A0A060YPS5_ONCMY Loading...

Pro-cathepsin H

Important for the overall degradation of proteins in lysosomes.

AlphaFold DB , UniProt , Accession A0A060YPS5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ctsh, Length 328 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	42.3	Very low	45.4	Very low	232 Å²	232	152.4 Å²	152.4	100%	1.143	80%	0.795	S	S	*	*				0	94	0	-158.5	168.8	79.7	0	0	108.6
2	K	39.5	Very low	45.3	Very low	211 Å²	211	156.6 Å²	156.6	92%	0.917	80%	0.795	S	S	*	*			trans	-137.3	112.5	166.9	-80.2	-170.9	176.5	-178.5	0	106.2
3	I	42	Very low	45.4	Very low	148 Å²	148	152.3 Å²	152.3	76%	0.759	79%	0.789	S	S	*	*			trans	-77	125.4	-173	-68.4	167.7	0	0	0	107.9	V5	I3-V5 HydrophobicContact CG2-CG2 4.16Å
4	L	42.1	Very low	45.4	Very low	151 Å²	151	150.4 Å²	150.4	79%	0.791	79%	0.786	S	S	*	*			trans	-82.3	109.3	173	-164.5	80.9	0	0	0	107.8	L6	L4-L6 HydrophobicContact CD2-CD1 4.28Å
5	V	47.5	Very low	45.4	Very low	115 Å²	115	148.3 Å²	148.3	70%	0.697	78%	0.783	S	S	*	*			trans	-92.5	107.2	173.7	177.8	0	0	0	0	108	I3	I3-V5 HydrophobicContact CG2-CG2 4.16Å
6	L	44.3	Very low	45.2	Very low	143 Å²	143	143.9 Å²	143.9	75%	0.749	77%	0.768	S	S	*	*			trans	-81.5	109.1	169.8	-99.3	136.8	0	0	0	108.8	L4 I8	L4-L6 HydrophobicContact CD2-CD1 4.28Å; L6-I8 PolarHBondContact O-N 2.89Å
7	L	46.6	Very low	45.3	Very low	140 Å²	140	145.1 Å²	145.1	73%	0.733	77%	0.773	S	S	*	*			trans	-81.4	106.8	168.8	-88	154.6	0	0	0	108.8	F9	L7-F9 PolarHBondContact O-N 3.05Å
8	I	48.8	Very low	45.6	Very low	152 Å²	152	148.2 Å²	148.2	78%	0.779	77%	0.774	S	S	*	*			trans	-80.1	107.3	170.7	-60.5	174.8	0	0	0	107.2	L6 A10	L6-I8 PolarHBondContact O-N 2.89Å; I8-A10 PolarHBondContact O-N 3.42Å
9	F	47.7	Very low	46.3	Very low	181 Å²	181	146.3 Å²	146.3	79%	0.794	77%	0.771	S	S	*	*			trans	-77.7	106.7	167.1	-87.7	-89.5	0	0	0	108.9	L7 V11	L7-F9 PolarHBondContact O-N 3.05Å; F9-V11 PolarHBondContact O-N 3.34Å
10	A	50	Low	47.1	Very low	71 Å²	71	142.3 Å²	142.3	59%	0.587	75%	0.748	S	S	*	*			trans	-73.8	106.8	165.7	0	0	0	0	0	108.6	I8 Y12	I8-A10 PolarHBondContact O-N 3.42Å; A10-Y12 HydrophobicContact CB-CD2 4.45Å; A10-Y12 HydrophobicContact CB-CE2 4.18Å; A10-Y12 PolarHBondContact O-N 2.84Å
11	V	48.4	Very low	48.6	Very low	132 Å²	132	138.4 Å²	138.4	80%	0.8	73%	0.732	S	S	*	*			trans	-78.6	98.4	169	-176	0	0	0	0	107	F9 S13	F9-V11 PolarHBondContact O-N 3.34Å; V11-S13 PolarHBondContact O-N 3.21Å; V11-S13 VanDerWaalsContact O-N 3.15Å
12	Y	44.9	Very low	50.7	Low	203 Å²	203	135.8 Å²	135.8	80%	0.796	72%	0.717	S	S	*	*			trans	-70.2	104.7	164.2	-76.5	-88.1	0	0	0	107.6	A10 V14	A10-Y12 HydrophobicContact CB-CD2 4.45Å; A10-Y12 HydrophobicContact CB-CE2 4.18Å; A10-Y12 PolarHBondContact O-N 2.84Å; Y12-V14 VanDerWaalsContact C-N 3.33Å; Y12-V14 PolarHBondContact O-N 3.42Å
13	S	46.2	Very low	53.1	Low	101 Å²	101	132 Å²	132	71%	0.706	70%	0.703	S	S	*	*			trans	-67.9	96.4	164	55.8	0	0	0	0	107.7	V11 T15	V11-S13 PolarHBondContact O-N 3.21Å; V11-S13 VanDerWaalsContact O-N 3.15Å; S13-T15 VanDerWaalsContact C-N 3.33Å; S13-T15 PolarHBondContact O-N 2.7Å
14	V	45.7	Very low	55.5	Low	125 Å²	125	125.4 Å²	125.4	76%	0.758	67%	0.671	S	S	*	*			trans	-67.3	100	162.9	-176.9	0	0	0	0	105.6	Y12 S16	Y12-V14 VanDerWaalsContact C-N 3.33Å; Y12-V14 PolarHBondContact O-N 3.42Å; V14-S16 PolarHBondContact O-N 3.45Å
15	T	44.9	Very low	58	Low	120 Å²	120	120.5 Å²	120.5	74%	0.736	64%	0.644	S	S	*	*			trans	-65.6	94.2	161.2	47	0	0	0	0	106.3	S13 L17	S13-T15 VanDerWaalsContact C-N 3.33Å; S13-T15 PolarHBondContact O-N 2.7Å; T15-L17 VanDerWaalsContact C-N 3.35Å; T15-L17 PolarHBondContact O-N 3.07Å
16	S	41.9	Very low	60.3	Low	78 Å²	78	121.7 Å²	121.7	55%	0.545	64%	0.637	S	S	.	*			trans	-65.4	98.6	170.8	61.9	0	0	0	0	107.8	V14 Y18	V14-S16 PolarHBondContact O-N 3.45Å; S16-Y18 PolarHBondContact O-N 3.31Å
17	L	46.7	Very low	62.8	Low	163 Å²	163	117.9 Å²	117.9	85%	0.853	62%	0.615	S	S	*	*			trans	-57.3	99.8	149	-79	154.9	0	0	0	104.5	T15 P19	T15-L17 VanDerWaalsContact C-N 3.35Å; T15-L17 PolarHBondContact O-N 3.07Å; L17-P19 VanDerWaalsContact O-CD 3.23Å; L17-P19 WeakPolarHBondContact O-CD 3.43Å
18	Y	51.9	Low	65.3	Low	202 Å²	202	111.2 Å²	111.2	79%	0.792	58%	0.58	S	S	*	*			trans	-55.8	115.8	175.9	-97	-92.1	0	0	0	106.9	S16 F20	S16-Y18 PolarHBondContact O-N 3.31Å; Y18-F20 PolarHBondContact O-N 2.67Å
19	P	57.4	Low	67.6	Low	111 Å²	111	109.3 Å²	109.3	72%	0.721	57%	0.566	S	S	*	*			trans	-63.4	134.9	168.1	28.1	-27.7	0	0	0	105.6	L17 S21	L17-P19 VanDerWaalsContact O-CD 3.23Å; L17-P19 WeakPolarHBondContact O-CD 3.43Å; P19-S21 PolarHBondContact O-N 3.32Å
20	F	64.2	Low	70	Confident	67 Å²	67	104.7 Å²	104.7	29%	0.294	55%	0.549	S	S	.	.			trans	-45.1	141.2	174.4	-59	-82.7	0	0	0	110	Y18 E22 Y45 L48 Q49 I52	Y18-F20 PolarHBondContact O-N 2.67Å; F20-E22 PolarHBondContact O-N 3.41Å; F20-Y45 HydrophobicContact CD2-CD1 4.18Å; F20-Y45 AromaticContact CE2-CD1 3.74Å; F20-Y45 HydrophobicContact CE2-CD1 3.74Å; F20-L48 HydrophobicContact CB-CD2 4.06Å; F20-L48 HydrophobicContact CD1-CD2 4.2Å; F20-L48 HydrophobicContact CD1-CG 4.15Å; F20-L48 HydrophobicContact CD2-CD2 3.62Å; F20-L48 HydrophobicContact CD2-CG 4.39Å; F20-L48 HydrophobicContact CE1-CG 4.37Å; F20-L48 HydrophobicContact CE2-CD2 4.07Å; F20-L48 HydrophobicContact CG-CD2 3.69Å; F20-L48 HydrophobicContact CG-CG 4.14Å; F20-Q49 HydrophobicContact CE1-CB 3.81Å; F20-Q49 HydrophobicContact CE1-CG 4.24Å; F20-Q49 HydrophobicContact CZ-CB 4.07Å; F20-I52 HydrophobicContact CB-CD1 4.08Å; F20-I52 HydrophobicContact CD1-CD1 3.59Å; F20-I52 HydrophobicContact CE1-CD1 4.44Å; F20-I52 HydrophobicContact CG-CD1 4.2Å
21	S	78.2	Confident	72.3	Confident	61 Å²	61	101.6 Å²	101.6	43%	0.427	52%	0.522	S	S	.	.			trans	-55.5	131.2	175.8	52.2	0	0	0	0	108.9	P19 E23 G24 E25	P19-S21 PolarHBondContact O-N 3.32Å; S21-E23 PolarHBondContact O-N 2.92Å; S21-G24 WeakPolarHBondContact O-CA 3.43Å; S21-G24 PolarHBondContact O-N 2.59Å; S21-G24 PolarHBondContact OG-N 3.36Å; S21-E25 PolarHBondContact O-N 3.44Å
22	E	85.5	Confident	74.6	Confident	176 Å²	176	96.4 Å²	96.4	82%	0.822	49%	0.49	S	S	*	.	H	α-helix	trans	-50.3	-36.1	179.9	-68.7	-176.2	168.8	0	0	112.2	F20 E25 Y26	F20-E22 PolarHBondContact O-N 3.41Å; E22-E25 PolarHBondContact O-N 3.01Å; E22-Y26 WeakPolarHBondContact O-CB 3.41Å; E22-Y26 PolarHBondContact O-N 2.87Å
23	E	89.4	Confident	77.1	Confident	133 Å²	133	91.1 Å²	91.1	62%	0.621	48%	0.482	S	S	*	.	H	α-helix	trans	-61.2	-45.6	174.8	-177.2	179.4	-176.1	0	0	113.1	S21 Y26 H27	S21-E23 PolarHBondContact O-N 2.92Å; E23-Y26 WeakPolarHBondContact O-CB 3.26Å; E23-Y26 PolarHBondContact O-N 3.01Å; E23-H27 PolarHBondContact O-CD2 3.16Å; E23-H27 PolarHBondContact O-N 3.46Å
24	G	92.4	Very high	79.5	Confident	8 Å²	8	92.6 Å²	92.6	8%	0.082	48%	0.478	C	S	.	.	H	α-helix	trans	-63.3	-42.6	178.4	0	0	0	0	0	112.4	S21 H27 F28	S21-G24 WeakPolarHBondContact O-CA 3.43Å; S21-G24 PolarHBondContact O-N 2.59Å; S21-G24 PolarHBondContact OG-N 3.36Å; G24-H27 PolarHBondContact O-N 2.95Å; G24-F28 WeakPolarHBondContact O-CB 3.46Å; G24-F28 PolarHBondContact O-N 3.08Å
25	E	95.5	Very high	82	Confident	48 Å²	48	88.5 Å²	88.5	22%	0.224	45%	0.449	C	S	.	.	H	α-helix	trans	-67	-38.7	175.3	-166.6	-176.1	162.9	0	0	112	S21 E22 F28 K29 Y44 L48	S21-E25 PolarHBondContact O-N 3.44Å; E22-E25 PolarHBondContact O-N 3.01Å; E25-F28 PolarHBondContact O-N 2.88Å; E25-K29 WeakPolarHBondContact O-CG 3.17Å; E25-K29 PolarHBondContact O-N 3.27Å; E25-K29 WeakPolarHBondContact OE1-CE 3.16Å; E25-K29 IonicContact OE1-NZ 3.44Å; E25-K29 PolarHBondContact OE1-NZ 2.86Å; E25-Y44 WeakPolarHBondContact CG-OH 3.32Å; E25-Y44 PolarHBondContact OE1-OH 3.26Å; E25-L48 HydrophobicContact CB-CD1 4.34Å; E25-L48 HydrophobicContact CB-CD2 4.28Å; E25-L48 HydrophobicContact CG-CD1 4.43Å; E25-L48 HydrophobicContact CG-CD2 3.98Å
26	Y	96.1	Very high	84.4	Confident	141 Å²	141	89.6 Å²	89.6	55%	0.553	45%	0.451	S	S	*	.	H	α-helix	trans	-59.1	-49.1	174.2	173.2	-101	0	0	0	112	E22 E23 F28 K29 L30	E22-Y26 WeakPolarHBondContact O-CB 3.41Å; E22-Y26 PolarHBondContact O-N 2.87Å; E23-Y26 WeakPolarHBondContact O-CB 3.26Å; E23-Y26 PolarHBondContact O-N 3.01Å; Y26-F28 VanDerWaalsContact C-N 3.31Å; Y26-F28 PolarHBondContact O-N 3.5Å; Y26-K29 PolarHBondContact O-N 3.42Å; Y26-L30 HydrophobicContact CD1-CD1 4.13Å; Y26-L30 HydrophobicContact CE1-CD1 3.47Å; Y26-L30 VanDerWaalsContact CE1-CD1 3.47Å; Y26-L30 HydrophobicContact CE1-CG 4.3Å; Y26-L30 HydrophobicContact CE2-CD1 4.43Å; Y26-L30 PolarHBondContact O-N 3.27Å; Y26-L30 VanDerWaalsContact O-N 3.12Å
27	H	96.4	Very high	87.1	Confident	63 Å²	63	88.5 Å²	88.5	29%	0.292	44%	0.436	S	S	.	.	H	α-helix	trans	-62.4	-38.1	176.4	-77.3	-63.6	0	0	0	112.7	E23 G24 L30 W31 F51	E23-H27 PolarHBondContact O-CD2 3.16Å; E23-H27 PolarHBondContact O-N 3.46Å; G24-H27 PolarHBondContact O-N 2.95Å; H27-L30 PolarHBondContact O-N 3.4Å; H27-W31 WeakPolarHBondContact O-CB 3.45Å; H27-W31 PolarHBondContact O-N 3.45Å; H27-F51 HydrophobicContact CB-CE1 4.14Å
28	F	98.3	Very high	89.5	Confident	0 Å²	0	86.9 Å²	86.9	0%	0	43%	0.433	C	S	.	.	H	α-helix	trans	-63.5	-43.4	176.1	-176.8	-124.4	0	0	0	112	G24 E25 Y26 L30 W31 M32 Y39 Y44 R47 L48 F51 D77	G24-F28 WeakPolarHBondContact O-CB 3.46Å; G24-F28 PolarHBondContact O-N 3.08Å; E25-F28 PolarHBondContact O-N 2.88Å; Y26-F28 VanDerWaalsContact C-N 3.31Å; Y26-F28 PolarHBondContact O-N 3.5Å; F28-L30 PolarHBondContact O-N 3.47Å; F28-W31 AromaticContact CD2-CE3 3.99Å; F28-W31 HydrophobicContact CD2-CE3 3.99Å; F28-W31 AromaticContact CE2-CE3 3.8Å; F28-W31 HydrophobicContact CE2-CE3 3.8Å; F28-W31 AromaticContact CE2-CZ3 3.89Å; F28-W31 HydrophobicContact CE2-CZ3 3.89Å; F28-W31 PolarHBondContact O-N 2.98Å; F28-M32 HydrophobicContact CD1-CG 4.34Å; F28-M32 HydrophobicContact CD1-SD 3.79Å; F28-M32 HydrophobicContact CD2-CG 4.28Å; F28-M32 HydrophobicContact CE1-CG 4.07Å; F28-M32 HydrophobicContact CE1-SD 3.38Å; F28-M32 WeakPolarHBondContact CE1-SD 3.36Å; F28-M32 HydrophobicContact CE2-CG 3.99Å; F28-M32 HydrophobicContact CE2-SD 4.38Å; F28-M32 HydrophobicContact CG-CG 4.46Å; F28-M32 HydrophobicContact CG-SD 4.46Å; F28-M32 HydrophobicContact CZ-CG 3.87Å; F28-M32 HydrophobicContact CZ-SD 3.72Å; F28-M32 VanDerWaalsContact O-CG 3.32Å; F28-M32 WeakPolarHBondContact O-CG 3.39Å; F28-M32 PolarHBondContact O-N 2.91Å; F28-Y39 HydrophobicContact CZ-CD2 4.15Å; F28-Y39 AromaticContact CZ-CE2 3.99Å; F28-Y39 HydrophobicContact CZ-CE2 3.99Å; F28-Y44 HydrophobicContact CD1-CD2 4.49Å; F28-Y44 AromaticContact CD1-CE2 3.87Å; F28-Y44 HydrophobicContact CD1-CE2 3.87Å; F28-Y44 AromaticContact CE1-CD2 3.87Å; F28-Y44 HydrophobicContact CE1-CD2 3.87Å; F28-Y44 AromaticContact CE1-CE2 3.7Å; F28-Y44 HydrophobicContact CE1-CE2 3.7Å; F28-R47 HydrophobicContact CE1-CB 4.47Å; F28-R47 HydrophobicContact CE2-CB 4.33Å; F28-R47 HydrophobicContact CZ-CB 3.63Å; F28-L48 HydrophobicContact CB-CD1 3.46Å; F28-L48 VanDerWaalsContact CB-CD1 3.46Å; F28-L48 HydrophobicContact CD1-CB 3.76Å; F28-L48 HydrophobicContact CD1-CD1 3.59Å; F28-L48 HydrophobicContact CD1-CG 4.22Å; F28-L48 HydrophobicContact CE1-CB 3.8Å; F28-L48 HydrophobicContact CE1-CD1 4.48Å; F28-L48 HydrophobicContact CG-CB 4.4Å; F28-L48 HydrophobicContact CG-CD1 3.65Å; F28-L48 HydrophobicContact CZ-CB 4.5Å; F28-F51 HydrophobicContact CB-CD1 3.75Å; F28-F51 HydrophobicContact CB-CE1 3.98Å; F28-F51 HydrophobicContact CB-CG 4.35Å; F28-F51 HydrophobicContact CD2-CB 3.55Å; F28-F51 AromaticContact CD2-CD1 3.73Å; F28-F51 HydrophobicContact CD2-CD1 3.73Å; F28-F51 AromaticContact CD2-CD2 3.83Å; F28-F51 HydrophobicContact CD2-CD2 3.83Å; F28-F51 HydrophobicContact CD2-CE1 4.38Å; F28-F51 HydrophobicContact CD2-CE2 4.46Å; F28-F51 AromaticContact CD2-CG 3.42Å; F28-F51 HydrophobicContact CD2-CG 3.42Å; F28-F51 VanDerWaalsContact CD2-CG 3.42Å; F28-F51 HydrophobicContact CE2-CB 3.84Å; F28-F51 HydrophobicContact CE2-CD2 4.39Å; F28-F51 HydrophobicContact CE2-CG 4.11Å; F28-F51 HydrophobicContact CG-CB 4.42Å; F28-F51 HydrophobicContact CG-CD1 4.15Å; F28-F51 HydrophobicContact CG-CG 4.26Å; F28-D77 HydrophobicContact CE2-CB 4.2Å
29	K	97.8	Very high	91.6	Very high	111 Å²	111	79.8 Å²	79.8	48%	0.483	41%	0.405	S	S	.	.	H	α-helix	trans	-61.3	-40.9	175.9	-73.1	175.2	-175.2	164.9	0	112.6	E25 Y26 M32 S33 Y44	E25-K29 WeakPolarHBondContact O-CG 3.17Å; E25-K29 PolarHBondContact O-N 3.27Å; E25-K29 WeakPolarHBondContact OE1-CE 3.16Å; E25-K29 IonicContact OE1-NZ 3.44Å; E25-K29 PolarHBondContact OE1-NZ 2.86Å; Y26-K29 PolarHBondContact O-N 3.42Å; K29-M32 PolarHBondContact O-N 2.72Å; K29-S33 PolarHBondContact O-N 3.31Å; K29-Y44 WeakPolarHBondContact CE-OH 3.15Å
30	L	97.5	Very high	93.5	Very high	85 Å²	85	79.6 Å²	79.6	45%	0.445	40%	0.398	S	S	.	.	H	α-helix	trans	-62.3	-46.4	174.2	-71	179	0	0	0	111.5	Y26 H27 F28 S33 Q34	Y26-L30 HydrophobicContact CD1-CD1 4.13Å; Y26-L30 HydrophobicContact CE1-CD1 3.47Å; Y26-L30 VanDerWaalsContact CE1-CD1 3.47Å; Y26-L30 HydrophobicContact CE1-CG 4.3Å; Y26-L30 HydrophobicContact CE2-CD1 4.43Å; Y26-L30 PolarHBondContact O-N 3.27Å; Y26-L30 VanDerWaalsContact O-N 3.12Å; H27-L30 PolarHBondContact O-N 3.4Å; F28-L30 PolarHBondContact O-N 3.47Å; L30-S33 WeakPolarHBondContact O-CB 3.28Å; L30-S33 PolarHBondContact O-N 3.41Å; L30-Q34 PolarHBondContact O-N 2.88Å
31	W	98.3	Very high	95	Very high	5 Å²	5	83.6 Å²	83.6	2%	0.019	42%	0.419	C	S	.	.	H	α-helix	trans	-61.7	-44	177.1	176.9	92.8	0	0	0	111.8	H27 F28 S33 Q34 Y35 K37 F51 N73 D77	H27-W31 WeakPolarHBondContact O-CB 3.45Å; H27-W31 PolarHBondContact O-N 3.45Å; F28-W31 AromaticContact CD2-CE3 3.99Å; F28-W31 HydrophobicContact CD2-CE3 3.99Å; F28-W31 AromaticContact CE2-CE3 3.8Å; F28-W31 HydrophobicContact CE2-CE3 3.8Å; F28-W31 AromaticContact CE2-CZ3 3.89Å; F28-W31 HydrophobicContact CE2-CZ3 3.89Å; F28-W31 PolarHBondContact O-N 2.98Å; W31-S33 VanDerWaalsContact C-N 3.29Å; W31-S33 PolarHBondContact O-N 3Å; W31-Q34 WeakPolarHBondContact O-CB 3.36Å; W31-Q34 PolarHBondContact O-N 3.48Å; W31-Q34 VanDerWaalsContact O-N 3.1Å; W31-Y35 AromaticContact CD1-CD2 3.46Å; W31-Y35 VanDerWaalsContact CD1-CD2 3.46Å; W31-Y35 AromaticContact CD1-CE2 3.4Å; W31-Y35 VanDerWaalsContact CD1-CE2 3.4Å; W31-Y35 AromaticContact CD2-CD2 3.92Å; W31-Y35 HydrophobicContact CD2-CD2 3.92Å; W31-Y35 AromaticContact CE2-CD2 3.44Å; W31-Y35 VanDerWaalsContact CE2-CD2 3.44Å; W31-Y35 AromaticContact CE2-CE2 3.96Å; W31-Y35 AromaticContact CG-CD2 3.9Å; W31-Y35 HydrophobicContact CG-CD2 3.9Å; W31-Y35 HydrophobicContact CG-CE2 4.25Å; W31-Y35 AromaticContact CZ2-CD2 3.99Å; W31-Y35 HydrophobicContact CZ2-CD2 3.99Å; W31-Y35 HydrophobicContact CZ2-CG 4.25Å; W31-Y35 AromaticContact NE1-CD2 3.19Å; W31-Y35 AromaticContact NE1-CE2 3.21Å; W31-Y35 WeakPolarHBondContact O-CD2 3.34Å; W31-Y35 PolarHBondContact O-N 3.34Å; W31-K37 HydrophobicContact CE3-CG 4.46Å; W31-K37 HydrophobicContact CH2-CD 4.29Å; W31-K37 HydrophobicContact CH2-CG 3.65Å; W31-K37 HydrophobicContact CZ3-CB 4.22Å; W31-K37 HydrophobicContact CZ3-CG 3.55Å; W31-F51 HydrophobicContact CB-CE2 3.68Å; W31-F51 HydrophobicContact CB-CZ 3.85Å; W31-F51 AromaticContact CD1-CE2 3.62Å; W31-F51 HydrophobicContact CD2-CD2 4.07Å; W31-F51 AromaticContact CD2-CE2 3.82Å; W31-F51 HydrophobicContact CD2-CE2 3.82Å; W31-F51 HydrophobicContact CE3-CD2 4.35Å; W31-F51 HydrophobicContact CE3-CE2 4.45Å; W31-F51 HydrophobicContact CG-CD2 4.14Å; W31-F51 AromaticContact CG-CE2 3.4Å; W31-F51 HydrophobicContact CG-CE2 3.4Å; W31-F51 HydrophobicContact CG-CZ 4.09Å; W31-N73 PolarHBondContact NE1-O 3.03Å; W31-D77 HydrophobicContact CH2-CB 3.68Å; W31-D77 WeakPolarHBondContact CH2-OD1 3.36Å; W31-D77 WeakPolarHBondContact CH2-OD2 3.38Å; W31-D77 HydrophobicContact CZ2-CB 4.42Å; W31-D77 HydrophobicContact CZ3-CB 3.82Å; W31-D77 WeakPolarHBondContact CZ3-OD2 3.45Å
32	M	98.4	Very high	95.8	Very high	24 Å²	24	88.7 Å²	88.7	12%	0.118	44%	0.436	C	S	.	.	H	α-helix	trans	-58	-43.1	175.3	-73.8	179.8	67.8	0	0	111.4	F28 K29 Q34 Y35 N36 K37 Y39 Y44	F28-M32 HydrophobicContact CD1-CG 4.34Å; F28-M32 HydrophobicContact CD1-SD 3.79Å; F28-M32 HydrophobicContact CD2-CG 4.28Å; F28-M32 HydrophobicContact CE1-CG 4.07Å; F28-M32 HydrophobicContact CE1-SD 3.38Å; F28-M32 WeakPolarHBondContact CE1-SD 3.36Å; F28-M32 HydrophobicContact CE2-CG 3.99Å; F28-M32 HydrophobicContact CE2-SD 4.38Å; F28-M32 HydrophobicContact CG-CG 4.46Å; F28-M32 HydrophobicContact CG-SD 4.46Å; F28-M32 HydrophobicContact CZ-CG 3.87Å; F28-M32 HydrophobicContact CZ-SD 3.72Å; F28-M32 VanDerWaalsContact O-CG 3.32Å; F28-M32 WeakPolarHBondContact O-CG 3.39Å; F28-M32 PolarHBondContact O-N 2.91Å; K29-M32 PolarHBondContact O-N 2.72Å; M32-Q34 VanDerWaalsContact C-N 3.35Å; M32-Y35 CarbonylContact O-C 3.6Å; M32-Y35 PolarHBondContact O-N 3.28Å; M32-N36 CarbonylContact O-C 3.27Å; M32-N36 WeakPolarHBondContact O-CA 3.48Å; M32-N36 PolarHBondContact O-N 3.26Å; M32-K37 HydrophobicContact CB-CB 4.16Å; M32-K37 HydrophobicContact CE-CB 4.45Å; M32-K37 VanDerWaalsContact CE-O 3.28Å; M32-K37 WeakPolarHBondContact CE-O 3.49Å; M32-K37 HydrophobicContact CG-CB 4.09Å; M32-K37 PolarHBondContact O-N 3.2Å; M32-Y39 HydrophobicContact CE-CD2 3.64Å; M32-Y39 HydrophobicContact CE-CE2 4.16Å; M32-Y39 HydrophobicContact CE-CG 4.45Å; M32-Y39 HydrophobicContact SD-CD2 4.21Å; M32-Y44 HydrophobicContact CE-CD2 4.21Å; M32-Y44 HydrophobicContact CE-CE2 4.4Å; M32-Y44 HydrophobicContact SD-CD2 3.91Å; M32-Y44 HydrophobicContact SD-CE2 3.65Å
33	S	97.4	Very high	96.3	Very high	91 Å²	91	83 Å²	83	64%	0.636	41%	0.41	S	S	*	.	H	α-helix	trans	-64.6	-38.4	176.1	-173.9	0	0	0	0	112.3	K29 L30 W31	K29-S33 PolarHBondContact O-N 3.31Å; L30-S33 WeakPolarHBondContact O-CB 3.28Å; L30-S33 PolarHBondContact O-N 3.41Å; W31-S33 VanDerWaalsContact C-N 3.29Å; W31-S33 PolarHBondContact O-N 3Å
34	Q	96.6	Very high	96.7	Very high	132 Å²	132	78.1 Å²	78.1	62%	0.617	39%	0.386	S	S	*	.	H	α-helix	trans	-66.8	-39.9	178.4	178.6	179.8	-10	0	0	112.1	L30 W31 M32	L30-Q34 PolarHBondContact O-N 2.88Å; W31-Q34 WeakPolarHBondContact O-CB 3.36Å; W31-Q34 PolarHBondContact O-N 3.48Å; W31-Q34 VanDerWaalsContact O-N 3.1Å; M32-Q34 VanDerWaalsContact C-N 3.35Å
35	Y	96.3	Very high	96.9	Very high	39 Å²	39	83.2 Å²	83.2	15%	0.153	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	12.1	-176.2	-68.1	-77.8	0	0	0	113.8	W31 M32 K37 N73 Q74	W31-Y35 AromaticContact CD1-CD2 3.46Å; W31-Y35 VanDerWaalsContact CD1-CD2 3.46Å; W31-Y35 AromaticContact CD1-CE2 3.4Å; W31-Y35 VanDerWaalsContact CD1-CE2 3.4Å; W31-Y35 AromaticContact CD2-CD2 3.92Å; W31-Y35 HydrophobicContact CD2-CD2 3.92Å; W31-Y35 AromaticContact CE2-CD2 3.44Å; W31-Y35 VanDerWaalsContact CE2-CD2 3.44Å; W31-Y35 AromaticContact CE2-CE2 3.96Å; W31-Y35 AromaticContact CG-CD2 3.9Å; W31-Y35 HydrophobicContact CG-CD2 3.9Å; W31-Y35 HydrophobicContact CG-CE2 4.25Å; W31-Y35 AromaticContact CZ2-CD2 3.99Å; W31-Y35 HydrophobicContact CZ2-CD2 3.99Å; W31-Y35 HydrophobicContact CZ2-CG 4.25Å; W31-Y35 AromaticContact NE1-CD2 3.19Å; W31-Y35 AromaticContact NE1-CE2 3.21Å; W31-Y35 WeakPolarHBondContact O-CD2 3.34Å; W31-Y35 PolarHBondContact O-N 3.34Å; M32-Y35 CarbonylContact O-C 3.6Å; M32-Y35 PolarHBondContact O-N 3.28Å; Y35-K37 VanDerWaalsContact C-N 3.28Å; Y35-K37 PolarHBondContact O-N 3.25Å; Y35-N73 WeakPolarHBondContact OH-CA 3.39Å; Y35-Q74 HydrophobicContact CD1-CB 3.54Å; Y35-Q74 HydrophobicContact CE1-CB 3.64Å; Y35-Q74 HydrophobicContact CG-CB 4.38Å
36	N	96.7	Very high	97	Very high	144 Å²	144	85 Å²	85	77%	0.77	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	43	180	-59.7	-58.9	0	0	0	113.6	M32	M32-N36 CarbonylContact O-C 3.27Å; M32-N36 WeakPolarHBondContact O-CA 3.48Å; M32-N36 PolarHBondContact O-N 3.26Å
37	K	97.4	Very high	97.2	Very high	55 Å²	55	79.5 Å²	79.5	24%	0.239	39%	0.39	C	S	.	.			trans	-88.6	139	178.8	-59.6	-58.4	-165.7	108.2	0	111.2	W31 M32 Y35 Y39 D77	W31-K37 HydrophobicContact CE3-CG 4.46Å; W31-K37 HydrophobicContact CH2-CD 4.29Å; W31-K37 HydrophobicContact CH2-CG 3.65Å; W31-K37 HydrophobicContact CZ3-CB 4.22Å; W31-K37 HydrophobicContact CZ3-CG 3.55Å; M32-K37 HydrophobicContact CB-CB 4.16Å; M32-K37 HydrophobicContact CE-CB 4.45Å; M32-K37 VanDerWaalsContact CE-O 3.28Å; M32-K37 WeakPolarHBondContact CE-O 3.49Å; M32-K37 HydrophobicContact CG-CB 4.09Å; M32-K37 PolarHBondContact O-N 3.2Å; Y35-K37 VanDerWaalsContact C-N 3.28Å; Y35-K37 PolarHBondContact O-N 3.25Å; K37-Y39 HydrophobicContact CB-CE2 3.84Å; K37-Y39 WeakPolarHBondContact CD-OH 3.19Å; K37-Y39 PolarHBondContact NZ-OH 2.9Å; K37-D77 IonicContact NZ-OD1 2.82Å; K37-D77 PolarHBondContact NZ-OD1 3.11Å; K37-D77 IonicContact NZ-OD2 3.13Å; K37-D77 PolarHBondContact NZ-OD2 2.86Å
38	V	97.1	Very high	97.2	Very high	129 Å²	129	76.5 Å²	76.5	78%	0.782	38%	0.376	S	S	*	.			trans	-136.8	129.5	176.5	-177	0	0	0	0	108.1
39	Y	97.4	Very high	97.2	Very high	53 Å²	53	81.8 Å²	81.8	21%	0.208	40%	0.401	C	S	.	.			trans	-130	148.3	-178	-60.5	-52.1	0	0	0	110.4	F28 M32 K37 E43 R47 D77	F28-Y39 HydrophobicContact CZ-CD2 4.15Å; F28-Y39 AromaticContact CZ-CE2 3.99Å; F28-Y39 HydrophobicContact CZ-CE2 3.99Å; M32-Y39 HydrophobicContact CE-CD2 3.64Å; M32-Y39 HydrophobicContact CE-CE2 4.16Å; M32-Y39 HydrophobicContact CE-CG 4.45Å; M32-Y39 HydrophobicContact SD-CD2 4.21Å; K37-Y39 HydrophobicContact CB-CE2 3.84Å; K37-Y39 WeakPolarHBondContact CD-OH 3.19Å; K37-Y39 PolarHBondContact NZ-OH 2.9Å; Y39-E43 HydrophobicContact CD1-CB 4.43Å; Y39-E43 HydrophobicContact CD1-CG 3.55Å; Y39-E43 HydrophobicContact CE1-CG 4.27Å; Y39-E43 HydrophobicContact CG-CG 4.01Å; Y39-R47 HydrophobicContact CD1-CG 4.31Å; Y39-R47 HydrophobicContact CD2-CB 4.08Å; Y39-R47 HydrophobicContact CD2-CG 4.08Å; Y39-R47 HydrophobicContact CE1-CG 4.13Å; Y39-R47 HydrophobicContact CE2-CB 3.9Å; Y39-R47 HydrophobicContact CE2-CG 3.84Å; Y39-R47 HydrophobicContact CG-CG 4.33Å; Y39-D77 PolarHBondContact OH-OD2 3.19Å
40	D	97.6	Very high	97.2	Very high	106 Å²	106	77 Å²	77	57%	0.567	38%	0.38	S	S	*	.			trans	-69.7	174.1	161.9	66.2	50.5	0	0	0	110.4	E42 E43 Y44	D40-E42 VanDerWaalsContact C-N 3.32Å; D40-E42 PolarHBondContact O-N 3.43Å; D40-E42 PolarHBondContact OD1-N 3.29Å; D40-E43 PolarHBondContact OD1-N 2.89Å; D40-Y44 WeakPolarHBondContact O-CB 3.44Å; D40-Y44 PolarHBondContact O-N 3.46Å
41	M	94.3	Very high	97.3	Very high	151 Å²	151	73 Å²	73	74%	0.744	36%	0.359	S	S	*	.	H	α-helix	trans	-64.1	-35.7	-172.5	-169.5	174.3	-66.4	0	0	113.2	Y45	M41-Y45 HydrophobicContact CG-CD2 4.39Å; M41-Y45 HydrophobicContact CG-CE2 3.95Å; M41-Y45 WeakPolarHBondContact O-CD2 3.3Å
42	E	94.8	Very high	97.2	Very high	169 Å²	169	73.5 Å²	73.5	79%	0.79	36%	0.362	S	S	*	.	H	α-helix	trans	-73.3	-50	-178.6	-174.7	174.9	179.4	0	0	110.2	D40 Y44 Y45 H46	D40-E42 VanDerWaalsContact C-N 3.32Å; D40-E42 PolarHBondContact O-N 3.43Å; D40-E42 PolarHBondContact OD1-N 3.29Å; E42-Y44 VanDerWaalsContact C-N 3.28Å; E42-Y44 PolarHBondContact O-N 3.16Å; E42-Y45 PolarHBondContact O-N 2.96Å; E42-H46 PolarHBondContact O-N 3.29Å
43	E	97.5	Very high	97.2	Very high	57 Å²	57	76.7 Å²	76.7	27%	0.266	38%	0.377	S	S	.	.	H	α-helix	trans	-64.1	-34.4	178.4	-176.2	68.4	173.7	0	0	111.6	Y39 D40 Y45 H46 R47	Y39-E43 HydrophobicContact CD1-CB 4.43Å; Y39-E43 HydrophobicContact CD1-CG 3.55Å; Y39-E43 HydrophobicContact CE1-CG 4.27Å; Y39-E43 HydrophobicContact CG-CG 4.01Å; D40-E43 PolarHBondContact OD1-N 2.89Å; E43-Y45 PolarHBondContact O-N 3.42Å; E43-H46 PolarHBondContact O-N 3.3Å; E43-H46 IonicContact OE2-CD2 3.78Å; E43-R47 HydrophobicContact CG-CG 3.95Å; E43-R47 WeakPolarHBondContact O-CB 3.26Å; E43-R47 VanDerWaalsContact O-CG 3.24Å; E43-R47 WeakPolarHBondContact O-CG 3.16Å; E43-R47 PolarHBondContact O-N 2.9Å; E43-R47 IonicContact OE1-CZ 3.37Å; E43-R47 IonicContact OE1-NE 3.49Å; E43-R47 PolarHBondContact OE1-NE 3.46Å; E43-R47 IonicContact OE1-NH2 3.45Å; E43-R47 PolarHBondContact OE1-NH2 2.88Å
44	Y	97.9	Very high	97.2	Very high	30 Å²	30	72.8 Å²	72.8	12%	0.118	35%	0.349	C	S	.	.	H	α-helix	trans	-56.9	-49.7	178.2	175.1	-91.3	0	0	0	112.2	E25 F28 K29 M32 D40 E42 H46 R47 L48	E25-Y44 WeakPolarHBondContact CG-OH 3.32Å; E25-Y44 PolarHBondContact OE1-OH 3.26Å; F28-Y44 HydrophobicContact CD1-CD2 4.49Å; F28-Y44 AromaticContact CD1-CE2 3.87Å; F28-Y44 HydrophobicContact CD1-CE2 3.87Å; F28-Y44 AromaticContact CE1-CD2 3.87Å; F28-Y44 HydrophobicContact CE1-CD2 3.87Å; F28-Y44 AromaticContact CE1-CE2 3.7Å; F28-Y44 HydrophobicContact CE1-CE2 3.7Å; K29-Y44 WeakPolarHBondContact CE-OH 3.15Å; M32-Y44 HydrophobicContact CE-CD2 4.21Å; M32-Y44 HydrophobicContact CE-CE2 4.4Å; M32-Y44 HydrophobicContact SD-CD2 3.91Å; M32-Y44 HydrophobicContact SD-CE2 3.65Å; D40-Y44 WeakPolarHBondContact O-CB 3.44Å; D40-Y44 PolarHBondContact O-N 3.46Å; E42-Y44 VanDerWaalsContact C-N 3.28Å; E42-Y44 PolarHBondContact O-N 3.16Å; Y44-H46 VanDerWaalsContact C-N 3.32Å; Y44-H46 PolarHBondContact O-N 3.43Å; Y44-R47 PolarHBondContact O-N 2.91Å; Y44-L48 HydrophobicContact CE1-CD2 4.14Å; Y44-L48 WeakPolarHBondContact O-CB 3.4Å; Y44-L48 PolarHBondContact O-N 3.15Å
45	Y	96.5	Very high	97.3	Very high	115 Å²	115	68.8 Å²	68.8	45%	0.451	33%	0.329	S	S	.	.	H	α-helix	trans	-70.1	-32.7	-179.1	-73	-65.2	0	0	0	112	F20 M41 E42 E43 L48 Q49	F20-Y45 HydrophobicContact CD2-CD1 4.18Å; F20-Y45 AromaticContact CE2-CD1 3.74Å; F20-Y45 HydrophobicContact CE2-CD1 3.74Å; M41-Y45 HydrophobicContact CG-CD2 4.39Å; M41-Y45 HydrophobicContact CG-CE2 3.95Å; M41-Y45 WeakPolarHBondContact O-CD2 3.3Å; E42-Y45 PolarHBondContact O-N 2.96Å; E43-Y45 PolarHBondContact O-N 3.42Å; Y45-L48 HydrophobicContact CD1-CD2 4.32Å; Y45-Q49 PolarHBondContact O-N 2.81Å; Y45-Q49 VanDerWaalsContact O-N 3.13Å
46	H	97.6	Very high	97.4	Very high	85 Å²	85	74.8 Å²	74.8	39%	0.394	35%	0.352	S	S	.	.	H	α-helix	trans	-63.9	-50.4	173.5	-175.8	53.2	0	0	0	111.7	E42 E43 Y44 L48 Q49 I50	E42-H46 PolarHBondContact O-N 3.29Å; E43-H46 PolarHBondContact O-N 3.3Å; E43-H46 IonicContact OE2-CD2 3.78Å; Y44-H46 VanDerWaalsContact C-N 3.32Å; Y44-H46 PolarHBondContact O-N 3.43Å; H46-L48 PolarHBondContact O-N 3.15Å; H46-Q49 WeakPolarHBondContact O-CB 3.32Å; H46-Q49 PolarHBondContact O-N 2.84Å; H46-I50 WeakPolarHBondContact O-CG1 3.46Å; H46-I50 PolarHBondContact O-N 2.76Å
47	R	98.4	Very high	97.4	Very high	26 Å²	26	73.5 Å²	73.5	10%	0.098	34%	0.336	C	S	.	.	H	α-helix	trans	-64.9	-38	178.4	-66.6	-70	170.4	-145.5	-12.4	112.6	F28 Y39 E43 Y44 Q49 I50 F51 D77 E82	F28-R47 HydrophobicContact CE1-CB 4.47Å; F28-R47 HydrophobicContact CE2-CB 4.33Å; F28-R47 HydrophobicContact CZ-CB 3.63Å; Y39-R47 HydrophobicContact CD1-CG 4.31Å; Y39-R47 HydrophobicContact CD2-CB 4.08Å; Y39-R47 HydrophobicContact CD2-CG 4.08Å; Y39-R47 HydrophobicContact CE1-CG 4.13Å; Y39-R47 HydrophobicContact CE2-CB 3.9Å; Y39-R47 HydrophobicContact CE2-CG 3.84Å; Y39-R47 HydrophobicContact CG-CG 4.33Å; E43-R47 HydrophobicContact CG-CG 3.95Å; E43-R47 WeakPolarHBondContact O-CB 3.26Å; E43-R47 VanDerWaalsContact O-CG 3.24Å; E43-R47 WeakPolarHBondContact O-CG 3.16Å; E43-R47 PolarHBondContact O-N 2.9Å; E43-R47 IonicContact OE1-CZ 3.37Å; E43-R47 IonicContact OE1-NE 3.49Å; E43-R47 PolarHBondContact OE1-NE 3.46Å; E43-R47 IonicContact OE1-NH2 3.45Å; E43-R47 PolarHBondContact OE1-NH2 2.88Å; Y44-R47 PolarHBondContact O-N 2.91Å; R47-Q49 VanDerWaalsContact C-N 3.32Å; R47-Q49 PolarHBondContact O-N 2.83Å; R47-I50 PolarHBondContact O-N 2.91Å; R47-F51 WeakPolarHBondContact O-CB 3.32Å; R47-F51 PolarHBondContact O-N 2.84Å; R47-D77 HydrophobicContact CB-CB 4.29Å; R47-D77 WeakPolarHBondContact CD-O 3.37Å; R47-D77 PolarHBondContact NH1-O 2.98Å; R47-E82 IonicContact CZ-OE1 2.69Å; R47-E82 VanDerWaalsContact CZ-OE1 3.25Å; R47-E82 VanDerWaalsContact NH1-CD 3.25Å; R47-E82 IonicContact NH1-OE1 3.91Å; R47-E82 PolarHBondContact NH1-OE1 3.31Å; R47-E82 IonicContact NH1-OE2 2.78Å; R47-E82 PolarHBondContact NH1-OE2 2.96Å; R47-E82 IonicContact NH2-OE1 2.75Å; R47-E82 PolarHBondContact NH2-OE1 3.24Å
48	L	97.9	Very high	97.4	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-58.9	-43.9	173.6	174	60	0	0	0	111.6	F20 E25 F28 Y44 Y45 H46 F51 I52	F20-L48 HydrophobicContact CB-CD2 4.06Å; F20-L48 HydrophobicContact CD1-CD2 4.2Å; F20-L48 HydrophobicContact CD1-CG 4.15Å; F20-L48 HydrophobicContact CD2-CD2 3.62Å; F20-L48 HydrophobicContact CD2-CG 4.39Å; F20-L48 HydrophobicContact CE1-CG 4.37Å; F20-L48 HydrophobicContact CE2-CD2 4.07Å; F20-L48 HydrophobicContact CG-CD2 3.69Å; F20-L48 HydrophobicContact CG-CG 4.14Å; E25-L48 HydrophobicContact CB-CD1 4.34Å; E25-L48 HydrophobicContact CB-CD2 4.28Å; E25-L48 HydrophobicContact CG-CD1 4.43Å; E25-L48 HydrophobicContact CG-CD2 3.98Å; F28-L48 HydrophobicContact CB-CD1 3.46Å; F28-L48 VanDerWaalsContact CB-CD1 3.46Å; F28-L48 HydrophobicContact CD1-CB 3.76Å; F28-L48 HydrophobicContact CD1-CD1 3.59Å; F28-L48 HydrophobicContact CD1-CG 4.22Å; F28-L48 HydrophobicContact CE1-CB 3.8Å; F28-L48 HydrophobicContact CE1-CD1 4.48Å; F28-L48 HydrophobicContact CG-CB 4.4Å; F28-L48 HydrophobicContact CG-CD1 3.65Å; F28-L48 HydrophobicContact CZ-CB 4.5Å; Y44-L48 HydrophobicContact CE1-CD2 4.14Å; Y44-L48 WeakPolarHBondContact O-CB 3.4Å; Y44-L48 PolarHBondContact O-N 3.15Å; Y45-L48 HydrophobicContact CD1-CD2 4.32Å; H46-L48 PolarHBondContact O-N 3.15Å; L48-F51 PolarHBondContact O-N 3.11Å; L48-I52 HydrophobicContact CD1-CD1 3.64Å; L48-I52 HydrophobicContact CD1-CG1 4.09Å; L48-I52 HydrophobicContact CG-CD1 3.94Å; L48-I52 WeakPolarHBondContact O-CG1 3.26Å; L48-I52 PolarHBondContact O-N 3.47Å
49	Q	97.4	Very high	97.5	Very high	111 Å²	111	68 Å²	68	52%	0.519	31%	0.305	S	S	.	.	H	α-helix	trans	-61.9	-47.6	178.3	-175.9	177.9	-12.3	0	0	111.6	F20 Y45 H46 R47 F51 I52 E53	F20-Q49 HydrophobicContact CE1-CB 3.81Å; F20-Q49 HydrophobicContact CE1-CG 4.24Å; F20-Q49 HydrophobicContact CZ-CB 4.07Å; Y45-Q49 PolarHBondContact O-N 2.81Å; Y45-Q49 VanDerWaalsContact O-N 3.13Å; H46-Q49 WeakPolarHBondContact O-CB 3.32Å; H46-Q49 PolarHBondContact O-N 2.84Å; R47-Q49 VanDerWaalsContact C-N 3.32Å; R47-Q49 PolarHBondContact O-N 2.83Å; Q49-F51 VanDerWaalsContact C-N 3.34Å; Q49-F51 PolarHBondContact O-N 2.98Å; Q49-I52 PolarHBondContact O-N 3.18Å; Q49-E53 PolarHBondContact O-N 2.84Å
50	I	98.4	Very high	97.5	Very high	11 Å²	11	74.4 Å²	74.4	6%	0.056	33%	0.33	C	S	.	.	H	α-helix	trans	-60.9	-45.9	177.9	-64.5	164.4	0	0	0	110.5	H46 R47 I52 E53 N54 D77 L78 T79	H46-I50 WeakPolarHBondContact O-CG1 3.46Å; H46-I50 PolarHBondContact O-N 2.76Å; R47-I50 PolarHBondContact O-N 2.91Å; I50-I52 PolarHBondContact O-N 3.35Å; I50-E53 PolarHBondContact O-N 3.32Å; I50-N54 PolarHBondContact O-N 3.2Å; I50-D77 VanDerWaalsContact CG2-C 3.41Å; I50-D77 WeakPolarHBondContact CG2-O 3.32Å; I50-L78 WeakPolarHBondContact CG2-O 3.41Å; I50-T79 HydrophobicContact CD1-CG2 3.8Å; I50-T79 HydrophobicContact CG1-CG2 3.91Å; I50-T79 HydrophobicContact CG2-CG2 4.27Å
51	F	98.6	Very high	97.5	Very high	1 Å²	1	70.4 Å²	70.4	0%	0.004	31%	0.308	C	S	.	.	H	α-helix	trans	-58.7	-46.7	178.6	177.2	-92.6	0	0	0	112.8	H27 F28 W31 R47 L48 Q49 E53 N54 K55 L72 S76	H27-F51 HydrophobicContact CB-CE1 4.14Å; F28-F51 HydrophobicContact CB-CD1 3.75Å; F28-F51 HydrophobicContact CB-CE1 3.98Å; F28-F51 HydrophobicContact CB-CG 4.35Å; F28-F51 HydrophobicContact CD2-CB 3.55Å; F28-F51 AromaticContact CD2-CD1 3.73Å; F28-F51 HydrophobicContact CD2-CD1 3.73Å; F28-F51 AromaticContact CD2-CD2 3.83Å; F28-F51 HydrophobicContact CD2-CD2 3.83Å; F28-F51 HydrophobicContact CD2-CE1 4.38Å; F28-F51 HydrophobicContact CD2-CE2 4.46Å; F28-F51 AromaticContact CD2-CG 3.42Å; F28-F51 HydrophobicContact CD2-CG 3.42Å; F28-F51 VanDerWaalsContact CD2-CG 3.42Å; F28-F51 HydrophobicContact CE2-CB 3.84Å; F28-F51 HydrophobicContact CE2-CD2 4.39Å; F28-F51 HydrophobicContact CE2-CG 4.11Å; F28-F51 HydrophobicContact CG-CB 4.42Å; F28-F51 HydrophobicContact CG-CD1 4.15Å; F28-F51 HydrophobicContact CG-CG 4.26Å; W31-F51 HydrophobicContact CB-CE2 3.68Å; W31-F51 HydrophobicContact CB-CZ 3.85Å; W31-F51 AromaticContact CD1-CE2 3.62Å; W31-F51 HydrophobicContact CD2-CD2 4.07Å; W31-F51 AromaticContact CD2-CE2 3.82Å; W31-F51 HydrophobicContact CD2-CE2 3.82Å; W31-F51 HydrophobicContact CE3-CD2 4.35Å; W31-F51 HydrophobicContact CE3-CE2 4.45Å; W31-F51 HydrophobicContact CG-CD2 4.14Å; W31-F51 AromaticContact CG-CE2 3.4Å; W31-F51 HydrophobicContact CG-CE2 3.4Å; W31-F51 HydrophobicContact CG-CZ 4.09Å; R47-F51 WeakPolarHBondContact O-CB 3.32Å; R47-F51 PolarHBondContact O-N 2.84Å; L48-F51 PolarHBondContact O-N 3.11Å; Q49-F51 VanDerWaalsContact C-N 3.34Å; Q49-F51 PolarHBondContact O-N 2.98Å; F51-E53 VanDerWaalsContact C-N 3.31Å; F51-E53 PolarHBondContact O-N 2.72Å; F51-N54 PolarHBondContact O-N 2.76Å; F51-K55 WeakPolarHBondContact O-CB 3.5Å; F51-K55 PolarHBondContact O-N 3.13Å; F51-L72 HydrophobicContact CD2-CD2 4.46Å; F51-L72 HydrophobicContact CE2-CD1 4.07Å; F51-L72 HydrophobicContact CE2-CD2 3.74Å; F51-L72 HydrophobicContact CE2-CG 4.45Å; F51-L72 HydrophobicContact CZ-CD1 3.72Å; F51-L72 HydrophobicContact CZ-CD2 4.01Å; F51-S76 VanDerWaalsContact CA-O 3.29Å; F51-S76 WeakPolarHBondContact CA-O 3.07Å
52	I	97.6	Very high	97.7	Very high	15 Å²	15	66.5 Å²	66.5	8%	0.077	29%	0.29	C	S	.	.	H	α-helix	trans	-63.4	-39.9	178.1	-72.2	166.8	0	0	0	110.8	F20 L48 Q49 I50 K55 R56	F20-I52 HydrophobicContact CB-CD1 4.08Å; F20-I52 HydrophobicContact CD1-CD1 3.59Å; F20-I52 HydrophobicContact CE1-CD1 4.44Å; F20-I52 HydrophobicContact CG-CD1 4.2Å; L48-I52 HydrophobicContact CD1-CD1 3.64Å; L48-I52 HydrophobicContact CD1-CG1 4.09Å; L48-I52 HydrophobicContact CG-CD1 3.94Å; L48-I52 WeakPolarHBondContact O-CG1 3.26Å; L48-I52 PolarHBondContact O-N 3.47Å; Q49-I52 PolarHBondContact O-N 3.18Å; I50-I52 PolarHBondContact O-N 3.35Å; I52-K55 PolarHBondContact O-N 2.79Å; I52-R56 WeakPolarHBondContact O-CG 3.49Å; I52-R56 PolarHBondContact O-N 2.81Å
53	E	97.6	Very high	97.9	Very high	91 Å²	91	66.1 Å²	66.1	43%	0.425	29%	0.288	S	S	.	.	H	α-helix	trans	-64.7	-47.6	177.4	-174.1	173.3	174.9	0	0	111.8	Q49 I50 F51 K55 R56 R57	Q49-E53 PolarHBondContact O-N 2.84Å; I50-E53 PolarHBondContact O-N 3.32Å; F51-E53 VanDerWaalsContact C-N 3.31Å; F51-E53 PolarHBondContact O-N 2.72Å; E53-K55 VanDerWaalsContact C-N 3.35Å; E53-K55 PolarHBondContact O-N 2.61Å; E53-R56 PolarHBondContact O-N 2.83Å; E53-R57 WeakPolarHBondContact O-CG 3.47Å; E53-R57 PolarHBondContact O-N 2.95Å; E53-R57 IonicContact OE1-CZ 3.83Å; E53-R57 IonicContact OE1-NE 2.7Å; E53-R57 IonicContact OE1-NH2 2.83Å; E53-R57 PolarHBondContact OE1-NH2 3.23Å
54	N	98.4	Very high	97.8	Very high	8 Å²	8	65.3 Å²	65.3	4%	0.043	30%	0.295	C	S	.	.	H	α-helix	trans	-61.2	-43.5	175.9	-76.9	-28.6	0	0	0	111.4	I50 F51 R56 R57 I58 S76 L78 H254	I50-N54 PolarHBondContact O-N 3.2Å; F51-N54 PolarHBondContact O-N 2.76Å; N54-R56 VanDerWaalsContact C-N 3.35Å; N54-R56 PolarHBondContact O-N 2.99Å; N54-R57 WeakPolarHBondContact O-CB 3.32Å; N54-R57 PolarHBondContact O-N 2.8Å; N54-I58 WeakPolarHBondContact O-CD1 3.38Å; N54-I58 VanDerWaalsContact O-CG1 3.28Å; N54-I58 WeakPolarHBondContact O-CG1 3.34Å; N54-I58 PolarHBondContact O-N 3.29Å; N54-S76 PolarHBondContact ND2-O 2.94Å; N54-L78 PolarHBondContact ND2-O 3.27Å; N54-H254 VanDerWaalsContact CG-CE1 3.49Å; N54-H254 PolarHBondContact OD1-CE1 3.48Å
55	K	97.9	Very high	97.6	Very high	48 Å²	48	71.8 Å²	71.8	21%	0.209	33%	0.332	C	S	.	.	H	α-helix	trans	-58.3	-45.8	175.7	-167.8	-166.9	-179.9	-48	0	111.6	F51 I52 E53 R57 I58 D59 L72	F51-K55 WeakPolarHBondContact O-CB 3.5Å; F51-K55 PolarHBondContact O-N 3.13Å; I52-K55 PolarHBondContact O-N 2.79Å; E53-K55 VanDerWaalsContact C-N 3.35Å; E53-K55 PolarHBondContact O-N 2.61Å; K55-R57 VanDerWaalsContact C-N 3.31Å; K55-R57 PolarHBondContact O-N 3.34Å; K55-I58 WeakPolarHBondContact O-CB 2.95Å; K55-I58 PolarHBondContact O-N 3.34Å; K55-D59 IonicContact NZ-OD1 2.82Å; K55-D59 PolarHBondContact NZ-OD1 2.87Å; K55-D59 IonicContact NZ-OD2 3.25Å; K55-D59 PolarHBondContact NZ-OD2 2.71Å; K55-D59 PolarHBondContact O-N 3.34Å; K55-L72 HydrophobicContact CB-CD2 4.21Å; K55-L72 HydrophobicContact CG-CD2 4.29Å
56	R	97.5	Very high	97.6	Very high	166 Å²	166	71.1 Å²	71.1	63%	0.626	33%	0.332	S	S	*	.	H	α-helix	trans	-60.6	-39.9	177	-75.2	174.9	-177.5	163.3	2.3	112.5	I52 E53 N54 Y60	I52-R56 WeakPolarHBondContact O-CG 3.49Å; I52-R56 PolarHBondContact O-N 2.81Å; E53-R56 PolarHBondContact O-N 2.83Å; N54-R56 VanDerWaalsContact C-N 3.35Å; N54-R56 PolarHBondContact O-N 2.99Å; R56-Y60 VanDerWaalsContact O-CB 3.29Å; R56-Y60 WeakPolarHBondContact O-CB 3.49Å; R56-Y60 PolarHBondContact O-N 3.13Å
57	R	97.5	Very high	97.5	Very high	117 Å²	117	70.2 Å²	70.2	44%	0.442	33%	0.333	S	S	.	.	H	α-helix	trans	-64.2	-42.9	175.7	-67.8	174.4	-175.3	-164.6	2.6	111.5	E53 N54 K55 H61	E53-R57 WeakPolarHBondContact O-CG 3.47Å; E53-R57 PolarHBondContact O-N 2.95Å; E53-R57 IonicContact OE1-CZ 3.83Å; E53-R57 IonicContact OE1-NE 2.7Å; E53-R57 IonicContact OE1-NH2 2.83Å; E53-R57 PolarHBondContact OE1-NH2 3.23Å; N54-R57 WeakPolarHBondContact O-CB 3.32Å; N54-R57 PolarHBondContact O-N 2.8Å; K55-R57 VanDerWaalsContact C-N 3.31Å; K55-R57 PolarHBondContact O-N 3.34Å; R57-H61 WeakPolarHBondContact O-CB 3.36Å; R57-H61 PolarHBondContact O-N 3.32Å
58	I	98.4	Very high	97.4	Very high	6 Å²	6	69.4 Å²	69.4	3%	0.031	33%	0.33	C	S	.	.	H	α-helix	trans	-60.7	-50.2	175.7	-69.2	161	0	0	0	110.8	N54 K55 Y60 H61 N62 M70 L72 H254	N54-I58 WeakPolarHBondContact O-CD1 3.38Å; N54-I58 VanDerWaalsContact O-CG1 3.28Å; N54-I58 WeakPolarHBondContact O-CG1 3.34Å; N54-I58 PolarHBondContact O-N 3.29Å; K55-I58 WeakPolarHBondContact O-CB 2.95Å; K55-I58 PolarHBondContact O-N 3.34Å; I58-Y60 PolarHBondContact O-N 3.12Å; I58-H61 PolarHBondContact O-N 3.18Å; I58-N62 WeakPolarHBondContact O-CB 3.35Å; I58-N62 VanDerWaalsContact O-CG 3.31Å; I58-N62 PolarHBondContact O-N 3.05Å; I58-N62 PolarHBondContact O-ND2 2.83Å; I58-M70 HydrophobicContact CB-CB 4.28Å; I58-M70 HydrophobicContact CG1-CB 3.96Å; I58-M70 HydrophobicContact CG1-CE 3.93Å; I58-M70 HydrophobicContact CG2-CB 4Å; I58-M70 WeakPolarHBondContact CG2-O 3.49Å; I58-L72 HydrophobicContact CD1-CD2 3.68Å; I58-L72 HydrophobicContact CD1-CG 4.32Å; I58-H254 HydrophobicContact CD1-CB 4.22Å; I58-H254 HydrophobicContact CG1-CB 4.13Å
59	D	97.9	Very high	97.4	Very high	62 Å²	62	72.3 Å²	72.3	33%	0.332	35%	0.348	S	S	.	.	H	α-helix	trans	-60.6	-47.6	-179.5	-63.1	-23.9	0	0	0	110.3	K55 H61 N62 E63	K55-D59 IonicContact NZ-OD1 2.82Å; K55-D59 PolarHBondContact NZ-OD1 2.87Å; K55-D59 IonicContact NZ-OD2 3.25Å; K55-D59 PolarHBondContact NZ-OD2 2.71Å; K55-D59 PolarHBondContact O-N 3.34Å; D59-H61 PolarHBondContact O-N 2.88Å; D59-N62 PolarHBondContact O-N 3.29Å; D59-E63 WeakPolarHBondContact O-CG 3.21Å; D59-E63 PolarHBondContact O-N 3.22Å
60	Y	98	Very high	97.5	Very high	187 Å²	187	67.7 Å²	67.7	73%	0.733	33%	0.326	S	S	*	.	H	α-helix	trans	-60.2	-42.5	178.1	179.7	-100.3	0	0	0	113.1	R56 I58 E63	R56-Y60 VanDerWaalsContact O-CB 3.29Å; R56-Y60 WeakPolarHBondContact O-CB 3.49Å; R56-Y60 PolarHBondContact O-N 3.13Å; I58-Y60 PolarHBondContact O-N 3.12Å; Y60-E63 PolarHBondContact O-N 2.85Å
61	H	97.9	Very high	97.5	Very high	23 Å²	23	67.7 Å²	67.7	11%	0.106	33%	0.33	C	S	.	.	H	α-helix	trans	-62.2	-46.3	174.5	177.3	91.9	0	0	0	111.1	R57 I58 D59 E63 G64 H66 F68 M70	R57-H61 WeakPolarHBondContact O-CB 3.36Å; R57-H61 PolarHBondContact O-N 3.32Å; I58-H61 PolarHBondContact O-N 3.18Å; D59-H61 PolarHBondContact O-N 2.88Å; H61-E63 VanDerWaalsContact C-N 3.29Å; H61-E63 PolarHBondContact O-N 3.15Å; H61-G64 PolarHBondContact O-N 3.28Å; H61-H66 AromaticContact CE1-CD2 3.84Å; H61-H66 AromaticContact CE1-CG 3.47Å; H61-H66 VanDerWaalsContact CE1-CG 3.47Å; H61-H66 AromaticContact CE1-ND1 3.73Å; H61-H66 AromaticContact ND1-CD2 3.98Å; H61-H66 AromaticContact ND1-CG 3.99Å; H61-H66 AromaticContact NE2-CG 3.79Å; H61-H66 PolarHBondContact O-CD2 3.02Å; H61-F68 AromaticContact CE1-CE1 3.49Å; H61-F68 VanDerWaalsContact CE1-CE1 3.49Å; H61-F68 WeakPolarHBondContact CE1-CE1 3.36Å; H61-F68 AromaticContact CE1-CE2 3.66Å; H61-F68 AromaticContact CE1-CZ 3.23Å; H61-F68 WeakPolarHBondContact CE1-CZ 3.5Å; H61-F68 AromaticContact NE2-CD2 3.87Å; H61-F68 AromaticContact NE2-CE1 3.95Å; H61-F68 AromaticContact NE2-CE2 3.62Å; H61-F68 AromaticContact NE2-CZ 3.67Å; H61-F68 PolarHBondContact NE2-O 2.97Å; H61-M70 HydrophobicContact CB-CG 4.48Å; H61-M70 HydrophobicContact CB-SD 3.53Å; H61-M70 VanDerWaalsContact CB-SD 3.53Å
62	N	98.4	Very high	97.5	Very high	68 Å²	68	70.7 Å²	70.7	36%	0.364	35%	0.345	S	S	.	.	H	α-helix	trans	-71.9	-19.7	-176.7	-70.7	-21.9	0	0	0	113.8	I58 D59 G64 T69 M70	I58-N62 WeakPolarHBondContact O-CB 3.35Å; I58-N62 VanDerWaalsContact O-CG 3.31Å; I58-N62 PolarHBondContact O-N 3.05Å; I58-N62 PolarHBondContact O-ND2 2.83Å; D59-N62 PolarHBondContact O-N 3.29Å; N62-G64 VanDerWaalsContact C-N 3.28Å; N62-T69 WeakPolarHBondContact OD1-CA 3.48Å; N62-M70 PolarHBondContact ND2-O 3.07Å; N62-M70 PolarHBondContact OD1-N 3.33Å
63	E	98	Very high	97.5	Very high	162 Å²	162	70.2 Å²	70.2	76%	0.757	34%	0.343	S	S	*	.	H	α-helix	trans	-72.9	-21.5	169.4	-74.9	175.2	-175.5	0	0	112.7	D59 Y60 H61	D59-E63 WeakPolarHBondContact O-CG 3.21Å; D59-E63 PolarHBondContact O-N 3.22Å; Y60-E63 PolarHBondContact O-N 2.85Å; H61-E63 VanDerWaalsContact C-N 3.29Å; H61-E63 PolarHBondContact O-N 3.15Å
64	G	95.8	Very high	97.6	Very high	39 Å²	39	67.2 Å²	67.2	40%	0.402	33%	0.329	S	S	.	.	S	Bend	trans	-79	176.7	177.8	0	0	0	0	0	114	H61 N62	H61-G64 PolarHBondContact O-N 3.28Å; N62-G64 VanDerWaalsContact C-N 3.28Å
65	N	94.8	Very high	97.6	Very high	167 Å²	167	67.1 Å²	67.1	89%	0.893	33%	0.328	S	S	*	.			trans	-101.3	88.9	174.2	-173.8	24.1	0	0	0	110
66	H	94.9	Very high	97.6	Very high	100 Å²	100	64.8 Å²	64.8	46%	0.463	32%	0.318	S	S	.	.			trans	-119.3	157.7	-178	-59	-84.5	0	0	0	111.4	H61 F68	H61-H66 AromaticContact CE1-CD2 3.84Å; H61-H66 AromaticContact CE1-CG 3.47Å; H61-H66 VanDerWaalsContact CE1-CG 3.47Å; H61-H66 AromaticContact CE1-ND1 3.73Å; H61-H66 AromaticContact ND1-CD2 3.98Å; H61-H66 AromaticContact ND1-CG 3.99Å; H61-H66 AromaticContact NE2-CG 3.79Å; H61-H66 PolarHBondContact O-CD2 3.02Å; H66-F68 VanDerWaalsContact C-N 3.25Å; H66-F68 WeakPolarHBondContact CB-O 3.37Å; H66-F68 PolarHBondContact O-N 2.89Å
67	T	95.4	Very high	97.6	Very high	67 Å²	67	56.9 Å²	56.9	41%	0.411	29%	0.288	S	S	.	.	S	Bend	trans	-78.5	-10	176.8	52.4	0	0	0	0	113.3	G258 V259 T261	T67-G258 CarbonylContact O-C 3.52Å; T67-G258 WeakPolarHBondContact O-CA 3.24Å; T67-V259 CarbonylContact C-O 3.47Å; T67-V259 VanDerWaalsContact CB-O 3.29Å; T67-V259 WeakPolarHBondContact CB-O 3.45Å; T67-V259 PolarHBondContact O-N 3.29Å; T67-V259 PolarHBondContact OG1-O 3.18Å; T67-T261 PolarHBondContact OG1-OG1 2.9Å
68	F	97.3	Very high	97.7	Very high	8 Å²	8	52.5 Å²	52.5	4%	0.035	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	157.6	177.8	78.2	-82	0	0	0	111.2	H61 H66 M70 Y255 G257 Y260 T261	H61-F68 AromaticContact CE1-CE1 3.49Å; H61-F68 VanDerWaalsContact CE1-CE1 3.49Å; H61-F68 WeakPolarHBondContact CE1-CE1 3.36Å; H61-F68 AromaticContact CE1-CE2 3.66Å; H61-F68 AromaticContact CE1-CZ 3.23Å; H61-F68 WeakPolarHBondContact CE1-CZ 3.5Å; H61-F68 AromaticContact NE2-CD2 3.87Å; H61-F68 AromaticContact NE2-CE1 3.95Å; H61-F68 AromaticContact NE2-CE2 3.62Å; H61-F68 AromaticContact NE2-CZ 3.67Å; H61-F68 PolarHBondContact NE2-O 2.97Å; H66-F68 VanDerWaalsContact C-N 3.25Å; H66-F68 WeakPolarHBondContact CB-O 3.37Å; H66-F68 PolarHBondContact O-N 2.89Å; F68-M70 HydrophobicContact CD2-CG 4.43Å; F68-M70 HydrophobicContact CE2-CG 3.79Å; F68-Y255 HydrophobicContact CB-CD2 4.32Å; F68-Y255 HydrophobicContact CB-CE2 4.19Å; F68-Y255 AromaticContact CD2-CD2 3.99Å; F68-Y255 HydrophobicContact CD2-CD2 3.99Å; F68-Y255 HydrophobicContact CG-CD2 4.48Å; F68-G257 CarbonylContact C-O 3.59Å; F68-G257 WeakPolarHBondContact CA-O 3.38Å; F68-G257 VanDerWaalsContact CB-O 3.23Å; F68-G257 WeakPolarHBondContact CB-O 3.24Å; F68-Y260 HydrophobicContact CD1-CD2 4.04Å; F68-Y260 AromaticContact CD2-CD2 3.95Å; F68-Y260 HydrophobicContact CD2-CD2 3.95Å; F68-Y260 AromaticContact CE1-CD2 3.86Å; F68-Y260 HydrophobicContact CE1-CD2 3.86Å; F68-Y260 HydrophobicContact CE1-CE2 4.08Å; F68-Y260 AromaticContact CE2-CD2 3.77Å; F68-Y260 HydrophobicContact CE2-CD2 3.77Å; F68-Y260 AromaticContact CE2-CE2 3.98Å; F68-Y260 HydrophobicContact CE2-CE2 3.98Å; F68-Y260 HydrophobicContact CG-CD2 4.07Å; F68-Y260 AromaticContact CZ-CD2 3.71Å; F68-Y260 HydrophobicContact CZ-CD2 3.71Å; F68-Y260 AromaticContact CZ-CE2 3.68Å; F68-Y260 HydrophobicContact CZ-CE2 3.68Å; F68-T261 WeakPolarHBondContact CE1-O 3.44Å
69	T	98.4	Very high	97.7	Very high	62 Å²	62	54.7 Å²	54.7	38%	0.38	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	153.6	175	55	0	0	0	0	110.9	N62 D256 G257	N62-T69 WeakPolarHBondContact OD1-CA 3.48Å; T69-D256 PolarHBondContact O-N 3.02Å; T69-G257 PolarHBondContact N-O 3.04Å; T69-G257 PolarHBondContact O-N 2.97Å; T69-G257 PolarHBondContact OG1-N 2.93Å
70	M	98.7	Very high	97.7	Very high	13 Å²	13	54.4 Å²	54.4	6%	0.064	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	157.2	171.1	-64.4	167.4	67	0	0	110.6	I58 H61 N62 F68 D251 H254	I58-M70 HydrophobicContact CB-CB 4.28Å; I58-M70 HydrophobicContact CG1-CB 3.96Å; I58-M70 HydrophobicContact CG1-CE 3.93Å; I58-M70 HydrophobicContact CG2-CB 4Å; I58-M70 WeakPolarHBondContact CG2-O 3.49Å; H61-M70 HydrophobicContact CB-CG 4.48Å; H61-M70 HydrophobicContact CB-SD 3.53Å; H61-M70 VanDerWaalsContact CB-SD 3.53Å; N62-M70 PolarHBondContact ND2-O 3.07Å; N62-M70 PolarHBondContact OD1-N 3.33Å; F68-M70 HydrophobicContact CD2-CG 4.43Å; F68-M70 HydrophobicContact CE2-CG 3.79Å; M70-D251 HydrophobicContact CE-CB 4.48Å; M70-D251 HydrophobicContact SD-CB 4.4Å; M70-H254 CarbonylContact C-O 3.48Å; M70-H254 WeakPolarHBondContact CA-O 3.32Å; M70-H254 HydrophobicContact CB-CB 4.19Å; M70-H254 WeakPolarHBondContact CB-O 3.29Å; M70-H254 HydrophobicContact CE-CB 3.65Å; M70-H254 HydrophobicContact CG-CB 4.43Å
71	G	98.3	Very high	97.7	Very high	12 Å²	12	49 Å²	49	12%	0.124	28%	0.277	C	S	.	.			trans	-151.6	157	-177.6	0	0	0	0	0	112.6	N73 H254	G71-N73 PolarHBondContact O-N 2.81Å; G71-H254 PolarHBondContact N-O 2.98Å
72	L	98.3	Very high	97.7	Very high	64 Å²	64	50.4 Å²	50.4	34%	0.335	28%	0.284	S	S	.	.			trans	-69.5	123.4	172.9	-65.3	174.3	0	0	0	109.7	F51 K55 I58 S76	F51-L72 HydrophobicContact CD2-CD2 4.46Å; F51-L72 HydrophobicContact CE2-CD1 4.07Å; F51-L72 HydrophobicContact CE2-CD2 3.74Å; F51-L72 HydrophobicContact CE2-CG 4.45Å; F51-L72 HydrophobicContact CZ-CD1 3.72Å; F51-L72 HydrophobicContact CZ-CD2 4.01Å; K55-L72 HydrophobicContact CB-CD2 4.21Å; K55-L72 HydrophobicContact CG-CD2 4.29Å; I58-L72 HydrophobicContact CD1-CD2 3.68Å; I58-L72 HydrophobicContact CD1-CG 4.32Å; L72-S76 WeakPolarHBondContact CA-OG 3.09Å
73	N	98.5	Very high	97.8	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.027	27%	0.266	C	S	.	.			trans	-131.1	-171.9	176.4	65.7	37.8	0	0	0	111.4	W31 Y35 G71 F75 S76 M253 W300	W31-N73 PolarHBondContact NE1-O 3.03Å; Y35-N73 WeakPolarHBondContact OH-CA 3.39Å; G71-N73 PolarHBondContact O-N 2.81Å; N73-F75 PolarHBondContact O-N 2.85Å; N73-F75 VanDerWaalsContact OD1-CB 3.32Å; N73-F75 WeakPolarHBondContact OD1-CB 3.25Å; N73-F75 WeakPolarHBondContact OD1-CD2 3.08Å; N73-F75 PolarHBondContact OD1-N 2.97Å; N73-S76 PolarHBondContact N-OG 2.97Å; N73-S76 WeakPolarHBondContact O-CB 3.23Å; N73-S76 PolarHBondContact O-N 2.88Å; N73-S76 VanDerWaalsContact O-N 3.11Å; N73-S76 PolarHBondContact O-OG 2.92Å; N73-M253 PolarHBondContact ND2-O 3.34Å; N73-W300 VanDerWaalsContact ND2-CD1 3.31Å
74	Q	98.4	Very high	97.7	Very high	28 Å²	28	46 Å²	46	13%	0.131	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-11.1	-177.8	67	-90.4	19	0	0	115.3	Y35 W296 S299	Y35-Q74 HydrophobicContact CD1-CB 3.54Å; Y35-Q74 HydrophobicContact CE1-CB 3.64Å; Y35-Q74 HydrophobicContact CG-CB 4.38Å; Q74-W296 PolarHBondContact NE2-O 2.86Å; Q74-S299 PolarHBondContact OE1-OG 3.35Å
75	F	98.6	Very high	97.8	Very high	5 Å²	5	52.2 Å²	52.2	2%	0.022	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	0.6	-179.5	-47.9	-56.1	0	0	0	113.1	N73 D77 L78 F83 F87 M253 W296 W300	N73-F75 PolarHBondContact O-N 2.85Å; N73-F75 VanDerWaalsContact OD1-CB 3.32Å; N73-F75 WeakPolarHBondContact OD1-CB 3.25Å; N73-F75 WeakPolarHBondContact OD1-CD2 3.08Å; N73-F75 PolarHBondContact OD1-N 2.97Å; F75-D77 PolarHBondContact O-N 2.83Å; F75-L78 HydrophobicContact CB-CD1 4.42Å; F75-L78 HydrophobicContact CD1-CD1 4.19Å; F75-L78 WeakPolarHBondContact O-CB 3.34Å; F75-L78 PolarHBondContact O-N 3.27Å; F75-F83 HydrophobicContact CB-CD2 4.13Å; F75-F83 HydrophobicContact CB-CE2 4.34Å; F75-F83 AromaticContact CD1-CD2 3.84Å; F75-F83 HydrophobicContact CD1-CD2 3.84Å; F75-F83 AromaticContact CD1-CE2 3.7Å; F75-F83 HydrophobicContact CD1-CE2 3.7Å; F75-F83 HydrophobicContact CD2-CD2 4.32Å; F75-F83 AromaticContact CD2-CE2 3.68Å; F75-F83 HydrophobicContact CD2-CE2 3.68Å; F75-F83 HydrophobicContact CE1-CD2 4.3Å; F75-F83 AromaticContact CE1-CE2 3.79Å; F75-F83 HydrophobicContact CE1-CE2 3.79Å; F75-F83 AromaticContact CE2-CE2 3.77Å; F75-F83 HydrophobicContact CE2-CE2 3.77Å; F75-F83 HydrophobicContact CE2-CZ 4.44Å; F75-F83 AromaticContact CG-CD2 3.84Å; F75-F83 HydrophobicContact CG-CD2 3.84Å; F75-F83 AromaticContact CG-CE2 3.64Å; F75-F83 HydrophobicContact CG-CE2 3.64Å; F75-F83 AromaticContact CZ-CE2 3.81Å; F75-F83 HydrophobicContact CZ-CE2 3.81Å; F75-F87 HydrophobicContact CD1-CE2 4.29Å; F75-F87 HydrophobicContact CD1-CZ 4.22Å; F75-F87 AromaticContact CE1-CD1 4Å; F75-F87 HydrophobicContact CE1-CD1 4Å; F75-F87 HydrophobicContact CE1-CD2 4.46Å; F75-F87 AromaticContact CE1-CE1 3.67Å; F75-F87 HydrophobicContact CE1-CE1 3.67Å; F75-F87 HydrophobicContact CE1-CE2 4.18Å; F75-F87 HydrophobicContact CE1-CG 4.39Å; F75-F87 AromaticContact CE1-CZ 3.78Å; F75-F87 HydrophobicContact CE1-CZ 3.78Å; F75-F87 HydrophobicContact CZ-CD1 4.46Å; F75-F87 HydrophobicContact CZ-CE1 4.44Å; F75-M253 HydrophobicContact CB-CG 3.88Å; F75-M253 HydrophobicContact CB-SD 4.13Å; F75-M253 HydrophobicContact CD2-CG 4.26Å; F75-M253 HydrophobicContact CG-CG 4.35Å; F75-W296 HydrophobicContact CE2-CB 4.04Å; F75-W296 AromaticContact CE2-CD2 4Å; F75-W296 HydrophobicContact CE2-CD2 4Å; F75-W296 AromaticContact CE2-CE3 3.83Å; F75-W296 HydrophobicContact CE2-CE3 3.83Å; F75-W296 HydrophobicContact CE2-CG 4.09Å; F75-W296 HydrophobicContact CZ-CB 3.89Å; F75-W296 HydrophobicContact CZ-CD2 4.19Å; F75-W296 HydrophobicContact CZ-CE3 4.48Å; F75-W296 AromaticContact CZ-CG 3.92Å; F75-W296 HydrophobicContact CZ-CG 3.92Å; F75-W300 AromaticContact CE2-CD1 3.72Å; F75-W300 HydrophobicContact CE2-CG 4.47Å
76	S	98.5	Very high	97.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.9	-170.4	-52.5	0	0	0	0	114.1	F51 N54 L72 N73	F51-S76 VanDerWaalsContact CA-O 3.29Å; F51-S76 WeakPolarHBondContact CA-O 3.07Å; N54-S76 PolarHBondContact ND2-O 2.94Å; L72-S76 WeakPolarHBondContact CA-OG 3.09Å; N73-S76 PolarHBondContact N-OG 2.97Å; N73-S76 WeakPolarHBondContact O-CB 3.23Å; N73-S76 PolarHBondContact O-N 2.88Å; N73-S76 VanDerWaalsContact O-N 3.11Å; N73-S76 PolarHBondContact O-OG 2.92Å
77	D	98.5	Very high	98	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	10.5	175.8	70.3	-21.8	0	0	0	113.8	F28 W31 K37 Y39 R47 I50 F75	F28-D77 HydrophobicContact CE2-CB 4.2Å; W31-D77 HydrophobicContact CH2-CB 3.68Å; W31-D77 WeakPolarHBondContact CH2-OD1 3.36Å; W31-D77 WeakPolarHBondContact CH2-OD2 3.38Å; W31-D77 HydrophobicContact CZ2-CB 4.42Å; W31-D77 HydrophobicContact CZ3-CB 3.82Å; W31-D77 WeakPolarHBondContact CZ3-OD2 3.45Å; K37-D77 IonicContact NZ-OD1 2.82Å; K37-D77 PolarHBondContact NZ-OD1 3.11Å; K37-D77 IonicContact NZ-OD2 3.13Å; K37-D77 PolarHBondContact NZ-OD2 2.86Å; Y39-D77 PolarHBondContact OH-OD2 3.19Å; R47-D77 HydrophobicContact CB-CB 4.29Å; R47-D77 WeakPolarHBondContact CD-O 3.37Å; R47-D77 PolarHBondContact NH1-O 2.98Å; I50-D77 VanDerWaalsContact CG2-C 3.41Å; I50-D77 WeakPolarHBondContact CG2-O 3.32Å; F75-D77 PolarHBondContact O-N 2.83Å
78	L	98.6	Very high	98.1	Very high	25 Å²	25	39.6 Å²	39.6	13%	0.131	21%	0.207	C	C	.	.	S	Bend	trans	-104.5	140.5	176	-56.5	-177.4	0	0	0	110.7	I50 N54 F75 E82 F83 F87	I50-L78 WeakPolarHBondContact CG2-O 3.41Å; N54-L78 PolarHBondContact ND2-O 3.27Å; F75-L78 HydrophobicContact CB-CD1 4.42Å; F75-L78 HydrophobicContact CD1-CD1 4.19Å; F75-L78 WeakPolarHBondContact O-CB 3.34Å; F75-L78 PolarHBondContact O-N 3.27Å; L78-E82 HydrophobicContact CB-CB 4.47Å; L78-F83 HydrophobicContact CD1-CD2 4.45Å; L78-F87 HydrophobicContact CD1-CD2 4.49Å; L78-F87 HydrophobicContact CD1-CE2 3.77Å
79	T	98.7	Very high	98	Very high	52 Å²	52	39.6 Å²	39.6	32%	0.319	21%	0.207	S	C	.	.			trans	-69.7	155.3	160.5	63.5	0	0	0	0	109.4	I50 A81 E82 F83	I50-T79 HydrophobicContact CD1-CG2 3.8Å; I50-T79 HydrophobicContact CG1-CG2 3.91Å; I50-T79 HydrophobicContact CG2-CG2 4.27Å; T79-A81 PolarHBondContact O-N 2.97Å; T79-E82 PolarHBondContact N-OE2 3Å; T79-E82 PolarHBondContact O-N 3.48Å; T79-E82 VanDerWaalsContact OG1-CG 3.27Å; T79-E82 WeakPolarHBondContact OG1-CG 3.25Å; T79-E82 PolarHBondContact OG1-N 3.32Å; T79-E82 PolarHBondContact OG1-OE2 3.3Å; T79-F83 PolarHBondContact O-N 3.24Å
80	F	98.2	Very high	97.6	Very high	56 Å²	56	39.9 Å²	39.9	25%	0.246	21%	0.209	C	C	.	.	H	α-helix	trans	-61.4	-28.3	175.7	-174	-115	0	0	0	112.7	F83 R84 L88 V248 M253	F80-F83 HydrophobicContact CD2-CD1 4.14Å; F80-F83 HydrophobicContact CE2-CD1 4.02Å; F80-F83 PolarHBondContact O-N 3.38Å; F80-R84 VanDerWaalsContact O-CB 3.23Å; F80-R84 WeakPolarHBondContact O-CB 3.39Å; F80-R84 PolarHBondContact O-N 3.18Å; F80-L88 HydrophobicContact CE2-CD1 4.28Å; F80-L88 HydrophobicContact CZ-CD1 4.16Å; F80-V248 HydrophobicContact CE2-CG1 4.21Å; F80-V248 WeakPolarHBondContact CZ-O 3.03Å; F80-M253 HydrophobicContact CD2-SD 4.32Å
81	A	98.3	Very high	96.7	Very high	74 Å²	74	43 Å²	43	61%	0.612	22%	0.223	S	C	*	.	H	α-helix	trans	-67.5	-43.9	175.6	0	0	0	0	0	112.3	T79 K85	T79-A81 PolarHBondContact O-N 2.97Å; A81-K85 WeakPolarHBondContact O-CB 3.37Å; A81-K85 PolarHBondContact O-N 3.35Å; A81-K85 VanDerWaalsContact O-N 3.08Å
82	E	98.3	Very high	95.5	Very high	52 Å²	52	48.1 Å²	48.1	24%	0.243	25%	0.254	C	S	.	.	H	α-helix	trans	-64.1	-44.6	173.1	-70.4	167.2	122	0	0	111.1	R47 L78 T79 R84 K85 S86	R47-E82 IonicContact CZ-OE1 2.69Å; R47-E82 VanDerWaalsContact CZ-OE1 3.25Å; R47-E82 VanDerWaalsContact NH1-CD 3.25Å; R47-E82 IonicContact NH1-OE1 3.91Å; R47-E82 PolarHBondContact NH1-OE1 3.31Å; R47-E82 IonicContact NH1-OE2 2.78Å; R47-E82 PolarHBondContact NH1-OE2 2.96Å; R47-E82 IonicContact NH2-OE1 2.75Å; R47-E82 PolarHBondContact NH2-OE1 3.24Å; L78-E82 HydrophobicContact CB-CB 4.47Å; T79-E82 PolarHBondContact N-OE2 3Å; T79-E82 PolarHBondContact O-N 3.48Å; T79-E82 VanDerWaalsContact OG1-CG 3.27Å; T79-E82 WeakPolarHBondContact OG1-CG 3.25Å; T79-E82 PolarHBondContact OG1-N 3.32Å; T79-E82 PolarHBondContact OG1-OE2 3.3Å; E82-R84 PolarHBondContact O-N 3.43Å; E82-K85 PolarHBondContact O-N 2.97Å; E82-S86 PolarHBondContact O-N 3.02Å; E82-S86 VanDerWaalsContact O-N 3.12Å; E82-S86 PolarHBondContact O-OG 2.81Å
83	F	98.5	Very high	94.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-58.5	-49.6	177.2	179.5	-95.6	0	0	0	111.6	F75 L78 T79 F80 K85 S86 F87 L88 V248 M253 W296	F75-F83 HydrophobicContact CB-CD2 4.13Å; F75-F83 HydrophobicContact CB-CE2 4.34Å; F75-F83 AromaticContact CD1-CD2 3.84Å; F75-F83 HydrophobicContact CD1-CD2 3.84Å; F75-F83 AromaticContact CD1-CE2 3.7Å; F75-F83 HydrophobicContact CD1-CE2 3.7Å; F75-F83 HydrophobicContact CD2-CD2 4.32Å; F75-F83 AromaticContact CD2-CE2 3.68Å; F75-F83 HydrophobicContact CD2-CE2 3.68Å; F75-F83 HydrophobicContact CE1-CD2 4.3Å; F75-F83 AromaticContact CE1-CE2 3.79Å; F75-F83 HydrophobicContact CE1-CE2 3.79Å; F75-F83 AromaticContact CE2-CE2 3.77Å; F75-F83 HydrophobicContact CE2-CE2 3.77Å; F75-F83 HydrophobicContact CE2-CZ 4.44Å; F75-F83 AromaticContact CG-CD2 3.84Å; F75-F83 HydrophobicContact CG-CD2 3.84Å; F75-F83 AromaticContact CG-CE2 3.64Å; F75-F83 HydrophobicContact CG-CE2 3.64Å; F75-F83 AromaticContact CZ-CE2 3.81Å; F75-F83 HydrophobicContact CZ-CE2 3.81Å; L78-F83 HydrophobicContact CD1-CD2 4.45Å; T79-F83 PolarHBondContact O-N 3.24Å; F80-F83 HydrophobicContact CD2-CD1 4.14Å; F80-F83 HydrophobicContact CE2-CD1 4.02Å; F80-F83 PolarHBondContact O-N 3.38Å; F83-K85 VanDerWaalsContact C-N 3.3Å; F83-K85 PolarHBondContact O-N 3.24Å; F83-S86 PolarHBondContact O-N 2.55Å; F83-F87 HydrophobicContact CD2-CB 4.2Å; F83-F87 AromaticContact CD2-CD2 3.65Å; F83-F87 HydrophobicContact CD2-CD2 3.65Å; F83-F87 HydrophobicContact CD2-CE2 4.32Å; F83-F87 HydrophobicContact CD2-CG 4.08Å; F83-F87 HydrophobicContact CE1-CB 4.39Å; F83-F87 HydrophobicContact CE2-CB 3.88Å; F83-F87 AromaticContact CE2-CD2 3.97Å; F83-F87 HydrophobicContact CE2-CD2 3.97Å; F83-F87 AromaticContact CE2-CG 3.92Å; F83-F87 HydrophobicContact CE2-CG 3.92Å; F83-F87 HydrophobicContact CG-CD2 4.29Å; F83-F87 HydrophobicContact CZ-CB 3.99Å; F83-F87 WeakPolarHBondContact O-CB 3.45Å; F83-F87 WeakPolarHBondContact O-CD2 3.23Å; F83-F87 PolarHBondContact O-N 3.27Å; F83-L88 HydrophobicContact CD1-CD1 4.13Å; F83-L88 HydrophobicContact CD1-CG 4.14Å; F83-L88 HydrophobicContact CE1-CD1 4.04Å; F83-L88 HydrophobicContact CE1-CD2 3.81Å; F83-L88 HydrophobicContact CE1-CG 3.85Å; F83-L88 HydrophobicContact CZ-CD2 4.48Å; F83-V248 HydrophobicContact CE1-CG1 4.13Å; F83-M253 HydrophobicContact CB-SD 3.39Å; F83-M253 WeakPolarHBondContact CB-SD 3.42Å; F83-M253 HydrophobicContact CD1-CG 4.17Å; F83-M253 HydrophobicContact CD1-SD 3.84Å; F83-M253 HydrophobicContact CD2-CG 3.83Å; F83-M253 HydrophobicContact CD2-SD 3.55Å; F83-M253 VanDerWaalsContact CD2-SD 3.55Å; F83-M253 HydrophobicContact CE1-CG 4.26Å; F83-M253 HydrophobicContact CE2-CG 3.93Å; F83-M253 HydrophobicContact CE2-SD 4.27Å; F83-M253 HydrophobicContact CG-CG 3.96Å; F83-M253 HydrophobicContact CG-SD 3.29Å; F83-M253 WeakPolarHBondContact CG-SD 3.23Å; F83-M253 HydrophobicContact CZ-CG 4.14Å; F83-W296 HydrophobicContact CE1-CH2 4.15Å; F83-W296 HydrophobicContact CE1-CZ2 4.19Å; F83-W296 HydrophobicContact CZ-CD2 4.39Å; F83-W296 AromaticContact CZ-CE2 3.97Å; F83-W296 HydrophobicContact CZ-CE3 4.39Å; F83-W296 AromaticContact CZ-CH2 3.67Å; F83-W296 HydrophobicContact CZ-CH2 3.67Å; F83-W296 AromaticContact CZ-CZ2 3.62Å; F83-W296 HydrophobicContact CZ-CZ2 3.62Å; F83-W296 HydrophobicContact CZ-CZ3 4.05Å
84	R	97.4	Very high	93.4	Very high	137 Å²	137	51.7 Å²	51.7	52%	0.517	27%	0.273	S	S	.	.	H	α-helix	trans	-58.2	-42.7	178.1	178.4	177	177.3	-179	1	112	F80 E82 S86 L88	F80-R84 VanDerWaalsContact O-CB 3.23Å; F80-R84 WeakPolarHBondContact O-CB 3.39Å; F80-R84 PolarHBondContact O-N 3.18Å; E82-R84 PolarHBondContact O-N 3.43Å; R84-S86 VanDerWaalsContact C-N 3.29Å; R84-S86 PolarHBondContact O-N 3.21Å; R84-L88 HydrophobicContact CB-CD1 4.07Å; R84-L88 HydrophobicContact CG-CB 4.3Å; R84-L88 HydrophobicContact CG-CD1 4.11Å; R84-L88 WeakPolarHBondContact O-CB 3.45Å; R84-L88 PolarHBondContact O-N 2.75Å
85	K	96.9	Very high	92.2	Very high	170 Å²	170	51.3 Å²	51.3	74%	0.739	27%	0.273	S	S	*	.	H	α-helix	trans	-65.4	-33.2	-179.3	-175.1	178.7	176.5	-174.5	0	112.6	A81 E82 F83	A81-K85 WeakPolarHBondContact O-CB 3.37Å; A81-K85 PolarHBondContact O-N 3.35Å; A81-K85 VanDerWaalsContact O-N 3.08Å; E82-K85 PolarHBondContact O-N 2.97Å; F83-K85 VanDerWaalsContact C-N 3.3Å; F83-K85 PolarHBondContact O-N 3.24Å
86	S	96.6	Very high	90.3	Very high	45 Å²	45	55.1 Å²	55.1	32%	0.315	30%	0.301	S	S	.	.	H	α-helix	trans	-101.4	-26.7	-171.7	-59.2	0	0	0	0	114.3	E82 F83 R84 P130 C131	E82-S86 PolarHBondContact O-N 3.02Å; E82-S86 VanDerWaalsContact O-N 3.12Å; E82-S86 PolarHBondContact O-OG 2.81Å; F83-S86 PolarHBondContact O-N 2.55Å; R84-S86 VanDerWaalsContact C-N 3.29Å; R84-S86 PolarHBondContact O-N 3.21Å; S86-P130 CarbonylContact O-C 3.58Å; S86-P130 WeakPolarHBondContact O-CA 3.49Å; S86-C131 CarbonylContact O-C 3.55Å; S86-C131 WeakPolarHBondContact O-CA 3.47Å; S86-C131 PolarHBondContact O-N 3.37Å
87	F	98.3	Very high	88.6	Confident	23 Å²	23	55.8 Å²	55.8	10%	0.101	31%	0.306	C	S	.	.	H	α-helix	trans	-123.1	-14.3	-169.2	-62.9	-88.2	0	0	0	114.5	F75 L78 F83 Q128 G129 P130	F75-F87 HydrophobicContact CD1-CE2 4.29Å; F75-F87 HydrophobicContact CD1-CZ 4.22Å; F75-F87 AromaticContact CE1-CD1 4Å; F75-F87 HydrophobicContact CE1-CD1 4Å; F75-F87 HydrophobicContact CE1-CD2 4.46Å; F75-F87 AromaticContact CE1-CE1 3.67Å; F75-F87 HydrophobicContact CE1-CE1 3.67Å; F75-F87 HydrophobicContact CE1-CE2 4.18Å; F75-F87 HydrophobicContact CE1-CG 4.39Å; F75-F87 AromaticContact CE1-CZ 3.78Å; F75-F87 HydrophobicContact CE1-CZ 3.78Å; F75-F87 HydrophobicContact CZ-CD1 4.46Å; F75-F87 HydrophobicContact CZ-CE1 4.44Å; L78-F87 HydrophobicContact CD1-CD2 4.49Å; L78-F87 HydrophobicContact CD1-CE2 3.77Å; F83-F87 HydrophobicContact CD2-CB 4.2Å; F83-F87 AromaticContact CD2-CD2 3.65Å; F83-F87 HydrophobicContact CD2-CD2 3.65Å; F83-F87 HydrophobicContact CD2-CE2 4.32Å; F83-F87 HydrophobicContact CD2-CG 4.08Å; F83-F87 HydrophobicContact CE1-CB 4.39Å; F83-F87 HydrophobicContact CE2-CB 3.88Å; F83-F87 AromaticContact CE2-CD2 3.97Å; F83-F87 HydrophobicContact CE2-CD2 3.97Å; F83-F87 AromaticContact CE2-CG 3.92Å; F83-F87 HydrophobicContact CE2-CG 3.92Å; F83-F87 HydrophobicContact CG-CD2 4.29Å; F83-F87 HydrophobicContact CZ-CB 3.99Å; F83-F87 WeakPolarHBondContact O-CB 3.45Å; F83-F87 WeakPolarHBondContact O-CD2 3.23Å; F83-F87 PolarHBondContact O-N 3.27Å; F87-Q128 PolarHBondContact O-NE2 2.9Å; F87-G129 WeakPolarHBondContact CD1-O 3.38Å; F87-G129 VanDerWaalsContact CE1-C 3.44Å; F87-G129 WeakPolarHBondContact CE1-O 3.32Å; F87-P130 HydrophobicContact CE1-CB 4.34Å; F87-P130 HydrophobicContact CZ-CB 4.12Å
88	L	97.8	Very high	87.2	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	34%	0.342	C	S	.	.	S	Bend	trans	-108	165.2	-178	-58.2	-175.3	0	0	0	111.3	F80 F83 R84 T90 V248 H274 W296	F80-L88 HydrophobicContact CE2-CD1 4.28Å; F80-L88 HydrophobicContact CZ-CD1 4.16Å; F83-L88 HydrophobicContact CD1-CD1 4.13Å; F83-L88 HydrophobicContact CD1-CG 4.14Å; F83-L88 HydrophobicContact CE1-CD1 4.04Å; F83-L88 HydrophobicContact CE1-CD2 3.81Å; F83-L88 HydrophobicContact CE1-CG 3.85Å; F83-L88 HydrophobicContact CZ-CD2 4.48Å; R84-L88 HydrophobicContact CB-CD1 4.07Å; R84-L88 HydrophobicContact CG-CB 4.3Å; R84-L88 HydrophobicContact CG-CD1 4.11Å; R84-L88 WeakPolarHBondContact O-CB 3.45Å; R84-L88 PolarHBondContact O-N 2.75Å; L88-T90 PolarHBondContact O-N 3.45Å; L88-V248 HydrophobicContact CD1-CB 4.04Å; L88-V248 HydrophobicContact CD1-CG1 4.08Å; L88-V248 HydrophobicContact CD2-CB 4.04Å; L88-V248 HydrophobicContact CD2-CG1 4.2Å; L88-V248 HydrophobicContact CD2-CG2 4.16Å; L88-H274 HydrophobicContact CD2-CB 4.1Å; L88-W296 HydrophobicContact CD2-CZ2 4.12Å
89	L	95.4	Very high	86.3	Confident	7 Å²	7	69.2 Å²	69.2	4%	0.037	37%	0.374	C	S	.	.			trans	-65.1	127.1	174.5	-50.2	172.4	0	0	0	108.8	Q93 G132 N273	L89-Q93 HydrophobicContact CD1-CG 3.81Å; L89-G132 WeakPolarHBondContact CD2-O 3.29Å; L89-N273 VanDerWaalsContact CG-O 3.24Å; L89-N273 WeakPolarHBondContact CG-O 3.37Å; L89-N273 PolarHBondContact N-O 3.42Å
90	T	89.8	Confident	85.5	Confident	68 Å²	68	67.5 Å²	67.5	42%	0.417	37%	0.367	S	S	.	.			trans	-98.8	-24.6	-178.1	54.4	0	0	0	0	112.1	L88 N175	L88-T90 PolarHBondContact O-N 3.45Å; T90-N175 PolarHBondContact N-O 3.15Å; T90-N175 WeakPolarHBondContact OG1-CA 3.46Å; T90-N175 WeakPolarHBondContact OG1-CB 3.35Å; T90-N175 PolarHBondContact OG1-O 3.3Å; T90-N175 PolarHBondContact OG1-OD1 2.83Å
91	E	79.3	Confident	85.1	Confident	79 Å²	79	68.1 Å²	68.1	37%	0.369	38%	0.378	S	S	.	.	S	Bend	trans	-96.3	140.4	174.1	-67.5	-167.2	-174.7	0	0	112.3	Q93 H172 N175	E91-Q93 PolarHBondContact O-N 2.68Å; E91-Q93 PolarHBondContact O-NE2 3.34Å; E91-H172 IonicContact OE2-CD2 3.62Å; E91-H172 PolarHBondContact OE2-CD2 2.73Å; E91-H172 IonicContact OE2-CE1 3.55Å; E91-H172 PolarHBondContact OE2-CE1 3.44Å; E91-H172 IonicContact OE2-CG 3.05Å; E91-H172 IonicContact OE2-ND1 3.69Å; E91-H172 PolarHBondContact OE2-ND1 3.09Å; E91-H172 IonicContact OE2-NE2 2.84Å; E91-H172 PolarHBondContact OE2-NE2 3.46Å; E91-N175 HydrophobicContact CG-CB 4.23Å; E91-N175 PolarHBondContact N-O 3.46Å
92	P	73.3	Confident	84.8	Confident	120 Å²	120	65.4 Å²	65.4	78%	0.779	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-57	129.1	172.1	-22.3	32.6	0	0	0	110.8
93	Q	74.4	Confident	84.4	Confident	16 Å²	16	68.5 Å²	68.5	8%	0.075	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-93.3	135	178.6	-61.4	-51.5	-54.1	0	0	111	L89 E91 C95 G177 L178	L89-Q93 HydrophobicContact CD1-CG 3.81Å; E91-Q93 PolarHBondContact O-N 2.68Å; E91-Q93 PolarHBondContact O-NE2 3.34Å; Q93-C95 PolarHBondContact O-N 3.01Å; Q93-G177 PolarHBondContact OE1-O 3.49Å; Q93-L178 HydrophobicContact CB-CD1 4.01Å; Q93-L178 HydrophobicContact CB-CD2 3.72Å; Q93-L178 HydrophobicContact CB-CG 3.78Å; Q93-L178 HydrophobicContact CG-CD2 4.15Å; Q93-L178 HydrophobicContact CG-CG 4.23Å
94	N	77.1	Confident	83.9	Confident	127 Å²	127	70.1 Å²	70.1	68%	0.679	39%	0.387	S	S	*	.			trans	-90.3	85.9	-179.4	-158.7	-4.3	0	0	0	110.5	S96 L178	N94-S96 PolarHBondContact O-N 2.94Å; N94-L178 VanDerWaalsContact O-CD1 3.22Å; N94-L178 WeakPolarHBondContact O-CD1 3.16Å
95	C	73.8	Confident	83.4	Confident	20 Å²	20	66 Å²	66	14%	0.135	38%	0.379	C	S	.	.			trans	-60.4	100	179.8	-64.9	0	0	0	0	111.1	Q93 A97 T269 C320	Q93-C95 PolarHBondContact O-N 3.01Å; C95-A97 VanDerWaalsContact C-N 3.29Å; C95-A97 PolarHBondContact O-N 3.31Å; C95-T269 HydrophobicContact CB-CG2 4.09Å; C95-C320 HydrophobicContact CB-CB 3.59Å; C95-C320 WeakPolarHBondContact CB-SG 3.2Å; C95-C320 WeakPolarHBondContact SG-CB 3.11Å; C95-C320 CovalentContact SG-SG 2.02Å; C95-C320 PolarHBondContact SG-SG 3.02Å
96	S	59.5	Low	82.7	Confident	85 Å²	85	65 Å²	65	59%	0.594	38%	0.381	S	S	*	.			trans	-73.1	-1.5	-154.5	-173.1	0	0	0	0	116.6	N94	N94-S96 PolarHBondContact O-N 2.94Å
97	A	61.5	Low	81.8	Confident	14 Å²	14	64 Å²	64	12%	0.116	38%	0.378	C	S	.	.			trans	-134.1	86.7	-167.7	0	0	0	0	0	114.1	C95 K99 N223 K226	C95-A97 VanDerWaalsContact C-N 3.29Å; C95-A97 PolarHBondContact O-N 3.31Å; A97-K99 PolarHBondContact O-N 3.21Å; A97-N223 HydrophobicContact CB-CB 3.79Å; A97-K226 VanDerWaalsContact O-CB 3.28Å; A97-K226 WeakPolarHBondContact O-CB 3.44Å; A97-K226 PolarHBondContact O-N 2.99Å; A97-K226 VanDerWaalsContact O-N 3.14Å
98	T	69.4	Low	81.3	Confident	124 Å²	124	69.2 Å²	69.2	76%	0.761	41%	0.414	S	S	*	.	S	Bend	trans	-61.1	-27.3	159.8	50.7	0	0	0	0	111.9
99	K	79.3	Confident	81.1	Confident	183 Å²	183	71.7 Å²	71.7	80%	0.796	42%	0.424	S	S	*	.	S	Bend	trans	-131.8	117.4	169.4	-171.3	177.2	-177.9	-179.8	0	109.7	A97	A97-K99 PolarHBondContact O-N 3.21Å
100	G	82.6	Confident	81.1	Confident	16 Å²	16	74.8 Å²	74.8	17%	0.165	44%	0.444	C	S	.	.			trans	-85.7	172.7	179.1	0	0	0	0	0	113.6	N223 T225	G100-N223 CarbonylContact C-O 3.55Å; G100-N223 WeakPolarHBondContact CA-O 3.3Å; G100-T225 PolarHBondContact N-OG1 3.2Å
101	S	90.4	Very high	81.4	Confident	70 Å²	70	80.2 Å²	80.2	49%	0.49	47%	0.465	S	S	.	.	S	Bend	trans	-98.7	-5.8	174.6	54	0	0	0	0	113.3	N223	S101-N223 PolarHBondContact N-O 2.84Å; S101-N223 PolarHBondContact OG-N 3.4Å
102	H	91.8	Very high	82.2	Confident	16 Å²	16	79.8 Å²	79.8	7%	0.074	47%	0.471	C	S	.	.			trans	-64.4	134.5	176.1	-178.5	77.5	0	0	0	111.8	V222 N223 I224 G231 D234 Y323	H102-V222 HydrophobicContact CB-CG1 3.74Å; H102-N223 PolarHBondContact N-O 2.62Å; H102-I224 HydrophobicContact CB-CB 4.48Å; H102-I224 HydrophobicContact CB-CG1 3.98Å; H102-G231 PolarHBondContact NE2-O 3.01Å; H102-D234 IonicContact CE1-OD2 3.11Å; H102-D234 PolarHBondContact CE1-OD2 3.25Å; H102-D234 VanDerWaalsContact CE1-OD2 3.25Å; H102-D234 IonicContact NE2-OD2 2.92Å; H102-D234 PolarHBondContact NE2-OD2 2.96Å; H102-Y323 AromaticContact ND1-CE1 3.86Å; H102-Y323 AromaticContact ND1-CZ 3.97Å; H102-Y323 PolarHBondContact ND1-OH 3.28Å; H102-Y323 VanDerWaalsContact ND1-OH 3.15Å
103	V	90.1	Very high	83.4	Confident	117 Å²	117	74.3 Å²	74.3	71%	0.709	44%	0.435	S	S	*	.			trans	-114.9	105.8	176.5	-177.3	0	0	0	0	108.7	R238	V103-R238 PolarHBondContact O-NH2 2.92Å
104	S	87.9	Confident	84.6	Confident	35 Å²	35	74.2 Å²	74.2	25%	0.245	44%	0.435	C	S	.	.			trans	-63.2	144.9	177.8	-178.7	0	0	0	0	111.4	N106 Y109	S104-N106 VanDerWaalsContact C-N 3.31Å; S104-N106 PolarHBondContact OG-N 3.46Å; S104-Y109 PolarHBondContact OG-OH 3.27Å
105	S	86.9	Confident	85.6	Confident	50 Å²	50	69 Å²	69	35%	0.35	41%	0.406	S	S	.	.			trans	-77.2	-15.9	171.9	60.6	0	0	0	0	114.1	G107 D234 R238	S105-G107 PolarHBondContact O-N 2.83Å; S105-G107 VanDerWaalsContact O-N 3.07Å; S105-G107 PolarHBondContact OG-N 3.12Å; S105-D234 WeakPolarHBondContact CB-OD1 3.22Å; S105-D234 PolarHBondContact N-OD1 2.97Å; S105-D234 PolarHBondContact OG-OD1 3.34Å; S105-R238 VanDerWaalsContact CB-CZ 3.45Å; S105-R238 PolarHBondContact OG-NE 2.66Å
106	N	81.8	Confident	86.8	Confident	148 Å²	148	72.1 Å²	72.1	79%	0.791	42%	0.415	S	S	*	.			trans	50.3	23.2	-166.6	-60.7	-45.5	0	0	0	113.5	S104	S104-N106 VanDerWaalsContact C-N 3.31Å; S104-N106 PolarHBondContact OG-N 3.46Å
107	G	77.7	Confident	88.6	Confident	24 Å²	24	76.3 Å²	76.3	25%	0.247	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-86.9	164.9	-174.7	0	0	0	0	0	113	S105 Y109	S105-G107 PolarHBondContact O-N 2.83Å; S105-G107 VanDerWaalsContact O-N 3.07Å; S105-G107 PolarHBondContact OG-N 3.12Å; G107-Y109 WeakPolarHBondContact O-CD2 3.38Å; G107-Y109 VanDerWaalsContact O-CE2 3.26Å; G107-Y109 WeakPolarHBondContact O-CE2 3.16Å; G107-Y109 PolarHBondContact O-N 3.17Å
108	P	88.1	Confident	90.3	Very high	133 Å²	133	80.6 Å²	80.6	86%	0.864	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-63.6	134.4	162.9	29.7	-32.8	0	0	0	108.8
109	Y	93.3	Very high	91.5	Very high	54 Å²	54	76.2 Å²	76.2	21%	0.212	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-101	150.4	177.1	-51	-69.1	0	0	0	109.7	S104 G107 M230 L233 D234 A237	S104-Y109 PolarHBondContact OG-OH 3.27Å; G107-Y109 WeakPolarHBondContact O-CD2 3.38Å; G107-Y109 VanDerWaalsContact O-CE2 3.26Å; G107-Y109 WeakPolarHBondContact O-CE2 3.16Å; G107-Y109 PolarHBondContact O-N 3.17Å; Y109-M230 HydrophobicContact CD2-CE 4.13Å; Y109-M230 HydrophobicContact CE2-CE 3.61Å; Y109-L233 VanDerWaalsContact CB-CD2 3.5Å; Y109-L233 HydrophobicContact CD1-CD2 3.84Å; Y109-L233 HydrophobicContact CD2-CD2 3.15Å; Y109-L233 HydrophobicContact CE1-CD2 4.38Å; Y109-L233 HydrophobicContact CE2-CD2 3.77Å; Y109-L233 HydrophobicContact CG-CD2 3.18Å; Y109-D234 HydrophobicContact CE1-CB 3.68Å; Y109-D234 WeakPolarHBondContact CE1-OD1 3.4Å; Y109-D234 PolarHBondContact OH-OD1 3Å; Y109-A237 HydrophobicContact CD1-CB 4Å
110	P	95.4	Very high	92.3	Very high	71 Å²	71	74.7 Å²	74.7	46%	0.461	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-52.7	147.2	169.5	-23.3	33.5	0	0	0	110.8	S112 V113 Y281	P110-S112 PolarHBondContact O-N 3.18Å; P110-V113 HydrophobicContact CB-CG2 4.09Å; P110-V113 HydrophobicContact CG-CG2 4.2Å; P110-Y281 VanDerWaalsContact O-CE2 3.26Å; P110-Y281 WeakPolarHBondContact O-CE2 3.42Å; P110-Y281 PolarHBondContact O-OH 3.2Å
111	E	95	Very high	93	Very high	182 Å²	182	77 Å²	77	85%	0.85	42%	0.418	S	S	*	.	S	Bend	trans	-62.4	-32	178.4	-66.6	179.9	170.1	0	0	112.4
112	S	97.9	Very high	93.4	Very high	70 Å²	70	74.6 Å²	74.6	49%	0.49	40%	0.4	S	S	.	.			trans	-143.6	147.6	175.9	62.9	0	0	0	0	111.9	P110 Y281	P110-S112 PolarHBondContact O-N 3.18Å; S112-Y281 WeakPolarHBondContact CA-O 3.46Å
113	V	98.5	Very high	93.7	Very high	5 Å²	5	74.2 Å²	74.2	3%	0.03	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	134.4	173	171.6	0	0	0	0	108.4	P110 V236 G280 Y281	P110-V113 HydrophobicContact CB-CG2 4.09Å; P110-V113 HydrophobicContact CG-CG2 4.2Å; V113-V236 HydrophobicContact CG1-CG1 4.28Å; V113-G280 CarbonylContact O-C 3.52Å; V113-G280 WeakPolarHBondContact O-CA 3.42Å; V113-Y281 HydrophobicContact CB-CD1 4.31Å; V113-Y281 HydrophobicContact CB-CE1 3.93Å; V113-Y281 HydrophobicContact CG2-CE1 3.98Å; V113-Y281 HydrophobicContact CG2-CE2 4.34Å; V113-Y281 PolarHBondContact N-O 2.69Å; V113-Y281 PolarHBondContact O-N 3.18Å; V113-Y281 VanDerWaalsContact O-O 3.06Å
114	D	98.6	Very high	94.1	Very high	14 Å²	14	72.4 Å²	72.4	8%	0.075	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	103.5	171.2	-172.9	-16.4	0	0	0	108.6	R116 K117 K118 I291	D114-R116 PolarHBondContact O-N 3.43Å; D114-R116 VanDerWaalsContact O-N 3.16Å; D114-R116 WeakPolarHBondContact OD1-CB 3.3Å; D114-R116 WeakPolarHBondContact OD1-CG 3.4Å; D114-R116 IonicContact OD1-CZ 2.9Å; D114-R116 PolarHBondContact OD1-N 2.99Å; D114-R116 VanDerWaalsContact OD1-N 3.08Å; D114-R116 IonicContact OD1-NE 3.39Å; D114-R116 PolarHBondContact OD1-NE 3.35Å; D114-R116 IonicContact OD1-NH2 3.25Å; D114-R116 IonicContact OD2-CZ 3.16Å; D114-R116 IonicContact OD2-NE 2.64Å; D114-R116 PolarHBondContact OD2-NE 2.91Å; D114-R116 IonicContact OD2-NH2 3.28Å; D114-R116 PolarHBondContact OD2-NH2 3.26Å; D114-K117 HydrophobicContact CB-CB 4.33Å; D114-K117 HydrophobicContact CB-CD 4.07Å; D114-K117 HydrophobicContact CB-CG 4.13Å; D114-K117 PolarHBondContact O-N 3.37Å; D114-K117 WeakPolarHBondContact OD2-CE 3.29Å; D114-K117 IonicContact OD2-NZ 3.98Å; D114-K118 PolarHBondContact O-N 2.77Å; D114-I291 HydrophobicContact CB-CD1 4.11Å
115	W	98.7	Very high	94.6	Very high	17 Å²	17	72 Å²	72	6%	0.064	39%	0.392	C	S	.	.	H	α-helix	trans	-62.7	-21.5	-177.3	-77.6	101.7	0	0	0	112.9	K117 K118 Y121 V122 I149 V236 F239 P241 V279	W115-K117 PolarHBondContact O-N 2.87Å; W115-K118 HydrophobicContact CD2-CD 4.26Å; W115-K118 HydrophobicContact CE3-CB 4.32Å; W115-K118 HydrophobicContact CE3-CD 3.96Å; W115-K118 HydrophobicContact CZ3-CD 4.1Å; W115-K118 PolarHBondContact O-N 3.39Å; W115-Y121 AromaticContact CE3-CD2 3.93Å; W115-Y121 HydrophobicContact CE3-CD2 3.93Å; W115-Y121 HydrophobicContact CE3-CG 4.44Å; W115-Y121 HydrophobicContact CZ3-CD2 4.24Å; W115-Y121 HydrophobicContact CZ3-CE2 4.49Å; W115-V122 HydrophobicContact CB-CG2 3.92Å; W115-I149 HydrophobicContact CD2-CD1 4.29Å; W115-I149 HydrophobicContact CE3-CD1 3.71Å; W115-I149 HydrophobicContact CE3-CG1 4.17Å; W115-I149 HydrophobicContact CH2-CD1 3.74Å; W115-I149 HydrophobicContact CH2-CG1 4.38Å; W115-I149 HydrophobicContact CZ2-CD1 4.33Å; W115-I149 HydrophobicContact CZ3-CD1 3.41Å; W115-I149 VanDerWaalsContact CZ3-CD1 3.41Å; W115-I149 HydrophobicContact CZ3-CG1 3.73Å; W115-V236 PolarHBondContact NE1-O 3.36Å; W115-F239 WeakPolarHBondContact CH2-O 3.24Å; W115-F239 WeakPolarHBondContact CZ2-O 3.41Å; W115-P241 HydrophobicContact CB-CG 3.93Å; W115-P241 HydrophobicContact CD2-CG 4.39Å; W115-P241 HydrophobicContact CG-CG 3.74Å; W115-V279 WeakPolarHBondContact CB-O 3.11Å; W115-V279 PolarHBondContact N-O 3.14Å
116	R	98.4	Very high	95.2	Very high	86 Å²	86	71.4 Å²	71.4	33%	0.325	38%	0.383	S	S	.	.	H	α-helix	trans	-68.6	-25.3	173.8	-50.8	171	-63.9	-178.6	5.5	112.2	D114 V122 V279	D114-R116 PolarHBondContact O-N 3.43Å; D114-R116 VanDerWaalsContact O-N 3.16Å; D114-R116 WeakPolarHBondContact OD1-CB 3.3Å; D114-R116 WeakPolarHBondContact OD1-CG 3.4Å; D114-R116 IonicContact OD1-CZ 2.9Å; D114-R116 PolarHBondContact OD1-N 2.99Å; D114-R116 VanDerWaalsContact OD1-N 3.08Å; D114-R116 IonicContact OD1-NE 3.39Å; D114-R116 PolarHBondContact OD1-NE 3.35Å; D114-R116 IonicContact OD1-NH2 3.25Å; D114-R116 IonicContact OD2-CZ 3.16Å; D114-R116 IonicContact OD2-NE 2.64Å; D114-R116 PolarHBondContact OD2-NE 2.91Å; D114-R116 IonicContact OD2-NH2 3.28Å; D114-R116 PolarHBondContact OD2-NH2 3.26Å; R116-V122 HydrophobicContact CG-CB 4.12Å; R116-V122 HydrophobicContact CG-CG1 4.33Å; R116-V122 HydrophobicContact CG-CG2 4.07Å; R116-V279 HydrophobicContact CG-CG2 4.37Å
117	K	98	Very high	96	Very high	173 Å²	173	68.4 Å²	68.4	75%	0.752	37%	0.367	S	S	*	.	H	α-helix	trans	-96.2	-18	179.9	-61.9	-178.8	-174.8	172.6	0	113.1	D114 W115	D114-K117 HydrophobicContact CB-CB 4.33Å; D114-K117 HydrophobicContact CB-CD 4.07Å; D114-K117 HydrophobicContact CB-CG 4.13Å; D114-K117 PolarHBondContact O-N 3.37Å; D114-K117 WeakPolarHBondContact OD2-CE 3.29Å; D114-K117 IonicContact OD2-NZ 3.98Å; W115-K117 PolarHBondContact O-N 2.87Å
118	K	95.9	Very high	97	Very high	104 Å²	104	67.3 Å²	67.3	45%	0.452	36%	0.356	S	S	.	.	H	α-helix	trans	-76.8	-21.3	-179.9	-74	-170.1	171.5	-174.9	0	113.6	D114 W115 Y121	D114-K118 PolarHBondContact O-N 2.77Å; W115-K118 HydrophobicContact CD2-CD 4.26Å; W115-K118 HydrophobicContact CE3-CB 4.32Å; W115-K118 HydrophobicContact CE3-CD 3.96Å; W115-K118 HydrophobicContact CZ3-CD 4.1Å; W115-K118 PolarHBondContact O-N 3.39Å; K118-Y121 HydrophobicContact CB-CD2 4.25Å; K118-Y121 HydrophobicContact CB-CE2 4.29Å
119	G	94.4	Very high	97.5	Very high	33 Å²	33	61.6 Å²	61.6	34%	0.34	32%	0.321	S	S	.	.	S	Bend	trans	164.3	-169.1	-178.8	0	0	0	0	0	111.3	Y121	G119-Y121 PolarHBondContact O-N 2.81Å
120	H	96.1	Very high	97.7	Very high	151 Å²	151	63.3 Å²	63.3	70%	0.699	34%	0.339	S	S	*	.	S	Bend	trans	-83.5	64.4	176.8	-163.3	59	0	0	0	111	L154	H120-L154 VanDerWaalsContact NE2-CD2 3.32Å; H120-L154 WeakPolarHBondContact NE2-CD2 3.13Å
121	Y	98.4	Very high	97.8	Very high	65 Å²	65	60 Å²	60	26%	0.255	32%	0.318	S	S	.	.			trans	-110.3	-10.1	-172.6	-60	-52.8	0	0	0	114.4	W115 K118 G119 S145 A148 I149	W115-Y121 AromaticContact CE3-CD2 3.93Å; W115-Y121 HydrophobicContact CE3-CD2 3.93Å; W115-Y121 HydrophobicContact CE3-CG 4.44Å; W115-Y121 HydrophobicContact CZ3-CD2 4.24Å; W115-Y121 HydrophobicContact CZ3-CE2 4.49Å; K118-Y121 HydrophobicContact CB-CD2 4.25Å; K118-Y121 HydrophobicContact CB-CE2 4.29Å; G119-Y121 PolarHBondContact O-N 2.81Å; Y121-S145 WeakPolarHBondContact O-CA 3.35Å; Y121-S145 VanDerWaalsContact O-CB 3.24Å; Y121-S145 WeakPolarHBondContact O-CB 3.46Å; Y121-S145 PolarHBondContact O-OG 3.41Å; Y121-A148 HydrophobicContact CD1-CB 3.84Å; Y121-A148 WeakPolarHBondContact CE1-O 3.35Å; Y121-I149 HydrophobicContact CD1-CB 4.37Å; Y121-I149 HydrophobicContact CD1-CG1 3.62Å; Y121-I149 HydrophobicContact CD2-CG1 4.33Å; Y121-I149 HydrophobicContact CE1-CB 4.41Å; Y121-I149 HydrophobicContact CE1-CG1 4Å; Y121-I149 HydrophobicContact CG-CG1 3.79Å
122	V	98.6	Very high	98	Very high	18 Å²	18	51.5 Å²	51.5	11%	0.109	28%	0.278	C	S	.	.	S	Bend	trans	-125	122.7	-178	-176.2	0	0	0	0	108.4	W115 R116 V279 K293	W115-V122 HydrophobicContact CB-CG2 3.92Å; R116-V122 HydrophobicContact CG-CB 4.12Å; R116-V122 HydrophobicContact CG-CG1 4.33Å; R116-V122 HydrophobicContact CG-CG2 4.07Å; V122-V279 HydrophobicContact CG1-CG1 4.05Å; V122-V279 HydrophobicContact CG2-CB 4.36Å; V122-V279 HydrophobicContact CG2-CG1 4.17Å; V122-K293 HydrophobicContact CG1-CD 3.96Å
123	T	98.4	Very high	98	Very high	8 Å²	8	48.1 Å²	48.1	5%	0.049	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-65.5	165	177.1	51.3	0	0	0	0	112	E144 L154 L155 Q156 K293	T123-E144 WeakPolarHBondContact CB-OE2 3.3Å; T123-E144 HydrophobicContact CG2-CB 4.18Å; T123-E144 HydrophobicContact CG2-CG 4.26Å; T123-E144 WeakPolarHBondContact CG2-OE2 3.27Å; T123-E144 PolarHBondContact OG1-OE2 3.41Å; T123-L154 HydrophobicContact CG2-CD1 3.8Å; T123-L154 HydrophobicContact CG2-CD2 3.88Å; T123-L154 HydrophobicContact CG2-CG 3.73Å; T123-L155 WeakPolarHBondContact CG2-O 2.99Å; T123-Q156 HydrophobicContact CG2-CG 4.39Å; T123-K293 PolarHBondContact O-NZ 2.83Å; T123-K293 PolarHBondContact OG1-NZ 2.98Å
124	A	98.4	Very high	98	Very high	79 Å²	79	47.9 Å²	47.9	65%	0.653	25%	0.253	S	S	*	.	P	Polyproline II helix	trans	-57.2	157.4	171.4	0	0	0	0	0	111.8	K126 K293	A124-K126 PolarHBondContact O-N 2.83Å; A124-K293 WeakPolarHBondContact O-CE 3.38Å; A124-K293 PolarHBondContact O-NZ 2.88Å
125	V	98.8	Very high	98	Very high	28 Å²	28	47.2 Å²	47.2	17%	0.17	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-68.9	129.5	173.5	173.7	0	0	0	0	109.1	K293 Y305	V125-K293 HydrophobicContact CG2-CG 4.24Å; V125-Y305 HydrophobicContact CG2-CD2 4.03Å; V125-Y305 HydrophobicContact CG2-CE2 3.51Å
126	K	98.8	Very high	98	Very high	36 Å²	36	46.4 Å²	46.4	16%	0.157	25%	0.247	C	C	.	.			trans	-100	180	175.5	-59.9	-176.6	177.4	-180	0	110.7	A124 F137 E144 L157 E159 S295 G297	A124-K126 PolarHBondContact O-N 2.83Å; K126-F137 HydrophobicContact CB-CD1 3.72Å; K126-F137 HydrophobicContact CB-CE1 3.47Å; K126-F137 VanDerWaalsContact CB-CE1 3.47Å; K126-F137 HydrophobicContact CD-CD1 3.96Å; K126-F137 HydrophobicContact CD-CE1 3.77Å; K126-F137 HydrophobicContact CG-CD1 4.43Å; K126-F137 HydrophobicContact CG-CE1 4.27Å; K126-E144 IonicContact NZ-OE1 3.34Å; K126-L157 PolarHBondContact NZ-O 3.25Å; K126-E159 WeakPolarHBondContact CD-OE1 3.45Å; K126-E159 WeakPolarHBondContact CD-OE2 3.46Å; K126-E159 IonicContact NZ-OE1 2.69Å; K126-E159 PolarHBondContact NZ-OE1 2.83Å; K126-E159 IonicContact NZ-OE2 3.5Å; K126-E159 PolarHBondContact NZ-OE2 2.7Å; K126-S295 CarbonylContact O-C 3.56Å; K126-G297 WeakPolarHBondContact O-CA 3.22Å; K126-G297 PolarHBondContact O-N 2.88Å
127	N	98.7	Very high	98.1	Very high	86 Å²	86	43.2 Å²	43.2	46%	0.46	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-132.3	118.3	178.7	-174.4	3.3	0	0	0	110.7	G129 S295	N127-G129 VanDerWaalsContact C-N 3.27Å; N127-G129 PolarHBondContact O-N 3.33Å; N127-G129 PolarHBondContact OD1-N 2.94Å; N127-S295 CarbonylContact C-O 3.59Å; N127-S295 WeakPolarHBondContact CA-O 3.49Å
128	Q	98.6	Very high	98.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.2	C	C	.	.			trans	-73.2	-17.9	-179.9	78	-173.6	74.9	0	0	113.3	F87 C131 F137 Y200 A202 H274 S295	F87-Q128 PolarHBondContact O-NE2 2.9Å; Q128-C131 PolarHBondContact NE2-O 2.96Å; Q128-F137 VanDerWaalsContact CA-CE2 3.47Å; Q128-F137 HydrophobicContact CB-CD2 3.74Å; Q128-F137 HydrophobicContact CB-CE2 3.35Å; Q128-F137 HydrophobicContact CB-CZ 4Å; Q128-Y200 VanDerWaalsContact O-CE1 3.3Å; Q128-Y200 WeakPolarHBondContact O-CE1 3.24Å; Q128-Y200 PolarHBondContact O-OH 2.97Å; Q128-A202 WeakPolarHBondContact O-CB 3.37Å; Q128-H274 PolarHBondContact OE1-CE1 3.39Å; Q128-S295 PolarHBondContact N-O 3.4Å; Q128-S295 PolarHBondContact OE1-OG 2.98Å
129	G	98.1	Very high	98.3	Very high	13 Å²	13	30.1 Å²	30.1	13%	0.134	18%	0.178	C	C	.	.			trans	63.4	-164	-175.2	0	0	0	0	0	112.9	F87 N127 C131	F87-G129 WeakPolarHBondContact CD1-O 3.38Å; F87-G129 VanDerWaalsContact CE1-C 3.44Å; F87-G129 WeakPolarHBondContact CE1-O 3.32Å; N127-G129 VanDerWaalsContact C-N 3.27Å; N127-G129 PolarHBondContact O-N 3.33Å; N127-G129 PolarHBondContact OD1-N 2.94Å; G129-C131 PolarHBondContact O-N 3.4Å
130	P	97.5	Very high	98.5	Very high	91 Å²	91	28.6 Å²	28.6	59%	0.591	16%	0.163	S	C	*	.	S	Bend	trans	-78.7	58.2	-179	35.2	-36.5	0	0	0	111.8	S86 F87	S86-P130 CarbonylContact O-C 3.58Å; S86-P130 WeakPolarHBondContact O-CA 3.49Å; F87-P130 HydrophobicContact CE1-CB 4.34Å; F87-P130 HydrophobicContact CZ-CB 4.12Å
131	C	98.5	Very high	98.6	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.014	13%	0.13	C	C	.	.	S	Bend	trans	-141	133.3	176.5	170.1	0	0	0	0	108.4	S86 Q128 G129 S133 C174 A202	S86-C131 CarbonylContact O-C 3.55Å; S86-C131 WeakPolarHBondContact O-CA 3.47Å; S86-C131 PolarHBondContact O-N 3.37Å; Q128-C131 PolarHBondContact NE2-O 2.96Å; G129-C131 PolarHBondContact O-N 3.4Å; C131-S133 PolarHBondContact O-N 3.2Å; C131-S133 WeakPolarHBondContact SG-CB 3.47Å; C131-S133 PolarHBondContact SG-OG 3.16Å; C131-S133 VanDerWaalsContact SG-OG 3.35Å; C131-C174 HydrophobicContact CB-CB 3.99Å; C131-C174 WeakPolarHBondContact CB-SG 3.48Å; C131-C174 WeakPolarHBondContact SG-CA 3.33Å; C131-C174 WeakPolarHBondContact SG-CB 3.41Å; C131-C174 CovalentContact SG-SG 2.03Å; C131-C174 PolarHBondContact SG-SG 3.49Å; C131-A202 HydrophobicContact CB-CB 4.29Å; C131-A202 WeakPolarHBondContact CB-O 3.48Å
132	G	98.3	Very high	98.6	Very high	2 Å²	2	18.4 Å²	18.4	2%	0.021	12%	0.118	C	C	.	.	S	Bend	trans	-73.9	44.2	176.4	0	0	0	0	0	113.5	L89 C174	L89-G132 WeakPolarHBondContact CD2-O 3.29Å; G132-C174 CarbonylContact C-O 3.6Å; G132-C174 WeakPolarHBondContact CA-O 3.39Å; G132-C174 PolarHBondContact N-O 3.41Å
133	S	98.7	Very high	98.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.113	C	C	.	.			trans	-97.8	12.6	-174.3	55.5	0	0	0	0	114.1	C131 W135 T136 Y200	C131-S133 PolarHBondContact O-N 3.2Å; C131-S133 WeakPolarHBondContact SG-CB 3.47Å; C131-S133 PolarHBondContact SG-OG 3.16Å; C131-S133 VanDerWaalsContact SG-OG 3.35Å; S133-W135 PolarHBondContact O-N 2.98Å; S133-T136 WeakPolarHBondContact O-CB 3.48Å; S133-T136 PolarHBondContact O-N 3.05Å; S133-T136 PolarHBondContact O-OG1 3.23Å; S133-Y200 PolarHBondContact OG-OH 2.93Å
134	C	98.7	Very high	98.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-49.2	-30.8	178.7	55.9	0	0	0	0	114.5	T136 F137 S138 H274 A275	C134-T136 VanDerWaalsContact C-N 3.27Å; C134-T136 PolarHBondContact O-N 2.86Å; C134-F137 PolarHBondContact O-N 3.22Å; C134-S138 PolarHBondContact O-N 3.23Å; C134-H274 WeakPolarHBondContact CB-CE1 3.47Å; C134-H274 WeakPolarHBondContact CB-ND1 3.32Å; C134-H274 PolarHBondContact SG-ND1 3.02Å; C134-A275 WeakPolarHBondContact CB-O 3.45Å; C134-A275 PolarHBondContact SG-N 3.12Å
135	W	98.7	Very high	98.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-58.6	-34.5	173.1	69.3	-86.6	0	0	0	113.4	S133 T139 L162 A166 N171 G173 G176 G177 A182 A275	S133-W135 PolarHBondContact O-N 2.98Å; W135-T139 WeakPolarHBondContact O-CB 3.08Å; W135-T139 PolarHBondContact O-N 3.09Å; W135-T139 PolarHBondContact O-OG1 3.46Å; W135-L162 HydrophobicContact CH2-CB 3.87Å; W135-L162 VanDerWaalsContact CH2-O 3.3Å; W135-L162 WeakPolarHBondContact CH2-O 2.98Å; W135-L162 HydrophobicContact CZ3-CB 4.02Å; W135-A166 HydrophobicContact CH2-CB 4.02Å; W135-A166 HydrophobicContact CZ3-CB 4.42Å; W135-N171 HydrophobicContact CH2-CB 3.42Å; W135-N171 VanDerWaalsContact CH2-CB 3.42Å; W135-N171 HydrophobicContact CZ2-CB 3.81Å; W135-N171 HydrophobicContact CZ3-CB 3.81Å; W135-N171 VanDerWaalsContact CZ3-CG 3.48Å; W135-N171 WeakPolarHBondContact CZ3-OD1 3.46Å; W135-G173 PolarHBondContact NE1-O 3.24Å; W135-G176 VanDerWaalsContact NE1-C 3.35Å; W135-G177 VanDerWaalsContact CB-O 3.23Å; W135-G177 WeakPolarHBondContact CB-O 3.28Å; W135-G177 VanDerWaalsContact CD1-N 3.32Å; W135-A182 HydrophobicContact CE3-CB 3.9Å; W135-A182 HydrophobicContact CZ3-CB 3.62Å; W135-A275 HydrophobicContact CB-CB 4.17Å
136	T	98.9	Very high	98.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-70.9	-44.2	175.9	71.5	0	0	0	0	110.7	S133 C134 S138 T139 T140 E159 L162 V163	S133-T136 WeakPolarHBondContact O-CB 3.48Å; S133-T136 PolarHBondContact O-N 3.05Å; S133-T136 PolarHBondContact O-OG1 3.23Å; C134-T136 VanDerWaalsContact C-N 3.27Å; C134-T136 PolarHBondContact O-N 2.86Å; T136-S138 PolarHBondContact O-N 2.97Å; T136-T139 CarbonylContact O-C 3.51Å; T136-T139 WeakPolarHBondContact O-CA 3.4Å; T136-T139 VanDerWaalsContact O-CB 3.31Å; T136-T139 WeakPolarHBondContact O-CB 3.46Å; T136-T139 PolarHBondContact O-N 2.95Å; T136-T139 VanDerWaalsContact O-N 3.09Å; T136-T140 WeakPolarHBondContact O-CG2 3.26Å; T136-T140 PolarHBondContact O-N 2.79Å; T136-T140 PolarHBondContact O-OG1 2.97Å; T136-E159 WeakPolarHBondContact OG1-CB 3.5Å; T136-E159 WeakPolarHBondContact OG1-CG 3.21Å; T136-L162 HydrophobicContact CG2-CB 3.56Å; T136-L162 HydrophobicContact CG2-CD1 4.34Å; T136-V163 HydrophobicContact CG2-CG2 3.84Å
137	F	98.9	Very high	98.6	Very high	19 Å²	19	11.4 Å²	11.4	8%	0.083	7%	0.07	C	C	.	.	H	α-helix	trans	-64.9	-37.1	177	-70.4	-87.8	0	0	0	113	K126 Q128 C134 T140 G141 E159 Y200	K126-F137 HydrophobicContact CB-CD1 3.72Å; K126-F137 HydrophobicContact CB-CE1 3.47Å; K126-F137 VanDerWaalsContact CB-CE1 3.47Å; K126-F137 HydrophobicContact CD-CD1 3.96Å; K126-F137 HydrophobicContact CD-CE1 3.77Å; K126-F137 HydrophobicContact CG-CD1 4.43Å; K126-F137 HydrophobicContact CG-CE1 4.27Å; Q128-F137 VanDerWaalsContact CA-CE2 3.47Å; Q128-F137 HydrophobicContact CB-CD2 3.74Å; Q128-F137 HydrophobicContact CB-CE2 3.35Å; Q128-F137 HydrophobicContact CB-CZ 4Å; C134-F137 PolarHBondContact O-N 3.22Å; F137-T140 WeakPolarHBondContact CA-OG1 3.36Å; F137-T140 PolarHBondContact O-OG1 2.87Å; F137-G141 PolarHBondContact O-N 2.64Å; F137-E159 HydrophobicContact CB-CG 4.47Å; F137-E159 HydrophobicContact CD1-CG 3.64Å; F137-E159 HydrophobicContact CD2-CG 3.92Å; F137-E159 HydrophobicContact CE1-CB 4.38Å; F137-E159 HydrophobicContact CE1-CG 3.64Å; F137-E159 HydrophobicContact CE2-CB 4.16Å; F137-E159 HydrophobicContact CE2-CG 3.92Å; F137-E159 HydrophobicContact CG-CG 3.78Å; F137-E159 HydrophobicContact CZ-CB 4.08Å; F137-E159 HydrophobicContact CZ-CG 3.79Å; F137-Y200 HydrophobicContact CE2-CE1 4.1Å; F137-Y200 AromaticContact CE2-CE2 3.9Å; F137-Y200 HydrophobicContact CE2-CE2 3.9Å; F137-Y200 AromaticContact CE2-CZ 3.65Å; F137-Y200 AromaticContact CZ-CD1 3.97Å; F137-Y200 HydrophobicContact CZ-CD1 3.97Å; F137-Y200 HydrophobicContact CZ-CD2 4.2Å; F137-Y200 AromaticContact CZ-CE1 3.68Å; F137-Y200 HydrophobicContact CZ-CE1 3.68Å; F137-Y200 AromaticContact CZ-CE2 3.95Å; F137-Y200 HydrophobicContact CZ-CE2 3.95Å; F137-Y200 HydrophobicContact CZ-CG 4.22Å; F137-Y200 AromaticContact CZ-CZ 3.68Å
138	S	98.9	Very high	98.6	Very high	2 Å²	2	7.3 Å²	7.3	1%	0.014	5%	0.048	C	C	.	.	H	α-helix	trans	-62.9	-44.9	170.5	178.6	0	0	0	0	110.6	C134 T136 C142 P179 S243 V276	C134-S138 PolarHBondContact O-N 3.23Å; T136-S138 PolarHBondContact O-N 2.97Å; S138-C142 WeakPolarHBondContact O-CB 3.27Å; S138-C142 PolarHBondContact O-N 3.38Å; S138-C142 VanDerWaalsContact O-N 3.11Å; S138-P179 WeakPolarHBondContact OG-CG 3.48Å; S138-S243 PolarHBondContact O-OG 3.36Å; S138-S243 WeakPolarHBondContact OG-CB 3.36Å; S138-S243 PolarHBondContact OG-OG 3.41Å; S138-V276 PolarHBondContact OG-O 2.46Å; S138-V276 VanDerWaalsContact OG-O 3.05Å
139	T	98.9	Very high	98.5	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-62.3	-55.7	179.3	-57.5	0	0	0	0	111.7	W135 T136 C142 L143 L162 P179 A182 F183 I186	W135-T139 WeakPolarHBondContact O-CB 3.08Å; W135-T139 PolarHBondContact O-N 3.09Å; W135-T139 PolarHBondContact O-OG1 3.46Å; T136-T139 CarbonylContact O-C 3.51Å; T136-T139 WeakPolarHBondContact O-CA 3.4Å; T136-T139 VanDerWaalsContact O-CB 3.31Å; T136-T139 WeakPolarHBondContact O-CB 3.46Å; T136-T139 PolarHBondContact O-N 2.95Å; T136-T139 VanDerWaalsContact O-N 3.09Å; T139-C142 PolarHBondContact O-N 3.46Å; T139-L143 PolarHBondContact O-N 3.03Å; T139-L162 HydrophobicContact CG2-CD1 3.67Å; T139-P179 WeakPolarHBondContact OG1-CA 3.41Å; T139-A182 HydrophobicContact CG2-CB 3.56Å; T139-A182 WeakPolarHBondContact OG1-CB 3.05Å; T139-F183 HydrophobicContact CG2-CD1 3.58Å; T139-F183 HydrophobicContact CG2-CE1 3.39Å; T139-F183 HydrophobicContact CG2-CG 4.44Å; T139-F183 HydrophobicContact CG2-CZ 4.11Å; T139-F183 WeakPolarHBondContact O-CE1 3.5Å; T139-I186 HydrophobicContact CG2-CD1 3.9Å
140	T	98.9	Very high	98.5	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.006	7%	0.072	C	C	.	.	H	α-helix	trans	-61.4	-49.1	-179.5	52.4	0	0	0	0	110.1	T136 F137 C142 L143 E144 L157 E159 L162 I192	T136-T140 WeakPolarHBondContact O-CG2 3.26Å; T136-T140 PolarHBondContact O-N 2.79Å; T136-T140 PolarHBondContact O-OG1 2.97Å; F137-T140 WeakPolarHBondContact CA-OG1 3.36Å; F137-T140 PolarHBondContact O-OG1 2.87Å; T140-C142 VanDerWaalsContact C-N 3.27Å; T140-C142 PolarHBondContact O-N 3.23Å; T140-L143 PolarHBondContact O-N 2.8Å; T140-L143 VanDerWaalsContact O-N 3.11Å; T140-E144 VanDerWaalsContact O-CB 3.25Å; T140-E144 WeakPolarHBondContact O-CB 3.4Å; T140-E144 WeakPolarHBondContact O-CG 3.48Å; T140-E144 PolarHBondContact O-N 3.33Å; T140-L157 HydrophobicContact CG2-CB 3.89Å; T140-E159 VanDerWaalsContact CB-OE1 3.29Å; T140-E159 WeakPolarHBondContact CB-OE1 3.39Å; T140-E159 HydrophobicContact CG2-CG 3.93Å; T140-E159 PolarHBondContact OG1-OE1 2.89Å; T140-L162 HydrophobicContact CG2-CD1 4.09Å; T140-I192 HydrophobicContact CG2-CD1 4.22Å
141	G	98.9	Very high	98.4	Very high	2 Å²	2	10.3 Å²	10.3	2%	0.021	7%	0.065	C	C	.	.	H	α-helix	trans	-57.3	-38.3	179.5	0	0	0	0	0	113.7	F137 S145 L277	F137-G141 PolarHBondContact O-N 2.64Å; G141-S145 WeakPolarHBondContact O-CB 3.13Å; G141-S145 PolarHBondContact O-N 2.96Å; G141-S145 PolarHBondContact O-OG 3.41Å; G141-L277 VanDerWaalsContact C-CD2 3.49Å
142	C	98.9	Very high	98.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-68.4	-50.3	174.5	-171.8	0	0	0	0	111.6	S138 T139 T140 E144 S145 V146 F183 P241 S243 L277 P324	S138-C142 WeakPolarHBondContact O-CB 3.27Å; S138-C142 PolarHBondContact O-N 3.38Å; S138-C142 VanDerWaalsContact O-N 3.11Å; T139-C142 PolarHBondContact O-N 3.46Å; T140-C142 VanDerWaalsContact C-N 3.27Å; T140-C142 PolarHBondContact O-N 3.23Å; C142-E144 PolarHBondContact O-N 3.35Å; C142-S145 WeakPolarHBondContact O-CB 3.11Å; C142-S145 PolarHBondContact O-N 3.09Å; C142-V146 WeakPolarHBondContact O-CB 3.43Å; C142-V146 VanDerWaalsContact O-CG2 3.29Å; C142-V146 WeakPolarHBondContact O-CG2 3.37Å; C142-V146 PolarHBondContact O-N 2.97Å; C142-F183 HydrophobicContact CB-CE1 4.34Å; C142-F183 HydrophobicContact CB-CZ 3.78Å; C142-P241 PolarHBondContact SG-O 3.42Å; C142-S243 VanDerWaalsContact CB-OG 3.29Å; C142-S243 WeakPolarHBondContact CB-OG 3.3Å; C142-L277 HydrophobicContact CB-CD1 3.56Å; C142-P324 WeakPolarHBondContact SG-CD 3.23Å
143	L	98.8	Very high	98.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-66.4	-37.2	-178.7	-178	58	0	0	0	112.8	T139 T140 S145 V146 T147 L157 F183 I186 I192 A216 V218 P324	T139-L143 PolarHBondContact O-N 3.03Å; T140-L143 PolarHBondContact O-N 2.8Å; T140-L143 VanDerWaalsContact O-N 3.11Å; L143-S145 VanDerWaalsContact C-N 3.33Å; L143-V146 PolarHBondContact O-N 3.15Å; L143-T147 VanDerWaalsContact O-CB 3.26Å; L143-T147 WeakPolarHBondContact O-CB 3.49Å; L143-T147 PolarHBondContact O-N 3.1Å; L143-T147 PolarHBondContact O-OG1 3.28Å; L143-L157 HydrophobicContact CB-CD1 4Å; L143-L157 HydrophobicContact CD2-CD1 3.78Å; L143-L157 HydrophobicContact CG-CD1 3.76Å; L143-F183 HydrophobicContact CB-CE1 4.35Å; L143-I186 HydrophobicContact CD2-CD1 3.78Å; L143-I186 HydrophobicContact CD2-CG2 4.2Å; L143-I192 HydrophobicContact CD2-CG2 3.84Å; L143-A216 HydrophobicContact CD2-CB 4.15Å; L143-A216 HydrophobicContact CG-CB 4.32Å; L143-V218 HydrophobicContact CD1-CG2 3.93Å; L143-V218 HydrophobicContact CD2-CG2 3.97Å; L143-P324 HydrophobicContact CB-CG 4.25Å; L143-P324 HydrophobicContact CD1-CB 4.34Å; L143-P324 HydrophobicContact CD1-CG 3.9Å
144	E	98.8	Very high	98	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-56.3	-48.8	171	-72.2	169.9	169.6	0	0	110.2	T123 K126 T140 C142 T147 A148 L154 L155 Q156 L157	T123-E144 WeakPolarHBondContact CB-OE2 3.3Å; T123-E144 HydrophobicContact CG2-CB 4.18Å; T123-E144 HydrophobicContact CG2-CG 4.26Å; T123-E144 WeakPolarHBondContact CG2-OE2 3.27Å; T123-E144 PolarHBondContact OG1-OE2 3.41Å; K126-E144 IonicContact NZ-OE1 3.34Å; T140-E144 VanDerWaalsContact O-CB 3.25Å; T140-E144 WeakPolarHBondContact O-CB 3.4Å; T140-E144 WeakPolarHBondContact O-CG 3.48Å; T140-E144 PolarHBondContact O-N 3.33Å; C142-E144 PolarHBondContact O-N 3.35Å; E144-T147 PolarHBondContact O-N 3.38Å; E144-A148 WeakPolarHBondContact O-CB 3.4Å; E144-A148 PolarHBondContact O-N 3.08Å; E144-L154 HydrophobicContact CB-CD1 4.41Å; E144-L155 VanDerWaalsContact CG-O 3.23Å; E144-L155 WeakPolarHBondContact CG-O 3.24Å; E144-Q156 WeakPolarHBondContact OE1-CA 3.18Å; E144-L157 HydrophobicContact CG-CB 4.2Å; E144-L157 HydrophobicContact CG-CD1 3.85Å; E144-L157 HydrophobicContact CG-CG 3.69Å; E144-L157 PolarHBondContact OE1-N 3.44Å
145	S	98.8	Very high	97.9	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.007	15%	0.147	C	C	.	.	H	α-helix	trans	-64.7	-47	179.4	-54.8	0	0	0	0	112	Y121 G141 C142 L143 T147 A148 I149	Y121-S145 WeakPolarHBondContact O-CA 3.35Å; Y121-S145 VanDerWaalsContact O-CB 3.24Å; Y121-S145 WeakPolarHBondContact O-CB 3.46Å; Y121-S145 PolarHBondContact O-OG 3.41Å; G141-S145 WeakPolarHBondContact O-CB 3.13Å; G141-S145 PolarHBondContact O-N 2.96Å; G141-S145 PolarHBondContact O-OG 3.41Å; C142-S145 WeakPolarHBondContact O-CB 3.11Å; C142-S145 PolarHBondContact O-N 3.09Å; L143-S145 VanDerWaalsContact C-N 3.33Å; S145-T147 VanDerWaalsContact C-N 3.31Å; S145-T147 PolarHBondContact O-N 2.77Å; S145-A148 PolarHBondContact O-N 3.49Å; S145-I149 WeakPolarHBondContact O-CB 3.34Å; S145-I149 WeakPolarHBondContact O-CD1 3.26Å; S145-I149 WeakPolarHBondContact O-CG1 3.46Å; S145-I149 PolarHBondContact O-N 3.02Å
146	V	98.2	Very high	97.9	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.024	17%	0.172	C	C	.	.	H	α-helix	trans	-59.6	-43.2	177.7	169.1	0	0	0	0	111.2	C142 L143 I149 A150 N240 P324 P326	C142-V146 WeakPolarHBondContact O-CB 3.43Å; C142-V146 VanDerWaalsContact O-CG2 3.29Å; C142-V146 WeakPolarHBondContact O-CG2 3.37Å; C142-V146 PolarHBondContact O-N 2.97Å; L143-V146 PolarHBondContact O-N 3.15Å; V146-I149 PolarHBondContact O-N 2.89Å; V146-A150 WeakPolarHBondContact O-CB 3.39Å; V146-A150 PolarHBondContact O-N 3.41Å; V146-N240 HydrophobicContact CG2-CB 3.7Å; V146-N240 VanDerWaalsContact CG2-CG 3.46Å; V146-P324 HydrophobicContact CB-CG 4.46Å; V146-P324 HydrophobicContact CG2-CG 4.16Å; V146-P326 HydrophobicContact CG1-CB 3.86Å; V146-P326 VanDerWaalsContact CG1-CD 3.41Å; V146-P326 HydrophobicContact CG1-CG 3.66Å
147	T	97.8	Very high	97.9	Very high	15 Å²	15	29.7 Å²	29.7	9%	0.092	17%	0.172	C	C	.	.	H	α-helix	trans	-65.6	-44.1	177.5	-57.3	0	0	0	0	111.1	L143 E144 S145 I149 A150 T151 L155	L143-T147 VanDerWaalsContact O-CB 3.26Å; L143-T147 WeakPolarHBondContact O-CB 3.49Å; L143-T147 PolarHBondContact O-N 3.1Å; L143-T147 PolarHBondContact O-OG1 3.28Å; E144-T147 PolarHBondContact O-N 3.38Å; S145-T147 VanDerWaalsContact C-N 3.31Å; S145-T147 PolarHBondContact O-N 2.77Å; T147-I149 PolarHBondContact O-N 3.31Å; T147-A150 PolarHBondContact O-N 2.04Å; T147-T151 HydrophobicContact CG2-CG2 4.45Å; T147-T151 WeakPolarHBondContact O-CB 3.23Å; T147-T151 PolarHBondContact O-N 2.93Å; T147-T151 PolarHBondContact O-OG1 3.49Å; T147-L155 HydrophobicContact CG2-CD1 4.17Å
148	A	98.1	Very high	97.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.5	-40.3	178	0	0	0	0	0	112.2	Y121 E144 S145 G152 K153 L154	Y121-A148 HydrophobicContact CD1-CB 3.84Å; Y121-A148 WeakPolarHBondContact CE1-O 3.35Å; E144-A148 WeakPolarHBondContact O-CB 3.4Å; E144-A148 PolarHBondContact O-N 3.08Å; S145-A148 PolarHBondContact O-N 3.49Å; A148-G152 WeakPolarHBondContact O-CA 3.25Å; A148-G152 PolarHBondContact O-N 3.44Å; A148-K153 VanDerWaalsContact CA-O 3.3Å; A148-K153 WeakPolarHBondContact CA-O 3.18Å; A148-K153 PolarHBondContact N-O 3.38Å; A148-L154 HydrophobicContact CB-CB 4.1Å; A148-L154 HydrophobicContact CB-CD1 3.61Å; A148-L154 HydrophobicContact CB-CG 4.48Å
149	I	97.9	Very high	97.9	Very high	52 Å²	52	28.8 Å²	28.8	27%	0.267	17%	0.168	S	C	.	.	H	α-helix	trans	-63.5	-43.6	176.3	-69.6	162.3	0	0	0	110.8	W115 Y121 S145 V146 T147 N240	W115-I149 HydrophobicContact CD2-CD1 4.29Å; W115-I149 HydrophobicContact CE3-CD1 3.71Å; W115-I149 HydrophobicContact CE3-CG1 4.17Å; W115-I149 HydrophobicContact CH2-CD1 3.74Å; W115-I149 HydrophobicContact CH2-CG1 4.38Å; W115-I149 HydrophobicContact CZ2-CD1 4.33Å; W115-I149 HydrophobicContact CZ3-CD1 3.41Å; W115-I149 VanDerWaalsContact CZ3-CD1 3.41Å; W115-I149 HydrophobicContact CZ3-CG1 3.73Å; Y121-I149 HydrophobicContact CD1-CB 4.37Å; Y121-I149 HydrophobicContact CD1-CG1 3.62Å; Y121-I149 HydrophobicContact CD2-CG1 4.33Å; Y121-I149 HydrophobicContact CE1-CB 4.41Å; Y121-I149 HydrophobicContact CE1-CG1 4Å; Y121-I149 HydrophobicContact CG-CG1 3.79Å; S145-I149 WeakPolarHBondContact O-CB 3.34Å; S145-I149 WeakPolarHBondContact O-CD1 3.26Å; S145-I149 WeakPolarHBondContact O-CG1 3.46Å; S145-I149 PolarHBondContact O-N 3.02Å; V146-I149 PolarHBondContact O-N 2.89Å; T147-I149 PolarHBondContact O-N 3.31Å; I149-N240 HydrophobicContact CD1-CB 3.72Å
150	A	96.6	Very high	97.9	Very high	45 Å²	45	28.9 Å²	28.9	37%	0.372	17%	0.168	S	C	.	.	H	α-helix	trans	-76.2	-35.9	-177	0	0	0	0	0	113.7	V146 T147 P326 L328	V146-A150 WeakPolarHBondContact O-CB 3.39Å; V146-A150 PolarHBondContact O-N 3.41Å; T147-A150 PolarHBondContact O-N 2.04Å; A150-P326 HydrophobicContact CB-CB 4.26Å; A150-P326 HydrophobicContact CB-CG 3.75Å; A150-L328 HydrophobicContact CB-CD2 4.14Å
151	T	95.7	Very high	97.9	Very high	71 Å²	71	28.8 Å²	28.8	44%	0.436	17%	0.168	S	C	.	.	H	α-helix	trans	-118.1	-12.3	-167.5	71	0	0	0	0	114.4	T147 K153	T147-T151 HydrophobicContact CG2-CG2 4.45Å; T147-T151 WeakPolarHBondContact O-CB 3.23Å; T147-T151 PolarHBondContact O-N 2.93Å; T147-T151 PolarHBondContact O-OG1 3.49Å; T151-K153 PolarHBondContact O-N 3.42Å; T151-K153 PolarHBondContact OG1-N 2.57Å
152	G	95.8	Very high	97.9	Very high	66 Å²	66	28.7 Å²	28.7	68%	0.68	17%	0.167	S	C	*	.	S	Bend	trans	76	2.5	-171	0	0	0	0	0	114.7	A148	A148-G152 WeakPolarHBondContact O-CA 3.25Å; A148-G152 PolarHBondContact O-N 3.44Å
153	K	94.8	Very high	97.9	Very high	145 Å²	145	28.7 Å²	28.7	63%	0.63	17%	0.167	S	C	*	.			trans	-106.6	113.6	-179.6	-63.4	-179.1	-179.2	178.5	0	111.2	A148 T151	A148-K153 VanDerWaalsContact CA-O 3.3Å; A148-K153 WeakPolarHBondContact CA-O 3.18Å; A148-K153 PolarHBondContact N-O 3.38Å; T151-K153 PolarHBondContact O-N 3.42Å; T151-K153 PolarHBondContact OG1-N 2.57Å
154	L	97.4	Very high	97.9	Very high	40 Å²	40	29 Å²	29	21%	0.209	17%	0.168	C	C	.	.			trans	-86.6	111.1	171.8	-168.6	67	0	0	0	109.6	H120 T123 E144 A148	H120-L154 VanDerWaalsContact NE2-CD2 3.32Å; H120-L154 WeakPolarHBondContact NE2-CD2 3.13Å; T123-L154 HydrophobicContact CG2-CD1 3.8Å; T123-L154 HydrophobicContact CG2-CD2 3.88Å; T123-L154 HydrophobicContact CG2-CG 3.73Å; E144-L154 HydrophobicContact CB-CD1 4.41Å; A148-L154 HydrophobicContact CB-CB 4.1Å; A148-L154 HydrophobicContact CB-CD1 3.61Å; A148-L154 HydrophobicContact CB-CG 4.48Å
155	L	96.9	Very high	97.9	Very high	44 Å²	44	29.7 Å²	29.7	23%	0.23	17%	0.173	C	C	.	.			trans	-94.9	159.1	176.9	-58.2	176.6	0	0	0	110	T123 E144 T147 L157 A215 A216	T123-L155 WeakPolarHBondContact CG2-O 2.99Å; E144-L155 VanDerWaalsContact CG-O 3.23Å; E144-L155 WeakPolarHBondContact CG-O 3.24Å; T147-L155 HydrophobicContact CG2-CD1 4.17Å; L155-L157 HydrophobicContact CB-CD2 3.97Å; L155-L157 HydrophobicContact CB-CG 4.46Å; L155-L157 HydrophobicContact CD1-CD2 4.25Å; L155-A215 HydrophobicContact CD1-CB 4.28Å; L155-A215 WeakPolarHBondContact CD1-O 3.26Å; L155-A216 HydrophobicContact CD1-CB 4.27Å
156	Q	98.3	Very high	97.9	Very high	115 Å²	115	29.6 Å²	29.6	54%	0.537	17%	0.173	S	C	.	.			trans	-107.9	112.2	162.8	-67.1	-171.5	66.9	0	0	107.5	T123 E144 T194 E195	T123-Q156 HydrophobicContact CG2-CG 4.39Å; E144-Q156 WeakPolarHBondContact OE1-CA 3.18Å; Q156-T194 CarbonylContact O-C 3.36Å; Q156-T194 VanDerWaalsContact O-CA 3.25Å; Q156-T194 WeakPolarHBondContact O-CA 3.43Å; Q156-T194 WeakPolarHBondContact O-CB 3.44Å; Q156-E195 HydrophobicContact CB-CB 4.12Å; Q156-E195 PolarHBondContact O-N 2.95Å
157	L	98.8	Very high	97.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-94.7	152.7	-174.6	-58.6	179	0	0	0	111	K126 T140 L143 E144 L155 E159 I192 A216	K126-L157 PolarHBondContact NZ-O 3.25Å; T140-L157 HydrophobicContact CG2-CB 3.89Å; L143-L157 HydrophobicContact CB-CD1 4Å; L143-L157 HydrophobicContact CD2-CD1 3.78Å; L143-L157 HydrophobicContact CG-CD1 3.76Å; E144-L157 HydrophobicContact CG-CB 4.2Å; E144-L157 HydrophobicContact CG-CD1 3.85Å; E144-L157 HydrophobicContact CG-CG 3.69Å; E144-L157 PolarHBondContact OE1-N 3.44Å; L155-L157 HydrophobicContact CB-CD2 3.97Å; L155-L157 HydrophobicContact CB-CG 4.46Å; L155-L157 HydrophobicContact CD1-CD2 4.25Å; L157-E159 PolarHBondContact O-N 2.66Å; L157-I192 HydrophobicContact CB-CD1 4.42Å; L157-I192 HydrophobicContact CD1-CG2 3.96Å; L157-I192 HydrophobicContact CD2-CG2 4.2Å; L157-I192 HydrophobicContact CG-CG2 4.47Å; L157-A216 HydrophobicContact CD1-CB 3.83Å; L157-A216 HydrophobicContact CD2-CB 3.7Å; L157-A216 HydrophobicContact CG-CB 4.43Å
158	S	98.9	Very high	97.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.223	C	C	.	.			trans	-76.7	110.4	-177.2	176.5	0	0	0	0	111.9	Q160 Q161 M193 Y198	S158-Q160 PolarHBondContact OG-N 3.25Å; S158-Q161 PolarHBondContact OG-N 3.43Å; S158-M193 PolarHBondContact N-O 3.43Å; S158-Y198 VanDerWaalsContact CB-O 3.27Å; S158-Y198 WeakPolarHBondContact CB-O 3.37Å; S158-Y198 WeakPolarHBondContact OG-CB 3.31Å; S158-Y198 PolarHBondContact OG-O 2.98Å
159	E	98.9	Very high	97.8	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.009	24%	0.235	C	C	.	.	H	α-helix	trans	-64.6	-33.5	166.4	-74.9	84.3	-161	0	0	112	K126 T136 F137 T140 L157 Q161 L162 V163 Y200	K126-E159 WeakPolarHBondContact CD-OE1 3.45Å; K126-E159 WeakPolarHBondContact CD-OE2 3.46Å; K126-E159 IonicContact NZ-OE1 2.69Å; K126-E159 PolarHBondContact NZ-OE1 2.83Å; K126-E159 IonicContact NZ-OE2 3.5Å; K126-E159 PolarHBondContact NZ-OE2 2.7Å; T136-E159 WeakPolarHBondContact OG1-CB 3.5Å; T136-E159 WeakPolarHBondContact OG1-CG 3.21Å; F137-E159 HydrophobicContact CB-CG 4.47Å; F137-E159 HydrophobicContact CD1-CG 3.64Å; F137-E159 HydrophobicContact CD2-CG 3.92Å; F137-E159 HydrophobicContact CE1-CB 4.38Å; F137-E159 HydrophobicContact CE1-CG 3.64Å; F137-E159 HydrophobicContact CE2-CB 4.16Å; F137-E159 HydrophobicContact CE2-CG 3.92Å; F137-E159 HydrophobicContact CG-CG 3.78Å; F137-E159 HydrophobicContact CZ-CB 4.08Å; F137-E159 HydrophobicContact CZ-CG 3.79Å; T140-E159 VanDerWaalsContact CB-OE1 3.29Å; T140-E159 WeakPolarHBondContact CB-OE1 3.39Å; T140-E159 HydrophobicContact CG2-CG 3.93Å; T140-E159 PolarHBondContact OG1-OE1 2.89Å; L157-E159 PolarHBondContact O-N 2.66Å; E159-Q161 VanDerWaalsContact C-N 3.35Å; E159-Q161 PolarHBondContact O-N 3.11Å; E159-L162 WeakPolarHBondContact O-CB 3.28Å; E159-L162 PolarHBondContact O-N 2.93Å; E159-L162 VanDerWaalsContact O-N 3.08Å; E159-V163 PolarHBondContact O-N 3.07Å; E159-V163 VanDerWaalsContact O-N 3.1Å; E159-Y200 HydrophobicContact CB-CD2 3.72Å; E159-Y200 HydrophobicContact CB-CE2 4.07Å
160	Q	98.9	Very high	97.6	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.009	25%	0.249	C	C	.	.	H	α-helix	trans	-65.5	-36.8	-175.9	-162.1	59.4	45.3	0	0	112.6	S158 L162 V163 D164 Y198 P199 Y200 T201 H203	S158-Q160 PolarHBondContact OG-N 3.25Å; Q160-L162 PolarHBondContact O-N 2.8Å; Q160-V163 WeakPolarHBondContact O-CB 3.43Å; Q160-V163 PolarHBondContact O-N 2.87Å; Q160-V163 VanDerWaalsContact O-N 3.15Å; Q160-D164 PolarHBondContact NE2-OD1 2.76Å; Q160-D164 PolarHBondContact NE2-OD2 3.47Å; Q160-D164 WeakPolarHBondContact O-CB 3.49Å; Q160-D164 VanDerWaalsContact O-CG 3.32Å; Q160-D164 PolarHBondContact O-N 3.07Å; Q160-Y198 HydrophobicContact CB-CD1 3.72Å; Q160-Y198 HydrophobicContact CB-CE1 3.79Å; Q160-Y198 HydrophobicContact CG-CD1 3.87Å; Q160-Y198 HydrophobicContact CG-CE1 3.47Å; Q160-Y198 VanDerWaalsContact CG-CE1 3.47Å; Q160-P199 WeakPolarHBondContact CB-O 3.37Å; Q160-Y200 HydrophobicContact CB-CD2 4.3Å; Q160-Y200 VanDerWaalsContact OE1-CD2 3.31Å; Q160-T201 VanDerWaalsContact CD-OG1 3.26Å; Q160-T201 PolarHBondContact NE2-OG1 3.16Å; Q160-T201 PolarHBondContact OE1-OG1 3.34Å; Q160-T201 VanDerWaalsContact OE1-OG1 3.14Å; Q160-H203 PolarHBondContact NE2-O 2.79Å
161	Q	98.9	Very high	97.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-56.7	-40.1	173.3	-177.7	-175.4	-35.3	0	0	111	S158 E159 D164 C165 Y185 N189 G191 I192 Y198 F209	S158-Q161 PolarHBondContact OG-N 3.43Å; E159-Q161 VanDerWaalsContact C-N 3.35Å; E159-Q161 PolarHBondContact O-N 3.11Å; Q161-D164 PolarHBondContact O-N 2.87Å; Q161-C165 HydrophobicContact CG-CB 4.41Å; Q161-C165 WeakPolarHBondContact O-CB 3.47Å; Q161-C165 PolarHBondContact O-N 3.42Å; Q161-C165 PolarHBondContact O-SG 2.82Å; Q161-C165 VanDerWaalsContact O-SG 3.41Å; Q161-Y185 HydrophobicContact CG-CE1 4.48Å; Q161-Y185 PolarHBondContact NE2-OH 2.92Å; Q161-N189 PolarHBondContact NE2-ND2 3.25Å; Q161-G191 PolarHBondContact NE2-O 3.21Å; Q161-I192 HydrophobicContact CB-CG1 4.5Å; Q161-Y198 HydrophobicContact CB-CD2 3.87Å; Q161-Y198 HydrophobicContact CB-CE2 4.04Å; Q161-Y198 HydrophobicContact CB-CG 4.42Å; Q161-Y198 HydrophobicContact CG-CD2 4.35Å; Q161-Y198 HydrophobicContact CG-CE2 4.32Å; Q161-F209 HydrophobicContact CG-CB 4.43Å; Q161-F209 HydrophobicContact CG-CD2 4.31Å
162	L	98.9	Very high	97.7	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-68.6	-43.5	177.9	-61.3	178.7	0	0	0	111.1	W135 T136 T139 T140 E159 Q160 D164 A166 A182 Y185 I186 I192	W135-L162 HydrophobicContact CH2-CB 3.87Å; W135-L162 VanDerWaalsContact CH2-O 3.3Å; W135-L162 WeakPolarHBondContact CH2-O 2.98Å; W135-L162 HydrophobicContact CZ3-CB 4.02Å; T136-L162 HydrophobicContact CG2-CB 3.56Å; T136-L162 HydrophobicContact CG2-CD1 4.34Å; T139-L162 HydrophobicContact CG2-CD1 3.67Å; T140-L162 HydrophobicContact CG2-CD1 4.09Å; E159-L162 WeakPolarHBondContact O-CB 3.28Å; E159-L162 PolarHBondContact O-N 2.93Å; E159-L162 VanDerWaalsContact O-N 3.08Å; Q160-L162 PolarHBondContact O-N 2.8Å; L162-D164 VanDerWaalsContact C-N 3.28Å; L162-D164 PolarHBondContact O-N 3Å; L162-A166 VanDerWaalsContact O-CB 3.28Å; L162-A166 WeakPolarHBondContact O-CB 3.38Å; L162-A166 PolarHBondContact O-N 2.02Å; L162-A182 HydrophobicContact CD1-CB 4.44Å; L162-A182 HydrophobicContact CD2-CB 4.43Å; L162-Y185 HydrophobicContact CD2-CD1 3.55Å; L162-Y185 HydrophobicContact CD2-CE1 3.72Å; L162-I186 HydrophobicContact CD2-CD1 4.13Å; L162-I186 HydrophobicContact CD2-CG1 4Å; L162-I192 HydrophobicContact CD1-CD1 4.14Å; L162-I192 HydrophobicContact CD2-CD1 3.97Å; L162-I192 HydrophobicContact CG-CD1 3.88Å
163	V	98.9	Very high	97.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-54.6	-46.7	174.9	175.1	0	0	0	0	110.9	T136 E159 Q160 Q167 G173 Y200	T136-V163 HydrophobicContact CG2-CG2 3.84Å; E159-V163 PolarHBondContact O-N 3.07Å; E159-V163 VanDerWaalsContact O-N 3.1Å; Q160-V163 WeakPolarHBondContact O-CB 3.43Å; Q160-V163 PolarHBondContact O-N 2.87Å; Q160-V163 VanDerWaalsContact O-N 3.15Å; V163-Q167 PolarHBondContact O-NE2 2.86Å; V163-G173 WeakPolarHBondContact O-CA 3.41Å; V163-Y200 HydrophobicContact CG2-CE2 4.29Å
164	D	98.9	Very high	98	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.027	17%	0.168	C	C	.	.	H	α-helix	trans	-89.1	-25.3	-168.7	-63.5	-12.8	0	0	0	114.2	Q160 Q161 L162 Q167 Y198 D205 C207	Q160-D164 PolarHBondContact NE2-OD1 2.76Å; Q160-D164 PolarHBondContact NE2-OD2 3.47Å; Q160-D164 WeakPolarHBondContact O-CB 3.49Å; Q160-D164 VanDerWaalsContact O-CG 3.32Å; Q160-D164 PolarHBondContact O-N 3.07Å; Q161-D164 PolarHBondContact O-N 2.87Å; L162-D164 VanDerWaalsContact C-N 3.28Å; L162-D164 PolarHBondContact O-N 3Å; D164-Q167 PolarHBondContact O-NE2 3.49Å; D164-Q167 PolarHBondContact O-OE1 3.33Å; D164-Q167 VanDerWaalsContact O-OE1 3.08Å; D164-Y198 VanDerWaalsContact CB-OH 3.31Å; D164-Y198 WeakPolarHBondContact CB-OH 3.33Å; D164-Y198 WeakPolarHBondContact OD2-CE1 3.32Å; D164-Y198 PolarHBondContact OD2-OH 3.19Å; D164-D205 PolarHBondContact OD1-N 3.37Å; D164-C207 HydrophobicContact CB-CB 4.45Å
165	C	98.8	Very high	97.9	Very high	16 Å²	16	32.3 Å²	32.3	11%	0.108	18%	0.176	C	C	.	.	H	α-helix	trans	-121	-13.4	-165.8	-54.2	0	0	0	0	115.9	Q161 Q167 Y185 C207	Q161-C165 HydrophobicContact CG-CB 4.41Å; Q161-C165 WeakPolarHBondContact O-CB 3.47Å; Q161-C165 PolarHBondContact O-N 3.42Å; Q161-C165 PolarHBondContact O-SG 2.82Å; Q161-C165 VanDerWaalsContact O-SG 3.41Å; C165-Q167 VanDerWaalsContact C-N 3.34Å; C165-Q167 PolarHBondContact O-N 2.68Å; C165-Y185 HydrophobicContact CB-CE2 4.02Å; C165-Y185 WeakPolarHBondContact CB-OH 3.37Å; C165-Y185 WeakPolarHBondContact O-CE2 3.39Å; C165-C207 HydrophobicContact CB-CB 3.92Å; C165-C207 WeakPolarHBondContact CB-SG 3.34Å; C165-C207 WeakPolarHBondContact SG-CA 3.34Å; C165-C207 WeakPolarHBondContact SG-CB 3.45Å; C165-C207 CovalentContact SG-SG 2.04Å; C165-C207 PolarHBondContact SG-SG 2.95Å
166	A	98.4	Very high	97.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.165	C	C	.	.			trans	-90.5	12.1	-168.3	0	0	0	0	0	114.8	W135 L162 A168 F169 N171 Y185	W135-A166 HydrophobicContact CH2-CB 4.02Å; W135-A166 HydrophobicContact CZ3-CB 4.42Å; L162-A166 VanDerWaalsContact O-CB 3.28Å; L162-A166 WeakPolarHBondContact O-CB 3.38Å; L162-A166 PolarHBondContact O-N 2.02Å; A166-A168 VanDerWaalsContact C-N 3.3Å; A166-A168 PolarHBondContact O-N 2.84Å; A166-F169 PolarHBondContact O-N 3.37Å; A166-F169 VanDerWaalsContact O-N 3.09Å; A166-N171 HydrophobicContact CB-CB 4.18Å; A166-N171 PolarHBondContact O-ND2 3.32Å; A166-N171 VanDerWaalsContact O-ND2 3.12Å; A166-Y185 HydrophobicContact CB-CD1 3.86Å; A166-Y185 HydrophobicContact CB-CD2 4.11Å; A166-Y185 HydrophobicContact CB-CE1 4.39Å; A166-Y185 HydrophobicContact CB-CG 3.71Å
167	Q	97.5	Very high	97.8	Very high	87 Å²	87	24.7 Å²	24.7	41%	0.407	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-67.5	-29.3	-170.2	-59.2	80.9	0.1	0	0	113.4	V163 D164 C165 F169 N170 N171	V163-Q167 PolarHBondContact O-NE2 2.86Å; D164-Q167 PolarHBondContact O-NE2 3.49Å; D164-Q167 PolarHBondContact O-OE1 3.33Å; D164-Q167 VanDerWaalsContact O-OE1 3.08Å; C165-Q167 VanDerWaalsContact C-N 3.34Å; C165-Q167 PolarHBondContact O-N 2.68Å; Q167-F169 PolarHBondContact O-N 3.22Å; Q167-N170 PolarHBondContact O-N 3.07Å; Q167-N170 VanDerWaalsContact O-N 3.08Å; Q167-N171 VanDerWaalsContact CA-O 3.23Å; Q167-N171 WeakPolarHBondContact CA-O 3.42Å
168	A	97.5	Very high	97.7	Very high	93 Å²	93	24.8 Å²	24.8	77%	0.769	14%	0.14	S	C	*	.	G	3₁₀ helix	trans	-62.3	-10.5	174.7	0	0	0	0	0	113.9	A166	A166-A168 VanDerWaalsContact C-N 3.3Å; A166-A168 PolarHBondContact O-N 2.84Å
169	F	96.1	Very high	97.7	Very high	55 Å²	55	25 Å²	25	24%	0.241	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-108.8	22.8	178.4	-69.3	-97.6	0	0	0	112.6	A166 Q167 N171 Q181 E184 Y185 Y188	A166-F169 PolarHBondContact O-N 3.37Å; A166-F169 VanDerWaalsContact O-N 3.09Å; Q167-F169 PolarHBondContact O-N 3.22Å; F169-N171 VanDerWaalsContact C-N 3.33Å; F169-Q181 WeakPolarHBondContact O-CB 3.38Å; F169-Q181 WeakPolarHBondContact O-CG 3.43Å; F169-E184 HydrophobicContact CD1-CB 3.78Å; F169-E184 HydrophobicContact CE1-CB 3.96Å; F169-Y185 AromaticContact CD2-CD2 3.97Å; F169-Y185 HydrophobicContact CD2-CD2 3.97Å; F169-Y185 HydrophobicContact CD2-CG 4.29Å; F169-Y185 HydrophobicContact CE2-CD2 4.08Å; F169-Y188 AromaticContact CE1-CD2 3.58Å; F169-Y188 HydrophobicContact CE1-CD2 3.58Å; F169-Y188 HydrophobicContact CE1-CE2 4.31Å; F169-Y188 HydrophobicContact CE1-CG 4.25Å; F169-Y188 AromaticContact CZ-CD2 3.79Å; F169-Y188 HydrophobicContact CZ-CD2 3.79Å; F169-Y188 AromaticContact CZ-CG 3.99Å; F169-Y188 HydrophobicContact CZ-CG 3.99Å
170	N	95	Very high	97.6	Very high	105 Å²	105	25.6 Å²	25.6	56%	0.561	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.7	32.5	-176.8	-57.6	-35.9	0	0	0	114.1	Q167 H172 Q181	Q167-N170 PolarHBondContact O-N 3.07Å; Q167-N170 VanDerWaalsContact O-N 3.08Å; N170-H172 PolarHBondContact O-CE1 3.03Å; N170-H172 PolarHBondContact O-ND1 3.12Å; N170-Q181 PolarHBondContact O-OE1 2.8Å
171	N	96.6	Very high	97.5	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	15%	0.15	C	C	.	.			trans	-98.2	154.2	164.6	-54.8	-72.8	0	0	0	109.6	W135 A166 Q167 F169 G177 L178	W135-N171 HydrophobicContact CH2-CB 3.42Å; W135-N171 VanDerWaalsContact CH2-CB 3.42Å; W135-N171 HydrophobicContact CZ2-CB 3.81Å; W135-N171 HydrophobicContact CZ3-CB 3.81Å; W135-N171 VanDerWaalsContact CZ3-CG 3.48Å; W135-N171 WeakPolarHBondContact CZ3-OD1 3.46Å; A166-N171 HydrophobicContact CB-CB 4.18Å; A166-N171 PolarHBondContact O-ND2 3.32Å; A166-N171 VanDerWaalsContact O-ND2 3.12Å; Q167-N171 VanDerWaalsContact CA-O 3.23Å; Q167-N171 WeakPolarHBondContact CA-O 3.42Å; F169-N171 VanDerWaalsContact C-N 3.33Å; N171-G177 WeakPolarHBondContact OD1-CA 3.36Å; N171-L178 PolarHBondContact OD1-N 3.16Å; N171-L178 VanDerWaalsContact OD1-N 3.07Å
172	H	97.2	Very high	97.4	Very high	63 Å²	63	26.5 Å²	26.5	29%	0.292	15%	0.15	S	C	.	.			trans	-132.4	32.9	-167.3	-51.1	93.6	0	0	0	111.4	E91 N170 C174 N175 G176	E91-H172 IonicContact OE2-CD2 3.62Å; E91-H172 PolarHBondContact OE2-CD2 2.73Å; E91-H172 IonicContact OE2-CE1 3.55Å; E91-H172 PolarHBondContact OE2-CE1 3.44Å; E91-H172 IonicContact OE2-CG 3.05Å; E91-H172 IonicContact OE2-ND1 3.69Å; E91-H172 PolarHBondContact OE2-ND1 3.09Å; E91-H172 IonicContact OE2-NE2 2.84Å; E91-H172 PolarHBondContact OE2-NE2 3.46Å; N170-H172 PolarHBondContact O-CE1 3.03Å; N170-H172 PolarHBondContact O-ND1 3.12Å; H172-C174 PolarHBondContact O-N 3.08Å; H172-N175 HydrophobicContact CB-CB 4.07Å; H172-N175 WeakPolarHBondContact O-CB 3.47Å; H172-N175 PolarHBondContact O-N 3Å; H172-G176 CarbonylContact C-O 3.56Å; H172-G176 WeakPolarHBondContact CA-O 3.41Å; H172-G176 PolarHBondContact N-O 2.78Å
173	G	97.9	Very high	97.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	55.9	-121.3	176.4	0	0	0	0	0	112.6	W135 V163 N175 G176 D204	W135-G173 PolarHBondContact NE1-O 3.24Å; V163-G173 WeakPolarHBondContact O-CA 3.41Å; G173-N175 PolarHBondContact O-N 2.95Å; G173-G176 PolarHBondContact O-N 2.85Å; G173-D204 VanDerWaalsContact CA-OD1 3.24Å; G173-D204 WeakPolarHBondContact CA-OD1 3.31Å
174	C	98.3	Very high	97.4	Very high	19 Å²	19	28.8 Å²	28.8	13%	0.128	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-72	-9.9	177	-71.7	0	0	0	0	114.9	C131 G132 H172 H203 D204	C131-C174 HydrophobicContact CB-CB 3.99Å; C131-C174 WeakPolarHBondContact CB-SG 3.48Å; C131-C174 WeakPolarHBondContact SG-CA 3.33Å; C131-C174 WeakPolarHBondContact SG-CB 3.41Å; C131-C174 CovalentContact SG-SG 2.03Å; C131-C174 PolarHBondContact SG-SG 3.49Å; G132-C174 CarbonylContact C-O 3.6Å; G132-C174 WeakPolarHBondContact CA-O 3.39Å; G132-C174 PolarHBondContact N-O 3.41Å; H172-C174 PolarHBondContact O-N 3.08Å; C174-H203 VanDerWaalsContact SG-CA 3.56Å; C174-D204 PolarHBondContact N-OD1 2.98Å
175	N	96.6	Very high	97.4	Very high	71 Å²	71	28.9 Å²	28.9	38%	0.38	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-88.3	-9.8	175.3	-60.8	-59.3	0	0	0	113	T90 E91 H172 G173	T90-N175 PolarHBondContact N-O 3.15Å; T90-N175 WeakPolarHBondContact OG1-CA 3.46Å; T90-N175 WeakPolarHBondContact OG1-CB 3.35Å; T90-N175 PolarHBondContact OG1-O 3.3Å; T90-N175 PolarHBondContact OG1-OD1 2.83Å; E91-N175 HydrophobicContact CG-CB 4.23Å; E91-N175 PolarHBondContact N-O 3.46Å; H172-N175 HydrophobicContact CB-CB 4.07Å; H172-N175 WeakPolarHBondContact O-CB 3.47Å; H172-N175 PolarHBondContact O-N 3Å; G173-N175 PolarHBondContact O-N 2.95Å
176	G	96.5	Very high	97.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.156	C	C	.	.			trans	129.4	-178.7	170	0	0	0	0	0	114.7	W135 H172 G173	W135-G176 VanDerWaalsContact NE1-C 3.35Å; H172-G176 CarbonylContact C-O 3.56Å; H172-G176 WeakPolarHBondContact CA-O 3.41Å; H172-G176 PolarHBondContact N-O 2.78Å; G173-G176 PolarHBondContact O-N 2.85Å
177	G	96.6	Very high	97.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.165	C	C	.	.			trans	174.7	-178.6	-177.4	0	0	0	0	0	110.5	Q93 W135 N171	Q93-G177 PolarHBondContact OE1-O 3.49Å; W135-G177 VanDerWaalsContact CB-O 3.23Å; W135-G177 WeakPolarHBondContact CB-O 3.28Å; W135-G177 VanDerWaalsContact CD1-N 3.32Å; N171-G177 WeakPolarHBondContact OD1-CA 3.36Å
178	L	96.6	Very high	97.4	Very high	2 Å²	2	33 Å²	33	1%	0.01	17%	0.173	C	C	.	.			trans	-126.5	139.2	177.8	-73.2	174.5	0	0	0	112.1	Q93 N94 N171 S180 Q181 A182	Q93-L178 HydrophobicContact CB-CD1 4.01Å; Q93-L178 HydrophobicContact CB-CD2 3.72Å; Q93-L178 HydrophobicContact CB-CG 3.78Å; Q93-L178 HydrophobicContact CG-CD2 4.15Å; Q93-L178 HydrophobicContact CG-CG 4.23Å; N94-L178 VanDerWaalsContact O-CD1 3.22Å; N94-L178 WeakPolarHBondContact O-CD1 3.16Å; N171-L178 PolarHBondContact OD1-N 3.16Å; N171-L178 VanDerWaalsContact OD1-N 3.07Å; L178-S180 VanDerWaalsContact C-N 3.28Å; L178-S180 PolarHBondContact O-N 2.95Å; L178-Q181 HydrophobicContact CB-CB 4.32Å; L178-Q181 HydrophobicContact CB-CG 4.21Å; L178-Q181 PolarHBondContact O-N 3.31Å; L178-Q181 VanDerWaalsContact O-N 3.09Å; L178-A182 PolarHBondContact O-N 2.75Å
179	P	98.1	Very high	97.4	Very high	4 Å²	4	30.6 Å²	30.6	3%	0.026	15%	0.147	C	C	.	.	H	α-helix	trans	-55.1	-40.5	176.3	-28	35.8	0	0	0	114.1	S138 T139 Q181 A182 F183 A275	S138-P179 WeakPolarHBondContact OG-CG 3.48Å; T139-P179 WeakPolarHBondContact OG1-CA 3.41Å; P179-Q181 VanDerWaalsContact C-N 3.33Å; P179-Q181 PolarHBondContact O-N 2.77Å; P179-A182 WeakPolarHBondContact O-CB 3.32Å; P179-A182 PolarHBondContact O-N 2.66Å; P179-F183 HydrophobicContact CB-CE2 3.91Å; P179-F183 HydrophobicContact CB-CZ 4.29Å; P179-F183 WeakPolarHBondContact O-CD2 3.02Å; P179-F183 VanDerWaalsContact O-CG 3.22Å; P179-F183 WeakPolarHBondContact O-CG 3.17Å; P179-F183 PolarHBondContact O-N 2.86Å; P179-A275 HydrophobicContact CG-CB 4.2Å
180	S	96.8	Very high	97.5	Very high	15 Å²	15	34.1 Å²	34.1	11%	0.105	16%	0.162	C	C	.	.	H	α-helix	trans	-60.3	-41.5	177.8	57.1	0	0	0	0	112.7	L178 F183 E184 N223 S322	L178-S180 VanDerWaalsContact C-N 3.28Å; L178-S180 PolarHBondContact O-N 2.95Å; S180-F183 PolarHBondContact O-N 2.8Å; S180-E184 PolarHBondContact O-N 2.96Å; S180-N223 VanDerWaalsContact CB-OD1 3.26Å; S180-N223 WeakPolarHBondContact CB-OD1 3.34Å; S180-S322 PolarHBondContact N-OG 2.99Å
181	Q	96.8	Very high	97.7	Very high	20 Å²	20	29.1 Å²	29.1	9%	0.093	14%	0.136	C	C	.	.	H	α-helix	trans	-70.4	-38.5	177.9	-72.4	169.3	-18.2	0	0	111.3	F169 N170 L178 P179 E184 Y185	F169-Q181 WeakPolarHBondContact O-CB 3.38Å; F169-Q181 WeakPolarHBondContact O-CG 3.43Å; N170-Q181 PolarHBondContact O-OE1 2.8Å; L178-Q181 HydrophobicContact CB-CB 4.32Å; L178-Q181 HydrophobicContact CB-CG 4.21Å; L178-Q181 PolarHBondContact O-N 3.31Å; L178-Q181 VanDerWaalsContact O-N 3.09Å; P179-Q181 VanDerWaalsContact C-N 3.33Å; P179-Q181 PolarHBondContact O-N 2.77Å; Q181-E184 PolarHBondContact O-N 3.08Å; Q181-Y185 PolarHBondContact O-N 3.06Å
182	A	98.4	Very high	97.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.6	-41	174.6	0	0	0	0	0	112.1	W135 T139 L162 L178 P179 E184 Y185 I186	W135-A182 HydrophobicContact CE3-CB 3.9Å; W135-A182 HydrophobicContact CZ3-CB 3.62Å; T139-A182 HydrophobicContact CG2-CB 3.56Å; T139-A182 WeakPolarHBondContact OG1-CB 3.05Å; L162-A182 HydrophobicContact CD1-CB 4.44Å; L162-A182 HydrophobicContact CD2-CB 4.43Å; L178-A182 PolarHBondContact O-N 2.75Å; P179-A182 WeakPolarHBondContact O-CB 3.32Å; P179-A182 PolarHBondContact O-N 2.66Å; A182-E184 VanDerWaalsContact C-N 3.34Å; A182-E184 PolarHBondContact O-N 2.96Å; A182-Y185 WeakPolarHBondContact O-CB 3.49Å; A182-Y185 PolarHBondContact O-N 2.63Å; A182-I186 VanDerWaalsContact O-CG1 3.32Å; A182-I186 WeakPolarHBondContact O-CG1 3.46Å; A182-I186 PolarHBondContact O-N 3.35Å
183	F	98.6	Very high	97.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.2	-39.5	174.7	-62.2	-47.5	0	0	0	112.2	T139 C142 L143 P179 S180 I186 K187 V218 V221 P324	T139-F183 HydrophobicContact CG2-CD1 3.58Å; T139-F183 HydrophobicContact CG2-CE1 3.39Å; T139-F183 HydrophobicContact CG2-CG 4.44Å; T139-F183 HydrophobicContact CG2-CZ 4.11Å; T139-F183 WeakPolarHBondContact O-CE1 3.5Å; C142-F183 HydrophobicContact CB-CE1 4.34Å; C142-F183 HydrophobicContact CB-CZ 3.78Å; L143-F183 HydrophobicContact CB-CE1 4.35Å; P179-F183 HydrophobicContact CB-CE2 3.91Å; P179-F183 HydrophobicContact CB-CZ 4.29Å; P179-F183 WeakPolarHBondContact O-CD2 3.02Å; P179-F183 VanDerWaalsContact O-CG 3.22Å; P179-F183 WeakPolarHBondContact O-CG 3.17Å; P179-F183 PolarHBondContact O-N 2.86Å; S180-F183 PolarHBondContact O-N 2.8Å; F183-I186 PolarHBondContact O-N 2.03Å; F183-K187 WeakPolarHBondContact O-CB 3.13Å; F183-K187 PolarHBondContact O-N 2.83Å; F183-V218 HydrophobicContact CB-CG1 4.46Å; F183-V218 HydrophobicContact CD1-CG2 4.41Å; F183-V221 HydrophobicContact CB-CB 4.43Å; F183-V221 HydrophobicContact CB-CG1 3.99Å; F183-V221 HydrophobicContact CB-CG2 3.58Å; F183-V221 HydrophobicContact CD2-CG1 4.2Å; F183-P324 HydrophobicContact CD1-CB 3.85Å; F183-P324 HydrophobicContact CD1-CG 3.84Å; F183-P324 HydrophobicContact CE1-CB 4.18Å; F183-P324 HydrophobicContact CE1-CG 3.65Å; F183-P324 HydrophobicContact CG-CB 4.07Å; F183-P324 HydrophobicContact CG-CG 4.4Å; F183-P324 HydrophobicContact CZ-CG 4.07Å
184	E	98.1	Very high	97.9	Very high	49 Å²	49	27.3 Å²	27.3	23%	0.229	13%	0.129	C	C	.	.	H	α-helix	trans	-62.9	-44.4	172.8	-70.6	-64.7	172.9	0	0	111.2	F169 S180 Q181 A182 I186 K187 Y188 V221	F169-E184 HydrophobicContact CD1-CB 3.78Å; F169-E184 HydrophobicContact CE1-CB 3.96Å; S180-E184 PolarHBondContact O-N 2.96Å; Q181-E184 PolarHBondContact O-N 3.08Å; A182-E184 VanDerWaalsContact C-N 3.34Å; A182-E184 PolarHBondContact O-N 2.96Å; E184-I186 VanDerWaalsContact C-N 3.34Å; E184-I186 PolarHBondContact O-N 2.87Å; E184-K187 WeakPolarHBondContact O-CB 3.29Å; E184-K187 PolarHBondContact O-N 3.14Å; E184-K187 WeakPolarHBondContact OE2-CD 3.36Å; E184-K187 IonicContact OE2-NZ 2.84Å; E184-Y188 VanDerWaalsContact O-CD2 3.24Å; E184-Y188 WeakPolarHBondContact O-CD2 3.12Å; E184-Y188 PolarHBondContact O-N 3.2Å; E184-Y188 VanDerWaalsContact OE2-CE2 3.3Å; E184-Y188 WeakPolarHBondContact OE2-CE2 3.03Å; E184-V221 HydrophobicContact CG-CG2 3.95Å; E184-V221 WeakPolarHBondContact OE1-CG2 2.89Å
185	Y	98.6	Very high	97.9	Very high	7 Å²	7	28.6 Å²	28.6	3%	0.027	13%	0.133	C	C	.	.	H	α-helix	trans	-51.9	-52.7	171.8	161	-100.9	0	0	0	110.9	Q161 L162 C165 A166 F169 Q181 A182 K187 Y188 N189	Q161-Y185 HydrophobicContact CG-CE1 4.48Å; Q161-Y185 PolarHBondContact NE2-OH 2.92Å; L162-Y185 HydrophobicContact CD2-CD1 3.55Å; L162-Y185 HydrophobicContact CD2-CE1 3.72Å; C165-Y185 HydrophobicContact CB-CE2 4.02Å; C165-Y185 WeakPolarHBondContact CB-OH 3.37Å; C165-Y185 WeakPolarHBondContact O-CE2 3.39Å; A166-Y185 HydrophobicContact CB-CD1 3.86Å; A166-Y185 HydrophobicContact CB-CD2 4.11Å; A166-Y185 HydrophobicContact CB-CE1 4.39Å; A166-Y185 HydrophobicContact CB-CG 3.71Å; F169-Y185 AromaticContact CD2-CD2 3.97Å; F169-Y185 HydrophobicContact CD2-CD2 3.97Å; F169-Y185 HydrophobicContact CD2-CG 4.29Å; F169-Y185 HydrophobicContact CE2-CD2 4.08Å; Q181-Y185 PolarHBondContact O-N 3.06Å; A182-Y185 WeakPolarHBondContact O-CB 3.49Å; A182-Y185 PolarHBondContact O-N 2.63Å; Y185-K187 VanDerWaalsContact C-N 3.3Å; Y185-K187 PolarHBondContact O-N 3.41Å; Y185-Y188 PolarHBondContact O-N 2.82Å; Y185-N189 HydrophobicContact CD2-CB 4.03Å; Y185-N189 HydrophobicContact CE1-CB 4.36Å; Y185-N189 HydrophobicContact CE2-CB 3.66Å; Y185-N189 WeakPolarHBondContact O-CA 3.41Å; Y185-N189 WeakPolarHBondContact O-CB 3.31Å; Y185-N189 PolarHBondContact O-N 3.33Å; Y185-N189 PolarHBondContact OH-ND2 2.91Å; Y185-N189 PolarHBondContact OH-OD1 3.3Å
186	I	98.8	Very high	98	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.9	-41	-178.4	-61.8	166.6	0	0	0	111.4	T139 L143 L162 A182 F183 E184 K190 G191 I192 V218	T139-I186 HydrophobicContact CG2-CD1 3.9Å; L143-I186 HydrophobicContact CD2-CD1 3.78Å; L143-I186 HydrophobicContact CD2-CG2 4.2Å; L162-I186 HydrophobicContact CD2-CD1 4.13Å; L162-I186 HydrophobicContact CD2-CG1 4Å; A182-I186 VanDerWaalsContact O-CG1 3.32Å; A182-I186 WeakPolarHBondContact O-CG1 3.46Å; A182-I186 PolarHBondContact O-N 3.35Å; F183-I186 PolarHBondContact O-N 2.03Å; E184-I186 VanDerWaalsContact C-N 3.34Å; E184-I186 PolarHBondContact O-N 2.87Å; I186-K190 PolarHBondContact O-N 3.21Å; I186-K190 VanDerWaalsContact O-N 3.13Å; I186-G191 PolarHBondContact O-N 3.38Å; I186-I192 HydrophobicContact CD1-CB 4.38Å; I186-I192 HydrophobicContact CD1-CD1 3.96Å; I186-I192 HydrophobicContact CD1-CG2 4.33Å; I186-I192 HydrophobicContact CG1-CB 4.22Å; I186-I192 HydrophobicContact CG1-CD1 4.35Å; I186-I192 HydrophobicContact CG2-CB 4.18Å; I186-I192 HydrophobicContact CG2-CG2 4.1Å; I186-V218 HydrophobicContact CB-CB 4.41Å; I186-V218 HydrophobicContact CB-CG2 3.89Å; I186-V218 HydrophobicContact CD1-CG2 4.48Å; I186-V218 HydrophobicContact CG2-CB 4.21Å; I186-V218 HydrophobicContact CG2-CG2 3.68Å
187	K	98.4	Very high	98.1	Very high	44 Å²	44	37.1 Å²	37.1	19%	0.191	17%	0.173	C	C	.	.	H	α-helix	trans	-62	-45.1	178	176.6	-179.6	171.3	-173.4	0	112.6	F183 E184 Y185 K190 V218 K219 D220	F183-K187 WeakPolarHBondContact O-CB 3.13Å; F183-K187 PolarHBondContact O-N 2.83Å; E184-K187 WeakPolarHBondContact O-CB 3.29Å; E184-K187 PolarHBondContact O-N 3.14Å; E184-K187 WeakPolarHBondContact OE2-CD 3.36Å; E184-K187 IonicContact OE2-NZ 2.84Å; Y185-K187 VanDerWaalsContact C-N 3.3Å; Y185-K187 PolarHBondContact O-N 3.41Å; K187-K190 PolarHBondContact O-NZ 2.9Å; K187-V218 HydrophobicContact CB-CB 4.02Å; K187-V218 HydrophobicContact CB-CG1 3.99Å; K187-K219 WeakPolarHBondContact CE-O 3.14Å; K187-D220 IonicContact NZ-OD1 3.18Å; K187-D220 PolarHBondContact NZ-OD1 3.28Å
188	Y	98.4	Very high	98.2	Very high	145 Å²	145	37.7 Å²	37.7	57%	0.569	18%	0.175	S	C	*	.	H	α-helix	trans	-81	-34.9	-179.1	-76.8	-74.5	0	0	0	112.9	F169 E184 Y185 K190	F169-Y188 AromaticContact CE1-CD2 3.58Å; F169-Y188 HydrophobicContact CE1-CD2 3.58Å; F169-Y188 HydrophobicContact CE1-CE2 4.31Å; F169-Y188 HydrophobicContact CE1-CG 4.25Å; F169-Y188 AromaticContact CZ-CD2 3.79Å; F169-Y188 HydrophobicContact CZ-CD2 3.79Å; F169-Y188 AromaticContact CZ-CG 3.99Å; F169-Y188 HydrophobicContact CZ-CG 3.99Å; E184-Y188 VanDerWaalsContact O-CD2 3.24Å; E184-Y188 WeakPolarHBondContact O-CD2 3.12Å; E184-Y188 PolarHBondContact O-N 3.2Å; E184-Y188 VanDerWaalsContact OE2-CE2 3.3Å; E184-Y188 WeakPolarHBondContact OE2-CE2 3.03Å; Y185-Y188 PolarHBondContact O-N 2.82Å; Y188-K190 PolarHBondContact O-N 3.41Å
189	N	98.3	Very high	98.3	Very high	42 Å²	42	41.1 Å²	41.1	23%	0.225	20%	0.198	C	C	.	.	H	α-helix	trans	-69	-12.4	174.7	-171.3	70.8	0	0	0	113	Q161 Y185 G191 F209	Q161-N189 PolarHBondContact NE2-ND2 3.25Å; Y185-N189 HydrophobicContact CD2-CB 4.03Å; Y185-N189 HydrophobicContact CE1-CB 4.36Å; Y185-N189 HydrophobicContact CE2-CB 3.66Å; Y185-N189 WeakPolarHBondContact O-CA 3.41Å; Y185-N189 WeakPolarHBondContact O-CB 3.31Å; Y185-N189 PolarHBondContact O-N 3.33Å; Y185-N189 PolarHBondContact OH-ND2 2.91Å; Y185-N189 PolarHBondContact OH-OD1 3.3Å; N189-G191 PolarHBondContact ND2-O 3.08Å; N189-F209 WeakPolarHBondContact ND2-CD1 2.98Å; N189-F209 WeakPolarHBondContact ND2-CE1 3.44Å; N189-F209 WeakPolarHBondContact ND2-CE2 3.29Å; N189-F209 WeakPolarHBondContact ND2-CZ 3.36Å
190	K	97.9	Very high	98.4	Very high	130 Å²	130	42.9 Å²	42.9	57%	0.565	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	43.6	-176.5	-50.5	-58.1	173.8	-163.6	0	112.5	I186 K187 Y188 F217	I186-K190 PolarHBondContact O-N 3.21Å; I186-K190 VanDerWaalsContact O-N 3.13Å; K187-K190 PolarHBondContact O-NZ 2.9Å; Y188-K190 PolarHBondContact O-N 3.41Å; K190-F217 WeakPolarHBondContact O-CD1 3.04Å; K190-F217 WeakPolarHBondContact O-CE1 3.22Å
191	G	98.1	Very high	98.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.218	C	C	.	.			trans	119.5	179.6	164.8	0	0	0	0	0	114.7	Q161 I186 N189 A216	Q161-G191 PolarHBondContact NE2-O 3.21Å; I186-G191 PolarHBondContact O-N 3.38Å; N189-G191 PolarHBondContact ND2-O 3.08Å; G191-A216 CarbonylContact C-O 3.6Å; G191-A216 WeakPolarHBondContact CA-O 3.19Å
192	I	98.8	Very high	98.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	140.3	-177.8	-172.4	171.7	0	0	0	109.7	T140 L143 L157 Q161 L162 I186 A215 A216	T140-I192 HydrophobicContact CG2-CD1 4.22Å; L143-I192 HydrophobicContact CD2-CG2 3.84Å; L157-I192 HydrophobicContact CB-CD1 4.42Å; L157-I192 HydrophobicContact CD1-CG2 3.96Å; L157-I192 HydrophobicContact CD2-CG2 4.2Å; L157-I192 HydrophobicContact CG-CG2 4.47Å; Q161-I192 HydrophobicContact CB-CG1 4.5Å; L162-I192 HydrophobicContact CD1-CD1 4.14Å; L162-I192 HydrophobicContact CD2-CD1 3.97Å; L162-I192 HydrophobicContact CG-CD1 3.88Å; I186-I192 HydrophobicContact CD1-CB 4.38Å; I186-I192 HydrophobicContact CD1-CD1 3.96Å; I186-I192 HydrophobicContact CD1-CG2 4.33Å; I186-I192 HydrophobicContact CG1-CB 4.22Å; I186-I192 HydrophobicContact CG1-CD1 4.35Å; I186-I192 HydrophobicContact CG2-CB 4.18Å; I186-I192 HydrophobicContact CG2-CG2 4.1Å; I192-A215 PolarHBondContact O-N 3.45Å; I192-A216 HydrophobicContact CG2-CB 3.95Å; I192-A216 PolarHBondContact N-O 3.04Å; I192-A216 PolarHBondContact O-N 3.02Å
193	M	98.8	Very high	98.5	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.015	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	165.8	179.5	-66.1	173.4	61.5	0	0	111.5	S158 D197 Y198 F209 K210 L213	S158-M193 PolarHBondContact N-O 3.43Å; M193-D197 HydrophobicContact CB-CB 4.45Å; M193-D197 HydrophobicContact CE-CB 3.49Å; M193-D197 VanDerWaalsContact CE-CB 3.49Å; M193-D197 WeakPolarHBondContact CE-O 3.43Å; M193-Y198 HydrophobicContact CE-CD2 4.38Å; M193-Y198 HydrophobicContact SD-CD2 3.92Å; M193-F209 HydrophobicContact CG-CD2 3.89Å; M193-F209 HydrophobicContact CG-CE2 4.03Å; M193-F209 HydrophobicContact SD-CD2 3.83Å; M193-F209 HydrophobicContact SD-CE2 4.46Å; M193-K210 HydrophobicContact CE-CB 4.48Å; M193-K210 HydrophobicContact SD-CB 4.2Å; M193-K210 PolarHBondContact SD-N 3.37Å; M193-L213 HydrophobicContact CE-CB 3.74Å; M193-L213 HydrophobicContact CE-CD1 3.65Å; M193-L213 HydrophobicContact CE-CG 4.32Å; M193-L213 HydrophobicContact CG-CB 4.06Å; M193-L213 HydrophobicContact SD-CB 4.3Å
194	T	98.8	Very high	98.5	Very high	23 Å²	23	53.6 Å²	53.6	14%	0.141	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-77.3	160.8	172.3	71.9	0	0	0	0	111.6	Q156 E196 D197 Y198 A215	Q156-T194 CarbonylContact O-C 3.36Å; Q156-T194 VanDerWaalsContact O-CA 3.25Å; Q156-T194 WeakPolarHBondContact O-CA 3.43Å; Q156-T194 WeakPolarHBondContact O-CB 3.44Å; T194-E196 PolarHBondContact O-N 3.31Å; T194-E196 PolarHBondContact OG1-N 3.21Å; T194-D197 PolarHBondContact O-N 3.03Å; T194-D197 PolarHBondContact OG1-N 2.04Å; T194-D197 VanDerWaalsContact OG1-N 3.13Å; T194-D197 PolarHBondContact OG1-OD2 3.35Å; T194-Y198 PolarHBondContact O-N 3.5Å; T194-A215 HydrophobicContact CG2-CB 3.42Å; T194-A215 VanDerWaalsContact CG2-CB 3.42Å
195	E	98.7	Very high	98.5	Very high	45 Å²	45	54.2 Å²	54.2	21%	0.21	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-31.4	169.7	-178.6	60.8	-159.9	0	0	112	Q156 Y198 P199 Y200	Q156-E195 HydrophobicContact CB-CB 4.12Å; Q156-E195 PolarHBondContact O-N 2.95Å; E195-Y198 CarbonylContact O-C 3.51Å; E195-P199 VanDerWaalsContact O-CA 3.24Å; E195-P199 WeakPolarHBondContact O-CA 3.29Å; E195-Y200 WeakPolarHBondContact OE1-CB 3.28Å; E195-Y200 PolarHBondContact OE1-N 2.84Å
196	E	98.5	Very high	98.5	Very high	177 Å²	177	58.9 Å²	58.9	83%	0.827	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-42.4	177.5	-177	176.4	-178.1	0	0	111.7	T194	T194-E196 PolarHBondContact O-N 3.31Å; T194-E196 PolarHBondContact OG1-N 3.21Å
197	D	98.7	Very high	98.5	Very high	73 Å²	73	61.9 Å²	61.9	39%	0.39	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-23.8	-178	-62	-60.4	0	0	0	113.3	M193 T194 L213	M193-D197 HydrophobicContact CB-CB 4.45Å; M193-D197 HydrophobicContact CE-CB 3.49Å; M193-D197 VanDerWaalsContact CE-CB 3.49Å; M193-D197 WeakPolarHBondContact CE-O 3.43Å; T194-D197 PolarHBondContact O-N 3.03Å; T194-D197 PolarHBondContact OG1-N 2.04Å; T194-D197 VanDerWaalsContact OG1-N 3.13Å; T194-D197 PolarHBondContact OG1-OD2 3.35Å; D197-L213 HydrophobicContact CB-CD1 4.2Å
198	Y	98.8	Very high	98.5	Very high	12 Å²	12	65 Å²	65	5%	0.047	33%	0.332	C	S	.	.	S	Bend	trans	-142.9	81.5	178.5	-160.1	-28.1	0	0	0	110.5	S158 Q160 Q161 D164 M193 T194 E195 T206 K208	S158-Y198 VanDerWaalsContact CB-O 3.27Å; S158-Y198 WeakPolarHBondContact CB-O 3.37Å; S158-Y198 WeakPolarHBondContact OG-CB 3.31Å; S158-Y198 PolarHBondContact OG-O 2.98Å; Q160-Y198 HydrophobicContact CB-CD1 3.72Å; Q160-Y198 HydrophobicContact CB-CE1 3.79Å; Q160-Y198 HydrophobicContact CG-CD1 3.87Å; Q160-Y198 HydrophobicContact CG-CE1 3.47Å; Q160-Y198 VanDerWaalsContact CG-CE1 3.47Å; Q161-Y198 HydrophobicContact CB-CD2 3.87Å; Q161-Y198 HydrophobicContact CB-CE2 4.04Å; Q161-Y198 HydrophobicContact CB-CG 4.42Å; Q161-Y198 HydrophobicContact CG-CD2 4.35Å; Q161-Y198 HydrophobicContact CG-CE2 4.32Å; D164-Y198 VanDerWaalsContact CB-OH 3.31Å; D164-Y198 WeakPolarHBondContact CB-OH 3.33Å; D164-Y198 WeakPolarHBondContact OD2-CE1 3.32Å; D164-Y198 PolarHBondContact OD2-OH 3.19Å; M193-Y198 HydrophobicContact CE-CD2 4.38Å; M193-Y198 HydrophobicContact SD-CD2 3.92Å; T194-Y198 PolarHBondContact O-N 3.5Å; E195-Y198 CarbonylContact O-C 3.51Å; Y198-T206 PolarHBondContact OH-O 2.97Å; Y198-K208 HydrophobicContact CE2-CB 3.78Å; Y198-K208 PolarHBondContact OH-N 3.05Å
199	P	98.7	Very high	98.5	Very high	75 Å²	75	60 Å²	60	49%	0.487	31%	0.312	S	S	.	.			trans	-67	150.2	-173.9	-22.8	34.5	0	0	0	114.5	Q160 E195	Q160-P199 WeakPolarHBondContact CB-O 3.37Å; E195-P199 VanDerWaalsContact O-CA 3.24Å; E195-P199 WeakPolarHBondContact O-CA 3.29Å
200	Y	98.8	Very high	98.5	Very high	41 Å²	41	63 Å²	63	16%	0.161	32%	0.324	C	S	.	.			trans	-72.6	132.4	176	-169.5	-111.3	0	0	0	113.7	Q128 S133 F137 E159 Q160 V163 E195 A202	Q128-Y200 VanDerWaalsContact O-CE1 3.3Å; Q128-Y200 WeakPolarHBondContact O-CE1 3.24Å; Q128-Y200 PolarHBondContact O-OH 2.97Å; S133-Y200 PolarHBondContact OG-OH 2.93Å; F137-Y200 HydrophobicContact CE2-CE1 4.1Å; F137-Y200 AromaticContact CE2-CE2 3.9Å; F137-Y200 HydrophobicContact CE2-CE2 3.9Å; F137-Y200 AromaticContact CE2-CZ 3.65Å; F137-Y200 AromaticContact CZ-CD1 3.97Å; F137-Y200 HydrophobicContact CZ-CD1 3.97Å; F137-Y200 HydrophobicContact CZ-CD2 4.2Å; F137-Y200 AromaticContact CZ-CE1 3.68Å; F137-Y200 HydrophobicContact CZ-CE1 3.68Å; F137-Y200 AromaticContact CZ-CE2 3.95Å; F137-Y200 HydrophobicContact CZ-CE2 3.95Å; F137-Y200 HydrophobicContact CZ-CG 4.22Å; F137-Y200 AromaticContact CZ-CZ 3.68Å; E159-Y200 HydrophobicContact CB-CD2 3.72Å; E159-Y200 HydrophobicContact CB-CE2 4.07Å; Q160-Y200 HydrophobicContact CB-CD2 4.3Å; Q160-Y200 VanDerWaalsContact OE1-CD2 3.31Å; V163-Y200 HydrophobicContact CG2-CE2 4.29Å; E195-Y200 WeakPolarHBondContact OE1-CB 3.28Å; E195-Y200 PolarHBondContact OE1-N 2.84Å; Y200-A202 HydrophobicContact CD1-CB 4.33Å; Y200-A202 HydrophobicContact CE1-CB 3.53Å; Y200-A202 WeakPolarHBondContact OH-CA 3.38Å
201	T	98.5	Very high	98.5	Very high	65 Å²	65	61.2 Å²	61.2	40%	0.399	32%	0.324	S	S	.	.			trans	-122.2	-6.6	-178.4	65.2	0	0	0	0	114	Q160 H203	Q160-T201 VanDerWaalsContact CD-OG1 3.26Å; Q160-T201 PolarHBondContact NE2-OG1 3.16Å; Q160-T201 PolarHBondContact OE1-OG1 3.34Å; Q160-T201 VanDerWaalsContact OE1-OG1 3.14Å; T201-H203 VanDerWaalsContact C-N 3.28Å; T201-H203 WeakPolarHBondContact CB-NE2 3.34Å; T201-H203 PolarHBondContact O-CD2 3.07Å; T201-H203 VanDerWaalsContact O-CD2 3.3Å; T201-H203 PolarHBondContact O-N 3.27Å; T201-H203 PolarHBondContact OG1-CD2 3.16Å; T201-H203 PolarHBondContact OG1-NE2 2.92Å
202	A	98.1	Very high	98.4	Very high	24 Å²	24	68.2 Å²	68.2	20%	0.198	36%	0.356	C	S	.	.	S	Bend	trans	59	32.2	177.9	0	0	0	0	0	114.9	Q128 C131 Y200	Q128-A202 WeakPolarHBondContact O-CB 3.37Å; C131-A202 HydrophobicContact CB-CB 4.29Å; C131-A202 WeakPolarHBondContact CB-O 3.48Å; Y200-A202 HydrophobicContact CD1-CB 4.33Å; Y200-A202 HydrophobicContact CE1-CB 3.53Å; Y200-A202 WeakPolarHBondContact OH-CA 3.38Å
203	H	98.3	Very high	98.4	Very high	91 Å²	91	71 Å²	71	42%	0.421	37%	0.371	S	S	.	.	S	Bend	trans	-151.6	162.3	168.7	66.3	81.8	0	0	0	109.5	Q160 C174 T201	Q160-H203 PolarHBondContact NE2-O 2.79Å; C174-H203 VanDerWaalsContact SG-CA 3.56Å; T201-H203 VanDerWaalsContact C-N 3.28Å; T201-H203 WeakPolarHBondContact CB-NE2 3.34Å; T201-H203 PolarHBondContact O-CD2 3.07Å; T201-H203 VanDerWaalsContact O-CD2 3.3Å; T201-H203 PolarHBondContact O-N 3.27Å; T201-H203 PolarHBondContact OG1-CD2 3.16Å; T201-H203 PolarHBondContact OG1-NE2 2.92Å
204	D	98.4	Very high	98.4	Very high	80 Å²	80	71.9 Å²	71.9	43%	0.428	38%	0.378	S	S	.	.			trans	-66.7	133.2	171.8	-53.1	-76.7	0	0	0	110.6	G173 C174	G173-D204 VanDerWaalsContact CA-OD1 3.24Å; G173-D204 WeakPolarHBondContact CA-OD1 3.31Å; C174-D204 PolarHBondContact N-OD1 2.98Å
205	D	98	Very high	98.3	Very high	61 Å²	61	72.5 Å²	72.5	33%	0.326	39%	0.386	S	S	.	.			trans	-136.1	176.8	173.7	-159.2	-11.4	0	0	0	110.3	D164 K208	D164-D205 PolarHBondContact OD1-N 3.37Å; D205-K208 IonicContact OD1-NZ 3.66Å; D205-K208 IonicContact OD2-NZ 2.76Å; D205-K208 PolarHBondContact OD2-NZ 3.45Å
206	T	98.2	Very high	98.3	Very high	105 Å²	105	70.5 Å²	70.5	64%	0.644	38%	0.377	S	S	*	.			trans	-70.6	133.9	173.9	-53.8	0	0	0	0	109.9	Y198 K208	Y198-T206 PolarHBondContact OH-O 2.97Å; T206-K208 WeakPolarHBondContact O-CG 3.48Å; T206-K208 PolarHBondContact O-N 2.81Å
207	C	98.7	Very high	98.3	Very high	63 Å²	63	66.2 Å²	66.2	43%	0.426	36%	0.356	S	S	.	.			trans	-55.6	121.6	175.4	-177.9	0	0	0	0	112.7	D164 C165	D164-C207 HydrophobicContact CB-CB 4.45Å; C165-C207 HydrophobicContact CB-CB 3.92Å; C165-C207 WeakPolarHBondContact CB-SG 3.34Å; C165-C207 WeakPolarHBondContact SG-CA 3.34Å; C165-C207 WeakPolarHBondContact SG-CB 3.45Å; C165-C207 CovalentContact SG-SG 2.04Å; C165-C207 PolarHBondContact SG-SG 2.95Å
208	K	98.4	Very high	98.2	Very high	111 Å²	111	63 Å²	63	48%	0.483	34%	0.339	S	S	.	.			trans	-114.6	22.1	179	-64.4	157.9	-162.3	167	0	113	Y198 D205 T206 K210	Y198-K208 HydrophobicContact CE2-CB 3.78Å; Y198-K208 PolarHBondContact OH-N 3.05Å; D205-K208 IonicContact OD1-NZ 3.66Å; D205-K208 IonicContact OD2-NZ 2.76Å; D205-K208 PolarHBondContact OD2-NZ 3.45Å; T206-K208 WeakPolarHBondContact O-CG 3.48Å; T206-K208 PolarHBondContact O-N 2.81Å; K208-K210 PolarHBondContact O-N 3.49Å
209	F	98.7	Very high	98.2	Very high	38 Å²	38	68.9 Å²	68.9	17%	0.167	37%	0.365	C	S	.	.			trans	-58.6	135.8	-177.9	174.5	-115.2	0	0	0	112.2	Q161 N189 M193 A214	Q161-F209 HydrophobicContact CG-CB 4.43Å; Q161-F209 HydrophobicContact CG-CD2 4.31Å; N189-F209 WeakPolarHBondContact ND2-CD1 2.98Å; N189-F209 WeakPolarHBondContact ND2-CE1 3.44Å; N189-F209 WeakPolarHBondContact ND2-CE2 3.29Å; N189-F209 WeakPolarHBondContact ND2-CZ 3.36Å; M193-F209 HydrophobicContact CG-CD2 3.89Å; M193-F209 HydrophobicContact CG-CE2 4.03Å; M193-F209 HydrophobicContact SD-CD2 3.83Å; M193-F209 HydrophobicContact SD-CE2 4.46Å; F209-A214 HydrophobicContact CE2-CB 4.33Å; F209-A214 HydrophobicContact CZ-CB 4.39Å
210	K	98.5	Very high	98.1	Very high	107 Å²	107	68.9 Å²	68.9	47%	0.465	36%	0.361	S	S	.	.			trans	-125.6	120.7	175.9	-68.5	-176.5	-169.7	171.3	0	109.4	M193 K208 E212 L213	M193-K210 HydrophobicContact CE-CB 4.48Å; M193-K210 HydrophobicContact SD-CB 4.2Å; M193-K210 PolarHBondContact SD-N 3.37Å; K208-K210 PolarHBondContact O-N 3.49Å; K210-E212 VanDerWaalsContact C-N 3.27Å; K210-E212 PolarHBondContact O-N 2.82Å; K210-L213 HydrophobicContact CB-CB 4.3Å; K210-L213 HydrophobicContact CB-CD1 4.17Å; K210-L213 HydrophobicContact CB-CG 4.16Å; K210-L213 HydrophobicContact CD-CD1 3.88Å; K210-L213 PolarHBondContact O-N 2.82Å; K210-L213 VanDerWaalsContact O-N 3.12Å
211	T	96.9	Very high	98	Very high	91 Å²	91	67.2 Å²	67.2	56%	0.558	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-64.6	-35.4	-172.5	-56.3	0	0	0	0	111.7	L213 A214	T211-L213 PolarHBondContact O-N 3.39Å; T211-A214 WeakPolarHBondContact O-CB 3.31Å; T211-A214 PolarHBondContact O-N 2.94Å
212	E	97.7	Very high	98	Very high	148 Å²	148	64.8 Å²	64.8	69%	0.692	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-68.6	-15.4	178.6	69.2	-79.8	-170.7	0	0	114.3	K210	K210-E212 VanDerWaalsContact C-N 3.27Å; K210-E212 PolarHBondContact O-N 2.82Å
213	L	98.3	Very high	97.9	Very high	59 Å²	59	65.3 Å²	65.3	31%	0.309	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-104	7.8	176.6	-59.4	-177.1	0	0	0	112.6	M193 D197 K210 T211 A215	M193-L213 HydrophobicContact CE-CB 3.74Å; M193-L213 HydrophobicContact CE-CD1 3.65Å; M193-L213 HydrophobicContact CE-CG 4.32Å; M193-L213 HydrophobicContact CG-CB 4.06Å; M193-L213 HydrophobicContact SD-CB 4.3Å; D197-L213 HydrophobicContact CB-CD1 4.2Å; K210-L213 HydrophobicContact CB-CB 4.3Å; K210-L213 HydrophobicContact CB-CD1 4.17Å; K210-L213 HydrophobicContact CB-CG 4.16Å; K210-L213 HydrophobicContact CD-CD1 3.88Å; K210-L213 PolarHBondContact O-N 2.82Å; K210-L213 VanDerWaalsContact O-N 3.12Å; T211-L213 PolarHBondContact O-N 3.39Å; L213-A215 PolarHBondContact O-N 3.02Å
214	A	98.1	Very high	97.8	Very high	20 Å²	20	61.1 Å²	61.1	17%	0.165	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	125.6	175.3	0	0	0	0	0	110.9	F209 T211 F217	F209-A214 HydrophobicContact CE2-CB 4.33Å; F209-A214 HydrophobicContact CZ-CB 4.39Å; T211-A214 WeakPolarHBondContact O-CB 3.31Å; T211-A214 PolarHBondContact O-N 2.94Å; A214-F217 HydrophobicContact CB-CE1 3.92Å; A214-F217 HydrophobicContact CB-CZ 4.02Å
215	A	97.5	Very high	97.6	Very high	36 Å²	36	59.3 Å²	59.3	30%	0.298	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	-26.2	-172.7	0	0	0	0	0	113.9	L155 I192 T194 L213	L155-A215 HydrophobicContact CD1-CB 4.28Å; L155-A215 WeakPolarHBondContact CD1-O 3.26Å; I192-A215 PolarHBondContact O-N 3.45Å; T194-A215 HydrophobicContact CG2-CB 3.42Å; T194-A215 VanDerWaalsContact CG2-CB 3.42Å; L213-A215 PolarHBondContact O-N 3.02Å
216	A	97.7	Very high	97.4	Very high	3 Å²	3	59.2 Å²	59.2	3%	0.025	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	154.1	176.2	0	0	0	0	0	111.6	L143 L155 L157 G191 I192	L143-A216 HydrophobicContact CD2-CB 4.15Å; L143-A216 HydrophobicContact CG-CB 4.32Å; L155-A216 HydrophobicContact CD1-CB 4.27Å; L157-A216 HydrophobicContact CD1-CB 3.83Å; L157-A216 HydrophobicContact CD2-CB 3.7Å; L157-A216 HydrophobicContact CG-CB 4.43Å; G191-A216 CarbonylContact C-O 3.6Å; G191-A216 WeakPolarHBondContact CA-O 3.19Å; I192-A216 HydrophobicContact CG2-CB 3.95Å; I192-A216 PolarHBondContact N-O 3.04Å; I192-A216 PolarHBondContact O-N 3.02Å
217	F	98.2	Very high	97.3	Very high	87 Å²	87	59 Å²	59	38%	0.382	30%	0.297	S	S	.	.			trans	-139	145.5	-171.2	-52.6	-90.1	0	0	0	111.1	K190 A214 V327	K190-F217 WeakPolarHBondContact O-CD1 3.04Å; K190-F217 WeakPolarHBondContact O-CE1 3.22Å; A214-F217 HydrophobicContact CB-CE1 3.92Å; A214-F217 HydrophobicContact CB-CZ 4.02Å; F217-V327 HydrophobicContact CB-CB 4.09Å; F217-V327 HydrophobicContact CB-CG2 3.59Å
218	V	98.4	Very high	97.1	Very high	7 Å²	7	58.3 Å²	58.3	4%	0.042	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.8	174	175	0	0	0	0	108.7	L143 F183 I186 K187 D220 V221 P324	L143-V218 HydrophobicContact CD1-CG2 3.93Å; L143-V218 HydrophobicContact CD2-CG2 3.97Å; F183-V218 HydrophobicContact CB-CG1 4.46Å; F183-V218 HydrophobicContact CD1-CG2 4.41Å; I186-V218 HydrophobicContact CB-CB 4.41Å; I186-V218 HydrophobicContact CB-CG2 3.89Å; I186-V218 HydrophobicContact CD1-CG2 4.48Å; I186-V218 HydrophobicContact CG2-CB 4.21Å; I186-V218 HydrophobicContact CG2-CG2 3.68Å; K187-V218 HydrophobicContact CB-CB 4.02Å; K187-V218 HydrophobicContact CB-CG1 3.99Å; V218-D220 WeakPolarHBondContact CG1-O 3.4Å; V218-V221 HydrophobicContact CG1-CG2 4.08Å; V218-P324 HydrophobicContact CB-CB 4.49Å; V218-P324 HydrophobicContact CG1-CB 3.91Å; V218-P324 HydrophobicContact CG2-CB 3.85Å
219	K	97.8	Very high	97	Very high	134 Å²	134	53.8 Å²	53.8	58%	0.583	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	-48.2	173.5	-179	177.2	178	178.4	0	110.9	K187 L325 P326 V327	K187-K219 WeakPolarHBondContact CE-O 3.14Å; K219-L325 WeakPolarHBondContact CB-O 3.41Å; K219-L325 PolarHBondContact N-O 3.39Å; K219-P326 WeakPolarHBondContact CB-O 3.23Å; K219-V327 HydrophobicContact CB-CG2 3.93Å
220	D	97.1	Very high	96.9	Very high	75 Å²	75	56.7 Å²	56.7	40%	0.401	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	164.8	179.7	-146.8	-0.4	0	0	0	111.8	K187 V218 P324 L325	K187-D220 IonicContact NZ-OD1 3.18Å; K187-D220 PolarHBondContact NZ-OD1 3.28Å; V218-D220 WeakPolarHBondContact CG1-O 3.4Å; D220-P324 WeakPolarHBondContact O-CA 3.15Å; D220-L325 HydrophobicContact CB-CB 4.42Å; D220-L325 HydrophobicContact CB-CD1 4.22Å; D220-L325 PolarHBondContact O-N 3.35Å
221	V	97.1	Very high	96.9	Very high	7 Å²	7	51.6 Å²	51.6	4%	0.042	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	127	-179.2	-172	0	0	0	0	109.5	F183 E184 V218	F183-V221 HydrophobicContact CB-CB 4.43Å; F183-V221 HydrophobicContact CB-CG1 3.99Å; F183-V221 HydrophobicContact CB-CG2 3.58Å; F183-V221 HydrophobicContact CD2-CG1 4.2Å; E184-V221 HydrophobicContact CG-CG2 3.95Å; E184-V221 WeakPolarHBondContact OE1-CG2 2.89Å; V218-V221 HydrophobicContact CG1-CG2 4.08Å
222	V	96.9	Very high	96.9	Very high	14 Å²	14	47.2 Å²	47.2	9%	0.085	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	110.6	174.5	-175.1	0	0	0	0	108.8	H102 S322 Y323 L325	H102-V222 HydrophobicContact CB-CG1 3.74Å; V222-S322 CarbonylContact O-C 3.51Å; V222-S322 WeakPolarHBondContact O-CA 2.75Å; V222-S322 WeakPolarHBondContact O-CB 3.23Å; V222-Y323 HydrophobicContact CB-CD1 4.15Å; V222-Y323 HydrophobicContact CB-CD2 4.18Å; V222-Y323 HydrophobicContact CB-CE1 3.76Å; V222-Y323 HydrophobicContact CB-CE2 3.81Å; V222-Y323 HydrophobicContact CB-CG 4.36Å; V222-Y323 HydrophobicContact CG1-CD1 4.36Å; V222-Y323 HydrophobicContact CG1-CE1 3.58Å; V222-Y323 HydrophobicContact CG1-CE2 4.28Å; V222-Y323 HydrophobicContact CG2-CD2 4.38Å; V222-Y323 HydrophobicContact CG2-CE2 3.79Å; V222-Y323 PolarHBondContact N-O 3.22Å; V222-Y323 PolarHBondContact O-N 2.8Å; V222-L325 HydrophobicContact CG2-CD1 4.17Å; V222-L325 HydrophobicContact CG2-CD2 4.17Å; V222-L325 HydrophobicContact CG2-CG 3.96Å
223	N	96.4	Very high	96.9	Very high	34 Å²	34	40.6 Å²	40.6	18%	0.182	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	128.8	169.6	-63.7	-34.6	0	0	0	108.5	A97 G100 S101 H102 S180	A97-N223 HydrophobicContact CB-CB 3.79Å; G100-N223 CarbonylContact C-O 3.55Å; G100-N223 WeakPolarHBondContact CA-O 3.3Å; S101-N223 PolarHBondContact N-O 2.84Å; S101-N223 PolarHBondContact OG-N 3.4Å; H102-N223 PolarHBondContact N-O 2.62Å; S180-N223 VanDerWaalsContact CB-OD1 3.26Å; S180-N223 WeakPolarHBondContact CB-OD1 3.34Å
224	I	95.8	Very high	96.9	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.021	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-82	142.2	171.5	-60.2	175	0	0	0	107.6	H102 K226 D228 M232 A235 V242 S321 Y323	H102-I224 HydrophobicContact CB-CB 4.48Å; H102-I224 HydrophobicContact CB-CG1 3.98Å; I224-K226 PolarHBondContact O-N 2.73Å; I224-D228 HydrophobicContact CG2-CB 4.03Å; I224-D228 WeakPolarHBondContact CG2-O 3.46Å; I224-M232 HydrophobicContact CD1-CB 4.32Å; I224-M232 HydrophobicContact CD1-CG 3.81Å; I224-M232 HydrophobicContact CG2-CG 4.26Å; I224-A235 HydrophobicContact CD1-CB 4.08Å; I224-V242 HydrophobicContact CD1-CG1 3.95Å; I224-V242 HydrophobicContact CD1-CG2 4.45Å; I224-S321 WeakPolarHBondContact CB-OG 3.37Å; I224-S321 PolarHBondContact N-O 3.36Å; I224-Y323 HydrophobicContact CD1-CD1 4.36Å; I224-Y323 HydrophobicContact CD1-CE1 4.34Å; I224-Y323 HydrophobicContact CG1-CE1 4.32Å
225	T	94.7	Very high	96.9	Very high	42 Å²	42	36.9 Å²	36.9	26%	0.258	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-60.2	136.9	-178.3	-63	0	0	0	0	109.9	G100 Y227 D228	G100-T225 PolarHBondContact N-OG1 3.2Å; T225-Y227 PolarHBondContact O-N 2.87Å; T225-D228 WeakPolarHBondContact O-CB 3.38Å; T225-D228 PolarHBondContact O-N 2.91Å
226	K	94.4	Very high	97	Very high	58 Å²	58	35.1 Å²	35.1	25%	0.252	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	128.9	176.1	175.2	170	172.8	165.1	0	111.7	A97 I224 D228 T269	A97-K226 VanDerWaalsContact O-CB 3.28Å; A97-K226 WeakPolarHBondContact O-CB 3.44Å; A97-K226 PolarHBondContact O-N 2.99Å; A97-K226 VanDerWaalsContact O-N 3.14Å; I224-K226 PolarHBondContact O-N 2.73Å; K226-D228 PolarHBondContact O-N 3.24Å; K226-T269 HydrophobicContact CD-CG2 3.92Å; K226-T269 HydrophobicContact CG-CG2 4.31Å; K226-T269 PolarHBondContact NZ-OG1 3.34Å
227	Y	94.9	Very high	97	Very high	102 Å²	102	35.5 Å²	35.5	40%	0.4	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	7.7	-176.4	-49	-43.9	0	0	0	116.2	T225 E229 N267 T269 N313 A318	T225-Y227 PolarHBondContact O-N 2.87Å; Y227-E229 VanDerWaalsContact C-N 3.26Å; Y227-E229 PolarHBondContact O-N 2.86Å; Y227-N267 WeakPolarHBondContact CE1-O 3.19Å; Y227-T269 HydrophobicContact CE1-CG2 4.37Å; Y227-N313 WeakPolarHBondContact CD1-ND2 3.32Å; Y227-A318 VanDerWaalsContact CA-O 3.29Å; Y227-A318 WeakPolarHBondContact CA-O 3.4Å; Y227-A318 PolarHBondContact N-O 3.35Å
228	D	95.5	Very high	96.8	Very high	48 Å²	48	36.4 Å²	36.4	26%	0.257	17%	0.172	S	C	.	.			trans	-82.3	70.1	174.6	-173.1	14.1	0	0	0	111.3	I224 T225 K226 M230 G231 M232	I224-D228 HydrophobicContact CG2-CB 4.03Å; I224-D228 WeakPolarHBondContact CG2-O 3.46Å; T225-D228 WeakPolarHBondContact O-CB 3.38Å; T225-D228 PolarHBondContact O-N 2.91Å; K226-D228 PolarHBondContact O-N 3.24Å; D228-M230 PolarHBondContact O-N 2.92Å; D228-G231 VanDerWaalsContact CG-N 3.33Å; D228-G231 WeakPolarHBondContact O-CA 3.46Å; D228-G231 PolarHBondContact O-N 3.11Å; D228-G231 PolarHBondContact OD1-N 3.02Å; D228-M232 PolarHBondContact O-N 3.38Å
229	E	97.3	Very high	96.8	Very high	16 Å²	16	39.7 Å²	39.7	8%	0.075	19%	0.186	C	C	.	.	H	α-helix	trans	-62.6	-27.3	176.6	-165.7	174.3	177.3	0	0	111.9	Y227 M232 L233 W290 R310 G311 K312 N313 L317 A318	Y227-E229 VanDerWaalsContact C-N 3.26Å; Y227-E229 PolarHBondContact O-N 2.86Å; E229-M232 WeakPolarHBondContact O-CB 3.34Å; E229-M232 PolarHBondContact O-N 2.9Å; E229-L233 PolarHBondContact O-N 2.87Å; E229-W290 HydrophobicContact CG-CZ2 3.96Å; E229-W290 PolarHBondContact OE1-NE1 2.89Å; E229-R310 WeakPolarHBondContact OE1-CA 3.33Å; E229-G311 PolarHBondContact OE1-N 2.69Å; E229-G311 VanDerWaalsContact OE2-CA 3.27Å; E229-G311 WeakPolarHBondContact OE2-CA 3.42Å; E229-G311 PolarHBondContact OE2-N 2.96Å; E229-K312 PolarHBondContact OE2-N 2.85Å; E229-K312 VanDerWaalsContact OE2-N 3.12Å; E229-N313 PolarHBondContact OE2-N 2.95Å; E229-L317 HydrophobicContact CG-CD1 4.05Å; E229-A318 HydrophobicContact CB-CB 3.73Å; E229-A318 HydrophobicContact CG-CB 4.24Å
230	M	96.4	Very high	96.8	Very high	98 Å²	98	33.8 Å²	33.8	48%	0.483	16%	0.161	S	C	.	.	H	α-helix	trans	-70.7	-34.4	173.2	-73.1	-55.1	-53.8	0	0	112.3	Y109 D228 M232 L233 D234	Y109-M230 HydrophobicContact CD2-CE 4.13Å; Y109-M230 HydrophobicContact CE2-CE 3.61Å; D228-M230 PolarHBondContact O-N 2.92Å; M230-M232 VanDerWaalsContact C-N 3.31Å; M230-L233 HydrophobicContact CE-CD1 4.22Å; M230-L233 HydrophobicContact CE-CD2 4.34Å; M230-L233 PolarHBondContact O-N 2.7Å; M230-L233 HydrophobicContact SD-CD1 4.32Å; M230-D234 PolarHBondContact O-N 2.85Å
231	G	96.9	Very high	96.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.7	-37.3	168.7	0	0	0	0	0	112.5	H102 D228 L233 A235	H102-G231 PolarHBondContact NE2-O 3.01Å; D228-G231 VanDerWaalsContact CG-N 3.33Å; D228-G231 WeakPolarHBondContact O-CA 3.46Å; D228-G231 PolarHBondContact O-N 3.11Å; D228-G231 PolarHBondContact OD1-N 3.02Å; G231-L233 VanDerWaalsContact C-N 3.34Å; G231-A235 VanDerWaalsContact O-CB 3.32Å; G231-A235 WeakPolarHBondContact O-CB 3.22Å; G231-A235 PolarHBondContact O-N 3.44Å
232	M	97.9	Very high	97	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.6	-42.6	170.9	-63.1	169.3	59.5	0	0	111.5	I224 D228 E229 M230 A235 V236 L244 W290 L317 A318 S321	I224-M232 HydrophobicContact CD1-CB 4.32Å; I224-M232 HydrophobicContact CD1-CG 3.81Å; I224-M232 HydrophobicContact CG2-CG 4.26Å; D228-M232 PolarHBondContact O-N 3.38Å; E229-M232 WeakPolarHBondContact O-CB 3.34Å; E229-M232 PolarHBondContact O-N 2.9Å; M230-M232 VanDerWaalsContact C-N 3.31Å; M232-A235 PolarHBondContact O-N 2.8Å; M232-V236 WeakPolarHBondContact O-CG2 3.16Å; M232-V236 PolarHBondContact O-N 3.1Å; M232-L244 HydrophobicContact CE-CB 3.97Å; M232-L244 HydrophobicContact CE-CD2 3.5Å; M232-L244 VanDerWaalsContact CE-CD2 3.5Å; M232-L244 HydrophobicContact CE-CG 4.37Å; M232-W290 HydrophobicContact CB-CH2 3.91Å; M232-W290 HydrophobicContact CB-CZ2 4.04Å; M232-W290 HydrophobicContact CE-CZ2 4.5Å; M232-L317 HydrophobicContact CE-CD1 3.86Å; M232-L317 HydrophobicContact SD-CD1 4.23Å; M232-A318 HydrophobicContact SD-CB 3.79Å; M232-S321 VanDerWaalsContact CG-OG 3.23Å; M232-S321 WeakPolarHBondContact CG-OG 3.46Å; M232-S321 PolarHBondContact SD-OG 3.15Å; M232-S321 VanDerWaalsContact SD-OG 3.41Å
233	L	98	Very high	97	Very high	9 Å²	9	29.2 Å²	29.2	5%	0.047	14%	0.136	C	C	.	.	H	α-helix	trans	-65.1	-46.3	-179.6	-171.7	159.5	0	0	0	111	Y109 E229 M230 G231 A235 V236 A237 Y281 W290 R310	Y109-L233 VanDerWaalsContact CB-CD2 3.5Å; Y109-L233 HydrophobicContact CD1-CD2 3.84Å; Y109-L233 HydrophobicContact CD2-CD2 3.15Å; Y109-L233 HydrophobicContact CE1-CD2 4.38Å; Y109-L233 HydrophobicContact CE2-CD2 3.77Å; Y109-L233 HydrophobicContact CG-CD2 3.18Å; E229-L233 PolarHBondContact O-N 2.87Å; M230-L233 HydrophobicContact CE-CD1 4.22Å; M230-L233 HydrophobicContact CE-CD2 4.34Å; M230-L233 PolarHBondContact O-N 2.7Å; M230-L233 HydrophobicContact SD-CD1 4.32Å; G231-L233 VanDerWaalsContact C-N 3.34Å; L233-A235 VanDerWaalsContact C-N 3.31Å; L233-A235 PolarHBondContact O-N 2.96Å; L233-V236 PolarHBondContact O-N 3.22Å; L233-A237 WeakPolarHBondContact O-CB 3.48Å; L233-A237 PolarHBondContact O-N 3.29Å; L233-Y281 HydrophobicContact CD2-CE1 4.37Å; L233-Y281 HydrophobicContact CG-CD1 4.38Å; L233-Y281 HydrophobicContact CG-CE1 4.05Å; L233-W290 HydrophobicContact CB-CH2 3.85Å; L233-W290 HydrophobicContact CB-CZ2 4.39Å; L233-W290 HydrophobicContact CG-CH2 4.48Å; L233-R310 VanDerWaalsContact CD1-NH1 3.35Å
234	D	98	Very high	97.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-55.5	-47.6	173.1	179.4	99.5	0	0	0	111.3	H102 S105 Y109 M230 A237 R238	H102-D234 IonicContact CE1-OD2 3.11Å; H102-D234 PolarHBondContact CE1-OD2 3.25Å; H102-D234 VanDerWaalsContact CE1-OD2 3.25Å; H102-D234 IonicContact NE2-OD2 2.92Å; H102-D234 PolarHBondContact NE2-OD2 2.96Å; S105-D234 WeakPolarHBondContact CB-OD1 3.22Å; S105-D234 PolarHBondContact N-OD1 2.97Å; S105-D234 PolarHBondContact OG-OD1 3.34Å; Y109-D234 HydrophobicContact CE1-CB 3.68Å; Y109-D234 WeakPolarHBondContact CE1-OD1 3.4Å; Y109-D234 PolarHBondContact OH-OD1 3Å; M230-D234 PolarHBondContact O-N 2.85Å; D234-A237 PolarHBondContact O-N 3.04Å; D234-R238 VanDerWaalsContact CG-NE 3.28Å; D234-R238 WeakPolarHBondContact O-CB 3.05Å; D234-R238 WeakPolarHBondContact O-CG 3.41Å; D234-R238 PolarHBondContact O-N 2.92Å; D234-R238 IonicContact OD1-CZ 3.48Å; D234-R238 IonicContact OD1-NE 3.01Å; D234-R238 PolarHBondContact OD1-NE 3.24Å; D234-R238 IonicContact OD1-NH2 3.32Å; D234-R238 PolarHBondContact OD1-NH2 3.11Å; D234-R238 IonicContact OD2-CZ 3.21Å; D234-R238 IonicContact OD2-NE 2.92Å; D234-R238 PolarHBondContact OD2-NE 2.99Å; D234-R238 IonicContact OD2-NH2 2.67Å; D234-R238 PolarHBondContact OD2-NH2 2.78Å
235	A	98	Very high	97.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.2	-47.5	-178.2	0	0	0	0	0	112.8	I224 G231 M232 L233 A237 R238 F239 N240 V242 Y323	I224-A235 HydrophobicContact CD1-CB 4.08Å; G231-A235 VanDerWaalsContact O-CB 3.32Å; G231-A235 WeakPolarHBondContact O-CB 3.22Å; G231-A235 PolarHBondContact O-N 3.44Å; M232-A235 PolarHBondContact O-N 2.8Å; L233-A235 VanDerWaalsContact C-N 3.31Å; L233-A235 PolarHBondContact O-N 2.96Å; A235-A237 VanDerWaalsContact C-N 3.29Å; A235-A237 PolarHBondContact O-N 2.89Å; A235-R238 PolarHBondContact O-N 2.74Å; A235-F239 HydrophobicContact CB-CD2 4.48Å; A235-F239 WeakPolarHBondContact O-CA 3.3Å; A235-F239 WeakPolarHBondContact O-CB 3.23Å; A235-F239 PolarHBondContact O-N 3.34Å; A235-N240 PolarHBondContact O-N 3.45Å; A235-V242 HydrophobicContact CB-CG2 3.66Å; A235-Y323 HydrophobicContact CB-CD1 4.22Å; A235-Y323 HydrophobicContact CB-CE1 3.74Å
236	V	98.6	Very high	97.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.8	-36.6	176.4	173.6	0	0	0	0	111.4	V113 W115 M232 L233 N240 V242 A278 Y281 W290	V113-V236 HydrophobicContact CG1-CG1 4.28Å; W115-V236 PolarHBondContact NE1-O 3.36Å; M232-V236 WeakPolarHBondContact O-CG2 3.16Å; M232-V236 PolarHBondContact O-N 3.1Å; L233-V236 PolarHBondContact O-N 3.22Å; V236-N240 WeakPolarHBondContact CA-O 3.32Å; V236-V242 HydrophobicContact CG2-CB 3.93Å; V236-V242 HydrophobicContact CG2-CG2 3.64Å; V236-A278 HydrophobicContact CG2-CB 4.34Å; V236-Y281 HydrophobicContact CB-CD1 4.28Å; V236-Y281 HydrophobicContact CB-CE1 4.31Å; V236-Y281 HydrophobicContact CG1-CD1 3.81Å; V236-Y281 HydrophobicContact CG1-CE1 4.03Å; V236-W290 HydrophobicContact CB-CZ3 4.2Å; V236-W290 HydrophobicContact CG1-CZ3 4.46Å; V236-W290 HydrophobicContact CG2-CZ3 3.97Å
237	A	98	Very high	97.4	Very high	10 Å²	10	24 Å²	24	8%	0.083	11%	0.108	C	C	.	.	H	α-helix	trans	-66.8	-43.7	-179.7	0	0	0	0	0	112.7	Y109 L233 D234 A235 Y281	Y109-A237 HydrophobicContact CD1-CB 4Å; L233-A237 WeakPolarHBondContact O-CB 3.48Å; L233-A237 PolarHBondContact O-N 3.29Å; D234-A237 PolarHBondContact O-N 3.04Å; A235-A237 VanDerWaalsContact C-N 3.29Å; A235-A237 PolarHBondContact O-N 2.89Å; A237-Y281 HydrophobicContact CB-CE1 4.15Å; A237-Y281 VanDerWaalsContact CB-OH 3.28Å; A237-Y281 WeakPolarHBondContact CB-OH 3.4Å
238	R	95.6	Very high	97.6	Very high	106 Å²	106	19.2 Å²	19.2	40%	0.4	9%	0.089	S	C	.	.	H	α-helix	trans	-105.8	-31.5	-165.7	-60.3	-166.5	-56.9	139.7	-6.7	114.7	V103 S105 D234 A235	V103-R238 PolarHBondContact O-NH2 2.92Å; S105-R238 VanDerWaalsContact CB-CZ 3.45Å; S105-R238 PolarHBondContact OG-NE 2.66Å; D234-R238 VanDerWaalsContact CG-NE 3.28Å; D234-R238 WeakPolarHBondContact O-CB 3.05Å; D234-R238 WeakPolarHBondContact O-CG 3.41Å; D234-R238 PolarHBondContact O-N 2.92Å; D234-R238 IonicContact OD1-CZ 3.48Å; D234-R238 IonicContact OD1-NE 3.01Å; D234-R238 PolarHBondContact OD1-NE 3.24Å; D234-R238 IonicContact OD1-NH2 3.32Å; D234-R238 PolarHBondContact OD1-NH2 3.11Å; D234-R238 IonicContact OD2-CZ 3.21Å; D234-R238 IonicContact OD2-NE 2.92Å; D234-R238 PolarHBondContact OD2-NE 2.99Å; D234-R238 IonicContact OD2-NH2 2.67Å; D234-R238 PolarHBondContact OD2-NH2 2.78Å; A235-R238 PolarHBondContact O-N 2.74Å
239	F	96.6	Very high	97.7	Very high	77 Å²	77	17.5 Å²	17.5	34%	0.338	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113	-67.9	-168.4	-57.8	-62.7	0	0	0	112.7	W115 A235	W115-F239 WeakPolarHBondContact CH2-O 3.24Å; W115-F239 WeakPolarHBondContact CZ2-O 3.41Å; A235-F239 HydrophobicContact CB-CD2 4.48Å; A235-F239 WeakPolarHBondContact O-CA 3.3Å; A235-F239 WeakPolarHBondContact O-CB 3.23Å; A235-F239 PolarHBondContact O-N 3.34Å
240	N	98.4	Very high	97.6	Very high	10 Å²	10	18.3 Å²	18.3	5%	0.053	9%	0.088	C	C	.	.			trans	-170.9	170.2	-168.8	52.3	72.5	0	0	0	111.6	V146 I149 A235 V236 Y323	V146-N240 HydrophobicContact CG2-CB 3.7Å; V146-N240 VanDerWaalsContact CG2-CG 3.46Å; I149-N240 HydrophobicContact CD1-CB 3.72Å; A235-N240 PolarHBondContact O-N 3.45Å; V236-N240 WeakPolarHBondContact CA-O 3.32Å; N240-Y323 WeakPolarHBondContact OD1-CB 3.45Å
241	P	98.8	Very high	97.7	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.071	C	C	.	.			trans	-54.6	141.8	165.5	-29.3	39.1	0	0	0	113.4	W115 C142 L277 A278 V279	W115-P241 HydrophobicContact CB-CG 3.93Å; W115-P241 HydrophobicContact CD2-CG 4.39Å; W115-P241 HydrophobicContact CG-CG 3.74Å; C142-P241 PolarHBondContact SG-O 3.42Å; P241-L277 HydrophobicContact CB-CD1 3.82Å; P241-L277 HydrophobicContact CB-CD2 4.07Å; P241-L277 HydrophobicContact CB-CG 3.9Å; P241-A278 CarbonylContact C-O 3.5Å; P241-A278 WeakPolarHBondContact CA-O 3.46Å; P241-A278 WeakPolarHBondContact CB-O 3.1Å; P241-V279 HydrophobicContact CB-CG1 4.17Å; P241-V279 HydrophobicContact CG-CG1 4.37Å
242	V	98.9	Very high	97.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.7	-174	171.1	0	0	0	0	110.9	I224 A235 V236 A278 Y323	I224-V242 HydrophobicContact CD1-CG1 3.95Å; I224-V242 HydrophobicContact CD1-CG2 4.45Å; A235-V242 HydrophobicContact CB-CG2 3.66Å; V236-V242 HydrophobicContact CG2-CB 3.93Å; V236-V242 HydrophobicContact CG2-CG2 3.64Å; V242-A278 PolarHBondContact N-O 3.37Å; V242-A278 PolarHBondContact O-N 3.35Å; V242-Y323 HydrophobicContact CG2-CD1 4.21Å
243	S	98.8	Very high	97.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	135.8	169.7	-69.8	0	0	0	0	110.2	S138 C142 S321 S322	S138-S243 PolarHBondContact O-OG 3.36Å; S138-S243 WeakPolarHBondContact OG-CB 3.36Å; S138-S243 PolarHBondContact OG-OG 3.41Å; C142-S243 VanDerWaalsContact CB-OG 3.29Å; C142-S243 WeakPolarHBondContact CB-OG 3.3Å; S243-S321 CarbonylContact O-C 3.53Å; S243-S321 WeakPolarHBondContact O-CA 3.42Å; S243-S321 WeakPolarHBondContact O-CB 3.11Å; S243-S322 WeakPolarHBondContact CB-O 3.47Å; S243-S322 PolarHBondContact N-O 2.97Å; S243-S322 PolarHBondContact O-N 2.6Å
244	L	97.6	Very high	97.8	Very high	3 Å²	3	14.6 Å²	14.6	2%	0.016	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	162	177.3	68.1	84.5	0	0	0	110.9	M232 Y246 A275 V276 A278 L317	M232-L244 HydrophobicContact CE-CB 3.97Å; M232-L244 HydrophobicContact CE-CD2 3.5Å; M232-L244 VanDerWaalsContact CE-CD2 3.5Å; M232-L244 HydrophobicContact CE-CG 4.37Å; L244-Y246 HydrophobicContact CD1-CD1 4.08Å; L244-A275 CarbonylContact O-C 3.6Å; L244-A275 VanDerWaalsContact O-CA 3.28Å; L244-A275 WeakPolarHBondContact O-CA 3.43Å; L244-V276 HydrophobicContact CD1-CG2 3.37Å; L244-V276 HydrophobicContact CG-CG2 3.94Å; L244-V276 PolarHBondContact N-O 3.09Å; L244-V276 PolarHBondContact O-N 3.43Å; L244-A278 HydrophobicContact CD2-CB 3.78Å; L244-L317 HydrophobicContact CD1-CB 4.11Å
245	A	97.1	Very high	97.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	147.6	170.2	0	0	0	0	0	110.6	V272 H274 A275 L317 C320	A245-V272 HydrophobicContact CB-CB 4.17Å; A245-V272 HydrophobicContact CB-CG2 4.05Å; A245-H274 CarbonylContact C-O 2.96Å; A245-H274 WeakPolarHBondContact CA-O 3.47Å; A245-A275 HydrophobicContact CB-CB 4.42Å; A245-L317 WeakPolarHBondContact O-CA 3.38Å; A245-C320 PolarHBondContact N-O 2.93Å
246	Y	97.4	Very high	97.9	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.008	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	169.8	179.1	73.8	-69.6	0	0	0	110.4	L244 V248 F252 N273 H274 V276 F306 I308 C315	L244-Y246 HydrophobicContact CD1-CD1 4.08Å; Y246-V248 HydrophobicContact CE1-CG2 4.36Å; Y246-V248 HydrophobicContact CE2-CG2 3.7Å; Y246-F252 HydrophobicContact CE2-CD1 4.35Å; Y246-F252 HydrophobicContact CE2-CD2 4.36Å; Y246-F252 HydrophobicContact CE2-CE1 4.21Å; Y246-F252 HydrophobicContact CE2-CE2 4.17Å; Y246-F252 HydrophobicContact CE2-CG 4.44Å; Y246-F252 HydrophobicContact CE2-CZ 4.08Å; Y246-F252 AromaticContact CZ-CE1 3.86Å; Y246-F252 AromaticContact CZ-CZ 3.81Å; Y246-F252 WeakPolarHBondContact OH-CE1 3.23Å; Y246-F252 WeakPolarHBondContact OH-CZ 3.22Å; Y246-N273 PolarHBondContact O-N 2.98Å; Y246-H274 HydrophobicContact CE1-CB 4.17Å; Y246-H274 AromaticContact CE1-CD2 3.68Å; Y246-H274 AromaticContact CZ-CD2 3.94Å; Y246-H274 PolarHBondContact N-O 3.18Å; Y246-H274 PolarHBondContact O-N 3.31Å; Y246-H274 VanDerWaalsContact O-N 3.16Å; Y246-H274 PolarHBondContact OH-CD2 3.18Å; Y246-V276 HydrophobicContact CD1-CG2 3.79Å; Y246-V276 HydrophobicContact CE1-CB 4.37Å; Y246-V276 HydrophobicContact CE1-CG1 3.82Å; Y246-V276 HydrophobicContact CE1-CG2 3.58Å; Y246-F306 HydrophobicContact CE1-CZ 4.04Å; Y246-F306 AromaticContact CZ-CZ 3.86Å; Y246-I308 HydrophobicContact CD2-CD1 4.42Å; Y246-C315 CarbonylContact C-O 3.41Å; Y246-C315 VanDerWaalsContact CA-O 3.26Å; Y246-C315 WeakPolarHBondContact CA-O 3.47Å; Y246-C315 VanDerWaalsContact CB-O 3.31Å; Y246-C315 WeakPolarHBondContact CB-O 3.23Å; Y246-C315 HydrophobicContact CD2-CB 4Å
247	E	97.3	Very high	97.9	Very high	24 Å²	24	18.9 Å²	18.9	11%	0.112	10%	0.095	C	C	.	.			trans	-87.4	118.3	174.3	-177.1	174.9	-172.9	0	0	111	T249 C265 H266 T271 C315	E247-T249 HydrophobicContact CG-CG2 4.34Å; E247-C265 HydrophobicContact CB-CB 4.35Å; E247-C265 HydrophobicContact CG-CB 4.41Å; E247-H266 IonicContact OE1-CE1 2.73Å; E247-H266 IonicContact OE1-ND1 2.66Å; E247-H266 PolarHBondContact OE1-ND1 3.39Å; E247-H266 VanDerWaalsContact OE1-ND1 3.11Å; E247-H266 WeakPolarHBondContact OE2-CA 3.39Å; E247-H266 VanDerWaalsContact OE2-CB 3.24Å; E247-H266 WeakPolarHBondContact OE2-CB 3.34Å; E247-H266 IonicContact OE2-CG 3.71Å; E247-H266 PolarHBondContact OE2-N 3.15Å; E247-H266 IonicContact OE2-ND1 2.68Å; E247-H266 PolarHBondContact OE2-ND1 2.98Å; E247-T271 WeakPolarHBondContact OE2-CB 3.5Å; E247-T271 PolarHBondContact OE2-OG1 2.97Å; E247-C315 HydrophobicContact CB-CB 4.42Å; E247-C315 PolarHBondContact N-O 3.33Å; E247-C315 WeakPolarHBondContact O-CB 3.45Å
248	V	98	Very high	97.8	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.006	10%	0.103	C	C	.	.			trans	-83.3	130.7	166.5	172.2	0	0	0	0	109.1	F80 F83 L88 Y246 F252 N273 H274 W296	F80-V248 HydrophobicContact CE2-CG1 4.21Å; F80-V248 WeakPolarHBondContact CZ-O 3.03Å; F83-V248 HydrophobicContact CE1-CG1 4.13Å; L88-V248 HydrophobicContact CD1-CB 4.04Å; L88-V248 HydrophobicContact CD1-CG1 4.08Å; L88-V248 HydrophobicContact CD2-CB 4.04Å; L88-V248 HydrophobicContact CD2-CG1 4.2Å; L88-V248 HydrophobicContact CD2-CG2 4.16Å; Y246-V248 HydrophobicContact CE1-CG2 4.36Å; Y246-V248 HydrophobicContact CE2-CG2 3.7Å; V248-F252 HydrophobicContact CB-CD1 4.49Å; V248-F252 HydrophobicContact CG1-CB 4.27Å; V248-F252 HydrophobicContact CG1-CD1 3.96Å; V248-F252 HydrophobicContact CG2-CD1 3.95Å; V248-F252 HydrophobicContact CG2-CE1 4.35Å; V248-N273 WeakPolarHBondContact CB-OD1 3.4Å; V248-N273 PolarHBondContact N-OD1 3.49Å; V248-N273 PolarHBondContact O-ND2 2.87Å; V248-N273 VanDerWaalsContact O-ND2 3.09Å; V248-H274 HydrophobicContact CB-CB 4.47Å; V248-H274 HydrophobicContact CG2-CB 3.46Å; V248-H274 VanDerWaalsContact CG2-CB 3.46Å; V248-W296 HydrophobicContact CG1-CH2 4.08Å; V248-W296 HydrophobicContact CG2-CH2 4.04Å; V248-W296 HydrophobicContact CG2-CZ2 4.41Å
249	T	97.1	Very high	98	Very high	11 Å²	11	14.8 Å²	14.8	7%	0.067	9%	0.086	C	C	.	.			trans	-114.8	177.8	171.6	47.9	0	0	0	0	111.3	E247 D251 F252 M253 Y260 E264 C265	E247-T249 HydrophobicContact CG-CG2 4.34Å; T249-D251 VanDerWaalsContact C-N 3.33Å; T249-D251 WeakPolarHBondContact CB-OD1 3.04Å; T249-D251 PolarHBondContact O-N 2.93Å; T249-D251 PolarHBondContact OG1-OD1 2.84Å; T249-F252 PolarHBondContact O-N 3.43Å; T249-M253 PolarHBondContact O-N 3.2Å; T249-Y260 PolarHBondContact OG1-OH 3.12Å; T249-Y260 VanDerWaalsContact OG1-OH 3.07Å; T249-E264 HydrophobicContact CG2-CB 4.37Å; T249-C265 HydrophobicContact CG2-CB 3.88Å
250	S	96.9	Very high	98	Very high	34 Å²	34	11.1 Å²	11.1	24%	0.238	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-29.3	-169.2	73.8	0	0	0	0	115	M253 H254	S250-M253 WeakPolarHBondContact O-CB 3.42Å; S250-H254 PolarHBondContact O-ND1 3.47Å
251	D	97.7	Very high	98	Very high	24 Å²	24	12.5 Å²	12.5	13%	0.128	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-43.1	174.2	60.8	-26.4	0	0	0	111.6	M70 T249 M253 H254 Y255 Y260	M70-D251 HydrophobicContact CE-CB 4.48Å; M70-D251 HydrophobicContact SD-CB 4.4Å; T249-D251 VanDerWaalsContact C-N 3.33Å; T249-D251 WeakPolarHBondContact CB-OD1 3.04Å; T249-D251 PolarHBondContact O-N 2.93Å; T249-D251 PolarHBondContact OG1-OD1 2.84Å; D251-M253 VanDerWaalsContact C-N 3.26Å; D251-M253 PolarHBondContact O-N 3.49Å; D251-H254 PolarHBondContact O-N 2.64Å; D251-Y255 PolarHBondContact O-N 2.84Å; D251-Y260 VanDerWaalsContact CG-OH 3.29Å; D251-Y260 PolarHBondContact OD1-OH 3.35Å; D251-Y260 VanDerWaalsContact OD2-CE2 3.26Å; D251-Y260 WeakPolarHBondContact OD2-CE2 3.46Å; D251-Y260 PolarHBondContact OD2-OH 3.49Å
252	F	98.7	Very high	97.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-62.4	-32.7	180	-170.7	-89.5	0	0	0	112.7	Y246 V248 T249 H254 Y255 Y260 W296 W300 F306	Y246-F252 HydrophobicContact CE2-CD1 4.35Å; Y246-F252 HydrophobicContact CE2-CD2 4.36Å; Y246-F252 HydrophobicContact CE2-CE1 4.21Å; Y246-F252 HydrophobicContact CE2-CE2 4.17Å; Y246-F252 HydrophobicContact CE2-CG 4.44Å; Y246-F252 HydrophobicContact CE2-CZ 4.08Å; Y246-F252 AromaticContact CZ-CE1 3.86Å; Y246-F252 AromaticContact CZ-CZ 3.81Å; Y246-F252 WeakPolarHBondContact OH-CE1 3.23Å; Y246-F252 WeakPolarHBondContact OH-CZ 3.22Å; V248-F252 HydrophobicContact CB-CD1 4.49Å; V248-F252 HydrophobicContact CG1-CB 4.27Å; V248-F252 HydrophobicContact CG1-CD1 3.96Å; V248-F252 HydrophobicContact CG2-CD1 3.95Å; V248-F252 HydrophobicContact CG2-CE1 4.35Å; T249-F252 PolarHBondContact O-N 3.43Å; F252-H254 PolarHBondContact O-N 2.9Å; F252-Y255 WeakPolarHBondContact O-CB 3.49Å; F252-Y255 PolarHBondContact O-N 3.42Å; F252-Y260 HydrophobicContact CB-CE1 4.38Å; F252-Y260 HydrophobicContact CB-CE2 4Å; F252-Y260 AromaticContact CD2-CD1 3.63Å; F252-Y260 HydrophobicContact CD2-CD1 3.63Å; F252-Y260 AromaticContact CD2-CD2 3.82Å; F252-Y260 HydrophobicContact CD2-CD2 3.82Å; F252-Y260 AromaticContact CD2-CE1 3.59Å; F252-Y260 HydrophobicContact CD2-CE1 3.59Å; F252-Y260 AromaticContact CD2-CE2 3.8Å; F252-Y260 HydrophobicContact CD2-CE2 3.8Å; F252-Y260 AromaticContact CD2-CG 3.74Å; F252-Y260 HydrophobicContact CD2-CG 3.74Å; F252-Y260 AromaticContact CD2-CZ 3.69Å; F252-Y260 HydrophobicContact CE2-CD1 4.03Å; F252-Y260 HydrophobicContact CE2-CE1 4.37Å; F252-Y260 HydrophobicContact CE2-CG 4.1Å; F252-Y260 HydrophobicContact CG-CE1 4.39Å; F252-Y260 HydrophobicContact CG-CE2 4.42Å; F252-W296 AromaticContact CD1-CH2 3.81Å; F252-W296 HydrophobicContact CD1-CH2 3.81Å; F252-W296 AromaticContact CD1-CZ3 3.85Å; F252-W296 HydrophobicContact CD1-CZ3 3.85Å; F252-W296 AromaticContact CE1-CH2 3.73Å; F252-W296 HydrophobicContact CE1-CH2 3.73Å; F252-W296 AromaticContact CE1-CZ3 3.64Å; F252-W296 HydrophobicContact CE1-CZ3 3.64Å; F252-W300 HydrophobicContact CD1-CZ2 4.07Å; F252-W300 AromaticContact CE1-CH2 3.54Å; F252-W300 HydrophobicContact CE1-CH2 3.54Å; F252-W300 AromaticContact CE1-CZ2 3.44Å; F252-W300 HydrophobicContact CE1-CZ2 3.44Å; F252-W300 VanDerWaalsContact CE1-CZ2 3.44Å; F252-W300 HydrophobicContact CE2-CH2 4.27Å; F252-W300 AromaticContact CZ-CH2 3.4Å; F252-W300 HydrophobicContact CZ-CH2 3.4Å; F252-W300 VanDerWaalsContact CZ-CH2 3.4Å; F252-W300 AromaticContact CZ-CZ2 3.75Å; F252-W300 HydrophobicContact CZ-CZ2 3.75Å; F252-F306 AromaticContact CE2-CD2 3.58Å; F252-F306 HydrophobicContact CE2-CD2 3.58Å; F252-F306 AromaticContact CE2-CE2 3.7Å; F252-F306 HydrophobicContact CE2-CE2 3.7Å; F252-F306 HydrophobicContact CE2-CG 4.02Å; F252-F306 HydrophobicContact CE2-CZ 4.23Å; F252-F306 HydrophobicContact CZ-CB 4.47Å; F252-F306 AromaticContact CZ-CD1 3.86Å; F252-F306 HydrophobicContact CZ-CD1 3.86Å; F252-F306 AromaticContact CZ-CD2 3.69Å; F252-F306 HydrophobicContact CZ-CD2 3.69Å; F252-F306 AromaticContact CZ-CE1 3.85Å; F252-F306 HydrophobicContact CZ-CE1 3.85Å; F252-F306 AromaticContact CZ-CE2 3.67Å; F252-F306 HydrophobicContact CZ-CE2 3.67Å; F252-F306 AromaticContact CZ-CG 3.76Å; F252-F306 HydrophobicContact CZ-CG 3.76Å; F252-F306 AromaticContact CZ-CZ 3.73Å; F252-F306 HydrophobicContact CZ-CZ 3.73Å
253	M	98.3	Very high	97.6	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.01	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-50.4	-32.9	173.6	-175.2	173.8	79.7	0	0	112	N73 F75 F80 F83 T249 S250 D251 W300	N73-M253 PolarHBondContact ND2-O 3.34Å; F75-M253 HydrophobicContact CB-CG 3.88Å; F75-M253 HydrophobicContact CB-SD 4.13Å; F75-M253 HydrophobicContact CD2-CG 4.26Å; F75-M253 HydrophobicContact CG-CG 4.35Å; F80-M253 HydrophobicContact CD2-SD 4.32Å; F83-M253 HydrophobicContact CB-SD 3.39Å; F83-M253 WeakPolarHBondContact CB-SD 3.42Å; F83-M253 HydrophobicContact CD1-CG 4.17Å; F83-M253 HydrophobicContact CD1-SD 3.84Å; F83-M253 HydrophobicContact CD2-CG 3.83Å; F83-M253 HydrophobicContact CD2-SD 3.55Å; F83-M253 VanDerWaalsContact CD2-SD 3.55Å; F83-M253 HydrophobicContact CE1-CG 4.26Å; F83-M253 HydrophobicContact CE2-CG 3.93Å; F83-M253 HydrophobicContact CE2-SD 4.27Å; F83-M253 HydrophobicContact CG-CG 3.96Å; F83-M253 HydrophobicContact CG-SD 3.29Å; F83-M253 WeakPolarHBondContact CG-SD 3.23Å; F83-M253 HydrophobicContact CZ-CG 4.14Å; T249-M253 PolarHBondContact O-N 3.2Å; S250-M253 WeakPolarHBondContact O-CB 3.42Å; D251-M253 VanDerWaalsContact C-N 3.26Å; D251-M253 PolarHBondContact O-N 3.49Å; M253-W300 PolarHBondContact O-NE1 3.45Å; M253-W300 VanDerWaalsContact O-NE1 3.15Å
254	H	98.6	Very high	97.4	Very high	3 Å²	3	28.2 Å²	28.2	1%	0.014	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-107.8	14.1	-178.4	-58.3	104.9	0	0	0	114.2	N54 I58 M70 G71 S250 D251 F252 D256	N54-H254 VanDerWaalsContact CG-CE1 3.49Å; N54-H254 PolarHBondContact OD1-CE1 3.48Å; I58-H254 HydrophobicContact CD1-CB 4.22Å; I58-H254 HydrophobicContact CG1-CB 4.13Å; M70-H254 CarbonylContact C-O 3.48Å; M70-H254 WeakPolarHBondContact CA-O 3.32Å; M70-H254 HydrophobicContact CB-CB 4.19Å; M70-H254 WeakPolarHBondContact CB-O 3.29Å; M70-H254 HydrophobicContact CE-CB 3.65Å; M70-H254 HydrophobicContact CG-CB 4.43Å; G71-H254 PolarHBondContact N-O 2.98Å; S250-H254 PolarHBondContact O-ND1 3.47Å; D251-H254 PolarHBondContact O-N 2.64Å; F252-H254 PolarHBondContact O-N 2.9Å; H254-D256 PolarHBondContact O-N 2.83Å
255	Y	98.8	Very high	97.4	Very high	1 Å²	1	28.6 Å²	28.6	0%	0.004	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	135.9	176	168.5	-83.8	0	0	0	111.6	F68 D251 F252 G258 Y260 W300 G301 M302 F306 F307	F68-Y255 HydrophobicContact CB-CD2 4.32Å; F68-Y255 HydrophobicContact CB-CE2 4.19Å; F68-Y255 AromaticContact CD2-CD2 3.99Å; F68-Y255 HydrophobicContact CD2-CD2 3.99Å; F68-Y255 HydrophobicContact CG-CD2 4.48Å; D251-Y255 PolarHBondContact O-N 2.84Å; F252-Y255 WeakPolarHBondContact O-CB 3.49Å; F252-Y255 PolarHBondContact O-N 3.42Å; Y255-G258 WeakPolarHBondContact CE2-O 3.43Å; Y255-G258 PolarHBondContact OH-O 2.94Å; Y255-Y260 HydrophobicContact CD2-CD2 4.34Å; Y255-W300 AromaticContact CD1-CH2 3.68Å; Y255-W300 HydrophobicContact CD1-CH2 3.68Å; Y255-W300 AromaticContact CD1-CZ2 3.96Å; Y255-W300 HydrophobicContact CD1-CZ2 3.96Å; Y255-W300 HydrophobicContact CD1-CZ3 4.19Å; Y255-W300 HydrophobicContact CE1-CH2 4.47Å; Y255-W300 HydrophobicContact CG-CH2 4.28Å; Y255-W300 HydrophobicContact CG-CZ2 4.3Å; Y255-G301 WeakPolarHBondContact O-CA 3.45Å; Y255-M302 HydrophobicContact CE1-CG 4.19Å; Y255-M302 PolarHBondContact OH-SD 3.47Å; Y255-F306 HydrophobicContact CD1-CB 3.69Å; Y255-F306 HydrophobicContact CE1-CB 3.26Å; Y255-F306 HydrophobicContact CE2-CB 4.22Å; Y255-F306 HydrophobicContact CG-CB 4.36Å; Y255-F306 WeakPolarHBondContact OH-CA 3.26Å; Y255-F307 PolarHBondContact OH-N 3.2Å; Y255-F307 VanDerWaalsContact OH-N 3.16Å
256	D	98.6	Very high	97.3	Very high	78 Å²	78	33.4 Å²	33.4	42%	0.417	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	-43	179.1	-170.9	61.4	0	0	0	112.5	T69 H254 G301 M302	T69-D256 PolarHBondContact O-N 3.02Å; H254-D256 PolarHBondContact O-N 2.83Å; D256-G301 CarbonylContact O-C 3.44Å; D256-G301 VanDerWaalsContact O-C 3.27Å; D256-M302 WeakPolarHBondContact O-CG 3.46Å; D256-M302 PolarHBondContact O-N 2.95Å
257	G	98	Very high	97	Very high	10 Å²	10	36.7 Å²	36.7	10%	0.103	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	171.2	-179.6	0	0	0	0	0	114.7	F68 T69	F68-G257 CarbonylContact C-O 3.59Å; F68-G257 WeakPolarHBondContact CA-O 3.38Å; F68-G257 VanDerWaalsContact CB-O 3.23Å; F68-G257 WeakPolarHBondContact CB-O 3.24Å; T69-G257 PolarHBondContact N-O 3.04Å; T69-G257 PolarHBondContact O-N 2.97Å; T69-G257 PolarHBondContact OG1-N 2.93Å
258	G	97.4	Very high	96.7	Very high	24 Å²	24	38 Å²	38	25%	0.247	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85.5	-168.8	-179.6	0	0	0	0	0	113.8	T67 Y255 F307	T67-G258 CarbonylContact O-C 3.52Å; T67-G258 WeakPolarHBondContact O-CA 3.24Å; Y255-G258 WeakPolarHBondContact CE2-O 3.43Å; Y255-G258 PolarHBondContact OH-O 2.94Å; G258-F307 WeakPolarHBondContact O-CB 3.22Å
259	V	98.3	Very high	96.2	Very high	6 Å²	6	39.1 Å²	39.1	4%	0.036	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	107	-178.1	-179.5	0	0	0	0	109.7	T67 T287 Y289 F307 E309	T67-V259 CarbonylContact C-O 3.47Å; T67-V259 VanDerWaalsContact CB-O 3.29Å; T67-V259 WeakPolarHBondContact CB-O 3.45Å; T67-V259 PolarHBondContact O-N 3.29Å; T67-V259 PolarHBondContact OG1-O 3.18Å; V259-T287 HydrophobicContact CB-CG2 4.45Å; V259-T287 HydrophobicContact CG1-CG2 3.89Å; V259-Y289 HydrophobicContact CG2-CD1 3.76Å; V259-Y289 HydrophobicContact CG2-CE1 4.47Å; V259-Y289 HydrophobicContact CG2-CG 3.97Å; V259-F307 HydrophobicContact CG2-CB 4.29Å; V259-E309 HydrophobicContact CG1-CB 4.03Å
260	Y	98.4	Very high	95.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	134.1	179	-178.1	-105	0	0	0	111.8	F68 T249 D251 F252 Y255 S262 F307 I308 E309	F68-Y260 HydrophobicContact CD1-CD2 4.04Å; F68-Y260 AromaticContact CD2-CD2 3.95Å; F68-Y260 HydrophobicContact CD2-CD2 3.95Å; F68-Y260 AromaticContact CE1-CD2 3.86Å; F68-Y260 HydrophobicContact CE1-CD2 3.86Å; F68-Y260 HydrophobicContact CE1-CE2 4.08Å; F68-Y260 AromaticContact CE2-CD2 3.77Å; F68-Y260 HydrophobicContact CE2-CD2 3.77Å; F68-Y260 AromaticContact CE2-CE2 3.98Å; F68-Y260 HydrophobicContact CE2-CE2 3.98Å; F68-Y260 HydrophobicContact CG-CD2 4.07Å; F68-Y260 AromaticContact CZ-CD2 3.71Å; F68-Y260 HydrophobicContact CZ-CD2 3.71Å; F68-Y260 AromaticContact CZ-CE2 3.68Å; F68-Y260 HydrophobicContact CZ-CE2 3.68Å; T249-Y260 PolarHBondContact OG1-OH 3.12Å; T249-Y260 VanDerWaalsContact OG1-OH 3.07Å; D251-Y260 VanDerWaalsContact CG-OH 3.29Å; D251-Y260 PolarHBondContact OD1-OH 3.35Å; D251-Y260 VanDerWaalsContact OD2-CE2 3.26Å; D251-Y260 WeakPolarHBondContact OD2-CE2 3.46Å; D251-Y260 PolarHBondContact OD2-OH 3.49Å; F252-Y260 HydrophobicContact CB-CE1 4.38Å; F252-Y260 HydrophobicContact CB-CE2 4Å; F252-Y260 AromaticContact CD2-CD1 3.63Å; F252-Y260 HydrophobicContact CD2-CD1 3.63Å; F252-Y260 AromaticContact CD2-CD2 3.82Å; F252-Y260 HydrophobicContact CD2-CD2 3.82Å; F252-Y260 AromaticContact CD2-CE1 3.59Å; F252-Y260 HydrophobicContact CD2-CE1 3.59Å; F252-Y260 AromaticContact CD2-CE2 3.8Å; F252-Y260 HydrophobicContact CD2-CE2 3.8Å; F252-Y260 AromaticContact CD2-CG 3.74Å; F252-Y260 HydrophobicContact CD2-CG 3.74Å; F252-Y260 AromaticContact CD2-CZ 3.69Å; F252-Y260 HydrophobicContact CE2-CD1 4.03Å; F252-Y260 HydrophobicContact CE2-CE1 4.37Å; F252-Y260 HydrophobicContact CE2-CG 4.1Å; F252-Y260 HydrophobicContact CG-CE1 4.39Å; F252-Y260 HydrophobicContact CG-CE2 4.42Å; Y255-Y260 HydrophobicContact CD2-CD2 4.34Å; Y260-S262 VanDerWaalsContact OH-CB 3.22Å; Y260-S262 WeakPolarHBondContact OH-CB 3.13Å; Y260-F307 WeakPolarHBondContact CB-O 3.28Å; Y260-F307 PolarHBondContact N-O 3.19Å; Y260-I308 HydrophobicContact CD1-CD1 3.93Å; Y260-I308 HydrophobicContact CD1-CG1 4.04Å; Y260-E309 PolarHBondContact O-N 2.87Å
261	T	97	Very high	95.6	Very high	39 Å²	39	44.4 Å²	44.4	24%	0.239	24%	0.242	C	C	.	.			trans	-144	144.4	173.5	59.1	0	0	0	0	108	T67 F68 E309 M314	T67-T261 PolarHBondContact OG1-OG1 2.9Å; F68-T261 WeakPolarHBondContact CE1-O 3.44Å; T261-E309 HydrophobicContact CG2-CB 3.68Å; T261-E309 HydrophobicContact CG2-CG 4.33Å; T261-E309 VanDerWaalsContact CG2-OE2 3.31Å; T261-E309 WeakPolarHBondContact CG2-OE2 3.42Å; T261-M314 HydrophobicContact CG2-CE 4.2Å
262	S	96.4	Very high	95.4	Very high	14 Å²	14	43.8 Å²	43.8	10%	0.098	24%	0.239	C	C	.	.			trans	-141.1	145.8	175.1	174.1	0	0	0	0	111.4	Y260 E264 C265 M314	Y260-S262 VanDerWaalsContact OH-CB 3.22Å; Y260-S262 WeakPolarHBondContact OH-CB 3.13Å; S262-E264 PolarHBondContact OG-N 3.28Å; S262-C265 PolarHBondContact OG-N 3.08Å; S262-M314 PolarHBondContact N-SD 3.43Å; S262-M314 VanDerWaalsContact N-SD 3.38Å
263	M	93.8	Very high	95.3	Very high	192 Å²	192	44.4 Å²	44.4	95%	0.946	24%	0.242	S	C	*	.	S	Bend	trans	-99.5	-6.6	170	-61.3	-63.8	-64.4	0	0	111.4
264	E	94.3	Very high	95.3	Very high	124 Å²	124	44.3 Å²	44.3	58%	0.579	24%	0.241	S	C	*	.	S	Bend	trans	-92.5	-35.2	-178.3	-60.5	-171	167.3	0	0	112.2	T249 S262	T249-E264 HydrophobicContact CG2-CB 4.37Å; S262-E264 PolarHBondContact OG-N 3.28Å
265	C	96.4	Very high	95.3	Very high	12 Å²	12	44.2 Å²	44.2	8%	0.081	24%	0.241	C	C	.	.	S	Bend	trans	-72	147.2	178.1	69.9	0	0	0	0	111	E247 T249 S262 C315	E247-C265 HydrophobicContact CB-CB 4.35Å; E247-C265 HydrophobicContact CG-CB 4.41Å; T249-C265 HydrophobicContact CG2-CB 3.88Å; S262-C265 PolarHBondContact OG-N 3.08Å; C265-C315 HydrophobicContact CB-CB 3.58Å; C265-C315 WeakPolarHBondContact CB-SG 3.22Å; C265-C315 WeakPolarHBondContact SG-CA 3.47Å; C265-C315 WeakPolarHBondContact SG-CB 3.49Å; C265-C315 PolarHBondContact SG-N 3.37Å; C265-C315 VanDerWaalsContact SG-N 3.43Å; C265-C315 CovalentContact SG-SG 2.04Å; C265-C315 PolarHBondContact SG-SG 3.36Å
266	H	95	Very high	95.3	Very high	101 Å²	101	44.3 Å²	44.3	47%	0.468	24%	0.242	S	C	.	.			trans	-91.7	159.3	178.1	-49.4	81.7	0	0	0	110.6	E247 T271 C315 G316	E247-H266 IonicContact OE1-CE1 2.73Å; E247-H266 IonicContact OE1-ND1 2.66Å; E247-H266 PolarHBondContact OE1-ND1 3.39Å; E247-H266 VanDerWaalsContact OE1-ND1 3.11Å; E247-H266 WeakPolarHBondContact OE2-CA 3.39Å; E247-H266 VanDerWaalsContact OE2-CB 3.24Å; E247-H266 WeakPolarHBondContact OE2-CB 3.34Å; E247-H266 IonicContact OE2-CG 3.71Å; E247-H266 PolarHBondContact OE2-N 3.15Å; E247-H266 IonicContact OE2-ND1 2.68Å; E247-H266 PolarHBondContact OE2-ND1 2.98Å; H266-T271 HydrophobicContact CB-CG2 3.98Å; H266-C315 CarbonylContact O-C 3.45Å; H266-C315 VanDerWaalsContact O-CA 3.23Å; H266-C315 WeakPolarHBondContact O-CA 3.37Å; H266-G316 PolarHBondContact O-N 2.85Å
267	N	92.4	Very high	95.3	Very high	70 Å²	70	40.7 Å²	40.7	37%	0.374	22%	0.223	S	C	.	.	S	Bend	trans	-103.4	25.6	179.4	-67.7	-11.6	0	0	0	112.6	Y227 N313 C315	Y227-N267 WeakPolarHBondContact CE1-O 3.19Å; N267-N313 PolarHBondContact O-ND2 3.23Å; N267-N313 VanDerWaalsContact O-ND2 3.07Å; N267-N313 PolarHBondContact OD1-O 2.81Å; N267-C315 PolarHBondContact OD1-N 3.4Å; N267-C315 VanDerWaalsContact OD1-N 3.08Å
268	T	90.4	Very high	95.4	Very high	52 Å²	52	40.2 Å²	40.2	32%	0.319	22%	0.218	S	C	.	.	S	Bend	trans	-112.1	160.2	-175.1	63.4	0	0	0	0	112.2	D270 T271	T268-D270 WeakPolarHBondContact CB-OD1 3.38Å; T268-D270 PolarHBondContact OG1-OD1 3.29Å; T268-T271 PolarHBondContact O-OG1 3.47Å
269	T	88.7	Confident	95.4	Very high	25 Å²	25	39.1 Å²	39.1	15%	0.153	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-16.3	-173.8	48.2	0	0	0	0	113.8	C95 K226 Y227 V272	C95-T269 HydrophobicContact CB-CG2 4.09Å; K226-T269 HydrophobicContact CD-CG2 3.92Å; K226-T269 HydrophobicContact CG-CG2 4.31Å; K226-T269 PolarHBondContact NZ-OG1 3.34Å; Y227-T269 HydrophobicContact CE1-CG2 4.37Å; T269-V272 WeakPolarHBondContact O-CG2 3.36Å
270	D	89	Confident	95.5	Very high	124 Å²	124	38.8 Å²	38.8	66%	0.663	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-12.6	-178.9	57.1	-50	0	0	0	113.2	T268	T268-D270 WeakPolarHBondContact CB-OD1 3.38Å; T268-D270 PolarHBondContact OG1-OD1 3.29Å
271	T	91.1	Very high	95.5	Very high	32 Å²	32	39 Å²	39	20%	0.196	21%	0.205	C	C	.	.	S	Bend	trans	-104	-13	179.2	67.3	0	0	0	0	113.7	E247 H266 T268 N273	E247-T271 WeakPolarHBondContact OE2-CB 3.5Å; E247-T271 PolarHBondContact OE2-OG1 2.97Å; H266-T271 HydrophobicContact CB-CG2 3.98Å; T268-T271 PolarHBondContact O-OG1 3.47Å; T271-N273 PolarHBondContact O-N 3.28Å
272	V	93.9	Very high	95.5	Very high	10 Å²	10	38.3 Å²	38.3	6%	0.061	20%	0.202	C	C	.	.			trans	-60	132	177.7	-54.1	0	0	0	0	110	A245 T269	A245-V272 HydrophobicContact CB-CB 4.17Å; A245-V272 HydrophobicContact CB-CG2 4.05Å; T269-V272 WeakPolarHBondContact O-CG2 3.36Å
273	N	96.6	Very high	95.5	Very high	13 Å²	13	43 Å²	43	7%	0.07	22%	0.223	C	C	.	.			trans	-140.9	8.2	-168.7	65.3	19.2	0	0	0	112.7	L89 Y246 V248 T271	L89-N273 VanDerWaalsContact CG-O 3.24Å; L89-N273 WeakPolarHBondContact CG-O 3.37Å; L89-N273 PolarHBondContact N-O 3.42Å; Y246-N273 PolarHBondContact O-N 2.98Å; V248-N273 WeakPolarHBondContact CB-OD1 3.4Å; V248-N273 PolarHBondContact N-OD1 3.49Å; V248-N273 PolarHBondContact O-ND2 2.87Å; V248-N273 VanDerWaalsContact O-ND2 3.09Å; T271-N273 PolarHBondContact O-N 3.28Å
274	H	98.1	Very high	95.1	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	139	178.2	-164.4	52.6	0	0	0	111	L88 Q128 C134 A245 Y246 V248 V276 N294 W296	L88-H274 HydrophobicContact CD2-CB 4.1Å; Q128-H274 PolarHBondContact OE1-CE1 3.39Å; C134-H274 WeakPolarHBondContact CB-CE1 3.47Å; C134-H274 WeakPolarHBondContact CB-ND1 3.32Å; C134-H274 PolarHBondContact SG-ND1 3.02Å; A245-H274 CarbonylContact C-O 2.96Å; A245-H274 WeakPolarHBondContact CA-O 3.47Å; Y246-H274 HydrophobicContact CE1-CB 4.17Å; Y246-H274 AromaticContact CE1-CD2 3.68Å; Y246-H274 AromaticContact CZ-CD2 3.94Å; Y246-H274 PolarHBondContact N-O 3.18Å; Y246-H274 PolarHBondContact O-N 3.31Å; Y246-H274 VanDerWaalsContact O-N 3.16Å; Y246-H274 PolarHBondContact OH-CD2 3.18Å; V248-H274 HydrophobicContact CB-CB 4.47Å; V248-H274 HydrophobicContact CG2-CB 3.46Å; V248-H274 VanDerWaalsContact CG2-CB 3.46Å; H274-V276 VanDerWaalsContact CD2-CG1 3.49Å; H274-V276 WeakPolarHBondContact CD2-CG1 3.4Å; H274-N294 PolarHBondContact NE2-OD1 3.39Å; H274-W296 AromaticContact CD2-CZ2 3.71Å; H274-W296 AromaticContact CE1-CE2 3.53Å; H274-W296 AromaticContact CE1-CZ2 3.46Å; H274-W296 VanDerWaalsContact CE1-CZ2 3.46Å; H274-W296 WeakPolarHBondContact CE1-CZ2 3.06Å; H274-W296 AromaticContact CE1-NE1 3.3Å; H274-W296 PolarHBondContact CE1-NE1 3.4Å; H274-W296 VanDerWaalsContact CE1-NE1 3.3Å; H274-W296 AromaticContact ND1-CZ2 3.9Å; H274-W296 AromaticContact NE2-CE2 3.56Å; H274-W296 AromaticContact NE2-CZ2 3.34Å; H274-W296 VanDerWaalsContact NE2-CZ2 3.34Å; H274-W296 WeakPolarHBondContact NE2-CZ2 3.15Å; H274-W296 AromaticContact NE2-NE1 3.72Å
275	A	98.4	Very high	94.7	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.008	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.1	179.4	0	0	0	0	0	111.3	C134 W135 P179 L244 A245	C134-A275 WeakPolarHBondContact CB-O 3.45Å; C134-A275 PolarHBondContact SG-N 3.12Å; W135-A275 HydrophobicContact CB-CB 4.17Å; P179-A275 HydrophobicContact CG-CB 4.2Å; L244-A275 CarbonylContact O-C 3.6Å; L244-A275 VanDerWaalsContact O-CA 3.28Å; L244-A275 WeakPolarHBondContact O-CA 3.43Å; A245-A275 HydrophobicContact CB-CB 4.42Å
276	V	98.9	Very high	94.3	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.018	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	172.8	-170	-68.8	0	0	0	0	110.9	S138 L244 Y246 H274 V292 F306	S138-V276 PolarHBondContact OG-O 2.46Å; S138-V276 VanDerWaalsContact OG-O 3.05Å; L244-V276 HydrophobicContact CD1-CG2 3.37Å; L244-V276 HydrophobicContact CG-CG2 3.94Å; L244-V276 PolarHBondContact N-O 3.09Å; L244-V276 PolarHBondContact O-N 3.43Å; Y246-V276 HydrophobicContact CD1-CG2 3.79Å; Y246-V276 HydrophobicContact CE1-CB 4.37Å; Y246-V276 HydrophobicContact CE1-CG1 3.82Å; Y246-V276 HydrophobicContact CE1-CG2 3.58Å; H274-V276 VanDerWaalsContact CD2-CG1 3.49Å; H274-V276 WeakPolarHBondContact CD2-CG1 3.4Å; V276-V292 HydrophobicContact CB-CG1 3.61Å; V276-V292 HydrophobicContact CG1-CG1 4.49Å; V276-V292 HydrophobicContact CG2-CG1 3.4Å; V276-F306 HydrophobicContact CG1-CE1 4.25Å; V276-F306 HydrophobicContact CG2-CZ 4.22Å
277	L	98.9	Very high	94.1	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.016	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	114.7	-175	-175.9	72.6	0	0	0	111.9	G141 C142 P241 V279 V292 K293	G141-L277 VanDerWaalsContact C-CD2 3.49Å; C142-L277 HydrophobicContact CB-CD1 3.56Å; P241-L277 HydrophobicContact CB-CD1 3.82Å; P241-L277 HydrophobicContact CB-CD2 4.07Å; P241-L277 HydrophobicContact CB-CG 3.9Å; L277-V279 HydrophobicContact CD2-CG1 3.7Å; L277-V279 HydrophobicContact CG-CG1 3.85Å; L277-V279 PolarHBondContact O-N 3.07Å; L277-V292 CarbonylContact O-C 3.54Å; L277-V292 WeakPolarHBondContact O-CA 3.4Å; L277-K293 HydrophobicContact CB-CB 4.25Å; L277-K293 HydrophobicContact CD2-CD 4.43Å; L277-K293 PolarHBondContact N-O 3.34Å; L277-K293 PolarHBondContact O-N 3.18Å
278	A	98.9	Very high	94.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	109	169.1	0	0	0	0	0	109.9	V236 P241 V242 L244 W290	V236-A278 HydrophobicContact CG2-CB 4.34Å; P241-A278 CarbonylContact C-O 3.5Å; P241-A278 WeakPolarHBondContact CA-O 3.46Å; P241-A278 WeakPolarHBondContact CB-O 3.1Å; V242-A278 PolarHBondContact N-O 3.37Å; V242-A278 PolarHBondContact O-N 3.35Å; L244-A278 HydrophobicContact CD2-CB 3.78Å; A278-W290 HydrophobicContact CB-CE3 4.2Å
279	V	98.9	Very high	94.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	5.4	-177.9	-60.7	0	0	0	0	112.9	W115 R116 V122 P241 L277 I291 K293 Y305	W115-V279 WeakPolarHBondContact CB-O 3.11Å; W115-V279 PolarHBondContact N-O 3.14Å; R116-V279 HydrophobicContact CG-CG2 4.37Å; V122-V279 HydrophobicContact CG1-CG1 4.05Å; V122-V279 HydrophobicContact CG2-CB 4.36Å; V122-V279 HydrophobicContact CG2-CG1 4.17Å; P241-V279 HydrophobicContact CB-CG1 4.17Å; P241-V279 HydrophobicContact CG-CG1 4.37Å; L277-V279 HydrophobicContact CD2-CG1 3.7Å; L277-V279 HydrophobicContact CG-CG1 3.85Å; L277-V279 PolarHBondContact O-N 3.07Å; V279-I291 HydrophobicContact CG2-CB 4.26Å; V279-I291 HydrophobicContact CG2-CG2 3.65Å; V279-I291 WeakPolarHBondContact CG2-O 3.39Å; V279-I291 PolarHBondContact N-O 3.45Å; V279-K293 HydrophobicContact CG1-CB 4.07Å; V279-Y305 HydrophobicContact CG2-CD1 4.22Å; V279-Y305 HydrophobicContact CG2-CE1 3.82Å
280	G	98.8	Very high	95.2	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.9	-179.9	-175.7	0	0	0	0	0	112.6	V113 I291	V113-G280 CarbonylContact O-C 3.52Å; V113-G280 WeakPolarHBondContact O-CA 3.42Å; G280-I291 PolarHBondContact N-O 3.4Å; G280-I291 PolarHBondContact O-N 3.4Å
281	Y	98.8	Very high	95.7	Very high	3 Å²	3	30.4 Å²	30.4	1%	0.012	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	159.8	173.6	58.4	-98.9	0	0	0	109.5	P110 S112 V113 L233 V236 A237 Y289 W290	P110-Y281 VanDerWaalsContact O-CE2 3.26Å; P110-Y281 WeakPolarHBondContact O-CE2 3.42Å; P110-Y281 PolarHBondContact O-OH 3.2Å; S112-Y281 WeakPolarHBondContact CA-O 3.46Å; V113-Y281 HydrophobicContact CB-CD1 4.31Å; V113-Y281 HydrophobicContact CB-CE1 3.93Å; V113-Y281 HydrophobicContact CG2-CE1 3.98Å; V113-Y281 HydrophobicContact CG2-CE2 4.34Å; V113-Y281 PolarHBondContact N-O 2.69Å; V113-Y281 PolarHBondContact O-N 3.18Å; V113-Y281 VanDerWaalsContact O-O 3.06Å; L233-Y281 HydrophobicContact CD2-CE1 4.37Å; L233-Y281 HydrophobicContact CG-CD1 4.38Å; L233-Y281 HydrophobicContact CG-CE1 4.05Å; V236-Y281 HydrophobicContact CB-CD1 4.28Å; V236-Y281 HydrophobicContact CB-CE1 4.31Å; V236-Y281 HydrophobicContact CG1-CD1 3.81Å; V236-Y281 HydrophobicContact CG1-CE1 4.03Å; A237-Y281 HydrophobicContact CB-CE1 4.15Å; A237-Y281 VanDerWaalsContact CB-OH 3.28Å; A237-Y281 WeakPolarHBondContact CB-OH 3.4Å; Y281-Y289 CarbonylContact C-O 3.43Å; Y281-Y289 VanDerWaalsContact CA-O 3.22Å; Y281-Y289 WeakPolarHBondContact CA-O 3.19Å; Y281-Y289 VanDerWaalsContact CB-O 3.3Å; Y281-Y289 WeakPolarHBondContact CB-O 3.42Å; Y281-W290 HydrophobicContact CD1-CE3 4.41Å; Y281-W290 AromaticContact CD1-CZ3 3.8Å; Y281-W290 HydrophobicContact CD1-CZ3 3.8Å; Y281-W290 HydrophobicContact CG-CZ3 4.32Å
282	S	98.1	Very high	96.1	Very high	26 Å²	26	28.9 Å²	28.9	18%	0.182	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	-166	173.6	-169.3	0	0	0	0	108.8	Y289 R310	S282-Y289 WeakPolarHBondContact CB-OH 3.49Å; S282-Y289 PolarHBondContact N-O 3.49Å; S282-Y289 PolarHBondContact O-N 3.21Å; S282-R310 PolarHBondContact O-NH2 3.45Å
283	E	95.2	Very high	96.3	Very high	113 Å²	113	29.2 Å²	29.2	53%	0.528	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	142	170.2	-175.4	176.2	122.5	0	0	109.1	G286 T287	E283-G286 WeakPolarHBondContact OE1-CA 3.37Å; E283-T287 WeakPolarHBondContact CA-O 3.39Å
284	E	87.3	Confident	96.4	Very high	87 Å²	87	28.9 Å²	28.9	41%	0.407	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	123.8	171.1	178.1	170.8	-157.7	0	0	109.1	G286 T287 Y289	E284-G286 PolarHBondContact O-N 3.45Å; E284-G286 VanDerWaalsContact O-N 3.15Å; E284-T287 PolarHBondContact N-O 3.27Å; E284-T287 WeakPolarHBondContact O-CB 3.41Å; E284-T287 PolarHBondContact O-N 2.98Å; E284-Y289 HydrophobicContact CB-CD1 4.36Å; E284-Y289 HydrophobicContact CB-CE1 3.73Å
285	K	85.3	Confident	96.5	Very high	197 Å²	197	29.1 Å²	29.1	86%	0.857	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	36.6	176.8	-59.5	172	-174.5	169.2	0	113.9	T287	K285-T287 VanDerWaalsContact C-N 3.33Å
286	G	86.9	Confident	96.5	Very high	52 Å²	52	29 Å²	29	54%	0.536	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	85	-0.1	-178.3	0	0	0	0	0	114.8	E283 E284 P288	E283-G286 WeakPolarHBondContact OE1-CA 3.37Å; E284-G286 PolarHBondContact O-N 3.45Å; E284-G286 VanDerWaalsContact O-N 3.15Å; G286-P288 VanDerWaalsContact O-CD 3.3Å; G286-P288 WeakPolarHBondContact O-CD 3.39Å
287	T	91.9	Very high	96.5	Very high	34 Å²	34	29.3 Å²	29.3	21%	0.209	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	105.5	175.8	-55.2	0	0	0	0	110	V259 E283 E284 K285 E309	V259-T287 HydrophobicContact CB-CG2 4.45Å; V259-T287 HydrophobicContact CG1-CG2 3.89Å; E283-T287 WeakPolarHBondContact CA-O 3.39Å; E284-T287 PolarHBondContact N-O 3.27Å; E284-T287 WeakPolarHBondContact O-CB 3.41Å; E284-T287 PolarHBondContact O-N 2.98Å; K285-T287 VanDerWaalsContact C-N 3.33Å; T287-E309 HydrophobicContact CG2-CG 4.19Å
288	P	97.6	Very high	96.4	Very high	33 Å²	33	33.1 Å²	33.1	21%	0.214	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	140.2	174	26.5	-33.8	0	0	0	110.8	G286 R310	G286-P288 VanDerWaalsContact O-CD 3.3Å; G286-P288 WeakPolarHBondContact O-CD 3.39Å; P288-R310 HydrophobicContact CB-CB 4.27Å; P288-R310 VanDerWaalsContact CB-CZ 3.46Å; P288-R310 WeakPolarHBondContact CG-O 3.24Å; P288-R310 PolarHBondContact O-N 3.07Å
289	Y	98.7	Very high	96.3	Very high	24 Å²	24	36.5 Å²	36.5	9%	0.094	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	156.4	179.7	64.4	-93.8	0	0	0	113.4	V259 Y281 S282 E284 I291 F307 I308	V259-Y289 HydrophobicContact CG2-CD1 3.76Å; V259-Y289 HydrophobicContact CG2-CE1 4.47Å; V259-Y289 HydrophobicContact CG2-CG 3.97Å; Y281-Y289 CarbonylContact C-O 3.43Å; Y281-Y289 VanDerWaalsContact CA-O 3.22Å; Y281-Y289 WeakPolarHBondContact CA-O 3.19Å; Y281-Y289 VanDerWaalsContact CB-O 3.3Å; Y281-Y289 WeakPolarHBondContact CB-O 3.42Å; S282-Y289 WeakPolarHBondContact CB-OH 3.49Å; S282-Y289 PolarHBondContact N-O 3.49Å; S282-Y289 PolarHBondContact O-N 3.21Å; E284-Y289 HydrophobicContact CB-CD1 4.36Å; E284-Y289 HydrophobicContact CB-CE1 3.73Å; Y289-I291 HydrophobicContact CD2-CG1 4.26Å; Y289-I291 HydrophobicContact CE2-CG1 3.84Å; Y289-F307 HydrophobicContact CD2-CB 3.59Å; Y289-F307 AromaticContact CD2-CD1 3.82Å; Y289-F307 HydrophobicContact CD2-CD1 3.82Å; Y289-F307 AromaticContact CD2-CD2 3.97Å; Y289-F307 HydrophobicContact CD2-CD2 3.97Å; Y289-F307 AromaticContact CD2-CG 3.52Å; Y289-F307 HydrophobicContact CD2-CG 3.52Å; Y289-F307 HydrophobicContact CE2-CB 4.15Å; Y289-F307 AromaticContact CE2-CD1 3.68Å; Y289-F307 HydrophobicContact CE2-CD1 3.68Å; Y289-F307 AromaticContact CE2-CD2 3.64Å; Y289-F307 HydrophobicContact CE2-CD2 3.64Å; Y289-F307 AromaticContact CE2-CE1 3.95Å; Y289-F307 HydrophobicContact CE2-CE1 3.95Å; Y289-F307 AromaticContact CE2-CE2 3.88Å; Y289-F307 HydrophobicContact CE2-CE2 3.88Å; Y289-F307 AromaticContact CE2-CG 3.54Å; Y289-F307 HydrophobicContact CE2-CG 3.54Å; Y289-F307 HydrophobicContact CE2-CZ 4.04Å; Y289-F307 HydrophobicContact CG-CB 4.06Å; Y289-F307 HydrophobicContact CG-CG 4.34Å; Y289-I308 CarbonylContact C-O 3.47Å; Y289-I308 VanDerWaalsContact CA-O 3.23Å; Y289-I308 WeakPolarHBondContact CA-O 3.42Å; Y289-I308 WeakPolarHBondContact CB-O 3.05Å
290	W	98.9	Very high	96.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	143.9	167	-67.5	108.7	0	0	0	110.8	E229 M232 L233 V236 A278 Y281 V292 F307 I308 R310	E229-W290 HydrophobicContact CG-CZ2 3.96Å; E229-W290 PolarHBondContact OE1-NE1 2.89Å; M232-W290 HydrophobicContact CB-CH2 3.91Å; M232-W290 HydrophobicContact CB-CZ2 4.04Å; M232-W290 HydrophobicContact CE-CZ2 4.5Å; L233-W290 HydrophobicContact CB-CH2 3.85Å; L233-W290 HydrophobicContact CB-CZ2 4.39Å; L233-W290 HydrophobicContact CG-CH2 4.48Å; V236-W290 HydrophobicContact CB-CZ3 4.2Å; V236-W290 HydrophobicContact CG1-CZ3 4.46Å; V236-W290 HydrophobicContact CG2-CZ3 3.97Å; A278-W290 HydrophobicContact CB-CE3 4.2Å; Y281-W290 HydrophobicContact CD1-CE3 4.41Å; Y281-W290 AromaticContact CD1-CZ3 3.8Å; Y281-W290 HydrophobicContact CD1-CZ3 3.8Å; Y281-W290 HydrophobicContact CG-CZ3 4.32Å; W290-V292 HydrophobicContact CB-CG2 3.7Å; W290-F307 VanDerWaalsContact O-CA 3.25Å; W290-F307 WeakPolarHBondContact O-CA 3.43Å; W290-I308 HydrophobicContact CB-CG2 3.82Å; W290-I308 HydrophobicContact CG-CG2 4.44Å; W290-I308 PolarHBondContact N-O 3.05Å; W290-I308 PolarHBondContact O-N 2.86Å; W290-R310 HydrophobicContact CD2-CB 4.47Å; W290-R310 HydrophobicContact CD2-CG 4.25Å; W290-R310 VanDerWaalsContact CE2-CD 3.47Å; W290-R310 HydrophobicContact CG-CB 4.2Å; W290-R310 HydrophobicContact CG-CG 4.48Å; W290-R310 HydrophobicContact CZ2-CG 3.89Å
291	I	98.9	Very high	96.3	Very high	7 Å²	7	37 Å²	37	4%	0.036	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	114.1	167.7	-57.7	170.9	0	0	0	107.1	D114 V279 G280 Y289 Y305 F307	D114-I291 HydrophobicContact CB-CD1 4.11Å; V279-I291 HydrophobicContact CG2-CB 4.26Å; V279-I291 HydrophobicContact CG2-CG2 3.65Å; V279-I291 WeakPolarHBondContact CG2-O 3.39Å; V279-I291 PolarHBondContact N-O 3.45Å; G280-I291 PolarHBondContact N-O 3.4Å; G280-I291 PolarHBondContact O-N 3.4Å; Y289-I291 HydrophobicContact CD2-CG1 4.26Å; Y289-I291 HydrophobicContact CE2-CG1 3.84Å; I291-Y305 HydrophobicContact CG2-CD1 4.39Å; I291-F307 HydrophobicContact CB-CD1 4.42Å; I291-F307 HydrophobicContact CB-CE1 4.33Å; I291-F307 HydrophobicContact CG1-CD1 4.11Å; I291-F307 HydrophobicContact CG1-CE1 3.91Å; I291-F307 HydrophobicContact CG2-CD1 4.47Å; I291-F307 HydrophobicContact CG2-CE1 4.05Å
292	V	98.9	Very high	96.3	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.9	-169.4	-170.6	0	0	0	0	110.9	V276 L277 W290 Y305 F306 I308	V276-V292 HydrophobicContact CB-CG1 3.61Å; V276-V292 HydrophobicContact CG1-CG1 4.49Å; V276-V292 HydrophobicContact CG2-CG1 3.4Å; L277-V292 CarbonylContact O-C 3.54Å; L277-V292 WeakPolarHBondContact O-CA 3.4Å; W290-V292 HydrophobicContact CB-CG2 3.7Å; V292-Y305 CarbonylContact O-C 3.39Å; V292-Y305 WeakPolarHBondContact O-CA 3.28Å; V292-Y305 WeakPolarHBondContact O-CB 3.45Å; V292-Y305 WeakPolarHBondContact O-CD1 3.23Å; V292-F306 HydrophobicContact CB-CD1 3.93Å; V292-F306 HydrophobicContact CB-CD2 4.29Å; V292-F306 HydrophobicContact CB-CE1 3.52Å; V292-F306 HydrophobicContact CB-CE2 3.91Å; V292-F306 HydrophobicContact CB-CG 4.31Å; V292-F306 HydrophobicContact CB-CZ 3.53Å; V292-F306 HydrophobicContact CG1-CD1 4.2Å; V292-F306 HydrophobicContact CG1-CE1 3.34Å; V292-F306 HydrophobicContact CG1-CE2 4.21Å; V292-F306 HydrophobicContact CG1-CZ 3.37Å; V292-F306 HydrophobicContact CG2-CE2 4.11Å; V292-F306 HydrophobicContact CG2-CZ 4.08Å; V292-F306 PolarHBondContact N-O 2.84Å; V292-F306 PolarHBondContact O-N 3.22Å; V292-I308 HydrophobicContact CG2-CG2 3.85Å
293	K	98.9	Very high	96.3	Very high	17 Å²	17	47.3 Å²	47.3	7%	0.074	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	125.3	173.4	-172.8	-177.7	175	-179.3	0	109	V122 T123 A124 V125 L277 V279 Y305	V122-K293 HydrophobicContact CG1-CD 3.96Å; T123-K293 PolarHBondContact O-NZ 2.83Å; T123-K293 PolarHBondContact OG1-NZ 2.98Å; A124-K293 WeakPolarHBondContact O-CE 3.38Å; A124-K293 PolarHBondContact O-NZ 2.88Å; V125-K293 HydrophobicContact CG2-CG 4.24Å; L277-K293 HydrophobicContact CB-CB 4.25Å; L277-K293 HydrophobicContact CD2-CD 4.43Å; L277-K293 PolarHBondContact N-O 3.34Å; L277-K293 PolarHBondContact O-N 3.18Å; V279-K293 HydrophobicContact CG1-CB 4.07Å; K293-Y305 HydrophobicContact CB-CD1 3.92Å; K293-Y305 HydrophobicContact CB-CE1 3.47Å; K293-Y305 VanDerWaalsContact CB-CE1 3.47Å; K293-Y305 HydrophobicContact CD-CE1 4.4Å; K293-Y305 HydrophobicContact CG-CD1 4.41Å; K293-Y305 HydrophobicContact CG-CE1 3.75Å
294	N	98.9	Very high	96.5	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.027	23%	0.232	C	C	.	.			trans	-100.3	174.9	175	-157.8	-0.1	0	0	0	111.2	H274 W296 W300 G304 F306	H274-N294 PolarHBondContact NE2-OD1 3.39Å; N294-W296 VanDerWaalsContact ND2-CD2 3.27Å; N294-W296 WeakPolarHBondContact ND2-CZ3 3.32Å; N294-W300 HydrophobicContact CB-CE3 4.06Å; N294-W300 HydrophobicContact CB-CZ3 3.78Å; N294-W300 WeakPolarHBondContact ND2-CH2 3.29Å; N294-W300 WeakPolarHBondContact ND2-CZ3 3.39Å; N294-G304 WeakPolarHBondContact CB-O 3.43Å; N294-G304 PolarHBondContact N-O 3.48Å; N294-F306 HydrophobicContact CB-CD1 4.23Å; N294-F306 HydrophobicContact CB-CE1 4.26Å
295	S	98.8	Very high	97	Very high	5 Å²	5	38.9 Å²	38.9	4%	0.035	22%	0.218	C	C	.	.	S	Bend	trans	-121.7	26.8	-178.5	50.3	0	0	0	0	113.1	K126 N127 Q128	K126-S295 CarbonylContact O-C 3.56Å; N127-S295 CarbonylContact C-O 3.59Å; N127-S295 WeakPolarHBondContact CA-O 3.49Å; Q128-S295 PolarHBondContact N-O 3.4Å; Q128-S295 PolarHBondContact OE1-OG 2.98Å
296	W	98.8	Very high	97.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-104.1	26.3	179.6	-61.5	-18.6	0	0	0	112.9	Q74 F75 F83 L88 V248 F252 H274 N294 W300	Q74-W296 PolarHBondContact NE2-O 2.86Å; F75-W296 HydrophobicContact CE2-CB 4.04Å; F75-W296 AromaticContact CE2-CD2 4Å; F75-W296 HydrophobicContact CE2-CD2 4Å; F75-W296 AromaticContact CE2-CE3 3.83Å; F75-W296 HydrophobicContact CE2-CE3 3.83Å; F75-W296 HydrophobicContact CE2-CG 4.09Å; F75-W296 HydrophobicContact CZ-CB 3.89Å; F75-W296 HydrophobicContact CZ-CD2 4.19Å; F75-W296 HydrophobicContact CZ-CE3 4.48Å; F75-W296 AromaticContact CZ-CG 3.92Å; F75-W296 HydrophobicContact CZ-CG 3.92Å; F83-W296 HydrophobicContact CE1-CH2 4.15Å; F83-W296 HydrophobicContact CE1-CZ2 4.19Å; F83-W296 HydrophobicContact CZ-CD2 4.39Å; F83-W296 AromaticContact CZ-CE2 3.97Å; F83-W296 HydrophobicContact CZ-CE3 4.39Å; F83-W296 AromaticContact CZ-CH2 3.67Å; F83-W296 HydrophobicContact CZ-CH2 3.67Å; F83-W296 AromaticContact CZ-CZ2 3.62Å; F83-W296 HydrophobicContact CZ-CZ2 3.62Å; F83-W296 HydrophobicContact CZ-CZ3 4.05Å; L88-W296 HydrophobicContact CD2-CZ2 4.12Å; V248-W296 HydrophobicContact CG1-CH2 4.08Å; V248-W296 HydrophobicContact CG2-CH2 4.04Å; V248-W296 HydrophobicContact CG2-CZ2 4.41Å; F252-W296 AromaticContact CD1-CH2 3.81Å; F252-W296 HydrophobicContact CD1-CH2 3.81Å; F252-W296 AromaticContact CD1-CZ3 3.85Å; F252-W296 HydrophobicContact CD1-CZ3 3.85Å; F252-W296 AromaticContact CE1-CH2 3.73Å; F252-W296 HydrophobicContact CE1-CH2 3.73Å; F252-W296 AromaticContact CE1-CZ3 3.64Å; F252-W296 HydrophobicContact CE1-CZ3 3.64Å; H274-W296 AromaticContact CD2-CZ2 3.71Å; H274-W296 AromaticContact CE1-CE2 3.53Å; H274-W296 AromaticContact CE1-CZ2 3.46Å; H274-W296 VanDerWaalsContact CE1-CZ2 3.46Å; H274-W296 WeakPolarHBondContact CE1-CZ2 3.06Å; H274-W296 AromaticContact CE1-NE1 3.3Å; H274-W296 PolarHBondContact CE1-NE1 3.4Å; H274-W296 VanDerWaalsContact CE1-NE1 3.3Å; H274-W296 AromaticContact ND1-CZ2 3.9Å; H274-W296 AromaticContact NE2-CE2 3.56Å; H274-W296 AromaticContact NE2-CZ2 3.34Å; H274-W296 VanDerWaalsContact NE2-CZ2 3.34Å; H274-W296 WeakPolarHBondContact NE2-CZ2 3.15Å; H274-W296 AromaticContact NE2-NE1 3.72Å; N294-W296 VanDerWaalsContact ND2-CD2 3.27Å; N294-W296 WeakPolarHBondContact ND2-CZ3 3.32Å; W296-W300 HydrophobicContact CB-CB 4.16Å; W296-W300 HydrophobicContact CB-CG 4.17Å; W296-W300 AromaticContact CE3-CD1 3.81Å; W296-W300 AromaticContact CE3-CD2 3.73Å; W296-W300 HydrophobicContact CE3-CD2 3.73Å; W296-W300 AromaticContact CE3-CE2 3.38Å; W296-W300 HydrophobicContact CE3-CE3 4.41Å; W296-W300 HydrophobicContact CE3-CG 4.01Å; W296-W300 AromaticContact CE3-CZ2 3.8Å; W296-W300 HydrophobicContact CE3-CZ2 3.8Å; W296-W300 AromaticContact CE3-NE1 3.43Å; W296-W300 HydrophobicContact CZ3-CD2 4.37Å; W296-W300 AromaticContact CZ3-CE2 3.59Å; W296-W300 HydrophobicContact CZ3-CH2 4.38Å; W296-W300 AromaticContact CZ3-CZ2 3.57Å; W296-W300 HydrophobicContact CZ3-CZ2 3.57Å; W296-W300 AromaticContact CZ3-NE1 3.68Å
297	G	98.6	Very high	98.2	Very high	9 Å²	9	28.2 Å²	28.2	9%	0.093	16%	0.157	C	C	.	.			trans	76.7	165.6	-176.8	0	0	0	0	0	113.7	K126 S299 W300 G304	K126-G297 WeakPolarHBondContact O-CA 3.22Å; K126-G297 PolarHBondContact O-N 2.88Å; G297-S299 VanDerWaalsContact C-N 3.28Å; G297-S299 PolarHBondContact O-N 3.49Å; G297-W300 PolarHBondContact O-N 3.2Å; G297-G304 WeakPolarHBondContact O-CA 3.49Å
298	S	97.9	Very high	98.6	Very high	83 Å²	83	26.8 Å²	26.8	58%	0.58	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-10.1	-175.6	56.2	0	0	0	0	114.2	W300 K303	S298-W300 VanDerWaalsContact C-N 3.32Å; S298-K303 CarbonylContact O-C 3.04Å; S298-K303 VanDerWaalsContact O-CA 3.26Å; S298-K303 WeakPolarHBondContact O-CA 3.38Å
299	S	96.4	Very high	98.6	Very high	70 Å²	70	26.2 Å²	26.2	49%	0.49	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-16.7	174.9	56.4	0	0	0	0	113.4	Q74 G297	Q74-S299 PolarHBondContact OE1-OG 3.35Å; G297-S299 VanDerWaalsContact C-N 3.28Å; G297-S299 PolarHBondContact O-N 3.49Å
300	W	98.8	Very high	98.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-90.9	139.7	-179.4	179.8	92.3	0	0	0	111.1	N73 F75 F252 M253 Y255 N294 W296 G297 S298 G304 F306	N73-W300 VanDerWaalsContact ND2-CD1 3.31Å; F75-W300 AromaticContact CE2-CD1 3.72Å; F75-W300 HydrophobicContact CE2-CG 4.47Å; F252-W300 HydrophobicContact CD1-CZ2 4.07Å; F252-W300 AromaticContact CE1-CH2 3.54Å; F252-W300 HydrophobicContact CE1-CH2 3.54Å; F252-W300 AromaticContact CE1-CZ2 3.44Å; F252-W300 HydrophobicContact CE1-CZ2 3.44Å; F252-W300 VanDerWaalsContact CE1-CZ2 3.44Å; F252-W300 HydrophobicContact CE2-CH2 4.27Å; F252-W300 AromaticContact CZ-CH2 3.4Å; F252-W300 HydrophobicContact CZ-CH2 3.4Å; F252-W300 VanDerWaalsContact CZ-CH2 3.4Å; F252-W300 AromaticContact CZ-CZ2 3.75Å; F252-W300 HydrophobicContact CZ-CZ2 3.75Å; M253-W300 PolarHBondContact O-NE1 3.45Å; M253-W300 VanDerWaalsContact O-NE1 3.15Å; Y255-W300 AromaticContact CD1-CH2 3.68Å; Y255-W300 HydrophobicContact CD1-CH2 3.68Å; Y255-W300 AromaticContact CD1-CZ2 3.96Å; Y255-W300 HydrophobicContact CD1-CZ2 3.96Å; Y255-W300 HydrophobicContact CD1-CZ3 4.19Å; Y255-W300 HydrophobicContact CE1-CH2 4.47Å; Y255-W300 HydrophobicContact CG-CH2 4.28Å; Y255-W300 HydrophobicContact CG-CZ2 4.3Å; N294-W300 HydrophobicContact CB-CE3 4.06Å; N294-W300 HydrophobicContact CB-CZ3 3.78Å; N294-W300 WeakPolarHBondContact ND2-CH2 3.29Å; N294-W300 WeakPolarHBondContact ND2-CZ3 3.39Å; W296-W300 HydrophobicContact CB-CB 4.16Å; W296-W300 HydrophobicContact CB-CG 4.17Å; W296-W300 AromaticContact CE3-CD1 3.81Å; W296-W300 AromaticContact CE3-CD2 3.73Å; W296-W300 HydrophobicContact CE3-CD2 3.73Å; W296-W300 AromaticContact CE3-CE2 3.38Å; W296-W300 HydrophobicContact CE3-CE3 4.41Å; W296-W300 HydrophobicContact CE3-CG 4.01Å; W296-W300 AromaticContact CE3-CZ2 3.8Å; W296-W300 HydrophobicContact CE3-CZ2 3.8Å; W296-W300 AromaticContact CE3-NE1 3.43Å; W296-W300 HydrophobicContact CZ3-CD2 4.37Å; W296-W300 AromaticContact CZ3-CE2 3.59Å; W296-W300 HydrophobicContact CZ3-CH2 4.38Å; W296-W300 AromaticContact CZ3-CZ2 3.57Å; W296-W300 HydrophobicContact CZ3-CZ2 3.57Å; W296-W300 AromaticContact CZ3-NE1 3.68Å; G297-W300 PolarHBondContact O-N 3.2Å; S298-W300 VanDerWaalsContact C-N 3.32Å; W300-G304 WeakPolarHBondContact O-CA 3.32Å; W300-G304 PolarHBondContact O-N 2.95Å; W300-F306 HydrophobicContact CH2-CB 3.84Å; W300-F306 AromaticContact CH2-CD1 3.84Å; W300-F306 HydrophobicContact CH2-CD1 3.84Å; W300-F306 HydrophobicContact CH2-CG 4.03Å; W300-F306 HydrophobicContact CZ3-CB 3.98Å; W300-F306 AromaticContact CZ3-CD1 3.84Å; W300-F306 HydrophobicContact CZ3-CD1 3.84Å; W300-F306 HydrophobicContact CZ3-CG 4.29Å
301	G	98.7	Very high	98.5	Very high	12 Å²	12	29.8 Å²	29.8	12%	0.124	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	-144.1	177.8	0	0	0	0	0	113.6	Y255 D256 K303	Y255-G301 WeakPolarHBondContact O-CA 3.45Å; D256-G301 CarbonylContact O-C 3.44Å; D256-G301 VanDerWaalsContact O-C 3.27Å; G301-K303 VanDerWaalsContact C-N 3.33Å; G301-K303 PolarHBondContact O-N 2.78Å
302	M	98.6	Very high	98.4	Very high	71 Å²	71	35 Å²	35	35%	0.35	20%	0.196	S	C	.	.	B	Isolated β-bridge	trans	-84.1	74	-178.6	-58.9	178.8	72.2	0	0	110.9	Y255 D256 G304 Y305 F307	Y255-M302 HydrophobicContact CE1-CG 4.19Å; Y255-M302 PolarHBondContact OH-SD 3.47Å; D256-M302 WeakPolarHBondContact O-CG 3.46Å; D256-M302 PolarHBondContact O-N 2.95Å; M302-G304 VanDerWaalsContact C-N 3.3Å; M302-G304 PolarHBondContact O-N 2.82Å; M302-Y305 WeakPolarHBondContact CA-O 3.4Å; M302-Y305 WeakPolarHBondContact CB-O 3.29Å; M302-Y305 PolarHBondContact N-O 3.05Å; M302-Y305 WeakPolarHBondContact O-CB 3.33Å; M302-Y305 PolarHBondContact O-N 2.82Å; M302-F307 HydrophobicContact CE-CD2 4.45Å; M302-F307 HydrophobicContact CE-CE2 3.7Å; M302-F307 HydrophobicContact CE-CZ 3.86Å; M302-F307 HydrophobicContact SD-CD2 3.98Å; M302-F307 HydrophobicContact SD-CE1 4.45Å; M302-F307 HydrophobicContact SD-CE2 3.79Å; M302-F307 HydrophobicContact SD-CG 4.4Å; M302-F307 HydrophobicContact SD-CZ 4.03Å
303	K	98.4	Very high	98.3	Very high	173 Å²	173	36 Å²	36	75%	0.752	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	40.1	-175.5	-59.2	179.6	178.3	179.7	0	112.7	S298 G301	S298-K303 CarbonylContact O-C 3.04Å; S298-K303 VanDerWaalsContact O-CA 3.26Å; S298-K303 WeakPolarHBondContact O-CA 3.38Å; G301-K303 VanDerWaalsContact C-N 3.33Å; G301-K303 PolarHBondContact O-N 2.78Å
304	G	98.8	Very high	98.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	6.8	-176.9	0	0	0	0	0	115.1	N294 G297 W300 M302	N294-G304 WeakPolarHBondContact CB-O 3.43Å; N294-G304 PolarHBondContact N-O 3.48Å; G297-G304 WeakPolarHBondContact O-CA 3.49Å; W300-G304 WeakPolarHBondContact O-CA 3.32Å; W300-G304 PolarHBondContact O-N 2.95Å; M302-G304 VanDerWaalsContact C-N 3.3Å; M302-G304 PolarHBondContact O-N 2.82Å
305	Y	98.9	Very high	98.3	Very high	24 Å²	24	35.6 Å²	35.6	9%	0.094	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	162.4	173.1	-67	-99.6	0	0	0	110.6	V125 V279 I291 V292 K293 M302	V125-Y305 HydrophobicContact CG2-CD2 4.03Å; V125-Y305 HydrophobicContact CG2-CE2 3.51Å; V279-Y305 HydrophobicContact CG2-CD1 4.22Å; V279-Y305 HydrophobicContact CG2-CE1 3.82Å; I291-Y305 HydrophobicContact CG2-CD1 4.39Å; V292-Y305 CarbonylContact O-C 3.39Å; V292-Y305 WeakPolarHBondContact O-CA 3.28Å; V292-Y305 WeakPolarHBondContact O-CB 3.45Å; V292-Y305 WeakPolarHBondContact O-CD1 3.23Å; K293-Y305 HydrophobicContact CB-CD1 3.92Å; K293-Y305 HydrophobicContact CB-CE1 3.47Å; K293-Y305 VanDerWaalsContact CB-CE1 3.47Å; K293-Y305 HydrophobicContact CD-CE1 4.4Å; K293-Y305 HydrophobicContact CG-CD1 4.41Å; K293-Y305 HydrophobicContact CG-CE1 3.75Å; M302-Y305 WeakPolarHBondContact CA-O 3.4Å; M302-Y305 WeakPolarHBondContact CB-O 3.29Å; M302-Y305 PolarHBondContact N-O 3.05Å; M302-Y305 WeakPolarHBondContact O-CB 3.33Å; M302-Y305 PolarHBondContact O-N 2.82Å
306	F	98.9	Very high	98.1	Very high	1 Å²	1	35.4 Å²	35.4	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	161	168.6	66	-80.7	0	0	0	110.6	Y246 F252 Y255 V276 V292 N294 W300 I308	Y246-F306 HydrophobicContact CE1-CZ 4.04Å; Y246-F306 AromaticContact CZ-CZ 3.86Å; F252-F306 AromaticContact CE2-CD2 3.58Å; F252-F306 HydrophobicContact CE2-CD2 3.58Å; F252-F306 AromaticContact CE2-CE2 3.7Å; F252-F306 HydrophobicContact CE2-CE2 3.7Å; F252-F306 HydrophobicContact CE2-CG 4.02Å; F252-F306 HydrophobicContact CE2-CZ 4.23Å; F252-F306 HydrophobicContact CZ-CB 4.47Å; F252-F306 AromaticContact CZ-CD1 3.86Å; F252-F306 HydrophobicContact CZ-CD1 3.86Å; F252-F306 AromaticContact CZ-CD2 3.69Å; F252-F306 HydrophobicContact CZ-CD2 3.69Å; F252-F306 AromaticContact CZ-CE1 3.85Å; F252-F306 HydrophobicContact CZ-CE1 3.85Å; F252-F306 AromaticContact CZ-CE2 3.67Å; F252-F306 HydrophobicContact CZ-CE2 3.67Å; F252-F306 AromaticContact CZ-CG 3.76Å; F252-F306 HydrophobicContact CZ-CG 3.76Å; F252-F306 AromaticContact CZ-CZ 3.73Å; F252-F306 HydrophobicContact CZ-CZ 3.73Å; Y255-F306 HydrophobicContact CD1-CB 3.69Å; Y255-F306 HydrophobicContact CE1-CB 3.26Å; Y255-F306 HydrophobicContact CE2-CB 4.22Å; Y255-F306 HydrophobicContact CG-CB 4.36Å; Y255-F306 WeakPolarHBondContact OH-CA 3.26Å; V276-F306 HydrophobicContact CG1-CE1 4.25Å; V276-F306 HydrophobicContact CG2-CZ 4.22Å; V292-F306 HydrophobicContact CB-CD1 3.93Å; V292-F306 HydrophobicContact CB-CD2 4.29Å; V292-F306 HydrophobicContact CB-CE1 3.52Å; V292-F306 HydrophobicContact CB-CE2 3.91Å; V292-F306 HydrophobicContact CB-CG 4.31Å; V292-F306 HydrophobicContact CB-CZ 3.53Å; V292-F306 HydrophobicContact CG1-CD1 4.2Å; V292-F306 HydrophobicContact CG1-CE1 3.34Å; V292-F306 HydrophobicContact CG1-CE2 4.21Å; V292-F306 HydrophobicContact CG1-CZ 3.37Å; V292-F306 HydrophobicContact CG2-CE2 4.11Å; V292-F306 HydrophobicContact CG2-CZ 4.08Å; V292-F306 PolarHBondContact N-O 2.84Å; V292-F306 PolarHBondContact O-N 3.22Å; N294-F306 HydrophobicContact CB-CD1 4.23Å; N294-F306 HydrophobicContact CB-CE1 4.26Å; W300-F306 HydrophobicContact CH2-CB 3.84Å; W300-F306 AromaticContact CH2-CD1 3.84Å; W300-F306 HydrophobicContact CH2-CD1 3.84Å; W300-F306 HydrophobicContact CH2-CG 4.03Å; W300-F306 HydrophobicContact CZ3-CB 3.98Å; W300-F306 AromaticContact CZ3-CD1 3.84Å; W300-F306 HydrophobicContact CZ3-CD1 3.84Å; W300-F306 HydrophobicContact CZ3-CG 4.29Å; F306-I308 HydrophobicContact CD2-CB 4.06Å; F306-I308 HydrophobicContact CD2-CG2 4.32Å; F306-I308 HydrophobicContact CE2-CB 3.84Å; F306-I308 HydrophobicContact CE2-CD1 4.37Å; F306-I308 HydrophobicContact CE2-CG2 3.81Å
307	F	98.8	Very high	98	Very high	24 Å²	24	35.4 Å²	35.4	11%	0.105	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	141.1	166.4	-51.8	-29.8	0	0	0	109.7	Y255 G258 V259 Y260 Y289 W290 I291 M302	Y255-F307 PolarHBondContact OH-N 3.2Å; Y255-F307 VanDerWaalsContact OH-N 3.16Å; G258-F307 WeakPolarHBondContact O-CB 3.22Å; V259-F307 HydrophobicContact CG2-CB 4.29Å; Y260-F307 WeakPolarHBondContact CB-O 3.28Å; Y260-F307 PolarHBondContact N-O 3.19Å; Y289-F307 HydrophobicContact CD2-CB 3.59Å; Y289-F307 AromaticContact CD2-CD1 3.82Å; Y289-F307 HydrophobicContact CD2-CD1 3.82Å; Y289-F307 AromaticContact CD2-CD2 3.97Å; Y289-F307 HydrophobicContact CD2-CD2 3.97Å; Y289-F307 AromaticContact CD2-CG 3.52Å; Y289-F307 HydrophobicContact CD2-CG 3.52Å; Y289-F307 HydrophobicContact CE2-CB 4.15Å; Y289-F307 AromaticContact CE2-CD1 3.68Å; Y289-F307 HydrophobicContact CE2-CD1 3.68Å; Y289-F307 AromaticContact CE2-CD2 3.64Å; Y289-F307 HydrophobicContact CE2-CD2 3.64Å; Y289-F307 AromaticContact CE2-CE1 3.95Å; Y289-F307 HydrophobicContact CE2-CE1 3.95Å; Y289-F307 AromaticContact CE2-CE2 3.88Å; Y289-F307 HydrophobicContact CE2-CE2 3.88Å; Y289-F307 AromaticContact CE2-CG 3.54Å; Y289-F307 HydrophobicContact CE2-CG 3.54Å; Y289-F307 HydrophobicContact CE2-CZ 4.04Å; Y289-F307 HydrophobicContact CG-CB 4.06Å; Y289-F307 HydrophobicContact CG-CG 4.34Å; W290-F307 VanDerWaalsContact O-CA 3.25Å; W290-F307 WeakPolarHBondContact O-CA 3.43Å; I291-F307 HydrophobicContact CB-CD1 4.42Å; I291-F307 HydrophobicContact CB-CE1 4.33Å; I291-F307 HydrophobicContact CG1-CD1 4.11Å; I291-F307 HydrophobicContact CG1-CE1 3.91Å; I291-F307 HydrophobicContact CG2-CD1 4.47Å; I291-F307 HydrophobicContact CG2-CE1 4.05Å; M302-F307 HydrophobicContact CE-CD2 4.45Å; M302-F307 HydrophobicContact CE-CE2 3.7Å; M302-F307 HydrophobicContact CE-CZ 3.86Å; M302-F307 HydrophobicContact SD-CD2 3.98Å; M302-F307 HydrophobicContact SD-CE1 4.45Å; M302-F307 HydrophobicContact SD-CE2 3.79Å; M302-F307 HydrophobicContact SD-CG 4.4Å; M302-F307 HydrophobicContact SD-CZ 4.03Å
308	I	98.8	Very high	97.9	Very high	3 Å²	3	35 Å²	35	2%	0.015	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	138.9	177.5	-176	166.5	0	0	0	109	Y246 Y260 Y289 W290 V292 F306 R310 M314 L317	Y246-I308 HydrophobicContact CD2-CD1 4.42Å; Y260-I308 HydrophobicContact CD1-CD1 3.93Å; Y260-I308 HydrophobicContact CD1-CG1 4.04Å; Y289-I308 CarbonylContact C-O 3.47Å; Y289-I308 VanDerWaalsContact CA-O 3.23Å; Y289-I308 WeakPolarHBondContact CA-O 3.42Å; Y289-I308 WeakPolarHBondContact CB-O 3.05Å; W290-I308 HydrophobicContact CB-CG2 3.82Å; W290-I308 HydrophobicContact CG-CG2 4.44Å; W290-I308 PolarHBondContact N-O 3.05Å; W290-I308 PolarHBondContact O-N 2.86Å; V292-I308 HydrophobicContact CG2-CG2 3.85Å; F306-I308 HydrophobicContact CD2-CB 4.06Å; F306-I308 HydrophobicContact CD2-CG2 4.32Å; F306-I308 HydrophobicContact CE2-CB 3.84Å; F306-I308 HydrophobicContact CE2-CD1 4.37Å; F306-I308 HydrophobicContact CE2-CG2 3.81Å; I308-R310 PolarHBondContact O-N 3.49Å; I308-M314 HydrophobicContact CD1-CB 4.23Å; I308-M314 HydrophobicContact CD1-CG 3.85Å; I308-M314 HydrophobicContact CG1-CB 4.06Å; I308-M314 HydrophobicContact CG1-CG 3.71Å; I308-L317 HydrophobicContact CD1-CD2 4.04Å; I308-L317 HydrophobicContact CG1-CD2 4.2Å; I308-L317 HydrophobicContact CG2-CD2 4.15Å
309	E	98.5	Very high	97.7	Very high	22 Å²	22	31.2 Å²	31.2	10%	0.103	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	132.5	-176.3	-174.1	176	-149.1	0	0	111.6	V259 Y260 T261 T287 K312 M314	V259-E309 HydrophobicContact CG1-CB 4.03Å; Y260-E309 PolarHBondContact O-N 2.87Å; T261-E309 HydrophobicContact CG2-CB 3.68Å; T261-E309 HydrophobicContact CG2-CG 4.33Å; T261-E309 VanDerWaalsContact CG2-OE2 3.31Å; T261-E309 WeakPolarHBondContact CG2-OE2 3.42Å; T287-E309 HydrophobicContact CG2-CG 4.19Å; E309-K312 VanDerWaalsContact CD-CE 3.45Å; E309-K312 HydrophobicContact CG-CD 4.44Å; E309-K312 WeakPolarHBondContact OE1-CE 3.43Å; E309-K312 IonicContact OE1-NZ 3.35Å; E309-K312 PolarHBondContact OE1-NZ 3.25Å; E309-K312 VanDerWaalsContact OE2-CD 3.29Å; E309-K312 WeakPolarHBondContact OE2-CD 3.27Å; E309-K312 WeakPolarHBondContact OE2-CE 3.38Å; E309-K312 IonicContact OE2-NZ 3.48Å; E309-K312 PolarHBondContact OE2-NZ 3.43Å; E309-M314 HydrophobicContact CB-CE 4.35Å; E309-M314 WeakPolarHBondContact O-CB 3.29Å; E309-M314 WeakPolarHBondContact OE2-CE 3.5Å
310	R	98.1	Very high	97.4	Very high	38 Å²	38	28.9 Å²	28.9	14%	0.143	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	146.6	-176.6	173.3	171.6	62.3	74.3	-2.1	110.6	E229 L233 S282 P288 W290 I308	E229-R310 WeakPolarHBondContact OE1-CA 3.33Å; L233-R310 VanDerWaalsContact CD1-NH1 3.35Å; S282-R310 PolarHBondContact O-NH2 3.45Å; P288-R310 HydrophobicContact CB-CB 4.27Å; P288-R310 VanDerWaalsContact CB-CZ 3.46Å; P288-R310 WeakPolarHBondContact CG-O 3.24Å; P288-R310 PolarHBondContact O-N 3.07Å; W290-R310 HydrophobicContact CD2-CB 4.47Å; W290-R310 HydrophobicContact CD2-CG 4.25Å; W290-R310 VanDerWaalsContact CE2-CD 3.47Å; W290-R310 HydrophobicContact CG-CB 4.2Å; W290-R310 HydrophobicContact CG-CG 4.48Å; W290-R310 HydrophobicContact CZ2-CG 3.89Å; I308-R310 PolarHBondContact O-N 3.49Å
311	G	97.1	Very high	97.3	Very high	60 Å²	60	29.1 Å²	29.1	62%	0.619	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.4	11.6	176.4	0	0	0	0	0	114.2	E229	E229-G311 PolarHBondContact OE1-N 2.69Å; E229-G311 VanDerWaalsContact OE2-CA 3.27Å; E229-G311 WeakPolarHBondContact OE2-CA 3.42Å; E229-G311 PolarHBondContact OE2-N 2.96Å
312	K	97.1	Very high	97.2	Very high	117 Å²	117	28.7 Å²	28.7	51%	0.509	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.7	3.9	179.7	-65.4	-163.6	-171.8	159.7	0	113.8	E229 E309 M314	E229-K312 PolarHBondContact OE2-N 2.85Å; E229-K312 VanDerWaalsContact OE2-N 3.12Å; E309-K312 VanDerWaalsContact CD-CE 3.45Å; E309-K312 HydrophobicContact CG-CD 4.44Å; E309-K312 WeakPolarHBondContact OE1-CE 3.43Å; E309-K312 IonicContact OE1-NZ 3.35Å; E309-K312 PolarHBondContact OE1-NZ 3.25Å; E309-K312 VanDerWaalsContact OE2-CD 3.29Å; E309-K312 WeakPolarHBondContact OE2-CD 3.27Å; E309-K312 WeakPolarHBondContact OE2-CE 3.38Å; E309-K312 IonicContact OE2-NZ 3.48Å; E309-K312 PolarHBondContact OE2-NZ 3.43Å; K312-M314 HydrophobicContact CD-CE 4.47Å; K312-M314 PolarHBondContact O-N 2.85Å
313	N	97.4	Very high	97.2	Very high	22 Å²	22	25.8 Å²	25.8	12%	0.118	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	41.7	-166.9	-177.7	36.5	0	0	0	111	Y227 E229 N267 C315 G316 L317 A318	Y227-N313 WeakPolarHBondContact CD1-ND2 3.32Å; E229-N313 PolarHBondContact OE2-N 2.95Å; N267-N313 PolarHBondContact O-ND2 3.23Å; N267-N313 VanDerWaalsContact O-ND2 3.07Å; N267-N313 PolarHBondContact OD1-O 2.81Å; N313-C315 PolarHBondContact O-N 2.75Å; N313-G316 PolarHBondContact O-N 3.13Å; N313-G316 WeakPolarHBondContact OD1-CA 3.2Å; N313-L317 PolarHBondContact OD1-N 2.91Å; N313-A318 HydrophobicContact CB-CB 4.4Å; N313-A318 WeakPolarHBondContact OD1-CA 3.39Å; N313-A318 WeakPolarHBondContact OD1-CB 2.99Å; N313-A318 PolarHBondContact OD1-N 3.48Å
314	M	98.3	Very high	97.2	Very high	14 Å²	14	17.5 Å²	17.5	7%	0.069	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-54.2	125.2	-173.3	-178.3	58.6	66.3	0	0	110.1	T261 S262 I308 E309 K312 G316 L317	T261-M314 HydrophobicContact CG2-CE 4.2Å; S262-M314 PolarHBondContact N-SD 3.43Å; S262-M314 VanDerWaalsContact N-SD 3.38Å; I308-M314 HydrophobicContact CD1-CB 4.23Å; I308-M314 HydrophobicContact CD1-CG 3.85Å; I308-M314 HydrophobicContact CG1-CB 4.06Å; I308-M314 HydrophobicContact CG1-CG 3.71Å; E309-M314 HydrophobicContact CB-CE 4.35Å; E309-M314 WeakPolarHBondContact O-CB 3.29Å; E309-M314 WeakPolarHBondContact OE2-CE 3.5Å; K312-M314 HydrophobicContact CD-CE 4.47Å; K312-M314 PolarHBondContact O-N 2.85Å; M314-G316 PolarHBondContact O-N 3.26Å; M314-G316 VanDerWaalsContact O-N 3.11Å; M314-L317 HydrophobicContact CB-CD2 4.01Å; M314-L317 WeakPolarHBondContact O-CB 3.5Å; M314-L317 WeakPolarHBondContact O-CD2 3.47Å; M314-L317 VanDerWaalsContact O-CG 3.32Å; M314-L317 WeakPolarHBondContact O-CG 3.24Å; M314-L317 PolarHBondContact O-N 3.36Å; M314-L317 VanDerWaalsContact O-N 3.16Å
315	C	97.7	Very high	97.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	54.7	27.5	-177.3	-50.7	0	0	0	0	114.4	Y246 E247 C265 H266 N267 N313 L317	Y246-C315 CarbonylContact C-O 3.41Å; Y246-C315 VanDerWaalsContact CA-O 3.26Å; Y246-C315 WeakPolarHBondContact CA-O 3.47Å; Y246-C315 VanDerWaalsContact CB-O 3.31Å; Y246-C315 WeakPolarHBondContact CB-O 3.23Å; Y246-C315 HydrophobicContact CD2-CB 4Å; E247-C315 HydrophobicContact CB-CB 4.42Å; E247-C315 PolarHBondContact N-O 3.33Å; E247-C315 WeakPolarHBondContact O-CB 3.45Å; C265-C315 HydrophobicContact CB-CB 3.58Å; C265-C315 WeakPolarHBondContact CB-SG 3.22Å; C265-C315 WeakPolarHBondContact SG-CA 3.47Å; C265-C315 WeakPolarHBondContact SG-CB 3.49Å; C265-C315 PolarHBondContact SG-N 3.37Å; C265-C315 VanDerWaalsContact SG-N 3.43Å; C265-C315 CovalentContact SG-SG 2.04Å; C265-C315 PolarHBondContact SG-SG 3.36Å; H266-C315 CarbonylContact O-C 3.45Å; H266-C315 VanDerWaalsContact O-CA 3.23Å; H266-C315 WeakPolarHBondContact O-CA 3.37Å; N267-C315 PolarHBondContact OD1-N 3.4Å; N267-C315 VanDerWaalsContact OD1-N 3.08Å; N313-C315 PolarHBondContact O-N 2.75Å; C315-L317 VanDerWaalsContact C-N 3.33Å; C315-L317 PolarHBondContact O-N 3.02Å
316	G	96	Very high	96.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	76	16.2	177.8	0	0	0	0	0	114.5	H266 N313 M314 A318 G319	H266-G316 PolarHBondContact O-N 2.85Å; N313-G316 PolarHBondContact O-N 3.13Å; N313-G316 WeakPolarHBondContact OD1-CA 3.2Å; M314-G316 PolarHBondContact O-N 3.26Å; M314-G316 VanDerWaalsContact O-N 3.11Å; G316-A318 PolarHBondContact O-N 2.97Å; G316-G319 WeakPolarHBondContact O-CA 3.16Å; G316-G319 PolarHBondContact O-N 2.94Å
317	L	97.2	Very high	95.9	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-23.2	-174.2	67.7	80.8	0	0	0	115.1	E229 M232 L244 A245 I308 N313 M314 C315	E229-L317 HydrophobicContact CG-CD1 4.05Å; M232-L317 HydrophobicContact CE-CD1 3.86Å; M232-L317 HydrophobicContact SD-CD1 4.23Å; L244-L317 HydrophobicContact CD1-CB 4.11Å; A245-L317 WeakPolarHBondContact O-CA 3.38Å; I308-L317 HydrophobicContact CD1-CD2 4.04Å; I308-L317 HydrophobicContact CG1-CD2 4.2Å; I308-L317 HydrophobicContact CG2-CD2 4.15Å; N313-L317 PolarHBondContact OD1-N 2.91Å; M314-L317 HydrophobicContact CB-CD2 4.01Å; M314-L317 WeakPolarHBondContact O-CB 3.5Å; M314-L317 WeakPolarHBondContact O-CD2 3.47Å; M314-L317 VanDerWaalsContact O-CG 3.32Å; M314-L317 WeakPolarHBondContact O-CG 3.24Å; M314-L317 PolarHBondContact O-N 3.36Å; M314-L317 VanDerWaalsContact O-N 3.16Å; C315-L317 VanDerWaalsContact C-N 3.33Å; C315-L317 PolarHBondContact O-N 3.02Å
318	A	96.2	Very high	94.4	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	6.3	177.6	0	0	0	0	0	112.7	Y227 E229 M232 N313 G316	Y227-A318 VanDerWaalsContact CA-O 3.29Å; Y227-A318 WeakPolarHBondContact CA-O 3.4Å; Y227-A318 PolarHBondContact N-O 3.35Å; E229-A318 HydrophobicContact CB-CB 3.73Å; E229-A318 HydrophobicContact CG-CB 4.24Å; M232-A318 HydrophobicContact SD-CB 3.79Å; N313-A318 HydrophobicContact CB-CB 4.4Å; N313-A318 WeakPolarHBondContact OD1-CA 3.39Å; N313-A318 WeakPolarHBondContact OD1-CB 2.99Å; N313-A318 PolarHBondContact OD1-N 3.48Å; G316-A318 PolarHBondContact O-N 2.97Å
319	G	92.4	Very high	94.2	Very high	4 Å²	4	33.5 Å²	33.5	4%	0.041	19%	0.189	C	C	.	.	S	Bend	trans	-70.2	-38.4	-179.4	0	0	0	0	0	113.5	G316	G316-G319 WeakPolarHBondContact O-CA 3.16Å; G316-G319 PolarHBondContact O-N 2.94Å
320	C	90.4	Very high	94	Very high	20 Å²	20	34.1 Å²	34.1	14%	0.135	19%	0.193	C	C	.	.	S	Bend	trans	-148.4	78.6	-169.7	-20.8	0	0	0	0	110.7	C95 A245	C95-C320 HydrophobicContact CB-CB 3.59Å; C95-C320 WeakPolarHBondContact CB-SG 3.2Å; C95-C320 WeakPolarHBondContact SG-CB 3.11Å; C95-C320 CovalentContact SG-SG 2.02Å; C95-C320 PolarHBondContact SG-SG 3.02Å; A245-C320 PolarHBondContact N-O 2.93Å
321	S	96.4	Very high	93.8	Very high	5 Å²	5	33.8 Å²	33.8	4%	0.035	20%	0.196	C	C	.	.			trans	-118.3	143.4	179.7	55.1	0	0	0	0	112.6	I224 M232 S243	I224-S321 WeakPolarHBondContact CB-OG 3.37Å; I224-S321 PolarHBondContact N-O 3.36Å; M232-S321 VanDerWaalsContact CG-OG 3.23Å; M232-S321 WeakPolarHBondContact CG-OG 3.46Å; M232-S321 PolarHBondContact SD-OG 3.15Å; M232-S321 VanDerWaalsContact SD-OG 3.41Å; S243-S321 CarbonylContact O-C 3.53Å; S243-S321 WeakPolarHBondContact O-CA 3.42Å; S243-S321 WeakPolarHBondContact O-CB 3.11Å
322	S	97.7	Very high	93.6	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	162.1	-175.6	59.9	0	0	0	0	112.1	S180 V222 S243	S180-S322 PolarHBondContact N-OG 2.99Å; V222-S322 CarbonylContact O-C 3.51Å; V222-S322 WeakPolarHBondContact O-CA 2.75Å; V222-S322 WeakPolarHBondContact O-CB 3.23Å; S243-S322 WeakPolarHBondContact CB-O 3.47Å; S243-S322 PolarHBondContact N-O 2.97Å; S243-S322 PolarHBondContact O-N 2.6Å
323	Y	98.4	Very high	93.3	Very high	10 Å²	10	27 Å²	27	4%	0.039	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	152.2	170.7	62.3	-86.6	0	0	0	110.5	H102 V222 I224 A235 N240 V242 L325	H102-Y323 AromaticContact ND1-CE1 3.86Å; H102-Y323 AromaticContact ND1-CZ 3.97Å; H102-Y323 PolarHBondContact ND1-OH 3.28Å; H102-Y323 VanDerWaalsContact ND1-OH 3.15Å; V222-Y323 HydrophobicContact CB-CD1 4.15Å; V222-Y323 HydrophobicContact CB-CD2 4.18Å; V222-Y323 HydrophobicContact CB-CE1 3.76Å; V222-Y323 HydrophobicContact CB-CE2 3.81Å; V222-Y323 HydrophobicContact CB-CG 4.36Å; V222-Y323 HydrophobicContact CG1-CD1 4.36Å; V222-Y323 HydrophobicContact CG1-CE1 3.58Å; V222-Y323 HydrophobicContact CG1-CE2 4.28Å; V222-Y323 HydrophobicContact CG2-CD2 4.38Å; V222-Y323 HydrophobicContact CG2-CE2 3.79Å; V222-Y323 PolarHBondContact N-O 3.22Å; V222-Y323 PolarHBondContact O-N 2.8Å; I224-Y323 HydrophobicContact CD1-CD1 4.36Å; I224-Y323 HydrophobicContact CD1-CE1 4.34Å; I224-Y323 HydrophobicContact CG1-CE1 4.32Å; A235-Y323 HydrophobicContact CB-CD1 4.22Å; A235-Y323 HydrophobicContact CB-CE1 3.74Å; N240-Y323 WeakPolarHBondContact OD1-CB 3.45Å; V242-Y323 HydrophobicContact CG2-CD1 4.21Å; Y323-L325 HydrophobicContact CD2-CD2 4.46Å; Y323-L325 HydrophobicContact CE2-CD2 3.98Å
324	P	98.1	Very high	93.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	158.3	176.7	34.7	-31.4	0	0	0	111.5	C142 L143 V146 F183 V218 D220	C142-P324 WeakPolarHBondContact SG-CD 3.23Å; L143-P324 HydrophobicContact CB-CG 4.25Å; L143-P324 HydrophobicContact CD1-CB 4.34Å; L143-P324 HydrophobicContact CD1-CG 3.9Å; V146-P324 HydrophobicContact CB-CG 4.46Å; V146-P324 HydrophobicContact CG2-CG 4.16Å; F183-P324 HydrophobicContact CD1-CB 3.85Å; F183-P324 HydrophobicContact CD1-CG 3.84Å; F183-P324 HydrophobicContact CE1-CB 4.18Å; F183-P324 HydrophobicContact CE1-CG 3.65Å; F183-P324 HydrophobicContact CG-CB 4.07Å; F183-P324 HydrophobicContact CG-CG 4.4Å; F183-P324 HydrophobicContact CZ-CG 4.07Å; V218-P324 HydrophobicContact CB-CB 4.49Å; V218-P324 HydrophobicContact CG1-CB 3.91Å; V218-P324 HydrophobicContact CG2-CB 3.85Å; D220-P324 WeakPolarHBondContact O-CA 3.15Å
325	L	96.1	Very high	92.7	Very high	65 Å²	65	28.3 Å²	28.3	34%	0.34	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	134.5	161.6	-60.7	-177.2	0	0	0	109.3	K219 D220 V222 Y323	K219-L325 WeakPolarHBondContact CB-O 3.41Å; K219-L325 PolarHBondContact N-O 3.39Å; D220-L325 HydrophobicContact CB-CB 4.42Å; D220-L325 HydrophobicContact CB-CD1 4.22Å; D220-L325 PolarHBondContact O-N 3.35Å; V222-L325 HydrophobicContact CG2-CD1 4.17Å; V222-L325 HydrophobicContact CG2-CD2 4.17Å; V222-L325 HydrophobicContact CG2-CG 3.96Å; Y323-L325 HydrophobicContact CD2-CD2 4.46Å; Y323-L325 HydrophobicContact CE2-CD2 3.98Å
326	P	87.9	Confident	92.3	Very high	23 Å²	23	30.5 Å²	30.5	15%	0.149	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	155.4	-179.6	28.4	-26.5	0	0	0	110.9	V146 A150 K219 L328	V146-P326 HydrophobicContact CG1-CB 3.86Å; V146-P326 VanDerWaalsContact CG1-CD 3.41Å; V146-P326 HydrophobicContact CG1-CG 3.66Å; A150-P326 HydrophobicContact CB-CB 4.26Å; A150-P326 HydrophobicContact CB-CG 3.75Å; K219-P326 WeakPolarHBondContact CB-O 3.23Å; P326-L328 HydrophobicContact CG-CD2 4.32Å; P326-L328 PolarHBondContact O-N 3.45Å
327	V	85.8	Confident	92	Very high	77 Å²	77	33 Å²	33	47%	0.467	19%	0.185	S	C	.	.			trans	-74.6	114.4	158.4	-177.3	0	0	0	0	106.5	F217 K219	F217-V327 HydrophobicContact CB-CB 4.09Å; F217-V327 HydrophobicContact CB-CG2 3.59Å; K219-V327 HydrophobicContact CB-CG2 3.93Å
328	L	67.4	Low	91.5	Very high	188 Å²	188	35.9 Å²	35.9	98%	0.984	20%	0.201	S	C	*	.			trans	-74.2	0	177.5	-66.5	177.1	0	0	0	111.7	A150 P326	A150-L328 HydrophobicContact CB-CD2 4.14Å; P326-L328 HydrophobicContact CG-CD2 4.32Å; P326-L328 PolarHBondContact O-N 3.45Å

Retrieved 328 of 328 residues in 400.5 ms (Link to these results)

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