G4VFC2_SCHMA Loading...

Protein disulfide-isomerase

AlphaFold DB , UniProt , Accession G4VFC2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 484 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	43.2	Very low	44.2	Very low	233 Å²	233	162.2 Å²	162.2	100%	1.148	82%	0.815	S	S	*	*				0	120.4	0	-99.4	159	90	0	0	108.1
2	R	40.4	Very low	43.9	Very low	203 Å²	203	156.8 Å²	156.8	77%	0.766	82%	0.815	S	S	*	*			trans	59.8	119.6	139	-87.7	-175.7	146.4	-164.1	-3.9	117.8
3	W	45.2	Very low	43.6	Very low	198 Å²	198	160.4 Å²	160.4	75%	0.75	82%	0.821	S	S	*	*			cis	-158.2	148.6	20.8	-86.8	76.9	0	0	0	111.6
4	L	41.5	Very low	43	Very low	154 Å²	154	156.1 Å²	156.1	81%	0.806	82%	0.821	S	S	*	*			trans	-70.4	147.7	159.6	-76	122.7	0	0	0	111.6
5	L	46	Very low	42.8	Very low	156 Å²	156	153.7 Å²	153.7	82%	0.817	82%	0.822	S	S	*	*			trans	-149.2	107.9	147.8	-120.1	109.1	0	0	0	110.1
6	S	40.9	Very low	43.4	Very low	107 Å²	107	151.6 Å²	151.6	75%	0.748	82%	0.822	S	S	*	*			trans	-83.2	129.9	167.7	-73.6	0	0	0	0	109.7
7	C	47.1	Very low	45	Very low	108 Å²	108	146.3 Å²	146.3	73%	0.73	80%	0.799	S	S	*	*			trans	-106.9	115.9	163	-82.8	0	0	0	0	109.2
8	L	44.9	Very low	47.4	Very low	163 Å²	163	145 Å²	145	85%	0.853	78%	0.784	S	S	*	*			trans	-74.1	121.7	167.2	-121.5	85.1	0	0	0	108.8
9	F	48.7	Very low	50	Low	187 Å²	187	137.9 Å²	137.9	82%	0.82	75%	0.746	S	S	*	*			trans	-92.7	120.2	166.2	-100.5	-91.1	0	0	0	109.5
10	L	43.3	Very low	52.3	Low	166 Å²	166	134.3 Å²	134.3	87%	0.869	73%	0.726	S	S	*	*			trans	-96.2	113.4	165	-105	145.1	0	0	0	107.8
11	V	45.2	Very low	54.4	Low	109 Å²	109	132.8 Å²	132.8	66%	0.661	71%	0.714	S	S	*	*			trans	-95.4	115.1	173.9	177.7	0	0	0	0	108.5	F13	V11-F13 HydrophobicContact CG1-CD2 4.43Å; V11-F13 HydrophobicContact CG1-CE2 4.47Å
12	A	40.1	Very low	57	Low	98 Å²	98	122 Å²	122	81%	0.81	66%	0.661	S	S	*	*			trans	-87.3	118.1	169.1	0	0	0	0	0	109.7	A14	A12-A14 PolarHBondContact O-N 3.11Å
13	F	40.3	Very low	59.7	Low	203 Å²	203	114.3 Å²	114.3	89%	0.89	64%	0.637	S	S	*	*			trans	-78.4	105.8	170.8	-91.8	-94.4	0	0	0	109.9	V11	V11-F13 HydrophobicContact CG1-CD2 4.43Å; V11-F13 HydrophobicContact CG1-CE2 4.47Å
14	A	35.9	Very low	62.1	Low	100 Å²	100	111.5 Å²	111.5	83%	0.826	63%	0.63	S	S	*	*			trans	-86.9	107.2	166.2	0	0	0	0	0	109.5	A12 C16	A12-A14 PolarHBondContact O-N 3.11Å; A14-C16 PolarHBondContact O-N 3.01Å
15	S	39.5	Very low	64.6	Low	120 Å²	120	111.2 Å²	111.2	84%	0.839	63%	0.629	S	S	*	*			trans	-74.7	110.3	171.3	68.6	0	0	0	0	109.8	S17	S15-S17 PolarHBondContact O-N 3.21Å; S15-S17 VanDerWaalsContact O-N 3.16Å
16	C	52	Low	67	Low	120 Å²	120	106 Å²	106	81%	0.811	60%	0.602	S	S	*	*			trans	-70.9	106.1	175.2	-169.2	0	0	0	0	109.7	A14 K18	A14-C16 PolarHBondContact O-N 3.01Å; C16-K18 PolarHBondContact O-N 2.95Å
17	S	70.3	Confident	69.7	Low	62 Å²	62	101 Å²	101	43%	0.434	57%	0.567	S	S	.	*			trans	-57.4	130.1	172.8	165.3	0	0	0	0	110.2	S15 V19	S15-S17 PolarHBondContact O-N 3.21Å; S15-S17 VanDerWaalsContact O-N 3.16Å; S17-V19 PolarHBondContact O-N 3.24Å; S17-V19 PolarHBondContact OG-N 3.38Å; S17-V19 PolarHBondContact OG-O 3.04Å
18	K	88.9	Confident	72.1	Confident	123 Å²	123	99.8 Å²	99.8	54%	0.535	55%	0.551	S	S	.	*	S	Bend	trans	-75	-6.7	174.9	-68.1	-66	-173.5	-178.3	0	113.7	C16 A60	C16-K18 PolarHBondContact O-N 2.95Å; K18-A60 HydrophobicContact CB-CB 3.88Å
19	V	96.5	Very high	74.5	Confident	11 Å²	11	95.6 Å²	95.6	7%	0.067	54%	0.535	C	S	.	.	S	Bend	trans	-88.1	121.7	174.8	-178.1	0	0	0	0	109	S17 F56 A60 L72 K74	S17-V19 PolarHBondContact O-N 3.24Å; S17-V19 PolarHBondContact OG-N 3.38Å; S17-V19 PolarHBondContact OG-O 3.04Å; V19-F56 HydrophobicContact CG1-CD1 3.94Å; V19-F56 HydrophobicContact CG1-CE1 3.77Å; V19-F56 HydrophobicContact CG2-CD1 3.92Å; V19-F56 HydrophobicContact CG2-CE1 4.38Å; V19-A60 HydrophobicContact CG2-CB 3.74Å; V19-L72 WeakPolarHBondContact CA-O 3.3Å; V19-L72 HydrophobicContact CG2-CB 4.49Å; V19-K74 HydrophobicContact CG1-CB 4.09Å; V19-K74 HydrophobicContact CG1-CD 4.21Å; V19-K74 HydrophobicContact CG1-CG 3.93Å
20	L	96.3	Very high	76.8	Confident	64 Å²	64	90.5 Å²	90.5	34%	0.335	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	141.5	176.5	-60.3	177.4	0	0	0	110.4	I34 K71 L72 V73 K74	L20-I34 HydrophobicContact CD1-CD1 3.82Å; L20-K71 HydrophobicContact CD1-CB 4.13Å; L20-K71 HydrophobicContact CD1-CG 4.28Å; L20-L72 PolarHBondContact N-O 2.86Å; L20-V73 HydrophobicContact CB-CG2 4.18Å; L20-V73 HydrophobicContact CD1-CG2 4.46Å; L20-V73 CarbonylContact O-C 3.55Å; L20-V73 VanDerWaalsContact O-CA 3.29Å; L20-V73 WeakPolarHBondContact O-CA 3.44Å; L20-K74 PolarHBondContact O-N 2.69Å
21	E	97	Very high	79.3	Confident	103 Å²	103	82.7 Å²	82.7	48%	0.481	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	118.1	173.6	-172.1	160.4	-174	0	0	108.4	K74	E21-K74 HydrophobicContact CB-CG 4.27Å; E21-K74 VanDerWaalsContact CD-NZ 3.34Å; E21-K74 HydrophobicContact CG-CG 4.32Å; E21-K74 IonicContact OE1-NZ 2.79Å; E21-K74 WeakPolarHBondContact OE2-CE 3.44Å; E21-K74 IonicContact OE2-NZ 3.16Å; E21-K74 PolarHBondContact OE2-NZ 3.23Å
22	L	97.1	Very high	81.7	Confident	6 Å²	6	84.5 Å²	84.5	3%	0.031	47%	0.472	C	S	.	.			trans	-110.6	143.7	-178.6	-61	-173.6	0	0	0	110.7	N26 F27 E30 L31 V73 K74 V75	L22-N26 WeakPolarHBondContact CA-OD1 3.25Å; L22-F27 HydrophobicContact CB-CB 4.5Å; L22-F27 HydrophobicContact CB-CD2 3.85Å; L22-F27 HydrophobicContact CD1-CD2 4.04Å; L22-E30 HydrophobicContact CD1-CB 4Å; L22-E30 HydrophobicContact CD2-CB 3.7Å; L22-E30 HydrophobicContact CD2-CG 3.75Å; L22-L31 HydrophobicContact CD1-CD2 4.13Å; L22-L31 HydrophobicContact CD1-CG 4.03Å; L22-V73 HydrophobicContact CB-CG1 4.12Å; L22-V73 HydrophobicContact CD1-CG1 3.62Å; L22-V73 HydrophobicContact CD1-CG2 4.26Å; L22-V73 HydrophobicContact CG-CG1 3.61Å; L22-K74 PolarHBondContact N-O 2.89Å; L22-V75 HydrophobicContact CB-CG2 4.43Å
23	T	96.9	Very high	84.3	Confident	43 Å²	43	83.7 Å²	83.7	26%	0.264	46%	0.46	S	S	.	.			trans	-121	173.3	177.5	67.7	0	0	0	0	109.4	D25 N26 F27	T23-D25 PolarHBondContact O-N 3.19Å; T23-N26 PolarHBondContact N-OD1 2.68Å; T23-N26 PolarHBondContact O-N 3.35Å; T23-N26 VanDerWaalsContact O-N 3.16Å; T23-N26 PolarHBondContact O-OD1 2.99Å; T23-N26 VanDerWaalsContact O-OD1 3.09Å; T23-F27 VanDerWaalsContact O-CB 3.3Å; T23-F27 WeakPolarHBondContact O-CB 3.47Å; T23-F27 PolarHBondContact O-N 3.02Å
24	K	95.4	Very high	86.8	Confident	138 Å²	138	74.4 Å²	74.4	60%	0.6	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-32.1	179.8	-175.4	-176.7	177.3	-178.9	0	112.8	I83	K24-I83 HydrophobicContact CB-CD1 4.48Å
25	D	95.5	Very high	89.5	Confident	149 Å²	149	71.9 Å²	71.9	80%	0.797	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-27	-174.5	-57.4	-34.4	0	0	0	113.3	T23	T23-D25 PolarHBondContact O-N 3.19Å
26	N	96.3	Very high	92.1	Very high	46 Å²	46	66.2 Å²	66.2	25%	0.246	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.4	-7.7	-172.6	69.6	6.4	0	0	0	114.5	L22 T23 H28 S29 E30	L22-N26 WeakPolarHBondContact CA-OD1 3.25Å; T23-N26 PolarHBondContact N-OD1 2.68Å; T23-N26 PolarHBondContact O-N 3.35Å; T23-N26 VanDerWaalsContact O-N 3.16Å; T23-N26 PolarHBondContact O-OD1 2.99Å; T23-N26 VanDerWaalsContact O-OD1 3.09Å; N26-H28 PolarHBondContact O-N 3.14Å; N26-S29 PolarHBondContact O-N 2.75Å; N26-S29 PolarHBondContact O-OG 2.7Å; N26-E30 HydrophobicContact CB-CG 3.9Å; N26-E30 VanDerWaalsContact O-CB 3.26Å; N26-E30 WeakPolarHBondContact O-CB 3.44Å; N26-E30 VanDerWaalsContact O-CG 3.23Å; N26-E30 WeakPolarHBondContact O-CG 3.41Å; N26-E30 PolarHBondContact O-N 2.8Å
27	F	97.5	Very high	94.2	Very high	1 Å²	1	60.6 Å²	60.6	0%	0.004	32%	0.317	C	S	.	.	H	α-helix	trans	-52.2	-54.9	-172.4	-173.7	-94.8	0	0	0	113.2	L22 T23 L31 V39 F41 V75 I83 F87 F98	L22-F27 HydrophobicContact CB-CB 4.5Å; L22-F27 HydrophobicContact CB-CD2 3.85Å; L22-F27 HydrophobicContact CD1-CD2 4.04Å; T23-F27 VanDerWaalsContact O-CB 3.3Å; T23-F27 WeakPolarHBondContact O-CB 3.47Å; T23-F27 PolarHBondContact O-N 3.02Å; F27-L31 HydrophobicContact CD1-CD1 3.87Å; F27-L31 HydrophobicContact CD2-CD1 4.36Å; F27-L31 HydrophobicContact CE1-CD1 3.32Å; F27-L31 HydrophobicContact CE2-CD1 3.87Å; F27-L31 HydrophobicContact CG-CD1 4.36Å; F27-L31 HydrophobicContact CZ-CD1 3.35Å; F27-L31 HydrophobicContact CZ-CG 4.5Å; F27-L31 WeakPolarHBondContact O-CB 3.21Å; F27-L31 VanDerWaalsContact O-CG 3.27Å; F27-L31 WeakPolarHBondContact O-CG 3.3Å; F27-L31 PolarHBondContact O-N 3.05Å; F27-L31 VanDerWaalsContact O-N 3.09Å; F27-V39 HydrophobicContact CE2-CG1 4.06Å; F27-V39 HydrophobicContact CE2-CG2 4.44Å; F27-V39 HydrophobicContact CZ-CG1 4.45Å; F27-V39 HydrophobicContact CZ-CG2 4.49Å; F27-F41 HydrophobicContact CZ-CZ 4.29Å; F27-V75 HydrophobicContact CD2-CG2 3.88Å; F27-V75 HydrophobicContact CE2-CG2 3.63Å; F27-I83 HydrophobicContact CB-CD1 3.98Å; F27-I83 HydrophobicContact CD1-CG2 3.98Å; F27-I83 HydrophobicContact CD2-CD1 4.02Å; F27-I83 HydrophobicContact CD2-CG2 3.87Å; F27-I83 HydrophobicContact CE1-CG2 3.89Å; F27-I83 HydrophobicContact CE2-CG2 3.79Å; F27-I83 HydrophobicContact CG-CD1 4.05Å; F27-I83 HydrophobicContact CG-CG2 3.97Å; F27-I83 HydrophobicContact CZ-CG2 3.77Å; F27-F87 HydrophobicContact CD1-CE2 4.23Å; F27-F87 HydrophobicContact CE1-CD2 4.28Å; F27-F87 AromaticContact CE1-CE2 3.29Å; F27-F87 HydrophobicContact CE1-CE2 3.29Å; F27-F87 AromaticContact CE1-CZ 3.7Å; F27-F87 HydrophobicContact CE1-CZ 3.7Å; F27-F87 HydrophobicContact CZ-CD2 4.32Å; F27-F87 AromaticContact CZ-CE2 3.73Å; F27-F87 HydrophobicContact CZ-CE2 3.73Å; F27-F87 HydrophobicContact CZ-CZ 4.36Å; F27-F98 HydrophobicContact CE1-CE1 4.42Å; F27-F98 HydrophobicContact CE1-CZ 4.41Å; F27-F98 HydrophobicContact CZ-CE1 4.45Å; F27-F98 HydrophobicContact CZ-CE2 4.47Å; F27-F98 HydrophobicContact CZ-CZ 4.04Å
28	H	96.2	Very high	95.6	Very high	84 Å²	84	57.6 Å²	57.6	39%	0.389	30%	0.296	S	S	.	.	H	α-helix	trans	-71.3	-37.8	-176.3	-76.1	-71.1	0	0	0	113.3	N26 K32 E86	N26-H28 PolarHBondContact O-N 3.14Å; H28-K32 VanDerWaalsContact O-CG 3.32Å; H28-K32 WeakPolarHBondContact O-CG 3.35Å; H28-K32 PolarHBondContact O-N 2.71Å; H28-E86 IonicContact CE1-OE1 3.89Å; H28-E86 PolarHBondContact CE1-OE1 3.46Å; H28-E86 IonicContact CE1-OE2 2.64Å; H28-E86 IonicContact NE2-OE1 3.19Å; H28-E86 PolarHBondContact NE2-OE1 3.3Å; H28-E86 VanDerWaalsContact NE2-OE1 3.11Å; H28-E86 IonicContact NE2-OE2 3.14Å; H28-E86 PolarHBondContact NE2-OE2 2.76Å
29	S	96.2	Very high	96	Very high	75 Å²	75	51.8 Å²	51.8	52%	0.524	27%	0.271	S	S	.	.	H	α-helix	trans	-70.5	-42.2	179.5	52.6	0	0	0	0	111.9	N26	N26-S29 PolarHBondContact O-N 2.75Å; N26-S29 PolarHBondContact O-OG 2.7Å
30	E	96.4	Very high	96.1	Very high	79 Å²	79	51.7 Å²	51.7	37%	0.369	27%	0.27	S	S	.	.	H	α-helix	trans	-68.5	-46	179.7	-69.9	-68.9	160.7	0	0	110.8	L22 N26 K32 S33 I34	L22-E30 HydrophobicContact CD1-CB 4Å; L22-E30 HydrophobicContact CD2-CB 3.7Å; L22-E30 HydrophobicContact CD2-CG 3.75Å; N26-E30 HydrophobicContact CB-CG 3.9Å; N26-E30 VanDerWaalsContact O-CB 3.26Å; N26-E30 WeakPolarHBondContact O-CB 3.44Å; N26-E30 VanDerWaalsContact O-CG 3.23Å; N26-E30 WeakPolarHBondContact O-CG 3.41Å; N26-E30 PolarHBondContact O-N 2.8Å; E30-K32 VanDerWaalsContact C-N 3.28Å; E30-K32 PolarHBondContact O-N 3.49Å; E30-S33 WeakPolarHBondContact O-CB 3.17Å; E30-S33 PolarHBondContact O-N 3.5Å; E30-S33 PolarHBondContact O-OG 3.43Å; E30-I34 WeakPolarHBondContact O-CG1 3.49Å; E30-I34 PolarHBondContact O-N 2.99Å
31	L	96.6	Very high	96.2	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-62.3	-32.5	179.4	-73.3	-177.4	0	0	0	113.5	L22 F27 S33 I34 A37 V39 V73 F98 G101	L22-L31 HydrophobicContact CD1-CD2 4.13Å; L22-L31 HydrophobicContact CD1-CG 4.03Å; F27-L31 HydrophobicContact CD1-CD1 3.87Å; F27-L31 HydrophobicContact CD2-CD1 4.36Å; F27-L31 HydrophobicContact CE1-CD1 3.32Å; F27-L31 HydrophobicContact CE2-CD1 3.87Å; F27-L31 HydrophobicContact CG-CD1 4.36Å; F27-L31 HydrophobicContact CZ-CD1 3.35Å; F27-L31 HydrophobicContact CZ-CG 4.5Å; F27-L31 WeakPolarHBondContact O-CB 3.21Å; F27-L31 VanDerWaalsContact O-CG 3.27Å; F27-L31 WeakPolarHBondContact O-CG 3.3Å; F27-L31 PolarHBondContact O-N 3.05Å; F27-L31 VanDerWaalsContact O-N 3.09Å; L31-S33 PolarHBondContact O-N 2.68Å; L31-I34 HydrophobicContact CD2-CD1 4.4Å; L31-I34 PolarHBondContact O-N 3.24Å; L31-I34 VanDerWaalsContact O-O 3.13Å; L31-A37 HydrophobicContact CD2-CB 3.54Å; L31-V39 HydrophobicContact CD1-CG2 4.39Å; L31-V39 HydrophobicContact CD2-CG2 4.05Å; L31-V73 HydrophobicContact CD2-CG2 4.34Å; L31-F98 HydrophobicContact CD1-CB 4.44Å; L31-F98 HydrophobicContact CD1-CD1 3.77Å; L31-F98 HydrophobicContact CD1-CD2 4.35Å; L31-F98 HydrophobicContact CD1-CE1 4.02Å; L31-F98 HydrophobicContact CD1-CG 3.94Å; L31-F98 HydrophobicContact CD1-CZ 4.41Å; L31-F98 HydrophobicContact CD2-CB 4.45Å; L31-G101 PolarHBondContact O-N 2.91Å; L31-G101 VanDerWaalsContact O-N 3.14Å
32	K	95.6	Very high	96.3	Very high	147 Å²	147	45.2 Å²	45.2	64%	0.639	24%	0.237	S	C	*	.	H	α-helix	trans	-64	-26.6	173.7	-77.5	176.1	-178.1	-179.2	0	113.3	H28 E30	H28-K32 VanDerWaalsContact O-CG 3.32Å; H28-K32 WeakPolarHBondContact O-CG 3.35Å; H28-K32 PolarHBondContact O-N 2.71Å; E30-K32 VanDerWaalsContact C-N 3.28Å; E30-K32 PolarHBondContact O-N 3.49Å
33	S	94.1	Very high	96.3	Very high	82 Å²	82	44.9 Å²	44.9	57%	0.573	24%	0.235	S	C	*	.	H	α-helix	trans	-85.8	-11.6	178	78.4	0	0	0	0	113.5	E30 L31	E30-S33 WeakPolarHBondContact O-CB 3.17Å; E30-S33 PolarHBondContact O-N 3.5Å; E30-S33 PolarHBondContact O-OG 3.43Å; L31-S33 PolarHBondContact O-N 2.68Å
34	I	93.6	Very high	96.2	Very high	8 Å²	8	45.8 Å²	45.8	4%	0.041	24%	0.241	C	C	.	.			trans	-101.5	116.6	-177.7	-60.6	164.4	0	0	0	108.7	L20 E30 L31 V36 A37 K71 V73 N100	L20-I34 HydrophobicContact CD1-CD1 3.82Å; E30-I34 WeakPolarHBondContact O-CG1 3.49Å; E30-I34 PolarHBondContact O-N 2.99Å; L31-I34 HydrophobicContact CD2-CD1 4.4Å; L31-I34 PolarHBondContact O-N 3.24Å; L31-I34 VanDerWaalsContact O-O 3.13Å; I34-V36 VanDerWaalsContact C-N 3.32Å; I34-V36 VanDerWaalsContact CG2-O 3.26Å; I34-V36 WeakPolarHBondContact CG2-O 3.31Å; I34-V36 PolarHBondContact O-N 3.04Å; I34-A37 HydrophobicContact CB-CB 4.46Å; I34-A37 HydrophobicContact CG2-CB 3.86Å; I34-K71 HydrophobicContact CD1-CB 4.24Å; I34-K71 HydrophobicContact CD1-CG 4.33Å; I34-K71 HydrophobicContact CG1-CG 4.2Å; I34-K71 HydrophobicContact CG2-CB 3.87Å; I34-K71 HydrophobicContact CG2-CG 3.79Å; I34-V73 HydrophobicContact CD1-CG2 4.38Å; I34-N100 PolarHBondContact O-N 3.35Å
35	P	91.8	Very high	96.2	Very high	47 Å²	47	47.5 Å²	47.5	31%	0.305	24%	0.244	S	C	.	.	S	Bend	trans	-57	-44.5	-179	-26.5	34.2	0	0	0	113	D69 R99 N100	P35-D69 HydrophobicContact CB-CB 4.04Å; P35-D69 WeakPolarHBondContact CB-O 3.49Å; P35-D69 WeakPolarHBondContact CD-O 3.15Å; P35-D69 HydrophobicContact CG-CB 4.07Å; P35-R99 VanDerWaalsContact O-CA 3.3Å; P35-R99 WeakPolarHBondContact O-CA 3.47Å; P35-R99 WeakPolarHBondContact O-CG 3.5Å; P35-N100 WeakPolarHBondContact CA-OD1 3.45Å; P35-N100 PolarHBondContact O-N 2.93Å; P35-N100 VanDerWaalsContact O-N 3.15Å
36	V	93.8	Very high	96.2	Very high	1 Å²	1	41 Å²	41	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	124.7	173.8	-176	0	0	0	0	110.5	I34 D69 V70 K71 I97 F98 M120 R123	I34-V36 VanDerWaalsContact C-N 3.32Å; I34-V36 VanDerWaalsContact CG2-O 3.26Å; I34-V36 WeakPolarHBondContact CG2-O 3.31Å; I34-V36 PolarHBondContact O-N 3.04Å; V36-D69 PolarHBondContact N-O 3.26Å; V36-V70 HydrophobicContact CB-CG2 4.21Å; V36-V70 CarbonylContact O-C 3.45Å; V36-V70 VanDerWaalsContact O-CA 3.23Å; V36-V70 WeakPolarHBondContact O-CA 3.24Å; V36-K71 PolarHBondContact O-N 2.83Å; V36-I97 HydrophobicContact CG1-CG2 4.15Å; V36-F98 CarbonylContact C-O 3.52Å; V36-F98 WeakPolarHBondContact CA-O 3.44Å; V36-M120 HydrophobicContact CG1-CE 3.53Å; V36-R123 HydrophobicContact CG1-CB 4.22Å
37	A	97	Very high	96.2	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.008	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	142	176.1	0	0	0	0	0	111.2	L31 I34 K71 V73 I97 F98	L31-A37 HydrophobicContact CD2-CB 3.54Å; I34-A37 HydrophobicContact CB-CB 4.46Å; I34-A37 HydrophobicContact CG2-CB 3.86Å; A37-K71 VanDerWaalsContact CA-O 3.29Å; A37-K71 WeakPolarHBondContact CA-O 3.46Å; A37-V73 HydrophobicContact CB-CG2 4.22Å; A37-I97 CarbonylContact O-C 3.56Å; A37-I97 VanDerWaalsContact O-CA 3.32Å; A37-I97 WeakPolarHBondContact O-CA 3.44Å; A37-F98 HydrophobicContact CB-CB 4.33Å; A37-F98 PolarHBondContact N-O 3.46Å; A37-F98 PolarHBondContact O-N 3.02Å
38	L	98.1	Very high	96	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	114.9	162.5	179.3	67.1	0	0	0	108.7	F56 K71 L72 V73 L95 I97 Y107 I116 M120	L38-F56 HydrophobicContact CD2-CE2 3.82Å; L38-F56 HydrophobicContact CD2-CZ 4.46Å; L38-F56 HydrophobicContact CG-CE2 4.18Å; L38-F56 HydrophobicContact CG-CZ 4.42Å; L38-K71 PolarHBondContact N-O 3.37Å; L38-L72 HydrophobicContact CB-CD2 3.6Å; L38-L72 HydrophobicContact CD2-CD2 3.98Å; L38-L72 HydrophobicContact CG-CD2 4.3Å; L38-V73 PolarHBondContact O-N 3.43Å; L38-L95 HydrophobicContact CD1-CB 4.12Å; L38-I97 HydrophobicContact CD1-CG1 3.85Å; L38-Y107 HydrophobicContact CD1-CG 4.34Å; L38-I116 HydrophobicContact CD2-CG2 3.64Å; L38-M120 HydrophobicContact CB-CE 3.7Å; L38-M120 HydrophobicContact CB-CG 4.16Å; L38-M120 HydrophobicContact CB-SD 3.76Å; L38-M120 HydrophobicContact CD1-SD 4.15Å; L38-M120 HydrophobicContact CD2-CG 3.92Å; L38-M120 HydrophobicContact CD2-SD 4.05Å; L38-M120 HydrophobicContact CG-SD 4.22Å
39	V	98.5	Very high	96.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	119.8	-178.5	-176.9	0	0	0	0	109.7	F27 L31 F41 V73 V75 L95 K96 F98	F27-V39 HydrophobicContact CE2-CG1 4.06Å; F27-V39 HydrophobicContact CE2-CG2 4.44Å; F27-V39 HydrophobicContact CZ-CG1 4.45Å; F27-V39 HydrophobicContact CZ-CG2 4.49Å; L31-V39 HydrophobicContact CD1-CG2 4.39Å; L31-V39 HydrophobicContact CD2-CG2 4.05Å; V39-F41 HydrophobicContact CB-CE2 3.91Å; V39-F41 HydrophobicContact CB-CZ 4.18Å; V39-F41 HydrophobicContact CG1-CD1 4.36Å; V39-F41 HydrophobicContact CG1-CD2 4.05Å; V39-F41 HydrophobicContact CG1-CE1 3.92Å; V39-F41 HydrophobicContact CG1-CE2 3.56Å; V39-F41 HydrophobicContact CG1-CG 4.43Å; V39-F41 HydrophobicContact CG1-CZ 3.51Å; V39-V73 CarbonylContact C-O 3.57Å; V39-V73 WeakPolarHBondContact CA-O 3.45Å; V39-V73 HydrophobicContact CB-CB 4.44Å; V39-V73 HydrophobicContact CG1-CG1 4.17Å; V39-V73 HydrophobicContact CG2-CB 3.97Å; V39-V73 HydrophobicContact CG2-CG1 4.11Å; V39-V75 HydrophobicContact CG1-CG2 3.83Å; V39-L95 WeakPolarHBondContact O-CA 3.17Å; V39-K96 PolarHBondContact N-O 2.9Å; V39-K96 PolarHBondContact O-N 2.83Å; V39-F98 HydrophobicContact CB-CD2 4.1Å; V39-F98 HydrophobicContact CB-CE2 3.85Å; V39-F98 HydrophobicContact CG2-CD2 3.42Å; V39-F98 VanDerWaalsContact CG2-CD2 3.42Å; V39-F98 HydrophobicContact CG2-CE2 3.53Å; V39-F98 HydrophobicContact CG2-CG 4.39Å
40	K	98.5	Very high	96.1	Very high	10 Å²	10	46.2 Å²	46.2	4%	0.043	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	105.2	170.8	-177.4	-172.8	74.6	173.3	0	110.6	L52 F56 V73 K74 V75 P93 L95	K40-L52 HydrophobicContact CD-CD2 4.07Å; K40-L52 HydrophobicContact CD-CG 4.43Å; K40-F56 HydrophobicContact CB-CE1 3.92Å; K40-F56 HydrophobicContact CB-CE2 3.93Å; K40-F56 HydrophobicContact CB-CZ 3.6Å; K40-F56 HydrophobicContact CD-CD1 4.35Å; K40-F56 HydrophobicContact CD-CD2 4.36Å; K40-F56 HydrophobicContact CD-CG 4.24Å; K40-V73 PolarHBondContact N-O 3.4Å; K40-K74 WeakPolarHBondContact O-CA 3.35Å; K40-V75 PolarHBondContact O-N 3.25Å; K40-P93 HydrophobicContact CG-CB 4.34Å; K40-L95 HydrophobicContact CB-CD2 3.57Å; K40-L95 HydrophobicContact CG-CD2 3.65Å
41	F	98.5	Very high	96.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	120.1	168.1	-59.4	-84.4	0	0	0	109	F27 V39 V75 I83 F87 V89 P93 T94 K96 F98	F27-F41 HydrophobicContact CZ-CZ 4.29Å; V39-F41 HydrophobicContact CB-CE2 3.91Å; V39-F41 HydrophobicContact CB-CZ 4.18Å; V39-F41 HydrophobicContact CG1-CD1 4.36Å; V39-F41 HydrophobicContact CG1-CD2 4.05Å; V39-F41 HydrophobicContact CG1-CE1 3.92Å; V39-F41 HydrophobicContact CG1-CE2 3.56Å; V39-F41 HydrophobicContact CG1-CG 4.43Å; V39-F41 HydrophobicContact CG1-CZ 3.51Å; F41-V75 HydrophobicContact CD1-CB 4.01Å; F41-V75 HydrophobicContact CD1-CG1 4.2Å; F41-V75 HydrophobicContact CE1-CB 4.28Å; F41-V75 HydrophobicContact CE1-CG1 4.42Å; F41-V75 HydrophobicContact CE1-CG2 4.39Å; F41-I83 HydrophobicContact CE1-CG2 4.04Å; F41-F87 HydrophobicContact CE1-CD2 4.26Å; F41-F87 HydrophobicContact CZ-CB 4.29Å; F41-F87 AromaticContact CZ-CD2 3.94Å; F41-F87 HydrophobicContact CZ-CD2 3.94Å; F41-F87 HydrophobicContact CZ-CG 4.29Å; F41-V89 HydrophobicContact CB-CG1 3.99Å; F41-V89 HydrophobicContact CB-CG2 3.92Å; F41-V89 HydrophobicContact CD1-CG2 3.93Å; F41-V89 HydrophobicContact CD2-CG2 3.93Å; F41-V89 HydrophobicContact CE1-CG2 4.42Å; F41-V89 HydrophobicContact CE2-CG2 4.43Å; F41-V89 HydrophobicContact CG-CG2 3.64Å; F41-P93 WeakPolarHBondContact O-CA 3.28Å; F41-T94 HydrophobicContact CD2-CG2 4.48Å; F41-T94 PolarHBondContact N-O 3.43Å; F41-T94 PolarHBondContact O-N 2.88Å; F41-T94 VanDerWaalsContact O-N 3.1Å; F41-K96 HydrophobicContact CD2-CG 4.41Å; F41-K96 HydrophobicContact CE2-CB 4.03Å; F41-K96 HydrophobicContact CE2-CD 3.93Å; F41-K96 HydrophobicContact CE2-CG 4.01Å; F41-F98 HydrophobicContact CE2-CE2 4.42Å; F41-F98 HydrophobicContact CZ-CE2 4.38Å; F41-F98 HydrophobicContact CZ-CZ 4.43Å
42	Y	98.3	Very high	96.2	Very high	30 Å²	30	50.7 Å²	50.7	12%	0.118	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	166.6	-173.1	80.4	-78.9	0	0	0	112.8	P44 K74 V75 D76 C77	Y42-P44 HydrophobicContact CE2-CG 4.27Å; Y42-K74 HydrophobicContact CD1-CB 4.17Å; Y42-K74 HydrophobicContact CE1-CB 3.88Å; Y42-K74 HydrophobicContact CE1-CD 4.09Å; Y42-K74 HydrophobicContact CE1-CG 4.18Å; Y42-V75 WeakPolarHBondContact CD1-O 3.41Å; Y42-V75 PolarHBondContact N-O 3.43Å; Y42-D76 HydrophobicContact CE1-CB 4.01Å; Y42-C77 PolarHBondContact O-N 3.41Å
43	A	96.9	Very high	96.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.239	C	C	.	.			trans	-125.2	139.5	166.3	0	0	0	0	0	109.9	W45 C46 T78 Y92	A43-W45 HydrophobicContact CB-CD2 3.99Å; A43-W45 VanDerWaalsContact CB-CE2 3.47Å; A43-W45 HydrophobicContact CB-CG 4.43Å; A43-W45 HydrophobicContact CB-CH2 4.29Å; A43-W45 HydrophobicContact CB-CZ2 3.64Å; A43-W45 PolarHBondContact O-N 3.17Å; A43-W45 VanDerWaalsContact O-N 3.17Å; A43-C46 PolarHBondContact O-N 3.41Å; A43-C46 VanDerWaalsContact O-N 3.12Å; A43-T78 HydrophobicContact CB-CG2 3.84Å; A43-Y92 HydrophobicContact CB-CD2 3.63Å; A43-Y92 HydrophobicContact CB-CE2 3.74Å; A43-Y92 HydrophobicContact CB-CG 4.14Å
44	P	95.6	Very high	96.4	Very high	61 Å²	61	45 Å²	45	40%	0.396	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-28.7	-176	-27.4	35.5	0	0	0	114.5	Y42 K50 D76	Y42-P44 HydrophobicContact CE2-CG 4.27Å; P44-K50 WeakPolarHBondContact O-CE 3.43Å; P44-D76 WeakPolarHBondContact CD-OD1 3.29Å; P44-D76 WeakPolarHBondContact CD-OD2 3.41Å; P44-D76 WeakPolarHBondContact CG-OD2 3.48Å
45	W	94.7	Very high	96.6	Very high	174 Å²	174	48 Å²	48	66%	0.659	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-13.6	-178.9	48.7	-104	0	0	0	113.8	A43 G47 Y92	A43-W45 HydrophobicContact CB-CD2 3.99Å; A43-W45 VanDerWaalsContact CB-CE2 3.47Å; A43-W45 HydrophobicContact CB-CG 4.43Å; A43-W45 HydrophobicContact CB-CH2 4.29Å; A43-W45 HydrophobicContact CB-CZ2 3.64Å; A43-W45 PolarHBondContact O-N 3.17Å; A43-W45 VanDerWaalsContact O-N 3.17Å; W45-G47 PolarHBondContact O-N 2.89Å; W45-Y92 AromaticContact CH2-CD2 3.77Å; W45-Y92 HydrophobicContact CH2-CD2 3.77Å; W45-Y92 AromaticContact CH2-CE2 3.91Å; W45-Y92 HydrophobicContact CH2-CE2 3.91Å; W45-Y92 HydrophobicContact CZ2-CD2 4.05Å; W45-Y92 AromaticContact CZ2-CE2 3.83Å; W45-Y92 HydrophobicContact CZ2-CE2 3.83Å
46	C	95.8	Very high	96.9	Very high	13 Å²	13	45.8 Å²	45.8	9%	0.088	23%	0.234	C	C	.	.			trans	-76.2	123	-175.5	173.8	0	0	0	0	112.6	A43 H48 C49 K50 Y92	A43-C46 PolarHBondContact O-N 3.41Å; A43-C46 VanDerWaalsContact O-N 3.12Å; C46-H48 PolarHBondContact O-N 2.78Å; C46-C49 HydrophobicContact CB-CB 3.9Å; C46-C49 VanDerWaalsContact CB-SG 3.56Å; C46-C49 WeakPolarHBondContact O-CB 3.43Å; C46-C49 PolarHBondContact O-N 2.84Å; C46-K50 WeakPolarHBondContact O-CG 3.39Å; C46-K50 PolarHBondContact O-N 3.4Å; C46-Y92 PolarHBondContact SG-O 2.83Å; C46-Y92 VanDerWaalsContact SG-O 3.39Å
47	G	95.6	Very high	97.1	Very high	52 Å²	52	48.6 Å²	48.6	54%	0.536	25%	0.251	S	S	.	.	H	α-helix	trans	-59.8	-41.7	179	0	0	0	0	0	113.8	W45 C49 K50 K51	W45-G47 PolarHBondContact O-N 2.89Å; G47-C49 VanDerWaalsContact C-N 3.33Å; G47-C49 PolarHBondContact O-N 3.33Å; G47-K50 PolarHBondContact O-N 3.03Å; G47-K51 PolarHBondContact O-N 2.66Å
48	H	95	Very high	97.1	Very high	126 Å²	126	51 Å²	51	58%	0.583	27%	0.268	S	S	*	.	H	α-helix	trans	-65.4	-35.8	176.2	-65.4	-62.3	0	0	0	112.4	C46 K51 L52	C46-H48 PolarHBondContact O-N 2.78Å; H48-K51 PolarHBondContact O-N 2.93Å; H48-L52 WeakPolarHBondContact O-CB 3.29Å; H48-L52 PolarHBondContact O-N 2.96Å
49	C	96.8	Very high	97.1	Very high	5 Å²	5	51 Å²	51	3%	0.034	27%	0.268	C	S	.	.	H	α-helix	trans	-65.9	-42	175.2	-64.6	0	0	0	0	112	C46 G47 L52 A53 Y92 P93	C46-C49 HydrophobicContact CB-CB 3.9Å; C46-C49 VanDerWaalsContact CB-SG 3.56Å; C46-C49 WeakPolarHBondContact O-CB 3.43Å; C46-C49 PolarHBondContact O-N 2.84Å; G47-C49 VanDerWaalsContact C-N 3.33Å; G47-C49 PolarHBondContact O-N 3.33Å; C49-L52 PolarHBondContact O-N 3.49Å; C49-A53 PolarHBondContact O-N 3.09Å; C49-Y92 VanDerWaalsContact SG-CB 3.58Å; C49-P93 VanDerWaalsContact SG-N 3.44Å
50	K	96.4	Very high	97.1	Very high	133 Å²	133	51.2 Å²	51.2	58%	0.578	27%	0.27	S	S	*	.	H	α-helix	trans	-61.6	-44	175	-68.1	178.1	-174.4	179.6	0	111.2	P44 C46 G47 A53 P54	P44-K50 WeakPolarHBondContact O-CE 3.43Å; C46-K50 WeakPolarHBondContact O-CG 3.39Å; C46-K50 PolarHBondContact O-N 3.4Å; G47-K50 PolarHBondContact O-N 3.03Å; K50-A53 PolarHBondContact O-N 3.45Å; K50-P54 WeakPolarHBondContact O-CD 2.84Å
51	K	96.9	Very high	97	Very high	169 Å²	169	57.1 Å²	57.1	74%	0.735	30%	0.298	S	S	*	.	H	α-helix	trans	-63.8	-39.4	176.8	-170.6	176.9	-179.5	179.6	0	112.7	G47 H48 P54	G47-K51 PolarHBondContact O-N 2.66Å; H48-K51 PolarHBondContact O-N 2.93Å; K51-P54 WeakPolarHBondContact O-CD 3.34Å
52	L	97.9	Very high	96.9	Very high	5 Å²	5	59.9 Å²	59.9	3%	0.026	31%	0.312	C	S	.	.	H	α-helix	trans	-74.7	-25.6	179.2	178.7	57.8	0	0	0	113.2	K40 H48 C49 E55 F56 P93 L95 R111 I116	K40-L52 HydrophobicContact CD-CD2 4.07Å; K40-L52 HydrophobicContact CD-CG 4.43Å; H48-L52 WeakPolarHBondContact O-CB 3.29Å; H48-L52 PolarHBondContact O-N 2.96Å; C49-L52 PolarHBondContact O-N 3.49Å; L52-E55 HydrophobicContact CD1-CB 4.17Å; L52-E55 PolarHBondContact O-N 2.76Å; L52-F56 HydrophobicContact CD1-CB 4.48Å; L52-F56 HydrophobicContact CG-CB 4.38Å; L52-F56 WeakPolarHBondContact O-CB 3.4Å; L52-F56 PolarHBondContact O-N 2.66Å; L52-P93 HydrophobicContact CD2-CB 3.93Å; L52-P93 HydrophobicContact CD2-CG 3.68Å; L52-L95 HydrophobicContact CD2-CD1 4.17Å; L52-L95 HydrophobicContact CD2-CD2 4.22Å; L52-R111 HydrophobicContact CD1-CB 4.06Å; L52-I116 HydrophobicContact CD1-CD1 3.91Å
53	A	96.9	Very high	96.8	Very high	35 Å²	35	58.6 Å²	58.6	29%	0.289	31%	0.307	S	S	.	.	H	α-helix	trans	-52.1	-51	-175.8	0	0	0	0	0	114.8	C49 K50 F56 T57	C49-A53 PolarHBondContact O-N 3.09Å; K50-A53 PolarHBondContact O-N 3.45Å; A53-F56 PolarHBondContact O-N 2.77Å; A53-T57 PolarHBondContact O-N 3.41Å; A53-T57 PolarHBondContact O-OG1 2.78Å
54	P	97.1	Very high	96.6	Very high	75 Å²	75	60.4 Å²	60.4	49%	0.487	32%	0.32	S	S	.	.	H	α-helix	trans	-64.9	-39	177.8	24.6	-34.6	0	0	0	113	K50 K51 T57 S58	K50-P54 WeakPolarHBondContact O-CD 2.84Å; K51-P54 WeakPolarHBondContact O-CD 3.34Å; P54-T57 PolarHBondContact O-N 2.77Å; P54-S58 WeakPolarHBondContact O-CB 3.41Å; P54-S58 PolarHBondContact O-N 3.31Å; P54-S58 PolarHBondContact O-OG 3.42Å
55	E	98.1	Very high	96.5	Very high	71 Å²	71	60.7 Å²	60.7	33%	0.332	33%	0.334	S	S	.	.	H	α-helix	trans	-63.3	-42.1	176.8	-62.8	-61.7	143.9	0	0	111.4	L52 S58 A59 N112 A113	L52-E55 HydrophobicContact CD1-CB 4.17Å; L52-E55 PolarHBondContact O-N 2.76Å; E55-S58 PolarHBondContact O-N 3.41Å; E55-A59 WeakPolarHBondContact O-CB 3.43Å; E55-A59 PolarHBondContact O-N 2.98Å; E55-N112 WeakPolarHBondContact OE2-CA 3.03Å; E55-A113 WeakPolarHBondContact O-CB 3.27Å; E55-A113 WeakPolarHBondContact OE2-CB 3.25Å; E55-A113 PolarHBondContact OE2-N 3.14Å
56	F	98.2	Very high	96.3	Very high	1 Å²	1	60.1 Å²	60.1	0%	0.004	34%	0.336	C	S	.	.	H	α-helix	trans	-67.3	-41.3	179.2	-159.2	-102.6	0	0	0	111.7	V19 L38 K40 L52 A53 A59 A60 L72 V73 L95 I116	V19-F56 HydrophobicContact CG1-CD1 3.94Å; V19-F56 HydrophobicContact CG1-CE1 3.77Å; V19-F56 HydrophobicContact CG2-CD1 3.92Å; V19-F56 HydrophobicContact CG2-CE1 4.38Å; L38-F56 HydrophobicContact CD2-CE2 3.82Å; L38-F56 HydrophobicContact CD2-CZ 4.46Å; L38-F56 HydrophobicContact CG-CE2 4.18Å; L38-F56 HydrophobicContact CG-CZ 4.42Å; K40-F56 HydrophobicContact CB-CE1 3.92Å; K40-F56 HydrophobicContact CB-CE2 3.93Å; K40-F56 HydrophobicContact CB-CZ 3.6Å; K40-F56 HydrophobicContact CD-CD1 4.35Å; K40-F56 HydrophobicContact CD-CD2 4.36Å; K40-F56 HydrophobicContact CD-CG 4.24Å; L52-F56 HydrophobicContact CD1-CB 4.48Å; L52-F56 HydrophobicContact CG-CB 4.38Å; L52-F56 WeakPolarHBondContact O-CB 3.4Å; L52-F56 PolarHBondContact O-N 2.66Å; A53-F56 PolarHBondContact O-N 2.77Å; F56-A59 PolarHBondContact O-N 3.33Å; F56-A60 PolarHBondContact O-N 3.47Å; F56-L72 HydrophobicContact CD1-CB 4.27Å; F56-L72 HydrophobicContact CD1-CD1 4.2Å; F56-L72 HydrophobicContact CD2-CD1 4.17Å; F56-L72 HydrophobicContact CE1-CB 3.62Å; F56-L72 HydrophobicContact CE1-CD1 4.15Å; F56-L72 HydrophobicContact CE1-CG 4.44Å; F56-L72 HydrophobicContact CE2-CD1 4.09Å; F56-L72 HydrophobicContact CG-CD1 4.22Å; F56-L72 HydrophobicContact CZ-CB 3.79Å; F56-L72 HydrophobicContact CZ-CD1 4.08Å; F56-L72 HydrophobicContact CZ-CD2 4.32Å; F56-L72 HydrophobicContact CZ-CG 4.3Å; F56-L72 VanDerWaalsContact O-CD1 3.27Å; F56-L72 WeakPolarHBondContact O-CD1 3.49Å; F56-V73 WeakPolarHBondContact CE1-O 3.23Å; F56-V73 WeakPolarHBondContact CZ-O 3.48Å; F56-L95 HydrophobicContact CE2-CD2 3.99Å; F56-I116 HydrophobicContact CD2-CD1 4.18Å
57	T	98	Very high	96	Very high	59 Å²	59	60.7 Å²	60.7	36%	0.362	34%	0.339	S	S	.	.	H	α-helix	trans	-63.7	-42.7	173.4	-60.6	0	0	0	0	111.6	A53 P54 A60 Q61	A53-T57 PolarHBondContact O-N 3.41Å; A53-T57 PolarHBondContact O-OG1 2.78Å; P54-T57 PolarHBondContact O-N 2.77Å; T57-A60 WeakPolarHBondContact O-CB 3.48Å; T57-A60 PolarHBondContact O-N 3.42Å; T57-Q61 PolarHBondContact O-N 2.78Å; T57-Q61 VanDerWaalsContact O-N 3.08Å
58	S	97.5	Very high	95.8	Very high	52 Å²	52	64 Å²	64	36%	0.364	35%	0.345	S	S	.	.	H	α-helix	trans	-63.9	-41.5	177.5	-58.4	0	0	0	0	111.5	P54 E55 A60 Q61 I62	P54-S58 WeakPolarHBondContact O-CB 3.41Å; P54-S58 PolarHBondContact O-N 3.31Å; P54-S58 PolarHBondContact O-OG 3.42Å; E55-S58 PolarHBondContact O-N 3.41Å; S58-A60 PolarHBondContact O-N 3.25Å; S58-Q61 WeakPolarHBondContact O-CB 3.25Å; S58-Q61 PolarHBondContact O-N 3.49Å; S58-I62 WeakPolarHBondContact O-CG1 3.25Å; S58-I62 PolarHBondContact O-N 2.82Å
59	A	98	Very high	95.6	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-59.5	-44.7	172.9	0	0	0	0	0	111.9	E55 F56 Q61 I62 I63 L72 A113 I116 A117	E55-A59 WeakPolarHBondContact O-CB 3.43Å; E55-A59 PolarHBondContact O-N 2.98Å; F56-A59 PolarHBondContact O-N 3.33Å; A59-Q61 PolarHBondContact O-N 2.99Å; A59-I62 PolarHBondContact O-N 3.4Å; A59-I63 WeakPolarHBondContact O-CB 3.24Å; A59-I63 WeakPolarHBondContact O-CD1 3.28Å; A59-I63 WeakPolarHBondContact O-CG1 3Å; A59-I63 PolarHBondContact O-N 3.42Å; A59-L72 HydrophobicContact CB-CD1 3.69Å; A59-A113 WeakPolarHBondContact CB-O 3.29Å; A59-I116 HydrophobicContact CB-CB 3.85Å; A59-I116 HydrophobicContact CB-CG2 3.69Å; A59-A117 HydrophobicContact CB-CB 4.38Å
60	A	97.8	Very high	95.5	Very high	5 Å²	5	61.1 Å²	61.1	4%	0.041	33%	0.333	C	S	.	.	H	α-helix	trans	-59	-39.1	177.3	0	0	0	0	0	111.8	K18 V19 F56 T57 S58 S64 L72	K18-A60 HydrophobicContact CB-CB 3.88Å; V19-A60 HydrophobicContact CG2-CB 3.74Å; F56-A60 PolarHBondContact O-N 3.47Å; T57-A60 WeakPolarHBondContact O-CB 3.48Å; T57-A60 PolarHBondContact O-N 3.42Å; S58-A60 PolarHBondContact O-N 3.25Å; A60-S64 WeakPolarHBondContact O-CB 3.45Å; A60-S64 PolarHBondContact O-N 3.28Å; A60-S64 PolarHBondContact O-OG 2.8Å; A60-L72 HydrophobicContact CB-CB 4Å; A60-L72 HydrophobicContact CB-CD1 3.86Å; A60-L72 HydrophobicContact CB-CG 4Å
61	Q	96.7	Very high	95.6	Very high	134 Å²	134	58 Å²	58	63%	0.626	32%	0.319	S	S	*	.	H	α-helix	trans	-65.4	-48.6	176.5	-174.5	170.6	-4.9	0	0	111.6	T57 S58 A59 I63 S64 G65	T57-Q61 PolarHBondContact O-N 2.78Å; T57-Q61 VanDerWaalsContact O-N 3.08Å; S58-Q61 WeakPolarHBondContact O-CB 3.25Å; S58-Q61 PolarHBondContact O-N 3.49Å; A59-Q61 PolarHBondContact O-N 2.99Å; Q61-I63 PolarHBondContact O-N 3.14Å; Q61-S64 PolarHBondContact O-N 3.43Å; Q61-S64 PolarHBondContact O-OG 3.41Å; Q61-G65 PolarHBondContact O-N 3.02Å
62	I	96	Very high	95.6	Very high	58 Å²	58	50 Å²	50	30%	0.297	29%	0.285	S	S	.	.	H	α-helix	trans	-57.4	-49	176.8	-64.6	164.3	0	0	0	110.5	S58 A59 S64 G65 K66 A113 A117 I121	S58-I62 WeakPolarHBondContact O-CG1 3.25Å; S58-I62 PolarHBondContact O-N 2.82Å; A59-I62 PolarHBondContact O-N 3.4Å; I62-S64 PolarHBondContact O-N 3.23Å; I62-G65 PolarHBondContact O-N 2.87Å; I62-K66 WeakPolarHBondContact O-CG 3.2Å; I62-A113 HydrophobicContact CD1-CB 4.26Å; I62-A117 HydrophobicContact CB-CB 3.83Å; I62-A117 HydrophobicContact CD1-CB 4.24Å; I62-A117 HydrophobicContact CG2-CB 3.58Å; I62-I121 HydrophobicContact CG2-CD1 4.41Å
63	I	96.2	Very high	95.7	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-58.4	-49	179.5	-69.3	163.7	0	0	0	110.7	A59 Q61 G65 K66 T67 V70 L72 A117 M120 I121	A59-I63 WeakPolarHBondContact O-CB 3.24Å; A59-I63 WeakPolarHBondContact O-CD1 3.28Å; A59-I63 WeakPolarHBondContact O-CG1 3Å; A59-I63 PolarHBondContact O-N 3.42Å; Q61-I63 PolarHBondContact O-N 3.14Å; I63-G65 PolarHBondContact O-N 3.09Å; I63-G65 VanDerWaalsContact O-N 3.15Å; I63-K66 PolarHBondContact O-N 2.77Å; I63-T67 HydrophobicContact CG2-CG2 4.14Å; I63-T67 PolarHBondContact O-N 3.01Å; I63-V70 HydrophobicContact CD1-CG1 4.2Å; I63-V70 HydrophobicContact CG2-CB 3.56Å; I63-V70 HydrophobicContact CG2-CG1 3.6Å; I63-V70 WeakPolarHBondContact CG2-O 3.33Å; I63-L72 HydrophobicContact CD1-CD1 3.98Å; I63-L72 HydrophobicContact CD1-CD2 3.65Å; I63-L72 HydrophobicContact CD1-CG 3.77Å; I63-A117 HydrophobicContact CG1-CB 4Å; I63-M120 HydrophobicContact CD1-CB 3.93Å; I63-I121 HydrophobicContact CG1-CD1 4.35Å; I63-I121 HydrophobicContact CG1-CG1 4.08Å
64	S	93.6	Very high	95.7	Very high	39 Å²	39	50.2 Å²	50.2	27%	0.273	28%	0.279	S	S	.	.	H	α-helix	trans	-63.1	-22.6	-178.2	72.4	0	0	0	0	113.8	A60 Q61 I62 K66	A60-S64 WeakPolarHBondContact O-CB 3.45Å; A60-S64 PolarHBondContact O-N 3.28Å; A60-S64 PolarHBondContact O-OG 2.8Å; Q61-S64 PolarHBondContact O-N 3.43Å; Q61-S64 PolarHBondContact O-OG 3.41Å; I62-S64 PolarHBondContact O-N 3.23Å; S64-K66 VanDerWaalsContact C-N 3.31Å
65	G	93.2	Very high	95.8	Very high	66 Å²	66	46.7 Å²	46.7	68%	0.68	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-6.6	172.9	0	0	0	0	0	114.2	Q61 I62 I63	Q61-G65 PolarHBondContact O-N 3.02Å; I62-G65 PolarHBondContact O-N 2.87Å; I63-G65 PolarHBondContact O-N 3.09Å; I63-G65 VanDerWaalsContact O-N 3.15Å
66	K	91.1	Very high	95.8	Very high	162 Å²	162	44.1 Å²	44.1	70%	0.704	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.9	-35.8	-175.2	-64.5	-65.5	-174.2	-179	0	113.4	I62 I63 S64 I121	I62-K66 WeakPolarHBondContact O-CG 3.2Å; I63-K66 PolarHBondContact O-N 2.77Å; S64-K66 VanDerWaalsContact C-N 3.31Å; K66-I121 HydrophobicContact CB-CD1 3.85Å; K66-I121 HydrophobicContact CB-CG1 4.32Å; K66-I121 HydrophobicContact CG-CD1 3.88Å
67	T	89.8	Confident	95.8	Very high	25 Å²	25	44.3 Å²	44.3	15%	0.153	25%	0.246	C	C	.	.			trans	-153.4	150.6	-179.6	-179.8	0	0	0	0	111.9	I63 D69 V70 I121 A124	I63-T67 HydrophobicContact CG2-CG2 4.14Å; I63-T67 PolarHBondContact O-N 3.01Å; T67-D69 PolarHBondContact OG1-N 3.03Å; T67-D69 VanDerWaalsContact OG1-N 3.1Å; T67-V70 HydrophobicContact CG2-CB 3.9Å; T67-V70 HydrophobicContact CG2-CG2 3.74Å; T67-I121 HydrophobicContact CG2-CG1 4.45Å; T67-A124 HydrophobicContact CG2-CB 4.06Å
68	N	90.7	Very high	95.6	Very high	123 Å²	123	44.3 Å²	44.3	66%	0.658	25%	0.246	S	C	*	.	S	Bend	trans	-93.1	-14.2	171.6	-74.1	-42.2	0	0	0	113.2	V70 K71	N68-V70 VanDerWaalsContact C-N 3.25Å; N68-V70 PolarHBondContact O-N 3.47Å; N68-K71 WeakPolarHBondContact O-CE 3.45Å
69	D	91.2	Very high	95.6	Very high	69 Å²	69	46.1 Å²	46.1	37%	0.369	26%	0.255	S	S	.	.	S	Bend	trans	-77.9	-13.6	-173.5	-62.8	-18.6	0	0	0	113.1	P35 V36 T67	P35-D69 HydrophobicContact CB-CB 4.04Å; P35-D69 WeakPolarHBondContact CB-O 3.49Å; P35-D69 WeakPolarHBondContact CD-O 3.15Å; P35-D69 HydrophobicContact CG-CB 4.07Å; V36-D69 PolarHBondContact N-O 3.26Å; T67-D69 PolarHBondContact OG1-N 3.03Å; T67-D69 VanDerWaalsContact OG1-N 3.1Å
70	V	95.3	Very high	95.5	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.1	-177.4	-178.5	0	0	0	0	110.1	V36 I63 T67 N68 M120 A124	V36-V70 HydrophobicContact CB-CG2 4.21Å; V36-V70 CarbonylContact O-C 3.45Å; V36-V70 VanDerWaalsContact O-CA 3.23Å; V36-V70 WeakPolarHBondContact O-CA 3.24Å; I63-V70 HydrophobicContact CD1-CG1 4.2Å; I63-V70 HydrophobicContact CG2-CB 3.56Å; I63-V70 HydrophobicContact CG2-CG1 3.6Å; I63-V70 WeakPolarHBondContact CG2-O 3.33Å; T67-V70 HydrophobicContact CG2-CB 3.9Å; T67-V70 HydrophobicContact CG2-CG2 3.74Å; N68-V70 VanDerWaalsContact C-N 3.25Å; N68-V70 PolarHBondContact O-N 3.47Å; V70-M120 HydrophobicContact CG1-CB 3.77Å; V70-M120 HydrophobicContact CG1-CE 4.07Å; V70-M120 WeakPolarHBondContact CG2-O 3.44Å; V70-A124 HydrophobicContact CG2-CB 3.42Å; V70-A124 VanDerWaalsContact CG2-CB 3.42Å
71	K	97	Very high	95.4	Very high	66 Å²	66	53.8 Å²	53.8	29%	0.287	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	147.3	172.7	-56.8	-66	175.4	-168.2	0	111.6	L20 I34 V36 A37 L38 N68	L20-K71 HydrophobicContact CD1-CB 4.13Å; L20-K71 HydrophobicContact CD1-CG 4.28Å; I34-K71 HydrophobicContact CD1-CB 4.24Å; I34-K71 HydrophobicContact CD1-CG 4.33Å; I34-K71 HydrophobicContact CG1-CG 4.2Å; I34-K71 HydrophobicContact CG2-CB 3.87Å; I34-K71 HydrophobicContact CG2-CG 3.79Å; V36-K71 PolarHBondContact O-N 2.83Å; A37-K71 VanDerWaalsContact CA-O 3.29Å; A37-K71 WeakPolarHBondContact CA-O 3.46Å; L38-K71 PolarHBondContact N-O 3.37Å; N68-K71 WeakPolarHBondContact O-CE 3.45Å
72	L	98.3	Very high	95.3	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	131.6	168.7	-61.1	-161.1	0	0	0	109.2	V19 L20 L38 F56 A59 A60 I63 I116 M120	V19-L72 WeakPolarHBondContact CA-O 3.3Å; V19-L72 HydrophobicContact CG2-CB 4.49Å; L20-L72 PolarHBondContact N-O 2.86Å; L38-L72 HydrophobicContact CB-CD2 3.6Å; L38-L72 HydrophobicContact CD2-CD2 3.98Å; L38-L72 HydrophobicContact CG-CD2 4.3Å; F56-L72 HydrophobicContact CD1-CB 4.27Å; F56-L72 HydrophobicContact CD1-CD1 4.2Å; F56-L72 HydrophobicContact CD2-CD1 4.17Å; F56-L72 HydrophobicContact CE1-CB 3.62Å; F56-L72 HydrophobicContact CE1-CD1 4.15Å; F56-L72 HydrophobicContact CE1-CG 4.44Å; F56-L72 HydrophobicContact CE2-CD1 4.09Å; F56-L72 HydrophobicContact CG-CD1 4.22Å; F56-L72 HydrophobicContact CZ-CB 3.79Å; F56-L72 HydrophobicContact CZ-CD1 4.08Å; F56-L72 HydrophobicContact CZ-CD2 4.32Å; F56-L72 HydrophobicContact CZ-CG 4.3Å; F56-L72 VanDerWaalsContact O-CD1 3.27Å; F56-L72 WeakPolarHBondContact O-CD1 3.49Å; A59-L72 HydrophobicContact CB-CD1 3.69Å; A60-L72 HydrophobicContact CB-CB 4Å; A60-L72 HydrophobicContact CB-CD1 3.86Å; A60-L72 HydrophobicContact CB-CG 4Å; I63-L72 HydrophobicContact CD1-CD1 3.98Å; I63-L72 HydrophobicContact CD1-CD2 3.65Å; I63-L72 HydrophobicContact CD1-CG 3.77Å; L72-I116 HydrophobicContact CD1-CG2 4.16Å; L72-I116 HydrophobicContact CD2-CG2 4.4Å; L72-M120 HydrophobicContact CD2-CG 4.38Å
73	V	98.4	Very high	95.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	146.2	-175.1	174.7	0	0	0	0	108.8	L20 L22 L31 I34 A37 L38 V39 K40 F56	L20-V73 HydrophobicContact CB-CG2 4.18Å; L20-V73 HydrophobicContact CD1-CG2 4.46Å; L20-V73 CarbonylContact O-C 3.55Å; L20-V73 VanDerWaalsContact O-CA 3.29Å; L20-V73 WeakPolarHBondContact O-CA 3.44Å; L22-V73 HydrophobicContact CB-CG1 4.12Å; L22-V73 HydrophobicContact CD1-CG1 3.62Å; L22-V73 HydrophobicContact CD1-CG2 4.26Å; L22-V73 HydrophobicContact CG-CG1 3.61Å; L31-V73 HydrophobicContact CD2-CG2 4.34Å; I34-V73 HydrophobicContact CD1-CG2 4.38Å; A37-V73 HydrophobicContact CB-CG2 4.22Å; L38-V73 PolarHBondContact O-N 3.43Å; V39-V73 CarbonylContact C-O 3.57Å; V39-V73 WeakPolarHBondContact CA-O 3.45Å; V39-V73 HydrophobicContact CB-CB 4.44Å; V39-V73 HydrophobicContact CG1-CG1 4.17Å; V39-V73 HydrophobicContact CG2-CB 3.97Å; V39-V73 HydrophobicContact CG2-CG1 4.11Å; K40-V73 PolarHBondContact N-O 3.4Å; F56-V73 WeakPolarHBondContact CE1-O 3.23Å; F56-V73 WeakPolarHBondContact CZ-O 3.48Å
74	K	98.3	Very high	95.4	Very high	45 Å²	45	47.8 Å²	47.8	20%	0.196	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	145.1	168.6	65.5	175.6	178.4	143.6	0	110.6	V19 L20 E21 L22 K40 Y42	V19-K74 HydrophobicContact CG1-CB 4.09Å; V19-K74 HydrophobicContact CG1-CD 4.21Å; V19-K74 HydrophobicContact CG1-CG 3.93Å; L20-K74 PolarHBondContact O-N 2.69Å; E21-K74 HydrophobicContact CB-CG 4.27Å; E21-K74 VanDerWaalsContact CD-NZ 3.34Å; E21-K74 HydrophobicContact CG-CG 4.32Å; E21-K74 IonicContact OE1-NZ 2.79Å; E21-K74 WeakPolarHBondContact OE2-CE 3.44Å; E21-K74 IonicContact OE2-NZ 3.16Å; E21-K74 PolarHBondContact OE2-NZ 3.23Å; L22-K74 PolarHBondContact N-O 2.89Å; K40-K74 WeakPolarHBondContact O-CA 3.35Å; Y42-K74 HydrophobicContact CD1-CB 4.17Å; Y42-K74 HydrophobicContact CE1-CB 3.88Å; Y42-K74 HydrophobicContact CE1-CD 4.09Å; Y42-K74 HydrophobicContact CE1-CG 4.18Å
75	V	98.4	Very high	95.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	122.7	174.7	175.8	0	0	0	0	108.5	L22 F27 V39 K40 F41 Y42 C77 Q80 I83	L22-V75 HydrophobicContact CB-CG2 4.43Å; F27-V75 HydrophobicContact CD2-CG2 3.88Å; F27-V75 HydrophobicContact CE2-CG2 3.63Å; V39-V75 HydrophobicContact CG1-CG2 3.83Å; K40-V75 PolarHBondContact O-N 3.25Å; F41-V75 HydrophobicContact CD1-CB 4.01Å; F41-V75 HydrophobicContact CD1-CG1 4.2Å; F41-V75 HydrophobicContact CE1-CB 4.28Å; F41-V75 HydrophobicContact CE1-CG1 4.42Å; F41-V75 HydrophobicContact CE1-CG2 4.39Å; Y42-V75 WeakPolarHBondContact CD1-O 3.41Å; Y42-V75 PolarHBondContact N-O 3.43Å; V75-C77 PolarHBondContact O-N 2.89Å; V75-Q80 HydrophobicContact CG1-CB 3.72Å; V75-Q80 HydrophobicContact CG1-CG 4.13Å; V75-I83 HydrophobicContact CG1-CB 4.4Å; V75-I83 HydrophobicContact CG1-CD1 4.12Å; V75-I83 HydrophobicContact CG1-CG2 4.45Å
76	D	98.1	Very high	95.6	Very high	18 Å²	18	52.3 Å²	52.3	10%	0.096	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	104.6	175.7	-171	-32.7	0	0	0	110.2	Y42 P44 T78 T79 Q80	Y42-D76 HydrophobicContact CE1-CB 4.01Å; P44-D76 WeakPolarHBondContact CD-OD1 3.29Å; P44-D76 WeakPolarHBondContact CD-OD2 3.41Å; P44-D76 WeakPolarHBondContact CG-OD2 3.48Å; D76-T78 PolarHBondContact O-N 2.87Å; D76-T78 WeakPolarHBondContact OD1-CB 3.11Å; D76-T78 PolarHBondContact OD1-N 2.83Å; D76-T78 PolarHBondContact OD1-OG1 3.14Å; D76-T79 PolarHBondContact O-N 3.23Å; D76-T79 VanDerWaalsContact O-N 3.13Å; D76-T79 PolarHBondContact O-OG1 3.3Å; D76-Q80 WeakPolarHBondContact O-CB 3.25Å; D76-Q80 WeakPolarHBondContact O-CG 3.41Å; D76-Q80 PolarHBondContact O-N 3.2Å
77	C	97.6	Very high	95.9	Very high	4 Å²	4	46 Å²	46	3%	0.027	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-10.7	-177.3	-66	0	0	0	0	114.4	Y42 V75 T79 E81 C84 Y92	Y42-C77 PolarHBondContact O-N 3.41Å; V75-C77 PolarHBondContact O-N 2.89Å; C77-T79 VanDerWaalsContact C-N 3.3Å; C77-E81 VanDerWaalsContact O-CG 3.29Å; C77-E81 WeakPolarHBondContact O-CG 3.47Å; C77-C84 WeakPolarHBondContact CA-SG 3.44Å; C77-C84 HydrophobicContact CB-CB 3.8Å; C77-C84 WeakPolarHBondContact CB-SG 3.49Å; C77-C84 WeakPolarHBondContact SG-CB 3.2Å; C77-C84 CovalentContact SG-SG 2.03Å; C77-C84 PolarHBondContact SG-SG 3.08Å; C77-Y92 HydrophobicContact CB-CE1 3.57Å; C77-Y92 WeakPolarHBondContact CB-OH 3.45Å
78	T	95.5	Very high	96.1	Very high	59 Å²	59	47.6 Å²	47.6	36%	0.362	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-14.3	173.3	68.6	0	0	0	0	112.9	A43 D76	A43-T78 HydrophobicContact CB-CG2 3.84Å; D76-T78 PolarHBondContact O-N 2.87Å; D76-T78 WeakPolarHBondContact OD1-CB 3.11Å; D76-T78 PolarHBondContact OD1-N 2.83Å; D76-T78 PolarHBondContact OD1-OG1 3.14Å
79	T	96.7	Very high	96.3	Very high	90 Å²	90	42.6 Å²	42.6	55%	0.552	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.5	-21.8	176.2	66	0	0	0	0	112.7	D76 C77	D76-T79 PolarHBondContact O-N 3.23Å; D76-T79 VanDerWaalsContact O-N 3.13Å; D76-T79 PolarHBondContact O-OG1 3.3Å; C77-T79 VanDerWaalsContact C-N 3.3Å
80	Q	96.7	Very high	96.4	Very high	32 Å²	32	45.4 Å²	45.4	15%	0.15	27%	0.269	C	S	.	.			trans	-115.6	41.5	-176.6	-49.6	-53	-50.5	0	0	112	V75 D76 S82 I83 C84	V75-Q80 HydrophobicContact CG1-CB 3.72Å; V75-Q80 HydrophobicContact CG1-CG 4.13Å; D76-Q80 WeakPolarHBondContact O-CB 3.25Å; D76-Q80 WeakPolarHBondContact O-CG 3.41Å; D76-Q80 PolarHBondContact O-N 3.2Å; Q80-S82 PolarHBondContact O-N 3.47Å; Q80-S82 VanDerWaalsContact O-N 3.12Å; Q80-I83 HydrophobicContact CB-CD1 3.83Å; Q80-I83 HydrophobicContact CB-CG1 4.21Å; Q80-I83 HydrophobicContact CG-CD1 4.37Å; Q80-I83 PolarHBondContact O-N 3.14Å; Q80-C84 PolarHBondContact O-N 2.87Å
81	E	94.1	Very high	96.3	Very high	135 Å²	135	46.8 Å²	46.8	63%	0.631	28%	0.284	S	S	*	.	H	α-helix	trans	-51.6	-38.1	-173.4	-68.5	-179	-173.5	0	0	113.9	C77 I83 C84 S85	C77-E81 VanDerWaalsContact O-CG 3.29Å; C77-E81 WeakPolarHBondContact O-CG 3.47Å; E81-I83 VanDerWaalsContact C-N 3.31Å; E81-I83 PolarHBondContact O-N 2.8Å; E81-C84 PolarHBondContact O-N 2.96Å; E81-S85 WeakPolarHBondContact O-CB 3.33Å; E81-S85 PolarHBondContact O-N 2.68Å; E81-S85 PolarHBondContact O-OG 3.05Å; E81-S85 VanDerWaalsContact O-OG 3.13Å
82	S	96.1	Very high	96.3	Very high	58 Å²	58	47 Å²	47	41%	0.406	28%	0.283	S	S	.	.	H	α-helix	trans	-62.8	-37.1	-178.9	61.7	0	0	0	0	112.7	Q80 E86	Q80-S82 PolarHBondContact O-N 3.47Å; Q80-S82 VanDerWaalsContact O-N 3.12Å; S82-E86 WeakPolarHBondContact O-CB 3.36Å; S82-E86 PolarHBondContact O-N 3.05Å
83	I	96.6	Very high	96.3	Very high	3 Å²	3	47 Å²	47	2%	0.015	28%	0.284	C	S	.	.	H	α-helix	trans	-69	-44.4	177.8	-49.3	178.9	0	0	0	109.4	K24 F27 F41 V75 Q80 E81 S85 E86 F87	K24-I83 HydrophobicContact CB-CD1 4.48Å; F27-I83 HydrophobicContact CB-CD1 3.98Å; F27-I83 HydrophobicContact CD1-CG2 3.98Å; F27-I83 HydrophobicContact CD2-CD1 4.02Å; F27-I83 HydrophobicContact CD2-CG2 3.87Å; F27-I83 HydrophobicContact CE1-CG2 3.89Å; F27-I83 HydrophobicContact CE2-CG2 3.79Å; F27-I83 HydrophobicContact CG-CD1 4.05Å; F27-I83 HydrophobicContact CG-CG2 3.97Å; F27-I83 HydrophobicContact CZ-CG2 3.77Å; F41-I83 HydrophobicContact CE1-CG2 4.04Å; V75-I83 HydrophobicContact CG1-CB 4.4Å; V75-I83 HydrophobicContact CG1-CD1 4.12Å; V75-I83 HydrophobicContact CG1-CG2 4.45Å; Q80-I83 HydrophobicContact CB-CD1 3.83Å; Q80-I83 HydrophobicContact CB-CG1 4.21Å; Q80-I83 HydrophobicContact CG-CD1 4.37Å; Q80-I83 PolarHBondContact O-N 3.14Å; E81-I83 VanDerWaalsContact C-N 3.31Å; E81-I83 PolarHBondContact O-N 2.8Å; I83-S85 VanDerWaalsContact C-N 3.33Å; I83-S85 PolarHBondContact O-N 3.33Å; I83-E86 WeakPolarHBondContact O-CB 3.44Å; I83-E86 PolarHBondContact O-N 3.26Å; I83-F87 HydrophobicContact CG2-CD2 4.04Å; I83-F87 HydrophobicContact CG2-CE2 3.96Å; I83-F87 VanDerWaalsContact O-CD2 3.24Å; I83-F87 WeakPolarHBondContact O-CD2 3.03Å; I83-F87 PolarHBondContact O-N 3Å
84	C	96.1	Very high	96.2	Very high	6 Å²	6	48.2 Å²	48.2	4%	0.041	29%	0.291	C	S	.	.	H	α-helix	trans	-66.8	-37.8	-177.2	-57	0	0	0	0	111.6	C77 Q80 E81 G88 V89	C77-C84 WeakPolarHBondContact CA-SG 3.44Å; C77-C84 HydrophobicContact CB-CB 3.8Å; C77-C84 WeakPolarHBondContact CB-SG 3.49Å; C77-C84 WeakPolarHBondContact SG-CB 3.2Å; C77-C84 CovalentContact SG-SG 2.03Å; C77-C84 PolarHBondContact SG-SG 3.08Å; Q80-C84 PolarHBondContact O-N 2.87Å; E81-C84 PolarHBondContact O-N 2.96Å; C84-G88 PolarHBondContact O-N 3.45Å; C84-V89 HydrophobicContact CB-CB 4.07Å; C84-V89 HydrophobicContact CB-CG2 4.33Å; C84-V89 WeakPolarHBondContact O-CB 3.48Å; C84-V89 WeakPolarHBondContact O-CG2 3.48Å; C84-V89 PolarHBondContact O-N 3.08Å
85	S	95.4	Very high	96.2	Very high	94 Å²	94	46.3 Å²	46.3	66%	0.657	28%	0.283	S	S	*	.	H	α-helix	trans	-64	-43	171.1	-64.9	0	0	0	0	112.3	E81 I83 F87 G88	E81-S85 WeakPolarHBondContact O-CB 3.33Å; E81-S85 PolarHBondContact O-N 2.68Å; E81-S85 PolarHBondContact O-OG 3.05Å; E81-S85 VanDerWaalsContact O-OG 3.13Å; I83-S85 VanDerWaalsContact C-N 3.33Å; I83-S85 PolarHBondContact O-N 3.33Å; S85-F87 PolarHBondContact O-N 3.35Å; S85-G88 PolarHBondContact O-N 2.88Å; S85-G88 VanDerWaalsContact O-N 3.08Å
86	E	96.9	Very high	96.2	Very high	107 Å²	107	47 Å²	47	50%	0.5	29%	0.286	S	S	.	.	H	α-helix	trans	-54.7	-39.9	178.2	-175.9	-175.5	160.3	0	0	112.2	H28 S82 I83	H28-E86 IonicContact CE1-OE1 3.89Å; H28-E86 PolarHBondContact CE1-OE1 3.46Å; H28-E86 IonicContact CE1-OE2 2.64Å; H28-E86 IonicContact NE2-OE1 3.19Å; H28-E86 PolarHBondContact NE2-OE1 3.3Å; H28-E86 VanDerWaalsContact NE2-OE1 3.11Å; H28-E86 IonicContact NE2-OE2 3.14Å; H28-E86 PolarHBondContact NE2-OE2 2.76Å; S82-E86 WeakPolarHBondContact O-CB 3.36Å; S82-E86 PolarHBondContact O-N 3.05Å; I83-E86 WeakPolarHBondContact O-CB 3.44Å; I83-E86 PolarHBondContact O-N 3.26Å
87	F	96	Very high	96	Very high	30 Å²	30	46.2 Å²	46.2	13%	0.132	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	13.3	-179.9	-61.4	-71.5	0	0	0	114.3	F27 F41 I83 S85 V89 K96 F98 L103	F27-F87 HydrophobicContact CD1-CE2 4.23Å; F27-F87 HydrophobicContact CE1-CD2 4.28Å; F27-F87 AromaticContact CE1-CE2 3.29Å; F27-F87 HydrophobicContact CE1-CE2 3.29Å; F27-F87 AromaticContact CE1-CZ 3.7Å; F27-F87 HydrophobicContact CE1-CZ 3.7Å; F27-F87 HydrophobicContact CZ-CD2 4.32Å; F27-F87 AromaticContact CZ-CE2 3.73Å; F27-F87 HydrophobicContact CZ-CE2 3.73Å; F27-F87 HydrophobicContact CZ-CZ 4.36Å; F41-F87 HydrophobicContact CE1-CD2 4.26Å; F41-F87 HydrophobicContact CZ-CB 4.29Å; F41-F87 AromaticContact CZ-CD2 3.94Å; F41-F87 HydrophobicContact CZ-CD2 3.94Å; F41-F87 HydrophobicContact CZ-CG 4.29Å; I83-F87 HydrophobicContact CG2-CD2 4.04Å; I83-F87 HydrophobicContact CG2-CE2 3.96Å; I83-F87 VanDerWaalsContact O-CD2 3.24Å; I83-F87 WeakPolarHBondContact O-CD2 3.03Å; I83-F87 PolarHBondContact O-N 3Å; S85-F87 PolarHBondContact O-N 3.35Å; F87-V89 PolarHBondContact O-N 3.46Å; F87-K96 HydrophobicContact CB-CD 4.04Å; F87-K96 WeakPolarHBondContact O-CE 3.34Å; F87-K96 PolarHBondContact O-NZ 2.88Å; F87-K96 VanDerWaalsContact O-NZ 3.1Å; F87-F98 HydrophobicContact CD1-CE1 4.12Å; F87-F98 AromaticContact CD1-CZ 3.85Å; F87-F98 HydrophobicContact CD1-CZ 3.85Å; F87-F98 HydrophobicContact CD2-CZ 4.24Å; F87-F98 AromaticContact CE1-CE1 3.49Å; F87-F98 HydrophobicContact CE1-CE1 3.49Å; F87-F98 VanDerWaalsContact CE1-CE1 3.49Å; F87-F98 AromaticContact CE1-CZ 3.66Å; F87-F98 HydrophobicContact CE1-CZ 3.66Å; F87-F98 HydrophobicContact CE2-CE1 4.34Å; F87-F98 HydrophobicContact CE2-CZ 4.11Å; F87-F98 HydrophobicContact CG-CZ 4.15Å; F87-F98 AromaticContact CZ-CE1 3.63Å; F87-F98 HydrophobicContact CZ-CE1 3.63Å; F87-F98 AromaticContact CZ-CZ 3.82Å; F87-F98 HydrophobicContact CZ-CZ 3.82Å; F87-L103 HydrophobicContact CD1-CD2 4.49Å
88	G	95.1	Very high	95.9	Very high	57 Å²	57	46 Å²	46	59%	0.588	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	37.2	174.8	0	0	0	0	0	114.3	C84 S85 S90	C84-G88 PolarHBondContact O-N 3.45Å; S85-G88 PolarHBondContact O-N 2.88Å; S85-G88 VanDerWaalsContact O-N 3.08Å; G88-S90 PolarHBondContact O-N 3.44Å
89	V	95.7	Very high	95.7	Very high	19 Å²	19	44.5 Å²	44.5	12%	0.115	27%	0.268	C	S	.	.			trans	-76.1	114.1	179.1	178.9	0	0	0	0	110.2	F41 C84 F87 Y92 T94	F41-V89 HydrophobicContact CB-CG1 3.99Å; F41-V89 HydrophobicContact CB-CG2 3.92Å; F41-V89 HydrophobicContact CD1-CG2 3.93Å; F41-V89 HydrophobicContact CD2-CG2 3.93Å; F41-V89 HydrophobicContact CE1-CG2 4.42Å; F41-V89 HydrophobicContact CE2-CG2 4.43Å; F41-V89 HydrophobicContact CG-CG2 3.64Å; C84-V89 HydrophobicContact CB-CB 4.07Å; C84-V89 HydrophobicContact CB-CG2 4.33Å; C84-V89 WeakPolarHBondContact O-CB 3.48Å; C84-V89 WeakPolarHBondContact O-CG2 3.48Å; C84-V89 PolarHBondContact O-N 3.08Å; F87-V89 PolarHBondContact O-N 3.46Å; V89-Y92 HydrophobicContact CG1-CD1 4.11Å; V89-Y92 HydrophobicContact CG1-CE1 3.75Å; V89-T94 HydrophobicContact CG2-CG2 4.33Å
90	S	92.4	Very high	95.4	Very high	127 Å²	127	44.8 Å²	44.8	89%	0.888	27%	0.266	S	S	*	.			trans	-110.4	-6.1	-180	58.4	0	0	0	0	114.3	G88	G88-S90 PolarHBondContact O-N 3.44Å
91	G	93.9	Very high	95.3	Very high	30 Å²	30	44 Å²	44	31%	0.309	27%	0.267	S	S	.	.	S	Bend	trans	-157	166.4	-178.3	0	0	0	0	0	112.9	T94	G91-T94 PolarHBondContact O-OG1 3.29Å
92	Y	96.6	Very high	95.2	Very high	70 Å²	70	42.5 Å²	42.5	28%	0.275	26%	0.263	S	S	.	.	S	Bend	trans	-130.7	140.3	-172.6	-50.7	-58.5	0	0	0	113.5	A43 W45 C46 C49 C77 V89	A43-Y92 HydrophobicContact CB-CD2 3.63Å; A43-Y92 HydrophobicContact CB-CE2 3.74Å; A43-Y92 HydrophobicContact CB-CG 4.14Å; W45-Y92 AromaticContact CH2-CD2 3.77Å; W45-Y92 HydrophobicContact CH2-CD2 3.77Å; W45-Y92 AromaticContact CH2-CE2 3.91Å; W45-Y92 HydrophobicContact CH2-CE2 3.91Å; W45-Y92 HydrophobicContact CZ2-CD2 4.05Å; W45-Y92 AromaticContact CZ2-CE2 3.83Å; W45-Y92 HydrophobicContact CZ2-CE2 3.83Å; C46-Y92 PolarHBondContact SG-O 2.83Å; C46-Y92 VanDerWaalsContact SG-O 3.39Å; C49-Y92 VanDerWaalsContact SG-CB 3.58Å; C77-Y92 HydrophobicContact CB-CE1 3.57Å; C77-Y92 WeakPolarHBondContact CB-OH 3.45Å; V89-Y92 HydrophobicContact CG1-CD1 4.11Å; V89-Y92 HydrophobicContact CG1-CE1 3.75Å
93	P	97	Very high	95	Very high	4 Å²	4	43.8 Å²	43.8	3%	0.026	27%	0.265	C	S	.	.	S	Bend	cis	-73.1	145.8	-11.7	30	-33.1	0	0	0	111.2	K40 F41 C49 L52 R111	K40-P93 HydrophobicContact CG-CB 4.34Å; F41-P93 WeakPolarHBondContact O-CA 3.28Å; C49-P93 VanDerWaalsContact SG-N 3.44Å; L52-P93 HydrophobicContact CD2-CB 3.93Å; L52-P93 HydrophobicContact CD2-CG 3.68Å; P93-R111 PolarHBondContact O-NH2 3.41Å
94	T	97.9	Very high	94.7	Very high	24 Å²	24	44.7 Å²	44.7	15%	0.147	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	133.2	164.6	-67.9	0	0	0	0	108.3	F41 V89 G91 K96	F41-T94 HydrophobicContact CD2-CG2 4.48Å; F41-T94 PolarHBondContact N-O 3.43Å; F41-T94 PolarHBondContact O-N 2.88Å; F41-T94 VanDerWaalsContact O-N 3.1Å; V89-T94 HydrophobicContact CG2-CG2 4.33Å; G91-T94 PolarHBondContact O-OG1 3.29Å; T94-K96 HydrophobicContact CG2-CG 4.09Å
95	L	98.2	Very high	94.4	Very high	6 Å²	6	45.9 Å²	45.9	3%	0.031	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	113.7	-175.2	-64.1	-179.4	0	0	0	109	L38 V39 K40 L52 F56 Y107	L38-L95 HydrophobicContact CD1-CB 4.12Å; V39-L95 WeakPolarHBondContact O-CA 3.17Å; K40-L95 HydrophobicContact CB-CD2 3.57Å; K40-L95 HydrophobicContact CG-CD2 3.65Å; L52-L95 HydrophobicContact CD2-CD1 4.17Å; L52-L95 HydrophobicContact CD2-CD2 4.22Å; F56-L95 HydrophobicContact CE2-CD2 3.99Å; L95-Y107 HydrophobicContact CB-CD1 4.23Å; L95-Y107 HydrophobicContact CB-CG 4.5Å; L95-Y107 HydrophobicContact CD1-CD1 3.48Å; L95-Y107 VanDerWaalsContact CD1-CD1 3.48Å; L95-Y107 HydrophobicContact CD1-CE1 4.03Å; L95-Y107 HydrophobicContact CD1-CG 4.41Å; L95-Y107 HydrophobicContact CG-CD1 4.49Å; L95-Y107 PolarHBondContact O-N 3.42Å
96	K	97.3	Very high	94.2	Very high	14 Å²	14	45.9 Å²	45.9	6%	0.061	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142	179.4	-58.4	-176.8	-178.4	-94.1	0	111.5	V39 F41 F87 T94 F98 L103 G105 E106	V39-K96 PolarHBondContact N-O 2.9Å; V39-K96 PolarHBondContact O-N 2.83Å; F41-K96 HydrophobicContact CD2-CG 4.41Å; F41-K96 HydrophobicContact CE2-CB 4.03Å; F41-K96 HydrophobicContact CE2-CD 3.93Å; F41-K96 HydrophobicContact CE2-CG 4.01Å; F87-K96 HydrophobicContact CB-CD 4.04Å; F87-K96 WeakPolarHBondContact O-CE 3.34Å; F87-K96 PolarHBondContact O-NZ 2.88Å; F87-K96 VanDerWaalsContact O-NZ 3.1Å; T94-K96 HydrophobicContact CG2-CG 4.09Å; K96-F98 HydrophobicContact CB-CE2 3.92Å; K96-L103 HydrophobicContact CB-CD1 3.87Å; K96-L103 HydrophobicContact CD-CD1 3.94Å; K96-L103 HydrophobicContact CG-CD1 4.37Å; K96-G105 WeakPolarHBondContact CA-O 3.34Å; K96-E106 HydrophobicContact CG-CG 4.3Å; K96-E106 IonicContact NZ-OE1 2.67Å; K96-E106 PolarHBondContact NZ-OE1 2.84Å
97	I	95.1	Very high	94	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	136.5	-179.3	-56.1	153.3	0	0	0	107.7	V36 A37 L38 D104 G105 Y119 M120	V36-I97 HydrophobicContact CG1-CG2 4.15Å; A37-I97 CarbonylContact O-C 3.56Å; A37-I97 VanDerWaalsContact O-CA 3.32Å; A37-I97 WeakPolarHBondContact O-CA 3.44Å; L38-I97 HydrophobicContact CD1-CG1 3.85Å; I97-D104 HydrophobicContact CB-CB 4.43Å; I97-D104 HydrophobicContact CG2-CB 4.12Å; I97-D104 PolarHBondContact O-N 2.79Å; I97-G105 PolarHBondContact N-O 2.93Å; I97-Y119 HydrophobicContact CD1-CE1 3.51Å; I97-Y119 HydrophobicContact CG1-CE1 4.46Å; I97-M120 HydrophobicContact CG1-SD 4.17Å; I97-M120 HydrophobicContact CG2-CE 4.23Å
98	F	94.9	Very high	93.6	Very high	1 Å²	1	46.7 Å²	46.7	0%	0.004	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	145.9	174.9	-69.9	-102.8	0	0	0	109.5	F27 L31 V36 A37 V39 F41 F87 K96 D102 L103	F27-F98 HydrophobicContact CE1-CE1 4.42Å; F27-F98 HydrophobicContact CE1-CZ 4.41Å; F27-F98 HydrophobicContact CZ-CE1 4.45Å; F27-F98 HydrophobicContact CZ-CE2 4.47Å; F27-F98 HydrophobicContact CZ-CZ 4.04Å; L31-F98 HydrophobicContact CD1-CB 4.44Å; L31-F98 HydrophobicContact CD1-CD1 3.77Å; L31-F98 HydrophobicContact CD1-CD2 4.35Å; L31-F98 HydrophobicContact CD1-CE1 4.02Å; L31-F98 HydrophobicContact CD1-CG 3.94Å; L31-F98 HydrophobicContact CD1-CZ 4.41Å; L31-F98 HydrophobicContact CD2-CB 4.45Å; V36-F98 CarbonylContact C-O 3.52Å; V36-F98 WeakPolarHBondContact CA-O 3.44Å; A37-F98 HydrophobicContact CB-CB 4.33Å; A37-F98 PolarHBondContact N-O 3.46Å; A37-F98 PolarHBondContact O-N 3.02Å; V39-F98 HydrophobicContact CB-CD2 4.1Å; V39-F98 HydrophobicContact CB-CE2 3.85Å; V39-F98 HydrophobicContact CG2-CD2 3.42Å; V39-F98 VanDerWaalsContact CG2-CD2 3.42Å; V39-F98 HydrophobicContact CG2-CE2 3.53Å; V39-F98 HydrophobicContact CG2-CG 4.39Å; F41-F98 HydrophobicContact CE2-CE2 4.42Å; F41-F98 HydrophobicContact CZ-CE2 4.38Å; F41-F98 HydrophobicContact CZ-CZ 4.43Å; F87-F98 HydrophobicContact CD1-CE1 4.12Å; F87-F98 AromaticContact CD1-CZ 3.85Å; F87-F98 HydrophobicContact CD1-CZ 3.85Å; F87-F98 HydrophobicContact CD2-CZ 4.24Å; F87-F98 AromaticContact CE1-CE1 3.49Å; F87-F98 HydrophobicContact CE1-CE1 3.49Å; F87-F98 VanDerWaalsContact CE1-CE1 3.49Å; F87-F98 AromaticContact CE1-CZ 3.66Å; F87-F98 HydrophobicContact CE1-CZ 3.66Å; F87-F98 HydrophobicContact CE2-CE1 4.34Å; F87-F98 HydrophobicContact CE2-CZ 4.11Å; F87-F98 HydrophobicContact CG-CZ 4.15Å; F87-F98 AromaticContact CZ-CE1 3.63Å; F87-F98 HydrophobicContact CZ-CE1 3.63Å; F87-F98 AromaticContact CZ-CZ 3.82Å; F87-F98 HydrophobicContact CZ-CZ 3.82Å; K96-F98 HydrophobicContact CB-CE2 3.92Å; F98-D102 CarbonylContact C-O 3.48Å; F98-D102 WeakPolarHBondContact CA-O 3.3Å; F98-L103 HydrophobicContact CE1-CB 4.34Å; F98-L103 HydrophobicContact CE1-CD1 4.34Å; F98-L103 HydrophobicContact CE2-CD1 4.27Å; F98-L103 HydrophobicContact CZ-CD1 4.08Å
99	R	90.6	Very high	93.3	Very high	27 Å²	27	45.3 Å²	45.3	10%	0.102	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	115.8	176.1	-176.8	176.7	-63.4	-82.9	-0.1	109.4	P35 G101 D102 D104 R123 G125	P35-R99 VanDerWaalsContact O-CA 3.3Å; P35-R99 WeakPolarHBondContact O-CA 3.47Å; P35-R99 WeakPolarHBondContact O-CG 3.5Å; R99-G101 PolarHBondContact O-N 3.29Å; R99-D102 PolarHBondContact N-O 3.01Å; R99-D102 PolarHBondContact O-N 3.18Å; R99-D104 HydrophobicContact CB-CB 4.03Å; R99-D104 IonicContact CZ-OD2 2.71Å; R99-D104 IonicContact NE-OD2 3.37Å; R99-D104 PolarHBondContact NE-OD2 3.38Å; R99-D104 IonicContact NH2-OD2 3.43Å; R99-R123 PolarHBondContact NH2-O 3.37Å; R99-R123 VanDerWaalsContact NH2-O 3.12Å; R99-G125 PolarHBondContact NH1-O 2.92Å
100	N	91.1	Very high	93	Very high	96 Å²	96	47.9 Å²	47.9	51%	0.513	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	35.5	-176	-54.3	-44.5	0	0	0	113.6	I34 P35	I34-N100 PolarHBondContact O-N 3.35Å; P35-N100 WeakPolarHBondContact CA-OD1 3.45Å; P35-N100 PolarHBondContact O-N 2.93Å; P35-N100 VanDerWaalsContact O-N 3.15Å
101	G	93.4	Very high	93.2	Very high	15 Å²	15	47.9 Å²	47.9	16%	0.155	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.2	-18.3	-178.3	0	0	0	0	0	115.9	L31 R99	L31-G101 PolarHBondContact O-N 2.91Å; L31-G101 VanDerWaalsContact O-N 3.14Å; R99-G101 PolarHBondContact O-N 3.29Å
102	D	92.6	Very high	93.3	Very high	103 Å²	103	49.8 Å²	49.8	55%	0.551	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	145.1	179.4	-64.7	-33.3	0	0	0	111.4	F98 R99 D104	F98-D102 CarbonylContact C-O 3.48Å; F98-D102 WeakPolarHBondContact CA-O 3.3Å; R99-D102 PolarHBondContact N-O 3.01Å; R99-D102 PolarHBondContact O-N 3.18Å; D102-D104 PolarHBondContact O-N 2.74Å
103	L	93.1	Very high	93.3	Very high	85 Å²	85	46.9 Å²	46.9	45%	0.445	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	122.6	173.1	-179	66.3	0	0	0	110.4	F87 K96 F98	F87-L103 HydrophobicContact CD1-CD2 4.49Å; K96-L103 HydrophobicContact CB-CD1 3.87Å; K96-L103 HydrophobicContact CD-CD1 3.94Å; K96-L103 HydrophobicContact CG-CD1 4.37Å; F98-L103 HydrophobicContact CE1-CB 4.34Å; F98-L103 HydrophobicContact CE1-CD1 4.34Å; F98-L103 HydrophobicContact CE2-CD1 4.27Å; F98-L103 HydrophobicContact CZ-CD1 4.08Å
104	D	88.9	Confident	93.2	Very high	23 Å²	23	51.6 Å²	51.6	12%	0.123	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	8.2	-175.9	-163.1	40.8	0	0	0	112.6	I97 R99 D102 R123	I97-D104 HydrophobicContact CB-CB 4.43Å; I97-D104 HydrophobicContact CG2-CB 4.12Å; I97-D104 PolarHBondContact O-N 2.79Å; R99-D104 HydrophobicContact CB-CB 4.03Å; R99-D104 IonicContact CZ-OD2 2.71Å; R99-D104 IonicContact NE-OD2 3.37Å; R99-D104 PolarHBondContact NE-OD2 3.38Å; R99-D104 IonicContact NH2-OD2 3.43Å; D102-D104 PolarHBondContact O-N 2.74Å; D104-R123 PolarHBondContact O-NH2 3.4Å; D104-R123 IonicContact OD1-NH2 3.75Å; D104-R123 IonicContact OD2-CZ 2.91Å; D104-R123 IonicContact OD2-NE 3.48Å; D104-R123 IonicContact OD2-NH2 3.67Å; D104-R123 PolarHBondContact OD2-NH2 3.05Å
105	G	89.6	Confident	92.9	Very high	31 Å²	31	51.1 Å²	51.1	32%	0.32	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	121.7	-169.9	175.5	0	0	0	0	0	114.5	K96 I97	K96-G105 WeakPolarHBondContact CA-O 3.34Å; I97-G105 PolarHBondContact N-O 2.93Å
106	E	92	Very high	92.9	Very high	93 Å²	93	50.9 Å²	50.9	44%	0.435	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	146.9	177.4	-55.3	-158	162.6	0	0	111.3	K96 N108	K96-E106 HydrophobicContact CG-CG 4.3Å; K96-E106 IonicContact NZ-OE1 2.67Å; K96-E106 PolarHBondContact NZ-OE1 2.84Å; E106-N108 PolarHBondContact O-N 2.72Å
107	Y	93.5	Very high	92.8	Very high	12 Å²	12	50.2 Å²	50.2	5%	0.047	28%	0.279	C	S	.	.			trans	-85.8	111.5	171.4	173.4	-94.7	0	0	0	110.1	L38 L95 G109 P110 I116 Y119	L38-Y107 HydrophobicContact CD1-CG 4.34Å; L95-Y107 HydrophobicContact CB-CD1 4.23Å; L95-Y107 HydrophobicContact CB-CG 4.5Å; L95-Y107 HydrophobicContact CD1-CD1 3.48Å; L95-Y107 VanDerWaalsContact CD1-CD1 3.48Å; L95-Y107 HydrophobicContact CD1-CE1 4.03Å; L95-Y107 HydrophobicContact CD1-CG 4.41Å; L95-Y107 HydrophobicContact CG-CD1 4.49Å; L95-Y107 PolarHBondContact O-N 3.42Å; Y107-G109 VanDerWaalsContact CE1-C 3.43Å; Y107-G109 WeakPolarHBondContact CE1-O 3.48Å; Y107-G109 VanDerWaalsContact CZ-C 3.44Å; Y107-G109 VanDerWaalsContact OH-C 3.28Å; Y107-G109 WeakPolarHBondContact OH-CA 3.04Å; Y107-P110 PolarHBondContact OH-O 2.86Å; Y107-I116 HydrophobicContact CE1-CG1 3.88Å; Y107-I116 WeakPolarHBondContact OH-CG1 3.19Å; Y107-I116 PolarHBondContact OH-N 3.1Å; Y107-Y119 AromaticContact CD2-CD1 3.47Å; Y107-Y119 HydrophobicContact CD2-CD1 3.47Å; Y107-Y119 VanDerWaalsContact CD2-CD1 3.47Å; Y107-Y119 AromaticContact CD2-CE1 3.81Å; Y107-Y119 HydrophobicContact CD2-CE1 3.81Å; Y107-Y119 AromaticContact CD2-CG 3.93Å; Y107-Y119 HydrophobicContact CD2-CG 3.93Å; Y107-Y119 AromaticContact CE2-CD1 3.65Å; Y107-Y119 HydrophobicContact CE2-CD1 3.65Å; Y107-Y119 HydrophobicContact CE2-CD2 4.39Å; Y107-Y119 HydrophobicContact CE2-CE1 4.38Å; Y107-Y119 AromaticContact CE2-CG 3.66Å; Y107-Y119 HydrophobicContact CE2-CG 3.66Å
108	N	86.8	Confident	92.5	Very high	143 Å²	143	55.1 Å²	55.1	77%	0.765	31%	0.305	S	S	*	.			trans	-103.8	8.7	178.6	-65.7	-48.5	0	0	0	113.5	E106	E106-N108 PolarHBondContact O-N 2.72Å
109	G	88.3	Confident	92.4	Very high	27 Å²	27	57.2 Å²	57.2	28%	0.278	31%	0.313	S	S	.	.	S	Bend	trans	-77.1	179.2	179.1	0	0	0	0	0	113.9	Y107	Y107-G109 VanDerWaalsContact CE1-C 3.43Å; Y107-G109 WeakPolarHBondContact CE1-O 3.48Å; Y107-G109 VanDerWaalsContact CZ-C 3.44Å; Y107-G109 VanDerWaalsContact OH-C 3.28Å; Y107-G109 WeakPolarHBondContact OH-CA 3.04Å
110	P	90.8	Very high	92.5	Very high	73 Å²	73	56 Å²	56	47%	0.474	31%	0.308	S	S	.	.			trans	-66.2	145.5	-179.5	27.2	-34	0	0	0	112.4	Y107 N112	Y107-P110 PolarHBondContact OH-O 2.86Å; P110-N112 VanDerWaalsContact C-N 3.25Å; P110-N112 PolarHBondContact O-N 3.34Å; P110-N112 VanDerWaalsContact O-N 3.11Å
111	R	95.1	Very high	92.5	Very high	128 Å²	128	53.7 Å²	53.7	48%	0.483	30%	0.296	S	S	.	.	S	Bend	trans	-88	44.8	-176	-68.6	-178	178.5	-173.8	-6.5	113.3	L52 P93	L52-R111 HydrophobicContact CD1-CB 4.06Å; P93-R111 PolarHBondContact O-NH2 3.41Å
112	N	96.6	Very high	91.9	Very high	69 Å²	69	56.6 Å²	56.6	37%	0.369	31%	0.314	S	S	.	.	S	Bend	trans	-124.9	161.9	175.1	67	57.8	0	0	0	111	E55 P110 N114 G115 I116	E55-N112 WeakPolarHBondContact OE2-CA 3.03Å; P110-N112 VanDerWaalsContact C-N 3.25Å; P110-N112 PolarHBondContact O-N 3.34Å; P110-N112 VanDerWaalsContact O-N 3.11Å; N112-N114 PolarHBondContact O-N 2.92Å; N112-N114 PolarHBondContact OD1-N 2.99Å; N112-G115 PolarHBondContact O-N 2.86Å; N112-G115 PolarHBondContact OD1-N 3.13Å; N112-I116 WeakPolarHBondContact O-CG1 3.29Å; N112-I116 PolarHBondContact O-N 3.45Å; N112-I116 VanDerWaalsContact O-N 3.09Å
113	A	97.2	Very high	91.6	Very high	10 Å²	10	52 Å²	52	8%	0.083	29%	0.289	C	S	.	.	H	α-helix	trans	-58.4	-47.6	-170.3	0	0	0	0	0	113.3	E55 A59 I62 A117	E55-A113 WeakPolarHBondContact O-CB 3.27Å; E55-A113 WeakPolarHBondContact OE2-CB 3.25Å; E55-A113 PolarHBondContact OE2-N 3.14Å; A59-A113 WeakPolarHBondContact CB-O 3.29Å; I62-A113 HydrophobicContact CD1-CB 4.26Å; A113-A117 WeakPolarHBondContact O-CB 3.28Å; A113-A117 PolarHBondContact O-N 3.3Å
114	N	94.2	Very high	91	Very high	102 Å²	102	49.4 Å²	49.4	55%	0.545	28%	0.279	S	S	.	.	H	α-helix	trans	-67.2	-42.5	-177.8	-71.2	-26.9	0	0	0	111.8	N112 A117 N118	N112-N114 PolarHBondContact O-N 2.92Å; N112-N114 PolarHBondContact OD1-N 2.99Å; N114-A117 PolarHBondContact O-N 2.86Å; N114-N118 WeakPolarHBondContact O-CB 3.34Å; N114-N118 PolarHBondContact O-N 2.71Å; N114-N118 PolarHBondContact O-ND2 3.41Å
115	G	92.4	Very high	90.4	Very high	15 Å²	15	49.5 Å²	49.5	16%	0.155	29%	0.286	C	S	.	.	H	α-helix	trans	-60	-48.8	177.5	0	0	0	0	0	112.6	N112 Y119	N112-G115 PolarHBondContact O-N 2.86Å; N112-G115 PolarHBondContact OD1-N 3.13Å; G115-Y119 VanDerWaalsContact O-CB 3.27Å; G115-Y119 WeakPolarHBondContact O-CB 3.45Å; G115-Y119 PolarHBondContact O-N 2.97Å; G115-Y119 VanDerWaalsContact O-N 3.08Å
116	I	97.3	Very high	90	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.5	-48.5	177.3	-65.8	167.8	0	0	0	110.3	L38 L52 F56 A59 L72 Y107 N112 Y119 M120	L38-I116 HydrophobicContact CD2-CG2 3.64Å; L52-I116 HydrophobicContact CD1-CD1 3.91Å; F56-I116 HydrophobicContact CD2-CD1 4.18Å; A59-I116 HydrophobicContact CB-CB 3.85Å; A59-I116 HydrophobicContact CB-CG2 3.69Å; L72-I116 HydrophobicContact CD1-CG2 4.16Å; L72-I116 HydrophobicContact CD2-CG2 4.4Å; Y107-I116 HydrophobicContact CE1-CG1 3.88Å; Y107-I116 WeakPolarHBondContact OH-CG1 3.19Å; Y107-I116 PolarHBondContact OH-N 3.1Å; N112-I116 WeakPolarHBondContact O-CG1 3.29Å; N112-I116 PolarHBondContact O-N 3.45Å; N112-I116 VanDerWaalsContact O-N 3.09Å; I116-Y119 PolarHBondContact O-N 2.7Å; I116-M120 HydrophobicContact CG2-CG 4.25Å; I116-M120 WeakPolarHBondContact O-CB 3.46Å; I116-M120 VanDerWaalsContact O-CG 3.27Å; I116-M120 WeakPolarHBondContact O-CG 3.35Å; I116-M120 PolarHBondContact O-N 2.85Å
117	A	95.6	Very high	89.6	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.5	-49.4	-177.7	0	0	0	0	0	112	A59 I62 I63 A113 N114 Y119 M120 I121	A59-A117 HydrophobicContact CB-CB 4.38Å; I62-A117 HydrophobicContact CB-CB 3.83Å; I62-A117 HydrophobicContact CD1-CB 4.24Å; I62-A117 HydrophobicContact CG2-CB 3.58Å; I63-A117 HydrophobicContact CG1-CB 4Å; A113-A117 WeakPolarHBondContact O-CB 3.28Å; A113-A117 PolarHBondContact O-N 3.3Å; N114-A117 PolarHBondContact O-N 2.86Å; A117-Y119 VanDerWaalsContact C-N 3.35Å; A117-Y119 PolarHBondContact O-N 3.35Å; A117-M120 PolarHBondContact O-N 3.08Å; A117-I121 HydrophobicContact CB-CD1 4.42Å; A117-I121 VanDerWaalsContact O-CB 3.27Å; A117-I121 WeakPolarHBondContact O-CB 3.47Å; A117-I121 WeakPolarHBondContact O-CD1 3.49Å; A117-I121 WeakPolarHBondContact O-CG1 3.41Å; A117-I121 PolarHBondContact O-N 3.07Å
118	N	89.2	Confident	89.6	Confident	104 Å²	104	49.9 Å²	49.9	56%	0.556	29%	0.292	S	S	*	.	H	α-helix	trans	-60.6	-46.1	-179.6	-70.4	-13.9	0	0	0	111.2	N114 S122	N114-N118 WeakPolarHBondContact O-CB 3.34Å; N114-N118 PolarHBondContact O-N 2.71Å; N114-N118 PolarHBondContact O-ND2 3.41Å; N118-S122 WeakPolarHBondContact O-CB 3.33Å; N118-S122 PolarHBondContact O-N 2.88Å
119	Y	91.3	Very high	89.8	Confident	46 Å²	46	48.8 Å²	48.8	18%	0.18	28%	0.28	C	S	.	.	H	α-helix	trans	-61.7	-51.7	177.7	-178.9	-88.5	0	0	0	111.3	I97 Y107 G115 I116 A117 I121 S122 R123 D172	I97-Y119 HydrophobicContact CD1-CE1 3.51Å; I97-Y119 HydrophobicContact CG1-CE1 4.46Å; Y107-Y119 AromaticContact CD2-CD1 3.47Å; Y107-Y119 HydrophobicContact CD2-CD1 3.47Å; Y107-Y119 VanDerWaalsContact CD2-CD1 3.47Å; Y107-Y119 AromaticContact CD2-CE1 3.81Å; Y107-Y119 HydrophobicContact CD2-CE1 3.81Å; Y107-Y119 AromaticContact CD2-CG 3.93Å; Y107-Y119 HydrophobicContact CD2-CG 3.93Å; Y107-Y119 AromaticContact CE2-CD1 3.65Å; Y107-Y119 HydrophobicContact CE2-CD1 3.65Å; Y107-Y119 HydrophobicContact CE2-CD2 4.39Å; Y107-Y119 HydrophobicContact CE2-CE1 4.38Å; Y107-Y119 AromaticContact CE2-CG 3.66Å; Y107-Y119 HydrophobicContact CE2-CG 3.66Å; G115-Y119 VanDerWaalsContact O-CB 3.27Å; G115-Y119 WeakPolarHBondContact O-CB 3.45Å; G115-Y119 PolarHBondContact O-N 2.97Å; G115-Y119 VanDerWaalsContact O-N 3.08Å; I116-Y119 PolarHBondContact O-N 2.7Å; A117-Y119 VanDerWaalsContact C-N 3.35Å; A117-Y119 PolarHBondContact O-N 3.35Å; Y119-I121 PolarHBondContact O-N 2.79Å; Y119-S122 WeakPolarHBondContact O-CB 3.14Å; Y119-S122 PolarHBondContact O-N 2.91Å; Y119-S122 VanDerWaalsContact O-N 3.08Å; Y119-S122 PolarHBondContact O-OG 3.28Å; Y119-R123 HydrophobicContact CD1-CG 4.21Å; Y119-R123 HydrophobicContact CE1-CG 3.77Å; Y119-R123 WeakPolarHBondContact O-CG 3.33Å; Y119-R123 PolarHBondContact O-N 2.82Å; Y119-R123 VanDerWaalsContact O-N 3.13Å; Y119-R123 PolarHBondContact OH-NH1 3.28Å; Y119-D172 VanDerWaalsContact CE2-OD1 3.3Å; Y119-D172 WeakPolarHBondContact CE2-OD1 3.46Å; Y119-D172 PolarHBondContact OH-OD1 3.03Å; Y119-D172 PolarHBondContact OH-OD2 3.48Å
120	M	94	Very high	90.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-68.2	-35.8	-176.3	-67.8	-55	-55	0	0	113	V36 L38 I63 V70 L72 I97 I116 A117 S122 R123 A124	V36-M120 HydrophobicContact CG1-CE 3.53Å; L38-M120 HydrophobicContact CB-CE 3.7Å; L38-M120 HydrophobicContact CB-CG 4.16Å; L38-M120 HydrophobicContact CB-SD 3.76Å; L38-M120 HydrophobicContact CD1-SD 4.15Å; L38-M120 HydrophobicContact CD2-CG 3.92Å; L38-M120 HydrophobicContact CD2-SD 4.05Å; L38-M120 HydrophobicContact CG-SD 4.22Å; I63-M120 HydrophobicContact CD1-CB 3.93Å; V70-M120 HydrophobicContact CG1-CB 3.77Å; V70-M120 HydrophobicContact CG1-CE 4.07Å; V70-M120 WeakPolarHBondContact CG2-O 3.44Å; L72-M120 HydrophobicContact CD2-CG 4.38Å; I97-M120 HydrophobicContact CG1-SD 4.17Å; I97-M120 HydrophobicContact CG2-CE 4.23Å; I116-M120 HydrophobicContact CG2-CG 4.25Å; I116-M120 WeakPolarHBondContact O-CB 3.46Å; I116-M120 VanDerWaalsContact O-CG 3.27Å; I116-M120 WeakPolarHBondContact O-CG 3.35Å; I116-M120 PolarHBondContact O-N 2.85Å; A117-M120 PolarHBondContact O-N 3.08Å; M120-S122 VanDerWaalsContact C-N 3.31Å; M120-R123 PolarHBondContact O-N 3.21Å; M120-A124 PolarHBondContact O-N 3.41Å
121	I	90.1	Very high	90.3	Very high	49 Å²	49	49.1 Å²	49.1	25%	0.251	27%	0.268	S	S	.	.	H	α-helix	trans	-62.7	-39.9	170.9	-68.6	162.8	0	0	0	110.3	I62 I63 K66 T67 A117 Y119 R123 A124	I62-I121 HydrophobicContact CG2-CD1 4.41Å; I63-I121 HydrophobicContact CG1-CD1 4.35Å; I63-I121 HydrophobicContact CG1-CG1 4.08Å; K66-I121 HydrophobicContact CB-CD1 3.85Å; K66-I121 HydrophobicContact CB-CG1 4.32Å; K66-I121 HydrophobicContact CG-CD1 3.88Å; T67-I121 HydrophobicContact CG2-CG1 4.45Å; A117-I121 HydrophobicContact CB-CD1 4.42Å; A117-I121 VanDerWaalsContact O-CB 3.27Å; A117-I121 WeakPolarHBondContact O-CB 3.47Å; A117-I121 WeakPolarHBondContact O-CD1 3.49Å; A117-I121 WeakPolarHBondContact O-CG1 3.41Å; A117-I121 PolarHBondContact O-N 3.07Å; Y119-I121 PolarHBondContact O-N 2.79Å; I121-R123 PolarHBondContact O-N 2.84Å; I121-A124 WeakPolarHBondContact O-CB 3.47Å; I121-A124 PolarHBondContact O-N 2.87Å
122	S	82.3	Confident	90.2	Very high	76 Å²	76	45.7 Å²	45.7	53%	0.531	26%	0.264	S	S	.	.	H	α-helix	trans	-65.1	-23	176.6	79.8	0	0	0	0	113.4	N118 Y119 M120	N118-S122 WeakPolarHBondContact O-CB 3.33Å; N118-S122 PolarHBondContact O-N 2.88Å; Y119-S122 WeakPolarHBondContact O-CB 3.14Å; Y119-S122 PolarHBondContact O-N 2.91Å; Y119-S122 VanDerWaalsContact O-N 3.08Å; Y119-S122 PolarHBondContact O-OG 3.28Å; M120-S122 VanDerWaalsContact C-N 3.31Å
123	R	85.4	Confident	90	Very high	7 Å²	7	45.4 Å²	45.4	3%	0.026	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-11.5	173.8	-61.5	-69.8	-78.1	-143.2	0	112.9	V36 R99 D104 Y119 M120 I121 D172	V36-R123 HydrophobicContact CG1-CB 4.22Å; R99-R123 PolarHBondContact NH2-O 3.37Å; R99-R123 VanDerWaalsContact NH2-O 3.12Å; D104-R123 PolarHBondContact O-NH2 3.4Å; D104-R123 IonicContact OD1-NH2 3.75Å; D104-R123 IonicContact OD2-CZ 2.91Å; D104-R123 IonicContact OD2-NE 3.48Å; D104-R123 IonicContact OD2-NH2 3.67Å; D104-R123 PolarHBondContact OD2-NH2 3.05Å; Y119-R123 HydrophobicContact CD1-CG 4.21Å; Y119-R123 HydrophobicContact CE1-CG 3.77Å; Y119-R123 WeakPolarHBondContact O-CG 3.33Å; Y119-R123 PolarHBondContact O-N 2.82Å; Y119-R123 VanDerWaalsContact O-N 3.13Å; Y119-R123 PolarHBondContact OH-NH1 3.28Å; M120-R123 PolarHBondContact O-N 3.21Å; I121-R123 PolarHBondContact O-N 2.84Å; R123-D172 IonicContact CZ-OD1 3.24Å; R123-D172 IonicContact CZ-OD2 3.11Å; R123-D172 IonicContact NH1-OD1 3.56Å; R123-D172 PolarHBondContact NH1-OD1 3.07Å; R123-D172 IonicContact NH1-OD2 3Å; R123-D172 PolarHBondContact NH1-OD2 2.99Å
124	A	81	Confident	89.8	Confident	29 Å²	29	48.3 Å²	48.3	24%	0.24	28%	0.281	C	S	.	.			trans	-68.3	145.5	179.7	0	0	0	0	0	111	T67 V70 M120 I121	T67-A124 HydrophobicContact CG2-CB 4.06Å; V70-A124 HydrophobicContact CG2-CB 3.42Å; V70-A124 VanDerWaalsContact CG2-CB 3.42Å; M120-A124 PolarHBondContact O-N 3.41Å; I121-A124 WeakPolarHBondContact O-CB 3.47Å; I121-A124 PolarHBondContact O-N 2.87Å
125	G	76.9	Confident	89.8	Confident	26 Å²	26	47 Å²	47	27%	0.268	28%	0.28	S	S	.	.	S	Bend	trans	89	-175.3	-178	0	0	0	0	0	113.7	R99	R99-G125 PolarHBondContact NH1-O 2.92Å
126	P	79.9	Confident	89.9	Confident	99 Å²	99	48.8 Å²	48.8	64%	0.643	29%	0.286	S	S	*	.			trans	-68.5	149.2	-177.7	30.8	-35.8	0	0	0	110.6	S128	P126-S128 WeakPolarHBondContact CB-O 3.28Å; P126-S128 VanDerWaalsContact CG-O 3.3Å; P126-S128 WeakPolarHBondContact CG-O 3.48Å; P126-S128 PolarHBondContact O-N 3.31Å
127	V	84.7	Confident	89.7	Confident	41 Å²	41	48.8 Å²	48.8	25%	0.248	29%	0.286	C	S	.	.	S	Bend	trans	-56.9	-24.5	175	-65	0	0	0	0	112.4	M164 A167	V127-M164 HydrophobicContact CG2-SD 4.29Å; V127-A167 HydrophobicContact CB-CB 4.2Å; V127-A167 HydrophobicContact CG2-CB 4.22Å
128	S	92	Very high	89.7	Confident	4 Å²	4	52.6 Å²	52.6	3%	0.028	30%	0.304	C	S	.	.	S	Bend	trans	-134.3	133	169.3	-179.2	0	0	0	0	111.1	P126 F163 F176 C177 H178	P126-S128 WeakPolarHBondContact CB-O 3.28Å; P126-S128 VanDerWaalsContact CG-O 3.3Å; P126-S128 WeakPolarHBondContact CG-O 3.48Å; P126-S128 PolarHBondContact O-N 3.31Å; S128-F163 VanDerWaalsContact OG-CE1 3.25Å; S128-F163 WeakPolarHBondContact OG-CE1 3.33Å; S128-F176 VanDerWaalsContact CA-O 3.25Å; S128-F176 WeakPolarHBondContact CA-O 3.32Å; S128-F176 PolarHBondContact OG-O 2.7Å; S128-C177 VanDerWaalsContact OG-C 3.26Å; S128-C177 VanDerWaalsContact OG-CA 3.26Å; S128-C177 WeakPolarHBondContact OG-CA 3.47Å; S128-C177 PolarHBondContact OG-N 3.22Å; S128-H178 PolarHBondContact OG-N 3.33Å; S128-H178 PolarHBondContact OG-ND1 3.02Å
129	K	92	Very high	89.9	Confident	119 Å²	119	52.7 Å²	52.7	52%	0.517	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	129.2	175.5	-176.8	178.3	176.4	-174.4	0	111	V140 F176 C177 H178	K129-V140 HydrophobicContact CD-CG1 3.91Å; K129-F176 PolarHBondContact N-O 3.24Å; K129-C177 CarbonylContact O-C 3.59Å; K129-C177 WeakPolarHBondContact O-CA 3.34Å; K129-C177 WeakPolarHBondContact O-CB 3.49Å; K129-H178 PolarHBondContact O-N 2.91Å
130	E	94.2	Very high	90	Very high	105 Å²	105	51.6 Å²	51.6	49%	0.491	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	137.7	171.5	-167.9	174.4	-179	0	0	110.7	H178 H180	E130-H178 CarbonylContact C-O 3.44Å; E130-H178 VanDerWaalsContact CA-O 3.3Å; E130-H178 WeakPolarHBondContact CA-O 3.13Å; E130-H180 IonicContact OE1-CD2 3.72Å
131	V	94.6	Very high	90.1	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.012	30%	0.304	C	S	.	.			trans	-126.3	144.9	175	-62.9	0	0	0	0	110.5	D136 V137 V140 F149 C177 H178 S179 L183	V131-D136 HydrophobicContact CB-CB 3.72Å; V131-D136 HydrophobicContact CG1-CB 3.93Å; V131-V137 HydrophobicContact CG2-CG2 4.16Å; V131-V140 HydrophobicContact CG1-CG1 4.12Å; V131-V140 HydrophobicContact CG1-CG2 4.02Å; V131-F149 HydrophobicContact CG1-CE1 4.29Å; V131-F149 HydrophobicContact CG2-CD1 4.06Å; V131-F149 HydrophobicContact CG2-CE1 3.88Å; V131-C177 HydrophobicContact CG1-CB 4.43Å; V131-H178 WeakPolarHBondContact CG2-O 3.48Å; V131-H178 PolarHBondContact N-O 3Å; V131-S179 VanDerWaalsContact O-CB 3.23Å; V131-S179 WeakPolarHBondContact O-CB 3.47Å; V131-S179 PolarHBondContact O-OG 3Å; V131-L183 HydrophobicContact CG2-CD1 4.28Å
132	S	93.2	Very high	90.2	Very high	56 Å²	56	50.7 Å²	50.7	39%	0.392	30%	0.3	S	S	.	.			trans	-123.4	-8.9	-171.2	-54.1	0	0	0	0	114.1	D136 N181 L183	S132-D136 PolarHBondContact N-OD2 2.92Å; S132-N181 PolarHBondContact O-ND2 2.92Å; S132-L183 WeakPolarHBondContact O-CD2 3.15Å
133	T	93.6	Very high	90.8	Very high	64 Å²	64	50.7 Å²	50.7	39%	0.393	29%	0.294	S	S	.	.	S	Bend	trans	-136.8	161.3	178.7	70.4	0	0	0	0	111.9	S135 D136 V137	T133-S135 PolarHBondContact O-N 3Å; T133-S135 PolarHBondContact OG1-N 3.18Å; T133-D136 WeakPolarHBondContact CB-OD2 3.29Å; T133-D136 PolarHBondContact N-OD2 2.93Å; T133-D136 WeakPolarHBondContact O-CB 3.3Å; T133-D136 PolarHBondContact O-N 2.82Å; T133-D136 VanDerWaalsContact O-N 3.15Å; T133-D136 PolarHBondContact OG1-N 3.16Å; T133-D136 VanDerWaalsContact OG1-N 3.11Å; T133-D136 PolarHBondContact OG1-OD1 2.87Å; T133-D136 PolarHBondContact OG1-OD2 3.12Å; T133-V137 PolarHBondContact O-N 3.35Å
134	V	91.7	Very high	91.1	Very high	71 Å²	71	54.1 Å²	54.1	43%	0.43	31%	0.313	S	S	.	.	H	α-helix	trans	-61.3	-33.4	172.5	178.2	0	0	0	0	111.5	D136 V137 E138 L183 F184	V134-D136 VanDerWaalsContact C-N 3.33Å; V134-D136 PolarHBondContact O-N 3.17Å; V134-V137 WeakPolarHBondContact O-CB 3.35Å; V134-V137 PolarHBondContact O-N 3.43Å; V134-E138 PolarHBondContact O-N 3.11Å; V134-L183 HydrophobicContact CG2-CB 4.21Å; V134-L183 VanDerWaalsContact CG2-O 3.26Å; V134-L183 WeakPolarHBondContact CG2-O 3.43Å; V134-F184 HydrophobicContact CG1-CE1 3.99Å; V134-F184 HydrophobicContact CG1-CZ 4.31Å; V134-F184 HydrophobicContact CG2-CE1 4.06Å; V134-F184 HydrophobicContact CG2-CZ 4.39Å
135	S	93.8	Very high	91.7	Very high	73 Å²	73	55.4 Å²	55.4	51%	0.51	31%	0.313	S	S	.	.	H	α-helix	trans	-63.1	-40.5	174.8	-174	0	0	0	0	111.5	T133 V137 E138 N139	T133-S135 PolarHBondContact O-N 3Å; T133-S135 PolarHBondContact OG1-N 3.18Å; S135-V137 VanDerWaalsContact C-N 3.3Å; S135-V137 PolarHBondContact O-N 3.02Å; S135-E138 PolarHBondContact O-N 3.43Å; S135-N139 WeakPolarHBondContact O-CB 3.36Å; S135-N139 PolarHBondContact O-N 3.26Å; S135-N139 PolarHBondContact O-ND2 2.89Å; S135-N139 PolarHBondContact OG-ND2 2.87Å
136	D	94.3	Very high	92.7	Very high	53 Å²	53	54.1 Å²	54.1	28%	0.283	30%	0.3	S	S	.	.	H	α-helix	trans	-61.1	-40.8	176.7	-60.8	-38.7	0	0	0	111.6	V131 S132 T133 V134 E138 N139 V140	V131-D136 HydrophobicContact CB-CB 3.72Å; V131-D136 HydrophobicContact CG1-CB 3.93Å; S132-D136 PolarHBondContact N-OD2 2.92Å; T133-D136 WeakPolarHBondContact CB-OD2 3.29Å; T133-D136 PolarHBondContact N-OD2 2.93Å; T133-D136 WeakPolarHBondContact O-CB 3.3Å; T133-D136 PolarHBondContact O-N 2.82Å; T133-D136 VanDerWaalsContact O-N 3.15Å; T133-D136 PolarHBondContact OG1-N 3.16Å; T133-D136 VanDerWaalsContact OG1-N 3.11Å; T133-D136 PolarHBondContact OG1-OD1 2.87Å; T133-D136 PolarHBondContact OG1-OD2 3.12Å; V134-D136 VanDerWaalsContact C-N 3.33Å; V134-D136 PolarHBondContact O-N 3.17Å; D136-E138 VanDerWaalsContact C-N 3.33Å; D136-E138 PolarHBondContact O-N 3.06Å; D136-N139 PolarHBondContact O-N 3.43Å; D136-V140 WeakPolarHBondContact O-CG1 3.44Å; D136-V140 WeakPolarHBondContact O-CG2 3.48Å; D136-V140 PolarHBondContact O-N 2.8Å
137	V	94.5	Very high	93.5	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	27%	0.27	C	S	.	.	H	α-helix	trans	-53.6	-51.9	176.4	175.4	0	0	0	0	109.9	V131 T133 V134 S135 N139 V140 L141 F149 F151 L183 F184 Y195	V131-V137 HydrophobicContact CG2-CG2 4.16Å; T133-V137 PolarHBondContact O-N 3.35Å; V134-V137 WeakPolarHBondContact O-CB 3.35Å; V134-V137 PolarHBondContact O-N 3.43Å; S135-V137 VanDerWaalsContact C-N 3.3Å; S135-V137 PolarHBondContact O-N 3.02Å; V137-N139 PolarHBondContact O-N 2.94Å; V137-V140 WeakPolarHBondContact O-CG2 3.36Å; V137-L141 WeakPolarHBondContact O-CG 3.24Å; V137-F149 HydrophobicContact CB-CE1 4.22Å; V137-F149 HydrophobicContact CB-CZ 4.2Å; V137-F149 HydrophobicContact CG1-CE1 4.02Å; V137-F149 HydrophobicContact CG1-CE2 3.99Å; V137-F149 HydrophobicContact CG1-CZ 3.68Å; V137-F149 HydrophobicContact CG2-CD1 4.41Å; V137-F149 HydrophobicContact CG2-CE1 4.01Å; V137-F149 HydrophobicContact CG2-CZ 4.48Å; V137-F151 HydrophobicContact CG2-CE1 4.12Å; V137-F151 HydrophobicContact CG2-CZ 4.32Å; V137-L183 HydrophobicContact CG2-CD1 3.8Å; V137-F184 HydrophobicContact CG1-CZ 4.38Å; V137-F184 HydrophobicContact CG2-CE2 4.3Å; V137-F184 HydrophobicContact CG2-CZ 4.29Å; V137-Y195 HydrophobicContact CG1-CE2 4.2Å
138	E	94.4	Very high	94.1	Very high	79 Å²	79	47.5 Å²	47.5	37%	0.369	26%	0.258	S	S	.	.	H	α-helix	trans	-66.7	-35.9	-179.8	-72.5	-61.7	128	0	0	113.5	V134 S135 D136 K198 R201	V134-E138 PolarHBondContact O-N 3.11Å; S135-E138 PolarHBondContact O-N 3.43Å; D136-E138 VanDerWaalsContact C-N 3.33Å; D136-E138 PolarHBondContact O-N 3.06Å; E138-K198 WeakPolarHBondContact O-CE 3.49Å; E138-K198 PolarHBondContact O-NZ 2.91Å; E138-R201 IonicContact OE1-CZ 2.81Å; E138-R201 IonicContact OE1-NH1 2.88Å; E138-R201 PolarHBondContact OE1-NH1 2.86Å; E138-R201 IonicContact OE1-NH2 3.72Å; E138-R201 PolarHBondContact OE1-NH2 3.16Å; E138-R201 VanDerWaalsContact OE1-NH2 3.09Å; E138-R201 IonicContact OE2-CZ 3.81Å; E138-R201 IonicContact OE2-NH1 3.87Å; E138-R201 PolarHBondContact OE2-NH1 3.22Å; E138-R201 IonicContact OE2-NH2 3.98Å
139	N	94.7	Very high	94.4	Very high	107 Å²	107	47.3 Å²	47.3	57%	0.572	26%	0.257	S	S	*	.	H	α-helix	trans	-68.8	-35.6	-178.4	-71.1	-31.5	0	0	0	112.7	S135 D136 V137 K198	S135-N139 WeakPolarHBondContact O-CB 3.36Å; S135-N139 PolarHBondContact O-N 3.26Å; S135-N139 PolarHBondContact O-ND2 2.89Å; S135-N139 PolarHBondContact OG-ND2 2.87Å; D136-N139 PolarHBondContact O-N 3.43Å; V137-N139 PolarHBondContact O-N 2.94Å; N139-K198 PolarHBondContact O-NZ 3.38Å
140	V	93.3	Very high	94.5	Very high	22 Å²	22	41.7 Å²	41.7	13%	0.133	23%	0.232	C	C	.	.	H	α-helix	trans	-87.3	-8.6	-175.2	-57.6	0	0	0	0	114.6	K129 V131 D136 V137 S142 F149 C177	K129-V140 HydrophobicContact CD-CG1 3.91Å; V131-V140 HydrophobicContact CG1-CG1 4.12Å; V131-V140 HydrophobicContact CG1-CG2 4.02Å; D136-V140 WeakPolarHBondContact O-CG1 3.44Å; D136-V140 WeakPolarHBondContact O-CG2 3.48Å; D136-V140 PolarHBondContact O-N 2.8Å; V137-V140 WeakPolarHBondContact O-CG2 3.36Å; V140-S142 PolarHBondContact O-N 2.71Å; V140-F149 HydrophobicContact CG2-CE1 3.77Å; V140-F149 HydrophobicContact CG2-CZ 3.43Å; V140-F149 VanDerWaalsContact CG2-CZ 3.43Å; V140-C177 HydrophobicContact CG2-CB 4.46Å; V140-C177 VanDerWaalsContact CG2-SG 3.58Å
141	L	95.3	Very high	94.6	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.031	21%	0.212	C	C	.	.			trans	-56.7	130.6	176.3	-65.9	168.5	0	0	0	110.9	V137 T147 F149 Y195 K198	V137-L141 WeakPolarHBondContact O-CG 3.24Å; L141-T147 HydrophobicContact CD2-CG2 4.18Å; L141-F149 HydrophobicContact CD2-CE2 3.81Å; L141-F149 HydrophobicContact CD2-CZ 4.35Å; L141-Y195 VanDerWaalsContact CD2-CB 3.47Å; L141-Y195 HydrophobicContact CD2-CD1 4.19Å; L141-Y195 HydrophobicContact CD2-CD2 4.29Å; L141-Y195 HydrophobicContact CD2-CG 3.74Å; L141-K198 HydrophobicContact CB-CD 4.38Å; L141-K198 VanDerWaalsContact CB-CE 3.45Å; L141-K198 HydrophobicContact CB-CG 4Å; L141-K198 WeakPolarHBondContact O-CE 3.47Å; L141-K198 PolarHBondContact O-NZ 3.2Å; L141-K198 VanDerWaalsContact O-NZ 3.11Å
142	S	93.6	Very high	94.5	Very high	25 Å²	25	37.5 Å²	37.5	18%	0.175	21%	0.212	C	C	.	.			trans	-69.8	149.8	174.9	-157.3	0	0	0	0	111	V140 D144 K145 T147 K198	V140-S142 PolarHBondContact O-N 2.71Å; S142-D144 PolarHBondContact OG-OD1 2.96Å; S142-K145 WeakPolarHBondContact CB-O 3.33Å; S142-T147 PolarHBondContact N-OG1 2.83Å; S142-T147 VanDerWaalsContact N-OG1 3.09Å; S142-K198 PolarHBondContact O-N 3.49Å
143	D	93.2	Very high	94.1	Very high	75 Å²	75	40 Å²	40	40%	0.401	22%	0.216	S	C	.	.	S	Bend	trans	-73	-35.3	174.3	-171.1	64.3	0	0	0	112.2	P197 K198 R199	D143-P197 VanDerWaalsContact O-CB 3.25Å; D143-P197 WeakPolarHBondContact O-CB 3.5Å; D143-K198 PolarHBondContact O-N 2.88Å; D143-R199 WeakPolarHBondContact O-CB 3.36Å; D143-R199 WeakPolarHBondContact O-CD 3.12Å; D143-R199 WeakPolarHBondContact O-CG 3.46Å; D143-R199 PolarHBondContact O-N 3.49Å; D143-R199 PolarHBondContact O-NE 3.45Å; D143-R199 VanDerWaalsContact O-NE 3.14Å; D143-R199 IonicContact OD2-CZ 3.88Å; D143-R199 IonicContact OD2-NE 2.66Å; D143-R199 PolarHBondContact OD2-NE 3.28Å; D143-R199 IonicContact OD2-NH2 2.69Å; D143-R199 PolarHBondContact OD2-NH2 2.84Å
144	D	92	Very high	93.9	Very high	80 Å²	80	39.3 Å²	39.3	43%	0.428	21%	0.214	S	C	.	.	S	Bend	trans	-121.5	-9.3	-168.4	65	-16.5	0	0	0	115.3	S142	S142-D144 PolarHBondContact OG-OD1 2.96Å
145	K	94	Very high	93.6	Very high	55 Å²	55	40 Å²	40	24%	0.239	22%	0.222	C	C	.	.	S	Bend	trans	-121.1	148.7	180	-65.8	-173.7	-172.2	-166.6	0	111.8	S142 D172 V175	S142-K145 WeakPolarHBondContact CB-O 3.33Å; K145-D172 WeakPolarHBondContact CE-O 3.36Å; K145-D172 PolarHBondContact NZ-O 2.93Å; K145-V175 HydrophobicContact CB-CG2 4.46Å
146	P	97.3	Very high	93.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.232	C	C	.	.			trans	-59	146.9	167.3	20.3	-27.6	0	0	0	110.6	A174 V175 V194 Y195 G228 Y242	P146-A174 HydrophobicContact CB-CB 4.47Å; P146-A174 HydrophobicContact CG-CB 3.93Å; P146-A174 WeakPolarHBondContact O-CA 3.38Å; P146-A174 WeakPolarHBondContact O-CB 3.32Å; P146-V175 PolarHBondContact O-N 3.28Å; P146-V194 HydrophobicContact CB-CG2 3.75Å; P146-Y195 VanDerWaalsContact CA-O 3.28Å; P146-Y195 WeakPolarHBondContact CA-O 3.35Å; P146-G228 WeakPolarHBondContact CB-O 3.34Å; P146-Y242 WeakPolarHBondContact CG-OH 3.32Å
147	T	97.6	Very high	93.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	117.3	174.3	-50.2	0	0	0	0	109.6	L141 S142 F149 V175 Y195	L141-T147 HydrophobicContact CD2-CG2 4.18Å; S142-T147 PolarHBondContact N-OG1 2.83Å; S142-T147 VanDerWaalsContact N-OG1 3.09Å; T147-F149 HydrophobicContact CG2-CD2 3.97Å; T147-F149 HydrophobicContact CG2-CE2 3.3Å; T147-F149 HydrophobicContact CG2-CZ 3.77Å; T147-V175 CarbonylContact C-O 3.5Å; T147-V175 VanDerWaalsContact CA-O 3.28Å; T147-V175 WeakPolarHBondContact CA-O 3.5Å; T147-V175 HydrophobicContact CG2-CB 4.08Å; T147-V175 HydrophobicContact CG2-CG1 4.03Å; T147-Y195 PolarHBondContact N-O 2.87Å; T147-Y195 PolarHBondContact O-N 2.55Å
148	V	97.6	Very high	93.2	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	125	-178.2	-169.7	0	0	0	0	109.2	F163 A174 V175 F176 C177 L192 R193 V194 I224	V148-F163 HydrophobicContact CB-CE2 4.4Å; V148-F163 HydrophobicContact CG1-CD2 4.46Å; V148-F163 HydrophobicContact CG1-CE2 3.97Å; V148-A174 HydrophobicContact CG2-CB 3.94Å; V148-V175 PolarHBondContact N-O 3.45Å; V148-F176 HydrophobicContact CB-CD1 3.86Å; V148-F176 HydrophobicContact CB-CE1 3.86Å; V148-F176 HydrophobicContact CB-CG 4.5Å; V148-F176 HydrophobicContact CB-CZ 4.49Å; V148-F176 HydrophobicContact CG1-CD1 4.28Å; V148-F176 HydrophobicContact CG1-CE1 4.11Å; V148-F176 HydrophobicContact CG2-CD1 4.41Å; V148-F176 HydrophobicContact CG2-CE1 3.99Å; V148-F176 HydrophobicContact CG2-CZ 4.17Å; V148-F176 WeakPolarHBondContact O-CA 3.32Å; V148-C177 PolarHBondContact O-N 3.29Å; V148-L192 HydrophobicContact CG1-CD1 3.75Å; V148-L192 HydrophobicContact CG1-CG 4.34Å; V148-R193 CarbonylContact C-O 3.52Å; V148-R193 VanDerWaalsContact CA-O 3.27Å; V148-R193 WeakPolarHBondContact CA-O 3.32Å; V148-V194 HydrophobicContact CG2-CB 4.49Å; V148-V194 HydrophobicContact CG2-CG2 4.1Å; V148-I224 HydrophobicContact CG1-CD1 4.22Å; V148-I224 HydrophobicContact CG1-CG1 4.47Å; V148-I224 HydrophobicContact CG2-CD1 3.9Å; V148-I224 HydrophobicContact CG2-CG1 3.94Å; V148-I224 HydrophobicContact CG2-CG2 4.06Å
149	F	96.9	Very high	93.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.9	177.1	-71.1	-98.6	0	0	0	111.9	V131 V137 V140 L141 T147 F151 C177 L192 R193 Y195	V131-F149 HydrophobicContact CG1-CE1 4.29Å; V131-F149 HydrophobicContact CG2-CD1 4.06Å; V131-F149 HydrophobicContact CG2-CE1 3.88Å; V137-F149 HydrophobicContact CB-CE1 4.22Å; V137-F149 HydrophobicContact CB-CZ 4.2Å; V137-F149 HydrophobicContact CG1-CE1 4.02Å; V137-F149 HydrophobicContact CG1-CE2 3.99Å; V137-F149 HydrophobicContact CG1-CZ 3.68Å; V137-F149 HydrophobicContact CG2-CD1 4.41Å; V137-F149 HydrophobicContact CG2-CE1 4.01Å; V137-F149 HydrophobicContact CG2-CZ 4.48Å; V140-F149 HydrophobicContact CG2-CE1 3.77Å; V140-F149 HydrophobicContact CG2-CZ 3.43Å; V140-F149 VanDerWaalsContact CG2-CZ 3.43Å; L141-F149 HydrophobicContact CD2-CE2 3.81Å; L141-F149 HydrophobicContact CD2-CZ 4.35Å; T147-F149 HydrophobicContact CG2-CD2 3.97Å; T147-F149 HydrophobicContact CG2-CE2 3.3Å; T147-F149 HydrophobicContact CG2-CZ 3.77Å; F149-F151 HydrophobicContact CB-CD2 4.22Å; F149-F151 HydrophobicContact CB-CE1 4.28Å; F149-F151 HydrophobicContact CB-CE2 3.41Å; F149-F151 VanDerWaalsContact CB-CE2 3.41Å; F149-F151 HydrophobicContact CB-CZ 3.43Å; F149-F151 VanDerWaalsContact CB-CZ 3.43Å; F149-F151 HydrophobicContact CD1-CE1 4.29Å; F149-F151 AromaticContact CD1-CZ 3.93Å; F149-F151 HydrophobicContact CD1-CZ 3.93Å; F149-F151 HydrophobicContact CG-CE2 4.24Å; F149-F151 AromaticContact CG-CZ 3.79Å; F149-F151 HydrophobicContact CG-CZ 3.79Å; F149-C177 VanDerWaalsContact CA-O 3.22Å; F149-C177 WeakPolarHBondContact CA-O 3.3Å; F149-C177 HydrophobicContact CD1-CB 3.41Å; F149-C177 VanDerWaalsContact CD1-CB 3.41Å; F149-C177 HydrophobicContact CE1-CB 3.3Å; F149-C177 HydrophobicContact CG-CB 4.14Å; F149-C177 HydrophobicContact CZ-CB 3.98Å; F149-L192 CarbonylContact O-C 3.49Å; F149-L192 WeakPolarHBondContact O-CA 3.43Å; F149-R193 PolarHBondContact N-O 3.17Å; F149-R193 PolarHBondContact O-N 3.16Å; F149-Y195 AromaticContact CD2-CD2 3.45Å; F149-Y195 HydrophobicContact CD2-CD2 3.45Å; F149-Y195 VanDerWaalsContact CD2-CD2 3.45Å; F149-Y195 AromaticContact CD2-CE2 3.6Å; F149-Y195 HydrophobicContact CD2-CE2 3.6Å; F149-Y195 AromaticContact CE2-CD2 3.69Å; F149-Y195 HydrophobicContact CE2-CD2 3.69Å; F149-Y195 AromaticContact CE2-CE2 3.97Å; F149-Y195 HydrophobicContact CE2-CE2 3.97Å; F149-Y195 HydrophobicContact CE2-CG 4.46Å; F149-Y195 HydrophobicContact CG-CE2 4.32Å
150	A	96	Very high	93.1	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	114.8	161.3	0	0	0	0	0	110	V152 I160 F163 C177 H178 S179 L192	A150-V152 HydrophobicContact CB-CG1 4.5Å; A150-I160 HydrophobicContact CB-CD1 4.36Å; A150-F163 HydrophobicContact CB-CB 4.2Å; A150-F163 HydrophobicContact CB-CD1 3.98Å; A150-F163 HydrophobicContact CB-CD2 3.58Å; A150-F163 HydrophobicContact CB-CE1 4.23Å; A150-F163 HydrophobicContact CB-CE2 3.84Å; A150-F163 HydrophobicContact CB-CG 3.64Å; A150-F163 HydrophobicContact CB-CZ 4.18Å; A150-C177 PolarHBondContact N-O 2.86Å; A150-H178 HydrophobicContact CB-CB 4.35Å; A150-H178 CarbonylContact O-C 3.59Å; A150-H178 WeakPolarHBondContact O-CA 3.32Å; A150-H178 WeakPolarHBondContact O-CB 3.37Å; A150-S179 PolarHBondContact O-N 2.91Å; A150-L192 HydrophobicContact CB-CD1 4.17Å
151	F	94.4	Very high	93.1	Very high	16 Å²	16	44 Å²	44	7%	0.07	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	111	168.4	-54.7	-80.4	0	0	0	107.2	V137 F149 L183 F184 N190 E191 R193	V137-F151 HydrophobicContact CG2-CE1 4.12Å; V137-F151 HydrophobicContact CG2-CZ 4.32Å; F149-F151 HydrophobicContact CB-CD2 4.22Å; F149-F151 HydrophobicContact CB-CE1 4.28Å; F149-F151 HydrophobicContact CB-CE2 3.41Å; F149-F151 VanDerWaalsContact CB-CE2 3.41Å; F149-F151 HydrophobicContact CB-CZ 3.43Å; F149-F151 VanDerWaalsContact CB-CZ 3.43Å; F149-F151 HydrophobicContact CD1-CE1 4.29Å; F149-F151 AromaticContact CD1-CZ 3.93Å; F149-F151 HydrophobicContact CD1-CZ 3.93Å; F149-F151 HydrophobicContact CG-CE2 4.24Å; F149-F151 AromaticContact CG-CZ 3.79Å; F149-F151 HydrophobicContact CG-CZ 3.79Å; F151-L183 HydrophobicContact CD1-CB 4.5Å; F151-L183 HydrophobicContact CD1-CD1 4.32Å; F151-L183 HydrophobicContact CE1-CB 4.49Å; F151-L183 HydrophobicContact CE1-CD1 3.98Å; F151-F184 HydrophobicContact CD1-CD2 4.38Å; F151-F184 HydrophobicContact CD1-CE2 4.41Å; F151-F184 HydrophobicContact CE1-CD2 4.06Å; F151-F184 AromaticContact CE1-CE2 3.66Å; F151-F184 HydrophobicContact CE1-CE2 3.66Å; F151-F184 HydrophobicContact CE2-CD2 4.4Å; F151-F184 HydrophobicContact CE2-CE2 4.2Å; F151-F184 HydrophobicContact CZ-CD2 4.08Å; F151-F184 AromaticContact CZ-CE2 3.54Å; F151-F184 HydrophobicContact CZ-CE2 3.54Å; F151-N190 CarbonylContact O-C 3.57Å; F151-N190 WeakPolarHBondContact O-CA 3.33Å; F151-E191 PolarHBondContact N-O 3.11Å; F151-E191 PolarHBondContact O-N 2.93Å; F151-R193 HydrophobicContact CD2-CG 4.42Å; F151-R193 HydrophobicContact CE2-CB 4.23Å; F151-R193 HydrophobicContact CE2-CG 3.93Å
152	V	92.8	Very high	93.1	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.018	25%	0.249	C	C	.	.			trans	-135.5	120.7	-172.1	-78.6	0	0	0	0	111.5	A150 S154 L159 I160 S179 H180 N190	A150-V152 HydrophobicContact CB-CG1 4.5Å; V152-S154 VanDerWaalsContact C-N 3.29Å; V152-S154 PolarHBondContact O-N 3.5Å; V152-L159 HydrophobicContact CG1-CB 4.07Å; V152-L159 HydrophobicContact CG1-CD2 3.71Å; V152-L159 HydrophobicContact CG1-CG 3.97Å; V152-I160 HydrophobicContact CG2-CB 4.24Å; V152-I160 HydrophobicContact CG2-CD1 3.78Å; V152-I160 HydrophobicContact CG2-CG1 4.2Å; V152-S179 PolarHBondContact N-O 3.02Å; V152-H180 VanDerWaalsContact O-CA 3.27Å; V152-H180 WeakPolarHBondContact O-CA 3.47Å; V152-H180 PolarHBondContact O-ND1 3.4Å; V152-N190 VanDerWaalsContact CA-OD1 3.31Å; V152-N190 WeakPolarHBondContact CA-OD1 3.36Å; V152-N190 HydrophobicContact CG1-CB 4.22Å
153	K	86.3	Confident	93.1	Very high	109 Å²	109	43.7 Å²	43.7	47%	0.474	24%	0.241	S	C	.	.	S	Bend	trans	-66.2	-30.2	-178.9	-71.3	179.2	-175.9	-178.6	0	113.9	D189 N190	K153-D189 HydrophobicContact CD-CB 4.06Å; K153-D189 WeakPolarHBondContact CG-O 3.5Å; K153-D189 IonicContact NZ-OD1 3.02Å; K153-D189 PolarHBondContact NZ-OD1 2.85Å; K153-N190 PolarHBondContact N-OD1 3.45Å
154	S	87.5	Confident	93.1	Very high	50 Å²	50	43 Å²	43	35%	0.35	24%	0.236	S	C	.	.			trans	-123.9	135.2	-177.7	-176.9	0	0	0	0	111.6	V152 S156 D157	V152-S154 VanDerWaalsContact C-N 3.29Å; V152-S154 PolarHBondContact O-N 3.5Å; S154-S156 PolarHBondContact O-N 3.1Å; S154-S156 PolarHBondContact OG-N 3.2Å; S154-S156 PolarHBondContact OG-OG 2.78Å; S154-D157 WeakPolarHBondContact O-CB 3.34Å; S154-D157 PolarHBondContact O-N 3.12Å; S154-D157 VanDerWaalsContact O-N 3.16Å
155	S	86.8	Confident	93.1	Very high	84 Å²	84	41.8 Å²	41.8	59%	0.587	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-8.3	171.5	-43.7	0	0	0	0	113.4	I160 H180	S155-I160 VanDerWaalsContact O-CG2 3.31Å; S155-I160 WeakPolarHBondContact O-CG2 3.39Å; S155-H180 PolarHBondContact OG-CE1 3.22Å; S155-H180 VanDerWaalsContact OG-CE1 3.25Å; S155-H180 PolarHBondContact OG-NE2 3.13Å
156	S	89	Confident	93.1	Very high	103 Å²	103	39.3 Å²	39.3	72%	0.72	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-2.9	173.1	65	0	0	0	0	114.2	S154	S154-S156 PolarHBondContact O-N 3.1Å; S154-S156 PolarHBondContact OG-N 3.2Å; S154-S156 PolarHBondContact OG-OG 2.78Å
157	D	92	Very high	92.9	Very high	37 Å²	37	39.3 Å²	39.3	20%	0.198	23%	0.227	C	C	.	.	S	Bend	trans	-66.1	137.3	-175.9	-166	-86.3	0	0	0	112.1	S154 L159 I160 N190	S154-D157 WeakPolarHBondContact O-CB 3.34Å; S154-D157 PolarHBondContact O-N 3.12Å; S154-D157 VanDerWaalsContact O-N 3.16Å; D157-L159 PolarHBondContact O-N 2.97Å; D157-L159 VanDerWaalsContact O-N 3.09Å; D157-L159 WeakPolarHBondContact OD1-CB 3.45Å; D157-L159 PolarHBondContact OD1-N 2.82Å; D157-I160 WeakPolarHBondContact O-CG2 3.46Å; D157-I160 PolarHBondContact O-N 3.32Å; D157-I160 VanDerWaalsContact O-N 3.08Å; D157-N190 PolarHBondContact OD2-ND2 2.7Å
158	P	93	Very high	92.4	Very high	86 Å²	86	44.2 Å²	44.2	56%	0.558	25%	0.248	S	C	*	.	H	α-helix	trans	-53.9	-32	177.8	-27.2	35.6	0	0	0	114.1	I160 K161 T162 L215	P158-I160 VanDerWaalsContact C-N 3.34Å; P158-I160 PolarHBondContact O-N 3.21Å; P158-K161 PolarHBondContact O-N 3.11Å; P158-T162 PolarHBondContact O-N 3.24Å; P158-T162 PolarHBondContact O-OG1 2.83Å; P158-L215 HydrophobicContact CB-CD1 4.28Å
159	L	93.8	Very high	92	Very high	9 Å²	9	47.7 Å²	47.7	5%	0.047	27%	0.272	C	S	.	.	H	α-helix	trans	-59	-42.9	178.1	176	58.6	0	0	0	111.7	V152 D157 K161 T162 F163 N190 L192 L215	V152-L159 HydrophobicContact CG1-CB 4.07Å; V152-L159 HydrophobicContact CG1-CD2 3.71Å; V152-L159 HydrophobicContact CG1-CG 3.97Å; D157-L159 PolarHBondContact O-N 2.97Å; D157-L159 VanDerWaalsContact O-N 3.09Å; D157-L159 WeakPolarHBondContact OD1-CB 3.45Å; D157-L159 PolarHBondContact OD1-N 2.82Å; L159-K161 VanDerWaalsContact C-N 3.29Å; L159-K161 PolarHBondContact O-N 3.2Å; L159-T162 PolarHBondContact O-N 2.91Å; L159-F163 WeakPolarHBondContact O-CB 3.39Å; L159-F163 PolarHBondContact O-N 3.02Å; L159-N190 HydrophobicContact CD2-CB 4.1Å; L159-L192 HydrophobicContact CD1-CB 4.32Å; L159-L215 HydrophobicContact CB-CD1 4.25Å; L159-L215 HydrophobicContact CD1-CD2 3.71Å
160	I	93.4	Very high	91.7	Very high	16 Å²	16	47.8 Å²	47.8	8%	0.082	27%	0.273	C	S	.	.	H	α-helix	trans	-66.8	-34.9	-176.6	-158.5	57.1	0	0	0	111.3	A150 V152 S155 D157 P158 F163 M164 H178	A150-I160 HydrophobicContact CB-CD1 4.36Å; V152-I160 HydrophobicContact CG2-CB 4.24Å; V152-I160 HydrophobicContact CG2-CD1 3.78Å; V152-I160 HydrophobicContact CG2-CG1 4.2Å; S155-I160 VanDerWaalsContact O-CG2 3.31Å; S155-I160 WeakPolarHBondContact O-CG2 3.39Å; D157-I160 WeakPolarHBondContact O-CG2 3.46Å; D157-I160 PolarHBondContact O-N 3.32Å; D157-I160 VanDerWaalsContact O-N 3.08Å; P158-I160 VanDerWaalsContact C-N 3.34Å; P158-I160 PolarHBondContact O-N 3.21Å; I160-F163 HydrophobicContact CD1-CD1 3.89Å; I160-M164 HydrophobicContact CD1-CE 4.01Å; I160-M164 HydrophobicContact CG1-CE 4.25Å; I160-M164 HydrophobicContact CG1-CG 4.42Å; I160-M164 WeakPolarHBondContact O-CB 2.98Å; I160-M164 WeakPolarHBondContact O-CG 3.22Å; I160-M164 PolarHBondContact O-N 3Å; I160-H178 HydrophobicContact CD1-CB 3.88Å
161	K	92.7	Very high	91.3	Very high	169 Å²	169	49 Å²	49	74%	0.735	28%	0.28	S	S	*	.	H	α-helix	trans	-65.3	-49.8	176.6	-174.9	-179.1	177.3	-176.7	0	111.4	P158 L159 F163 M164 A165	P158-K161 PolarHBondContact O-N 3.11Å; L159-K161 VanDerWaalsContact C-N 3.29Å; L159-K161 PolarHBondContact O-N 3.2Å; K161-F163 VanDerWaalsContact C-N 3.34Å; K161-M164 PolarHBondContact O-N 3.42Å; K161-A165 PolarHBondContact O-N 3.38Å
162	T	94.5	Very high	90.8	Very high	24 Å²	24	51.6 Å²	51.6	15%	0.147	30%	0.295	C	S	.	.	H	α-helix	trans	-62.9	-42.7	177.1	-60.5	0	0	0	0	111	P158 L159 M164 A165 L166 I220	P158-T162 PolarHBondContact O-N 3.24Å; P158-T162 PolarHBondContact O-OG1 2.83Å; L159-T162 PolarHBondContact O-N 2.91Å; T162-M164 PolarHBondContact O-N 3.19Å; T162-A165 PolarHBondContact O-N 3.39Å; T162-L166 HydrophobicContact CG2-CD1 4.05Å; T162-L166 WeakPolarHBondContact O-CG 3.2Å; T162-L166 PolarHBondContact O-N 3.22Å; T162-I220 HydrophobicContact CG2-CD1 3.81Å
163	F	95.5	Very high	90.7	Very high	1 Å²	1	52.4 Å²	52.4	0%	0.004	30%	0.299	C	S	.	.	H	α-helix	trans	-60.2	-45.1	177.3	172.9	-93.8	0	0	0	112.8	S128 V148 A150 L159 I160 K161 A165 L166 A167 F176 C177 H178 L192	S128-F163 VanDerWaalsContact OG-CE1 3.25Å; S128-F163 WeakPolarHBondContact OG-CE1 3.33Å; V148-F163 HydrophobicContact CB-CE2 4.4Å; V148-F163 HydrophobicContact CG1-CD2 4.46Å; V148-F163 HydrophobicContact CG1-CE2 3.97Å; A150-F163 HydrophobicContact CB-CB 4.2Å; A150-F163 HydrophobicContact CB-CD1 3.98Å; A150-F163 HydrophobicContact CB-CD2 3.58Å; A150-F163 HydrophobicContact CB-CE1 4.23Å; A150-F163 HydrophobicContact CB-CE2 3.84Å; A150-F163 HydrophobicContact CB-CG 3.64Å; A150-F163 HydrophobicContact CB-CZ 4.18Å; L159-F163 WeakPolarHBondContact O-CB 3.39Å; L159-F163 PolarHBondContact O-N 3.02Å; I160-F163 HydrophobicContact CD1-CD1 3.89Å; K161-F163 VanDerWaalsContact C-N 3.34Å; F163-A165 VanDerWaalsContact C-N 3.35Å; F163-A165 PolarHBondContact O-N 2.83Å; F163-L166 WeakPolarHBondContact O-CB 3.16Å; F163-L166 PolarHBondContact O-N 2.98Å; F163-A167 WeakPolarHBondContact O-CB 3.19Å; F163-A167 PolarHBondContact O-N 3.35Å; F163-F176 HydrophobicContact CD2-CD1 4.18Å; F163-F176 HydrophobicContact CE1-CB 4.45Å; F163-F176 HydrophobicContact CE2-CB 4.42Å; F163-F176 AromaticContact CE2-CD1 3.56Å; F163-F176 HydrophobicContact CE2-CD1 3.56Å; F163-F176 HydrophobicContact CE2-CE1 4.36Å; F163-F176 HydrophobicContact CE2-CG 4.47Å; F163-F176 HydrophobicContact CZ-CB 3.81Å; F163-F176 AromaticContact CZ-CD1 3.77Å; F163-F176 HydrophobicContact CZ-CD1 3.77Å; F163-F176 HydrophobicContact CZ-CG 4.3Å; F163-C177 WeakPolarHBondContact CZ-O 3.43Å; F163-H178 HydrophobicContact CE1-CB 4Å; F163-L192 HydrophobicContact CD2-CD1 3.65Å; F163-L192 HydrophobicContact CE2-CD1 4.12Å
164	M	92.8	Very high	91.1	Very high	61 Å²	61	47.4 Å²	47.4	30%	0.3	28%	0.278	S	S	.	.	H	α-helix	trans	-66.2	-36.9	178.3	-70.8	-67	-177.1	0	0	112.2	V127 I160 K161 T162 A167 K168	V127-M164 HydrophobicContact CG2-SD 4.29Å; I160-M164 HydrophobicContact CD1-CE 4.01Å; I160-M164 HydrophobicContact CG1-CE 4.25Å; I160-M164 HydrophobicContact CG1-CG 4.42Å; I160-M164 WeakPolarHBondContact O-CB 2.98Å; I160-M164 WeakPolarHBondContact O-CG 3.22Å; I160-M164 PolarHBondContact O-N 3Å; K161-M164 PolarHBondContact O-N 3.42Å; T162-M164 PolarHBondContact O-N 3.19Å; M164-A167 PolarHBondContact O-N 3.4Å; M164-K168 PolarHBondContact O-N 2.95Å; M164-K168 VanDerWaalsContact O-N 3.09Å
165	A	91.9	Very high	91.4	Very high	54 Å²	54	47.3 Å²	47.3	45%	0.446	28%	0.275	S	S	.	.	H	α-helix	trans	-64	-42	173.2	0	0	0	0	0	111.6	K161 T162 F163 K168 S169	K161-A165 PolarHBondContact O-N 3.38Å; T162-A165 PolarHBondContact O-N 3.39Å; F163-A165 VanDerWaalsContact C-N 3.35Å; F163-A165 PolarHBondContact O-N 2.83Å; A165-K168 PolarHBondContact O-N 3.34Å; A165-S169 PolarHBondContact O-N 3.3Å; A165-S169 VanDerWaalsContact O-N 3.12Å; A165-S169 PolarHBondContact O-OG 2.61Å
166	L	93.9	Very high	91.8	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-62.6	-47.4	174.3	-75.3	165.1	0	0	0	111.8	T162 F163 K168 S169 M170 F176 S217 I220 K221	T162-L166 HydrophobicContact CG2-CD1 4.05Å; T162-L166 WeakPolarHBondContact O-CG 3.2Å; T162-L166 PolarHBondContact O-N 3.22Å; F163-L166 WeakPolarHBondContact O-CB 3.16Å; F163-L166 PolarHBondContact O-N 2.98Å; L166-K168 VanDerWaalsContact C-N 3.26Å; L166-K168 PolarHBondContact O-N 2.98Å; L166-S169 CarbonylContact O-C 3.6Å; L166-S169 PolarHBondContact O-N 3.46Å; L166-S169 PolarHBondContact O-OG 2.85Å; L166-M170 HydrophobicContact CD2-SD 4.1Å; L166-M170 WeakPolarHBondContact O-CB 3.44Å; L166-M170 PolarHBondContact O-N 3.29Å; L166-F176 HydrophobicContact CB-CE1 4.26Å; L166-S217 WeakPolarHBondContact CD2-O 3.45Å; L166-I220 HydrophobicContact CD1-CB 3.66Å; L166-I220 HydrophobicContact CD1-CD1 3.87Å; L166-I220 HydrophobicContact CD1-CG1 4.38Å; L166-I220 HydrophobicContact CD1-CG2 3.43Å; L166-I220 VanDerWaalsContact CD1-CG2 3.43Å; L166-K221 HydrophobicContact CD2-CB 4.21Å
167	A	93.2	Very high	92.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-54.4	-42.4	177.1	0	0	0	0	0	111.9	V127 F163 M164 V171 F176	V127-A167 HydrophobicContact CB-CB 4.2Å; V127-A167 HydrophobicContact CG2-CB 4.22Å; F163-A167 WeakPolarHBondContact O-CB 3.19Å; F163-A167 PolarHBondContact O-N 3.35Å; M164-A167 PolarHBondContact O-N 3.4Å; A167-V171 WeakPolarHBondContact O-CB 3.3Å; A167-V171 PolarHBondContact O-N 3Å; A167-F176 HydrophobicContact CB-CB 3.63Å; A167-F176 HydrophobicContact CB-CD1 3.65Å; A167-F176 HydrophobicContact CB-CD2 3.96Å; A167-F176 HydrophobicContact CB-CE1 4.31Å; A167-F176 HydrophobicContact CB-CG 3.46Å; A167-F176 VanDerWaalsContact CB-CG 3.46Å
168	K	87.3	Confident	92.3	Very high	102 Å²	102	38 Å²	38	44%	0.443	21%	0.21	S	C	.	.	H	α-helix	trans	-64.3	-39.7	174.3	-174.8	175.4	178.5	177.3	0	112.6	M164 A165 L166 V171	M164-K168 PolarHBondContact O-N 2.95Å; M164-K168 VanDerWaalsContact O-N 3.09Å; A165-K168 PolarHBondContact O-N 3.34Å; L166-K168 VanDerWaalsContact C-N 3.26Å; L166-K168 PolarHBondContact O-N 2.98Å; K168-V171 WeakPolarHBondContact O-CG1 3.38Å
169	S	88.3	Confident	92.4	Very high	75 Å²	75	33.9 Å²	33.9	52%	0.524	18%	0.183	S	C	.	.	H	α-helix	trans	-84.1	-16.4	-176.3	70.8	0	0	0	0	115.4	A165 L166	A165-S169 PolarHBondContact O-N 3.3Å; A165-S169 VanDerWaalsContact O-N 3.12Å; A165-S169 PolarHBondContact O-OG 2.61Å; L166-S169 CarbonylContact O-C 3.6Å; L166-S169 PolarHBondContact O-N 3.46Å; L166-S169 PolarHBondContact O-OG 2.85Å
170	M	91.5	Very high	92.3	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	19%	0.191	C	C	.	.	S	Bend	trans	-126	17.2	-172.1	-65.4	-173.6	70.8	0	0	113	L166 D172 D173 A174 F176 K221 I224	L166-M170 HydrophobicContact CD2-SD 4.1Å; L166-M170 WeakPolarHBondContact O-CB 3.44Å; L166-M170 PolarHBondContact O-N 3.29Å; M170-D172 PolarHBondContact O-N 3.05Å; M170-D172 VanDerWaalsContact O-N 3.16Å; M170-D173 HydrophobicContact CB-CB 4.29Å; M170-D173 HydrophobicContact CE-CB 4.13Å; M170-D173 WeakPolarHBondContact O-CA 3.2Å; M170-D173 WeakPolarHBondContact O-CB 3.35Å; M170-D173 PolarHBondContact O-N 2.9Å; M170-A174 PolarHBondContact O-N 2.66Å; M170-F176 HydrophobicContact CB-CE2 3.75Å; M170-F176 HydrophobicContact CB-CZ 3.66Å; M170-F176 HydrophobicContact SD-CZ 4.41Å; M170-K221 HydrophobicContact CE-CG 3.92Å; M170-K221 HydrophobicContact SD-CB 3.86Å; M170-K221 HydrophobicContact SD-CD 4.15Å; M170-K221 HydrophobicContact SD-CG 3.65Å; M170-I224 HydrophobicContact CE-CB 4.07Å; M170-I224 HydrophobicContact CE-CD1 4.23Å; M170-I224 HydrophobicContact CE-CG2 3.76Å; M170-I224 HydrophobicContact SD-CD1 3.98Å
171	V	86.4	Confident	92.1	Very high	26 Å²	26	38.6 Å²	38.6	16%	0.158	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-25.8	-178.9	47.4	0	0	0	0	113.5	A167 K168	A167-V171 WeakPolarHBondContact O-CB 3.3Å; A167-V171 PolarHBondContact O-N 3Å; K168-V171 WeakPolarHBondContact O-CG1 3.38Å
172	D	84.3	Confident	91.7	Very high	70 Å²	70	35.6 Å²	35.6	37%	0.374	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-28.4	172.8	-67	-52.4	0	0	0	112.7	Y119 R123 K145 M170	Y119-D172 VanDerWaalsContact CE2-OD1 3.3Å; Y119-D172 WeakPolarHBondContact CE2-OD1 3.46Å; Y119-D172 PolarHBondContact OH-OD1 3.03Å; Y119-D172 PolarHBondContact OH-OD2 3.48Å; R123-D172 IonicContact CZ-OD1 3.24Å; R123-D172 IonicContact CZ-OD2 3.11Å; R123-D172 IonicContact NH1-OD1 3.56Å; R123-D172 PolarHBondContact NH1-OD1 3.07Å; R123-D172 IonicContact NH1-OD2 3Å; R123-D172 PolarHBondContact NH1-OD2 2.99Å; K145-D172 WeakPolarHBondContact CE-O 3.36Å; K145-D172 PolarHBondContact NZ-O 2.93Å; M170-D172 PolarHBondContact O-N 3.05Å; M170-D172 VanDerWaalsContact O-N 3.16Å
173	D	90.9	Very high	91.2	Very high	21 Å²	21	35.8 Å²	35.8	11%	0.112	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-50	-175.4	-60.2	15.6	0	0	0	110.5	M170 R225 F241 Y242	M170-D173 HydrophobicContact CB-CB 4.29Å; M170-D173 HydrophobicContact CE-CB 4.13Å; M170-D173 WeakPolarHBondContact O-CA 3.2Å; M170-D173 WeakPolarHBondContact O-CB 3.35Å; M170-D173 PolarHBondContact O-N 2.9Å; D173-R225 IonicContact OD2-NE 3.85Å; D173-R225 IonicContact OD2-NH2 3.61Å; D173-R225 PolarHBondContact OD2-NH2 3.16Å; D173-F241 HydrophobicContact CB-CE2 3.8Å; D173-F241 HydrophobicContact CB-CZ 3.82Å; D173-F241 VanDerWaalsContact CG-CZ 3.46Å; D173-F241 WeakPolarHBondContact OD1-CZ 3.28Å; D173-F241 WeakPolarHBondContact OD2-CE2 3.47Å; D173-Y242 WeakPolarHBondContact CB-OH 3.46Å; D173-Y242 PolarHBondContact O-OH 2.85Å
174	A	93.9	Very high	90.6	Very high	3 Å²	3	38 Å²	38	3%	0.025	21%	0.209	C	C	.	.			trans	-137	158.9	-171.3	0	0	0	0	0	113.1	P146 V148 M170 F176 I224	P146-A174 HydrophobicContact CB-CB 4.47Å; P146-A174 HydrophobicContact CG-CB 3.93Å; P146-A174 WeakPolarHBondContact O-CA 3.38Å; P146-A174 WeakPolarHBondContact O-CB 3.32Å; V148-A174 HydrophobicContact CG2-CB 3.94Å; M170-A174 PolarHBondContact O-N 2.66Å; A174-F176 HydrophobicContact CB-CD2 4.4Å; A174-F176 HydrophobicContact CB-CE2 3.73Å; A174-F176 HydrophobicContact CB-CZ 4.12Å; A174-F176 WeakPolarHBondContact O-CD2 3.45Å; A174-F176 WeakPolarHBondContact O-CE2 3.49Å; A174-I224 HydrophobicContact CB-CG2 4.38Å
175	V	94	Very high	89.5	Confident	49 Å²	49	42.5 Å²	42.5	30%	0.297	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	133.8	168.4	177.2	0	0	0	0	108.8	K145 P146 T147 V148	K145-V175 HydrophobicContact CB-CG2 4.46Å; P146-V175 PolarHBondContact O-N 3.28Å; T147-V175 CarbonylContact C-O 3.5Å; T147-V175 VanDerWaalsContact CA-O 3.28Å; T147-V175 WeakPolarHBondContact CA-O 3.5Å; T147-V175 HydrophobicContact CG2-CB 4.08Å; T147-V175 HydrophobicContact CG2-CG1 4.03Å; V148-V175 PolarHBondContact N-O 3.45Å
176	F	95.9	Very high	88.2	Confident	8 Å²	8	41.5 Å²	41.5	4%	0.035	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	133.8	-178.6	-71.2	-99.4	0	0	0	110.7	S128 K129 V148 F163 L166 A167 M170 A174 I224	S128-F176 VanDerWaalsContact CA-O 3.25Å; S128-F176 WeakPolarHBondContact CA-O 3.32Å; S128-F176 PolarHBondContact OG-O 2.7Å; K129-F176 PolarHBondContact N-O 3.24Å; V148-F176 HydrophobicContact CB-CD1 3.86Å; V148-F176 HydrophobicContact CB-CE1 3.86Å; V148-F176 HydrophobicContact CB-CG 4.5Å; V148-F176 HydrophobicContact CB-CZ 4.49Å; V148-F176 HydrophobicContact CG1-CD1 4.28Å; V148-F176 HydrophobicContact CG1-CE1 4.11Å; V148-F176 HydrophobicContact CG2-CD1 4.41Å; V148-F176 HydrophobicContact CG2-CE1 3.99Å; V148-F176 HydrophobicContact CG2-CZ 4.17Å; V148-F176 WeakPolarHBondContact O-CA 3.32Å; F163-F176 HydrophobicContact CD2-CD1 4.18Å; F163-F176 HydrophobicContact CE1-CB 4.45Å; F163-F176 HydrophobicContact CE2-CB 4.42Å; F163-F176 AromaticContact CE2-CD1 3.56Å; F163-F176 HydrophobicContact CE2-CD1 3.56Å; F163-F176 HydrophobicContact CE2-CE1 4.36Å; F163-F176 HydrophobicContact CE2-CG 4.47Å; F163-F176 HydrophobicContact CZ-CB 3.81Å; F163-F176 AromaticContact CZ-CD1 3.77Å; F163-F176 HydrophobicContact CZ-CD1 3.77Å; F163-F176 HydrophobicContact CZ-CG 4.3Å; L166-F176 HydrophobicContact CB-CE1 4.26Å; A167-F176 HydrophobicContact CB-CB 3.63Å; A167-F176 HydrophobicContact CB-CD1 3.65Å; A167-F176 HydrophobicContact CB-CD2 3.96Å; A167-F176 HydrophobicContact CB-CE1 4.31Å; A167-F176 HydrophobicContact CB-CG 3.46Å; A167-F176 VanDerWaalsContact CB-CG 3.46Å; M170-F176 HydrophobicContact CB-CE2 3.75Å; M170-F176 HydrophobicContact CB-CZ 3.66Å; M170-F176 HydrophobicContact SD-CZ 4.41Å; A174-F176 HydrophobicContact CB-CD2 4.4Å; A174-F176 HydrophobicContact CB-CE2 3.73Å; A174-F176 HydrophobicContact CB-CZ 4.12Å; A174-F176 WeakPolarHBondContact O-CD2 3.45Å; A174-F176 WeakPolarHBondContact O-CE2 3.49Å; F176-I224 HydrophobicContact CE1-CD1 4.26Å; F176-I224 HydrophobicContact CZ-CD1 4.29Å
177	C	96.1	Very high	86.7	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.007	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	152.9	176.8	-68	0	0	0	0	110.3	S128 K129 V131 V140 V148 F149 A150 F163	S128-C177 VanDerWaalsContact OG-C 3.26Å; S128-C177 VanDerWaalsContact OG-CA 3.26Å; S128-C177 WeakPolarHBondContact OG-CA 3.47Å; S128-C177 PolarHBondContact OG-N 3.22Å; K129-C177 CarbonylContact O-C 3.59Å; K129-C177 WeakPolarHBondContact O-CA 3.34Å; K129-C177 WeakPolarHBondContact O-CB 3.49Å; V131-C177 HydrophobicContact CG1-CB 4.43Å; V140-C177 HydrophobicContact CG2-CB 4.46Å; V140-C177 VanDerWaalsContact CG2-SG 3.58Å; V148-C177 PolarHBondContact O-N 3.29Å; F149-C177 VanDerWaalsContact CA-O 3.22Å; F149-C177 WeakPolarHBondContact CA-O 3.3Å; F149-C177 HydrophobicContact CD1-CB 3.41Å; F149-C177 VanDerWaalsContact CD1-CB 3.41Å; F149-C177 HydrophobicContact CE1-CB 3.3Å; F149-C177 HydrophobicContact CG-CB 4.14Å; F149-C177 HydrophobicContact CZ-CB 3.98Å; A150-C177 PolarHBondContact N-O 2.86Å; F163-C177 WeakPolarHBondContact CZ-O 3.43Å
178	H	95.7	Very high	85.5	Confident	18 Å²	18	50.6 Å²	50.6	8%	0.083	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	159.6	175	63.3	-76.1	0	0	0	111	S128 K129 E130 V131 A150 I160 F163 H180	S128-H178 PolarHBondContact OG-N 3.33Å; S128-H178 PolarHBondContact OG-ND1 3.02Å; K129-H178 PolarHBondContact O-N 2.91Å; E130-H178 CarbonylContact C-O 3.44Å; E130-H178 VanDerWaalsContact CA-O 3.3Å; E130-H178 WeakPolarHBondContact CA-O 3.13Å; V131-H178 WeakPolarHBondContact CG2-O 3.48Å; V131-H178 PolarHBondContact N-O 3Å; A150-H178 HydrophobicContact CB-CB 4.35Å; A150-H178 CarbonylContact O-C 3.59Å; A150-H178 WeakPolarHBondContact O-CA 3.32Å; A150-H178 WeakPolarHBondContact O-CB 3.37Å; I160-H178 HydrophobicContact CD1-CB 3.88Å; F163-H178 HydrophobicContact CE1-CB 4Å; H178-H180 AromaticContact CD2-NE2 3.94Å
179	S	94.7	Very high	85.1	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	138.8	174.6	-165	0	0	0	0	110.5	V131 A150 V152 N181 L183	V131-S179 VanDerWaalsContact O-CB 3.23Å; V131-S179 WeakPolarHBondContact O-CB 3.47Å; V131-S179 PolarHBondContact O-OG 3Å; A150-S179 PolarHBondContact O-N 2.91Å; V152-S179 PolarHBondContact N-O 3.02Å; S179-N181 PolarHBondContact OG-N 3.22Å; S179-L183 WeakPolarHBondContact OG-CD1 3.49Å
180	H	92.3	Very high	85.2	Confident	48 Å²	48	49.4 Å²	49.4	22%	0.222	28%	0.281	C	S	.	.	S	Bend	trans	-93.5	-3.9	167.2	-66.7	-57.3	0	0	0	113.7	E130 V152 S155 H178	E130-H180 IonicContact OE1-CD2 3.72Å; V152-H180 VanDerWaalsContact O-CA 3.27Å; V152-H180 WeakPolarHBondContact O-CA 3.47Å; V152-H180 PolarHBondContact O-ND1 3.4Å; S155-H180 PolarHBondContact OG-CE1 3.22Å; S155-H180 VanDerWaalsContact OG-CE1 3.25Å; S155-H180 PolarHBondContact OG-NE2 3.13Å; H178-H180 AromaticContact CD2-NE2 3.94Å
181	N	88.3	Confident	85.3	Confident	77 Å²	77	50.4 Å²	50.4	41%	0.412	29%	0.285	S	S	.	.	S	Bend	trans	-90.1	145.5	178.3	-71	-5.8	0	0	0	110.6	S132 S179 L183	S132-N181 PolarHBondContact O-ND2 2.92Å; S179-N181 PolarHBondContact OG-N 3.22Å; N181-L183 HydrophobicContact CB-CD2 3.54Å; N181-L183 HydrophobicContact CB-CG 4.07Å; N181-L183 PolarHBondContact O-N 2.94Å
182	N	83.2	Confident	85.7	Confident	106 Å²	106	49.5 Å²	49.5	57%	0.567	28%	0.28	S	S	*	.			trans	-77.1	76.1	170.8	-167	19.2	0	0	0	109.9	F184	N182-F184 VanDerWaalsContact C-N 3.31Å; N182-F184 PolarHBondContact O-N 3.04Å; N182-F184 PolarHBondContact OD1-O 2.83Å
183	L	85.9	Confident	86.3	Confident	27 Å²	27	46.9 Å²	46.9	14%	0.141	26%	0.264	C	S	.	.			trans	-71.9	-25.8	-173.7	-61.6	-171.4	0	0	0	113.4	V131 S132 V134 V137 F151 S179 N181	V131-L183 HydrophobicContact CG2-CD1 4.28Å; S132-L183 WeakPolarHBondContact O-CD2 3.15Å; V134-L183 HydrophobicContact CG2-CB 4.21Å; V134-L183 VanDerWaalsContact CG2-O 3.26Å; V134-L183 WeakPolarHBondContact CG2-O 3.43Å; V137-L183 HydrophobicContact CG2-CD1 3.8Å; F151-L183 HydrophobicContact CD1-CB 4.5Å; F151-L183 HydrophobicContact CD1-CD1 4.32Å; F151-L183 HydrophobicContact CE1-CB 4.49Å; F151-L183 HydrophobicContact CE1-CD1 3.98Å; S179-L183 WeakPolarHBondContact OG-CD1 3.49Å; N181-L183 HydrophobicContact CB-CD2 3.54Å; N181-L183 HydrophobicContact CB-CG 4.07Å; N181-L183 PolarHBondContact O-N 2.94Å
184	F	82	Confident	86.6	Confident	48 Å²	48	45.9 Å²	45.9	21%	0.211	26%	0.259	C	S	.	.	S	Bend	trans	-130.4	137.8	-177.5	-57.2	-73.9	0	0	0	109.4	V134 V137 F151 N182 T186	V134-F184 HydrophobicContact CG1-CE1 3.99Å; V134-F184 HydrophobicContact CG1-CZ 4.31Å; V134-F184 HydrophobicContact CG2-CE1 4.06Å; V134-F184 HydrophobicContact CG2-CZ 4.39Å; V137-F184 HydrophobicContact CG1-CZ 4.38Å; V137-F184 HydrophobicContact CG2-CE2 4.3Å; V137-F184 HydrophobicContact CG2-CZ 4.29Å; F151-F184 HydrophobicContact CD1-CD2 4.38Å; F151-F184 HydrophobicContact CD1-CE2 4.41Å; F151-F184 HydrophobicContact CE1-CD2 4.06Å; F151-F184 AromaticContact CE1-CE2 3.66Å; F151-F184 HydrophobicContact CE1-CE2 3.66Å; F151-F184 HydrophobicContact CE2-CD2 4.4Å; F151-F184 HydrophobicContact CE2-CE2 4.2Å; F151-F184 HydrophobicContact CZ-CD2 4.08Å; F151-F184 AromaticContact CZ-CE2 3.54Å; F151-F184 HydrophobicContact CZ-CE2 3.54Å; N182-F184 VanDerWaalsContact C-N 3.31Å; N182-F184 PolarHBondContact O-N 3.04Å; N182-F184 PolarHBondContact OD1-O 2.83Å; F184-T186 VanDerWaalsContact C-N 3.29Å; F184-T186 HydrophobicContact CB-CG2 3.94Å; F184-T186 PolarHBondContact O-N 3.2Å
185	V	69.2	Low	86.8	Confident	156 Å²	156	46.1 Å²	46.1	95%	0.945	26%	0.259	S	S	*	.			trans	-70.4	91.8	170.4	-175.3	0	0	0	0	107.5
186	T	65	Low	86.9	Confident	33 Å²	33	44 Å²	44	20%	0.202	25%	0.246	C	C	.	.			trans	-111.6	149.2	176.3	55.1	0	0	0	0	109.5	F184 S188 R193	F184-T186 VanDerWaalsContact C-N 3.29Å; F184-T186 HydrophobicContact CB-CG2 3.94Å; F184-T186 PolarHBondContact O-N 3.2Å; T186-S188 PolarHBondContact O-N 2.96Å; T186-S188 PolarHBondContact OG1-O 3.49Å; T186-S188 VanDerWaalsContact OG1-O 3.14Å; T186-R193 VanDerWaalsContact CG2-NH2 3.31Å
187	P	61.6	Low	87	Confident	143 Å²	143	43.6 Å²	43.6	93%	0.929	25%	0.245	S	C	*	.	S	Bend	trans	-65.5	-26.1	177.8	-20.1	31.9	0	0	0	113.2
188	S	69	Low	86.9	Confident	51 Å²	51	47.6 Å²	47.6	36%	0.357	26%	0.262	S	S	.	.	S	Bend	trans	-95.7	142	-178.1	52.5	0	0	0	0	111.4	T186 N190	T186-S188 PolarHBondContact O-N 2.96Å; T186-S188 PolarHBondContact OG1-O 3.49Å; T186-S188 VanDerWaalsContact OG1-O 3.14Å; S188-N190 WeakPolarHBondContact CB-O 3.38Å; S188-N190 PolarHBondContact O-N 2.95Å; S188-N190 PolarHBondContact OG-O 2.78Å
189	D	79.7	Confident	86.8	Confident	109 Å²	109	50 Å²	50	58%	0.583	27%	0.27	S	S	*	.	S	Bend	trans	-64.2	-31.7	179	-76.3	-27	0	0	0	113	K153	K153-D189 HydrophobicContact CD-CB 4.06Å; K153-D189 WeakPolarHBondContact CG-O 3.5Å; K153-D189 IonicContact NZ-OD1 3.02Å; K153-D189 PolarHBondContact NZ-OD1 2.85Å
190	N	90	Very high	86.8	Confident	43 Å²	43	50.1 Å²	50.1	23%	0.23	27%	0.271	C	S	.	.	S	Bend	trans	-130.7	148.4	177.8	-53.7	-45.1	0	0	0	110	F151 V152 K153 D157 L159 S188	F151-N190 CarbonylContact O-C 3.57Å; F151-N190 WeakPolarHBondContact O-CA 3.33Å; V152-N190 VanDerWaalsContact CA-OD1 3.31Å; V152-N190 WeakPolarHBondContact CA-OD1 3.36Å; V152-N190 HydrophobicContact CG1-CB 4.22Å; K153-N190 PolarHBondContact N-OD1 3.45Å; D157-N190 PolarHBondContact OD2-ND2 2.7Å; L159-N190 HydrophobicContact CD2-CB 4.1Å; S188-N190 WeakPolarHBondContact CB-O 3.38Å; S188-N190 PolarHBondContact O-N 2.95Å; S188-N190 PolarHBondContact OG-O 2.78Å
191	E	92.6	Very high	86.9	Confident	22 Å²	22	49.8 Å²	49.8	10%	0.103	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	140.6	-177	-164.7	175.2	77.3	0	0	111.6	F151 R193 V210	F151-E191 PolarHBondContact N-O 3.11Å; F151-E191 PolarHBondContact O-N 2.93Å; E191-R193 HydrophobicContact CG-CG 4.41Å; E191-R193 IonicContact OE1-CZ 2.79Å; E191-R193 IonicContact OE1-NE 3.68Å; E191-R193 PolarHBondContact OE1-NE 2.87Å; E191-R193 IonicContact OE1-NH2 3.88Å; E191-R193 PolarHBondContact OE1-NH2 3Å; E191-V210 HydrophobicContact CG-CG1 3.57Å
192	L	95.4	Very high	87.1	Confident	7 Å²	7	46.9 Å²	46.9	4%	0.037	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.5	171.6	-175.5	75	0	0	0	109.2	V148 F149 A150 L159 F163 Y211 I220 W223	V148-L192 HydrophobicContact CG1-CD1 3.75Å; V148-L192 HydrophobicContact CG1-CG 4.34Å; F149-L192 CarbonylContact O-C 3.49Å; F149-L192 WeakPolarHBondContact O-CA 3.43Å; A150-L192 HydrophobicContact CB-CD1 4.17Å; L159-L192 HydrophobicContact CD1-CB 4.32Å; F163-L192 HydrophobicContact CD2-CD1 3.65Å; F163-L192 HydrophobicContact CE2-CD1 4.12Å; L192-Y211 HydrophobicContact CD2-CD1 4.27Å; L192-Y211 HydrophobicContact CD2-CG 4.21Å; L192-Y211 PolarHBondContact O-N 3.08Å; L192-I220 HydrophobicContact CD2-CD1 4.3Å; L192-I220 HydrophobicContact CD2-CG1 4.3Å; L192-I220 HydrophobicContact CD2-CG2 3.48Å; L192-I220 VanDerWaalsContact CD2-CG2 3.48Å; L192-W223 HydrophobicContact CD2-CZ3 4Å; L192-W223 HydrophobicContact CG-CZ3 4.17Å
193	R	96	Very high	87.6	Confident	15 Å²	15	50.3 Å²	50.3	6%	0.057	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	147.2	176.7	-64.7	-171.4	-176.5	170.6	9.6	111.4	V148 F149 F151 T186 E191 Y195 F208 A209 V210	V148-R193 CarbonylContact C-O 3.52Å; V148-R193 VanDerWaalsContact CA-O 3.27Å; V148-R193 WeakPolarHBondContact CA-O 3.32Å; F149-R193 PolarHBondContact N-O 3.17Å; F149-R193 PolarHBondContact O-N 3.16Å; F151-R193 HydrophobicContact CD2-CG 4.42Å; F151-R193 HydrophobicContact CE2-CB 4.23Å; F151-R193 HydrophobicContact CE2-CG 3.93Å; T186-R193 VanDerWaalsContact CG2-NH2 3.31Å; E191-R193 HydrophobicContact CG-CG 4.41Å; E191-R193 IonicContact OE1-CZ 2.79Å; E191-R193 IonicContact OE1-NE 3.68Å; E191-R193 PolarHBondContact OE1-NE 2.87Å; E191-R193 IonicContact OE1-NH2 3.88Å; E191-R193 PolarHBondContact OE1-NH2 3Å; R193-Y195 HydrophobicContact CB-CD2 4.15Å; R193-Y195 HydrophobicContact CB-CE2 3.78Å; R193-Y195 WeakPolarHBondContact CD-OH 3.14Å; R193-Y195 HydrophobicContact CG-CE2 4.42Å; R193-Y195 PolarHBondContact NH1-OH 3.17Å; R193-Y195 VanDerWaalsContact NH1-OH 3.08Å; R193-F208 HydrophobicContact CB-CD2 4.39Å; R193-F208 HydrophobicContact CG-CD2 3.99Å; R193-F208 HydrophobicContact CG-CE2 4.34Å; R193-A209 VanDerWaalsContact CA-O 3.3Å; R193-A209 WeakPolarHBondContact CA-O 3.15Å; R193-V210 HydrophobicContact CG-CG2 4.28Å
194	V	97.8	Very high	87.9	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	116.9	163.2	63.8	0	0	0	0	108	P146 V148 F208 A209 W223 H227	P146-V194 HydrophobicContact CB-CG2 3.75Å; V148-V194 HydrophobicContact CG2-CB 4.49Å; V148-V194 HydrophobicContact CG2-CG2 4.1Å; V194-F208 CarbonylContact O-C 3.54Å; V194-F208 WeakPolarHBondContact O-CA 3.17Å; V194-F208 VanDerWaalsContact O-CB 3.27Å; V194-F208 WeakPolarHBondContact O-CB 3.39Å; V194-A209 HydrophobicContact CG1-CB 4.04Å; V194-A209 PolarHBondContact N-O 2.89Å; V194-A209 PolarHBondContact O-N 2.87Å; V194-W223 HydrophobicContact CB-CH2 3.72Å; V194-W223 HydrophobicContact CB-CZ2 4.38Å; V194-W223 HydrophobicContact CB-CZ3 3.87Å; V194-W223 HydrophobicContact CG1-CE3 4.38Å; V194-W223 HydrophobicContact CG1-CH2 3.43Å; V194-W223 VanDerWaalsContact CG1-CH2 3.43Å; V194-W223 HydrophobicContact CG1-CZ2 3.59Å; V194-W223 HydrophobicContact CG1-CZ3 3.84Å; V194-H227 HydrophobicContact CG1-CB 3.74Å
195	Y	97.9	Very high	88.5	Confident	7 Å²	7	50.4 Å²	50.4	3%	0.027	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	143.2	175.7	-73.2	-98	0	0	0	110.4	V137 L141 P146 T147 F149 R193 R201 D207 F208	V137-Y195 HydrophobicContact CG1-CE2 4.2Å; L141-Y195 VanDerWaalsContact CD2-CB 3.47Å; L141-Y195 HydrophobicContact CD2-CD1 4.19Å; L141-Y195 HydrophobicContact CD2-CD2 4.29Å; L141-Y195 HydrophobicContact CD2-CG 3.74Å; P146-Y195 VanDerWaalsContact CA-O 3.28Å; P146-Y195 WeakPolarHBondContact CA-O 3.35Å; T147-Y195 PolarHBondContact N-O 2.87Å; T147-Y195 PolarHBondContact O-N 2.55Å; F149-Y195 AromaticContact CD2-CD2 3.45Å; F149-Y195 HydrophobicContact CD2-CD2 3.45Å; F149-Y195 VanDerWaalsContact CD2-CD2 3.45Å; F149-Y195 AromaticContact CD2-CE2 3.6Å; F149-Y195 HydrophobicContact CD2-CE2 3.6Å; F149-Y195 AromaticContact CE2-CD2 3.69Å; F149-Y195 HydrophobicContact CE2-CD2 3.69Å; F149-Y195 AromaticContact CE2-CE2 3.97Å; F149-Y195 HydrophobicContact CE2-CE2 3.97Å; F149-Y195 HydrophobicContact CE2-CG 4.46Å; F149-Y195 HydrophobicContact CG-CE2 4.32Å; R193-Y195 HydrophobicContact CB-CD2 4.15Å; R193-Y195 HydrophobicContact CB-CE2 3.78Å; R193-Y195 WeakPolarHBondContact CD-OH 3.14Å; R193-Y195 HydrophobicContact CG-CE2 4.42Å; R193-Y195 PolarHBondContact NH1-OH 3.17Å; R193-Y195 VanDerWaalsContact NH1-OH 3.08Å; Y195-R201 VanDerWaalsContact CD1-NH2 3.3Å; Y195-D207 WeakPolarHBondContact CA-O 3.38Å; Y195-F208 HydrophobicContact CD1-CB 3.57Å; Y195-F208 AromaticContact CD1-CD1 3.97Å; Y195-F208 HydrophobicContact CD1-CD1 3.97Å; Y195-F208 HydrophobicContact CD1-CG 4.12Å; Y195-F208 HydrophobicContact CD2-CB 4.09Å; Y195-F208 HydrophobicContact CE1-CB 3.81Å; Y195-F208 AromaticContact CE1-CD1 3.44Å; Y195-F208 HydrophobicContact CE1-CD1 3.44Å; Y195-F208 VanDerWaalsContact CE1-CD1 3.44Å; Y195-F208 HydrophobicContact CE1-CE1 4.24Å; Y195-F208 AromaticContact CE1-CG 3.82Å; Y195-F208 HydrophobicContact CE1-CG 3.82Å; Y195-F208 HydrophobicContact CE2-CB 4.31Å; Y195-F208 HydrophobicContact CG-CB 3.76Å; Y195-F208 AromaticContact CZ-CD1 3.94Å
196	L	97.3	Very high	89.7	Confident	5 Å²	5	49.6 Å²	49.6	3%	0.026	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-64.7	148.8	173	-59.5	-177.5	0	0	0	111.1	R201 E205 D207 H227 G230	L196-R201 HydrophobicContact CB-CG 4.3Å; L196-E205 HydrophobicContact CD1-CG 4.04Å; L196-D207 PolarHBondContact N-O 2.96Å; L196-H227 WeakPolarHBondContact CD2-O 3.39Å; L196-G230 VanDerWaalsContact CD2-CA 3.45Å
197	P	96.4	Very high	91.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-51.2	141.4	167.1	-20	25.5	0	0	0	111.3	D143 R199 L200 R201 G228	D143-P197 VanDerWaalsContact O-CB 3.25Å; D143-P197 WeakPolarHBondContact O-CB 3.5Å; P197-R199 HydrophobicContact CB-CG 4.38Å; P197-R199 PolarHBondContact O-N 2.94Å; P197-R199 VanDerWaalsContact O-N 3.11Å; P197-L200 HydrophobicContact CB-CD1 4.43Å; P197-L200 HydrophobicContact CB-CG 4.22Å; P197-L200 HydrophobicContact CG-CD1 3.88Å; P197-L200 HydrophobicContact CG-CG 4.22Å; P197-L200 PolarHBondContact O-N 2.99Å; P197-R201 PolarHBondContact O-N 3.3Å; P197-G228 VanDerWaalsContact CD-O 3.26Å; P197-G228 WeakPolarHBondContact CD-O 3.22Å
198	K	95	Very high	92.8	Very high	84 Å²	84	47.4 Å²	47.4	37%	0.365	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-52.9	-39.8	-178.2	-67.2	179	176.2	165.5	0	112	E138 N139 L141 S142 D143 L200 R201	E138-K198 WeakPolarHBondContact O-CE 3.49Å; E138-K198 PolarHBondContact O-NZ 2.91Å; N139-K198 PolarHBondContact O-NZ 3.38Å; L141-K198 HydrophobicContact CB-CD 4.38Å; L141-K198 VanDerWaalsContact CB-CE 3.45Å; L141-K198 HydrophobicContact CB-CG 4Å; L141-K198 WeakPolarHBondContact O-CE 3.47Å; L141-K198 PolarHBondContact O-NZ 3.2Å; L141-K198 VanDerWaalsContact O-NZ 3.11Å; S142-K198 PolarHBondContact O-N 3.49Å; D143-K198 PolarHBondContact O-N 2.88Å; K198-L200 PolarHBondContact O-N 3.34Å; K198-R201 PolarHBondContact O-N 3.07Å
199	R	93.6	Very high	94.1	Very high	70 Å²	70	46 Å²	46	26%	0.264	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-65.5	-19.3	-179.9	76.3	-176.1	52.9	-164.1	-8.6	114.2	D143 P197 I257 D258	D143-R199 WeakPolarHBondContact O-CB 3.36Å; D143-R199 WeakPolarHBondContact O-CD 3.12Å; D143-R199 WeakPolarHBondContact O-CG 3.46Å; D143-R199 PolarHBondContact O-N 3.49Å; D143-R199 PolarHBondContact O-NE 3.45Å; D143-R199 VanDerWaalsContact O-NE 3.14Å; D143-R199 IonicContact OD2-CZ 3.88Å; D143-R199 IonicContact OD2-NE 2.66Å; D143-R199 PolarHBondContact OD2-NE 3.28Å; D143-R199 IonicContact OD2-NH2 2.69Å; D143-R199 PolarHBondContact OD2-NH2 2.84Å; P197-R199 HydrophobicContact CB-CG 4.38Å; P197-R199 PolarHBondContact O-N 2.94Å; P197-R199 VanDerWaalsContact O-N 3.11Å; R199-I257 HydrophobicContact CB-CD1 4.22Å; R199-I257 HydrophobicContact CG-CD1 3.85Å; R199-D258 IonicContact CZ-OD1 3.91Å; R199-D258 IonicContact NH1-OD1 2.8Å; R199-D258 PolarHBondContact NH1-OD1 2.85Å; R199-D258 IonicContact NH2-OD1 3.74Å; R199-D258 PolarHBondContact NH2-OD1 2.93Å; R199-D258 VanDerWaalsContact NH2-OD1 3.16Å
200	L	95	Very high	94.8	Very high	2 Å²	2	43 Å²	43	1%	0.01	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-99.4	-13.1	-178.9	-59.9	-172	0	0	0	114	P197 K198 I257 R268	P197-L200 HydrophobicContact CB-CD1 4.43Å; P197-L200 HydrophobicContact CB-CG 4.22Å; P197-L200 HydrophobicContact CG-CD1 3.88Å; P197-L200 HydrophobicContact CG-CG 4.22Å; P197-L200 PolarHBondContact O-N 2.99Å; K198-L200 PolarHBondContact O-N 3.34Å; L200-I257 HydrophobicContact CD2-CD1 4.12Å; L200-R268 PolarHBondContact O-NH1 2.77Å
201	R	94.2	Very high	95.1	Very high	41 Å²	41	42.4 Å²	42.4	16%	0.155	20%	0.2	C	C	.	.			trans	-59.4	139.4	-179.6	-72.3	-174.7	166.9	-171.8	-15	112.9	E138 Y195 L196 P197 K198 D207	E138-R201 IonicContact OE1-CZ 2.81Å; E138-R201 IonicContact OE1-NH1 2.88Å; E138-R201 PolarHBondContact OE1-NH1 2.86Å; E138-R201 IonicContact OE1-NH2 3.72Å; E138-R201 PolarHBondContact OE1-NH2 3.16Å; E138-R201 VanDerWaalsContact OE1-NH2 3.09Å; E138-R201 IonicContact OE2-CZ 3.81Å; E138-R201 IonicContact OE2-NH1 3.87Å; E138-R201 PolarHBondContact OE2-NH1 3.22Å; E138-R201 IonicContact OE2-NH2 3.98Å; Y195-R201 VanDerWaalsContact CD1-NH2 3.3Å; L196-R201 HydrophobicContact CB-CG 4.3Å; P197-R201 PolarHBondContact O-N 3.3Å; K198-R201 PolarHBondContact O-N 3.07Å; R201-D207 WeakPolarHBondContact CB-OD1 2.98Å; R201-D207 HydrophobicContact CG-CB 4.42Å; R201-D207 VanDerWaalsContact CG-OD1 3.3Å; R201-D207 WeakPolarHBondContact CG-OD1 3.47Å; R201-D207 IonicContact NE-OD1 2.62Å
202	T	93.2	Very high	95.2	Very high	16 Å²	16	50.4 Å²	50.4	10%	0.098	24%	0.235	C	C	.	.			trans	-161.3	160.5	-172.4	-170.5	0	0	0	0	111.4	F204 E205 N269 L272	T202-F204 HydrophobicContact CG2-CB 4.27Å; T202-F204 PolarHBondContact O-N 2.81Å; T202-F204 WeakPolarHBondContact OG1-CD2 3.26Å; T202-E205 HydrophobicContact CG2-CG 3.8Å; T202-E205 VanDerWaalsContact O-O 3.05Å; T202-N269 PolarHBondContact OG1-OD1 3.42Å; T202-L272 HydrophobicContact CG2-CD1 3.66Å
203	K	93.1	Very high	95.1	Very high	178 Å²	178	52.2 Å²	52.2	77%	0.774	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-0.4	-179.9	67.3	176.7	-177.8	178	0	114.7
204	F	92.2	Very high	95.1	Very high	46 Å²	46	57.8 Å²	57.8	20%	0.202	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-14.7	-175.3	-65.1	-76.8	0	0	0	113.2	T202 N269 L272 K273 K276	T202-F204 HydrophobicContact CG2-CB 4.27Å; T202-F204 PolarHBondContact O-N 2.81Å; T202-F204 WeakPolarHBondContact OG1-CD2 3.26Å; F204-N269 HydrophobicContact CD2-CB 4.06Å; F204-N269 WeakPolarHBondContact CD2-OD1 3.28Å; F204-N269 HydrophobicContact CE2-CB 3.59Å; F204-N269 HydrophobicContact CZ-CB 4.43Å; F204-L272 HydrophobicContact CB-CB 3.96Å; F204-L272 HydrophobicContact CB-CD1 4.36Å; F204-L272 HydrophobicContact CG-CB 4.29Å; F204-K273 HydrophobicContact CE1-CB 4.26Å; F204-K273 HydrophobicContact CE1-CG 4.46Å; F204-K276 HydrophobicContact CD1-CD 4.36Å
205	E	93.7	Very high	94.9	Very high	31 Å²	31	61.6 Å²	61.6	15%	0.145	30%	0.301	C	S	.	.	S	Bend	trans	-143.9	164.9	177.7	63	-172.3	134.2	0	0	109.4	L196 T202 G230 L231 R268	L196-E205 HydrophobicContact CD1-CG 4.04Å; T202-E205 HydrophobicContact CG2-CG 3.8Å; T202-E205 VanDerWaalsContact O-O 3.05Å; E205-G230 WeakPolarHBondContact OE2-CA 3.47Å; E205-L231 HydrophobicContact CB-CD1 4.14Å; E205-L231 HydrophobicContact CB-CG 4.48Å; E205-L231 PolarHBondContact OE2-N 3.48Å; E205-R268 IonicContact OE1-CZ 3.66Å; E205-R268 IonicContact OE1-NH1 2.7Å; E205-R268 IonicContact OE1-NH2 2.69Å; E205-R268 PolarHBondContact OE1-NH2 3.07Å
206	D	94.8	Very high	94.7	Very high	138 Å²	138	66 Å²	66	74%	0.738	32%	0.322	S	S	*	.			trans	-72.1	145.5	175.2	-63.8	-37.5	0	0	0	110.6	F208	D206-F208 PolarHBondContact O-N 3.18Å
207	D	95.4	Very high	94.5	Very high	59 Å²	59	68.2 Å²	68.2	32%	0.316	34%	0.338	S	S	.	.	S	Bend	trans	-69.5	-12.1	-179.2	-74.1	-28.1	0	0	0	113.5	Y195 L196 R201	Y195-D207 WeakPolarHBondContact CA-O 3.38Å; L196-D207 PolarHBondContact N-O 2.96Å; R201-D207 WeakPolarHBondContact CB-OD1 2.98Å; R201-D207 HydrophobicContact CG-CB 4.42Å; R201-D207 VanDerWaalsContact CG-OD1 3.3Å; R201-D207 WeakPolarHBondContact CG-OD1 3.47Å; R201-D207 IonicContact NE-OD1 2.62Å
208	F	96.1	Very high	94.4	Very high	71 Å²	71	73.7 Å²	73.7	31%	0.311	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	158.1	178.4	64.6	-87.6	0	0	0	112.7	R193 V194 Y195 D206 V210	R193-F208 HydrophobicContact CB-CD2 4.39Å; R193-F208 HydrophobicContact CG-CD2 3.99Å; R193-F208 HydrophobicContact CG-CE2 4.34Å; V194-F208 CarbonylContact O-C 3.54Å; V194-F208 WeakPolarHBondContact O-CA 3.17Å; V194-F208 VanDerWaalsContact O-CB 3.27Å; V194-F208 WeakPolarHBondContact O-CB 3.39Å; Y195-F208 HydrophobicContact CD1-CB 3.57Å; Y195-F208 AromaticContact CD1-CD1 3.97Å; Y195-F208 HydrophobicContact CD1-CD1 3.97Å; Y195-F208 HydrophobicContact CD1-CG 4.12Å; Y195-F208 HydrophobicContact CD2-CB 4.09Å; Y195-F208 HydrophobicContact CE1-CB 3.81Å; Y195-F208 AromaticContact CE1-CD1 3.44Å; Y195-F208 HydrophobicContact CE1-CD1 3.44Å; Y195-F208 VanDerWaalsContact CE1-CD1 3.44Å; Y195-F208 HydrophobicContact CE1-CE1 4.24Å; Y195-F208 AromaticContact CE1-CG 3.82Å; Y195-F208 HydrophobicContact CE1-CG 3.82Å; Y195-F208 HydrophobicContact CE2-CB 4.31Å; Y195-F208 HydrophobicContact CG-CB 3.76Å; Y195-F208 AromaticContact CZ-CD1 3.94Å; D206-F208 PolarHBondContact O-N 3.18Å; F208-V210 HydrophobicContact CD2-CG2 4.04Å; F208-V210 HydrophobicContact CE2-CG2 3.75Å
209	A	95.9	Very high	94.5	Very high	23 Å²	23	72.6 Å²	72.6	19%	0.19	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	149	165.8	0	0	0	0	0	110.5	R193 V194 W223 H227	R193-A209 VanDerWaalsContact CA-O 3.3Å; R193-A209 WeakPolarHBondContact CA-O 3.15Å; V194-A209 HydrophobicContact CG1-CB 4.04Å; V194-A209 PolarHBondContact N-O 2.89Å; V194-A209 PolarHBondContact O-N 2.87Å; A209-W223 HydrophobicContact CB-CZ2 3.85Å; A209-W223 WeakPolarHBondContact O-CH2 3.45Å; A209-W223 WeakPolarHBondContact O-CZ2 3.39Å; A209-H227 HydrophobicContact CB-CB 3.92Å
210	V	95.3	Very high	94.7	Very high	44 Å²	44	69.3 Å²	69.3	27%	0.267	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.7	173.3	179.7	0	0	0	0	109.6	E191 R193 F208 W223	E191-V210 HydrophobicContact CG-CG1 3.57Å; R193-V210 HydrophobicContact CG-CG2 4.28Å; F208-V210 HydrophobicContact CD2-CG2 4.04Å; F208-V210 HydrophobicContact CE2-CG2 3.75Å; V210-W223 VanDerWaalsContact C-CZ2 3.46Å
211	Y	96.2	Very high	94.7	Very high	31 Å²	31	71.9 Å²	71.9	12%	0.122	37%	0.365	C	S	.	.			trans	-77.3	132.8	175.1	-171.3	-110.5	0	0	0	110.7	L192 G213 E214 N219 I220 W223	L192-Y211 HydrophobicContact CD2-CD1 4.27Å; L192-Y211 HydrophobicContact CD2-CG 4.21Å; L192-Y211 PolarHBondContact O-N 3.08Å; Y211-G213 VanDerWaalsContact CE1-C 3.4Å; Y211-G213 VanDerWaalsContact CE1-O 3.28Å; Y211-G213 WeakPolarHBondContact CE1-O 3.49Å; Y211-E214 WeakPolarHBondContact CE1-O 3.47Å; Y211-E214 PolarHBondContact OH-O 3.1Å; Y211-N219 WeakPolarHBondContact OH-CB 3.41Å; Y211-I220 HydrophobicContact CD1-CG1 4.03Å; Y211-I220 HydrophobicContact CE1-CD1 4.23Å; Y211-I220 HydrophobicContact CE1-CG1 3.51Å; Y211-I220 HydrophobicContact CE2-CG1 4.16Å; Y211-W223 HydrophobicContact CD2-CB 3.83Å; Y211-W223 AromaticContact CD2-CD1 3.81Å; Y211-W223 AromaticContact CD2-CD2 3.42Å; Y211-W223 HydrophobicContact CD2-CD2 3.42Å; Y211-W223 VanDerWaalsContact CD2-CD2 3.42Å; Y211-W223 AromaticContact CD2-CE2 3.88Å; Y211-W223 AromaticContact CD2-CE3 3.78Å; Y211-W223 HydrophobicContact CD2-CE3 3.78Å; Y211-W223 AromaticContact CD2-CG 3.41Å; Y211-W223 HydrophobicContact CD2-CG 3.41Å; Y211-W223 VanDerWaalsContact CD2-CG 3.41Å; Y211-W223 HydrophobicContact CD2-CZ3 4.49Å; Y211-W223 HydrophobicContact CE2-CB 3.76Å; Y211-W223 HydrophobicContact CE2-CD2 4.27Å; Y211-W223 AromaticContact CE2-CG 3.86Å; Y211-W223 HydrophobicContact CE2-CG 3.86Å; Y211-W223 HydrophobicContact CG-CD2 4.16Å; Y211-W223 HydrophobicContact CG-CE3 4.2Å; Y211-W223 HydrophobicContact CG-CZ3 4.5Å
212	K	94.1	Very high	94.7	Very high	191 Å²	191	74.6 Å²	74.6	83%	0.83	38%	0.382	S	S	*	.			trans	-128	8.1	-179.4	-61.7	-177	178.8	179.4	0	113.3
213	G	94.5	Very high	94.8	Very high	44 Å²	44	75.1 Å²	75.1	45%	0.454	38%	0.382	S	S	.	.	S	Bend	trans	-88.8	-173.4	-178.3	0	0	0	0	0	113.3	Y211	Y211-G213 VanDerWaalsContact CE1-C 3.4Å; Y211-G213 VanDerWaalsContact CE1-O 3.28Å; Y211-G213 WeakPolarHBondContact CE1-O 3.49Å
214	E	94.9	Very high	95	Very high	133 Å²	133	66.6 Å²	66.6	62%	0.621	35%	0.345	S	S	*	.			trans	-69.9	149.5	176.4	-62.2	-179.2	164.1	0	0	111.9	Y211 E216	Y211-E214 WeakPolarHBondContact CE1-O 3.47Å; Y211-E214 PolarHBondContact OH-O 3.1Å; E214-E216 HydrophobicContact CB-CG 4.29Å; E214-E216 PolarHBondContact O-N 3.05Å
215	L	93.8	Very high	95	Very high	79 Å²	79	67.7 Å²	67.7	41%	0.414	35%	0.348	S	S	.	.	S	Bend	trans	-76.9	50.2	-177.1	-63.4	-177.4	0	0	0	113.5	P158 L159 I220	P158-L215 HydrophobicContact CB-CD1 4.28Å; L159-L215 HydrophobicContact CB-CD1 4.25Å; L159-L215 HydrophobicContact CD1-CD2 3.71Å; L215-I220 HydrophobicContact CD2-CD1 4.44Å
216	E	94.6	Very high	95	Very high	99 Å²	99	73.7 Å²	73.7	46%	0.463	37%	0.374	S	S	.	.			trans	-100.2	132.4	175.1	-57.1	-168.8	147.3	0	0	110.8	E214 N218 N219 I220	E214-E216 HydrophobicContact CB-CG 4.29Å; E214-E216 PolarHBondContact O-N 3.05Å; E216-N218 VanDerWaalsContact C-N 3.31Å; E216-N218 PolarHBondContact O-N 3.06Å; E216-N219 HydrophobicContact CB-CB 4.29Å; E216-N219 PolarHBondContact O-N 3.44Å; E216-N219 PolarHBondContact OE2-ND2 3.28Å; E216-I220 WeakPolarHBondContact O-CG1 3.41Å; E216-I220 PolarHBondContact O-N 3.05Å; E216-I220 VanDerWaalsContact O-N 3.08Å
217	S	92.8	Very high	95	Very high	52 Å²	52	70.6 Å²	70.6	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-56.5	-41.3	-175.5	-58.6	0	0	0	0	113.3	L166 K221	L166-S217 WeakPolarHBondContact CD2-O 3.45Å; S217-K221 VanDerWaalsContact O-CB 3.24Å; S217-K221 WeakPolarHBondContact O-CB 3.4Å; S217-K221 PolarHBondContact O-N 3.19Å
218	N	94.3	Very high	95	Very high	115 Å²	115	67.8 Å²	67.8	62%	0.615	34%	0.339	S	S	*	.	H	α-helix	trans	-67.2	-43.7	-179.6	-70.3	-17.5	0	0	0	111.6	E216 I220 K221 D222	E216-N218 VanDerWaalsContact C-N 3.31Å; E216-N218 PolarHBondContact O-N 3.06Å; N218-I220 VanDerWaalsContact C-N 3.32Å; N218-I220 PolarHBondContact O-N 3.14Å; N218-K221 PolarHBondContact O-N 3.49Å; N218-D222 PolarHBondContact O-N 3.26Å
219	N	96.4	Very high	94.9	Very high	61 Å²	61	64.8 Å²	64.8	33%	0.326	33%	0.327	S	S	.	.	H	α-helix	trans	-62.6	-40.7	179.3	-61	-14.6	0	0	0	111.5	Y211 E216 W223	Y211-N219 WeakPolarHBondContact OH-CB 3.41Å; E216-N219 HydrophobicContact CB-CB 4.29Å; E216-N219 PolarHBondContact O-N 3.44Å; E216-N219 PolarHBondContact OE2-ND2 3.28Å; N219-W223 VanDerWaalsContact O-CB 3.28Å; N219-W223 WeakPolarHBondContact O-CB 3.39Å; N219-W223 PolarHBondContact O-N 3.39Å
220	I	97.2	Very high	94.8	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-69.4	-41.2	176.3	-62	166.8	0	0	0	110.7	T162 L166 L192 Y211 L215 E216 N218 W223 I224	T162-I220 HydrophobicContact CG2-CD1 3.81Å; L166-I220 HydrophobicContact CD1-CB 3.66Å; L166-I220 HydrophobicContact CD1-CD1 3.87Å; L166-I220 HydrophobicContact CD1-CG1 4.38Å; L166-I220 HydrophobicContact CD1-CG2 3.43Å; L166-I220 VanDerWaalsContact CD1-CG2 3.43Å; L192-I220 HydrophobicContact CD2-CD1 4.3Å; L192-I220 HydrophobicContact CD2-CG1 4.3Å; L192-I220 HydrophobicContact CD2-CG2 3.48Å; L192-I220 VanDerWaalsContact CD2-CG2 3.48Å; Y211-I220 HydrophobicContact CD1-CG1 4.03Å; Y211-I220 HydrophobicContact CE1-CD1 4.23Å; Y211-I220 HydrophobicContact CE1-CG1 3.51Å; Y211-I220 HydrophobicContact CE2-CG1 4.16Å; L215-I220 HydrophobicContact CD2-CD1 4.44Å; E216-I220 WeakPolarHBondContact O-CG1 3.41Å; E216-I220 PolarHBondContact O-N 3.05Å; E216-I220 VanDerWaalsContact O-N 3.08Å; N218-I220 VanDerWaalsContact C-N 3.32Å; N218-I220 PolarHBondContact O-N 3.14Å; I220-W223 HydrophobicContact CG2-CE3 4.44Å; I220-W223 PolarHBondContact O-N 3.35Å; I220-I224 HydrophobicContact CG2-CD1 3.83Å; I220-I224 HydrophobicContact CG2-CG1 4.26Å; I220-I224 VanDerWaalsContact O-CG1 3.29Å; I220-I224 WeakPolarHBondContact O-CG1 3.41Å; I220-I224 PolarHBondContact O-N 3.28Å
221	K	95.5	Very high	94.8	Very high	57 Å²	57	66.7 Å²	66.7	25%	0.248	34%	0.336	C	S	.	.	H	α-helix	trans	-59.9	-47.1	177.2	174.8	169.2	-178.2	177.7	0	111.8	L166 M170 S217 N218 W223 I224 R225	L166-K221 HydrophobicContact CD2-CB 4.21Å; M170-K221 HydrophobicContact CE-CG 3.92Å; M170-K221 HydrophobicContact SD-CB 3.86Å; M170-K221 HydrophobicContact SD-CD 4.15Å; M170-K221 HydrophobicContact SD-CG 3.65Å; S217-K221 VanDerWaalsContact O-CB 3.24Å; S217-K221 WeakPolarHBondContact O-CB 3.4Å; S217-K221 PolarHBondContact O-N 3.19Å; N218-K221 PolarHBondContact O-N 3.49Å; K221-W223 VanDerWaalsContact C-N 3.31Å; K221-W223 PolarHBondContact O-N 3.41Å; K221-I224 PolarHBondContact O-N 3.28Å; K221-R225 VanDerWaalsContact CE-NH2 3.31Å; K221-R225 WeakPolarHBondContact O-CG 3.48Å; K221-R225 PolarHBondContact O-N 2.82Å
222	D	93.9	Very high	94.8	Very high	97 Å²	97	65.4 Å²	65.4	52%	0.519	33%	0.331	S	S	.	.	H	α-helix	trans	-65.3	-38.3	177.8	-68.8	-15.8	0	0	0	111.2	N218 R225 K226	N218-D222 PolarHBondContact O-N 3.26Å; D222-R225 PolarHBondContact O-N 2.82Å; D222-K226 VanDerWaalsContact O-CB 3.31Å; D222-K226 WeakPolarHBondContact O-CB 3.38Å; D222-K226 PolarHBondContact O-N 2.74Å
223	W	96.5	Very high	94.8	Very high	27 Å²	27	56.3 Å²	56.3	10%	0.102	29%	0.292	C	S	.	.	H	α-helix	trans	-64.5	-44.8	173.4	173.3	84.2	0	0	0	112.9	L192 V194 A209 V210 Y211 N219 I220 K221 R225 K226 H227	L192-W223 HydrophobicContact CD2-CZ3 4Å; L192-W223 HydrophobicContact CG-CZ3 4.17Å; V194-W223 HydrophobicContact CB-CH2 3.72Å; V194-W223 HydrophobicContact CB-CZ2 4.38Å; V194-W223 HydrophobicContact CB-CZ3 3.87Å; V194-W223 HydrophobicContact CG1-CE3 4.38Å; V194-W223 HydrophobicContact CG1-CH2 3.43Å; V194-W223 VanDerWaalsContact CG1-CH2 3.43Å; V194-W223 HydrophobicContact CG1-CZ2 3.59Å; V194-W223 HydrophobicContact CG1-CZ3 3.84Å; A209-W223 HydrophobicContact CB-CZ2 3.85Å; A209-W223 WeakPolarHBondContact O-CH2 3.45Å; A209-W223 WeakPolarHBondContact O-CZ2 3.39Å; V210-W223 VanDerWaalsContact C-CZ2 3.46Å; Y211-W223 HydrophobicContact CD2-CB 3.83Å; Y211-W223 AromaticContact CD2-CD1 3.81Å; Y211-W223 AromaticContact CD2-CD2 3.42Å; Y211-W223 HydrophobicContact CD2-CD2 3.42Å; Y211-W223 VanDerWaalsContact CD2-CD2 3.42Å; Y211-W223 AromaticContact CD2-CE2 3.88Å; Y211-W223 AromaticContact CD2-CE3 3.78Å; Y211-W223 HydrophobicContact CD2-CE3 3.78Å; Y211-W223 AromaticContact CD2-CG 3.41Å; Y211-W223 HydrophobicContact CD2-CG 3.41Å; Y211-W223 VanDerWaalsContact CD2-CG 3.41Å; Y211-W223 HydrophobicContact CD2-CZ3 4.49Å; Y211-W223 HydrophobicContact CE2-CB 3.76Å; Y211-W223 HydrophobicContact CE2-CD2 4.27Å; Y211-W223 AromaticContact CE2-CG 3.86Å; Y211-W223 HydrophobicContact CE2-CG 3.86Å; Y211-W223 HydrophobicContact CG-CD2 4.16Å; Y211-W223 HydrophobicContact CG-CE3 4.2Å; Y211-W223 HydrophobicContact CG-CZ3 4.5Å; N219-W223 VanDerWaalsContact O-CB 3.28Å; N219-W223 WeakPolarHBondContact O-CB 3.39Å; N219-W223 PolarHBondContact O-N 3.39Å; I220-W223 HydrophobicContact CG2-CE3 4.44Å; I220-W223 PolarHBondContact O-N 3.35Å; K221-W223 VanDerWaalsContact C-N 3.31Å; K221-W223 PolarHBondContact O-N 3.41Å; W223-R225 VanDerWaalsContact C-N 3.26Å; W223-R225 PolarHBondContact O-N 2.87Å; W223-K226 PolarHBondContact O-N 2.6Å; W223-H227 AromaticContact CD1-CD2 3.12Å; W223-H227 AromaticContact CD1-NE2 3.56Å; W223-H227 AromaticContact CG-CD2 3.87Å; W223-H227 AromaticContact NE1-CD2 3.27Å; W223-H227 PolarHBondContact NE1-CD2 3.41Å; W223-H227 VanDerWaalsContact NE1-CD2 3.27Å; W223-H227 AromaticContact NE1-CG 3.87Å; W223-H227 AromaticContact NE1-NE2 3.73Å; W223-H227 WeakPolarHBondContact O-CB 3.43Å; W223-H227 PolarHBondContact O-CD2 2.88Å; W223-H227 VanDerWaalsContact O-CD2 3.31Å; W223-H227 PolarHBondContact O-N 2.81Å
224	I	96.4	Very high	94.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58	-43.8	174.2	-70.1	162.7	0	0	0	109.6	V148 M170 A174 F176 I220 K221 G228	V148-I224 HydrophobicContact CG1-CD1 4.22Å; V148-I224 HydrophobicContact CG1-CG1 4.47Å; V148-I224 HydrophobicContact CG2-CD1 3.9Å; V148-I224 HydrophobicContact CG2-CG1 3.94Å; V148-I224 HydrophobicContact CG2-CG2 4.06Å; M170-I224 HydrophobicContact CE-CB 4.07Å; M170-I224 HydrophobicContact CE-CD1 4.23Å; M170-I224 HydrophobicContact CE-CG2 3.76Å; M170-I224 HydrophobicContact SD-CD1 3.98Å; A174-I224 HydrophobicContact CB-CG2 4.38Å; F176-I224 HydrophobicContact CE1-CD1 4.26Å; F176-I224 HydrophobicContact CZ-CD1 4.29Å; I220-I224 HydrophobicContact CG2-CD1 3.83Å; I220-I224 HydrophobicContact CG2-CG1 4.26Å; I220-I224 VanDerWaalsContact O-CG1 3.29Å; I220-I224 WeakPolarHBondContact O-CG1 3.41Å; I220-I224 PolarHBondContact O-N 3.28Å; K221-I224 PolarHBondContact O-N 3.28Å; I224-G228 VanDerWaalsContact O-CA 3.29Å; I224-G228 WeakPolarHBondContact O-CA 3.36Å; I224-G228 PolarHBondContact O-N 2.78Å
225	R	93.7	Very high	94.8	Very high	68 Å²	68	49.3 Å²	49.3	26%	0.257	25%	0.247	S	C	.	.	H	α-helix	trans	-64.8	-42.9	179.5	-74.3	174.3	172.2	-170	-11.6	112.7	D173 K221 D222 W223 Y242	D173-R225 IonicContact OD2-NE 3.85Å; D173-R225 IonicContact OD2-NH2 3.61Å; D173-R225 PolarHBondContact OD2-NH2 3.16Å; K221-R225 VanDerWaalsContact CE-NH2 3.31Å; K221-R225 WeakPolarHBondContact O-CG 3.48Å; K221-R225 PolarHBondContact O-N 2.82Å; D222-R225 PolarHBondContact O-N 2.82Å; W223-R225 VanDerWaalsContact C-N 3.26Å; W223-R225 PolarHBondContact O-N 2.87Å; R225-Y242 HydrophobicContact CB-CD1 3.97Å; R225-Y242 HydrophobicContact CB-CE1 4.29Å; R225-Y242 HydrophobicContact CG-CD1 3.95Å; R225-Y242 HydrophobicContact CG-CE1 3.95Å; R225-Y242 WeakPolarHBondContact O-CD1 3.37Å
226	K	92.6	Very high	94.8	Very high	158 Å²	158	46.3 Å²	46.3	69%	0.687	23%	0.232	S	C	*	.	H	α-helix	trans	-67.5	-39.8	179.4	-177.5	174.8	-178.3	173.1	0	113.4	D222 W223	D222-K226 VanDerWaalsContact O-CB 3.31Å; D222-K226 WeakPolarHBondContact O-CB 3.38Å; D222-K226 PolarHBondContact O-N 2.74Å; W223-K226 PolarHBondContact O-N 2.6Å
227	H	94.8	Very high	94.7	Very high	72 Å²	72	45.3 Å²	45.3	33%	0.333	23%	0.234	S	C	.	.	H	α-helix	trans	-103.6	-17.9	-171.2	-68.5	-80.9	0	0	0	114.1	V194 L196 A209 W223 Q229 G230	V194-H227 HydrophobicContact CG1-CB 3.74Å; L196-H227 WeakPolarHBondContact CD2-O 3.39Å; A209-H227 HydrophobicContact CB-CB 3.92Å; W223-H227 AromaticContact CD1-CD2 3.12Å; W223-H227 AromaticContact CD1-NE2 3.56Å; W223-H227 AromaticContact CG-CD2 3.87Å; W223-H227 AromaticContact NE1-CD2 3.27Å; W223-H227 PolarHBondContact NE1-CD2 3.41Å; W223-H227 VanDerWaalsContact NE1-CD2 3.27Å; W223-H227 AromaticContact NE1-CG 3.87Å; W223-H227 AromaticContact NE1-NE2 3.73Å; W223-H227 WeakPolarHBondContact O-CB 3.43Å; W223-H227 PolarHBondContact O-CD2 2.88Å; W223-H227 VanDerWaalsContact O-CD2 3.31Å; W223-H227 PolarHBondContact O-N 2.81Å; H227-Q229 PolarHBondContact O-N 2.88Å; H227-G230 PolarHBondContact O-N 2.65Å
228	G	95.4	Very high	94.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-15.2	-173.7	0	0	0	0	0	115.3	P146 P197 I224	P146-G228 WeakPolarHBondContact CB-O 3.34Å; P197-G228 VanDerWaalsContact CD-O 3.26Å; P197-G228 WeakPolarHBondContact CD-O 3.22Å; I224-G228 VanDerWaalsContact O-CA 3.29Å; I224-G228 WeakPolarHBondContact O-CA 3.36Å; I224-G228 PolarHBondContact O-N 2.78Å
229	Q	94.3	Very high	94.3	Very high	9 Å²	9	42.9 Å²	42.9	4%	0.042	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-0.4	179.5	-62.9	-61.9	-29.7	0	0	113.3	H227 G233 Y242 F243	H227-Q229 PolarHBondContact O-N 2.88Å; Q229-G233 VanDerWaalsContact O-CA 3.28Å; Q229-G233 WeakPolarHBondContact O-CA 3.44Å; Q229-Y242 HydrophobicContact CG-CD1 4.11Å; Q229-Y242 HydrophobicContact CG-CD2 3.9Å; Q229-Y242 HydrophobicContact CG-CE2 4.4Å; Q229-Y242 HydrophobicContact CG-CG 3.74Å; Q229-Y242 VanDerWaalsContact NE2-CE2 3.3Å; Q229-F243 HydrophobicContact CB-CZ 4.42Å; Q229-F243 HydrophobicContact CG-CZ 4.3Å
230	G	94.3	Very high	94.1	Very high	20 Å²	20	42 Å²	42	21%	0.206	22%	0.222	C	C	.	.			trans	71.3	-171.5	-176.8	0	0	0	0	0	112.9	L196 E205 H227 V232	L196-G230 VanDerWaalsContact CD2-CA 3.45Å; E205-G230 WeakPolarHBondContact OE2-CA 3.47Å; H227-G230 PolarHBondContact O-N 2.65Å; G230-V232 VanDerWaalsContact C-N 3.28Å; G230-V232 PolarHBondContact O-N 3.3Å
231	L	94.7	Very high	93.8	Very high	86 Å²	86	44 Å²	44	45%	0.45	23%	0.231	S	C	.	.	S	Bend	trans	-66.7	-30.1	-178.6	-68	177.4	0	0	0	112.9	E205 L272 L275 F287	E205-L231 HydrophobicContact CB-CD1 4.14Å; E205-L231 HydrophobicContact CB-CG 4.48Å; E205-L231 PolarHBondContact OE2-N 3.48Å; L231-L272 HydrophobicContact CB-CD2 3.6Å; L231-L272 HydrophobicContact CD1-CD2 4.23Å; L231-L272 HydrophobicContact CG-CD2 4.49Å; L231-L275 HydrophobicContact CB-CD1 4.27Å; L231-F287 WeakPolarHBondContact O-CB 3.2Å
232	V	95.5	Very high	93.7	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.024	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	101.9	173.8	-174.9	0	0	0	0	108.3	G230 R268 V271 L272 L275 F287	G230-V232 VanDerWaalsContact C-N 3.28Å; G230-V232 PolarHBondContact O-N 3.3Å; V232-R268 HydrophobicContact CB-CG 4.01Å; V232-R268 HydrophobicContact CG1-CG 3.9Å; V232-R268 PolarHBondContact O-NE 2.78Å; V232-R268 PolarHBondContact O-NH2 2.81Å; V232-V271 HydrophobicContact CG2-CB 4.3Å; V232-V271 HydrophobicContact CG2-CG1 3.72Å; V232-L272 HydrophobicContact CB-CD2 4.21Å; V232-L272 HydrophobicContact CB-CG 4.33Å; V232-L272 HydrophobicContact CG2-CD2 3.69Å; V232-L272 HydrophobicContact CG2-CG 3.82Å; V232-L275 HydrophobicContact CG2-CD1 3.82Å; V232-F287 CarbonylContact C-O 3.5Å; V232-F287 WeakPolarHBondContact CA-O 3.33Å; V232-F287 HydrophobicContact CB-CB 4.24Å; V232-F287 HydrophobicContact CG1-CB 4.15Å; V232-F287 HydrophobicContact CG2-CB 3.87Å
233	G	95.2	Very high	93.8	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	170.8	-179	0	0	0	0	0	114	Q229 F287 A288 Y289	Q229-G233 VanDerWaalsContact O-CA 3.28Å; Q229-G233 WeakPolarHBondContact O-CA 3.44Å; G233-F287 PolarHBondContact N-O 2.64Å; G233-A288 CarbonylContact O-C 3.47Å; G233-A288 WeakPolarHBondContact O-CA 3.03Å; G233-Y289 PolarHBondContact O-N 2.95Å
234	Y	94.4	Very high	93.4	Very high	18 Å²	18	42.3 Å²	42.3	7%	0.071	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	117.5	162.1	-177.4	-95.1	0	0	0	108.6	N239 I257 Y289	Y234-N239 PolarHBondContact O-ND2 3.44Å; Y234-I257 HydrophobicContact CD1-CG2 4.17Å; Y234-I257 HydrophobicContact CD2-CB 3.86Å; Y234-I257 HydrophobicContact CD2-CD1 4.14Å; Y234-I257 HydrophobicContact CD2-CG2 3.83Å; Y234-I257 HydrophobicContact CE1-CG2 3.85Å; Y234-I257 HydrophobicContact CE2-CB 3.57Å; Y234-I257 HydrophobicContact CE2-CG2 3.48Å; Y234-I257 VanDerWaalsContact CE2-CG2 3.48Å; Y234-I257 HydrophobicContact CG-CD1 4.49Å; Y234-I257 HydrophobicContact CG-CG2 4.16Å; Y234-I257 VanDerWaalsContact CZ-CG2 3.49Å; Y234-Y289 WeakPolarHBondContact CA-O 3.23Å; Y234-Y289 AromaticContact CD2-CD1 3.68Å; Y234-Y289 HydrophobicContact CD2-CD1 3.68Å; Y234-Y289 HydrophobicContact CD2-CE1 4.4Å; Y234-Y289 AromaticContact CE2-CD1 3.65Å; Y234-Y289 HydrophobicContact CE2-CD1 3.65Å; Y234-Y289 AromaticContact CE2-CE1 3.97Å; Y234-Y289 HydrophobicContact CE2-CE1 3.97Å
235	R	95.5	Very high	93	Very high	12 Å²	12	50.5 Å²	50.5	5%	0.045	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	121.7	-179.8	-177.4	-177.8	86.8	136.3	8.4	110	N239 T240 F243 Y252 A288 Y289 S290 F295 E298	R235-N239 WeakPolarHBondContact CA-OD1 3.48Å; R235-T240 HydrophobicContact CG-CG2 4.38Å; R235-F243 HydrophobicContact CB-CD2 3.8Å; R235-F243 HydrophobicContact CB-CE1 4.47Å; R235-F243 HydrophobicContact CB-CE2 3.49Å; R235-F243 VanDerWaalsContact CB-CE2 3.49Å; R235-F243 HydrophobicContact CB-CG 4.42Å; R235-F243 HydrophobicContact CB-CZ 3.86Å; R235-F243 HydrophobicContact CG-CD2 3.58Å; R235-F243 HydrophobicContact CG-CE2 3.75Å; R235-F243 HydrophobicContact CG-CG 4.26Å; R235-Y252 PolarHBondContact NH2-OH 2.83Å; R235-A288 HydrophobicContact CB-CB 3.76Å; R235-Y289 PolarHBondContact N-O 2.91Å; R235-S290 WeakPolarHBondContact CB-OG 3.46Å; R235-S290 PolarHBondContact NE-OG 2.71Å; R235-S290 PolarHBondContact O-OG 2.73Å; R235-F295 HydrophobicContact CG-CZ 3.9Å; R235-F295 VanDerWaalsContact NH2-CD1 3.34Å; R235-F295 VanDerWaalsContact O-CE2 3.29Å; R235-F295 WeakPolarHBondContact O-CE2 3.49Å; R235-E298 IonicContact CZ-OE1 2.79Å; R235-E298 IonicContact CZ-OE2 3.69Å; R235-E298 IonicContact NH1-OE1 2.82Å; R235-E298 PolarHBondContact NH1-OE1 3.14Å; R235-E298 IonicContact NH1-OE2 3.97Å; R235-E298 IonicContact NH2-OE1 3.78Å; R235-E298 PolarHBondContact NH2-OE1 2.74Å; R235-E298 IonicContact NH2-OE2 2.8Å; R235-E298 PolarHBondContact NH2-OE2 2.83Å
236	S	93.4	Very high	92.9	Very high	16 Å²	16	48.6 Å²	48.6	11%	0.112	26%	0.262	C	S	.	.			trans	-122.9	166.3	173.2	74.4	0	0	0	0	110	S238 N239 T240 F295	S236-S238 PolarHBondContact O-N 3.19Å; S236-S238 PolarHBondContact OG-N 3.17Å; S236-S238 PolarHBondContact OG-OG 3.25Å; S236-N239 PolarHBondContact N-OD1 3.29Å; S236-N239 PolarHBondContact O-N 2.66Å; S236-N239 VanDerWaalsContact O-N 3.08Å; S236-N239 PolarHBondContact O-OD1 3.41Å; S236-N239 VanDerWaalsContact O-OD1 3.07Å; S236-T240 WeakPolarHBondContact O-CG2 3.3Å; S236-T240 PolarHBondContact O-N 3.22Å; S236-F295 VanDerWaalsContact C-CZ 3.49Å
237	P	90.9	Very high	93.1	Very high	78 Å²	78	43.3 Å²	43.3	51%	0.506	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.3	178.5	-27.3	37	0	0	0	113.8	D294 F295	P237-D294 HydrophobicContact CG-CB 3.89Å; P237-F295 HydrophobicContact CG-CZ 4.36Å
238	S	86.8	Confident	93.2	Very high	100 Å²	100	40.1 Å²	40.1	70%	0.699	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-6.9	-179.1	63.3	0	0	0	0	114.2	S236 F241	S236-S238 PolarHBondContact O-N 3.19Å; S236-S238 PolarHBondContact OG-N 3.17Å; S236-S238 PolarHBondContact OG-OG 3.25Å; S238-F241 WeakPolarHBondContact O-CE1 3.42Å
239	N	92.6	Very high	93.3	Very high	16 Å²	16	40.1 Å²	40.1	9%	0.086	23%	0.226	C	C	.	.			trans	-135.8	16.8	-172.1	81.8	1.3	0	0	0	114.2	Y234 R235 S236 F241 Y242	Y234-N239 PolarHBondContact O-ND2 3.44Å; R235-N239 WeakPolarHBondContact CA-OD1 3.48Å; S236-N239 PolarHBondContact N-OD1 3.29Å; S236-N239 PolarHBondContact O-N 2.66Å; S236-N239 VanDerWaalsContact O-N 3.08Å; S236-N239 PolarHBondContact O-OD1 3.41Å; S236-N239 VanDerWaalsContact O-OD1 3.07Å; N239-F241 HydrophobicContact CB-CE1 4.33Å; N239-F241 PolarHBondContact O-N 3.26Å; N239-F241 VanDerWaalsContact O-N 3.09Å; N239-Y242 HydrophobicContact CB-CD2 3.88Å; N239-Y242 HydrophobicContact CB-CE2 4.18Å; N239-Y242 WeakPolarHBondContact O-CD2 3.29Å; N239-Y242 PolarHBondContact O-N 3.3Å; N239-Y242 VanDerWaalsContact O-N 3.13Å
240	T	93.5	Very high	93.4	Very high	42 Å²	42	39.7 Å²	39.7	26%	0.258	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-55.8	-28.6	-179.7	54.8	0	0	0	0	113.1	R235 S236 Y242 F243 E244 F295	R235-T240 HydrophobicContact CG-CG2 4.38Å; S236-T240 WeakPolarHBondContact O-CG2 3.3Å; S236-T240 PolarHBondContact O-N 3.22Å; T240-Y242 PolarHBondContact O-N 3.43Å; T240-F243 PolarHBondContact O-N 3.36Å; T240-E244 PolarHBondContact O-N 3.01Å; T240-F295 HydrophobicContact CG2-CE1 4.07Å; T240-F295 HydrophobicContact CG2-CZ 4.28Å
241	F	90.5	Very high	93.5	Very high	43 Å²	43	39 Å²	39	19%	0.189	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-59.3	-16.5	178.4	64.6	-99.3	0	0	0	114.7	D173 S238 N239 F243	D173-F241 HydrophobicContact CB-CE2 3.8Å; D173-F241 HydrophobicContact CB-CZ 3.82Å; D173-F241 VanDerWaalsContact CG-CZ 3.46Å; D173-F241 WeakPolarHBondContact OD1-CZ 3.28Å; D173-F241 WeakPolarHBondContact OD2-CE2 3.47Å; S238-F241 WeakPolarHBondContact O-CE1 3.42Å; N239-F241 HydrophobicContact CB-CE1 4.33Å; N239-F241 PolarHBondContact O-N 3.26Å; N239-F241 VanDerWaalsContact O-N 3.09Å; F241-F243 VanDerWaalsContact C-N 3.27Å
242	Y	93.4	Very high	93.5	Very high	22 Å²	22	35 Å²	35	9%	0.086	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-74.8	-17.4	171	-73	-64	0	0	0	113.6	P146 D173 R225 Q229 N239 T240	P146-Y242 WeakPolarHBondContact CG-OH 3.32Å; D173-Y242 WeakPolarHBondContact CB-OH 3.46Å; D173-Y242 PolarHBondContact O-OH 2.85Å; R225-Y242 HydrophobicContact CB-CD1 3.97Å; R225-Y242 HydrophobicContact CB-CE1 4.29Å; R225-Y242 HydrophobicContact CG-CD1 3.95Å; R225-Y242 HydrophobicContact CG-CE1 3.95Å; R225-Y242 WeakPolarHBondContact O-CD1 3.37Å; Q229-Y242 HydrophobicContact CG-CD1 4.11Å; Q229-Y242 HydrophobicContact CG-CD2 3.9Å; Q229-Y242 HydrophobicContact CG-CE2 4.4Å; Q229-Y242 HydrophobicContact CG-CG 3.74Å; Q229-Y242 VanDerWaalsContact NE2-CE2 3.3Å; N239-Y242 HydrophobicContact CB-CD2 3.88Å; N239-Y242 HydrophobicContact CB-CE2 4.18Å; N239-Y242 WeakPolarHBondContact O-CD2 3.29Å; N239-Y242 PolarHBondContact O-N 3.3Å; N239-Y242 VanDerWaalsContact O-N 3.13Å; T240-Y242 PolarHBondContact O-N 3.43Å
243	F	94.5	Very high	93.3	Very high	9 Å²	9	35.5 Å²	35.5	4%	0.039	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-2.1	-170.1	-52.8	-84.1	0	0	0	112.7	Q229 R235 T240 F241 S246 L248 V286 A288	Q229-F243 HydrophobicContact CB-CZ 4.42Å; Q229-F243 HydrophobicContact CG-CZ 4.3Å; R235-F243 HydrophobicContact CB-CD2 3.8Å; R235-F243 HydrophobicContact CB-CE1 4.47Å; R235-F243 HydrophobicContact CB-CE2 3.49Å; R235-F243 VanDerWaalsContact CB-CE2 3.49Å; R235-F243 HydrophobicContact CB-CG 4.42Å; R235-F243 HydrophobicContact CB-CZ 3.86Å; R235-F243 HydrophobicContact CG-CD2 3.58Å; R235-F243 HydrophobicContact CG-CE2 3.75Å; R235-F243 HydrophobicContact CG-CG 4.26Å; T240-F243 PolarHBondContact O-N 3.36Å; F241-F243 VanDerWaalsContact C-N 3.27Å; F243-S246 PolarHBondContact O-OG 3.2Å; F243-L248 HydrophobicContact CB-CD1 3.89Å; F243-L248 HydrophobicContact CB-CD2 3.9Å; F243-L248 HydrophobicContact CB-CG 4.5Å; F243-L248 HydrophobicContact CD1-CD1 3.74Å; F243-L248 HydrophobicContact CG-CD1 4.18Å; F243-V286 HydrophobicContact CD1-CG1 3.73Å; F243-V286 HydrophobicContact CE1-CG1 4.37Å; F243-A288 HydrophobicContact CD1-CB 3.86Å; F243-A288 HydrophobicContact CE1-CB 3.61Å; F243-A288 HydrophobicContact CZ-CB 4.16Å
244	E	89.3	Confident	93.1	Very high	114 Å²	114	39.6 Å²	39.6	53%	0.533	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	153.8	178.6	-74.7	172.6	-168.5	0	0	112.1	T240 S246	T240-E244 PolarHBondContact O-N 3.01Å; E244-S246 PolarHBondContact O-N 3.04Å
245	N	87	Confident	92.9	Very high	173 Å²	173	42.1 Å²	42.1	93%	0.925	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	31	176.9	-52.4	-51.5	0	0	0	114.5
246	S	92	Very high	92.6	Very high	28 Å²	28	42.4 Å²	42.4	20%	0.196	24%	0.235	C	C	.	.	S	Bend	trans	-124.4	159.4	178.9	70.2	0	0	0	0	111.9	F243 E244 L248 V286	F243-S246 PolarHBondContact O-OG 3.2Å; E244-S246 PolarHBondContact O-N 3.04Å; S246-L248 PolarHBondContact O-N 2.73Å; S246-L248 VanDerWaalsContact O-N 3.17Å; S246-V286 VanDerWaalsContact CB-CG2 3.45Å
247	D	96.5	Very high	92.5	Very high	47 Å²	47	42.1 Å²	42.1	25%	0.251	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	94	161.6	-68.3	-25.8	0	0	0	107.3	L285 V286 S316 F338	D247-L285 HydrophobicContact CB-CD2 3.72Å; D247-V286 PolarHBondContact O-N 3.09Å; D247-S316 WeakPolarHBondContact OD1-CA 3.45Å; D247-S316 WeakPolarHBondContact OD1-CB 3.48Å; D247-S316 PolarHBondContact OD1-OG 3.04Å; D247-F338 HydrophobicContact CB-CE1 4.25Å; D247-F338 HydrophobicContact CB-CZ 4.22Å
248	L	97.5	Very high	92.4	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.026	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	116.3	-167.1	179.1	63.2	0	0	0	110.9	F243 S246 V250 V286 A288 I314 Q315	F243-L248 HydrophobicContact CB-CD1 3.89Å; F243-L248 HydrophobicContact CB-CD2 3.9Å; F243-L248 HydrophobicContact CB-CG 4.5Å; F243-L248 HydrophobicContact CD1-CD1 3.74Å; F243-L248 HydrophobicContact CG-CD1 4.18Å; S246-L248 PolarHBondContact O-N 2.73Å; S246-L248 VanDerWaalsContact O-N 3.17Å; L248-V250 HydrophobicContact CD1-CG2 4.34Å; L248-V250 HydrophobicContact CD2-CG2 3.62Å; L248-V250 HydrophobicContact CG-CG2 3.58Å; L248-V286 CarbonylContact C-O 3.53Å; L248-V286 WeakPolarHBondContact CA-O 3.28Å; L248-V286 HydrophobicContact CD1-CB 4.24Å; L248-V286 HydrophobicContact CD1-CG1 3.97Å; L248-A288 HydrophobicContact CD1-CB 4Å; L248-I314 CarbonylContact O-C 3.5Å; L248-I314 WeakPolarHBondContact O-CA 3.34Å; L248-Q315 PolarHBondContact N-O 2.88Å; L248-Q315 PolarHBondContact O-N 3.03Å
249	V	97.7	Very high	92.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	115.9	169.3	-172.4	0	0	0	0	109	L285 V286 F287 A288 V312 V313 I314 F331 L335	V249-L285 HydrophobicContact CG2-CB 4.19Å; V249-L285 HydrophobicContact CG2-CD1 4.09Å; V249-V286 PolarHBondContact N-O 2.79Å; V249-F287 HydrophobicContact CB-CD1 3.52Å; V249-F287 HydrophobicContact CB-CE1 3.71Å; V249-F287 HydrophobicContact CB-CG 4.24Å; V249-F287 HydrophobicContact CG1-CD1 3.79Å; V249-F287 HydrophobicContact CG1-CE1 3.88Å; V249-F287 HydrophobicContact CG2-CD1 3.93Å; V249-F287 HydrophobicContact CG2-CE1 3.61Å; V249-F287 HydrophobicContact CG2-CZ 4.06Å; V249-F287 CarbonylContact O-C 3.59Å; V249-F287 WeakPolarHBondContact O-CA 3.37Å; V249-A288 PolarHBondContact O-N 3.09Å; V249-V312 HydrophobicContact CG1-CG1 3.87Å; V249-V313 CarbonylContact C-O 3.56Å; V249-V313 VanDerWaalsContact CA-O 3.32Å; V249-V313 WeakPolarHBondContact CA-O 3.33Å; V249-I314 HydrophobicContact CG1-CG1 4.46Å; V249-I314 HydrophobicContact CG2-CD1 4.35Å; V249-I314 HydrophobicContact CG2-CG1 4.07Å; V249-I314 HydrophobicContact CG2-CG2 4.47Å; V249-F331 HydrophobicContact CG1-CE2 4.08Å; V249-L335 HydrophobicContact CG1-CD2 4.14Å; V249-L335 HydrophobicContact CG2-CD2 3.94Å
250	V	96.9	Very high	92.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.7	179.4	-168.6	0	0	0	0	110.6	L248 Y252 A288 V312 V313	L248-V250 HydrophobicContact CD1-CG2 4.34Å; L248-V250 HydrophobicContact CD2-CG2 3.62Å; L248-V250 HydrophobicContact CG-CG2 3.58Å; V250-Y252 HydrophobicContact CB-CD2 4.33Å; V250-Y252 HydrophobicContact CB-CE2 3.94Å; V250-Y252 HydrophobicContact CG1-CD1 4.12Å; V250-Y252 HydrophobicContact CG1-CD2 3.96Å; V250-Y252 HydrophobicContact CG1-CE1 3.81Å; V250-Y252 HydrophobicContact CG1-CE2 3.66Å; V250-Y252 HydrophobicContact CG1-CG 4.19Å; V250-A288 CarbonylContact C-O 3.57Å; V250-A288 WeakPolarHBondContact CA-O 3.37Å; V250-V312 WeakPolarHBondContact O-CA 3.37Å; V250-V313 HydrophobicContact CB-CG2 3.85Å; V250-V313 HydrophobicContact CG2-CG2 4.37Å; V250-V313 PolarHBondContact N-O 2.72Å; V250-V313 PolarHBondContact O-N 2.95Å
251	L	95.7	Very high	92.5	Very high	6 Å²	6	48.6 Å²	48.6	3%	0.031	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	108.9	164.4	-98.9	74.9	0	0	0	109.4	L267 V271 A288 Y289 S290 A311 V312 F331	L251-L267 HydrophobicContact CD2-CD1 4.12Å; L251-L267 HydrophobicContact CD2-CD2 3.76Å; L251-L267 HydrophobicContact CD2-CG 3.61Å; L251-V271 HydrophobicContact CD1-CG2 3.98Å; L251-V271 HydrophobicContact CD2-CG2 3.54Å; L251-V271 HydrophobicContact CG-CG2 4.42Å; L251-A288 PolarHBondContact N-O 3.42Å; L251-Y289 HydrophobicContact CB-CD2 4.28Å; L251-Y289 WeakPolarHBondContact O-CA 3.39Å; L251-S290 PolarHBondContact O-N 3.37Å; L251-A311 WeakPolarHBondContact CA-O 3.47Å; L251-V312 HydrophobicContact CD1-CB 4.42Å; L251-V312 HydrophobicContact CD1-CG1 4.02Å; L251-V312 HydrophobicContact CD1-CG2 3.66Å; L251-V312 HydrophobicContact CG-CG2 3.81Å; L251-F331 HydrophobicContact CD1-CE2 3.95Å; L251-F331 HydrophobicContact CD1-CZ 4.43Å
252	Y	95	Very high	92.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	141.8	173.7	-74.8	-66.3	0	0	0	111.9	R235 V250 S290 F295 E298 I299 P310 A311 V313	R235-Y252 PolarHBondContact NH2-OH 2.83Å; V250-Y252 HydrophobicContact CB-CD2 4.33Å; V250-Y252 HydrophobicContact CB-CE2 3.94Å; V250-Y252 HydrophobicContact CG1-CD1 4.12Å; V250-Y252 HydrophobicContact CG1-CD2 3.96Å; V250-Y252 HydrophobicContact CG1-CE1 3.81Å; V250-Y252 HydrophobicContact CG1-CE2 3.66Å; V250-Y252 HydrophobicContact CG1-CG 4.19Å; Y252-S290 WeakPolarHBondContact CA-O 3.28Å; Y252-F295 HydrophobicContact CE1-CB 3.67Å; Y252-F295 HydrophobicContact CE1-CD2 4.09Å; Y252-F295 HydrophobicContact CE1-CG 4.05Å; Y252-E298 VanDerWaalsContact OH-CD 3.29Å; Y252-E298 PolarHBondContact OH-OE2 3Å; Y252-I299 HydrophobicContact CD1-CD1 3.7Å; Y252-I299 HydrophobicContact CD2-CD1 3.64Å; Y252-I299 HydrophobicContact CE1-CD1 4.13Å; Y252-I299 HydrophobicContact CE2-CD1 4.06Å; Y252-I299 HydrophobicContact CG-CD1 3.41Å; Y252-I299 VanDerWaalsContact CG-CD1 3.41Å; Y252-P310 CarbonylContact O-C 3.2Å; Y252-P310 WeakPolarHBondContact O-CA 3.49Å; Y252-P310 WeakPolarHBondContact O-CB 3.4Å; Y252-A311 PolarHBondContact N-O 3.38Å; Y252-A311 PolarHBondContact O-N 3.26Å; Y252-V313 HydrophobicContact CD2-CG2 4.12Å; Y252-V313 HydrophobicContact CE2-CG2 3.74Å
253	N	92	Very high	92.3	Very high	16 Å²	16	49.6 Å²	49.6	9%	0.086	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	160.8	174.6	-163	15.3	0	0	0	111.3	Q255 Y289 S290 F291 A292	N253-Q255 PolarHBondContact O-N 3.18Å; N253-Y289 HydrophobicContact CB-CE2 3.78Å; N253-Y289 WeakPolarHBondContact CB-OH 3.33Å; N253-Y289 PolarHBondContact ND2-OH 3.08Å; N253-S290 PolarHBondContact N-O 3.48Å; N253-F291 WeakPolarHBondContact O-CD2 3.22Å; N253-A292 WeakPolarHBondContact O-CB 3.47Å; N253-A292 PolarHBondContact O-N 3.3Å
254	N	90.6	Very high	92.1	Very high	87 Å²	87	49.2 Å²	49.2	47%	0.465	27%	0.273	S	S	.	.	S	Bend	trans	-83.4	9.9	-177.9	66.9	-7.6	0	0	0	114.1	F291 L309	N254-F291 VanDerWaalsContact C-CE2 3.44Å; N254-F291 WeakPolarHBondContact O-CE2 3.31Å; N254-L309 HydrophobicContact CB-CD1 3.85Å
255	Q	89.1	Confident	92.2	Very high	70 Å²	70	49 Å²	49	33%	0.327	27%	0.27	S	S	.	.	S	Bend	trans	-131.7	126.9	-178.6	-74.2	171.5	-26.3	0	0	110.1	N253 Y260 Y289	N253-Q255 PolarHBondContact O-N 3.18Å; Q255-Y260 HydrophobicContact CB-CD1 4.45Å; Q255-Y260 VanDerWaalsContact OE1-CE1 3.29Å; Q255-Y289 PolarHBondContact O-OH 2.9Å
256	S	89.9	Confident	92.3	Very high	18 Å²	18	47.6 Å²	47.6	13%	0.126	25%	0.253	C	S	.	.			trans	-72.5	155.3	175.1	73.3	0	0	0	0	111.1	D258 S259 Y260	S256-D258 PolarHBondContact O-N 3.32Å; S256-S259 PolarHBondContact N-OG 3.29Å; S256-S259 PolarHBondContact O-N 3.06Å; S256-S259 PolarHBondContact O-OG 3.31Å; S256-S259 WeakPolarHBondContact OG-CB 3.35Å; S256-S259 PolarHBondContact OG-N 2.89Å; S256-S259 VanDerWaalsContact OG-N 3.15Å; S256-S259 PolarHBondContact OG-OG 3.27Å; S256-Y260 PolarHBondContact O-N 3.01Å
257	I	90.9	Very high	92.2	Very high	10 Å²	10	46.9 Å²	46.9	5%	0.051	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-28	175.3	-166.9	161.6	0	0	0	112.4	R199 L200 Y234 P261 V264	R199-I257 HydrophobicContact CB-CD1 4.22Å; R199-I257 HydrophobicContact CG-CD1 3.85Å; L200-I257 HydrophobicContact CD2-CD1 4.12Å; Y234-I257 HydrophobicContact CD1-CG2 4.17Å; Y234-I257 HydrophobicContact CD2-CB 3.86Å; Y234-I257 HydrophobicContact CD2-CD1 4.14Å; Y234-I257 HydrophobicContact CD2-CG2 3.83Å; Y234-I257 HydrophobicContact CE1-CG2 3.85Å; Y234-I257 HydrophobicContact CE2-CB 3.57Å; Y234-I257 HydrophobicContact CE2-CG2 3.48Å; Y234-I257 VanDerWaalsContact CE2-CG2 3.48Å; Y234-I257 HydrophobicContact CG-CD1 4.49Å; Y234-I257 HydrophobicContact CG-CG2 4.16Å; Y234-I257 VanDerWaalsContact CZ-CG2 3.49Å; I257-P261 WeakPolarHBondContact O-CA 3.45Å; I257-P261 WeakPolarHBondContact O-CB 3.35Å; I257-P261 WeakPolarHBondContact O-CD 3.09Å; I257-V264 HydrophobicContact CB-CG1 4.35Å; I257-V264 HydrophobicContact CB-CG2 4.2Å; I257-V264 HydrophobicContact CD1-CG1 4.09Å; I257-V264 HydrophobicContact CG1-CB 4.33Å; I257-V264 HydrophobicContact CG1-CG1 4.16Å; I257-V264 HydrophobicContact CG1-CG2 4.45Å
258	D	90.2	Very high	92	Very high	109 Å²	109	45.1 Å²	45.1	58%	0.583	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-35.2	179.1	-54.8	-53.7	0	0	0	112.2	R199 S256	R199-D258 IonicContact CZ-OD1 3.91Å; R199-D258 IonicContact NH1-OD1 2.8Å; R199-D258 PolarHBondContact NH1-OD1 2.85Å; R199-D258 IonicContact NH2-OD1 3.74Å; R199-D258 PolarHBondContact NH2-OD1 2.93Å; R199-D258 VanDerWaalsContact NH2-OD1 3.16Å; S256-D258 PolarHBondContact O-N 3.32Å
259	S	91.5	Very high	91.8	Very high	81 Å²	81	46.3 Å²	46.3	57%	0.566	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-32.1	-178.5	58.1	0	0	0	0	113.4	S256	S256-S259 PolarHBondContact N-OG 3.29Å; S256-S259 PolarHBondContact O-N 3.06Å; S256-S259 PolarHBondContact O-OG 3.31Å; S256-S259 WeakPolarHBondContact OG-CB 3.35Å; S256-S259 PolarHBondContact OG-N 2.89Å; S256-S259 VanDerWaalsContact OG-N 3.15Å; S256-S259 PolarHBondContact OG-OG 3.27Å
260	Y	92.1	Very high	91.5	Very high	104 Å²	104	49.9 Å²	49.9	41%	0.408	26%	0.256	S	S	.	.			trans	-144.5	65.5	-178	-167.8	-125.5	0	0	0	113.4	Q255 S256 S262 G263 V264	Q255-Y260 HydrophobicContact CB-CD1 4.45Å; Q255-Y260 VanDerWaalsContact OE1-CE1 3.29Å; S256-Y260 PolarHBondContact O-N 3.01Å; Y260-S262 VanDerWaalsContact C-N 3.26Å; Y260-S262 WeakPolarHBondContact CE2-OG 3.44Å; Y260-S262 PolarHBondContact O-N 2.83Å; Y260-S262 VanDerWaalsContact O-N 3.17Å; Y260-G263 VanDerWaalsContact CD1-CA 3.48Å; Y260-G263 PolarHBondContact O-N 3.27Å; Y260-V264 WeakPolarHBondContact O-CG2 3.48Å; Y260-V264 PolarHBondContact O-N 3.15Å
261	P	91.3	Very high	91.3	Very high	78 Å²	78	49.9 Å²	49.9	51%	0.506	26%	0.256	S	S	.	.	H	α-helix	trans	-59.6	-32.7	-174	21	-32.6	0	0	0	113.6	I257 K265	I257-P261 WeakPolarHBondContact O-CA 3.45Å; I257-P261 WeakPolarHBondContact O-CB 3.35Å; I257-P261 WeakPolarHBondContact O-CD 3.09Å; P261-K265 VanDerWaalsContact O-CB 3.22Å; P261-K265 WeakPolarHBondContact O-CB 3.25Å; P261-K265 PolarHBondContact O-N 3.15Å
262	S	90.8	Very high	91.2	Very high	75 Å²	75	49.6 Å²	49.6	52%	0.524	26%	0.255	S	S	.	.	H	α-helix	trans	-67.9	-39.8	-179.5	55.6	0	0	0	0	112.9	Y260 K265 Y266	Y260-S262 VanDerWaalsContact C-N 3.26Å; Y260-S262 WeakPolarHBondContact CE2-OG 3.44Å; Y260-S262 PolarHBondContact O-N 2.83Å; Y260-S262 VanDerWaalsContact O-N 3.17Å; S262-K265 PolarHBondContact O-N 3.36Å; S262-Y266 WeakPolarHBondContact O-CB 3.43Å; S262-Y266 PolarHBondContact O-N 3.19Å
263	G	87.7	Confident	91.1	Very high	11 Å²	11	55 Å²	55	11%	0.113	28%	0.279	C	S	.	.	H	α-helix	trans	-69.2	-43.2	176.2	0	0	0	0	0	112.7	Y260 K265 Y266 L267	Y260-G263 VanDerWaalsContact CD1-CA 3.48Å; Y260-G263 PolarHBondContact O-N 3.27Å; G263-K265 VanDerWaalsContact C-N 3.32Å; G263-K265 PolarHBondContact O-N 3.23Å; G263-Y266 WeakPolarHBondContact O-CB 3.36Å; G263-Y266 PolarHBondContact O-N 3.11Å; G263-L267 PolarHBondContact O-N 2.71Å
264	V	89.6	Confident	91.2	Very high	2 Å²	2	55 Å²	55	1%	0.012	28%	0.279	C	S	.	.	H	α-helix	trans	-57.4	-49.1	173.3	-178.5	0	0	0	0	109.8	I257 Y260 Y266 L267 R268 Y289	I257-V264 HydrophobicContact CB-CG1 4.35Å; I257-V264 HydrophobicContact CB-CG2 4.2Å; I257-V264 HydrophobicContact CD1-CG1 4.09Å; I257-V264 HydrophobicContact CG1-CB 4.33Å; I257-V264 HydrophobicContact CG1-CG1 4.16Å; I257-V264 HydrophobicContact CG1-CG2 4.45Å; Y260-V264 WeakPolarHBondContact O-CG2 3.48Å; Y260-V264 PolarHBondContact O-N 3.15Å; V264-Y266 VanDerWaalsContact C-N 3.33Å; V264-Y266 PolarHBondContact O-N 2.91Å; V264-L267 PolarHBondContact O-N 3.43Å; V264-R268 WeakPolarHBondContact O-CB 3.26Å; V264-R268 PolarHBondContact O-N 2.9Å; V264-Y289 HydrophobicContact CB-CE1 4.31Å; V264-Y289 HydrophobicContact CB-CE2 4.44Å; V264-Y289 HydrophobicContact CG1-CD1 3.76Å; V264-Y289 HydrophobicContact CG1-CD2 4.06Å; V264-Y289 HydrophobicContact CG1-CE1 3.72Å; V264-Y289 HydrophobicContact CG1-CE2 4Å; V264-Y289 HydrophobicContact CG1-CG 3.91Å; V264-Y289 HydrophobicContact CG2-CE1 3.73Å; V264-Y289 HydrophobicContact CG2-CE2 4.34Å; V264-Y289 VanDerWaalsContact CG2-OH 3.26Å; V264-Y289 WeakPolarHBondContact CG2-OH 3.46Å
265	K	91.6	Very high	91.3	Very high	109 Å²	109	51.5 Å²	51.5	47%	0.474	26%	0.26	S	S	.	.	H	α-helix	trans	-60.1	-40.4	177.6	-174.7	168.5	-175.8	166.5	0	112.5	P261 S262 G263 N269	P261-K265 VanDerWaalsContact O-CB 3.22Å; P261-K265 WeakPolarHBondContact O-CB 3.25Å; P261-K265 PolarHBondContact O-N 3.15Å; S262-K265 PolarHBondContact O-N 3.36Å; G263-K265 VanDerWaalsContact C-N 3.32Å; G263-K265 PolarHBondContact O-N 3.23Å; K265-N269 WeakPolarHBondContact O-CB 3.42Å; K265-N269 PolarHBondContact O-N 2.95Å; K265-N269 PolarHBondContact O-ND2 3.06Å
266	Y	90.6	Very high	91.4	Very high	143 Å²	143	53.6 Å²	53.6	56%	0.561	27%	0.268	S	S	*	.	H	α-helix	trans	-62.1	-45.6	178.4	172.7	-91	0	0	0	112.6	S262 G263 V264 R270	S262-Y266 WeakPolarHBondContact O-CB 3.43Å; S262-Y266 PolarHBondContact O-N 3.19Å; G263-Y266 WeakPolarHBondContact O-CB 3.36Å; G263-Y266 PolarHBondContact O-N 3.11Å; V264-Y266 VanDerWaalsContact C-N 3.33Å; V264-Y266 PolarHBondContact O-N 2.91Å; Y266-R270 VanDerWaalsContact CE2-CZ 3.44Å; Y266-R270 PolarHBondContact O-NH1 3.2Å; Y266-R270 PolarHBondContact OH-NH2 3.14Å
267	L	89.3	Confident	91.4	Very high	13 Å²	13	57.6 Å²	57.6	7%	0.068	29%	0.288	C	S	.	.	H	α-helix	trans	-75.2	-44.2	-179.8	-174.2	60.1	0	0	0	111.7	L251 G263 V264 N269 R270 V271 Y289 P310 F326	L251-L267 HydrophobicContact CD2-CD1 4.12Å; L251-L267 HydrophobicContact CD2-CD2 3.76Å; L251-L267 HydrophobicContact CD2-CG 3.61Å; G263-L267 PolarHBondContact O-N 2.71Å; V264-L267 PolarHBondContact O-N 3.43Å; L267-N269 VanDerWaalsContact C-N 3.35Å; L267-N269 PolarHBondContact O-N 3.39Å; L267-R270 VanDerWaalsContact O-CB 3.3Å; L267-R270 WeakPolarHBondContact O-CB 3.39Å; L267-R270 PolarHBondContact O-N 3.08Å; L267-R270 VanDerWaalsContact O-N 3.11Å; L267-V271 PolarHBondContact O-N 3.02Å; L267-Y289 HydrophobicContact CD2-CE2 4.29Å; L267-P310 HydrophobicContact CD2-CB 3.85Å; L267-P310 HydrophobicContact CD2-CG 4.2Å; L267-F326 HydrophobicContact CD1-CD1 4.33Å; L267-F326 HydrophobicContact CD1-CE1 3.37Å; L267-F326 HydrophobicContact CD1-CZ 3.54Å
268	R	92.9	Very high	91.5	Very high	10 Å²	10	60.3 Å²	60.3	4%	0.038	30%	0.303	C	S	.	.	H	α-helix	trans	-56.4	-45.5	175.3	-177.7	178.8	176.5	-87	-9.9	112.2	L200 E205 V232 V264 R270 V271 L272	L200-R268 PolarHBondContact O-NH1 2.77Å; E205-R268 IonicContact OE1-CZ 3.66Å; E205-R268 IonicContact OE1-NH1 2.7Å; E205-R268 IonicContact OE1-NH2 2.69Å; E205-R268 PolarHBondContact OE1-NH2 3.07Å; V232-R268 HydrophobicContact CB-CG 4.01Å; V232-R268 HydrophobicContact CG1-CG 3.9Å; V232-R268 PolarHBondContact O-NE 2.78Å; V232-R268 PolarHBondContact O-NH2 2.81Å; V264-R268 WeakPolarHBondContact O-CB 3.26Å; V264-R268 PolarHBondContact O-N 2.9Å; R268-R270 PolarHBondContact O-N 2.9Å; R268-V271 PolarHBondContact O-N 3.13Å; R268-L272 HydrophobicContact CG-CD1 4.03Å; R268-L272 HydrophobicContact CG-CG 4.45Å; R268-L272 WeakPolarHBondContact O-CG 3.33Å; R268-L272 PolarHBondContact O-N 3Å
269	N	92.8	Very high	91.4	Very high	31 Å²	31	59.3 Å²	59.3	17%	0.166	30%	0.302	C	S	.	.	H	α-helix	trans	-63.1	-26.7	179.1	-79	-19.2	0	0	0	113.7	T202 F204 K265 L267 K273	T202-N269 PolarHBondContact OG1-OD1 3.42Å; F204-N269 HydrophobicContact CD2-CB 4.06Å; F204-N269 WeakPolarHBondContact CD2-OD1 3.28Å; F204-N269 HydrophobicContact CE2-CB 3.59Å; F204-N269 HydrophobicContact CZ-CB 4.43Å; K265-N269 WeakPolarHBondContact O-CB 3.42Å; K265-N269 PolarHBondContact O-N 2.95Å; K265-N269 PolarHBondContact O-ND2 3.06Å; L267-N269 VanDerWaalsContact C-N 3.35Å; L267-N269 PolarHBondContact O-N 3.39Å; N269-K273 WeakPolarHBondContact O-CB 3.4Å; N269-K273 PolarHBondContact O-N 3.45Å
270	R	90.7	Very high	91.4	Very high	74 Å²	74	61.6 Å²	61.6	28%	0.279	30%	0.304	S	S	.	.	H	α-helix	trans	-70.5	-46.4	174.6	-95.8	178.5	-169.7	71.4	5.8	111.9	Y266 L267 R268 K273 T274 L328	Y266-R270 VanDerWaalsContact CE2-CZ 3.44Å; Y266-R270 PolarHBondContact O-NH1 3.2Å; Y266-R270 PolarHBondContact OH-NH2 3.14Å; L267-R270 VanDerWaalsContact O-CB 3.3Å; L267-R270 WeakPolarHBondContact O-CB 3.39Å; L267-R270 PolarHBondContact O-N 3.08Å; L267-R270 VanDerWaalsContact O-N 3.11Å; R268-R270 PolarHBondContact O-N 2.9Å; R270-K273 WeakPolarHBondContact O-CB 3.49Å; R270-K273 PolarHBondContact O-N 3.33Å; R270-T274 PolarHBondContact O-N 3.33Å; R270-T274 PolarHBondContact O-OG1 3.49Å; R270-L328 HydrophobicContact CB-CD2 3.71Å; R270-L328 HydrophobicContact CG-CD1 4.05Å; R270-L328 HydrophobicContact CG-CD2 3.92Å; R270-L328 HydrophobicContact CG-CG 4.41Å
271	V	93.4	Very high	91.4	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.9	-49.6	172.9	176.1	0	0	0	0	110	V232 L251 L267 R268 K273 T274 L275 F287 F331	V232-V271 HydrophobicContact CG2-CB 4.3Å; V232-V271 HydrophobicContact CG2-CG1 3.72Å; L251-V271 HydrophobicContact CD1-CG2 3.98Å; L251-V271 HydrophobicContact CD2-CG2 3.54Å; L251-V271 HydrophobicContact CG-CG2 4.42Å; L267-V271 PolarHBondContact O-N 3.02Å; R268-V271 PolarHBondContact O-N 3.13Å; V271-K273 PolarHBondContact O-N 2.97Å; V271-T274 WeakPolarHBondContact O-CA 3.29Å; V271-T274 WeakPolarHBondContact O-CB 3.42Å; V271-T274 PolarHBondContact O-N 3.29Å; V271-L275 HydrophobicContact CG1-CD1 4.29Å; V271-L275 HydrophobicContact CG1-CG 4.35Å; V271-L275 WeakPolarHBondContact O-CG 3.27Å; V271-L275 PolarHBondContact O-N 3.09Å; V271-F287 HydrophobicContact CG1-CD1 4.05Å; V271-F331 HydrophobicContact CB-CE1 4.27Å; V271-F331 HydrophobicContact CB-CZ 4.38Å; V271-F331 HydrophobicContact CG1-CE1 3.89Å; V271-F331 HydrophobicContact CG1-CZ 3.72Å; V271-F331 HydrophobicContact CG2-CE1 3.97Å; V271-F331 HydrophobicContact CG2-CZ 3.96Å
272	L	94.3	Very high	91.5	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-54.9	-39.7	177.2	-76.7	167.8	0	0	0	113.1	T202 F204 L231 V232 R268 L275 K276	T202-L272 HydrophobicContact CG2-CD1 3.66Å; F204-L272 HydrophobicContact CB-CB 3.96Å; F204-L272 HydrophobicContact CB-CD1 4.36Å; F204-L272 HydrophobicContact CG-CB 4.29Å; L231-L272 HydrophobicContact CB-CD2 3.6Å; L231-L272 HydrophobicContact CD1-CD2 4.23Å; L231-L272 HydrophobicContact CG-CD2 4.49Å; V232-L272 HydrophobicContact CB-CD2 4.21Å; V232-L272 HydrophobicContact CB-CG 4.33Å; V232-L272 HydrophobicContact CG2-CD2 3.69Å; V232-L272 HydrophobicContact CG2-CG 3.82Å; R268-L272 HydrophobicContact CG-CD1 4.03Å; R268-L272 HydrophobicContact CG-CG 4.45Å; R268-L272 WeakPolarHBondContact O-CG 3.33Å; R268-L272 PolarHBondContact O-N 3Å; L272-L275 PolarHBondContact O-N 2.96Å; L272-K276 VanDerWaalsContact O-CB 3.3Å; L272-K276 WeakPolarHBondContact O-CB 3.3Å; L272-K276 PolarHBondContact O-N 2.81Å
273	K	92.6	Very high	91.5	Very high	115 Å²	115	60.1 Å²	60.1	50%	0.5	28%	0.282	S	S	.	.	H	α-helix	trans	-61.4	-47.5	175.1	-171.7	-175.5	175.4	-168	0	111.1	F204 N269 R270 V271 L275 K276 D277	F204-K273 HydrophobicContact CE1-CB 4.26Å; F204-K273 HydrophobicContact CE1-CG 4.46Å; N269-K273 WeakPolarHBondContact O-CB 3.4Å; N269-K273 PolarHBondContact O-N 3.45Å; R270-K273 WeakPolarHBondContact O-CB 3.49Å; R270-K273 PolarHBondContact O-N 3.33Å; V271-K273 PolarHBondContact O-N 2.97Å; K273-L275 VanDerWaalsContact C-N 3.29Å; K273-L275 PolarHBondContact O-N 3.38Å; K273-K276 PolarHBondContact O-N 2.9Å; K273-D277 WeakPolarHBondContact O-CB 3.11Å; K273-D277 PolarHBondContact O-N 2.82Å
274	T	92.5	Very high	91.8	Very high	15 Å²	15	64.8 Å²	64.8	9%	0.092	31%	0.305	C	S	.	.	H	α-helix	trans	-56.3	-42.6	175.4	-59.8	0	0	0	0	112.1	R270 V271 N278 F282 F331	R270-T274 PolarHBondContact O-N 3.33Å; R270-T274 PolarHBondContact O-OG1 3.49Å; V271-T274 WeakPolarHBondContact O-CA 3.29Å; V271-T274 WeakPolarHBondContact O-CB 3.42Å; V271-T274 PolarHBondContact O-N 3.29Å; T274-N278 PolarHBondContact O-N 2.89Å; T274-N278 PolarHBondContact O-ND2 2.84Å; T274-F282 HydrophobicContact CG2-CE2 4.27Å; T274-F331 HydrophobicContact CG2-CD1 4.49Å; T274-F331 HydrophobicContact CG2-CE1 4.35Å
275	L	93.5	Very high	92	Very high	13 Å²	13	65.2 Å²	65.2	7%	0.068	31%	0.307	C	S	.	.	H	α-helix	trans	-67.9	-43.3	178	-57	-176.1	0	0	0	112.2	L231 V232 V271 L272 K273 D277 N278 P279 F282 F287	L231-L275 HydrophobicContact CB-CD1 4.27Å; V232-L275 HydrophobicContact CG2-CD1 3.82Å; V271-L275 HydrophobicContact CG1-CD1 4.29Å; V271-L275 HydrophobicContact CG1-CG 4.35Å; V271-L275 WeakPolarHBondContact O-CG 3.27Å; V271-L275 PolarHBondContact O-N 3.09Å; L272-L275 PolarHBondContact O-N 2.96Å; K273-L275 VanDerWaalsContact C-N 3.29Å; K273-L275 PolarHBondContact O-N 3.38Å; L275-D277 VanDerWaalsContact C-N 3.3Å; L275-D277 PolarHBondContact O-N 3.06Å; L275-N278 CarbonylContact O-C 3.48Å; L275-N278 PolarHBondContact O-N 3.08Å; L275-P279 WeakPolarHBondContact O-CA 3.4Å; L275-F282 HydrophobicContact CD2-CB 4.07Å; L275-F282 HydrophobicContact CD2-CD2 3.94Å; L275-F282 HydrophobicContact CD2-CG 4.37Å; L275-F287 HydrophobicContact CD1-CD1 4.39Å; L275-F287 HydrophobicContact CD1-CD2 3.57Å; L275-F287 HydrophobicContact CD1-CE2 3.81Å; L275-F287 HydrophobicContact CD1-CG 3.91Å; L275-F287 HydrophobicContact CD1-CZ 4.35Å; L275-F287 HydrophobicContact CD2-CD1 4.42Å; L275-F287 HydrophobicContact CD2-CD2 4.12Å; L275-F287 HydrophobicContact CD2-CE1 3.85Å; L275-F287 HydrophobicContact CD2-CE2 3.49Å; L275-F287 VanDerWaalsContact CD2-CE2 3.49Å; L275-F287 HydrophobicContact CD2-CZ 3.35Å; L275-F287 HydrophobicContact CG-CD2 4.49Å; L275-F287 HydrophobicContact CG-CE2 4.3Å; L275-F287 HydrophobicContact CG-CZ 4.45Å
276	K	91.2	Very high	92.2	Very high	115 Å²	115	62.4 Å²	62.4	50%	0.5	30%	0.299	S	S	.	.	H	α-helix	trans	-62.6	-37.7	177.7	-176.2	177.1	-177.1	167.4	0	112.2	F204 L272 K273 N278 P279	F204-K276 HydrophobicContact CD1-CD 4.36Å; L272-K276 VanDerWaalsContact O-CB 3.3Å; L272-K276 WeakPolarHBondContact O-CB 3.3Å; L272-K276 PolarHBondContact O-N 2.81Å; K273-K276 PolarHBondContact O-N 2.9Å; K276-N278 PolarHBondContact O-N 3.38Å; K276-P279 WeakPolarHBondContact O-CD 3.28Å
277	D	91.1	Very high	92.5	Very high	102 Å²	102	56 Å²	56	55%	0.545	27%	0.274	S	S	.	.	H	α-helix	trans	-73.4	-15.8	177.2	-64.5	-16.2	0	0	0	111.6	K273 L275	K273-D277 WeakPolarHBondContact O-CB 3.11Å; K273-D277 PolarHBondContact O-N 2.82Å; L275-D277 VanDerWaalsContact C-N 3.3Å; L275-D277 PolarHBondContact O-N 3.06Å
278	N	91.4	Very high	92.9	Very high	66 Å²	66	55.4 Å²	55.4	35%	0.353	27%	0.271	S	S	.	.	S	Bend	trans	-135.5	54.8	-177.4	-61.4	-87.1	0	0	0	113.5	T274 L275 K276 Q280 K281 F282	T274-N278 PolarHBondContact O-N 2.89Å; T274-N278 PolarHBondContact O-ND2 2.84Å; L275-N278 CarbonylContact O-C 3.48Å; L275-N278 PolarHBondContact O-N 3.08Å; K276-N278 PolarHBondContact O-N 3.38Å; N278-Q280 VanDerWaalsContact C-N 3.27Å; N278-Q280 PolarHBondContact O-N 3.19Å; N278-Q280 VanDerWaalsContact O-N 3.1Å; N278-K281 HydrophobicContact CB-CB 4.14Å; N278-K281 PolarHBondContact O-N 2.82Å; N278-K281 VanDerWaalsContact O-N 3.12Å; N278-F282 HydrophobicContact CB-CD2 3.95Å; N278-F282 HydrophobicContact CB-CE2 3.74Å
279	P	88.4	Confident	93	Very high	88 Å²	88	55 Å²	55	57%	0.571	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-24.9	-163.3	26.5	-35.5	0	0	0	114.6	L275 K276	L275-P279 WeakPolarHBondContact O-CA 3.4Å; K276-P279 WeakPolarHBondContact O-CD 3.28Å
280	Q	92.1	Very high	93.1	Very high	130 Å²	130	53.6 Å²	53.6	61%	0.607	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-22.9	178.8	-66.8	-57.3	-44.4	0	0	113.6	N278 K283	N278-Q280 VanDerWaalsContact C-N 3.27Å; N278-Q280 PolarHBondContact O-N 3.19Å; N278-Q280 VanDerWaalsContact O-N 3.1Å; Q280-K283 WeakPolarHBondContact O-CG 3.29Å
281	K	92	Very high	93.3	Very high	86 Å²	86	51.6 Å²	51.6	37%	0.374	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-44.7	-170.5	-168.1	169.4	-172.6	172.7	0	111.7	N278 N336	N278-K281 HydrophobicContact CB-CB 4.14Å; N278-K281 PolarHBondContact O-N 2.82Å; N278-K281 VanDerWaalsContact O-N 3.12Å; K281-N336 WeakPolarHBondContact CD-OD1 3.11Å; K281-N336 WeakPolarHBondContact CE-OD1 3.31Å; K281-N336 PolarHBondContact NZ-OD1 2.95Å
282	F	93.3	Very high	93.4	Very high	8 Å²	8	51.8 Å²	51.8	4%	0.035	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	20	-173.9	-51.8	-52.8	0	0	0	113	T274 L275 N278 N284 L285 F287 L335 N336 E339	T274-F282 HydrophobicContact CG2-CE2 4.27Å; L275-F282 HydrophobicContact CD2-CB 4.07Å; L275-F282 HydrophobicContact CD2-CD2 3.94Å; L275-F282 HydrophobicContact CD2-CG 4.37Å; N278-F282 HydrophobicContact CB-CD2 3.95Å; N278-F282 HydrophobicContact CB-CE2 3.74Å; F282-N284 PolarHBondContact O-N 3.16Å; F282-N284 VanDerWaalsContact O-N 3.16Å; F282-L285 HydrophobicContact CB-CD1 4.18Å; F282-L285 HydrophobicContact CD1-CD1 4.09Å; F282-L285 HydrophobicContact CG-CD1 4.49Å; F282-L285 PolarHBondContact O-N 2.79Å; F282-L285 VanDerWaalsContact O-N 3.11Å; F282-F287 HydrophobicContact CB-CE2 4.28Å; F282-F287 HydrophobicContact CB-CZ 4.07Å; F282-L335 HydrophobicContact CD1-CB 3.96Å; F282-L335 HydrophobicContact CD1-CD1 4.31Å; F282-L335 HydrophobicContact CD2-CD1 4.17Å; F282-L335 HydrophobicContact CE1-CB 3.44Å; F282-L335 VanDerWaalsContact CE1-CB 3.44Å; F282-L335 HydrophobicContact CE1-CD1 4.25Å; F282-L335 HydrophobicContact CE2-CD1 4.1Å; F282-L335 HydrophobicContact CG-CD1 4.27Å; F282-L335 HydrophobicContact CZ-CB 3.76Å; F282-L335 HydrophobicContact CZ-CD1 4.13Å; F282-N336 WeakPolarHBondContact CZ-OD1 3.47Å; F282-E339 HydrophobicContact CD1-CG 4.03Å; F282-E339 HydrophobicContact CE1-CG 4.27Å
283	K	91.5	Very high	93.3	Very high	131 Å²	131	56.9 Å²	56.9	57%	0.57	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-18.2	-171.3	70.1	-178.4	175.8	-176.4	0	114.5	Q280	Q280-K283 WeakPolarHBondContact O-CG 3.29Å
284	N	92.4	Very high	93.4	Very high	109 Å²	109	54.6 Å²	54.6	58%	0.583	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-11.5	179.2	-63.2	-28.9	0	0	0	112.3	F282	F282-N284 PolarHBondContact O-N 3.16Å; F282-N284 VanDerWaalsContact O-N 3.16Å
285	L	95.2	Very high	93.5	Very high	12 Å²	12	53.9 Å²	53.9	6%	0.063	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	141.3	176.1	-58.5	-179.7	0	0	0	109.9	D247 V249 F282 F287 L335 F338 E339	D247-L285 HydrophobicContact CB-CD2 3.72Å; V249-L285 HydrophobicContact CG2-CB 4.19Å; V249-L285 HydrophobicContact CG2-CD1 4.09Å; F282-L285 HydrophobicContact CB-CD1 4.18Å; F282-L285 HydrophobicContact CD1-CD1 4.09Å; F282-L285 HydrophobicContact CG-CD1 4.49Å; F282-L285 PolarHBondContact O-N 2.79Å; F282-L285 VanDerWaalsContact O-N 3.11Å; L285-F287 HydrophobicContact CB-CD2 4.35Å; L285-F287 HydrophobicContact CB-CE2 3.49Å; L285-F287 VanDerWaalsContact CB-CE2 3.49Å; L285-F287 HydrophobicContact CB-CZ 3.63Å; L285-F287 HydrophobicContact CD1-CZ 3.88Å; L285-F287 HydrophobicContact CG-CZ 4.4Å; L285-L335 HydrophobicContact CD1-CD2 4.05Å; L285-F338 HydrophobicContact CD1-CD1 4.47Å; L285-F338 HydrophobicContact CD2-CD1 3.78Å; L285-F338 HydrophobicContact CD2-CE1 3.48Å; L285-F338 VanDerWaalsContact CD2-CE1 3.48Å; L285-E339 WeakPolarHBondContact CG-OE1 3.36Å
286	V	95.9	Very high	93.4	Very high	49 Å²	49	56.8 Å²	56.8	30%	0.297	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	135.3	170.2	177.6	0	0	0	0	107.8	F243 S246 D247 L248 V249	F243-V286 HydrophobicContact CD1-CG1 3.73Å; F243-V286 HydrophobicContact CE1-CG1 4.37Å; S246-V286 VanDerWaalsContact CB-CG2 3.45Å; D247-V286 PolarHBondContact O-N 3.09Å; L248-V286 CarbonylContact C-O 3.53Å; L248-V286 WeakPolarHBondContact CA-O 3.28Å; L248-V286 HydrophobicContact CD1-CB 4.24Å; L248-V286 HydrophobicContact CD1-CG1 3.97Å; V249-V286 PolarHBondContact N-O 2.79Å
287	F	97	Very high	93.3	Very high	8 Å²	8	57.7 Å²	57.7	4%	0.035	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137.7	-177.2	-61.1	-99.5	0	0	0	110.9	L231 V232 G233 V249 V271 L275 F282 L285 F331 L335	L231-F287 WeakPolarHBondContact O-CB 3.2Å; V232-F287 CarbonylContact C-O 3.5Å; V232-F287 WeakPolarHBondContact CA-O 3.33Å; V232-F287 HydrophobicContact CB-CB 4.24Å; V232-F287 HydrophobicContact CG1-CB 4.15Å; V232-F287 HydrophobicContact CG2-CB 3.87Å; G233-F287 PolarHBondContact N-O 2.64Å; V249-F287 HydrophobicContact CB-CD1 3.52Å; V249-F287 HydrophobicContact CB-CE1 3.71Å; V249-F287 HydrophobicContact CB-CG 4.24Å; V249-F287 HydrophobicContact CG1-CD1 3.79Å; V249-F287 HydrophobicContact CG1-CE1 3.88Å; V249-F287 HydrophobicContact CG2-CD1 3.93Å; V249-F287 HydrophobicContact CG2-CE1 3.61Å; V249-F287 HydrophobicContact CG2-CZ 4.06Å; V249-F287 CarbonylContact O-C 3.59Å; V249-F287 WeakPolarHBondContact O-CA 3.37Å; V271-F287 HydrophobicContact CG1-CD1 4.05Å; L275-F287 HydrophobicContact CD1-CD1 4.39Å; L275-F287 HydrophobicContact CD1-CD2 3.57Å; L275-F287 HydrophobicContact CD1-CE2 3.81Å; L275-F287 HydrophobicContact CD1-CG 3.91Å; L275-F287 HydrophobicContact CD1-CZ 4.35Å; L275-F287 HydrophobicContact CD2-CD1 4.42Å; L275-F287 HydrophobicContact CD2-CD2 4.12Å; L275-F287 HydrophobicContact CD2-CE1 3.85Å; L275-F287 HydrophobicContact CD2-CE2 3.49Å; L275-F287 VanDerWaalsContact CD2-CE2 3.49Å; L275-F287 HydrophobicContact CD2-CZ 3.35Å; L275-F287 HydrophobicContact CG-CD2 4.49Å; L275-F287 HydrophobicContact CG-CE2 4.3Å; L275-F287 HydrophobicContact CG-CZ 4.45Å; F282-F287 HydrophobicContact CB-CE2 4.28Å; F282-F287 HydrophobicContact CB-CZ 4.07Å; L285-F287 HydrophobicContact CB-CD2 4.35Å; L285-F287 HydrophobicContact CB-CE2 3.49Å; L285-F287 VanDerWaalsContact CB-CE2 3.49Å; L285-F287 HydrophobicContact CB-CZ 3.63Å; L285-F287 HydrophobicContact CD1-CZ 3.88Å; L285-F287 HydrophobicContact CG-CZ 4.4Å; F287-F331 HydrophobicContact CD1-CZ 4.35Å; F287-F331 HydrophobicContact CE1-CZ 4.06Å; F287-L335 HydrophobicContact CE1-CD1 3.85Å; F287-L335 HydrophobicContact CE1-CD2 3.96Å; F287-L335 HydrophobicContact CZ-CD1 4.08Å; F287-L335 HydrophobicContact CZ-CD2 4.38Å
288	A	96.3	Very high	93.4	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.008	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	147.3	175.7	0	0	0	0	0	111.6	G233 R235 F243 L248 V249 V250 L251	G233-A288 CarbonylContact O-C 3.47Å; G233-A288 WeakPolarHBondContact O-CA 3.03Å; R235-A288 HydrophobicContact CB-CB 3.76Å; F243-A288 HydrophobicContact CD1-CB 3.86Å; F243-A288 HydrophobicContact CE1-CB 3.61Å; F243-A288 HydrophobicContact CZ-CB 4.16Å; L248-A288 HydrophobicContact CD1-CB 4Å; V249-A288 PolarHBondContact O-N 3.09Å; V250-A288 CarbonylContact C-O 3.57Å; V250-A288 WeakPolarHBondContact CA-O 3.37Å; L251-A288 PolarHBondContact N-O 3.42Å
289	Y	95.1	Very high	93.4	Very high	3 Å²	3	51.5 Å²	51.5	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	136.4	158.1	-178.7	-81.5	0	0	0	108.9	G233 Y234 R235 L251 N253 Q255 V264 L267	G233-Y289 PolarHBondContact O-N 2.95Å; Y234-Y289 WeakPolarHBondContact CA-O 3.23Å; Y234-Y289 AromaticContact CD2-CD1 3.68Å; Y234-Y289 HydrophobicContact CD2-CD1 3.68Å; Y234-Y289 HydrophobicContact CD2-CE1 4.4Å; Y234-Y289 AromaticContact CE2-CD1 3.65Å; Y234-Y289 HydrophobicContact CE2-CD1 3.65Å; Y234-Y289 AromaticContact CE2-CE1 3.97Å; Y234-Y289 HydrophobicContact CE2-CE1 3.97Å; R235-Y289 PolarHBondContact N-O 2.91Å; L251-Y289 HydrophobicContact CB-CD2 4.28Å; L251-Y289 WeakPolarHBondContact O-CA 3.39Å; N253-Y289 HydrophobicContact CB-CE2 3.78Å; N253-Y289 WeakPolarHBondContact CB-OH 3.33Å; N253-Y289 PolarHBondContact ND2-OH 3.08Å; Q255-Y289 PolarHBondContact O-OH 2.9Å; V264-Y289 HydrophobicContact CB-CE1 4.31Å; V264-Y289 HydrophobicContact CB-CE2 4.44Å; V264-Y289 HydrophobicContact CG1-CD1 3.76Å; V264-Y289 HydrophobicContact CG1-CD2 4.06Å; V264-Y289 HydrophobicContact CG1-CE1 3.72Å; V264-Y289 HydrophobicContact CG1-CE2 4Å; V264-Y289 HydrophobicContact CG1-CG 3.91Å; V264-Y289 HydrophobicContact CG2-CE1 3.73Å; V264-Y289 HydrophobicContact CG2-CE2 4.34Å; V264-Y289 VanDerWaalsContact CG2-OH 3.26Å; V264-Y289 WeakPolarHBondContact CG2-OH 3.46Å; L267-Y289 HydrophobicContact CD2-CE2 4.29Å
290	S	95.8	Very high	93.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	143.8	175.5	-76.9	0	0	0	0	111.5	R235 L251 Y252 N253	R235-S290 WeakPolarHBondContact CB-OG 3.46Å; R235-S290 PolarHBondContact NE-OG 2.71Å; R235-S290 PolarHBondContact O-OG 2.73Å; L251-S290 PolarHBondContact O-N 3.37Å; Y252-S290 WeakPolarHBondContact CA-O 3.28Å; N253-S290 PolarHBondContact N-O 3.48Å
291	F	95	Very high	93.2	Very high	33 Å²	33	46.7 Å²	46.7	15%	0.145	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	125.7	167.2	179.4	-140.3	0	0	0	109	N253 N254 D293 D294	N253-F291 WeakPolarHBondContact O-CD2 3.22Å; N254-F291 VanDerWaalsContact C-CE2 3.44Å; N254-F291 WeakPolarHBondContact O-CE2 3.31Å; F291-D293 VanDerWaalsContact C-N 3.3Å; F291-D293 HydrophobicContact CD1-CB 4.17Å; F291-D293 HydrophobicContact CE1-CB 3.6Å; F291-D293 HydrophobicContact CE2-CB 4.21Å; F291-D293 HydrophobicContact CZ-CB 3.61Å; F291-D293 VanDerWaalsContact CZ-CG 3.5Å; F291-D293 VanDerWaalsContact CZ-OD2 3.23Å; F291-D293 WeakPolarHBondContact CZ-OD2 3.43Å; F291-D293 PolarHBondContact O-N 3.48Å; F291-D294 PolarHBondContact O-N 2.61Å
292	A	94.8	Very high	93.2	Very high	3 Å²	3	42.8 Å²	42.8	3%	0.025	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-38.4	-171.9	0	0	0	0	0	112.9	N253 D294 F295 S296 I299 L309	N253-A292 WeakPolarHBondContact O-CB 3.47Å; N253-A292 PolarHBondContact O-N 3.3Å; A292-D294 VanDerWaalsContact C-N 3.33Å; A292-D294 PolarHBondContact O-N 2.82Å; A292-F295 CarbonylContact O-C 3.49Å; A292-F295 PolarHBondContact O-N 2.81Å; A292-F295 VanDerWaalsContact O-N 3.09Å; A292-S296 PolarHBondContact O-N 3.38Å; A292-I299 HydrophobicContact CB-CD1 4.03Å; A292-I299 HydrophobicContact CB-CG1 4.07Å; A292-L309 HydrophobicContact CB-CD1 3.72Å; A292-L309 HydrophobicContact CB-CD2 4.33Å
293	D	93.1	Very high	93	Very high	108 Å²	108	44.3 Å²	44.3	58%	0.578	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-66.6	-35.2	-176.7	-65.4	-2	0	0	0	112.5	F291 F295 S296	F291-D293 VanDerWaalsContact C-N 3.3Å; F291-D293 HydrophobicContact CD1-CB 4.17Å; F291-D293 HydrophobicContact CE1-CB 3.6Å; F291-D293 HydrophobicContact CE2-CB 4.21Å; F291-D293 HydrophobicContact CZ-CB 3.61Å; F291-D293 VanDerWaalsContact CZ-CG 3.5Å; F291-D293 VanDerWaalsContact CZ-OD2 3.23Å; F291-D293 WeakPolarHBondContact CZ-OD2 3.43Å; F291-D293 PolarHBondContact O-N 3.48Å; D293-F295 PolarHBondContact O-N 2.75Å; D293-S296 PolarHBondContact O-N 2.87Å; D293-S296 PolarHBondContact O-OG 2.93Å
294	D	93.8	Very high	92.9	Very high	66 Å²	66	38.7 Å²	38.7	35%	0.353	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-62.3	-23.8	175.9	-75.8	-12.7	0	0	0	112.1	P237 F291 A292	P237-D294 HydrophobicContact CG-CB 3.89Å; F291-D294 PolarHBondContact O-N 2.61Å; A292-D294 VanDerWaalsContact C-N 3.33Å; A292-D294 PolarHBondContact O-N 2.82Å
295	F	94.7	Very high	92.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-126.4	32.8	-177.2	-61.4	-86.1	0	0	0	111.8	R235 S236 P237 T240 Y252 A292 D293 Y297 E298 I299	R235-F295 HydrophobicContact CG-CZ 3.9Å; R235-F295 VanDerWaalsContact NH2-CD1 3.34Å; R235-F295 VanDerWaalsContact O-CE2 3.29Å; R235-F295 WeakPolarHBondContact O-CE2 3.49Å; S236-F295 VanDerWaalsContact C-CZ 3.49Å; P237-F295 HydrophobicContact CG-CZ 4.36Å; T240-F295 HydrophobicContact CG2-CE1 4.07Å; T240-F295 HydrophobicContact CG2-CZ 4.28Å; Y252-F295 HydrophobicContact CE1-CB 3.67Å; Y252-F295 HydrophobicContact CE1-CD2 4.09Å; Y252-F295 HydrophobicContact CE1-CG 4.05Å; A292-F295 CarbonylContact O-C 3.49Å; A292-F295 PolarHBondContact O-N 2.81Å; A292-F295 VanDerWaalsContact O-N 3.09Å; D293-F295 PolarHBondContact O-N 2.75Å; F295-Y297 HydrophobicContact CD1-CE1 4.2Å; F295-Y297 WeakPolarHBondContact CD1-OH 3.48Å; F295-Y297 PolarHBondContact O-N 2.95Å; F295-E298 HydrophobicContact CB-CB 4.37Å; F295-E298 HydrophobicContact CB-CG 4.33Å; F295-E298 WeakPolarHBondContact CD1-OE1 3.39Å; F295-E298 WeakPolarHBondContact O-CA 3.35Å; F295-E298 WeakPolarHBondContact O-CB 3.5Å; F295-E298 PolarHBondContact O-N 3.39Å; F295-I299 PolarHBondContact O-N 2.87Å; F295-I299 VanDerWaalsContact O-N 3.08Å
296	S	91.7	Very high	92	Very high	75 Å²	75	41.9 Å²	41.9	52%	0.524	24%	0.242	S	C	.	.	H	α-helix	trans	-54.1	-29.3	-176.8	51.6	0	0	0	0	114	A292 D293 S300	A292-S296 PolarHBondContact O-N 3.38Å; D293-S296 PolarHBondContact O-N 2.87Å; D293-S296 PolarHBondContact O-OG 2.93Å; S296-S300 WeakPolarHBondContact O-CB 3.48Å; S296-S300 PolarHBondContact O-N 3.35Å
297	Y	89.2	Confident	91.5	Very high	134 Å²	134	45.7 Å²	45.7	53%	0.525	26%	0.26	S	S	.	.	H	α-helix	trans	-65	-42.2	172.8	66	-86.9	0	0	0	112.4	F295 S300 D301	F295-Y297 HydrophobicContact CD1-CE1 4.2Å; F295-Y297 WeakPolarHBondContact CD1-OH 3.48Å; F295-Y297 PolarHBondContact O-N 2.95Å; Y297-S300 PolarHBondContact O-N 3.17Å; Y297-D301 PolarHBondContact O-N 3.11Å; Y297-D301 VanDerWaalsContact O-N 3.1Å
298	E	92.4	Very high	91	Very high	19 Å²	19	50.7 Å²	50.7	9%	0.089	28%	0.282	C	S	.	.	H	α-helix	trans	-68.1	-43.4	175.4	-56.6	-169.2	-159.3	0	0	110.7	R235 Y252 F295 S300 D301 Y302	R235-E298 IonicContact CZ-OE1 2.79Å; R235-E298 IonicContact CZ-OE2 3.69Å; R235-E298 IonicContact NH1-OE1 2.82Å; R235-E298 PolarHBondContact NH1-OE1 3.14Å; R235-E298 IonicContact NH1-OE2 3.97Å; R235-E298 IonicContact NH2-OE1 3.78Å; R235-E298 PolarHBondContact NH2-OE1 2.74Å; R235-E298 IonicContact NH2-OE2 2.8Å; R235-E298 PolarHBondContact NH2-OE2 2.83Å; Y252-E298 VanDerWaalsContact OH-CD 3.29Å; Y252-E298 PolarHBondContact OH-OE2 3Å; F295-E298 HydrophobicContact CB-CB 4.37Å; F295-E298 HydrophobicContact CB-CG 4.33Å; F295-E298 WeakPolarHBondContact CD1-OE1 3.39Å; F295-E298 WeakPolarHBondContact O-CA 3.35Å; F295-E298 WeakPolarHBondContact O-CB 3.5Å; F295-E298 PolarHBondContact O-N 3.39Å; E298-S300 PolarHBondContact O-N 3.24Å; E298-D301 WeakPolarHBondContact O-CB 3.27Å; E298-D301 PolarHBondContact O-N 3.45Å; E298-Y302 WeakPolarHBondContact O-CD2 3.48Å; E298-Y302 PolarHBondContact O-N 3.11Å
299	I	92.5	Very high	90.7	Very high	18 Å²	18	52.1 Å²	52.1	9%	0.092	29%	0.289	C	S	.	.	H	α-helix	trans	-53.3	-44.7	176.2	-62.8	-60	0	0	0	111	Y252 A292 F295 Y302 G303 I304	Y252-I299 HydrophobicContact CD1-CD1 3.7Å; Y252-I299 HydrophobicContact CD2-CD1 3.64Å; Y252-I299 HydrophobicContact CE1-CD1 4.13Å; Y252-I299 HydrophobicContact CE2-CD1 4.06Å; Y252-I299 HydrophobicContact CG-CD1 3.41Å; Y252-I299 VanDerWaalsContact CG-CD1 3.41Å; A292-I299 HydrophobicContact CB-CD1 4.03Å; A292-I299 HydrophobicContact CB-CG1 4.07Å; F295-I299 PolarHBondContact O-N 2.87Å; F295-I299 VanDerWaalsContact O-N 3.08Å; I299-Y302 PolarHBondContact O-N 2.9Å; I299-G303 PolarHBondContact O-N 3.18Å; I299-I304 HydrophobicContact CD1-CD1 4.49Å; I299-I304 HydrophobicContact CG2-CB 3.96Å; I299-I304 HydrophobicContact CG2-CG2 4.24Å; I299-I304 WeakPolarHBondContact CG2-O 3.36Å; I299-I304 PolarHBondContact O-N 3.36Å
300	S	88.4	Confident	90.6	Very high	62 Å²	62	54 Å²	54	43%	0.434	30%	0.302	S	S	.	.	H	α-helix	trans	-64.2	-41.6	176.1	-175.9	0	0	0	0	112.8	S296 Y297 E298 Y302 G303	S296-S300 WeakPolarHBondContact O-CB 3.48Å; S296-S300 PolarHBondContact O-N 3.35Å; Y297-S300 PolarHBondContact O-N 3.17Å; E298-S300 PolarHBondContact O-N 3.24Å; S300-Y302 VanDerWaalsContact C-N 3.29Å; S300-Y302 PolarHBondContact O-N 2.79Å; S300-G303 PolarHBondContact O-N 3.35Å
301	D	88.1	Confident	90.5	Very high	55 Å²	55	54.3 Å²	54.3	29%	0.294	30%	0.304	S	S	.	.	H	α-helix	trans	-62.2	-36	176.5	-84.4	11.8	0	0	0	112.7	Y297 E298 G303 K320 H346 K348	Y297-D301 PolarHBondContact O-N 3.11Å; Y297-D301 VanDerWaalsContact O-N 3.1Å; E298-D301 WeakPolarHBondContact O-CB 3.27Å; E298-D301 PolarHBondContact O-N 3.45Å; D301-G303 PolarHBondContact O-N 3.48Å; D301-K320 IonicContact OD2-NZ 3.94Å; D301-K320 PolarHBondContact OD2-NZ 3.29Å; D301-H346 PolarHBondContact O-NE2 3.09Å; D301-H346 VanDerWaalsContact O-NE2 3.17Å; D301-K348 WeakPolarHBondContact O-CB 3.44Å
302	Y	91.3	Very high	90.6	Very high	5 Å²	5	52.7 Å²	52.7	2%	0.02	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-4.3	173.8	-72.4	-76.2	0	0	0	113.5	E298 I299 S300 I304 V313 K320 K322 H346	E298-Y302 WeakPolarHBondContact O-CD2 3.48Å; E298-Y302 PolarHBondContact O-N 3.11Å; I299-Y302 PolarHBondContact O-N 2.9Å; S300-Y302 VanDerWaalsContact C-N 3.29Å; S300-Y302 PolarHBondContact O-N 2.79Å; Y302-I304 VanDerWaalsContact CB-CD1 3.48Å; Y302-I304 HydrophobicContact CG-CD1 4.19Å; Y302-I304 PolarHBondContact O-N 3.21Å; Y302-V313 HydrophobicContact CD1-CB 4.09Å; Y302-V313 HydrophobicContact CD1-CG1 3.55Å; Y302-V313 HydrophobicContact CD2-CB 4.36Å; Y302-V313 HydrophobicContact CD2-CG1 3.81Å; Y302-V313 HydrophobicContact CD2-CG2 4.39Å; Y302-V313 HydrophobicContact CE1-CB 3.6Å; Y302-V313 HydrophobicContact CE1-CG1 3.63Å; Y302-V313 HydrophobicContact CE1-CG2 4.31Å; Y302-V313 HydrophobicContact CE2-CB 3.99Å; Y302-V313 HydrophobicContact CE2-CG1 3.96Å; Y302-V313 HydrophobicContact CE2-CG2 3.82Å; Y302-V313 HydrophobicContact CG-CB 4.45Å; Y302-V313 HydrophobicContact CG-CG1 3.65Å; Y302-K320 HydrophobicContact CD1-CB 4.35Å; Y302-K320 HydrophobicContact CE1-CB 3.57Å; Y302-K320 HydrophobicContact CE1-CD 4.39Å; Y302-K320 HydrophobicContact CE1-CG 4.15Å; Y302-K322 HydrophobicContact CD1-CB 4.26Å; Y302-K322 VanDerWaalsContact O-CD 3.28Å; Y302-K322 WeakPolarHBondContact O-CD 3.33Å; Y302-K322 PolarHBondContact O-NZ 2.79Å; Y302-H346 WeakPolarHBondContact CA-NE2 3.38Å; Y302-H346 PolarHBondContact O-CE1 3.49Å; Y302-H346 PolarHBondContact O-NE2 3.15Å
303	G	88.1	Confident	90.7	Very high	39 Å²	39	52.6 Å²	52.6	40%	0.402	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	36.5	-174.2	0	0	0	0	0	112.4	I299 S300 D301	I299-G303 PolarHBondContact O-N 3.18Å; S300-G303 PolarHBondContact O-N 3.35Å; D301-G303 PolarHBondContact O-N 3.48Å
304	I	90.1	Very high	90.9	Very high	14 Å²	14	47.4 Å²	47.4	7%	0.072	27%	0.269	C	S	.	.			trans	-88.9	120.6	178.5	-64.3	162.4	0	0	0	108.2	I299 Y302 K308 L309 A311 V313 K322	I299-I304 HydrophobicContact CD1-CD1 4.49Å; I299-I304 HydrophobicContact CG2-CB 3.96Å; I299-I304 HydrophobicContact CG2-CG2 4.24Å; I299-I304 WeakPolarHBondContact CG2-O 3.36Å; I299-I304 PolarHBondContact O-N 3.36Å; Y302-I304 VanDerWaalsContact CB-CD1 3.48Å; Y302-I304 HydrophobicContact CG-CD1 4.19Å; Y302-I304 PolarHBondContact O-N 3.21Å; I304-K308 HydrophobicContact CG2-CB 4.5Å; I304-L309 HydrophobicContact CG2-CD2 4.01Å; I304-L309 HydrophobicContact CG2-CG 4.49Å; I304-A311 HydrophobicContact CD1-CB 3.65Å; I304-A311 HydrophobicContact CG1-CB 4.21Å; I304-A311 HydrophobicContact CG2-CB 3.86Å; I304-V313 HydrophobicContact CD1-CG1 3.88Å; I304-K322 HydrophobicContact CD1-CD 4.36Å; I304-K322 HydrophobicContact CG1-CD 3.87Å
305	E	85.5	Confident	91	Very high	107 Å²	107	47.8 Å²	47.8	50%	0.5	27%	0.268	S	S	.	.			trans	-84.6	153.8	173.5	-66.2	166.8	156.1	0	0	110.3	D307 K308	E305-D307 WeakPolarHBondContact CB-OD1 3.24Å; E305-D307 PolarHBondContact O-N 3.46Å; E305-K308 HydrophobicContact CB-CD 4.27Å; E305-K308 HydrophobicContact CB-CG 4.43Å; E305-K308 WeakPolarHBondContact O-CB 3.47Å; E305-K308 PolarHBondContact O-N 3.41Å; E305-K308 VanDerWaalsContact OE2-CE 3.29Å; E305-K308 WeakPolarHBondContact OE2-CE 3.36Å; E305-K308 IonicContact OE2-NZ 2.61Å; E305-K308 PolarHBondContact OE2-NZ 3Å
306	A	82.8	Confident	91	Very high	81 Å²	81	48.4 Å²	48.4	67%	0.669	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-61.4	-29.1	-173.5	0	0	0	0	0	113.8	K308	A306-K308 VanDerWaalsContact C-N 3.31Å
307	D	85.5	Confident	90.9	Very high	129 Å²	129	53.6 Å²	53.6	69%	0.69	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-79	-10.6	176.7	67.4	-36.1	0	0	0	113.6	E305	E305-D307 WeakPolarHBondContact CB-OD1 3.24Å; E305-D307 PolarHBondContact O-N 3.46Å
308	K	87.3	Confident	90.8	Very high	112 Å²	112	53.8 Å²	53.8	49%	0.487	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-92.7	9	176	-66.5	177.7	175.4	151.7	0	113.5	I304 E305 A306	I304-K308 HydrophobicContact CG2-CB 4.5Å; E305-K308 HydrophobicContact CB-CD 4.27Å; E305-K308 HydrophobicContact CB-CG 4.43Å; E305-K308 WeakPolarHBondContact O-CB 3.47Å; E305-K308 PolarHBondContact O-N 3.41Å; E305-K308 VanDerWaalsContact OE2-CE 3.29Å; E305-K308 WeakPolarHBondContact OE2-CE 3.36Å; E305-K308 IonicContact OE2-NZ 2.61Å; E305-K308 PolarHBondContact OE2-NZ 3Å; A306-K308 VanDerWaalsContact C-N 3.31Å
309	L	90.2	Very high	90.8	Very high	31 Å²	31	57.6 Å²	57.6	16%	0.162	31%	0.312	C	S	.	.			trans	-82.9	145.5	174.5	-66.1	171.3	0	0	0	111.3	N254 A292 I304 A311	N254-L309 HydrophobicContact CB-CD1 3.85Å; A292-L309 HydrophobicContact CB-CD1 3.72Å; A292-L309 HydrophobicContact CB-CD2 4.33Å; I304-L309 HydrophobicContact CG2-CD2 4.01Å; I304-L309 HydrophobicContact CG2-CG 4.49Å; L309-A311 HydrophobicContact CD2-CB 3.94Å
310	P	91.8	Very high	90.9	Very high	43 Å²	43	59.1 Å²	59.1	28%	0.279	32%	0.318	S	S	.	.	S	Bend	cis	-73.9	145.1	1.8	32	-36	0	0	0	112.5	Y252 L267 F326	Y252-P310 CarbonylContact O-C 3.2Å; Y252-P310 WeakPolarHBondContact O-CA 3.49Å; Y252-P310 WeakPolarHBondContact O-CB 3.4Å; L267-P310 HydrophobicContact CD2-CB 3.85Å; L267-P310 HydrophobicContact CD2-CG 4.2Å; P310-F326 HydrophobicContact CG-CB 4.5Å; P310-F326 HydrophobicContact CG-CD1 4.02Å; P310-F326 HydrophobicContact CG-CG 4.45Å
311	A	94.3	Very high	91.3	Very high	6 Å²	6	57.3 Å²	57.3	5%	0.05	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	150.1	178.6	0	0	0	0	0	110.8	L251 Y252 I304 L309	L251-A311 WeakPolarHBondContact CA-O 3.47Å; Y252-A311 PolarHBondContact N-O 3.38Å; Y252-A311 PolarHBondContact O-N 3.26Å; I304-A311 HydrophobicContact CD1-CB 3.65Å; I304-A311 HydrophobicContact CG1-CB 4.21Å; I304-A311 HydrophobicContact CG2-CB 3.86Å; L309-A311 HydrophobicContact CD2-CB 3.94Å
312	V	96.2	Very high	91.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132.1	175.9	-176.3	0	0	0	0	109.3	V249 V250 L251 L323 F326 F331 F334	V249-V312 HydrophobicContact CG1-CG1 3.87Å; V250-V312 WeakPolarHBondContact O-CA 3.37Å; L251-V312 HydrophobicContact CD1-CB 4.42Å; L251-V312 HydrophobicContact CD1-CG1 4.02Å; L251-V312 HydrophobicContact CD1-CG2 3.66Å; L251-V312 HydrophobicContact CG-CG2 3.81Å; V312-L323 HydrophobicContact CB-CB 3.98Å; V312-L323 HydrophobicContact CB-CD2 4.06Å; V312-L323 HydrophobicContact CG2-CD2 4.18Å; V312-L323 WeakPolarHBondContact O-CB 3.3Å; V312-L323 PolarHBondContact O-N 2.8Å; V312-F326 HydrophobicContact CG2-CD2 3.42Å; V312-F326 VanDerWaalsContact CG2-CD2 3.42Å; V312-F326 HydrophobicContact CG2-CE2 3.88Å; V312-F326 HydrophobicContact CG2-CG 4.38Å; V312-F331 HydrophobicContact CB-CD2 4.48Å; V312-F331 HydrophobicContact CG1-CD2 3.89Å; V312-F331 HydrophobicContact CG1-CE2 3.81Å; V312-F331 HydrophobicContact CG2-CD2 4.08Å; V312-F331 HydrophobicContact CG2-CE2 4.45Å; V312-F334 HydrophobicContact CG1-CD1 4.25Å; V312-F334 HydrophobicContact CG1-CE1 4.04Å
313	V	97.2	Very high	91.8	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	158.7	175.5	-58.1	0	0	0	0	110.7	V249 V250 Y252 Y302 I304 Y321 K322	V249-V313 CarbonylContact C-O 3.56Å; V249-V313 VanDerWaalsContact CA-O 3.32Å; V249-V313 WeakPolarHBondContact CA-O 3.33Å; V250-V313 HydrophobicContact CB-CG2 3.85Å; V250-V313 HydrophobicContact CG2-CG2 4.37Å; V250-V313 PolarHBondContact N-O 2.72Å; V250-V313 PolarHBondContact O-N 2.95Å; Y252-V313 HydrophobicContact CD2-CG2 4.12Å; Y252-V313 HydrophobicContact CE2-CG2 3.74Å; Y302-V313 HydrophobicContact CD1-CB 4.09Å; Y302-V313 HydrophobicContact CD1-CG1 3.55Å; Y302-V313 HydrophobicContact CD2-CB 4.36Å; Y302-V313 HydrophobicContact CD2-CG1 3.81Å; Y302-V313 HydrophobicContact CD2-CG2 4.39Å; Y302-V313 HydrophobicContact CE1-CB 3.6Å; Y302-V313 HydrophobicContact CE1-CG1 3.63Å; Y302-V313 HydrophobicContact CE1-CG2 4.31Å; Y302-V313 HydrophobicContact CE2-CB 3.99Å; Y302-V313 HydrophobicContact CE2-CG1 3.96Å; Y302-V313 HydrophobicContact CE2-CG2 3.82Å; Y302-V313 HydrophobicContact CG-CB 4.45Å; Y302-V313 HydrophobicContact CG-CG1 3.65Å; I304-V313 HydrophobicContact CD1-CG1 3.88Å; V313-Y321 CarbonylContact C-O 3.56Å; V313-Y321 WeakPolarHBondContact CA-O 3.4Å; V313-Y321 WeakPolarHBondContact CB-O 3.46Å; V313-K322 HydrophobicContact CG1-CG 4.24Å
314	I	97.8	Very high	91.8	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	124.3	166.4	-49.2	180	0	0	0	107.8	L248 V249 K320 Y321 F334 L335 F338 L343	L248-I314 CarbonylContact O-C 3.5Å; L248-I314 WeakPolarHBondContact O-CA 3.34Å; V249-I314 HydrophobicContact CG1-CG1 4.46Å; V249-I314 HydrophobicContact CG2-CD1 4.35Å; V249-I314 HydrophobicContact CG2-CG1 4.07Å; V249-I314 HydrophobicContact CG2-CG2 4.47Å; I314-K320 CarbonylContact O-C 3.56Å; I314-Y321 HydrophobicContact CB-CD2 4.15Å; I314-Y321 PolarHBondContact N-O 3.29Å; I314-Y321 PolarHBondContact O-N 3.29Å; I314-F334 HydrophobicContact CD1-CD1 4.13Å; I314-F334 HydrophobicContact CD1-CE1 3.65Å; I314-F334 HydrophobicContact CD1-CZ 4.02Å; I314-F334 HydrophobicContact CG1-CD1 4.38Å; I314-F334 HydrophobicContact CG1-CE1 3.5Å; I314-F334 HydrophobicContact CG1-CZ 3.86Å; I314-L335 HydrophobicContact CD1-CD2 4.3Å; I314-F338 HydrophobicContact CB-CD2 4.35Å; I314-F338 HydrophobicContact CB-CE2 4.37Å; I314-F338 HydrophobicContact CD1-CB 3.59Å; I314-F338 HydrophobicContact CD1-CD1 4.12Å; I314-F338 HydrophobicContact CD1-CD2 3.65Å; I314-F338 HydrophobicContact CD1-CE2 4.4Å; I314-F338 HydrophobicContact CD1-CG 3.48Å; I314-F338 VanDerWaalsContact CD1-CG 3.48Å; I314-F338 HydrophobicContact CG2-CD2 4Å; I314-F338 HydrophobicContact CG2-CE1 4.31Å; I314-F338 HydrophobicContact CG2-CE2 3.65Å; I314-F338 HydrophobicContact CG2-CG 4.45Å; I314-F338 HydrophobicContact CG2-CZ 3.83Å; I314-L343 HydrophobicContact CD1-CD1 4.47Å
315	Q	96	Very high	91.9	Very high	73 Å²	73	69.8 Å²	69.8	34%	0.341	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	115.8	167.9	-176.1	175.2	7.7	0	0	108	L248	L248-Q315 PolarHBondContact N-O 2.88Å; L248-Q315 PolarHBondContact O-N 3.03Å
316	S	95	Very high	92.1	Very high	14 Å²	14	66.9 Å²	66.9	10%	0.098	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	109.1	179.4	175.8	0	0	0	0	108.9	D247 D318 K319	D247-S316 WeakPolarHBondContact OD1-CA 3.45Å; D247-S316 WeakPolarHBondContact OD1-CB 3.48Å; D247-S316 PolarHBondContact OD1-OG 3.04Å; S316-D318 PolarHBondContact O-N 3.4Å; S316-D318 VanDerWaalsContact O-N 3.17Å; S316-K319 PolarHBondContact N-O 3.09Å; S316-K319 WeakPolarHBondContact O-CA 3.26Å; S316-K319 WeakPolarHBondContact O-CB 3.42Å; S316-K319 PolarHBondContact O-N 3.32Å
317	K	90.1	Very high	92.5	Very high	183 Å²	183	65.6 Å²	65.6	80%	0.796	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	-117.2	-174	-56.1	173.4	-177.1	171.8	0	110.9
318	D	86.2	Confident	92.6	Very high	138 Å²	138	62.6 Å²	62.6	74%	0.738	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-3.6	177.7	62.1	-41	0	0	0	113.6	S316	S316-D318 PolarHBondContact O-N 3.4Å; S316-D318 VanDerWaalsContact O-N 3.17Å
319	K	92.2	Very high	92.9	Very high	99 Å²	99	63.7 Å²	63.7	43%	0.43	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	139.6	-176.5	-61.8	179.8	-179	-176.6	0	111.5	S316 Y321 P345	S316-K319 PolarHBondContact N-O 3.09Å; S316-K319 WeakPolarHBondContact O-CA 3.26Å; S316-K319 WeakPolarHBondContact O-CB 3.42Å; S316-K319 PolarHBondContact O-N 3.32Å; K319-Y321 HydrophobicContact CB-CE2 3.7Å; K319-Y321 VanDerWaalsContact CD-OH 3.32Å; K319-Y321 WeakPolarHBondContact CD-OH 3.45Å; K319-P345 HydrophobicContact CB-CB 4.44Å; K319-P345 HydrophobicContact CB-CG 4.46Å; K319-P345 HydrophobicContact CD-CG 3.97Å; K319-P345 HydrophobicContact CG-CG 4.32Å
320	K	94.4	Very high	93.1	Very high	51 Å²	51	63.4 Å²	63.4	22%	0.222	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	139	177.2	-64.6	-179.6	-161.6	176.1	0	107.6	D301 Y302 I314 P345 H346	D301-K320 IonicContact OD2-NZ 3.94Å; D301-K320 PolarHBondContact OD2-NZ 3.29Å; Y302-K320 HydrophobicContact CD1-CB 4.35Å; Y302-K320 HydrophobicContact CE1-CB 3.57Å; Y302-K320 HydrophobicContact CE1-CD 4.39Å; Y302-K320 HydrophobicContact CE1-CG 4.15Å; I314-K320 CarbonylContact O-C 3.56Å; K320-P345 CarbonylContact O-C 3.57Å; K320-P345 VanDerWaalsContact O-CA 3.29Å; K320-P345 WeakPolarHBondContact O-CA 3.27Å; K320-H346 HydrophobicContact CB-CB 4.39Å; K320-H346 PolarHBondContact O-N 3.42Å
321	Y	97.1	Very high	93.3	Very high	24 Å²	24	61.4 Å²	61.4	9%	0.094	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	142.5	172.7	-54.8	-92.4	0	0	0	109	V313 I314 K319 F338 L343 P345	V313-Y321 CarbonylContact C-O 3.56Å; V313-Y321 WeakPolarHBondContact CA-O 3.4Å; V313-Y321 WeakPolarHBondContact CB-O 3.46Å; I314-Y321 HydrophobicContact CB-CD2 4.15Å; I314-Y321 PolarHBondContact N-O 3.29Å; I314-Y321 PolarHBondContact O-N 3.29Å; K319-Y321 HydrophobicContact CB-CE2 3.7Å; K319-Y321 VanDerWaalsContact CD-OH 3.32Å; K319-Y321 WeakPolarHBondContact CD-OH 3.45Å; Y321-F338 HydrophobicContact CD2-CD2 4.02Å; Y321-F338 AromaticContact CD2-CE2 3.8Å; Y321-F338 HydrophobicContact CD2-CE2 3.8Å; Y321-F338 HydrophobicContact CE2-CD2 4.05Å; Y321-F338 AromaticContact CE2-CE2 3.55Å; Y321-F338 HydrophobicContact CE2-CE2 3.55Å; Y321-F338 HydrophobicContact CG-CD2 4.39Å; Y321-L343 HydrophobicContact CD1-CB 3.52Å; Y321-L343 HydrophobicContact CD1-CD1 4.07Å; Y321-L343 HydrophobicContact CD1-CG 4.48Å; Y321-L343 HydrophobicContact CE1-CB 3.76Å; Y321-L343 HydrophobicContact CG-CB 4.47Å; Y321-L343 HydrophobicContact CG-CD1 4.26Å; Y321-P345 HydrophobicContact CE1-CB 4.23Å; Y321-P345 HydrophobicContact CE1-CG 3.84Å
322	K	95.7	Very high	93.2	Very high	43 Å²	43	62.7 Å²	62.7	19%	0.187	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	135.8	-177.2	-167.3	-176.6	88.7	-170.5	0	110.4	Y302 I304 V313 E324 H346	Y302-K322 HydrophobicContact CD1-CB 4.26Å; Y302-K322 VanDerWaalsContact O-CD 3.28Å; Y302-K322 WeakPolarHBondContact O-CD 3.33Å; Y302-K322 PolarHBondContact O-NZ 2.79Å; I304-K322 HydrophobicContact CD1-CD 4.36Å; I304-K322 HydrophobicContact CG1-CD 3.87Å; V313-K322 HydrophobicContact CG1-CG 4.24Å; K322-E324 VanDerWaalsContact CE-OE1 3.24Å; K322-E324 WeakPolarHBondContact CE-OE1 3.47Å; K322-E324 IonicContact NZ-OE1 2.71Å; K322-E324 IonicContact NZ-OE2 3.09Å; K322-H346 HydrophobicContact CB-CB 4.27Å
323	L	95.2	Very high	93.2	Very high	22 Å²	22	66 Å²	66	12%	0.115	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	119.8	165.9	177.8	58.6	0	0	0	109.3	V312 K325 F326 A330 F331 F334	V312-L323 HydrophobicContact CB-CB 3.98Å; V312-L323 HydrophobicContact CB-CD2 4.06Å; V312-L323 HydrophobicContact CG2-CD2 4.18Å; V312-L323 WeakPolarHBondContact O-CB 3.3Å; V312-L323 PolarHBondContact O-N 2.8Å; L323-K325 PolarHBondContact O-N 2.67Å; L323-F326 HydrophobicContact CD2-CD2 4.13Å; L323-A330 HydrophobicContact CD1-CB 4.11Å; L323-F331 HydrophobicContact CD2-CB 4.41Å; L323-F334 HydrophobicContact CB-CD1 4.06Å; L323-F334 HydrophobicContact CB-CD2 4.29Å; L323-F334 HydrophobicContact CB-CE1 4.09Å; L323-F334 HydrophobicContact CB-CE2 4.35Å; L323-F334 HydrophobicContact CB-CG 4.15Å; L323-F334 HydrophobicContact CB-CZ 4.26Å; L323-F334 HydrophobicContact CD1-CB 4.05Å; L323-F334 HydrophobicContact CD1-CD2 4.35Å; L323-F334 HydrophobicContact CD1-CG 4.2Å
324	E	87.7	Confident	93.1	Very high	141 Å²	141	66.5 Å²	66.5	66%	0.659	33%	0.33	S	S	*	.	S	Bend	trans	-61.7	-41.1	-176.7	-69.5	-55.1	135.1	0	0	113.9	K322	K322-E324 VanDerWaalsContact CE-OE1 3.24Å; K322-E324 WeakPolarHBondContact CE-OE1 3.47Å; K322-E324 IonicContact NZ-OE1 2.71Å; K322-E324 IonicContact NZ-OE2 3.09Å
325	K	90.8	Very high	93.1	Very high	168 Å²	168	66.5 Å²	66.5	73%	0.73	33%	0.33	S	S	*	.	S	Bend	trans	-143.6	122.6	178.8	-174.4	175.1	-178.7	176.4	0	110.8	L323 S327	L323-K325 PolarHBondContact O-N 2.67Å; K325-S327 PolarHBondContact O-N 2.88Å
326	F	90.8	Very high	93	Very high	46 Å²	46	65 Å²	65	20%	0.202	32%	0.324	C	S	.	.			trans	-71.7	126.4	178.9	-177.7	-103	0	0	0	112.2	L267 P310 V312 L323 F331	L267-F326 HydrophobicContact CD1-CD1 4.33Å; L267-F326 HydrophobicContact CD1-CE1 3.37Å; L267-F326 HydrophobicContact CD1-CZ 3.54Å; P310-F326 HydrophobicContact CG-CB 4.5Å; P310-F326 HydrophobicContact CG-CD1 4.02Å; P310-F326 HydrophobicContact CG-CG 4.45Å; V312-F326 HydrophobicContact CG2-CD2 3.42Å; V312-F326 VanDerWaalsContact CG2-CD2 3.42Å; V312-F326 HydrophobicContact CG2-CE2 3.88Å; V312-F326 HydrophobicContact CG2-CG 4.38Å; L323-F326 HydrophobicContact CD2-CD2 4.13Å; F326-F331 HydrophobicContact CD2-CB 4.26Å; F326-F331 HydrophobicContact CE2-CB 3.81Å; F326-F331 HydrophobicContact CE2-CD2 4.2Å; F326-F331 HydrophobicContact CE2-CG 4.04Å
327	S	91.4	Very high	93.1	Very high	55 Å²	55	68.1 Å²	68.1	39%	0.385	34%	0.336	S	S	.	.			trans	-149.7	164.6	159	68	0	0	0	0	107.4	K325 D329 A330 F331	K325-S327 PolarHBondContact O-N 2.88Å; S327-D329 VanDerWaalsContact C-N 3.31Å; S327-D329 PolarHBondContact O-N 3.23Å; S327-A330 PolarHBondContact O-N 2.9Å; S327-A330 WeakPolarHBondContact OG-CB 3Å; S327-A330 PolarHBondContact OG-N 3.16Å; S327-A330 VanDerWaalsContact OG-N 3.14Å; S327-F331 WeakPolarHBondContact O-CB 3.22Å; S327-F331 PolarHBondContact O-N 3.06Å
328	L	88.1	Confident	93.5	Very high	66 Å²	66	60.6 Å²	60.6	35%	0.346	30%	0.303	S	S	.	.	H	α-helix	trans	-61.2	-40.3	179.4	-80.3	176.5	0	0	0	112.9	R270 S332	R270-L328 HydrophobicContact CB-CD2 3.71Å; R270-L328 HydrophobicContact CG-CD1 4.05Å; R270-L328 HydrophobicContact CG-CD2 3.92Å; R270-L328 HydrophobicContact CG-CG 4.41Å; L328-S332 WeakPolarHBondContact O-CB 3.42Å; L328-S332 PolarHBondContact O-N 2.87Å; L328-S332 PolarHBondContact O-OG 3.41Å
329	D	92.5	Very high	93.9	Very high	134 Å²	134	57.2 Å²	57.2	72%	0.717	28%	0.283	S	S	*	.	H	α-helix	trans	-70.8	-45.1	179.8	-61.3	-24.6	0	0	0	110.4	S327 F331 S332 D333	S327-D329 VanDerWaalsContact C-N 3.31Å; S327-D329 PolarHBondContact O-N 3.23Å; D329-F331 VanDerWaalsContact C-N 3.32Å; D329-F331 PolarHBondContact O-N 2.87Å; D329-S332 PolarHBondContact O-N 3.48Å; D329-D333 WeakPolarHBondContact O-CB 3.38Å; D329-D333 PolarHBondContact O-N 3.25Å
330	A	95.2	Very high	94	Very high	26 Å²	26	57.4 Å²	57.4	22%	0.215	29%	0.289	C	S	.	.	H	α-helix	trans	-65.2	-35.6	177	0	0	0	0	0	112.2	L323 S327 F334	L323-A330 HydrophobicContact CD1-CB 4.11Å; S327-A330 PolarHBondContact O-N 2.9Å; S327-A330 WeakPolarHBondContact OG-CB 3Å; S327-A330 PolarHBondContact OG-N 3.16Å; S327-A330 VanDerWaalsContact OG-N 3.14Å; A330-F334 WeakPolarHBondContact O-CB 3.42Å; A330-F334 PolarHBondContact O-N 2.84Å
331	F	94.5	Very high	94	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63.1	-47.1	172.7	176.2	-110.4	0	0	0	111.5	V249 L251 V271 T274 F287 V312 L323 F326 S327 D329 F334 L335	V249-F331 HydrophobicContact CG1-CE2 4.08Å; L251-F331 HydrophobicContact CD1-CE2 3.95Å; L251-F331 HydrophobicContact CD1-CZ 4.43Å; V271-F331 HydrophobicContact CB-CE1 4.27Å; V271-F331 HydrophobicContact CB-CZ 4.38Å; V271-F331 HydrophobicContact CG1-CE1 3.89Å; V271-F331 HydrophobicContact CG1-CZ 3.72Å; V271-F331 HydrophobicContact CG2-CE1 3.97Å; V271-F331 HydrophobicContact CG2-CZ 3.96Å; T274-F331 HydrophobicContact CG2-CD1 4.49Å; T274-F331 HydrophobicContact CG2-CE1 4.35Å; F287-F331 HydrophobicContact CD1-CZ 4.35Å; F287-F331 HydrophobicContact CE1-CZ 4.06Å; V312-F331 HydrophobicContact CB-CD2 4.48Å; V312-F331 HydrophobicContact CG1-CD2 3.89Å; V312-F331 HydrophobicContact CG1-CE2 3.81Å; V312-F331 HydrophobicContact CG2-CD2 4.08Å; V312-F331 HydrophobicContact CG2-CE2 4.45Å; L323-F331 HydrophobicContact CD2-CB 4.41Å; F326-F331 HydrophobicContact CD2-CB 4.26Å; F326-F331 HydrophobicContact CE2-CB 3.81Å; F326-F331 HydrophobicContact CE2-CD2 4.2Å; F326-F331 HydrophobicContact CE2-CG 4.04Å; S327-F331 WeakPolarHBondContact O-CB 3.22Å; S327-F331 PolarHBondContact O-N 3.06Å; D329-F331 VanDerWaalsContact C-N 3.32Å; D329-F331 PolarHBondContact O-N 2.87Å; F331-F334 WeakPolarHBondContact O-CB 3.47Å; F331-F334 PolarHBondContact O-N 2.98Å; F331-L335 HydrophobicContact CD1-CD1 4.33Å; F331-L335 HydrophobicContact CE1-CD1 3.68Å; F331-L335 HydrophobicContact CE1-CG 4.4Å; F331-L335 HydrophobicContact CE2-CD1 4.2Å; F331-L335 HydrophobicContact CE2-CD2 4.16Å; F331-L335 HydrophobicContact CE2-CG 4.19Å; F331-L335 HydrophobicContact CZ-CD1 3.61Å; F331-L335 HydrophobicContact CZ-CD2 4.29Å; F331-L335 HydrophobicContact CZ-CG 4.11Å; F331-L335 WeakPolarHBondContact O-CG 3.46Å; F331-L335 PolarHBondContact O-N 2.88Å
332	S	93.3	Very high	94	Very high	33 Å²	33	62.7 Å²	62.7	23%	0.231	34%	0.336	C	S	.	.	H	α-helix	trans	-65.1	-42.9	179.7	-54.2	0	0	0	0	111.7	L328 D329 L335 N336	L328-S332 WeakPolarHBondContact O-CB 3.42Å; L328-S332 PolarHBondContact O-N 2.87Å; L328-S332 PolarHBondContact O-OG 3.41Å; D329-S332 PolarHBondContact O-N 3.48Å; S332-L335 PolarHBondContact O-N 2.83Å; S332-N336 PolarHBondContact O-N 3.45Å; S332-N336 PolarHBondContact O-ND2 3.28Å
333	D	95.3	Very high	94.1	Very high	71 Å²	71	62.3 Å²	62.3	38%	0.38	34%	0.336	S	S	.	.	H	α-helix	trans	-61.1	-42.5	173.5	179	60.4	0	0	0	112	D329 N336 K337	D329-D333 WeakPolarHBondContact O-CB 3.38Å; D329-D333 PolarHBondContact O-N 3.25Å; D333-N336 PolarHBondContact O-N 2.94Å; D333-K337 WeakPolarHBondContact O-CB 3.18Å; D333-K337 WeakPolarHBondContact O-CG 3.4Å; D333-K337 PolarHBondContact O-N 2.62Å; D333-K337 VanDerWaalsContact OD1-CE 3.3Å; D333-K337 WeakPolarHBondContact OD1-CE 3.19Å; D333-K337 IonicContact OD1-NZ 2.71Å; D333-K337 WeakPolarHBondContact OD2-CE 3.48Å; D333-K337 IonicContact OD2-NZ 2.7Å; D333-K337 PolarHBondContact OD2-NZ 3.38Å
334	F	96.7	Very high	93.9	Very high	9 Å²	9	67.2 Å²	67.2	4%	0.039	37%	0.366	C	S	.	.	H	α-helix	trans	-61.1	-45.6	177.4	-178.8	-117.6	0	0	0	112.6	V312 I314 L323 A330 F331 K337 F338 L343	V312-F334 HydrophobicContact CG1-CD1 4.25Å; V312-F334 HydrophobicContact CG1-CE1 4.04Å; I314-F334 HydrophobicContact CD1-CD1 4.13Å; I314-F334 HydrophobicContact CD1-CE1 3.65Å; I314-F334 HydrophobicContact CD1-CZ 4.02Å; I314-F334 HydrophobicContact CG1-CD1 4.38Å; I314-F334 HydrophobicContact CG1-CE1 3.5Å; I314-F334 HydrophobicContact CG1-CZ 3.86Å; L323-F334 HydrophobicContact CB-CD1 4.06Å; L323-F334 HydrophobicContact CB-CD2 4.29Å; L323-F334 HydrophobicContact CB-CE1 4.09Å; L323-F334 HydrophobicContact CB-CE2 4.35Å; L323-F334 HydrophobicContact CB-CG 4.15Å; L323-F334 HydrophobicContact CB-CZ 4.26Å; L323-F334 HydrophobicContact CD1-CB 4.05Å; L323-F334 HydrophobicContact CD1-CD2 4.35Å; L323-F334 HydrophobicContact CD1-CG 4.2Å; A330-F334 WeakPolarHBondContact O-CB 3.42Å; A330-F334 PolarHBondContact O-N 2.84Å; F331-F334 WeakPolarHBondContact O-CB 3.47Å; F331-F334 PolarHBondContact O-N 2.98Å; F334-K337 PolarHBondContact O-N 2.95Å; F334-F338 PolarHBondContact O-N 2.83Å; F334-L343 HydrophobicContact CD2-CD1 3.62Å; F334-L343 HydrophobicContact CD2-CD2 3.83Å; F334-L343 HydrophobicContact CD2-CG 4.4Å; F334-L343 HydrophobicContact CE2-CD1 3.39Å; F334-L343 HydrophobicContact CE2-CD2 4.08Å; F334-L343 HydrophobicContact CE2-CG 4.4Å; F334-L343 HydrophobicContact CG-CD1 4.42Å; F334-L343 HydrophobicContact CZ-CD1 4.06Å
335	L	96.2	Very high	94.2	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-63.6	-41.7	174.7	-63.1	-176.5	0	0	0	112.1	V249 F282 L285 F287 I314 F331 S332 F338 E339	V249-L335 HydrophobicContact CG1-CD2 4.14Å; V249-L335 HydrophobicContact CG2-CD2 3.94Å; F282-L335 HydrophobicContact CD1-CB 3.96Å; F282-L335 HydrophobicContact CD1-CD1 4.31Å; F282-L335 HydrophobicContact CD2-CD1 4.17Å; F282-L335 HydrophobicContact CE1-CB 3.44Å; F282-L335 VanDerWaalsContact CE1-CB 3.44Å; F282-L335 HydrophobicContact CE1-CD1 4.25Å; F282-L335 HydrophobicContact CE2-CD1 4.1Å; F282-L335 HydrophobicContact CG-CD1 4.27Å; F282-L335 HydrophobicContact CZ-CB 3.76Å; F282-L335 HydrophobicContact CZ-CD1 4.13Å; L285-L335 HydrophobicContact CD1-CD2 4.05Å; F287-L335 HydrophobicContact CE1-CD1 3.85Å; F287-L335 HydrophobicContact CE1-CD2 3.96Å; F287-L335 HydrophobicContact CZ-CD1 4.08Å; F287-L335 HydrophobicContact CZ-CD2 4.38Å; I314-L335 HydrophobicContact CD1-CD2 4.3Å; F331-L335 HydrophobicContact CD1-CD1 4.33Å; F331-L335 HydrophobicContact CE1-CD1 3.68Å; F331-L335 HydrophobicContact CE1-CG 4.4Å; F331-L335 HydrophobicContact CE2-CD1 4.2Å; F331-L335 HydrophobicContact CE2-CD2 4.16Å; F331-L335 HydrophobicContact CE2-CG 4.19Å; F331-L335 HydrophobicContact CZ-CD1 3.61Å; F331-L335 HydrophobicContact CZ-CD2 4.29Å; F331-L335 HydrophobicContact CZ-CG 4.11Å; F331-L335 WeakPolarHBondContact O-CG 3.46Å; F331-L335 PolarHBondContact O-N 2.88Å; S332-L335 PolarHBondContact O-N 2.83Å; L335-F338 PolarHBondContact O-N 3.38Å; L335-E339 PolarHBondContact O-N 3.42Å; L335-E339 VanDerWaalsContact O-N 3.08Å
336	N	95.4	Very high	94.3	Very high	43 Å²	43	56.5 Å²	56.5	23%	0.23	32%	0.323	C	S	.	.	H	α-helix	trans	-61	-48.6	177.3	-69.3	-34.3	0	0	0	111.3	K281 F282 S332 D333 F338 E339 D340	K281-N336 WeakPolarHBondContact CD-OD1 3.11Å; K281-N336 WeakPolarHBondContact CE-OD1 3.31Å; K281-N336 PolarHBondContact NZ-OD1 2.95Å; F282-N336 WeakPolarHBondContact CZ-OD1 3.47Å; S332-N336 PolarHBondContact O-N 3.45Å; S332-N336 PolarHBondContact O-ND2 3.28Å; D333-N336 PolarHBondContact O-N 2.94Å; N336-F338 VanDerWaalsContact C-N 3.27Å; N336-F338 PolarHBondContact O-N 3.31Å; N336-E339 PolarHBondContact O-N 3.19Å; N336-D340 WeakPolarHBondContact O-CB 3.21Å; N336-D340 PolarHBondContact O-N 2.87Å
337	K	97.1	Very high	94.3	Very high	79 Å²	79	57.5 Å²	57.5	34%	0.343	33%	0.333	S	S	.	.	H	α-helix	trans	-63.1	-32.8	177.8	-74.1	172.9	175.6	165.2	0	112.7	D333 F334 G341 L342 L343	D333-K337 WeakPolarHBondContact O-CB 3.18Å; D333-K337 WeakPolarHBondContact O-CG 3.4Å; D333-K337 PolarHBondContact O-N 2.62Å; D333-K337 VanDerWaalsContact OD1-CE 3.3Å; D333-K337 WeakPolarHBondContact OD1-CE 3.19Å; D333-K337 IonicContact OD1-NZ 2.71Å; D333-K337 WeakPolarHBondContact OD2-CE 3.48Å; D333-K337 IonicContact OD2-NZ 2.7Å; D333-K337 PolarHBondContact OD2-NZ 3.38Å; F334-K337 PolarHBondContact O-N 2.95Å; K337-G341 PolarHBondContact O-N 3.48Å; K337-L342 HydrophobicContact CB-CB 4.17Å; K337-L342 HydrophobicContact CG-CB 4.32Å; K337-L342 PolarHBondContact O-N 2.7Å; K337-L343 HydrophobicContact CB-CD2 3.56Å; K337-L343 HydrophobicContact CB-CG 3.79Å; K337-L343 HydrophobicContact CD-CD2 4.15Å; K337-L343 PolarHBondContact O-N 3.32Å
338	F	96.8	Very high	94.3	Very high	25 Å²	25	56.5 Å²	56.5	11%	0.11	32%	0.322	C	S	.	.	H	α-helix	trans	-64.5	-52.4	174.5	179.9	-96.8	0	0	0	111.1	D247 L285 I314 Y321 F334 L335 N336 D340 G341 L343	D247-F338 HydrophobicContact CB-CE1 4.25Å; D247-F338 HydrophobicContact CB-CZ 4.22Å; L285-F338 HydrophobicContact CD1-CD1 4.47Å; L285-F338 HydrophobicContact CD2-CD1 3.78Å; L285-F338 HydrophobicContact CD2-CE1 3.48Å; L285-F338 VanDerWaalsContact CD2-CE1 3.48Å; I314-F338 HydrophobicContact CB-CD2 4.35Å; I314-F338 HydrophobicContact CB-CE2 4.37Å; I314-F338 HydrophobicContact CD1-CB 3.59Å; I314-F338 HydrophobicContact CD1-CD1 4.12Å; I314-F338 HydrophobicContact CD1-CD2 3.65Å; I314-F338 HydrophobicContact CD1-CE2 4.4Å; I314-F338 HydrophobicContact CD1-CG 3.48Å; I314-F338 VanDerWaalsContact CD1-CG 3.48Å; I314-F338 HydrophobicContact CG2-CD2 4Å; I314-F338 HydrophobicContact CG2-CE1 4.31Å; I314-F338 HydrophobicContact CG2-CE2 3.65Å; I314-F338 HydrophobicContact CG2-CG 4.45Å; I314-F338 HydrophobicContact CG2-CZ 3.83Å; Y321-F338 HydrophobicContact CD2-CD2 4.02Å; Y321-F338 AromaticContact CD2-CE2 3.8Å; Y321-F338 HydrophobicContact CD2-CE2 3.8Å; Y321-F338 HydrophobicContact CE2-CD2 4.05Å; Y321-F338 AromaticContact CE2-CE2 3.55Å; Y321-F338 HydrophobicContact CE2-CE2 3.55Å; Y321-F338 HydrophobicContact CG-CD2 4.39Å; F334-F338 PolarHBondContact O-N 2.83Å; L335-F338 PolarHBondContact O-N 3.38Å; N336-F338 VanDerWaalsContact C-N 3.27Å; N336-F338 PolarHBondContact O-N 3.31Å; F338-D340 VanDerWaalsContact C-N 3.26Å; F338-D340 PolarHBondContact O-N 3.09Å; F338-G341 PolarHBondContact O-N 3.4Å; F338-L343 HydrophobicContact CB-CD1 3.66Å; F338-L343 HydrophobicContact CB-CG 4.39Å; F338-L343 HydrophobicContact CD2-CD1 4.16Å; F338-L343 HydrophobicContact CG-CD1 4.41Å
339	E	94.8	Very high	94.6	Very high	66 Å²	66	54.9 Å²	54.9	31%	0.308	32%	0.316	S	S	.	.	H	α-helix	trans	-59.7	-37.1	178.1	-71.5	-74.4	169.2	0	0	112	F282 L285 L335 N336 G341	F282-E339 HydrophobicContact CD1-CG 4.03Å; F282-E339 HydrophobicContact CE1-CG 4.27Å; L285-E339 WeakPolarHBondContact CG-OE1 3.36Å; L335-E339 PolarHBondContact O-N 3.42Å; L335-E339 VanDerWaalsContact O-N 3.08Å; N336-E339 PolarHBondContact O-N 3.19Å; E339-G341 PolarHBondContact O-N 2.87Å
340	D	94.9	Very high	94.6	Very high	104 Å²	104	50.7 Å²	50.7	56%	0.556	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-2.1	177.9	-62.7	-24.9	0	0	0	113.1	N336 F338 L342	N336-D340 WeakPolarHBondContact O-CB 3.21Å; N336-D340 PolarHBondContact O-N 2.87Å; F338-D340 VanDerWaalsContact C-N 3.26Å; F338-D340 PolarHBondContact O-N 3.09Å; D340-L342 VanDerWaalsContact C-N 3.29Å; D340-L342 HydrophobicContact CB-CD1 3.86Å; D340-L342 HydrophobicContact CB-CG 3.87Å; D340-L342 PolarHBondContact O-N 3.5Å
341	G	95.5	Very high	94.5	Very high	64 Å²	64	54.6 Å²	54.6	66%	0.66	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	20.6	-179.7	0	0	0	0	0	114.8	K337 F338 E339	K337-G341 PolarHBondContact O-N 3.48Å; F338-G341 PolarHBondContact O-N 3.4Å; E339-G341 PolarHBondContact O-N 2.87Å
342	L	96.8	Very high	94.5	Very high	122 Å²	122	59.4 Å²	59.4	64%	0.639	34%	0.34	S	S	*	.			trans	-94.4	-6.5	-173.6	-61.4	177.3	0	0	0	114	K337 D340	K337-L342 HydrophobicContact CB-CB 4.17Å; K337-L342 HydrophobicContact CG-CB 4.32Å; K337-L342 PolarHBondContact O-N 2.7Å; D340-L342 VanDerWaalsContact C-N 3.29Å; D340-L342 HydrophobicContact CB-CD1 3.86Å; D340-L342 HydrophobicContact CB-CG 3.87Å; D340-L342 PolarHBondContact O-N 3.5Å
343	L	96.4	Very high	94.6	Very high	35 Å²	35	60 Å²	60	18%	0.183	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-80	138.2	176	-66.3	-177.8	0	0	0	111.9	I314 Y321 F334 K337 F338	I314-L343 HydrophobicContact CD1-CD1 4.47Å; Y321-L343 HydrophobicContact CD1-CB 3.52Å; Y321-L343 HydrophobicContact CD1-CD1 4.07Å; Y321-L343 HydrophobicContact CD1-CG 4.48Å; Y321-L343 HydrophobicContact CE1-CB 3.76Å; Y321-L343 HydrophobicContact CG-CB 4.47Å; Y321-L343 HydrophobicContact CG-CD1 4.26Å; F334-L343 HydrophobicContact CD2-CD1 3.62Å; F334-L343 HydrophobicContact CD2-CD2 3.83Å; F334-L343 HydrophobicContact CD2-CG 4.4Å; F334-L343 HydrophobicContact CE2-CD1 3.39Å; F334-L343 HydrophobicContact CE2-CD2 4.08Å; F334-L343 HydrophobicContact CE2-CG 4.4Å; F334-L343 HydrophobicContact CG-CD1 4.42Å; F334-L343 HydrophobicContact CZ-CD1 4.06Å; K337-L343 HydrophobicContact CB-CD2 3.56Å; K337-L343 HydrophobicContact CB-CG 3.79Å; K337-L343 HydrophobicContact CD-CD2 4.15Å; K337-L343 PolarHBondContact O-N 3.32Å; F338-L343 HydrophobicContact CB-CD1 3.66Å; F338-L343 HydrophobicContact CB-CG 4.39Å; F338-L343 HydrophobicContact CD2-CD1 4.16Å; F338-L343 HydrophobicContact CG-CD1 4.41Å
344	T	92.6	Very high	94.4	Very high	124 Å²	124	63.8 Å²	63.8	76%	0.761	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-82.3	131.6	166	-50	0	0	0	0	109.3	H346	T344-H346 PolarHBondContact O-N 2.86Å
345	P	93.4	Very high	93.9	Very high	49 Å²	49	68.5 Å²	68.5	32%	0.318	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-57.1	135.6	173	-25.6	35.5	0	0	0	111.7	K319 K320 Y321	K319-P345 HydrophobicContact CB-CB 4.44Å; K319-P345 HydrophobicContact CB-CG 4.46Å; K319-P345 HydrophobicContact CD-CG 3.97Å; K319-P345 HydrophobicContact CG-CG 4.32Å; K320-P345 CarbonylContact O-C 3.57Å; K320-P345 VanDerWaalsContact O-CA 3.29Å; K320-P345 WeakPolarHBondContact O-CA 3.27Å; Y321-P345 HydrophobicContact CE1-CB 4.23Å; Y321-P345 HydrophobicContact CE1-CG 3.84Å
346	H	92.8	Very high	93.4	Very high	36 Å²	36	73.7 Å²	73.7	17%	0.167	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-64.7	133.6	168.3	173.6	82.7	0	0	0	109.6	D301 Y302 K320 K322 T344	D301-H346 PolarHBondContact O-NE2 3.09Å; D301-H346 VanDerWaalsContact O-NE2 3.17Å; Y302-H346 WeakPolarHBondContact CA-NE2 3.38Å; Y302-H346 PolarHBondContact O-CE1 3.49Å; Y302-H346 PolarHBondContact O-NE2 3.15Å; K320-H346 HydrophobicContact CB-CB 4.39Å; K320-H346 PolarHBondContact O-N 3.42Å; K322-H346 HydrophobicContact CB-CB 4.27Å; T344-H346 PolarHBondContact O-N 2.86Å
347	V	91	Very high	93.1	Very high	67 Å²	67	76 Å²	76	41%	0.406	44%	0.442	S	S	.	.			trans	-121.9	124.2	173.3	-178.6	0	0	0	0	106.8	S349 A365 D422	V347-S349 PolarHBondContact O-N 3.33Å; V347-S349 VanDerWaalsContact O-N 3.16Å; V347-A365 HydrophobicContact CG1-CB 3.42Å; V347-A365 VanDerWaalsContact CG1-CB 3.42Å; V347-D422 HydrophobicContact CG1-CB 3.92Å
348	K	91.4	Very high	92.9	Very high	34 Å²	34	74.3 Å²	74.3	15%	0.148	44%	0.44	C	S	.	.			trans	-63.2	118.6	173.5	-169.5	-169	-174.7	179.1	0	108.2	D301 A365 T419 N421 D422	D301-K348 WeakPolarHBondContact O-CB 3.44Å; K348-A365 VanDerWaalsContact O-CB 3.28Å; K348-A365 WeakPolarHBondContact O-CB 3.25Å; K348-T419 PolarHBondContact NZ-O 2.87Å; K348-N421 CarbonylContact O-C 3.56Å; K348-N421 WeakPolarHBondContact O-CA 3.17Å; K348-D422 HydrophobicContact CB-CB 4.29Å; K348-D422 VanDerWaalsContact CB-CG 3.47Å; K348-D422 WeakPolarHBondContact CB-OD1 3.4Å; K348-D422 WeakPolarHBondContact CB-OD2 3.43Å; K348-D422 PolarHBondContact N-OD2 3.08Å; K348-D422 PolarHBondContact O-N 3.36Å
349	S	93.3	Very high	92.9	Very high	31 Å²	31	74.3 Å²	74.3	22%	0.217	44%	0.444	C	S	.	.			trans	-147.4	143.3	179.2	-167	0	0	0	0	110.2	V347 V364 A365 L366 N421	V347-S349 PolarHBondContact O-N 3.33Å; V347-S349 VanDerWaalsContact O-N 3.16Å; S349-V364 WeakPolarHBondContact OG-CB 3.26Å; S349-A365 PolarHBondContact OG-N 3.11Å; S349-A365 VanDerWaalsContact OG-N 3.08Å; S349-L366 WeakPolarHBondContact OG-CG 3.49Å; S349-L366 PolarHBondContact OG-N 3.2Å; S349-N421 WeakPolarHBondContact CA-OD1 3.49Å; S349-N421 PolarHBondContact OG-OD1 3.32Å
350	E	93	Very high	93.1	Very high	46 Å²	46	71.5 Å²	71.5	22%	0.215	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-61.8	158.5	154.4	-69.8	175.7	86.7	0	0	110	K362 V364 A420 N421	E350-K362 IonicContact OE1-NZ 3.98Å; E350-K362 PolarHBondContact OE1-NZ 2.82Å; E350-K362 IonicContact OE2-NZ 3.8Å; E350-V364 HydrophobicContact CB-CB 4.26Å; E350-V364 HydrophobicContact CB-CG1 3.67Å; E350-A420 HydrophobicContact CG-CB 3.81Å; E350-N421 PolarHBondContact N-OD1 2.62Å; E350-N421 PolarHBondContact OE2-ND2 2.89Å
351	P	92.6	Very high	93.2	Very high	108 Å²	108	69.8 Å²	69.8	70%	0.701	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-56.4	151.9	169.2	-22.6	33.6	0	0	0	111.7
352	L	95.2	Very high	93.3	Very high	101 Å²	101	71.1 Å²	71.1	53%	0.529	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-54.1	134.3	173.2	-70.3	172.7	0	0	0	110.4	T354 V364 L366 N367	L352-T354 PolarHBondContact O-N 3.48Å; L352-V364 HydrophobicContact CD2-CG2 3.98Å; L352-L366 HydrophobicContact CD2-CB 3.84Å; L352-L366 HydrophobicContact CG-CB 4.38Å; L352-N367 HydrophobicContact CD2-CB 3.7Å
353	P	94.7	Very high	93.3	Very high	45 Å²	45	65.3 Å²	65.3	29%	0.292	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-62.4	134.6	179.3	26	-33.8	0	0	0	110.8	K362	P353-K362 HydrophobicContact CB-CB 4.18Å; P353-K362 HydrophobicContact CB-CD 4.26Å; P353-K362 HydrophobicContact CB-CG 4.4Å; P353-K362 HydrophobicContact CG-CB 4.33Å
354	T	92.3	Very high	93.4	Very high	151 Å²	151	63.7 Å²	63.7	93%	0.926	37%	0.368	S	S	*	.			trans	-99.9	-12.6	174.5	57.5	0	0	0	0	113	L352	L352-T354 PolarHBondContact O-N 3.48Å
355	D	86.7	Confident	93.5	Very high	108 Å²	108	58.6 Å²	58.6	58%	0.578	34%	0.339	S	S	*	.			trans	-103.5	135.2	178.1	-176.5	17.2	0	0	0	110.1	S357	D355-S357 VanDerWaalsContact CG-OG 3.27Å; D355-S357 WeakPolarHBondContact OD1-CB 3.21Å; D355-S357 PolarHBondContact OD1-N 2.97Å; D355-S357 PolarHBondContact OD1-OG 3.44Å; D355-S357 VanDerWaalsContact OD1-OG 3.05Å; D355-S357 PolarHBondContact OD2-OG 2.62Å
356	D	83.7	Confident	93.5	Very high	110 Å²	110	61.6 Å²	61.6	59%	0.588	35%	0.351	S	S	*	.			trans	-125.7	24.3	178.3	-148.2	21.3	0	0	0	111.5	K361	D356-K361 IonicContact OD1-NZ 3.01Å; D356-K361 PolarHBondContact OD1-NZ 3.17Å; D356-K361 IonicContact OD2-NZ 3.72Å; D356-K361 PolarHBondContact OD2-NZ 3.08Å
357	S	89.7	Confident	93.6	Very high	90 Å²	90	60.3 Å²	60.3	63%	0.629	35%	0.346	S	S	*	.			trans	-70.7	-30.1	-179	65.2	0	0	0	0	113.8	D355	D355-S357 VanDerWaalsContact CG-OG 3.27Å; D355-S357 WeakPolarHBondContact OD1-CB 3.21Å; D355-S357 PolarHBondContact OD1-N 2.97Å; D355-S357 PolarHBondContact OD1-OG 3.44Å; D355-S357 VanDerWaalsContact OD1-OG 3.05Å; D355-S357 PolarHBondContact OD2-OG 2.62Å
358	S	94	Very high	93.9	Very high	45 Å²	45	57.3 Å²	57.3	32%	0.315	33%	0.328	S	S	.	.	S	Bend	trans	-75.4	144.7	178.6	171.9	0	0	0	0	111.7	V360 E399	S358-V360 PolarHBondContact OG-N 3.13Å; S358-V360 PolarHBondContact OG-O 3.02Å; S358-V360 VanDerWaalsContact OG-O 3.09Å; S358-E399 WeakPolarHBondContact CA-OE1 3.23Å; S358-E399 VanDerWaalsContact OG-CD 3.25Å; S358-E399 PolarHBondContact OG-OE1 3.02Å; S358-E399 PolarHBondContact OG-OE2 3.5Å
359	A	96.4	Very high	94.1	Very high	24 Å²	24	61 Å²	61	20%	0.198	35%	0.349	C	S	.	.	S	Bend	trans	-72.5	-21.8	170.1	0	0	0	0	0	112.1	E399 A402 S403	A359-E399 PolarHBondContact N-OE1 2.69Å; A359-A402 HydrophobicContact CB-CB 3.79Å; A359-S403 WeakPolarHBondContact CB-OG 3.47Å
360	V	97.9	Very high	94.3	Very high	8 Å²	8	66.8 Å²	66.8	5%	0.048	37%	0.373	C	S	.	.	S	Bend	trans	-88.2	119.6	173.2	177.6	0	0	0	0	109	S358 K362 Y398 E399 A402 L413 A415	S358-V360 PolarHBondContact OG-N 3.13Å; S358-V360 PolarHBondContact OG-O 3.02Å; S358-V360 VanDerWaalsContact OG-O 3.09Å; V360-K362 PolarHBondContact O-N 2.83Å; V360-Y398 HydrophobicContact CG1-CD1 4.04Å; V360-Y398 HydrophobicContact CG1-CE1 3.91Å; V360-Y398 HydrophobicContact CG2-CD1 3.64Å; V360-Y398 HydrophobicContact CG2-CE1 4.02Å; V360-E399 WeakPolarHBondContact CB-OE2 3.19Å; V360-E399 VanDerWaalsContact CG2-OE2 3.23Å; V360-E399 WeakPolarHBondContact CG2-OE2 3.32Å; V360-A402 HydrophobicContact CG2-CB 3.58Å; V360-L413 WeakPolarHBondContact CA-O 3.3Å; V360-A415 HydrophobicContact CG1-CB 3.59Å
361	K	97.4	Very high	94.4	Very high	67 Å²	67	65.8 Å²	65.8	29%	0.291	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	121.1	179.1	-161.5	69.2	177.8	179.2	0	110.2	D356 L363 I371 V412 L413 A414 A415	D356-K361 IonicContact OD1-NZ 3.01Å; D356-K361 PolarHBondContact OD1-NZ 3.17Å; D356-K361 IonicContact OD2-NZ 3.72Å; D356-K361 PolarHBondContact OD2-NZ 3.08Å; K361-L363 PolarHBondContact O-N 3.46Å; K361-I371 HydrophobicContact CG-CD1 3.87Å; K361-I371 HydrophobicContact CG-CG2 4.39Å; K361-V412 HydrophobicContact CB-CG1 4.21Å; K361-L413 PolarHBondContact N-O 2.78Å; K361-A414 HydrophobicContact CB-CB 4.14Å; K361-A414 CarbonylContact O-C 3.49Å; K361-A414 WeakPolarHBondContact O-CA 3.27Å; K361-A414 WeakPolarHBondContact O-CB 2.86Å; K361-A415 PolarHBondContact O-N 2.86Å
362	K	97.6	Very high	94.7	Very high	93 Å²	93	60.6 Å²	60.6	40%	0.404	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	121.3	173.2	-176.9	172	177.8	-178.1	0	109.9	E350 P353 V360 N367	E350-K362 IonicContact OE1-NZ 3.98Å; E350-K362 PolarHBondContact OE1-NZ 2.82Å; E350-K362 IonicContact OE2-NZ 3.8Å; P353-K362 HydrophobicContact CB-CB 4.18Å; P353-K362 HydrophobicContact CB-CD 4.26Å; P353-K362 HydrophobicContact CB-CG 4.4Å; P353-K362 HydrophobicContact CG-CB 4.33Å; V360-K362 PolarHBondContact O-N 2.83Å; K362-N367 PolarHBondContact O-ND2 3.23Å
363	L	98	Very high	94.7	Very high	0 Å²	0	58 Å²	58	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	140.2	171.6	-60.7	177	0	0	0	110.1	K361 N367 F368 I371 V372 V381 A414 A415 M416	K361-L363 PolarHBondContact O-N 3.46Å; L363-N367 WeakPolarHBondContact CA-OD1 3.18Å; L363-F368 HydrophobicContact CB-CD2 4.47Å; L363-F368 HydrophobicContact CD1-CD2 3.97Å; L363-F368 HydrophobicContact CD1-CE2 3.99Å; L363-I371 HydrophobicContact CD2-CB 3.72Å; L363-I371 HydrophobicContact CD2-CD1 3.62Å; L363-I371 HydrophobicContact CD2-CG1 4.26Å; L363-I371 HydrophobicContact CD2-CG2 3.69Å; L363-V372 HydrophobicContact CD1-CG2 3.51Å; L363-V372 HydrophobicContact CD2-CG2 4.11Å; L363-V372 HydrophobicContact CG-CG2 4.48Å; L363-V381 HydrophobicContact CD1-CB 4.38Å; L363-V381 HydrophobicContact CD1-CG2 3.55Å; L363-A414 HydrophobicContact CD1-CB 3.66Å; L363-A414 HydrophobicContact CD2-CB 4.14Å; L363-A414 HydrophobicContact CG-CB 3.77Å; L363-A415 WeakPolarHBondContact CB-O 3.12Å; L363-A415 PolarHBondContact N-O 3.47Å; L363-M416 HydrophobicContact CB-CB 3.89Å; L363-M416 HydrophobicContact CB-CG 4.22Å
364	V	97.1	Very high	94.8	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.322	C	S	.	.			trans	-129.2	165.8	165.4	-57.5	0	0	0	0	106.8	S349 E350 L352 L366 N367 F368 N421	S349-V364 WeakPolarHBondContact OG-CB 3.26Å; E350-V364 HydrophobicContact CB-CB 4.26Å; E350-V364 HydrophobicContact CB-CG1 3.67Å; L352-V364 HydrophobicContact CD2-CG2 3.98Å; V364-L366 HydrophobicContact CG2-CB 4.21Å; V364-L366 PolarHBondContact O-N 2.65Å; V364-L366 VanDerWaalsContact O-N 3.14Å; V364-N367 PolarHBondContact N-OD1 3.39Å; V364-N367 PolarHBondContact O-N 2.88Å; V364-N367 PolarHBondContact O-OD1 3.06Å; V364-F368 PolarHBondContact O-N 2.9Å; V364-F368 VanDerWaalsContact O-N 3.14Å; V364-N421 WeakPolarHBondContact CA-OD1 3.45Å; V364-N421 WeakPolarHBondContact CB-OD1 3.25Å
365	A	95.3	Very high	95	Very high	17 Å²	17	56.7 Å²	56.7	14%	0.14	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-30	-175	0	0	0	0	0	112.8	V347 K348 S349 N367 M416 N421 D422	V347-A365 HydrophobicContact CG1-CB 3.42Å; V347-A365 VanDerWaalsContact CG1-CB 3.42Å; K348-A365 VanDerWaalsContact O-CB 3.28Å; K348-A365 WeakPolarHBondContact O-CB 3.25Å; S349-A365 PolarHBondContact OG-N 3.11Å; S349-A365 VanDerWaalsContact OG-N 3.08Å; A365-N367 PolarHBondContact O-N 2.82Å; A365-M416 HydrophobicContact CB-CE 4.08Å; A365-N421 HydrophobicContact CB-CB 4.2Å; A365-N421 PolarHBondContact N-OD1 3.01Å; A365-D422 WeakPolarHBondContact CB-O 3.42Å
366	L	93.2	Very high	95.5	Very high	112 Å²	112	57.7 Å²	57.7	59%	0.586	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-27.6	179.3	-66.6	170.5	0	0	0	115.3	S349 L352 V364	S349-L366 WeakPolarHBondContact OG-CG 3.49Å; S349-L366 PolarHBondContact OG-N 3.2Å; L352-L366 HydrophobicContact CD2-CB 3.84Å; L352-L366 HydrophobicContact CG-CB 4.38Å; V364-L366 HydrophobicContact CG2-CB 4.21Å; V364-L366 PolarHBondContact O-N 2.65Å; V364-L366 VanDerWaalsContact O-N 3.14Å
367	N	96	Very high	96.2	Very high	10 Å²	10	54.5 Å²	54.5	5%	0.053	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	1.9	179.4	71.4	-4.8	0	0	0	113.5	L352 K362 L363 V364 A365 D369 E370 I371	L352-N367 HydrophobicContact CD2-CB 3.7Å; K362-N367 PolarHBondContact O-ND2 3.23Å; L363-N367 WeakPolarHBondContact CA-OD1 3.18Å; V364-N367 PolarHBondContact N-OD1 3.39Å; V364-N367 PolarHBondContact O-N 2.88Å; V364-N367 PolarHBondContact O-OD1 3.06Å; A365-N367 PolarHBondContact O-N 2.82Å; N367-D369 PolarHBondContact O-N 2.88Å; N367-E370 PolarHBondContact O-N 3.46Å; N367-I371 HydrophobicContact CB-CD1 4.04Å; N367-I371 VanDerWaalsContact ND2-CD1 3.35Å; N367-I371 WeakPolarHBondContact ND2-CD1 3.27Å; N367-I371 WeakPolarHBondContact O-CG1 3.36Å; N367-I371 PolarHBondContact O-N 2.94Å; N367-I371 VanDerWaalsContact O-N 3.17Å
368	F	97.2	Very high	96.6	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.018	26%	0.256	C	S	.	.	H	α-helix	trans	-58.9	-48.1	-174.8	-170.3	-76.8	0	0	0	111.5	L363 V364 I371 V372 V381 F383 M416 P424 Y427	L363-F368 HydrophobicContact CB-CD2 4.47Å; L363-F368 HydrophobicContact CD1-CD2 3.97Å; L363-F368 HydrophobicContact CD1-CE2 3.99Å; V364-F368 PolarHBondContact O-N 2.9Å; V364-F368 VanDerWaalsContact O-N 3.14Å; F368-I371 PolarHBondContact O-N 2.69Å; F368-V372 HydrophobicContact CD1-CB 3.93Å; F368-V372 HydrophobicContact CD1-CG2 3.97Å; F368-V372 HydrophobicContact CD2-CG2 4.1Å; F368-V372 HydrophobicContact CE1-CB 3.6Å; F368-V372 HydrophobicContact CE1-CG1 3.74Å; F368-V372 HydrophobicContact CE1-CG2 3.75Å; F368-V372 HydrophobicContact CE2-CG2 3.9Å; F368-V372 HydrophobicContact CG-CG2 4.15Å; F368-V372 HydrophobicContact CZ-CB 4Å; F368-V372 HydrophobicContact CZ-CG1 3.92Å; F368-V372 HydrophobicContact CZ-CG2 3.72Å; F368-V372 VanDerWaalsContact O-CB 3.28Å; F368-V372 WeakPolarHBondContact O-CB 3.42Å; F368-V372 WeakPolarHBondContact O-CG2 3.34Å; F368-V372 PolarHBondContact O-N 3.37Å; F368-V381 HydrophobicContact CE2-CG2 4.27Å; F368-F383 AromaticContact CE2-CE1 3.67Å; F368-F383 HydrophobicContact CE2-CE1 3.67Å; F368-F383 AromaticContact CE2-CZ 3.7Å; F368-F383 HydrophobicContact CE2-CZ 3.7Å; F368-F383 HydrophobicContact CZ-CE1 4.25Å; F368-F383 AromaticContact CZ-CZ 3.83Å; F368-F383 HydrophobicContact CZ-CZ 3.83Å; F368-M416 HydrophobicContact CD2-CE 4.28Å; F368-M416 HydrophobicContact CD2-SD 3.54Å; F368-M416 VanDerWaalsContact CD2-SD 3.54Å; F368-M416 HydrophobicContact CE2-SD 3.8Å; F368-P424 HydrophobicContact CB-CG 4.46Å; F368-P424 HydrophobicContact CD1-CG 3.33Å; F368-P424 HydrophobicContact CD2-CG 4.16Å; F368-P424 HydrophobicContact CE1-CG 3.43Å; F368-P424 VanDerWaalsContact CE1-CG 3.43Å; F368-P424 HydrophobicContact CE2-CG 4.23Å; F368-P424 HydrophobicContact CG-CG 3.71Å; F368-P424 HydrophobicContact CZ-CG 3.89Å; F368-Y427 HydrophobicContact CE1-CD2 4.03Å; F368-Y427 AromaticContact CE1-CE2 3.4Å; F368-Y427 HydrophobicContact CE1-CE2 3.4Å; F368-Y427 VanDerWaalsContact CE1-CE2 3.4Å; F368-Y427 AromaticContact CE1-CZ 3.89Å; F368-Y427 AromaticContact CZ-CD2 3.81Å; F368-Y427 HydrophobicContact CZ-CD2 3.81Å; F368-Y427 HydrophobicContact CZ-CE1 4.34Å; F368-Y427 AromaticContact CZ-CE2 3.49Å; F368-Y427 HydrophobicContact CZ-CE2 3.49Å; F368-Y427 VanDerWaalsContact CZ-CE2 3.49Å; F368-Y427 HydrophobicContact CZ-CG 4.42Å; F368-Y427 AromaticContact CZ-CZ 3.78Å
369	D	95.2	Very high	96.8	Very high	112 Å²	112	48.3 Å²	48.3	60%	0.599	24%	0.241	S	C	*	.	H	α-helix	trans	-62.7	-48.9	-177.6	-170.1	61.5	0	0	0	111.6	N367 I371 N373	N367-D369 PolarHBondContact O-N 2.88Å; D369-I371 VanDerWaalsContact C-N 3.28Å; D369-I371 PolarHBondContact O-N 3.07Å; D369-N373 WeakPolarHBondContact O-CA 3.31Å; D369-N373 VanDerWaalsContact O-CB 3.29Å; D369-N373 WeakPolarHBondContact O-CB 3.33Å; D369-N373 PolarHBondContact O-N 2.8Å; D369-N373 PolarHBondContact OD1-ND2 3.25Å
370	E	96.2	Very high	96.9	Very high	152 Å²	152	47.1 Å²	47.1	71%	0.71	23%	0.231	S	C	*	.	H	α-helix	trans	-55.5	-41.4	178.7	-174.8	-170.8	158.6	0	0	112.5	N367	N367-E370 PolarHBondContact O-N 3.46Å
371	I	96.8	Very high	96.9	Very high	24 Å²	24	46.8 Å²	46.8	12%	0.123	23%	0.229	C	C	.	.	H	α-helix	trans	-88.2	-52.3	-174	-63.4	168.2	0	0	0	111.4	K361 L363 N367 F368 D369 V412	K361-I371 HydrophobicContact CG-CD1 3.87Å; K361-I371 HydrophobicContact CG-CG2 4.39Å; L363-I371 HydrophobicContact CD2-CB 3.72Å; L363-I371 HydrophobicContact CD2-CD1 3.62Å; L363-I371 HydrophobicContact CD2-CG1 4.26Å; L363-I371 HydrophobicContact CD2-CG2 3.69Å; N367-I371 HydrophobicContact CB-CD1 4.04Å; N367-I371 VanDerWaalsContact ND2-CD1 3.35Å; N367-I371 WeakPolarHBondContact ND2-CD1 3.27Å; N367-I371 WeakPolarHBondContact O-CG1 3.36Å; N367-I371 PolarHBondContact O-N 2.94Å; N367-I371 VanDerWaalsContact O-N 3.17Å; F368-I371 PolarHBondContact O-N 2.69Å; D369-I371 VanDerWaalsContact C-N 3.28Å; D369-I371 PolarHBondContact O-N 3.07Å; I371-V412 HydrophobicContact CG2-CG1 4.2Å
372	V	97.8	Very high	97	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-78.1	-38.7	-170.7	-177.3	0	0	0	0	111.5	L363 F368 N374 V379 Y427 V438 K443	L363-V372 HydrophobicContact CD1-CG2 3.51Å; L363-V372 HydrophobicContact CD2-CG2 4.11Å; L363-V372 HydrophobicContact CG-CG2 4.48Å; F368-V372 HydrophobicContact CD1-CB 3.93Å; F368-V372 HydrophobicContact CD1-CG2 3.97Å; F368-V372 HydrophobicContact CD2-CG2 4.1Å; F368-V372 HydrophobicContact CE1-CB 3.6Å; F368-V372 HydrophobicContact CE1-CG1 3.74Å; F368-V372 HydrophobicContact CE1-CG2 3.75Å; F368-V372 HydrophobicContact CE2-CG2 3.9Å; F368-V372 HydrophobicContact CG-CG2 4.15Å; F368-V372 HydrophobicContact CZ-CB 4Å; F368-V372 HydrophobicContact CZ-CG1 3.92Å; F368-V372 HydrophobicContact CZ-CG2 3.72Å; F368-V372 VanDerWaalsContact O-CB 3.28Å; F368-V372 WeakPolarHBondContact O-CB 3.42Å; F368-V372 WeakPolarHBondContact O-CG2 3.34Å; F368-V372 PolarHBondContact O-N 3.37Å; V372-N374 VanDerWaalsContact C-N 3.29Å; V372-N374 PolarHBondContact O-N 2.88Å; V372-V379 HydrophobicContact CG1-CG1 4.35Å; V372-V379 HydrophobicContact CG2-CG1 4.26Å; V372-Y427 WeakPolarHBondContact CG1-OH 3.45Å; V372-V438 HydrophobicContact CG1-CB 4.29Å; V372-V438 HydrophobicContact CG1-CG1 4.33Å; V372-V438 HydrophobicContact CG1-CG2 3.8Å; V372-K443 PolarHBondContact O-NZ 2.91Å
373	N	95.9	Very high	97	Very high	45 Å²	45	39.1 Å²	39.1	24%	0.241	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	14.6	-179.6	-61.4	-27.1	0	0	0	113.1	D369 E375 K443	D369-N373 WeakPolarHBondContact O-CA 3.31Å; D369-N373 VanDerWaalsContact O-CB 3.29Å; D369-N373 WeakPolarHBondContact O-CB 3.33Å; D369-N373 PolarHBondContact O-N 2.8Å; D369-N373 PolarHBondContact OD1-ND2 3.25Å; N373-E375 PolarHBondContact O-N 3.44Å; N373-K443 HydrophobicContact CB-CB 4.27Å; N373-K443 HydrophobicContact CB-CG 4.31Å
374	N	96.6	Very high	97	Very high	60 Å²	60	40.9 Å²	40.9	32%	0.321	20%	0.204	S	C	.	.			trans	-61.9	109	170.5	-173.9	-43.6	0	0	0	110.9	V372 E376 K377 K443	V372-N374 VanDerWaalsContact C-N 3.29Å; V372-N374 PolarHBondContact O-N 2.88Å; N374-E376 PolarHBondContact O-N 3.49Å; N374-E376 WeakPolarHBondContact OD1-CB 3.48Å; N374-E376 PolarHBondContact OD1-N 3.31Å; N374-K377 HydrophobicContact CB-CB 4.42Å; N374-K377 HydrophobicContact CB-CG 4.2Å; N374-K377 PolarHBondContact O-N 2.92Å; N374-K377 VanDerWaalsContact O-N 3.09Å; N374-K443 WeakPolarHBondContact O-CE 3.3Å; N374-K443 PolarHBondContact O-NZ 2.03Å
375	E	96.7	Very high	97	Very high	110 Å²	110	41 Å²	41	51%	0.514	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-17.6	-174.1	-70.6	-64.5	170.7	0	0	114.6	N373 K440 G441	N373-E375 PolarHBondContact O-N 3.44Å; E375-K440 WeakPolarHBondContact O-CG 3.47Å; E375-G441 PolarHBondContact O-N 2.84Å; E375-G441 VanDerWaalsContact OE2-CA 3.28Å; E375-G441 WeakPolarHBondContact OE2-CA 3.41Å
376	E	96.9	Very high	97	Very high	128 Å²	128	43.5 Å²	43.5	60%	0.598	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-7.7	-178.4	-57.8	-174	166.1	0	0	113.9	N374 K440	N374-E376 PolarHBondContact O-N 3.49Å; N374-E376 WeakPolarHBondContact OD1-CB 3.48Å; N374-E376 PolarHBondContact OD1-N 3.31Å; E376-K440 WeakPolarHBondContact O-CD 3.34Å
377	K	97.9	Very high	96.9	Very high	44 Å²	44	46.7 Å²	46.7	19%	0.191	22%	0.224	C	C	.	.			trans	-118.3	141.5	-172.9	-54.5	-60.3	175.3	-167.2	0	112.4	N374 V379 P409 N410 V412 K440 K443	N374-K377 HydrophobicContact CB-CB 4.42Å; N374-K377 HydrophobicContact CB-CG 4.2Å; N374-K377 PolarHBondContact O-N 2.92Å; N374-K377 VanDerWaalsContact O-N 3.09Å; K377-V379 HydrophobicContact CB-CG2 4.12Å; K377-P409 PolarHBondContact NZ-O 3.39Å; K377-N410 CarbonylContact C-O 3.56Å; K377-N410 WeakPolarHBondContact CA-O 3.14Å; K377-N410 PolarHBondContact NZ-OD1 3.09Å; K377-V412 HydrophobicContact CB-CG2 4.34Å; K377-V412 HydrophobicContact CG-CG2 4.35Å; K377-K440 WeakPolarHBondContact O-CA 3.27Å; K377-K440 PolarHBondContact O-N 3.12Å; K377-K443 PolarHBondContact O-NZ 2.87Å
378	D	98.5	Very high	96.8	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	133.4	154.9	-70	-45.9	0	0	0	108.7	N410 L411 V412 F437 P439 K440 T467	D378-N410 PolarHBondContact N-O 2.85Å; D378-L411 HydrophobicContact CB-CD1 4.03Å; D378-L411 CarbonylContact O-C 3.55Å; D378-L411 WeakPolarHBondContact O-CA 3.33Å; D378-V412 PolarHBondContact O-N 3.47Å; D378-F437 HydrophobicContact CB-CE2 3.81Å; D378-F437 HydrophobicContact CB-CZ 3.79Å; D378-P439 VanDerWaalsContact OD1-CA 3.25Å; D378-P439 WeakPolarHBondContact OD1-CA 3.5Å; D378-K440 PolarHBondContact OD1-N 3.19Å; D378-T467 WeakPolarHBondContact OD1-CB 3.22Å; D378-T467 PolarHBondContact OD1-OG1 3.16Å; D378-T467 WeakPolarHBondContact OD2-CB 3.5Å; D378-T467 PolarHBondContact OD2-N 3.3Å
379	V	98.5	Very high	96.7	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	126.7	-178.6	-172.4	0	0	0	0	110.2	V372 K377 V412 A414 F437 V438	V372-V379 HydrophobicContact CG1-CG1 4.35Å; V372-V379 HydrophobicContact CG2-CG1 4.26Å; K377-V379 HydrophobicContact CB-CG2 4.12Å; V379-V412 CarbonylContact C-O 3.12Å; V379-V412 WeakPolarHBondContact CA-O 3.48Å; V379-V412 HydrophobicContact CG1-CB 4.29Å; V379-V412 HydrophobicContact CG1-CG1 4.48Å; V379-V412 HydrophobicContact CG2-CB 4.23Å; V379-A414 HydrophobicContact CG1-CB 4.42Å; V379-F437 CarbonylContact O-C 3.56Å; V379-V438 HydrophobicContact CB-CB 4.32Å; V379-V438 PolarHBondContact N-O 3.12Å; V379-V438 WeakPolarHBondContact O-CB 2.99Å; V379-V438 PolarHBondContact O-N 3.08Å
380	M	98.6	Very high	96.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	127.4	166.4	-168.7	174.1	-176.4	0	0	108.5	Y398 V412 L413 A414 I435 Y436 F437 Y449 I458 L462	M380-Y398 WeakPolarHBondContact CB-OH 3.45Å; M380-Y398 HydrophobicContact CE-CE2 4.26Å; M380-Y398 HydrophobicContact CG-CE2 4.29Å; M380-Y398 WeakPolarHBondContact CG-OH 3.42Å; M380-Y398 PolarHBondContact O-OH 3.3Å; M380-Y398 HydrophobicContact SD-CE2 3.95Å; M380-V412 PolarHBondContact N-O 3.41Å; M380-L413 HydrophobicContact CB-CG 4.42Å; M380-A414 PolarHBondContact O-N 3.35Å; M380-I435 HydrophobicContact CE-CG2 3.43Å; M380-I435 VanDerWaalsContact CE-CG2 3.43Å; M380-I435 HydrophobicContact CG-CG2 4.15Å; M380-Y436 CarbonylContact C-O 3.57Å; M380-Y436 WeakPolarHBondContact CA-O 3.33Å; M380-F437 HydrophobicContact CB-CD2 4.31Å; M380-Y449 HydrophobicContact CE-CD1 4Å; M380-Y449 HydrophobicContact CE-CD2 4.02Å; M380-Y449 HydrophobicContact CE-CE1 4.27Å; M380-Y449 HydrophobicContact CE-CE2 4.3Å; M380-Y449 HydrophobicContact CE-CG 3.84Å; M380-I458 HydrophobicContact CE-CG2 4.22Å; M380-I458 HydrophobicContact SD-CG2 3.92Å; M380-L462 HydrophobicContact CB-CD2 4.12Å; M380-L462 HydrophobicContact CG-CD2 4.49Å; M380-L462 HydrophobicContact SD-CD1 3.91Å; M380-L462 HydrophobicContact SD-CD2 3.79Å; M380-L462 HydrophobicContact SD-CG 3.98Å
381	V	98.4	Very high	96.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.2	-177.1	58.7	0	0	0	0	111	L363 F368 F383 A414 Y427 I435 Y436 V438	L363-V381 HydrophobicContact CD1-CB 4.38Å; L363-V381 HydrophobicContact CD1-CG2 3.55Å; F368-V381 HydrophobicContact CE2-CG2 4.27Å; V381-F383 HydrophobicContact CG1-CE2 3.87Å; V381-F383 HydrophobicContact CG1-CZ 4.2Å; V381-F383 HydrophobicContact CG2-CD2 4.5Å; V381-F383 HydrophobicContact CG2-CE1 4.26Å; V381-F383 HydrophobicContact CG2-CE2 4.12Å; V381-F383 HydrophobicContact CG2-CZ 4Å; V381-A414 CarbonylContact C-O 3.57Å; V381-A414 WeakPolarHBondContact CA-O 3.47Å; V381-Y427 HydrophobicContact CG1-CE1 4.13Å; V381-I435 WeakPolarHBondContact O-CA 3.42Å; V381-Y436 PolarHBondContact N-O 2.85Å; V381-Y436 PolarHBondContact O-N 3.17Å; V381-V438 HydrophobicContact CG1-CG2 4.4Å
382	V	98.5	Very high	96.7	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	116.3	171.9	178.1	0	0	0	0	109.6	H384 L394 M395 Y398 A414 A415 M416 P433 I435	V382-H384 HydrophobicContact CG1-CB 4.37Å; V382-L394 HydrophobicContact CG1-CD2 4.06Å; V382-M395 HydrophobicContact CG1-SD 4.18Å; V382-Y398 HydrophobicContact CB-CE1 4.39Å; V382-Y398 HydrophobicContact CG2-CD1 3.9Å; V382-Y398 HydrophobicContact CG2-CD2 3.91Å; V382-Y398 HydrophobicContact CG2-CE1 3.59Å; V382-Y398 HydrophobicContact CG2-CE2 3.64Å; V382-Y398 HydrophobicContact CG2-CG 4.06Å; V382-Y398 VanDerWaalsContact CG2-CZ 3.47Å; V382-A414 PolarHBondContact N-O 2.96Å; V382-A415 HydrophobicContact CB-CB 4.33Å; V382-A415 CarbonylContact O-C 3.57Å; V382-A415 VanDerWaalsContact O-CA 3.3Å; V382-A415 WeakPolarHBondContact O-CA 3.23Å; V382-M416 PolarHBondContact O-N 3.08Å; V382-P433 HydrophobicContact CG1-CB 4.17Å; V382-I435 HydrophobicContact CG1-CG1 4.47Å; V382-I435 HydrophobicContact CG2-CD1 4.35Å; V382-I435 HydrophobicContact CG2-CG1 4.13Å; V382-I435 HydrophobicContact CG2-CG2 4.19Å
383	F	98.6	Very high	96.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	115.6	166.6	-60.3	-78.3	0	0	0	109.2	F368 V381 M416 A418 V423 Y427 V429 P433 T434 Y436	F368-F383 AromaticContact CE2-CE1 3.67Å; F368-F383 HydrophobicContact CE2-CE1 3.67Å; F368-F383 AromaticContact CE2-CZ 3.7Å; F368-F383 HydrophobicContact CE2-CZ 3.7Å; F368-F383 HydrophobicContact CZ-CE1 4.25Å; F368-F383 AromaticContact CZ-CZ 3.83Å; F368-F383 HydrophobicContact CZ-CZ 3.83Å; V381-F383 HydrophobicContact CG1-CE2 3.87Å; V381-F383 HydrophobicContact CG1-CZ 4.2Å; V381-F383 HydrophobicContact CG2-CD2 4.5Å; V381-F383 HydrophobicContact CG2-CE1 4.26Å; V381-F383 HydrophobicContact CG2-CE2 4.12Å; V381-F383 HydrophobicContact CG2-CZ 4Å; F383-M416 WeakPolarHBondContact CA-O 3.29Å; F383-M416 HydrophobicContact CD1-CB 3.99Å; F383-M416 HydrophobicContact CD1-CG 4.42Å; F383-M416 HydrophobicContact CD1-SD 3.96Å; F383-M416 HydrophobicContact CE1-CB 4.3Å; F383-M416 HydrophobicContact CE1-SD 3.61Å; F383-A418 HydrophobicContact CB-CB 4.01Å; F383-A418 HydrophobicContact CD1-CB 4.1Å; F383-V423 HydrophobicContact CD1-CG1 4.24Å; F383-V423 HydrophobicContact CD1-CG2 4.02Å; F383-V423 HydrophobicContact CE1-CB 4.48Å; F383-V423 HydrophobicContact CE1-CG1 3.68Å; F383-V423 HydrophobicContact CE1-CG2 4.12Å; F383-V423 HydrophobicContact CZ-CG1 3.96Å; F383-Y427 AromaticContact CE2-CD1 3.65Å; F383-Y427 HydrophobicContact CE2-CD1 3.65Å; F383-Y427 HydrophobicContact CE2-CE1 4.47Å; F383-Y427 AromaticContact CE2-CG 3.9Å; F383-Y427 HydrophobicContact CE2-CG 3.9Å; F383-Y427 AromaticContact CZ-CD1 3.78Å; F383-Y427 HydrophobicContact CZ-CD1 3.78Å; F383-Y427 HydrophobicContact CZ-CD2 4.3Å; F383-Y427 HydrophobicContact CZ-CE1 4.48Å; F383-Y427 AromaticContact CZ-CG 3.67Å; F383-Y427 HydrophobicContact CZ-CG 3.67Å; F383-V429 HydrophobicContact CB-CG1 4.2Å; F383-V429 HydrophobicContact CB-CG2 3.61Å; F383-V429 HydrophobicContact CD1-CG2 4.01Å; F383-V429 HydrophobicContact CD2-CG2 3.75Å; F383-V429 HydrophobicContact CE2-CG2 4.41Å; F383-V429 HydrophobicContact CG-CG2 3.51Å; F383-P433 WeakPolarHBondContact O-CA 3.33Å; F383-T434 PolarHBondContact N-O 2.77Å; F383-T434 PolarHBondContact O-N 3.18Å; F383-Y436 HydrophobicContact CD2-CD2 4.29Å; F383-Y436 AromaticContact CE2-CD2 3.97Å; F383-Y436 HydrophobicContact CE2-CD2 3.97Å
384	H	98	Very high	96.7	Very high	37 Å²	37	50.9 Å²	50.9	17%	0.171	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	172.6	-176.5	69.1	80.7	0	0	0	112.6	V382 C391 M416 A418 F432	V382-H384 HydrophobicContact CG1-CB 4.37Å; H384-C391 HydrophobicContact CB-CB 3.99Å; H384-M416 PolarHBondContact CD2-O 3.21Å; H384-M416 VanDerWaalsContact CD2-O 3.29Å; H384-M416 PolarHBondContact N-O 3.24Å; H384-A418 PolarHBondContact O-N 2.76Å; H384-F432 VanDerWaalsContact C-CD1 3.46Å
385	A	96.5	Very high	96.8	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.008	25%	0.25	C	C	.	.			trans	-132.2	136.5	170.8	0	0	0	0	0	109.8	W387 C388 T419 F432	A385-W387 HydrophobicContact CB-CD2 4.15Å; A385-W387 HydrophobicContact CB-CH2 4.44Å; A385-W387 HydrophobicContact CB-CZ2 3.86Å; A385-W387 PolarHBondContact O-N 2.85Å; A385-W387 VanDerWaalsContact O-N 3.16Å; A385-C388 HydrophobicContact CB-CB 4.2Å; A385-C388 WeakPolarHBondContact O-CB 3.4Å; A385-C388 PolarHBondContact O-N 3.44Å; A385-T419 HydrophobicContact CB-CG2 3.57Å; A385-F432 HydrophobicContact CB-CB 4.21Å; A385-F432 HydrophobicContact CB-CD1 3.9Å; A385-F432 HydrophobicContact CB-CD2 3.6Å; A385-F432 HydrophobicContact CB-CE1 4.1Å; A385-F432 HydrophobicContact CB-CE2 3.85Å; A385-F432 HydrophobicContact CB-CG 3.63Å; A385-F432 HydrophobicContact CB-CZ 4.09Å
386	P	94.6	Very high	96.8	Very high	70 Å²	70	49.1 Å²	49.1	46%	0.455	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-29.6	-175.9	-27	34.9	0	0	0	114.5	K392 D417	P386-K392 WeakPolarHBondContact O-CE 3.49Å; P386-D417 WeakPolarHBondContact CD-OD1 3.44Å; P386-D417 WeakPolarHBondContact CD-OD2 3.46Å; P386-D417 WeakPolarHBondContact CG-OD2 3.42Å
387	W	91.4	Very high	96.9	Very high	180 Å²	180	45.6 Å²	45.6	68%	0.682	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-7.7	-179.6	49.8	-99.8	0	0	0	113.7	A385 G389 F432	A385-W387 HydrophobicContact CB-CD2 4.15Å; A385-W387 HydrophobicContact CB-CH2 4.44Å; A385-W387 HydrophobicContact CB-CZ2 3.86Å; A385-W387 PolarHBondContact O-N 2.85Å; A385-W387 VanDerWaalsContact O-N 3.16Å; W387-G389 PolarHBondContact O-N 3.36Å; W387-F432 AromaticContact CH2-CD2 3.79Å; W387-F432 HydrophobicContact CH2-CD2 3.79Å; W387-F432 HydrophobicContact CH2-CE2 4.06Å; W387-F432 AromaticContact CZ2-CD2 3.99Å; W387-F432 HydrophobicContact CZ2-CD2 3.99Å; W387-F432 AromaticContact CZ2-CE2 3.88Å; W387-F432 HydrophobicContact CZ2-CE2 3.88Å
388	C	94.6	Very high	96.9	Very high	10 Å²	10	43.5 Å²	43.5	7%	0.068	23%	0.226	C	C	.	.			trans	-80.7	118	-176.7	176.7	0	0	0	0	112.3	A385 H390 C391 K392 F432	A385-C388 HydrophobicContact CB-CB 4.2Å; A385-C388 WeakPolarHBondContact O-CB 3.4Å; A385-C388 PolarHBondContact O-N 3.44Å; C388-H390 VanDerWaalsContact C-N 3.34Å; C388-H390 PolarHBondContact O-N 2.91Å; C388-C391 HydrophobicContact CB-CB 3.96Å; C388-C391 VanDerWaalsContact CB-SG 3.57Å; C388-C391 WeakPolarHBondContact O-CB 3.06Å; C388-C391 PolarHBondContact O-N 2.84Å; C388-K392 PolarHBondContact O-N 3.43Å; C388-K392 VanDerWaalsContact O-N 3.14Å; C388-F432 HydrophobicContact CB-CB 3.99Å; C388-F432 PolarHBondContact SG-O 3.39Å
389	G	94.3	Very high	96.9	Very high	53 Å²	53	45.9 Å²	45.9	55%	0.546	24%	0.237	S	C	.	.	H	α-helix	trans	-61	-37	177.6	0	0	0	0	0	114	W387 C391 K392 N393	W387-G389 PolarHBondContact O-N 3.36Å; G389-C391 VanDerWaalsContact C-N 3.34Å; G389-C391 PolarHBondContact O-N 3.37Å; G389-K392 PolarHBondContact O-N 3.01Å; G389-N393 PolarHBondContact O-N 3.32Å
390	H	94.7	Very high	96.9	Very high	125 Å²	125	50 Å²	50	58%	0.579	26%	0.256	S	S	*	.	H	α-helix	trans	-66.8	-35.1	176	-63.9	-56.6	0	0	0	112.6	C388 N393 L394	C388-H390 VanDerWaalsContact C-N 3.34Å; C388-H390 PolarHBondContact O-N 2.91Å; H390-N393 PolarHBondContact O-N 3.05Å; H390-L394 PolarHBondContact O-N 3.45Å
391	C	96.9	Very high	96.9	Very high	3 Å²	3	50 Å²	50	2%	0.02	26%	0.256	C	S	.	.	H	α-helix	trans	-64.9	-45.9	174.5	-64.4	0	0	0	0	110.6	H384 C388 G389 N393 L394 M395	H384-C391 HydrophobicContact CB-CB 3.99Å; C388-C391 HydrophobicContact CB-CB 3.96Å; C388-C391 VanDerWaalsContact CB-SG 3.57Å; C388-C391 WeakPolarHBondContact O-CB 3.06Å; C388-C391 PolarHBondContact O-N 2.84Å; G389-C391 VanDerWaalsContact C-N 3.34Å; G389-C391 PolarHBondContact O-N 3.37Å; C391-N393 PolarHBondContact O-N 2.98Å; C391-N393 VanDerWaalsContact O-N 3.16Å; C391-L394 PolarHBondContact O-N 3.18Å; C391-M395 VanDerWaalsContact O-CG 3.32Å; C391-M395 WeakPolarHBondContact O-CG 3.33Å; C391-M395 PolarHBondContact O-N 3.45Å
392	K	96.4	Very high	96.8	Very high	139 Å²	139	50.1 Å²	50.1	60%	0.604	26%	0.257	S	S	*	.	H	α-helix	trans	-57	-32.5	178.2	-67.6	-179.9	-177.1	-177.9	0	113.2	P386 C388 G389 P396	P386-K392 WeakPolarHBondContact O-CE 3.49Å; C388-K392 PolarHBondContact O-N 3.43Å; C388-K392 VanDerWaalsContact O-N 3.14Å; G389-K392 PolarHBondContact O-N 3.01Å; K392-P396 WeakPolarHBondContact O-CD 3.27Å
393	N	96.7	Very high	96.8	Very high	102 Å²	102	53.2 Å²	53.2	55%	0.545	28%	0.279	S	S	.	.	H	α-helix	trans	-80	-34.7	175.2	-169.8	26.8	0	0	0	113.3	G389 H390 C391	G389-N393 PolarHBondContact O-N 3.32Å; H390-N393 PolarHBondContact O-N 3.05Å; C391-N393 PolarHBondContact O-N 2.98Å; C391-N393 VanDerWaalsContact O-N 3.16Å
394	L	97.7	Very high	96.7	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.016	30%	0.297	C	S	.	.	H	α-helix	trans	-71.9	-45.4	178.9	171.9	65.1	0	0	0	112.1	V382 H390 C391 K397 Y398 P433 I435 R453 I458	V382-L394 HydrophobicContact CG1-CD2 4.06Å; H390-L394 PolarHBondContact O-N 3.45Å; C391-L394 PolarHBondContact O-N 3.18Å; L394-K397 WeakPolarHBondContact O-CB 3.44Å; L394-K397 PolarHBondContact O-N 3.42Å; L394-Y398 PolarHBondContact O-N 3.18Å; L394-P433 HydrophobicContact CD2-CB 3.76Å; L394-P433 HydrophobicContact CD2-CG 3.61Å; L394-I435 HydrophobicContact CD2-CD1 3.68Å; L394-I435 HydrophobicContact CD2-CG1 4.47Å; L394-R453 HydrophobicContact CD1-CB 4.02Å; L394-R453 HydrophobicContact CD1-CG 4.34Å; L394-I458 HydrophobicContact CD1-CD1 4.29Å
395	M	97.7	Very high	96.6	Very high	46 Å²	46	55.9 Å²	55.9	23%	0.227	29%	0.29	C	S	.	.	H	α-helix	trans	-55.6	-43.5	-168	-69.6	-52	-64.2	0	0	114.1	V382 C391 K397 Y398 E399 A415	V382-M395 HydrophobicContact CG1-SD 4.18Å; C391-M395 VanDerWaalsContact O-CG 3.32Å; C391-M395 WeakPolarHBondContact O-CG 3.33Å; C391-M395 PolarHBondContact O-N 3.45Å; M395-K397 VanDerWaalsContact C-N 3.32Å; M395-K397 PolarHBondContact O-N 3Å; M395-Y398 PolarHBondContact O-N 3.26Å; M395-E399 WeakPolarHBondContact O-CB 3.3Å; M395-E399 PolarHBondContact O-N 3.12Å; M395-A415 HydrophobicContact CE-CB 3.76Å
396	P	97.9	Very high	96.5	Very high	86 Å²	86	62.7 Å²	62.7	56%	0.558	32%	0.319	S	S	*	.	H	α-helix	trans	-62.6	-35.6	176.2	-24.3	35.2	0	0	0	113.9	K392 E400	K392-P396 WeakPolarHBondContact O-CD 3.27Å; P396-E400 PolarHBondContact O-N 2.9Å
397	K	98.2	Very high	96.4	Very high	54 Å²	54	66.3 Å²	66.3	24%	0.235	34%	0.335	C	S	.	.	H	α-helix	trans	-73.6	-36.1	178.3	-56.3	178.7	-176.3	-174.8	0	111.1	L394 M395 E400 A401 R453 D454 T455	L394-K397 WeakPolarHBondContact O-CB 3.44Å; L394-K397 PolarHBondContact O-N 3.42Å; M395-K397 VanDerWaalsContact C-N 3.32Å; M395-K397 PolarHBondContact O-N 3Å; K397-E400 PolarHBondContact O-N 3.1Å; K397-A401 PolarHBondContact O-N 3.24Å; K397-R453 WeakPolarHBondContact CD-O 3.39Å; K397-D454 IonicContact NZ-OD1 3.39Å; K397-D454 PolarHBondContact NZ-OD1 3.11Å; K397-T455 PolarHBondContact O-OG1 3.26Å
398	Y	98.4	Very high	96.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-66.4	-40.7	173.9	-162.5	-109.5	0	0	0	111.6	V360 M380 V382 L394 M395 A401 A402 L413 I458	V360-Y398 HydrophobicContact CG1-CD1 4.04Å; V360-Y398 HydrophobicContact CG1-CE1 3.91Å; V360-Y398 HydrophobicContact CG2-CD1 3.64Å; V360-Y398 HydrophobicContact CG2-CE1 4.02Å; M380-Y398 WeakPolarHBondContact CB-OH 3.45Å; M380-Y398 HydrophobicContact CE-CE2 4.26Å; M380-Y398 HydrophobicContact CG-CE2 4.29Å; M380-Y398 WeakPolarHBondContact CG-OH 3.42Å; M380-Y398 PolarHBondContact O-OH 3.3Å; M380-Y398 HydrophobicContact SD-CE2 3.95Å; V382-Y398 HydrophobicContact CB-CE1 4.39Å; V382-Y398 HydrophobicContact CG2-CD1 3.9Å; V382-Y398 HydrophobicContact CG2-CD2 3.91Å; V382-Y398 HydrophobicContact CG2-CE1 3.59Å; V382-Y398 HydrophobicContact CG2-CE2 3.64Å; V382-Y398 HydrophobicContact CG2-CG 4.06Å; V382-Y398 VanDerWaalsContact CG2-CZ 3.47Å; L394-Y398 PolarHBondContact O-N 3.18Å; M395-Y398 PolarHBondContact O-N 3.26Å; Y398-A401 PolarHBondContact O-N 2.91Å; Y398-A402 WeakPolarHBondContact O-CB 3.07Å; Y398-A402 PolarHBondContact O-N 3.39Å; Y398-L413 HydrophobicContact CD2-CD2 4.36Å; Y398-L413 HydrophobicContact CE1-CB 3.98Å; Y398-L413 HydrophobicContact CE1-CD2 4.34Å; Y398-L413 HydrophobicContact CE1-CG 4.45Å; Y398-L413 HydrophobicContact CE2-CD2 3.81Å; Y398-L413 HydrophobicContact CE2-CG 4.3Å; Y398-I458 HydrophobicContact CD2-CD1 3.87Å; Y398-I458 HydrophobicContact CD2-CG2 4.47Å; Y398-I458 HydrophobicContact CE2-CG2 4.34Å
399	E	98.2	Very high	96.6	Very high	55 Å²	55	61.7 Å²	61.7	26%	0.257	33%	0.327	S	S	.	.	H	α-helix	trans	-60.6	-42.9	172.1	-171.7	68.8	-158.6	0	0	112.1	S358 A359 V360 M395 A402 S403	S358-E399 WeakPolarHBondContact CA-OE1 3.23Å; S358-E399 VanDerWaalsContact OG-CD 3.25Å; S358-E399 PolarHBondContact OG-OE1 3.02Å; S358-E399 PolarHBondContact OG-OE2 3.5Å; A359-E399 PolarHBondContact N-OE1 2.69Å; V360-E399 WeakPolarHBondContact CB-OE2 3.19Å; V360-E399 VanDerWaalsContact CG2-OE2 3.23Å; V360-E399 WeakPolarHBondContact CG2-OE2 3.32Å; M395-E399 WeakPolarHBondContact O-CB 3.3Å; M395-E399 PolarHBondContact O-N 3.12Å; E399-A402 PolarHBondContact O-N 2.81Å; E399-S403 WeakPolarHBondContact O-CB 3.5Å; E399-S403 PolarHBondContact O-N 2.85Å; E399-S403 PolarHBondContact O-OG 2.91Å
400	E	98.3	Very high	96.7	Very high	85 Å²	85	61 Å²	61	40%	0.397	31%	0.31	S	S	.	.	H	α-helix	trans	-63	-42.6	175.7	-167	-162.9	166	0	0	111.5	P396 K397 S403 K404 T455	P396-E400 PolarHBondContact O-N 2.9Å; K397-E400 PolarHBondContact O-N 3.1Å; E400-S403 PolarHBondContact O-N 2.8Å; E400-K404 WeakPolarHBondContact O-CG 3.46Å; E400-K404 PolarHBondContact O-N 3.43Å; E400-K404 VanDerWaalsContact OE1-CE 3.25Å; E400-K404 WeakPolarHBondContact OE1-CE 3.42Å; E400-K404 IonicContact OE1-NZ 2.78Å; E400-K404 PolarHBondContact OE1-NZ 3.08Å; E400-T455 HydrophobicContact CB-CG2 4Å; E400-T455 HydrophobicContact CG-CG2 3.95Å; E400-T455 PolarHBondContact OE2-OG1 3.25Å
401	A	98	Very high	96.9	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.7	-46.4	176.4	0	0	0	0	0	111.2	K397 Y398 S403 K404 L405 L413 T455 I458 I459	K397-A401 PolarHBondContact O-N 3.24Å; Y398-A401 PolarHBondContact O-N 2.91Å; A401-S403 VanDerWaalsContact C-N 3.32Å; A401-S403 PolarHBondContact O-N 3.32Å; A401-K404 PolarHBondContact O-N 3.22Å; A401-L405 WeakPolarHBondContact O-CB 3.46Å; A401-L405 WeakPolarHBondContact O-CG 3.35Å; A401-L405 PolarHBondContact O-N 3.23Å; A401-L413 HydrophobicContact CB-CD2 4.19Å; A401-T455 HydrophobicContact CB-CG2 3.99Å; A401-I458 HydrophobicContact CB-CB 4.29Å; A401-I458 HydrophobicContact CB-CG2 3.91Å; A401-I459 HydrophobicContact CB-CG1 4.3Å
402	A	98.2	Very high	96.9	Very high	4 Å²	4	57.4 Å²	57.4	3%	0.033	30%	0.296	C	S	.	.	H	α-helix	trans	-61	-41.2	176.7	0	0	0	0	0	111.8	A359 V360 Y398 E399 K404 L405 K406 L413	A359-A402 HydrophobicContact CB-CB 3.79Å; V360-A402 HydrophobicContact CG2-CB 3.58Å; Y398-A402 WeakPolarHBondContact O-CB 3.07Å; Y398-A402 PolarHBondContact O-N 3.39Å; E399-A402 PolarHBondContact O-N 2.81Å; A402-K404 PolarHBondContact O-N 3.25Å; A402-L405 CarbonylContact O-C 3.55Å; A402-L405 PolarHBondContact O-N 3.01Å; A402-K406 PolarHBondContact O-N 2.84Å; A402-L413 HydrophobicContact CB-CB 3.82Å; A402-L413 HydrophobicContact CB-CD2 3.88Å; A402-L413 HydrophobicContact CB-CG 4.39Å
403	S	97.5	Very high	97	Very high	64 Å²	64	51.2 Å²	51.2	45%	0.448	27%	0.269	S	S	.	.	H	α-helix	trans	-62.6	-41.7	176.9	-62.8	0	0	0	0	112.3	A359 E399 E400 A401 L405 K406	A359-S403 WeakPolarHBondContact CB-OG 3.47Å; E399-S403 WeakPolarHBondContact O-CB 3.5Å; E399-S403 PolarHBondContact O-N 2.85Å; E399-S403 PolarHBondContact O-OG 2.91Å; E400-S403 PolarHBondContact O-N 2.8Å; A401-S403 VanDerWaalsContact C-N 3.32Å; A401-S403 PolarHBondContact O-N 3.32Å; S403-L405 VanDerWaalsContact C-N 3.32Å; S403-L405 PolarHBondContact O-N 3.1Å; S403-K406 WeakPolarHBondContact O-CB 3.42Å; S403-K406 PolarHBondContact O-N 3.36Å
404	K	96.8	Very high	97.1	Very high	89 Å²	89	46.3 Å²	46.3	39%	0.387	24%	0.244	S	C	.	.	H	α-helix	trans	-67.8	-31	176.3	-73.8	176.1	-176.8	169.4	0	113	E400 A401 A402 T455 I459	E400-K404 WeakPolarHBondContact O-CG 3.46Å; E400-K404 PolarHBondContact O-N 3.43Å; E400-K404 VanDerWaalsContact OE1-CE 3.25Å; E400-K404 WeakPolarHBondContact OE1-CE 3.42Å; E400-K404 IonicContact OE1-NZ 2.78Å; E400-K404 PolarHBondContact OE1-NZ 3.08Å; A401-K404 PolarHBondContact O-N 3.22Å; A402-K404 PolarHBondContact O-N 3.25Å; K404-T455 HydrophobicContact CD-CG2 4.35Å; K404-I459 HydrophobicContact CB-CD1 4.28Å; K404-I459 HydrophobicContact CD-CD1 3.77Å
405	L	96.7	Very high	97.1	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.021	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	6.3	-178.1	-64.3	168.7	0	0	0	113.3	A401 A402 S403 N407 E408 L411 L413 I459 L462 L470 Y473	A401-L405 WeakPolarHBondContact O-CB 3.46Å; A401-L405 WeakPolarHBondContact O-CG 3.35Å; A401-L405 PolarHBondContact O-N 3.23Å; A402-L405 CarbonylContact O-C 3.55Å; A402-L405 PolarHBondContact O-N 3.01Å; S403-L405 VanDerWaalsContact C-N 3.32Å; S403-L405 PolarHBondContact O-N 3.1Å; L405-N407 PolarHBondContact O-N 3.32Å; L405-E408 HydrophobicContact CB-CG 4.26Å; L405-E408 HydrophobicContact CD2-CG 3.97Å; L405-E408 VanDerWaalsContact O-CB 3.31Å; L405-E408 WeakPolarHBondContact O-CB 3.4Å; L405-E408 WeakPolarHBondContact O-CG 3.45Å; L405-E408 PolarHBondContact O-N 3.46Å; L405-L411 HydrophobicContact CB-CD2 4.27Å; L405-L411 HydrophobicContact CD1-CD2 3.96Å; L405-L411 HydrophobicContact CD2-CD2 4.4Å; L405-L411 HydrophobicContact CG-CD2 4.45Å; L405-L413 HydrophobicContact CD1-CD1 4.19Å; L405-I459 HydrophobicContact CD1-CG1 4.12Å; L405-I459 HydrophobicContact CG-CG1 4.43Å; L405-L462 HydrophobicContact CD1-CD1 3.61Å; L405-L470 HydrophobicContact CD2-CD1 3.9Å; L405-Y473 HydrophobicContact CD2-CD2 3.81Å; L405-Y473 HydrophobicContact CD2-CE2 3.65Å
406	K	94	Very high	97.1	Very high	145 Å²	145	44.3 Å²	44.3	63%	0.63	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.7	-173.4	-167.3	172.8	-177.1	171.9	0	114.3	A402 S403	A402-K406 PolarHBondContact O-N 2.84Å; S403-K406 WeakPolarHBondContact O-CB 3.42Å; S403-K406 PolarHBondContact O-N 3.36Å
407	N	92.9	Very high	97.1	Very high	145 Å²	145	41.1 Å²	41.1	78%	0.775	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	0.8	179.2	-63.5	-27.8	0	0	0	113.5	L405 P409	L405-N407 PolarHBondContact O-N 3.32Å; N407-P409 VanDerWaalsContact O-CD 3.3Å; N407-P409 WeakPolarHBondContact O-CD 3.2Å
408	E	96	Very high	97	Very high	18 Å²	18	39.4 Å²	39.4	8%	0.084	21%	0.209	C	C	.	.			trans	-79.9	107.3	175.7	-62.5	-61.4	164.2	0	0	109.6	L405 N410 L411 L470 I471 G472	L405-E408 HydrophobicContact CB-CG 4.26Å; L405-E408 HydrophobicContact CD2-CG 3.97Å; L405-E408 VanDerWaalsContact O-CB 3.31Å; L405-E408 WeakPolarHBondContact O-CB 3.4Å; L405-E408 WeakPolarHBondContact O-CG 3.45Å; L405-E408 PolarHBondContact O-N 3.46Å; E408-N410 VanDerWaalsContact C-N 3.26Å; E408-N410 PolarHBondContact O-N 3.42Å; E408-L411 HydrophobicContact CB-CB 3.9Å; E408-L411 HydrophobicContact CB-CD2 4.35Å; E408-L411 PolarHBondContact O-N 3.21Å; E408-L470 HydrophobicContact CG-CD2 4.18Å; E408-L470 WeakPolarHBondContact OE2-CA 3.42Å; E408-I471 VanDerWaalsContact CD-N 3.32Å; E408-I471 PolarHBondContact OE1-N 3.28Å; E408-I471 VanDerWaalsContact OE1-N 3.14Å; E408-I471 PolarHBondContact OE2-N 3.32Å; E408-G472 PolarHBondContact OE1-N 3.14Å
409	P	93.9	Very high	96.7	Very high	76 Å²	76	41.8 Å²	41.8	49%	0.494	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-26.6	-166.1	26.6	-35.6	0	0	0	113.1	K377 N407 I471	K377-P409 PolarHBondContact NZ-O 3.39Å; N407-P409 VanDerWaalsContact O-CD 3.3Å; N407-P409 WeakPolarHBondContact O-CD 3.2Å; P409-I471 VanDerWaalsContact CD-CD1 3.44Å; P409-I471 HydrophobicContact CG-CD1 3.92Å
410	N	95.7	Very high	96.5	Very high	38 Å²	38	40.5 Å²	40.5	20%	0.203	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	12.2	-174	-66.4	-26	0	0	0	113.4	K377 D378 E408 E468	K377-N410 CarbonylContact C-O 3.56Å; K377-N410 WeakPolarHBondContact CA-O 3.14Å; K377-N410 PolarHBondContact NZ-OD1 3.09Å; D378-N410 PolarHBondContact N-O 2.85Å; E408-N410 VanDerWaalsContact C-N 3.26Å; E408-N410 PolarHBondContact O-N 3.42Å; N410-E468 PolarHBondContact ND2-OE2 3.22Å
411	L	98.1	Very high	96.3	Very high	17 Å²	17	36.7 Å²	36.7	9%	0.089	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	130.8	-176.2	178.8	61.7	0	0	0	111.3	D378 L405 E408 L413 L462 L470	D378-L411 HydrophobicContact CB-CD1 4.03Å; D378-L411 CarbonylContact O-C 3.55Å; D378-L411 WeakPolarHBondContact O-CA 3.33Å; L405-L411 HydrophobicContact CB-CD2 4.27Å; L405-L411 HydrophobicContact CD1-CD2 3.96Å; L405-L411 HydrophobicContact CD2-CD2 4.4Å; L405-L411 HydrophobicContact CG-CD2 4.45Å; E408-L411 HydrophobicContact CB-CB 3.9Å; E408-L411 HydrophobicContact CB-CD2 4.35Å; E408-L411 PolarHBondContact O-N 3.21Å; L411-L413 HydrophobicContact CD1-CD1 4.2Å; L411-L413 HydrophobicContact CD2-CD1 4.1Å; L411-L413 HydrophobicContact CG-CD1 3.87Å; L411-L462 HydrophobicContact CD1-CD2 4.01Å; L411-L462 HydrophobicContact CD2-CB 4.44Å; L411-L462 HydrophobicContact CD2-CD1 4.24Å; L411-L470 HydrophobicContact CD2-CD2 3.96Å
412	V	98	Very high	96.1	Very high	36 Å²	36	39 Å²	39	22%	0.218	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.7	175.3	-177.9	0	0	0	0	109.4	K361 I371 K377 D378 V379 M380 A414	K361-V412 HydrophobicContact CB-CG1 4.21Å; I371-V412 HydrophobicContact CG2-CG1 4.2Å; K377-V412 HydrophobicContact CB-CG2 4.34Å; K377-V412 HydrophobicContact CG-CG2 4.35Å; D378-V412 PolarHBondContact O-N 3.47Å; V379-V412 CarbonylContact C-O 3.12Å; V379-V412 WeakPolarHBondContact CA-O 3.48Å; V379-V412 HydrophobicContact CG1-CB 4.29Å; V379-V412 HydrophobicContact CG1-CG1 4.48Å; V379-V412 HydrophobicContact CG2-CB 4.23Å; M380-V412 PolarHBondContact N-O 3.41Å; V412-A414 HydrophobicContact CG1-CB 4.36Å
413	L	98.5	Very high	95.9	Very high	8 Å²	8	40.9 Å²	40.9	4%	0.042	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	127.4	166.9	-81.3	73	0	0	0	108	V360 K361 M380 Y398 A401 A402 L405 L411 I458 L462	V360-L413 WeakPolarHBondContact CA-O 3.3Å; K361-L413 PolarHBondContact N-O 2.78Å; M380-L413 HydrophobicContact CB-CG 4.42Å; Y398-L413 HydrophobicContact CD2-CD2 4.36Å; Y398-L413 HydrophobicContact CE1-CB 3.98Å; Y398-L413 HydrophobicContact CE1-CD2 4.34Å; Y398-L413 HydrophobicContact CE1-CG 4.45Å; Y398-L413 HydrophobicContact CE2-CD2 3.81Å; Y398-L413 HydrophobicContact CE2-CG 4.3Å; A401-L413 HydrophobicContact CB-CD2 4.19Å; A402-L413 HydrophobicContact CB-CB 3.82Å; A402-L413 HydrophobicContact CB-CD2 3.88Å; A402-L413 HydrophobicContact CB-CG 4.39Å; L405-L413 HydrophobicContact CD1-CD1 4.19Å; L411-L413 HydrophobicContact CD1-CD1 4.2Å; L411-L413 HydrophobicContact CD2-CD1 4.1Å; L411-L413 HydrophobicContact CG-CD1 3.87Å; L413-I458 HydrophobicContact CD2-CG2 4.38Å; L413-L462 HydrophobicContact CD1-CD1 3.91Å; L413-L462 HydrophobicContact CD2-CD1 4.21Å; L413-L462 HydrophobicContact CG-CD1 4.34Å
414	A	98.3	Very high	95.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	155.8	-170.2	0	0	0	0	0	111.5	K361 L363 V379 M380 V381 V382 V412	K361-A414 HydrophobicContact CB-CB 4.14Å; K361-A414 CarbonylContact O-C 3.49Å; K361-A414 WeakPolarHBondContact O-CA 3.27Å; K361-A414 WeakPolarHBondContact O-CB 2.86Å; L363-A414 HydrophobicContact CD1-CB 3.66Å; L363-A414 HydrophobicContact CD2-CB 4.14Å; L363-A414 HydrophobicContact CG-CB 3.77Å; V379-A414 HydrophobicContact CG1-CB 4.42Å; M380-A414 PolarHBondContact O-N 3.35Å; V381-A414 CarbonylContact C-O 3.57Å; V381-A414 WeakPolarHBondContact CA-O 3.47Å; V382-A414 PolarHBondContact N-O 2.96Å; V412-A414 HydrophobicContact CG1-CB 4.36Å
415	A	98.3	Very high	95.3	Very high	6 Å²	6	41.2 Å²	41.2	5%	0.05	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	141.4	-178.6	0	0	0	0	0	112	V360 K361 L363 V382 M395	V360-A415 HydrophobicContact CG1-CB 3.59Å; K361-A415 PolarHBondContact O-N 2.86Å; L363-A415 WeakPolarHBondContact CB-O 3.12Å; L363-A415 PolarHBondContact N-O 3.47Å; V382-A415 HydrophobicContact CB-CB 4.33Å; V382-A415 CarbonylContact O-C 3.57Å; V382-A415 VanDerWaalsContact O-CA 3.3Å; V382-A415 WeakPolarHBondContact O-CA 3.23Å; M395-A415 HydrophobicContact CE-CB 3.76Å
416	M	98.2	Very high	95.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	131.6	-178.6	-169.3	177	-176.5	0	0	110.3	L363 A365 F368 V382 F383 H384 A418 N421 D422	L363-M416 HydrophobicContact CB-CB 3.89Å; L363-M416 HydrophobicContact CB-CG 4.22Å; A365-M416 HydrophobicContact CB-CE 4.08Å; F368-M416 HydrophobicContact CD2-CE 4.28Å; F368-M416 HydrophobicContact CD2-SD 3.54Å; F368-M416 VanDerWaalsContact CD2-SD 3.54Å; F368-M416 HydrophobicContact CE2-SD 3.8Å; V382-M416 PolarHBondContact O-N 3.08Å; F383-M416 WeakPolarHBondContact CA-O 3.29Å; F383-M416 HydrophobicContact CD1-CB 3.99Å; F383-M416 HydrophobicContact CD1-CG 4.42Å; F383-M416 HydrophobicContact CD1-SD 3.96Å; F383-M416 HydrophobicContact CE1-CB 4.3Å; F383-M416 HydrophobicContact CE1-SD 3.61Å; H384-M416 PolarHBondContact CD2-O 3.21Å; H384-M416 VanDerWaalsContact CD2-O 3.29Å; H384-M416 PolarHBondContact N-O 3.24Å; M416-A418 PolarHBondContact O-N 3.39Å; M416-A418 VanDerWaalsContact O-N 3.13Å; M416-N421 HydrophobicContact CE-CB 3.18Å; M416-N421 HydrophobicContact CG-CB 4.3Å; M416-D422 WeakPolarHBondContact CE-O 3.48Å
417	D	97.4	Very high	95.2	Very high	20 Å²	20	37.5 Å²	37.5	11%	0.107	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	99.2	163	-175.5	-14.5	0	0	0	108.8	P386 T419 A420 N421	P386-D417 WeakPolarHBondContact CD-OD1 3.44Å; P386-D417 WeakPolarHBondContact CD-OD2 3.46Å; P386-D417 WeakPolarHBondContact CG-OD2 3.42Å; D417-T419 PolarHBondContact O-N 2.91Å; D417-T419 WeakPolarHBondContact OD1-CA 3.48Å; D417-T419 WeakPolarHBondContact OD1-CB 3.13Å; D417-T419 PolarHBondContact OD1-N 2.83Å; D417-T419 PolarHBondContact OD1-OG1 3.44Å; D417-A420 HydrophobicContact CB-CB 4.23Å; D417-A420 PolarHBondContact O-N 3.15Å; D417-A420 PolarHBondContact OD1-N 3.2Å; D417-N421 PolarHBondContact O-N 3.46Å; D417-N421 PolarHBondContact O-ND2 3.3Å
418	A	96.4	Very high	95.2	Very high	18 Å²	18	35.8 Å²	35.8	15%	0.149	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	1.1	-178.5	0	0	0	0	0	113.3	F383 H384 M416 V423 V429 F432	F383-A418 HydrophobicContact CB-CB 4.01Å; F383-A418 HydrophobicContact CD1-CB 4.1Å; H384-A418 PolarHBondContact O-N 2.76Å; M416-A418 PolarHBondContact O-N 3.39Å; M416-A418 VanDerWaalsContact O-N 3.13Å; A418-V423 HydrophobicContact CB-CG2 3.54Å; A418-V429 HydrophobicContact CB-CG1 4.37Å; A418-V429 HydrophobicContact CB-CG2 4.5Å; A418-F432 HydrophobicContact CB-CE1 3.8Å; A418-F432 HydrophobicContact CB-CZ 4.45Å
419	T	91.8	Very high	95.1	Very high	50 Å²	50	36.9 Å²	36.9	31%	0.307	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-28.3	171.2	72.6	0	0	0	0	112.3	K348 A385 D417 F432	K348-T419 PolarHBondContact NZ-O 2.87Å; A385-T419 HydrophobicContact CB-CG2 3.57Å; D417-T419 PolarHBondContact O-N 2.91Å; D417-T419 WeakPolarHBondContact OD1-CA 3.48Å; D417-T419 WeakPolarHBondContact OD1-CB 3.13Å; D417-T419 PolarHBondContact OD1-N 2.83Å; D417-T419 PolarHBondContact OD1-OG1 3.44Å; T419-F432 HydrophobicContact CG2-CE2 4.25Å; T419-F432 HydrophobicContact CG2-CZ 3.89Å
420	A	93	Very high	94.8	Very high	28 Å²	28	43.7 Å²	43.7	23%	0.231	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-11.5	-179.5	0	0	0	0	0	113.5	E350 D417	E350-A420 HydrophobicContact CG-CB 3.81Å; D417-A420 HydrophobicContact CB-CB 4.23Å; D417-A420 PolarHBondContact O-N 3.15Å; D417-A420 PolarHBondContact OD1-N 3.2Å
421	N	94.8	Very high	94.7	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.021	25%	0.247	C	C	.	.	S	Bend	trans	-134.3	144.2	-174.6	-59.4	-90.9	0	0	0	111.5	K348 S349 E350 V364 A365 M416 D417 V423	K348-N421 CarbonylContact O-C 3.56Å; K348-N421 WeakPolarHBondContact O-CA 3.17Å; S349-N421 WeakPolarHBondContact CA-OD1 3.49Å; S349-N421 PolarHBondContact OG-OD1 3.32Å; E350-N421 PolarHBondContact N-OD1 2.62Å; E350-N421 PolarHBondContact OE2-ND2 2.89Å; V364-N421 WeakPolarHBondContact CA-OD1 3.45Å; V364-N421 WeakPolarHBondContact CB-OD1 3.25Å; A365-N421 HydrophobicContact CB-CB 4.2Å; A365-N421 PolarHBondContact N-OD1 3.01Å; M416-N421 HydrophobicContact CE-CB 3.18Å; M416-N421 HydrophobicContact CG-CB 4.3Å; D417-N421 PolarHBondContact O-N 3.46Å; D417-N421 PolarHBondContact O-ND2 3.3Å; N421-V423 PolarHBondContact O-N 2.97Å
422	D	93.3	Very high	94.6	Very high	48 Å²	48	45.1 Å²	45.1	26%	0.257	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-66.5	125.4	170.1	-79	-21.6	0	0	0	109.4	V347 K348 A365 M416	V347-D422 HydrophobicContact CG1-CB 3.92Å; K348-D422 HydrophobicContact CB-CB 4.29Å; K348-D422 VanDerWaalsContact CB-CG 3.47Å; K348-D422 WeakPolarHBondContact CB-OD1 3.4Å; K348-D422 WeakPolarHBondContact CB-OD2 3.43Å; K348-D422 PolarHBondContact N-OD2 3.08Å; K348-D422 PolarHBondContact O-N 3.36Å; A365-D422 WeakPolarHBondContact CB-O 3.42Å; M416-D422 WeakPolarHBondContact CE-O 3.48Å
423	V	94.4	Very high	94.6	Very high	45 Å²	45	43.9 Å²	43.9	27%	0.273	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-84.9	121.2	176.7	177.4	0	0	0	0	108.7	F383 A418 N421 V429	F383-V423 HydrophobicContact CD1-CG1 4.24Å; F383-V423 HydrophobicContact CD1-CG2 4.02Å; F383-V423 HydrophobicContact CE1-CB 4.48Å; F383-V423 HydrophobicContact CE1-CG1 3.68Å; F383-V423 HydrophobicContact CE1-CG2 4.12Å; F383-V423 HydrophobicContact CZ-CG1 3.96Å; A418-V423 HydrophobicContact CB-CG2 3.54Å; N421-V423 PolarHBondContact O-N 2.97Å; V423-V429 HydrophobicContact CG1-CG2 4.06Å; V423-V429 HydrophobicContact CG2-CG2 4.14Å
424	P	92	Very high	94.6	Very high	45 Å²	45	44.4 Å²	44.4	29%	0.292	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-69.6	156	-178.3	25.8	-30.9	0	0	0	112	F368 Y427	F368-P424 HydrophobicContact CB-CG 4.46Å; F368-P424 HydrophobicContact CD1-CG 3.33Å; F368-P424 HydrophobicContact CD2-CG 4.16Å; F368-P424 HydrophobicContact CE1-CG 3.43Å; F368-P424 VanDerWaalsContact CE1-CG 3.43Å; F368-P424 HydrophobicContact CE2-CG 4.23Å; F368-P424 HydrophobicContact CG-CG 3.71Å; F368-P424 HydrophobicContact CZ-CG 3.89Å; P424-Y427 HydrophobicContact CG-CD2 4.24Å; P424-Y427 VanDerWaalsContact O-CD2 3.32Å; P424-Y427 WeakPolarHBondContact O-CD2 3.26Å; P424-Y427 PolarHBondContact O-N 3.18Å
425	S	89.2	Confident	94.6	Very high	114 Å²	114	44.7 Å²	44.7	80%	0.797	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	144.5	163.5	-176.5	0	0	0	0	109.7
426	P	93.4	Very high	94.6	Very high	57 Å²	57	45.8 Å²	45.8	37%	0.37	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	cis	-97.6	14.5	6.8	38.4	-35.8	0	0	0	114.9	Q428 P446	P426-Q428 PolarHBondContact O-N 3.05Å; P426-P446 HydrophobicContact CG-CG 3.68Å
427	Y	95.8	Very high	94.6	Very high	14 Å²	14	46 Å²	46	6%	0.055	26%	0.255	C	S	.	.			trans	-70.8	129.5	-174.1	-55.1	-88.7	0	0	0	111.5	F368 V372 V381 F383 P424 Y436 V438 P446	F368-Y427 HydrophobicContact CE1-CD2 4.03Å; F368-Y427 AromaticContact CE1-CE2 3.4Å; F368-Y427 HydrophobicContact CE1-CE2 3.4Å; F368-Y427 VanDerWaalsContact CE1-CE2 3.4Å; F368-Y427 AromaticContact CE1-CZ 3.89Å; F368-Y427 AromaticContact CZ-CD2 3.81Å; F368-Y427 HydrophobicContact CZ-CD2 3.81Å; F368-Y427 HydrophobicContact CZ-CE1 4.34Å; F368-Y427 AromaticContact CZ-CE2 3.49Å; F368-Y427 HydrophobicContact CZ-CE2 3.49Å; F368-Y427 VanDerWaalsContact CZ-CE2 3.49Å; F368-Y427 HydrophobicContact CZ-CG 4.42Å; F368-Y427 AromaticContact CZ-CZ 3.78Å; V372-Y427 WeakPolarHBondContact CG1-OH 3.45Å; V381-Y427 HydrophobicContact CG1-CE1 4.13Å; F383-Y427 AromaticContact CE2-CD1 3.65Å; F383-Y427 HydrophobicContact CE2-CD1 3.65Å; F383-Y427 HydrophobicContact CE2-CE1 4.47Å; F383-Y427 AromaticContact CE2-CG 3.9Å; F383-Y427 HydrophobicContact CE2-CG 3.9Å; F383-Y427 AromaticContact CZ-CD1 3.78Å; F383-Y427 HydrophobicContact CZ-CD1 3.78Å; F383-Y427 HydrophobicContact CZ-CD2 4.3Å; F383-Y427 HydrophobicContact CZ-CE1 4.48Å; F383-Y427 AromaticContact CZ-CG 3.67Å; F383-Y427 HydrophobicContact CZ-CG 3.67Å; P424-Y427 HydrophobicContact CG-CD2 4.24Å; P424-Y427 VanDerWaalsContact O-CD2 3.32Å; P424-Y427 WeakPolarHBondContact O-CD2 3.26Å; P424-Y427 PolarHBondContact O-N 3.18Å; Y427-Y436 HydrophobicContact CD1-CD1 4.31Å; Y427-Y436 AromaticContact CD1-CD2 3.83Å; Y427-Y436 HydrophobicContact CD1-CD2 3.83Å; Y427-Y436 HydrophobicContact CD1-CE2 4.28Å; Y427-Y436 AromaticContact CD1-CG 3.83Å; Y427-Y436 HydrophobicContact CD1-CG 3.83Å; Y427-Y436 HydrophobicContact CE1-CG 4.23Å; Y427-V438 HydrophobicContact CE1-CG2 3.95Å; Y427-V438 WeakPolarHBondContact OH-CG2 3.33Å; Y427-P446 HydrophobicContact CD1-CB 4.18Å; Y427-P446 HydrophobicContact CD1-CG 4.1Å; Y427-P446 HydrophobicContact CE1-CB 3.53Å; Y427-P446 HydrophobicContact CE1-CG 3.76Å
428	Q	93.2	Very high	94.6	Very high	110 Å²	110	45 Å²	45	51%	0.514	25%	0.25	S	S	.	.			trans	-114.2	99.4	179.6	-66.1	-175.1	17.8	0	0	111.1	P426 R430	P426-Q428 PolarHBondContact O-N 3.05Å; Q428-R430 PolarHBondContact O-N 3.01Å
429	V	94	Very high	94.7	Very high	41 Å²	41	45 Å²	45	25%	0.248	25%	0.248	C	C	.	.			trans	-89	94.7	178.7	-176.9	0	0	0	0	109.7	F383 A418 V423 F432	F383-V429 HydrophobicContact CB-CG1 4.2Å; F383-V429 HydrophobicContact CB-CG2 3.61Å; F383-V429 HydrophobicContact CD1-CG2 4.01Å; F383-V429 HydrophobicContact CD2-CG2 3.75Å; F383-V429 HydrophobicContact CE2-CG2 4.41Å; F383-V429 HydrophobicContact CG-CG2 3.51Å; A418-V429 HydrophobicContact CB-CG1 4.37Å; A418-V429 HydrophobicContact CB-CG2 4.5Å; V423-V429 HydrophobicContact CG1-CG2 4.06Å; V423-V429 HydrophobicContact CG2-CG2 4.14Å; V429-F432 HydrophobicContact CG1-CD1 3.99Å; V429-F432 HydrophobicContact CG1-CE1 3.49Å; V429-F432 VanDerWaalsContact CG1-CE1 3.49Å; V429-F432 HydrophobicContact CG1-CZ 4.03Å
430	R	87.5	Confident	94.9	Very high	218 Å²	218	45.4 Å²	45.4	82%	0.823	25%	0.246	S	C	*	.			trans	-90.8	-12.3	178.6	-60.8	-176	-174.9	-172.1	2	113.6	Q428	Q428-R430 PolarHBondContact O-N 3.01Å
431	G	93.2	Very high	95.1	Very high	33 Å²	33	46.5 Å²	46.5	34%	0.34	26%	0.26	S	S	.	.	S	Bend	trans	-170.4	176.4	-178.8	0	0	0	0	0	111.1	T434	G431-T434 PolarHBondContact O-N 3.39Å; G431-T434 PolarHBondContact O-OG1 3.1Å
432	F	96.7	Very high	95.1	Very high	53 Å²	53	52.6 Å²	52.6	23%	0.232	29%	0.286	C	S	.	.	S	Bend	trans	-125.3	133.5	-174.8	-59.8	-71.3	0	0	0	112	H384 A385 W387 C388 A418 T419 V429	H384-F432 VanDerWaalsContact C-CD1 3.46Å; A385-F432 HydrophobicContact CB-CB 4.21Å; A385-F432 HydrophobicContact CB-CD1 3.9Å; A385-F432 HydrophobicContact CB-CD2 3.6Å; A385-F432 HydrophobicContact CB-CE1 4.1Å; A385-F432 HydrophobicContact CB-CE2 3.85Å; A385-F432 HydrophobicContact CB-CG 3.63Å; A385-F432 HydrophobicContact CB-CZ 4.09Å; W387-F432 AromaticContact CH2-CD2 3.79Å; W387-F432 HydrophobicContact CH2-CD2 3.79Å; W387-F432 HydrophobicContact CH2-CE2 4.06Å; W387-F432 AromaticContact CZ2-CD2 3.99Å; W387-F432 HydrophobicContact CZ2-CD2 3.99Å; W387-F432 AromaticContact CZ2-CE2 3.88Å; W387-F432 HydrophobicContact CZ2-CE2 3.88Å; C388-F432 HydrophobicContact CB-CB 3.99Å; C388-F432 PolarHBondContact SG-O 3.39Å; A418-F432 HydrophobicContact CB-CE1 3.8Å; A418-F432 HydrophobicContact CB-CZ 4.45Å; T419-F432 HydrophobicContact CG2-CE2 4.25Å; T419-F432 HydrophobicContact CG2-CZ 3.89Å; V429-F432 HydrophobicContact CG1-CD1 3.99Å; V429-F432 HydrophobicContact CG1-CE1 3.49Å; V429-F432 VanDerWaalsContact CG1-CE1 3.49Å; V429-F432 HydrophobicContact CG1-CZ 4.03Å
433	P	97.1	Very high	95.2	Very high	9 Å²	9	50.9 Å²	50.9	6%	0.058	28%	0.277	C	S	.	.	S	Bend	cis	-74.5	148.1	-8.5	30.9	-33	0	0	0	111.5	V382 F383 L394 I435	V382-P433 HydrophobicContact CG1-CB 4.17Å; F383-P433 WeakPolarHBondContact O-CA 3.33Å; L394-P433 HydrophobicContact CD2-CB 3.76Å; L394-P433 HydrophobicContact CD2-CG 3.61Å; P433-I435 HydrophobicContact CB-CG1 4.41Å
434	T	98.1	Very high	95.2	Very high	20 Å²	20	53.5 Å²	53.5	12%	0.123	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	134.2	162.4	-66.8	0	0	0	0	107.5	F383 G431 Y436	F383-T434 PolarHBondContact N-O 2.77Å; F383-T434 PolarHBondContact O-N 3.18Å; G431-T434 PolarHBondContact O-N 3.39Å; G431-T434 PolarHBondContact O-OG1 3.1Å; T434-Y436 HydrophobicContact CG2-CD2 3.92Å; T434-Y436 HydrophobicContact CG2-CE2 3.57Å
435	I	98.2	Very high	95.3	Very high	6 Å²	6	54.8 Å²	54.8	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.3	-172.5	-50.9	179.3	0	0	0	108.9	M380 V381 V382 L394 P433 Y449	M380-I435 HydrophobicContact CE-CG2 3.43Å; M380-I435 VanDerWaalsContact CE-CG2 3.43Å; M380-I435 HydrophobicContact CG-CG2 4.15Å; V381-I435 WeakPolarHBondContact O-CA 3.42Å; V382-I435 HydrophobicContact CG1-CG1 4.47Å; V382-I435 HydrophobicContact CG2-CD1 4.35Å; V382-I435 HydrophobicContact CG2-CG1 4.13Å; V382-I435 HydrophobicContact CG2-CG2 4.19Å; L394-I435 HydrophobicContact CD2-CD1 3.68Å; L394-I435 HydrophobicContact CD2-CG1 4.47Å; P433-I435 HydrophobicContact CB-CG1 4.41Å; I435-Y449 HydrophobicContact CB-CD1 4.1Å; I435-Y449 HydrophobicContact CB-CG 4.45Å; I435-Y449 HydrophobicContact CD1-CD1 3.96Å; I435-Y449 HydrophobicContact CD1-CE1 4.42Å; I435-Y449 HydrophobicContact CG2-CD1 4.02Å; I435-Y449 HydrophobicContact CG2-CG 4.15Å; I435-Y449 PolarHBondContact O-N 2.99Å
436	Y	98.5	Very high	95.7	Very high	29 Å²	29	50.5 Å²	50.5	11%	0.114	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	149	175.2	-81.3	-91.9	0	0	0	111.1	M380 V381 F383 Y427 T434 P446 V447	M380-Y436 CarbonylContact C-O 3.57Å; M380-Y436 WeakPolarHBondContact CA-O 3.33Å; V381-Y436 PolarHBondContact N-O 2.85Å; V381-Y436 PolarHBondContact O-N 3.17Å; F383-Y436 HydrophobicContact CD2-CD2 4.29Å; F383-Y436 AromaticContact CE2-CD2 3.97Å; F383-Y436 HydrophobicContact CE2-CD2 3.97Å; Y427-Y436 HydrophobicContact CD1-CD1 4.31Å; Y427-Y436 AromaticContact CD1-CD2 3.83Å; Y427-Y436 HydrophobicContact CD1-CD2 3.83Å; Y427-Y436 HydrophobicContact CD1-CE2 4.28Å; Y427-Y436 AromaticContact CD1-CG 3.83Å; Y427-Y436 HydrophobicContact CD1-CG 3.83Å; Y427-Y436 HydrophobicContact CE1-CG 4.23Å; T434-Y436 HydrophobicContact CG2-CD2 3.92Å; T434-Y436 HydrophobicContact CG2-CE2 3.57Å; Y436-P446 HydrophobicContact CD1-CB 3.71Å; Y436-P446 HydrophobicContact CD1-CG 4.17Å; Y436-P446 HydrophobicContact CE1-CB 4.36Å; Y436-P446 HydrophobicContact CE1-CG 4.36Å; Y436-P446 HydrophobicContact CG-CB 4.34Å; Y436-V447 CarbonylContact C-O 3.59Å; Y436-V447 WeakPolarHBondContact CA-O 3.32Å; Y436-V447 VanDerWaalsContact CD1-C 3.5Å; Y436-V447 WeakPolarHBondContact CD1-O 3.18Å
437	F	98.4	Very high	95.8	Very high	4 Å²	4	51 Å²	51	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.1	165.1	180	-113	0	0	0	109.6	D378 V379 M380 P439 V447 Y461 L462 E465	D378-F437 HydrophobicContact CB-CE2 3.81Å; D378-F437 HydrophobicContact CB-CZ 3.79Å; V379-F437 CarbonylContact O-C 3.56Å; M380-F437 HydrophobicContact CB-CD2 4.31Å; F437-P439 HydrophobicContact CD1-CG 3.99Å; F437-P439 HydrophobicContact CE1-CB 4.14Å; F437-P439 HydrophobicContact CE1-CG 3.78Å; F437-V447 PolarHBondContact N-O 3.01Å; F437-V447 PolarHBondContact O-N 2.78Å; F437-Y461 HydrophobicContact CB-CE1 3.78Å; F437-Y461 HydrophobicContact CD1-CE1 4.33Å; F437-Y461 HydrophobicContact CD2-CE1 4.49Å; F437-Y461 AromaticContact CG-CE1 3.96Å; F437-Y461 HydrophobicContact CG-CE1 3.96Å; F437-L462 HydrophobicContact CD2-CD2 3.79Å; F437-L462 HydrophobicContact CE2-CD2 3.75Å; F437-E465 HydrophobicContact CD1-CB 4.22Å; F437-E465 HydrophobicContact CE1-CB 3.97Å; F437-E465 WeakPolarHBondContact CE1-O 3.08Å
438	V	98.1	Very high	95.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	94.9	-171.7	-166.3	0	0	0	0	107.9	V372 V379 V381 Y427 K443 P446	V372-V438 HydrophobicContact CG1-CB 4.29Å; V372-V438 HydrophobicContact CG1-CG1 4.33Å; V372-V438 HydrophobicContact CG1-CG2 3.8Å; V379-V438 HydrophobicContact CB-CB 4.32Å; V379-V438 PolarHBondContact N-O 3.12Å; V379-V438 WeakPolarHBondContact O-CB 2.99Å; V379-V438 PolarHBondContact O-N 3.08Å; V381-V438 HydrophobicContact CG1-CG2 4.4Å; Y427-V438 HydrophobicContact CE1-CG2 3.95Å; Y427-V438 WeakPolarHBondContact OH-CG2 3.33Å; V438-K443 HydrophobicContact CG1-CD 3.63Å; V438-P446 HydrophobicContact CG2-CB 3.97Å
439	P	97.7	Very high	96.1	Very high	16 Å²	16	48.1 Å²	48.1	10%	0.104	27%	0.27	C	S	.	.			trans	-66.4	150.8	-173.6	-16.9	28.4	0	0	0	112.6	D378 F437 G441 K442	D378-P439 VanDerWaalsContact OD1-CA 3.25Å; D378-P439 WeakPolarHBondContact OD1-CA 3.5Å; F437-P439 HydrophobicContact CD1-CG 3.99Å; F437-P439 HydrophobicContact CE1-CB 4.14Å; F437-P439 HydrophobicContact CE1-CG 3.78Å; P439-G441 PolarHBondContact O-N 3.32Å; P439-K442 HydrophobicContact CB-CB 4.16Å; P439-K442 HydrophobicContact CB-CD 4.41Å; P439-K442 HydrophobicContact CG-CB 4.35Å; P439-K442 PolarHBondContact O-N 2.79Å
440	K	97.3	Very high	96	Very high	59 Å²	59	54 Å²	54	26%	0.257	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	130.9	165.9	-177.6	-178.9	176.7	169.9	0	109.8	E375 E376 K377 D378 K442 T467 E468	E375-K440 WeakPolarHBondContact O-CG 3.47Å; E376-K440 WeakPolarHBondContact O-CD 3.34Å; K377-K440 WeakPolarHBondContact O-CA 3.27Å; K377-K440 PolarHBondContact O-N 3.12Å; D378-K440 PolarHBondContact OD1-N 3.19Å; K440-K442 PolarHBondContact O-N 2.93Å; K440-T467 HydrophobicContact CB-CG2 4.1Å; K440-T467 HydrophobicContact CD-CG2 4.31Å; K440-T467 PolarHBondContact N-OG1 3.17Å; K440-E468 IonicContact NZ-OE1 3.09Å; K440-E468 PolarHBondContact NZ-OE1 3.34Å
441	G	95.6	Very high	96.3	Very high	52 Å²	52	45.3 Å²	45.3	54%	0.536	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.6	6.1	-178.2	0	0	0	0	0	116.8	E375 P439	E375-G441 PolarHBondContact O-N 2.84Å; E375-G441 VanDerWaalsContact OE2-CA 3.28Å; E375-G441 WeakPolarHBondContact OE2-CA 3.41Å; P439-G441 PolarHBondContact O-N 3.32Å
442	K	95.5	Very high	96.4	Very high	131 Å²	131	45.3 Å²	45.3	57%	0.57	27%	0.274	S	S	*	.			trans	-133.3	43.8	-177.8	-62.4	-175.6	-179.2	174.3	0	113.4	P439 K440 S444 S445	P439-K442 HydrophobicContact CB-CB 4.16Å; P439-K442 HydrophobicContact CB-CD 4.41Å; P439-K442 HydrophobicContact CG-CB 4.35Å; P439-K442 PolarHBondContact O-N 2.79Å; K440-K442 PolarHBondContact O-N 2.93Å; K442-S444 VanDerWaalsContact C-N 3.31Å; K442-S444 PolarHBondContact O-N 3.15Å; K442-S445 PolarHBondContact O-N 3.05Å; K442-S445 VanDerWaalsContact O-N 3.08Å
443	K	95.2	Very high	96.3	Very high	13 Å²	13	48 Å²	48	6%	0.057	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-28.1	-171.3	-55.4	-49.8	-172.4	165.9	0	115.2	V372 N373 N374 K377 V438 S445	V372-K443 PolarHBondContact O-NZ 2.91Å; N373-K443 HydrophobicContact CB-CB 4.27Å; N373-K443 HydrophobicContact CB-CG 4.31Å; N374-K443 WeakPolarHBondContact O-CE 3.3Å; N374-K443 PolarHBondContact O-NZ 2.03Å; K377-K443 PolarHBondContact O-NZ 2.87Å; V438-K443 HydrophobicContact CG1-CD 3.63Å; K443-S445 PolarHBondContact O-N 3.42Å
444	S	93.5	Very high	96.3	Very high	99 Å²	99	51.5 Å²	51.5	69%	0.692	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-9.3	175.4	62.2	0	0	0	0	114.3	K442 P446	K442-S444 VanDerWaalsContact C-N 3.31Å; K442-S444 PolarHBondContact O-N 3.15Å; S444-P446 VanDerWaalsContact C-CD 3.45Å
445	S	94.8	Very high	96.3	Very high	72 Å²	72	51 Å²	51	50%	0.503	30%	0.298	S	S	.	.	S	Bend	trans	-130.1	59.6	-170.4	-57.4	0	0	0	0	112	K442 K443	K442-S445 PolarHBondContact O-N 3.05Å; K442-S445 VanDerWaalsContact O-N 3.08Å; K443-S445 PolarHBondContact O-N 3.42Å
446	P	97	Very high	96.2	Very high	24 Å²	24	55.5 Å²	55.5	16%	0.156	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-64.6	141	178	32	-37.4	0	0	0	110.7	P426 Y427 Y436 V438 S444	P426-P446 HydrophobicContact CG-CG 3.68Å; Y427-P446 HydrophobicContact CD1-CB 4.18Å; Y427-P446 HydrophobicContact CD1-CG 4.1Å; Y427-P446 HydrophobicContact CE1-CB 3.53Å; Y427-P446 HydrophobicContact CE1-CG 3.76Å; Y436-P446 HydrophobicContact CD1-CB 3.71Å; Y436-P446 HydrophobicContact CD1-CG 4.17Å; Y436-P446 HydrophobicContact CE1-CB 4.36Å; Y436-P446 HydrophobicContact CE1-CG 4.36Å; Y436-P446 HydrophobicContact CG-CB 4.34Å; V438-P446 HydrophobicContact CG2-CB 3.97Å; S444-P446 VanDerWaalsContact C-CD 3.45Å
447	V	97.1	Very high	96.2	Very high	68 Å²	68	57 Å²	57	41%	0.412	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	126.1	-176.1	-176.6	0	0	0	0	109.5	Y436 F437	Y436-V447 CarbonylContact C-O 3.59Å; Y436-V447 WeakPolarHBondContact CA-O 3.32Å; Y436-V447 VanDerWaalsContact CD1-C 3.5Å; Y436-V447 WeakPolarHBondContact CD1-O 3.18Å; F437-V447 PolarHBondContact N-O 3.01Å; F437-V447 PolarHBondContact O-N 2.78Å
448	S	97	Very high	96.2	Very high	49 Å²	49	56.8 Å²	56.8	34%	0.343	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	134.5	175.7	-164.8	0	0	0	0	110.6	E450	S448-E450 WeakPolarHBondContact CB-OE1 3.24Å; S448-E450 PolarHBondContact OG-OE1 3.47Å
449	Y	97.3	Very high	96.2	Very high	14 Å²	14	57 Å²	57	6%	0.055	33%	0.331	C	S	.	.			trans	-94.9	113.2	175.1	174.7	-96.8	0	0	0	110.9	M380 I435 G451 G452 D457 Y461	M380-Y449 HydrophobicContact CE-CD1 4Å; M380-Y449 HydrophobicContact CE-CD2 4.02Å; M380-Y449 HydrophobicContact CE-CE1 4.27Å; M380-Y449 HydrophobicContact CE-CE2 4.3Å; M380-Y449 HydrophobicContact CE-CG 3.84Å; I435-Y449 HydrophobicContact CB-CD1 4.1Å; I435-Y449 HydrophobicContact CB-CG 4.45Å; I435-Y449 HydrophobicContact CD1-CD1 3.96Å; I435-Y449 HydrophobicContact CD1-CE1 4.42Å; I435-Y449 HydrophobicContact CG2-CD1 4.02Å; I435-Y449 HydrophobicContact CG2-CG 4.15Å; I435-Y449 PolarHBondContact O-N 2.99Å; Y449-G451 VanDerWaalsContact CZ-CA 3.43Å; Y449-G452 WeakPolarHBondContact CE1-O 3.38Å; Y449-G452 PolarHBondContact OH-N 2.83Å; Y449-G452 PolarHBondContact OH-O 3.4Å; Y449-D457 PolarHBondContact OH-O 3.21Å; Y449-Y461 AromaticContact CD2-CD1 3.69Å; Y449-Y461 HydrophobicContact CD2-CD1 3.69Å; Y449-Y461 AromaticContact CD2-CD2 3.57Å; Y449-Y461 HydrophobicContact CD2-CD2 3.57Å; Y449-Y461 AromaticContact CD2-CE1 3.8Å; Y449-Y461 HydrophobicContact CD2-CE1 3.8Å; Y449-Y461 AromaticContact CD2-CE2 3.66Å; Y449-Y461 HydrophobicContact CD2-CE2 3.66Å; Y449-Y461 AromaticContact CD2-CG 3.58Å; Y449-Y461 HydrophobicContact CD2-CG 3.58Å; Y449-Y461 AromaticContact CD2-CZ 3.78Å; Y449-Y461 AromaticContact CE2-CD1 3.84Å; Y449-Y461 HydrophobicContact CE2-CD1 3.84Å; Y449-Y461 AromaticContact CE2-CD2 3.51Å; Y449-Y461 HydrophobicContact CE2-CD2 3.51Å; Y449-Y461 HydrophobicContact CE2-CE1 4.4Å; Y449-Y461 HydrophobicContact CE2-CE2 4.1Å; Y449-Y461 AromaticContact CE2-CG 3.35Å; Y449-Y461 HydrophobicContact CE2-CG 3.35Å
450	E	92.9	Very high	96.2	Very high	164 Å²	164	61.2 Å²	61.2	77%	0.766	35%	0.348	S	S	*	.			trans	-108.7	13.4	-179.5	-55.3	-58.2	149.4	0	0	112.9	S448	S448-E450 WeakPolarHBondContact CB-OE1 3.24Å; S448-E450 PolarHBondContact OG-OE1 3.47Å
451	G	93.6	Very high	96.2	Very high	37 Å²	37	59.4 Å²	59.4	38%	0.381	34%	0.34	S	S	.	.	S	Bend	trans	-78.7	-175	-177	0	0	0	0	0	114.5	Y449	Y449-G451 VanDerWaalsContact CZ-CA 3.43Å
452	G	94.6	Very high	96.3	Very high	33 Å²	33	57 Å²	57	34%	0.34	31%	0.314	S	S	.	.			trans	-64.1	162.1	175.4	0	0	0	0	0	113	Y449 D457	Y449-G452 WeakPolarHBondContact CE1-O 3.38Å; Y449-G452 PolarHBondContact OH-N 2.83Å; Y449-G452 PolarHBondContact OH-O 3.4Å; G452-D457 WeakPolarHBondContact CA-OD2 3.42Å
453	R	94.9	Very high	96.4	Very high	110 Å²	110	50.8 Å²	50.8	42%	0.415	29%	0.288	S	S	.	.	S	Bend	trans	-108.9	16.6	-174.1	-68.3	-179.5	-177.5	171.2	-1.6	113	L394 K397	L394-R453 HydrophobicContact CD1-CB 4.02Å; L394-R453 HydrophobicContact CD1-CG 4.34Å; K397-R453 WeakPolarHBondContact CD-O 3.39Å
454	D	97.6	Very high	96.5	Very high	82 Å²	82	57 Å²	57	44%	0.439	31%	0.311	S	S	.	.	S	Bend	trans	-92.6	154.1	173.5	-69.7	-39	0	0	0	111.7	K397 N456 D457 I458	K397-D454 IonicContact NZ-OD1 3.39Å; K397-D454 PolarHBondContact NZ-OD1 3.11Å; D454-N456 PolarHBondContact O-N 3.26Å; D454-N456 VanDerWaalsContact O-N 3.12Å; D454-D457 PolarHBondContact N-OD2 3.26Å; D454-D457 WeakPolarHBondContact O-CB 3.4Å; D454-D457 PolarHBondContact O-N 3.18Å; D454-I458 PolarHBondContact O-N 3.03Å
455	T	97.7	Very high	96.7	Very high	10 Å²	10	56.1 Å²	56.1	6%	0.061	30%	0.296	C	S	.	.	H	α-helix	trans	-48	-43.9	-178.8	-51	0	0	0	0	112.2	K397 E400 A401 K404 I459	K397-T455 PolarHBondContact O-OG1 3.26Å; E400-T455 HydrophobicContact CB-CG2 4Å; E400-T455 HydrophobicContact CG-CG2 3.95Å; E400-T455 PolarHBondContact OE2-OG1 3.25Å; A401-T455 HydrophobicContact CB-CG2 3.99Å; K404-T455 HydrophobicContact CD-CG2 4.35Å; T455-I459 HydrophobicContact CG2-CD1 4.06Å; T455-I459 WeakPolarHBondContact O-CG1 3.36Å; T455-I459 PolarHBondContact O-N 3.02Å; T455-I459 VanDerWaalsContact O-N 3.11Å
456	N	96.9	Very high	96.8	Very high	99 Å²	99	52.9 Å²	52.9	53%	0.529	27%	0.273	S	S	.	.	H	α-helix	trans	-72.3	-31.5	-178.6	-70.1	-21.2	0	0	0	113.3	D454 I458 K460	D454-N456 PolarHBondContact O-N 3.26Å; D454-N456 VanDerWaalsContact O-N 3.12Å; N456-I458 VanDerWaalsContact C-N 3.34Å; N456-K460 WeakPolarHBondContact O-CB 3.29Å; N456-K460 VanDerWaalsContact O-CG 3.24Å; N456-K460 WeakPolarHBondContact O-CG 3.1Å; N456-K460 PolarHBondContact O-N 2.92Å
457	D	97.6	Very high	96.8	Very high	60 Å²	60	54.8 Å²	54.8	32%	0.321	29%	0.285	S	S	.	.	H	α-helix	trans	-68.8	-38.7	177.6	-62.7	-40.7	0	0	0	110.9	Y449 G452 D454 Y461	Y449-D457 PolarHBondContact OH-O 3.21Å; G452-D457 WeakPolarHBondContact CA-OD2 3.42Å; D454-D457 PolarHBondContact N-OD2 3.26Å; D454-D457 WeakPolarHBondContact O-CB 3.4Å; D454-D457 PolarHBondContact O-N 3.18Å; D457-Y461 WeakPolarHBondContact O-CB 3.47Å; D457-Y461 PolarHBondContact O-N 3.03Å
458	I	98.1	Very high	96.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-64	-50.8	174.8	-65.9	155.3	0	0	0	109.9	M380 L394 Y398 A401 L413 D454 N456 K460 Y461 L462	M380-I458 HydrophobicContact CE-CG2 4.22Å; M380-I458 HydrophobicContact SD-CG2 3.92Å; L394-I458 HydrophobicContact CD1-CD1 4.29Å; Y398-I458 HydrophobicContact CD2-CD1 3.87Å; Y398-I458 HydrophobicContact CD2-CG2 4.47Å; Y398-I458 HydrophobicContact CE2-CG2 4.34Å; A401-I458 HydrophobicContact CB-CB 4.29Å; A401-I458 HydrophobicContact CB-CG2 3.91Å; L413-I458 HydrophobicContact CD2-CG2 4.38Å; D454-I458 PolarHBondContact O-N 3.03Å; N456-I458 VanDerWaalsContact C-N 3.34Å; I458-K460 PolarHBondContact O-N 3.44Å; I458-Y461 PolarHBondContact O-N 3.13Å; I458-L462 HydrophobicContact CG2-CD1 3.77Å; I458-L462 HydrophobicContact CG2-CG 4.48Å; I458-L462 WeakPolarHBondContact O-CG 3.48Å; I458-L462 PolarHBondContact O-N 2.93Å
459	I	97.8	Very high	96.6	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-60.3	-45.9	179	-69	168.7	0	0	0	111.2	A401 K404 L405 T455 Y461 L462 A463 Y473	A401-I459 HydrophobicContact CB-CG1 4.3Å; K404-I459 HydrophobicContact CB-CD1 4.28Å; K404-I459 HydrophobicContact CD-CD1 3.77Å; L405-I459 HydrophobicContact CD1-CG1 4.12Å; L405-I459 HydrophobicContact CG-CG1 4.43Å; T455-I459 HydrophobicContact CG2-CD1 4.06Å; T455-I459 WeakPolarHBondContact O-CG1 3.36Å; T455-I459 PolarHBondContact O-N 3.02Å; T455-I459 VanDerWaalsContact O-N 3.11Å; I459-Y461 VanDerWaalsContact C-N 3.33Å; I459-Y461 PolarHBondContact O-N 3.36Å; I459-L462 PolarHBondContact O-N 3.21Å; I459-A463 VanDerWaalsContact O-CB 3.3Å; I459-A463 WeakPolarHBondContact O-CB 3.39Å; I459-A463 PolarHBondContact O-N 3.39Å; I459-Y473 HydrophobicContact CG2-CD1 3.67Å; I459-Y473 HydrophobicContact CG2-CD2 4.36Å; I459-Y473 HydrophobicContact CG2-CE1 3.58Å; I459-Y473 HydrophobicContact CG2-CE2 4.3Å; I459-Y473 HydrophobicContact CG2-CG 4.07Å
460	K	97.7	Very high	96.6	Very high	106 Å²	106	57.8 Å²	57.8	46%	0.461	29%	0.29	S	S	.	.	H	α-helix	trans	-61.4	-41.2	178.5	-77.6	177.6	176.6	-179.8	0	112.5	N456 I458 R464	N456-K460 WeakPolarHBondContact O-CB 3.29Å; N456-K460 VanDerWaalsContact O-CG 3.24Å; N456-K460 WeakPolarHBondContact O-CG 3.1Å; N456-K460 PolarHBondContact O-N 2.92Å; I458-K460 PolarHBondContact O-N 3.44Å; K460-R464 WeakPolarHBondContact O-CB 3.36Å; K460-R464 VanDerWaalsContact O-N 3.13Å; K460-R464 PolarHBondContact O-N 3.13Å
461	Y	98.3	Very high	96.7	Very high	21 Å²	21	55.4 Å²	55.4	8%	0.082	28%	0.281	C	S	.	.	H	α-helix	trans	-62.9	-50.3	175.1	178	-89.9	0	0	0	111.1	F437 Y449 D457 I458 I459 A463 R464 E465	F437-Y461 HydrophobicContact CB-CE1 3.78Å; F437-Y461 HydrophobicContact CD1-CE1 4.33Å; F437-Y461 HydrophobicContact CD2-CE1 4.49Å; F437-Y461 AromaticContact CG-CE1 3.96Å; F437-Y461 HydrophobicContact CG-CE1 3.96Å; Y449-Y461 AromaticContact CD2-CD1 3.69Å; Y449-Y461 HydrophobicContact CD2-CD1 3.69Å; Y449-Y461 AromaticContact CD2-CD2 3.57Å; Y449-Y461 HydrophobicContact CD2-CD2 3.57Å; Y449-Y461 AromaticContact CD2-CE1 3.8Å; Y449-Y461 HydrophobicContact CD2-CE1 3.8Å; Y449-Y461 AromaticContact CD2-CE2 3.66Å; Y449-Y461 HydrophobicContact CD2-CE2 3.66Å; Y449-Y461 AromaticContact CD2-CG 3.58Å; Y449-Y461 HydrophobicContact CD2-CG 3.58Å; Y449-Y461 AromaticContact CD2-CZ 3.78Å; Y449-Y461 AromaticContact CE2-CD1 3.84Å; Y449-Y461 HydrophobicContact CE2-CD1 3.84Å; Y449-Y461 AromaticContact CE2-CD2 3.51Å; Y449-Y461 HydrophobicContact CE2-CD2 3.51Å; Y449-Y461 HydrophobicContact CE2-CE1 4.4Å; Y449-Y461 HydrophobicContact CE2-CE2 4.1Å; Y449-Y461 AromaticContact CE2-CG 3.35Å; Y449-Y461 HydrophobicContact CE2-CG 3.35Å; D457-Y461 WeakPolarHBondContact O-CB 3.47Å; D457-Y461 PolarHBondContact O-N 3.03Å; I458-Y461 PolarHBondContact O-N 3.13Å; I459-Y461 VanDerWaalsContact C-N 3.33Å; I459-Y461 PolarHBondContact O-N 3.36Å; Y461-A463 PolarHBondContact O-N 2.67Å; Y461-A463 VanDerWaalsContact C-N 3.34Å; Y461-R464 VanDerWaalsContact O-N 3.14Å; Y461-R464 PolarHBondContact O-N 2.87Å; Y461-E465 WeakPolarHBondContact O-CG 3.47Å; Y461-E465 PolarHBondContact O-N 3.19Å; Y461-E465 WeakPolarHBondContact O-CB 3.09Å; Y461-E465 HydrophobicContact CG-CG 4.18Å; Y461-E465 HydrophobicContact CE2-CG 3.64Å; Y461-E465 HydrophobicContact CE1-CG 3.88Å; Y461-E465 HydrophobicContact CE1-CB 4.15Å; Y461-E465 HydrophobicContact CD2-CG 3.92Å; Y461-E465 HydrophobicContact CD1-CG 4.17Å
462	L	98.1	Very high	96.7	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.3	-41.5	-179.5	-70	171	0	0	0	112	M380 L405 L411 L413 F437 I458 I459 R464 E465 A466	M380-L462 HydrophobicContact CB-CD2 4.12Å; M380-L462 HydrophobicContact CG-CD2 4.49Å; M380-L462 HydrophobicContact SD-CD1 3.91Å; M380-L462 HydrophobicContact SD-CD2 3.79Å; M380-L462 HydrophobicContact SD-CG 3.98Å; L405-L462 HydrophobicContact CD1-CD1 3.61Å; L411-L462 HydrophobicContact CD1-CD2 4.01Å; L411-L462 HydrophobicContact CD2-CB 4.44Å; L411-L462 HydrophobicContact CD2-CD1 4.24Å; L413-L462 HydrophobicContact CD1-CD1 3.91Å; L413-L462 HydrophobicContact CD2-CD1 4.21Å; L413-L462 HydrophobicContact CG-CD1 4.34Å; F437-L462 HydrophobicContact CD2-CD2 3.79Å; F437-L462 HydrophobicContact CE2-CD2 3.75Å; I458-L462 HydrophobicContact CG2-CD1 3.77Å; I458-L462 HydrophobicContact CG2-CG 4.48Å; I458-L462 WeakPolarHBondContact O-CG 3.48Å; I458-L462 PolarHBondContact O-N 2.93Å; I459-L462 PolarHBondContact O-N 3.21Å; L462-R464 VanDerWaalsContact C-N 3.26Å; L462-R464 PolarHBondContact O-N 2.78Å; L462-E465 PolarHBondContact O-N 2.58Å; L462-A466 WeakPolarHBondContact O-CA 3.33Å; L462-A466 WeakPolarHBondContact O-CB 3.43Å; L462-A466 PolarHBondContact O-N 3.31Å
463	A	97.5	Very high	96.7	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-62.1	-36.1	176.7	0	0	0	0	0	112.5	I459 Y461 L470 D474 R475	I459-A463 VanDerWaalsContact O-CB 3.3Å; I459-A463 WeakPolarHBondContact O-CB 3.39Å; I459-A463 PolarHBondContact O-N 3.39Å; Y461-A463 PolarHBondContact O-N 2.67Å; Y461-A463 VanDerWaalsContact C-N 3.34Å; A463-L470 HydrophobicContact CB-CD1 3.87Å; A463-D474 WeakPolarHBondContact CB-O 3.42Å; A463-D474 VanDerWaalsContact CB-O 3.29Å; A463-R475 WeakPolarHBondContact O-CD 3.34Å; A463-R475 PolarHBondContact O-NH1 3.19Å
464	R	97.2	Very high	96.7	Very high	144 Å²	144	52 Å²	52	54%	0.543	26%	0.259	S	S	.	.	H	α-helix	trans	-74.3	-45.3	177	-172.8	178.8	69.2	-141.7	-2	112.9	K460 Y461 L462 R475	K460-R464 WeakPolarHBondContact O-CB 3.36Å; K460-R464 VanDerWaalsContact O-N 3.13Å; K460-R464 PolarHBondContact O-N 3.13Å; Y461-R464 VanDerWaalsContact O-N 3.14Å; Y461-R464 PolarHBondContact O-N 2.87Å; L462-R464 VanDerWaalsContact C-N 3.26Å; L462-R464 PolarHBondContact O-N 2.78Å; R464-R475 PolarHBondContact O-NH1 3.05Å
465	E	97.2	Very high	96.7	Very high	80 Å²	80	52.5 Å²	52.5	37%	0.374	26%	0.255	S	S	.	.	H	α-helix	trans	-96.3	-16.5	-168.4	-56.3	-62.8	155.4	0	0	114.4	F437 Y461 L462 T467	F437-E465 HydrophobicContact CD1-CB 4.22Å; F437-E465 HydrophobicContact CE1-CB 3.97Å; F437-E465 WeakPolarHBondContact CE1-O 3.08Å; Y461-E465 WeakPolarHBondContact O-CG 3.47Å; Y461-E465 PolarHBondContact O-N 3.19Å; Y461-E465 WeakPolarHBondContact O-CB 3.09Å; Y461-E465 HydrophobicContact CG-CG 4.18Å; Y461-E465 HydrophobicContact CE2-CG 3.64Å; Y461-E465 HydrophobicContact CE1-CG 3.88Å; Y461-E465 HydrophobicContact CE1-CB 4.15Å; Y461-E465 HydrophobicContact CD2-CG 3.92Å; Y461-E465 HydrophobicContact CD1-CG 4.17Å; L462-E465 PolarHBondContact O-N 2.58Å; E465-T467 PolarHBondContact O-N 2.84Å
466	A	97.1	Very high	96.5	Very high	4 Å²	4	56 Å²	56	3%	0.033	28%	0.279	C	S	.	.			trans	-53.4	140.7	177.8	0	0	0	0	0	111	L462 E468 L470 R475	L462-A466 WeakPolarHBondContact O-CA 3.33Å; L462-A466 WeakPolarHBondContact O-CB 3.43Å; L462-A466 PolarHBondContact O-N 3.31Å; A466-E468 PolarHBondContact O-N 3.21Å; A466-E468 WeakPolarHBondContact CB-O 3.48Å; A466-E468 VanDerWaalsContact CB-O 3.25Å; A466-E468 VanDerWaalsContact C-N 3.25Å; A466-L470 HydrophobicContact CB-CD2 3.85Å; A466-L470 HydrophobicContact CB-CG 4.39Å; A466-R475 VanDerWaalsContact O-CZ 3.3Å; A466-R475 PolarHBondContact O-NH1 3.19Å; A466-R475 PolarHBondContact O-NH2 3.38Å
467	T	96.7	Very high	96.4	Very high	65 Å²	65	51.6 Å²	51.6	40%	0.399	26%	0.258	S	S	.	.	S	Bend	trans	-61	-41.5	-176.9	-61.4	0	0	0	0	110.4	D378 K440 E465 R475	D378-T467 WeakPolarHBondContact OD1-CB 3.22Å; D378-T467 PolarHBondContact OD1-OG1 3.16Å; D378-T467 WeakPolarHBondContact OD2-CB 3.5Å; D378-T467 PolarHBondContact OD2-N 3.3Å; K440-T467 HydrophobicContact CB-CG2 4.1Å; K440-T467 HydrophobicContact CD-CG2 4.31Å; K440-T467 PolarHBondContact N-OG1 3.17Å; E465-T467 PolarHBondContact O-N 2.84Å; T467-R475 PolarHBondContact O-NH2 3.41Å
468	E	94.8	Very high	96.2	Very high	91 Å²	91	52.6 Å²	52.6	43%	0.425	26%	0.263	S	S	.	.	S	Bend	trans	-107.2	151	172	-69.4	167.6	-159	0	0	109.9	N410 K440 A466 L470 R475	N410-E468 PolarHBondContact ND2-OE2 3.22Å; K440-E468 IonicContact NZ-OE1 3.09Å; K440-E468 PolarHBondContact NZ-OE1 3.34Å; A466-E468 PolarHBondContact O-N 3.21Å; A466-E468 WeakPolarHBondContact CB-O 3.48Å; A466-E468 VanDerWaalsContact CB-O 3.25Å; A466-E468 VanDerWaalsContact C-N 3.25Å; E468-L470 PolarHBondContact O-N 3.37Å; E468-R475 VanDerWaalsContact C-NH2 3.3Å
469	E	95.4	Very high	96	Very high	95 Å²	95	57.1 Å²	57.1	44%	0.444	29%	0.293	S	S	.	.			trans	-67.6	131.7	176.2	-169.8	-178.5	164.4	0	0	109.7	R475 K480	E469-R475 HydrophobicContact CG-CG 4.11Å; E469-K480 IonicContact OE1-NZ 2.68Å; E469-K480 PolarHBondContact OE1-NZ 3.09Å; E469-K480 IonicContact OE2-NZ 3.58Å; E469-K480 WeakPolarHBondContact OE1-CE 3.26Å
470	L	96.3	Very high	95.7	Very high	7 Å²	7	60.9 Å²	60.9	4%	0.037	31%	0.309	C	S	.	.			trans	-59.7	143.2	179.9	-58.4	-174.9	0	0	0	110.9	L405 E408 L411 A463 A466 E468 Y473 K480	L405-L470 HydrophobicContact CD2-CD1 3.9Å; E408-L470 HydrophobicContact CG-CD2 4.18Å; E408-L470 WeakPolarHBondContact OE2-CA 3.42Å; L411-L470 HydrophobicContact CD2-CD2 3.96Å; A463-L470 HydrophobicContact CB-CD1 3.87Å; A466-L470 HydrophobicContact CB-CD2 3.85Å; A466-L470 HydrophobicContact CB-CG 4.39Å; E468-L470 PolarHBondContact O-N 3.37Å; L470-Y473 HydrophobicContact CD1-CD2 4.42Å; L470-K480 PolarHBondContact O-NZ 2.98Å
471	I	94.9	Very high	94.7	Very high	115 Å²	115	65.4 Å²	65.4	59%	0.59	33%	0.329	S	S	*	.	S	Bend	trans	-65.5	-41.9	179.3	-61	179.4	0	0	0	110.2	E408 P409 K480	E408-I471 VanDerWaalsContact CD-N 3.32Å; E408-I471 PolarHBondContact OE1-N 3.28Å; E408-I471 VanDerWaalsContact OE1-N 3.14Å; E408-I471 PolarHBondContact OE2-N 3.32Å; P409-I471 VanDerWaalsContact CD-CD1 3.44Å; P409-I471 HydrophobicContact CG-CD1 3.92Å; I471-K480 VanDerWaalsContact O-CD 3.25Å; I471-K480 WeakPolarHBondContact O-CD 3.27Å
472	G	93.7	Very high	93.1	Very high	28 Å²	28	69.1 Å²	69.1	29%	0.289	36%	0.358	S	S	.	.	S	Bend	trans	-88.1	-13.4	-175.9	0	0	0	0	0	115.2	E408 P479 K480	E408-G472 PolarHBondContact OE1-N 3.14Å; G472-P479 CarbonylContact O-C 3.59Å; G472-P479 WeakPolarHBondContact O-CA 3.23Å; G472-K480 PolarHBondContact O-N 3.33Å
473	Y	95.5	Very high	91.1	Very high	30 Å²	30	78.4 Å²	78.4	12%	0.118	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-137.9	141.5	-170.7	-62.9	-92.4	0	0	0	112.4	L405 I459 L470 N478 P479 K480	L405-Y473 HydrophobicContact CD2-CD2 3.81Å; L405-Y473 HydrophobicContact CD2-CE2 3.65Å; I459-Y473 HydrophobicContact CG2-CD1 3.67Å; I459-Y473 HydrophobicContact CG2-CD2 4.36Å; I459-Y473 HydrophobicContact CG2-CE1 3.58Å; I459-Y473 HydrophobicContact CG2-CE2 4.3Å; I459-Y473 HydrophobicContact CG2-CG 4.07Å; L470-Y473 HydrophobicContact CD1-CD2 4.42Å; Y473-N478 VanDerWaalsContact CA-O 3.29Å; Y473-N478 WeakPolarHBondContact CA-O 3.38Å; Y473-N478 CarbonylContact C-O 3.59Å; Y473-P479 HydrophobicContact CD1-CG 4.3Å; Y473-P479 HydrophobicContact CE1-CB 4.39Å; Y473-P479 HydrophobicContact CE1-CG 3.89Å; Y473-K480 VanDerWaalsContact O-CE 3.24Å; Y473-K480 WeakPolarHBondContact O-CE 3.3Å; Y473-K480 PolarHBondContact O-NZ 2.7Å
474	D	95.4	Very high	88.2	Confident	51 Å²	51	89.7 Å²	89.7	27%	0.273	46%	0.46	S	S	.	.			trans	-72.7	168.7	169.2	72.2	16.7	0	0	0	111.4	A463 S476 G477 N478	A463-D474 WeakPolarHBondContact CB-O 3.42Å; A463-D474 VanDerWaalsContact CB-O 3.29Å; D474-S476 PolarHBondContact O-N 3.3Å; D474-S476 PolarHBondContact OD1-N 3.16Å; D474-S476 WeakPolarHBondContact OD1-CB 3.32Å; D474-S476 VanDerWaalsContact OD1-CB 3.27Å; D474-S476 WeakPolarHBondContact OD1-CA 3.29Å; D474-S476 VanDerWaalsContact OD1-CA 3.25Å; D474-S476 VanDerWaalsContact OD1-C 3.31Å; D474-G477 PolarHBondContact O-N 2.87Å; D474-G477 PolarHBondContact OD1-N 2.91Å; D474-N478 PolarHBondContact N-O 3.32Å; D474-N478 PolarHBondContact OD1-N 3.01Å; D474-N478 PolarHBondContact OD1-ND2 3.09Å; D474-N478 WeakPolarHBondContact OD2-CB 3.4Å; D474-N478 PolarHBondContact OD2-ND2 3.12Å; D474-N478 VanDerWaalsContact OD2-ND2 3.1Å
475	R	96.2	Very high	87.8	Confident	92 Å²	92	87 Å²	87	35%	0.347	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-8.8	177.7	-68	-58.3	-166	169.5	4.2	115.2	A463 R464 A466 T467 E468 E469	A463-R475 WeakPolarHBondContact O-CD 3.34Å; A463-R475 PolarHBondContact O-NH1 3.19Å; R464-R475 PolarHBondContact O-NH1 3.05Å; A466-R475 VanDerWaalsContact O-CZ 3.3Å; A466-R475 PolarHBondContact O-NH1 3.19Å; A466-R475 PolarHBondContact O-NH2 3.38Å; T467-R475 PolarHBondContact O-NH2 3.41Å; E468-R475 VanDerWaalsContact C-NH2 3.3Å; E469-R475 HydrophobicContact CG-CG 4.11Å
476	S	94.7	Very high	87.3	Confident	82 Å²	82	87.4 Å²	87.4	57%	0.573	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-2.8	173.4	-58.1	0	0	0	0	112.8	D474	D474-S476 PolarHBondContact O-N 3.3Å; D474-S476 PolarHBondContact OD1-N 3.16Å; D474-S476 WeakPolarHBondContact OD1-CB 3.32Å; D474-S476 VanDerWaalsContact OD1-CB 3.27Å; D474-S476 WeakPolarHBondContact OD1-CA 3.29Å; D474-S476 VanDerWaalsContact OD1-CA 3.25Å; D474-S476 VanDerWaalsContact OD1-C 3.31Å
477	G	93.5	Very high	86.7	Confident	8 Å²	8	92 Å²	92	8%	0.082	48%	0.484	C	S	.	.	S	Bend	trans	79.8	17.7	-177.9	0	0	0	0	0	114.3	D474	D474-G477 PolarHBondContact O-N 2.87Å; D474-G477 PolarHBondContact OD1-N 2.91Å
478	N	93.9	Very high	86.1	Confident	80 Å²	80	93.6 Å²	93.6	43%	0.428	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-86.9	140	172.6	-51.4	-60.7	0	0	0	109.9	Y473 D474 K480	Y473-N478 VanDerWaalsContact CA-O 3.29Å; Y473-N478 WeakPolarHBondContact CA-O 3.38Å; Y473-N478 CarbonylContact C-O 3.59Å; D474-N478 PolarHBondContact N-O 3.32Å; D474-N478 PolarHBondContact OD1-N 3.01Å; D474-N478 PolarHBondContact OD1-ND2 3.09Å; D474-N478 WeakPolarHBondContact OD2-CB 3.4Å; D474-N478 PolarHBondContact OD2-ND2 3.12Å; D474-N478 VanDerWaalsContact OD2-ND2 3.1Å; N478-K480 PolarHBondContact O-N 2.92Å
479	P	93.1	Very high	85.6	Confident	96 Å²	96	93.8 Å²	93.8	62%	0.623	49%	0.493	S	S	*	.	B	Isolated β-bridge	trans	-57	129.7	174.3	-23.3	32.6	0	0	0	111.7	G472 Y473	G472-P479 CarbonylContact O-C 3.59Å; G472-P479 WeakPolarHBondContact O-CA 3.23Å; Y473-P479 HydrophobicContact CD1-CG 4.3Å; Y473-P479 HydrophobicContact CE1-CB 4.39Å; Y473-P479 HydrophobicContact CE1-CG 3.89Å
480	K	91.5	Very high	85	Confident	83 Å²	83	93.7 Å²	93.7	36%	0.361	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-67.7	136	169.4	-74.2	170	173	171.4	0	108.4	E469 L470 I471 G472 Y473 N478 S482	E469-K480 IonicContact OE1-NZ 2.68Å; E469-K480 PolarHBondContact OE1-NZ 3.09Å; E469-K480 IonicContact OE2-NZ 3.58Å; E469-K480 WeakPolarHBondContact OE1-CE 3.26Å; L470-K480 PolarHBondContact O-NZ 2.98Å; I471-K480 VanDerWaalsContact O-CD 3.25Å; I471-K480 WeakPolarHBondContact O-CD 3.27Å; G472-K480 PolarHBondContact O-N 3.33Å; Y473-K480 VanDerWaalsContact O-CE 3.24Å; Y473-K480 WeakPolarHBondContact O-CE 3.3Å; Y473-K480 PolarHBondContact O-NZ 2.7Å; N478-K480 PolarHBondContact O-N 2.92Å; K480-S482 PolarHBondContact O-N 3.16Å
481	K	78.5	Confident	84.1	Confident	201 Å²	201	99.9 Å²	99.9	87%	0.874	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-64.3	122.9	173	-67.6	-176.5	179.8	179.9	0	107.5	E483	K481-E483 PolarHBondContact O-N 3.06Å
482	S	64	Low	83.3	Confident	99 Å²	99	98.7 Å²	98.7	69%	0.692	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-59.4	121.3	167	57	0	0	0	0	107.7	K480 L484	K480-S482 PolarHBondContact O-N 3.16Å; S482-L484 PolarHBondContact O-N 3.37Å; S482-L484 VanDerWaalsContact O-N 3.11Å
483	E	56.2	Low	82.5	Confident	195 Å²	195	104.6 Å²	104.6	91%	0.911	54%	0.544	S	S	*	.			trans	-61.1	114.8	162.4	-66.4	-169.3	163.2	0	0	106.2	K481	K481-E483 PolarHBondContact O-N 3.06Å
484	L	36.9	Very low	81.3	Confident	238 Å²	238	111.4 Å²	111.4	100%	1.246	58%	0.583	S	S	*	*			trans	-62	0	-178.5	-87.8	163.9	0	0	0	111.9	S482	S482-L484 PolarHBondContact O-N 3.37Å; S482-L484 VanDerWaalsContact O-N 3.11Å

Retrieved 484 of 484 residues in 144.4 ms (Link to these results)

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