HydrophobicContact CD2-CD1 4.14Å; L118-F133 HydrophobicContact CD2-CE1 3.7Å; L118-F136 HydrophobicContact CD2-CD2 4.44Å; L118-F136 HydrophobicContact CD2-CE2 3.71Å; L118-F136 HydrophobicContact CD2-CZ 4.4Å; L118-L140 HydrophobicContact CB-CD1 3.85Å; L118-V142 PolarHBondContact N-O 2.97Å; L118-L143 HydrophobicContact CB-CD1 3.97Å; L118-L143 HydrophobicContact CD2-CD1 3.82Å; L118-L143 HydrophobicContact CG-CD1 3.93Å; L118-L143 WeakPolarHBondContact O-CA 3.48Å; L118-I144 PolarHBondContact O-N 2.75Å
119	I	97.4	Very high	95.4	Very high	3 Å²	3	32 Å²	32	2%	0.015	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	119	178.7	-49.4	-176.9	0	0	0	108.8	L47 K94 L95 W96 I97 E121 I144	L47-I119 HydrophobicContact CD1-CD1 3.3Å; K94-I119 HydrophobicContact CD-CD1 4.25Å; L95-I119 PolarHBondContact O-N 3.36Å; W96-I119 WeakPolarHBondContact CA-O 3.12Å; W96-I119 HydrophobicContact CB-CB 4.35Å; W96-I119 HydrophobicContact CG-CB 4.07Å; W96-I119 HydrophobicContact CG-CD1 4.36Å; W96-I119 HydrophobicContact CG-CG2 4.19Å; I97-I119 PolarHBondContact N-O 3.34Å; I119-E121 HydrophobicContact CG2-CB 4.33Å; I119-I144 CarbonylContact C-O 3.56Å; I119-I144 WeakPolarHBondContact CA-O 3.42Å; I119-I144 HydrophobicContact CB-CB 4.33Å; I119-I144 HydrophobicContact CD1-CD1 4.12Å; I119-I144 HydrophobicContact CG1-CB 4.21Å; I119-I144 HydrophobicContact CG1-CD1 4.15Å; I119-I144 HydrophobicContact CG2-CB 3.96Å; I119-I144 HydrophobicContact CG2-CG2 3.93Å
120	L	97.1	Very high	95.3	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	100.9	168.1	-55.7	-179	0	0	0	107.3	I97 F110 L118 V125 F128 I144 L145 K146 N148	I97-L120 HydrophobicContact CB-CD2 3.68Å; I97-L120 HydrophobicContact CD1-CD2 3.64Å; I97-L120 HydrophobicContact CG1-CD2 4.01Å; I97-L120 HydrophobicContact CG2-CD2 4.47Å; I97-L120 WeakPolarHBondContact O-CA 3.39Å; F110-L120 HydrophobicContact CZ-CD1 4.34Å; F110-L120 HydrophobicContact CZ-CD2 4.4Å; L118-L120 HydrophobicContact CD1-CD2 4.23Å; L118-L120 HydrophobicContact CD1-CG 4.46Å; L120-V125 HydrophobicContact CB-CG2 4.47Å; L120-V125 HydrophobicContact CD1-CG2 4.33Å; L120-F128 HydrophobicContact CD1-CE1 3.94Å; L120-F128 HydrophobicContact CD1-CZ 4.22Å; L120-I144 PolarHBondContact N-O 3.06Å; L120-L145 HydrophobicContact CB-CD2 3.84Å; L120-L145 HydrophobicContact CD1-CD2 3.75Å; L120-L145 HydrophobicContact CG-CD2 3.96Å; L120-L145 CarbonylContact O-C 3.49Å; L120-L145 VanDerWaalsContact O-CA 3.32Å; L120-L145 WeakPolarHBondContact O-CA 3.46Å; L120-K146 PolarHBondContact O-N 2.88Å; L120-N148 PolarHBondContact O-ND2 2.91Å
121	E	97.4	Very high	95.1	Very high	38 Å²	38	37 Å²	37	18%	0.178	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	140.9	-177.1	-174.8	170.3	-167.9	0	0	111.2	I97 W98 D99 I119 S123 K146 N147	I97-E121 PolarHBondContact O-N 3.39Å; W98-E121 WeakPolarHBondContact CA-O 3.46Å; W98-E121 HydrophobicContact CB-CB 4.35Å; D99-E121 PolarHBondContact N-O 2.79Å; I119-E121 HydrophobicContact CG2-CB 4.33Å; E121-S123 PolarHBondContact O-N 2.95Å; E121-S123 PolarHBondContact O-OG 3.09Å; E121-K146 VanDerWaalsContact CA-O 3.26Å; E121-K146 WeakPolarHBondContact CA-O 3.19Å; E121-K146 HydrophobicContact CG-CB 4.33Å; E121-K146 HydrophobicContact CG-CG 4.34Å; E121-K146 IonicContact OE1-NZ 3.47Å; E121-K146 PolarHBondContact OE1-NZ 3.35Å; E121-N147 HydrophobicContact CG-CB 4.47Å
122	S	97.9	Very high	95.3	Very high	41 Å²	41	35 Å²	35	29%	0.287	18%	0.177	S	C	.	.	S	Bend	trans	51.2	32.8	173.2	-56.5	0	0	0	0	113.2	D99 K146 N147	D99-S122 WeakPolarHBondContact CA-O 3.27Å; D99-S122 VanDerWaalsContact OD1-CB 3.31Å; D99-S122 WeakPolarHBondContact OD1-CB 3.37Å; S122-K146 PolarHBondContact N-O 2.72Å; S122-K146 VanDerWaalsContact N-O 3.13Å; S122-N147 WeakPolarHBondContact CA-O 3.49Å; S122-N147 PolarHBondContact N-O 3.43Å
123	S	98	Very high	95.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-109.7	13.2	-167.9	-69.7	0	0	0	0	113.3	S100 I102 E121 V125 N148	S100-S123 CarbonylContact O-C 3.6Å; S100-S123 WeakPolarHBondContact O-CA 3.17Å; I102-S123 PolarHBondContact N-O 3.47Å; E121-S123 PolarHBondContact O-N 2.95Å; E121-S123 PolarHBondContact O-OG 3.09Å; S123-V125 PolarHBondContact O-N 2.79Å; S123-V125 VanDerWaalsContact O-N 3.13Å; S123-N148 WeakPolarHBondContact CA-OD1 3.34Å; S123-N148 PolarHBondContact N-OD1 2.83Å
124	H	97	Very high	95.3	Very high	93 Å²	93	34.7 Å²	34.7	43%	0.431	18%	0.178	S	C	.	.			trans	53.4	30	-178.1	-157.7	74.7	0	0	0	113.5	L101 P103 G126 N148 I149	L101-H124 HydrophobicContact CD1-CB 3.97Å; P103-H124 VanDerWaalsContact CA-O 3.3Å; P103-H124 WeakPolarHBondContact CA-O 3.07Å; H124-G126 PolarHBondContact O-N 2.97Å; H124-N148 PolarHBondContact N-OD1 3.23Å; H124-I149 WeakPolarHBondContact NE2-CD1 3.44Å; H124-I149 WeakPolarHBondContact O-CG1 3.45Å
125	V	97.5	Very high	95.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.185	C	C	.	.			trans	-73.6	117.8	-177.2	-175.1	0	0	0	0	110.6	I102 V105 L120 S123 F128 N148 I149 I150	I102-V125 HydrophobicContact CB-CG2 4.22Å; I102-V125 VanDerWaalsContact O-CA 3.3Å; I102-V125 WeakPolarHBondContact O-CA 3.11Å; I102-V125 WeakPolarHBondContact O-CG2 3.45Å; V105-V125 HydrophobicContact CG2-CG1 3.71Å; V105-V125 HydrophobicContact CG2-CG2 4.49Å; L120-V125 HydrophobicContact CB-CG2 4.47Å; L120-V125 HydrophobicContact CD1-CG2 4.33Å; S123-V125 PolarHBondContact O-N 2.79Å; S123-V125 VanDerWaalsContact O-N 3.13Å; V125-F128 HydrophobicContact CB-CZ 4.41Å; V125-F128 HydrophobicContact CG1-CD2 4.3Å; V125-F128 HydrophobicContact CG1-CE1 3.83Å; V125-F128 HydrophobicContact CG1-CE2 3.55Å; V125-F128 HydrophobicContact CG1-CZ 3.29Å; V125-N148 HydrophobicContact CB-CB 4.09Å; V125-N148 PolarHBondContact N-OD1 2.92Å; V125-N148 VanDerWaalsContact O-CB 3.31Å; V125-N148 WeakPolarHBondContact O-CB 3.45Å; V125-I149 CarbonylContact O-C 3.51Å; V125-I149 PolarHBondContact O-N 3.1Å; V125-I150 WeakPolarHBondContact O-CG1 3.16Å; V125-I150 PolarHBondContact O-N 2.94Å
126	G	95.6	Very high	95.2	Very high	12 Å²	12	35.4 Å²	35.4	12%	0.124	19%	0.185	C	C	.	.			trans	-112.6	-33	179	0	0	0	0	0	113.6	P103 H124	P103-G126 PolarHBondContact O-N 3.25Å; H124-G126 PolarHBondContact O-N 2.97Å
127	Q	94.8	Very high	94.8	Very high	103 Å²	103	35.3 Å²	35.3	48%	0.481	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	142	-173.8	-167.1	176	31	0	0	111.8	P103 V104 V105	P103-Q127 PolarHBondContact O-N 2.95Å; P103-Q127 VanDerWaalsContact O-N 3.15Å; V104-Q127 CarbonylContact C-O 3.53Å; V104-Q127 WeakPolarHBondContact CA-O 3.17Å; V104-Q127 HydrophobicContact CG1-CB 4.48Å; V104-Q127 HydrophobicContact CG2-CB 4.23Å; V105-Q127 PolarHBondContact N-O 2.91Å
128	F	96	Very high	94.3	Very high	21 Å²	21	36.4 Å²	36.4	9%	0.092	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	136	172.2	-64.9	-91.6	0	0	0	109	V105 L120 V125 V132 F133 L145 I150 L157	V105-F128 HydrophobicContact CB-CD1 3.66Å; V105-F128 HydrophobicContact CB-CE1 4.07Å; V105-F128 HydrophobicContact CB-CG 4.5Å; V105-F128 HydrophobicContact CG1-CD1 4.31Å; V105-F128 HydrophobicContact CG2-CD1 3.66Å; V105-F128 HydrophobicContact CG2-CE1 3.57Å; V105-F128 HydrophobicContact CG2-CZ 4.39Å; L120-F128 HydrophobicContact CD1-CE1 3.94Å; L120-F128 HydrophobicContact CD1-CZ 4.22Å; V125-F128 HydrophobicContact CB-CZ 4.41Å; V125-F128 HydrophobicContact CG1-CD2 4.3Å; V125-F128 HydrophobicContact CG1-CE1 3.83Å; V125-F128 HydrophobicContact CG1-CE2 3.55Å; V125-F128 HydrophobicContact CG1-CZ 3.29Å; F128-V132 HydrophobicContact CB-CG1 3.98Å; F128-V132 HydrophobicContact CD1-CG1 3.96Å; F128-V132 HydrophobicContact CG-CG1 4.39Å; F128-F133 HydrophobicContact CD1-CE2 4.21Å; F128-F133 AromaticContact CD1-CZ 3.79Å; F128-F133 HydrophobicContact CD1-CZ 3.79Å; F128-F133 HydrophobicContact CE1-CE1 4.36Å; F128-F133 HydrophobicContact CE1-CE2 4.4Å; F128-F133 AromaticContact CE1-CZ 3.62Å; F128-F133 HydrophobicContact CE1-CZ 3.62Å; F128-F133 HydrophobicContact CZ-CZ 4.21Å; F128-L145 HydrophobicContact CE2-CD1 4.2Å; F128-L145 HydrophobicContact CZ-CD1 3.94Å; F128-L145 HydrophobicContact CZ-CD2 3.88Å; F128-I150 HydrophobicContact CE2-CD1 3.83Å; F128-I150 HydrophobicContact CE2-CG1 4.23Å; F128-I150 HydrophobicContact CZ-CD1 4.41Å; F128-L157 HydrophobicContact CB-CD1 3.43Å; F128-L157 VanDerWaalsContact CB-CD1 3.43Å; F128-L157 HydrophobicContact CB-CD2 3.94Å; F128-L157 HydrophobicContact CB-CG 4.33Å; F128-L157 HydrophobicContact CD2-CD2 3.84Å; F128-L157 HydrophobicContact CG-CD1 4.21Å; F128-L157 HydrophobicContact CG-CD2 4.07Å
129	F	94.9	Very high	94	Very high	104 Å²	104	38.7 Å²	38.7	46%	0.456	21%	0.213	S	C	.	.			trans	-70.3	143.7	169.2	-85.9	-94.4	0	0	0	110.7	V104 V105 Q107 G131 V132	V104-F129 HydrophobicContact CG1-CD2 3.69Å; V104-F129 HydrophobicContact CG1-CE2 3.41Å; V104-F129 VanDerWaalsContact CG1-CE2 3.41Å; V105-F129 PolarHBondContact O-N 3.36Å; Q107-F129 HydrophobicContact CB-CB 4.1Å; F129-G131 PolarHBondContact O-N 3.01Å; F129-V132 WeakPolarHBondContact O-CB 3.37Å; F129-V132 WeakPolarHBondContact O-CG1 3.43Å; F129-V132 PolarHBondContact O-N 3.13Å
130	P	93.2	Very high	93.9	Very high	103 Å²	103	38.6 Å²	38.6	67%	0.669	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	136.3	178.3	-28	35.3	0	0	0	112.9	Q107 V132	Q107-P130 WeakPolarHBondContact CG-O 3.21Å; P130-V132 VanDerWaalsContact C-N 3.32Å; P130-V132 PolarHBondContact O-N 3.03Å
131	G	92.4	Very high	93.8	Very high	8 Å²	8	39.8 Å²	39.8	8%	0.082	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	9.2	178.1	0	0	0	0	0	115.8	F129 F133 K134	F129-G131 PolarHBondContact O-N 3.01Å; G131-F133 PolarHBondContact O-N 2.93Å; G131-K134 WeakPolarHBondContact O-CB 3.33Å; G131-K134 WeakPolarHBondContact O-CG 3.39Å; G131-K134 PolarHBondContact O-N 3.31Å; G131-K134 VanDerWaalsContact O-N 3.08Å
132	V	94.8	Very high	93.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-30.5	177.5	66.4	0	0	0	0	113.8	V105 P106 F110 F128 F129 P130 P135 L157	V105-V132 HydrophobicContact CB-CG2 4.46Å; V105-V132 HydrophobicContact CG1-CG2 3.73Å; P106-V132 WeakPolarHBondContact O-CG2 3.33Å; F110-V132 HydrophobicContact CD2-CG2 3.86Å; F110-V132 HydrophobicContact CE2-CG2 4.04Å; F128-V132 HydrophobicContact CB-CG1 3.98Å; F128-V132 HydrophobicContact CD1-CG1 3.96Å; F128-V132 HydrophobicContact CG-CG1 4.39Å; F129-V132 WeakPolarHBondContact O-CB 3.37Å; F129-V132 WeakPolarHBondContact O-CG1 3.43Å; F129-V132 PolarHBondContact O-N 3.13Å; P130-V132 VanDerWaalsContact C-N 3.32Å; P130-V132 PolarHBondContact O-N 3.03Å; V132-P135 WeakPolarHBondContact O-CD 3.3Å; V132-L157 HydrophobicContact CG1-CD1 3.93Å
133	F	94.6	Very high	93.8	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-1.5	179.6	-58.7	-59	0	0	0	113.9	F110 L118 F128 G131 P135 F136 L143 L157 F158 L161	F110-F133 HydrophobicContact CE2-CE1 4.21Å; L118-F133 HydrophobicContact CD2-CD1 4.14Å; L118-F133 HydrophobicContact CD2-CE1 3.7Å; F128-F133 HydrophobicContact CD1-CE2 4.21Å; F128-F133 AromaticContact CD1-CZ 3.79Å; F128-F133 HydrophobicContact CD1-CZ 3.79Å; F128-F133 HydrophobicContact CE1-CE1 4.36Å; F128-F133 HydrophobicContact CE1-CE2 4.4Å; F128-F133 AromaticContact CE1-CZ 3.62Å; F128-F133 HydrophobicContact CE1-CZ 3.62Å; F128-F133 HydrophobicContact CZ-CZ 4.21Å; G131-F133 PolarHBondContact O-N 2.93Å; F133-P135 VanDerWaalsContact C-N 3.33Å; F133-F136 HydrophobicContact CB-CD2 4.33Å; F133-F136 AromaticContact CD1-CD2 3.99Å; F133-F136 HydrophobicContact CD1-CD2 3.99Å; F133-F136 HydrophobicContact CD1-CE2 4.06Å; F133-F136 WeakPolarHBondContact O-CB 3.3Å; F133-F136 PolarHBondContact O-N 3.15Å; F133-L143 HydrophobicContact CE1-CD1 4.28Å; F133-L143 HydrophobicContact CE1-CD2 4.42Å; F133-L143 HydrophobicContact CE2-CD2 4.39Å; F133-L143 HydrophobicContact CZ-CD1 4.5Å; F133-L143 HydrophobicContact CZ-CD2 4.19Å; F133-L157 HydrophobicContact CD2-CD1 4.21Å; F133-L157 HydrophobicContact CD2-CG 4.19Å; F133-L157 WeakPolarHBondContact CD2-O 3.31Å; F133-L157 HydrophobicContact CE2-CD1 4.07Å; F133-L157 HydrophobicContact CE2-CD2 4.26Å; F133-L157 HydrophobicContact CE2-CG 3.94Å; F133-F158 HydrophobicContact CD2-CD1 4.21Å; F133-F158 HydrophobicContact CD2-CE1 4.47Å; F133-F158 HydrophobicContact CE2-CD1 4.23Å; F133-F158 HydrophobicContact CE2-CE1 4.02Å; F133-L161 HydrophobicContact CB-CD1 4.13Å; F133-L161 HydrophobicContact CB-CD2 4.21Å; F133-L161 HydrophobicContact CB-CG 4.44Å; F133-L161 HydrophobicContact CG-CD1 4.44Å
134	K	91.7	Very high	93.8	Very high	98 Å²	98	37.3 Å²	37.3	43%	0.426	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-54.4	-37.3	178.6	-72.9	-172.6	-178.2	-154.5	0	114.4	G131 F136 A137 E159	G131-K134 WeakPolarHBondContact O-CB 3.33Å; G131-K134 WeakPolarHBondContact O-CG 3.39Å; G131-K134 PolarHBondContact O-N 3.31Å; G131-K134 VanDerWaalsContact O-N 3.08Å; K134-F136 PolarHBondContact O-N 2.95Å; K134-F136 VanDerWaalsContact O-N 3.1Å; K134-A137 WeakPolarHBondContact O-CB 3.07Å; K134-A137 PolarHBondContact O-N 2.88Å; K134-E159 WeakPolarHBondContact CE-OE2 3.36Å; K134-E159 IonicContact NZ-OE1 3.21Å; K134-E159 PolarHBondContact NZ-OE1 3.18Å; K134-E159 IonicContact NZ-OE2 2.8Å; K134-E159 PolarHBondContact NZ-OE2 3.18Å
135	P	91.3	Very high	93.8	Very high	43 Å²	43	32.9 Å²	32.9	28%	0.279	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-57.7	-24	175	-26	35.9	0	0	0	113.8	V132 F133	V132-P135 WeakPolarHBondContact O-CD 3.3Å; F133-P135 VanDerWaalsContact C-N 3.33Å
136	F	91.9	Very high	93.8	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-96.7	5.1	-179.9	-43.9	-45.3	0	0	0	113.6	F110 L113 V115 L118 F133 K134 S138 H139 L140 L161	F110-F136 HydrophobicContact CB-CE1 3.9Å; F110-F136 HydrophobicContact CB-CE2 3.83Å; F110-F136 HydrophobicContact CB-CZ 3.24Å; F110-F136 HydrophobicContact CD1-CE2 4.37Å; F110-F136 AromaticContact CD1-CZ 3.83Å; F110-F136 HydrophobicContact CD1-CZ 3.83Å; F110-F136 AromaticContact CD2-CE2 3.62Å; F110-F136 HydrophobicContact CD2-CE2 3.62Å; F110-F136 AromaticContact CD2-CZ 3.83Å; F110-F136 HydrophobicContact CD2-CZ 3.83Å; F110-F136 HydrophobicContact CE2-CE2 4.26Å; F110-F136 HydrophobicContact CG-CE1 4.45Å; F110-F136 AromaticContact CG-CE2 3.7Å; F110-F136 HydrophobicContact CG-CE2 3.7Å; F110-F136 AromaticContact CG-CZ 3.37Å; F110-F136 HydrophobicContact CG-CZ 3.37Å; L113-F136 HydrophobicContact CB-CE1 4.04Å; V115-F136 HydrophobicContact CB-CD1 3.95Å; V115-F136 HydrophobicContact CB-CE1 3.67Å; V115-F136 HydrophobicContact CB-CZ 4.16Å; V115-F136 HydrophobicContact CG2-CD1 4.18Å; V115-F136 HydrophobicContact CG2-CE1 3.45Å; V115-F136 VanDerWaalsContact CG2-CE1 3.45Å; V115-F136 HydrophobicContact CG2-CZ 3.92Å; L118-F136 HydrophobicContact CD2-CD2 4.44Å; L118-F136 HydrophobicContact CD2-CE2 3.71Å; L118-F136 HydrophobicContact CD2-CZ 4.4Å; F133-F136 HydrophobicContact CB-CD2 4.33Å; F133-F136 AromaticContact CD1-CD2 3.99Å; F133-F136 HydrophobicContact CD1-CD2 3.99Å; F133-F136 HydrophobicContact CD1-CE2 4.06Å; F133-F136 WeakPolarHBondContact O-CB 3.3Å; F133-F136 PolarHBondContact O-N 3.15Å; K134-F136 PolarHBondContact O-N 2.95Å; K134-F136 VanDerWaalsContact O-N 3.1Å; F136-S138 PolarHBondContact O-N 3.48Å; F136-H139 PolarHBondContact O-N 3.45Å; F136-L140 HydrophobicContact CB-CB 3.91Å; F136-L140 HydrophobicContact CB-CD1 4.31Å; F136-L140 HydrophobicContact CB-CD2 4.47Å; F136-L140 HydrophobicContact CB-CG 4.47Å; F136-L140 HydrophobicContact CD2-CD1 4.4Å; F136-L140 HydrophobicContact CD2-CD2 4.38Å; F136-L140 HydrophobicContact CG-CD1 4.4Å; F136-L140 PolarHBondContact O-N 3.26Å; F136-L140 VanDerWaalsContact O-N 3.1Å; F136-L161 HydrophobicContact CB-CD2 4.35Å
137	A	85.3	Confident	93.9	Very high	34 Å²	34	38.8 Å²	38.8	28%	0.281	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	132.7	178.3	0	0	0	0	0	110	K134 H139	K134-A137 WeakPolarHBondContact O-CB 3.07Å; K134-A137 PolarHBondContact O-N 2.88Å; A137-H139 PolarHBondContact O-N 3.46Å; A137-H139 VanDerWaalsContact O-N 3.14Å; A137-H139 PolarHBondContact O-ND1 2.84Å
138	S	84.6	Confident	94.1	Very high	62 Å²	62	34.2 Å²	34.2	43%	0.434	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	-3.4	-175.5	-47.8	0	0	0	0	118	F136 R141 G160 K163	F136-S138 PolarHBondContact O-N 3.48Å; S138-R141 PolarHBondContact O-NH1 3.18Å; S138-R141 VanDerWaalsContact O-NH1 3.11Å; S138-G160 PolarHBondContact N-O 3.41Å; S138-K163 VanDerWaalsContact O-CG 3.32Å; S138-K163 WeakPolarHBondContact O-CG 3.46Å
139	H	91.1	Very high	94.2	Very high	48 Å²	48	35.4 Å²	35.4	22%	0.222	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-37	-177.6	-58.1	90.6	0	0	0	112.9	D59 F63 M114 F136 A137 R141	D59-H139 IonicContact OD1-CD2 3.69Å; F63-H139 HydrophobicContact CZ-CB 4.37Å; M114-H139 WeakPolarHBondContact CE-CE1 3.25Å; M114-H139 WeakPolarHBondContact CE-NE2 3.44Å; F136-H139 PolarHBondContact O-N 3.45Å; A137-H139 PolarHBondContact O-N 3.46Å; A137-H139 VanDerWaalsContact O-N 3.14Å; A137-H139 PolarHBondContact O-ND1 2.84Å; H139-R141 PolarHBondContact O-N 2.95Å; H139-R141 PolarHBondContact O-NH1 3.24Å
140	L	94.8	Very high	94.3	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.172	C	C	.	.			trans	-62.8	126.6	-177.4	-154.6	66.9	0	0	0	111.1	V115 L118 F136 L143 L161 K163 L164	V115-L140 HydrophobicContact CG1-CD1 4.49Å; V115-L140 WeakPolarHBondContact O-CD1 3.42Å; L118-L140 HydrophobicContact CB-CD1 3.85Å; F136-L140 HydrophobicContact CB-CB 3.91Å; F136-L140 HydrophobicContact CB-CD1 4.31Å; F136-L140 HydrophobicContact CB-CD2 4.47Å; F136-L140 HydrophobicContact CB-CG 4.47Å; F136-L140 HydrophobicContact CD2-CD1 4.4Å; F136-L140 HydrophobicContact CD2-CD2 4.38Å; F136-L140 HydrophobicContact CG-CD1 4.4Å; F136-L140 PolarHBondContact O-N 3.26Å; F136-L140 VanDerWaalsContact O-N 3.1Å; L140-L143 HydrophobicContact CD2-CB 4.01Å; L140-L143 HydrophobicContact CD2-CD1 4.37Å; L140-L143 HydrophobicContact CD2-CD2 4.21Å; L140-L143 HydrophobicContact CD2-CG 4.44Å; L140-L161 HydrophobicContact CB-CD2 4.06Å; L140-L161 HydrophobicContact CD2-CD1 4Å; L140-L161 HydrophobicContact CD2-CD2 4.16Å; L140-K163 CarbonylContact O-C 3.52Å; L140-K163 VanDerWaalsContact O-C 3.3Å; L140-L164 HydrophobicContact CB-CD1 4.4Å; L140-L164 HydrophobicContact CD2-CD1 4.07Å; L140-L164 HydrophobicContact CG-CD1 4.03Å; L140-L164 WeakPolarHBondContact O-CA 3.28Å; L140-L164 PolarHBondContact O-N 3.28Å
141	R	95.2	Very high	94.5	Very high	26 Å²	26	32.3 Å²	32.3	10%	0.098	17%	0.166	C	C	.	.			trans	-111.5	-37.9	176.9	-62.8	-57.9	-168.4	-86.3	-1.3	111.7	D59 K116 S138 H139 K163 K165 V166	D59-R141 IonicContact OD2-CZ 2.62Å; D59-R141 IonicContact OD2-NH1 3.91Å; D59-R141 IonicContact OD2-NH2 2.79Å; D59-R141 PolarHBondContact OD2-NH2 3.33Å; K116-R141 HydrophobicContact CG-CB 4.21Å; K116-R141 HydrophobicContact CG-CG 3.86Å; K116-R141 PolarHBondContact O-N 2.92Å; S138-R141 PolarHBondContact O-NH1 3.18Å; S138-R141 VanDerWaalsContact O-NH1 3.11Å; H139-R141 PolarHBondContact O-N 2.95Å; H139-R141 PolarHBondContact O-NH1 3.24Å; R141-K163 WeakPolarHBondContact CD-O 3.38Å; R141-K165 PolarHBondContact O-N 3.46Å; R141-V166 PolarHBondContact O-N 3.3Å
142	V	97.3	Very high	94.5	Very high	13 Å²	13	39.4 Å²	39.4	8%	0.079	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	126.5	-178.9	179.6	0	0	0	0	109.3	M49 K116 N117 L118 I144 V166	M49-V142 HydrophobicContact CE-CG1 4.4Å; M49-V142 HydrophobicContact CE-CG2 4.48Å; K116-V142 PolarHBondContact O-N 2.88Å; N117-V142 WeakPolarHBondContact CA-O 3.5Å; N117-V142 HydrophobicContact CB-CB 4.19Å; N117-V142 WeakPolarHBondContact OD1-CB 3.5Å; N117-V142 WeakPolarHBondContact OD1-CG2 3.41Å; L118-V142 PolarHBondContact N-O 2.97Å; V142-I144 HydrophobicContact CG1-CD1 4Å; V142-I144 HydrophobicContact CG1-CG1 3.87Å; V142-V166 HydrophobicContact CB-CB 4.48Å; V142-V166 HydrophobicContact CG1-CB 4.22Å; V142-V166 HydrophobicContact CG1-CG1 4.42Å; V142-V166 HydrophobicContact CG2-CB 4.18Å; V142-V166 HydrophobicContact CG2-CG2 4.3Å
143	L	97.3	Very high	94.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	112.8	172.9	179.7	54.8	0	0	0	109.1	L118 F133 L140 L145 F158 L161 L164 V166 L167 D168	L118-L143 HydrophobicContact CB-CD1 3.97Å; L118-L143 HydrophobicContact CD2-CD1 3.82Å; L118-L143 HydrophobicContact CG-CD1 3.93Å; L118-L143 WeakPolarHBondContact O-CA 3.48Å; F133-L143 HydrophobicContact CE1-CD1 4.28Å; F133-L143 HydrophobicContact CE1-CD2 4.42Å; F133-L143 HydrophobicContact CE2-CD2 4.39Å; F133-L143 HydrophobicContact CZ-CD1 4.5Å; F133-L143 HydrophobicContact CZ-CD2 4.19Å; L140-L143 HydrophobicContact CD2-CB 4.01Å; L140-L143 HydrophobicContact CD2-CD1 4.37Å; L140-L143 HydrophobicContact CD2-CD2 4.21Å; L140-L143 HydrophobicContact CD2-CG 4.44Å; L143-L145 HydrophobicContact CD1-CD1 4.45Å; L143-L145 HydrophobicContact CD1-CD2 3.82Å; L143-L145 HydrophobicContact CD1-CG 3.98Å; L143-L145 HydrophobicContact CD2-CD1 4.28Å; L143-L145 HydrophobicContact CG-CD1 4.26Å; L143-L145 HydrophobicContact CG-CD2 4.42Å; L143-L145 HydrophobicContact CG-CG 4.03Å; L143-F158 HydrophobicContact CD2-CD1 3.9Å; L143-F158 HydrophobicContact CD2-CE1 3.61Å; L143-L161 HydrophobicContact CD2-CD1 4.44Å; L143-L164 HydrophobicContact CB-CD1 3.76Å; L143-L164 HydrophobicContact CB-CD2 4.42Å; L143-V166 PolarHBondContact N-O 3.42Å; L143-L167 HydrophobicContact CB-CD1 4.14Å; L143-L167 HydrophobicContact CD2-CD1 4.05Å; L143-L167 HydrophobicContact CG-CD1 4.01Å; L143-L167 WeakPolarHBondContact O-CA 3.26Å; L143-D168 PolarHBondContact O-N 3.14Å
144	I	97.9	Very high	94.4	Very high	13 Å²	13	41.4 Å²	41.4	7%	0.067	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	119	177.7	-62.1	173.7	0	0	0	107.7	L47 L118 I119 L120 V142 K146 D168	L47-I144 HydrophobicContact CD1-CD1 3.78Å; L47-I144 HydrophobicContact CD2-CD1 3.91Å; L118-I144 PolarHBondContact O-N 2.75Å; I119-I144 CarbonylContact C-O 3.56Å; I119-I144 WeakPolarHBondContact CA-O 3.42Å; I119-I144 HydrophobicContact CB-CB 4.33Å; I119-I144 HydrophobicContact CD1-CD1 4.12Å; I119-I144 HydrophobicContact CG1-CB 4.21Å; I119-I144 HydrophobicContact CG1-CD1 4.15Å; I119-I144 HydrophobicContact CG2-CB 3.96Å; I119-I144 HydrophobicContact CG2-CG2 3.93Å; L120-I144 PolarHBondContact N-O 3.06Å; V142-I144 HydrophobicContact CG1-CD1 4Å; V142-I144 HydrophobicContact CG1-CG1 3.87Å; I144-K146 HydrophobicContact CG2-CB 3.79Å; I144-D168 HydrophobicContact CB-CB 4.29Å; I144-D168 HydrophobicContact CG1-CB 3.99Å; I144-D168 HydrophobicContact CG2-CB 4.15Å
145	L	97.7	Very high	94.4	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	19%	0.187	C	C	.	.			trans	-120.5	33.1	179.9	-61.9	-179.3	0	0	0	110.6	L120 F128 L143 N148 I150 D168 L169 N172	L120-L145 HydrophobicContact CB-CD2 3.84Å; L120-L145 HydrophobicContact CD1-CD2 3.75Å; L120-L145 HydrophobicContact CG-CD2 3.96Å; L120-L145 CarbonylContact O-C 3.49Å; L120-L145 VanDerWaalsContact O-CA 3.32Å; L120-L145 WeakPolarHBondContact O-CA 3.46Å; F128-L145 HydrophobicContact CE2-CD1 4.2Å; F128-L145 HydrophobicContact CZ-CD1 3.94Å; F128-L145 HydrophobicContact CZ-CD2 3.88Å; L143-L145 HydrophobicContact CD1-CD1 4.45Å; L143-L145 HydrophobicContact CD1-CD2 3.82Å; L143-L145 HydrophobicContact CD1-CG 3.98Å; L143-L145 HydrophobicContact CD2-CD1 4.28Å; L143-L145 HydrophobicContact CG-CD1 4.26Å; L143-L145 HydrophobicContact CG-CD2 4.42Å; L143-L145 HydrophobicContact CG-CG 4.03Å; L145-N148 PolarHBondContact O-ND2 3.02Å; L145-I150 HydrophobicContact CB-CD1 3.8Å; L145-I150 HydrophobicContact CD1-CD1 3.91Å; L145-I150 HydrophobicContact CG-CD1 4.43Å; L145-D168 PolarHBondContact N-O 3.49Å; L145-L169 HydrophobicContact CB-CD2 4.05Å; L145-L169 HydrophobicContact CD1-CD2 4.02Å; L145-N172 PolarHBondContact O-ND2 3.41Å
146	K	97.7	Very high	94.4	Very high	66 Å²	66	42.5 Å²	42.5	29%	0.287	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	148.1	-170.7	172.6	171.9	173.1	-124.5	0	113.6	L120 E121 S122 I144 N148 S170	L120-K146 PolarHBondContact O-N 2.88Å; E121-K146 VanDerWaalsContact CA-O 3.26Å; E121-K146 WeakPolarHBondContact CA-O 3.19Å; E121-K146 HydrophobicContact CG-CB 4.33Å; E121-K146 HydrophobicContact CG-CG 4.34Å; E121-K146 IonicContact OE1-NZ 3.47Å; E121-K146 PolarHBondContact OE1-NZ 3.35Å; S122-K146 PolarHBondContact N-O 2.72Å; S122-K146 VanDerWaalsContact N-O 3.13Å; I144-K146 HydrophobicContact CG2-CB 3.79Å; K146-N148 VanDerWaalsContact C-N 3.33Å; K146-N148 PolarHBondContact O-N 2.84Å; K146-N148 PolarHBondContact O-ND2 2.93Å; K146-N148 VanDerWaalsContact O-ND2 3.07Å; K146-S170 CarbonylContact C-O 3.54Å; K146-S170 WeakPolarHBondContact CA-O 3.37Å; K146-S170 WeakPolarHBondContact CD-OG 3.22Å; K146-S170 VanDerWaalsContact CG-OG 3.29Å; K146-S170 WeakPolarHBondContact CG-OG 3.45Å
147	N	98.3	Very high	94.4	Very high	70 Å²	70	44 Å²	44	37%	0.374	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	42.5	173.1	-66	-18.3	0	0	0	113.4	E121 S122 S170 G171	E121-N147 HydrophobicContact CG-CB 4.47Å; S122-N147 WeakPolarHBondContact CA-O 3.49Å; S122-N147 PolarHBondContact N-O 3.43Å; N147-S170 PolarHBondContact N-O 3.33Å; N147-G171 CarbonylContact C-O 3.51Å; N147-G171 WeakPolarHBondContact CA-O 3.26Å
148	N	98.4	Very high	94.7	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.037	20%	0.201	C	C	.	.	S	Bend	trans	-112.7	-162.3	175.6	-70.5	-69.6	0	0	0	110.5	L120 S123 H124 V125 L145 K146 I150 G171 N172	L120-N148 PolarHBondContact O-ND2 2.91Å; S123-N148 WeakPolarHBondContact CA-OD1 3.34Å; S123-N148 PolarHBondContact N-OD1 2.83Å; H124-N148 PolarHBondContact N-OD1 3.23Å; V125-N148 HydrophobicContact CB-CB 4.09Å; V125-N148 PolarHBondContact N-OD1 2.92Å; V125-N148 VanDerWaalsContact O-CB 3.31Å; V125-N148 WeakPolarHBondContact O-CB 3.45Å; L145-N148 PolarHBondContact O-ND2 3.02Å; K146-N148 VanDerWaalsContact C-N 3.33Å; K146-N148 PolarHBondContact O-N 2.84Å; K146-N148 PolarHBondContact O-ND2 2.93Å; K146-N148 VanDerWaalsContact O-ND2 3.07Å; N148-I150 HydrophobicContact CB-CG1 4.32Å; N148-G171 PolarHBondContact N-O 2.98Å; N148-N172 WeakPolarHBondContact CA-OD1 3.36Å; N148-N172 VanDerWaalsContact CB-OD1 3.24Å; N148-N172 WeakPolarHBondContact CB-OD1 3.2Å; N148-N172 PolarHBondContact N-OD1 3.34Å; N148-N172 PolarHBondContact O-OD1 3.11Å
149	I	97.7	Very high	95	Very high	45 Å²	45	43.3 Å²	43.3	23%	0.231	20%	0.198	C	C	.	.			trans	-118.6	33.1	-179.2	56.4	154.9	0	0	0	110.9	H124 V125 Y151 N172	H124-I149 WeakPolarHBondContact NE2-CD1 3.44Å; H124-I149 WeakPolarHBondContact O-CG1 3.45Å; V125-I149 CarbonylContact O-C 3.51Å; V125-I149 PolarHBondContact O-N 3.1Å; I149-Y151 PolarHBondContact O-N 2.89Å; I149-N172 PolarHBondContact N-OD1 2.91Å
150	I	97.6	Very high	94.9	Very high	7 Å²	7	42.3 Å²	42.3	4%	0.036	20%	0.2	C	C	.	.			trans	-69.8	120.3	177.6	-56.3	171.7	0	0	0	108.1	V125 F128 L145 N148 R152 L169 N172 Q173 L174	V125-I150 WeakPolarHBondContact O-CG1 3.16Å; V125-I150 PolarHBondContact O-N 2.94Å; F128-I150 HydrophobicContact CE2-CD1 3.83Å; F128-I150 HydrophobicContact CE2-CG1 4.23Å; F128-I150 HydrophobicContact CZ-CD1 4.41Å; L145-I150 HydrophobicContact CB-CD1 3.8Å; L145-I150 HydrophobicContact CD1-CD1 3.91Å; L145-I150 HydrophobicContact CG-CD1 4.43Å; N148-I150 HydrophobicContact CB-CG1 4.32Å; I150-R152 WeakPolarHBondContact CG2-O 3.08Å; I150-L169 HydrophobicContact CD1-CD2 3.92Å; I150-N172 HydrophobicContact CB-CB 4.23Å; I150-N172 VanDerWaalsContact CB-OD1 3.31Å; I150-N172 WeakPolarHBondContact CB-OD1 3.35Å; I150-N172 WeakPolarHBondContact CG1-OD1 3.28Å; I150-N172 PolarHBondContact N-OD1 3.38Å; I150-Q173 CarbonylContact O-C 3.55Å; I150-Q173 WeakPolarHBondContact O-CA 3.24Å; I150-Q173 PolarHBondContact O-N 2.85Å; I150-L174 HydrophobicContact CG2-CD2 4.03Å; I150-L174 PolarHBondContact O-N 3.08Å
151	Y	96.1	Very high	94.8	Very high	135 Å²	135	42.3 Å²	42.3	53%	0.529	20%	0.2	S	C	.	.			trans	-106.2	-13	-176.3	61.8	-88.9	0	0	0	113.4	I149	I149-Y151 PolarHBondContact O-N 2.89Å
152	R	93.9	Very high	94.6	Very high	157 Å²	157	43.4 Å²	43.4	59%	0.592	21%	0.212	S	C	*	.			trans	-149	145.7	176.4	179	174.3	170.5	177.7	-5.7	110.7	I150 D154	I150-R152 WeakPolarHBondContact CG2-O 3.08Å; R152-D154 IonicContact CZ-OD2 3.38Å; R152-D154 IonicContact NE-OD2 3.57Å; R152-D154 IonicContact NH2-OD2 2.9Å; R152-D154 PolarHBondContact NH2-OD2 3.21Å
153	V	92.5	Very high	94.4	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.03	23%	0.228	C	C	.	.			trans	-117.1	133.5	169.6	-175.8	0	0	0	0	108.1	F158 L169 L174 F182	V153-F158 HydrophobicContact CG1-CD2 4.49Å; V153-F158 HydrophobicContact CG1-CE2 3.58Å; V153-F158 HydrophobicContact CG1-CZ 4.17Å; V153-L169 HydrophobicContact CG2-CD1 3.8Å; V153-L169 HydrophobicContact CG2-CD2 4.33Å; V153-L174 HydrophobicContact CG2-CD1 3.85Å; V153-L174 HydrophobicContact CG2-CD2 3.66Å; V153-L174 HydrophobicContact CG2-CG 4.42Å; V153-F182 HydrophobicContact CG1-CE1 4.13Å
154	D	93.4	Very high	94.4	Very high	39 Å²	39	47.4 Å²	47.4	21%	0.209	23%	0.228	C	C	.	.			trans	-128.8	136.8	169.4	-154.2	-63	0	0	0	109.1	R152 E156 L157 F158 S180	R152-D154 IonicContact CZ-OD2 3.38Å; R152-D154 IonicContact NE-OD2 3.57Å; R152-D154 IonicContact NH2-OD2 2.9Å; R152-D154 PolarHBondContact NH2-OD2 3.21Å; D154-E156 PolarHBondContact O-N 2.79Å; D154-E156 PolarHBondContact OD1-N 2.88Å; D154-L157 VanDerWaalsContact O-CB 3.32Å; D154-L157 WeakPolarHBondContact O-CB 3.47Å; D154-L157 PolarHBondContact O-N 3.25Å; D154-L157 VanDerWaalsContact O-N 3.11Å; D154-F158 WeakPolarHBondContact O-CD2 3.46Å; D154-S180 PolarHBondContact OD2-OG 2.76Å
155	S	92.6	Very high	94.3	Very high	18 Å²	18	49.2 Å²	49.2	13%	0.126	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-61.2	-27.7	-174.9	68	0	0	0	0	113.8	L157 F158 S180 S181	S155-L157 PolarHBondContact O-N 3.45Å; S155-F158 PolarHBondContact O-N 3.43Å; S155-S180 WeakPolarHBondContact CB-O 3.42Å; S155-S180 PolarHBondContact N-O 3.27Å; S155-S180 PolarHBondContact OG-O 3.03Å; S155-S181 PolarHBondContact N-O 3.36Å
156	E	92.1	Very high	94.4	Very high	145 Å²	145	49.8 Å²	49.8	68%	0.678	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-61.7	-28.6	176.9	-66.4	-176.4	175.8	0	0	112.7	D154 F158 E159	D154-E156 PolarHBondContact O-N 2.79Å; D154-E156 PolarHBondContact OD1-N 2.88Å; E156-F158 PolarHBondContact O-N 2.76Å; E156-E159 WeakPolarHBondContact O-CB 3.42Å; E156-E159 PolarHBondContact O-N 3.43Å
157	L	91	Very high	94.4	Very high	32 Å²	32	46.7 Å²	46.7	17%	0.168	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-61.2	-30.1	176.1	175.4	59.3	0	0	0	111.8	F128 V132 F133 D154 S155	F128-L157 HydrophobicContact CB-CD1 3.43Å; F128-L157 VanDerWaalsContact CB-CD1 3.43Å; F128-L157 HydrophobicContact CB-CD2 3.94Å; F128-L157 HydrophobicContact CB-CG 4.33Å; F128-L157 HydrophobicContact CD2-CD2 3.84Å; F128-L157 HydrophobicContact CG-CD1 4.21Å; F128-L157 HydrophobicContact CG-CD2 4.07Å; V132-L157 HydrophobicContact CG1-CD1 3.93Å; F133-L157 HydrophobicContact CD2-CD1 4.21Å; F133-L157 HydrophobicContact CD2-CG 4.19Å; F133-L157 WeakPolarHBondContact CD2-O 3.31Å; F133-L157 HydrophobicContact CE2-CD1 4.07Å; F133-L157 HydrophobicContact CE2-CD2 4.26Å; F133-L157 HydrophobicContact CE2-CG 3.94Å; D154-L157 VanDerWaalsContact O-CB 3.32Å; D154-L157 WeakPolarHBondContact O-CB 3.47Å; D154-L157 PolarHBondContact O-N 3.25Å; D154-L157 VanDerWaalsContact O-N 3.11Å; S155-L157 PolarHBondContact O-N 3.45Å
158	F	92.5	Very high	94.4	Very high	3 Å²	3	44.5 Å²	44.5	1%	0.013	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-104.5	20.4	-173.9	-53.8	-90.4	0	0	0	112.3	F133 L143 V153 D154 S155 E156 G160 L161 L167 F186	F133-F158 HydrophobicContact CD2-CD1 4.21Å; F133-F158 HydrophobicContact CD2-CE1 4.47Å; F133-F158 HydrophobicContact CE2-CD1 4.23Å; F133-F158 HydrophobicContact CE2-CE1 4.02Å; L143-F158 HydrophobicContact CD2-CD1 3.9Å; L143-F158 HydrophobicContact CD2-CE1 3.61Å; V153-F158 HydrophobicContact CG1-CD2 4.49Å; V153-F158 HydrophobicContact CG1-CE2 3.58Å; V153-F158 HydrophobicContact CG1-CZ 4.17Å; D154-F158 WeakPolarHBondContact O-CD2 3.46Å; S155-F158 PolarHBondContact O-N 3.43Å; E156-F158 PolarHBondContact O-N 2.76Å; F158-G160 PolarHBondContact O-N 2.83Å; F158-L161 HydrophobicContact CB-CD1 3.95Å; F158-L161 HydrophobicContact CB-CG 4.43Å; F158-L161 HydrophobicContact CD1-CD1 3.88Å; F158-L161 HydrophobicContact CG-CD1 4.41Å; F158-L161 WeakPolarHBondContact O-CB 3.33Å; F158-L161 WeakPolarHBondContact O-CG 3.02Å; F158-L161 PolarHBondContact O-N 3.07Å; F158-L161 VanDerWaalsContact O-N 3.12Å; F158-L167 HydrophobicContact CE1-CD1 4.4Å; F158-F186 HydrophobicContact CB-CE1 4.03Å; F158-F186 HydrophobicContact CB-CE2 4.06Å; F158-F186 HydrophobicContact CB-CZ 3.49Å; F158-F186 VanDerWaalsContact CB-CZ 3.49Å; F158-F186 HydrophobicContact CD1-CE1 4.24Å; F158-F186 AromaticContact CD1-CZ 3.88Å; F158-F186 HydrophobicContact CD1-CZ 3.88Å; F158-F186 AromaticContact CD2-CE2 3.99Å; F158-F186 HydrophobicContact CD2-CE2 3.99Å; F158-F186 AromaticContact CD2-CZ 3.46Å; F158-F186 HydrophobicContact CD2-CZ 3.46Å; F158-F186 VanDerWaalsContact CD2-CZ 3.46Å; F158-F186 HydrophobicContact CE1-CZ 4.46Å; F158-F186 HydrophobicContact CE2-CZ 4.13Å; F158-F186 HydrophobicContact CG-CE1 4.02Å; F158-F186 HydrophobicContact CG-CE2 4.14Å; F158-F186 AromaticContact CG-CZ 3.32Å; F158-F186 HydrophobicContact CG-CZ 3.32Å
159	E	91.1	Very high	94.4	Very high	79 Å²	79	44.2 Å²	44.2	37%	0.369	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	125.6	177	-171.1	-164.9	152.4	0	0	111.4	K134 E156 L161 Y185	K134-E159 WeakPolarHBondContact CE-OE2 3.36Å; K134-E159 IonicContact NZ-OE1 3.21Å; K134-E159 PolarHBondContact NZ-OE1 3.18Å; K134-E159 IonicContact NZ-OE2 2.8Å; K134-E159 PolarHBondContact NZ-OE2 3.18Å; E156-E159 WeakPolarHBondContact O-CB 3.42Å; E156-E159 PolarHBondContact O-N 3.43Å; E159-L161 PolarHBondContact O-N 3.34Å; E159-Y185 HydrophobicContact CB-CE2 4.4Å; E159-Y185 HydrophobicContact CG-CE1 4.16Å; E159-Y185 HydrophobicContact CG-CE2 4.34Å
160	G	87.9	Confident	94.4	Very high	26 Å²	26	42.2 Å²	42.2	27%	0.268	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	0.1	176	0	0	0	0	0	116.1	S138 F158 S162	S138-G160 PolarHBondContact N-O 3.41Å; F158-G160 PolarHBondContact O-N 2.83Å; G160-S162 PolarHBondContact O-N 2.9Å
161	L	93	Very high	94.5	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	21%	0.21	C	C	.	.			trans	-78.4	44.2	176	-59.5	-172.4	0	0	0	113.4	F133 F136 L140 L143 F158 E159 K163 L164	F133-L161 HydrophobicContact CB-CD1 4.13Å; F133-L161 HydrophobicContact CB-CD2 4.21Å; F133-L161 HydrophobicContact CB-CG 4.44Å; F133-L161 HydrophobicContact CG-CD1 4.44Å; F136-L161 HydrophobicContact CB-CD2 4.35Å; L140-L161 HydrophobicContact CB-CD2 4.06Å; L140-L161 HydrophobicContact CD2-CD1 4Å; L140-L161 HydrophobicContact CD2-CD2 4.16Å; L143-L161 HydrophobicContact CD2-CD1 4.44Å; F158-L161 HydrophobicContact CB-CD1 3.95Å; F158-L161 HydrophobicContact CB-CG 4.43Å; F158-L161 HydrophobicContact CD1-CD1 3.88Å; F158-L161 HydrophobicContact CG-CD1 4.41Å; F158-L161 WeakPolarHBondContact O-CB 3.33Å; F158-L161 WeakPolarHBondContact O-CG 3.02Å; F158-L161 PolarHBondContact O-N 3.07Å; F158-L161 VanDerWaalsContact O-N 3.12Å; E159-L161 PolarHBondContact O-N 3.34Å; L161-K163 PolarHBondContact O-N 3.4Å; L161-L164 HydrophobicContact CB-CB 4.26Å; L161-L164 WeakPolarHBondContact O-CB 3.47Å; L161-L164 PolarHBondContact O-N 3.13Å
162	S	91	Very high	94.6	Very high	49 Å²	49	36.8 Å²	36.8	34%	0.343	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-8.3	-174.3	60.8	0	0	0	0	115.4	G160 S188	G160-S162 PolarHBondContact O-N 2.9Å; S162-S188 VanDerWaalsContact O-CB 3.23Å; S162-S188 WeakPolarHBondContact O-CB 3.36Å; S162-S188 PolarHBondContact O-OG 3.39Å
163	K	93.7	Very high	94.8	Very high	96 Å²	96	34 Å²	34	42%	0.417	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	1	177.2	-62.8	-62.7	-172.6	179.7	0	113.5	S138 L140 R141 L161 K165	S138-K163 VanDerWaalsContact O-CG 3.32Å; S138-K163 WeakPolarHBondContact O-CG 3.46Å; L140-K163 CarbonylContact O-C 3.52Å; L140-K163 VanDerWaalsContact O-C 3.3Å; R141-K163 WeakPolarHBondContact CD-O 3.38Å; L161-K163 PolarHBondContact O-N 3.4Å; K163-K165 PolarHBondContact O-N 3.35Å
164	L	95.9	Very high	95	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.179	C	C	.	.			trans	-62.6	127.7	-179.9	-166.6	72.6	0	0	0	109.9	L140 L143 L161 L167 F186 S188 L189	L140-L164 HydrophobicContact CB-CD1 4.4Å; L140-L164 HydrophobicContact CD2-CD1 4.07Å; L140-L164 HydrophobicContact CG-CD1 4.03Å; L140-L164 WeakPolarHBondContact O-CA 3.28Å; L140-L164 PolarHBondContact O-N 3.28Å; L143-L164 HydrophobicContact CB-CD1 3.76Å; L143-L164 HydrophobicContact CB-CD2 4.42Å; L161-L164 HydrophobicContact CB-CB 4.26Å; L161-L164 WeakPolarHBondContact O-CB 3.47Å; L161-L164 PolarHBondContact O-N 3.13Å; L164-L167 HydrophobicContact CD2-CB 4.16Å; L164-F186 HydrophobicContact CD2-CD1 4.01Å; L164-F186 HydrophobicContact CD2-CE1 3.69Å; L164-S188 CarbonylContact O-C 3.59Å; L164-S188 VanDerWaalsContact O-C 3.28Å; L164-L189 HydrophobicContact CD2-CD1 4.06Å; L164-L189 HydrophobicContact CG-CD1 4.06Å; L164-L189 WeakPolarHBondContact O-CA 3.49Å; L164-L189 PolarHBondContact O-N 3.04Å
165	K	97.4	Very high	95.2	Very high	51 Å²	51	34.7 Å²	34.7	22%	0.222	19%	0.189	C	C	.	.			trans	-107.9	-34.4	179.8	-64.1	-51.2	-166.4	176.5	0	112	R141 K163 S188 K190 T191	R141-K165 PolarHBondContact O-N 3.46Å; K163-K165 PolarHBondContact O-N 3.35Å; K165-S188 WeakPolarHBondContact CD-O 3.36Å; K165-S188 PolarHBondContact NZ-O 3.33Å; K165-S188 VanDerWaalsContact NZ-O 3.08Å; K165-K190 HydrophobicContact CD-CD 4.5Å; K165-K190 HydrophobicContact CD-CG 4.31Å; K165-K190 PolarHBondContact O-N 2.92Å; K165-T191 PolarHBondContact O-N 3.31Å
166	V	98.4	Very high	95.4	Very high	14 Å²	14	38.2 Å²	38.2	9%	0.085	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	127.5	-178.5	-177.2	0	0	0	0	110.1	M49 R141 V142 L143 T191	M49-V166 HydrophobicContact CE-CB 4.12Å; M49-V166 HydrophobicContact CE-CG1 3.78Å; M49-V166 HydrophobicContact CE-CG2 3.74Å; M49-V166 HydrophobicContact SD-CG2 3.93Å; R141-V166 PolarHBondContact O-N 3.3Å; V142-V166 HydrophobicContact CB-CB 4.48Å; V142-V166 HydrophobicContact CG1-CB 4.22Å; V142-V166 HydrophobicContact CG1-CG1 4.42Å; V142-V166 HydrophobicContact CG2-CB 4.18Å; V142-V166 HydrophobicContact CG2-CG2 4.3Å; L143-V166 PolarHBondContact N-O 3.42Å; V166-T191 WeakPolarHBondContact CA-O 3.26Å; V166-T191 HydrophobicContact CG1-CG2 4.34Å
167	L	97.8	Very high	95.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	116	169.8	178.4	58.9	0	0	0	108.8	L143 F158 L164 L169 F182 F186 L189 T191 L192 N193	L143-L167 HydrophobicContact CB-CD1 4.14Å; L143-L167 HydrophobicContact CD2-CD1 4.05Å; L143-L167 HydrophobicContact CG-CD1 4.01Å; L143-L167 WeakPolarHBondContact O-CA 3.26Å; F158-L167 HydrophobicContact CE1-CD1 4.4Å; L164-L167 HydrophobicContact CD2-CB 4.16Å; L167-L169 HydrophobicContact CD1-CD1 4.25Å; L167-L169 HydrophobicContact CD1-CG 4.08Å; L167-L169 HydrophobicContact CD2-CD1 3.76Å; L167-L169 HydrophobicContact CD2-CG 4.46Å; L167-L169 HydrophobicContact CG-CD1 3.91Å; L167-L169 HydrophobicContact CG-CG 4.1Å; L167-F182 HydrophobicContact CD2-CD1 4.46Å; L167-F182 HydrophobicContact CD2-CE1 3.93Å; L167-F186 HydrophobicContact CD2-CE1 3.73Å; L167-F186 HydrophobicContact CD2-CZ 3.96Å; L167-L189 HydrophobicContact CB-CD1 3.84Å; L167-L189 HydrophobicContact CB-CD2 4.29Å; L167-T191 PolarHBondContact N-O 2.85Å; L167-L192 HydrophobicContact CB-CD1 4.1Å; L167-L192 HydrophobicContact CD2-CD1 3.96Å; L167-L192 HydrophobicContact CG-CD1 4.03Å; L167-L192 WeakPolarHBondContact O-CA 3.32Å; L167-N193 PolarHBondContact O-N 3.33Å
168	D	98.5	Very high	95.8	Very high	25 Å²	25	30.5 Å²	30.5	13%	0.134	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	114.2	174.2	-168.2	-26	0	0	0	109.7	L143 I144 L145 S170 N193	L143-D168 PolarHBondContact O-N 3.14Å; I144-D168 HydrophobicContact CB-CB 4.29Å; I144-D168 HydrophobicContact CG1-CB 3.99Å; I144-D168 HydrophobicContact CG2-CB 4.15Å; L145-D168 PolarHBondContact N-O 3.49Å; D168-S170 WeakPolarHBondContact OD1-CB 3.2Å; D168-S170 PolarHBondContact OD1-N 2.9Å; D168-S170 PolarHBondContact OD1-OG 2.81Å; D168-N193 HydrophobicContact CB-CB 4.27Å; D168-N193 PolarHBondContact OD1-ND2 3.27Å; D168-N193 PolarHBondContact OD2-ND2 3.11Å
169	L	98.3	Very high	95.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.194	C	C	.	.			trans	-116.2	21	177.2	-76	160.8	0	0	0	110.8	L145 I150 V153 L167 N172 L174 F182 N193 L194 N197	L145-L169 HydrophobicContact CB-CD2 4.05Å; L145-L169 HydrophobicContact CD1-CD2 4.02Å; I150-L169 HydrophobicContact CD1-CD2 3.92Å; V153-L169 HydrophobicContact CG2-CD1 3.8Å; V153-L169 HydrophobicContact CG2-CD2 4.33Å; L167-L169 HydrophobicContact CD1-CD1 4.25Å; L167-L169 HydrophobicContact CD1-CG 4.08Å; L167-L169 HydrophobicContact CD2-CD1 3.76Å; L167-L169 HydrophobicContact CD2-CG 4.46Å; L167-L169 HydrophobicContact CG-CD1 3.91Å; L167-L169 HydrophobicContact CG-CG 4.1Å; L169-N172 VanDerWaalsContact C-ND2 3.35Å; L169-N172 WeakPolarHBondContact O-CB 3.24Å; L169-N172 PolarHBondContact O-ND2 3.13Å; L169-L174 HydrophobicContact CB-CD1 4.28Å; L169-L174 HydrophobicContact CD1-CD1 4.43Å; L169-F182 HydrophobicContact CD1-CE1 4.21Å; L169-F182 HydrophobicContact CD1-CZ 4.34Å; L169-N193 PolarHBondContact N-O 3.06Å; L169-L194 HydrophobicContact CB-CD2 3.85Å; L169-L194 HydrophobicContact CD1-CD2 3.92Å; L169-N197 PolarHBondContact O-ND2 2.91Å
170	S	98.6	Very high	95.9	Very high	4 Å²	4	32.2 Å²	32.2	3%	0.028	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	151.4	-178.3	59.7	0	0	0	0	113.4	K146 N147 D168 N172 N193 N195	K146-S170 CarbonylContact C-O 3.54Å; K146-S170 WeakPolarHBondContact CA-O 3.37Å; K146-S170 WeakPolarHBondContact CD-OG 3.22Å; K146-S170 VanDerWaalsContact CG-OG 3.29Å; K146-S170 WeakPolarHBondContact CG-OG 3.45Å; N147-S170 PolarHBondContact N-O 3.33Å; D168-S170 WeakPolarHBondContact OD1-CB 3.2Å; D168-S170 PolarHBondContact OD1-N 2.9Å; D168-S170 PolarHBondContact OD1-OG 2.81Å; S170-N172 VanDerWaalsContact C-N 3.31Å; S170-N172 PolarHBondContact O-N 3.34Å; S170-N172 PolarHBondContact O-ND2 3.44Å; S170-N193 PolarHBondContact N-O 3.23Å; S170-N195 CarbonylContact C-O 3.15Å; S170-N195 WeakPolarHBondContact CA-O 3.41Å; S170-N195 WeakPolarHBondContact CB-O 3.41Å; S170-N195 WeakPolarHBondContact CB-OD1 3.43Å
171	G	98.3	Very high	96.2	Very high	18 Å²	18	31.3 Å²	31.3	19%	0.186	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	31.3	176.7	0	0	0	0	0	113.7	N147 N148 N195 H196	N147-G171 CarbonylContact C-O 3.51Å; N147-G171 WeakPolarHBondContact CA-O 3.26Å; N148-G171 PolarHBondContact N-O 2.98Å; G171-N195 PolarHBondContact N-O 3.36Å; G171-H196 CarbonylContact C-O 2.96Å; G171-H196 WeakPolarHBondContact CA-O 3.18Å; G171-H196 PolarHBondContact N-O 2.91Å
172	N	98.6	Very high	96.3	Very high	9 Å²	9	31.3 Å²	31.3	5%	0.048	18%	0.184	C	C	.	.	S	Bend	trans	-108.5	-164.9	177	-81.7	-76.9	0	0	0	110.7	L145 N148 I149 I150 L169 S170 L174 H196 N197	L145-N172 PolarHBondContact O-ND2 3.41Å; N148-N172 WeakPolarHBondContact CA-OD1 3.36Å; N148-N172 VanDerWaalsContact CB-OD1 3.24Å; N148-N172 WeakPolarHBondContact CB-OD1 3.2Å; N148-N172 PolarHBondContact N-OD1 3.34Å; N148-N172 PolarHBondContact O-OD1 3.11Å; I149-N172 PolarHBondContact N-OD1 2.91Å; I150-N172 HydrophobicContact CB-CB 4.23Å; I150-N172 VanDerWaalsContact CB-OD1 3.31Å; I150-N172 WeakPolarHBondContact CB-OD1 3.35Å; I150-N172 WeakPolarHBondContact CG1-OD1 3.28Å; I150-N172 PolarHBondContact N-OD1 3.38Å; L169-N172 VanDerWaalsContact C-ND2 3.35Å; L169-N172 WeakPolarHBondContact O-CB 3.24Å; L169-N172 PolarHBondContact O-ND2 3.13Å; S170-N172 VanDerWaalsContact C-N 3.31Å; S170-N172 PolarHBondContact O-N 3.34Å; S170-N172 PolarHBondContact O-ND2 3.44Å; N172-L174 HydrophobicContact CB-CG 4.46Å; N172-H196 PolarHBondContact N-O 2.81Å; N172-N197 VanDerWaalsContact CA-OD1 3.25Å; N172-N197 WeakPolarHBondContact CA-OD1 3.31Å; N172-N197 WeakPolarHBondContact CB-OD1 3.34Å; N172-N197 PolarHBondContact N-OD1 3.47Å; N172-N197 PolarHBondContact O-OD1 2.88Å
173	Q	97.7	Very high	96.4	Very high	98 Å²	98	29.3 Å²	29.3	46%	0.458	17%	0.171	S	C	.	.			trans	-116.5	26.9	-176.5	-60.5	-178	-4.9	0	0	112.1	I150 S175 N197	I150-Q173 CarbonylContact O-C 3.55Å; I150-Q173 WeakPolarHBondContact O-CA 3.24Å; I150-Q173 PolarHBondContact O-N 2.85Å; Q173-S175 PolarHBondContact O-N 3.14Å; Q173-N197 PolarHBondContact N-OD1 2.8Å
174	L	98	Very high	96.3	Very high	1 Å²	1	28 Å²	28	1%	0.005	17%	0.174	C	C	.	.			trans	-63.1	128.4	179.3	-57.8	-179.4	0	0	0	109.7	I150 V153 L169 N172 I177 L194 N197 N198 I199	I150-L174 HydrophobicContact CG2-CD2 4.03Å; I150-L174 PolarHBondContact O-N 3.08Å; V153-L174 HydrophobicContact CG2-CD1 3.85Å; V153-L174 HydrophobicContact CG2-CD2 3.66Å; V153-L174 HydrophobicContact CG2-CG 4.42Å; L169-L174 HydrophobicContact CB-CD1 4.28Å; L169-L174 HydrophobicContact CD1-CD1 4.43Å; N172-L174 HydrophobicContact CB-CG 4.46Å; L174-I177 HydrophobicContact CD1-CD1 4.36Å; L174-L194 HydrophobicContact CD1-CD2 3.73Å; L174-N197 HydrophobicContact CB-CB 4.13Å; L174-N197 WeakPolarHBondContact CB-OD1 3.11Å; L174-N197 VanDerWaalsContact CG-OD1 3.3Å; L174-N197 WeakPolarHBondContact CG-OD1 3.36Å; L174-N197 PolarHBondContact N-OD1 3.28Å; L174-N198 CarbonylContact O-C 3.11Å; L174-N198 VanDerWaalsContact O-CA 3.22Å; L174-N198 WeakPolarHBondContact O-CA 3.31Å; L174-N198 PolarHBondContact O-N 3.45Å; L174-I199 HydrophobicContact CB-CD1 4.41Å; L174-I199 HydrophobicContact CB-CG1 4.02Å; L174-I199 WeakPolarHBondContact O-CG1 3.44Å; L174-I199 PolarHBondContact O-N 2.94Å
175	S	97.1	Very high	96.1	Very high	59 Å²	59	32.3 Å²	32.3	41%	0.413	19%	0.191	S	C	.	.			trans	-108.3	-27.8	-176.1	58	0	0	0	0	114	Q173 N198 I199 S200	Q173-S175 PolarHBondContact O-N 3.14Å; S175-N198 WeakPolarHBondContact CA-O 3.25Å; S175-I199 WeakPolarHBondContact O-CA 3.13Å; S175-S200 PolarHBondContact O-N 2.97Å; S175-S200 PolarHBondContact O-OG 3.11Å
176	Q	95.7	Very high	95.9	Very high	92 Å²	92	29.9 Å²	29.9	43%	0.43	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	146.7	-180	-60.4	-176.1	8.1	0	0	109.6
177	I	97.4	Very high	95.6	Very high	2 Å²	2	32 Å²	32	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	133.9	170.4	-52.7	-61.9	0	0	0	108.3	L174 F182 L194 I199 S201 I202 R203 A206 F207	L174-I177 HydrophobicContact CD1-CD1 4.36Å; I177-F182 HydrophobicContact CD1-CE2 4.16Å; I177-F182 HydrophobicContact CG2-CD2 3.89Å; I177-F182 HydrophobicContact CG2-CE2 3.63Å; I177-L194 HydrophobicContact CD1-CD1 4.48Å; I177-I199 HydrophobicContact CD1-CD1 4Å; I177-I199 HydrophobicContact CD1-CG1 4.45Å; I177-I199 HydrophobicContact CG1-CD1 3.85Å; I177-I199 HydrophobicContact CG1-CG1 4.27Å; I177-I199 HydrophobicContact CG1-CG2 4.08Å; I177-S201 PolarHBondContact N-O 2.78Å; I177-S201 VanDerWaalsContact N-O 3.09Å; I177-I202 WeakPolarHBondContact O-CA 3.25Å; I177-R203 PolarHBondContact O-N 2.81Å; I177-A206 HydrophobicContact CG2-CB 3.81Å; I177-F207 HydrophobicContact CG2-CE1 4.03Å; I177-F207 HydrophobicContact CG2-CZ 4.21Å
178	G	94.9	Very high	95.5	Very high	13 Å²	13	33.4 Å²	33.4	13%	0.134	21%	0.206	C	C	.	.			trans	-143.4	-176	177.7	0	0	0	0	0	112.4	S180 S181	G178-S180 PolarHBondContact O-N 2.8Å; G178-S181 PolarHBondContact N-OG 3.14Å; G178-S181 VanDerWaalsContact N-OG 3.16Å; G178-S181 VanDerWaalsContact O-CB 3.29Å; G178-S181 WeakPolarHBondContact O-CB 3.21Å; G178-S181 PolarHBondContact O-N 3.1Å; G178-S181 PolarHBondContact O-OG 3.29Å
179	A	93	Very high	95.5	Very high	62 Å²	62	32.2 Å²	32.2	51%	0.512	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.7	-173.2	0	0	0	0	0	115
180	S	93.2	Very high	95.5	Very high	55 Å²	55	34.7 Å²	34.7	39%	0.385	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-11.5	176.7	75.9	0	0	0	0	114	D154 S155 G178	D154-S180 PolarHBondContact OD2-OG 2.76Å; S155-S180 WeakPolarHBondContact CB-O 3.42Å; S155-S180 PolarHBondContact N-O 3.27Å; S155-S180 PolarHBondContact OG-O 3.03Å; G178-S180 PolarHBondContact O-N 2.8Å
181	S	94.6	Very high	95.5	Very high	8 Å²	8	36.5 Å²	36.5	6%	0.056	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-47	-175.6	-59	0	0	0	0	112.1	S155 G178	S155-S181 PolarHBondContact N-O 3.36Å; G178-S181 PolarHBondContact N-OG 3.14Å; G178-S181 VanDerWaalsContact N-OG 3.16Å; G178-S181 VanDerWaalsContact O-CB 3.29Å; G178-S181 WeakPolarHBondContact O-CB 3.21Å; G178-S181 PolarHBondContact O-N 3.1Å; G178-S181 PolarHBondContact O-OG 3.29Å
182	F	94.9	Very high	95.5	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	21%	0.213	C	C	.	.	S	Bend	trans	-128.7	72.1	-175.8	-55.5	-67.5	0	0	0	111.5	V153 L167 L169 I177 F186 L192 L194 F207 L210	V153-F182 HydrophobicContact CG1-CE1 4.13Å; L167-F182 HydrophobicContact CD2-CD1 4.46Å; L167-F182 HydrophobicContact CD2-CE1 3.93Å; L169-F182 HydrophobicContact CD1-CE1 4.21Å; L169-F182 HydrophobicContact CD1-CZ 4.34Å; I177-F182 HydrophobicContact CD1-CE2 4.16Å; I177-F182 HydrophobicContact CG2-CD2 3.89Å; I177-F182 HydrophobicContact CG2-CE2 3.63Å; F182-F186 HydrophobicContact CB-CD2 4.21Å; F182-F186 HydrophobicContact CD1-CD2 4.22Å; F182-F186 HydrophobicContact CD1-CE2 4.01Å; F182-F186 HydrophobicContact CD1-CZ 4.39Å; F182-L192 HydrophobicContact CD1-CD2 4.32Å; F182-L192 HydrophobicContact CD2-CD2 4.16Å; F182-L192 HydrophobicContact CE1-CD1 3.92Å; F182-L192 HydrophobicContact CE1-CD2 4.08Å; F182-L192 HydrophobicContact CE2-CD2 3.89Å; F182-L192 HydrophobicContact CG-CD2 4.37Å; F182-L192 HydrophobicContact CZ-CD1 4.02Å; F182-L192 HydrophobicContact CZ-CD2 3.86Å; F182-L194 HydrophobicContact CE2-CD1 3.99Å; F182-L194 HydrophobicContact CZ-CD1 4.04Å; F182-L194 HydrophobicContact CZ-CD2 3.95Å; F182-F207 AromaticContact CD2-CD1 3.91Å; F182-F207 HydrophobicContact CD2-CD1 3.91Å; F182-F207 AromaticContact CD2-CE1 3.77Å; F182-F207 HydrophobicContact CD2-CE1 3.77Å; F182-F207 HydrophobicContact CE2-CD1 4.46Å; F182-F207 AromaticContact CE2-CE1 3.87Å; F182-F207 HydrophobicContact CE2-CE1 3.87Å; F182-L210 HydrophobicContact CB-CD1 4.08Å; F182-L210 HydrophobicContact CB-CD2 4.13Å; F182-L210 HydrophobicContact CB-CG 4.22Å; F182-L210 HydrophobicContact CG-CD1 4.32Å
183	G	91.9	Very high	95.5	Very high	7 Å²	7	36.7 Å²	36.7	7%	0.072	22%	0.218	C	C	.	.			trans	-71.2	-171.7	179	0	0	0	0	0	114.5	Y185 F186	G183-Y185 PolarHBondContact O-N 2.95Å; G183-F186 PolarHBondContact O-N 3.3Å
184	S	92.4	Very high	95.5	Very high	69 Å²	69	32 Å²	32	48%	0.483	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-60.7	-18.3	-171.3	58.5	0	0	0	0	116.1	F186 S187	S184-F186 PolarHBondContact O-N 3.32Å; S184-S187 PolarHBondContact O-N 2.92Å
185	Y	92.3	Very high	95.6	Very high	90 Å²	90	33.4 Å²	33.4	35%	0.353	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-65.9	-18.6	177.1	-59.4	-63.5	0	0	0	113.7	E159 G183	E159-Y185 HydrophobicContact CB-CE2 4.4Å; E159-Y185 HydrophobicContact CG-CE1 4.16Å; E159-Y185 HydrophobicContact CG-CE2 4.34Å; G183-Y185 PolarHBondContact O-N 2.95Å
186	F	93	Very high	95.6	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-93.5	18.5	179	-65.4	-72.9	0	0	0	113.9	F158 L164 L167 F182 G183 S184 S188 L189 L210	F158-F186 HydrophobicContact CB-CE1 4.03Å; F158-F186 HydrophobicContact CB-CE2 4.06Å; F158-F186 HydrophobicContact CB-CZ 3.49Å; F158-F186 VanDerWaalsContact CB-CZ 3.49Å; F158-F186 HydrophobicContact CD1-CE1 4.24Å; F158-F186 AromaticContact CD1-CZ 3.88Å; F158-F186 HydrophobicContact CD1-CZ 3.88Å; F158-F186 AromaticContact CD2-CE2 3.99Å; F158-F186 HydrophobicContact CD2-CE2 3.99Å; F158-F186 AromaticContact CD2-CZ 3.46Å; F158-F186 HydrophobicContact CD2-CZ 3.46Å; F158-F186 VanDerWaalsContact CD2-CZ 3.46Å; F158-F186 HydrophobicContact CE1-CZ 4.46Å; F158-F186 HydrophobicContact CE2-CZ 4.13Å; F158-F186 HydrophobicContact CG-CE1 4.02Å; F158-F186 HydrophobicContact CG-CE2 4.14Å; F158-F186 AromaticContact CG-CZ 3.32Å; F158-F186 HydrophobicContact CG-CZ 3.32Å; L164-F186 HydrophobicContact CD2-CD1 4.01Å; L164-F186 HydrophobicContact CD2-CE1 3.69Å; L167-F186 HydrophobicContact CD2-CE1 3.73Å; L167-F186 HydrophobicContact CD2-CZ 3.96Å; F182-F186 HydrophobicContact CB-CD2 4.21Å; F182-F186 HydrophobicContact CD1-CD2 4.22Å; F182-F186 HydrophobicContact CD1-CE2 4.01Å; F182-F186 HydrophobicContact CD1-CZ 4.39Å; G183-F186 PolarHBondContact O-N 3.3Å; S184-F186 PolarHBondContact O-N 3.32Å; F186-S188 PolarHBondContact O-N 3.06Å; F186-L189 HydrophobicContact CB-CB 4.23Å; F186-L189 HydrophobicContact CB-CD2 4.43Å; F186-L189 HydrophobicContact CD1-CD1 4.46Å; F186-L189 HydrophobicContact CD1-CD2 4.22Å; F186-L189 WeakPolarHBondContact O-CB 3.33Å; F186-L189 PolarHBondContact O-N 3.18Å; F186-L210 HydrophobicContact CB-CD2 3.4Å; F186-L210 HydrophobicContact CG-CD2 4.39Å
187	S	91.9	Very high	95.8	Very high	59 Å²	59	30.8 Å²	30.8	41%	0.413	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-19.2	-177.3	57.9	0	0	0	0	115	S184 E212	S184-S187 PolarHBondContact O-N 2.92Å; S187-E212 WeakPolarHBondContact O-CB 3.25Å; S187-E212 WeakPolarHBondContact O-CG 3.11Å
188	S	95.1	Very high	95.8	Very high	28 Å²	28	35.6 Å²	35.6	20%	0.196	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-1.4	176.9	-79.7	0	0	0	0	114.7	S162 L164 K165 F186 K190	S162-S188 VanDerWaalsContact O-CB 3.23Å; S162-S188 WeakPolarHBondContact O-CB 3.36Å; S162-S188 PolarHBondContact O-OG 3.39Å; L164-S188 CarbonylContact O-C 3.59Å; L164-S188 VanDerWaalsContact O-C 3.28Å; K165-S188 WeakPolarHBondContact CD-O 3.36Å; K165-S188 PolarHBondContact NZ-O 3.33Å; K165-S188 VanDerWaalsContact NZ-O 3.08Å; F186-S188 PolarHBondContact O-N 3.06Å; S188-K190 PolarHBondContact O-N 3.49Å
189	L	97.7	Very high	96	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.204	C	C	.	.			trans	-68.8	126.5	-172	-166.4	72.9	0	0	0	110.6	L164 L167 F186 L192 L210 E212 L213	L164-L189 HydrophobicContact CD2-CD1 4.06Å; L164-L189 HydrophobicContact CG-CD1 4.06Å; L164-L189 WeakPolarHBondContact O-CA 3.49Å; L164-L189 PolarHBondContact O-N 3.04Å; L167-L189 HydrophobicContact CB-CD1 3.84Å; L167-L189 HydrophobicContact CB-CD2 4.29Å; F186-L189 HydrophobicContact CB-CB 4.23Å; F186-L189 HydrophobicContact CB-CD2 4.43Å; F186-L189 HydrophobicContact CD1-CD1 4.46Å; F186-L189 HydrophobicContact CD1-CD2 4.22Å; F186-L189 WeakPolarHBondContact O-CB 3.33Å; F186-L189 PolarHBondContact O-N 3.18Å; L189-L192 HydrophobicContact CD2-CB 4.01Å; L189-L192 HydrophobicContact CD2-CD1 4.37Å; L189-L210 HydrophobicContact CB-CD2 4.45Å; L189-L210 HydrophobicContact CD2-CD2 4.19Å; L189-E212 CarbonylContact O-C 3.54Å; L189-L213 HydrophobicContact CB-CD1 4.34Å; L189-L213 HydrophobicContact CD2-CD1 3.95Å; L189-L213 HydrophobicContact CG-CD1 3.93Å; L189-L213 WeakPolarHBondContact O-CA 3.36Å; L189-L213 PolarHBondContact O-N 2.77Å; L189-L213 VanDerWaalsContact O-N 3.17Å
190	K	98.5	Very high	96.2	Very high	52 Å²	52	34.6 Å²	34.6	23%	0.226	20%	0.198	C	C	.	.			trans	-100.9	-33.7	177.9	-73.3	-172.5	170.6	-168.8	0	112.6	D52 K165 S188 E214 T215	D52-K190 IonicContact OD2-NZ 2.76Å; D52-K190 PolarHBondContact OD2-NZ 2.93Å; D52-K190 VanDerWaalsContact OD2-NZ 3.16Å; K165-K190 HydrophobicContact CD-CD 4.5Å; K165-K190 HydrophobicContact CD-CG 4.31Å; K165-K190 PolarHBondContact O-N 2.92Å; S188-K190 PolarHBondContact O-N 3.49Å; K190-E214 WeakPolarHBondContact CD-OE1 3.32Å; K190-E214 WeakPolarHBondContact CE-OE1 3.46Å; K190-E214 IonicContact NZ-OE1 3.03Å; K190-E214 PolarHBondContact O-N 3.12Å; K190-T215 PolarHBondContact O-N 3.26Å
191	T	98.8	Very high	96.3	Very high	42 Å²	42	33.5 Å²	33.5	26%	0.258	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	127	-177.3	-54.3	0	0	0	0	110.9	K165 V166 L167 T215	K165-T191 PolarHBondContact O-N 3.31Å; V166-T191 WeakPolarHBondContact CA-O 3.26Å; V166-T191 HydrophobicContact CG1-CG2 4.34Å; L167-T191 PolarHBondContact N-O 2.85Å; T191-T215 WeakPolarHBondContact CA-O 3.33Å; T191-T215 HydrophobicContact CG2-CG2 4.18Å
192	L	98.6	Very high	96.4	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	114.5	174.6	178.5	55.9	0	0	0	109.2	L167 F182 L189 L194 F207 L210 L213 T215 L216 S217	L167-L192 HydrophobicContact CB-CD1 4.1Å; L167-L192 HydrophobicContact CD2-CD1 3.96Å; L167-L192 HydrophobicContact CG-CD1 4.03Å; L167-L192 WeakPolarHBondContact O-CA 3.32Å; F182-L192 HydrophobicContact CD1-CD2 4.32Å; F182-L192 HydrophobicContact CD2-CD2 4.16Å; F182-L192 HydrophobicContact CE1-CD1 3.92Å; F182-L192 HydrophobicContact CE1-CD2 4.08Å; F182-L192 HydrophobicContact CE2-CD2 3.89Å; F182-L192 HydrophobicContact CG-CD2 4.37Å; F182-L192 HydrophobicContact CZ-CD1 4.02Å; F182-L192 HydrophobicContact CZ-CD2 3.86Å; L189-L192 HydrophobicContact CD2-CB 4.01Å; L189-L192 HydrophobicContact CD2-CD1 4.37Å; L192-L194 HydrophobicContact CD1-CD1 4.4Å; L192-L194 HydrophobicContact CD1-CD2 4.22Å; L192-L194 HydrophobicContact CD1-CG 4.07Å; L192-L194 HydrophobicContact CD2-CD1 3.96Å; L192-L194 HydrophobicContact CD2-CG 4.48Å; L192-L194 HydrophobicContact CG-CD1 4Å; L192-L194 HydrophobicContact CG-CG 4Å; L192-F207 HydrophobicContact CD2-CD1 4.48Å; L192-F207 HydrophobicContact CD2-CE1 4.16Å; L192-L210 HydrophobicContact CD2-CD1 3.76Å; L192-L213 HydrophobicContact CB-CD1 3.76Å; L192-L213 HydrophobicContact CB-CD2 4.17Å; L192-T215 PolarHBondContact N-O 3.44Å; L192-L216 HydrophobicContact CB-CD1 4.1Å; L192-L216 HydrophobicContact CD2-CD1 3.97Å; L192-L216 HydrophobicContact CG-CD1 3.98Å; L192-L216 WeakPolarHBondContact O-CA 3.46Å; L192-S217 PolarHBondContact O-N 3.35Å
193	N	98.7	Very high	96.4	Very high	30 Å²	30	39.9 Å²	39.9	16%	0.16	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	117.5	176.4	-170.1	15.1	0	0	0	110.6	L167 D168 L169 S170 N195 S217	L167-N193 PolarHBondContact O-N 3.33Å; D168-N193 HydrophobicContact CB-CB 4.27Å; D168-N193 PolarHBondContact OD1-ND2 3.27Å; D168-N193 PolarHBondContact OD2-ND2 3.11Å; L169-N193 PolarHBondContact N-O 3.06Å; S170-N193 PolarHBondContact N-O 3.23Å; N193-N195 VanDerWaalsContact CG-OD1 3.29Å; N193-N195 PolarHBondContact ND2-OD1 2.76Å; N193-N195 VanDerWaalsContact ND2-OD1 3.13Å; N193-N195 PolarHBondContact OD1-N 2.86Å; N193-N195 PolarHBondContact OD1-OD1 3.39Å; N193-S217 WeakPolarHBondContact OD1-CB 3.35Å; N193-S217 PolarHBondContact OD1-OG 3.42Å; N193-S217 VanDerWaalsContact OD1-OG 3.08Å
194	L	98.6	Very high	96.4	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.24	C	C	.	.			trans	-123.6	14.7	179.9	-64.8	168.3	0	0	0	111.6	L169 L174 I177 F182 L192 N197 I199 F207 L216 S217 L218 N221	L169-L194 HydrophobicContact CB-CD2 3.85Å; L169-L194 HydrophobicContact CD1-CD2 3.92Å; L174-L194 HydrophobicContact CD1-CD2 3.73Å; I177-L194 HydrophobicContact CD1-CD1 4.48Å; F182-L194 HydrophobicContact CE2-CD1 3.99Å; F182-L194 HydrophobicContact CZ-CD1 4.04Å; F182-L194 HydrophobicContact CZ-CD2 3.95Å; L192-L194 HydrophobicContact CD1-CD1 4.4Å; L192-L194 HydrophobicContact CD1-CD2 4.22Å; L192-L194 HydrophobicContact CD1-CG 4.07Å; L192-L194 HydrophobicContact CD2-CD1 3.96Å; L192-L194 HydrophobicContact CD2-CG 4.48Å; L192-L194 HydrophobicContact CG-CD1 4Å; L192-L194 HydrophobicContact CG-CG 4Å; L194-N197 PolarHBondContact O-ND2 3.38Å; L194-I199 HydrophobicContact CB-CD1 3.99Å; L194-I199 HydrophobicContact CD1-CD1 4.44Å; L194-F207 HydrophobicContact CD1-CE1 4.45Å; L194-L216 HydrophobicContact CD1-CD1 4.35Å; L194-S217 CarbonylContact C-O 3.37Å; L194-S217 WeakPolarHBondContact CA-O 3.1Å; L194-S217 WeakPolarHBondContact CB-O 3.33Å; L194-S217 PolarHBondContact N-O 3.13Å; L194-L218 HydrophobicContact CB-CD2 3.98Å; L194-L218 HydrophobicContact CD1-CD2 3.87Å; L194-N221 PolarHBondContact O-ND2 3.41Å
195	N	98.4	Very high	96.4	Very high	30 Å²	30	43.4 Å²	43.4	16%	0.16	22%	0.224	C	C	.	.			trans	-66.6	160.4	-178.7	70.5	-21.9	0	0	0	113.1	S170 G171 N193 N197 S217 A219	S170-N195 CarbonylContact C-O 3.15Å; S170-N195 WeakPolarHBondContact CA-O 3.41Å; S170-N195 WeakPolarHBondContact CB-O 3.41Å; S170-N195 WeakPolarHBondContact CB-OD1 3.43Å; G171-N195 PolarHBondContact N-O 3.36Å; N193-N195 VanDerWaalsContact CG-OD1 3.29Å; N193-N195 PolarHBondContact ND2-OD1 2.76Å; N193-N195 VanDerWaalsContact ND2-OD1 3.13Å; N193-N195 PolarHBondContact OD1-N 2.86Å; N193-N195 PolarHBondContact OD1-OD1 3.39Å; N195-N197 VanDerWaalsContact C-N 3.34Å; N195-N197 PolarHBondContact O-N 3.41Å; N195-N197 PolarHBondContact O-ND2 3.03Å; N195-S217 WeakPolarHBondContact CB-OG 2.82Å; N195-S217 PolarHBondContact N-O 3.2Å; N195-A219 CarbonylContact C-O 3.33Å; N195-A219 WeakPolarHBondContact CA-O 3.45Å; N195-A219 HydrophobicContact CB-CB 4.16Å; N195-A219 WeakPolarHBondContact CB-O 3.41Å
196	H	98.6	Very high	96.6	Very high	91 Å²	91	39.1 Å²	39.1	42%	0.421	21%	0.207	S	C	.	.	S	Bend	trans	55.1	48.8	-179.1	-62.6	83.1	0	0	0	112.3	G171 N172 A219 F220	G171-H196 CarbonylContact C-O 2.96Å; G171-H196 WeakPolarHBondContact CA-O 3.18Å; G171-H196 PolarHBondContact N-O 2.91Å; N172-H196 PolarHBondContact N-O 2.81Å; H196-A219 PolarHBondContact N-O 3.18Å; H196-F220 VanDerWaalsContact CA-O 3.27Å; H196-F220 WeakPolarHBondContact CA-O 3.37Å; H196-F220 AromaticContact CD2-CD1 3.99Å; H196-F220 AromaticContact CD2-CG 3.9Å; H196-F220 AromaticContact CE1-CD1 3.95Å; H196-F220 AromaticContact CE1-CD2 3.33Å; H196-F220 WeakPolarHBondContact CE1-CD2 3.43Å; H196-F220 AromaticContact CE1-CE2 3.59Å; H196-F220 AromaticContact CE1-CG 3.51Å; H196-F220 AromaticContact CE1-CZ 3.98Å; H196-F220 PolarHBondContact N-O 2.84Å; H196-F220 AromaticContact ND1-CD2 3.92Å; H196-F220 AromaticContact ND1-CG 3.99Å; H196-F220 AromaticContact NE2-CD1 3.45Å; H196-F220 WeakPolarHBondContact NE2-CD1 3.29Å; H196-F220 AromaticContact NE2-CD2 3.73Å; H196-F220 AromaticContact NE2-CE1 3.66Å; H196-F220 AromaticContact NE2-CE2 3.94Å; H196-F220 AromaticContact NE2-CG 3.45Å; H196-F220 WeakPolarHBondContact NE2-CG 3.39Å; H196-F220 AromaticContact NE2-CZ 3.89Å
197	N	98.7	Very high	96.8	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.027	21%	0.207	C	C	.	.	S	Bend	trans	-119.2	-172	170.5	-84.6	-84.4	0	0	0	109.1	L169 N172 Q173 L174 L194 N195 I199 F220 N221	L169-N197 PolarHBondContact O-ND2 2.91Å; N172-N197 VanDerWaalsContact CA-OD1 3.25Å; N172-N197 WeakPolarHBondContact CA-OD1 3.31Å; N172-N197 WeakPolarHBondContact CB-OD1 3.34Å; N172-N197 PolarHBondContact N-OD1 3.47Å; N172-N197 PolarHBondContact O-OD1 2.88Å; Q173-N197 PolarHBondContact N-OD1 2.8Å; L174-N197 HydrophobicContact CB-CB 4.13Å; L174-N197 WeakPolarHBondContact CB-OD1 3.11Å; L174-N197 VanDerWaalsContact CG-OD1 3.3Å; L174-N197 WeakPolarHBondContact CG-OD1 3.36Å; L174-N197 PolarHBondContact N-OD1 3.28Å; L194-N197 PolarHBondContact O-ND2 3.38Å; N195-N197 VanDerWaalsContact C-N 3.34Å; N195-N197 PolarHBondContact O-N 3.41Å; N195-N197 PolarHBondContact O-ND2 3.03Å; N197-I199 HydrophobicContact CB-CD1 4.15Å; N197-I199 HydrophobicContact CB-CG1 3.97Å; N197-F220 PolarHBondContact N-O 3.24Å; N197-N221 VanDerWaalsContact CA-OD1 3.3Å; N197-N221 WeakPolarHBondContact CA-OD1 3.21Å; N197-N221 WeakPolarHBondContact CB-OD1 3.32Å; N197-N221 PolarHBondContact N-OD1 3.02Å; N197-N221 PolarHBondContact O-OD1 3.33Å; N197-N221 VanDerWaalsContact O-OD1 3.12Å
198	N	98.1	Very high	96.9	Very high	103 Å²	103	44.4 Å²	44.4	55%	0.551	22%	0.218	S	C	*	.			trans	-106.8	26.7	177.2	-69.4	-13.1	0	0	0	112	L174 S175 S200	L174-N198 CarbonylContact O-C 3.11Å; L174-N198 VanDerWaalsContact O-CA 3.22Å; L174-N198 WeakPolarHBondContact O-CA 3.31Å; L174-N198 PolarHBondContact O-N 3.45Å; S175-N198 WeakPolarHBondContact CA-O 3.25Å; N198-S200 PolarHBondContact O-N 3.15Å; N198-S200 VanDerWaalsContact O-N 3.09Å
199	I	98.4	Very high	96.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.226	C	C	.	.			trans	-66.6	114.5	-171	-59	166.7	0	0	0	108.8	L174 S175 I177 L194 N197 I202 L218 N221 A222 L223	L174-I199 HydrophobicContact CB-CD1 4.41Å; L174-I199 HydrophobicContact CB-CG1 4.02Å; L174-I199 WeakPolarHBondContact O-CG1 3.44Å; L174-I199 PolarHBondContact O-N 2.94Å; S175-I199 WeakPolarHBondContact O-CA 3.13Å; I177-I199 HydrophobicContact CD1-CD1 4Å; I177-I199 HydrophobicContact CD1-CG1 4.45Å; I177-I199 HydrophobicContact CG1-CD1 3.85Å; I177-I199 HydrophobicContact CG1-CG1 4.27Å; I177-I199 HydrophobicContact CG1-CG2 4.08Å; L194-I199 HydrophobicContact CB-CD1 3.99Å; L194-I199 HydrophobicContact CD1-CD1 4.44Å; N197-I199 HydrophobicContact CB-CD1 4.15Å; N197-I199 HydrophobicContact CB-CG1 3.97Å; I199-I202 HydrophobicContact CG2-CG1 4.19Å; I199-L218 HydrophobicContact CD1-CD2 3.98Å; I199-N221 HydrophobicContact CB-CB 4.18Å; I199-N221 VanDerWaalsContact CB-OD1 3.25Å; I199-N221 WeakPolarHBondContact CB-OD1 3.22Å; I199-N221 VanDerWaalsContact CG1-OD1 3.31Å; I199-N221 WeakPolarHBondContact CG1-OD1 3.09Å; I199-N221 PolarHBondContact N-OD1 3.05Å; I199-A222 CarbonylContact O-C 3.54Å; I199-A222 VanDerWaalsContact O-C 3.26Å; I199-A222 WeakPolarHBondContact O-CA 3.48Å; I199-A222 PolarHBondContact O-N 2.89Å; I199-L223 HydrophobicContact CG2-CD2 4.05Å; I199-L223 PolarHBondContact O-N 3.42Å
200	S	97.4	Very high	96.9	Very high	54 Å²	54	46.7 Å²	46.7	38%	0.378	23%	0.226	S	C	.	.			trans	-105.7	-16.8	179.4	60.5	0	0	0	0	113.2	S175 N198	S175-S200 PolarHBondContact O-N 2.97Å; S175-S200 PolarHBondContact O-OG 3.11Å; N198-S200 PolarHBondContact O-N 3.15Å; N198-S200 VanDerWaalsContact O-N 3.09Å
201	S	96	Very high	96.7	Very high	32 Å²	32	49.6 Å²	49.6	22%	0.224	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	146.7	173.6	61.8	0	0	0	0	113.1	I177	I177-S201 PolarHBondContact N-O 2.78Å; I177-S201 VanDerWaalsContact N-O 3.09Å
202	I	97.1	Very high	96.7	Very high	6 Å²	6	51.9 Å²	51.9	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	111.5	171.3	-59.5	167.7	0	0	0	105.7	I177 I199 A206 F207 L218 L223 S230	I177-I202 WeakPolarHBondContact O-CA 3.25Å; I199-I202 HydrophobicContact CG2-CG1 4.19Å; I202-A206 HydrophobicContact CG2-CB 3.64Å; I202-F207 HydrophobicContact CD1-CE2 4.27Å; I202-F207 HydrophobicContact CD1-CZ 4.46Å; I202-F207 HydrophobicContact CG2-CD2 4.3Å; I202-F207 HydrophobicContact CG2-CE2 3.58Å; I202-F207 HydrophobicContact CG2-CZ 4.1Å; I202-L218 HydrophobicContact CD1-CD1 3.55Å; I202-L218 HydrophobicContact CD1-CD2 4.08Å; I202-L218 HydrophobicContact CD1-CG 4.45Å; I202-L223 HydrophobicContact CD1-CD1 4.01Å; I202-L223 HydrophobicContact CD1-CD2 4.15Å; I202-L223 HydrophobicContact CG1-CD2 4.05Å; I202-S230 WeakPolarHBondContact O-CB 3.46Å
203	R	93.7	Very high	96.6	Very high	138 Å²	138	51.9 Å²	51.9	52%	0.521	25%	0.248	S	C	.	.			trans	-79.2	155.9	-179.3	-59.9	-173.7	-174.6	174.7	4.5	111.1	I177 G205 A206	I177-R203 PolarHBondContact O-N 2.81Å; R203-G205 PolarHBondContact O-N 3.05Å; R203-A206 WeakPolarHBondContact O-CB 3.43Å; R203-A206 PolarHBondContact O-N 2.67Å; R203-A206 VanDerWaalsContact O-N 3.14Å
204	E	92.3	Very high	96.7	Very high	136 Å²	136	52.7 Å²	52.7	64%	0.636	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.2	135.8	169.6	-169.1	-171.6	156.2	0	0	112.9	A206 E227 D229	E204-A206 PolarHBondContact O-N 3.36Å; E204-E227 PolarHBondContact N-OE2 2.95Å; E204-D229 HydrophobicContact CG-CB 4.2Å
205	G	92.8	Very high	96.7	Very high	14 Å²	14	54.6 Å²	54.6	14%	0.144	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	4.3	176.8	0	0	0	0	0	115.2	R203 F207 R208	R203-G205 PolarHBondContact O-N 3.05Å; G205-F207 PolarHBondContact O-N 2.77Å; G205-F207 VanDerWaalsContact O-N 3.11Å; G205-R208 WeakPolarHBondContact O-CB 3.38Å; G205-R208 PolarHBondContact O-N 3.01Å
206	A	95.9	Very high	96.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-35.5	175.7	0	0	0	0	0	114.2	I177 I202 R203 E204	I177-A206 HydrophobicContact CG2-CB 3.81Å; I202-A206 HydrophobicContact CG2-CB 3.64Å; R203-A206 WeakPolarHBondContact O-CB 3.43Å; R203-A206 PolarHBondContact O-N 2.67Å; R203-A206 VanDerWaalsContact O-N 3.14Å; E204-A206 PolarHBondContact O-N 3.36Å
207	F	96.7	Very high	96.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	14.5	-176.1	-52.7	-57.8	0	0	0	113.6	I177 F182 L192 L194 I202 G205 H209 L210 L216 L218 S230 L231 S232 L234	I177-F207 HydrophobicContact CG2-CE1 4.03Å; I177-F207 HydrophobicContact CG2-CZ 4.21Å; F182-F207 AromaticContact CD2-CD1 3.91Å; F182-F207 HydrophobicContact CD2-CD1 3.91Å; F182-F207 AromaticContact CD2-CE1 3.77Å; F182-F207 HydrophobicContact CD2-CE1 3.77Å; F182-F207 HydrophobicContact CE2-CD1 4.46Å; F182-F207 AromaticContact CE2-CE1 3.87Å; F182-F207 HydrophobicContact CE2-CE1 3.87Å; L192-F207 HydrophobicContact CD2-CD1 4.48Å; L192-F207 HydrophobicContact CD2-CE1 4.16Å; L194-F207 HydrophobicContact CD1-CE1 4.45Å; I202-F207 HydrophobicContact CD1-CE2 4.27Å; I202-F207 HydrophobicContact CD1-CZ 4.46Å; I202-F207 HydrophobicContact CG2-CD2 4.3Å; I202-F207 HydrophobicContact CG2-CE2 3.58Å; I202-F207 HydrophobicContact CG2-CZ 4.1Å; G205-F207 PolarHBondContact O-N 2.77Å; G205-F207 VanDerWaalsContact O-N 3.11Å; F207-H209 PolarHBondContact O-N 3.31Å; F207-L210 HydrophobicContact CB-CD1 4.18Å; F207-L210 HydrophobicContact CB-CG 4.44Å; F207-L210 HydrophobicContact CD1-CD1 3.67Å; F207-L210 HydrophobicContact CG-CD1 4.35Å; F207-L210 WeakPolarHBondContact O-CB 3.17Å; F207-L210 PolarHBondContact O-N 2.97Å; F207-L216 HydrophobicContact CD2-CD2 4.42Å; F207-L216 HydrophobicContact CE2-CD2 4.06Å; F207-L216 HydrophobicContact CZ-CD2 4.17Å; F207-L218 HydrophobicContact CZ-CD1 4.48Å; F207-S230 WeakPolarHBondContact CD2-O 3.36Å; F207-L231 HydrophobicContact CD2-CD2 4.18Å; F207-L231 HydrophobicContact CE2-CD2 4.01Å; F207-S232 CarbonylContact C-O 3.54Å; F207-L234 HydrophobicContact CB-CD1 4.22Å; F207-L234 HydrophobicContact CB-CD2 3.72Å; F207-L234 HydrophobicContact CB-CG 3.87Å; F207-L234 HydrophobicContact CD2-CD1 4.03Å; F207-L234 HydrophobicContact CG-CD1 4.3Å; F207-L234 HydrophobicContact CG-CD2 4.34Å; F207-L234 HydrophobicContact CG-CG 4.47Å
208	R	95.3	Very high	96.7	Very high	170 Å²	170	49.4 Å²	49.4	64%	0.642	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	-30.4	-171.8	-177.4	176.7	177.8	179.5	1.2	114.3	G205	G205-R208 WeakPolarHBondContact O-CB 3.38Å; G205-R208 PolarHBondContact O-N 3.01Å
209	H	95.1	Very high	96.7	Very high	77 Å²	77	44.6 Å²	44.6	36%	0.356	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-3.1	-176.7	-63.4	-66.7	0	0	0	114.3	F207 Q211	F207-H209 PolarHBondContact O-N 3.31Å; H209-Q211 PolarHBondContact O-N 2.98Å; H209-Q211 VanDerWaalsContact O-N 3.12Å
210	L	96.5	Very high	96.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.23	C	C	.	.			trans	-89.4	51.4	-175.7	-59.3	-169.8	0	0	0	112.1	F182 F186 L189 L192 F207 E212 L213 L234	F182-L210 HydrophobicContact CB-CD1 4.08Å; F182-L210 HydrophobicContact CB-CD2 4.13Å; F182-L210 HydrophobicContact CB-CG 4.22Å; F182-L210 HydrophobicContact CG-CD1 4.32Å; F186-L210 HydrophobicContact CB-CD2 3.4Å; F186-L210 HydrophobicContact CG-CD2 4.39Å; L189-L210 HydrophobicContact CB-CD2 4.45Å; L189-L210 HydrophobicContact CD2-CD2 4.19Å; L192-L210 HydrophobicContact CD2-CD1 3.76Å; F207-L210 HydrophobicContact CB-CD1 4.18Å; F207-L210 HydrophobicContact CB-CG 4.44Å; F207-L210 HydrophobicContact CD1-CD1 3.67Å; F207-L210 HydrophobicContact CG-CD1 4.35Å; F207-L210 WeakPolarHBondContact O-CB 3.17Å; F207-L210 PolarHBondContact O-N 2.97Å; L210-E212 VanDerWaalsContact C-N 3.29Å; L210-E212 PolarHBondContact O-N 3.02Å; L210-L213 HydrophobicContact CB-CB 4.02Å; L210-L213 HydrophobicContact CB-CD2 4.41Å; L210-L213 HydrophobicContact CD1-CD2 4.04Å; L210-L213 VanDerWaalsContact O-CB 3.26Å; L210-L213 WeakPolarHBondContact O-CB 3.23Å; L210-L213 PolarHBondContact O-N 2.79Å; L210-L234 HydrophobicContact CB-CD2 3.91Å
211	Q	95.4	Very high	96.8	Very high	113 Å²	113	46.6 Å²	46.6	53%	0.528	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-26	-171.3	-65.2	178.9	-12.4	0	0	113.6	H209 N236	H209-Q211 PolarHBondContact O-N 2.98Å; H209-Q211 VanDerWaalsContact O-N 3.12Å; Q211-N236 WeakPolarHBondContact O-CB 3.05Å; Q211-N236 PolarHBondContact O-ND2 2.85Å
212	E	97.4	Very high	96.9	Very high	90 Å²	90	46.3 Å²	46.3	42%	0.421	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	3.7	177.8	-64.7	-65.8	138.2	0	0	113	S187 L189 L210 E214	S187-E212 WeakPolarHBondContact O-CB 3.25Å; S187-E212 WeakPolarHBondContact O-CG 3.11Å; L189-E212 CarbonylContact O-C 3.54Å; L210-E212 VanDerWaalsContact C-N 3.29Å; L210-E212 PolarHBondContact O-N 3.02Å; E212-E214 PolarHBondContact O-N 2.95Å
213	L	98.4	Very high	97	Very high	0 Å²	0	46 Å²	46	0%	0	21%	0.214	C	C	.	.			trans	-71.3	122.6	-175.4	-162.8	77.7	0	0	0	110.5	L189 L192 L210 L216 L234 N236 L237	L189-L213 HydrophobicContact CB-CD1 4.34Å; L189-L213 HydrophobicContact CD2-CD1 3.95Å; L189-L213 HydrophobicContact CG-CD1 3.93Å; L189-L213 WeakPolarHBondContact O-CA 3.36Å; L189-L213 PolarHBondContact O-N 2.77Å; L189-L213 VanDerWaalsContact O-N 3.17Å; L192-L213 HydrophobicContact CB-CD1 3.76Å; L192-L213 HydrophobicContact CB-CD2 4.17Å; L210-L213 HydrophobicContact CB-CB 4.02Å; L210-L213 HydrophobicContact CB-CD2 4.41Å; L210-L213 HydrophobicContact CD1-CD2 4.04Å; L210-L213 VanDerWaalsContact O-CB 3.26Å; L210-L213 WeakPolarHBondContact O-CB 3.23Å; L210-L213 PolarHBondContact O-N 2.79Å; L213-L216 HydrophobicContact CD2-CB 3.92Å; L213-L216 HydrophobicContact CD2-CD1 4.37Å; L213-L234 HydrophobicContact CB-CD2 4.08Å; L213-L234 HydrophobicContact CD2-CD2 3.58Å; L213-L234 HydrophobicContact CG-CD2 4.45Å; L213-N236 CarbonylContact O-C 3.47Å; L213-L237 HydrophobicContact CD2-CD1 4.06Å; L213-L237 HydrophobicContact CG-CD1 4.2Å; L213-L237 WeakPolarHBondContact O-CA 3.46Å; L213-L237 PolarHBondContact O-N 3.32Å; L213-L237 VanDerWaalsContact O-N 3.13Å
214	E	98.8	Very high	97.1	Very high	47 Å²	47	43 Å²	43	22%	0.22	21%	0.211	C	C	.	.			trans	-101.4	-31	179.1	-61.6	-174.9	-138.2	0	0	111.5	K190 E212 K238 H239	K190-E214 WeakPolarHBondContact CD-OE1 3.32Å; K190-E214 WeakPolarHBondContact CE-OE1 3.46Å; K190-E214 IonicContact NZ-OE1 3.03Å; K190-E214 PolarHBondContact O-N 3.12Å; E212-E214 PolarHBondContact O-N 2.95Å; E214-K238 HydrophobicContact CB-CD 4.44Å; E214-K238 WeakPolarHBondContact O-CA 3.35Å; E214-K238 PolarHBondContact O-N 2.96Å; E214-K238 IonicContact OE2-NZ 3.93Å; E214-K238 PolarHBondContact OE2-NZ 3.3Å; E214-H239 PolarHBondContact O-N 3.21Å
215	T	98.9	Very high	97.3	Very high	40 Å²	40	39.4 Å²	39.4	25%	0.245	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	124.1	-177.2	-56.8	0	0	0	0	111.4	K190 T191 L192 H239	K190-T215 PolarHBondContact O-N 3.26Å; T191-T215 WeakPolarHBondContact CA-O 3.33Å; T191-T215 HydrophobicContact CG2-CG2 4.18Å; L192-T215 PolarHBondContact N-O 3.44Å; T215-H239 WeakPolarHBondContact CA-O 3.4Å; T215-H239 HydrophobicContact CG2-CB 4.17Å
216	L	98.8	Very high	97.4	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	121	173.7	178.3	57.8	0	0	0	109.7	L192 L194 F207 L213 L218 L231 L234 L237 H239 L240 D241	L192-L216 HydrophobicContact CB-CD1 4.1Å; L192-L216 HydrophobicContact CD2-CD1 3.97Å; L192-L216 HydrophobicContact CG-CD1 3.98Å; L192-L216 WeakPolarHBondContact O-CA 3.46Å; L194-L216 HydrophobicContact CD1-CD1 4.35Å; F207-L216 HydrophobicContact CD2-CD2 4.42Å; F207-L216 HydrophobicContact CE2-CD2 4.06Å; F207-L216 HydrophobicContact CZ-CD2 4.17Å; L213-L216 HydrophobicContact CD2-CB 3.92Å; L213-L216 HydrophobicContact CD2-CD1 4.37Å; L216-L218 HydrophobicContact CD1-CD1 4.41Å; L216-L218 HydrophobicContact CD1-CG 4.23Å; L216-L218 HydrophobicContact CD2-CD1 3.9Å; L216-L218 HydrophobicContact CG-CD1 4.07Å; L216-L218 HydrophobicContact CG-CG 4.24Å; L216-L231 HydrophobicContact CD2-CD2 4.39Å; L216-L234 HydrophobicContact CD2-CD1 3.66Å; L216-L237 HydrophobicContact CB-CD1 3.75Å; L216-L237 HydrophobicContact CB-CD2 4.42Å; L216-H239 PolarHBondContact N-O 3.25Å; L216-L240 HydrophobicContact CB-CD1 4.22Å; L216-L240 HydrophobicContact CD2-CD1 4.06Å; L216-L240 HydrophobicContact CG-CD1 4.16Å; L216-L240 WeakPolarHBondContact O-CA 3.42Å; L216-D241 PolarHBondContact O-N 3.16Å
217	S	98.8	Very high	97.2	Very high	16 Å²	16	43.9 Å²	43.9	11%	0.112	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.2	174.3	167	0	0	0	0	110.1	L192 N193 L194 N195	L192-S217 PolarHBondContact O-N 3.35Å; N193-S217 WeakPolarHBondContact OD1-CB 3.35Å; N193-S217 PolarHBondContact OD1-OG 3.42Å; N193-S217 VanDerWaalsContact OD1-OG 3.08Å; L194-S217 CarbonylContact C-O 3.37Å; L194-S217 WeakPolarHBondContact CA-O 3.1Å; L194-S217 WeakPolarHBondContact CB-O 3.33Å; L194-S217 PolarHBondContact N-O 3.13Å; N195-S217 WeakPolarHBondContact CB-OG 2.82Å; N195-S217 PolarHBondContact N-O 3.2Å
218	L	98.7	Very high	97	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.243	C	C	.	.			trans	-122.6	15.5	176.9	-76.7	161	0	0	0	110.7	L194 I199 I202 F207 L216 N221 D241 L242 N245	L194-L218 HydrophobicContact CB-CD2 3.98Å; L194-L218 HydrophobicContact CD1-CD2 3.87Å; I199-L218 HydrophobicContact CD1-CD2 3.98Å; I202-L218 HydrophobicContact CD1-CD1 3.55Å; I202-L218 HydrophobicContact CD1-CD2 4.08Å; I202-L218 HydrophobicContact CD1-CG 4.45Å; F207-L218 HydrophobicContact CZ-CD1 4.48Å; L216-L218 HydrophobicContact CD1-CD1 4.41Å; L216-L218 HydrophobicContact CD1-CG 4.23Å; L216-L218 HydrophobicContact CD2-CD1 3.9Å; L216-L218 HydrophobicContact CG-CD1 4.07Å; L216-L218 HydrophobicContact CG-CG 4.24Å; L218-N221 WeakPolarHBondContact O-CB 3.15Å; L218-N221 PolarHBondContact O-ND2 2.84Å; L218-D241 CarbonylContact C-O 3.58Å; L218-D241 WeakPolarHBondContact CA-O 3.43Å; L218-D241 PolarHBondContact N-O 3.49Å; L218-L242 HydrophobicContact CB-CD2 3.99Å; L218-L242 HydrophobicContact CD1-CD2 3.86Å; L218-N245 PolarHBondContact O-ND2 2.57Å
219	A	98.7	Very high	96.9	Very high	2 Å²	2	43.2 Å²	43.2	2%	0.017	23%	0.226	C	C	.	.			trans	-63.4	158.9	-177.3	0	0	0	0	0	113.2	N195 H196 N221 D241 G243	N195-A219 CarbonylContact C-O 3.33Å; N195-A219 WeakPolarHBondContact CA-O 3.45Å; N195-A219 HydrophobicContact CB-CB 4.16Å; N195-A219 WeakPolarHBondContact CB-O 3.41Å; H196-A219 PolarHBondContact N-O 3.18Å; A219-N221 VanDerWaalsContact C-N 3.32Å; A219-N221 PolarHBondContact O-N 3.5Å; A219-N221 PolarHBondContact O-ND2 2.85Å; A219-D241 WeakPolarHBondContact CB-OD2 3.34Å; A219-D241 PolarHBondContact N-O 2.82Å; A219-G243 CarbonylContact C-O 3.55Å; A219-G243 WeakPolarHBondContact CA-O 3.3Å; A219-G243 WeakPolarHBondContact CB-O 3.45Å
220	F	98.7	Very high	96.9	Very high	82 Å²	82	39.6 Å²	39.6	36%	0.36	21%	0.209	S	C	.	.	S	Bend	trans	53.2	49.5	178.8	-62.4	-101	0	0	0	112.5	H196 N197 G243 R244	H196-F220 VanDerWaalsContact CA-O 3.27Å; H196-F220 WeakPolarHBondContact CA-O 3.37Å; H196-F220 AromaticContact CD2-CD1 3.99Å; H196-F220 AromaticContact CD2-CG 3.9Å; H196-F220 AromaticContact CE1-CD1 3.95Å; H196-F220 AromaticContact CE1-CD2 3.33Å; H196-F220 WeakPolarHBondContact CE1-CD2 3.43Å; H196-F220 AromaticContact CE1-CE2 3.59Å; H196-F220 AromaticContact CE1-CG 3.51Å; H196-F220 AromaticContact CE1-CZ 3.98Å; H196-F220 PolarHBondContact N-O 2.84Å; H196-F220 AromaticContact ND1-CD2 3.92Å; H196-F220 AromaticContact ND1-CG 3.99Å; H196-F220 AromaticContact NE2-CD1 3.45Å; H196-F220 WeakPolarHBondContact NE2-CD1 3.29Å; H196-F220 AromaticContact NE2-CD2 3.73Å; H196-F220 AromaticContact NE2-CE1 3.66Å; H196-F220 AromaticContact NE2-CE2 3.94Å; H196-F220 AromaticContact NE2-CG 3.45Å; H196-F220 WeakPolarHBondContact NE2-CG 3.39Å; H196-F220 AromaticContact NE2-CZ 3.89Å; N197-F220 PolarHBondContact N-O 3.24Å; F220-G243 PolarHBondContact N-O 3.44Å; F220-R244 VanDerWaalsContact CA-O 3.31Å; F220-R244 WeakPolarHBondContact CA-O 3.41Å; F220-R244 HydrophobicContact CD1-CB 4.22Å; F220-R244 HydrophobicContact CD2-CB 4.3Å; F220-R244 HydrophobicContact CG-CB 4.14Å; F220-R244 HydrophobicContact CZ-CG 4.42Å; F220-R244 PolarHBondContact N-O 2.99Å
221	N	98.8	Very high	96.9	Very high	14 Å²	14	39.7 Å²	39.7	8%	0.075	21%	0.209	C	C	.	.	S	Bend	trans	-119.2	-165.6	173.7	-86.4	-75	0	0	0	109.9	L194 N197 I199 L218 A219 N245	L194-N221 PolarHBondContact O-ND2 3.41Å; N197-N221 VanDerWaalsContact CA-OD1 3.3Å; N197-N221 WeakPolarHBondContact CA-OD1 3.21Å; N197-N221 WeakPolarHBondContact CB-OD1 3.32Å; N197-N221 PolarHBondContact N-OD1 3.02Å; N197-N221 PolarHBondContact O-OD1 3.33Å; N197-N221 VanDerWaalsContact O-OD1 3.12Å; I199-N221 HydrophobicContact CB-CB 4.18Å; I199-N221 VanDerWaalsContact CB-OD1 3.25Å; I199-N221 WeakPolarHBondContact CB-OD1 3.22Å; I199-N221 VanDerWaalsContact CG1-OD1 3.31Å; I199-N221 WeakPolarHBondContact CG1-OD1 3.09Å; I199-N221 PolarHBondContact N-OD1 3.05Å; L218-N221 WeakPolarHBondContact O-CB 3.15Å; L218-N221 PolarHBondContact O-ND2 2.84Å; A219-N221 VanDerWaalsContact C-N 3.32Å; A219-N221 PolarHBondContact O-N 3.5Å; A219-N221 PolarHBondContact O-ND2 2.85Å; N221-N245 VanDerWaalsContact CA-OD1 3.3Å; N221-N245 WeakPolarHBondContact CA-OD1 3.3Å; N221-N245 WeakPolarHBondContact CB-OD1 3.27Å; N221-N245 PolarHBondContact N-OD1 2.91Å; N221-N245 PolarHBondContact O-OD1 3.19Å
222	A	98.2	Very high	96.8	Very high	26 Å²	26	35.4 Å²	35.4	22%	0.215	19%	0.192	C	C	.	.			trans	-115.5	22.3	-176	0	0	0	0	0	113.1	I199 T224 N245	I199-A222 CarbonylContact O-C 3.54Å; I199-A222 VanDerWaalsContact O-C 3.26Å; I199-A222 WeakPolarHBondContact O-CA 3.48Å; I199-A222 PolarHBondContact O-N 2.89Å; A222-T224 PolarHBondContact O-N 3.42Å; A222-N245 PolarHBondContact N-OD1 3.25Å
223	L	98.4	Very high	96.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.184	C	C	.	.			trans	-65.5	125.2	-177.9	-63.5	170.1	0	0	0	110.8	I199 I202 L226 L242 N245 K246 L247	I199-L223 HydrophobicContact CG2-CD2 4.05Å; I199-L223 PolarHBondContact O-N 3.42Å; I202-L223 HydrophobicContact CD1-CD1 4.01Å; I202-L223 HydrophobicContact CD1-CD2 4.15Å; I202-L223 HydrophobicContact CG1-CD2 4.05Å; L223-L226 HydrophobicContact CD1-CD2 4.31Å; L223-L242 HydrophobicContact CD1-CD2 4.16Å; L223-N245 HydrophobicContact CB-CB 4.15Å; L223-N245 WeakPolarHBondContact CB-OD1 3.15Å; L223-N245 PolarHBondContact N-OD1 3.04Å; L223-N245 VanDerWaalsContact N-OD1 3.1Å; L223-K246 CarbonylContact O-C 3.47Å; L223-K246 VanDerWaalsContact O-CA 3.22Å; L223-K246 WeakPolarHBondContact O-CA 3.04Å; L223-K246 WeakPolarHBondContact O-CB 3.48Å; L223-K246 PolarHBondContact O-N 2.92Å; L223-L247 HydrophobicContact CB-CD2 3.85Å; L223-L247 HydrophobicContact CB-CG 4.37Å; L223-L247 PolarHBondContact O-N 3.3Å; L223-L247 VanDerWaalsContact O-N 3.14Å
224	T	97.5	Very high	96.6	Very high	74 Å²	74	32.3 Å²	32.3	45%	0.454	18%	0.184	S	C	.	.			trans	-99.7	-25.5	176	53.8	0	0	0	0	113.2	A222 K246 L247 E248	A222-T224 PolarHBondContact O-N 3.42Å; T224-K246 WeakPolarHBondContact CA-O 3.45Å; T224-K246 HydrophobicContact CG2-CB 4.18Å; T224-L247 WeakPolarHBondContact O-CA 3.31Å; T224-E248 PolarHBondContact O-N 2.8Å
225	S	95.9	Very high	96.4	Very high	62 Å²	62	32.5 Å²	32.5	43%	0.434	19%	0.191	S	C	.	.	B	Isolated β-bridge	trans	-154.1	160.8	176.3	56	0	0	0	0	109.9
226	L	95.5	Very high	96.4	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.052	19%	0.193	C	C	.	.			trans	-102.4	153.5	165	-62.2	-179.5	0	0	0	110	L223 L231 L242 L247 I250 P251 F255	L223-L226 HydrophobicContact CD1-CD2 4.31Å; L226-L231 HydrophobicContact CD1-CD1 4.3Å; L226-L242 HydrophobicContact CD1-CD1 3.91Å; L226-L242 HydrophobicContact CD2-CD2 4.5Å; L226-L247 HydrophobicContact CD2-CD2 4.28Å; L226-L247 HydrophobicContact CG-CD2 4.06Å; L226-I250 HydrophobicContact CD1-CG1 4.24Å; L226-I250 HydrophobicContact CD1-CG2 4.31Å; L226-P251 WeakPolarHBondContact O-CD 3.3Å; L226-P251 VanDerWaalsContact O-CG 3.28Å; L226-P251 WeakPolarHBondContact O-CG 3.1Å; L226-F255 HydrophobicContact CD1-CE1 4.43Å
227	E	91.6	Very high	96.3	Very high	97 Å²	97	33.1 Å²	33.1	45%	0.453	19%	0.193	S	C	.	.			trans	-90.2	150	165.1	-59.6	176.5	175	0	0	109.2	E204 D229 S230	E204-E227 PolarHBondContact N-OE2 2.95Å; E227-D229 VanDerWaalsContact C-N 3.3Å; E227-D229 PolarHBondContact O-N 3.28Å; E227-S230 WeakPolarHBondContact O-CB 3.44Å; E227-S230 PolarHBondContact O-N 3.31Å; E227-S230 VanDerWaalsContact O-N 3.11Å; E227-S230 PolarHBondContact O-OG 3.18Å
228	M	92.2	Very high	96.3	Very high	104 Å²	104	35.4 Å²	35.4	51%	0.512	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-46.1	-174.8	-173.9	176.1	73.6	0	0	112.8	A254	M228-A254 WeakPolarHBondContact O-CA 3.31Å
229	D	92.2	Very high	96.4	Very high	53 Å²	53	38.4 Å²	38.4	28%	0.283	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	15.4	-176.4	-59.7	-56.6	0	0	0	113.4	E204 E227 L231 S232	E204-D229 HydrophobicContact CG-CB 4.2Å; E227-D229 VanDerWaalsContact C-N 3.3Å; E227-D229 PolarHBondContact O-N 3.28Å; D229-L231 PolarHBondContact O-N 2.97Å; D229-S232 VanDerWaalsContact O-CB 3.24Å; D229-S232 WeakPolarHBondContact O-CB 3.38Å; D229-S232 PolarHBondContact O-N 3.02Å; D229-S232 VanDerWaalsContact O-N 3.13Å; D229-S232 PolarHBondContact O-OG 2.99Å
230	S	94.5	Very high	96.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.1	-179	57.6	0	0	0	0	113.6	I202 F207 E227	I202-S230 WeakPolarHBondContact O-CB 3.46Å; F207-S230 WeakPolarHBondContact CD2-O 3.36Å; E227-S230 WeakPolarHBondContact O-CB 3.44Å; E227-S230 PolarHBondContact O-N 3.31Å; E227-S230 VanDerWaalsContact O-N 3.11Å; E227-S230 PolarHBondContact O-OG 3.18Å
231	L	96.5	Very high	96.4	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	11.1	177.6	-59.7	179.3	0	0	0	113	F207 L216 L226 D229 L234 L240 F255 L258	F207-L231 HydrophobicContact CD2-CD2 4.18Å; F207-L231 HydrophobicContact CE2-CD2 4.01Å; L216-L231 HydrophobicContact CD2-CD2 4.39Å; L226-L231 HydrophobicContact CD1-CD1 4.3Å; D229-L231 PolarHBondContact O-N 2.97Å; L231-L234 HydrophobicContact CB-CD1 4.22Å; L231-L234 HydrophobicContact CD2-CD1 4.09Å; L231-L234 WeakPolarHBondContact O-CB 3.41Å; L231-L234 WeakPolarHBondContact O-CG 3.46Å; L231-L240 HydrophobicContact CD1-CD2 3.79Å; L231-F255 HydrophobicContact CD1-CD1 3.98Å; L231-F255 HydrophobicContact CD1-CE1 3.79Å; L231-L258 HydrophobicContact CD1-CD1 4.35Å
232	S	94.3	Very high	96.4	Very high	24 Å²	24	36.1 Å²	36.1	17%	0.168	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	144.2	178.1	62.1	0	0	0	0	112.2	F207 D229	F207-S232 CarbonylContact C-O 3.54Å; D229-S232 VanDerWaalsContact O-CB 3.24Å; D229-S232 WeakPolarHBondContact O-CB 3.38Å; D229-S232 PolarHBondContact O-N 3.02Å; D229-S232 VanDerWaalsContact O-N 3.13Å; D229-S232 PolarHBondContact O-OG 2.99Å
233	G	93.9	Very high	96.4	Very high	24 Å²	24	35 Å²	35	25%	0.247	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	93	-12.9	-177.8	0	0	0	0	0	115.2	S235	G233-S235 PolarHBondContact O-N 3.12Å
234	L	97.1	Very high	96.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.			trans	-81.6	51	179.8	-62.7	180	0	0	0	113	F207 L210 L213 L216 L231 N236 L237 L258	F207-L234 HydrophobicContact CB-CD1 4.22Å; F207-L234 HydrophobicContact CB-CD2 3.72Å; F207-L234 HydrophobicContact CB-CG 3.87Å; F207-L234 HydrophobicContact CD2-CD1 4.03Å; F207-L234 HydrophobicContact CG-CD1 4.3Å; F207-L234 HydrophobicContact CG-CD2 4.34Å; F207-L234 HydrophobicContact CG-CG 4.47Å; L210-L234 HydrophobicContact CB-CD2 3.91Å; L213-L234 HydrophobicContact CB-CD2 4.08Å; L213-L234 HydrophobicContact CD2-CD2 3.58Å; L213-L234 HydrophobicContact CG-CD2 4.45Å; L216-L234 HydrophobicContact CD2-CD1 3.66Å; L231-L234 HydrophobicContact CB-CD1 4.22Å; L231-L234 HydrophobicContact CD2-CD1 4.09Å; L231-L234 WeakPolarHBondContact O-CB 3.41Å; L231-L234 WeakPolarHBondContact O-CG 3.46Å; L234-N236 VanDerWaalsContact C-N 3.29Å; L234-N236 PolarHBondContact O-N 3.44Å; L234-L237 HydrophobicContact CB-CB 4.09Å; L234-L237 HydrophobicContact CB-CD2 4.34Å; L234-L237 HydrophobicContact CD1-CD2 4.04Å; L234-L237 WeakPolarHBondContact O-CB 3.21Å; L234-L237 PolarHBondContact O-N 3.02Å; L234-L258 HydrophobicContact CB-CD2 3.77Å; L234-L258 WeakPolarHBondContact O-CD2 3.37Å
235	S	95.1	Very high	96.5	Very high	52 Å²	52	38.8 Å²	38.8	36%	0.364	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-23.5	-169.5	48.6	0	0	0	0	115.4	G233 H260	G233-S235 PolarHBondContact O-N 3.12Å; S235-H260 PolarHBondContact O-ND1 2.98Å
236	N	97.9	Very high	96.6	Very high	54 Å²	54	40.4 Å²	40.4	29%	0.289	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	13.1	179.8	-71.9	-51.9	0	0	0	113.3	Q211 L213 L234 K238	Q211-N236 WeakPolarHBondContact O-CB 3.05Å; Q211-N236 PolarHBondContact O-ND2 2.85Å; L213-N236 CarbonylContact O-C 3.47Å; L234-N236 VanDerWaalsContact C-N 3.29Å; L234-N236 PolarHBondContact O-N 3.44Å; N236-K238 PolarHBondContact O-N 3.43Å
237	L	98.6	Very high	96.7	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.			trans	-67.3	125.4	-176.2	-163	75	0	0	0	111.1	L213 L216 L234 L240 L258 H260 L261	L213-L237 HydrophobicContact CD2-CD1 4.06Å; L213-L237 HydrophobicContact CG-CD1 4.2Å; L213-L237 WeakPolarHBondContact O-CA 3.46Å; L213-L237 PolarHBondContact O-N 3.32Å; L213-L237 VanDerWaalsContact O-N 3.13Å; L216-L237 HydrophobicContact CB-CD1 3.75Å; L216-L237 HydrophobicContact CB-CD2 4.42Å; L234-L237 HydrophobicContact CB-CB 4.09Å; L234-L237 HydrophobicContact CB-CD2 4.34Å; L234-L237 HydrophobicContact CD1-CD2 4.04Å; L234-L237 WeakPolarHBondContact O-CB 3.21Å; L234-L237 PolarHBondContact O-N 3.02Å; L237-L240 HydrophobicContact CD2-CB 3.85Å; L237-L240 HydrophobicContact CD2-CD1 4.2Å; L237-L240 HydrophobicContact CD2-CD2 4.37Å; L237-L240 HydrophobicContact CD2-CG 4.36Å; L237-L258 HydrophobicContact CB-CD2 4.29Å; L237-L258 HydrophobicContact CD2-CD1 4.32Å; L237-L258 HydrophobicContact CD2-CD2 4.12Å; L237-H260 CarbonylContact O-C 2.96Å; L237-L261 HydrophobicContact CD2-CD1 4.17Å; L237-L261 HydrophobicContact CG-CD1 4.27Å; L237-L261 VanDerWaalsContact O-CA 3.28Å; L237-L261 WeakPolarHBondContact O-CA 3.21Å; L237-L261 PolarHBondContact O-N 3.33Å; L237-L261 VanDerWaalsContact O-N 3.13Å
238	K	98.8	Very high	97	Very high	64 Å²	64	40.4 Å²	40.4	28%	0.278	20%	0.202	S	C	.	.			trans	-104	-37.6	176.9	-64.3	176.4	-177.2	164	0	111.9	E214 N236 E262 T263	E214-K238 HydrophobicContact CB-CD 4.44Å; E214-K238 WeakPolarHBondContact O-CA 3.35Å; E214-K238 PolarHBondContact O-N 2.96Å; E214-K238 IonicContact OE2-NZ 3.93Å; E214-K238 PolarHBondContact OE2-NZ 3.3Å; N236-K238 PolarHBondContact O-N 3.43Å; K238-E262 HydrophobicContact CB-CB 4.46Å; K238-E262 HydrophobicContact CB-CG 4.27Å; K238-E262 HydrophobicContact CG-CG 4.45Å; K238-E262 WeakPolarHBondContact O-CA 3.46Å; K238-E262 PolarHBondContact O-N 2.78Å; K238-T263 PolarHBondContact O-N 2.98Å
239	H	98.9	Very high	97.2	Very high	62 Å²	62	39.8 Å²	39.8	29%	0.287	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	114.5	-174.6	-52.4	-57.4	0	0	0	110.5	E214 T215 L216 E262 T263	E214-H239 PolarHBondContact O-N 3.21Å; T215-H239 WeakPolarHBondContact CA-O 3.4Å; T215-H239 HydrophobicContact CG2-CB 4.17Å; L216-H239 PolarHBondContact N-O 3.25Å; H239-E262 IonicContact CE1-OE2 3.82Å; H239-T263 WeakPolarHBondContact CA-OG1 3.45Å; H239-T263 WeakPolarHBondContact CB-OG1 3.36Å; H239-T263 PolarHBondContact ND1-OG1 2.97Å
240	L	98.8	Very high	97.5	Very high	2 Å²	2	38 Å²	38	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	118.1	174.7	179.3	56.6	0	0	0	109.9	L216 L231 L237 L242 F255 L258 L261 T263 L264 D265	L216-L240 HydrophobicContact CB-CD1 4.22Å; L216-L240 HydrophobicContact CD2-CD1 4.06Å; L216-L240 HydrophobicContact CG-CD1 4.16Å; L216-L240 WeakPolarHBondContact O-CA 3.42Å; L231-L240 HydrophobicContact CD1-CD2 3.79Å; L237-L240 HydrophobicContact CD2-CB 3.85Å; L237-L240 HydrophobicContact CD2-CD1 4.2Å; L237-L240 HydrophobicContact CD2-CD2 4.37Å; L237-L240 HydrophobicContact CD2-CG 4.36Å; L240-L242 HydrophobicContact CD1-CD1 4.44Å; L240-L242 HydrophobicContact CD1-CD2 4.46Å; L240-L242 HydrophobicContact CD1-CG 4.07Å; L240-L242 HydrophobicContact CD2-CD1 3.93Å; L240-L242 HydrophobicContact CD2-CG 4.42Å; L240-L242 HydrophobicContact CG-CD1 4.11Å; L240-L242 HydrophobicContact CG-CG 4.08Å; L240-F255 HydrophobicContact CD2-CD1 4.3Å; L240-F255 HydrophobicContact CD2-CE1 3.87Å; L240-L258 HydrophobicContact CD2-CD1 3.82Å; L240-L261 HydrophobicContact CB-CD1 3.79Å; L240-T263 PolarHBondContact N-O 3.09Å; L240-L264 HydrophobicContact CB-CD1 4.17Å; L240-L264 HydrophobicContact CD2-CD1 3.91Å; L240-L264 HydrophobicContact CG-CD1 4.08Å; L240-D265 PolarHBondContact O-N 3.12Å
241	D	98.9	Very high	97.5	Very high	49 Å²	49	39.8 Å²	39.8	26%	0.262	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	108.9	174.7	-176.3	2.7	0	0	0	110.6	L216 L218 A219 G243 D265	L216-D241 PolarHBondContact O-N 3.16Å; L218-D241 CarbonylContact C-O 3.58Å; L218-D241 WeakPolarHBondContact CA-O 3.43Å; L218-D241 PolarHBondContact N-O 3.49Å; A219-D241 WeakPolarHBondContact CB-OD2 3.34Å; A219-D241 PolarHBondContact N-O 2.82Å; D241-G243 WeakPolarHBondContact OD1-CA 3.34Å; D241-G243 PolarHBondContact OD1-N 2.94Å; D241-D265 HydrophobicContact CB-CB 4.49Å
242	L	98.8	Very high	97.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.231	C	C	.	.			trans	-111	13.3	173.7	-68.3	165.3	0	0	0	111	L218 L223 L226 L240 N245 L247 F255 D265 V266 N269	L218-L242 HydrophobicContact CB-CD2 3.99Å; L218-L242 HydrophobicContact CD1-CD2 3.86Å; L223-L242 HydrophobicContact CD1-CD2 4.16Å; L226-L242 HydrophobicContact CD1-CD1 3.91Å; L226-L242 HydrophobicContact CD2-CD2 4.5Å; L240-L242 HydrophobicContact CD1-CD1 4.44Å; L240-L242 HydrophobicContact CD1-CD2 4.46Å; L240-L242 HydrophobicContact CD1-CG 4.07Å; L240-L242 HydrophobicContact CD2-CD1 3.93Å; L240-L242 HydrophobicContact CD2-CG 4.42Å; L240-L242 HydrophobicContact CG-CD1 4.11Å; L240-L242 HydrophobicContact CG-CG 4.08Å; L242-N245 PolarHBondContact O-ND2 2.94Å; L242-L247 HydrophobicContact CB-CD1 4.18Å; L242-F255 HydrophobicContact CD1-CE1 4.19Å; L242-F255 HydrophobicContact CD1-CZ 4.27Å; L242-D265 CarbonylContact C-O 3.48Å; L242-D265 WeakPolarHBondContact CA-O 3.47Å; L242-D265 WeakPolarHBondContact CB-O 3.49Å; L242-D265 PolarHBondContact N-O 3.08Å; L242-V266 HydrophobicContact CB-CG1 4.2Å; L242-V266 HydrophobicContact CD1-CG1 4.12Å; L242-N269 PolarHBondContact O-ND2 2.81Å
243	G	98.6	Very high	97.5	Very high	3 Å²	3	43.2 Å²	43.2	3%	0.031	23%	0.229	C	C	.	.			trans	-62	152.2	-174	0	0	0	0	0	112.9	A219 F220 D241 N245 D265 G267	A219-G243 CarbonylContact C-O 3.55Å; A219-G243 WeakPolarHBondContact CA-O 3.3Å; A219-G243 WeakPolarHBondContact CB-O 3.45Å; F220-G243 PolarHBondContact N-O 3.44Å; D241-G243 WeakPolarHBondContact OD1-CA 3.34Å; D241-G243 PolarHBondContact OD1-N 2.94Å; G243-N245 VanDerWaalsContact C-N 3.31Å; G243-N245 PolarHBondContact O-N 3.03Å; G243-N245 PolarHBondContact O-ND2 2.81Å; G243-D265 PolarHBondContact N-O 3.45Å; G243-G267 CarbonylContact C-O 3.54Å; G243-G267 WeakPolarHBondContact CA-O 3.19Å
244	R	98.8	Very high	97.6	Very high	141 Å²	141	42.4 Å²	42.4	53%	0.532	22%	0.22	S	C	.	.	S	Bend	trans	56.5	44.4	175.1	-61	173.1	172	-107.6	0.8	113.1	F220 G267 S268	F220-R244 VanDerWaalsContact CA-O 3.31Å; F220-R244 WeakPolarHBondContact CA-O 3.41Å; F220-R244 HydrophobicContact CD1-CB 4.22Å; F220-R244 HydrophobicContact CD2-CB 4.3Å; F220-R244 HydrophobicContact CG-CB 4.14Å; F220-R244 HydrophobicContact CZ-CG 4.42Å; F220-R244 PolarHBondContact N-O 2.99Å; R244-G267 PolarHBondContact N-O 3.45Å; R244-S268 WeakPolarHBondContact CA-O 3.29Å; R244-S268 VanDerWaalsContact CG-CB 3.45Å; R244-S268 PolarHBondContact N-O 3.17Å
245	N	98.8	Very high	97.6	Very high	12 Å²	12	42.5 Å²	42.5	6%	0.064	22%	0.22	C	C	.	.	S	Bend	trans	-105.1	-159.2	167	-85.8	-78.4	0	0	0	109.1	L218 N221 A222 L223 L242 G243 L247 N269	L218-N245 PolarHBondContact O-ND2 2.57Å; N221-N245 VanDerWaalsContact CA-OD1 3.3Å; N221-N245 WeakPolarHBondContact CA-OD1 3.3Å; N221-N245 WeakPolarHBondContact CB-OD1 3.27Å; N221-N245 PolarHBondContact N-OD1 2.91Å; N221-N245 PolarHBondContact O-OD1 3.19Å; A222-N245 PolarHBondContact N-OD1 3.25Å; L223-N245 HydrophobicContact CB-CB 4.15Å; L223-N245 WeakPolarHBondContact CB-OD1 3.15Å; L223-N245 PolarHBondContact N-OD1 3.04Å; L223-N245 VanDerWaalsContact N-OD1 3.1Å; L242-N245 PolarHBondContact O-ND2 2.94Å; G243-N245 VanDerWaalsContact C-N 3.31Å; G243-N245 PolarHBondContact O-N 3.03Å; G243-N245 PolarHBondContact O-ND2 2.81Å; N245-L247 HydrophobicContact CB-CG 4.14Å; N245-N269 VanDerWaalsContact CA-OD1 3.28Å; N245-N269 WeakPolarHBondContact CA-OD1 3.35Å; N245-N269 WeakPolarHBondContact CB-OD1 3.07Å; N245-N269 PolarHBondContact N-OD1 3.34Å; N245-N269 PolarHBondContact O-OD1 3.34Å
246	K	98.3	Very high	97.6	Very high	96 Å²	96	43.8 Å²	43.8	42%	0.417	22%	0.223	S	C	.	.			trans	-121.6	27.7	176.8	-58.5	174.9	-174.1	171.6	0	110.5	L223 T224 E248 N269	L223-K246 CarbonylContact O-C 3.47Å; L223-K246 VanDerWaalsContact O-CA 3.22Å; L223-K246 WeakPolarHBondContact O-CA 3.04Å; L223-K246 WeakPolarHBondContact O-CB 3.48Å; L223-K246 PolarHBondContact O-N 2.92Å; T224-K246 WeakPolarHBondContact CA-O 3.45Å; T224-K246 HydrophobicContact CG2-CB 4.18Å; K246-E248 PolarHBondContact O-N 3.46Å; K246-E248 VanDerWaalsContact O-N 3.15Å; K246-N269 PolarHBondContact N-OD1 2.69Å
247	L	98.5	Very high	97.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.232	C	C	.	.			trans	-63.6	116.1	-173.1	-66.3	170.7	0	0	0	110.1	L223 T224 L226 L242 N245 I250 N269 R270 L271	L223-L247 HydrophobicContact CB-CD2 3.85Å; L223-L247 HydrophobicContact CB-CG 4.37Å; L223-L247 PolarHBondContact O-N 3.3Å; L223-L247 VanDerWaalsContact O-N 3.14Å; T224-L247 WeakPolarHBondContact O-CA 3.31Å; L226-L247 HydrophobicContact CD2-CD2 4.28Å; L226-L247 HydrophobicContact CG-CD2 4.06Å; L242-L247 HydrophobicContact CB-CD1 4.18Å; N245-L247 HydrophobicContact CB-CG 4.14Å; L247-I250 HydrophobicContact CD1-CD1 4.37Å; L247-I250 HydrophobicContact CD1-CG1 4.44Å; L247-N269 HydrophobicContact CB-CB 4.13Å; L247-N269 WeakPolarHBondContact CB-OD1 3.4Å; L247-N269 WeakPolarHBondContact CG-OD1 3.46Å; L247-N269 PolarHBondContact N-OD1 3Å; L247-R270 CarbonylContact O-C 3.19Å; L247-R270 WeakPolarHBondContact O-CA 3.49Å; L247-R270 PolarHBondContact O-N 3.22Å; L247-L271 HydrophobicContact CB-CD2 4.07Å; L247-L271 PolarHBondContact O-N 3.08Å
248	E	97.9	Very high	97.2	Very high	106 Å²	106	46.3 Å²	46.3	50%	0.495	23%	0.233	S	C	.	.	S	Bend	trans	-96.5	-30.8	173.9	-70.7	178.4	-165.2	0	0	111.2	T224 K246 R270	T224-E248 PolarHBondContact O-N 2.8Å; K246-E248 PolarHBondContact O-N 3.46Å; K246-E248 VanDerWaalsContact O-N 3.15Å; E248-R270 HydrophobicContact CG-CB 3.73Å; E248-R270 IonicContact OE1-NH1 2.91Å; E248-R270 PolarHBondContact OE1-NH1 2.8Å
249	V	96	Very high	97.1	Very high	91 Å²	91	47.6 Å²	47.6	55%	0.552	24%	0.242	S	C	*	.	B	Isolated β-bridge	trans	-139.9	131.5	-179.1	-177.7	0	0	0	0	110.1
250	I	97.5	Very high	97	Very high	15 Å²	15	48.8 Å²	48.8	8%	0.077	25%	0.248	C	C	.	.			trans	-110.3	117.8	162.2	-65.7	163.7	0	0	0	106.4	L226 L247 A254 F255 V266 L271 L274	L226-I250 HydrophobicContact CD1-CG1 4.24Å; L226-I250 HydrophobicContact CD1-CG2 4.31Å; L247-I250 HydrophobicContact CD1-CD1 4.37Å; L247-I250 HydrophobicContact CD1-CG1 4.44Å; I250-A254 HydrophobicContact CG2-CB 3.64Å; I250-F255 HydrophobicContact CD1-CE2 4.26Å; I250-F255 HydrophobicContact CD1-CZ 4.04Å; I250-F255 HydrophobicContact CG2-CD2 4.43Å; I250-F255 HydrophobicContact CG2-CE2 3.68Å; I250-F255 HydrophobicContact CG2-CZ 3.84Å; I250-V266 HydrophobicContact CD1-CG1 4.09Å; I250-L271 HydrophobicContact CD1-CD1 3.85Å; I250-L271 HydrophobicContact CD1-CD2 3.9Å; I250-L271 HydrophobicContact CG1-CD2 3.99Å; I250-L274 HydrophobicContact CB-CD1 4.3Å; I250-L274 HydrophobicContact CD1-CD1 3.85Å; I250-L274 HydrophobicContact CG2-CD1 4.48Å
251	P	96.2	Very high	97	Very high	38 Å²	38	48.7 Å²	48.7	25%	0.247	25%	0.247	C	C	.	.			trans	-66.4	151.5	-177.5	27	-32.5	0	0	0	111.3	L226 G253 A254	L226-P251 WeakPolarHBondContact O-CD 3.3Å; L226-P251 VanDerWaalsContact O-CG 3.28Å; L226-P251 WeakPolarHBondContact O-CG 3.1Å; P251-G253 PolarHBondContact O-N 3.06Å; P251-A254 HydrophobicContact CG-CB 4.21Å; P251-A254 VanDerWaalsContact O-CB 3.24Å; P251-A254 WeakPolarHBondContact O-CB 3.25Å; P251-A254 PolarHBondContact O-N 3.26Å
252	V	95.5	Very high	97	Very high	86 Å²	86	49.1 Å²	49.1	52%	0.521	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	136.8	170.7	-176.1	0	0	0	0	108.9	Q275	V252-Q275 HydrophobicContact CG2-CB 4.49Å
253	G	94.3	Very high	97	Very high	13 Å²	13	51 Å²	51	13%	0.134	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.1	-16.5	-178	0	0	0	0	0	114.9	P251 F255 D256	P251-G253 PolarHBondContact O-N 3.06Å; G253-F255 PolarHBondContact O-N 2.79Å; G253-D256 VanDerWaalsContact CA-CG 3.48Å; G253-D256 WeakPolarHBondContact CA-OD1 3.38Å; G253-D256 WeakPolarHBondContact O-CB 3.36Å; G253-D256 PolarHBondContact O-N 2.91Å
254	A	95.9	Very high	97	Very high	6 Å²	6	50.9 Å²	50.9	5%	0.05	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-22.1	-174.5	0	0	0	0	0	115	M228 I250 P251	M228-A254 WeakPolarHBondContact O-CA 3.31Å; I250-A254 HydrophobicContact CG2-CB 3.64Å; P251-A254 HydrophobicContact CG-CB 4.21Å; P251-A254 VanDerWaalsContact O-CB 3.24Å; P251-A254 WeakPolarHBondContact O-CB 3.25Å; P251-A254 PolarHBondContact O-N 3.26Å
255	F	97	Very high	97	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.009	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116	5.8	-178.5	-56.2	-49.3	0	0	0	114	L226 L231 L240 L242 I250 G253 H257 L258 L264 L274 L276 P277	L226-F255 HydrophobicContact CD1-CE1 4.43Å; L231-F255 HydrophobicContact CD1-CD1 3.98Å; L231-F255 HydrophobicContact CD1-CE1 3.79Å; L240-F255 HydrophobicContact CD2-CD1 4.3Å; L240-F255 HydrophobicContact CD2-CE1 3.87Å; L242-F255 HydrophobicContact CD1-CE1 4.19Å; L242-F255 HydrophobicContact CD1-CZ 4.27Å; I250-F255 HydrophobicContact CD1-CE2 4.26Å; I250-F255 HydrophobicContact CD1-CZ 4.04Å; I250-F255 HydrophobicContact CG2-CD2 4.43Å; I250-F255 HydrophobicContact CG2-CE2 3.68Å; I250-F255 HydrophobicContact CG2-CZ 3.84Å; G253-F255 PolarHBondContact O-N 2.79Å; F255-H257 PolarHBondContact O-N 3.06Å; F255-H257 VanDerWaalsContact O-N 3.11Å; F255-L258 HydrophobicContact CB-CD1 4.3Å; F255-L258 HydrophobicContact CD1-CD1 3.69Å; F255-L258 HydrophobicContact CG-CD1 4.43Å; F255-L258 PolarHBondContact O-N 3.27Å; F255-L264 HydrophobicContact CD2-CD2 4.49Å; F255-L264 HydrophobicContact CE1-CD1 4.4Å; F255-L264 HydrophobicContact CE2-CD2 4.19Å; F255-L264 HydrophobicContact CZ-CD1 4.31Å; F255-L264 HydrophobicContact CZ-CD2 4.39Å; F255-L274 HydrophobicContact CE2-CD1 3.99Å; F255-L276 HydrophobicContact CD2-CD2 3.79Å; F255-L276 HydrophobicContact CE2-CD2 4.15Å; F255-P277 HydrophobicContact CB-CG 4.02Å
256	D	94.6	Very high	97	Very high	80 Å²	80	45.2 Å²	45.2	43%	0.428	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.8	-170	-75.8	10.9	0	0	0	113.4	G253 P277	G253-D256 VanDerWaalsContact CA-CG 3.48Å; G253-D256 WeakPolarHBondContact CA-OD1 3.38Å; G253-D256 WeakPolarHBondContact O-CB 3.36Å; G253-D256 PolarHBondContact O-N 2.91Å; D256-P277 WeakPolarHBondContact OD1-CB 3.43Å
257	H	92.4	Very high	97	Very high	105 Å²	105	40.6 Å²	40.6	49%	0.486	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-4.7	-179.7	-60.8	-52.4	0	0	0	114.3	F255 L259	F255-H257 PolarHBondContact O-N 3.06Å; F255-H257 VanDerWaalsContact O-N 3.11Å; H257-L259 VanDerWaalsContact C-N 3.31Å; H257-L259 PolarHBondContact O-N 3.22Å; H257-L259 VanDerWaalsContact O-N 3.16Å
258	L	97	Very high	97.1	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	22%	0.224	C	C	.	.			trans	-92	52.2	-173	-51.5	-175.4	0	0	0	112	L231 L234 L237 L240 F255 H260 L261 L279	L231-L258 HydrophobicContact CD1-CD1 4.35Å; L234-L258 HydrophobicContact CB-CD2 3.77Å; L234-L258 WeakPolarHBondContact O-CD2 3.37Å; L237-L258 HydrophobicContact CB-CD2 4.29Å; L237-L258 HydrophobicContact CD2-CD1 4.32Å; L237-L258 HydrophobicContact CD2-CD2 4.12Å; L240-L258 HydrophobicContact CD2-CD1 3.82Å; F255-L258 HydrophobicContact CB-CD1 4.3Å; F255-L258 HydrophobicContact CD1-CD1 3.69Å; F255-L258 HydrophobicContact CG-CD1 4.43Å; F255-L258 PolarHBondContact O-N 3.27Å; L258-H260 PolarHBondContact O-N 3.36Å; L258-H260 VanDerWaalsContact O-N 3.16Å; L258-L261 HydrophobicContact CB-CB 4.15Å; L258-L261 HydrophobicContact CB-CD2 4.39Å; L258-L261 HydrophobicContact CD1-CD2 4.26Å; L258-L261 VanDerWaalsContact O-CB 3.22Å; L258-L261 WeakPolarHBondContact O-CB 3.18Å; L258-L261 PolarHBondContact O-N 2.89Å; L258-L261 VanDerWaalsContact O-N 3.1Å; L258-L279 WeakPolarHBondContact O-CD2 3Å
259	L	95.6	Very high	97.1	Very high	92 Å²	92	37 Å²	37	48%	0.482	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-19.4	-171	-59	176.9	0	0	0	114.3	H257 N281	H257-L259 VanDerWaalsContact C-N 3.31Å; H257-L259 PolarHBondContact O-N 3.22Å; H257-L259 VanDerWaalsContact O-N 3.16Å; L259-N281 PolarHBondContact O-ND2 3.31Å
260	H	98.1	Very high	97.2	Very high	86 Å²	86	38.6 Å²	38.6	40%	0.398	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	6.7	178	-64.2	96.8	0	0	0	113.3	S235 L237 L258 E262	S235-H260 PolarHBondContact O-ND1 2.98Å; L237-H260 CarbonylContact O-C 2.96Å; L258-H260 PolarHBondContact O-N 3.36Å; L258-H260 VanDerWaalsContact O-N 3.16Å; H260-E262 PolarHBondContact O-N 3.36Å
261	L	98.6	Very high	97.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.196	C	C	.	.			trans	-65.6	123.7	-174.9	-159.6	71	0	0	0	111.1	L237 L240 L258 L264 L279 N281 L282	L237-L261 HydrophobicContact CD2-CD1 4.17Å; L237-L261 HydrophobicContact CG-CD1 4.27Å; L237-L261 VanDerWaalsContact O-CA 3.28Å; L237-L261 WeakPolarHBondContact O-CA 3.21Å; L237-L261 PolarHBondContact O-N 3.33Å; L237-L261 VanDerWaalsContact O-N 3.13Å; L240-L261 HydrophobicContact CB-CD1 3.79Å; L258-L261 HydrophobicContact CB-CB 4.15Å; L258-L261 HydrophobicContact CB-CD2 4.39Å; L258-L261 HydrophobicContact CD1-CD2 4.26Å; L258-L261 VanDerWaalsContact O-CB 3.22Å; L258-L261 WeakPolarHBondContact O-CB 3.18Å; L258-L261 PolarHBondContact O-N 2.89Å; L258-L261 VanDerWaalsContact O-N 3.1Å; L261-L264 HydrophobicContact CD2-CB 3.89Å; L261-L264 HydrophobicContact CD2-CD1 4.26Å; L261-L264 HydrophobicContact CD2-CD2 4.39Å; L261-L264 HydrophobicContact CD2-CG 4.41Å; L261-L279 HydrophobicContact CB-CD2 4.5Å; L261-L279 HydrophobicContact CD2-CD1 4.43Å; L261-N281 CarbonylContact O-C 3.54Å; L261-L282 HydrophobicContact CD2-CD1 4.19Å; L261-L282 HydrophobicContact CG-CD1 4.17Å; L261-L282 WeakPolarHBondContact O-CA 3.39Å; L261-L282 PolarHBondContact O-N 3.13Å
262	E	98.8	Very high	97.4	Very high	59 Å²	59	43.4 Å²	43.4	28%	0.276	22%	0.216	S	C	.	.			trans	-104.5	-34.3	178.7	-65.5	177.7	-165.2	0	0	111.5	K238 H239 H260 N281 M283 A284	K238-E262 HydrophobicContact CB-CB 4.46Å; K238-E262 HydrophobicContact CB-CG 4.27Å; K238-E262 HydrophobicContact CG-CG 4.45Å; K238-E262 WeakPolarHBondContact O-CA 3.46Å; K238-E262 PolarHBondContact O-N 2.78Å; H239-E262 IonicContact CE1-OE2 3.82Å; H260-E262 PolarHBondContact O-N 3.36Å; E262-N281 WeakPolarHBondContact CA-O 3.5Å; E262-N281 HydrophobicContact CG-CB 4.4Å; E262-M283 PolarHBondContact O-N 3.12Å; E262-A284 PolarHBondContact O-N 2.83Å; E262-A284 VanDerWaalsContact O-N 3.1Å
263	T	98.9	Very high	97.5	Very high	40 Å²	40	42 Å²	42	25%	0.245	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	128	177.5	68	0	0	0	0	111.4	K238 H239 L240 A284	K238-T263 PolarHBondContact O-N 2.98Å; H239-T263 WeakPolarHBondContact CA-OG1 3.45Å; H239-T263 WeakPolarHBondContact CB-OG1 3.36Å; H239-T263 PolarHBondContact ND1-OG1 2.97Å; L240-T263 PolarHBondContact N-O 3.09Å; T263-A284 WeakPolarHBondContact CA-O 3.39Å; T263-A284 HydrophobicContact CG2-CB 4.11Å
264	L	98.9	Very high	97.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	114.3	173.4	178.6	57.2	0	0	0	109.4	L240 F255 L261 V266 L276 L282 A284 L285 F286	L240-L264 HydrophobicContact CB-CD1 4.17Å; L240-L264 HydrophobicContact CD2-CD1 3.91Å; L240-L264 HydrophobicContact CG-CD1 4.08Å; F255-L264 HydrophobicContact CD2-CD2 4.49Å; F255-L264 HydrophobicContact CE1-CD1 4.4Å; F255-L264 HydrophobicContact CE2-CD2 4.19Å; F255-L264 HydrophobicContact CZ-CD1 4.31Å; F255-L264 HydrophobicContact CZ-CD2 4.39Å; L261-L264 HydrophobicContact CD2-CB 3.89Å; L261-L264 HydrophobicContact CD2-CD1 4.26Å; L261-L264 HydrophobicContact CD2-CD2 4.39Å; L261-L264 HydrophobicContact CD2-CG 4.41Å; L264-V266 HydrophobicContact CD1-CG1 3.91Å; L264-V266 HydrophobicContact CG-CG1 4.17Å; L264-L276 HydrophobicContact CD2-CD2 3.76Å; L264-L282 HydrophobicContact CB-CD1 3.87Å; L264-A284 PolarHBondContact N-O 3.16Å; L264-L285 HydrophobicContact CB-CD1 4.07Å; L264-L285 HydrophobicContact CD2-CD1 3.96Å; L264-L285 HydrophobicContact CG-CD1 4.09Å; L264-F286 PolarHBondContact O-N 3.38Å
265	D	98.9	Very high	97.8	Very high	33 Å²	33	45.1 Å²	45.1	18%	0.176	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	114	170.2	-164	-20	0	0	0	110.7	L240 D241 L242 G243 G267 F286 H288	L240-D265 PolarHBondContact O-N 3.12Å; D241-D265 HydrophobicContact CB-CB 4.49Å; L242-D265 CarbonylContact C-O 3.48Å; L242-D265 WeakPolarHBondContact CA-O 3.47Å; L242-D265 WeakPolarHBondContact CB-O 3.49Å; L242-D265 PolarHBondContact N-O 3.08Å; G243-D265 PolarHBondContact N-O 3.45Å; D265-G267 WeakPolarHBondContact OD1-CA 3.15Å; D265-G267 PolarHBondContact OD1-N 3.05Å; D265-F286 HydrophobicContact CB-CB 4.13Å; D265-F286 HydrophobicContact CB-CD2 4.07Å; D265-F286 HydrophobicContact CB-CG 4.38Å; D265-F286 WeakPolarHBondContact OD1-CB 3.37Å; D265-H288 IonicContact OD1-CE1 2.84Å
266	V	98.8	Very high	97.8	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.			trans	-124.1	21.2	171.1	-68	0	0	0	0	110.3	L242 I250 L264 N269 L271 L274 F286 L287 N290	L242-V266 HydrophobicContact CB-CG1 4.2Å; L242-V266 HydrophobicContact CD1-CG1 4.12Å; I250-V266 HydrophobicContact CD1-CG1 4.09Å; L264-V266 HydrophobicContact CD1-CG1 3.91Å; L264-V266 HydrophobicContact CG-CG1 4.17Å; V266-N269 PolarHBondContact O-ND2 2.89Å; V266-L271 HydrophobicContact CB-CD1 3.99Å; V266-L271 HydrophobicContact CG2-CD1 4.03Å; V266-L274 HydrophobicContact CG2-CD2 4.25Å; V266-F286 CarbonylContact C-O 3.39Å; V266-F286 VanDerWaalsContact CG2-O 3.31Å; V266-F286 WeakPolarHBondContact CG2-O 3.45Å; V266-F286 PolarHBondContact N-O 2.9Å; V266-L287 HydrophobicContact CG2-CD2 3.48Å; V266-L287 VanDerWaalsContact CG2-CD2 3.48Å; V266-L287 HydrophobicContact CG2-CG 4.01Å; V266-N290 PolarHBondContact O-ND2 3.38Å
267	G	98.8	Very high	97.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.209	C	C	.	.			trans	-68.9	160.4	-179.7	0	0	0	0	0	113.1	G243 R244 D265 N269 F286 H288	G243-G267 CarbonylContact C-O 3.54Å; G243-G267 WeakPolarHBondContact CA-O 3.19Å; R244-G267 PolarHBondContact N-O 3.45Å; D265-G267 WeakPolarHBondContact OD1-CA 3.15Å; D265-G267 PolarHBondContact OD1-N 3.05Å; G267-N269 VanDerWaalsContact C-N 3.31Å; G267-N269 PolarHBondContact O-N 2.91Å; G267-N269 PolarHBondContact O-ND2 3.09Å; G267-F286 PolarHBondContact N-O 2.95Å; G267-H288 CarbonylContact C-O 3.53Å; G267-H288 WeakPolarHBondContact CA-O 3.48Å
268	S	98.8	Very high	98.1	Very high	18 Å²	18	40.1 Å²	40.1	13%	0.126	20%	0.204	C	C	.	.	S	Bend	trans	54.4	46.3	-178.1	-58	0	0	0	0	112.8	R244 H288 N289	R244-S268 WeakPolarHBondContact CA-O 3.29Å; R244-S268 VanDerWaalsContact CG-CB 3.45Å; R244-S268 PolarHBondContact N-O 3.17Å; S268-H288 PolarHBondContact N-O 2.98Å; S268-N289 CarbonylContact C-O 3.48Å; S268-N289 WeakPolarHBondContact CA-O 3.49Å; S268-N289 PolarHBondContact N-O 2.92Å; S268-N289 PolarHBondContact OG-ND2 3.17Å; S268-N289 VanDerWaalsContact OG-ND2 3.14Å
269	N	98.8	Very high	98.1	Very high	11 Å²	11	40.2 Å²	40.2	6%	0.059	21%	0.205	C	C	.	.	S	Bend	trans	-118.4	-160.2	173.8	-84	-70.7	0	0	0	109.3	L242 N245 K246 L247 V266 G267 L271 N289 N290	L242-N269 PolarHBondContact O-ND2 2.81Å; N245-N269 VanDerWaalsContact CA-OD1 3.28Å; N245-N269 WeakPolarHBondContact CA-OD1 3.35Å; N245-N269 WeakPolarHBondContact CB-OD1 3.07Å; N245-N269 PolarHBondContact N-OD1 3.34Å; N245-N269 PolarHBondContact O-OD1 3.34Å; K246-N269 PolarHBondContact N-OD1 2.69Å; L247-N269 HydrophobicContact CB-CB 4.13Å; L247-N269 WeakPolarHBondContact CB-OD1 3.4Å; L247-N269 WeakPolarHBondContact CG-OD1 3.46Å; L247-N269 PolarHBondContact N-OD1 3Å; V266-N269 PolarHBondContact O-ND2 2.89Å; G267-N269 VanDerWaalsContact C-N 3.31Å; G267-N269 PolarHBondContact O-N 2.91Å; G267-N269 PolarHBondContact O-ND2 3.09Å; N269-L271 HydrophobicContact CB-CG 4.18Å; N269-N289 PolarHBondContact N-O 3.23Å; N269-N289 VanDerWaalsContact N-O 3.14Å; N269-N290 WeakPolarHBondContact CA-OD1 3.48Å; N269-N290 WeakPolarHBondContact CB-OD1 3.45Å; N269-N290 PolarHBondContact N-OD1 3.11Å; N269-N290 PolarHBondContact O-OD1 3.23Å
270	R	98.5	Very high	98.2	Very high	125 Å²	125	39 Å²	39	47%	0.472	20%	0.202	S	C	.	.			trans	-123.5	27.6	-179.6	-60.8	177.4	179.6	-172.7	-3.3	111.3	L247 E248 K272 N290	L247-R270 CarbonylContact O-C 3.19Å; L247-R270 WeakPolarHBondContact O-CA 3.49Å; L247-R270 PolarHBondContact O-N 3.22Å; E248-R270 HydrophobicContact CG-CB 3.73Å; E248-R270 IonicContact OE1-NH1 2.91Å; E248-R270 PolarHBondContact OE1-NH1 2.8Å; R270-K272 PolarHBondContact O-N 3.22Å; R270-N290 PolarHBondContact N-OD1 3.14Å
271	L	98.6	Very high	98.2	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.2	C	C	.	.			trans	-68.7	125.8	-174.2	-61.4	173.3	0	0	0	110.1	L247 I250 V266 N269 L287 N290 S291 L292	L247-L271 HydrophobicContact CB-CD2 4.07Å; L247-L271 PolarHBondContact O-N 3.08Å; I250-L271 HydrophobicContact CD1-CD1 3.85Å; I250-L271 HydrophobicContact CD1-CD2 3.9Å; I250-L271 HydrophobicContact CG1-CD2 3.99Å; V266-L271 HydrophobicContact CB-CD1 3.99Å; V266-L271 HydrophobicContact CG2-CD1 4.03Å; N269-L271 HydrophobicContact CB-CG 4.18Å; L271-L287 HydrophobicContact CD1-CD2 4.44Å; L271-N290 HydrophobicContact CB-CB 4.4Å; L271-N290 WeakPolarHBondContact CB-OD1 3.42Å; L271-N290 WeakPolarHBondContact CG-OD1 3.46Å; L271-N290 PolarHBondContact N-OD1 3.19Å; L271-S291 CarbonylContact O-C 3.24Å; L271-S291 VanDerWaalsContact O-C 3.25Å; L271-S291 VanDerWaalsContact O-CA 3.28Å; L271-S291 WeakPolarHBondContact O-CA 3.15Å; L271-S291 WeakPolarHBondContact O-CB 3.26Å; L271-S291 PolarHBondContact O-N 3.31Å; L271-L292 PolarHBondContact O-N 2.81Å
272	K	98.4	Very high	98.2	Very high	154 Å²	154	38 Å²	38	67%	0.67	20%	0.2	S	C	*	.	S	Bend	trans	-92.3	-21.2	169.9	-66	179.8	-177.9	174.4	0	112.6	R270 D297	R270-K272 PolarHBondContact O-N 3.22Å; K272-D297 WeakPolarHBondContact O-CB 3.46Å
273	A	98.1	Very high	98.2	Very high	56 Å²	56	39.3 Å²	39.3	46%	0.463	21%	0.207	S	C	.	.			trans	-155	159.7	176.6	0	0	0	0	0	109.5	D297	A273-D297 CarbonylContact C-O 3.49Å; A273-D297 WeakPolarHBondContact CA-O 3.39Å; A273-D297 HydrophobicContact CB-CB 4.43Å; A273-D297 WeakPolarHBondContact CB-O 3.09Å
274	L	98.1	Very high	98.2	Very high	4 Å²	4	38 Å²	38	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	133.5	175.3	176.6	62.6	0	0	0	109.3	I250 F255 V266 L276 L287 D297 I298 S299	I250-L274 HydrophobicContact CB-CD1 4.3Å; I250-L274 HydrophobicContact CD1-CD1 3.85Å; I250-L274 HydrophobicContact CG2-CD1 4.48Å; F255-L274 HydrophobicContact CE2-CD1 3.99Å; V266-L274 HydrophobicContact CG2-CD2 4.25Å; L274-L276 HydrophobicContact CD1-CD2 4.39Å; L274-L276 HydrophobicContact CD2-CD1 4.21Å; L274-L276 HydrophobicContact CD2-CD2 3.98Å; L274-L276 HydrophobicContact CD2-CG 4.03Å; L274-L276 HydrophobicContact CG-CD2 4.17Å; L274-L276 HydrophobicContact CG-CG 4.11Å; L274-L287 HydrophobicContact CD2-CD1 4.28Å; L274-L287 HydrophobicContact CD2-CD2 3.76Å; L274-L287 HydrophobicContact CD2-CG 4.41Å; L274-D297 PolarHBondContact N-O 2.92Å; L274-I298 CarbonylContact O-C 3.07Å; L274-I298 WeakPolarHBondContact O-CA 3.22Å; L274-S299 PolarHBondContact O-N 3.02Å
275	Q	97.7	Very high	98.2	Very high	82 Å²	82	38 Å²	38	38%	0.383	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	131	169	-174.5	167.8	-21.6	0	0	110.2	V252 S299	V252-Q275 HydrophobicContact CG2-CB 4.49Å; Q275-S299 CarbonylContact C-O 3.6Å; Q275-S299 VanDerWaalsContact CA-O 3.27Å; Q275-S299 WeakPolarHBondContact CA-O 3.44Å
276	L	98	Very high	98.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.4	177.2	-66	175.7	0	0	0	110.9	F255 L264 L274 L279 L285 I298 S299 L300 H301 L304	F255-L276 HydrophobicContact CD2-CD2 3.79Å; F255-L276 HydrophobicContact CE2-CD2 4.15Å; L264-L276 HydrophobicContact CD2-CD2 3.76Å; L274-L276 HydrophobicContact CD1-CD2 4.39Å; L274-L276 HydrophobicContact CD2-CD1 4.21Å; L274-L276 HydrophobicContact CD2-CD2 3.98Å; L274-L276 HydrophobicContact CD2-CG 4.03Å; L274-L276 HydrophobicContact CG-CD2 4.17Å; L274-L276 HydrophobicContact CG-CG 4.11Å; L276-L279 HydrophobicContact CD2-CD1 4.18Å; L276-L285 HydrophobicContact CD1-CD1 4.34Å; L276-L285 HydrophobicContact CD1-CD2 3.74Å; L276-I298 HydrophobicContact CD1-CG2 4.49Å; L276-S299 PolarHBondContact N-O 3.4Å; L276-L300 HydrophobicContact CB-CD2 3.9Å; L276-L300 HydrophobicContact CD1-CD2 3.98Å; L276-L300 HydrophobicContact CG-CD2 4.37Å; L276-H301 PolarHBondContact O-N 3.25Å; L276-L304 HydrophobicContact CD1-CD1 3.85Å
277	P	96.8	Very high	98.2	Very high	20 Å²	20	38.9 Å²	38.9	13%	0.13	20%	0.202	C	C	.	.			trans	-71.8	-177.8	169.1	32.4	-34.2	0	0	0	110.6	F255 D256 L279	F255-P277 HydrophobicContact CB-CG 4.02Å; D256-P277 WeakPolarHBondContact OD1-CB 3.43Å; P277-L279 HydrophobicContact CG-CD2 4.04Å; P277-L279 HydrophobicContact CG-CG 4.17Å; P277-L279 PolarHBondContact O-N 3.08Å; P277-L279 VanDerWaalsContact O-N 3.09Å
278	T	95.8	Very high	98.2	Very high	62 Å²	62	41.1 Å²	41.1	38%	0.38	21%	0.213	S	C	.	.			trans	-65.4	109.5	169.2	-58.3	0	0	0	0	109.5	P280 H301 S302	T278-P280 WeakPolarHBondContact O-CD 2.85Å; T278-H301 PolarHBondContact OG1-CD2 3.4Å; T278-S302 WeakPolarHBondContact CB-OG 3.49Å; T278-S302 WeakPolarHBondContact CG2-OG 3.37Å; T278-S302 PolarHBondContact OG1-OG 3.37Å
279	L	97.5	Very high	98.2	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.016	22%	0.224	C	C	.	.			trans	-113.4	88.4	177.2	-63.2	172.4	0	0	0	109.3	L258 L261 L276 P277 N281 L282 L304	L258-L279 WeakPolarHBondContact O-CD2 3Å; L261-L279 HydrophobicContact CB-CD2 4.5Å; L261-L279 HydrophobicContact CD2-CD1 4.43Å; L276-L279 HydrophobicContact CD2-CD1 4.18Å; P277-L279 HydrophobicContact CG-CD2 4.04Å; P277-L279 HydrophobicContact CG-CG 4.17Å; P277-L279 PolarHBondContact O-N 3.08Å; P277-L279 VanDerWaalsContact O-N 3.09Å; L279-N281 PolarHBondContact O-N 3.23Å; L279-L282 HydrophobicContact CB-CB 3.86Å; L279-L282 HydrophobicContact CD1-CD2 4.04Å; L279-L282 PolarHBondContact O-N 3.17Å; L279-L304 HydrophobicContact CB-CD2 4.02Å
280	P	96.9	Very high	98.2	Very high	67 Å²	67	43.4 Å²	43.4	44%	0.435	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-21.5	-168.6	26.9	-34.9	0	0	0	113.7	T278 S306	T278-P280 WeakPolarHBondContact O-CD 2.85Å; P280-S306 VanDerWaalsContact O-CB 3.3Å; P280-S306 WeakPolarHBondContact O-CB 3.47Å; P280-S306 PolarHBondContact O-OG 3.43Å
281	N	98.3	Very high	98.2	Very high	65 Å²	65	39 Å²	39	35%	0.348	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-2.4	-176.6	-61.5	-56.5	0	0	0	113.5	L259 L261 E262 L279 M283	L259-N281 PolarHBondContact O-ND2 3.31Å; L261-N281 CarbonylContact O-C 3.54Å; E262-N281 WeakPolarHBondContact CA-O 3.5Å; E262-N281 HydrophobicContact CG-CB 4.4Å; L279-N281 PolarHBondContact O-N 3.23Å; N281-M283 WeakPolarHBondContact O-CG 3.44Å; N281-M283 PolarHBondContact O-N 2.8Å; N281-M283 VanDerWaalsContact O-N 3.11Å
282	L	98.8	Very high	98.2	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.212	C	C	.	.			trans	-67	115.6	-173	-169.1	74.4	0	0	0	110.4	L261 L264 L279 L285 L304 S306 V307	L261-L282 HydrophobicContact CD2-CD1 4.19Å; L261-L282 HydrophobicContact CG-CD1 4.17Å; L261-L282 WeakPolarHBondContact O-CA 3.39Å; L261-L282 PolarHBondContact O-N 3.13Å; L264-L282 HydrophobicContact CB-CD1 3.87Å; L279-L282 HydrophobicContact CB-CB 3.86Å; L279-L282 HydrophobicContact CD1-CD2 4.04Å; L279-L282 PolarHBondContact O-N 3.17Å; L282-L285 HydrophobicContact CD2-CB 4.26Å; L282-L304 HydrophobicContact CD2-CD1 3.99Å; L282-S306 CarbonylContact O-C 3.54Å; L282-S306 VanDerWaalsContact O-CB 3.3Å; L282-S306 WeakPolarHBondContact O-CB 3.48Å; L282-V307 HydrophobicContact CB-CG2 4.24Å; L282-V307 HydrophobicContact CD2-CG2 3.98Å; L282-V307 HydrophobicContact CG-CG2 4.12Å; L282-V307 VanDerWaalsContact O-CA 3.22Å; L282-V307 WeakPolarHBondContact O-CA 3.29Å; L282-V307 VanDerWaalsContact O-CG2 3.25Å; L282-V307 WeakPolarHBondContact O-CG2 3.43Å; L282-V307 PolarHBondContact O-N 3.33Å
283	M	98.8	Very high	98.2	Very high	85 Å²	85	34.4 Å²	34.4	42%	0.419	20%	0.197	S	C	.	.			trans	-102	-33.4	-178.8	-60.1	-163.7	-174	0	0	112.9	E262 N281 S306 Q308 S309	E262-M283 PolarHBondContact O-N 3.12Å; N281-M283 WeakPolarHBondContact O-CG 3.44Å; N281-M283 PolarHBondContact O-N 2.8Å; N281-M283 VanDerWaalsContact O-N 3.11Å; M283-S306 WeakPolarHBondContact CA-O 3.16Å; M283-Q308 PolarHBondContact O-N 3.41Å; M283-S309 PolarHBondContact O-N 2.89Å
284	A	98.9	Very high	98.2	Very high	12 Å²	12	37.3 Å²	37.3	10%	0.099	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	128.9	-179.2	0	0	0	0	0	111.7	E262 T263 L264 F286 S309	E262-A284 PolarHBondContact O-N 2.83Å; E262-A284 VanDerWaalsContact O-N 3.1Å; T263-A284 WeakPolarHBondContact CA-O 3.39Å; T263-A284 HydrophobicContact CG2-CB 4.11Å; L264-A284 PolarHBondContact N-O 3.16Å; A284-F286 HydrophobicContact CB-CD2 4.49Å; A284-F286 HydrophobicContact CB-CE2 3.71Å; A284-F286 HydrophobicContact CB-CZ 4.18Å; A284-S309 WeakPolarHBondContact CA-O 3.45Å
285	L	98.9	Very high	98.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	115.8	176.6	179.4	58.5	0	0	0	109.6	L264 L276 L282 L287 S309 L310 Y311 F328	L264-L285 HydrophobicContact CB-CD1 4.07Å; L264-L285 HydrophobicContact CD2-CD1 3.96Å; L264-L285 HydrophobicContact CG-CD1 4.09Å; L276-L285 HydrophobicContact CD1-CD1 4.34Å; L276-L285 HydrophobicContact CD1-CD2 3.74Å; L282-L285 HydrophobicContact CD2-CB 4.26Å; L285-L287 HydrophobicContact CD1-CD1 4.25Å; L285-L287 HydrophobicContact CD1-CG 4.3Å; L285-L287 HydrophobicContact CD2-CD1 3.74Å; L285-L287 HydrophobicContact CG-CD1 3.83Å; L285-L287 HydrophobicContact CG-CG 4.21Å; L285-S309 PolarHBondContact N-O 2.68Å; L285-L310 HydrophobicContact CB-CD1 4.08Å; L285-L310 HydrophobicContact CD2-CD1 3.92Å; L285-L310 HydrophobicContact CG-CD1 4.07Å; L285-Y311 PolarHBondContact O-N 3.18Å; L285-F328 HydrophobicContact CD2-CE1 4.14Å
286	F	98.9	Very high	98.1	Very high	53 Å²	53	37.4 Å²	37.4	23%	0.232	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	112.2	178.1	-54.9	-97.7	0	0	0	110	L264 D265 V266 G267 A284 Y311	L264-F286 PolarHBondContact O-N 3.38Å; D265-F286 HydrophobicContact CB-CB 4.13Å; D265-F286 HydrophobicContact CB-CD2 4.07Å; D265-F286 HydrophobicContact CB-CG 4.38Å; D265-F286 WeakPolarHBondContact OD1-CB 3.37Å; V266-F286 CarbonylContact C-O 3.39Å; V266-F286 VanDerWaalsContact CG2-O 3.31Å; V266-F286 WeakPolarHBondContact CG2-O 3.45Å; V266-F286 PolarHBondContact N-O 2.9Å; G267-F286 PolarHBondContact N-O 2.95Å; A284-F286 HydrophobicContact CB-CD2 4.49Å; A284-F286 HydrophobicContact CB-CE2 3.71Å; A284-F286 HydrophobicContact CB-CZ 4.18Å; F286-Y311 AromaticContact CD1-CD2 3.29Å; F286-Y311 HydrophobicContact CD1-CD2 3.29Å; F286-Y311 AromaticContact CD1-CE2 3.75Å; F286-Y311 HydrophobicContact CD1-CE2 3.75Å; F286-Y311 AromaticContact CD1-CG 3.85Å; F286-Y311 HydrophobicContact CD1-CG 3.85Å; F286-Y311 AromaticContact CE1-CD2 3.36Å; F286-Y311 HydrophobicContact CE1-CD2 3.36Å; F286-Y311 AromaticContact CE1-CE2 3.25Å; F286-Y311 HydrophobicContact CE1-CE2 3.25Å; F286-Y311 HydrophobicContact CE1-CG 4.2Å; F286-Y311 HydrophobicContact CG-CD2 4.11Å; F286-Y311 HydrophobicContact CZ-CD2 4.22Å; F286-Y311 AromaticContact CZ-CE2 3.93Å; F286-Y311 HydrophobicContact CZ-CE2 3.93Å
287	L	98.8	Very high	98.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.201	C	C	.	.			trans	-122.8	11.8	178.6	-83.2	161.4	0	0	0	111.7	V266 L271 L274 L285 N290 L292 I298 Y311 L312 N315	V266-L287 HydrophobicContact CG2-CD2 3.48Å; V266-L287 VanDerWaalsContact CG2-CD2 3.48Å; V266-L287 HydrophobicContact CG2-CG 4.01Å; L271-L287 HydrophobicContact CD1-CD2 4.44Å; L274-L287 HydrophobicContact CD2-CD1 4.28Å; L274-L287 HydrophobicContact CD2-CD2 3.76Å; L274-L287 HydrophobicContact CD2-CG 4.41Å; L285-L287 HydrophobicContact CD1-CD1 4.25Å; L285-L287 HydrophobicContact CD1-CG 4.3Å; L285-L287 HydrophobicContact CD2-CD1 3.74Å; L285-L287 HydrophobicContact CG-CD1 3.83Å; L285-L287 HydrophobicContact CG-CG 4.21Å; L287-N290 PolarHBondContact O-ND2 2.98Å; L287-N290 VanDerWaalsContact O-ND2 3.1Å; L287-L292 HydrophobicContact CB-CD1 4.34Å; L287-L292 HydrophobicContact CD2-CD1 4.33Å; L287-I298 HydrophobicContact CD1-CD1 3.53Å; L287-I298 HydrophobicContact CD1-CG1 3.93Å; L287-Y311 CarbonylContact C-O 3.53Å; L287-Y311 WeakPolarHBondContact CA-O 3.22Å; L287-Y311 WeakPolarHBondContact CB-O 3.22Å; L287-Y311 PolarHBondContact N-O 3.09Å; L287-L312 HydrophobicContact CB-CD2 3.82Å; L287-L312 HydrophobicContact CD1-CD2 4.01Å; L287-N315 PolarHBondContact O-ND2 3.46Å
288	H	98.8	Very high	98.1	Very high	46 Å²	46	37.8 Å²	37.8	21%	0.213	20%	0.197	C	C	.	.			trans	-59	151.8	-179	65	-87.3	0	0	0	111.4	D265 G267 S268 N290 Y311 D313	D265-H288 IonicContact OD1-CE1 2.84Å; G267-H288 CarbonylContact C-O 3.53Å; G267-H288 WeakPolarHBondContact CA-O 3.48Å; S268-H288 PolarHBondContact N-O 2.98Å; H288-N290 PolarHBondContact O-N 3.19Å; H288-N290 PolarHBondContact O-ND2 3.42Å; H288-Y311 PolarHBondContact N-O 2.84Å; H288-Y311 VanDerWaalsContact N-O 3.15Å; H288-D313 CarbonylContact C-O 3.28Å; H288-D313 WeakPolarHBondContact CA-O 3.18Å; H288-D313 HydrophobicContact CB-CB 4.13Å
289	N	98.8	Very high	98.2	Very high	69 Å²	69	37.7 Å²	37.7	37%	0.369	20%	0.199	S	C	.	.	S	Bend	trans	53.7	56.6	176.6	-169.5	23	0	0	0	112.5	S268 N269 D313 Q314	S268-N289 CarbonylContact C-O 3.48Å; S268-N289 WeakPolarHBondContact CA-O 3.49Å; S268-N289 PolarHBondContact N-O 2.92Å; S268-N289 PolarHBondContact OG-ND2 3.17Å; S268-N289 VanDerWaalsContact OG-ND2 3.14Å; N269-N289 PolarHBondContact N-O 3.23Å; N269-N289 VanDerWaalsContact N-O 3.14Å; N289-D313 PolarHBondContact N-O 3.17Å; N289-Q314 VanDerWaalsContact CA-O 3.25Å; N289-Q314 WeakPolarHBondContact CA-O 3.4Å; N289-Q314 HydrophobicContact CB-CB 4.02Å
290	N	98.8	Very high	98.2	Very high	8 Å²	8	39.7 Å²	39.7	4%	0.043	21%	0.21	C	C	.	.	S	Bend	trans	-126	-167	174.1	-88.5	-70.7	0	0	0	109.4	V266 N269 R270 L271 L287 H288 L292 N315	V266-N290 PolarHBondContact O-ND2 3.38Å; N269-N290 WeakPolarHBondContact CA-OD1 3.48Å; N269-N290 WeakPolarHBondContact CB-OD1 3.45Å; N269-N290 PolarHBondContact N-OD1 3.11Å; N269-N290 PolarHBondContact O-OD1 3.23Å; R270-N290 PolarHBondContact N-OD1 3.14Å; L271-N290 HydrophobicContact CB-CB 4.4Å; L271-N290 WeakPolarHBondContact CB-OD1 3.42Å; L271-N290 WeakPolarHBondContact CG-OD1 3.46Å; L271-N290 PolarHBondContact N-OD1 3.19Å; L287-N290 PolarHBondContact O-ND2 2.98Å; L287-N290 VanDerWaalsContact O-ND2 3.1Å; H288-N290 PolarHBondContact O-N 3.19Å; H288-N290 PolarHBondContact O-ND2 3.42Å; N290-L292 HydrophobicContact CB-CG 4.44Å; N290-N315 WeakPolarHBondContact CA-OD1 3.5Å; N290-N315 WeakPolarHBondContact CB-OD1 3.41Å; N290-N315 PolarHBondContact N-OD1 3.29Å; N290-N315 PolarHBondContact O-OD1 3.46Å
291	S	98.4	Very high	98.2	Very high	34 Å²	34	43.3 Å²	43.3	24%	0.238	22%	0.221	C	C	.	.			trans	-112.5	29.2	-178.8	-63.6	0	0	0	0	113	L271 N315 M316	L271-S291 CarbonylContact O-C 3.24Å; L271-S291 VanDerWaalsContact O-C 3.25Å; L271-S291 VanDerWaalsContact O-CA 3.28Å; L271-S291 WeakPolarHBondContact O-CA 3.15Å; L271-S291 WeakPolarHBondContact O-CB 3.26Å; L271-S291 PolarHBondContact O-N 3.31Å; S291-N315 PolarHBondContact N-OD1 3.17Å; S291-M316 WeakPolarHBondContact O-CE 3.28Å
292	L	98.6	Very high	98.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.214	C	C	.	.			trans	-68.6	133.3	178.2	-56.1	177.1	0	0	0	110.2	L271 L287 N290 D297 I298 L312 N315 M316 I317	L271-L292 PolarHBondContact O-N 2.81Å; L287-L292 HydrophobicContact CB-CD1 4.34Å; L287-L292 HydrophobicContact CD2-CD1 4.33Å; N290-L292 HydrophobicContact CB-CG 4.44Å; L292-D297 HydrophobicContact CD2-CB 3.99Å; L292-I298 HydrophobicContact CD1-CD1 4.18Å; L292-I298 HydrophobicContact CD1-CG1 4.11Å; L292-L312 HydrophobicContact CD1-CD2 4.01Å; L292-N315 HydrophobicContact CB-CB 4.18Å; L292-N315 WeakPolarHBondContact CB-OD1 3.39Å; L292-N315 WeakPolarHBondContact CG-OD1 3.48Å; L292-N315 PolarHBondContact N-OD1 2.87Å; L292-M316 CarbonylContact O-C 3.22Å; L292-M316 VanDerWaalsContact O-C 3.3Å; L292-M316 VanDerWaalsContact O-CA 3.31Å; L292-M316 WeakPolarHBondContact O-CA 3.49Å; L292-M316 PolarHBondContact O-N 2.83Å; L292-I317 PolarHBondContact O-N 3.14Å
293	T	98.2	Very high	98.1	Very high	56 Å²	56	44 Å²	44	34%	0.344	23%	0.229	S	C	.	.	S	Bend	trans	-101.7	-19.2	179.4	62.8	0	0	0	0	112.6	D297 M316 I317	T293-D297 WeakPolarHBondContact CA-OD2 3.17Å; T293-D297 PolarHBondContact N-OD2 3.05Å; T293-D297 PolarHBondContact OG1-OD2 2.89Å; T293-M316 HydrophobicContact CG2-CE 4.24Å; T293-I317 WeakPolarHBondContact O-CA 3.38Å
294	R	97.6	Very high	98	Very high	118 Å²	118	40 Å²	40	45%	0.445	21%	0.21	S	C	.	.	S	Bend	trans	-149.8	158.9	-179.8	-62.8	179.4	-64.5	-113.7	-11.4	109.6	E296 D297	R294-E296 VanDerWaalsContact C-N 3.28Å; R294-E296 WeakPolarHBondContact CB-OE2 3.46Å; R294-E296 PolarHBondContact O-N 2.83Å; R294-D297 IonicContact CZ-OD1 3.7Å; R294-D297 PolarHBondContact N-OD2 2.99Å; R294-D297 IonicContact NE-OD1 3.92Å; R294-D297 PolarHBondContact NE-OD1 3.41Å; R294-D297 IonicContact NH2-OD1 2.9Å; R294-D297 PolarHBondContact NH2-OD1 3.35Å; R294-D297 WeakPolarHBondContact O-CB 3.39Å; R294-D297 PolarHBondContact O-N 2.78Å
295	V	97.8	Very high	98	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.024	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-69.3	-31	174.2	178.7	0	0	0	0	110.8	D297 I298 L312 I317 L320 Q324 F325	V295-D297 PolarHBondContact O-N 2.94Å; V295-D297 VanDerWaalsContact O-N 3.16Å; V295-I298 WeakPolarHBondContact O-CB 3.41Å; V295-I298 WeakPolarHBondContact O-CG1 3.11Å; V295-I298 PolarHBondContact O-N 3.12Å; V295-L312 HydrophobicContact CG2-CD1 4.25Å; V295-I317 HydrophobicContact CG2-CD1 4.17Å; V295-L320 HydrophobicContact CG2-CD2 4.02Å; V295-Q324 HydrophobicContact CB-CG 3.67Å; V295-Q324 HydrophobicContact CG1-CG 4.15Å; V295-Q324 HydrophobicContact CG2-CG 4.11Å; V295-F325 HydrophobicContact CG1-CD1 4.18Å; V295-F325 HydrophobicContact CG1-CE1 3.95Å; V295-F325 HydrophobicContact CG2-CE1 3.88Å; V295-F325 HydrophobicContact CG2-CZ 4.01Å
296	E	96.5	Very high	97.9	Very high	83 Å²	83	48.7 Å²	48.7	39%	0.388	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-66.6	-11.3	176.7	-59.2	88.1	160.5	0	0	113.2	R294 I298 N321 Q324	R294-E296 VanDerWaalsContact C-N 3.28Å; R294-E296 WeakPolarHBondContact CB-OE2 3.46Å; R294-E296 PolarHBondContact O-N 2.83Å; E296-I298 PolarHBondContact O-N 3.14Å; E296-N321 PolarHBondContact OE1-ND2 3.45Å; E296-Q324 VanDerWaalsContact CD-NE2 3.28Å; E296-Q324 WeakPolarHBondContact OE1-CG 3.49Å; E296-Q324 PolarHBondContact OE1-NE2 3.46Å; E296-Q324 PolarHBondContact OE2-NE2 2.88Å
297	D	97.9	Very high	97.9	Very high	18 Å²	18	46.2 Å²	46.2	10%	0.096	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-67.4	-9	168.4	-58.6	-24.9	0	0	0	110.9	K272 A273 L274 L292 T293 R294 V295	K272-D297 WeakPolarHBondContact O-CB 3.46Å; A273-D297 CarbonylContact C-O 3.49Å; A273-D297 WeakPolarHBondContact CA-O 3.39Å; A273-D297 HydrophobicContact CB-CB 4.43Å; A273-D297 WeakPolarHBondContact CB-O 3.09Å; L274-D297 PolarHBondContact N-O 2.92Å; L292-D297 HydrophobicContact CD2-CB 3.99Å; T293-D297 WeakPolarHBondContact CA-OD2 3.17Å; T293-D297 PolarHBondContact N-OD2 3.05Å; T293-D297 PolarHBondContact OG1-OD2 2.89Å; R294-D297 IonicContact CZ-OD1 3.7Å; R294-D297 PolarHBondContact N-OD2 2.99Å; R294-D297 IonicContact NE-OD1 3.92Å; R294-D297 PolarHBondContact NE-OD1 3.41Å; R294-D297 IonicContact NH2-OD1 2.9Å; R294-D297 PolarHBondContact NH2-OD1 3.35Å; R294-D297 WeakPolarHBondContact O-CB 3.39Å; R294-D297 PolarHBondContact O-N 2.78Å; V295-D297 PolarHBondContact O-N 2.94Å; V295-D297 VanDerWaalsContact O-N 3.16Å
298	I	98.2	Very high	97.9	Very high	10 Å²	10	49.4 Å²	49.4	5%	0.051	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	93.3	167.4	-49.6	160.7	0	0	0	108.9	L274 L276 L287 L292 V295 E296 L300 L312 F328	L274-I298 CarbonylContact O-C 3.07Å; L274-I298 WeakPolarHBondContact O-CA 3.22Å; L276-I298 HydrophobicContact CD1-CG2 4.49Å; L287-I298 HydrophobicContact CD1-CD1 3.53Å; L287-I298 HydrophobicContact CD1-CG1 3.93Å; L292-I298 HydrophobicContact CD1-CD1 4.18Å; L292-I298 HydrophobicContact CD1-CG1 4.11Å; V295-I298 WeakPolarHBondContact O-CB 3.41Å; V295-I298 WeakPolarHBondContact O-CG1 3.11Å; V295-I298 PolarHBondContact O-N 3.12Å; E296-I298 PolarHBondContact O-N 3.14Å; I298-L300 HydrophobicContact CG2-CD2 3.84Å; I298-L300 PolarHBondContact O-N 2.88Å; I298-L312 HydrophobicContact CD1-CD2 3.61Å; I298-F328 HydrophobicContact CG2-CZ 4.23Å
299	S	97.6	Very high	97.9	Very high	61 Å²	61	48.7 Å²	48.7	43%	0.427	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	117.8	177.9	-66.1	0	0	0	0	110.5	L274 Q275 L276	L274-S299 PolarHBondContact O-N 3.02Å; Q275-S299 CarbonylContact C-O 3.6Å; Q275-S299 VanDerWaalsContact CA-O 3.27Å; Q275-S299 WeakPolarHBondContact CA-O 3.44Å; L276-S299 PolarHBondContact N-O 3.4Å
300	L	97.7	Very high	97.9	Very high	45 Å²	45	45.4 Å²	45.4	24%	0.236	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	134.1	178.2	-54.6	179.6	0	0	0	110.4	L276 I298 S302 L304 F328	L276-L300 HydrophobicContact CB-CD2 3.9Å; L276-L300 HydrophobicContact CD1-CD2 3.98Å; L276-L300 HydrophobicContact CG-CD2 4.37Å; I298-L300 HydrophobicContact CG2-CD2 3.84Å; I298-L300 PolarHBondContact O-N 2.88Å; L300-S302 VanDerWaalsContact C-N 3.31Å; L300-S302 WeakPolarHBondContact CB-O 3.28Å; L300-L304 HydrophobicContact CD1-CG 4.31Å; L300-L304 HydrophobicContact CD2-CD1 3.78Å; L300-L304 HydrophobicContact CD2-CG 4.17Å; L300-F328 HydrophobicContact CD1-CE1 4.13Å; L300-F328 HydrophobicContact CD1-CE2 4.17Å; L300-F328 HydrophobicContact CD1-CZ 3.86Å; L300-F328 HydrophobicContact CD2-CZ 4.29Å; L300-F328 HydrophobicContact CG-CZ 4.5Å
301	H	96.2	Very high	98	Very high	143 Å²	143	47.9 Å²	47.9	66%	0.662	24%	0.243	S	C	*	.	S	Bend	trans	-67	-35.7	170.7	-173.2	84.1	0	0	0	112	L276 T278	L276-H301 PolarHBondContact O-N 3.25Å; T278-H301 PolarHBondContact OG1-CD2 3.4Å
302	S	96.5	Very high	98	Very high	31 Å²	31	46.3 Å²	46.3	22%	0.217	23%	0.232	C	C	.	.	S	Bend	trans	-148.8	158.3	173.5	63.8	0	0	0	0	109.9	T278 L300 L304	T278-S302 WeakPolarHBondContact CB-OG 3.49Å; T278-S302 WeakPolarHBondContact CG2-OG 3.37Å; T278-S302 PolarHBondContact OG1-OG 3.37Å; L300-S302 VanDerWaalsContact C-N 3.31Å; L300-S302 WeakPolarHBondContact CB-O 3.28Å; S302-L304 PolarHBondContact O-N 3.3Å
303	P	97.7	Very high	98	Very high	48 Å²	48	47.1 Å²	47.1	31%	0.312	24%	0.237	S	C	.	.			trans	-56.9	135.2	175.4	-23.4	33.5	0	0	0	111.7	Y305 G327	P303-Y305 HydrophobicContact CB-CD2 4.34Å; P303-Y305 HydrophobicContact CB-CE1 4.39Å; P303-Y305 HydrophobicContact CB-CE2 3.82Å; P303-Y305 HydrophobicContact CG-CE2 4.29Å; P303-Y305 WeakPolarHBondContact O-CD2 3.42Å; P303-Y305 WeakPolarHBondContact O-CE2 3.49Å; P303-Y305 PolarHBondContact O-N 3.34Å; P303-Y305 VanDerWaalsContact O-N 3.15Å; P303-G327 CarbonylContact C-O 3.52Å; P303-G327 WeakPolarHBondContact CA-O 3.38Å
304	L	98	Very high	98	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	24%	0.243	C	C	.	.			trans	-87.3	84.2	-179.7	-62.4	179.8	0	0	0	109.9	L276 L279 L282 L300 S302 S306 V307 G327 F328	L276-L304 HydrophobicContact CD1-CD1 3.85Å; L279-L304 HydrophobicContact CB-CD2 4.02Å; L282-L304 HydrophobicContact CD2-CD1 3.99Å; L300-L304 HydrophobicContact CD1-CG 4.31Å; L300-L304 HydrophobicContact CD2-CD1 3.78Å; L300-L304 HydrophobicContact CD2-CG 4.17Å; S302-L304 PolarHBondContact O-N 3.3Å; L304-S306 PolarHBondContact O-N 3.42Å; L304-V307 HydrophobicContact CB-CB 4.39Å; L304-V307 HydrophobicContact CB-CG2 3.62Å; L304-V307 HydrophobicContact CD1-CG2 4.11Å; L304-V307 PolarHBondContact O-N 3.04Å; L304-G327 PolarHBondContact N-O 3.15Å; L304-F328 HydrophobicContact CB-CD1 4.43Å; L304-F328 HydrophobicContact CD1-CE1 4.03Å
305	Y	97.6	Very high	98.1	Very high	153 Å²	153	44 Å²	44	60%	0.6	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-15.8	-172.9	-70.4	-78.1	0	0	0	115.6	P303 P329 K330	P303-Y305 HydrophobicContact CB-CD2 4.34Å; P303-Y305 HydrophobicContact CB-CE1 4.39Å; P303-Y305 HydrophobicContact CB-CE2 3.82Å; P303-Y305 HydrophobicContact CG-CE2 4.29Å; P303-Y305 WeakPolarHBondContact O-CD2 3.42Å; P303-Y305 WeakPolarHBondContact O-CE2 3.49Å; P303-Y305 PolarHBondContact O-N 3.34Å; P303-Y305 VanDerWaalsContact O-N 3.15Å; Y305-P329 HydrophobicContact CD1-CG 3.6Å; Y305-P329 HydrophobicContact CE1-CG 3.78Å; Y305-P329 HydrophobicContact CG-CG 4.49Å; Y305-K330 VanDerWaalsContact O-CB 3.26Å; Y305-K330 WeakPolarHBondContact O-CB 3.32Å; Y305-K330 WeakPolarHBondContact O-CG 3.37Å
306	S	98.3	Very high	98.1	Very high	41 Å²	41	47.5 Å²	47.5	29%	0.287	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-11.2	-179	-66.2	0	0	0	0	113.5	P280 L282 M283 L304 Q308	P280-S306 VanDerWaalsContact O-CB 3.3Å; P280-S306 WeakPolarHBondContact O-CB 3.47Å; P280-S306 PolarHBondContact O-OG 3.43Å; L282-S306 CarbonylContact O-C 3.54Å; L282-S306 VanDerWaalsContact O-CB 3.3Å; L282-S306 WeakPolarHBondContact O-CB 3.48Å; M283-S306 WeakPolarHBondContact CA-O 3.16Å; L304-S306 PolarHBondContact O-N 3.42Å; S306-Q308 PolarHBondContact O-N 3.33Å
307	V	98.7	Very high	98.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.222	C	C	.	.			trans	-68.3	118.1	-175	172.4	0	0	0	0	109.4	L282 L304 L310 F328 K330 V331	L282-V307 HydrophobicContact CB-CG2 4.24Å; L282-V307 HydrophobicContact CD2-CG2 3.98Å; L282-V307 HydrophobicContact CG-CG2 4.12Å; L282-V307 VanDerWaalsContact O-CA 3.22Å; L282-V307 WeakPolarHBondContact O-CA 3.29Å; L282-V307 VanDerWaalsContact O-CG2 3.25Å; L282-V307 WeakPolarHBondContact O-CG2 3.43Å; L282-V307 PolarHBondContact O-N 3.33Å; L304-V307 HydrophobicContact CB-CB 4.39Å; L304-V307 HydrophobicContact CB-CG2 3.62Å; L304-V307 HydrophobicContact CD1-CG2 4.11Å; L304-V307 PolarHBondContact O-N 3.04Å; V307-L310 HydrophobicContact CG1-CB 4.42Å; V307-F328 HydrophobicContact CB-CD1 4.24Å; V307-F328 HydrophobicContact CG1-CD1 4.09Å; V307-F328 HydrophobicContact CG2-CD1 4.43Å; V307-K330 CarbonylContact O-C 3.3Å; V307-V331 WeakPolarHBondContact O-CA 3.43Å; V307-V331 PolarHBondContact O-N 2.99Å
308	Q	98.8	Very high	98.2	Very high	67 Å²	67	45.6 Å²	45.6	31%	0.313	24%	0.235	S	C	.	.			trans	-106.3	-27.6	177.6	-66.4	-179.2	55.4	0	0	112	M283 S306 K332 L333	M283-Q308 PolarHBondContact O-N 3.41Å; S306-Q308 PolarHBondContact O-N 3.33Å; Q308-K332 HydrophobicContact CB-CD 4.42Å; Q308-K332 HydrophobicContact CG-CD 4.32Å; Q308-K332 WeakPolarHBondContact O-CA 3.45Å; Q308-K332 PolarHBondContact O-N 3.1Å; Q308-L333 PolarHBondContact O-N 3.31Å
309	S	98.9	Very high	98.2	Very high	32 Å²	32	49.5 Å²	49.5	22%	0.224	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121.1	179.3	-55.5	0	0	0	0	110.8	M283 A284 L285 L333	M283-S309 PolarHBondContact O-N 2.89Å; A284-S309 WeakPolarHBondContact CA-O 3.45Å; L285-S309 PolarHBondContact N-O 2.68Å; S309-L333 WeakPolarHBondContact CA-O 3.3Å
310	L	98.9	Very high	98.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	114.2	177.9	179.6	58.2	0	0	0	109.7	L285 V307 L312 F325 F328 V331 L333 L334 S335	L285-L310 HydrophobicContact CB-CD1 4.08Å; L285-L310 HydrophobicContact CD2-CD1 3.92Å; L285-L310 HydrophobicContact CG-CD1 4.07Å; V307-L310 HydrophobicContact CG1-CB 4.42Å; L310-L312 HydrophobicContact CD1-CD2 4.3Å; L310-L312 HydrophobicContact CD1-CG 4.21Å; L310-L312 HydrophobicContact CD2-CD1 4.04Å; L310-L312 HydrophobicContact CD2-CG 4.48Å; L310-L312 HydrophobicContact CG-CD1 4.14Å; L310-L312 HydrophobicContact CG-CG 4.05Å; L310-F325 HydrophobicContact CD2-CD1 4.49Å; L310-F328 HydrophobicContact CD1-CE1 4.42Å; L310-F328 HydrophobicContact CD2-CB 4.48Å; L310-F328 HydrophobicContact CD2-CD1 4.09Å; L310-F328 HydrophobicContact CD2-CD2 3.74Å; L310-F328 HydrophobicContact CD2-CE1 4.2Å; L310-F328 HydrophobicContact CD2-CE2 3.88Å; L310-F328 HydrophobicContact CD2-CG 3.85Å; L310-F328 HydrophobicContact CD2-CZ 4.1Å; L310-V331 HydrophobicContact CB-CG2 3.91Å; L310-L333 PolarHBondContact N-O 3.28Å; L310-L334 HydrophobicContact CB-CD1 4.17Å; L310-L334 HydrophobicContact CD2-CD1 3.95Å; L310-L334 HydrophobicContact CG-CD1 4.08Å; L310-S335 PolarHBondContact O-N 2.83Å
311	Y	98.9	Very high	98.1	Very high	60 Å²	60	47 Å²	47	24%	0.235	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	111.1	179.2	-64	-91.9	0	0	0	110.1	L285 F286 L287 H288 L333	L285-Y311 PolarHBondContact O-N 3.18Å; F286-Y311 AromaticContact CD1-CD2 3.29Å; F286-Y311 HydrophobicContact CD1-CD2 3.29Å; F286-Y311 AromaticContact CD1-CE2 3.75Å; F286-Y311 HydrophobicContact CD1-CE2 3.75Å; F286-Y311 AromaticContact CD1-CG 3.85Å; F286-Y311 HydrophobicContact CD1-CG 3.85Å; F286-Y311 AromaticContact CE1-CD2 3.36Å; F286-Y311 HydrophobicContact CE1-CD2 3.36Å; F286-Y311 AromaticContact CE1-CE2 3.25Å; F286-Y311 HydrophobicContact CE1-CE2 3.25Å; F286-Y311 HydrophobicContact CE1-CG 4.2Å; F286-Y311 HydrophobicContact CG-CD2 4.11Å; F286-Y311 HydrophobicContact CZ-CD2 4.22Å; F286-Y311 AromaticContact CZ-CE2 3.93Å; F286-Y311 HydrophobicContact CZ-CE2 3.93Å; L287-Y311 CarbonylContact C-O 3.53Å; L287-Y311 WeakPolarHBondContact CA-O 3.22Å; L287-Y311 WeakPolarHBondContact CB-O 3.22Å; L287-Y311 PolarHBondContact N-O 3.09Å; H288-Y311 PolarHBondContact N-O 2.84Å; H288-Y311 VanDerWaalsContact N-O 3.15Å; Y311-L333 HydrophobicContact CD1-CD2 4.23Å; Y311-L333 HydrophobicContact CE1-CD2 3.63Å; Y311-L333 HydrophobicContact CE2-CD2 4.2Å
312	L	98.8	Very high	98.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.223	C	C	.	.			trans	-116.6	15.6	178.2	-64.8	171.5	0	0	0	111.7	L287 L292 V295 I298 L310 N315 I317 F325 L334 S335 L336 N339	L287-L312 HydrophobicContact CB-CD2 3.82Å; L287-L312 HydrophobicContact CD1-CD2 4.01Å; L292-L312 HydrophobicContact CD1-CD2 4.01Å; V295-L312 HydrophobicContact CG2-CD1 4.25Å; I298-L312 HydrophobicContact CD1-CD2 3.61Å; L310-L312 HydrophobicContact CD1-CD2 4.3Å; L310-L312 HydrophobicContact CD1-CG 4.21Å; L310-L312 HydrophobicContact CD2-CD1 4.04Å; L310-L312 HydrophobicContact CD2-CG 4.48Å; L310-L312 HydrophobicContact CG-CD1 4.14Å; L310-L312 HydrophobicContact CG-CG 4.05Å; L312-N315 PolarHBondContact O-ND2 3.35Å; L312-I317 HydrophobicContact CB-CD1 4.33Å; L312-I317 HydrophobicContact CD1-CD1 4.49Å; L312-F325 HydrophobicContact CD1-CE1 4.19Å; L312-L334 HydrophobicContact CD1-CD1 4.46Å; L312-S335 CarbonylContact C-O 3.47Å; L312-S335 WeakPolarHBondContact CA-O 3.41Å; L312-S335 WeakPolarHBondContact CB-O 3.37Å; L312-S335 PolarHBondContact N-O 2.92Å; L312-L336 HydrophobicContact CB-CD2 3.81Å; L312-L336 HydrophobicContact CB-CG 4.37Å; L312-L336 HydrophobicContact CD1-CD2 3.88Å; L312-N339 PolarHBondContact O-ND2 3.44Å
313	D	98.7	Very high	98	Very high	18 Å²	18	45.7 Å²	45.7	10%	0.096	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	155.5	-177.5	-49.1	-81.7	0	0	0	112.4	H288 N289 N315 S335 L336 A337	H288-D313 CarbonylContact C-O 3.28Å; H288-D313 WeakPolarHBondContact CA-O 3.18Å; H288-D313 HydrophobicContact CB-CB 4.13Å; N289-D313 PolarHBondContact N-O 3.17Å; D313-N315 PolarHBondContact O-N 2.93Å; D313-N315 PolarHBondContact O-ND2 3.23Å; D313-S335 VanDerWaalsContact CG-OG 3.23Å; D313-S335 WeakPolarHBondContact OD1-CB 3.44Å; D313-S335 PolarHBondContact OD1-OG 2.76Å; D313-S335 VanDerWaalsContact OD2-CB 3.26Å; D313-S335 WeakPolarHBondContact OD2-CB 3.24Å; D313-S335 PolarHBondContact OD2-OG 3.13Å; D313-L336 PolarHBondContact OD1-N 3.04Å; D313-A337 CarbonylContact C-O 3.25Å; D313-A337 WeakPolarHBondContact CA-O 3.48Å; D313-A337 HydrophobicContact CB-CB 4.48Å; D313-A337 WeakPolarHBondContact CB-O 3.41Å; D313-A337 WeakPolarHBondContact OD1-CA 3.35Å; D313-A337 WeakPolarHBondContact OD1-CB 3.44Å; D313-A337 PolarHBondContact OD1-N 3.47Å
314	Q	98.8	Very high	97.9	Very high	101 Å²	101	44.2 Å²	44.2	47%	0.472	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	36.9	173.7	-57.6	174.7	18.2	0	0	113	N289 A337 S338	N289-Q314 VanDerWaalsContact CA-O 3.25Å; N289-Q314 WeakPolarHBondContact CA-O 3.4Å; N289-Q314 HydrophobicContact CB-CB 4.02Å; Q314-A337 PolarHBondContact N-O 3.29Å; Q314-S338 VanDerWaalsContact CA-O 3.27Å; Q314-S338 WeakPolarHBondContact CA-O 3.21Å; Q314-S338 PolarHBondContact N-O 3.1Å
315	N	98.8	Very high	97.9	Very high	7 Å²	7	44.1 Å²	44.1	4%	0.037	22%	0.215	C	C	.	.	S	Bend	trans	-104.6	-168.6	169.1	-81.6	-80.2	0	0	0	109.8	L287 N290 S291 L292 L312 D313 I317 N339	L287-N315 PolarHBondContact O-ND2 3.46Å; N290-N315 WeakPolarHBondContact CA-OD1 3.5Å; N290-N315 WeakPolarHBondContact CB-OD1 3.41Å; N290-N315 PolarHBondContact N-OD1 3.29Å; N290-N315 PolarHBondContact O-OD1 3.46Å; S291-N315 PolarHBondContact N-OD1 3.17Å; L292-N315 HydrophobicContact CB-CB 4.18Å; L292-N315 WeakPolarHBondContact CB-OD1 3.39Å; L292-N315 WeakPolarHBondContact CG-OD1 3.48Å; L292-N315 PolarHBondContact N-OD1 2.87Å; L312-N315 PolarHBondContact O-ND2 3.35Å; D313-N315 PolarHBondContact O-N 2.93Å; D313-N315 PolarHBondContact O-ND2 3.23Å; N315-I317 HydrophobicContact CB-CD1 4.43Å; N315-I317 HydrophobicContact CB-CG1 4.18Å; N315-N339 VanDerWaalsContact CA-OD1 3.32Å; N315-N339 WeakPolarHBondContact CA-OD1 3.38Å; N315-N339 WeakPolarHBondContact CB-OD1 3.46Å; N315-N339 PolarHBondContact N-OD1 2.74Å; N315-N339 PolarHBondContact O-OD1 3.13Å
316	M	98.5	Very high	97.8	Very high	77 Å²	77	39.1 Å²	39.1	38%	0.379	21%	0.205	S	C	.	.			trans	-112.7	30.7	-179.4	-59.4	-176.3	-64.5	0	0	111.8	S291 L292 T293 T318 N339	S291-M316 WeakPolarHBondContact O-CE 3.28Å; L292-M316 CarbonylContact O-C 3.22Å; L292-M316 VanDerWaalsContact O-C 3.3Å; L292-M316 VanDerWaalsContact O-CA 3.31Å; L292-M316 WeakPolarHBondContact O-CA 3.49Å; L292-M316 PolarHBondContact O-N 2.83Å; T293-M316 HydrophobicContact CG2-CE 4.24Å; M316-T318 PolarHBondContact O-N 2.83Å; M316-N339 PolarHBondContact N-OD1 3.01Å
317	I	98.7	Very high	97.8	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.2	C	C	.	.			trans	-71.3	126	-176.8	-55.1	172.5	0	0	0	109.6	L292 T293 V295 L312 N315 L320 L336 N339 Q340 L341	L292-I317 PolarHBondContact O-N 3.14Å; T293-I317 WeakPolarHBondContact O-CA 3.38Å; V295-I317 HydrophobicContact CG2-CD1 4.17Å; L312-I317 HydrophobicContact CB-CD1 4.33Å; L312-I317 HydrophobicContact CD1-CD1 4.49Å; N315-I317 HydrophobicContact CB-CD1 4.43Å; N315-I317 HydrophobicContact CB-CG1 4.18Å; I317-L320 HydrophobicContact CG2-CD2 3.97Å; I317-L336 HydrophobicContact CD1-CD2 3.86Å; I317-N339 HydrophobicContact CB-CB 4.36Å; I317-N339 WeakPolarHBondContact CB-OD1 3.33Å; I317-N339 WeakPolarHBondContact CG1-OD1 3.39Å; I317-N339 PolarHBondContact N-OD1 3.13Å; I317-Q340 CarbonylContact O-C 3.5Å; I317-Q340 VanDerWaalsContact O-CA 3.3Å; I317-Q340 WeakPolarHBondContact O-CA 3.49Å; I317-Q340 PolarHBondContact O-N 3.37Å; I317-L341 HydrophobicContact CB-CD2 4.25Å; I317-L341 HydrophobicContact CG2-CD2 3.64Å; I317-L341 PolarHBondContact O-N 3.47Å; I317-L341 VanDerWaalsContact O-N 3.14Å
318	T	98.3	Very high	97.8	Very high	62 Å²	62	38.2 Å²	38.2	38%	0.38	20%	0.201	S	C	.	.			trans	-103.1	-27	-172.7	53	0	0	0	0	114.6	M316 Q340 L341 S342	M316-T318 PolarHBondContact O-N 2.83Å; T318-Q340 WeakPolarHBondContact CA-O 3.22Å; T318-Q340 HydrophobicContact CG2-CB 4.17Å; T318-L341 WeakPolarHBondContact O-CA 3.42Å; T318-S342 PolarHBondContact O-N 2.93Å; T318-S342 PolarHBondContact O-OG 3.03Å
319	K	97.7	Very high	97.7	Very high	91 Å²	91	36.3 Å²	36.3	40%	0.396	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	154.4	179.5	62.5	177.1	-175.3	169	0	111.2	N321 Q343	K319-N321 WeakPolarHBondContact CE-OD1 3.47Å; K319-Q343 WeakPolarHBondContact CA-O 3.22Å; K319-Q343 HydrophobicContact CB-CB 4.28Å
320	L	98.2	Very high	97.7	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	126.6	169.2	-52.6	-179.3	0	0	0	111.2	V295 I317 Q324 F325 L336 L341 Q343 L344 H345 T348 F349	V295-L320 HydrophobicContact CG2-CD2 4.02Å; I317-L320 HydrophobicContact CG2-CD2 3.97Å; L320-Q324 VanDerWaalsContact CB-OE1 3.28Å; L320-F325 HydrophobicContact CD1-CE2 4Å; L320-F325 HydrophobicContact CD1-CZ 4.15Å; L320-F325 HydrophobicContact CD2-CZ 4.19Å; L320-L336 HydrophobicContact CD1-CD1 3.94Å; L320-L341 HydrophobicContact CD1-CD1 4.21Å; L320-L341 HydrophobicContact CD2-CD2 3.83Å; L320-L341 HydrophobicContact CG-CD1 4.33Å; L320-L341 HydrophobicContact CG-CD2 3.8Å; L320-Q343 PolarHBondContact N-O 3.01Å; L320-Q343 VanDerWaalsContact N-O 3.08Å; L320-L344 HydrophobicContact CB-CD2 4.07Å; L320-L344 HydrophobicContact CD1-CD2 3.62Å; L320-L344 HydrophobicContact CG-CD2 3.81Å; L320-H345 WeakPolarHBondContact O-CB 3.5Å; L320-H345 PolarHBondContact O-N 2.91Å; L320-T348 HydrophobicContact CB-CG2 3.58Å; L320-T348 HydrophobicContact CD1-CG2 3.83Å; L320-T348 HydrophobicContact CG-CG2 4.31Å; L320-T348 PolarHBondContact O-OG1 3.3Å; L320-F349 HydrophobicContact CD1-CZ 4.4Å
321	N	96.2	Very high	97.7	Very high	50 Å²	50	39.2 Å²	39.2	27%	0.267	20%	0.203	S	C	.	.			trans	-91.5	-179.1	-177.3	-57.2	-44.9	0	0	0	111.4	E296 K319 T348	E296-N321 PolarHBondContact OE1-ND2 3.45Å; K319-N321 WeakPolarHBondContact CE-OD1 3.47Å; N321-T348 WeakPolarHBondContact O-CA 3.09Å; N321-T348 PolarHBondContact O-OG1 3.24Å
322	E	96.2	Very high	97.7	Very high	95 Å²	95	39.6 Å²	39.6	44%	0.444	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	137.1	171.5	177.7	157.7	-140.1	0	0	111.7	Q324 A347 R350	E322-Q324 PolarHBondContact O-N 3.08Å; E322-A347 HydrophobicContact CB-CB 4.4Å; E322-A347 HydrophobicContact CG-CB 3.84Å; E322-A347 WeakPolarHBondContact OE1-CB 3.38Å; E322-R350 IonicContact OE1-CZ 3.84Å; E322-R350 IonicContact OE1-NE 3.83Å; E322-R350 IonicContact OE1-NH2 2.69Å; E322-R350 PolarHBondContact OE1-NH2 3.41Å
323	D	93.9	Very high	97.7	Very high	52 Å²	52	41.6 Å²	41.6	28%	0.278	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	23.8	172.3	-62.8	-32.1	0	0	0	115	F325 A326 A347 R350 T351	D323-F325 PolarHBondContact O-N 3.37Å; D323-A326 WeakPolarHBondContact O-CB 3.48Å; D323-A326 PolarHBondContact O-N 3.31Å; D323-A347 PolarHBondContact N-O 3.12Å; D323-R350 WeakPolarHBondContact OD1-CB 3.47Å; D323-R350 IonicContact OD1-NE 2.92Å; D323-T351 HydrophobicContact CB-CG2 4.03Å
324	Q	95.2	Very high	97.7	Very high	18 Å²	18	40.8 Å²	40.8	8%	0.084	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.5	-171.2	-164	-179.6	26.2	0	0	113.4	V295 E296 L320 E322	V295-Q324 HydrophobicContact CB-CG 3.67Å; V295-Q324 HydrophobicContact CG1-CG 4.15Å; V295-Q324 HydrophobicContact CG2-CG 4.11Å; E296-Q324 VanDerWaalsContact CD-NE2 3.28Å; E296-Q324 WeakPolarHBondContact OE1-CG 3.49Å; E296-Q324 PolarHBondContact OE1-NE2 3.46Å; E296-Q324 PolarHBondContact OE2-NE2 2.88Å; L320-Q324 VanDerWaalsContact CB-OE1 3.28Å; E322-Q324 PolarHBondContact O-N 3.08Å
325	F	97.6	Very high	97.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	19.1	174.6	-57.3	-73.7	0	0	0	113.7	V295 L310 L312 L320 D323 G327 F328 L334 L336 T348 F349 S352	V295-F325 HydrophobicContact CG1-CD1 4.18Å; V295-F325 HydrophobicContact CG1-CE1 3.95Å; V295-F325 HydrophobicContact CG2-CE1 3.88Å; V295-F325 HydrophobicContact CG2-CZ 4.01Å; L310-F325 HydrophobicContact CD2-CD1 4.49Å; L312-F325 HydrophobicContact CD1-CE1 4.19Å; L320-F325 HydrophobicContact CD1-CE2 4Å; L320-F325 HydrophobicContact CD1-CZ 4.15Å; L320-F325 HydrophobicContact CD2-CZ 4.19Å; D323-F325 PolarHBondContact O-N 3.37Å; F325-G327 PolarHBondContact O-N 2.95Å; F325-G327 VanDerWaalsContact O-N 3.1Å; F325-F328 HydrophobicContact CD1-CD2 4.41Å; F325-F328 PolarHBondContact O-N 3.08Å; F325-L334 HydrophobicContact CD1-CD1 4.46Å; F325-L334 HydrophobicContact CD1-CD2 4.26Å; F325-L334 HydrophobicContact CD2-CD2 4.25Å; F325-L334 HydrophobicContact CE1-CD1 3.96Å; F325-L334 HydrophobicContact CE1-CD2 3.97Å; F325-L334 HydrophobicContact CE2-CD2 3.95Å; F325-L334 HydrophobicContact CG-CD2 4.4Å; F325-L334 HydrophobicContact CZ-CD1 4.42Å; F325-L334 HydrophobicContact CZ-CD2 3.83Å; F325-L336 HydrophobicContact CZ-CD1 3.84Å; F325-T348 HydrophobicContact CD2-CG2 4.01Å; F325-T348 HydrophobicContact CE2-CG2 3.69Å; F325-F349 HydrophobicContact CD2-CD1 4.14Å; F325-F349 HydrophobicContact CD2-CE1 4.18Å; F325-F349 HydrophobicContact CE2-CD1 4.27Å; F325-F349 AromaticContact CE2-CE1 3.84Å; F325-F349 HydrophobicContact CE2-CE1 3.84Å; F325-S352 WeakPolarHBondContact CB-OG 3.47Å; F325-S352 PolarHBondContact O-OG 3.28Å; F325-S352 VanDerWaalsContact O-OG 3.08Å
326	A	97	Very high	97.7	Very high	48 Å²	48	36.2 Å²	36.2	40%	0.397	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-25	175.5	0	0	0	0	0	113.3	D323 F328 T351	D323-A326 WeakPolarHBondContact O-CB 3.48Å; D323-A326 PolarHBondContact O-N 3.31Å; A326-F328 VanDerWaalsContact C-N 3.29Å; A326-F328 PolarHBondContact O-N 3.38Å; A326-T351 WeakPolarHBondContact CA-OG1 3.17Å; A326-T351 HydrophobicContact CB-CG2 4.02Å; A326-T351 PolarHBondContact N-OG1 3.49Å
327	G	97.7	Very high	97.7	Very high	17 Å²	17	32.9 Å²	32.9	18%	0.175	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-13.5	173.1	0	0	0	0	0	115.5	P303 L304 F325 P329	P303-G327 CarbonylContact C-O 3.52Å; P303-G327 WeakPolarHBondContact CA-O 3.38Å; L304-G327 PolarHBondContact N-O 3.15Å; F325-G327 PolarHBondContact O-N 2.95Å; F325-G327 VanDerWaalsContact O-N 3.1Å; G327-P329 VanDerWaalsContact C-CD 3.46Å
328	F	98.2	Very high	97.7	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.018	19%	0.189	C	C	.	.			trans	-131.2	53	-173.9	-52.2	-80.7	0	0	0	112.4	L285 I298 L300 L304 V307 L310 F325 A326 K330 V331 S352	L285-F328 HydrophobicContact CD2-CE1 4.14Å; I298-F328 HydrophobicContact CG2-CZ 4.23Å; L300-F328 HydrophobicContact CD1-CE1 4.13Å; L300-F328 HydrophobicContact CD1-CE2 4.17Å; L300-F328 HydrophobicContact CD1-CZ 3.86Å; L300-F328 HydrophobicContact CD2-CZ 4.29Å; L300-F328 HydrophobicContact CG-CZ 4.5Å; L304-F328 HydrophobicContact CB-CD1 4.43Å; L304-F328 HydrophobicContact CD1-CE1 4.03Å; V307-F328 HydrophobicContact CB-CD1 4.24Å; V307-F328 HydrophobicContact CG1-CD1 4.09Å; V307-F328 HydrophobicContact CG2-CD1 4.43Å; L310-F328 HydrophobicContact CD1-CE1 4.42Å; L310-F328 HydrophobicContact CD2-CB 4.48Å; L310-F328 HydrophobicContact CD2-CD1 4.09Å; L310-F328 HydrophobicContact CD2-CD2 3.74Å; L310-F328 HydrophobicContact CD2-CE1 4.2Å; L310-F328 HydrophobicContact CD2-CE2 3.88Å; L310-F328 HydrophobicContact CD2-CG 3.85Å; L310-F328 HydrophobicContact CD2-CZ 4.1Å; F325-F328 HydrophobicContact CD1-CD2 4.41Å; F325-F328 PolarHBondContact O-N 3.08Å; A326-F328 VanDerWaalsContact C-N 3.29Å; A326-F328 PolarHBondContact O-N 3.38Å; F328-K330 PolarHBondContact O-N 2.77Å; F328-V331 HydrophobicContact CB-CB 4.3Å; F328-V331 HydrophobicContact CB-CG1 4.41Å; F328-V331 VanDerWaalsContact O-CG1 3.28Å; F328-V331 WeakPolarHBondContact O-CG1 3.32Å; F328-V331 PolarHBondContact O-N 2.77Å; F328-V331 VanDerWaalsContact O-N 3.13Å; F328-S352 PolarHBondContact O-OG 2.94Å
329	P	97.6	Very high	97.7	Very high	28 Å²	28	32.2 Å²	32.2	18%	0.182	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.5	-166.8	27	-36.4	0	0	0	115	Y305 G327	Y305-P329 HydrophobicContact CD1-CG 3.6Å; Y305-P329 HydrophobicContact CE1-CG 3.78Å; Y305-P329 HydrophobicContact CG-CG 4.49Å; G327-P329 VanDerWaalsContact C-CD 3.46Å
330	K	98.1	Very high	97.8	Very high	93 Å²	93	30.8 Å²	30.8	40%	0.404	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	11.9	-178	-67.5	-56.8	-166.7	-178.4	0	114.3	Y305 V307 F328 K332 E354	Y305-K330 VanDerWaalsContact O-CB 3.26Å; Y305-K330 WeakPolarHBondContact O-CB 3.32Å; Y305-K330 WeakPolarHBondContact O-CG 3.37Å; V307-K330 CarbonylContact O-C 3.3Å; F328-K330 PolarHBondContact O-N 2.77Å; K330-K332 PolarHBondContact O-N 3.32Å; K330-E354 HydrophobicContact CD-CG 3.86Å; K330-E354 IonicContact NZ-OE1 3.72Å; K330-E354 PolarHBondContact NZ-OE1 2.69Å
331	V	98.6	Very high	97.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.167	C	C	.	.			trans	-61.8	128.9	178.6	68.1	0	0	0	0	110.9	V307 L310 F328 L333 L334 E354 I355	V307-V331 WeakPolarHBondContact O-CA 3.43Å; V307-V331 PolarHBondContact O-N 2.99Å; L310-V331 HydrophobicContact CB-CG2 3.91Å; F328-V331 HydrophobicContact CB-CB 4.3Å; F328-V331 HydrophobicContact CB-CG1 4.41Å; F328-V331 VanDerWaalsContact O-CG1 3.28Å; F328-V331 WeakPolarHBondContact O-CG1 3.32Å; F328-V331 PolarHBondContact O-N 2.77Å; F328-V331 VanDerWaalsContact O-N 3.13Å; V331-L333 VanDerWaalsContact CG2-O 3.25Å; V331-L333 WeakPolarHBondContact CG2-O 3.41Å; V331-L334 HydrophobicContact CG2-CB 4.21Å; V331-E354 CarbonylContact O-C 3.13Å; V331-E354 VanDerWaalsContact O-C 3.24Å; V331-I355 HydrophobicContact CG1-CD1 4.11Å; V331-I355 HydrophobicContact CG1-CG1 3.76Å; V331-I355 WeakPolarHBondContact O-CA 3.1Å; V331-I355 WeakPolarHBondContact O-CG1 3.45Å; V331-I355 PolarHBondContact O-N 3.11Å; V331-I355 VanDerWaalsContact O-N 3.15Å
332	K	98.8	Very high	97.9	Very high	67 Å²	67	30.8 Å²	30.8	29%	0.291	17%	0.173	S	C	.	.	S	Bend	trans	-105.7	-36.8	178.1	-64.4	178.2	-175.4	165.9	0	111.6	Q308 K330 R356 V357	Q308-K332 HydrophobicContact CB-CD 4.42Å; Q308-K332 HydrophobicContact CG-CD 4.32Å; Q308-K332 WeakPolarHBondContact O-CA 3.45Å; Q308-K332 PolarHBondContact O-N 3.1Å; K330-K332 PolarHBondContact O-N 3.32Å; K332-R356 HydrophobicContact CB-CG 4.48Å; K332-R356 PolarHBondContact O-N 3.25Å; K332-V357 PolarHBondContact O-N 2.96Å
333	L	98.8	Very high	97.8	Very high	43 Å²	43	32.5 Å²	32.5	23%	0.225	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	114.2	174.7	-173.3	161.7	0	0	0	108	Q308 S309 L310 Y311 V331 V357	Q308-L333 PolarHBondContact O-N 3.31Å; S309-L333 WeakPolarHBondContact CA-O 3.3Å; L310-L333 PolarHBondContact N-O 3.28Å; Y311-L333 HydrophobicContact CD1-CD2 4.23Å; Y311-L333 HydrophobicContact CE1-CD2 3.63Å; Y311-L333 HydrophobicContact CE2-CD2 4.2Å; V331-L333 VanDerWaalsContact CG2-O 3.25Å; V331-L333 WeakPolarHBondContact CG2-O 3.41Å; L333-V357 HydrophobicContact CB-CB 4.47Å; L333-V357 HydrophobicContact CG-CB 4.15Å; L333-V357 HydrophobicContact CG-CG1 4.28Å
334	L	98.8	Very high	98	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	118.5	174.9	175.9	60.2	0	0	0	108.9	L310 L312 F325 V331 L336 F349 I355 V357 L358 S359	L310-L334 HydrophobicContact CB-CD1 4.17Å; L310-L334 HydrophobicContact CD2-CD1 3.95Å; L310-L334 HydrophobicContact CG-CD1 4.08Å; L312-L334 HydrophobicContact CD1-CD1 4.46Å; F325-L334 HydrophobicContact CD1-CD1 4.46Å; F325-L334 HydrophobicContact CD1-CD2 4.26Å; F325-L334 HydrophobicContact CD2-CD2 4.25Å; F325-L334 HydrophobicContact CE1-CD1 3.96Å; F325-L334 HydrophobicContact CE1-CD2 3.97Å; F325-L334 HydrophobicContact CE2-CD2 3.95Å; F325-L334 HydrophobicContact CG-CD2 4.4Å; F325-L334 HydrophobicContact CZ-CD1 4.42Å; F325-L334 HydrophobicContact CZ-CD2 3.83Å; V331-L334 HydrophobicContact CG2-CB 4.21Å; L334-L336 HydrophobicContact CD1-CD1 4.23Å; L334-L336 HydrophobicContact CD1-CG 4.4Å; L334-L336 HydrophobicContact CD2-CD1 4.04Å; L334-L336 HydrophobicContact CG-CD1 4Å; L334-F349 HydrophobicContact CD2-CD1 4.49Å; L334-F349 HydrophobicContact CD2-CE1 3.9Å; L334-I355 HydrophobicContact CB-CD1 4.25Å; L334-I355 HydrophobicContact CD2-CD1 3.83Å; L334-V357 PolarHBondContact N-O 3.4Å; L334-L358 HydrophobicContact CB-CD1 4.24Å; L334-L358 HydrophobicContact CD2-CD1 3.98Å; L334-L358 HydrophobicContact CG-CD1 4.12Å; L334-S359 PolarHBondContact O-N 2.98Å
335	S	98.8	Very high	98.1	Very high	13 Å²	13	34 Å²	34	9%	0.091	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.2	179.3	-156.5	0	0	0	0	111	L310 L312 D313 S359	L310-S335 PolarHBondContact O-N 2.83Å; L312-S335 CarbonylContact C-O 3.47Å; L312-S335 WeakPolarHBondContact CA-O 3.41Å; L312-S335 WeakPolarHBondContact CB-O 3.37Å; L312-S335 PolarHBondContact N-O 2.92Å; D313-S335 VanDerWaalsContact CG-OG 3.23Å; D313-S335 WeakPolarHBondContact OD1-CB 3.44Å; D313-S335 PolarHBondContact OD1-OG 2.76Å; D313-S335 VanDerWaalsContact OD2-CB 3.26Å; D313-S335 WeakPolarHBondContact OD2-CB 3.24Å; D313-S335 PolarHBondContact OD2-OG 3.13Å; S335-S359 VanDerWaalsContact OG-CB 3.28Å; S335-S359 WeakPolarHBondContact OG-CB 3.34Å; S335-S359 PolarHBondContact OG-OG 3.25Å
336	L	98.8	Very high	98	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.205	C	C	.	.			trans	-128.9	24	-179	-75.8	149.3	0	0	0	109.8	L312 D313 I317 L320 F325 L334 N339 L341 S359 L360 N363	L312-L336 HydrophobicContact CB-CD2 3.81Å; L312-L336 HydrophobicContact CB-CG 4.37Å; L312-L336 HydrophobicContact CD1-CD2 3.88Å; D313-L336 PolarHBondContact OD1-N 3.04Å; I317-L336 HydrophobicContact CD1-CD2 3.86Å; L320-L336 HydrophobicContact CD1-CD1 3.94Å; F325-L336 HydrophobicContact CZ-CD1 3.84Å; L334-L336 HydrophobicContact CD1-CD1 4.23Å; L334-L336 HydrophobicContact CD1-CG 4.4Å; L334-L336 HydrophobicContact CD2-CD1 4.04Å; L334-L336 HydrophobicContact CG-CD1 4Å; L336-N339 PolarHBondContact O-ND2 2.99Å; L336-L341 HydrophobicContact CB-CD1 4.25Å; L336-S359 PolarHBondContact N-O 3.4Å; L336-L360 HydrophobicContact CB-CD2 4Å; L336-L360 HydrophobicContact CD1-CD2 3.95Å; L336-N363 PolarHBondContact O-ND2 2.93Å
337	A	98.8	Very high	98	Very high	7 Å²	7	34.4 Å²	34.4	6%	0.058	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	151.4	-176.1	0	0	0	0	0	111.4	D313 Q314 N339 Q361	D313-A337 CarbonylContact C-O 3.25Å; D313-A337 WeakPolarHBondContact CA-O 3.48Å; D313-A337 HydrophobicContact CB-CB 4.48Å; D313-A337 WeakPolarHBondContact CB-O 3.41Å; D313-A337 WeakPolarHBondContact OD1-CA 3.35Å; D313-A337 WeakPolarHBondContact OD1-CB 3.44Å; D313-A337 PolarHBondContact OD1-N 3.47Å; Q314-A337 PolarHBondContact N-O 3.29Å; A337-N339 VanDerWaalsContact C-N 3.28Å; A337-N339 PolarHBondContact O-N 3.33Å; A337-N339 PolarHBondContact O-ND2 3.11Å; A337-Q361 CarbonylContact C-O 3.49Å; A337-Q361 WeakPolarHBondContact CA-O 3.31Å; A337-Q361 HydrophobicContact CB-CG 3.86Å
338	S	98.8	Very high	98	Very high	38 Å²	38	33.6 Å²	33.6	27%	0.266	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	40.1	177.2	-59.3	0	0	0	0	113.2	Q314 Q361 R362	Q314-S338 VanDerWaalsContact CA-O 3.27Å; Q314-S338 WeakPolarHBondContact CA-O 3.21Å; Q314-S338 PolarHBondContact N-O 3.1Å; S338-Q361 PolarHBondContact N-O 2.98Å; S338-R362 WeakPolarHBondContact CA-O 3.24Å; S338-R362 PolarHBondContact N-O 3.44Å; S338-R362 VanDerWaalsContact OG-CD 3.3Å; S338-R362 WeakPolarHBondContact OG-CD 3.06Å
339	N	98.8	Very high	98	Very high	9 Å²	9	33.4 Å²	33.4	5%	0.048	18%	0.18	C	C	.	.	S	Bend	trans	-101.3	-162.5	168.6	-86.6	-82.7	0	0	0	109.8	L312 N315 M316 I317 L336 A337 L341 R362 N363	L312-N339 PolarHBondContact O-ND2 3.44Å; N315-N339 VanDerWaalsContact CA-OD1 3.32Å; N315-N339 WeakPolarHBondContact CA-OD1 3.38Å; N315-N339 WeakPolarHBondContact CB-OD1 3.46Å; N315-N339 PolarHBondContact N-OD1 2.74Å; N315-N339 PolarHBondContact O-OD1 3.13Å; M316-N339 PolarHBondContact N-OD1 3.01Å; I317-N339 HydrophobicContact CB-CB 4.36Å; I317-N339 WeakPolarHBondContact CB-OD1 3.33Å; I317-N339 WeakPolarHBondContact CG1-OD1 3.39Å; I317-N339 PolarHBondContact N-OD1 3.13Å; L336-N339 PolarHBondContact O-ND2 2.99Å; A337-N339 VanDerWaalsContact C-N 3.28Å; A337-N339 PolarHBondContact O-N 3.33Å; A337-N339 PolarHBondContact O-ND2 3.11Å; N339-L341 HydrophobicContact CB-CG 4.24Å; N339-R362 PolarHBondContact N-O 2.96Å; N339-N363 VanDerWaalsContact CA-OD1 3.28Å; N339-N363 WeakPolarHBondContact CA-OD1 3.46Å; N339-N363 WeakPolarHBondContact CB-OD1 3.47Å; N339-N363 PolarHBondContact N-OD1 3.2Å; N339-N363 PolarHBondContact O-OD1 3.27Å
340	Q	98.4	Very high	97.9	Very high	61 Å²	61	37.6 Å²	37.6	29%	0.285	19%	0.192	S	C	.	.			trans	-118.1	27.9	178.5	-57.1	-171.5	36.2	0	0	111.7	I317 T318 S342 N363	I317-Q340 CarbonylContact O-C 3.5Å; I317-Q340 VanDerWaalsContact O-CA 3.3Å; I317-Q340 WeakPolarHBondContact O-CA 3.49Å; I317-Q340 PolarHBondContact O-N 3.37Å; T318-Q340 WeakPolarHBondContact CA-O 3.22Å; T318-Q340 HydrophobicContact CG2-CB 4.17Å; Q340-S342 PolarHBondContact O-N 2.95Å; Q340-S342 VanDerWaalsContact O-N 3.13Å; Q340-N363 PolarHBondContact N-OD1 3.43Å
341	L	98.6	Very high	97.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.			trans	-62.3	115.5	-173.6	-64.6	174.9	0	0	0	110.5	I317 T318 L320 L336 N339 L344 L360 N363 R364 L365	I317-L341 HydrophobicContact CB-CD2 4.25Å; I317-L341 HydrophobicContact CG2-CD2 3.64Å; I317-L341 PolarHBondContact O-N 3.47Å; I317-L341 VanDerWaalsContact O-N 3.14Å; T318-L341 WeakPolarHBondContact O-CA 3.42Å; L320-L341 HydrophobicContact CD1-CD1 4.21Å; L320-L341 HydrophobicContact CD2-CD2 3.83Å; L320-L341 HydrophobicContact CG-CD1 4.33Å; L320-L341 HydrophobicContact CG-CD2 3.8Å; L336-L341 HydrophobicContact CB-CD1 4.25Å; N339-L341 HydrophobicContact CB-CG 4.24Å; L341-L344 HydrophobicContact CD1-CD2 4.39Å; L341-L360 HydrophobicContact CD1-CD2 3.8Å; L341-N363 HydrophobicContact CB-CB 3.98Å; L341-N363 VanDerWaalsContact CB-OD1 3.28Å; L341-N363 WeakPolarHBondContact CB-OD1 3.48Å; L341-N363 WeakPolarHBondContact CG-OD1 3.39Å; L341-N363 PolarHBondContact N-OD1 2.73Å; L341-R364 CarbonylContact O-C 3.58Å; L341-R364 VanDerWaalsContact O-CA 3.24Å; L341-R364 WeakPolarHBondContact O-CA 3.4Å; L341-R364 PolarHBondContact O-N 2.62Å; L341-L365 HydrophobicContact CB-CD2 4.09Å; L341-L365 HydrophobicContact CB-CG 4.49Å; L341-L365 PolarHBondContact O-N 2.83Å; L341-L365 VanDerWaalsContact O-N 3.09Å
342	S	97.9	Very high	97.8	Very high	54 Å²	54	35.3 Å²	35.3	38%	0.378	19%	0.186	S	C	.	.			trans	-108.1	-16.4	173	59.2	0	0	0	0	112.8	T318 Q340	T318-S342 PolarHBondContact O-N 2.93Å; T318-S342 PolarHBondContact O-OG 3.03Å; Q340-S342 PolarHBondContact O-N 2.95Å; Q340-S342 VanDerWaalsContact O-N 3.13Å
343	Q	95.7	Very high	97.6	Very high	131 Å²	131	39.3 Å²	39.3	61%	0.612	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-143.5	137.9	-176.5	-63.2	179.4	5.5	0	0	111.2	K319 L320	K319-Q343 WeakPolarHBondContact CA-O 3.22Å; K319-Q343 HydrophobicContact CB-CB 4.28Å; L320-Q343 PolarHBondContact N-O 3.01Å; L320-Q343 VanDerWaalsContact N-O 3.08Å
344	L	97.7	Very high	97.6	Very high	14 Å²	14	39.8 Å²	39.8	7%	0.073	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	136.2	169.5	-54.9	-178.1	0	0	0	108.3	L320 L341 L360 L365 L368 P369 V372	L320-L344 HydrophobicContact CB-CD2 4.07Å; L320-L344 HydrophobicContact CD1-CD2 3.62Å; L320-L344 HydrophobicContact CG-CD2 3.81Å; L341-L344 HydrophobicContact CD1-CD2 4.39Å; L344-L360 HydrophobicContact CD1-CD1 4.25Å; L344-L365 HydrophobicContact CD1-CD1 4.06Å; L344-L365 HydrophobicContact CD1-CD2 4.23Å; L344-L365 HydrophobicContact CD2-CD2 4.07Å; L344-L365 HydrophobicContact CG-CD1 4.45Å; L344-L365 HydrophobicContact CG-CD2 3.74Å; L344-L368 HydrophobicContact CD1-CD2 3.79Å; L344-P369 HydrophobicContact CB-CG 4.45Å; L344-P369 WeakPolarHBondContact O-CG 3.24Å; L344-V372 HydrophobicContact CB-CG2 4.41Å
345	H	97.4	Very high	97.6	Very high	86 Å²	86	39.8 Å²	39.8	40%	0.398	20%	0.201	S	C	.	.			trans	-79.8	143.4	170.2	-168.9	-96.3	0	0	0	110.1	L320 A347 T348	L320-H345 WeakPolarHBondContact O-CB 3.5Å; L320-H345 PolarHBondContact O-N 2.91Å; H345-A347 PolarHBondContact ND1-N 3.45Å; H345-A347 PolarHBondContact O-N 2.68Å; H345-T348 PolarHBondContact N-OG1 2.98Å; H345-T348 WeakPolarHBondContact O-CB 3.21Å; H345-T348 PolarHBondContact O-N 3.13Å; H345-T348 PolarHBondContact O-OG1 3.29Å
346	A	95.9	Very high	97.6	Very high	50 Å²	50	45 Å²	45	41%	0.413	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-26.2	-178.1	0	0	0	0	0	113.4	P369	A346-P369 HydrophobicContact CB-CB 3.94Å
347	A	96.5	Very high	97.6	Very high	7 Å²	7	46.7 Å²	46.7	6%	0.058	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	12.1	179	0	0	0	0	0	114.7	E322 D323 H345 F349 R350	E322-A347 HydrophobicContact CB-CB 4.4Å; E322-A347 HydrophobicContact CG-CB 3.84Å; E322-A347 WeakPolarHBondContact OE1-CB 3.38Å; D323-A347 PolarHBondContact N-O 3.12Å; H345-A347 PolarHBondContact ND1-N 3.45Å; H345-A347 PolarHBondContact O-N 2.68Å; A347-F349 VanDerWaalsContact C-N 3.27Å; A347-F349 PolarHBondContact O-N 3.47Å; A347-R350 WeakPolarHBondContact O-CB 3.48Å; A347-R350 PolarHBondContact O-N 2.82Å
348	T	97.4	Very high	97.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-39	-176.6	-73.5	0	0	0	0	113.4	L320 N321 F325 H345	L320-T348 HydrophobicContact CB-CG2 3.58Å; L320-T348 HydrophobicContact CD1-CG2 3.83Å; L320-T348 HydrophobicContact CG-CG2 4.31Å; L320-T348 PolarHBondContact O-OG1 3.3Å; N321-T348 WeakPolarHBondContact O-CA 3.09Å; N321-T348 PolarHBondContact O-OG1 3.24Å; F325-T348 HydrophobicContact CD2-CG2 4.01Å; F325-T348 HydrophobicContact CE2-CG2 3.69Å; H345-T348 PolarHBondContact N-OG1 2.98Å; H345-T348 WeakPolarHBondContact O-CB 3.21Å; H345-T348 PolarHBondContact O-N 3.13Å; H345-T348 PolarHBondContact O-OG1 3.29Å
349	F	97.3	Very high	97.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	10.9	-175.1	-57	-65.4	0	0	0	114.4	L320 F325 L334 A347 T351 S352 I355 L358 V372 F373 L376	L320-F349 HydrophobicContact CD1-CZ 4.4Å; F325-F349 HydrophobicContact CD2-CD1 4.14Å; F325-F349 HydrophobicContact CD2-CE1 4.18Å; F325-F349 HydrophobicContact CE2-CD1 4.27Å; F325-F349 AromaticContact CE2-CE1 3.84Å; F325-F349 HydrophobicContact CE2-CE1 3.84Å; L334-F349 HydrophobicContact CD2-CD1 4.49Å; L334-F349 HydrophobicContact CD2-CE1 3.9Å; A347-F349 VanDerWaalsContact C-N 3.27Å; A347-F349 PolarHBondContact O-N 3.47Å; F349-T351 PolarHBondContact O-N 3.26Å; F349-S352 PolarHBondContact O-N 2.82Å; F349-I355 HydrophobicContact CD1-CD1 3.92Å; F349-I355 HydrophobicContact CE1-CD1 4.41Å; F349-L358 HydrophobicContact CE1-CD1 4.07Å; F349-L358 HydrophobicContact CE1-CD2 4.2Å; F349-L358 HydrophobicContact CE2-CD2 3.96Å; F349-L358 HydrophobicContact CZ-CD1 4.07Å; F349-L358 HydrophobicContact CZ-CD2 3.71Å; F349-V372 HydrophobicContact CD2-CG2 4.14Å; F349-V372 HydrophobicContact CE2-CG2 4.21Å; F349-F373 HydrophobicContact CD2-CD1 4.33Å; F349-F373 HydrophobicContact CE2-CD1 4.19Å; F349-F373 HydrophobicContact CE2-CE1 4.06Å; F349-L376 HydrophobicContact CB-CD1 4.32Å; F349-L376 HydrophobicContact CB-CD2 3.85Å; F349-L376 HydrophobicContact CB-CG 4.17Å; F349-L376 HydrophobicContact CD2-CD1 4.34Å; F349-L376 HydrophobicContact CG-CD1 4.19Å; F349-L376 HydrophobicContact CG-CD2 4.49Å
350	R	96.4	Very high	97.6	Very high	116 Å²	116	44.4 Å²	44.4	44%	0.438	21%	0.213	S	C	.	.	S	Bend	trans	-60	-33.2	-173.7	-172.4	-156.9	-60.7	-89.2	12.1	113.1	E322 D323 A347 R353	E322-R350 IonicContact OE1-CZ 3.84Å; E322-R350 IonicContact OE1-NE 3.83Å; E322-R350 IonicContact OE1-NH2 2.69Å; E322-R350 PolarHBondContact OE1-NH2 3.41Å; D323-R350 WeakPolarHBondContact OD1-CB 3.47Å; D323-R350 IonicContact OD1-NE 2.92Å; A347-R350 WeakPolarHBondContact O-CB 3.48Å; A347-R350 PolarHBondContact O-N 2.82Å; R350-R353 PolarHBondContact O-NE 3.22Å
351	T	96.4	Very high	97.6	Very high	45 Å²	45	43.1 Å²	43.1	28%	0.276	21%	0.207	S	C	.	.	S	Bend	trans	-89.9	-28.7	-178.6	52.5	0	0	0	0	114.2	D323 A326 F349 R353	D323-T351 HydrophobicContact CB-CG2 4.03Å; A326-T351 WeakPolarHBondContact CA-OG1 3.17Å; A326-T351 HydrophobicContact CB-CG2 4.02Å; A326-T351 PolarHBondContact N-OG1 3.49Å; F349-T351 PolarHBondContact O-N 3.26Å; T351-R353 PolarHBondContact O-N 2.98Å
352	S	97	Very high	97.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.23	C	C	.	.			trans	-101.5	68.1	-175.9	-70.8	0	0	0	0	112.2	F325 F328 F349 E354 I355 L376	F325-S352 WeakPolarHBondContact CB-OG 3.47Å; F325-S352 PolarHBondContact O-OG 3.28Å; F325-S352 VanDerWaalsContact O-OG 3.08Å; F328-S352 PolarHBondContact O-OG 2.94Å; F349-S352 PolarHBondContact O-N 2.82Å; S352-E354 VanDerWaalsContact C-N 3.33Å; S352-E354 PolarHBondContact O-N 2.98Å; S352-I355 WeakPolarHBondContact O-CD1 3.18Å; S352-I355 WeakPolarHBondContact O-CG1 3.1Å; S352-L376 WeakPolarHBondContact O-CD2 3.3Å
353	R	96.5	Very high	97.6	Very high	152 Å²	152	47.3 Å²	47.3	57%	0.574	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-10.4	-170.4	-56.6	-175.8	-173.6	-177.9	1.5	115.1	R350 T351 I355 P375	R350-R353 PolarHBondContact O-NE 3.22Å; T351-R353 PolarHBondContact O-N 2.98Å; R353-I355 VanDerWaalsContact C-N 3.31Å; R353-P375 HydrophobicContact CG-CB 4.29Å
354	E	97.7	Very high	97.8	Very high	53 Å²	53	47.1 Å²	47.1	25%	0.248	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	0.9	-175.4	-61.2	-81.6	-165.7	0	0	113.1	K330 V331 S352 R356	K330-E354 HydrophobicContact CD-CG 3.86Å; K330-E354 IonicContact NZ-OE1 3.72Å; K330-E354 PolarHBondContact NZ-OE1 2.69Å; V331-E354 CarbonylContact O-C 3.13Å; V331-E354 VanDerWaalsContact O-C 3.24Å; S352-E354 VanDerWaalsContact C-N 3.33Å; S352-E354 PolarHBondContact O-N 2.98Å; E354-R356 PolarHBondContact O-N 2.77Å
355	I	98.5	Very high	97.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	21%	0.206	C	C	.	.			trans	-60.6	124.2	-178.1	-64.6	171	0	0	0	109.8	V331 L334 F349 S352 R353 L358 L376 N378 L379	V331-I355 HydrophobicContact CG1-CD1 4.11Å; V331-I355 HydrophobicContact CG1-CG1 3.76Å; V331-I355 WeakPolarHBondContact O-CA 3.1Å; V331-I355 WeakPolarHBondContact O-CG1 3.45Å; V331-I355 PolarHBondContact O-N 3.11Å; V331-I355 VanDerWaalsContact O-N 3.15Å; L334-I355 HydrophobicContact CB-CD1 4.25Å; L334-I355 HydrophobicContact CD2-CD1 3.83Å; F349-I355 HydrophobicContact CD1-CD1 3.92Å; F349-I355 HydrophobicContact CE1-CD1 4.41Å; S352-I355 WeakPolarHBondContact O-CD1 3.18Å; S352-I355 WeakPolarHBondContact O-CG1 3.1Å; R353-I355 VanDerWaalsContact C-N 3.31Å; I355-L358 HydrophobicContact CG2-CB 3.98Å; I355-L376 HydrophobicContact CB-CD1 4.41Å; I355-L376 HydrophobicContact CB-CD2 3.96Å; I355-L376 HydrophobicContact CD1-CD2 4.09Å; I355-L376 HydrophobicContact CG1-CD2 4.34Å; I355-L376 HydrophobicContact CG2-CD1 4.45Å; I355-N378 CarbonylContact O-C 3.49Å; I355-L379 HydrophobicContact CG2-CD1 3.97Å; I355-L379 WeakPolarHBondContact O-CA 3.27Å; I355-L379 PolarHBondContact O-N 3Å
356	R	98.6	Very high	97.8	Very high	121 Å²	121	45.4 Å²	45.4	46%	0.457	21%	0.205	S	C	.	.	S	Bend	trans	-107.7	-30.3	174.7	-58.5	-174.9	-177.1	-173.6	-4.8	112.2	K332 E354 N378 S380 K381	K332-R356 HydrophobicContact CB-CG 4.48Å; K332-R356 PolarHBondContact O-N 3.25Å; E354-R356 PolarHBondContact O-N 2.77Å; R356-N378 WeakPolarHBondContact CA-O 3.25Å; R356-N378 HydrophobicContact CG-CB 4.47Å; R356-S380 WeakPolarHBondContact O-CA 3.38Å; R356-S380 WeakPolarHBondContact O-CB 3.32Å; R356-S380 PolarHBondContact O-N 3.27Å; R356-K381 PolarHBondContact O-N 3.37Å
357	V	98.8	Very high	97.8	Very high	36 Å²	36	47.3 Å²	47.3	22%	0.218	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	115.3	178.9	179.9	0	0	0	0	107.9	K332 L333 L334 K381	K332-V357 PolarHBondContact O-N 2.96Å; L333-V357 HydrophobicContact CB-CB 4.47Å; L333-V357 HydrophobicContact CG-CB 4.15Å; L333-V357 HydrophobicContact CG-CG1 4.28Å; L334-V357 PolarHBondContact N-O 3.4Å; V357-K381 WeakPolarHBondContact CA-O 3.5Å; V357-K381 HydrophobicContact CB-CB 4.48Å; V357-K381 HydrophobicContact CG1-CB 4.22Å; V357-K381 HydrophobicContact CG2-CB 4.18Å; V357-K381 HydrophobicContact CG2-CD 4.13Å; V357-K381 HydrophobicContact CG2-CG 4.25Å
358	L	98.8	Very high	97.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	119	175.3	-177.4	56.7	0	0	0	109.7	L334 F349 I355 L360 F373 L376 L379 K381 L382 I383	L334-L358 HydrophobicContact CB-CD1 4.24Å; L334-L358 HydrophobicContact CD2-CD1 3.98Å; L334-L358 HydrophobicContact CG-CD1 4.12Å; F349-L358 HydrophobicContact CE1-CD1 4.07Å; F349-L358 HydrophobicContact CE1-CD2 4.2Å; F349-L358 HydrophobicContact CE2-CD2 3.96Å; F349-L358 HydrophobicContact CZ-CD1 4.07Å; F349-L358 HydrophobicContact CZ-CD2 3.71Å; I355-L358 HydrophobicContact CG2-CB 3.98Å; L358-L360 HydrophobicContact CD1-CD1 4.41Å; L358-L360 HydrophobicContact CD1-CD2 4.49Å; L358-L360 HydrophobicContact CD1-CG 4.16Å; L358-L360 HydrophobicContact CD2-CD1 3.95Å; L358-L360 HydrophobicContact CG-CD1 4.02Å; L358-L360 HydrophobicContact CG-CG 4.07Å; L358-F373 HydrophobicContact CD2-CD1 3.95Å; L358-F373 HydrophobicContact CD2-CE1 3.72Å; L358-L376 HydrophobicContact CD2-CD1 3.97Å; L358-L379 HydrophobicContact CB-CD1 3.8Å; L358-K381 PolarHBondContact N-O 3.42Å; L358-L382 HydrophobicContact CB-CD1 4.12Å; L358-L382 HydrophobicContact CD2-CD1 3.98Å; L358-L382 HydrophobicContact CG-CD1 4.14Å; L358-I383 PolarHBondContact O-N 2.92Å
359	S	98.8	Very high	97.7	Very high	6 Å²	6	49.7 Å²	49.7	4%	0.042	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	109.6	-176.1	157.3	0	0	0	0	108.9	L334 S335 L336 Q361	L334-S359 PolarHBondContact O-N 2.98Å; S335-S359 VanDerWaalsContact OG-CB 3.28Å; S335-S359 WeakPolarHBondContact OG-CB 3.34Å; S335-S359 PolarHBondContact OG-OG 3.25Å; L336-S359 PolarHBondContact N-O 3.4Å; S359-Q361 PolarHBondContact OG-NE2 3.42Å; S359-Q361 PolarHBondContact OG-OE1 2.93Å
360	L	98.7	Very high	97.5	Very high	0 Å²	0	54 Å²	54	0%	0	25%	0.252	C	S	.	.			trans	-125	12.1	-177	-69.7	170.9	0	0	0	111.8	L336 L341 L344 L358 N363 F373 I383 L384 N387	L336-L360 HydrophobicContact CB-CD2 4Å; L336-L360 HydrophobicContact CD1-CD2 3.95Å; L341-L360 HydrophobicContact CD1-CD2 3.8Å; L344-L360 HydrophobicContact CD1-CD1 4.25Å; L358-L360 HydrophobicContact CD1-CD1 4.41Å; L358-L360 HydrophobicContact CD1-CD2 4.49Å; L358-L360 HydrophobicContact CD1-CG 4.16Å; L358-L360 HydrophobicContact CD2-CD1 3.95Å; L358-L360 HydrophobicContact CG-CD1 4.02Å; L358-L360 HydrophobicContact CG-CG 4.07Å; L360-N363 PolarHBondContact O-ND2 3.34Å; L360-F373 HydrophobicContact CD1-CE1 4.29Å; L360-I383 CarbonylContact C-O 3.51Å; L360-I383 WeakPolarHBondContact CA-O 3.42Å; L360-I383 PolarHBondContact N-O 3.24Å; L360-L384 HydrophobicContact CB-CD2 4.01Å; L360-L384 HydrophobicContact CD1-CD2 3.9Å; L360-N387 PolarHBondContact O-ND2 3.03Å
361	Q	98.7	Very high	97.2	Very high	35 Å²	35	49.3 Å²	49.3	16%	0.164	24%	0.24	C	C	.	.			trans	-65.7	158.2	-178.7	66.1	-80	11.7	0	0	113.3	A337 S338 S359 N363 I383 S385	A337-Q361 CarbonylContact C-O 3.49Å; A337-Q361 WeakPolarHBondContact CA-O 3.31Å; A337-Q361 HydrophobicContact CB-CG 3.86Å; S338-Q361 PolarHBondContact N-O 2.98Å; S359-Q361 PolarHBondContact OG-NE2 3.42Å; S359-Q361 PolarHBondContact OG-OE1 2.93Å; Q361-N363 PolarHBondContact O-ND2 3.42Å; Q361-I383 HydrophobicContact CB-CG2 3.96Å; Q361-I383 HydrophobicContact CG-CG2 4.16Å; Q361-I383 PolarHBondContact N-O 3.29Å; Q361-S385 CarbonylContact C-O 3.58Å; Q361-S385 WeakPolarHBondContact CA-O 2.92Å; Q361-S385 WeakPolarHBondContact CB-O 3.32Å
362	R	98.8	Very high	97.2	Very high	129 Å²	129	47.2 Å²	47.2	49%	0.487	23%	0.227	S	C	.	.	S	Bend	trans	56.9	49.3	-179	-63.1	178.9	-175.5	137.2	15	111.8	S338 N339 S385 E386	S338-R362 WeakPolarHBondContact CA-O 3.24Å; S338-R362 PolarHBondContact N-O 3.44Å; S338-R362 VanDerWaalsContact OG-CD 3.3Å; S338-R362 WeakPolarHBondContact OG-CD 3.06Å; N339-R362 PolarHBondContact N-O 2.96Å; R362-S385 PolarHBondContact N-O 2.97Å; R362-E386 WeakPolarHBondContact CA-O 3.29Å; R362-E386 HydrophobicContact CB-CB 4.45Å; R362-E386 HydrophobicContact CG-CB 3.71Å; R362-E386 VanDerWaalsContact CG-CD 3.46Å; R362-E386 HydrophobicContact CG-CG 4.19Å; R362-E386 WeakPolarHBondContact CG-OE2 2.97Å; R362-E386 IonicContact CZ-OE1 3.53Å; R362-E386 VanDerWaalsContact CZ-OE1 3.28Å; R362-E386 IonicContact CZ-OE2 3.53Å; R362-E386 PolarHBondContact N-O 3.14Å; R362-E386 VanDerWaalsContact N-O 3.13Å; R362-E386 IonicContact NE-OE1 4Å; R362-E386 PolarHBondContact NE-OE1 3.36Å; R362-E386 IonicContact NE-OE2 3.26Å; R362-E386 PolarHBondContact NE-OE2 2.96Å; R362-E386 IonicContact NH2-OE1 3.82Å; R362-E386 PolarHBondContact NH2-OE1 2.93Å; R362-E386 IonicContact NH2-OE2 2.78Å
363	N	98.8	Very high	97.2	Very high	12 Å²	12	47.2 Å²	47.2	6%	0.064	23%	0.227	C	C	.	.	S	Bend	trans	-120	-164.3	173.2	-84.6	-71.9	0	0	0	109.2	L336 N339 Q340 L341 L360 Q361 L365 E386 N387	L336-N363 PolarHBondContact O-ND2 2.93Å; N339-N363 VanDerWaalsContact CA-OD1 3.28Å; N339-N363 WeakPolarHBondContact CA-OD1 3.46Å; N339-N363 WeakPolarHBondContact CB-OD1 3.47Å; N339-N363 PolarHBondContact N-OD1 3.2Å; N339-N363 PolarHBondContact O-OD1 3.27Å; Q340-N363 PolarHBondContact N-OD1 3.43Å; L341-N363 HydrophobicContact CB-CB 3.98Å; L341-N363 VanDerWaalsContact CB-OD1 3.28Å; L341-N363 WeakPolarHBondContact CB-OD1 3.48Å; L341-N363 WeakPolarHBondContact CG-OD1 3.39Å; L341-N363 PolarHBondContact N-OD1 2.73Å; L360-N363 PolarHBondContact O-ND2 3.34Å; Q361-N363 PolarHBondContact O-ND2 3.42Å; N363-L365 HydrophobicContact CB-CG 4.41Å; N363-E386 PolarHBondContact N-O 3.21Å; N363-N387 VanDerWaalsContact CA-OD1 3.32Å; N363-N387 WeakPolarHBondContact CA-OD1 3.46Å; N363-N387 WeakPolarHBondContact CB-OD1 2.98Å; N363-N387 PolarHBondContact O-OD1 2.92Å
364	R	98.4	Very high	97.1	Very high	128 Å²	128	41.8 Å²	41.8	48%	0.483	22%	0.215	S	C	.	.			trans	-122.9	26.4	-176.9	-59.5	-179.2	-178.8	154.5	3.3	111.7	L341 T366 N387	L341-R364 CarbonylContact O-C 3.58Å; L341-R364 VanDerWaalsContact O-CA 3.24Å; L341-R364 WeakPolarHBondContact O-CA 3.4Å; L341-R364 PolarHBondContact O-N 2.62Å; R364-T366 PolarHBondContact O-N 2.88Å; R364-N387 PolarHBondContact N-OD1 2.88Å
365	L	98.5	Very high	97.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.213	C	C	.	.			trans	-66.8	124.9	-177.5	-61.8	173.5	0	0	0	109.6	L341 L344 N363 L368 L384 N387 N388 L389	L341-L365 HydrophobicContact CB-CD2 4.09Å; L341-L365 HydrophobicContact CB-CG 4.49Å; L341-L365 PolarHBondContact O-N 2.83Å; L341-L365 VanDerWaalsContact O-N 3.09Å; L344-L365 HydrophobicContact CD1-CD1 4.06Å; L344-L365 HydrophobicContact CD1-CD2 4.23Å; L344-L365 HydrophobicContact CD2-CD2 4.07Å; L344-L365 HydrophobicContact CG-CD1 4.45Å; L344-L365 HydrophobicContact CG-CD2 3.74Å; N363-L365 HydrophobicContact CB-CG 4.41Å; L365-L368 HydrophobicContact CD1-CD2 4.16Å; L365-L384 HydrophobicContact CD1-CD2 4.46Å; L365-N387 HydrophobicContact CB-CB 4.34Å; L365-N387 WeakPolarHBondContact CB-OD1 3.46Å; L365-N387 WeakPolarHBondContact CG-OD1 3.31Å; L365-N387 PolarHBondContact N-OD1 3.46Å; L365-N388 CarbonylContact O-C 3.09Å; L365-N388 VanDerWaalsContact O-CA 3.24Å; L365-N388 WeakPolarHBondContact O-CA 3.26Å; L365-N388 WeakPolarHBondContact O-CB 3.41Å; L365-N388 PolarHBondContact O-N 2.84Å; L365-L389 HydrophobicContact CB-CD2 4.13Å; L365-L389 PolarHBondContact O-N 3.37Å
366	T	97.5	Very high	97	Very high	64 Å²	64	40.7 Å²	40.7	39%	0.393	21%	0.213	S	C	.	.			trans	-94.9	-30.5	175.1	59.4	0	0	0	0	112.3	R364 N388 L389 T390	R364-T366 PolarHBondContact O-N 2.88Å; T366-N388 HydrophobicContact CG2-CB 4.18Å; T366-L389 WeakPolarHBondContact O-CA 3.48Å; T366-T390 PolarHBondContact O-N 3.46Å
367	D	95.5	Very high	96.8	Very high	89 Å²	89	38.9 Å²	38.9	48%	0.476	22%	0.215	S	C	.	.			trans	-149.4	166.2	-177.1	-52.9	-72.3	0	0	0	109.7
368	L	96.6	Very high	96.6	Very high	20 Å²	20	40.6 Å²	40.6	11%	0.105	22%	0.223	C	C	.	.			trans	-125.5	127.9	177.8	-64.3	169.3	0	0	0	108.9	L344 L365 F373 L384 L389 T396	L344-L368 HydrophobicContact CD1-CD2 3.79Å; L365-L368 HydrophobicContact CD1-CD2 4.16Å; L368-F373 HydrophobicContact CD1-CE2 4.05Å; L368-F373 HydrophobicContact CD1-CZ 4.31Å; L368-F373 HydrophobicContact CD2-CZ 4.22Å; L368-L384 HydrophobicContact CD1-CD1 3.89Å; L368-L384 HydrophobicContact CD1-CD2 4.39Å; L368-L384 HydrophobicContact CD2-CD2 4.39Å; L368-L389 HydrophobicContact CD1-CD1 4.03Å; L368-L389 HydrophobicContact CD1-CD2 4.24Å; L368-L389 HydrophobicContact CD2-CD2 4.43Å; L368-L389 HydrophobicContact CG-CD2 3.86Å; L368-T396 HydrophobicContact CB-CG2 4.09Å; L368-T396 HydrophobicContact CD1-CG2 3.85Å
369	P	95.2	Very high	96.6	Very high	38 Å²	38	40.6 Å²	40.6	25%	0.247	22%	0.223	C	C	.	.			trans	-60.4	142.6	176.7	-16.7	26	0	0	0	111.7	L344 A346 G371 V372	L344-P369 HydrophobicContact CB-CG 4.45Å; L344-P369 WeakPolarHBondContact O-CG 3.24Å; A346-P369 HydrophobicContact CB-CB 3.94Å; P369-G371 PolarHBondContact O-N 3.49Å; P369-V372 HydrophobicContact CB-CB 4.29Å; P369-V372 HydrophobicContact CG-CB 4.42Å; P369-V372 WeakPolarHBondContact O-CB 3.13Å; P369-V372 WeakPolarHBondContact O-CG1 3.1Å; P369-V372 PolarHBondContact O-N 3.19Å; P369-V372 VanDerWaalsContact O-N 3.12Å
370	S	92.7	Very high	96.5	Very high	89 Å²	89	42 Å²	42	62%	0.622	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	129.2	176.2	-52.7	0	0	0	0	111.3	V372	S370-V372 PolarHBondContact O-N 3.22Å
371	G	91.2	Very high	96.5	Very high	19 Å²	19	46.5 Å²	46.5	20%	0.196	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	15.8	177.9	0	0	0	0	0	115.7	P369 F373 A374 D395	P369-G371 PolarHBondContact O-N 3.49Å; G371-F373 PolarHBondContact O-N 2.78Å; G371-F373 VanDerWaalsContact O-N 3.12Å; G371-A374 WeakPolarHBondContact O-CB 3.44Å; G371-A374 PolarHBondContact O-N 3.5Å; G371-D395 PolarHBondContact N-O 3.08Å; G371-D395 VanDerWaalsContact N-O 3.09Å
372	V	95.9	Very high	96.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.2	177.9	65.6	0	0	0	0	112.6	L344 F349 P369 S370	L344-V372 HydrophobicContact CB-CG2 4.41Å; F349-V372 HydrophobicContact CD2-CG2 4.14Å; F349-V372 HydrophobicContact CE2-CG2 4.21Å; P369-V372 HydrophobicContact CB-CB 4.29Å; P369-V372 HydrophobicContact CG-CB 4.42Å; P369-V372 WeakPolarHBondContact O-CB 3.13Å; P369-V372 WeakPolarHBondContact O-CG1 3.1Å; P369-V372 PolarHBondContact O-N 3.19Å; P369-V372 VanDerWaalsContact O-N 3.12Å; S370-V372 PolarHBondContact O-N 3.22Å
373	F	96.6	Very high	96.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-5.1	177.7	-50.5	-62.3	0	0	0	114.2	F349 L358 L360 L368 G371 P375 L376 L382 L384 F397 I400	F349-F373 HydrophobicContact CD2-CD1 4.33Å; F349-F373 HydrophobicContact CE2-CD1 4.19Å; F349-F373 HydrophobicContact CE2-CE1 4.06Å; L358-F373 HydrophobicContact CD2-CD1 3.95Å; L358-F373 HydrophobicContact CD2-CE1 3.72Å; L360-F373 HydrophobicContact CD1-CE1 4.29Å; L368-F373 HydrophobicContact CD1-CE2 4.05Å; L368-F373 HydrophobicContact CD1-CZ 4.31Å; L368-F373 HydrophobicContact CD2-CZ 4.22Å; G371-F373 PolarHBondContact O-N 2.78Å; G371-F373 VanDerWaalsContact O-N 3.12Å; F373-P375 VanDerWaalsContact C-N 3.25Å; F373-P375 VanDerWaalsContact O-N 3.08Å; F373-L376 HydrophobicContact CD1-CD1 4.22Å; F373-L376 VanDerWaalsContact O-CB 3.32Å; F373-L376 WeakPolarHBondContact O-CB 3.38Å; F373-L376 PolarHBondContact O-N 2.77Å; F373-L382 HydrophobicContact CD2-CD2 4.21Å; F373-L382 HydrophobicContact CE1-CD1 4.11Å; F373-L382 HydrophobicContact CE2-CD2 4.03Å; F373-L382 HydrophobicContact CZ-CD1 4.22Å; F373-L382 HydrophobicContact CZ-CD2 4.23Å; F373-L384 HydrophobicContact CZ-CD2 4.4Å; F373-F397 HydrophobicContact CD2-CD1 4.05Å; F373-F397 HydrophobicContact CD2-CE1 4.49Å; F373-F397 HydrophobicContact CE2-CD1 4.2Å; F373-F397 HydrophobicContact CE2-CE1 4.2Å; F373-I400 HydrophobicContact CB-CD1 3.98Å; F373-I400 HydrophobicContact CB-CG1 4.46Å; F373-I400 HydrophobicContact CB-CG2 3.94Å; F373-I400 HydrophobicContact CD2-CD1 4.42Å; F373-I400 HydrophobicContact CG-CD1 4.45Å; F373-I400 WeakPolarHBondContact O-CG2 3.22Å
374	A	95.5	Very high	96.5	Very high	39 Å²	39	40 Å²	40	32%	0.322	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-33.1	-176.1	0	0	0	0	0	114.9	G371 L376 A398	G371-A374 WeakPolarHBondContact O-CB 3.44Å; G371-A374 PolarHBondContact O-N 3.5Å; A374-L376 PolarHBondContact O-N 3.37Å; A374-A398 VanDerWaalsContact CA-O 3.29Å; A374-A398 WeakPolarHBondContact CA-O 3.07Å; A374-A398 VanDerWaalsContact CB-O 3.31Å; A374-A398 WeakPolarHBondContact CB-O 3.21Å
375	P	96.4	Very high	96.5	Very high	30 Å²	30	34.4 Å²	34.4	20%	0.195	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.5	174.6	-22.4	35.1	0	0	0	115.1	R353 F373 V377	R353-P375 HydrophobicContact CG-CB 4.29Å; F373-P375 VanDerWaalsContact C-N 3.25Å; F373-P375 VanDerWaalsContact O-N 3.08Å; P375-V377 PolarHBondContact O-N 3.22Å
376	L	96.7	Very high	96.5	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.225	C	C	.	.			trans	-91.7	59	-168.7	-53.2	-173.7	0	0	0	112.4	F349 S352 I355 L358 F373 A374 N378 L379 I400	F349-L376 HydrophobicContact CB-CD1 4.32Å; F349-L376 HydrophobicContact CB-CD2 3.85Å; F349-L376 HydrophobicContact CB-CG 4.17Å; F349-L376 HydrophobicContact CD2-CD1 4.34Å; F349-L376 HydrophobicContact CG-CD1 4.19Å; F349-L376 HydrophobicContact CG-CD2 4.49Å; S352-L376 WeakPolarHBondContact O-CD2 3.3Å; I355-L376 HydrophobicContact CB-CD1 4.41Å; I355-L376 HydrophobicContact CB-CD2 3.96Å; I355-L376 HydrophobicContact CD1-CD2 4.09Å; I355-L376 HydrophobicContact CG1-CD2 4.34Å; I355-L376 HydrophobicContact CG2-CD1 4.45Å; L358-L376 HydrophobicContact CD2-CD1 3.97Å; F373-L376 HydrophobicContact CD1-CD1 4.22Å; F373-L376 VanDerWaalsContact O-CB 3.32Å; F373-L376 WeakPolarHBondContact O-CB 3.38Å; F373-L376 PolarHBondContact O-N 2.77Å; A374-L376 PolarHBondContact O-N 3.37Å; L376-N378 PolarHBondContact O-N 2.98Å; L376-L379 HydrophobicContact CB-CB 3.96Å; L376-L379 HydrophobicContact CB-CD2 4.42Å; L376-L379 HydrophobicContact CD1-CD1 4.37Å; L376-L379 HydrophobicContact CD1-CD2 4.26Å; L376-L379 WeakPolarHBondContact O-CB 3.33Å; L376-L379 PolarHBondContact O-N 2.97Å; L376-I400 HydrophobicContact CB-CG2 4.33Å; L376-I400 WeakPolarHBondContact O-CG2 3.3Å
377	V	94.4	Very high	96.6	Very high	82 Å²	82	35.2 Å²	35.2	50%	0.497	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.5	-174	-60.9	0	0	0	0	114.7	P375 S402	P375-V377 PolarHBondContact O-N 3.22Å; V377-S402 PolarHBondContact O-OG 3.33Å
378	N	95.9	Very high	96.7	Very high	73 Å²	73	33.3 Å²	33.3	39%	0.39	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	12.4	179.2	-68	-32.2	0	0	0	113.5	I355 R356 L376 S380	I355-N378 CarbonylContact O-C 3.49Å; R356-N378 WeakPolarHBondContact CA-O 3.25Å; R356-N378 HydrophobicContact CG-CB 4.47Å; L376-N378 PolarHBondContact O-N 2.98Å; N378-S380 PolarHBondContact O-N 3.1Å; N378-S380 VanDerWaalsContact O-N 3.16Å
379	L	97.8	Very high	96.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.193	C	C	.	.			trans	-66.3	111.4	-176.8	-172.4	65.8	0	0	0	111.3	I355 L358 L376 L382 I400 S402 V403	I355-L379 HydrophobicContact CG2-CD1 3.97Å; I355-L379 WeakPolarHBondContact O-CA 3.27Å; I355-L379 PolarHBondContact O-N 3Å; L358-L379 HydrophobicContact CB-CD1 3.8Å; L376-L379 HydrophobicContact CB-CB 3.96Å; L376-L379 HydrophobicContact CB-CD2 4.42Å; L376-L379 HydrophobicContact CD1-CD1 4.37Å; L376-L379 HydrophobicContact CD1-CD2 4.26Å; L376-L379 WeakPolarHBondContact O-CB 3.33Å; L376-L379 PolarHBondContact O-N 2.97Å; L379-L382 HydrophobicContact CD2-CB 4.06Å; L379-L382 HydrophobicContact CD2-CD1 4.38Å; L379-L382 HydrophobicContact CD2-CD2 4.22Å; L379-L382 HydrophobicContact CD2-CG 4.45Å; L379-I400 HydrophobicContact CD2-CD1 4.08Å; L379-I400 HydrophobicContact CD2-CG2 4.42Å; L379-S402 PolarHBondContact N-OG 2.9Å; L379-S402 CarbonylContact O-C 3.5Å; L379-S402 VanDerWaalsContact O-O 3.04Å; L379-S402 PolarHBondContact O-OG 3.07Å; L379-V403 HydrophobicContact CB-CG2 4.38Å; L379-V403 HydrophobicContact CD2-CG2 4.17Å; L379-V403 HydrophobicContact CG-CG2 4.17Å; L379-V403 WeakPolarHBondContact O-CA 3.25Å; L379-V403 VanDerWaalsContact O-CG2 3.31Å; L379-V403 WeakPolarHBondContact O-CG2 3.47Å; L379-V403 PolarHBondContact O-N 2.83Å; L379-V403 VanDerWaalsContact O-N 3.1Å
380	S	97.8	Very high	96.9	Very high	35 Å²	35	33.4 Å²	33.4	25%	0.245	20%	0.198	C	C	.	.			trans	-96	-34.5	179.6	175.9	0	0	0	0	112.9	R356 N378 N404 L405	R356-S380 WeakPolarHBondContact O-CA 3.38Å; R356-S380 WeakPolarHBondContact O-CB 3.32Å; R356-S380 PolarHBondContact O-N 3.27Å; N378-S380 PolarHBondContact O-N 3.1Å; N378-S380 VanDerWaalsContact O-N 3.16Å; S380-N404 PolarHBondContact O-N 3.27Å; S380-L405 PolarHBondContact O-N 3.5Å
381	K	98.5	Very high	97.1	Very high	94 Å²	94	30.4 Å²	30.4	41%	0.409	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	121.8	-178.7	-54.3	-173.7	179.9	177	0	110.6	R356 V357 L358 L405	R356-K381 PolarHBondContact O-N 3.37Å; V357-K381 WeakPolarHBondContact CA-O 3.5Å; V357-K381 HydrophobicContact CB-CB 4.48Å; V357-K381 HydrophobicContact CG1-CB 4.22Å; V357-K381 HydrophobicContact CG2-CB 4.18Å; V357-K381 HydrophobicContact CG2-CD 4.13Å; V357-K381 HydrophobicContact CG2-CG 4.25Å; L358-K381 PolarHBondContact N-O 3.42Å; K381-L405 WeakPolarHBondContact CA-O 3.32Å; K381-L405 HydrophobicContact CB-CB 4.36Å; K381-L405 HydrophobicContact CG-CB 4.07Å
382	L	98.4	Very high	97.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	114.3	174.9	-179.6	55.8	0	0	0	109.5	L358 F373 L379 L384 F397 I400 L405 L406 S407	L358-L382 HydrophobicContact CB-CD1 4.12Å; L358-L382 HydrophobicContact CD2-CD1 3.98Å; L358-L382 HydrophobicContact CG-CD1 4.14Å; F373-L382 HydrophobicContact CD2-CD2 4.21Å; F373-L382 HydrophobicContact CE1-CD1 4.11Å; F373-L382 HydrophobicContact CE2-CD2 4.03Å; F373-L382 HydrophobicContact CZ-CD1 4.22Å; F373-L382 HydrophobicContact CZ-CD2 4.23Å; L379-L382 HydrophobicContact CD2-CB 4.06Å; L379-L382 HydrophobicContact CD2-CD1 4.38Å; L379-L382 HydrophobicContact CD2-CD2 4.22Å; L379-L382 HydrophobicContact CD2-CG 4.45Å; L382-L384 HydrophobicContact CD1-CD1 4.33Å; L382-L384 HydrophobicContact CD1-CD2 4.43Å; L382-L384 HydrophobicContact CD1-CG 4.11Å; L382-L384 HydrophobicContact CD2-CD1 3.95Å; L382-L384 HydrophobicContact CG-CD1 3.96Å; L382-L384 HydrophobicContact CG-CG 4.09Å; L382-F397 HydrophobicContact CD2-CD1 4.13Å; L382-F397 HydrophobicContact CD2-CE1 3.83Å; L382-I400 HydrophobicContact CD2-CD1 4.27Å; L382-L405 PolarHBondContact N-O 3.3Å; L382-L406 HydrophobicContact CB-CD1 4.06Å; L382-L406 HydrophobicContact CD2-CD1 3.96Å; L382-L406 HydrophobicContact CG-CD1 4.05Å; L382-S407 PolarHBondContact O-N 3.22Å
383	I	98.7	Very high	97.2	Very high	41 Å²	41	33.8 Å²	33.8	21%	0.21	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	109.4	-177.5	-45.2	176.5	0	0	0	108.5	L358 L360 Q361 L405	L358-I383 PolarHBondContact O-N 2.92Å; L360-I383 CarbonylContact C-O 3.51Å; L360-I383 WeakPolarHBondContact CA-O 3.42Å; L360-I383 PolarHBondContact N-O 3.24Å; Q361-I383 HydrophobicContact CB-CG2 3.96Å; Q361-I383 HydrophobicContact CG-CG2 4.16Å; Q361-I383 PolarHBondContact N-O 3.29Å; I383-L405 HydrophobicContact CG1-CD2 4.33Å
384	L	98.7	Very high	97	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.208	C	C	.	.			trans	-117	9.7	-179.9	-67.8	163.7	0	0	0	111.9	L360 L365 L368 F373 L382 N387 L389 F397 S407 V408 N411	L360-L384 HydrophobicContact CB-CD2 4.01Å; L360-L384 HydrophobicContact CD1-CD2 3.9Å; L365-L384 HydrophobicContact CD1-CD2 4.46Å; L368-L384 HydrophobicContact CD1-CD1 3.89Å; L368-L384 HydrophobicContact CD1-CD2 4.39Å; L368-L384 HydrophobicContact CD2-CD2 4.39Å; F373-L384 HydrophobicContact CZ-CD2 4.4Å; L382-L384 HydrophobicContact CD1-CD1 4.33Å; L382-L384 HydrophobicContact CD1-CD2 4.43Å; L382-L384 HydrophobicContact CD1-CG 4.11Å; L382-L384 HydrophobicContact CD2-CD1 3.95Å; L382-L384 HydrophobicContact CG-CD1 3.96Å; L382-L384 HydrophobicContact CG-CG 4.09Å; L384-N387 PolarHBondContact O-ND2 3.09Å; L384-L389 HydrophobicContact CB-CD1 4.29Å; L384-L389 HydrophobicContact CD1-CD1 4.49Å; L384-F397 HydrophobicContact CD1-CE1 4.12Å; L384-F397 HydrophobicContact CD1-CZ 4.46Å; L384-S407 CarbonylContact C-O 3.18Å; L384-S407 WeakPolarHBondContact CA-O 3.49Å; L384-S407 PolarHBondContact N-O 2.96Å; L384-V408 HydrophobicContact CB-CG1 4.12Å; L384-V408 HydrophobicContact CD1-CG1 4.03Å; L384-N411 PolarHBondContact O-ND2 3.16Å
385	S	98.7	Very high	96.8	Very high	9 Å²	9	39.8 Å²	39.8	6%	0.063	22%	0.215	C	C	.	.			trans	-58.4	157.2	-176.5	-63.1	0	0	0	0	113.7	Q361 R362 N387 S407 S409	Q361-S385 CarbonylContact C-O 3.58Å; Q361-S385 WeakPolarHBondContact CA-O 2.92Å; Q361-S385 WeakPolarHBondContact CB-O 3.32Å; R362-S385 PolarHBondContact N-O 2.97Å; S385-N387 PolarHBondContact O-N 3.45Å; S385-N387 PolarHBondContact O-ND2 3.07Å; S385-S407 PolarHBondContact N-O 3.17Å; S385-S407 WeakPolarHBondContact OG-CB 3.39Å; S385-S407 PolarHBondContact OG-OG 2.8Å; S385-S409 CarbonylContact C-O 3.54Å; S385-S409 WeakPolarHBondContact CA-O 3.45Å; S385-S409 WeakPolarHBondContact CB-O 3.45Å; S385-S409 WeakPolarHBondContact CB-OG 3.42Å; S385-S409 PolarHBondContact OG-OG 3.11Å
386	E	98.7	Very high	96.6	Very high	75 Å²	75	38.8 Å²	38.8	35%	0.35	21%	0.208	S	C	.	.	S	Bend	trans	56.6	50.8	176	-57.1	178.8	-113.5	0	0	111.3	R362 N363 S409 H410	R362-E386 WeakPolarHBondContact CA-O 3.29Å; R362-E386 HydrophobicContact CB-CB 4.45Å; R362-E386 HydrophobicContact CG-CB 3.71Å; R362-E386 VanDerWaalsContact CG-CD 3.46Å; R362-E386 HydrophobicContact CG-CG 4.19Å; R362-E386 WeakPolarHBondContact CG-OE2 2.97Å; R362-E386 IonicContact CZ-OE1 3.53Å; R362-E386 VanDerWaalsContact CZ-OE1 3.28Å; R362-E386 IonicContact CZ-OE2 3.53Å; R362-E386 PolarHBondContact N-O 3.14Å; R362-E386 VanDerWaalsContact N-O 3.13Å; R362-E386 IonicContact NE-OE1 4Å; R362-E386 PolarHBondContact NE-OE1 3.36Å; R362-E386 IonicContact NE-OE2 3.26Å; R362-E386 PolarHBondContact NE-OE2 2.96Å; R362-E386 IonicContact NH2-OE1 3.82Å; R362-E386 PolarHBondContact NH2-OE1 2.93Å; R362-E386 IonicContact NH2-OE2 2.78Å; N363-E386 PolarHBondContact N-O 3.21Å; E386-S409 PolarHBondContact N-O 3.04Å; E386-H410 WeakPolarHBondContact CA-O 3.39Å; E386-H410 HydrophobicContact CB-CB 4.41Å; E386-H410 HydrophobicContact CG-CB 3.76Å; E386-H410 PolarHBondContact N-O 2.93Å; E386-H410 VanDerWaalsContact N-O 3.17Å
387	N	98.7	Very high	96.4	Very high	6 Å²	6	39 Å²	39	3%	0.032	21%	0.21	C	C	.	.	S	Bend	trans	-123.3	-168.4	172.3	-86.7	-77.5	0	0	0	109.4	L360 N363 R364 L365 L384 S385 L389 H410 N411	L360-N387 PolarHBondContact O-ND2 3.03Å; N363-N387 VanDerWaalsContact CA-OD1 3.32Å; N363-N387 WeakPolarHBondContact CA-OD1 3.46Å; N363-N387 WeakPolarHBondContact CB-OD1 2.98Å; N363-N387 PolarHBondContact O-OD1 2.92Å; R364-N387 PolarHBondContact N-OD1 2.88Å; L365-N387 HydrophobicContact CB-CB 4.34Å; L365-N387 WeakPolarHBondContact CB-OD1 3.46Å; L365-N387 WeakPolarHBondContact CG-OD1 3.31Å; L365-N387 PolarHBondContact N-OD1 3.46Å; L384-N387 PolarHBondContact O-ND2 3.09Å; S385-N387 PolarHBondContact O-N 3.45Å; S385-N387 PolarHBondContact O-ND2 3.07Å; N387-L389 HydrophobicContact CB-CG 4.33Å; N387-H410 PolarHBondContact N-O 2.69Å; N387-N411 VanDerWaalsContact CA-OD1 3.3Å; N387-N411 WeakPolarHBondContact CA-OD1 3.43Å; N387-N411 WeakPolarHBondContact CB-OD1 3.42Å; N387-N411 PolarHBondContact N-OD1 2.84Å; N387-N411 PolarHBondContact O-OD1 3.29Å
388	N	98.3	Very high	96.3	Very high	49 Å²	49	36.5 Å²	36.5	26%	0.262	20%	0.197	S	C	.	.			trans	-114.8	27.4	178.9	-69.2	-32	0	0	0	112.3	L365 T366 T390 N411 R412	L365-N388 CarbonylContact O-C 3.09Å; L365-N388 VanDerWaalsContact O-CA 3.24Å; L365-N388 WeakPolarHBondContact O-CA 3.26Å; L365-N388 WeakPolarHBondContact O-CB 3.41Å; L365-N388 PolarHBondContact O-N 2.84Å; T366-N388 HydrophobicContact CG2-CB 4.18Å; N388-T390 PolarHBondContact O-N 3.49Å; N388-N411 PolarHBondContact N-OD1 3.11Å; N388-R412 PolarHBondContact OD1-NE 3.41Å; N388-R412 PolarHBondContact OD1-NH2 3.14Å
389	L	98.3	Very high	96.1	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	20%	0.201	C	C	.	.			trans	-62.4	134.2	-176.9	-61.7	175.4	0	0	0	110.9	L365 T366 L368 L384 N387 N411 R412 L413	L365-L389 HydrophobicContact CB-CD2 4.13Å; L365-L389 PolarHBondContact O-N 3.37Å; T366-L389 WeakPolarHBondContact O-CA 3.48Å; L368-L389 HydrophobicContact CD1-CD1 4.03Å; L368-L389 HydrophobicContact CD1-CD2 4.24Å; L368-L389 HydrophobicContact CD2-CD2 4.43Å; L368-L389 HydrophobicContact CG-CD2 3.86Å; L384-L389 HydrophobicContact CB-CD1 4.29Å; L384-L389 HydrophobicContact CD1-CD1 4.49Å; N387-L389 HydrophobicContact CB-CG 4.33Å; L389-N411 HydrophobicContact CB-CB 4.28Å; L389-N411 VanDerWaalsContact CB-OD1 3.3Å; L389-N411 WeakPolarHBondContact CB-OD1 3.48Å; L389-N411 WeakPolarHBondContact CG-OD1 3.46Å; L389-N411 PolarHBondContact N-OD1 3.13Å; L389-R412 CarbonylContact O-C 3.12Å; L389-R412 VanDerWaalsContact O-CA 3.23Å; L389-R412 WeakPolarHBondContact O-CA 3.25Å; L389-R412 WeakPolarHBondContact O-CB 3.43Å; L389-R412 PolarHBondContact O-N 3.22Å; L389-L413 HydrophobicContact CB-CD2 3.83Å; L389-L413 PolarHBondContact O-N 3.41Å; L389-L413 VanDerWaalsContact O-N 3.11Å
390	T	97.6	Very high	95.8	Very high	59 Å²	59	35.2 Å²	35.2	36%	0.362	20%	0.201	S	C	.	.			trans	-106.7	-26.6	-175.8	66.6	0	0	0	0	114.7	T366 N388 R412 L413 R414	T366-T390 PolarHBondContact O-N 3.46Å; N388-T390 PolarHBondContact O-N 3.49Å; T390-R412 HydrophobicContact CG2-CB 4.48Å; T390-L413 CarbonylContact O-C 3.01Å; T390-L413 WeakPolarHBondContact O-CA 3.22Å; T390-R414 PolarHBondContact O-N 2.8Å
391	S	96.5	Very high	95.5	Very high	27 Å²	27	37.1 Å²	37.1	19%	0.189	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	161.5	172.9	63.6	0	0	0	0	111.4	D393 T415	S391-D393 PolarHBondContact OG-OD1 2.98Å; S391-D393 VanDerWaalsContact OG-OD1 3.13Å; S391-T415 WeakPolarHBondContact CA-O 3.41Å; S391-T415 WeakPolarHBondContact CB-OG1 3.28Å
392	L	95	Very high	95.3	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	109.2	164.3	-58.3	177.2	0	0	0	107.7	T396 F397 V408 L413 T415 V416 H417 A420	L392-T396 HydrophobicContact CD2-CG2 4.2Å; L392-F397 HydrophobicContact CD1-CE2 3.97Å; L392-F397 HydrophobicContact CD1-CZ 4.22Å; L392-F397 HydrophobicContact CD2-CE2 4.23Å; L392-F397 HydrophobicContact CD2-CZ 3.97Å; L392-F397 HydrophobicContact CG-CE2 4.47Å; L392-V408 HydrophobicContact CD1-CG1 4.32Å; L392-V408 HydrophobicContact CD1-CG2 4.29Å; L392-L413 HydrophobicContact CD1-CD1 3.86Å; L392-L413 HydrophobicContact CD2-CD2 4.1Å; L392-L413 HydrophobicContact CG-CD1 4.04Å; L392-L413 HydrophobicContact CG-CD2 3.82Å; L392-T415 PolarHBondContact N-O 2.82Å; L392-T415 VanDerWaalsContact N-O 3.13Å; L392-V416 HydrophobicContact CD1-CG2 4.21Å; L392-H417 VanDerWaalsContact O-CB 3.28Å; L392-H417 WeakPolarHBondContact O-CB 3.21Å; L392-H417 PolarHBondContact O-N 2.9Å; L392-A420 HydrophobicContact CB-CB 4.32Å
393	D	93.7	Very high	95.1	Very high	87 Å²	87	33.6 Å²	33.6	47%	0.465	20%	0.198	S	C	.	.			trans	-88.6	174.5	-174.7	-59.2	-28.1	0	0	0	111.5	S391 D395 T396 A420	S391-D393 PolarHBondContact OG-OD1 2.98Å; S391-D393 VanDerWaalsContact OG-OD1 3.13Å; D393-D395 VanDerWaalsContact C-N 3.28Å; D393-D395 PolarHBondContact O-N 2.87Å; D393-T396 PolarHBondContact N-OG1 2.02Å; D393-T396 PolarHBondContact O-N 3.15Å; D393-T396 PolarHBondContact O-OG1 3.01Å; D393-A420 WeakPolarHBondContact O-CB 3.32Å
394	E	92.2	Very high	95	Very high	77 Å²	77	33.1 Å²	33.1	36%	0.36	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-43.5	-177.3	-172.9	160.3	-175.8	0	0	112.9	H417 R419	E394-H417 IonicContact OE2-CE1 2.77Å; E394-H417 PolarHBondContact OE2-CE1 2.97Å; E394-H417 VanDerWaalsContact OE2-CE1 3.26Å; E394-H417 IonicContact OE2-ND1 3.75Å; E394-R419 HydrophobicContact CG-CB 3.93Å; E394-R419 WeakPolarHBondContact OE1-CD 3.4Å; E394-R419 IonicContact OE1-CZ 2.87Å; E394-R419 IonicContact OE1-NE 3.37Å; E394-R419 IonicContact OE1-NH1 3.69Å; E394-R419 PolarHBondContact OE1-NH1 3.27Å; E394-R419 IonicContact OE2-NH1 3.97Å
395	D	91.3	Very high	95	Very high	89 Å²	89	34.5 Å²	34.5	48%	0.476	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	5.6	-172.3	-60.3	-43.6	0	0	0	114	G371 D393 F397 A398	G371-D395 PolarHBondContact N-O 3.08Å; G371-D395 VanDerWaalsContact N-O 3.09Å; D393-D395 VanDerWaalsContact C-N 3.28Å; D393-D395 PolarHBondContact O-N 2.87Å; D395-F397 VanDerWaalsContact C-N 3.26Å; D395-F397 PolarHBondContact O-N 2.84Å; D395-A398 HydrophobicContact CB-CB 4.27Å; D395-A398 WeakPolarHBondContact O-CB 3.35Å; D395-A398 PolarHBondContact O-N 3.35Å
396	T	91.7	Very high	94.9	Very high	8 Å²	8	34.1 Å²	34.1	5%	0.049	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-41.2	-178.8	-63.5	0	0	0	0	111.6	L368 L392 D393	L368-T396 HydrophobicContact CB-CG2 4.09Å; L368-T396 HydrophobicContact CD1-CG2 3.85Å; L392-T396 HydrophobicContact CD2-CG2 4.2Å; D393-T396 PolarHBondContact N-OG1 2.02Å; D393-T396 PolarHBondContact O-N 3.15Å; D393-T396 PolarHBondContact O-OG1 3.01Å
397	F	94	Very high	94.9	Very high	6 Å²	6	31.1 Å²	31.1	3%	0.026	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	23.5	179	-55.2	-56.9	0	0	0	112.7	F373 L382 L384 L392 D395 G399 I400 L406 A420 L421 F424	F373-F397 HydrophobicContact CD2-CD1 4.05Å; F373-F397 HydrophobicContact CD2-CE1 4.49Å; F373-F397 HydrophobicContact CE2-CD1 4.2Å; F373-F397 HydrophobicContact CE2-CE1 4.2Å; L382-F397 HydrophobicContact CD2-CD1 4.13Å; L382-F397 HydrophobicContact CD2-CE1 3.83Å; L384-F397 HydrophobicContact CD1-CE1 4.12Å; L384-F397 HydrophobicContact CD1-CZ 4.46Å; L392-F397 HydrophobicContact CD1-CE2 3.97Å; L392-F397 HydrophobicContact CD1-CZ 4.22Å; L392-F397 HydrophobicContact CD2-CE2 4.23Å; L392-F397 HydrophobicContact CD2-CZ 3.97Å; L392-F397 HydrophobicContact CG-CE2 4.47Å; D395-F397 VanDerWaalsContact C-N 3.26Å; D395-F397 PolarHBondContact O-N 2.84Å; F397-G399 PolarHBondContact O-N 2.9Å; F397-I400 HydrophobicContact CB-CD1 3.99Å; F397-I400 HydrophobicContact CB-CG1 3.96Å; F397-I400 HydrophobicContact CD1-CD1 4Å; F397-I400 HydrophobicContact CG-CD1 4.37Å; F397-I400 WeakPolarHBondContact O-CG1 3.49Å; F397-I400 PolarHBondContact O-N 3.29Å; F397-L406 HydrophobicContact CE1-CD1 4.33Å; F397-L406 HydrophobicContact CE2-CD2 4.14Å; F397-L406 HydrophobicContact CZ-CD1 4.2Å; F397-L406 HydrophobicContact CZ-CD2 4.18Å; F397-A420 WeakPolarHBondContact CD2-O 3.24Å; F397-L421 HydrophobicContact CD2-CD2 4.2Å; F397-L421 HydrophobicContact CE2-CD2 4.07Å; F397-F424 HydrophobicContact CB-CE2 4.08Å; F397-F424 HydrophobicContact CB-CZ 3.62Å; F397-F424 HydrophobicContact CD1-CZ 4.24Å; F397-F424 AromaticContact CD2-CE2 3.77Å; F397-F424 HydrophobicContact CD2-CE2 3.77Å; F397-F424 HydrophobicContact CD2-CZ 4.06Å; F397-F424 HydrophobicContact CE2-CE2 4.37Å; F397-F424 AromaticContact CG-CE2 3.94Å; F397-F424 HydrophobicContact CG-CE2 3.94Å; F397-F424 AromaticContact CG-CZ 3.72Å; F397-F424 HydrophobicContact CG-CZ 3.72Å
398	A	92.1	Very high	94.8	Very high	29 Å²	29	30.8 Å²	30.8	24%	0.24	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	132.4	177.3	0	0	0	0	0	111.1	A374 D395	A374-A398 VanDerWaalsContact CA-O 3.29Å; A374-A398 WeakPolarHBondContact CA-O 3.07Å; A374-A398 VanDerWaalsContact CB-O 3.31Å; A374-A398 WeakPolarHBondContact CB-O 3.21Å; D395-A398 HydrophobicContact CB-CB 4.27Å; D395-A398 WeakPolarHBondContact O-CB 3.35Å; D395-A398 PolarHBondContact O-N 3.35Å
399	G	90.4	Very high	94.9	Very high	45 Å²	45	28.9 Å²	28.9	46%	0.464	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	90	-9.9	175.7	0	0	0	0	0	116.4	F397	F397-G399 PolarHBondContact O-N 2.9Å
400	I	93.4	Very high	94.9	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	19%	0.194	C	C	.	.			trans	-106.1	125.5	176.6	53.9	168.9	0	0	0	111.7	F373 L376 L379 L382 F397 V403 F424	F373-I400 HydrophobicContact CB-CD1 3.98Å; F373-I400 HydrophobicContact CB-CG1 4.46Å; F373-I400 HydrophobicContact CB-CG2 3.94Å; F373-I400 HydrophobicContact CD2-CD1 4.42Å; F373-I400 HydrophobicContact CG-CD1 4.45Å; F373-I400 WeakPolarHBondContact O-CG2 3.22Å; L376-I400 HydrophobicContact CB-CG2 4.33Å; L376-I400 WeakPolarHBondContact O-CG2 3.3Å; L379-I400 HydrophobicContact CD2-CD1 4.08Å; L379-I400 HydrophobicContact CD2-CG2 4.42Å; L382-I400 HydrophobicContact CD2-CD1 4.27Å; F397-I400 HydrophobicContact CB-CD1 3.99Å; F397-I400 HydrophobicContact CB-CG1 3.96Å; F397-I400 HydrophobicContact CD1-CD1 4Å; F397-I400 HydrophobicContact CG-CD1 4.37Å; F397-I400 WeakPolarHBondContact O-CG1 3.49Å; F397-I400 PolarHBondContact O-N 3.29Å; I400-V403 HydrophobicContact CB-CG2 4.47Å; I400-V403 HydrophobicContact CD1-CG2 3.97Å; I400-F424 HydrophobicContact CB-CE1 4.46Å; I400-F424 HydrophobicContact CD1-CE1 3.88Å; I400-F424 HydrophobicContact CD1-CZ 3.82Å; I400-F424 HydrophobicContact CG1-CE1 3.81Å; I400-F424 HydrophobicContact CG1-CZ 4.07Å; I400-F424 WeakPolarHBondContact O-CE1 3.44Å
401	T	90.6	Very high	94.9	Very high	74 Å²	74	30.1 Å²	30.1	45%	0.454	18%	0.179	S	C	.	.			trans	-125.4	-15.6	-178.7	53.8	0	0	0	0	113	N423	T401-N423 HydrophobicContact CG2-CB 4.12Å
402	S	93.6	Very high	95	Very high	20 Å²	20	35.6 Å²	35.6	14%	0.14	20%	0.195	C	C	.	.			trans	-92	8.5	-170.7	50.5	0	0	0	0	114.5	V377 L379 N404	V377-S402 PolarHBondContact O-OG 3.33Å; L379-S402 PolarHBondContact N-OG 2.9Å; L379-S402 CarbonylContact O-C 3.5Å; L379-S402 VanDerWaalsContact O-O 3.04Å; L379-S402 PolarHBondContact O-OG 3.07Å; S402-N404 PolarHBondContact O-N 3.06Å; S402-N404 PolarHBondContact O-OD1 3.16Å
403	V	95.8	Very high	95.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.194	C	C	.	.			trans	-75	121.1	-176.7	-179.3	0	0	0	0	109.9	L379 I400 L405 L406 F424 M426 L427	L379-V403 HydrophobicContact CB-CG2 4.38Å; L379-V403 HydrophobicContact CD2-CG2 4.17Å; L379-V403 HydrophobicContact CG-CG2 4.17Å; L379-V403 WeakPolarHBondContact O-CA 3.25Å; L379-V403 VanDerWaalsContact O-CG2 3.31Å; L379-V403 WeakPolarHBondContact O-CG2 3.47Å; L379-V403 PolarHBondContact O-N 2.83Å; L379-V403 VanDerWaalsContact O-N 3.1Å; I400-V403 HydrophobicContact CB-CG2 4.47Å; I400-V403 HydrophobicContact CD1-CG2 3.97Å; V403-L405 VanDerWaalsContact CG1-O 3.3Å; V403-L405 WeakPolarHBondContact CG1-O 3.19Å; V403-L406 HydrophobicContact CG1-CB 4.13Å; V403-F424 HydrophobicContact CB-CD1 3.87Å; V403-F424 HydrophobicContact CB-CE1 3.7Å; V403-F424 HydrophobicContact CB-CZ 4.42Å; V403-F424 HydrophobicContact CG2-CD1 4.23Å; V403-F424 HydrophobicContact CG2-CE1 3.59Å; V403-F424 HydrophobicContact CG2-CZ 4.26Å; V403-M426 CarbonylContact O-C 3.03Å; V403-L427 HydrophobicContact CB-CD1 4.44Å; V403-L427 HydrophobicContact CG1-CD1 3.89Å; V403-L427 WeakPolarHBondContact O-CA 3.09Å; V403-L427 WeakPolarHBondContact O-CD1 3.36Å; V403-L427 PolarHBondContact O-N 3.06Å
404	N	95.9	Very high	95.3	Very high	31 Å²	31	40 Å²	40	17%	0.166	21%	0.205	C	C	.	.	S	Bend	trans	-98.5	-28.6	174.2	-61	28.3	0	0	0	111.3	S380 S402 M426 E428 K429	S380-N404 PolarHBondContact O-N 3.27Å; S402-N404 PolarHBondContact O-N 3.06Å; S402-N404 PolarHBondContact O-OD1 3.16Å; N404-M426 WeakPolarHBondContact CA-O 3.45Å; N404-E428 HydrophobicContact CB-CB 4.39Å; N404-E428 HydrophobicContact CB-CG 4.25Å; N404-E428 PolarHBondContact ND2-OE1 2.9Å; N404-E428 WeakPolarHBondContact O-CA 3.41Å; N404-E428 WeakPolarHBondContact O-CB 3.45Å; N404-E428 PolarHBondContact O-N 2.96Å; N404-K429 PolarHBondContact O-N 2.79Å
405	L	97.7	Very high	95.4	Very high	30 Å²	30	39.9 Å²	39.9	16%	0.157	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	115.3	176.5	-173.2	164.2	0	0	0	109.7	S380 K381 L382 I383 V403 K429	S380-L405 PolarHBondContact O-N 3.5Å; K381-L405 WeakPolarHBondContact CA-O 3.32Å; K381-L405 HydrophobicContact CB-CB 4.36Å; K381-L405 HydrophobicContact CG-CB 4.07Å; L382-L405 PolarHBondContact N-O 3.3Å; I383-L405 HydrophobicContact CG1-CD2 4.33Å; V403-L405 VanDerWaalsContact CG1-O 3.3Å; V403-L405 WeakPolarHBondContact CG1-O 3.19Å; L405-K429 WeakPolarHBondContact CA-O 3.22Å; L405-K429 HydrophobicContact CB-CB 4.43Å; L405-K429 HydrophobicContact CD1-CD 4.14Å; L405-K429 HydrophobicContact CG-CB 4.1Å
406	L	97.4	Very high	95.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.5	170	179.3	61.3	0	0	0	109.3	L382 F397 V403 V408 L421 F424 L427 K429 L430 Y431	L382-L406 HydrophobicContact CB-CD1 4.06Å; L382-L406 HydrophobicContact CD2-CD1 3.96Å; L382-L406 HydrophobicContact CG-CD1 4.05Å; F397-L406 HydrophobicContact CE1-CD1 4.33Å; F397-L406 HydrophobicContact CE2-CD2 4.14Å; F397-L406 HydrophobicContact CZ-CD1 4.2Å; F397-L406 HydrophobicContact CZ-CD2 4.18Å; V403-L406 HydrophobicContact CG1-CB 4.13Å; L406-V408 HydrophobicContact CD1-CG1 4.08Å; L406-V408 HydrophobicContact CG-CG1 4.32Å; L406-L421 HydrophobicContact CD2-CD2 3.75Å; L406-F424 HydrophobicContact CD2-CD2 4.33Å; L406-F424 HydrophobicContact CD2-CE2 3.77Å; L406-L427 HydrophobicContact CB-CD1 3.82Å; L406-K429 PolarHBondContact N-O 2.49Å; L406-L430 HydrophobicContact CB-CD1 4.12Å; L406-L430 HydrophobicContact CD2-CD1 4.02Å; L406-L430 HydrophobicContact CG-CD1 4.14Å; L406-L430 WeakPolarHBondContact O-CA 3.16Å; L406-Y431 PolarHBondContact O-N 2.76Å
407	S	98.3	Very high	95.7	Very high	12 Å²	12	38.8 Å²	38.8	8%	0.084	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	112.4	176.4	-165.9	0	0	0	0	109.8	L382 L384 S385 S409	L382-S407 PolarHBondContact O-N 3.22Å; L384-S407 CarbonylContact C-O 3.18Å; L384-S407 WeakPolarHBondContact CA-O 3.49Å; L384-S407 PolarHBondContact N-O 2.96Å; S385-S407 PolarHBondContact N-O 3.17Å; S385-S407 WeakPolarHBondContact OG-CB 3.39Å; S385-S407 PolarHBondContact OG-OG 2.8Å; S407-S409 PolarHBondContact OG-OG 2.95Å
408	V	98	Very high	95.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.225	C	C	.	.			trans	-122.4	21	175.4	-67.6	0	0	0	0	110.6	L384 L392 L406 N411 L413 Y431 L432 N435	L384-V408 HydrophobicContact CB-CG1 4.12Å; L384-V408 HydrophobicContact CD1-CG1 4.03Å; L392-V408 HydrophobicContact CD1-CG1 4.32Å; L392-V408 HydrophobicContact CD1-CG2 4.29Å; L406-V408 HydrophobicContact CD1-CG1 4.08Å; L406-V408 HydrophobicContact CG-CG1 4.32Å; V408-N411 PolarHBondContact O-ND2 3.1Å; V408-L413 HydrophobicContact CB-CD1 4.1Å; V408-L413 HydrophobicContact CG2-CD1 3.94Å; V408-Y431 CarbonylContact C-O 3.26Å; V408-Y431 WeakPolarHBondContact CG2-O 3.49Å; V408-Y431 PolarHBondContact N-O 3.02Å; V408-L432 HydrophobicContact CG2-CD2 3.42Å; V408-L432 VanDerWaalsContact CG2-CD2 3.42Å; V408-L432 HydrophobicContact CG2-CG 4.3Å; V408-N435 PolarHBondContact O-ND2 2.98Å
409	S	98.4	Very high	95.4	Very high	8 Å²	8	49.1 Å²	49.1	6%	0.056	23%	0.234	C	C	.	.			trans	-65.2	161.9	179	56.4	0	0	0	0	113.5	S385 E386 S407 N411 Y431 N433	S385-S409 CarbonylContact C-O 3.54Å; S385-S409 WeakPolarHBondContact CA-O 3.45Å; S385-S409 WeakPolarHBondContact CB-O 3.45Å; S385-S409 WeakPolarHBondContact CB-OG 3.42Å; S385-S409 PolarHBondContact OG-OG 3.11Å; E386-S409 PolarHBondContact N-O 3.04Å; S407-S409 PolarHBondContact OG-OG 2.95Å; S409-N411 VanDerWaalsContact C-N 3.32Å; S409-N411 PolarHBondContact O-N 2.75Å; S409-N411 PolarHBondContact O-ND2 3.05Å; S409-N411 VanDerWaalsContact O-ND2 3.13Å; S409-Y431 PolarHBondContact N-O 3.06Å; S409-N433 CarbonylContact C-O 3.01Å; S409-N433 WeakPolarHBondContact CA-O 3.42Å; S409-N433 VanDerWaalsContact CB-O 3.24Å; S409-N433 WeakPolarHBondContact CB-O 3.11Å; S409-N433 WeakPolarHBondContact CB-OD1 3.46Å
410	H	98.6	Very high	95.5	Very high	78 Å²	78	47.3 Å²	47.3	36%	0.361	22%	0.215	S	C	.	.	S	Bend	trans	52.4	50.8	-179.2	-54.7	-83.6	0	0	0	111.7	E386 N387 N433 D434	E386-H410 WeakPolarHBondContact CA-O 3.39Å; E386-H410 HydrophobicContact CB-CB 4.41Å; E386-H410 HydrophobicContact CG-CB 3.76Å; E386-H410 PolarHBondContact N-O 2.93Å; E386-H410 VanDerWaalsContact N-O 3.17Å; N387-H410 PolarHBondContact N-O 2.69Å; H410-N433 PolarHBondContact N-O 3.15Å; H410-D434 CarbonylContact C-O 3.51Å; H410-D434 WeakPolarHBondContact CA-O 3.36Å; H410-D434 HydrophobicContact CB-CB 4.46Å; H410-D434 IonicContact CE1-OD2 2.76Å; H410-D434 PolarHBondContact CE1-OD2 3.1Å; H410-D434 IonicContact CG-OD2 3.42Å; H410-D434 PolarHBondContact N-O 3.03Å; H410-D434 WeakPolarHBondContact ND1-CB 3.47Å; H410-D434 VanDerWaalsContact ND1-CG 3.27Å; H410-D434 IonicContact ND1-OD2 3.67Å; H410-D434 PolarHBondContact ND1-OD2 3.35Å
411	N	98.7	Very high	95.4	Very high	9 Å²	9	47.3 Å²	47.3	5%	0.048	22%	0.215	C	C	.	.	S	Bend	trans	-122.8	-163.5	175.2	-88.7	-83.5	0	0	0	109.1	L384 N387 N388 L389 V408 S409 L413 D434 N435	L384-N411 PolarHBondContact O-ND2 3.16Å; N387-N411 VanDerWaalsContact CA-OD1 3.3Å; N387-N411 WeakPolarHBondContact CA-OD1 3.43Å; N387-N411 WeakPolarHBondContact CB-OD1 3.42Å; N387-N411 PolarHBondContact N-OD1 2.84Å; N387-N411 PolarHBondContact O-OD1 3.29Å; N388-N411 PolarHBondContact N-OD1 3.11Å; L389-N411 HydrophobicContact CB-CB 4.28Å; L389-N411 VanDerWaalsContact CB-OD1 3.3Å; L389-N411 WeakPolarHBondContact CB-OD1 3.48Å; L389-N411 WeakPolarHBondContact CG-OD1 3.46Å; L389-N411 PolarHBondContact N-OD1 3.13Å; V408-N411 PolarHBondContact O-ND2 3.1Å; S409-N411 VanDerWaalsContact C-N 3.32Å; S409-N411 PolarHBondContact O-N 2.75Å; S409-N411 PolarHBondContact O-ND2 3.05Å; S409-N411 VanDerWaalsContact O-ND2 3.13Å; N411-L413 HydrophobicContact CB-CG 4.18Å; N411-D434 PolarHBondContact N-O 3.47Å; N411-N435 VanDerWaalsContact CA-OD1 3.3Å; N411-N435 WeakPolarHBondContact CA-OD1 3.19Å; N411-N435 WeakPolarHBondContact CB-OD1 3.28Å; N411-N435 PolarHBondContact N-OD1 3.22Å; N411-N435 PolarHBondContact O-OD1 2.99Å
412	R	98.1	Very high	95.1	Very high	141 Å²	141	45.6 Å²	45.6	53%	0.532	20%	0.204	S	C	.	.			trans	-120.4	29.5	178.8	-57.6	-178.9	-172.5	-169	-0.8	111.2	N388 L389 T390 R414 N435	N388-R412 PolarHBondContact OD1-NE 3.41Å; N388-R412 PolarHBondContact OD1-NH2 3.14Å; L389-R412 CarbonylContact O-C 3.12Å; L389-R412 VanDerWaalsContact O-CA 3.23Å; L389-R412 WeakPolarHBondContact O-CA 3.25Å; L389-R412 WeakPolarHBondContact O-CB 3.43Å; L389-R412 PolarHBondContact O-N 3.22Å; T390-R412 HydrophobicContact CG2-CB 4.48Å; R412-R414 PolarHBondContact O-N 3.04Å; R412-R414 VanDerWaalsContact O-N 3.16Å; R412-N435 PolarHBondContact N-OD1 3.25Å
413	L	98.1	Very high	94.7	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.216	C	C	.	.			trans	-63.5	117.8	-172.7	-65.1	176.4	0	0	0	109.8	L389 T390 L392 V408 N411 L432 N435 Q436 L437	L389-L413 HydrophobicContact CB-CD2 3.83Å; L389-L413 PolarHBondContact O-N 3.41Å; L389-L413 VanDerWaalsContact O-N 3.11Å; T390-L413 CarbonylContact O-C 3.01Å; T390-L413 WeakPolarHBondContact O-CA 3.22Å; L392-L413 HydrophobicContact CD1-CD1 3.86Å; L392-L413 HydrophobicContact CD2-CD2 4.1Å; L392-L413 HydrophobicContact CG-CD1 4.04Å; L392-L413 HydrophobicContact CG-CD2 3.82Å; V408-L413 HydrophobicContact CB-CD1 4.1Å; V408-L413 HydrophobicContact CG2-CD1 3.94Å; N411-L413 HydrophobicContact CB-CG 4.18Å; L413-L432 HydrophobicContact CD1-CD2 4.47Å; L413-N435 HydrophobicContact CB-CB 4.16Å; L413-N435 VanDerWaalsContact CB-OD1 3.25Å; L413-N435 WeakPolarHBondContact CB-OD1 3.04Å; L413-N435 VanDerWaalsContact CG-OD1 3.27Å; L413-N435 WeakPolarHBondContact CG-OD1 3Å; L413-N435 PolarHBondContact N-OD1 3.32Å; L413-Q436 CarbonylContact O-C 3.56Å; L413-Q436 WeakPolarHBondContact O-CA 3.23Å; L413-Q436 WeakPolarHBondContact O-CB 3.26Å; L413-Q436 PolarHBondContact O-N 2.77Å; L413-L437 HydrophobicContact CB-CD2 4.01Å; L413-L437 HydrophobicContact CB-CG 4.4Å; L413-L437 WeakPolarHBondContact O-CD2 3.27Å; L413-L437 PolarHBondContact O-N 3.33Å; L413-L437 VanDerWaalsContact O-N 3.09Å
414	R	96.8	Very high	94.4	Very high	183 Å²	183	48.1 Å²	48.1	69%	0.691	22%	0.216	S	C	*	.			trans	-93.7	-29.1	172	-64.6	-178.4	180	-178.8	-1.6	111.8	T390 R412 Q436	T390-R414 PolarHBondContact O-N 2.8Å; R412-R414 PolarHBondContact O-N 3.04Å; R412-R414 VanDerWaalsContact O-N 3.16Å; R414-Q436 HydrophobicContact CG-CB 4.1Å
415	T	94.5	Very high	94	Very high	74 Å²	74	51.8 Å²	51.8	45%	0.454	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	143.4	-176.8	58.3	0	0	0	0	111.2	S391 L392	S391-T415 WeakPolarHBondContact CA-O 3.41Å; S391-T415 WeakPolarHBondContact CB-OG1 3.28Å; L392-T415 PolarHBondContact N-O 2.82Å; L392-T415 VanDerWaalsContact N-O 3.13Å
416	V	94.6	Very high	93.6	Very high	14 Å²	14	54.9 Å²	54.9	9%	0.085	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	115.8	165.1	176.4	0	0	0	0	105.6	L392 A420 L421 L432 L437 L440	L392-V416 HydrophobicContact CD1-CG2 4.21Å; V416-A420 HydrophobicContact CG1-CB 4.22Å; V416-L421 HydrophobicContact CG1-CD1 4.41Å; V416-L421 HydrophobicContact CG1-CG 4.43Å; V416-L432 HydrophobicContact CG2-CD2 4.38Å; V416-L437 HydrophobicContact CG2-CD1 4.35Å; V416-L437 HydrophobicContact CG2-CD2 3.85Å; V416-L440 HydrophobicContact CB-CD1 3.82Å; V416-L440 HydrophobicContact CG1-CD1 4.14Å; V416-L440 HydrophobicContact CG2-CD1 4.31Å
417	H	93.9	Very high	93.5	Very high	59 Å²	59	54.9 Å²	54.9	27%	0.273	25%	0.247	S	C	.	.			trans	-61.1	142.8	-179.4	-172.3	-97.9	0	0	0	110.2	L392 E394 R419 A420	L392-H417 VanDerWaalsContact O-CB 3.28Å; L392-H417 WeakPolarHBondContact O-CB 3.21Å; L392-H417 PolarHBondContact O-N 2.9Å; E394-H417 IonicContact OE2-CE1 2.77Å; E394-H417 PolarHBondContact OE2-CE1 2.97Å; E394-H417 VanDerWaalsContact OE2-CE1 3.26Å; E394-H417 IonicContact OE2-ND1 3.75Å; H417-R419 PolarHBondContact ND1-N 2.95Å; H417-R419 PolarHBondContact O-N 2.79Å; H417-A420 HydrophobicContact CB-CB 4.31Å; H417-A420 WeakPolarHBondContact O-CB 3.26Å; H417-A420 PolarHBondContact O-N 2.89Å
418	R	90.9	Very high	93.3	Very high	134 Å²	134	57.4 Å²	57.4	51%	0.506	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-23.9	-174.5	61.2	175.1	177.4	-152.2	-4.1	115.4	S441 E443 S444	R418-S441 VanDerWaalsContact CA-OG 3.24Å; R418-S441 WeakPolarHBondContact CA-OG 3.02Å; R418-S441 WeakPolarHBondContact CB-OG 3.34Å; R418-E443 HydrophobicContact CB-CB 4.4Å; R418-S444 WeakPolarHBondContact CA-OG 3.07Å
419	R	90.6	Very high	93.3	Very high	119 Å²	119	60.1 Å²	60.1	45%	0.449	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-0.6	179.1	-73.6	173.9	-173.9	167.2	0.2	114.4	E394 H417 L421 V422	E394-R419 HydrophobicContact CG-CB 3.93Å; E394-R419 WeakPolarHBondContact OE1-CD 3.4Å; E394-R419 IonicContact OE1-CZ 2.87Å; E394-R419 IonicContact OE1-NE 3.37Å; E394-R419 IonicContact OE1-NH1 3.69Å; E394-R419 PolarHBondContact OE1-NH1 3.27Å; E394-R419 IonicContact OE2-NH1 3.97Å; H417-R419 PolarHBondContact ND1-N 2.95Å; H417-R419 PolarHBondContact O-N 2.79Å; R419-L421 PolarHBondContact O-N 2.75Å; R419-V422 HydrophobicContact CB-CB 4.48Å; R419-V422 HydrophobicContact CB-CG1 4.47Å; R419-V422 WeakPolarHBondContact O-CB 3.4Å; R419-V422 WeakPolarHBondContact O-CG1 3.47Å; R419-V422 PolarHBondContact O-N 2.95Å
420	A	91.6	Very high	93.2	Very high	6 Å²	6	59.8 Å²	59.8	5%	0.05	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-34.1	-176.7	0	0	0	0	0	112.6	L392 D393 F397 V416 H417	L392-A420 HydrophobicContact CB-CB 4.32Å; D393-A420 WeakPolarHBondContact O-CB 3.32Å; F397-A420 WeakPolarHBondContact CD2-O 3.24Å; V416-A420 HydrophobicContact CG1-CB 4.22Å; H417-A420 HydrophobicContact CB-CB 4.31Å; H417-A420 WeakPolarHBondContact O-CB 3.26Å; H417-A420 PolarHBondContact O-N 2.89Å
421	L	90.7	Very high	93.1	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.01	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	6.2	-177.3	-53.1	179.5	0	0	0	113.8	F397 L406 V416 R419 N423 F424 L430 V448	F397-L421 HydrophobicContact CD2-CD2 4.2Å; F397-L421 HydrophobicContact CE2-CD2 4.07Å; L406-L421 HydrophobicContact CD2-CD2 3.75Å; V416-L421 HydrophobicContact CG1-CD1 4.41Å; V416-L421 HydrophobicContact CG1-CG 4.43Å; R419-L421 PolarHBondContact O-N 2.75Å; L421-N423 PolarHBondContact O-N 2.9Å; L421-F424 HydrophobicContact CB-CD2 4.19Å; L421-F424 HydrophobicContact CD2-CD2 3.73Å; L421-F424 HydrophobicContact CD2-CE2 3.7Å; L421-F424 PolarHBondContact O-N 2.81Å; L421-L430 HydrophobicContact CD1-CD2 4.02Å; L421-V448 HydrophobicContact CB-CG2 3.89Å; L421-V448 WeakPolarHBondContact O-CG2 3.3Å
422	V	85.6	Confident	93	Very high	37 Å²	37	58.3 Å²	58.3	22%	0.224	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-32.7	-171.5	69.3	0	0	0	0	113.8	R419 H425 Q447	R419-V422 HydrophobicContact CB-CB 4.48Å; R419-V422 HydrophobicContact CB-CG1 4.47Å; R419-V422 WeakPolarHBondContact O-CB 3.4Å; R419-V422 WeakPolarHBondContact O-CG1 3.47Å; R419-V422 PolarHBondContact O-N 2.95Å; V422-H425 PolarHBondContact O-CE1 2.94Å; V422-H425 VanDerWaalsContact O-CE1 3.26Å; V422-Q447 PolarHBondContact O-OE1 3.25Å
423	N	84.4	Confident	93	Very high	72 Å²	72	52.2 Å²	52.2	39%	0.385	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-1.3	-170.2	-73.4	-32.8	0	0	0	114	T401 L421 H425	T401-N423 HydrophobicContact CG2-CB 4.12Å; L421-N423 PolarHBondContact O-N 2.9Å; N423-H425 VanDerWaalsContact C-N 3.29Å; N423-H425 PolarHBondContact O-N 3.11Å; N423-H425 VanDerWaalsContact O-N 3.08Å
424	F	89.3	Confident	93	Very high	1 Å²	1	55.4 Å²	55.4	0%	0.004	25%	0.253	C	S	.	.			trans	-88.1	60.2	-176.5	-66.9	-43.5	0	0	0	112.8	F397 I400 V403 L406 L421 M426 L427	F397-F424 HydrophobicContact CB-CE2 4.08Å; F397-F424 HydrophobicContact CB-CZ 3.62Å; F397-F424 HydrophobicContact CD1-CZ 4.24Å; F397-F424 AromaticContact CD2-CE2 3.77Å; F397-F424 HydrophobicContact CD2-CE2 3.77Å; F397-F424 HydrophobicContact CD2-CZ 4.06Å; F397-F424 HydrophobicContact CE2-CE2 4.37Å; F397-F424 AromaticContact CG-CE2 3.94Å; F397-F424 HydrophobicContact CG-CE2 3.94Å; F397-F424 AromaticContact CG-CZ 3.72Å; F397-F424 HydrophobicContact CG-CZ 3.72Å; I400-F424 HydrophobicContact CB-CE1 4.46Å; I400-F424 HydrophobicContact CD1-CE1 3.88Å; I400-F424 HydrophobicContact CD1-CZ 3.82Å; I400-F424 HydrophobicContact CG1-CE1 3.81Å; I400-F424 HydrophobicContact CG1-CZ 4.07Å; I400-F424 WeakPolarHBondContact O-CE1 3.44Å; V403-F424 HydrophobicContact CB-CD1 3.87Å; V403-F424 HydrophobicContact CB-CE1 3.7Å; V403-F424 HydrophobicContact CB-CZ 4.42Å; V403-F424 HydrophobicContact CG2-CD1 4.23Å; V403-F424 HydrophobicContact CG2-CE1 3.59Å; V403-F424 HydrophobicContact CG2-CZ 4.26Å; L406-F424 HydrophobicContact CD2-CD2 4.33Å; L406-F424 HydrophobicContact CD2-CE2 3.77Å; L421-F424 HydrophobicContact CB-CD2 4.19Å; L421-F424 HydrophobicContact CD2-CD2 3.73Å; L421-F424 HydrophobicContact CD2-CE2 3.7Å; L421-F424 PolarHBondContact O-N 2.81Å; F424-M426 PolarHBondContact O-N 2.98Å; F424-L427 HydrophobicContact CB-CB 4.09Å; F424-L427 WeakPolarHBondContact O-CB 3.41Å; F424-L427 PolarHBondContact O-N 2.91Å
425	H	87.1	Confident	93.1	Very high	108 Å²	108	46.7 Å²	46.7	50%	0.5	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-19.5	178.9	-53.5	-54.7	0	0	0	113.4	V422 N423 N451	V422-H425 PolarHBondContact O-CE1 2.94Å; V422-H425 VanDerWaalsContact O-CE1 3.26Å; N423-H425 VanDerWaalsContact C-N 3.29Å; N423-H425 PolarHBondContact O-N 3.11Å; N423-H425 VanDerWaalsContact O-N 3.08Å; H425-N451 PolarHBondContact O-ND2 3.16Å
426	M	90.4	Very high	93.3	Very high	96 Å²	96	47.9 Å²	47.9	47%	0.473	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	4.1	179.3	-58.9	-169.5	70.9	0	0	113.5	V403 N404 F424 E428	V403-M426 CarbonylContact O-C 3.03Å; N404-M426 WeakPolarHBondContact CA-O 3.45Å; F424-M426 PolarHBondContact O-N 2.98Å; M426-E428 PolarHBondContact O-N 3Å
427	L	94.4	Very high	93.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.216	C	C	.	.			trans	-67.2	121.6	-173.5	-153.6	68.1	0	0	0	111.2	V403 L406 F424 L430 V448 N451 L452	V403-L427 HydrophobicContact CB-CD1 4.44Å; V403-L427 HydrophobicContact CG1-CD1 3.89Å; V403-L427 WeakPolarHBondContact O-CA 3.09Å; V403-L427 WeakPolarHBondContact O-CD1 3.36Å; V403-L427 PolarHBondContact O-N 3.06Å; L406-L427 HydrophobicContact CB-CD1 3.82Å; F424-L427 HydrophobicContact CB-CB 4.09Å; F424-L427 WeakPolarHBondContact O-CB 3.41Å; F424-L427 PolarHBondContact O-N 2.91Å; L427-L430 HydrophobicContact CD2-CB 3.81Å; L427-L430 HydrophobicContact CD2-CD1 4.19Å; L427-L430 HydrophobicContact CD2-CD2 4.12Å; L427-L430 HydrophobicContact CD2-CG 4.26Å; L427-V448 HydrophobicContact CB-CG1 3.48Å; L427-V448 VanDerWaalsContact CB-CG1 3.48Å; L427-V448 HydrophobicContact CD2-CG1 3.37Å; L427-V448 HydrophobicContact CG-CG1 4.02Å; L427-N451 CarbonylContact O-C 3.51Å; L427-L452 HydrophobicContact CD2-CD1 4.39Å; L427-L452 HydrophobicContact CG-CD1 4.39Å; L427-L452 VanDerWaalsContact O-CA 3.32Å; L427-L452 WeakPolarHBondContact O-CA 3.36Å; L427-L452 PolarHBondContact O-N 2.97Å; L427-L452 VanDerWaalsContact O-N 3.13Å
428	E	95.3	Very high	93.4	Very high	65 Å²	65	49.3 Å²	49.3	30%	0.304	23%	0.226	S	C	.	.			trans	-100.9	-35.3	177.3	-75.2	174.9	-144.7	0	0	111.5	N404 M426 Y453 L454	N404-E428 HydrophobicContact CB-CB 4.39Å; N404-E428 HydrophobicContact CB-CG 4.25Å; N404-E428 PolarHBondContact ND2-OE1 2.9Å; N404-E428 WeakPolarHBondContact O-CA 3.41Å; N404-E428 WeakPolarHBondContact O-CB 3.45Å; N404-E428 PolarHBondContact O-N 2.96Å; M426-E428 PolarHBondContact O-N 3Å; E428-Y453 HydrophobicContact CB-CD1 3.96Å; E428-Y453 HydrophobicContact CB-CE1 3.47Å; E428-Y453 VanDerWaalsContact CB-CE1 3.47Å; E428-Y453 HydrophobicContact CG-CD1 4.22Å; E428-Y453 HydrophobicContact CG-CE1 3.72Å; E428-Y453 PolarHBondContact O-N 3.39Å; E428-Y453 WeakPolarHBondContact OE2-CE1 3.3Å; E428-Y453 PolarHBondContact OE2-OH 3.04Å; E428-L454 PolarHBondContact O-N 3.45Å; E428-L454 VanDerWaalsContact O-N 3.13Å
429	K	96.7	Very high	93.4	Very high	57 Å²	57	48.9 Å²	48.9	25%	0.248	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	126.7	-174.9	-51.6	-171.2	-175.8	-176.8	0	111.6	N404 L405 L406 Y431 Y453 L454	N404-K429 PolarHBondContact O-N 2.79Å; L405-K429 WeakPolarHBondContact CA-O 3.22Å; L405-K429 HydrophobicContact CB-CB 4.43Å; L405-K429 HydrophobicContact CD1-CD 4.14Å; L405-K429 HydrophobicContact CG-CB 4.1Å; L406-K429 PolarHBondContact N-O 2.49Å; K429-Y431 HydrophobicContact CB-CE2 3.99Å; K429-Y453 VanDerWaalsContact CE-CZ 3.49Å; K429-Y453 WeakPolarHBondContact CE-OH 3.3Å; K429-Y453 HydrophobicContact CG-CE2 4.44Å; K429-L454 VanDerWaalsContact CA-O 3.3Å; K429-L454 WeakPolarHBondContact CA-O 3.07Å; K429-L454 HydrophobicContact CB-CB 4.42Å; K429-L454 HydrophobicContact CD-CD1 4.46Å; K429-L454 HydrophobicContact CG-CB 4.09Å
430	L	96.2	Very high	93.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	122.3	176.9	179.8	55.8	0	0	0	110.6	L406 L421 L427 L432 L445 L452 L454 L455 D456	L406-L430 HydrophobicContact CB-CD1 4.12Å; L406-L430 HydrophobicContact CD2-CD1 4.02Å; L406-L430 HydrophobicContact CG-CD1 4.14Å; L406-L430 WeakPolarHBondContact O-CA 3.16Å; L421-L430 HydrophobicContact CD1-CD2 4.02Å; L427-L430 HydrophobicContact CD2-CB 3.81Å; L427-L430 HydrophobicContact CD2-CD1 4.19Å; L427-L430 HydrophobicContact CD2-CD2 4.12Å; L427-L430 HydrophobicContact CD2-CG 4.26Å; L430-L432 HydrophobicContact CD1-CD1 4.47Å; L430-L432 HydrophobicContact CD1-CG 4.15Å; L430-L432 HydrophobicContact CD2-CD1 3.91Å; L430-L432 HydrophobicContact CD2-CG 4.45Å; L430-L432 HydrophobicContact CG-CD1 4.1Å; L430-L432 HydrophobicContact CG-CG 4.12Å; L430-L445 HydrophobicContact CD2-CD2 4.1Å; L430-L452 HydrophobicContact CB-CD1 3.92Å; L430-L454 PolarHBondContact N-O 2.92Å; L430-L455 HydrophobicContact CB-CD1 3.83Å; L430-L455 HydrophobicContact CD2-CD1 3.87Å; L430-L455 HydrophobicContact CG-CD1 3.82Å; L430-L455 WeakPolarHBondContact O-CA 2.99Å; L430-D456 PolarHBondContact O-N 3.27Å
431	Y	97.7	Very high	93.1	Very high	55 Å²	55	44.8 Å²	44.8	22%	0.216	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	110.3	175.6	-58.6	-91.1	0	0	0	109.7	L406 V408 S409 K429 L454 D456	L406-Y431 PolarHBondContact O-N 2.76Å; V408-Y431 CarbonylContact C-O 3.26Å; V408-Y431 WeakPolarHBondContact CG2-O 3.49Å; V408-Y431 PolarHBondContact N-O 3.02Å; S409-Y431 PolarHBondContact N-O 3.06Å; K429-Y431 HydrophobicContact CB-CE2 3.99Å; Y431-L454 HydrophobicContact CD1-CD2 4.25Å; Y431-L454 HydrophobicContact CE1-CD2 3.48Å; Y431-L454 VanDerWaalsContact CE1-CD2 3.48Å; Y431-L454 HydrophobicContact CE2-CD2 4.31Å; Y431-L454 WeakPolarHBondContact OH-CD1 3.08Å; Y431-L454 WeakPolarHBondContact OH-CD2 3.12Å; Y431-D456 HydrophobicContact CD1-CB 3.89Å
432	L	97.2	Very high	92.6	Very high	1 Å²	1	48 Å²	48	1%	0.005	24%	0.235	C	C	.	.			trans	-113.6	2.4	175	-71.7	163.8	0	0	0	112	V408 L413 V416 L430 N435 L437 D456 L457 N460	V408-L432 HydrophobicContact CG2-CD2 3.42Å; V408-L432 VanDerWaalsContact CG2-CD2 3.42Å; V408-L432 HydrophobicContact CG2-CG 4.3Å; L413-L432 HydrophobicContact CD1-CD2 4.47Å; V416-L432 HydrophobicContact CG2-CD2 4.38Å; L430-L432 HydrophobicContact CD1-CD1 4.47Å; L430-L432 HydrophobicContact CD1-CG 4.15Å; L430-L432 HydrophobicContact CD2-CD1 3.91Å; L430-L432 HydrophobicContact CD2-CG 4.45Å; L430-L432 HydrophobicContact CG-CD1 4.1Å; L430-L432 HydrophobicContact CG-CG 4.12Å; L432-N435 PolarHBondContact O-ND2 2.85Å; L432-L437 HydrophobicContact CB-CD1 4.28Å; L432-L437 HydrophobicContact CD2-CD1 4.24Å; L432-D456 PolarHBondContact N-O 2.98Å; L432-L457 HydrophobicContact CB-CD2 4.17Å; L432-L457 HydrophobicContact CD1-CD2 3.88Å; L432-N460 PolarHBondContact O-ND2 2.94Å
433	N	97.7	Very high	92.3	Very high	14 Å²	14	51.2 Å²	51.2	8%	0.075	25%	0.248	C	C	.	.			trans	-63.1	155.3	-176	67.8	-72.4	0	0	0	113.4	S409 H410 N435 D456 S458	S409-N433 CarbonylContact C-O 3.01Å; S409-N433 WeakPolarHBondContact CA-O 3.42Å; S409-N433 VanDerWaalsContact CB-O 3.24Å; S409-N433 WeakPolarHBondContact CB-O 3.11Å; S409-N433 WeakPolarHBondContact CB-OD1 3.46Å; H410-N433 PolarHBondContact N-O 3.15Å; N433-N435 PolarHBondContact O-ND2 3.21Å; N433-D456 HydrophobicContact CB-CB 4.09Å; N433-D456 WeakPolarHBondContact CB-OD1 3.32Å; N433-D456 PolarHBondContact N-O 3.39Å; N433-S458 WeakPolarHBondContact CA-O 3.11Å; N433-S458 WeakPolarHBondContact CB-O 3.28Å; N433-S458 WeakPolarHBondContact CB-OG 3.17Å
434	D	98.2	Very high	91.9	Very high	67 Å²	67	47.8 Å²	47.8	36%	0.358	23%	0.229	S	C	.	.	S	Bend	trans	55.4	64	-178.9	-160	-21.1	0	0	0	111.3	H410 N411 S458 D459	H410-D434 CarbonylContact C-O 3.51Å; H410-D434 WeakPolarHBondContact CA-O 3.36Å; H410-D434 HydrophobicContact CB-CB 4.46Å; H410-D434 IonicContact CE1-OD2 2.76Å; H410-D434 PolarHBondContact CE1-OD2 3.1Å; H410-D434 IonicContact CG-OD2 3.42Å; H410-D434 PolarHBondContact N-O 3.03Å; H410-D434 WeakPolarHBondContact ND1-CB 3.47Å; H410-D434 VanDerWaalsContact ND1-CG 3.27Å; H410-D434 IonicContact ND1-OD2 3.67Å; H410-D434 PolarHBondContact ND1-OD2 3.35Å; N411-D434 PolarHBondContact N-O 3.47Å; D434-S458 PolarHBondContact N-O 3.01Å; D434-S458 VanDerWaalsContact N-O 3.14Å; D434-D459 VanDerWaalsContact CA-O 3.26Å; D434-D459 WeakPolarHBondContact CA-O 3.32Å; D434-D459 HydrophobicContact CB-CB 4.29Å; D434-D459 PolarHBondContact N-O 3.22Å
435	N	98.5	Very high	91.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-136.9	-165.9	177.5	-89.7	-69.2	0	0	0	109	V408 N411 R412 L413 L432 N433 L437 D459 N460	V408-N435 PolarHBondContact O-ND2 2.98Å; N411-N435 VanDerWaalsContact CA-OD1 3.3Å; N411-N435 WeakPolarHBondContact CA-OD1 3.19Å; N411-N435 WeakPolarHBondContact CB-OD1 3.28Å; N411-N435 PolarHBondContact N-OD1 3.22Å; N411-N435 PolarHBondContact O-OD1 2.99Å; R412-N435 PolarHBondContact N-OD1 3.25Å; L413-N435 HydrophobicContact CB-CB 4.16Å; L413-N435 VanDerWaalsContact CB-OD1 3.25Å; L413-N435 WeakPolarHBondContact CB-OD1 3.04Å; L413-N435 VanDerWaalsContact CG-OD1 3.27Å; L413-N435 WeakPolarHBondContact CG-OD1 3Å; L413-N435 PolarHBondContact N-OD1 3.32Å; L432-N435 PolarHBondContact O-ND2 2.85Å; N433-N435 PolarHBondContact O-ND2 3.21Å; N435-L437 HydrophobicContact CB-CG 4.26Å; N435-D459 PolarHBondContact N-O 3.5Å; N435-N460 WeakPolarHBondContact CA-OD1 3.41Å; N435-N460 WeakPolarHBondContact CB-OD1 3.37Å; N435-N460 PolarHBondContact O-OD1 3.25Å
436	Q	97.7	Very high	91	Very high	98 Å²	98	44.6 Å²	44.6	46%	0.458	22%	0.222	S	C	.	.			trans	-121.2	31	-179.4	-60.3	-65.9	-70.3	0	0	111.2	L413 R414 Q438 N460	L413-Q436 CarbonylContact O-C 3.56Å; L413-Q436 WeakPolarHBondContact O-CA 3.23Å; L413-Q436 WeakPolarHBondContact O-CB 3.26Å; L413-Q436 PolarHBondContact O-N 2.77Å; R414-Q436 HydrophobicContact CG-CB 4.1Å; Q436-Q438 PolarHBondContact O-N 2.84Å; Q436-N460 PolarHBondContact N-OD1 3.13Å
437	L	96.4	Very high	90.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.219	C	C	.	.			trans	-74.8	121.8	-177.6	-60.9	170.9	0	0	0	109.8	L413 V416 L432 N435 N460 P461 W462	L413-L437 HydrophobicContact CB-CD2 4.01Å; L413-L437 HydrophobicContact CB-CG 4.4Å; L413-L437 WeakPolarHBondContact O-CD2 3.27Å; L413-L437 PolarHBondContact O-N 3.33Å; L413-L437 VanDerWaalsContact O-N 3.09Å; V416-L437 HydrophobicContact CG2-CD1 4.35Å; V416-L437 HydrophobicContact CG2-CD2 3.85Å; L432-L437 HydrophobicContact CB-CD1 4.28Å; L432-L437 HydrophobicContact CD2-CD1 4.24Å; N435-L437 HydrophobicContact CB-CG 4.26Å; L437-N460 HydrophobicContact CB-CB 4.32Å; L437-N460 VanDerWaalsContact CB-OD1 3.27Å; L437-N460 WeakPolarHBondContact CB-OD1 3.39Å; L437-N460 WeakPolarHBondContact CG-OD1 3.38Å; L437-N460 PolarHBondContact N-OD1 3.04Å; L437-P461 CarbonylContact O-C 3.17Å; L437-P461 WeakPolarHBondContact O-CD 3.28Å; L437-W462 HydrophobicContact CB-CH2 3.71Å; L437-W462 HydrophobicContact CB-CZ2 4.27Å; L437-W462 HydrophobicContact CB-CZ3 3.86Å; L437-W462 HydrophobicContact CD1-CH2 3.96Å; L437-W462 HydrophobicContact CD1-CZ2 4.46Å; L437-W462 HydrophobicContact CG-CH2 4.49Å
438	Q	94.5	Very high	89.3	Confident	104 Å²	104	44.1 Å²	44.1	49%	0.486	22%	0.219	S	C	.	.	S	Bend	trans	-92.9	-25.9	172.3	-66.7	178.4	-4.8	0	0	112.3	Q436 P461 H463	Q436-Q438 PolarHBondContact O-N 2.84Å; Q438-P461 VanDerWaalsContact CA-O 3.29Å; Q438-P461 WeakPolarHBondContact CA-O 3.17Å; Q438-P461 HydrophobicContact CG-CG 4.19Å; Q438-P461 WeakPolarHBondContact CG-O 3.34Å; Q438-H463 HydrophobicContact CB-CB 4.36Å; Q438-H463 PolarHBondContact O-N 3.32Å
439	Q	91	Very high	88.1	Confident	124 Å²	124	41.7 Å²	41.7	58%	0.579	21%	0.209	S	C	*	.			trans	-153.4	159.5	-177.8	63.2	-177.9	13.8	0	0	110.3
440	L	90.1	Very high	87.4	Confident	12 Å²	12	45.9 Å²	45.9	6%	0.063	23%	0.234	C	C	.	.			trans	-132.8	154.3	171.5	-169.1	61.2	0	0	0	107.5	V416 L445 W462 W470	V416-L440 HydrophobicContact CB-CD1 3.82Å; V416-L440 HydrophobicContact CG1-CD1 4.14Å; V416-L440 HydrophobicContact CG2-CD1 4.31Å; L440-L445 HydrophobicContact CD2-CD1 3.5Å; L440-L445 HydrophobicContact CD2-CD2 3.93Å; L440-L445 HydrophobicContact CD2-CG 3.49Å; L440-L445 VanDerWaalsContact CD2-CG 3.49Å; L440-L445 HydrophobicContact CG-CG 4.37Å; L440-W462 HydrophobicContact CB-CH2 4.26Å; L440-W462 HydrophobicContact CB-CZ3 4.02Å; L440-W470 VanDerWaalsContact C-CZ2 3.47Å; L440-W470 HydrophobicContact CB-CH2 4.39Å; L440-W470 HydrophobicContact CB-CZ2 3.95Å; L440-W470 HydrophobicContact CD2-CH2 4.44Å; L440-W470 HydrophobicContact CG-CH2 4.37Å; L440-W470 HydrophobicContact CG-CZ2 4.34Å; L440-W470 WeakPolarHBondContact O-CZ2 3.48Å; L440-W470 PolarHBondContact O-NE1 3.31Å; L440-W470 VanDerWaalsContact O-NE1 3.13Å
441	S	85.9	Confident	87	Confident	27 Å²	27	50.2 Å²	50.2	19%	0.189	26%	0.257	C	S	.	.			trans	-91	147.9	175.6	77.4	0	0	0	0	111.2	R418 E443 S444 W470	R418-S441 VanDerWaalsContact CA-OG 3.24Å; R418-S441 WeakPolarHBondContact CA-OG 3.02Å; R418-S441 WeakPolarHBondContact CB-OG 3.34Å; S441-E443 VanDerWaalsContact C-N 3.25Å; S441-E443 PolarHBondContact O-N 3Å; S441-S444 WeakPolarHBondContact O-CB 3.45Å; S441-S444 PolarHBondContact O-N 3Å; S441-S444 VanDerWaalsContact O-N 3.13Å; S441-S444 PolarHBondContact OG-N 2.79Å; S441-S444 PolarHBondContact OG-OG 2.91Å; S441-W470 WeakPolarHBondContact O-CH2 3.3Å; S441-W470 WeakPolarHBondContact O-CZ2 3.49Å
442	N	81.2	Confident	86.7	Confident	70 Å²	70	47.8 Å²	47.8	37%	0.374	25%	0.248	S	C	.	.	H	α-helix	trans	-58.3	-41.7	176.2	-176.6	16.4	0	0	0	111.1	S444 L445 A446 W470	N442-S444 PolarHBondContact O-N 2.84Å; N442-L445 PolarHBondContact O-N 2.84Å; N442-A446 WeakPolarHBondContact O-CB 3.27Å; N442-A446 PolarHBondContact O-N 3.01Å; N442-W470 HydrophobicContact CB-CB 4.49Å; N442-W470 HydrophobicContact CB-CD2 3.66Å; N442-W470 HydrophobicContact CB-CE3 3.81Å; N442-W470 HydrophobicContact CB-CG 3.94Å; N442-W470 HydrophobicContact CB-CZ3 4.4Å
443	E	78.6	Confident	86.5	Confident	104 Å²	104	53.3 Å²	53.3	49%	0.486	27%	0.269	S	S	.	.	H	α-helix	trans	-59.3	-33	178.8	-63.5	79	-175.4	0	0	112.5	R418 S441	R418-E443 HydrophobicContact CB-CB 4.4Å; S441-E443 VanDerWaalsContact C-N 3.25Å; S441-E443 PolarHBondContact O-N 3Å
444	S	76.5	Confident	86.3	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64	-39.2	178.9	-63	0	0	0	0	113.3	R418 S441 N442 V448	R418-S444 WeakPolarHBondContact CA-OG 3.07Å; S441-S444 WeakPolarHBondContact O-CB 3.45Å; S441-S444 PolarHBondContact O-N 3Å; S441-S444 VanDerWaalsContact O-N 3.13Å; S441-S444 PolarHBondContact OG-N 2.79Å; S441-S444 PolarHBondContact OG-OG 2.91Å; N442-S444 PolarHBondContact O-N 2.84Å; S444-V448 WeakPolarHBondContact O-CG2 3.25Å
445	L	80.4	Confident	86.2	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-101.7	-33.2	-175.4	-71	-170.7	0	0	0	113.6	L430 L440 N442 Q447 V448 S449 L455 W470 L471 W474	L430-L445 HydrophobicContact CD2-CD2 4.1Å; L440-L445 HydrophobicContact CD2-CD1 3.5Å; L440-L445 HydrophobicContact CD2-CD2 3.93Å; L440-L445 HydrophobicContact CD2-CG 3.49Å; L440-L445 VanDerWaalsContact CD2-CG 3.49Å; L440-L445 HydrophobicContact CG-CG 4.37Å; N442-L445 PolarHBondContact O-N 2.84Å; L445-Q447 PolarHBondContact O-N 2.98Å; L445-Q447 VanDerWaalsContact O-N 3.13Å; L445-V448 PolarHBondContact O-N 2.95Å; L445-V448 VanDerWaalsContact O-N 3.11Å; L445-S449 WeakPolarHBondContact O-CB 3.07Å; L445-S449 PolarHBondContact O-N 3.48Å; L445-L455 HydrophobicContact CD1-CD2 4.33Å; L445-W470 HydrophobicContact CB-CH2 4.25Å; L445-W470 HydrophobicContact CB-CZ3 4.26Å; L445-W470 HydrophobicContact CD1-CH2 3.93Å; L445-W470 HydrophobicContact CD1-CZ3 4.3Å; L445-W470 HydrophobicContact CG-CH2 4.2Å; L445-L471 HydrophobicContact CD1-CD1 4.22Å; L445-W474 HydrophobicContact CB-CZ2 4.43Å; L445-W474 HydrophobicContact CD1-CE3 4.27Å; L445-W474 HydrophobicContact CD1-CH2 4.22Å; L445-W474 HydrophobicContact CD1-CZ2 4.45Å; L445-W474 HydrophobicContact CD1-CZ3 4.14Å
446	A	76.1	Confident	86	Confident	42 Å²	42	51.7 Å²	51.7	35%	0.347	26%	0.261	S	S	.	.	H	α-helix	trans	-54.6	-37.8	-175.7	0	0	0	0	0	112.1	N442 S449	N442-A446 WeakPolarHBondContact O-CB 3.27Å; N442-A446 PolarHBondContact O-N 3.01Å; A446-S449 PolarHBondContact O-OG 2.87Å
447	Q	71.6	Confident	85.9	Confident	85 Å²	85	47 Å²	47	40%	0.397	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-17.4	-175.8	-64.4	178	-12.6	0	0	114.8	V422 L445	V422-Q447 PolarHBondContact O-OE1 3.25Å; L445-Q447 PolarHBondContact O-N 2.98Å; L445-Q447 VanDerWaalsContact O-N 3.13Å
448	V	78.7	Confident	85.9	Confident	1 Å²	1	47 Å²	47	1%	0.006	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-12.1	178.7	-174	0	0	0	0	110.7	L421 L427 S444 L445 D450	L421-V448 HydrophobicContact CB-CG2 3.89Å; L421-V448 WeakPolarHBondContact O-CG2 3.3Å; L427-V448 HydrophobicContact CB-CG1 3.48Å; L427-V448 VanDerWaalsContact CB-CG1 3.48Å; L427-V448 HydrophobicContact CD2-CG1 3.37Å; L427-V448 HydrophobicContact CG-CG1 4.02Å; S444-V448 WeakPolarHBondContact O-CG2 3.25Å; L445-V448 PolarHBondContact O-N 2.95Å; L445-V448 VanDerWaalsContact O-N 3.11Å; V448-D450 PolarHBondContact O-N 2.04Å
449	S	69.9	Low	86	Confident	14 Å²	14	46.1 Å²	46.1	10%	0.098	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-16.9	-158.9	74.3	0	0	0	0	116	L445 A446 N451 R478	L445-S449 WeakPolarHBondContact O-CB 3.07Å; L445-S449 PolarHBondContact O-N 3.48Å; A446-S449 PolarHBondContact O-OG 2.87Å; S449-N451 PolarHBondContact O-N 2.92Å; S449-R478 VanDerWaalsContact O-CZ 3.3Å; S449-R478 PolarHBondContact O-NH1 2.88Å; S449-R478 PolarHBondContact O-NH2 2.88Å
450	D	82.3	Confident	86.3	Confident	144 Å²	144	40.7 Å²	40.7	77%	0.77	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-35.4	-172.3	-69.1	-21.1	0	0	0	113.5	V448	V448-D450 PolarHBondContact O-N 2.04Å
451	N	87.8	Confident	86.6	Confident	91 Å²	91	41.2 Å²	41.2	49%	0.487	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-8.2	-178.3	-71.5	-47.2	0	0	0	113.8	H425 L427 S449 Y453	H425-N451 PolarHBondContact O-ND2 3.16Å; L427-N451 CarbonylContact O-C 3.51Å; S449-N451 PolarHBondContact O-N 2.92Å; N451-Y453 PolarHBondContact O-N 3.29Å
452	L	90.9	Very high	87	Confident	4 Å²	4	40.1 Å²	40.1	2%	0.021	21%	0.208	C	C	.	.			trans	-70.2	120	-176.7	-168.3	69.7	0	0	0	110.2	L427 L430 L455 W474 R478 I481	L427-L452 HydrophobicContact CD2-CD1 4.39Å; L427-L452 HydrophobicContact CG-CD1 4.39Å; L427-L452 VanDerWaalsContact O-CA 3.32Å; L427-L452 WeakPolarHBondContact O-CA 3.36Å; L427-L452 PolarHBondContact O-N 2.97Å; L427-L452 VanDerWaalsContact O-N 3.13Å; L430-L452 HydrophobicContact CB-CD1 3.92Å; L452-L455 HydrophobicContact CD2-CB 4.07Å; L452-L455 HydrophobicContact CD2-CD2 4.32Å; L452-W474 HydrophobicContact CD2-CH2 4.31Å; L452-R478 PolarHBondContact O-NH2 3.32Å; L452-I481 HydrophobicContact CD2-CD1 4.08Å; L452-I481 HydrophobicContact CG-CD1 4.28Å; L452-I481 WeakPolarHBondContact O-CG2 3.48Å
453	Y	92.1	Very high	87.5	Confident	117 Å²	117	40.5 Å²	40.5	46%	0.459	21%	0.208	S	C	.	.			trans	-120.6	-6	174.2	69.1	-99.3	0	0	0	113.8	E428 K429 N451 I481	E428-Y453 HydrophobicContact CB-CD1 3.96Å; E428-Y453 HydrophobicContact CB-CE1 3.47Å; E428-Y453 VanDerWaalsContact CB-CE1 3.47Å; E428-Y453 HydrophobicContact CG-CD1 4.22Å; E428-Y453 HydrophobicContact CG-CE1 3.72Å; E428-Y453 PolarHBondContact O-N 3.39Å; E428-Y453 WeakPolarHBondContact OE2-CE1 3.3Å; E428-Y453 PolarHBondContact OE2-OH 3.04Å; K429-Y453 VanDerWaalsContact CE-CZ 3.49Å; K429-Y453 WeakPolarHBondContact CE-OH 3.3Å; K429-Y453 HydrophobicContact CG-CE2 4.44Å; N451-Y453 PolarHBondContact O-N 3.29Å; Y453-I481 WeakPolarHBondContact O-CA 3.31Å
454	L	95	Very high	88	Confident	39 Å²	39	35.6 Å²	35.6	20%	0.204	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	117.2	172.8	-164.7	163.1	0	0	0	110.1	E428 K429 L430 Y431 I481 T483	E428-L454 PolarHBondContact O-N 3.45Å; E428-L454 VanDerWaalsContact O-N 3.13Å; K429-L454 VanDerWaalsContact CA-O 3.3Å; K429-L454 WeakPolarHBondContact CA-O 3.07Å; K429-L454 HydrophobicContact CB-CB 4.42Å; K429-L454 HydrophobicContact CD-CD1 4.46Å; K429-L454 HydrophobicContact CG-CB 4.09Å; L430-L454 PolarHBondContact N-O 2.92Å; Y431-L454 HydrophobicContact CD1-CD2 4.25Å; Y431-L454 HydrophobicContact CE1-CD2 3.48Å; Y431-L454 VanDerWaalsContact CE1-CD2 3.48Å; Y431-L454 HydrophobicContact CE2-CD2 4.31Å; Y431-L454 WeakPolarHBondContact OH-CD1 3.08Å; Y431-L454 WeakPolarHBondContact OH-CD2 3.12Å; L454-I481 CarbonylContact C-O 3.3Å; L454-I481 WeakPolarHBondContact CA-O 3.22Å; L454-T483 HydrophobicContact CD2-CG2 3.81Å; L454-T483 HydrophobicContact CG-CG2 4.41Å
455	L	94.5	Very high	88.5	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	128	174.7	176.2	62.4	0	0	0	110.2	L430 L445 L452 L457 W474 I481 L482 T483	L430-L455 HydrophobicContact CB-CD1 3.83Å; L430-L455 HydrophobicContact CD2-CD1 3.87Å; L430-L455 HydrophobicContact CG-CD1 3.82Å; L430-L455 WeakPolarHBondContact O-CA 2.99Å; L445-L455 HydrophobicContact CD1-CD2 4.33Å; L452-L455 HydrophobicContact CD2-CB 4.07Å; L452-L455 HydrophobicContact CD2-CD2 4.32Å; L455-L457 HydrophobicContact CD1-CD2 3.91Å; L455-L457 HydrophobicContact CD1-CG 4.2Å; L455-L457 HydrophobicContact CD2-CD1 3.98Å; L455-L457 HydrophobicContact CD2-CD2 4.27Å; L455-L457 HydrophobicContact CD2-CG 3.97Å; L455-L457 HydrophobicContact CG-CD1 4.47Å; L455-L457 HydrophobicContact CG-CD2 4.19Å; L455-L457 HydrophobicContact CG-CG 3.92Å; L455-W474 HydrophobicContact CD2-CH2 3.39Å; L455-W474 HydrophobicContact CD2-CZ3 3.43Å; L455-W474 VanDerWaalsContact CD2-CZ3 3.43Å; L455-I481 PolarHBondContact N-O 3.21Å; L455-L482 HydrophobicContact CB-CD2 4.3Å; L455-L482 HydrophobicContact CD2-CD2 3.88Å; L455-L482 HydrophobicContact CG-CD2 4.12Å; L455-L482 WeakPolarHBondContact O-CA 3.46Å; L455-T483 WeakPolarHBondContact O-CG2 3.13Å; L455-T483 PolarHBondContact O-N 2.68Å
456	D	96	Very high	88.8	Confident	8 Å²	8	39 Å²	39	4%	0.043	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	117.3	170.9	-155.4	-23.5	0	0	0	111.2	L430 Y431 L432 N433 S458 T483 N484	L430-D456 PolarHBondContact O-N 3.27Å; Y431-D456 HydrophobicContact CD1-CB 3.89Å; L432-D456 PolarHBondContact N-O 2.98Å; N433-D456 HydrophobicContact CB-CB 4.09Å; N433-D456 WeakPolarHBondContact CB-OD1 3.32Å; N433-D456 PolarHBondContact N-O 3.39Å; D456-S458 WeakPolarHBondContact OD1-CB 3.15Å; D456-S458 PolarHBondContact OD1-N 3.41Å; D456-S458 PolarHBondContact OD1-OG 3.45Å; D456-S458 VanDerWaalsContact OD1-OG 3.12Å; D456-T483 HydrophobicContact CB-CG2 3.46Å; D456-T483 VanDerWaalsContact CB-CG2 3.46Å; D456-T483 WeakPolarHBondContact OD2-CG2 3.43Å; D456-N484 PolarHBondContact OD2-ND2 3.15Å
457	L	95.3	Very high	89.2	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.217	C	C	.	.			trans	-116.2	8.5	177	-62.3	179.5	0	0	0	112.1	L432 L455 W462 L471 M475 L482 T488	L432-L457 HydrophobicContact CB-CD2 4.17Å; L432-L457 HydrophobicContact CD1-CD2 3.88Å; L455-L457 HydrophobicContact CD1-CD2 3.91Å; L455-L457 HydrophobicContact CD1-CG 4.2Å; L455-L457 HydrophobicContact CD2-CD1 3.98Å; L455-L457 HydrophobicContact CD2-CD2 4.27Å; L455-L457 HydrophobicContact CD2-CG 3.97Å; L455-L457 HydrophobicContact CG-CD1 4.47Å; L455-L457 HydrophobicContact CG-CD2 4.19Å; L455-L457 HydrophobicContact CG-CG 3.92Å; L457-W462 HydrophobicContact CB-CZ2 4.05Å; L457-W462 HydrophobicContact CD2-CH2 4.45Å; L457-W462 HydrophobicContact CD2-CZ2 4.04Å; L457-W462 HydrophobicContact CG-CZ2 4.45Å; L457-W462 PolarHBondContact O-NE1 3.44Å; L457-L471 HydrophobicContact CD1-CD1 4.13Å; L457-M475 HydrophobicContact CD1-SD 4.45Å; L457-L482 HydrophobicContact CD1-CD2 4.27Å; L457-T488 HydrophobicContact CB-CG2 4Å
458	S	95.8	Very high	89.9	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.007	20%	0.203	C	C	.	.			trans	-63.6	163.5	-176.2	75	0	0	0	0	112.4	N433 D434 D456 N460	N433-S458 WeakPolarHBondContact CA-O 3.11Å; N433-S458 WeakPolarHBondContact CB-O 3.28Å; N433-S458 WeakPolarHBondContact CB-OG 3.17Å; D434-S458 PolarHBondContact N-O 3.01Å; D434-S458 VanDerWaalsContact N-O 3.14Å; D456-S458 WeakPolarHBondContact OD1-CB 3.15Å; D456-S458 PolarHBondContact OD1-N 3.41Å; D456-S458 PolarHBondContact OD1-OG 3.45Å; D456-S458 VanDerWaalsContact OD1-OG 3.12Å; S458-N460 VanDerWaalsContact C-N 3.29Å; S458-N460 PolarHBondContact O-N 3.04Å; S458-N460 PolarHBondContact O-ND2 3.39Å
459	D	96.4	Very high	90.2	Very high	85 Å²	85	39.8 Å²	39.8	46%	0.455	21%	0.21	S	C	.	.	S	Bend	trans	56.4	43.7	168.7	-48.5	-62.2	0	0	0	113	D434 N435 L487	D434-D459 VanDerWaalsContact CA-O 3.26Å; D434-D459 WeakPolarHBondContact CA-O 3.32Å; D434-D459 HydrophobicContact CB-CB 4.29Å; D434-D459 PolarHBondContact N-O 3.22Å; N435-D459 PolarHBondContact N-O 3.5Å; D459-L487 PolarHBondContact N-O 3.18Å
460	N	97	Very high	90.9	Very high	10 Å²	10	41.4 Å²	41.4	5%	0.053	21%	0.214	C	C	.	.			trans	-126.6	143.8	170.9	-84.2	-84.7	0	0	0	109.1	L432 N435 Q436 L437 S458 W462	L432-N460 PolarHBondContact O-ND2 2.94Å; N435-N460 WeakPolarHBondContact CA-OD1 3.41Å; N435-N460 WeakPolarHBondContact CB-OD1 3.37Å; N435-N460 PolarHBondContact O-OD1 3.25Å; Q436-N460 PolarHBondContact N-OD1 3.13Å; L437-N460 HydrophobicContact CB-CB 4.32Å; L437-N460 VanDerWaalsContact CB-OD1 3.27Å; L437-N460 WeakPolarHBondContact CB-OD1 3.39Å; L437-N460 WeakPolarHBondContact CG-OD1 3.38Å; L437-N460 PolarHBondContact N-OD1 3.04Å; S458-N460 VanDerWaalsContact C-N 3.29Å; S458-N460 PolarHBondContact O-N 3.04Å; S458-N460 PolarHBondContact O-ND2 3.39Å; N460-W462 HydrophobicContact CB-CD2 4.21Å; N460-W462 HydrophobicContact CB-CG 4.41Å; N460-W462 HydrophobicContact CB-CZ2 3.87Å; N460-W462 PolarHBondContact O-N 2.98Å
461	P	95.8	Very high	91.2	Very high	23 Å²	23	34.9 Å²	34.9	15%	0.149	18%	0.179	C	C	.	.			trans	-78	64.7	-179.6	34.4	-37.2	0	0	0	111.3	L437 Q438 H463 E491	L437-P461 CarbonylContact O-C 3.17Å; L437-P461 WeakPolarHBondContact O-CD 3.28Å; Q438-P461 VanDerWaalsContact CA-O 3.29Å; Q438-P461 WeakPolarHBondContact CA-O 3.17Å; Q438-P461 HydrophobicContact CG-CG 4.19Å; Q438-P461 WeakPolarHBondContact CG-O 3.34Å; P461-H463 PolarHBondContact O-N 3.17Å; P461-E491 HydrophobicContact CB-CB 4.21Å; P461-E491 HydrophobicContact CB-CG 4.12Å
462	W	94.4	Very high	91	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.015	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-64.4	123.1	-175.8	-62.7	108.1	0	0	0	111.7	L437 L440 L457 N460 C464 L471 C490 E491 I497	L437-W462 HydrophobicContact CB-CH2 3.71Å; L437-W462 HydrophobicContact CB-CZ2 4.27Å; L437-W462 HydrophobicContact CB-CZ3 3.86Å; L437-W462 HydrophobicContact CD1-CH2 3.96Å; L437-W462 HydrophobicContact CD1-CZ2 4.46Å; L437-W462 HydrophobicContact CG-CH2 4.49Å; L440-W462 HydrophobicContact CB-CH2 4.26Å; L440-W462 HydrophobicContact CB-CZ3 4.02Å; L457-W462 HydrophobicContact CB-CZ2 4.05Å; L457-W462 HydrophobicContact CD2-CH2 4.45Å; L457-W462 HydrophobicContact CD2-CZ2 4.04Å; L457-W462 HydrophobicContact CG-CZ2 4.45Å; L457-W462 PolarHBondContact O-NE1 3.44Å; N460-W462 HydrophobicContact CB-CD2 4.21Å; N460-W462 HydrophobicContact CB-CG 4.41Å; N460-W462 HydrophobicContact CB-CZ2 3.87Å; N460-W462 PolarHBondContact O-N 2.98Å; W462-C464 PolarHBondContact O-N 3.38Å; W462-L471 HydrophobicContact CD2-CD2 4.5Å; W462-L471 HydrophobicContact CE3-CD2 4.17Å; W462-L471 HydrophobicContact CZ3-CD2 4.29Å; W462-C490 CarbonylContact O-C 3.4Å; W462-C490 VanDerWaalsContact O-CA 3.31Å; W462-C490 WeakPolarHBondContact O-CA 3.4Å; W462-E491 PolarHBondContact O-N 3.02Å; W462-I497 HydrophobicContact CB-CD1 3.71Å; W462-I497 HydrophobicContact CG-CD1 3.77Å
463	H	92.4	Very high	90.8	Very high	77 Å²	77	35.3 Å²	35.3	36%	0.356	18%	0.177	S	C	.	.			trans	-80	109.1	172.9	-172.8	50	0	0	0	109.1	Q438 P461 N465 E492	Q438-H463 HydrophobicContact CB-CB 4.36Å; Q438-H463 PolarHBondContact O-N 3.32Å; P461-H463 PolarHBondContact O-N 3.17Å; H463-N465 VanDerWaalsContact CD2-CG 3.47Å; H463-N465 PolarHBondContact CD2-ND2 3.39Å; H463-N465 VanDerWaalsContact CD2-ND2 3.26Å; H463-N465 PolarHBondContact O-N 3.28Å; H463-N465 VanDerWaalsContact O-N 3.11Å; H463-E492 IonicContact CE1-OE1 3.88Å; H463-E492 PolarHBondContact CE1-OE1 2.93Å; H463-E492 IonicContact CG-OE1 3.17Å; H463-E492 IonicContact ND1-OE1 3.28Å; H463-E492 PolarHBondContact ND1-OE1 3.01Å; H463-E492 IonicContact ND1-OE2 3.82Å
464	C	89.6	Confident	90.5	Very high	1 Å²	1	31 Å²	31	1%	0.007	16%	0.159	C	C	.	.			trans	-89.3	74.6	-175.9	-71	0	0	0	0	111.5	W462 C490 E492 I500 Y515	W462-C464 PolarHBondContact O-N 3.38Å; C464-C490 HydrophobicContact CB-CB 3.64Å; C464-C490 WeakPolarHBondContact CB-SG 3.27Å; C464-C490 WeakPolarHBondContact SG-CA 3.45Å; C464-C490 WeakPolarHBondContact SG-CB 3.38Å; C464-C490 CovalentContact SG-SG 2.02Å; C464-C490 PolarHBondContact SG-SG 3.1Å; C464-E492 PolarHBondContact N-OE2 2.99Å; C464-I500 HydrophobicContact CB-CD1 3.92Å; C464-Y515 WeakPolarHBondContact O-CD1 3.35Å; C464-Y515 WeakPolarHBondContact O-CE1 3.45Å; C464-Y515 VanDerWaalsContact O-CZ 3.27Å
465	N	87.4	Confident	90	Very high	27 Å²	27	29.3 Å²	29.3	14%	0.144	15%	0.151	C	C	.	.	S	Bend	trans	-113	-172.9	176.2	73.7	-2.8	0	0	0	111.5	H463 D467 A468 L504	H463-N465 VanDerWaalsContact CD2-CG 3.47Å; H463-N465 PolarHBondContact CD2-ND2 3.39Å; H463-N465 VanDerWaalsContact CD2-ND2 3.26Å; H463-N465 PolarHBondContact O-N 3.28Å; H463-N465 VanDerWaalsContact O-N 3.11Å; N465-D467 PolarHBondContact ND2-OD2 2.94Å; N465-D467 PolarHBondContact O-N 3.13Å; N465-D467 VanDerWaalsContact O-N 3.16Å; N465-D467 WeakPolarHBondContact OD1-CA 3.44Å; N465-D467 VanDerWaalsContact OD1-CB 3.28Å; N465-D467 WeakPolarHBondContact OD1-CB 3.29Å; N465-D467 PolarHBondContact OD1-N 3.33Å; N465-A468 WeakPolarHBondContact O-CB 3.48Å; N465-A468 PolarHBondContact O-N 2.89Å; N465-A468 PolarHBondContact OD1-N 3.47Å; N465-L504 WeakPolarHBondContact O-CD1 3.09Å
466	C	86.6	Confident	89.6	Confident	46 Å²	46	33.8 Å²	33.8	31%	0.311	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-64.2	-18.3	179.1	-64.5	0	0	0	0	115	A468 V469 C508	C466-A468 VanDerWaalsContact C-N 3.28Å; C466-V469 HydrophobicContact CB-CG2 4.49Å; C466-V469 WeakPolarHBondContact O-CB 3.23Å; C466-V469 VanDerWaalsContact O-CG2 3.26Å; C466-V469 WeakPolarHBondContact O-CG2 3.34Å; C466-C508 WeakPolarHBondContact CA-SG 3.38Å; C466-C508 HydrophobicContact CB-CB 3.68Å; C466-C508 WeakPolarHBondContact CB-SG 3.49Å; C466-C508 WeakPolarHBondContact SG-CB 3.39Å; C466-C508 CovalentContact SG-SG 2.04Å; C466-C508 PolarHBondContact SG-SG 3.46Å
467	D	84.1	Confident	89.1	Confident	107 Å²	107	37.7 Å²	37.7	57%	0.572	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-75.2	-20.3	172	-53.8	-49.9	0	0	0	111.8	N465 W470	N465-D467 PolarHBondContact ND2-OD2 2.94Å; N465-D467 PolarHBondContact O-N 3.13Å; N465-D467 VanDerWaalsContact O-N 3.16Å; N465-D467 WeakPolarHBondContact OD1-CA 3.44Å; N465-D467 VanDerWaalsContact OD1-CB 3.28Å; N465-D467 WeakPolarHBondContact OD1-CB 3.29Å; N465-D467 PolarHBondContact OD1-N 3.33Å; D467-W470 PolarHBondContact O-NE1 3.39Å
468	A	85.4	Confident	88.6	Confident	14 Å²	14	40.2 Å²	40.2	12%	0.116	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-86.7	-5.4	176.9	0	0	0	0	0	113.7	N465 C466 W470 L471 A472 L504	N465-A468 WeakPolarHBondContact O-CB 3.48Å; N465-A468 PolarHBondContact O-N 2.89Å; N465-A468 PolarHBondContact OD1-N 3.47Å; C466-A468 VanDerWaalsContact C-N 3.28Å; A468-W470 PolarHBondContact O-N 3.31Å; A468-L471 WeakPolarHBondContact O-CB 3.2Å; A468-L471 PolarHBondContact O-N 3.49Å; A468-A472 PolarHBondContact O-N 3.21Å; A468-L504 HydrophobicContact CB-CD2 4.44Å
469	V	85.4	Confident	88.1	Confident	24 Å²	24	45.6 Å²	45.6	15%	0.145	22%	0.223	C	C	.	.	H	α-helix	trans	-54.5	-40.8	-179.1	169.8	0	0	0	0	111.8	C466 L471 A472 K473 L504 I505 C508	C466-V469 HydrophobicContact CB-CG2 4.49Å; C466-V469 WeakPolarHBondContact O-CB 3.23Å; C466-V469 VanDerWaalsContact O-CG2 3.26Å; C466-V469 WeakPolarHBondContact O-CG2 3.34Å; V469-L471 VanDerWaalsContact C-N 3.33Å; V469-L471 PolarHBondContact O-N 3.49Å; V469-A472 PolarHBondContact O-N 3.43Å; V469-K473 WeakPolarHBondContact O-CB 3.26Å; V469-K473 PolarHBondContact O-N 3.02Å; V469-L504 HydrophobicContact CG2-CD1 4.21Å; V469-L504 HydrophobicContact CG2-CD2 4.49Å; V469-L504 HydrophobicContact CG2-CG 3.92Å; V469-I505 HydrophobicContact CG1-CG1 4.06Å; V469-C508 HydrophobicContact CG2-CB 3.52Å
470	W	85.3	Confident	87.8	Confident	48 Å²	48	48.1 Å²	48.1	18%	0.182	23%	0.232	C	C	.	.	H	α-helix	trans	-63.7	-40.9	178.1	80.1	-94.4	0	0	0	111.3	L440 S441 N442 L445 D467 A468 K473 W474	L440-W470 VanDerWaalsContact C-CZ2 3.47Å; L440-W470 HydrophobicContact CB-CH2 4.39Å; L440-W470 HydrophobicContact CB-CZ2 3.95Å; L440-W470 HydrophobicContact CD2-CH2 4.44Å; L440-W470 HydrophobicContact CG-CH2 4.37Å; L440-W470 HydrophobicContact CG-CZ2 4.34Å; L440-W470 WeakPolarHBondContact O-CZ2 3.48Å; L440-W470 PolarHBondContact O-NE1 3.31Å; L440-W470 VanDerWaalsContact O-NE1 3.13Å; S441-W470 WeakPolarHBondContact O-CH2 3.3Å; S441-W470 WeakPolarHBondContact O-CZ2 3.49Å; N442-W470 HydrophobicContact CB-CB 4.49Å; N442-W470 HydrophobicContact CB-CD2 3.66Å; N442-W470 HydrophobicContact CB-CE3 3.81Å; N442-W470 HydrophobicContact CB-CG 3.94Å; N442-W470 HydrophobicContact CB-CZ3 4.4Å; L445-W470 HydrophobicContact CB-CH2 4.25Å; L445-W470 HydrophobicContact CB-CZ3 4.26Å; L445-W470 HydrophobicContact CD1-CH2 3.93Å; L445-W470 HydrophobicContact CD1-CZ3 4.3Å; L445-W470 HydrophobicContact CG-CH2 4.2Å; D467-W470 PolarHBondContact O-NE1 3.39Å; A468-W470 PolarHBondContact O-N 3.31Å; W470-K473 PolarHBondContact O-N 2.83Å; W470-W474 HydrophobicContact CE3-CB 4.2Å; W470-W474 HydrophobicContact CZ3-CB 4.23Å; W470-W474 HydrophobicContact CZ3-CG 4.33Å; W470-W474 VanDerWaalsContact O-CB 3.22Å; W470-W474 WeakPolarHBondContact O-CB 3.32Å; W470-W474 PolarHBondContact O-N 3.48Å
471	L	87.1	Confident	87.4	Confident	6 Å²	6	48.1 Å²	48.1	3%	0.031	23%	0.232	C	C	.	.	H	α-helix	trans	-67.6	-44	-178.9	178.3	62.3	0	0	0	109.4	L445 L457 W462 A468 V469 W474 M475	L445-L471 HydrophobicContact CD1-CD1 4.22Å; L457-L471 HydrophobicContact CD1-CD1 4.13Å; W462-L471 HydrophobicContact CD2-CD2 4.5Å; W462-L471 HydrophobicContact CE3-CD2 4.17Å; W462-L471 HydrophobicContact CZ3-CD2 4.29Å; A468-L471 WeakPolarHBondContact O-CB 3.2Å; A468-L471 PolarHBondContact O-N 3.49Å; V469-L471 VanDerWaalsContact C-N 3.33Å; V469-L471 PolarHBondContact O-N 3.49Å; L471-W474 PolarHBondContact O-N 3.25Å; L471-M475 HydrophobicContact CD1-CG 4.18Å; L471-M475 HydrophobicContact CD1-SD 4.27Å; L471-M475 HydrophobicContact CG-CG 4.38Å; L471-M475 HydrophobicContact CG-SD 4.01Å; L471-M475 WeakPolarHBondContact O-CB 3.19Å; L471-M475 WeakPolarHBondContact O-CG 3.39Å; L471-M475 PolarHBondContact O-N 2.86Å
472	A	85.2	Confident	87.2	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.1	-49.6	175.6	0	0	0	0	0	110.9	A468 V469 W474 M475 R476 I497 M501 L504	A468-A472 PolarHBondContact O-N 3.21Å; V469-A472 PolarHBondContact O-N 3.43Å; A472-W474 PolarHBondContact O-N 3.42Å; A472-M475 PolarHBondContact O-N 3.36Å; A472-R476 PolarHBondContact O-N 3.11Å; A472-I497 HydrophobicContact CB-CG2 4.12Å; A472-M501 HydrophobicContact CB-CB 4.3Å; A472-M501 HydrophobicContact CB-CG 3.85Å; A472-L504 HydrophobicContact CB-CD2 4.12Å
473	K	85.4	Confident	87	Confident	105 Å²	105	50.6 Å²	50.6	46%	0.457	25%	0.246	S	C	.	.	H	α-helix	trans	-58.1	-45.7	174.7	-178.3	176.5	179.4	176.2	0	112.2	V469 W470 M475 R476 D477 I505	V469-K473 WeakPolarHBondContact O-CB 3.26Å; V469-K473 PolarHBondContact O-N 3.02Å; W470-K473 PolarHBondContact O-N 2.83Å; K473-M475 PolarHBondContact O-N 3.04Å; K473-R476 VanDerWaalsContact O-CB 3.29Å; K473-R476 WeakPolarHBondContact O-CB 3.21Å; K473-R476 PolarHBondContact O-N 3.24Å; K473-D477 VanDerWaalsContact O-CG 3.26Å; K473-D477 PolarHBondContact O-N 2.85Å; K473-D477 VanDerWaalsContact O-N 3.12Å; K473-I505 HydrophobicContact CB-CD1 4.42Å
474	W	85.4	Confident	87	Confident	26 Å²	26	50.6 Å²	50.6	10%	0.098	25%	0.248	C	C	.	.	H	α-helix	trans	-63.5	-42	179.9	-174.5	94	0	0	0	111.5	L445 L452 L455 W470 L471 A472 R476 D477 R478 I481 L482	L445-W474 HydrophobicContact CB-CZ2 4.43Å; L445-W474 HydrophobicContact CD1-CE3 4.27Å; L445-W474 HydrophobicContact CD1-CH2 4.22Å; L445-W474 HydrophobicContact CD1-CZ2 4.45Å; L445-W474 HydrophobicContact CD1-CZ3 4.14Å; L452-W474 HydrophobicContact CD2-CH2 4.31Å; L455-W474 HydrophobicContact CD2-CH2 3.39Å; L455-W474 HydrophobicContact CD2-CZ3 3.43Å; L455-W474 VanDerWaalsContact CD2-CZ3 3.43Å; W470-W474 HydrophobicContact CE3-CB 4.2Å; W470-W474 HydrophobicContact CZ3-CB 4.23Å; W470-W474 HydrophobicContact CZ3-CG 4.33Å; W470-W474 VanDerWaalsContact O-CB 3.22Å; W470-W474 WeakPolarHBondContact O-CB 3.32Å; W470-W474 PolarHBondContact O-N 3.48Å; L471-W474 PolarHBondContact O-N 3.25Å; A472-W474 PolarHBondContact O-N 3.42Å; W474-R476 VanDerWaalsContact C-N 3.33Å; W474-R476 PolarHBondContact O-N 3.26Å; W474-D477 PolarHBondContact O-N 3.26Å; W474-R478 HydrophobicContact CD2-CG 4.46Å; W474-R478 HydrophobicContact CZ2-CG 4.4Å; W474-R478 WeakPolarHBondContact O-CB 3.42Å; W474-R478 WeakPolarHBondContact O-CG 3.3Å; W474-R478 PolarHBondContact O-N 3.4Å; W474-R478 VanDerWaalsContact O-N 3.11Å; W474-I481 HydrophobicContact CH2-CD1 3.53Å; W474-I481 HydrophobicContact CH2-CG1 4.46Å; W474-I481 HydrophobicContact CZ2-CD1 4.02Å; W474-I481 HydrophobicContact CZ3-CD1 4.35Å; W474-L482 HydrophobicContact CZ3-CD2 4.46Å
475	M	86.3	Confident	86.8	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.02	26%	0.258	C	S	.	.	H	α-helix	trans	-64.6	-35.2	175.6	-72	176.2	70.3	0	0	112.4	L457 L471 A472 K473 R478 Q479 L482 T488 I497	L457-M475 HydrophobicContact CD1-SD 4.45Å; L471-M475 HydrophobicContact CD1-CG 4.18Å; L471-M475 HydrophobicContact CD1-SD 4.27Å; L471-M475 HydrophobicContact CG-CG 4.38Å; L471-M475 HydrophobicContact CG-SD 4.01Å; L471-M475 WeakPolarHBondContact O-CB 3.19Å; L471-M475 WeakPolarHBondContact O-CG 3.39Å; L471-M475 PolarHBondContact O-N 2.86Å; A472-M475 PolarHBondContact O-N 3.36Å; K473-M475 PolarHBondContact O-N 3.04Å; M475-R478 CarbonylContact O-C 3.59Å; M475-Q479 WeakPolarHBondContact O-CG 3.21Å; M475-Q479 PolarHBondContact O-N 3.33Å; M475-L482 HydrophobicContact CB-CD1 3.71Å; M475-L482 HydrophobicContact CE-CD1 3.78Å; M475-L482 HydrophobicContact CG-CD1 3.77Å; M475-L482 HydrophobicContact CG-CD2 4.5Å; M475-T488 HydrophobicContact CE-CG2 3.76Å; M475-T488 HydrophobicContact SD-CG2 4.39Å; M475-I497 HydrophobicContact CE-CB 4.47Å; M475-I497 HydrophobicContact SD-CB 4.43Å; M475-I497 HydrophobicContact SD-CG2 4.14Å
476	R	84.4	Confident	86.8	Confident	93 Å²	93	52.7 Å²	52.7	35%	0.351	27%	0.271	S	S	.	.	H	α-helix	trans	-60.1	-49.2	172.6	-167.8	175.7	60.6	-168.8	-3.8	112	A472 K473 W474 R478 Q479 M501 D502	A472-R476 PolarHBondContact O-N 3.11Å; K473-R476 VanDerWaalsContact O-CB 3.29Å; K473-R476 WeakPolarHBondContact O-CB 3.21Å; K473-R476 PolarHBondContact O-N 3.24Å; W474-R476 VanDerWaalsContact C-N 3.33Å; W474-R476 PolarHBondContact O-N 3.26Å; R476-R478 PolarHBondContact O-N 3.09Å; R476-Q479 WeakPolarHBondContact O-CG 3.4Å; R476-M501 HydrophobicContact CB-CE 3.65Å; R476-M501 HydrophobicContact CB-SD 3.43Å; R476-M501 WeakPolarHBondContact CB-SD 3.35Å; R476-M501 HydrophobicContact CG-CE 3.5Å; R476-M501 VanDerWaalsContact CG-CE 3.5Å; R476-M501 HydrophobicContact CG-SD 4.02Å; R476-D502 IonicContact NH1-OD1 3.16Å
477	D	86.3	Confident	87.1	Confident	91 Å²	91	53.8 Å²	53.8	49%	0.487	27%	0.274	S	S	.	.	H	α-helix	trans	-76.6	-13.1	-170.9	-61.4	-10.3	0	0	0	110.6	K473 W474	K473-D477 VanDerWaalsContact O-CG 3.26Å; K473-D477 PolarHBondContact O-N 2.85Å; K473-D477 VanDerWaalsContact O-N 3.12Å; W474-D477 PolarHBondContact O-N 3.26Å
478	R	85.7	Confident	87.5	Confident	52 Å²	52	48.7 Å²	48.7	20%	0.196	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.9	39.2	-175.9	-56.7	-63	-66.5	-89.4	-4.4	112.9	S449 L452 W474 M475 R476 E480 I481	S449-R478 VanDerWaalsContact O-CZ 3.3Å; S449-R478 PolarHBondContact O-NH1 2.88Å; S449-R478 PolarHBondContact O-NH2 2.88Å; L452-R478 PolarHBondContact O-NH2 3.32Å; W474-R478 HydrophobicContact CD2-CG 4.46Å; W474-R478 HydrophobicContact CZ2-CG 4.4Å; W474-R478 WeakPolarHBondContact O-CB 3.42Å; W474-R478 WeakPolarHBondContact O-CG 3.3Å; W474-R478 PolarHBondContact O-N 3.4Å; W474-R478 VanDerWaalsContact O-N 3.11Å; M475-R478 CarbonylContact O-C 3.59Å; R476-R478 PolarHBondContact O-N 3.09Å; R478-E480 IonicContact NE-OE1 3.74Å; R478-E480 PolarHBondContact NE-OE1 3.47Å; R478-E480 PolarHBondContact O-N 3Å; R478-I481 HydrophobicContact CB-CD1 3.89Å; R478-I481 HydrophobicContact CB-CG1 4.03Å; R478-I481 VanDerWaalsContact O-CG1 3.32Å; R478-I481 WeakPolarHBondContact O-CG1 3.46Å; R478-I481 PolarHBondContact O-N 2.62Å
479	Q	85.5	Confident	87.8	Confident	115 Å²	115	53.1 Å²	53.1	54%	0.537	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-61.2	-30.4	-177.9	-73.8	-178.5	-9.8	0	0	113.3	M475 R476 I481 L482	M475-Q479 WeakPolarHBondContact O-CG 3.21Å; M475-Q479 PolarHBondContact O-N 3.33Å; R476-Q479 WeakPolarHBondContact O-CG 3.4Å; Q479-I481 VanDerWaalsContact C-N 3.26Å; Q479-I481 PolarHBondContact O-N 2.61Å; Q479-L482 PolarHBondContact O-N 3.08Å
480	E	88.2	Confident	88.2	Confident	138 Å²	138	52.1 Å²	52.1	65%	0.645	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-66.2	-22.3	-176.4	67.6	-70.8	163.8	0	0	114.5	R478	R478-E480 IonicContact NE-OE1 3.74Å; R478-E480 PolarHBondContact NE-OE1 3.47Å; R478-E480 PolarHBondContact O-N 3Å
481	I	90.1	Very high	88.5	Confident	10 Å²	10	54.7 Å²	54.7	5%	0.051	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-95.2	-15.3	-179.2	73.4	176.9	0	0	0	112.5	L452 Y453 L454 L455 W474 R478 Q479 T483	L452-I481 HydrophobicContact CD2-CD1 4.08Å; L452-I481 HydrophobicContact CG-CD1 4.28Å; L452-I481 WeakPolarHBondContact O-CG2 3.48Å; Y453-I481 WeakPolarHBondContact O-CA 3.31Å; L454-I481 CarbonylContact C-O 3.3Å; L454-I481 WeakPolarHBondContact CA-O 3.22Å; L455-I481 PolarHBondContact N-O 3.21Å; W474-I481 HydrophobicContact CH2-CD1 3.53Å; W474-I481 HydrophobicContact CH2-CG1 4.46Å; W474-I481 HydrophobicContact CZ2-CD1 4.02Å; W474-I481 HydrophobicContact CZ3-CD1 4.35Å; R478-I481 HydrophobicContact CB-CD1 3.89Å; R478-I481 HydrophobicContact CB-CG1 4.03Å; R478-I481 VanDerWaalsContact O-CG1 3.32Å; R478-I481 WeakPolarHBondContact O-CG1 3.46Å; R478-I481 PolarHBondContact O-N 2.62Å; Q479-I481 VanDerWaalsContact C-N 3.26Å; Q479-I481 PolarHBondContact O-N 2.61Å; I481-T483 PolarHBondContact O-N 3.22Å
482	L	90.6	Very high	88.6	Confident	30 Å²	30	58.2 Å²	58.2	16%	0.157	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	115.2	-177	-70.2	167.8	0	0	0	110.6	L455 L457 W474 M475 Q479	L455-L482 HydrophobicContact CB-CD2 4.3Å; L455-L482 HydrophobicContact CD2-CD2 3.88Å; L455-L482 HydrophobicContact CG-CD2 4.12Å; L455-L482 WeakPolarHBondContact O-CA 3.46Å; L457-L482 HydrophobicContact CD1-CD2 4.27Å; W474-L482 HydrophobicContact CZ3-CD2 4.46Å; M475-L482 HydrophobicContact CB-CD1 3.71Å; M475-L482 HydrophobicContact CE-CD1 3.78Å; M475-L482 HydrophobicContact CG-CD1 3.77Å; M475-L482 HydrophobicContact CG-CD2 4.5Å; Q479-L482 PolarHBondContact O-N 3.08Å
483	T	91.7	Very high	88.6	Confident	48 Å²	48	59.9 Å²	59.9	29%	0.294	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	149.5	164.6	-176	0	0	0	0	109.4	L454 L455 D456 I481 G485	L454-T483 HydrophobicContact CD2-CG2 3.81Å; L454-T483 HydrophobicContact CG-CG2 4.41Å; L455-T483 WeakPolarHBondContact O-CG2 3.13Å; L455-T483 PolarHBondContact O-N 2.68Å; D456-T483 HydrophobicContact CB-CG2 3.46Å; D456-T483 VanDerWaalsContact CB-CG2 3.46Å; D456-T483 WeakPolarHBondContact OD2-CG2 3.43Å; I481-T483 PolarHBondContact O-N 3.22Å; T483-G485 PolarHBondContact O-N 3.2Å
484	N	90.7	Very high	88.7	Confident	77 Å²	77	58.8 Å²	58.8	41%	0.412	30%	0.302	S	S	.	.	S	Bend	trans	54.7	27	177.5	-59.8	-41.8	0	0	0	114.9	D456 A486 L487 T488	D456-N484 PolarHBondContact OD2-ND2 3.15Å; N484-A486 PolarHBondContact O-N 3.38Å; N484-L487 HydrophobicContact CB-CB 4.49Å; N484-L487 HydrophobicContact CB-CD1 4.29Å; N484-L487 WeakPolarHBondContact O-CA 3.42Å; N484-L487 WeakPolarHBondContact O-CB 3.28Å; N484-L487 PolarHBondContact O-N 3.25Å; N484-T488 PolarHBondContact O-N 3.3Å
485	G	86.9	Confident	88.9	Confident	20 Å²	20	59.4 Å²	59.4	21%	0.206	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-56.3	-27.1	-178.7	0	0	0	0	0	114.2	T483 L487 T488	T483-G485 PolarHBondContact O-N 3.2Å; G485-L487 PolarHBondContact O-N 3.35Å; G485-T488 WeakPolarHBondContact O-CB 3.38Å; G485-T488 PolarHBondContact O-N 3.18Å; G485-T488 VanDerWaalsContact O-N 3.1Å
486	A	87.1	Confident	89	Confident	52 Å²	52	62.4 Å²	62.4	43%	0.43	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-65.3	-16.4	173.3	0	0	0	0	0	114.6	N484 R489 Q496	N484-A486 PolarHBondContact O-N 3.38Å; A486-R489 PolarHBondContact O-NE 3.16Å; A486-Q496 VanDerWaalsContact CB-NE2 3.3Å; A486-Q496 WeakPolarHBondContact O-CG 3.33Å; A486-Q496 PolarHBondContact O-NE2 2.9Å
487	L	92.1	Very high	89.2	Confident	69 Å²	69	58.1 Å²	58.1	36%	0.361	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-104.6	-3.9	177	-57.7	180	0	0	0	111.9	D459 N484 G485 R489	D459-L487 PolarHBondContact N-O 3.18Å; N484-L487 HydrophobicContact CB-CB 4.49Å; N484-L487 HydrophobicContact CB-CD1 4.29Å; N484-L487 WeakPolarHBondContact O-CA 3.42Å; N484-L487 WeakPolarHBondContact O-CB 3.28Å; N484-L487 PolarHBondContact O-N 3.25Å; G485-L487 PolarHBondContact O-N 3.35Å; L487-R489 PolarHBondContact O-N 3.09Å
488	T	92.8	Very high	89	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.298	C	S	.	.			trans	-82.7	97.9	169	-49.3	0	0	0	0	108.9	L457 M475 N484 G485 I497	L457-T488 HydrophobicContact CB-CG2 4Å; M475-T488 HydrophobicContact CE-CG2 3.76Å; M475-T488 HydrophobicContact SD-CG2 4.39Å; N484-T488 PolarHBondContact O-N 3.3Å; G485-T488 WeakPolarHBondContact O-CB 3.38Å; G485-T488 PolarHBondContact O-N 3.18Å; G485-T488 VanDerWaalsContact O-N 3.1Å; T488-I497 HydrophobicContact CG2-CD1 3.81Å; T488-I497 HydrophobicContact CG2-CG1 4.28Å; T488-I497 PolarHBondContact O-N 3.37Å
489	R	92.3	Very high	89	Confident	108 Å²	108	56.4 Å²	56.4	41%	0.408	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-124.8	155.8	-168.9	-64.8	170	-176.6	-171.1	5.8	112	A486 L487 S494 V495 Q496	A486-R489 PolarHBondContact O-NE 3.16Å; L487-R489 PolarHBondContact O-N 3.09Å; R489-S494 WeakPolarHBondContact CD-O 3.34Å; R489-V495 CarbonylContact C-O 3.57Å; R489-V495 WeakPolarHBondContact CA-O 3.49Å; R489-V495 WeakPolarHBondContact CB-O 3.33Å; R489-Q496 HydrophobicContact CG-CG 4.31Å
490	C	92.5	Very high	88.9	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.014	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-73.2	137.2	170.7	-55.3	0	0	0	0	110.7	W462 C464 E492 S494 V495 I500	W462-C490 CarbonylContact O-C 3.4Å; W462-C490 VanDerWaalsContact O-CA 3.31Å; W462-C490 WeakPolarHBondContact O-CA 3.4Å; C464-C490 HydrophobicContact CB-CB 3.64Å; C464-C490 WeakPolarHBondContact CB-SG 3.27Å; C464-C490 WeakPolarHBondContact SG-CA 3.45Å; C464-C490 WeakPolarHBondContact SG-CB 3.38Å; C464-C490 CovalentContact SG-SG 2.02Å; C464-C490 PolarHBondContact SG-SG 3.1Å; C490-E492 VanDerWaalsContact C-N 3.32Å; C490-E492 PolarHBondContact O-N 3.2Å; C490-S494 WeakPolarHBondContact O-CA 3.47Å; C490-S494 PolarHBondContact O-N 3.06Å; C490-V495 PolarHBondContact N-O 3.04Å; C490-I500 WeakPolarHBondContact SG-CD1 3.28Å
491	E	92.7	Very high	88.6	Confident	102 Å²	102	44.8 Å²	44.8	48%	0.477	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-41.3	176.9	-176.7	173.5	-164.8	0	0	111.3	P461 W462 S493	P461-E491 HydrophobicContact CB-CB 4.21Å; P461-E491 HydrophobicContact CB-CG 4.12Å; W462-E491 PolarHBondContact O-N 3.02Å; E491-S493 PolarHBondContact O-N 3.42Å
492	E	88.5	Confident	88.2	Confident	81 Å²	81	49.1 Å²	49.1	38%	0.379	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-33.3	-170.5	-60.4	67.3	-137	0	0	113.4	H463 C464 C490 F519	H463-E492 IonicContact CE1-OE1 3.88Å; H463-E492 PolarHBondContact CE1-OE1 2.93Å; H463-E492 IonicContact CG-OE1 3.17Å; H463-E492 IonicContact ND1-OE1 3.28Å; H463-E492 PolarHBondContact ND1-OE1 3.01Å; H463-E492 IonicContact ND1-OE2 3.82Å; C464-E492 PolarHBondContact N-OE2 2.99Å; C490-E492 VanDerWaalsContact C-N 3.32Å; C490-E492 PolarHBondContact O-N 3.2Å; E492-F519 HydrophobicContact CB-CD2 4.29Å; E492-F519 HydrophobicContact CB-CE2 3.77Å; E492-F519 HydrophobicContact CB-CZ 4.21Å; E492-F519 HydrophobicContact CG-CE2 4.17Å
493	S	86	Confident	87.9	Confident	35 Å²	35	51 Å²	51	25%	0.245	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	-9.3	-169.7	58.3	0	0	0	0	113.4	E491 V495 F519	E491-S493 PolarHBondContact O-N 3.42Å; S493-V495 PolarHBondContact O-N 3.13Å; S493-V495 VanDerWaalsContact O-N 3.08Å; S493-V495 WeakPolarHBondContact OG-CB 3.4Å; S493-V495 PolarHBondContact OG-N 3.15Å; S493-F519 VanDerWaalsContact CB-CE1 3.42Å; S493-F519 WeakPolarHBondContact OG-CE1 3.24Å
494	S	86.6	Confident	87.5	Confident	82 Å²	82	48.7 Å²	48.7	57%	0.573	27%	0.274	S	S	*	.			trans	56	17.5	-170.3	-60	0	0	0	0	114	R489 C490	R489-S494 WeakPolarHBondContact CD-O 3.34Å; C490-S494 WeakPolarHBondContact O-CA 3.47Å; C490-S494 PolarHBondContact O-N 3.06Å
495	V	89.7	Confident	87.1	Confident	38 Å²	38	45.9 Å²	45.9	23%	0.23	26%	0.259	C	S	.	.			trans	-86.6	147.1	178.4	179.4	0	0	0	0	109.7	R489 C490 S493 I497 S499 I500	R489-V495 CarbonylContact C-O 3.57Å; R489-V495 WeakPolarHBondContact CA-O 3.49Å; R489-V495 WeakPolarHBondContact CB-O 3.33Å; C490-V495 PolarHBondContact N-O 3.04Å; S493-V495 PolarHBondContact O-N 3.13Å; S493-V495 VanDerWaalsContact O-N 3.08Å; S493-V495 WeakPolarHBondContact OG-CB 3.4Å; S493-V495 PolarHBondContact OG-N 3.15Å; V495-I497 PolarHBondContact O-N 3.22Å; V495-S499 WeakPolarHBondContact CG1-OG 3.16Å; V495-I500 HydrophobicContact CB-CG2 4.28Å; V495-I500 HydrophobicContact CG1-CG2 3.54Å
496	Q	88.4	Confident	87	Confident	67 Å²	67	51 Å²	51	31%	0.313	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-63.3	133.1	177.4	-66.3	172.9	-7.4	0	0	110.4	A486 R489 S498 S499 I500	A486-Q496 VanDerWaalsContact CB-NE2 3.3Å; A486-Q496 WeakPolarHBondContact O-CG 3.33Å; A486-Q496 PolarHBondContact O-NE2 2.9Å; R489-Q496 HydrophobicContact CG-CG 4.31Å; Q496-S498 PolarHBondContact O-N 3.23Å; Q496-S499 PolarHBondContact O-N 3.25Å; Q496-S499 PolarHBondContact O-OG 2.89Å; Q496-I500 PolarHBondContact O-N 3.46Å
497	I	88.2	Confident	86.7	Confident	3 Å²	3	50 Å²	50	2%	0.015	26%	0.263	C	S	.	.	H	α-helix	trans	-56	-42.1	178.9	-59	-172	0	0	0	110.3	W462 A472 M475 T488 V495 S499 I500 M501	W462-I497 HydrophobicContact CB-CD1 3.71Å; W462-I497 HydrophobicContact CG-CD1 3.77Å; A472-I497 HydrophobicContact CB-CG2 4.12Å; M475-I497 HydrophobicContact CE-CB 4.47Å; M475-I497 HydrophobicContact SD-CB 4.43Å; M475-I497 HydrophobicContact SD-CG2 4.14Å; T488-I497 HydrophobicContact CG2-CD1 3.81Å; T488-I497 HydrophobicContact CG2-CG1 4.28Å; T488-I497 PolarHBondContact O-N 3.37Å; V495-I497 PolarHBondContact O-N 3.22Å; I497-S499 PolarHBondContact O-N 3.13Å; I497-I500 PolarHBondContact O-N 3.13Å; I497-M501 WeakPolarHBondContact O-CB 3.42Å; I497-M501 PolarHBondContact O-N 2.77Å; I497-M501 VanDerWaalsContact O-N 3.09Å
498	S	83.7	Confident	86.3	Confident	45 Å²	45	47.9 Å²	47.9	32%	0.315	25%	0.253	S	S	.	.	H	α-helix	trans	-60.1	-25.3	178	55.3	0	0	0	0	114.1	Q496	Q496-S498 PolarHBondContact O-N 3.23Å
499	S	84.7	Confident	85.6	Confident	62 Å²	62	55 Å²	55	43%	0.434	29%	0.286	S	S	.	.	H	α-helix	trans	-86.8	-27.8	-177.6	67	0	0	0	0	114.1	V495 Q496 I497	V495-S499 WeakPolarHBondContact CG1-OG 3.16Å; Q496-S499 PolarHBondContact O-N 3.25Å; Q496-S499 PolarHBondContact O-OG 2.89Å; I497-S499 PolarHBondContact O-N 3.13Å
500	I	84	Confident	84.8	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-99.6	0.3	175.8	62.1	159.1	0	0	0	112.8	C464 C490 V495 Q496 I497 D502 D503 L504 F519 Y522	C464-I500 HydrophobicContact CB-CD1 3.92Å; C490-I500 WeakPolarHBondContact SG-CD1 3.28Å; V495-I500 HydrophobicContact CB-CG2 4.28Å; V495-I500 HydrophobicContact CG1-CG2 3.54Å; Q496-I500 PolarHBondContact O-N 3.46Å; I497-I500 PolarHBondContact O-N 3.13Å; I500-D502 PolarHBondContact O-N 2.87Å; I500-D503 PolarHBondContact O-N 2.81Å; I500-L504 WeakPolarHBondContact O-CB 3.39Å; I500-L504 PolarHBondContact O-N 3.37Å; I500-F519 HydrophobicContact CD1-CZ 4.49Å; I500-Y522 HydrophobicContact CG2-CE2 4.18Å
501	M	80.4	Confident	83.2	Confident	9 Å²	9	58.6 Å²	58.6	4%	0.044	31%	0.311	C	S	.	.	H	α-helix	trans	-54.3	-47.3	-172.3	173.1	171.1	74.3	0	0	113.6	A472 R476 I497 L504 I505	A472-M501 HydrophobicContact CB-CB 4.3Å; A472-M501 HydrophobicContact CB-CG 3.85Å; R476-M501 HydrophobicContact CB-CE 3.65Å; R476-M501 HydrophobicContact CB-SD 3.43Å; R476-M501 WeakPolarHBondContact CB-SD 3.35Å; R476-M501 HydrophobicContact CG-CE 3.5Å; R476-M501 VanDerWaalsContact CG-CE 3.5Å; R476-M501 HydrophobicContact CG-SD 4.02Å; I497-M501 WeakPolarHBondContact O-CB 3.42Å; I497-M501 PolarHBondContact O-N 2.77Å; I497-M501 VanDerWaalsContact O-N 3.09Å; M501-L504 PolarHBondContact O-N 3.2Å; M501-I505 HydrophobicContact CG-CD1 3.93Å; M501-I505 WeakPolarHBondContact O-CB 3.28Å; M501-I505 WeakPolarHBondContact O-CD1 3.48Å; M501-I505 WeakPolarHBondContact O-CG1 3.4Å; M501-I505 PolarHBondContact O-N 2.93Å
502	D	82.6	Confident	81.6	Confident	102 Å²	102	62.7 Å²	62.7	55%	0.545	34%	0.336	S	S	.	.	H	α-helix	trans	-68.8	-37.5	-179.5	-68.6	-32.9	0	0	0	111.6	R476 I500 F506	R476-D502 IonicContact NH1-OD1 3.16Å; I500-D502 PolarHBondContact O-N 2.87Å; D502-F506 VanDerWaalsContact O-CB 3.22Å; D502-F506 WeakPolarHBondContact O-CB 3.48Å; D502-F506 PolarHBondContact O-N 2.96Å
503	D	84.7	Confident	79.5	Confident	68 Å²	68	64.5 Å²	64.5	36%	0.364	35%	0.349	S	S	.	.	H	α-helix	trans	-64.8	-45.7	174.9	-69.4	-27.9	0	0	0	110.9	I500 F506 H507 M518 Y522	I500-D503 PolarHBondContact O-N 2.81Å; D503-F506 PolarHBondContact O-N 3.38Å; D503-H507 VanDerWaalsContact O-CB 3.32Å; D503-H507 WeakPolarHBondContact O-CB 3.31Å; D503-H507 PolarHBondContact O-N 3.14Å; D503-M518 HydrophobicContact CB-CE 4.02Å; D503-M518 HydrophobicContact CB-SD 3.84Å; D503-M518 WeakPolarHBondContact O-CE 3.4Å; D503-Y522 WeakPolarHBondContact OD2-CE2 3.48Å; D503-Y522 PolarHBondContact OD2-OH 3.01Å
504	L	82.8	Confident	77.7	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-59.2	-49.1	178.2	178.1	61.6	0	0	0	111.3	N465 A468 V469 A472 I500 M501 C508 Y515	N465-L504 WeakPolarHBondContact O-CD1 3.09Å; A468-L504 HydrophobicContact CB-CD2 4.44Å; V469-L504 HydrophobicContact CG2-CD1 4.21Å; V469-L504 HydrophobicContact CG2-CD2 4.49Å; V469-L504 HydrophobicContact CG2-CG 3.92Å; A472-L504 HydrophobicContact CB-CD2 4.12Å; I500-L504 WeakPolarHBondContact O-CB 3.39Å; I500-L504 PolarHBondContact O-N 3.37Å; M501-L504 PolarHBondContact O-N 3.2Å; L504-C508 WeakPolarHBondContact O-CB 3.39Å; L504-C508 PolarHBondContact O-N 2.92Å; L504-C508 VanDerWaalsContact O-N 3.09Å; L504-C508 PolarHBondContact O-SG 3.13Å; L504-Y515 HydrophobicContact CD1-CD2 4.04Å; L504-Y515 HydrophobicContact CD1-CE2 3.21Å; L504-Y515 WeakPolarHBondContact CD1-OH 3.34Å
505	I	81.8	Confident	75.8	Confident	18 Å²	18	65.8 Å²	65.8	9%	0.092	35%	0.349	C	S	.	.	H	α-helix	trans	-60.7	-51.9	177.1	-68.2	163	0	0	0	110.1	V469 K473 M501 H507 C508 E509	V469-I505 HydrophobicContact CG1-CG1 4.06Å; K473-I505 HydrophobicContact CB-CD1 4.42Å; M501-I505 HydrophobicContact CG-CD1 3.93Å; M501-I505 WeakPolarHBondContact O-CB 3.28Å; M501-I505 WeakPolarHBondContact O-CD1 3.48Å; M501-I505 WeakPolarHBondContact O-CG1 3.4Å; M501-I505 PolarHBondContact O-N 2.93Å; I505-H507 VanDerWaalsContact C-N 3.32Å; I505-H507 PolarHBondContact O-N 3.06Å; I505-C508 PolarHBondContact O-N 3.35Å; I505-E509 HydrophobicContact CG2-CG 4.31Å; I505-E509 WeakPolarHBondContact O-CB 3.36Å; I505-E509 WeakPolarHBondContact O-CG 3.3Å; I505-E509 PolarHBondContact O-N 3.42Å
506	F	84.5	Confident	73.9	Confident	128 Å²	128	68.4 Å²	68.4	56%	0.561	38%	0.375	S	S	*	.	H	α-helix	trans	-58.4	-43.5	-177.9	178.1	-98.3	0	0	0	112.3	D502 D503 Q510	D502-F506 VanDerWaalsContact O-CB 3.22Å; D502-F506 WeakPolarHBondContact O-CB 3.48Å; D502-F506 PolarHBondContact O-N 2.96Å; D503-F506 PolarHBondContact O-N 3.38Å; F506-Q510 VanDerWaalsContact O-CB 3.24Å; F506-Q510 WeakPolarHBondContact O-CB 3.36Å; F506-Q510 PolarHBondContact O-N 3.33Å
507	H	81.7	Confident	72.1	Confident	32 Å²	32	69.8 Å²	69.8	15%	0.148	39%	0.388	C	S	.	.	H	α-helix	trans	-69	-46.3	-178.6	-171.6	62	0	0	0	112.5	D503 I505 E509 Q510 T511 Y515 M518	D503-H507 VanDerWaalsContact O-CB 3.32Å; D503-H507 WeakPolarHBondContact O-CB 3.31Å; D503-H507 PolarHBondContact O-N 3.14Å; I505-H507 VanDerWaalsContact C-N 3.32Å; I505-H507 PolarHBondContact O-N 3.06Å; H507-E509 PolarHBondContact O-N 2.9Å; H507-Q510 PolarHBondContact O-N 2.85Å; H507-T511 PolarHBondContact O-N 2.8Å; H507-T511 PolarHBondContact O-OG1 2.88Å; H507-Y515 AromaticContact CD2-CD2 3.8Å; H507-M518 HydrophobicContact CB-CE 3.17Å
508	C	83.5	Confident	70.2	Confident	24 Å²	24	70.4 Å²	70.4	16%	0.162	39%	0.391	C	S	.	.	H	α-helix	trans	-73.5	-25.4	-177.5	-64	0	0	0	0	113.4	C466 V469 L504 I505	C466-C508 WeakPolarHBondContact CA-SG 3.38Å; C466-C508 HydrophobicContact CB-CB 3.68Å; C466-C508 WeakPolarHBondContact CB-SG 3.49Å; C466-C508 WeakPolarHBondContact SG-CB 3.39Å; C466-C508 CovalentContact SG-SG 2.04Å; C466-C508 PolarHBondContact SG-SG 3.46Å; V469-C508 HydrophobicContact CG2-CB 3.52Å; L504-C508 WeakPolarHBondContact O-CB 3.39Å; L504-C508 PolarHBondContact O-N 2.92Å; L504-C508 VanDerWaalsContact O-N 3.09Å; L504-C508 PolarHBondContact O-SG 3.13Å; I505-C508 PolarHBondContact O-N 3.35Å
509	E	79.2	Confident	68.5	Low	149 Å²	149	70 Å²	70	70%	0.696	38%	0.384	S	S	*	.	H	α-helix	trans	-76.8	-26.1	171.8	-71.8	-178.6	171.2	0	0	112.6	I505 H507	I505-E509 HydrophobicContact CG2-CG 4.31Å; I505-E509 WeakPolarHBondContact O-CB 3.36Å; I505-E509 WeakPolarHBondContact O-CG 3.3Å; I505-E509 PolarHBondContact O-N 3.42Å; H507-E509 PolarHBondContact O-N 2.9Å
510	Q	74.7	Confident	66.9	Low	134 Å²	134	69 Å²	69	63%	0.626	38%	0.384	S	S	*	.	H	α-helix	trans	-95	-24.4	-175	-159.5	172.9	45.4	0	0	113.7	F506 H507	F506-Q510 VanDerWaalsContact O-CB 3.24Å; F506-Q510 WeakPolarHBondContact O-CB 3.36Å; F506-Q510 PolarHBondContact O-N 3.33Å; H507-Q510 PolarHBondContact O-N 2.85Å
511	T	59.6	Low	65.2	Low	52 Å²	52	78.3 Å²	78.3	32%	0.319	42%	0.419	S	S	.	.			trans	-129	129.7	-178.5	56.7	0	0	0	0	111.8	H507 D513	H507-T511 PolarHBondContact O-N 2.8Å; H507-T511 PolarHBondContact O-OG1 2.88Å; T511-D513 PolarHBondContact O-N 3.01Å
512	N	57.7	Low	63.6	Low	187 Å²	187	81.7 Å²	81.7	100%	1	43%	0.432	S	S	*	.	S	Bend	trans	-76.3	27.2	172.6	-126.8	18.1	0	0	0	112.1
513	D	45.5	Very low	62	Low	120 Å²	120	84.2 Å²	84.2	64%	0.642	44%	0.44	S	S	*	.	S	Bend	trans	-129.8	163.7	-157.9	-123.7	-22.9	0	0	0	113.8	T511	T511-D513 PolarHBondContact O-N 3.01Å
514	T	46.9	Very low	60.2	Low	120 Å²	120	88.7 Å²	88.7	74%	0.736	46%	0.456	S	S	*	.			trans	-79.9	139.1	-171.5	48.2	0	0	0	0	114.7	A516	T514-A516 VanDerWaalsContact C-N 3.28Å; T514-A516 PolarHBondContact O-N 2.87Å
515	Y	48	Very low	58.6	Low	23 Å²	23	94.7 Å²	94.7	9%	0.09	49%	0.489	C	S	.	.	S	Bend	trans	-66.3	2.3	-161.5	-160.9	-108.2	0	0	0	118.2	C464 L504 H507 T517 M518 F519	C464-Y515 WeakPolarHBondContact O-CD1 3.35Å; C464-Y515 WeakPolarHBondContact O-CE1 3.45Å; C464-Y515 VanDerWaalsContact O-CZ 3.27Å; L504-Y515 HydrophobicContact CD1-CD2 4.04Å; L504-Y515 HydrophobicContact CD1-CE2 3.21Å; L504-Y515 WeakPolarHBondContact CD1-OH 3.34Å; H507-Y515 AromaticContact CD2-CD2 3.8Å; Y515-T517 PolarHBondContact O-N 3.16Å; Y515-M518 HydrophobicContact CE1-CB 4.31Å; Y515-M518 HydrophobicContact CE1-SD 4.48Å; Y515-M518 HydrophobicContact CE2-CB 4.21Å; Y515-M518 HydrophobicContact CE2-CE 3.65Å; Y515-M518 HydrophobicContact CE2-SD 3.76Å; Y515-M518 VanDerWaalsContact CZ-SD 3.53Å; Y515-M518 PolarHBondContact O-N 3.11Å; Y515-M518 PolarHBondContact OH-SD 3.47Å; Y515-F519 HydrophobicContact CD1-CD2 4.29Å; Y515-F519 AromaticContact CD1-CE2 3.88Å; Y515-F519 HydrophobicContact CD1-CE2 3.88Å; Y515-F519 AromaticContact CE1-CD2 3.98Å; Y515-F519 HydrophobicContact CE1-CD2 3.98Å; Y515-F519 AromaticContact CE1-CE2 3.33Å; Y515-F519 HydrophobicContact CE1-CE2 3.33Å; Y515-F519 AromaticContact CE1-CZ 3.71Å; Y515-F519 HydrophobicContact CE1-CZ 3.71Å
516	A	48.4	Very low	57.4	Low	94 Å²	94	97.8 Å²	97.8	78%	0.777	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-10.5	-171.1	0	0	0	0	0	114.8	T514	T514-A516 VanDerWaalsContact C-N 3.28Å; T514-A516 PolarHBondContact O-N 2.87Å
517	T	50.4	Low	56.5	Low	95 Å²	95	99.9 Å²	99.9	58%	0.583	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-11	-175.9	55.7	0	0	0	0	115.3	Y515	Y515-T517 PolarHBondContact O-N 3.16Å
518	M	48.2	Very low	56	Low	16 Å²	16	108 Å²	108	8%	0.079	54%	0.54	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-46	-177.7	-166.1	-178.4	-76.6	0	0	113.2	D503 H507 Y515 G520 R521	D503-M518 HydrophobicContact CB-CE 4.02Å; D503-M518 HydrophobicContact CB-SD 3.84Å; D503-M518 WeakPolarHBondContact O-CE 3.4Å; H507-M518 HydrophobicContact CB-CE 3.17Å; Y515-M518 HydrophobicContact CE1-CB 4.31Å; Y515-M518 HydrophobicContact CE1-SD 4.48Å; Y515-M518 HydrophobicContact CE2-CB 4.21Å; Y515-M518 HydrophobicContact CE2-CE 3.65Å; Y515-M518 HydrophobicContact CE2-SD 3.76Å; Y515-M518 VanDerWaalsContact CZ-SD 3.53Å; Y515-M518 PolarHBondContact O-N 3.11Å; Y515-M518 PolarHBondContact OH-SD 3.47Å; M518-G520 VanDerWaalsContact C-N 3.27Å; M518-G520 PolarHBondContact O-N 3.41Å; M518-R521 WeakPolarHBondContact O-CB 3.24Å; M518-R521 PolarHBondContact O-N 3.21Å
519	F	49.4	Very low	55.6	Low	36 Å²	36	112.3 Å²	112.3	16%	0.158	56%	0.56	C	S	.	*	H	α-helix	trans	-71.9	-20.1	-176.9	-67.2	-60.8	0	0	0	114.2	E492 S493 I500 Y515 R521 Y522 E523	E492-F519 HydrophobicContact CB-CD2 4.29Å; E492-F519 HydrophobicContact CB-CE2 3.77Å; E492-F519 HydrophobicContact CB-CZ 4.21Å; E492-F519 HydrophobicContact CG-CE2 4.17Å; S493-F519 VanDerWaalsContact CB-CE1 3.42Å; S493-F519 WeakPolarHBondContact OG-CE1 3.24Å; I500-F519 HydrophobicContact CD1-CZ 4.49Å; Y515-F519 HydrophobicContact CD1-CD2 4.29Å; Y515-F519 AromaticContact CD1-CE2 3.88Å; Y515-F519 HydrophobicContact CD1-CE2 3.88Å; Y515-F519 AromaticContact CE1-CD2 3.98Å; Y515-F519 HydrophobicContact CE1-CD2 3.98Å; Y515-F519 AromaticContact CE1-CE2 3.33Å; Y515-F519 HydrophobicContact CE1-CE2 3.33Å; Y515-F519 AromaticContact CE1-CZ 3.71Å; Y515-F519 HydrophobicContact CE1-CZ 3.71Å; F519-R521 PolarHBondContact O-N 2.85Å; F519-R521 VanDerWaalsContact O-N 3.08Å; F519-Y522 PolarHBondContact O-N 3.09Å; F519-Y522 VanDerWaalsContact O-N 3.15Å; F519-E523 PolarHBondContact O-N 2.81Å; F519-E523 VanDerWaalsContact O-N 3.08Å
520	G	50.9	Low	55.6	Low	42 Å²	42	108.6 Å²	108.6	43%	0.433	55%	0.551	S	S	.	*	H	α-helix	trans	-61.3	-11.1	165.9	0	0	0	0	0	113.9	M518 K524	M518-G520 VanDerWaalsContact C-N 3.27Å; M518-G520 PolarHBondContact O-N 3.41Å; G520-K524 WeakPolarHBondContact O-CB 3.14Å
521	R	48.1	Very low	55.9	Low	195 Å²	195	105.1 Å²	105.1	74%	0.736	54%	0.539	S	S	*	.	H	α-helix	trans	-93.1	-34	170.7	-67.7	-171.9	-169.5	-171.5	4.4	113.7	M518 F519 N525	M518-R521 WeakPolarHBondContact O-CB 3.24Å; M518-R521 PolarHBondContact O-N 3.21Å; F519-R521 PolarHBondContact O-N 2.85Å; F519-R521 VanDerWaalsContact O-N 3.08Å; R521-N525 PolarHBondContact O-N 3.13Å
522	Y	47.7	Very low	57.2	Low	81 Å²	81	107.8 Å²	107.8	32%	0.318	55%	0.55	S	S	.	*	H	α-helix	trans	-74.6	-45.2	178.3	-85.4	-84.5	0	0	0	111.5	I500 D503 F519 K524 N525	I500-Y522 HydrophobicContact CG2-CE2 4.18Å; D503-Y522 WeakPolarHBondContact OD2-CE2 3.48Å; D503-Y522 PolarHBondContact OD2-OH 3.01Å; F519-Y522 PolarHBondContact O-N 3.09Å; F519-Y522 VanDerWaalsContact O-N 3.15Å; Y522-K524 PolarHBondContact O-N 3.36Å; Y522-N525 PolarHBondContact O-N 2.95Å
523	E	47.8	Very low	58.5	Low	154 Å²	154	100.7 Å²	100.7	72%	0.72	52%	0.521	S	S	*	.	H	α-helix	trans	-63.8	-27.9	174.3	-78.1	-168.9	152.9	0	0	112.8	F519 Y527	F519-E523 PolarHBondContact O-N 2.81Å; F519-E523 VanDerWaalsContact O-N 3.08Å; E523-Y527 WeakPolarHBondContact O-CD2 3.39Å; E523-Y527 WeakPolarHBondContact O-CE2 3.49Å
524	K	47.1	Very low	60.7	Low	163 Å²	163	100 Å²	100	71%	0.709	52%	0.516	S	S	*	.	H	α-helix	trans	-82.8	-19.4	-174.2	-151.2	172.4	-168.3	177.9	0	113.4	G520 Y522	G520-K524 WeakPolarHBondContact O-CB 3.14Å; Y522-K524 PolarHBondContact O-N 3.36Å
525	N	48.8	Very low	62.9	Low	126 Å²	126	98.5 Å²	98.5	67%	0.674	50%	0.503	S	S	*	.	H	α-helix	trans	-98.2	-12.4	178.2	-86	-4.3	0	0	0	114.6	R521 Y522	R521-N525 PolarHBondContact O-N 3.13Å; Y522-N525 PolarHBondContact O-N 2.95Å
526	D	56.7	Low	65	Low	83 Å²	83	102.5 Å²	102.5	44%	0.444	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-7.2	-177.8	-87	-1.6	0	0	0	115.4	W528 I529 S530	D526-W528 PolarHBondContact O-N 2.79Å; D526-I529 PolarHBondContact O-N 3.26Å; D526-I529 VanDerWaalsContact O-N 3.15Å; D526-I529 WeakPolarHBondContact OD1-CD1 3.44Å; D526-S530 PolarHBondContact O-N 3.04Å; D526-S530 PolarHBondContact O-OG 3.41Å
527	Y	66.9	Low	67.1	Low	172 Å²	172	101 Å²	101	68%	0.675	51%	0.513	S	S	*	.	H	α-helix	trans	-57.4	-40	173.5	-83.3	-83.5	0	0	0	111.7	E523 S530 V531	E523-Y527 WeakPolarHBondContact O-CD2 3.39Å; E523-Y527 WeakPolarHBondContact O-CE2 3.49Å; Y527-S530 PolarHBondContact O-N 3.17Å; Y527-V531 WeakPolarHBondContact O-CB 3.07Å; Y527-V531 WeakPolarHBondContact O-CG2 3.48Å; Y527-V531 PolarHBondContact O-N 3.42Å
528	W	70.3	Confident	69.2	Low	203 Å²	203	100.8 Å²	100.8	77%	0.769	51%	0.507	S	S	*	.	H	α-helix	trans	-70	-33.4	178.3	-72.6	104.3	0	0	0	112.8	D526 V531 L532	D526-W528 PolarHBondContact O-N 2.79Å; W528-V531 PolarHBondContact O-N 2.98Å; W528-L532 VanDerWaalsContact O-CB 3.25Å; W528-L532 WeakPolarHBondContact O-CB 3.15Å; W528-L532 PolarHBondContact O-N 3.45Å
529	I	75.2	Confident	71.4	Confident	113 Å²	113	103.2 Å²	103.2	58%	0.579	52%	0.523	S	S	*	.	H	α-helix	trans	-67.5	-42.9	174.9	-58.1	-174.3	0	0	0	110.2	D526 L532 G533	D526-I529 PolarHBondContact O-N 3.26Å; D526-I529 VanDerWaalsContact O-N 3.15Å; D526-I529 WeakPolarHBondContact OD1-CD1 3.44Å; I529-L532 PolarHBondContact O-N 3.38Å; I529-G533 PolarHBondContact O-N 2.84Å
530	S	78.3	Confident	73.5	Confident	71 Å²	71	104.7 Å²	104.7	50%	0.497	54%	0.538	S	S	.	.	H	α-helix	trans	-62.8	-43.7	175.2	-62.3	0	0	0	0	111.6	D526 Y527 G533 I534	D526-S530 PolarHBondContact O-N 3.04Å; D526-S530 PolarHBondContact O-OG 3.41Å; Y527-S530 PolarHBondContact O-N 3.17Å; S530-G533 PolarHBondContact O-N 3.32Å; S530-I534 VanDerWaalsContact O-CG1 3.25Å; S530-I534 WeakPolarHBondContact O-CG1 3.38Å; S530-I534 PolarHBondContact O-N 3.46Å
531	V	81.8	Confident	75.6	Confident	62 Å²	62	108.8 Å²	108.8	38%	0.376	55%	0.549	S	S	.	.	H	α-helix	trans	-62.5	-43.6	174.4	169.2	0	0	0	0	110.9	Y527 W528 G533 I534 I535	Y527-V531 WeakPolarHBondContact O-CB 3.07Å; Y527-V531 WeakPolarHBondContact O-CG2 3.48Å; Y527-V531 PolarHBondContact O-N 3.42Å; W528-V531 PolarHBondContact O-N 2.98Å; V531-G533 VanDerWaalsContact C-N 3.35Å; V531-G533 PolarHBondContact O-N 3.15Å; V531-I534 PolarHBondContact O-N 2.78Å; V531-I535 HydrophobicContact CG1-CD1 3.69Å; V531-I535 HydrophobicContact CG1-CG1 4.37Å; V531-I535 WeakPolarHBondContact O-CB 3.32Å; V531-I535 WeakPolarHBondContact O-CG1 3.49Å; V531-I535 PolarHBondContact O-N 3.49Å
532	L	86.4	Confident	77.8	Confident	107 Å²	107	104.7 Å²	104.7	56%	0.56	54%	0.541	S	S	*	.	H	α-helix	trans	-63.8	-40.9	177.1	-158	88.1	0	0	0	111.3	W528 I529 I535 L536	W528-L532 VanDerWaalsContact O-CB 3.25Å; W528-L532 WeakPolarHBondContact O-CB 3.15Å; W528-L532 PolarHBondContact O-N 3.45Å; I529-L532 PolarHBondContact O-N 3.38Å; L532-I535 PolarHBondContact O-N 3.34Å; L532-L536 HydrophobicContact CD2-CD1 4.28Å; L532-L536 HydrophobicContact CG-CD1 4.31Å; L532-L536 WeakPolarHBondContact O-CB 3.22Å; L532-L536 VanDerWaalsContact O-CG 3.28Å; L532-L536 WeakPolarHBondContact O-CG 3.49Å; L532-L536 PolarHBondContact O-N 3.1Å
533	G	86.1	Confident	80	Confident	38 Å²	38	105.2 Å²	105.2	39%	0.392	55%	0.548	S	S	.	.	H	α-helix	trans	-63	-42.8	175.1	0	0	0	0	0	112.5	I529 S530 V531 L536 A537	I529-G533 PolarHBondContact O-N 2.84Å; S530-G533 PolarHBondContact O-N 3.32Å; V531-G533 VanDerWaalsContact C-N 3.35Å; V531-G533 PolarHBondContact O-N 3.15Å; G533-L536 PolarHBondContact O-N 3.46Å; G533-A537 WeakPolarHBondContact O-CB 3.16Å; G533-A537 PolarHBondContact O-N 3.4Å
534	I	91.6	Very high	82.1	Confident	105 Å²	105	103.2 Å²	103.2	54%	0.538	54%	0.542	S	S	.	.	H	α-helix	trans	-65	-43.9	174.2	-68.1	165.1	0	0	0	110.7	S530 V531 A537 I538	S530-I534 VanDerWaalsContact O-CG1 3.25Å; S530-I534 WeakPolarHBondContact O-CG1 3.38Å; S530-I534 PolarHBondContact O-N 3.46Å; V531-I534 PolarHBondContact O-N 2.78Å; I534-A537 PolarHBondContact O-N 2.99Å; I534-I538 HydrophobicContact CG2-CD1 3.8Å; I534-I538 HydrophobicContact CG2-CG1 4.47Å; I534-I538 VanDerWaalsContact O-CG1 3.26Å; I534-I538 WeakPolarHBondContact O-CG1 3.5Å; I534-I538 PolarHBondContact O-N 3.28Å
535	I	92.2	Very high	84.2	Confident	89 Å²	89	98.1 Å²	98.1	46%	0.456	53%	0.531	S	S	.	.	H	α-helix	trans	-61.4	-46.4	176.2	-69.9	166.7	0	0	0	110.4	V531 L532 A537 I538 V539	V531-I535 HydrophobicContact CG1-CD1 3.69Å; V531-I535 HydrophobicContact CG1-CG1 4.37Å; V531-I535 WeakPolarHBondContact O-CB 3.32Å; V531-I535 WeakPolarHBondContact O-CG1 3.49Å; V531-I535 PolarHBondContact O-N 3.49Å; L532-I535 PolarHBondContact O-N 3.34Å; I535-A537 VanDerWaalsContact C-N 3.34Å; I535-A537 PolarHBondContact O-N 3.19Å; I535-I538 PolarHBondContact O-N 3.08Å; I535-V539 HydrophobicContact CG2-CG2 4.24Å; I535-V539 WeakPolarHBondContact O-CB 3.5Å; I535-V539 VanDerWaalsContact O-CG2 3.25Å; I535-V539 WeakPolarHBondContact O-CG2 3.2Å; I535-V539 PolarHBondContact O-N 2.9Å
536	L	93.5	Very high	86.1	Confident	108 Å²	108	94.6 Å²	94.6	57%	0.565	52%	0.518	S	S	*	.	H	α-helix	trans	-61.9	-40.8	177.5	-78.5	165.8	0	0	0	111.7	L532 G533 V539 S540	L532-L536 HydrophobicContact CD2-CD1 4.28Å; L532-L536 HydrophobicContact CG-CD1 4.31Å; L532-L536 WeakPolarHBondContact O-CB 3.22Å; L532-L536 VanDerWaalsContact O-CG 3.28Å; L532-L536 WeakPolarHBondContact O-CG 3.49Å; L532-L536 PolarHBondContact O-N 3.1Å; G533-L536 PolarHBondContact O-N 3.46Å; L536-V539 PolarHBondContact O-N 2.82Å; L536-S540 VanDerWaalsContact O-CB 3.28Å; L536-S540 WeakPolarHBondContact O-CB 3.21Å; L536-S540 PolarHBondContact O-N 3Å
537	A	91.9	Very high	87.5	Confident	61 Å²	61	94.3 Å²	94.3	50%	0.504	52%	0.516	S	S	.	.	H	α-helix	trans	-63.4	-44.2	175	0	0	0	0	0	111.9	G533 I534 I535 S540 L541	G533-A537 WeakPolarHBondContact O-CB 3.16Å; G533-A537 PolarHBondContact O-N 3.4Å; I534-A537 PolarHBondContact O-N 2.99Å; I535-A537 VanDerWaalsContact C-N 3.34Å; I535-A537 PolarHBondContact O-N 3.19Å; A537-S540 PolarHBondContact O-N 3.49Å; A537-L541 WeakPolarHBondContact O-CB 3.32Å; A537-L541 PolarHBondContact O-N 3.32Å
538	I	94.7	Very high	88.4	Confident	92 Å²	92	88.5 Å²	88.5	47%	0.472	50%	0.504	S	S	.	.	H	α-helix	trans	-63.7	-45.6	176.4	-68.7	167.3	0	0	0	110.8	I534 I535 S540 L541 L542	I534-I538 HydrophobicContact CG2-CD1 3.8Å; I534-I538 HydrophobicContact CG2-CG1 4.47Å; I534-I538 VanDerWaalsContact O-CG1 3.26Å; I534-I538 WeakPolarHBondContact O-CG1 3.5Å; I534-I538 PolarHBondContact O-N 3.28Å; I535-I538 PolarHBondContact O-N 3.08Å; I538-S540 VanDerWaalsContact C-N 3.35Å; I538-S540 PolarHBondContact O-N 2.95Å; I538-L541 PolarHBondContact O-N 3.22Å; I538-L542 HydrophobicContact CG2-CD1 4.03Å; I538-L542 HydrophobicContact CG2-CG 4.43Å; I538-L542 WeakPolarHBondContact O-CB 3.28Å; I538-L542 WeakPolarHBondContact O-CG 3.34Å; I538-L542 PolarHBondContact O-N 3.25Å
539	V	94.1	Very high	89.1	Confident	67 Å²	67	84.6 Å²	84.6	41%	0.406	49%	0.492	S	S	.	.	H	α-helix	trans	-61.3	-44.2	177.5	169.7	0	0	0	0	110.7	I535 L536 L541 L542 I543	I535-V539 HydrophobicContact CG2-CG2 4.24Å; I535-V539 WeakPolarHBondContact O-CB 3.5Å; I535-V539 VanDerWaalsContact O-CG2 3.25Å; I535-V539 WeakPolarHBondContact O-CG2 3.2Å; I535-V539 PolarHBondContact O-N 2.9Å; L536-V539 PolarHBondContact O-N 2.82Å; V539-L541 VanDerWaalsContact C-N 3.35Å; V539-L541 PolarHBondContact O-N 2.92Å; V539-L542 PolarHBondContact O-N 3.31Å; V539-I543 HydrophobicContact CG1-CD1 3.82Å; V539-I543 HydrophobicContact CG1-CG1 4.44Å; V539-I543 VanDerWaalsContact O-CG1 3.28Å; V539-I543 WeakPolarHBondContact O-CG1 3.48Å; V539-I543 PolarHBondContact O-N 3.12Å
540	S	93.5	Very high	89.3	Confident	67 Å²	67	83.8 Å²	83.8	47%	0.469	49%	0.489	S	S	.	.	H	α-helix	trans	-63.6	-40.4	177.7	-154.2	0	0	0	0	111.8	L536 A537 I538 I543 L544	L536-S540 VanDerWaalsContact O-CB 3.28Å; L536-S540 WeakPolarHBondContact O-CB 3.21Å; L536-S540 PolarHBondContact O-N 3Å; A537-S540 PolarHBondContact O-N 3.49Å; I538-S540 VanDerWaalsContact C-N 3.35Å; I538-S540 PolarHBondContact O-N 2.95Å; S540-I543 PolarHBondContact O-N 3.37Å; S540-L544 WeakPolarHBondContact O-CG 3.24Å; S540-L544 PolarHBondContact O-N 2.79Å
541	L	94.8	Very high	89.3	Confident	127 Å²	127	87.6 Å²	87.6	67%	0.665	50%	0.497	S	S	*	.	H	α-helix	trans	-64.4	-40.5	174.7	-158.4	101.7	0	0	0	112	A537 I538 V539 L544 A545	A537-L541 WeakPolarHBondContact O-CB 3.32Å; A537-L541 PolarHBondContact O-N 3.32Å; I538-L541 PolarHBondContact O-N 3.22Å; V539-L541 VanDerWaalsContact C-N 3.35Å; V539-L541 PolarHBondContact O-N 2.92Å; L541-L544 PolarHBondContact O-N 2.72Å; L541-A545 WeakPolarHBondContact O-CB 3.46Å; L541-A545 PolarHBondContact O-N 3.5Å
542	L	94.2	Very high	89.1	Confident	110 Å²	110	89.2 Å²	89.2	58%	0.576	50%	0.502	S	S	*	.	H	α-helix	trans	-66.7	-39.1	175.7	-72.9	172.8	0	0	0	112.1	I538 V539 A545 A546	I538-L542 HydrophobicContact CG2-CD1 4.03Å; I538-L542 HydrophobicContact CG2-CG 4.43Å; I538-L542 WeakPolarHBondContact O-CB 3.28Å; I538-L542 WeakPolarHBondContact O-CG 3.34Å; I538-L542 PolarHBondContact O-N 3.25Å; V539-L542 PolarHBondContact O-N 3.31Å; L542-A545 PolarHBondContact O-N 3.16Å; L542-A546 WeakPolarHBondContact O-CB 3.35Å; L542-A546 PolarHBondContact O-N 3.13Å
543	I	93.6	Very high	88.5	Confident	92 Å²	92	88.6 Å²	88.6	47%	0.472	50%	0.496	S	S	.	.	H	α-helix	trans	-63.2	-46	174.3	-69.7	166.2	0	0	0	110.1	V539 S540 A545 A546 I547	V539-I543 HydrophobicContact CG1-CD1 3.82Å; V539-I543 HydrophobicContact CG1-CG1 4.44Å; V539-I543 VanDerWaalsContact O-CG1 3.28Å; V539-I543 WeakPolarHBondContact O-CG1 3.48Å; V539-I543 PolarHBondContact O-N 3.12Å; S540-I543 PolarHBondContact O-N 3.37Å; I543-A545 VanDerWaalsContact C-N 3.34Å; I543-A545 PolarHBondContact O-N 3.36Å; I543-A546 PolarHBondContact O-N 2.95Å; I543-I547 HydrophobicContact CG2-CD1 3.8Å; I543-I547 HydrophobicContact CG2-CG1 4.41Å; I543-I547 VanDerWaalsContact O-CG1 3.29Å; I543-I547 WeakPolarHBondContact O-CG1 3.34Å; I543-I547 PolarHBondContact O-N 3.23Å
544	L	92.8	Very high	87.4	Confident	111 Å²	111	90.7 Å²	90.7	58%	0.581	50%	0.499	S	S	*	.	H	α-helix	trans	-62.3	-40.8	176.2	-74.8	170.7	0	0	0	112	S540 L541 I547 A548	S540-L544 WeakPolarHBondContact O-CG 3.24Å; S540-L544 PolarHBondContact O-N 2.79Å; L541-L544 PolarHBondContact O-N 2.72Å; L544-I547 PolarHBondContact O-N 2.9Å; L544-A548 PolarHBondContact O-N 3.43Å; L544-A548 WeakPolarHBondContact O-CB 3.31Å
545	A	91.3	Very high	86.1	Confident	57 Å²	57	87.1 Å²	87.1	47%	0.471	49%	0.488	S	S	.	.	H	α-helix	trans	-64.4	-39.2	174.6	0	0	0	0	0	112.1	L541 L542 I543 A548 F549	L541-A545 WeakPolarHBondContact O-CB 3.46Å; L541-A545 PolarHBondContact O-N 3.5Å; L542-A545 PolarHBondContact O-N 3.16Å; I543-A545 VanDerWaalsContact C-N 3.34Å; I543-A545 PolarHBondContact O-N 3.36Å; A545-A548 PolarHBondContact O-N 3.31Å; A545-F549 WeakPolarHBondContact O-CB 3.36Å; A545-F549 PolarHBondContact O-N 2.99Å
546	A	88.8	Confident	84.5	Confident	51 Å²	51	91.8 Å²	91.8	42%	0.421	50%	0.5	S	S	.	.	H	α-helix	trans	-66.6	-43.8	175.6	0	0	0	0	0	111.8	L542 I543 A548 F549 L550	L542-A546 WeakPolarHBondContact O-CB 3.35Å; L542-A546 PolarHBondContact O-N 3.13Å; I543-A546 PolarHBondContact O-N 2.95Å; A546-A548 PolarHBondContact O-N 3.08Å; A546-F549 PolarHBondContact O-N 3.38Å; A546-L550 WeakPolarHBondContact O-CG 3.29Å; A546-L550 PolarHBondContact O-N 3.21Å
547	I	85.9	Confident	82.5	Confident	77 Å²	77	91.5 Å²	91.5	40%	0.395	50%	0.498	S	S	.	.	H	α-helix	trans	-60	-46.4	173.7	-68.4	167.1	0	0	0	110	I543 L544 F549 L550 F551	I543-I547 HydrophobicContact CG2-CD1 3.8Å; I543-I547 HydrophobicContact CG2-CG1 4.41Å; I543-I547 VanDerWaalsContact O-CG1 3.29Å; I543-I547 WeakPolarHBondContact O-CG1 3.34Å; I543-I547 PolarHBondContact O-N 3.23Å; L544-I547 PolarHBondContact O-N 2.9Å; I547-F549 VanDerWaalsContact C-N 3.32Å; I547-F549 PolarHBondContact O-N 3.33Å; I547-L550 PolarHBondContact O-N 3.25Å; I547-F551 HydrophobicContact CG2-CD2 3.75Å; I547-F551 HydrophobicContact CG2-CE2 3.79Å; I547-F551 WeakPolarHBondContact O-CD2 3Å; I547-F551 PolarHBondContact O-N 2.95Å
548	A	84.8	Confident	80.5	Confident	50 Å²	50	94 Å²	94	41%	0.413	50%	0.502	S	S	.	.	H	α-helix	trans	-61.4	-39.9	176.6	0	0	0	0	0	112.2	L544 A545 A546 F551 I552	L544-A548 PolarHBondContact O-N 3.43Å; L544-A548 WeakPolarHBondContact O-CB 3.31Å; A545-A548 PolarHBondContact O-N 3.31Å; A546-A548 PolarHBondContact O-N 3.08Å; A548-F551 PolarHBondContact O-N 3.23Å; A548-I552 PolarHBondContact O-N 3.29Å; A548-I552 WeakPolarHBondContact O-CG1 3.19Å; A548-I552 VanDerWaalsContact O-CG1 3.28Å
549	F	85	Confident	78.4	Confident	121 Å²	121	100 Å²	100	53%	0.531	52%	0.519	S	S	.	.	H	α-helix	trans	-65.2	-41.3	175.6	-175.4	-95.6	0	0	0	112.2	A545 A546 I547 I552 Q553	A545-F549 WeakPolarHBondContact O-CB 3.36Å; A545-F549 PolarHBondContact O-N 2.99Å; A546-F549 PolarHBondContact O-N 3.38Å; I547-F549 VanDerWaalsContact C-N 3.32Å; I547-F549 PolarHBondContact O-N 3.33Å; F549-I552 PolarHBondContact O-N 3.23Å; F549-Q553 HydrophobicContact CD1-CG 4.31Å; F549-Q553 HydrophobicContact CE1-CG 3.83Å; F549-Q553 HydrophobicContact CZ-CG 4.13Å; F549-Q553 PolarHBondContact O-N 2.85Å
550	L	80.3	Confident	76.3	Confident	96 Å²	96	104 Å²	104	50%	0.503	53%	0.534	S	S	.	.	H	α-helix	trans	-61.2	-45.1	173.3	-72	171.5	0	0	0	111	A546 I547 I552 Q553 D554	A546-L550 WeakPolarHBondContact O-CG 3.29Å; A546-L550 PolarHBondContact O-N 3.21Å; I547-L550 PolarHBondContact O-N 3.25Å; L550-I552 VanDerWaalsContact C-N 3.28Å; L550-I552 PolarHBondContact O-N 2.84Å; L550-Q553 PolarHBondContact O-N 3.21Å; L550-D554 WeakPolarHBondContact O-CB 3.39Å; L550-D554 PolarHBondContact O-N 3.26Å
551	F	77.3	Confident	73.9	Confident	152 Å²	152	110 Å²	110	67%	0.667	55%	0.547	S	S	*	.	H	α-helix	trans	-63.5	-30.9	174.4	-88.9	-74.6	0	0	0	113.4	I547 A548 G555	I547-F551 HydrophobicContact CG2-CD2 3.75Å; I547-F551 HydrophobicContact CG2-CE2 3.79Å; I547-F551 WeakPolarHBondContact O-CD2 3Å; I547-F551 PolarHBondContact O-N 2.95Å; A548-F551 PolarHBondContact O-N 3.23Å; F551-G555 WeakPolarHBondContact O-CA 3.41Å; F551-G555 PolarHBondContact O-N 3.12Å
552	I	79.4	Confident	71.1	Confident	95 Å²	95	110.6 Å²	110.6	49%	0.487	55%	0.551	S	S	.	*	H	α-helix	trans	-74.9	-38.2	174.4	-69.9	164.4	0	0	0	111	A548 F549 L550 G555 R556	A548-I552 PolarHBondContact O-N 3.29Å; A548-I552 WeakPolarHBondContact O-CG1 3.19Å; A548-I552 VanDerWaalsContact O-CG1 3.28Å; F549-I552 PolarHBondContact O-N 3.23Å; L550-I552 VanDerWaalsContact C-N 3.28Å; L550-I552 PolarHBondContact O-N 2.84Å; I552-G555 PolarHBondContact O-N 3.05Å; I552-R556 WeakPolarHBondContact O-CB 3.19Å; I552-R556 VanDerWaalsContact O-CG 3.3Å; I552-R556 WeakPolarHBondContact O-CG 3.35Å; I552-R556 PolarHBondContact O-N 3.29Å
553	Q	72.9	Confident	68.3	Low	94 Å²	94	113.1 Å²	113.1	44%	0.439	56%	0.56	S	S	.	*	H	α-helix	trans	-66.6	-46.6	173.3	-85.1	-168.5	-38.2	0	0	111.5	F549 L550 G555 R556 L557	F549-Q553 HydrophobicContact CD1-CG 4.31Å; F549-Q553 HydrophobicContact CE1-CG 3.83Å; F549-Q553 HydrophobicContact CZ-CG 4.13Å; F549-Q553 PolarHBondContact O-N 2.85Å; L550-Q553 PolarHBondContact O-N 3.21Å; Q553-G555 VanDerWaalsContact C-N 3.31Å; Q553-G555 PolarHBondContact O-N 3.22Å; Q553-R556 CarbonylContact O-C 3.4Å; Q553-R556 VanDerWaalsContact O-N 3.1Å; Q553-R556 PolarHBondContact O-N 2.89Å; Q553-R556 WeakPolarHBondContact O-CB 3.37Å; Q553-R556 WeakPolarHBondContact O-CA 3.35Å; Q553-L557 PolarHBondContact O-N 3.03Å
554	D	63.9	Low	65.6	Low	82 Å²	82	117.4 Å²	117.4	44%	0.439	58%	0.583	S	S	.	*	H	α-helix	trans	-64.7	-37.7	174	-78.4	-13	0	0	0	110.8	L550 R556 L557 L558	L550-D554 WeakPolarHBondContact O-CB 3.39Å; L550-D554 PolarHBondContact O-N 3.26Å; D554-R556 VanDerWaalsContact C-N 3.28Å; D554-R556 PolarHBondContact O-N 3.09Å; D554-L557 PolarHBondContact O-N 3.3Å; D554-L557 CarbonylContact O-C 3.42Å; D554-L558 HydrophobicContact CB-CD1 4.47Å; D554-L558 WeakPolarHBondContact O-CB 3.35Å; D554-L558 WeakPolarHBondContact O-CD1 3.44Å; D554-L558 VanDerWaalsContact O-CG 3.22Å; D554-L558 WeakPolarHBondContact O-CG 3.02Å; D554-L558 PolarHBondContact O-N 2.84Å
555	G	63.2	Low	62.8	Low	30 Å²	30	123.2 Å²	123.2	31%	0.309	60%	0.597	S	S	.	*	H	α-helix	trans	-64	-30.8	172.3	0	0	0	0	0	113.2	F551 I552 Q553 R559	F551-G555 WeakPolarHBondContact O-CA 3.41Å; F551-G555 PolarHBondContact O-N 3.12Å; I552-G555 PolarHBondContact O-N 3.05Å; Q553-G555 VanDerWaalsContact C-N 3.31Å; Q553-G555 PolarHBondContact O-N 3.22Å; G555-R559 WeakPolarHBondContact O-CG 3.47Å; G555-R559 PolarHBondContact O-N 3.3Å
556	R	58.2	Low	60	Low	187 Å²	187	131.4 Å²	131.4	71%	0.706	62%	0.616	S	S	*	*	H	α-helix	trans	-75.3	-34.5	171.7	-76.2	176.3	-178	-172.5	2.2	112.1	I552 Q553 D554	I552-R556 WeakPolarHBondContact O-CB 3.19Å; I552-R556 VanDerWaalsContact O-CG 3.3Å; I552-R556 WeakPolarHBondContact O-CG 3.35Å; I552-R556 PolarHBondContact O-N 3.29Å; Q553-R556 CarbonylContact O-C 3.4Å; Q553-R556 VanDerWaalsContact O-N 3.1Å; Q553-R556 PolarHBondContact O-N 2.89Å; Q553-R556 WeakPolarHBondContact O-CB 3.37Å; Q553-R556 WeakPolarHBondContact O-CA 3.35Å; D554-R556 VanDerWaalsContact C-N 3.28Å; D554-R556 PolarHBondContact O-N 3.09Å
557	L	51.9	Low	57.5	Low	102 Å²	102	137 Å²	137	53%	0.534	64%	0.637	S	S	.	*	H	α-helix	trans	-70.9	-38.2	171.3	-78.9	162.3	0	0	0	111.9	Q553 D554 Q560	Q553-L557 PolarHBondContact O-N 3.03Å; D554-L557 PolarHBondContact O-N 3.3Å; D554-L557 CarbonylContact O-C 3.42Å; L557-Q560 PolarHBondContact O-N 3Å; L557-Q560 VanDerWaalsContact O-N 3.09Å; L557-Q560 WeakPolarHBondContact O-CB 3.38Å
558	L	49.6	Very low	55.1	Low	113 Å²	113	137.9 Å²	137.9	59%	0.592	65%	0.647	S	S	*	*	H	α-helix	trans	-73.9	-25.5	178.1	-76.2	160.3	0	0	0	112	D554 Q560 Y561	D554-L558 HydrophobicContact CB-CD1 4.47Å; D554-L558 WeakPolarHBondContact O-CB 3.35Å; D554-L558 WeakPolarHBondContact O-CD1 3.44Å; D554-L558 VanDerWaalsContact O-CG 3.22Å; D554-L558 WeakPolarHBondContact O-CG 3.02Å; D554-L558 PolarHBondContact O-N 2.84Å; L558-Q560 PolarHBondContact O-N 3.29Å; L558-Y561 CarbonylContact O-C 3.37Å; L558-Y561 WeakPolarHBondContact O-CA 3.49Å; L558-Y561 PolarHBondContact O-N 3.04Å
559	R	51.5	Low	53.4	Low	218 Å²	218	140.5 Å²	140.5	82%	0.823	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-17.2	166.6	-90.7	-175.3	178.7	-176.9	0.7	113.5	G555	G555-R559 WeakPolarHBondContact O-CG 3.47Å; G555-R559 PolarHBondContact O-N 3.3Å
560	Q	50.1	Low	51.6	Low	153 Å²	153	141.2 Å²	141.2	72%	0.715	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-15.6	168.2	-77.5	-177	-24.7	0	0	113.2	L557 L558 N562	L557-Q560 PolarHBondContact O-N 3Å; L557-Q560 VanDerWaalsContact O-N 3.09Å; L557-Q560 WeakPolarHBondContact O-CB 3.38Å; L558-Q560 PolarHBondContact O-N 3.29Å; Q560-N562 PolarHBondContact O-N 2.95Å
561	Y	43	Very low	49.4	Very low	192 Å²	192	145.2 Å²	145.2	75%	0.753	69%	0.69	S	S	*	*	S	Bend	trans	-102.3	76.9	174.9	-74.2	-82.4	0	0	0	110.4	L558	L558-Y561 CarbonylContact O-C 3.37Å; L558-Y561 WeakPolarHBondContact O-CA 3.49Å; L558-Y561 PolarHBondContact O-N 3.04Å
562	N	36.5	Very low	47.8	Very low	139 Å²	139	144.2 Å²	144.2	74%	0.743	70%	0.696	S	S	*	*			trans	-48.6	150.9	165.5	-91.5	-25.7	0	0	0	113.7	Q560	Q560-N562 PolarHBondContact O-N 2.95Å
563	E	33.9	Very low	46.2	Very low	164 Å²	164	145.3 Å²	145.3	77%	0.766	71%	0.708	S	S	*	*			trans	75.6	66.4	152	-64.9	-83	159.5	0	0	118.3
564	L	36.8	Very low	44.4	Very low	181 Å²	181	148.5 Å²	148.5	95%	0.948	73%	0.727	S	S	*	*			trans	-126	93	147.2	-80.7	171	0	0	0	111.5
565	R	35.3	Very low	43.3	Very low	233 Å²	233	152.7 Å²	152.7	88%	0.879	75%	0.748	S	S	*	*			trans	-5.9	120.8	157	-87	173.7	164	-177.4	-5	118.4
566	R	31.8	Very low	41.9	Very low	230 Å²	230	156 Å²	156	87%	0.868	77%	0.766	S	S	*	*			trans	-8.7	138.6	137.6	-76.4	175.3	172.4	170.3	-3.3	117.7
567	I	36.6	Very low	40.6	Very low	169 Å²	169	152.9 Å²	152.9	87%	0.867	77%	0.772	S	S	*	*				-127.7	141.7	124.3	-64.8	-177	0	0	0	108.7
568	P	36.1	Very low	39.7	Very low	94 Å²	94	152.8 Å²	152.8	61%	0.61	79%	0.786	S	S	*	*			trans	-94.2	164.8	-154.5	-4.2	26.2	0	0	0	116.1	D570	P568-D570 VanDerWaalsContact C-N 3.31Å; P568-D570 PolarHBondContact O-N 2.9Å; P568-D570 VanDerWaalsContact O-N 3.12Å
569	S	48.6	Very low	39.1	Very low	105 Å²	105	161.1 Å²	161.1	73%	0.734	82%	0.818	S	S	*	*	S	Bend	trans	-72.8	20.1	-169.1	37.3	0	0	0	0	118.1
570	D	46.2	Very low	38.5	Very low	136 Å²	136	158.3 Å²	158.3	73%	0.727	82%	0.818	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	3.1	-176.2	-66.4	-6.7	0	0	0	113.9	P568	P568-D570 VanDerWaalsContact C-N 3.31Å; P568-D570 PolarHBondContact O-N 2.9Å; P568-D570 VanDerWaalsContact O-N 3.12Å
571	M	34.9	Very low	37.8	Very low	181 Å²	181	158.6 Å²	158.6	89%	0.892	82%	0.823	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-4.2	-177.9	-108.1	-172.6	148.6	0	0	115.8
572	V	44	Very low	37.6	Very low	131 Å²	131	156.7 Å²	156.7	79%	0.794	83%	0.827	S	S	*	*	S	Bend	trans	-103.5	-5.5	-171.1	-176.1	0	0	0	0	113.9
573	T	45.6	Very low	37.6	Very low	118 Å²	118	157.8 Å²	157.8	72%	0.724	83%	0.832	S	S	*	*	S	Bend	trans	-98.8	15.7	-177	40.6	0	0	0	0	116
574	L	35.4	Very low	37.8	Very low	160 Å²	160	157.4 Å²	157.4	84%	0.838	84%	0.836	S	S	*	*	S	Bend	trans	-107.1	13.5	180	-89.8	160.4	0	0	0	116.3
575	I	40.5	Very low	37.9	Very low	171 Å²	171	155.8 Å²	155.8	88%	0.877	83%	0.829	S	S	*	*	S	Bend	trans	-106.1	8.1	179	-58.2	179.4	0	0	0	113.6
576	S	32.6	Very low	38.1	Very low	100 Å²	100	150.3 Å²	150.3	70%	0.699	83%	0.825	S	S	*	*	S	Bend	trans	-133.7	85.4	172.8	66.1	0	0	0	0	112.9
577	S	31.1	Very low	38.6	Very low	120 Å²	120	144.2 Å²	144.2	84%	0.839	82%	0.822	S	S	*	*			trans	151.7	100.7	137.6	64.5	0	0	0	0	112.3
578	A	33.7	Very low	38.8	Very low	100 Å²	100	142.1 Å²	142.1	83%	0.826	82%	0.818	S	S	*	*			trans	-172.4	97.9	144.2	0	0	0	0	0	110
579	K	36.5	Very low	39	Very low	289 Å²	289	146.5 Å²	146.5	100%	1.257	84%	0.837	S	S	*	*			trans	36.2	0	151.6	-73.3	-180	175.1	178.2	0	119.9

Retrieved 579 of 579 residues in 171.9 ms (Link to these results)

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