A0A5K4F3C3_SCHMA Loading...

dual-specificity kinase

AlphaFold DB , UniProt , Accession A0A5K4F3C3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 505 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	31.8	Very low	36.9	Very low	240 Å²	240	161.9 Å²	161.9	100%	1.182	86%	0.863	S	S	*	*				0	125.7	0	-91.6	-179.6	136.1	0	0	107.2
2	V	35.7	Very low	37.1	Very low	127 Å²	127	166.5 Å²	166.5	77%	0.77	86%	0.862	S	S	*	*			trans	79.7	90.1	178.5	-160.2	0	0	0	0	115.4
3	D	35.2	Very low	37.2	Very low	153 Å²	153	171.1 Å²	171.1	82%	0.818	86%	0.864	S	S	*	*				67.6	92.4	129.8	-52.2	-12.3	0	0	0	120.1
4	S	34.6	Very low	37.8	Very low	121 Å²	121	169.1 Å²	169.1	85%	0.846	86%	0.855	S	S	*	*			trans	-145.3	43.2	153.3	52.4	0	0	0	0	112.3
5	E	36.8	Very low	38.3	Very low	189 Å²	189	166.8 Å²	166.8	88%	0.883	85%	0.846	S	S	*	*			trans	-140.8	77.7	170.9	-73.3	-171.1	165.7	0	0	110.4
6	N	38.2	Very low	39	Very low	160 Å²	160	167.3 Å²	167.3	86%	0.856	84%	0.841	S	S	*	*			trans	-144.6	45.7	168.2	-127.6	4.6	0	0	0	112.2
7	S	37.6	Very low	39.8	Very low	124 Å²	124	164.3 Å²	164.3	87%	0.867	83%	0.833	S	S	*	*			trans	-124.1	16.9	-179.8	-178.5	0	0	0	0	113.9
8	A	42	Very low	40.7	Very low	91 Å²	91	157.4 Å²	157.4	75%	0.752	80%	0.801	S	S	*	*			trans	-110.1	-2.7	-178	0	0	0	0	0	115.2	R10	A8-R10 PolarHBondContact O-N 3.45Å
9	D	40.8	Very low	41.9	Very low	153 Å²	153	153.9 Å²	153.9	82%	0.818	79%	0.789	S	S	*	*	S	Bend	trans	-91.9	23.8	-171.9	-91.2	-2.8	0	0	0	115.9
10	R	36.2	Very low	42.9	Very low	236 Å²	236	150.3 Å²	150.3	89%	0.891	77%	0.771	S	S	*	*			trans	-135.4	79.7	173.8	-68.2	-169.6	-166.2	-175.7	5.1	111.9	A8	A8-R10 PolarHBondContact O-N 3.45Å
11	K	36.8	Very low	43.9	Very low	187 Å²	187	146.8 Å²	146.8	81%	0.813	76%	0.76	S	S	*	*			trans	-167.1	47.5	162.2	-111.6	164.9	-165	-172	0	115.9
12	Y	39.8	Very low	45.3	Very low	217 Å²	217	137 Å²	137	85%	0.851	72%	0.717	S	S	*	*			trans	-145.1	54.6	159.1	-65.4	-75.9	0	0	0	111.7
13	Y	38.7	Very low	46.7	Very low	226 Å²	226	134 Å²	134	89%	0.886	69%	0.694	S	S	*	*			trans	-92.5	92.3	148.4	-96	-93.3	0	0	0	105.4	D15	Y13-D15 PolarHBondContact O-N 3.47Å
14	I	45	Very low	48	Very low	144 Å²	144	126.8 Å²	126.8	74%	0.738	66%	0.656	S	S	*	*			trans	-82.6	105.4	161.8	-45.5	174.5	0	0	0	102.7	F16	I14-F16 PolarHBondContact O-N 2.78Å
15	D	45	Very low	49.4	Very low	134 Å²	134	124.3 Å²	124.3	72%	0.717	63%	0.633	S	S	*	*			trans	-53.2	105.9	173.3	-76.2	-35.9	0	0	0	107.7	Y13 V17	Y13-D15 PolarHBondContact O-N 3.47Å; D15-V17 VanDerWaalsContact C-N 3.3Å; D15-V17 PolarHBondContact O-N 3.27Å
16	F	49.3	Very low	50.9	Low	174 Å²	174	121.7 Å²	121.7	76%	0.763	62%	0.621	S	S	*	*			trans	-71.1	94	176	-173.2	-91.7	0	0	0	106.4	I14 P18	I14-F16 PolarHBondContact O-N 2.78Å; F16-P18 HydrophobicContact CD1-CB 4.33Å; F16-P18 HydrophobicContact CE1-CB 4Å; F16-P18 WeakPolarHBondContact O-CD 3.48Å
17	V	53.2	Low	52.1	Low	117 Å²	117	118 Å²	118	71%	0.709	60%	0.597	S	S	*	*			trans	-78.9	106.3	167.3	-176.4	0	0	0	0	106.1	D15 T19	D15-V17 VanDerWaalsContact C-N 3.3Å; D15-V17 PolarHBondContact O-N 3.27Å; V17-T19 PolarHBondContact O-N 3.24Å
18	P	56.1	Low	53.3	Low	41 Å²	41	112.3 Å²	112.3	27%	0.266	56%	0.557	S	S	.	*			trans	-61.6	133	-179.6	23.2	-30.7	0	0	0	109.7	F16 A22 Q23	F16-P18 HydrophobicContact CD1-CB 4.33Å; F16-P18 HydrophobicContact CE1-CB 4Å; F16-P18 WeakPolarHBondContact O-CD 3.48Å; P18-A22 HydrophobicContact CB-CB 4.04Å; P18-Q23 HydrophobicContact CB-CG 3.94Å; P18-Q23 HydrophobicContact CG-CG 3.84Å; P18-Q23 PolarHBondContact O-NE2 2.88Å
19	T	63.8	Low	54.3	Low	91 Å²	91	111.4 Å²	111.4	56%	0.558	54%	0.542	S	S	*	.			trans	-60.7	157.9	174.8	60.4	0	0	0	0	110.9	V17 S21 A22 Q23	V17-T19 PolarHBondContact O-N 3.24Å; T19-S21 PolarHBondContact O-N 3.43Å; T19-S21 VanDerWaalsContact O-N 3.14Å; T19-A22 WeakPolarHBondContact O-CA 3.32Å; T19-A22 WeakPolarHBondContact O-CB 3.14Å; T19-A22 PolarHBondContact O-N 3.41Å; T19-A22 PolarHBondContact OG1-N 3.37Å; T19-Q23 PolarHBondContact O-N 3.24Å
20	N	61.6	Low	55.7	Low	80 Å²	80	108.6 Å²	108.6	43%	0.428	53%	0.531	S	S	.	.	H	α-helix	trans	-52.5	-38.5	177.4	-66.7	-9.6	0	0	0	111.8	Q23 A24 Q361	N20-Q23 PolarHBondContact O-N 3.26Å; N20-A24 VanDerWaalsContact O-CB 3.26Å; N20-A24 WeakPolarHBondContact O-CB 3.31Å; N20-A24 PolarHBondContact O-N 3.42Å; N20-Q361 PolarHBondContact ND2-OE1 3.47Å; N20-Q361 VanDerWaalsContact ND2-OE1 3.14Å
21	S	63.1	Low	57.7	Low	77 Å²	77	103.1 Å²	103.1	54%	0.538	52%	0.515	S	S	.	.	H	α-helix	trans	-63.4	-40.9	174.6	-47.4	0	0	0	0	113	T19 A24 I25	T19-S21 PolarHBondContact O-N 3.43Å; T19-S21 VanDerWaalsContact O-N 3.14Å; S21-A24 PolarHBondContact O-N 3.32Å; S21-I25 VanDerWaalsContact O-CG1 3.28Å; S21-I25 WeakPolarHBondContact O-CG1 3.37Å; S21-I25 PolarHBondContact O-N 3.46Å
22	A	61	Low	60	Low	35 Å²	35	98.3 Å²	98.3	29%	0.289	50%	0.498	S	S	.	.	H	α-helix	trans	-68.1	-40.2	177.6	0	0	0	0	0	111.8	P18 T19 I25 Q26	P18-A22 HydrophobicContact CB-CB 4.04Å; T19-A22 WeakPolarHBondContact O-CA 3.32Å; T19-A22 WeakPolarHBondContact O-CB 3.14Å; T19-A22 PolarHBondContact O-N 3.41Å; T19-A22 PolarHBondContact OG1-N 3.37Å; A22-I25 PolarHBondContact O-N 2.92Å; A22-Q26 WeakPolarHBondContact O-CB 3.4Å; A22-Q26 PolarHBondContact O-N 3.06Å
23	Q	65.5	Low	62.2	Low	63 Å²	63	90.3 Å²	90.3	29%	0.294	47%	0.466	S	S	.	.	H	α-helix	trans	-65.3	-41.3	174.4	-63.8	-177.7	17.1	0	0	111.6	P18 T19 N20 Q26 K27	P18-Q23 HydrophobicContact CB-CG 3.94Å; P18-Q23 HydrophobicContact CG-CG 3.84Å; P18-Q23 PolarHBondContact O-NE2 2.88Å; T19-Q23 PolarHBondContact O-N 3.24Å; N20-Q23 PolarHBondContact O-N 3.26Å; Q23-Q26 PolarHBondContact O-N 2.84Å; Q23-K27 PolarHBondContact O-N 3.14Å
24	A	62.8	Low	64.4	Low	2 Å²	2	82.2 Å²	82.2	2%	0.017	44%	0.442	C	S	.	.	H	α-helix	trans	-60.3	-45	174.4	0	0	0	0	0	111.8	N20 S21 K27 A28 H76 E80	N20-A24 VanDerWaalsContact O-CB 3.26Å; N20-A24 WeakPolarHBondContact O-CB 3.31Å; N20-A24 PolarHBondContact O-N 3.42Å; S21-A24 PolarHBondContact O-N 3.32Å; A24-K27 PolarHBondContact O-N 3.28Å; A24-A28 VanDerWaalsContact O-CB 3.31Å; A24-A28 WeakPolarHBondContact O-CB 3.41Å; A24-A28 PolarHBondContact O-N 2.65Å; A24-H76 HydrophobicContact CB-CB 4.11Å; A24-E80 HydrophobicContact CB-CB 3.89Å; A24-E80 HydrophobicContact CB-CG 4.14Å
25	I	64.8	Low	66.3	Low	69 Å²	69	76.7 Å²	76.7	35%	0.354	42%	0.416	S	S	.	.	H	α-helix	trans	-63.3	-45.1	174.4	-68.7	165.2	0	0	0	110.6	S21 A22 K27 A28 V29 F103	S21-I25 VanDerWaalsContact O-CG1 3.28Å; S21-I25 WeakPolarHBondContact O-CG1 3.37Å; S21-I25 PolarHBondContact O-N 3.46Å; A22-I25 PolarHBondContact O-N 2.92Å; I25-K27 VanDerWaalsContact C-N 3.33Å; I25-K27 PolarHBondContact O-N 2.91Å; I25-A28 WeakPolarHBondContact O-CB 3.31Å; I25-A28 PolarHBondContact O-N 2.86Å; I25-V29 HydrophobicContact CG2-CG2 4.17Å; I25-V29 WeakPolarHBondContact O-CB 3.4Å; I25-V29 WeakPolarHBondContact O-CG2 3.43Å; I25-V29 PolarHBondContact O-N 2.79Å; I25-F103 HydrophobicContact CG1-CE2 4.48Å; I25-F103 HydrophobicContact CG2-CE2 4.42Å; I25-F103 HydrophobicContact CG2-CZ 4.26Å
26	Q	67.4	Low	68.2	Low	135 Å²	135	75.9 Å²	75.9	63%	0.631	41%	0.408	S	S	*	.	H	α-helix	trans	-57.8	-46.2	178.2	-173.2	-177.7	21.6	0	0	111.5	A22 Q23 V29 T30	A22-Q26 WeakPolarHBondContact O-CB 3.4Å; A22-Q26 PolarHBondContact O-N 3.06Å; Q23-Q26 PolarHBondContact O-N 2.84Å; Q26-V29 PolarHBondContact O-N 3Å; Q26-T30 WeakPolarHBondContact O-CG2 3.46Å; Q26-T30 PolarHBondContact O-N 2.95Å
27	K	64.1	Low	70.1	Confident	83 Å²	83	70 Å²	70	36%	0.361	39%	0.385	S	S	.	.	H	α-helix	trans	-63.3	-45.1	174.5	-78.6	-175	179.4	173.6	0	111.8	Q23 A24 I25 V29 T30 E80	Q23-K27 PolarHBondContact O-N 3.14Å; A24-K27 PolarHBondContact O-N 3.28Å; I25-K27 VanDerWaalsContact C-N 3.33Å; I25-K27 PolarHBondContact O-N 2.91Å; K27-V29 PolarHBondContact O-N 3.34Å; K27-T30 WeakPolarHBondContact O-CB 3.49Å; K27-T30 PolarHBondContact O-N 3.49Å; K27-T30 PolarHBondContact O-OG1 3.26Å; K27-E80 HydrophobicContact CD-CG 3.86Å; K27-E80 WeakPolarHBondContact CD-O 3.05Å; K27-E80 PolarHBondContact NZ-O 3.07Å; K27-E80 VanDerWaalsContact NZ-O 3.09Å
28	A	61.6	Low	71.8	Confident	3 Å²	3	64.5 Å²	64.5	3%	0.025	35%	0.351	C	S	.	.	H	α-helix	trans	-56.5	-38.1	177.5	0	0	0	0	0	112.1	A24 I25 T30 I79 S96 F103	A24-A28 VanDerWaalsContact O-CB 3.31Å; A24-A28 WeakPolarHBondContact O-CB 3.41Å; A24-A28 PolarHBondContact O-N 2.65Å; I25-A28 WeakPolarHBondContact O-CB 3.31Å; I25-A28 PolarHBondContact O-N 2.86Å; A28-T30 VanDerWaalsContact C-N 3.28Å; A28-T30 PolarHBondContact O-N 3.01Å; A28-I79 HydrophobicContact CB-CG2 3.57Å; A28-S96 PolarHBondContact O-OG 3.41Å; A28-F103 HydrophobicContact CB-CD1 3.98Å; A28-F103 HydrophobicContact CB-CE1 4.07Å
29	V	63.9	Low	73.4	Confident	73 Å²	73	62.7 Å²	62.7	44%	0.442	34%	0.339	S	S	.	.	H	α-helix	trans	-71.7	-19.3	-179.8	174.3	0	0	0	0	112.8	I25 Q26 K27 H31 L32 F103	I25-V29 HydrophobicContact CG2-CG2 4.17Å; I25-V29 WeakPolarHBondContact O-CB 3.4Å; I25-V29 WeakPolarHBondContact O-CG2 3.43Å; I25-V29 PolarHBondContact O-N 2.79Å; Q26-V29 PolarHBondContact O-N 3Å; K27-V29 PolarHBondContact O-N 3.34Å; V29-H31 VanDerWaalsContact C-N 3.3Å; V29-H31 PolarHBondContact O-N 2.77Å; V29-L32 HydrophobicContact CB-CD1 4.15Å; V29-L32 HydrophobicContact CG1-CD1 3.88Å; V29-L32 HydrophobicContact CG2-CD1 4.2Å; V29-F103 HydrophobicContact CG2-CE1 4.28Å; V29-F103 HydrophobicContact CG2-CZ 4.2Å
30	T	69.4	Low	74.7	Confident	93 Å²	93	58.8 Å²	58.8	57%	0.571	32%	0.315	S	S	*	.	H	α-helix	trans	-65.5	-30.6	-178.9	62.5	0	0	0	0	113.8	Q26 K27 A28	Q26-T30 WeakPolarHBondContact O-CG2 3.46Å; Q26-T30 PolarHBondContact O-N 2.95Å; K27-T30 WeakPolarHBondContact O-CB 3.49Å; K27-T30 PolarHBondContact O-N 3.49Å; K27-T30 PolarHBondContact O-OG1 3.26Å; A28-T30 VanDerWaalsContact C-N 3.28Å; A28-T30 PolarHBondContact O-N 3.01Å
31	H	79	Confident	76	Confident	122 Å²	122	58.4 Å²	58.4	57%	0.565	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.6	66.8	-177.3	-65.1	86	0	0	0	109.9	V29 G95 S96	V29-H31 VanDerWaalsContact C-N 3.3Å; V29-H31 PolarHBondContact O-N 2.77Å; H31-G95 CarbonylContact O-C 3.57Å; H31-G95 VanDerWaalsContact O-CA 3.23Å; H31-G95 WeakPolarHBondContact O-CA 3.48Å; H31-S96 PolarHBondContact O-N 3.22Å
32	L	84.1	Confident	77.2	Confident	85 Å²	85	54.7 Å²	54.7	45%	0.445	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-86.1	126.4	177.3	-76.4	168.6	0	0	0	112	V29 S96 F103	V29-L32 HydrophobicContact CB-CD1 4.15Å; V29-L32 HydrophobicContact CG1-CD1 3.88Å; V29-L32 HydrophobicContact CG2-CD1 4.2Å; L32-S96 CarbonylContact C-O 3.55Å; L32-S96 WeakPolarHBondContact CA-O 3.48Å; L32-S96 WeakPolarHBondContact CD2-OG 3.39Å; L32-F103 HydrophobicContact CD2-CD1 4.42Å; L32-F103 HydrophobicContact CD2-CE1 4.04Å
33	Y	86.1	Confident	78.6	Confident	49 Å²	49	54.5 Å²	54.5	19%	0.192	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-90.1	140.5	167	-75.5	-101.4	0	0	0	110.1	C35 I38 H57 M64 S96 L106	Y33-C35 PolarHBondContact O-N 3.22Å; Y33-I38 HydrophobicContact CD1-CD1 4.2Å; Y33-I38 HydrophobicContact CG-CD1 4.49Å; Y33-H57 AromaticContact CD1-CD2 3.6Å; Y33-H57 AromaticContact CD1-CE1 3.97Å; Y33-H57 AromaticContact CD1-NE2 3.57Å; Y33-H57 AromaticContact CE1-CD2 3.98Å; Y33-H57 AromaticContact CE1-CE1 3.81Å; Y33-H57 AromaticContact CE1-CG 3.96Å; Y33-H57 AromaticContact CE1-ND1 3.87Å; Y33-H57 AromaticContact CE1-NE2 3.9Å; Y33-M64 HydrophobicContact CD1-CE 4.39Å; Y33-M64 HydrophobicContact CE1-CE 4.3Å; Y33-M64 HydrophobicContact CE1-SD 4.3Å; Y33-S96 PolarHBondContact N-O 3.3Å; Y33-L106 HydrophobicContact CD1-CD1 4.34Å; Y33-L106 HydrophobicContact CD2-CD1 3.72Å; Y33-L106 HydrophobicContact CE2-CD1 4.49Å; Y33-L106 HydrophobicContact CG-CD1 3.63Å
34	C	86	Confident	79.7	Confident	56 Å²	56	53.8 Å²	53.8	38%	0.378	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-66.9	124.3	168.6	-173.1	0	0	0	0	109	E36 D37	C34-E36 PolarHBondContact O-N 2.89Å; C34-D37 HydrophobicContact CB-CB 4.27Å; C34-D37 WeakPolarHBondContact CB-OD2 3.35Å; C34-D37 WeakPolarHBondContact O-CB 3.45Å; C34-D37 PolarHBondContact O-N 3.47Å; C34-D37 VanDerWaalsContact O-N 3.1Å
35	C	84.3	Confident	80.8	Confident	29 Å²	29	54.8 Å²	54.8	20%	0.196	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-65	-28.9	-175.3	68.5	0	0	0	0	111.9	Y33 D37 I38 L280	Y33-C35 PolarHBondContact O-N 3.22Å; C35-D37 VanDerWaalsContact C-N 3.26Å; C35-D37 PolarHBondContact O-N 2.8Å; C35-I38 WeakPolarHBondContact O-CB 3.32Å; C35-I38 PolarHBondContact O-N 2.64Å; C35-I38 VanDerWaalsContact O-N 3.15Å; C35-L280 HydrophobicContact CB-CD2 3.62Å; C35-L280 WeakPolarHBondContact O-CB 3.4Å; C35-L280 WeakPolarHBondContact O-CD2 3.49Å
36	E	85.2	Confident	81.6	Confident	117 Å²	117	55.2 Å²	55.2	55%	0.547	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-71.7	-18.7	176.4	-64.1	153.3	177.9	0	0	113.8	C34 I38 N279	C34-E36 PolarHBondContact O-N 2.89Å; E36-I38 VanDerWaalsContact C-N 3.35Å; E36-N279 PolarHBondContact O-ND2 3.12Å; E36-N279 PolarHBondContact O-OD1 3.41Å
37	D	88.7	Confident	81.7	Confident	51 Å²	51	51.3 Å²	51.3	27%	0.273	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-87.4	-8.4	173.8	-74	-37.7	0	0	0	112.2	C34 C35 R58 P59	C34-D37 HydrophobicContact CB-CB 4.27Å; C34-D37 WeakPolarHBondContact CB-OD2 3.35Å; C34-D37 WeakPolarHBondContact O-CB 3.45Å; C34-D37 PolarHBondContact O-N 3.47Å; C34-D37 VanDerWaalsContact O-N 3.1Å; C35-D37 VanDerWaalsContact C-N 3.26Å; C35-D37 PolarHBondContact O-N 2.8Å; D37-R58 WeakPolarHBondContact O-CB 3.39Å; D37-R58 PolarHBondContact O-N 2.77Å; D37-P59 HydrophobicContact CB-CG 4.27Å
38	I	90.1	Very high	81.8	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	117.1	177.5	-55.7	-53.8	0	0	0	109.7	Y33 C35 E36 V55 H57 M64 M66 L106 N279 L280	Y33-I38 HydrophobicContact CD1-CD1 4.2Å; Y33-I38 HydrophobicContact CG-CD1 4.49Å; C35-I38 WeakPolarHBondContact O-CB 3.32Å; C35-I38 PolarHBondContact O-N 2.64Å; C35-I38 VanDerWaalsContact O-N 3.15Å; E36-I38 VanDerWaalsContact C-N 3.35Å; I38-V55 HydrophobicContact CG2-CB 3.56Å; I38-V55 HydrophobicContact CG2-CG1 3.79Å; I38-V55 HydrophobicContact CG2-CG2 3.7Å; I38-H57 HydrophobicContact CD1-CB 4.44Å; I38-M64 HydrophobicContact CD1-CE 3.65Å; I38-M66 HydrophobicContact CG2-SD 4.22Å; I38-L106 HydrophobicContact CD1-CD1 3.97Å; I38-L106 HydrophobicContact CG1-CD1 4.36Å; I38-N279 PolarHBondContact O-OD1 3.47Å; I38-L280 WeakPolarHBondContact O-CB 3.42Å; I38-L280 PolarHBondContact O-N 3.15Å
39	V	89.1	Confident	82.1	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.024	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127	179.3	178.5	0	0	0	0	109.3	V55 S56 R58 D277	V39-V55 CarbonylContact O-C 3.52Å; V39-V55 WeakPolarHBondContact O-CA 3.42Å; V39-V55 WeakPolarHBondContact O-CB 3.48Å; V39-S56 PolarHBondContact N-O 3.16Å; V39-S56 PolarHBondContact O-N 3.2Å; V39-R58 HydrophobicContact CG2-CB 4.49Å; V39-D277 HydrophobicContact CG1-CB 3.58Å
40	I	90	Very high	82.7	Confident	8 Å²	8	55 Å²	55	4%	0.041	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	129.3	177.8	-71.9	155.5	0	0	0	110.2	F53 V55 M66 L278 L280 L283 I310	I40-F53 HydrophobicContact CG2-CB 4.48Å; I40-F53 HydrophobicContact CG2-CD1 4.27Å; I40-V55 HydrophobicContact CG1-CG1 3.7Å; I40-M66 HydrophobicContact CD1-CE 3.96Å; I40-M66 HydrophobicContact CG1-CE 4.09Å; I40-L278 PolarHBondContact N-O 3.31Å; I40-L280 HydrophobicContact CD1-CD1 3.64Å; I40-L280 HydrophobicContact CG1-CD1 4.44Å; I40-L283 HydrophobicContact CD1-CD1 3.1Å; I40-L283 HydrophobicContact CG1-CD1 4.45Å; I40-I310 HydrophobicContact CG2-CD1 4.21Å; I40-I310 HydrophobicContact CG2-CG2 4.44Å
41	K	88.9	Confident	83.4	Confident	72 Å²	72	51.9 Å²	51.9	31%	0.313	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-28.9	179.6	-64	-65.4	-177.8	172.9	0	112.4	L54 L63 D277	K41-L54 HydrophobicContact CB-CB 4.28Å; K41-L54 HydrophobicContact CB-CD2 3.97Å; K41-L54 HydrophobicContact CB-CG 4Å; K41-L54 PolarHBondContact N-O 3.44Å; K41-L63 HydrophobicContact CG-CD2 4.44Å; K41-D277 IonicContact NZ-OD1 3.38Å; K41-D277 PolarHBondContact NZ-OD1 2.95Å; K41-D277 IonicContact NZ-OD2 2.76Å; K41-D277 PolarHBondContact NZ-OD2 3.31Å
42	G	89.6	Confident	83.9	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.8	180	176.3	0	0	0	0	0	112.2	F53 L54	G42-F53 CarbonylContact O-C 3.44Å; G42-F53 WeakPolarHBondContact O-CA 3.44Å; G42-L54 PolarHBondContact N-O 2.63Å; G42-L54 PolarHBondContact O-N 2.81Å
43	K	90.1	Very high	84.3	Confident	31 Å²	31	44.1 Å²	44.1	14%	0.135	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	135.8	178.5	-170.8	174	176.6	-175.3	0	109.1	G45 S46 F53 I310 P311 L312 I313	K43-G45 WeakPolarHBondContact CE-O 3.45Å; K43-S46 WeakPolarHBondContact CE-OG 3.17Å; K43-S46 PolarHBondContact NZ-OG 2.9Å; K43-F53 HydrophobicContact CB-CD1 4.17Å; K43-F53 HydrophobicContact CB-CE1 4.16Å; K43-F53 HydrophobicContact CD-CE1 4.39Å; K43-F53 HydrophobicContact CG-CD1 4.32Å; K43-F53 HydrophobicContact CG-CE1 4.05Å; K43-I310 HydrophobicContact CB-CB 4.46Å; K43-I310 HydrophobicContact CB-CG2 4.01Å; K43-P311 PolarHBondContact N-O 2.7Å; K43-L312 CarbonylContact O-C 3.59Å; K43-L312 WeakPolarHBondContact O-CA 3.35Å; K43-I313 PolarHBondContact O-N 3.11Å
44	L	89.2	Confident	84.6	Confident	47 Å²	47	41.9 Å²	41.9	25%	0.246	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-31	175.4	-66.4	177.2	0	0	0	111.8	V52 L54 A65 Y109 I313	L44-V52 HydrophobicContact CB-CB 4.28Å; L44-V52 HydrophobicContact CB-CG1 4.21Å; L44-V52 HydrophobicContact CD1-CG1 4.09Å; L44-V52 PolarHBondContact N-O 3.26Å; L44-L54 HydrophobicContact CD1-CB 4.19Å; L44-L54 HydrophobicContact CD2-CB 4.02Å; L44-L54 HydrophobicContact CG-CB 4.03Å; L44-A65 HydrophobicContact CD1-CB 4Å; L44-Y109 HydrophobicContact CD1-CD2 3.7Å; L44-Y109 HydrophobicContact CD1-CE2 3.74Å; L44-Y109 HydrophobicContact CD2-CD2 4.29Å; L44-Y109 HydrophobicContact CD2-CE2 3.48Å; L44-Y109 VanDerWaalsContact CD2-CE2 3.48Å; L44-Y109 HydrophobicContact CG-CE2 4.28Å; L44-I313 HydrophobicContact CD2-CB 4.11Å; L44-I313 HydrophobicContact CD2-CG2 4.33Å
45	G	85.3	Confident	85	Confident	23 Å²	23	39.2 Å²	39.2	24%	0.237	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.7	173.1	177.8	0	0	0	0	0	112.5	K43 V52	K43-G45 WeakPolarHBondContact CE-O 3.45Å; G45-V52 PolarHBondContact N-O 3.04Å; G45-V52 PolarHBondContact O-N 3.31Å
46	S	80.4	Confident	85.4	Confident	79 Å²	79	38.5 Å²	38.5	55%	0.552	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-143.9	140.1	168.1	44.9	0	0	0	0	109.3	K43 G50	K43-S46 WeakPolarHBondContact CE-OG 3.17Å; K43-S46 PolarHBondContact NZ-OG 2.9Å; S46-G50 CarbonylContact C-O 3.54Å; S46-G50 WeakPolarHBondContact CA-O 3.24Å
47	G	69.9	Low	85.7	Confident	52 Å²	52	34 Å²	34	54%	0.536	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	-167.4	177.9	0	0	0	0	0	111.3	F49 G50	G47-F49 VanDerWaalsContact C-N 3.26Å; G47-F49 PolarHBondContact O-N 3.06Å; G47-G50 PolarHBondContact N-O 3.34Å; G47-G50 PolarHBondContact O-N 3.38Å
48	Y	67.5	Low	85.8	Confident	179 Å²	179	36.2 Å²	36.2	70%	0.702	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-42.6	-179.2	-176.5	-98.3	0	0	0	112.3	G50 N70	Y48-G50 PolarHBondContact O-N 3.25Å; Y48-N70 PolarHBondContact O-ND2 3.46Å; Y48-N70 VanDerWaalsContact O-ND2 3.08Å
49	F	67.5	Low	85.8	Confident	54 Å²	54	40.1 Å²	40.1	24%	0.237	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	5	-179.9	-57.3	-67.1	0	0	0	114.5	G47 A69 D352 L355	G47-F49 VanDerWaalsContact C-N 3.26Å; G47-F49 PolarHBondContact O-N 3.06Å; F49-A69 WeakPolarHBondContact O-CA 3.34Å; F49-A69 VanDerWaalsContact O-CB 3.25Å; F49-A69 WeakPolarHBondContact O-CB 3.34Å; F49-D352 WeakPolarHBondContact CD2-OD2 3.36Å; F49-L355 HydrophobicContact CZ-CD1 4.21Å
50	G	76.7	Confident	85.9	Confident	5 Å²	5	43.9 Å²	43.9	5%	0.052	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	118.2	-159.5	175.3	0	0	0	0	0	114.5	S46 G47 Y48 L68	S46-G50 CarbonylContact C-O 3.54Å; S46-G50 WeakPolarHBondContact CA-O 3.24Å; G47-G50 PolarHBondContact N-O 3.34Å; G47-G50 PolarHBondContact O-N 3.38Å; Y48-G50 PolarHBondContact O-N 3.25Å; G50-L68 VanDerWaalsContact CA-O 3.28Å; G50-L68 WeakPolarHBondContact CA-O 3.45Å
51	S	84.2	Confident	86	Confident	27 Å²	27	50.3 Å²	50.3	19%	0.189	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	139.7	-177.5	-65.8	0	0	0	0	111.4	F53 L68	S51-F53 VanDerWaalsContact CB-CE2 3.43Å; S51-L68 PolarHBondContact N-O 3.26Å; S51-L68 PolarHBondContact O-N 3.17Å
52	V	90.1	Very high	86.2	Confident	43 Å²	43	49.9 Å²	49.9	26%	0.261	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.3	179	-169.5	0	0	0	0	109.1	L44 G45 A65 M66 K67	L44-V52 HydrophobicContact CB-CB 4.28Å; L44-V52 HydrophobicContact CB-CG1 4.21Å; L44-V52 HydrophobicContact CD1-CG1 4.09Å; L44-V52 PolarHBondContact N-O 3.26Å; G45-V52 PolarHBondContact N-O 3.04Å; G45-V52 PolarHBondContact O-N 3.31Å; V52-A65 HydrophobicContact CG1-CB 4.09Å; V52-M66 CarbonylContact C-O 3.5Å; V52-M66 WeakPolarHBondContact CA-O 3.46Å; V52-K67 HydrophobicContact CG2-CB 4.41Å; V52-K67 HydrophobicContact CG2-CG 4.22Å
53	F	91	Very high	86.4	Confident	1 Å²	1	52.3 Å²	52.3	0%	0.004	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	142.6	-178.1	-61.3	-89.3	0	0	0	110.5	I40 G42 K43 S51 V55 A65 M66 L68 L307 I310	I40-F53 HydrophobicContact CG2-CB 4.48Å; I40-F53 HydrophobicContact CG2-CD1 4.27Å; G42-F53 CarbonylContact O-C 3.44Å; G42-F53 WeakPolarHBondContact O-CA 3.44Å; K43-F53 HydrophobicContact CB-CD1 4.17Å; K43-F53 HydrophobicContact CB-CE1 4.16Å; K43-F53 HydrophobicContact CD-CE1 4.39Å; K43-F53 HydrophobicContact CG-CD1 4.32Å; K43-F53 HydrophobicContact CG-CE1 4.05Å; S51-F53 VanDerWaalsContact CB-CE2 3.43Å; F53-V55 HydrophobicContact CB-CG1 4.29Å; F53-A65 WeakPolarHBondContact O-CA 3.38Å; F53-M66 HydrophobicContact CB-CE 4.18Å; F53-M66 HydrophobicContact CD2-CE 4.22Å; F53-M66 HydrophobicContact CG-CE 4.43Å; F53-M66 PolarHBondContact N-O 2.95Å; F53-M66 PolarHBondContact O-N 3.14Å; F53-L68 HydrophobicContact CD2-CD1 3.98Å; F53-L68 HydrophobicContact CD2-CG 4.25Å; F53-L68 HydrophobicContact CE2-CD1 3.6Å; F53-L68 HydrophobicContact CE2-CG 4.16Å; F53-L307 HydrophobicContact CE1-CD2 4.25Å; F53-L307 HydrophobicContact CZ-CD2 3.94Å; F53-I310 HydrophobicContact CD1-CD1 4.16Å; F53-I310 HydrophobicContact CD1-CG2 4.45Å; F53-I310 HydrophobicContact CE1-CD1 3.76Å
54	L	93.9	Very high	86.7	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	128.2	164.3	-177.6	64.4	0	0	0	107.6	K41 G42 L44 L63 Y109 I313	K41-L54 HydrophobicContact CB-CB 4.28Å; K41-L54 HydrophobicContact CB-CD2 3.97Å; K41-L54 HydrophobicContact CB-CG 4Å; K41-L54 PolarHBondContact N-O 3.44Å; G42-L54 PolarHBondContact N-O 2.63Å; G42-L54 PolarHBondContact O-N 2.81Å; L44-L54 HydrophobicContact CD1-CB 4.19Å; L44-L54 HydrophobicContact CD2-CB 4.02Å; L44-L54 HydrophobicContact CG-CB 4.03Å; L54-L63 HydrophobicContact CD1-CB 4.17Å; L54-L63 HydrophobicContact CD1-CD2 4.33Å; L54-L63 HydrophobicContact CD2-CD2 4.42Å; L54-L63 HydrophobicContact CG-CD2 4.38Å; L54-Y109 HydrophobicContact CD1-CD1 3.53Å; L54-Y109 HydrophobicContact CD1-CD2 3.68Å; L54-Y109 HydrophobicContact CD1-CE1 3.83Å; L54-Y109 HydrophobicContact CD1-CE2 3.99Å; L54-Y109 HydrophobicContact CD1-CG 3.43Å; L54-Y109 VanDerWaalsContact CD1-CG 3.43Å; L54-Y109 HydrophobicContact CD2-CE1 4.34Å; L54-I313 HydrophobicContact CB-CD1 3.59Å; L54-I313 HydrophobicContact CD2-CD1 3.45Å; L54-I313 VanDerWaalsContact CD2-CD1 3.45Å; L54-I313 HydrophobicContact CG-CD1 4.14Å
55	V	92.9	Very high	86.9	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	153.5	176.7	-55.1	0	0	0	0	111	I38 V39 I40 F53 L63 M64 M66 L106	I38-V55 HydrophobicContact CG2-CB 3.56Å; I38-V55 HydrophobicContact CG2-CG1 3.79Å; I38-V55 HydrophobicContact CG2-CG2 3.7Å; V39-V55 CarbonylContact O-C 3.52Å; V39-V55 WeakPolarHBondContact O-CA 3.42Å; V39-V55 WeakPolarHBondContact O-CB 3.48Å; I40-V55 HydrophobicContact CG1-CG1 3.7Å; F53-V55 HydrophobicContact CB-CG1 4.29Å; V55-L63 CarbonylContact O-C 3.49Å; V55-L63 WeakPolarHBondContact O-CA 3.32Å; V55-M64 HydrophobicContact CG2-CB 3.89Å; V55-M64 HydrophobicContact CG2-CE 4.19Å; V55-M64 PolarHBondContact N-O 3.3Å; V55-M64 PolarHBondContact O-N 3Å; V55-M66 HydrophobicContact CG1-CB 3.69Å; V55-M66 HydrophobicContact CG1-CE 3.91Å; V55-M66 HydrophobicContact CG1-SD 4.11Å; V55-M66 HydrophobicContact CG2-CB 4.03Å; V55-L106 HydrophobicContact CG2-CD2 4Å
56	S	92.7	Very high	87.1	Confident	14 Å²	14	47.9 Å²	47.9	10%	0.098	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.7	171.2	-176.2	0	0	0	0	109.2	V39 R58 K61 R62	V39-S56 PolarHBondContact N-O 3.16Å; V39-S56 PolarHBondContact O-N 3.2Å; S56-R58 PolarHBondContact O-N 3.14Å; S56-K61 PolarHBondContact OG-O 3.48Å; S56-R62 WeakPolarHBondContact CA-O 3.44Å
57	H	92.9	Very high	87.5	Confident	21 Å²	21	45.3 Å²	45.3	10%	0.097	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	115.7	171.4	-177.9	-131.5	0	0	0	109.7	Y33 I38 P59 T60 K61 R62 M64	Y33-H57 AromaticContact CD1-CD2 3.6Å; Y33-H57 AromaticContact CD1-CE1 3.97Å; Y33-H57 AromaticContact CD1-NE2 3.57Å; Y33-H57 AromaticContact CE1-CD2 3.98Å; Y33-H57 AromaticContact CE1-CE1 3.81Å; Y33-H57 AromaticContact CE1-CG 3.96Å; Y33-H57 AromaticContact CE1-ND1 3.87Å; Y33-H57 AromaticContact CE1-NE2 3.9Å; I38-H57 HydrophobicContact CD1-CB 4.44Å; H57-P59 WeakPolarHBondContact NE2-CD 3.38Å; H57-T60 WeakPolarHBondContact ND1-CG2 3.41Å; H57-T60 PolarHBondContact ND1-OG1 3.12Å; H57-T60 PolarHBondContact O-N 3.19Å; H57-K61 WeakPolarHBondContact O-CA 3.42Å; H57-K61 PolarHBondContact O-N 2.8Å; H57-R62 PolarHBondContact N-O 3.15Å; H57-M64 HydrophobicContact CB-CE 3.78Å
58	R	89.3	Confident	87.9	Confident	99 Å²	99	44.9 Å²	44.9	37%	0.374	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-44.1	-171.1	179.8	-168.2	-51.1	-72.8	-2.2	114.2	D37 V39 S56 K61	D37-R58 WeakPolarHBondContact O-CB 3.39Å; D37-R58 PolarHBondContact O-N 2.77Å; V39-R58 HydrophobicContact CG2-CB 4.49Å; S56-R58 PolarHBondContact O-N 3.14Å; R58-K61 WeakPolarHBondContact O-CD 3.23Å; R58-K61 WeakPolarHBondContact O-CE 3.37Å; R58-K61 PolarHBondContact O-NZ 2.93Å
59	P	90.3	Very high	88.1	Confident	82 Å²	82	37 Å²	37	53%	0.532	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-44.8	178	-22.9	34	0	0	0	114.2	D37 H57	D37-P59 HydrophobicContact CB-CG 4.27Å; H57-P59 WeakPolarHBondContact NE2-CD 3.38Å
60	T	91.4	Very high	88.1	Confident	82 Å²	82	39.2 Å²	39.2	50%	0.503	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-9.6	-174.5	65	0	0	0	0	113.7	H57 R62	H57-T60 WeakPolarHBondContact ND1-CG2 3.41Å; H57-T60 PolarHBondContact ND1-OG1 3.12Å; H57-T60 PolarHBondContact O-N 3.19Å; T60-R62 PolarHBondContact O-N 3.33Å; T60-R62 WeakPolarHBondContact OG1-CB 3.44Å; T60-R62 PolarHBondContact OG1-N 3.04Å
61	K	91.5	Very high	87.5	Confident	144 Å²	144	43.2 Å²	43.2	63%	0.626	22%	0.222	S	C	*	.			trans	60	3.7	-171	-53.6	-57.3	-177.6	-166.5	0	115.3	S56 H57 R58 L63	S56-K61 PolarHBondContact OG-O 3.48Å; H57-K61 WeakPolarHBondContact O-CA 3.42Å; H57-K61 PolarHBondContact O-N 2.8Å; R58-K61 WeakPolarHBondContact O-CD 3.23Å; R58-K61 WeakPolarHBondContact O-CE 3.37Å; R58-K61 PolarHBondContact O-NZ 2.93Å; K61-L63 PolarHBondContact O-N 3.09Å
62	R	93.8	Very high	86.6	Confident	62 Å²	62	44.1 Å²	44.1	23%	0.234	23%	0.231	C	C	.	.			trans	-64	134.7	-178	-170.7	-176.7	-73.5	167.1	-1.4	111.1	S56 H57 T60 M64 D178	S56-R62 WeakPolarHBondContact CA-O 3.44Å; H57-R62 PolarHBondContact N-O 3.15Å; T60-R62 PolarHBondContact O-N 3.33Å; T60-R62 WeakPolarHBondContact OG1-CB 3.44Å; T60-R62 PolarHBondContact OG1-N 3.04Å; R62-M64 HydrophobicContact CG-CG 4.37Å; R62-D178 IonicContact CZ-OD1 3.59Å; R62-D178 IonicContact CZ-OD2 3.05Å; R62-D178 IonicContact NE-OD1 2.85Å; R62-D178 PolarHBondContact NE-OD1 3.34Å; R62-D178 IonicContact NE-OD2 3.49Å; R62-D178 PolarHBondContact NE-OD2 3.17Å; R62-D178 IonicContact NH2-OD1 3.46Å; R62-D178 PolarHBondContact NH2-OD1 3.04Å; R62-D178 IonicContact NH2-OD2 2.61Å; R62-D178 PolarHBondContact NH2-OD2 3.03Å
63	L	94.6	Very high	85.3	Confident	52 Å²	52	45.5 Å²	45.5	27%	0.272	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	138.1	169.8	-67.3	178.9	0	0	0	110.7	K41 L54 V55 K61 Y109	K41-L63 HydrophobicContact CG-CD2 4.44Å; L54-L63 HydrophobicContact CD1-CB 4.17Å; L54-L63 HydrophobicContact CD1-CD2 4.33Å; L54-L63 HydrophobicContact CD2-CD2 4.42Å; L54-L63 HydrophobicContact CG-CD2 4.38Å; V55-L63 CarbonylContact O-C 3.49Å; V55-L63 WeakPolarHBondContact O-CA 3.32Å; K61-L63 PolarHBondContact O-N 3.09Å; L63-Y109 HydrophobicContact CB-CD1 4.36Å; L63-Y109 HydrophobicContact CD1-CD1 4.46Å
64	M	95	Very high	83.8	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	156.4	-177.2	-55.4	-175.3	-64.9	0	0	109.7	Y33 I38 V55 H57 R62 Y94 L106 T107	Y33-M64 HydrophobicContact CD1-CE 4.39Å; Y33-M64 HydrophobicContact CE1-CE 4.3Å; Y33-M64 HydrophobicContact CE1-SD 4.3Å; I38-M64 HydrophobicContact CD1-CE 3.65Å; V55-M64 HydrophobicContact CG2-CB 3.89Å; V55-M64 HydrophobicContact CG2-CE 4.19Å; V55-M64 PolarHBondContact N-O 3.3Å; V55-M64 PolarHBondContact O-N 3Å; H57-M64 HydrophobicContact CB-CE 3.78Å; R62-M64 HydrophobicContact CG-CG 4.37Å; M64-Y94 HydrophobicContact CB-CD2 4.26Å; M64-Y94 HydrophobicContact CG-CD2 3.56Å; M64-Y94 HydrophobicContact CG-CE2 3.79Å; M64-Y94 HydrophobicContact SD-CD2 3.59Å; M64-Y94 VanDerWaalsContact SD-CD2 3.59Å; M64-Y94 HydrophobicContact SD-CE2 4.36Å; M64-Y94 HydrophobicContact SD-CG 4.31Å; M64-L106 HydrophobicContact CE-CB 4.5Å; M64-L106 HydrophobicContact CE-CD1 3.98Å; M64-L106 HydrophobicContact CE-CD2 4.25Å; M64-L106 HydrophobicContact CE-CG 4.49Å; M64-L106 HydrophobicContact SD-CB 4.33Å; M64-T107 CarbonylContact C-O 3.56Å; M64-T107 VanDerWaalsContact CA-O 3.31Å; M64-T107 WeakPolarHBondContact CA-O 3.29Å; M64-T107 WeakPolarHBondContact CB-O 3.37Å
65	A	94.2	Very high	82.5	Confident	7 Å²	7	48.5 Å²	48.5	6%	0.058	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	131.5	167.4	0	0	0	0	0	109.4	L44 V52 F53 L106 T107	L44-A65 HydrophobicContact CD1-CB 4Å; V52-A65 HydrophobicContact CG1-CB 4.09Å; F53-A65 WeakPolarHBondContact O-CA 3.38Å; A65-L106 WeakPolarHBondContact O-CA 3.48Å; A65-T107 PolarHBondContact N-O 3.22Å; A65-T107 PolarHBondContact O-N 3.44Å; A65-T107 PolarHBondContact O-OG1 2.89Å
66	M	90.5	Very high	81.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	113.3	178.4	-174.5	-179.9	67.9	0	0	109.3	I38 I40 V52 F53 V55 L68 I99 V104 C105 L106 L280	I38-M66 HydrophobicContact CG2-SD 4.22Å; I40-M66 HydrophobicContact CD1-CE 3.96Å; I40-M66 HydrophobicContact CG1-CE 4.09Å; V52-M66 CarbonylContact C-O 3.5Å; V52-M66 WeakPolarHBondContact CA-O 3.46Å; F53-M66 HydrophobicContact CB-CE 4.18Å; F53-M66 HydrophobicContact CD2-CE 4.22Å; F53-M66 HydrophobicContact CG-CE 4.43Å; F53-M66 PolarHBondContact N-O 2.95Å; F53-M66 PolarHBondContact O-N 3.14Å; V55-M66 HydrophobicContact CG1-CB 3.69Å; V55-M66 HydrophobicContact CG1-CE 3.91Å; V55-M66 HydrophobicContact CG1-SD 4.11Å; V55-M66 HydrophobicContact CG2-CB 4.03Å; M66-L68 HydrophobicContact CE-CD1 4.34Å; M66-L68 HydrophobicContact CE-CD2 4.41Å; M66-L68 HydrophobicContact CE-CG 4.31Å; M66-I99 HydrophobicContact SD-CD1 3.97Å; M66-V104 HydrophobicContact CG-CG1 3.28Å; M66-V104 HydrophobicContact SD-CG1 3.85Å; M66-C105 WeakPolarHBondContact CA-O 3.5Å; M66-L106 HydrophobicContact CB-CD2 3.77Å; M66-L106 HydrophobicContact CG-CD2 3.76Å; M66-L106 HydrophobicContact SD-CD2 4.33Å; M66-L280 HydrophobicContact CE-CD1 3.76Å; M66-L280 HydrophobicContact SD-CD1 4.04Å
67	K	87	Confident	80.5	Confident	26 Å²	26	52 Å²	52	11%	0.113	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	120.5	177.9	-173.4	177.8	-178.2	-176.7	0	109.2	V52 H75 E78 V104 C105 D352	V52-K67 HydrophobicContact CG2-CB 4.41Å; V52-K67 HydrophobicContact CG2-CG 4.22Å; K67-H75 PolarHBondContact O-CE1 2.97Å; K67-H75 PolarHBondContact O-NE2 3.4Å; K67-E78 IonicContact NZ-OE1 3.91Å; K67-E78 PolarHBondContact NZ-OE1 3.37Å; K67-E78 IonicContact NZ-OE2 2.87Å; K67-E78 PolarHBondContact NZ-OE2 3.41Å; K67-V104 WeakPolarHBondContact O-CG1 3.47Å; K67-C105 PolarHBondContact N-O 3.4Å; K67-D352 IonicContact NZ-OD1 3.73Å; K67-D352 PolarHBondContact NZ-OD1 3.04Å; K67-D352 IonicContact NZ-OD2 2.72Å; K67-D352 PolarHBondContact NZ-OD2 3.4Å
68	L	79.7	Confident	79.7	Confident	42 Å²	42	51.2 Å²	51.2	22%	0.22	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	95	171.6	-65.8	-179.1	0	0	0	108.7	G50 S51 F53 M66 I99 V104	G50-L68 VanDerWaalsContact CA-O 3.28Å; G50-L68 WeakPolarHBondContact CA-O 3.45Å; S51-L68 PolarHBondContact N-O 3.26Å; S51-L68 PolarHBondContact O-N 3.17Å; F53-L68 HydrophobicContact CD2-CD1 3.98Å; F53-L68 HydrophobicContact CD2-CG 4.25Å; F53-L68 HydrophobicContact CE2-CD1 3.6Å; F53-L68 HydrophobicContact CE2-CG 4.16Å; M66-L68 HydrophobicContact CE-CD1 4.34Å; M66-L68 HydrophobicContact CE-CD2 4.41Å; M66-L68 HydrophobicContact CE-CG 4.31Å; L68-I99 HydrophobicContact CD2-CD1 3.98Å; L68-V104 HydrophobicContact CD2-CB 4.23Å; L68-V104 HydrophobicContact CD2-CG1 3.7Å; L68-V104 HydrophobicContact CD2-CG2 3.48Å; L68-V104 VanDerWaalsContact CD2-CG2 3.48Å
69	A	71	Confident	79.1	Confident	13 Å²	13	46.6 Å²	46.6	11%	0.107	25%	0.248	C	C	.	.			trans	-75.4	149	177.2	0	0	0	0	0	113.9	F49 E71 H75 R102	F49-A69 WeakPolarHBondContact O-CA 3.34Å; F49-A69 VanDerWaalsContact O-CB 3.25Å; F49-A69 WeakPolarHBondContact O-CB 3.34Å; A69-E71 VanDerWaalsContact C-N 3.33Å; A69-E71 WeakPolarHBondContact CB-O 3.49Å; A69-H75 WeakPolarHBondContact CB-CD2 3.4Å; A69-H75 WeakPolarHBondContact CB-NE2 3.43Å; A69-H75 PolarHBondContact N-CE1 2.99Å; A69-H75 PolarHBondContact N-NE2 3.13Å; A69-R102 PolarHBondContact O-NH2 3.02Å
70	N	66.7	Low	78.5	Confident	101 Å²	101	43 Å²	43	54%	0.54	22%	0.224	S	C	.	.	S	Bend	trans	-67	-36.8	172.4	-63.3	-24.6	0	0	0	111	Y48 R102	Y48-N70 PolarHBondContact O-ND2 3.46Å; Y48-N70 VanDerWaalsContact O-ND2 3.08Å; N70-R102 PolarHBondContact O-NH1 3.05Å; N70-R102 VanDerWaalsContact O-NH1 3.08Å; N70-R102 PolarHBondContact O-NH2 2.89Å
71	E	65.8	Low	78	Confident	90 Å²	90	39.2 Å²	39.2	42%	0.421	20%	0.2	S	C	.	.			trans	-112	136.7	-179.8	-67	-175.4	-164.1	0	0	112.4	A69 F74	A69-E71 VanDerWaalsContact C-N 3.33Å; A69-E71 WeakPolarHBondContact CB-O 3.49Å; E71-F74 HydrophobicContact CB-CD2 4.08Å; E71-F74 WeakPolarHBondContact OE2-CE2 3.43Å
72	A	65.2	Low	77.4	Confident	46 Å²	46	32.5 Å²	32.5	38%	0.38	17%	0.171	S	C	.	.	H	α-helix	trans	-77.3	-28.8	-175.1	0	0	0	0	0	113.4	H75 H76	A72-H75 PolarHBondContact O-N 3.5Å; A72-H76 PolarHBondContact O-CD2 3.2Å; A72-H76 PolarHBondContact O-N 3.3Å
73	S	61.7	Low	76.8	Confident	72 Å²	72	32.1 Å²	32.1	50%	0.503	19%	0.187	S	C	.	.	H	α-helix	trans	-59	-50.2	-176.5	45.4	0	0	0	0	112.8	H75 H76	S73-H75 VanDerWaalsContact C-N 3.31Å; S73-H75 PolarHBondContact O-N 3.11Å; S73-H76 PolarHBondContact O-N 3.1Å
74	F	59.4	Low	76.1	Confident	61 Å²	61	32.8 Å²	32.8	27%	0.268	20%	0.196	S	C	.	.	H	α-helix	trans	-63.6	-35.2	-178.3	-66.5	-62.7	0	0	0	112.9	E71 R77 E78 L355	E71-F74 HydrophobicContact CB-CD2 4.08Å; E71-F74 WeakPolarHBondContact OE2-CE2 3.43Å; F74-R77 PolarHBondContact O-N 2.94Å; F74-E78 WeakPolarHBondContact O-CB 3.37Å; F74-E78 PolarHBondContact O-N 3.38Å; F74-L355 HydrophobicContact CD1-CD2 4.14Å; F74-L355 HydrophobicContact CE1-CD2 3.53Å; F74-L355 HydrophobicContact CZ-CD2 4.28Å
75	H	66.4	Low	75.9	Confident	4 Å²	4	33.3 Å²	33.3	2%	0.019	20%	0.198	C	C	.	.	H	α-helix	trans	-64.1	-42.7	177.8	-95	-157	0	0	0	113.4	K67 A69 A72 S73 R77 E78 I79 F103	K67-H75 PolarHBondContact O-CE1 2.97Å; K67-H75 PolarHBondContact O-NE2 3.4Å; A69-H75 WeakPolarHBondContact CB-CD2 3.4Å; A69-H75 WeakPolarHBondContact CB-NE2 3.43Å; A69-H75 PolarHBondContact N-CE1 2.99Å; A69-H75 PolarHBondContact N-NE2 3.13Å; A72-H75 PolarHBondContact O-N 3.5Å; S73-H75 VanDerWaalsContact C-N 3.31Å; S73-H75 PolarHBondContact O-N 3.11Å; H75-R77 VanDerWaalsContact C-N 3.26Å; H75-R77 PolarHBondContact O-N 3.38Å; H75-E78 PolarHBondContact O-N 3.46Å; H75-I79 WeakPolarHBondContact O-CB 3.27Å; H75-I79 WeakPolarHBondContact O-CD1 3.36Å; H75-I79 VanDerWaalsContact O-CG1 3.25Å; H75-I79 WeakPolarHBondContact O-CG1 3.34Å; H75-I79 PolarHBondContact O-N 3.39Å; H75-F103 PolarHBondContact ND1-O 3.35Å
76	H	72.9	Confident	75.7	Confident	43 Å²	43	38.2 Å²	38.2	20%	0.199	22%	0.224	C	C	.	.	H	α-helix	trans	-60.5	-41.9	179.3	-70.8	-62.7	0	0	0	111	A24 A72 S73 E80 F103	A24-H76 HydrophobicContact CB-CB 4.11Å; A72-H76 PolarHBondContact O-CD2 3.2Å; A72-H76 PolarHBondContact O-N 3.3Å; S73-H76 PolarHBondContact O-N 3.1Å; H76-E80 WeakPolarHBondContact O-CB 3.41Å; H76-E80 PolarHBondContact O-N 3.36Å; H76-F103 AromaticContact CE1-CD2 3.6Å
77	R	72.3	Confident	75.9	Confident	44 Å²	44	40.8 Å²	40.8	17%	0.166	24%	0.235	C	C	.	.	H	α-helix	trans	-66.7	-46.3	178.7	-173.5	54	168.7	-162	-6.6	112.4	F74 H75 I79 E80 L81 Q361	F74-R77 PolarHBondContact O-N 2.94Å; H75-R77 VanDerWaalsContact C-N 3.26Å; H75-R77 PolarHBondContact O-N 3.38Å; R77-I79 VanDerWaalsContact C-N 3.33Å; R77-I79 PolarHBondContact O-N 3.12Å; R77-E80 IonicContact CZ-OE2 2.67Å; R77-E80 IonicContact NH1-OE1 3.66Å; R77-E80 IonicContact NH1-OE2 2.63Å; R77-E80 PolarHBondContact NH1-OE2 3.44Å; R77-E80 WeakPolarHBondContact O-CB 3.34Å; R77-E80 PolarHBondContact O-N 3.17Å; R77-L81 HydrophobicContact CG-CD1 4.06Å; R77-L81 HydrophobicContact CG-CG 4.43Å; R77-L81 WeakPolarHBondContact O-CG 3.49Å; R77-L81 PolarHBondContact O-N 3.13Å; R77-Q361 VanDerWaalsContact NH1-CD 3.33Å; R77-Q361 VanDerWaalsContact NH2-OE1 3.1Å
78	E	76.2	Confident	76.3	Confident	5 Å²	5	44.6 Å²	44.6	2%	0.023	26%	0.256	C	S	.	.	H	α-helix	trans	-59.2	-44.4	178.6	-174.5	169.1	-166.5	0	0	111.4	K67 F74 H75 L81 L82	K67-E78 IonicContact NZ-OE1 3.91Å; K67-E78 PolarHBondContact NZ-OE1 3.37Å; K67-E78 IonicContact NZ-OE2 2.87Å; K67-E78 PolarHBondContact NZ-OE2 3.41Å; F74-E78 WeakPolarHBondContact O-CB 3.37Å; F74-E78 PolarHBondContact O-N 3.38Å; H75-E78 PolarHBondContact O-N 3.46Å; E78-L81 PolarHBondContact O-N 3.19Å; E78-L82 HydrophobicContact CG-CD1 3.63Å; E78-L82 HydrophobicContact CG-CG 4.27Å; E78-L82 VanDerWaalsContact O-CB 3.29Å; E78-L82 WeakPolarHBondContact O-CB 3.29Å; E78-L82 WeakPolarHBondContact O-CG 3.48Å; E78-L82 PolarHBondContact O-N 2.82Å
79	I	75.8	Confident	77.2	Confident	3 Å²	3	43 Å²	43	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-63.4	-42.3	176	-67	164.8	0	0	0	111.5	A28 H75 R77 G83 L93 F103 C105	A28-I79 HydrophobicContact CB-CG2 3.57Å; H75-I79 WeakPolarHBondContact O-CB 3.27Å; H75-I79 WeakPolarHBondContact O-CD1 3.36Å; H75-I79 VanDerWaalsContact O-CG1 3.25Å; H75-I79 WeakPolarHBondContact O-CG1 3.34Å; H75-I79 PolarHBondContact O-N 3.39Å; R77-I79 VanDerWaalsContact C-N 3.33Å; R77-I79 PolarHBondContact O-N 3.12Å; I79-G83 PolarHBondContact O-N 3.36Å; I79-G83 VanDerWaalsContact O-N 3.11Å; I79-L93 HydrophobicContact CG2-CD2 4.16Å; I79-L93 WeakPolarHBondContact O-CD2 3.37Å; I79-F103 HydrophobicContact CD1-CB 4.01Å; I79-C105 HydrophobicContact CG1-CB 4.22Å
80	E	78.3	Confident	78.4	Confident	6 Å²	6	42.4 Å²	42.4	3%	0.028	24%	0.243	C	C	.	.	H	α-helix	trans	-61.5	-44.2	-179.8	-171.2	-161.9	166.9	0	0	112.5	A24 K27 H76 R77 Q361	A24-E80 HydrophobicContact CB-CB 3.89Å; A24-E80 HydrophobicContact CB-CG 4.14Å; K27-E80 HydrophobicContact CD-CG 3.86Å; K27-E80 WeakPolarHBondContact CD-O 3.05Å; K27-E80 PolarHBondContact NZ-O 3.07Å; K27-E80 VanDerWaalsContact NZ-O 3.09Å; H76-E80 WeakPolarHBondContact O-CB 3.41Å; H76-E80 PolarHBondContact O-N 3.36Å; R77-E80 IonicContact CZ-OE2 2.67Å; R77-E80 IonicContact NH1-OE1 3.66Å; R77-E80 IonicContact NH1-OE2 2.63Å; R77-E80 PolarHBondContact NH1-OE2 3.44Å; R77-E80 WeakPolarHBondContact O-CB 3.34Å; R77-E80 PolarHBondContact O-N 3.17Å; E80-Q361 PolarHBondContact OE1-NE2 3.42Å
81	L	80.4	Confident	79.7	Confident	3 Å²	3	38 Å²	38	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-77.6	-53	-176.4	-66	-178.8	0	0	0	111.2	R77 E78 G83 S84 L150 L353 C356 D358	R77-L81 HydrophobicContact CG-CD1 4.06Å; R77-L81 HydrophobicContact CG-CG 4.43Å; R77-L81 WeakPolarHBondContact O-CG 3.49Å; R77-L81 PolarHBondContact O-N 3.13Å; E78-L81 PolarHBondContact O-N 3.19Å; L81-G83 PolarHBondContact O-N 3.26Å; L81-S84 PolarHBondContact O-N 3.08Å; L81-S84 PolarHBondContact O-OG 2.73Å; L81-L150 HydrophobicContact CD2-CD2 3.86Å; L81-L353 HydrophobicContact CB-CD1 4.48Å; L81-L353 HydrophobicContact CD1-CB 4.46Å; L81-C356 HydrophobicContact CD1-CB 3.61Å; L81-D358 HydrophobicContact CD2-CB 4.39Å
82	L	78.8	Confident	81	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-63	-29.3	-178.3	-68.1	176.3	0	0	0	112.6	E78 S84 L85 L91 L93 T107 L353	E78-L82 HydrophobicContact CG-CD1 3.63Å; E78-L82 HydrophobicContact CG-CG 4.27Å; E78-L82 VanDerWaalsContact O-CB 3.29Å; E78-L82 WeakPolarHBondContact O-CB 3.29Å; E78-L82 WeakPolarHBondContact O-CG 3.48Å; E78-L82 PolarHBondContact O-N 2.82Å; L82-S84 PolarHBondContact O-N 3.11Å; L82-S84 VanDerWaalsContact O-N 3.08Å; L82-L85 HydrophobicContact CD2-CD1 4.44Å; L82-L85 PolarHBondContact O-N 3.24Å; L82-L85 VanDerWaalsContact O-N 3.1Å; L82-L91 WeakPolarHBondContact CD2-O 3.21Å; L82-L93 HydrophobicContact CB-CB 3.54Å; L82-L93 HydrophobicContact CB-CD2 4.12Å; L82-L93 HydrophobicContact CB-CG 4.34Å; L82-L93 HydrophobicContact CD1-CB 4.37Å; L82-T107 HydrophobicContact CD1-CG2 4.27Å; L82-L353 HydrophobicContact CD2-CD1 3.37Å; L82-L353 HydrophobicContact CD2-CG 3.86Å; L82-L353 HydrophobicContact CG-CD1 4.06Å; L82-L353 HydrophobicContact CG-CG 4.44Å
83	G	80.2	Confident	82.2	Confident	54 Å²	54	38.3 Å²	38.3	56%	0.557	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.1	176.1	0	0	0	0	0	114.6	I79 L81	I79-G83 PolarHBondContact O-N 3.36Å; I79-G83 VanDerWaalsContact O-N 3.11Å; L81-G83 PolarHBondContact O-N 3.26Å
84	S	81.6	Confident	83.5	Confident	66 Å²	66	36.3 Å²	36.3	46%	0.462	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-1.8	176.7	63.1	0	0	0	0	114.6	L81 L82	L81-S84 PolarHBondContact O-N 3.08Å; L81-S84 PolarHBondContact O-OG 2.73Å; L82-S84 PolarHBondContact O-N 3.11Å; L82-S84 VanDerWaalsContact O-N 3.08Å
85	L	88.9	Confident	84.9	Confident	11 Å²	11	33.6 Å²	33.6	6%	0.058	18%	0.179	C	C	.	.			trans	-109	138.2	-174.4	-61.6	170.8	0	0	0	110.5	L82 V90 L145 H148 L150 L353	L82-L85 HydrophobicContact CD2-CD1 4.44Å; L82-L85 PolarHBondContact O-N 3.24Å; L82-L85 VanDerWaalsContact O-N 3.1Å; L85-V90 HydrophobicContact CB-CG1 4.49Å; L85-V90 HydrophobicContact CD1-CG1 4.35Å; L85-L145 HydrophobicContact CD1-CD2 3.53Å; L85-L145 HydrophobicContact CD2-CD2 4.4Å; L85-H148 HydrophobicContact CD2-CB 4.11Å; L85-L150 HydrophobicContact CD1-CD1 3.89Å; L85-L150 HydrophobicContact CD2-CD1 4.08Å; L85-L150 HydrophobicContact CG-CD1 4.42Å; L85-L353 HydrophobicContact CD1-CD1 3.4Å; L85-L353 VanDerWaalsContact CD1-CD1 3.4Å
86	N	90.2	Very high	85.9	Confident	110 Å²	110	33.4 Å²	33.4	59%	0.588	18%	0.178	S	C	*	.			trans	-151.1	100.9	175.3	-177.5	37.8	0	0	0	109.4
87	H	95.8	Very high	86.4	Confident	53 Å²	53	31.4 Å²	31.4	25%	0.245	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-150.9	148.1	-178.3	-174	-97.7	0	0	0	109.8	N89 V90 H144	H87-N89 PolarHBondContact CE1-OD1 2.68Å; H87-N89 VanDerWaalsContact CE1-OD1 3.29Å; H87-N89 PolarHBondContact ND1-N 3.48Å; H87-N89 VanDerWaalsContact ND1-N 3.1Å; H87-N89 PolarHBondContact O-N 3.46Å; H87-V90 HydrophobicContact CB-CB 4.14Å; H87-V90 HydrophobicContact CB-CG2 4.02Å; H87-V90 PolarHBondContact O-N 2.81Å; H87-H144 HydrophobicContact CB-CB 4.1Å; H87-H144 AromaticContact CD2-ND1 3.92Å; H87-H144 AromaticContact CG-CG 3.81Å
88	I	95.9	Very high	86.8	Confident	106 Å²	106	33.2 Å²	33.2	54%	0.544	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-28.6	-175.8	-170.1	169.5	0	0	0	113.2
89	N	98	Very high	86.8	Confident	8 Å²	8	34 Å²	34	4%	0.043	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	18.7	179	-50.1	112.2	0	0	0	114.2	H87 D137 C140 G141 A348 V350	H87-N89 PolarHBondContact CE1-OD1 2.68Å; H87-N89 VanDerWaalsContact CE1-OD1 3.29Å; H87-N89 PolarHBondContact ND1-N 3.48Å; H87-N89 VanDerWaalsContact ND1-N 3.1Å; H87-N89 PolarHBondContact O-N 3.46Å; N89-D137 WeakPolarHBondContact CB-O 3.47Å; N89-D137 VanDerWaalsContact CG-O 3.3Å; N89-D137 WeakPolarHBondContact ND2-CB 3.4Å; N89-D137 PolarHBondContact ND2-OD1 2.84Å; N89-D137 VanDerWaalsContact ND2-OD1 3.09Å; N89-C140 WeakPolarHBondContact OD1-CB 3.48Å; N89-G141 WeakPolarHBondContact O-CA 3.44Å; N89-A348 WeakPolarHBondContact CA-O 3.36Å; N89-A348 WeakPolarHBondContact CB-O 3.25Å; N89-A348 PolarHBondContact ND2-O 3.43Å; N89-A348 VanDerWaalsContact ND2-O 3.09Å; N89-V350 PolarHBondContact O-N 2.88Å
90	V	96	Very high	86.6	Confident	2 Å²	2	36 Å²	36	1%	0.012	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-126	132.7	170.9	179.4	0	0	0	0	108	L85 H87 R92 G141 H144 L145	L85-V90 HydrophobicContact CB-CG1 4.49Å; L85-V90 HydrophobicContact CD1-CG1 4.35Å; H87-V90 HydrophobicContact CB-CB 4.14Å; H87-V90 HydrophobicContact CB-CG2 4.02Å; H87-V90 PolarHBondContact O-N 2.81Å; V90-R92 PolarHBondContact O-N 3.09Å; V90-R92 VanDerWaalsContact O-N 3.13Å; V90-G141 WeakPolarHBondContact CG2-O 3.42Å; V90-H144 HydrophobicContact CG2-CB 4.14Å; V90-L145 HydrophobicContact CG1-CD2 4.22Å; V90-L145 HydrophobicContact CG2-CD2 4.46Å
91	L	94.8	Very high	86.3	Confident	9 Å²	9	39.9 Å²	39.9	5%	0.047	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-57.2	119.3	-176.9	-169.7	72.4	0	0	0	110.8	L82 T107 E108 L161 L349 V350 A351	L82-L91 WeakPolarHBondContact CD2-O 3.21Å; L91-T107 HydrophobicContact CD2-CG2 3.9Å; L91-T107 HydrophobicContact CG-CG2 4.36Å; L91-E108 WeakPolarHBondContact CA-OE1 3.35Å; L91-E108 HydrophobicContact CD1-CG 3.35Å; L91-E108 HydrophobicContact CG-CG 4.09Å; L91-L161 HydrophobicContact CD1-CD1 3.91Å; L91-L161 HydrophobicContact CD2-CD1 4.18Å; L91-L349 HydrophobicContact CD1-CD2 4.3Å; L91-V350 PolarHBondContact N-O 3.16Å; L91-A351 HydrophobicContact CB-CB 3.91Å; L91-A351 HydrophobicContact CD2-CB 3.79Å; L91-A351 HydrophobicContact CG-CB 4.37Å
92	R	92.6	Very high	86	Confident	117 Å²	117	44.4 Å²	44.4	44%	0.442	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-77.9	130.1	-178.3	-176.6	171	178.5	171.6	2.6	111.8	V90 Y94 T107 E108	V90-R92 PolarHBondContact O-N 3.09Å; V90-R92 VanDerWaalsContact O-N 3.13Å; R92-Y94 HydrophobicContact CG-CD1 4.3Å; R92-Y94 HydrophobicContact CG-CE1 4.25Å; R92-T107 CarbonylContact O-C 3.59Å; R92-T107 VanDerWaalsContact O-CA 3.22Å; R92-T107 WeakPolarHBondContact O-CA 3.22Å; R92-T107 WeakPolarHBondContact O-CB 3.5Å; R92-E108 HydrophobicContact CB-CB 4.41Å; R92-E108 HydrophobicContact CB-CG 4.23Å; R92-E108 WeakPolarHBondContact CB-OE1 3.48Å; R92-E108 PolarHBondContact N-OE1 2.82Å; R92-E108 PolarHBondContact O-N 2.81Å
93	L	90.4	Very high	85.9	Confident	24 Å²	24	45.9 Å²	45.9	13%	0.126	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	127.6	163	-178.8	73.9	0	0	0	110	I79 L82 G95 C105 T107	I79-L93 HydrophobicContact CG2-CD2 4.16Å; I79-L93 WeakPolarHBondContact O-CD2 3.37Å; L82-L93 HydrophobicContact CB-CB 3.54Å; L82-L93 HydrophobicContact CB-CD2 4.12Å; L82-L93 HydrophobicContact CB-CG 4.34Å; L82-L93 HydrophobicContact CD1-CB 4.37Å; L93-G95 VanDerWaalsContact CD1-O 3.23Å; L93-G95 WeakPolarHBondContact CD1-O 3.27Å; L93-C105 WeakPolarHBondContact CD1-SG 3.39Å; L93-T107 HydrophobicContact CD1-CG2 4.27Å
94	Y	89.5	Confident	86	Confident	31 Å²	31	43.5 Å²	43.5	12%	0.122	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-32.4	168.9	-65.2	-42.3	0	0	0	112.4	M64 R92 L106 E108	M64-Y94 HydrophobicContact CB-CD2 4.26Å; M64-Y94 HydrophobicContact CG-CD2 3.56Å; M64-Y94 HydrophobicContact CG-CE2 3.79Å; M64-Y94 HydrophobicContact SD-CD2 3.59Å; M64-Y94 VanDerWaalsContact SD-CD2 3.59Å; M64-Y94 HydrophobicContact SD-CE2 4.36Å; M64-Y94 HydrophobicContact SD-CG 4.31Å; R92-Y94 HydrophobicContact CG-CD1 4.3Å; R92-Y94 HydrophobicContact CG-CE1 4.25Å; Y94-L106 WeakPolarHBondContact CB-O 3.29Å; Y94-L106 PolarHBondContact N-O 3.2Å; Y94-E108 VanDerWaalsContact CE2-CA 3.42Å; Y94-E108 HydrophobicContact CE2-CB 3.95Å; Y94-E108 WeakPolarHBondContact OH-CB 3.48Å
95	G	88.3	Confident	86.2	Confident	4 Å²	4	40.4 Å²	40.4	4%	0.041	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165	-160.1	177.5	0	0	0	0	0	112	H31 L93 L106	H31-G95 CarbonylContact O-C 3.57Å; H31-G95 VanDerWaalsContact O-CA 3.23Å; H31-G95 WeakPolarHBondContact O-CA 3.48Å; L93-G95 VanDerWaalsContact CD1-O 3.23Å; L93-G95 WeakPolarHBondContact CD1-O 3.27Å; G95-L106 PolarHBondContact N-O 3.04Å; G95-L106 PolarHBondContact O-N 2.95Å
96	S	86.4	Confident	86.3	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	163.1	174.6	71.2	0	0	0	0	111.2	A28 H31 L32 Y33 V104	A28-S96 PolarHBondContact O-OG 3.41Å; H31-S96 PolarHBondContact O-N 3.22Å; L32-S96 CarbonylContact C-O 3.55Å; L32-S96 WeakPolarHBondContact CA-O 3.48Å; L32-S96 WeakPolarHBondContact CD2-OG 3.39Å; Y33-S96 PolarHBondContact N-O 3.3Å; S96-V104 CarbonylContact C-O 3.57Å; S96-V104 WeakPolarHBondContact CA-O 3.45Å; S96-V104 WeakPolarHBondContact CB-O 3.46Å
97	C	84.3	Confident	86.4	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	152.8	164.7	61.5	0	0	0	0	109.5	F103 V104 L106	C97-F103 WeakPolarHBondContact O-CA 3.42Å; C97-V104 PolarHBondContact N-O 3.38Å; C97-V104 PolarHBondContact O-N 3.29Å; C97-L106 HydrophobicContact CB-CD1 4.27Å
98	L	79.8	Confident	86.3	Confident	82 Å²	82	33.2 Å²	33.2	43%	0.429	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	120.4	173.6	-174	67.2	0	0	0	108.7	F103	L98-F103 HydrophobicContact CD1-CD2 4.2Å; L98-F103 HydrophobicContact CD1-CE2 4.22Å; L98-F103 HydrophobicContact CD1-CG 4.41Å; L98-F103 HydrophobicContact CD1-CZ 4.41Å
99	I	76	Confident	86.2	Confident	21 Å²	21	30.2 Å²	30.2	11%	0.108	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	108	179.7	-65.3	-165.9	0	0	0	108.4	M66 L68 A101 R102 V104 L280 L284	M66-I99 HydrophobicContact SD-CD1 3.97Å; L68-I99 HydrophobicContact CD2-CD1 3.98Å; I99-A101 PolarHBondContact O-N 2.85Å; I99-A101 VanDerWaalsContact O-N 3.08Å; I99-R102 PolarHBondContact N-O 3.41Å; I99-R102 PolarHBondContact O-N 2.76Å; I99-V104 HydrophobicContact CB-CG2 3.94Å; I99-V104 HydrophobicContact CD1-CB 4.03Å; I99-V104 HydrophobicContact CD1-CG1 4.03Å; I99-V104 HydrophobicContact CD1-CG2 3.85Å; I99-V104 HydrophobicContact CG1-CB 4.21Å; I99-V104 HydrophobicContact CG1-CG2 3.93Å; I99-L280 HydrophobicContact CD1-CD1 3.8Å; I99-L280 HydrophobicContact CD1-CD2 3.37Å; I99-L280 HydrophobicContact CD1-CG 4.03Å; I99-L280 HydrophobicContact CG1-CD2 3.77Å; I99-L284 HydrophobicContact CB-CD1 4.48Å; I99-L284 HydrophobicContact CB-CD2 4.35Å; I99-L284 HydrophobicContact CD1-CD2 4.42Å; I99-L284 HydrophobicContact CG2-CD1 3.9Å; I99-L284 HydrophobicContact CG2-CD2 3.16Å; I99-L284 HydrophobicContact CG2-CG 4.08Å
100	G	73.1	Confident	86.1	Confident	45 Å²	45	30.3 Å²	30.3	46%	0.464	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	-113.2	-167.6	0	0	0	0	0	109.7
101	A	71.8	Confident	85.9	Confident	88 Å²	88	31.2 Å²	31.2	73%	0.727	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.9	14.8	174.9	0	0	0	0	0	113.9	I99	I99-A101 PolarHBondContact O-N 2.85Å; I99-A101 VanDerWaalsContact O-N 3.08Å
102	R	73.4	Confident	85.8	Confident	99 Å²	99	30.8 Å²	30.8	37%	0.374	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	131.3	-172.7	-57.9	-175.4	71.4	144.9	4	111.5	A69 N70 I99	A69-R102 PolarHBondContact O-NH2 3.02Å; N70-R102 PolarHBondContact O-NH1 3.05Å; N70-R102 VanDerWaalsContact O-NH1 3.08Å; N70-R102 PolarHBondContact O-NH2 2.89Å; I99-R102 PolarHBondContact N-O 3.41Å; I99-R102 PolarHBondContact O-N 2.76Å
103	F	77.5	Confident	85.8	Confident	34 Å²	34	26.4 Å²	26.4	15%	0.149	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	136.9	169.2	-73.8	-89.9	0	0	0	110.1	I25 A28 V29 L32 H75 H76 I79 C97 L98	I25-F103 HydrophobicContact CG1-CE2 4.48Å; I25-F103 HydrophobicContact CG2-CE2 4.42Å; I25-F103 HydrophobicContact CG2-CZ 4.26Å; A28-F103 HydrophobicContact CB-CD1 3.98Å; A28-F103 HydrophobicContact CB-CE1 4.07Å; V29-F103 HydrophobicContact CG2-CE1 4.28Å; V29-F103 HydrophobicContact CG2-CZ 4.2Å; L32-F103 HydrophobicContact CD2-CD1 4.42Å; L32-F103 HydrophobicContact CD2-CE1 4.04Å; H75-F103 PolarHBondContact ND1-O 3.35Å; H76-F103 AromaticContact CE1-CD2 3.6Å; I79-F103 HydrophobicContact CD1-CB 4.01Å; C97-F103 WeakPolarHBondContact O-CA 3.42Å; L98-F103 HydrophobicContact CD1-CD2 4.2Å; L98-F103 HydrophobicContact CD1-CE2 4.22Å; L98-F103 HydrophobicContact CD1-CG 4.41Å; L98-F103 HydrophobicContact CD1-CZ 4.41Å
104	V	81.9	Confident	86	Confident	4 Å²	4	26.9 Å²	26.9	2%	0.024	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	132.4	-175.9	168.2	0	0	0	0	108.1	M66 K67 L68 S96 C97 I99	M66-V104 HydrophobicContact CG-CG1 3.28Å; M66-V104 HydrophobicContact SD-CG1 3.85Å; K67-V104 WeakPolarHBondContact O-CG1 3.47Å; L68-V104 HydrophobicContact CD2-CB 4.23Å; L68-V104 HydrophobicContact CD2-CG1 3.7Å; L68-V104 HydrophobicContact CD2-CG2 3.48Å; L68-V104 VanDerWaalsContact CD2-CG2 3.48Å; S96-V104 CarbonylContact C-O 3.57Å; S96-V104 WeakPolarHBondContact CA-O 3.45Å; S96-V104 WeakPolarHBondContact CB-O 3.46Å; C97-V104 PolarHBondContact N-O 3.38Å; C97-V104 PolarHBondContact O-N 3.29Å; I99-V104 HydrophobicContact CB-CG2 3.94Å; I99-V104 HydrophobicContact CD1-CB 4.03Å; I99-V104 HydrophobicContact CD1-CG1 4.03Å; I99-V104 HydrophobicContact CD1-CG2 3.85Å; I99-V104 HydrophobicContact CG1-CB 4.21Å; I99-V104 HydrophobicContact CG1-CG2 3.93Å
105	C	86.3	Confident	86.3	Confident	1 Å²	1	25.4 Å²	25.4	1%	0.007	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	132.2	-174.2	-172.3	0	0	0	0	110.2	M66 K67 I79 L93 T107	M66-C105 WeakPolarHBondContact CA-O 3.5Å; K67-C105 PolarHBondContact N-O 3.4Å; I79-C105 HydrophobicContact CG1-CB 4.22Å; L93-C105 WeakPolarHBondContact CD1-SG 3.39Å; C105-T107 VanDerWaalsContact SG-CG2 3.52Å
106	L	89.9	Confident	86.6	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	107.3	173.4	-65.3	173.6	0	0	0	109	Y33 I38 V55 M64 A65 M66 Y94 G95 C97	Y33-L106 HydrophobicContact CD1-CD1 4.34Å; Y33-L106 HydrophobicContact CD2-CD1 3.72Å; Y33-L106 HydrophobicContact CE2-CD1 4.49Å; Y33-L106 HydrophobicContact CG-CD1 3.63Å; I38-L106 HydrophobicContact CD1-CD1 3.97Å; I38-L106 HydrophobicContact CG1-CD1 4.36Å; V55-L106 HydrophobicContact CG2-CD2 4Å; M64-L106 HydrophobicContact CE-CB 4.5Å; M64-L106 HydrophobicContact CE-CD1 3.98Å; M64-L106 HydrophobicContact CE-CD2 4.25Å; M64-L106 HydrophobicContact CE-CG 4.49Å; M64-L106 HydrophobicContact SD-CB 4.33Å; A65-L106 WeakPolarHBondContact O-CA 3.48Å; M66-L106 HydrophobicContact CB-CD2 3.77Å; M66-L106 HydrophobicContact CG-CD2 3.76Å; M66-L106 HydrophobicContact SD-CD2 4.33Å; Y94-L106 WeakPolarHBondContact CB-O 3.29Å; Y94-L106 PolarHBondContact N-O 3.2Å; G95-L106 PolarHBondContact N-O 3.04Å; G95-L106 PolarHBondContact O-N 2.95Å; C97-L106 HydrophobicContact CB-CD1 4.27Å
107	T	93	Very high	86.9	Confident	10 Å²	10	27.5 Å²	27.5	6%	0.061	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	171.8	-178.9	58.7	0	0	0	0	111.4	M64 A65 L82 L91 R92 L93 C105	M64-T107 CarbonylContact C-O 3.56Å; M64-T107 VanDerWaalsContact CA-O 3.31Å; M64-T107 WeakPolarHBondContact CA-O 3.29Å; M64-T107 WeakPolarHBondContact CB-O 3.37Å; A65-T107 PolarHBondContact N-O 3.22Å; A65-T107 PolarHBondContact O-N 3.44Å; A65-T107 PolarHBondContact O-OG1 2.89Å; L82-T107 HydrophobicContact CD1-CG2 4.27Å; L91-T107 HydrophobicContact CD2-CG2 3.9Å; L91-T107 HydrophobicContact CG-CG2 4.36Å; R92-T107 CarbonylContact O-C 3.59Å; R92-T107 VanDerWaalsContact O-CA 3.22Å; R92-T107 WeakPolarHBondContact O-CA 3.22Å; R92-T107 WeakPolarHBondContact O-CB 3.5Å; L93-T107 HydrophobicContact CD1-CG2 4.27Å; C105-T107 VanDerWaalsContact SG-CG2 3.52Å
108	E	93.8	Very high	87.3	Confident	12 Å²	12	27.5 Å²	27.5	6%	0.056	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	147.7	165.8	68.8	173.4	126.9	0	0	112.5	L91 R92 Y94 R163 L349	L91-E108 WeakPolarHBondContact CA-OE1 3.35Å; L91-E108 HydrophobicContact CD1-CG 3.35Å; L91-E108 HydrophobicContact CG-CG 4.09Å; R92-E108 HydrophobicContact CB-CB 4.41Å; R92-E108 HydrophobicContact CB-CG 4.23Å; R92-E108 WeakPolarHBondContact CB-OE1 3.48Å; R92-E108 PolarHBondContact N-OE1 2.82Å; R92-E108 PolarHBondContact O-N 2.81Å; Y94-E108 VanDerWaalsContact CE2-CA 3.42Å; Y94-E108 HydrophobicContact CE2-CB 3.95Å; Y94-E108 WeakPolarHBondContact OH-CB 3.48Å; E108-R163 IonicContact OE1-NH2 3.83Å; E108-R163 IonicContact OE2-CZ 3.73Å; E108-R163 IonicContact OE2-NE 2.66Å; E108-R163 IonicContact OE2-NH2 2.76Å; E108-R163 PolarHBondContact OE2-NH2 2.77Å; E108-L349 HydrophobicContact CG-CD2 4.42Å; E108-L349 WeakPolarHBondContact OE1-CD2 3.24Å
109	Y	94.5	Very high	87.9	Confident	44 Å²	44	23.8 Å²	23.8	17%	0.173	16%	0.158	C	C	.	.			trans	-91.3	108.1	175.8	171.2	-128.6	0	0	0	110.9	L44 L54 L63 N111	L44-Y109 HydrophobicContact CD1-CD2 3.7Å; L44-Y109 HydrophobicContact CD1-CE2 3.74Å; L44-Y109 HydrophobicContact CD2-CD2 4.29Å; L44-Y109 HydrophobicContact CD2-CE2 3.48Å; L44-Y109 VanDerWaalsContact CD2-CE2 3.48Å; L44-Y109 HydrophobicContact CG-CE2 4.28Å; L54-Y109 HydrophobicContact CD1-CD1 3.53Å; L54-Y109 HydrophobicContact CD1-CD2 3.68Å; L54-Y109 HydrophobicContact CD1-CE1 3.83Å; L54-Y109 HydrophobicContact CD1-CE2 3.99Å; L54-Y109 HydrophobicContact CD1-CG 3.43Å; L54-Y109 VanDerWaalsContact CD1-CG 3.43Å; L54-Y109 HydrophobicContact CD2-CE1 4.34Å; L63-Y109 HydrophobicContact CB-CD1 4.36Å; L63-Y109 HydrophobicContact CD1-CD1 4.46Å; Y109-N111 HydrophobicContact CD1-CB 4.44Å; Y109-N111 HydrophobicContact CE1-CB 3.83Å; Y109-N111 PolarHBondContact O-N 3.17Å
110	A	94.3	Very high	88.6	Confident	9 Å²	9	26.1 Å²	26.1	7%	0.074	18%	0.18	C	C	.	.			trans	-83.2	102.4	169.1	0	0	0	0	0	110.4	G112 G113 L161 I162	A110-G112 PolarHBondContact O-N 2.91Å; A110-G113 PolarHBondContact O-N 2.87Å; A110-L161 HydrophobicContact CB-CB 3.56Å; A110-L161 HydrophobicContact CB-CD1 4.03Å; A110-L161 HydrophobicContact CB-CG 4.42Å; A110-I162 CarbonylContact C-O 3.52Å
111	N	92.7	Very high	89.3	Confident	21 Å²	21	24.8 Å²	24.8	11%	0.112	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-9.9	-173.6	59.1	-28.1	0	0	0	115.9	Y109 R163 V164 Q316	Y109-N111 HydrophobicContact CD1-CB 4.44Å; Y109-N111 HydrophobicContact CE1-CB 3.83Å; Y109-N111 PolarHBondContact O-N 3.17Å; N111-R163 VanDerWaalsContact OD1-CA 3.3Å; N111-R163 WeakPolarHBondContact OD1-CA 3.43Å; N111-V164 PolarHBondContact ND2-O 3.49Å; N111-V164 PolarHBondContact OD1-N 3.15Å; N111-Q316 HydrophobicContact CB-CB 4.37Å; N111-Q316 PolarHBondContact ND2-OE1 2.82Å; N111-Q316 WeakPolarHBondContact O-CB 3.37Å; N111-Q316 PolarHBondContact O-N 2.89Å
112	G	92.1	Very high	89.9	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	3.1	179.4	0	0	0	0	0	115.1	A110 I162 W317	A110-G112 PolarHBondContact O-N 2.91Å; G112-I162 WeakPolarHBondContact CA-O 3.5Å; G112-I162 PolarHBondContact N-O 2.99Å; G112-W317 PolarHBondContact O-NE1 2.87Å
113	G	92.7	Very high	90.3	Very high	26 Å²	26	25.8 Å²	25.8	27%	0.268	17%	0.173	S	C	.	.			trans	65.2	-151.7	-173.7	0	0	0	0	0	111.8	A110 L161 I162	A110-G113 PolarHBondContact O-N 2.87Å; G113-L161 CarbonylContact O-C 3.59Å; G113-L161 WeakPolarHBondContact O-CA 3.37Å; G113-I162 PolarHBondContact O-N 2.58Å
114	S	94.6	Very high	90.6	Very high	34 Å²	34	24.9 Å²	24.9	24%	0.238	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-89.8	157.8	179.5	65	0	0	0	0	113.2	A116 G117 L118 Q158 I160	S114-A116 PolarHBondContact O-N 2.98Å; S114-G117 PolarHBondContact O-N 3.25Å; S114-G117 VanDerWaalsContact O-N 3.13Å; S114-G117 PolarHBondContact OG-N 2.9Å; S114-L118 PolarHBondContact O-N 3.06Å; S114-Q158 WeakPolarHBondContact CB-O 3.47Å; S114-I160 CarbonylContact C-O 3.56Å; S114-I160 VanDerWaalsContact CA-O 3.25Å; S114-I160 WeakPolarHBondContact CA-O 3.42Å
115	L	95.9	Very high	90.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58.7	-38.5	172.5	176.6	63.5	0	0	0	111.2	G117 L118 L119 L134 I138 S157 I160 I162 L399 L403	L115-G117 VanDerWaalsContact C-N 3.3Å; L115-G117 PolarHBondContact O-N 3.47Å; L115-L118 HydrophobicContact CD1-CD2 4.38Å; L115-L118 WeakPolarHBondContact O-CB 3.41Å; L115-L118 PolarHBondContact O-N 3Å; L115-L118 VanDerWaalsContact O-N 3.15Å; L115-L119 HydrophobicContact CD1-CD1 4.09Å; L115-L119 HydrophobicContact CD1-CD2 4.36Å; L115-L119 HydrophobicContact CD1-CG 3.9Å; L115-L119 HydrophobicContact CD2-CD1 4.44Å; L115-L119 HydrophobicContact CG-CD1 3.91Å; L115-L119 HydrophobicContact CG-CG 4.15Å; L115-L119 WeakPolarHBondContact O-CB 3.47Å; L115-L119 WeakPolarHBondContact O-CG 3.47Å; L115-L119 PolarHBondContact O-N 3.43Å; L115-L134 HydrophobicContact CD1-CD1 4.11Å; L115-I138 HydrophobicContact CD2-CD1 3.93Å; L115-S157 WeakPolarHBondContact CB-O 3.33Å; L115-S157 PolarHBondContact N-O 3.13Å; L115-I160 HydrophobicContact CB-CB 3.82Å; L115-I160 HydrophobicContact CB-CG2 3.93Å; L115-I160 HydrophobicContact CD2-CB 4.21Å; L115-I160 HydrophobicContact CD2-CG1 4.41Å; L115-I160 HydrophobicContact CD2-CG2 4.2Å; L115-I160 PolarHBondContact N-O 3.04Å; L115-I162 HydrophobicContact CB-CD1 4.15Å; L115-I162 HydrophobicContact CB-CG1 4.45Å; L115-I162 HydrophobicContact CD1-CD1 4.19Å; L115-L399 HydrophobicContact CD2-CD2 4.26Å; L115-L403 HydrophobicContact CD1-CD2 4.04Å; L115-L403 HydrophobicContact CD2-CD2 4.45Å
116	A	94.7	Very high	90.9	Very high	18 Å²	18	28.2 Å²	28.2	15%	0.149	19%	0.193	C	C	.	.	H	α-helix	trans	-54.6	-47.1	174.2	0	0	0	0	0	111.4	S114 L119 A120 S157 Q158	S114-A116 PolarHBondContact O-N 2.98Å; A116-L119 PolarHBondContact O-N 2.91Å; A116-A120 WeakPolarHBondContact O-CB 3.34Å; A116-A120 PolarHBondContact O-N 2.94Å; A116-S157 WeakPolarHBondContact CB-OG 3.27Å; A116-S157 PolarHBondContact N-O 3.1Å; A116-Q158 HydrophobicContact CB-CG 3.89Å
117	G	92.2	Very high	90.9	Very high	30 Å²	30	30.9 Å²	30.9	31%	0.309	21%	0.211	S	C	.	.	H	α-helix	trans	-64.1	-40.9	176.8	0	0	0	0	0	112.9	S114 L115 A121	S114-G117 PolarHBondContact O-N 3.25Å; S114-G117 VanDerWaalsContact O-N 3.13Å; S114-G117 PolarHBondContact OG-N 2.9Å; L115-G117 VanDerWaalsContact C-N 3.3Å; L115-G117 PolarHBondContact O-N 3.47Å; G117-A121 PolarHBondContact O-N 3.5Å
118	L	92.5	Very high	91	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.1	-43.2	176.6	-175.2	69.3	0	0	0	112	S114 L115 A121 L124 L126 L134 I162 W317 F346	S114-L118 PolarHBondContact O-N 3.06Å; L115-L118 HydrophobicContact CD1-CD2 4.38Å; L115-L118 WeakPolarHBondContact O-CB 3.41Å; L115-L118 PolarHBondContact O-N 3Å; L115-L118 VanDerWaalsContact O-N 3.15Å; L118-A121 WeakPolarHBondContact O-CB 3.39Å; L118-A121 PolarHBondContact O-N 3.1Å; L118-L124 HydrophobicContact CD1-CD2 3.48Å; L118-L124 VanDerWaalsContact CD1-CD2 3.48Å; L118-L126 HydrophobicContact CD1-CD2 4.5Å; L118-L126 HydrophobicContact CD2-CD1 4.49Å; L118-L126 HydrophobicContact CD2-CD2 4.49Å; L118-L126 HydrophobicContact CG-CD1 4.2Å; L118-L126 HydrophobicContact CG-CD2 4.44Å; L118-L134 HydrophobicContact CD2-CD1 4.07Å; L118-I162 HydrophobicContact CD2-CD1 4.25Å; L118-I162 HydrophobicContact CD2-CG1 4.11Å; L118-I162 HydrophobicContact CD2-CG2 4.33Å; L118-W317 HydrophobicContact CD1-CD2 4.07Å; L118-W317 HydrophobicContact CD1-CG 4.04Å; L118-F346 HydrophobicContact CD1-CD1 4.33Å; L118-F346 HydrophobicContact CD1-CE1 3.87Å; L118-F346 HydrophobicContact CD1-CZ 4.4Å; L118-F346 HydrophobicContact CD2-CD1 4.18Å; L118-F346 HydrophobicContact CD2-CE1 4.49Å
119	L	92.9	Very high	90.9	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-69	-37.6	180	-70.3	178.4	0	0	0	112.4	L115 A116 A121 L126 E402 L403 R406	L115-L119 HydrophobicContact CD1-CD1 4.09Å; L115-L119 HydrophobicContact CD1-CD2 4.36Å; L115-L119 HydrophobicContact CD1-CG 3.9Å; L115-L119 HydrophobicContact CD2-CD1 4.44Å; L115-L119 HydrophobicContact CG-CD1 3.91Å; L115-L119 HydrophobicContact CG-CG 4.15Å; L115-L119 WeakPolarHBondContact O-CB 3.47Å; L115-L119 WeakPolarHBondContact O-CG 3.47Å; L115-L119 PolarHBondContact O-N 3.43Å; A116-L119 PolarHBondContact O-N 2.91Å; L119-A121 PolarHBondContact O-N 3.28Å; L119-L126 HydrophobicContact CD2-CD1 3.92Å; L119-E402 HydrophobicContact CD1-CB 3.81Å; L119-L403 HydrophobicContact CD2-CD2 4.26Å; L119-R406 HydrophobicContact CD2-CG 4.26Å; L119-R406 PolarHBondContact O-NH2 3.16Å
120	A	91.3	Very high	90.8	Very high	69 Å²	69	35 Å²	35	57%	0.57	24%	0.241	S	C	*	.	H	α-helix	trans	-62.8	-24.5	175.6	0	0	0	0	0	113.1	A116 K122	A116-A120 WeakPolarHBondContact O-CB 3.34Å; A116-A120 PolarHBondContact O-N 2.94Å; A120-K122 VanDerWaalsContact C-N 3.27Å; A120-K122 PolarHBondContact O-N 3.33Å
121	A	88	Confident	90.9	Very high	18 Å²	18	35.8 Å²	35.8	15%	0.149	24%	0.242	C	C	.	.			trans	-74.5	72.5	178.3	0	0	0	0	0	112.5	G117 L118 L119 A123 L124 W317 R406	G117-A121 PolarHBondContact O-N 3.5Å; L118-A121 WeakPolarHBondContact O-CB 3.39Å; L118-A121 PolarHBondContact O-N 3.1Å; L119-A121 PolarHBondContact O-N 3.28Å; A121-A123 PolarHBondContact O-N 3.25Å; A121-A123 VanDerWaalsContact O-N 3.1Å; A121-L124 HydrophobicContact CB-CB 4.3Å; A121-L124 WeakPolarHBondContact O-CB 3.35Å; A121-L124 PolarHBondContact O-N 3.03Å; A121-W317 HydrophobicContact CB-CE3 4.21Å; A121-W317 HydrophobicContact CB-CH2 3.53Å; A121-W317 HydrophobicContact CB-CZ3 3.31Å; A121-R406 PolarHBondContact O-NH2 2.9Å
122	K	84.4	Confident	91	Very high	114 Å²	114	35 Å²	35	50%	0.496	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-30.5	-176.2	-61	-58.3	-169.9	171.4	0	114.2	A120 L124 R406	A120-K122 VanDerWaalsContact C-N 3.27Å; A120-K122 PolarHBondContact O-N 3.33Å; K122-L124 VanDerWaalsContact C-N 3.27Å; K122-L124 PolarHBondContact O-N 2.84Å; K122-R406 PolarHBondContact NZ-O 2.78Å
123	A	81.3	Confident	91.2	Very high	93 Å²	93	36.7 Å²	36.7	77%	0.769	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-26.8	176.4	0	0	0	0	0	113.4	A121 S125	A121-A123 PolarHBondContact O-N 3.25Å; A121-A123 VanDerWaalsContact O-N 3.1Å; A123-S125 PolarHBondContact O-N 3.28Å
124	L	84.2	Confident	91.4	Very high	16 Å²	16	35.5 Å²	35.5	8%	0.084	24%	0.237	C	C	.	.	S	Bend	trans	-79.1	117.8	173.5	-173.4	65.3	0	0	0	109.1	L118 A121 K122 L126 W317 I321 F346 R406	L118-L124 HydrophobicContact CD1-CD2 3.48Å; L118-L124 VanDerWaalsContact CD1-CD2 3.48Å; A121-L124 HydrophobicContact CB-CB 4.3Å; A121-L124 WeakPolarHBondContact O-CB 3.35Å; A121-L124 PolarHBondContact O-N 3.03Å; K122-L124 VanDerWaalsContact C-N 3.27Å; K122-L124 PolarHBondContact O-N 2.84Å; L124-L126 HydrophobicContact CD2-CD2 3.94Å; L124-L126 HydrophobicContact CG-CD2 4.15Å; L124-L126 PolarHBondContact O-N 3.19Å; L124-W317 HydrophobicContact CD2-CE3 4.39Å; L124-I321 HydrophobicContact CB-CD1 4.04Å; L124-I321 HydrophobicContact CD1-CD1 4.2Å; L124-I321 HydrophobicContact CD1-CG1 4.21Å; L124-F346 HydrophobicContact CD2-CZ 4.08Å; L124-R406 VanDerWaalsContact O-CZ 3.3Å; L124-R406 PolarHBondContact O-NH1 3.44Å; L124-R406 PolarHBondContact O-NH2 3.44Å; L124-R406 VanDerWaalsContact O-NH2 3.07Å
125	S	83.5	Confident	91.6	Very high	71 Å²	71	33.9 Å²	33.9	50%	0.497	23%	0.226	S	C	.	.			trans	-74.2	110.8	174.3	51.2	0	0	0	0	110.2	A123 S341	A123-S125 PolarHBondContact O-N 3.28Å; S125-S341 VanDerWaalsContact OG-CB 3.27Å; S125-S341 WeakPolarHBondContact OG-CB 3.16Å; S125-S341 PolarHBondContact OG-OG 3.28Å
126	L	89.9	Confident	91.7	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	23%	0.23	C	C	.	.			trans	-98	103	171	-59.7	176.8	0	0	0	108.1	L118 L119 L124 V130 R131 F346	L118-L126 HydrophobicContact CD1-CD2 4.5Å; L118-L126 HydrophobicContact CD2-CD1 4.49Å; L118-L126 HydrophobicContact CD2-CD2 4.49Å; L118-L126 HydrophobicContact CG-CD1 4.2Å; L118-L126 HydrophobicContact CG-CD2 4.44Å; L119-L126 HydrophobicContact CD2-CD1 3.92Å; L124-L126 HydrophobicContact CD2-CD2 3.94Å; L124-L126 HydrophobicContact CG-CD2 4.15Å; L124-L126 PolarHBondContact O-N 3.19Å; L126-V130 HydrophobicContact CD2-CG1 4.15Å; L126-R131 HydrophobicContact CB-CG 4.21Å; L126-R131 VanDerWaalsContact O-CZ 3.32Å; L126-R131 PolarHBondContact O-NE 3.36Å; L126-R131 PolarHBondContact O-NH2 2.88Å; L126-F346 HydrophobicContact CD2-CE2 4.4Å
127	S	91.6	Very high	91.9	Very high	56 Å²	56	35 Å²	35	39%	0.392	23%	0.229	S	C	.	.			trans	-63.5	161.5	174.5	64.5	0	0	0	0	111.1	S129 V130 R131	S127-S129 PolarHBondContact O-N 3.12Å; S127-S129 PolarHBondContact OG-OG 3.21Å; S127-V130 PolarHBondContact O-N 3.47Å; S127-V130 VanDerWaalsContact O-N 3.16Å; S127-V130 WeakPolarHBondContact OG-CG2 3.02Å; S127-V130 PolarHBondContact OG-N 3.16Å; S127-R131 WeakPolarHBondContact O-CG 3.31Å; S127-R131 PolarHBondContact O-N 3.34Å
128	W	93.5	Very high	92.2	Very high	36 Å²	36	33.6 Å²	33.6	14%	0.136	22%	0.215	C	C	.	.	H	α-helix	trans	-58.4	-37.1	174.1	-73.5	108.9	0	0	0	112.9	V130 R131 I132 I404 P430 D432 C433 P434 F437	W128-V130 VanDerWaalsContact C-N 3.31Å; W128-V130 PolarHBondContact O-N 3.44Å; W128-R131 HydrophobicContact CE3-CB 4.49Å; W128-R131 PolarHBondContact O-N 3.15Å; W128-I132 HydrophobicContact CB-CD1 4.29Å; W128-I132 VanDerWaalsContact O-CB 3.31Å; W128-I132 WeakPolarHBondContact O-CB 3.37Å; W128-I132 WeakPolarHBondContact O-CD1 3.46Å; W128-I132 WeakPolarHBondContact O-CG1 3.43Å; W128-I132 PolarHBondContact O-N 3.31Å; W128-I404 HydrophobicContact CH2-CB 4.38Å; W128-I404 HydrophobicContact CH2-CG1 4.3Å; W128-I404 HydrophobicContact CH2-CG2 4.29Å; W128-I404 HydrophobicContact CZ3-CG1 4.17Å; W128-P430 HydrophobicContact CH2-CG 4.13Å; W128-P430 HydrophobicContact CZ2-CG 3.82Å; W128-D432 PolarHBondContact NE1-O 3.26Å; W128-D432 VanDerWaalsContact NE1-O 3.16Å; W128-D432 PolarHBondContact NE1-OD2 2.89Å; W128-C433 HydrophobicContact CH2-CB 3.71Å; W128-C433 VanDerWaalsContact CH2-SG 3.51Å; W128-C433 HydrophobicContact CZ2-CB 3.76Å; W128-P434 HydrophobicContact CB-CG 4.45Å; W128-P434 HydrophobicContact CD2-CG 4.04Å; W128-P434 HydrophobicContact CE3-CG 4.15Å; W128-P434 HydrophobicContact CG-CG 4.15Å; W128-F437 HydrophobicContact CE3-CD1 4.41Å; W128-F437 AromaticContact CZ3-CD1 3.95Å; W128-F437 HydrophobicContact CZ3-CD1 3.95Å; W128-F437 HydrophobicContact CZ3-CE1 4.21Å
129	S	91.8	Very high	92.5	Very high	81 Å²	81	33.6 Å²	33.6	57%	0.566	22%	0.215	S	C	*	.	H	α-helix	trans	-58.5	-42.5	175.9	55.5	0	0	0	0	112.5	S127 S133	S127-S129 PolarHBondContact O-N 3.12Å; S127-S129 PolarHBondContact OG-OG 3.21Å; S129-S133 WeakPolarHBondContact O-CB 3.48Å; S129-S133 PolarHBondContact O-N 3.26Å
130	V	92.9	Very high	92.8	Very high	34 Å²	34	34.6 Å²	34.6	21%	0.206	22%	0.221	C	C	.	.	H	α-helix	trans	-67.1	-47.8	176.6	173	0	0	0	0	110.7	L126 S127 W128 I132 S133 L134 F346	L126-V130 HydrophobicContact CD2-CG1 4.15Å; S127-V130 PolarHBondContact O-N 3.47Å; S127-V130 VanDerWaalsContact O-N 3.16Å; S127-V130 WeakPolarHBondContact OG-CG2 3.02Å; S127-V130 PolarHBondContact OG-N 3.16Å; W128-V130 VanDerWaalsContact C-N 3.31Å; W128-V130 PolarHBondContact O-N 3.44Å; V130-I132 PolarHBondContact O-N 3.19Å; V130-S133 WeakPolarHBondContact O-CB 3.35Å; V130-S133 PolarHBondContact O-N 3Å; V130-S133 VanDerWaalsContact O-N 3.1Å; V130-L134 HydrophobicContact CG1-CD1 4.12Å; V130-L134 HydrophobicContact CG1-CG 4.47Å; V130-L134 WeakPolarHBondContact O-CG 3.49Å; V130-L134 PolarHBondContact O-N 3.1Å; V130-F346 HydrophobicContact CG1-CD2 3.67Å; V130-F346 HydrophobicContact CG1-CE2 4.3Å; V130-F346 HydrophobicContact CG1-CG 4.47Å
131	R	95.7	Very high	93.1	Very high	27 Å²	27	31.3 Å²	31.3	10%	0.102	19%	0.194	C	C	.	.	H	α-helix	trans	-60.4	-44.2	179.9	-64.1	170.4	-165.3	-166	22.8	112.4	L126 S127 W128 S133 L134 A135 L403 I404	L126-R131 HydrophobicContact CB-CG 4.21Å; L126-R131 VanDerWaalsContact O-CZ 3.32Å; L126-R131 PolarHBondContact O-NE 3.36Å; L126-R131 PolarHBondContact O-NH2 2.88Å; S127-R131 WeakPolarHBondContact O-CG 3.31Å; S127-R131 PolarHBondContact O-N 3.34Å; W128-R131 HydrophobicContact CE3-CB 4.49Å; W128-R131 PolarHBondContact O-N 3.15Å; R131-S133 VanDerWaalsContact C-N 3.28Å; R131-S133 PolarHBondContact O-N 3.27Å; R131-L134 PolarHBondContact O-N 3Å; R131-A135 PolarHBondContact O-N 3.09Å; R131-L403 HydrophobicContact CB-CD2 4.49Å; R131-L403 VanDerWaalsContact CD-O 3.29Å; R131-L403 WeakPolarHBondContact CD-O 3.41Å; R131-L403 PolarHBondContact NH1-O 3.07Å; R131-I404 PolarHBondContact NH1-O 2.92Å
132	I	96.3	Very high	93.6	Very high	5 Å²	5	30.4 Å²	30.4	3%	0.026	19%	0.187	C	C	.	.	H	α-helix	trans	-65.4	-35.6	176.6	-67	161.9	0	0	0	110.3	W128 V130 A135 L136 W436 F437 I462 K466	W128-I132 HydrophobicContact CB-CD1 4.29Å; W128-I132 VanDerWaalsContact O-CB 3.31Å; W128-I132 WeakPolarHBondContact O-CB 3.37Å; W128-I132 WeakPolarHBondContact O-CD1 3.46Å; W128-I132 WeakPolarHBondContact O-CG1 3.43Å; W128-I132 PolarHBondContact O-N 3.31Å; V130-I132 PolarHBondContact O-N 3.19Å; I132-A135 PolarHBondContact O-N 2.93Å; I132-L136 PolarHBondContact O-N 2.89Å; I132-W436 HydrophobicContact CD1-CH2 4.44Å; I132-W436 HydrophobicContact CD1-CZ2 3.86Å; I132-W436 HydrophobicContact CG1-CH2 4.44Å; I132-W436 HydrophobicContact CG1-CZ2 4.33Å; I132-W436 HydrophobicContact CG2-CH2 4.05Å; I132-W436 HydrophobicContact CG2-CZ2 4.39Å; I132-F437 HydrophobicContact CB-CE2 4.39Å; I132-F437 HydrophobicContact CG1-CD2 3.88Å; I132-F437 HydrophobicContact CG1-CE2 3.86Å; I132-F437 HydrophobicContact CG1-CG 4.3Å; I132-F437 HydrophobicContact CG1-CZ 4.26Å; I132-I462 HydrophobicContact CG2-CG2 3.72Å; I132-K466 HydrophobicContact CG2-CG 4.1Å
133	S	95.3	Very high	94.2	Very high	35 Å²	35	27.8 Å²	27.8	25%	0.245	18%	0.176	C	C	.	.	H	α-helix	trans	-66.9	-43.5	174.7	-150.2	0	0	0	0	112.8	S129 V130 R131 A135 L136 D137 K466	S129-S133 WeakPolarHBondContact O-CB 3.48Å; S129-S133 PolarHBondContact O-N 3.26Å; V130-S133 WeakPolarHBondContact O-CB 3.35Å; V130-S133 PolarHBondContact O-N 3Å; V130-S133 VanDerWaalsContact O-N 3.1Å; R131-S133 VanDerWaalsContact C-N 3.28Å; R131-S133 PolarHBondContact O-N 3.27Å; S133-A135 VanDerWaalsContact C-N 3.32Å; S133-A135 PolarHBondContact O-N 3.07Å; S133-L136 WeakPolarHBondContact O-CB 3.43Å; S133-L136 PolarHBondContact O-N 3.27Å; S133-D137 PolarHBondContact O-N 3.37Å; S133-K466 PolarHBondContact OG-NZ 3.46Å; S133-K466 VanDerWaalsContact OG-NZ 3.08Å
134	L	97.3	Very high	95	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.8	-42.2	174.7	-68.5	170.5	0	0	0	111.4	L115 L118 V130 R131 D137 I138 I162 F346 A348 L403	L115-L134 HydrophobicContact CD1-CD1 4.11Å; L118-L134 HydrophobicContact CD2-CD1 4.07Å; V130-L134 HydrophobicContact CG1-CD1 4.12Å; V130-L134 HydrophobicContact CG1-CG 4.47Å; V130-L134 WeakPolarHBondContact O-CG 3.49Å; V130-L134 PolarHBondContact O-N 3.1Å; R131-L134 PolarHBondContact O-N 3Å; L134-D137 PolarHBondContact O-N 3.32Å; L134-I138 WeakPolarHBondContact O-CD1 3.18Å; L134-I138 WeakPolarHBondContact O-CG1 3.4Å; L134-I138 PolarHBondContact O-N 2.76Å; L134-I162 HydrophobicContact CD2-CD1 3.84Å; L134-F346 HydrophobicContact CD2-CB 3.87Å; L134-A348 HydrophobicContact CD2-CB 3.91Å; L134-L403 HydrophobicContact CB-CD2 4.13Å; L134-L403 HydrophobicContact CD1-CD2 4.14Å
135	A	98.5	Very high	95.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.1	-45.5	174.9	0	0	0	0	0	112	R131 I132 S133 I138 A139 Y396 L403 F437 I462	R131-A135 PolarHBondContact O-N 3.09Å; I132-A135 PolarHBondContact O-N 2.93Å; S133-A135 VanDerWaalsContact C-N 3.32Å; S133-A135 PolarHBondContact O-N 3.07Å; A135-I138 PolarHBondContact O-N 3.27Å; A135-A139 WeakPolarHBondContact O-CB 3.35Å; A135-A139 PolarHBondContact O-N 3.37Å; A135-Y396 PolarHBondContact O-OH 3.4Å; A135-L403 HydrophobicContact CB-CD1 3.77Å; A135-F437 HydrophobicContact CB-CE2 3.8Å; A135-F437 HydrophobicContact CB-CZ 3.75Å; A135-I462 HydrophobicContact CB-CD1 4.44Å
136	L	98.3	Very high	96.2	Very high	18 Å²	18	21.2 Å²	21.2	9%	0.094	12%	0.121	C	C	.	.	H	α-helix	trans	-59.9	-47.7	176.6	-177.4	60.5	0	0	0	111.7	I132 S133 I138 A139 C140 I459 I462 E463 K466	I132-L136 PolarHBondContact O-N 2.89Å; S133-L136 WeakPolarHBondContact O-CB 3.43Å; S133-L136 PolarHBondContact O-N 3.27Å; L136-I138 PolarHBondContact O-N 3.42Å; L136-A139 WeakPolarHBondContact O-CB 3.48Å; L136-A139 PolarHBondContact O-N 3.06Å; L136-A139 VanDerWaalsContact O-N 3.16Å; L136-C140 PolarHBondContact O-N 3.32Å; L136-C140 PolarHBondContact O-SG 2.8Å; L136-I459 HydrophobicContact CD1-CG2 4.03Å; L136-I462 HydrophobicContact CB-CG2 3.91Å; L136-I462 HydrophobicContact CD1-CB 4.2Å; L136-I462 HydrophobicContact CD1-CG2 4.03Å; L136-I462 HydrophobicContact CD2-CG2 4.47Å; L136-I462 HydrophobicContact CG-CG2 4.36Å; L136-E463 HydrophobicContact CD1-CG 3.99Å; L136-E463 HydrophobicContact CD2-CG 4.23Å; L136-K466 HydrophobicContact CD2-CD 4.26Å
137	D	98.6	Very high	96.4	Very high	25 Å²	25	24.4 Å²	24.4	13%	0.134	14%	0.144	C	C	.	.	H	α-helix	trans	-57.2	-47.9	178	-77.6	-18.1	0	0	0	111.7	N89 S133 L134 A139 C140 G141 T347 A348	N89-D137 WeakPolarHBondContact CB-O 3.47Å; N89-D137 VanDerWaalsContact CG-O 3.3Å; N89-D137 WeakPolarHBondContact ND2-CB 3.4Å; N89-D137 PolarHBondContact ND2-OD1 2.84Å; N89-D137 VanDerWaalsContact ND2-OD1 3.09Å; S133-D137 PolarHBondContact O-N 3.37Å; L134-D137 PolarHBondContact O-N 3.32Å; D137-A139 VanDerWaalsContact C-N 3.32Å; D137-A139 PolarHBondContact O-N 3.16Å; D137-C140 PolarHBondContact O-N 3.4Å; D137-G141 PolarHBondContact O-N 3.3Å; D137-T347 VanDerWaalsContact OD2-CA 3.32Å; D137-T347 WeakPolarHBondContact OD2-CA 3.47Å; D137-A348 HydrophobicContact CB-CB 3.64Å; D137-A348 PolarHBondContact OD2-N 3.33Å
138	I	98.7	Very high	96.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.6	-43.9	177.2	-62.9	160.9	0	0	0	110.1	L115 L134 A135 L136 G141 L142 I160 A348 V350 Y396 L399	L115-I138 HydrophobicContact CD2-CD1 3.93Å; L134-I138 WeakPolarHBondContact O-CD1 3.18Å; L134-I138 WeakPolarHBondContact O-CG1 3.4Å; L134-I138 PolarHBondContact O-N 2.76Å; A135-I138 PolarHBondContact O-N 3.27Å; L136-I138 PolarHBondContact O-N 3.42Å; I138-G141 PolarHBondContact O-N 3.04Å; I138-L142 WeakPolarHBondContact O-CB 3.29Å; I138-L142 PolarHBondContact O-N 3.15Å; I138-I160 HydrophobicContact CD1-CG1 4.19Å; I138-I160 HydrophobicContact CD1-CG2 4.08Å; I138-I160 HydrophobicContact CG1-CD1 4.17Å; I138-I160 HydrophobicContact CG1-CG1 4.23Å; I138-I160 HydrophobicContact CG1-CG2 3.92Å; I138-I160 HydrophobicContact CG2-CD1 4.04Å; I138-A348 HydrophobicContact CD1-CB 4.45Å; I138-A348 HydrophobicContact CG1-CB 3.74Å; I138-V350 HydrophobicContact CG2-CG2 4.43Å; I138-Y396 HydrophobicContact CB-CD2 4.44Å; I138-Y396 HydrophobicContact CB-CE2 4.19Å; I138-Y396 HydrophobicContact CG2-CD2 3.77Å; I138-Y396 HydrophobicContact CG2-CE2 4.02Å; I138-L399 HydrophobicContact CG2-CD1 4.28Å
139	A	98.8	Very high	96.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.8	-42.8	178.7	0	0	0	0	0	112.1	A135 L136 D137 L142 H143 Y396 I455 I458 I459	A135-A139 WeakPolarHBondContact O-CB 3.35Å; A135-A139 PolarHBondContact O-N 3.37Å; L136-A139 WeakPolarHBondContact O-CB 3.48Å; L136-A139 PolarHBondContact O-N 3.06Å; L136-A139 VanDerWaalsContact O-N 3.16Å; D137-A139 VanDerWaalsContact C-N 3.32Å; D137-A139 PolarHBondContact O-N 3.16Å; A139-L142 PolarHBondContact O-N 3.35Å; A139-H143 WeakPolarHBondContact O-CB 3.14Å; A139-H143 PolarHBondContact O-N 3.43Å; A139-Y396 HydrophobicContact CB-CE2 3.96Å; A139-I455 HydrophobicContact CB-CD1 4.01Å; A139-I455 WeakPolarHBondContact O-CG1 3.17Å; A139-I458 HydrophobicContact CB-CG2 4.38Å; A139-I459 HydrophobicContact CB-CG1 3.8Å
140	C	98.7	Very high	96.5	Very high	24 Å²	24	20.9 Å²	20.9	16%	0.162	12%	0.118	C	C	.	.	H	α-helix	trans	-63.8	-42.4	175.4	-69.5	0	0	0	0	112	N89 L136 D137 H143 H144	N89-C140 WeakPolarHBondContact OD1-CB 3.48Å; L136-C140 PolarHBondContact O-N 3.32Å; L136-C140 PolarHBondContact O-SG 2.8Å; D137-C140 PolarHBondContact O-N 3.4Å; C140-H143 PolarHBondContact O-N 2.85Å; C140-H144 PolarHBondContact O-N 2.97Å
141	G	98.2	Very high	96.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.4	-45.7	174	0	0	0	0	0	112.2	N89 V90 D137 I138 H144 L145	N89-G141 WeakPolarHBondContact O-CA 3.44Å; V90-G141 WeakPolarHBondContact CG2-O 3.42Å; D137-G141 PolarHBondContact O-N 3.3Å; I138-G141 PolarHBondContact O-N 3.04Å; G141-H144 WeakPolarHBondContact O-CB 3.44Å; G141-H144 PolarHBondContact O-N 3.41Å; G141-L145 PolarHBondContact O-N 3.42Å
142	L	98.2	Very high	96.3	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65.7	-39.3	177.7	-171.3	62.3	0	0	0	112	I138 A139 H144 L145 H146 H152 L155 D392 I393 I455	I138-L142 WeakPolarHBondContact O-CB 3.29Å; I138-L142 PolarHBondContact O-N 3.15Å; A139-L142 PolarHBondContact O-N 3.35Å; L142-H144 VanDerWaalsContact C-N 3.3Å; L142-H144 PolarHBondContact O-N 3.13Å; L142-L145 HydrophobicContact CD1-CD1 4.49Å; L142-L145 WeakPolarHBondContact O-CB 3.47Å; L142-L145 PolarHBondContact O-N 3.37Å; L142-L145 VanDerWaalsContact O-N 3.17Å; L142-H146 WeakPolarHBondContact CD1-NE2 3.41Å; L142-H146 PolarHBondContact O-CD2 2.9Å; L142-H146 PolarHBondContact O-N 3.38Å; L142-H152 HydrophobicContact CD1-CB 4.48Å; L142-L155 HydrophobicContact CD1-CD2 4.3Å; L142-L155 HydrophobicContact CD2-CD2 3.94Å; L142-D392 HydrophobicContact CD1-CB 3.97Å; L142-D392 HydrophobicContact CD2-CB 4.08Å; L142-I393 HydrophobicContact CD2-CD1 4.3Å; L142-I455 HydrophobicContact CB-CD1 4.31Å; L142-I455 HydrophobicContact CD2-CD1 4Å; L142-I455 HydrophobicContact CG-CD1 4.4Å
143	H	98.1	Very high	96.1	Very high	58 Å²	58	19 Å²	19	27%	0.269	11%	0.107	S	C	.	.	H	α-helix	trans	-59.3	-41.6	173	174.2	56.5	0	0	0	111.9	A139 C140 L145 H146 S147 I455 L456 I459	A139-H143 WeakPolarHBondContact O-CB 3.14Å; A139-H143 PolarHBondContact O-N 3.43Å; C140-H143 PolarHBondContact O-N 2.85Å; H143-L145 VanDerWaalsContact C-N 3.32Å; H143-L145 PolarHBondContact O-N 3.47Å; H143-H146 PolarHBondContact O-N 3.16Å; H143-S147 WeakPolarHBondContact O-CB 3.39Å; H143-S147 PolarHBondContact O-N 3.29Å; H143-S147 PolarHBondContact O-OG 3.34Å; H143-I455 HydrophobicContact CB-CG1 3.81Å; H143-I455 HydrophobicContact CB-CG2 3.91Å; H143-L456 VanDerWaalsContact CE1-CD2 3.41Å; H143-L456 WeakPolarHBondContact CE1-CD2 3.3Å; H143-I459 HydrophobicContact CB-CD1 3.65Å
144	H	97.5	Very high	95.9	Very high	26 Å²	26	17.8 Å²	17.8	12%	0.12	10%	0.098	C	C	.	.	H	α-helix	trans	-59.9	-43	175.6	-172.6	74.9	0	0	0	111.5	H87 V90 C140 G141 L142 S147 H148	H87-H144 HydrophobicContact CB-CB 4.1Å; H87-H144 AromaticContact CD2-ND1 3.92Å; H87-H144 AromaticContact CG-CG 3.81Å; V90-H144 HydrophobicContact CG2-CB 4.14Å; C140-H144 PolarHBondContact O-N 2.97Å; G141-H144 WeakPolarHBondContact O-CB 3.44Å; G141-H144 PolarHBondContact O-N 3.41Å; L142-H144 VanDerWaalsContact C-N 3.3Å; L142-H144 PolarHBondContact O-N 3.13Å; H144-S147 PolarHBondContact O-OG 3.47Å; H144-H148 AromaticContact CE1-CE1 3.32Å; H144-H148 PolarHBondContact CE1-CE1 3Å; H144-H148 AromaticContact CE1-ND1 3.91Å; H144-H148 AromaticContact ND1-CE1 3.76Å; H144-H148 AromaticContact NE2-CE1 3.66Å; H144-H148 AromaticContact NE2-ND1 4Å; H144-H148 PolarHBondContact O-N 3.28Å; H144-H148 PolarHBondContact O-ND1 3.37Å
145	L	96	Very high	95.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62.8	-49.7	174.5	-60.7	-178.9	0	0	0	111.8	L85 V90 G141 L142 H143 S147 H148 S149 L150 H152 V350 L353	L85-L145 HydrophobicContact CD1-CD2 3.53Å; L85-L145 HydrophobicContact CD2-CD2 4.4Å; V90-L145 HydrophobicContact CG1-CD2 4.22Å; V90-L145 HydrophobicContact CG2-CD2 4.46Å; G141-L145 PolarHBondContact O-N 3.42Å; L142-L145 HydrophobicContact CD1-CD1 4.49Å; L142-L145 WeakPolarHBondContact O-CB 3.47Å; L142-L145 PolarHBondContact O-N 3.37Å; L142-L145 VanDerWaalsContact O-N 3.17Å; H143-L145 VanDerWaalsContact C-N 3.32Å; H143-L145 PolarHBondContact O-N 3.47Å; L145-S147 VanDerWaalsContact C-N 3.31Å; L145-S147 PolarHBondContact O-N 3.1Å; L145-H148 CarbonylContact O-C 3.57Å; L145-H148 WeakPolarHBondContact O-CA 3.43Å; L145-H148 WeakPolarHBondContact O-CB 3.48Å; L145-H148 PolarHBondContact O-N 3.31Å; L145-S149 PolarHBondContact O-N 3.32Å; L145-L150 CarbonylContact C-O 3.46Å; L145-L150 HydrophobicContact CB-CB 4.16Å; L145-L150 HydrophobicContact CD2-CD1 4.22Å; L145-L150 WeakPolarHBondContact O-CB 3.32Å; L145-L150 PolarHBondContact O-N 3.11Å; L145-H152 HydrophobicContact CD1-CB 4.4Å; L145-V350 HydrophobicContact CD1-CG1 3.84Å; L145-L353 HydrophobicContact CD1-CD2 3.8Å; L145-L353 HydrophobicContact CD2-CD1 3.95Å; L145-L353 HydrophobicContact CD2-CD2 4.22Å
146	H	96.2	Very high	95.6	Very high	17 Å²	17	18 Å²	18	8%	0.079	10%	0.099	C	C	.	.	H	α-helix	trans	-61.6	-38.3	-177.8	-70.4	-171.9	0	0	0	112.3	L142 H143 H148 S149 L150 F389 D392	L142-H146 WeakPolarHBondContact CD1-NE2 3.41Å; L142-H146 PolarHBondContact O-CD2 2.9Å; L142-H146 PolarHBondContact O-N 3.38Å; H143-H146 PolarHBondContact O-N 3.16Å; H146-H148 PolarHBondContact O-N 3.05Å; H146-S149 WeakPolarHBondContact O-CA 3.44Å; H146-S149 PolarHBondContact O-N 3.44Å; H146-L150 PolarHBondContact CD2-O 3.02Å; H146-L150 VanDerWaalsContact CD2-O 3.29Å; H146-F389 HydrophobicContact CB-CD1 3.95Å; H146-F389 HydrophobicContact CB-CE1 4.1Å; H146-F389 HydrophobicContact CB-CG 4.49Å; H146-F389 AromaticContact CD2-CD1 3.48Å; H146-F389 VanDerWaalsContact CD2-CD1 3.48Å; H146-F389 WeakPolarHBondContact CD2-CD1 3.47Å; H146-F389 AromaticContact CG-CD1 3.53Å; H146-F389 AromaticContact ND1-CD1 3.92Å; H146-F389 AromaticContact NE2-CD1 3.81Å; H146-D392 IonicContact CD2-OD2 3.82Å; H146-D392 IonicContact CE1-OD2 2.85Å; H146-D392 IonicContact NE2-OD2 3.45Å; H146-D392 PolarHBondContact NE2-OD2 3.33Å
147	S	95.4	Very high	95.5	Very high	70 Å²	70	17.1 Å²	17.1	49%	0.49	10%	0.095	S	C	.	.	H	α-helix	trans	-66.2	-23.1	174.6	64.8	0	0	0	0	113.3	H143 H144 L145 S149	H143-S147 WeakPolarHBondContact O-CB 3.39Å; H143-S147 PolarHBondContact O-N 3.29Å; H143-S147 PolarHBondContact O-OG 3.34Å; H144-S147 PolarHBondContact O-OG 3.47Å; L145-S147 VanDerWaalsContact C-N 3.31Å; L145-S147 PolarHBondContact O-N 3.1Å; S147-S149 VanDerWaalsContact C-N 3.28Å
148	H	93.4	Very high	95.3	Very high	58 Å²	58	20.9 Å²	20.9	27%	0.269	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	7.7	171.3	-71.2	73.7	0	0	0	113.3	L85 H144 L145 H146 L150 K360	L85-H148 HydrophobicContact CD2-CB 4.11Å; H144-H148 AromaticContact CE1-CE1 3.32Å; H144-H148 PolarHBondContact CE1-CE1 3Å; H144-H148 AromaticContact CE1-ND1 3.91Å; H144-H148 AromaticContact ND1-CE1 3.76Å; H144-H148 AromaticContact NE2-CE1 3.66Å; H144-H148 AromaticContact NE2-ND1 4Å; H144-H148 PolarHBondContact O-N 3.28Å; H144-H148 PolarHBondContact O-ND1 3.37Å; L145-H148 CarbonylContact O-C 3.57Å; L145-H148 WeakPolarHBondContact O-CA 3.43Å; L145-H148 WeakPolarHBondContact O-CB 3.48Å; L145-H148 PolarHBondContact O-N 3.31Å; H146-H148 PolarHBondContact O-N 3.05Å; H148-L150 VanDerWaalsContact C-N 3.28Å; H148-L150 HydrophobicContact CB-CD1 4.22Å; H148-L150 HydrophobicContact CB-CG 4.14Å; H148-K360 VanDerWaalsContact O-CE 3.31Å; H148-K360 WeakPolarHBondContact O-CE 3.4Å; H148-K360 PolarHBondContact O-NZ 2.85Å
149	S	92.3	Very high	95.1	Very high	38 Å²	38	21.8 Å²	21.8	27%	0.266	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	30	-177.2	-43.3	0	0	0	0	113.6	L145 H146 S147 L359	L145-S149 PolarHBondContact O-N 3.32Å; H146-S149 WeakPolarHBondContact O-CA 3.44Å; H146-S149 PolarHBondContact O-N 3.44Å; S147-S149 VanDerWaalsContact C-N 3.28Å; S149-L359 WeakPolarHBondContact O-CB 3.37Å; S149-L359 WeakPolarHBondContact O-CG 3.28Å; S149-L359 PolarHBondContact O-N 2.85Å
150	L	92.2	Very high	95	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.021	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	129.3	179.4	-63.7	-177.4	0	0	0	110.2	L81 L85 L145 H146 H148 C356 L357 D358	L81-L150 HydrophobicContact CD2-CD2 3.86Å; L85-L150 HydrophobicContact CD1-CD1 3.89Å; L85-L150 HydrophobicContact CD2-CD1 4.08Å; L85-L150 HydrophobicContact CG-CD1 4.42Å; L145-L150 CarbonylContact C-O 3.46Å; L145-L150 HydrophobicContact CB-CB 4.16Å; L145-L150 HydrophobicContact CD2-CD1 4.22Å; L145-L150 WeakPolarHBondContact O-CB 3.32Å; L145-L150 PolarHBondContact O-N 3.11Å; H146-L150 PolarHBondContact CD2-O 3.02Å; H146-L150 VanDerWaalsContact CD2-O 3.29Å; H148-L150 VanDerWaalsContact C-N 3.28Å; H148-L150 HydrophobicContact CB-CD1 4.22Å; H148-L150 HydrophobicContact CB-CG 4.14Å; L150-C356 VanDerWaalsContact CB-SG 3.6Å; L150-L357 WeakPolarHBondContact CA-O 3.5Å; L150-D358 HydrophobicContact CD2-CB 3.77Å
151	I	92	Very high	95	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	125.1	169.7	-58.2	168.7	0	0	0	107.5	R153 C356 L357 L359 Y387 F389 D392	I151-R153 HydrophobicContact CB-CG 4.33Å; I151-R153 HydrophobicContact CG2-CG 3.73Å; I151-C356 CarbonylContact O-C 3.32Å; I151-C356 VanDerWaalsContact O-CA 3.3Å; I151-C356 WeakPolarHBondContact O-CA 3.31Å; I151-C356 PolarHBondContact O-SG 3.46Å; I151-L357 HydrophobicContact CB-CB 4.34Å; I151-L357 HydrophobicContact CD1-CD2 4.28Å; I151-L357 PolarHBondContact N-O 3.18Å; I151-L357 PolarHBondContact O-N 3.48Å; I151-L359 HydrophobicContact CD1-CD1 3.93Å; I151-L359 HydrophobicContact CD1-CD2 3.9Å; I151-L359 HydrophobicContact CD1-CG 4.1Å; I151-L359 HydrophobicContact CG1-CD1 4.18Å; I151-L359 HydrophobicContact CG1-CG 4.4Å; I151-Y387 WeakPolarHBondContact CD1-O 3.41Å; I151-F389 HydrophobicContact CD1-CD1 4.41Å; I151-F389 HydrophobicContact CG1-CD1 3.55Å; I151-F389 HydrophobicContact CG1-CE1 3.7Å; I151-F389 HydrophobicContact CG1-CG 4.42Å; I151-D392 WeakPolarHBondContact CA-OD2 3.37Å; I151-D392 WeakPolarHBondContact CG2-OD2 3.23Å
152	H	93.4	Very high	94.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.118	C	C	.	.			trans	-66.9	-44.9	-174.3	-168.7	-48.4	0	0	0	112.6	L142 L145 D154 L155 V350 A351 D352 D392	L142-H152 HydrophobicContact CD1-CB 4.48Å; L145-H152 HydrophobicContact CD1-CB 4.4Å; H152-D154 PolarHBondContact CE1-O 2.83Å; H152-D154 VanDerWaalsContact CE1-O 3.28Å; H152-D154 PolarHBondContact ND1-N 3.43Å; H152-D154 PolarHBondContact O-N 3.22Å; H152-L155 HydrophobicContact CB-CB 4.49Å; H152-V350 WeakPolarHBondContact CD2-CG1 3.47Å; H152-A351 PolarHBondContact CE1-O 2.96Å; H152-A351 PolarHBondContact NE2-O 3.31Å; H152-D352 PolarHBondContact CE1-O 2.94Å; H152-D352 VanDerWaalsContact CE1-O 3.31Å; H152-D392 PolarHBondContact N-OD1 3.09Å; H152-D392 PolarHBondContact N-OD2 3.01Å
153	R	91.3	Very high	94.7	Very high	25 Å²	25	25 Å²	25	9%	0.094	13%	0.128	C	C	.	.	S	Bend	trans	63.8	-4.9	-179	-54.5	-166.7	-66.2	-173.3	-7.6	117.4	I151 L355 L357 D365 V370 Y387 D392	I151-R153 HydrophobicContact CB-CG 4.33Å; I151-R153 HydrophobicContact CG2-CG 3.73Å; R153-L355 PolarHBondContact NE-O 2.94Å; R153-L355 PolarHBondContact NH2-O 3.37Å; R153-L357 HydrophobicContact CG-CB 4.39Å; R153-D365 PolarHBondContact NH1-O 3.21Å; R153-V370 HydrophobicContact CB-CG2 4.04Å; R153-Y387 HydrophobicContact CB-CD1 4.22Å; R153-Y387 HydrophobicContact CB-CE1 4.08Å; R153-Y387 HydrophobicContact CG-CD1 3.67Å; R153-Y387 HydrophobicContact CG-CE1 4.03Å; R153-Y387 HydrophobicContact CG-CG 4.15Å; R153-D392 PolarHBondContact N-OD1 3.12Å
154	D	91.2	Very high	94.3	Very high	11 Å²	11	22.6 Å²	22.6	6%	0.059	12%	0.117	C	C	.	.			trans	-144.8	42.1	179	-164.5	35.6	0	0	0	111.7	H152 T156 N159 L355 G371 N372	H152-D154 PolarHBondContact CE1-O 2.83Å; H152-D154 VanDerWaalsContact CE1-O 3.28Å; H152-D154 PolarHBondContact ND1-N 3.43Å; H152-D154 PolarHBondContact O-N 3.22Å; D154-T156 PolarHBondContact O-N 3.47Å; D154-T156 VanDerWaalsContact O-N 3.15Å; D154-N159 PolarHBondContact O-ND2 3.1Å; D154-N159 PolarHBondContact OD2-ND2 3.19Å; D154-L355 HydrophobicContact CB-CB 4.28Å; D154-L355 HydrophobicContact CB-CD1 3.79Å; D154-G371 VanDerWaalsContact OD1-CA 3.22Å; D154-G371 WeakPolarHBondContact OD1-CA 3.49Å; D154-N372 PolarHBondContact OD1-N 3.29Å
155	L	95.4	Very high	93.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.127	C	C	.	.			trans	-76.5	102	-179.2	-168.2	75.5	0	0	0	109.6	L142 H152 I160 V350 Y375 L399	L142-L155 HydrophobicContact CD1-CD2 4.3Å; L142-L155 HydrophobicContact CD2-CD2 3.94Å; H152-L155 HydrophobicContact CB-CB 4.49Å; L155-I160 HydrophobicContact CD1-CD1 3.91Å; L155-V350 HydrophobicContact CD1-CG1 3.88Å; L155-V350 HydrophobicContact CD1-CG2 4.48Å; L155-Y375 WeakPolarHBondContact O-CD1 3.32Å; L155-L399 HydrophobicContact CD1-CD1 4.5Å; L155-L399 HydrophobicContact CD2-CD1 3.91Å; L155-L399 HydrophobicContact CG-CD1 3.71Å
156	T	94.9	Very high	92.8	Very high	4 Å²	4	27.9 Å²	27.9	3%	0.025	15%	0.149	C	C	.	.			trans	-132.6	164.5	-178.2	73	0	0	0	0	111.2	D154 Q158 N159 I160 N372 Y375	D154-T156 PolarHBondContact O-N 3.47Å; D154-T156 VanDerWaalsContact O-N 3.15Å; T156-Q158 PolarHBondContact O-N 3.34Å; T156-Q158 PolarHBondContact OG1-N 3.37Å; T156-N159 CarbonylContact O-C 3.58Å; T156-N159 PolarHBondContact O-N 3.42Å; T156-N159 PolarHBondContact OG1-N 3.16Å; T156-I160 PolarHBondContact O-N 3.24Å; T156-N372 HydrophobicContact CG2-CB 3.62Å; T156-Y375 HydrophobicContact CG2-CD1 4.4Å; T156-Y375 HydrophobicContact CG2-CD2 3.5Å; T156-Y375 VanDerWaalsContact CG2-CD2 3.5Å; T156-Y375 HydrophobicContact CG2-CE2 3.78Å; T156-Y375 HydrophobicContact CG2-CG 3.82Å
157	S	95.9	Very high	91.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-16.9	-179.7	56.8	0	0	0	0	112.5	L115 A116 Y375 L399 E402	L115-S157 WeakPolarHBondContact CB-O 3.33Å; L115-S157 PolarHBondContact N-O 3.13Å; A116-S157 WeakPolarHBondContact CB-OG 3.27Å; A116-S157 PolarHBondContact N-O 3.1Å; S157-Y375 PolarHBondContact OG-OH 3.12Å; S157-Y375 VanDerWaalsContact OG-OH 3.1Å; S157-L399 VanDerWaalsContact N-CD2 3.27Å; S157-E402 WeakPolarHBondContact CB-OE2 3.5Å; S157-E402 PolarHBondContact OG-OE1 3.14Å; S157-E402 PolarHBondContact OG-OE2 3.14Å; S157-E402 VanDerWaalsContact OG-OE2 3.13Å
158	Q	93.6	Very high	89.2	Confident	103 Å²	103	35.2 Å²	35.2	48%	0.481	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-31.6	171.9	-59.6	-174.4	30.1	0	0	112	S114 A116 T156	S114-Q158 WeakPolarHBondContact CB-O 3.47Å; A116-Q158 HydrophobicContact CB-CG 3.89Å; T156-Q158 PolarHBondContact O-N 3.34Å; T156-Q158 PolarHBondContact OG1-N 3.37Å
159	N	94.3	Very high	86.5	Confident	19 Å²	19	39 Å²	39	10%	0.102	20%	0.2	C	C	.	.	S	Bend	trans	-90.7	2	179.5	-65.2	-14.2	0	0	0	113	D154 T156 A351 D352	D154-N159 PolarHBondContact O-ND2 3.1Å; D154-N159 PolarHBondContact OD2-ND2 3.19Å; T156-N159 CarbonylContact O-C 3.58Å; T156-N159 PolarHBondContact O-N 3.42Å; T156-N159 PolarHBondContact OG1-N 3.16Å; N159-A351 WeakPolarHBondContact O-CA 3.41Å; N159-A351 WeakPolarHBondContact O-CB 3.44Å; N159-A351 PolarHBondContact O-N 2.96Å; N159-D352 HydrophobicContact CB-CB 4.22Å
160	I	97.6	Very high	84	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	114.4	165.5	-57.1	-51.5	0	0	0	108.4	S114 L115 I138 L155 T156 I162 A348 L349 V350 L399	S114-I160 CarbonylContact C-O 3.56Å; S114-I160 VanDerWaalsContact CA-O 3.25Å; S114-I160 WeakPolarHBondContact CA-O 3.42Å; L115-I160 HydrophobicContact CB-CB 3.82Å; L115-I160 HydrophobicContact CB-CG2 3.93Å; L115-I160 HydrophobicContact CD2-CB 4.21Å; L115-I160 HydrophobicContact CD2-CG1 4.41Å; L115-I160 HydrophobicContact CD2-CG2 4.2Å; L115-I160 PolarHBondContact N-O 3.04Å; I138-I160 HydrophobicContact CD1-CG1 4.19Å; I138-I160 HydrophobicContact CD1-CG2 4.08Å; I138-I160 HydrophobicContact CG1-CD1 4.17Å; I138-I160 HydrophobicContact CG1-CG1 4.23Å; I138-I160 HydrophobicContact CG1-CG2 3.92Å; I138-I160 HydrophobicContact CG2-CD1 4.04Å; L155-I160 HydrophobicContact CD1-CD1 3.91Å; T156-I160 PolarHBondContact O-N 3.24Å; I160-I162 HydrophobicContact CG2-CD1 4.38Å; I160-A348 HydrophobicContact CG2-CB 3.84Å; I160-L349 CarbonylContact C-O 3.54Å; I160-L349 WeakPolarHBondContact CA-O 3.36Å; I160-V350 HydrophobicContact CD1-CB 4.4Å; I160-V350 HydrophobicContact CD1-CG2 4Å; I160-L399 HydrophobicContact CD1-CD1 4.46Å; I160-L399 HydrophobicContact CG1-CD1 4.13Å
161	L	97.1	Very high	81.3	Confident	41 Å²	41	49.5 Å²	49.5	22%	0.215	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	152.3	173.8	-57.6	-171.6	0	0	0	111.1	L91 A110 G113 L349 A351	L91-L161 HydrophobicContact CD1-CD1 3.91Å; L91-L161 HydrophobicContact CD2-CD1 4.18Å; A110-L161 HydrophobicContact CB-CB 3.56Å; A110-L161 HydrophobicContact CB-CD1 4.03Å; A110-L161 HydrophobicContact CB-CG 4.42Å; G113-L161 CarbonylContact O-C 3.59Å; G113-L161 WeakPolarHBondContact O-CA 3.37Å; L161-L349 PolarHBondContact N-O 3.08Å; L161-L349 WeakPolarHBondContact O-CD1 3.17Å; L161-L349 PolarHBondContact O-N 2.78Å; L161-A351 HydrophobicContact CD1-CB 4.12Å; L161-A351 HydrophobicContact CG-CB 3.9Å
162	I	96.4	Very high	78.6	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	127.3	-176.5	-56.9	-60.5	0	0	0	109.4	A110 G112 G113 L115 L118 L134 I160 V164 F346 T347 A348	A110-I162 CarbonylContact C-O 3.52Å; G112-I162 WeakPolarHBondContact CA-O 3.5Å; G112-I162 PolarHBondContact N-O 2.99Å; G113-I162 PolarHBondContact O-N 2.58Å; L115-I162 HydrophobicContact CB-CD1 4.15Å; L115-I162 HydrophobicContact CB-CG1 4.45Å; L115-I162 HydrophobicContact CD1-CD1 4.19Å; L118-I162 HydrophobicContact CD2-CD1 4.25Å; L118-I162 HydrophobicContact CD2-CG1 4.11Å; L118-I162 HydrophobicContact CD2-CG2 4.33Å; L134-I162 HydrophobicContact CD2-CD1 3.84Å; I160-I162 HydrophobicContact CG2-CD1 4.38Å; I162-V164 HydrophobicContact CG2-CG2 4.11Å; I162-F346 HydrophobicContact CG2-CB 4.16Å; I162-F346 HydrophobicContact CG2-CD1 3.72Å; I162-F346 HydrophobicContact CG2-CG 4.43Å; I162-T347 WeakPolarHBondContact CA-O 3.38Å; I162-A348 HydrophobicContact CD1-CB 4.31Å
163	R	94.1	Very high	75.7	Confident	52 Å²	52	60.3 Å²	60.3	20%	0.196	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.9	164.2	-164.6	-172	-60.4	135.6	-4.5	108.8	E108 N111 H165 F346 T347 L349	E108-R163 IonicContact OE1-NH2 3.83Å; E108-R163 IonicContact OE2-CZ 3.73Å; E108-R163 IonicContact OE2-NE 2.66Å; E108-R163 IonicContact OE2-NH2 2.76Å; E108-R163 PolarHBondContact OE2-NH2 2.77Å; N111-R163 VanDerWaalsContact OD1-CA 3.3Å; N111-R163 WeakPolarHBondContact OD1-CA 3.43Å; R163-H165 WeakPolarHBondContact CD-CE1 3.47Å; R163-H165 VanDerWaalsContact CD-NE2 3.28Å; R163-H165 WeakPolarHBondContact CD-NE2 3.43Å; R163-F346 WeakPolarHBondContact O-CA 3.36Å; R163-T347 PolarHBondContact N-O 3.28Å; R163-T347 PolarHBondContact O-N 3.03Å; R163-L349 HydrophobicContact CB-CD1 3.8Å
164	V	91.3	Very high	72.9	Confident	7 Å²	7	65.9 Å²	65.9	4%	0.042	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	131.1	178.9	-171.5	0	0	0	0	109.1	N111 I162 W317 L344 E345 F346	N111-V164 PolarHBondContact ND2-O 3.49Å; N111-V164 PolarHBondContact OD1-N 3.15Å; I162-V164 HydrophobicContact CG2-CG2 4.11Å; V164-W317 HydrophobicContact CG2-CB 4.48Å; V164-L344 HydrophobicContact CG1-CB 4.43Å; V164-L344 HydrophobicContact CG1-CD2 4.06Å; V164-E345 CarbonylContact C-O 3.59Å; V164-E345 WeakPolarHBondContact CA-O 3.47Å; V164-F346 HydrophobicContact CG1-CD1 4.4Å; V164-F346 HydrophobicContact CG1-CE1 4.13Å; V164-F346 HydrophobicContact CG2-CD1 3.91Å; V164-F346 HydrophobicContact CG2-CE1 3.95Å
165	H	84.7	Confident	69.9	Low	69 Å²	69	71.5 Å²	71.5	32%	0.319	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	145.3	174.9	-54.7	-91.5	0	0	0	109.5	R163 L344 E345 T347	R163-H165 WeakPolarHBondContact CD-CE1 3.47Å; R163-H165 VanDerWaalsContact CD-NE2 3.28Å; R163-H165 WeakPolarHBondContact CD-NE2 3.43Å; H165-L344 WeakPolarHBondContact O-CA 3.37Å; H165-E345 HydrophobicContact CB-CB 4.28Å; H165-E345 PolarHBondContact N-O 2.96Å; H165-E345 PolarHBondContact O-N 3Å; H165-T347 PolarHBondContact NE2-OG1 3.32Å
166	S	75.7	Confident	67	Low	67 Å²	67	80.9 Å²	80.9	47%	0.469	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	133.1	164.4	-172.3	0	0	0	0	107.9	S168	S166-S168 VanDerWaalsContact C-N 3.34Å; S166-S168 PolarHBondContact O-N 3.27Å
167	R	63.5	Low	64	Low	160 Å²	160	84.7 Å²	84.7	60%	0.604	46%	0.458	S	S	*	.			trans	-62.3	94.5	168.8	-77.2	-176.6	168.4	-155.4	-9.4	109.3	S343 E345	R167-S343 PolarHBondContact N-O 3.18Å; R167-E345 HydrophobicContact CG-CG 3.93Å; R167-E345 IonicContact CZ-OE1 2.86Å; R167-E345 IonicContact NE-OE1 3.54Å; R167-E345 PolarHBondContact NE-OE1 3.3Å; R167-E345 IonicContact NH2-OE1 3.62Å; R167-E345 PolarHBondContact NH2-OE1 2.95Å
168	S	52.6	Low	61.2	Low	82 Å²	82	88.8 Å²	88.8	57%	0.573	48%	0.479	S	S	*	.			trans	-79.4	133.6	156.7	49.6	0	0	0	0	108	S166	S166-S168 VanDerWaalsContact C-N 3.34Å; S166-S168 PolarHBondContact O-N 3.27Å
169	N	36.9	Very low	58.2	Low	136 Å²	136	88.5 Å²	88.5	73%	0.727	49%	0.489	S	S	*	.			trans	-47.8	128.4	176.4	-141.8	12.4	0	0	0	109.4	D171	N169-D171 PolarHBondContact O-N 2.93Å
170	P	39.6	Very low	55.5	Low	112 Å²	112	91.1 Å²	91.1	73%	0.727	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	20.6	-166.3	27.3	-34.8	0	0	0	115.9	T172	P170-T172 VanDerWaalsContact C-N 3.26Å; P170-T172 PolarHBondContact O-N 3.38Å
171	D	36.4	Very low	52.3	Low	152 Å²	152	98.4 Å²	98.4	81%	0.813	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	6.3	176.9	-84.2	-16.4	0	0	0	114.1	N169	N169-D171 PolarHBondContact O-N 2.93Å
172	T	34.2	Very low	49	Very low	99 Å²	99	103.3 Å²	103.3	61%	0.607	56%	0.564	S	S	*	*	S	Bend	trans	-109.7	100.9	166.1	52.3	0	0	0	0	109.7	P170 D174	P170-T172 VanDerWaalsContact C-N 3.26Å; P170-T172 PolarHBondContact O-N 3.38Å; T172-D174 PolarHBondContact O-N 3.06Å; T172-D174 VanDerWaalsContact O-N 3.14Å
173	T	32.1	Very low	46	Very low	128 Å²	128	108.1 Å²	108.1	79%	0.785	59%	0.585	S	S	*	*			trans	-37.8	111.4	173.3	51.1	0	0	0	0	112.7	N175	T173-N175 PolarHBondContact O-N 3.25Å
174	D	32.8	Very low	42.9	Very low	142 Å²	142	109.7 Å²	109.7	76%	0.759	60%	0.597	S	S	*	*			trans	-64.8	94.6	171.2	-77.9	-40.4	0	0	0	110.3	T172 H176	T172-D174 PolarHBondContact O-N 3.06Å; T172-D174 VanDerWaalsContact O-N 3.14Å; D174-H176 PolarHBondContact O-N 3.13Å
175	N	29.4	Very low	40.1	Very low	128 Å²	128	114.7 Å²	114.7	68%	0.684	62%	0.616	S	S	*	*			trans	-73.9	111.9	151.7	-80.8	-32.1	0	0	0	106.7	T173 S177	T173-N175 PolarHBondContact O-N 3.25Å; N175-S177 PolarHBondContact O-N 3.25Å
176	H	34.4	Very low	37.6	Very low	198 Å²	198	118 Å²	118	92%	0.917	63%	0.632	S	S	*	*			trans	-58.2	78.4	167.2	-78.7	-66.4	0	0	0	110.7	D174	D174-H176 PolarHBondContact O-N 3.13Å
177	S	32	Very low	35.5	Very low	84 Å²	84	118.4 Å²	118.4	59%	0.587	63%	0.631	S	S	*	*	S	Bend	trans	-151.6	85.3	166.9	60.8	0	0	0	0	108.2	N175 S179	N175-S177 PolarHBondContact O-N 3.25Å; S177-S179 PolarHBondContact O-N 3.04Å
178	D	36.5	Very low	34	Very low	86 Å²	86	114.5 Å²	114.5	46%	0.46	62%	0.622	S	S	.	*			trans	55.5	25.9	144.1	-153.5	52.8	0	0	0	116.6	R62 T180	R62-D178 IonicContact CZ-OD1 3.59Å; R62-D178 IonicContact CZ-OD2 3.05Å; R62-D178 IonicContact NE-OD1 2.85Å; R62-D178 PolarHBondContact NE-OD1 3.34Å; R62-D178 IonicContact NE-OD2 3.49Å; R62-D178 PolarHBondContact NE-OD2 3.17Å; R62-D178 IonicContact NH2-OD1 3.46Å; R62-D178 PolarHBondContact NH2-OD1 3.04Å; R62-D178 IonicContact NH2-OD2 2.61Å; R62-D178 PolarHBondContact NH2-OD2 3.03Å; D178-T180 PolarHBondContact O-N 3.28Å
179	S	31.5	Very low	33.1	Very low	96 Å²	96	113.2 Å²	113.2	67%	0.671	61%	0.612	S	S	*	*			trans	-75.9	65.4	170.6	50.8	0	0	0	0	108.6	S177 F181	S177-S179 PolarHBondContact O-N 3.04Å; S179-F181 PolarHBondContact O-N 3.31Å
180	T	36.2	Very low	32.9	Very low	75 Å²	75	111.7 Å²	111.7	46%	0.46	60%	0.604	S	S	.	*			trans	-56.8	104.8	157	-48.4	0	0	0	0	104.5	D178 N182	D178-T180 PolarHBondContact O-N 3.28Å; T180-N182 PolarHBondContact O-N 3.05Å
181	F	31.7	Very low	32.4	Very low	153 Å²	153	112.8 Å²	112.8	67%	0.671	60%	0.604	S	S	*	*			trans	-32.4	114.6	179.5	-154	-103.6	0	0	0	108.6	S179 F183	S179-F181 PolarHBondContact O-N 3.31Å; F181-F183 HydrophobicContact CD1-CB 4.4Å; F181-F183 PolarHBondContact O-N 3.33Å
182	N	27.4	Very low	32.5	Very low	143 Å²	143	109.3 Å²	109.3	77%	0.765	59%	0.588	S	S	*	*			trans	-71.3	68.9	179.4	-156.8	27.4	0	0	0	106.8	T180 D184	T180-N182 PolarHBondContact O-N 3.05Å; N182-D184 VanDerWaalsContact C-N 3.28Å; N182-D184 PolarHBondContact O-N 3.26Å
183	F	32.6	Very low	32.3	Very low	101 Å²	101	111.3 Å²	111.3	44%	0.443	59%	0.589	S	S	.	*			trans	-69.6	98.3	170.5	-166.1	-97.1	0	0	0	104.4	F181 Y185 I188	F181-F183 HydrophobicContact CD1-CB 4.4Å; F181-F183 PolarHBondContact O-N 3.33Å; F183-Y185 VanDerWaalsContact C-N 3.28Å; F183-Y185 PolarHBondContact O-N 3.43Å; F183-I188 HydrophobicContact CE1-CD1 4.1Å; F183-I188 HydrophobicContact CE1-CG1 4.48Å
184	D	30.3	Very low	32.3	Very low	85 Å²	85	112.9 Å²	112.9	46%	0.455	59%	0.587	S	S	.	*			trans	-54.8	97.9	175.9	-84.3	-34.8	0	0	0	107.7	N182 Q186 T187	N182-D184 VanDerWaalsContact C-N 3.28Å; N182-D184 PolarHBondContact O-N 3.26Å; D184-Q186 PolarHBondContact O-N 3.15Å; D184-T187 PolarHBondContact O-N 3.5Å; D184-T187 PolarHBondContact O-OG1 2.88Å
185	Y	30.7	Very low	32.3	Very low	112 Å²	112	112.2 Å²	112.2	44%	0.439	58%	0.584	S	S	.	*	H	α-helix	trans	-55.3	-16.1	171.4	-132.9	-91.5	0	0	0	110.9	F183 T187	F183-Y185 VanDerWaalsContact C-N 3.28Å; F183-Y185 PolarHBondContact O-N 3.43Å; Y185-T187 VanDerWaalsContact C-N 3.35Å
186	Q	32.4	Very low	32.4	Very low	138 Å²	138	114.7 Å²	114.7	65%	0.645	58%	0.583	S	S	*	*	H	α-helix	trans	-64	-29.2	170.7	-78.6	-179.1	-14.7	0	0	114.1	D184 I188 C189 N190	D184-Q186 PolarHBondContact O-N 3.15Å; Q186-I188 VanDerWaalsContact C-N 3.34Å; Q186-I188 PolarHBondContact O-N 2.94Å; Q186-C189 WeakPolarHBondContact O-CB 3.43Å; Q186-C189 PolarHBondContact O-N 3.13Å; Q186-N190 PolarHBondContact O-N 3.46Å; Q186-N190 VanDerWaalsContact O-N 3.16Å
187	T	32.9	Very low	32.3	Very low	76 Å²	76	110.9 Å²	110.9	47%	0.466	57%	0.569	S	S	.	*	H	α-helix	trans	-67.7	-35.4	-177.2	-44.3	0	0	0	0	111.8	D184 Y185 C189 N190 D191	D184-T187 PolarHBondContact O-N 3.5Å; D184-T187 PolarHBondContact O-OG1 2.88Å; Y185-T187 VanDerWaalsContact C-N 3.35Å; T187-C189 PolarHBondContact O-N 2.77Å; T187-N190 PolarHBondContact O-N 2.79Å; T187-D191 PolarHBondContact O-N 2.9Å
188	I	31.3	Very low	32.3	Very low	78 Å²	78	112.2 Å²	112.2	40%	0.4	57%	0.574	S	S	.	*	H	α-helix	trans	-65.6	-28.4	173.3	-63.5	175.1	0	0	0	111.3	F183 Q186	F183-I188 HydrophobicContact CE1-CD1 4.1Å; F183-I188 HydrophobicContact CE1-CG1 4.48Å; Q186-I188 VanDerWaalsContact C-N 3.34Å; Q186-I188 PolarHBondContact O-N 2.94Å
189	C	33.5	Very low	32.1	Very low	56 Å²	56	116.7 Å²	116.7	38%	0.378	59%	0.592	S	S	.	*	H	α-helix	trans	-79.9	-22.3	177.7	-65.4	0	0	0	0	113.4	Q186 T187	Q186-C189 WeakPolarHBondContact O-CB 3.43Å; Q186-C189 PolarHBondContact O-N 3.13Å; T187-C189 PolarHBondContact O-N 2.77Å
190	N	32.2	Very low	31.9	Very low	103 Å²	103	116.6 Å²	116.6	55%	0.551	59%	0.592	S	S	*	*	H	α-helix	trans	-89.6	-35.7	-174.7	-74.2	-13.8	0	0	0	113.6	Q186 T187 T192 F193	Q186-N190 PolarHBondContact O-N 3.46Å; Q186-N190 VanDerWaalsContact O-N 3.16Å; T187-N190 PolarHBondContact O-N 2.79Å; N190-T192 PolarHBondContact O-N 3.33Å; N190-T192 VanDerWaalsContact O-N 3.08Å; N190-F193 PolarHBondContact O-N 2.78Å; N190-F193 VanDerWaalsContact O-N 3.15Å
191	D	30.6	Very low	31.5	Very low	136 Å²	136	122.3 Å²	122.3	73%	0.727	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-3.5	-177.2	-77.6	-10.1	0	0	0	114.2	T187	T187-D191 PolarHBondContact O-N 2.9Å
192	T	36.9	Very low	31.3	Very low	78 Å²	78	123 Å²	123	48%	0.479	62%	0.62	S	S	.	*	T	Hydrogen-bonded Turn	trans	-118	5	172.4	43.8	0	0	0	0	114.4	N190 R196	N190-T192 PolarHBondContact O-N 3.33Å; N190-T192 VanDerWaalsContact O-N 3.08Å; T192-R196 PolarHBondContact O-NE 2.86Å; T192-R196 PolarHBondContact O-NH2 2.87Å
193	F	30.4	Very low	31.3	Very low	142 Å²	142	121.5 Å²	121.5	62%	0.623	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-31.5	-179	-161.8	-101.1	0	0	0	113.6	N190 L197	N190-F193 PolarHBondContact O-N 2.78Å; N190-F193 VanDerWaalsContact O-N 3.15Å; F193-L197 HydrophobicContact CE1-CD1 4.2Å
194	Q	32	Very low	31	Very low	160 Å²	160	124.6 Å²	124.6	75%	0.748	64%	0.642	S	S	*	*	S	Bend	trans	-83.8	-33.9	-179.4	-75.2	-138.5	-28.6	0	0	114.8	R196 L197	Q194-R196 VanDerWaalsContact C-N 3.31Å; Q194-R196 PolarHBondContact O-N 3.13Å; Q194-L197 PolarHBondContact O-N 3.29Å
195	D	34.3	Very low	30.9	Very low	129 Å²	129	125.8 Å²	125.8	69%	0.69	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-14.5	-176.4	-83.1	-11.5	0	0	0	114.5	T198	D195-T198 PolarHBondContact O-OG1 3.08Å
196	R	31.8	Very low	30.6	Very low	179 Å²	179	129.2 Å²	129.2	68%	0.675	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-10.8	177.1	-83.9	-171.7	-74.9	-133.2	3.4	114.9	T192 Q194	T192-R196 PolarHBondContact O-NE 2.86Å; T192-R196 PolarHBondContact O-NH2 2.87Å; Q194-R196 VanDerWaalsContact C-N 3.31Å; Q194-R196 PolarHBondContact O-N 3.13Å
197	L	30.3	Very low	30.4	Very low	118 Å²	118	128.2 Å²	128.2	62%	0.618	69%	0.685	S	S	*	*	S	Bend	trans	-86.7	-12.3	176.7	-86.6	162.4	0	0	0	113.7	F193 Q194	F193-L197 HydrophobicContact CE1-CD1 4.2Å; Q194-L197 PolarHBondContact O-N 3.29Å
198	T	33.3	Very low	29.9	Very low	112 Å²	112	132.4 Å²	132.4	69%	0.687	70%	0.704	S	S	*	*	S	Bend	trans	-94.6	-4.8	-178.9	44.9	0	0	0	0	114.8	D195	D195-T198 PolarHBondContact O-OG1 3.08Å
199	Q	32.2	Very low	29.7	Very low	180 Å²	180	133.3 Å²	133.3	84%	0.841	72%	0.724	S	S	*	*	S	Bend	trans	-114.1	10.8	-175.9	-70.6	-168.5	1.4	0	0	116.9
200	S	27.9	Very low	29.2	Very low	95 Å²	95	139.7 Å²	139.7	66%	0.664	75%	0.745	S	S	*	*	S	Bend	trans	-133.1	13.2	179.6	65	0	0	0	0	117.1	L202	S200-L202 PolarHBondContact O-N 3.14Å
201	K	27.9	Very low	28.8	Very low	194 Å²	194	140.1 Å²	140.1	84%	0.843	75%	0.752	S	S	*	*			trans	-96.6	63.4	165.5	-75.7	-170	177.7	-177.6	0	111.6
202	L	26.5	Very low	28.5	Very low	169 Å²	169	142 Å²	142	89%	0.885	76%	0.756	S	S	*	*			trans	-143.3	87.9	162.2	-82.9	172.8	0	0	0	108.1	S200	S200-L202 PolarHBondContact O-N 3.14Å
203	S	27.1	Very low	27.8	Very low	111 Å²	111	142.1 Å²	142.1	78%	0.776	77%	0.773	S	S	*	*			trans	-176.4	87.1	143.8	58.4	0	0	0	0	107.7	S205	S203-S205 PolarHBondContact O-N 3.09Å
204	D	25.9	Very low	27.5	Very low	166 Å²	166	141 Å²	141	89%	0.888	78%	0.783	S	S	*	*			trans	-60.7	117.3	159.7	-65.8	-46.7	0	0	0	108.2
205	S	28.4	Very low	27.2	Very low	110 Å²	110	142.7 Å²	142.7	77%	0.769	79%	0.788	S	S	*	*			trans	-142.3	95.1	155.7	65.7	0	0	0	0	108	S203	S203-S205 PolarHBondContact O-N 3.09Å
206	E	24	Very low	26.9	Very low	184 Å²	184	145.9 Å²	145.9	86%	0.86	80%	0.798	S	S	*	*			trans	-48.1	133	169.7	-62.1	166.7	141.8	0	0	111.4
207	S	28.3	Very low	26.5	Very low	117 Å²	117	142.8 Å²	142.8	82%	0.818	80%	0.799	S	S	*	*			trans	-156.1	102.2	139.4	45.3	0	0	0	0	108.9
208	D	23.5	Very low	26.2	Very low	163 Å²	163	145 Å²	145	87%	0.872	81%	0.812	S	S	*	*			trans	-55.5	127.3	169.2	-73	-52.2	0	0	0	111.8
209	A	27.8	Very low	25.9	Very low	98 Å²	98	143.5 Å²	143.5	81%	0.81	82%	0.818	S	S	*	*			trans	-149.6	70	158.7	0	0	0	0	0	111
210	F	22.7	Very low	25.4	Very low	189 Å²	189	142.1 Å²	142.1	83%	0.829	82%	0.816	S	S	*	*			trans	23.5	104.4	136	-140.6	-99.4	0	0	0	120
211	V	22.7	Very low	25.4	Very low	113 Å²	113	143.4 Å²	143.4	69%	0.685	82%	0.824	S	S	*	*				24	120.5	128.3	-169.8	0	0	0	0	119
212	Q	25.6	Very low	25.4	Very low	175 Å²	175	141.9 Å²	141.9	82%	0.818	82%	0.82	S	S	*	*				-172.6	112.4	113.4	-102.2	-178.7	-3.4	0	0	112
213	G	20.6	Very low	25.4	Very low	81 Å²	81	143.2 Å²	143.2	84%	0.835	82%	0.822	S	S	*	*			trans	-72.2	142.8	165.9	0	0	0	0	0	111.6
214	S	25.7	Very low	25.4	Very low	119 Å²	119	142.1 Å²	142.1	83%	0.832	81%	0.814	S	S	*	*			trans	-129.5	122	167.4	-67.8	0	0	0	0	109.4
215	K	23.9	Very low	25.3	Very low	194 Å²	194	140.5 Å²	140.5	84%	0.843	81%	0.814	S	S	*	*			trans	-56.6	144	179.3	-66.2	164	171.3	174.1	0	111.8
216	H	27.8	Very low	25.3	Very low	196 Å²	196	143.3 Å²	143.3	91%	0.907	82%	0.815	S	S	*	*			trans	-155.2	97.2	133.2	-101	-68.6	0	0	0	110.1
217	T	24.5	Very low	25.4	Very low	114 Å²	114	139.6 Å²	139.6	70%	0.699	81%	0.809	S	S	*	*			trans	-79.8	137	157.2	50.2	0	0	0	0	108.4
218	N	23	Very low	25.4	Very low	166 Å²	166	142.4 Å²	142.4	89%	0.888	81%	0.809	S	S	*	*			trans	164.4	125.4	135.8	-83.7	-12.1	0	0	0	110.5
219	G	27.2	Very low	25.5	Very low	79 Å²	79	142.1 Å²	142.1	81%	0.814	81%	0.808	S	S	*	*			trans	163.4	51.2	171.6	0	0	0	0	0	114
220	L	23.1	Very low	25.5	Very low	152 Å²	152	145.3 Å²	145.3	80%	0.796	81%	0.81	S	S	*	*			trans	-73.8	125.2	171.4	-75	155.1	0	0	0	110.1
221	S	28.2	Very low	25.5	Very low	121 Å²	121	141.8 Å²	141.8	85%	0.846	81%	0.808	S	S	*	*			trans	-137.1	86.1	149.6	63.6	0	0	0	0	108.9
222	H	26.2	Very low	25.6	Very low	162 Å²	162	147.3 Å²	147.3	75%	0.75	82%	0.816	S	S	*	*			trans	-68.7	120	168.4	-99.6	-103.8	0	0	0	109.6
223	Q	28.2	Very low	25.6	Very low	198 Å²	198	150.8 Å²	150.8	93%	0.925	82%	0.822	S	S	*	*			trans	-118.6	104.3	150	-81	-170.7	-10.7	0	0	107.9	C225	Q223-C225 PolarHBondContact O-N 3.42Å
224	S	25.6	Very low	25.7	Very low	87 Å²	87	157.9 Å²	157.9	61%	0.608	83%	0.825	S	S	*	*			trans	-72.2	110	176.8	51	0	0	0	0	110.3	H226	S224-H226 PolarHBondContact O-N 3.27Å
225	C	25	Very low	25.5	Very low	132 Å²	132	157.1 Å²	157.1	89%	0.892	82%	0.82	S	S	*	*			trans	-79.1	108.2	163.3	-86.2	0	0	0	0	109	Q223 S227	Q223-C225 PolarHBondContact O-N 3.42Å; C225-S227 PolarHBondContact O-N 3.3Å
226	H	28.6	Very low	25.6	Very low	169 Å²	169	152.9 Å²	152.9	78%	0.782	82%	0.815	S	S	*	*			trans	-65	120.1	171.2	-82.1	-52	0	0	0	111	S224	S224-H226 PolarHBondContact O-N 3.27Å
227	S	24.7	Very low	25.5	Very low	106 Å²	106	155.3 Å²	155.3	74%	0.741	82%	0.816	S	S	*	*			trans	-55.2	128.9	157	23.2	0	0	0	0	111	C225	C225-S227 PolarHBondContact O-N 3.3Å
228	H	28.7	Very low	25.4	Very low	177 Å²	177	156.7 Å²	156.7	82%	0.819	82%	0.824	S	S	*	*			trans	-144	112.9	155.7	-109.5	95.5	0	0	0	110	L230	H228-L230 PolarHBondContact O-N 3.38Å
229	N	26.1	Very low	25.5	Very low	157 Å²	157	154.3 Å²	154.3	84%	0.84	82%	0.82	S	S	*	*			trans	-54.5	125.1	162.3	-75	-60.6	0	0	0	110.3
230	L	28.3	Very low	25.4	Very low	164 Å²	164	162.6 Å²	162.6	86%	0.859	83%	0.827	S	S	*	*			trans	-143.9	82.8	157.5	-100.3	161	0	0	0	109.1	H228	H228-L230 PolarHBondContact O-N 3.38Å
231	C	22.1	Very low	25.5	Very low	116 Å²	116	164.6 Å²	164.6	78%	0.784	83%	0.832	S	S	*	*			trans	-71.9	146.6	157.1	-162.7	0	0	0	0	108.8
232	R	23.8	Very low	25.3	Very low	229 Å²	229	170 Å²	170	86%	0.864	83%	0.834	S	S	*	*			trans	84.4	104.8	174.7	-58.3	-179.4	174.2	178.2	-1.7	117.5
233	R	25.4	Very low	25.2	Very low	248 Å²	248	167.5 Å²	167.5	94%	0.936	83%	0.834	S	S	*	*				-168	112.8	107.5	-100.5	172.6	-168.8	176.2	4.3	110.4	S235	R233-S235 PolarHBondContact O-N 2.84Å
234	Y	22.9	Very low	25.2	Very low	229 Å²	229	166.1 Å²	166.1	90%	0.898	83%	0.828	S	S	*	*			trans	-51.4	128.3	152.2	-93.5	-102.3	0	0	0	109.5
235	S	23	Very low	25.1	Very low	104 Å²	104	170.6 Å²	170.6	73%	0.727	84%	0.839	S	S	*	*				158	128.1	120.8	-88.5	0	0	0	0	112.2	R233	R233-S235 PolarHBondContact O-N 2.84Å
236	S	25.8	Very low	25.1	Very low	105 Å²	105	174.2 Å²	174.2	73%	0.734	84%	0.84	S	S	*	*			trans	55.9	98	145.8	61.8	0	0	0	0	119.2
237	R	24.7	Very low	24.9	Very low	247 Å²	247	171 Å²	171	93%	0.932	84%	0.837	S	S	*	*				172.7	90.7	119	-96.3	168.1	175.1	170.8	-0.2	109.6
238	V	23.7	Very low	24.8	Very low	142 Å²	142	176.8 Å²	176.8	86%	0.861	84%	0.842	S	S	*	*			trans	-116.8	101.4	162	177.6	0	0	0	0	107.2
239	S	24.6	Very low	24.6	Very low	116 Å²	116	176.5 Å²	176.5	81%	0.811	85%	0.845	S	S	*	*			trans	-167	91	152	-8.8	0	0	0	0	110.4
240	R	24.7	Very low	24.6	Very low	254 Å²	254	176.4 Å²	176.4	96%	0.958	84%	0.839	S	S	*	*			trans	-151.4	72.8	147.6	-82.4	-163.3	175	163.5	-2.2	108
241	Q	25.3	Very low	24.4	Very low	194 Å²	194	173.2 Å²	173.2	91%	0.907	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-97.7	117.7	162.3	-85.6	-174.8	-26.3	0	0	108.4
242	R	24.8	Very low	24.7	Very low	235 Å²	235	175.6 Å²	175.6	89%	0.887	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-82.1	123.5	166.3	-82.1	-177.1	173.2	-178.9	-2.2	108
243	S	23.1	Very low	24.7	Very low	108 Å²	108	172.2 Å²	172.2	76%	0.755	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-51	129.3	162.9	50.2	0	0	0	0	112.2
244	H	28.3	Very low	25	Very low	170 Å²	170	169.4 Å²	169.4	79%	0.787	83%	0.832	S	S	*	*			trans	-131.9	130.9	145.9	-84.2	-66.4	0	0	0	109.7
245	Q	23.8	Very low	25.1	Very low	181 Å²	181	164.9 Å²	164.9	85%	0.846	83%	0.828	S	S	*	*			trans	-57.8	135.1	-178.6	-66	152.6	-50.2	0	0	110.9
246	F	24.8	Very low	25.2	Very low	207 Å²	207	167.5 Å²	167.5	91%	0.908	83%	0.834	S	S	*	*			trans	-131.5	121	150.5	-92.8	-81.3	0	0	0	109.7
247	S	24.5	Very low	25.1	Very low	102 Å²	102	171.3 Å²	171.3	71%	0.713	84%	0.84	S	S	*	*			trans	-84.3	144.5	-178.1	46.4	0	0	0	0	111.6
248	R	21.7	Very low	25	Very low	228 Å²	228	169.5 Å²	169.5	86%	0.86	84%	0.84	S	S	*	*			trans	8.9	119.2	153.4	-78.4	179.3	176.4	169.2	-2	117.2
249	I	25.4	Very low	25	Very low	170 Å²	170	170.5 Å²	170.5	87%	0.872	84%	0.839	S	S	*	*			trans	-115.1	129.9	152	-62.3	177.5	0	0	0	107.1
250	H	25.3	Very low	25	Very low	156 Å²	156	170.5 Å²	170.5	72%	0.722	84%	0.837	S	S	*	*			trans	-74.7	149.7	-179.2	-100.2	-90.9	0	0	0	111.5
251	S	24.9	Very low	24.8	Very low	97 Å²	97	163.5 Å²	163.5	68%	0.678	83%	0.833	S	S	*	*			trans	-55.1	134.3	165.6	49.1	0	0	0	0	112.7
252	D	28.3	Very low	24.6	Very low	165 Å²	165	159.6 Å²	159.6	88%	0.882	83%	0.827	S	S	*	*			trans	-128	127.9	154.5	-79.4	-38.4	0	0	0	108.8
253	D	24.8	Very low	24.6	Very low	159 Å²	159	153.7 Å²	153.7	85%	0.85	82%	0.822	S	S	*	*			trans	-65	130	171.4	-70.4	-52.2	0	0	0	110.2
254	E	30.4	Very low	24.5	Very low	189 Å²	189	159.9 Å²	159.9	88%	0.883	83%	0.83	S	S	*	*			trans	-139.7	127.5	149.6	-78.5	-161.2	158.4	0	0	111.3
255	T	24.7	Very low	24.2	Very low	133 Å²	133	156.6 Å²	156.6	82%	0.816	83%	0.827	S	S	*	*			trans	-69.5	114	-178.2	46.9	0	0	0	0	111.3	E257	T255-E257 PolarHBondContact O-N 2.95Å
256	N	26.4	Very low	24.2	Very low	159 Å²	159	156.1 Å²	156.1	85%	0.85	83%	0.83	S	S	*	*			trans	-88.6	100.4	168.3	-83.9	-35.2	0	0	0	110.1
257	E	23.9	Very low	24.3	Very low	186 Å²	186	154.5 Å²	154.5	87%	0.869	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-64.2	129.9	164.2	-80	-176.1	145	0	0	110.4	T255	T255-E257 PolarHBondContact O-N 2.95Å
258	F	22.3	Very low	24.2	Very low	209 Å²	209	158.9 Å²	158.9	92%	0.917	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-72.5	121.3	174.8	-84.2	-100.1	0	0	0	110.7
259	L	23.2	Very low	24.6	Very low	163 Å²	163	158.4 Å²	158.4	85%	0.853	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-94.8	139	167	-75.6	167.2	0	0	0	110.7
260	P	24.8	Very low	24.9	Very low	116 Å²	116	156.1 Å²	156.1	75%	0.753	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-85.4	146	-170.6	33.6	-33.9	0	0	0	113.2	S262	P260-S262 PolarHBondContact O-N 3.32Å
261	A	21.3	Very low	25.2	Very low	107 Å²	107	154.5 Å²	154.5	88%	0.884	83%	0.832	S	S	*	*			trans	-78.1	113.2	178.3	0	0	0	0	0	112.4
262	S	20.4	Very low	25.5	Very low	112 Å²	112	157.4 Å²	157.4	78%	0.783	84%	0.839	S	S	*	*			trans	-158.4	129.1	158.3	58	0	0	0	0	105	P260	P260-S262 PolarHBondContact O-N 3.32Å
263	S	23.8	Very low	26	Very low	111 Å²	111	153.1 Å²	153.1	78%	0.776	82%	0.816	S	S	*	*			cis	-161.2	130.3	34.4	44	0	0	0	0	108	S265	S263-S265 PolarHBondContact O-N 3.47Å
264	Y	22	Very low	26.8	Very low	238 Å²	238	152.1 Å²	152.1	93%	0.933	81%	0.81	S	S	*	*			trans	-71.7	118.5	174.5	-81.1	-97.8	0	0	0	110.3
265	S	22.6	Very low	27.5	Very low	101 Å²	101	151.3 Å²	151.3	71%	0.706	80%	0.804	S	S	*	*			trans	-104.6	125.5	163.8	51.4	0	0	0	0	109.3	S263 E267	S263-S265 PolarHBondContact O-N 3.47Å; S265-E267 PolarHBondContact O-N 2.99Å
266	N	22.5	Very low	28.9	Very low	170 Å²	170	148.7 Å²	148.7	91%	0.909	79%	0.791	S	S	*	*			trans	-59.3	121.3	178	-63.8	-47	0	0	0	111.1
267	E	26.1	Very low	30.4	Very low	174 Å²	174	145.6 Å²	145.6	81%	0.813	77%	0.774	S	S	*	*			trans	-115.3	133.7	165	-72.3	-166.5	166.4	0	0	110.2	S265	S265-E267 PolarHBondContact O-N 2.99Å
268	E	23.9	Very low	32.3	Very low	194 Å²	194	138.1 Å²	138.1	91%	0.907	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-61.9	138.1	-174.6	-78.4	170.4	134.1	0	0	113.2
269	Y	29.9	Very low	34.4	Very low	217 Å²	217	129.9 Å²	129.9	85%	0.851	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-77.9	129.3	-176.3	-69.6	-89.4	0	0	0	112.2
270	P	31.7	Very low	36.5	Very low	123 Å²	123	122.2 Å²	122.2	80%	0.799	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-78.7	128.2	171.8	20.6	-12.8	0	0	0	111.1
271	T	30.6	Very low	38.3	Very low	122 Å²	122	119.2 Å²	119.2	75%	0.748	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-78.5	157.6	171.8	44.6	0	0	0	0	112
272	D	31.9	Very low	40.2	Very low	157 Å²	157	119 Å²	119	84%	0.84	63%	0.631	S	S	*	*			trans	80.6	76.9	170.9	-56.7	-26.1	0	0	0	117.4
273	I	38.9	Very low	42.1	Very low	76 Å²	76	114.2 Å²	114.2	39%	0.39	60%	0.597	S	S	.	*			trans	-100.8	121.2	158.7	-61.8	175.2	0	0	0	108.4	K275 Y306	I273-K275 PolarHBondContact O-N 3.5Å; I273-Y306 VanDerWaalsContact CG2-OH 3.26Å; I273-Y306 WeakPolarHBondContact CG2-OH 3.25Å
274	D	41.8	Very low	43.5	Very low	137 Å²	137	111 Å²	111	73%	0.733	57%	0.571	S	S	*	*			trans	-56.8	115.5	175.5	-163.8	3.9	0	0	0	110.2	S276	D274-S276 PolarHBondContact O-N 3Å
275	K	44.8	Very low	44.7	Very low	172 Å²	172	101.7 Å²	101.7	75%	0.748	54%	0.54	S	S	*	.			trans	-75.6	34.5	-172.6	-73.1	-175.6	177.1	177.2	0	113.2	I273 D277	I273-K275 PolarHBondContact O-N 3.5Å; K275-D277 PolarHBondContact O-N 2.96Å
276	S	54.4	Low	45.8	Very low	79 Å²	79	102 Å²	102	55%	0.552	53%	0.529	S	S	*	.	S	Bend	trans	-72.7	111	169.1	67.8	0	0	0	0	108.5	D274 L278	D274-S276 PolarHBondContact O-N 3Å; S276-L278 PolarHBondContact O-N 3.41Å
277	D	56.9	Low	46.7	Very low	93 Å²	93	97 Å²	97	50%	0.497	51%	0.508	S	S	.	.			trans	-21.1	101.3	170.5	-88.9	-2.5	0	0	0	113.7	V39 K41 K275 N279	V39-D277 HydrophobicContact CG1-CB 3.58Å; K41-D277 IonicContact NZ-OD1 3.38Å; K41-D277 PolarHBondContact NZ-OD1 2.95Å; K41-D277 IonicContact NZ-OD2 2.76Å; K41-D277 PolarHBondContact NZ-OD2 3.31Å; K275-D277 PolarHBondContact O-N 2.96Å; D277-N279 PolarHBondContact O-N 3.18Å
278	L	63.9	Low	47.2	Very low	30 Å²	30	94.9 Å²	94.9	16%	0.157	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	118.6	-174.2	-125.7	82.6	0	0	0	109.7	I40 S276 L283 Y306	I40-L278 PolarHBondContact N-O 3.31Å; S276-L278 PolarHBondContact O-N 3.41Å; L278-L283 HydrophobicContact CD2-CD1 4.26Å; L278-L283 HydrophobicContact CD2-CD2 4.02Å; L278-L283 HydrophobicContact CD2-CG 4.06Å; L278-Y306 HydrophobicContact CD1-CE1 4.44Å; L278-Y306 HydrophobicContact CD2-CD1 4.19Å; L278-Y306 HydrophobicContact CD2-CE1 3.57Å
279	N	67.7	Low	47.8	Very low	36 Å²	36	94.2 Å²	94.2	19%	0.193	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	142.1	173.6	-161.1	1.8	0	0	0	110.2	E36 I38 D277 A281 H282	E36-N279 PolarHBondContact O-ND2 3.12Å; E36-N279 PolarHBondContact O-OD1 3.41Å; I38-N279 PolarHBondContact O-OD1 3.47Å; D277-N279 PolarHBondContact O-N 3.18Å; N279-A281 PolarHBondContact O-N 3.41Å; N279-H282 WeakPolarHBondContact O-CB 3.41Å; N279-H282 PolarHBondContact O-N 3.33Å
280	L	67	Low	48	Very low	2 Å²	2	92.7 Å²	92.7	1%	0.01	50%	0.499	C	S	.	.	H	α-helix	trans	-54.3	-40.4	-176.9	-170.8	76.9	0	0	0	112.6	C35 I38 I40 M66 I99 H282 L283 L284	C35-L280 HydrophobicContact CB-CD2 3.62Å; C35-L280 WeakPolarHBondContact O-CB 3.4Å; C35-L280 WeakPolarHBondContact O-CD2 3.49Å; I38-L280 WeakPolarHBondContact O-CB 3.42Å; I38-L280 PolarHBondContact O-N 3.15Å; I40-L280 HydrophobicContact CD1-CD1 3.64Å; I40-L280 HydrophobicContact CG1-CD1 4.44Å; M66-L280 HydrophobicContact CE-CD1 3.76Å; M66-L280 HydrophobicContact SD-CD1 4.04Å; I99-L280 HydrophobicContact CD1-CD1 3.8Å; I99-L280 HydrophobicContact CD1-CD2 3.37Å; I99-L280 HydrophobicContact CD1-CG 4.03Å; I99-L280 HydrophobicContact CG1-CD2 3.77Å; L280-H282 PolarHBondContact O-N 2.67Å; L280-L283 PolarHBondContact O-N 3.19Å; L280-L284 HydrophobicContact CD1-CD2 4.21Å; L280-L284 HydrophobicContact CD2-CD1 4.1Å; L280-L284 HydrophobicContact CD2-CD2 4.35Å; L280-L284 HydrophobicContact CD2-CG 4.49Å; L280-L284 HydrophobicContact CG-CD1 4.17Å; L280-L284 HydrophobicContact CG-CD2 3.83Å; L280-L284 HydrophobicContact CG-CG 4.04Å; L280-L284 VanDerWaalsContact O-CG 3.3Å; L280-L284 WeakPolarHBondContact O-CG 3.44Å; L280-L284 PolarHBondContact O-N 2.86Å
281	A	61.6	Low	48	Very low	53 Å²	53	91.6 Å²	91.6	44%	0.438	49%	0.49	S	S	.	.	H	α-helix	trans	-50.3	-28.3	177.4	0	0	0	0	0	113.9	N279	N279-A281 PolarHBondContact O-N 3.41Å
282	H	62	Low	48	Very low	101 Å²	101	93.2 Å²	93.2	47%	0.468	49%	0.494	S	S	.	.	H	α-helix	trans	-71	-33.9	176.4	-74.2	-154.4	0	0	0	112.6	N279 L280 I302	N279-H282 WeakPolarHBondContact O-CB 3.41Å; N279-H282 PolarHBondContact O-N 3.33Å; L280-H282 PolarHBondContact O-N 2.67Å; H282-I302 HydrophobicContact CB-CD1 3.86Å; H282-I302 WeakPolarHBondContact O-CD1 3.18Å; H282-I302 VanDerWaalsContact O-CG1 3.32Å; H282-I302 WeakPolarHBondContact O-CG1 3.39Å
283	L	59.1	Low	48	Very low	12 Å²	12	94.5 Å²	94.5	6%	0.063	50%	0.495	C	S	.	.	H	α-helix	trans	-83.9	-18.4	179.1	-66	165.8	0	0	0	112.8	I40 L278 L280 S285 Y306 L307 I310	I40-L283 HydrophobicContact CD1-CD1 3.1Å; I40-L283 HydrophobicContact CG1-CD1 4.45Å; L278-L283 HydrophobicContact CD2-CD1 4.26Å; L278-L283 HydrophobicContact CD2-CD2 4.02Å; L278-L283 HydrophobicContact CD2-CG 4.06Å; L280-L283 PolarHBondContact O-N 3.19Å; L283-S285 VanDerWaalsContact C-N 3.3Å; L283-S285 PolarHBondContact O-N 2.95Å; L283-Y306 HydrophobicContact CD2-CD1 3.86Å; L283-L307 HydrophobicContact CB-CD2 4.38Å; L283-L307 HydrophobicContact CD1-CD2 3.8Å; L283-L307 HydrophobicContact CD2-CD2 3.78Å; L283-L307 HydrophobicContact CD2-CG 4.32Å; L283-L307 HydrophobicContact CG-CD2 4.2Å; L283-I310 HydrophobicContact CD1-CD1 4.12Å; L283-I310 HydrophobicContact CD2-CD1 4.44Å
284	L	53.4	Low	47.7	Very low	45 Å²	45	98.7 Å²	98.7	24%	0.236	52%	0.518	C	S	.	.	G	3₁₀ helix	trans	-78.8	-1.9	-170.6	-59.2	-163.1	0	0	0	115.7	I99 L280 F286	I99-L284 HydrophobicContact CB-CD1 4.48Å; I99-L284 HydrophobicContact CB-CD2 4.35Å; I99-L284 HydrophobicContact CD1-CD2 4.42Å; I99-L284 HydrophobicContact CG2-CD1 3.9Å; I99-L284 HydrophobicContact CG2-CD2 3.16Å; I99-L284 HydrophobicContact CG2-CG 4.08Å; L280-L284 HydrophobicContact CD1-CD2 4.21Å; L280-L284 HydrophobicContact CD2-CD1 4.1Å; L280-L284 HydrophobicContact CD2-CD2 4.35Å; L280-L284 HydrophobicContact CD2-CG 4.49Å; L280-L284 HydrophobicContact CG-CD1 4.17Å; L280-L284 HydrophobicContact CG-CD2 3.83Å; L280-L284 HydrophobicContact CG-CG 4.04Å; L280-L284 VanDerWaalsContact O-CG 3.3Å; L280-L284 WeakPolarHBondContact O-CG 3.44Å; L280-L284 PolarHBondContact O-N 2.86Å; L284-F286 PolarHBondContact O-N 3.42Å
285	S	48.5	Very low	47.4	Very low	41 Å²	41	98.1 Å²	98.1	29%	0.287	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-63.5	0.3	173.1	58.2	0	0	0	0	113.8	L283 S287 I301 I302	L283-S285 VanDerWaalsContact C-N 3.3Å; L283-S285 PolarHBondContact O-N 2.95Å; S285-S287 VanDerWaalsContact C-N 3.34Å; S285-S287 PolarHBondContact O-N 3.39Å; S285-I301 VanDerWaalsContact OG-CA 3.3Å; S285-I301 WeakPolarHBondContact OG-CA 3.48Å; S285-I301 WeakPolarHBondContact OG-CG2 3.48Å; S285-I302 PolarHBondContact OG-N 3.41Å; S285-I302 PolarHBondContact OG-O 3.19Å
286	F	46.2	Very low	46.8	Very low	108 Å²	108	95.2 Å²	95.2	47%	0.474	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-71.4	-16	180	-138.6	-101.3	0	0	0	115.6	L284 F304	L284-F286 PolarHBondContact O-N 3.42Å; F286-F304 HydrophobicContact CD1-CD2 4.06Å; F286-F304 HydrophobicContact CD2-CB 4.27Å; F286-F304 HydrophobicContact CD2-CD2 4.47Å; F286-F304 HydrophobicContact CE1-CB 4.12Å; F286-F304 AromaticContact CE1-CD2 3.46Å; F286-F304 HydrophobicContact CE1-CD2 3.46Å; F286-F304 VanDerWaalsContact CE1-CD2 3.46Å; F286-F304 HydrophobicContact CE1-CE2 4.28Å; F286-F304 HydrophobicContact CE1-CG 4.08Å; F286-F304 HydrophobicContact CE2-CB 3.31Å; F286-F304 HydrophobicContact CE2-CD2 4.03Å; F286-F304 HydrophobicContact CE2-CG 4.12Å; F286-F304 HydrophobicContact CZ-CB 3.23Å; F286-F304 AromaticContact CZ-CD2 3.52Å; F286-F304 HydrophobicContact CZ-CD2 3.52Å; F286-F304 AromaticContact CZ-CG 3.68Å; F286-F304 HydrophobicContact CZ-CG 3.68Å
287	S	39.7	Very low	46.1	Very low	66 Å²	66	96 Å²	96	46%	0.462	53%	0.53	S	S	.	.	G	3₁₀ helix	trans	-96.1	-7.2	-165.8	-174.7	0	0	0	0	116.6	S285 Q289	S285-S287 VanDerWaalsContact C-N 3.34Å; S285-S287 PolarHBondContact O-N 3.39Å; S287-Q289 PolarHBondContact O-N 3.48Å
288	N	37.4	Very low	45.1	Very low	128 Å²	128	97.5 Å²	97.5	68%	0.684	55%	0.548	S	S	*	.			trans	-102.2	67.4	-176.5	-74.9	-9.2	0	0	0	112	T291	N288-T291 PolarHBondContact OD1-OG1 3.41Å
289	Q	37.2	Very low	43.7	Very low	180 Å²	180	103.7 Å²	103.7	84%	0.841	57%	0.573	S	S	*	*	S	Bend	trans	-103.3	77.6	147.7	-73.5	-173.6	-14.1	0	0	106.6	S287	S287-Q289 PolarHBondContact O-N 3.48Å
290	H	34.3	Very low	42.1	Very low	186 Å²	186	107.7 Å²	107.7	86%	0.861	60%	0.601	S	S	*	*	S	Bend	trans	165.6	9.1	152.9	-95.7	-61.8	0	0	0	116.8
291	T	30.9	Very low	40.9	Very low	99 Å²	99	113.6 Å²	113.6	61%	0.607	63%	0.631	S	S	*	*			trans	-107.6	93.6	173.7	46	0	0	0	0	111	N288	N288-T291 PolarHBondContact OD1-OG1 3.41Å
292	D	31.1	Very low	40	Very low	157 Å²	157	112.9 Å²	112.9	84%	0.84	62%	0.62	S	S	*	*			trans	-52.7	139.6	158.8	-77	-42.6	0	0	0	109.8
293	E	32	Very low	39.5	Very low	184 Å²	184	111.8 Å²	111.8	86%	0.86	62%	0.621	S	S	*	*			trans	62.5	79.2	166.8	-60.3	-173.4	166.5	0	0	117.7
294	L	32.5	Very low	39.1	Very low	164 Å²	164	116 Å²	116	86%	0.859	64%	0.64	S	S	*	*			trans	-145.4	103.2	140.7	-98.9	123.3	0	0	0	110.6	C296	L294-C296 PolarHBondContact O-N 2.77Å
295	S	34.1	Very low	39.1	Very low	125 Å²	125	117.1 Å²	117.1	87%	0.874	65%	0.651	S	S	*	*			trans	-61.7	95.6	167.6	57.3	0	0	0	0	109.9
296	C	33	Very low	39.8	Very low	111 Å²	111	118.2 Å²	118.2	75%	0.75	65%	0.65	S	S	*	*			trans	-138.8	107.6	167.4	-124.9	0	0	0	0	109.7	L294	L294-C296 PolarHBondContact O-N 2.77Å
297	S	40	Very low	40.6	Very low	95 Å²	95	114.4 Å²	114.4	66%	0.664	63%	0.634	S	S	*	*			trans	46.8	97	155.1	165.4	0	0	0	0	116	K299	S297-K299 PolarHBondContact O-N 3.37Å
298	S	35	Very low	41.9	Very low	125 Å²	125	117.5 Å²	117.5	87%	0.874	64%	0.641	S	S	*	*			trans	-41.9	92	165	54	0	0	0	0	113.4
299	K	35	Very low	43.5	Very low	160 Å²	160	113.8 Å²	113.8	70%	0.696	63%	0.625	S	S	*	*			trans	-118.5	133.8	154.7	-76.6	-173.4	178.4	-179.2	0	107.3	S297 I301	S297-K299 PolarHBondContact O-N 3.37Å; K299-I301 PolarHBondContact O-N 3.42Å
300	P	34.3	Very low	45.4	Very low	119 Å²	119	105.9 Å²	105.9	77%	0.773	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-61.3	130.7	-172.5	23.1	-31.4	0	0	0	110.2	I302	P300-I302 PolarHBondContact O-N 3.24Å
301	I	41.5	Very low	47.7	Very low	127 Å²	127	101 Å²	101	65%	0.651	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-64	118.1	174.4	-64	172.5	0	0	0	107.2	S285 K299 P303	S285-I301 VanDerWaalsContact OG-CA 3.3Å; S285-I301 WeakPolarHBondContact OG-CA 3.48Å; S285-I301 WeakPolarHBondContact OG-CG2 3.48Å; K299-I301 PolarHBondContact O-N 3.42Å; I301-P303 WeakPolarHBondContact O-CD 3.38Å
302	I	43.8	Very low	50.3	Low	38 Å²	38	101.1 Å²	101.1	20%	0.195	57%	0.57	C	S	.	*	P	Polyproline II helix	trans	-77.9	122.8	174.7	-55.2	-169.9	0	0	0	108.3	H282 S285 P300 Y306	H282-I302 HydrophobicContact CB-CD1 3.86Å; H282-I302 WeakPolarHBondContact O-CD1 3.18Å; H282-I302 VanDerWaalsContact O-CG1 3.32Å; H282-I302 WeakPolarHBondContact O-CG1 3.39Å; S285-I302 PolarHBondContact OG-N 3.41Å; S285-I302 PolarHBondContact OG-O 3.19Å; P300-I302 PolarHBondContact O-N 3.24Å; I302-Y306 HydrophobicContact CG2-CD1 4.03Å; I302-Y306 HydrophobicContact CG2-CD2 3.95Å; I302-Y306 HydrophobicContact CG2-CG 3.47Å; I302-Y306 VanDerWaalsContact CG2-CG 3.47Å
303	P	50.7	Low	52.8	Low	77 Å²	77	94.4 Å²	94.4	50%	0.5	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-72.7	162.1	-179	11.8	-6.2	0	0	0	113	I301 S305 Y306	I301-P303 WeakPolarHBondContact O-CD 3.38Å; P303-S305 PolarHBondContact O-N 2.78Å; P303-S305 VanDerWaalsContact O-N 3.12Å; P303-Y306 VanDerWaalsContact O-CB 3.28Å; P303-Y306 WeakPolarHBondContact O-CB 3.22Å; P303-Y306 PolarHBondContact O-N 3.04Å
304	F	50.1	Low	55.4	Low	101 Å²	101	89.3 Å²	89.3	44%	0.443	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-34.9	-179.8	-164.9	-116.5	0	0	0	112.1	F286 Y306 L307 Q308	F286-F304 HydrophobicContact CD1-CD2 4.06Å; F286-F304 HydrophobicContact CD2-CB 4.27Å; F286-F304 HydrophobicContact CD2-CD2 4.47Å; F286-F304 HydrophobicContact CE1-CB 4.12Å; F286-F304 AromaticContact CE1-CD2 3.46Å; F286-F304 HydrophobicContact CE1-CD2 3.46Å; F286-F304 VanDerWaalsContact CE1-CD2 3.46Å; F286-F304 HydrophobicContact CE1-CE2 4.28Å; F286-F304 HydrophobicContact CE1-CG 4.08Å; F286-F304 HydrophobicContact CE2-CB 3.31Å; F286-F304 HydrophobicContact CE2-CD2 4.03Å; F286-F304 HydrophobicContact CE2-CG 4.12Å; F286-F304 HydrophobicContact CZ-CB 3.23Å; F286-F304 AromaticContact CZ-CD2 3.52Å; F286-F304 HydrophobicContact CZ-CD2 3.52Å; F286-F304 AromaticContact CZ-CG 3.68Å; F286-F304 HydrophobicContact CZ-CG 3.68Å; F304-Y306 PolarHBondContact O-N 3.22Å; F304-L307 HydrophobicContact CD2-CD1 4.01Å; F304-L307 HydrophobicContact CE2-CD1 3.99Å; F304-L307 WeakPolarHBondContact O-CB 3.28Å; F304-L307 PolarHBondContact O-N 2.82Å; F304-Q308 HydrophobicContact CE1-CG 4.45Å
305	S	53.7	Low	57.9	Low	69 Å²	69	82.6 Å²	82.6	48%	0.483	48%	0.476	S	S	.	.	H	α-helix	trans	-53.2	-25.3	178	51.2	0	0	0	0	111.8	P303 Q308 S309	P303-S305 PolarHBondContact O-N 2.78Å; P303-S305 VanDerWaalsContact O-N 3.12Å; S305-Q308 WeakPolarHBondContact O-CB 3.14Å; S305-Q308 PolarHBondContact O-N 2.9Å; S305-S309 PolarHBondContact O-N 3.08Å
306	Y	62.6	Low	60.3	Low	64 Å²	64	79.3 Å²	79.3	25%	0.251	45%	0.447	S	S	.	.	H	α-helix	trans	-73.2	-33.9	175.3	-153.5	-87	0	0	0	113.5	I273 L278 L283 I302 P303 F304 Q308 S309 I310	I273-Y306 VanDerWaalsContact CG2-OH 3.26Å; I273-Y306 WeakPolarHBondContact CG2-OH 3.25Å; L278-Y306 HydrophobicContact CD1-CE1 4.44Å; L278-Y306 HydrophobicContact CD2-CD1 4.19Å; L278-Y306 HydrophobicContact CD2-CE1 3.57Å; L283-Y306 HydrophobicContact CD2-CD1 3.86Å; I302-Y306 HydrophobicContact CG2-CD1 4.03Å; I302-Y306 HydrophobicContact CG2-CD2 3.95Å; I302-Y306 HydrophobicContact CG2-CG 3.47Å; I302-Y306 VanDerWaalsContact CG2-CG 3.47Å; P303-Y306 VanDerWaalsContact O-CB 3.28Å; P303-Y306 WeakPolarHBondContact O-CB 3.22Å; P303-Y306 PolarHBondContact O-N 3.04Å; F304-Y306 PolarHBondContact O-N 3.22Å; Y306-Q308 PolarHBondContact O-N 3.1Å; Y306-S309 WeakPolarHBondContact CA-OG 3.25Å; Y306-S309 PolarHBondContact O-N 3.02Å; Y306-S309 VanDerWaalsContact O-N 3.1Å; Y306-S309 PolarHBondContact O-OG 3.22Å; Y306-I310 WeakPolarHBondContact O-CG1 3.48Å; Y306-I310 PolarHBondContact O-N 3.07Å
307	L	64.3	Low	62.4	Low	27 Å²	27	74.4 Å²	74.4	14%	0.141	41%	0.413	C	S	.	.	H	α-helix	trans	-63.2	-28.2	171.9	-70.9	173.8	0	0	0	111.4	F53 L283 F304 I310	F53-L307 HydrophobicContact CE1-CD2 4.25Å; F53-L307 HydrophobicContact CZ-CD2 3.94Å; L283-L307 HydrophobicContact CB-CD2 4.38Å; L283-L307 HydrophobicContact CD1-CD2 3.8Å; L283-L307 HydrophobicContact CD2-CD2 3.78Å; L283-L307 HydrophobicContact CD2-CG 4.32Å; L283-L307 HydrophobicContact CG-CD2 4.2Å; F304-L307 HydrophobicContact CD2-CD1 4.01Å; F304-L307 HydrophobicContact CE2-CD1 3.99Å; F304-L307 WeakPolarHBondContact O-CB 3.28Å; F304-L307 PolarHBondContact O-N 2.82Å; L307-I310 HydrophobicContact CD2-CD1 3.93Å
308	Q	66.1	Low	64.3	Low	132 Å²	132	73.9 Å²	73.9	62%	0.617	40%	0.398	S	S	*	.	H	α-helix	trans	-77.2	-25.3	175.2	-63.3	-180	-35.5	0	0	112.8	F304 S305 Y306	F304-Q308 HydrophobicContact CE1-CG 4.45Å; S305-Q308 WeakPolarHBondContact O-CB 3.14Å; S305-Q308 PolarHBondContact O-N 2.9Å; Y306-Q308 PolarHBondContact O-N 3.1Å
309	S	72.3	Confident	66.1	Low	50 Å²	50	71 Å²	71	35%	0.35	37%	0.371	S	S	.	.	H	α-helix	trans	-86.1	-10.4	178.4	69.4	0	0	0	0	114.2	S305 Y306	S305-S309 PolarHBondContact O-N 3.08Å; Y306-S309 WeakPolarHBondContact CA-OG 3.25Å; Y306-S309 PolarHBondContact O-N 3.02Å; Y306-S309 VanDerWaalsContact O-N 3.1Å; Y306-S309 PolarHBondContact O-OG 3.22Å
310	I	76.9	Confident	67.4	Low	14 Å²	14	65.4 Å²	65.4	7%	0.072	35%	0.348	C	S	.	.	S	Bend	trans	-60.9	125.2	174.8	-66.2	170.9	0	0	0	109	I40 K43 F53 L283 Y306 L307	I40-I310 HydrophobicContact CG2-CD1 4.21Å; I40-I310 HydrophobicContact CG2-CG2 4.44Å; K43-I310 HydrophobicContact CB-CB 4.46Å; K43-I310 HydrophobicContact CB-CG2 4.01Å; F53-I310 HydrophobicContact CD1-CD1 4.16Å; F53-I310 HydrophobicContact CD1-CG2 4.45Å; F53-I310 HydrophobicContact CE1-CD1 3.76Å; L283-I310 HydrophobicContact CD1-CD1 4.12Å; L283-I310 HydrophobicContact CD2-CD1 4.44Å; Y306-I310 WeakPolarHBondContact O-CG1 3.48Å; Y306-I310 PolarHBondContact O-N 3.07Å; L307-I310 HydrophobicContact CD2-CD1 3.93Å
311	P	81.7	Confident	68.8	Low	84 Å²	84	61.6 Å²	61.6	55%	0.545	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-62.9	141.7	-174.9	25.1	-34.5	0	0	0	111.6	K43	K43-P311 PolarHBondContact N-O 2.7Å
312	L	85.1	Confident	69.6	Low	100 Å²	100	59.3 Å²	59.3	52%	0.524	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-72.3	127.3	173.1	-172.2	72.2	0	0	0	109.4	K43	K43-L312 CarbonylContact O-C 3.59Å; K43-L312 WeakPolarHBondContact O-CA 3.35Å
313	I	85	Confident	70	Confident	17 Å²	17	62 Å²	62	9%	0.087	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-86.8	118.8	172.2	-64.8	171.6	0	0	0	107.6	K43 L44 L54	K43-I313 PolarHBondContact O-N 3.11Å; L44-I313 HydrophobicContact CD2-CB 4.11Å; L44-I313 HydrophobicContact CD2-CG2 4.33Å; L54-I313 HydrophobicContact CB-CD1 3.59Å; L54-I313 HydrophobicContact CD2-CD1 3.45Å; L54-I313 VanDerWaalsContact CD2-CD1 3.45Å; L54-I313 HydrophobicContact CG-CD1 4.14Å
314	E	86.3	Confident	69.9	Low	76 Å²	76	60.8 Å²	60.8	36%	0.355	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-73.6	144	178.9	-70.7	-67.6	179	0	0	111.8	K318	E314-K318 HydrophobicContact CB-CD 4.36Å; E314-K318 IonicContact OE1-NZ 2.82Å; E314-K318 WeakPolarHBondContact OE2-CD 3.44Å; E314-K318 WeakPolarHBondContact OE2-CE 3.36Å; E314-K318 IonicContact OE2-NZ 3.19Å; E314-K318 PolarHBondContact OE2-NZ 3.02Å
315	P	84.8	Confident	69.9	Low	24 Å²	24	60.8 Å²	60.8	16%	0.156	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-53.1	140.7	172	-28	35.8	0	0	0	112.6	W317 K318	P315-W317 VanDerWaalsContact C-N 3.27Å; P315-W317 HydrophobicContact CB-CD2 4.26Å; P315-W317 HydrophobicContact CB-CG 4.4Å; P315-W317 HydrophobicContact CB-CZ2 3.95Å; P315-W317 VanDerWaalsContact CB-NE1 3.33Å; P315-W317 HydrophobicContact CG-CZ2 4.12Å; P315-W317 PolarHBondContact O-N 2.86Å; P315-K318 WeakPolarHBondContact O-CB 3.35Å; P315-K318 PolarHBondContact O-N 3.21Å
316	Q	83.5	Confident	69.2	Low	55 Å²	55	62.3 Å²	62.3	26%	0.257	32%	0.324	S	S	.	.	H	α-helix	trans	-59.8	-36.1	-171.1	-173.7	167.3	-11	0	0	113.1	N111 K318 Q319 L320	N111-Q316 HydrophobicContact CB-CB 4.37Å; N111-Q316 PolarHBondContact ND2-OE1 2.82Å; N111-Q316 WeakPolarHBondContact O-CB 3.37Å; N111-Q316 PolarHBondContact O-N 2.89Å; Q316-K318 PolarHBondContact O-N 3.38Å; Q316-Q319 PolarHBondContact O-N 3.49Å; Q316-Q319 VanDerWaalsContact O-N 3.13Å; Q316-L320 HydrophobicContact CG-CD1 4.04Å; Q316-L320 WeakPolarHBondContact O-CD1 3.09Å; Q316-L320 PolarHBondContact O-N 2.85Å
317	W	78.5	Confident	68.1	Low	9 Å²	9	63 Å²	63	3%	0.034	33%	0.334	C	S	.	.	H	α-helix	trans	-61.3	-25	177.3	55.3	-101.8	0	0	0	113.2	G112 L118 A121 L124 V164 P315 I321 F346	G112-W317 PolarHBondContact O-NE1 2.87Å; L118-W317 HydrophobicContact CD1-CD2 4.07Å; L118-W317 HydrophobicContact CD1-CG 4.04Å; A121-W317 HydrophobicContact CB-CE3 4.21Å; A121-W317 HydrophobicContact CB-CH2 3.53Å; A121-W317 HydrophobicContact CB-CZ3 3.31Å; L124-W317 HydrophobicContact CD2-CE3 4.39Å; V164-W317 HydrophobicContact CG2-CB 4.48Å; P315-W317 VanDerWaalsContact C-N 3.27Å; P315-W317 HydrophobicContact CB-CD2 4.26Å; P315-W317 HydrophobicContact CB-CG 4.4Å; P315-W317 HydrophobicContact CB-CZ2 3.95Å; P315-W317 VanDerWaalsContact CB-NE1 3.33Å; P315-W317 HydrophobicContact CG-CZ2 4.12Å; P315-W317 PolarHBondContact O-N 2.86Å; W317-I321 HydrophobicContact CE3-CD1 3.87Å; W317-I321 HydrophobicContact CZ3-CD1 4.23Å; W317-I321 WeakPolarHBondContact O-CG1 3.46Å; W317-I321 PolarHBondContact O-N 3.45Å; W317-F346 HydrophobicContact CB-CE1 4.25Å
318	K	79.8	Confident	66.7	Low	83 Å²	83	65.8 Å²	65.8	36%	0.361	35%	0.349	S	S	.	.	H	α-helix	trans	-68.1	-42	174.8	-71.4	-172.7	-175.4	177.8	0	111.9	E314 P315 Q316 L320 I321 T322	E314-K318 HydrophobicContact CB-CD 4.36Å; E314-K318 IonicContact OE1-NZ 2.82Å; E314-K318 WeakPolarHBondContact OE2-CD 3.44Å; E314-K318 WeakPolarHBondContact OE2-CE 3.36Å; E314-K318 IonicContact OE2-NZ 3.19Å; E314-K318 PolarHBondContact OE2-NZ 3.02Å; P315-K318 WeakPolarHBondContact O-CB 3.35Å; P315-K318 PolarHBondContact O-N 3.21Å; Q316-K318 PolarHBondContact O-N 3.38Å; K318-L320 VanDerWaalsContact C-N 3.27Å; K318-L320 PolarHBondContact O-N 2.93Å; K318-I321 PolarHBondContact O-N 3.24Å; K318-T322 PolarHBondContact O-N 3.01Å; K318-T322 PolarHBondContact O-OG1 3.05Å
319	Q	72.1	Confident	65.4	Low	64 Å²	64	65.4 Å²	65.4	30%	0.299	35%	0.351	S	S	.	.	H	α-helix	trans	-63.5	-38.6	-179.6	-61.1	178.3	3.6	0	0	110.9	Q316 T322 N323	Q316-Q319 PolarHBondContact O-N 3.49Å; Q316-Q319 VanDerWaalsContact O-N 3.13Å; Q319-T322 PolarHBondContact O-N 2.85Å; Q319-T322 PolarHBondContact O-OG1 2.96Å; Q319-N323 PolarHBondContact O-N 3.5Å; Q319-N323 VanDerWaalsContact O-N 3.13Å
320	L	62.9	Low	63.8	Low	43 Å²	43	68.1 Å²	68.1	23%	0.225	37%	0.369	C	S	.	.	H	α-helix	trans	-65.8	-39.9	177.6	-74.6	145.9	0	0	0	112.8	Q316 K318 T322 N323 D324 L344	Q316-L320 HydrophobicContact CG-CD1 4.04Å; Q316-L320 WeakPolarHBondContact O-CD1 3.09Å; Q316-L320 PolarHBondContact O-N 2.85Å; K318-L320 VanDerWaalsContact C-N 3.27Å; K318-L320 PolarHBondContact O-N 2.93Å; L320-T322 VanDerWaalsContact C-N 3.31Å; L320-T322 PolarHBondContact O-N 3.46Å; L320-N323 PolarHBondContact O-N 2.89Å; L320-D324 PolarHBondContact O-N 2.9Å; L320-L344 HydrophobicContact CB-CD1 4.21Å; L320-L344 HydrophobicContact CD1-CD1 3.84Å; L320-L344 HydrophobicContact CD1-CD2 3.58Å; L320-L344 HydrophobicContact CD1-CG 4.36Å; L320-L344 HydrophobicContact CD2-CD2 4.26Å; L320-L344 HydrophobicContact CG-CD1 4.5Å; L320-L344 HydrophobicContact CG-CD2 4.46Å
321	I	63.6	Low	61.8	Low	40 Å²	40	73 Å²	73	21%	0.205	40%	0.395	C	S	.	.	H	α-helix	trans	-60.1	-42.7	174.5	-65	163.1	0	0	0	110.9	L124 W317 K318 N323 D324 L325	L124-I321 HydrophobicContact CB-CD1 4.04Å; L124-I321 HydrophobicContact CD1-CD1 4.2Å; L124-I321 HydrophobicContact CD1-CG1 4.21Å; W317-I321 HydrophobicContact CE3-CD1 3.87Å; W317-I321 HydrophobicContact CZ3-CD1 4.23Å; W317-I321 WeakPolarHBondContact O-CG1 3.46Å; W317-I321 PolarHBondContact O-N 3.45Å; K318-I321 PolarHBondContact O-N 3.24Å; I321-N323 VanDerWaalsContact C-N 3.35Å; I321-D324 PolarHBondContact O-N 2.86Å; I321-L325 HydrophobicContact CG2-CD1 3.78Å; I321-L325 HydrophobicContact CG2-CG 4.36Å; I321-L325 WeakPolarHBondContact O-CB 3.49Å; I321-L325 VanDerWaalsContact O-CG 3.32Å; I321-L325 WeakPolarHBondContact O-CG 3.4Å; I321-L325 PolarHBondContact O-N 3.32Å
322	T	57.2	Low	59.7	Low	79 Å²	79	74.4 Å²	74.4	49%	0.485	40%	0.402	S	S	.	.	H	α-helix	trans	-61.6	-43.4	176.5	-0.5	0	0	0	0	111.9	K318 Q319 L320 L326	K318-T322 PolarHBondContact O-N 3.01Å; K318-T322 PolarHBondContact O-OG1 3.05Å; Q319-T322 PolarHBondContact O-N 2.85Å; Q319-T322 PolarHBondContact O-OG1 2.96Å; L320-T322 VanDerWaalsContact C-N 3.31Å; L320-T322 PolarHBondContact O-N 3.46Å; T322-L326 WeakPolarHBondContact O-CB 3.41Å; T322-L326 VanDerWaalsContact O-CG 3.25Å; T322-L326 WeakPolarHBondContact O-CG 3.34Å; T322-L326 PolarHBondContact O-N 3.31Å
323	N	52.1	Low	57.4	Low	93 Å²	93	80.4 Å²	80.4	50%	0.497	42%	0.418	S	S	.	.	H	α-helix	trans	-67.3	-44.2	179.5	-70.3	-15.1	0	0	0	111.4	Q319 L320 I321 L325 L326 V327	Q319-N323 PolarHBondContact O-N 3.5Å; Q319-N323 VanDerWaalsContact O-N 3.13Å; L320-N323 PolarHBondContact O-N 2.89Å; I321-N323 VanDerWaalsContact C-N 3.35Å; N323-L325 PolarHBondContact O-N 2.91Å; N323-L326 PolarHBondContact O-N 2.86Å; N323-V327 VanDerWaalsContact O-CG2 3.24Å; N323-V327 WeakPolarHBondContact O-CG2 3.41Å; N323-V327 PolarHBondContact O-N 3.44Å
324	D	50.1	Low	55.1	Low	53 Å²	53	84.4 Å²	84.4	28%	0.283	45%	0.447	S	S	.	.	H	α-helix	trans	-65.7	-39.4	178.7	-75.8	-18.6	0	0	0	112.1	L320 I321 V327 L328 P340	L320-D324 PolarHBondContact O-N 2.9Å; I321-D324 PolarHBondContact O-N 2.86Å; D324-V327 PolarHBondContact O-N 3.16Å; D324-L328 WeakPolarHBondContact O-CB 3.16Å; D324-L328 VanDerWaalsContact O-CG 3.31Å; D324-L328 WeakPolarHBondContact O-CG 3.35Å; D324-L328 PolarHBondContact O-N 3.44Å; D324-P340 HydrophobicContact CB-CB 4.26Å
325	L	49.1	Very low	52.6	Low	101 Å²	101	89.6 Å²	89.6	53%	0.529	47%	0.471	S	S	.	.	H	α-helix	trans	-65.1	-37.9	174	-75.6	169.7	0	0	0	112.1	I321 N323 N329	I321-L325 HydrophobicContact CG2-CD1 3.78Å; I321-L325 HydrophobicContact CG2-CG 4.36Å; I321-L325 WeakPolarHBondContact O-CB 3.49Å; I321-L325 VanDerWaalsContact O-CG 3.32Å; I321-L325 WeakPolarHBondContact O-CG 3.4Å; I321-L325 PolarHBondContact O-N 3.32Å; N323-L325 PolarHBondContact O-N 2.91Å; L325-N329 WeakPolarHBondContact O-CB 3.49Å; L325-N329 PolarHBondContact O-N 3.31Å
326	L	40	Very low	50.3	Low	101 Å²	101	95.1 Å²	95.1	53%	0.529	50%	0.498	S	S	.	.	H	α-helix	trans	-66.7	-42.5	173.8	-75.2	168.7	0	0	0	111.4	T322 N323 N329 C330	T322-L326 WeakPolarHBondContact O-CB 3.41Å; T322-L326 VanDerWaalsContact O-CG 3.25Å; T322-L326 WeakPolarHBondContact O-CG 3.34Å; T322-L326 PolarHBondContact O-N 3.31Å; N323-L326 PolarHBondContact O-N 2.86Å; L326-N329 PolarHBondContact O-N 2.76Å; L326-C330 WeakPolarHBondContact O-CB 3.4Å; L326-C330 PolarHBondContact O-N 3.22Å; L326-C330 PolarHBondContact O-SG 3.17Å
327	V	39.1	Very low	47.8	Very low	78 Å²	78	98.4 Å²	98.4	47%	0.473	53%	0.527	S	S	.	.	H	α-helix	trans	-63.5	-42.9	176.3	172.2	0	0	0	0	110.8	N323 D324 C330 L331	N323-V327 VanDerWaalsContact O-CG2 3.24Å; N323-V327 WeakPolarHBondContact O-CG2 3.41Å; N323-V327 PolarHBondContact O-N 3.44Å; D324-V327 PolarHBondContact O-N 3.16Å; V327-C330 PolarHBondContact O-N 2.91Å; V327-L331 HydrophobicContact CG1-CD1 3.72Å; V327-L331 HydrophobicContact CG1-CG 4.5Å; V327-L331 WeakPolarHBondContact O-CB 3.41Å; V327-L331 WeakPolarHBondContact O-CG 3.43Å; V327-L331 PolarHBondContact O-N 3.45Å
328	L	35.2	Very low	45.9	Very low	86 Å²	86	102.6 Å²	102.6	45%	0.45	55%	0.553	S	S	.	*	H	α-helix	trans	-62.2	-44.8	174.9	-77.5	167.2	0	0	0	111.7	D324 C330 L331 T332 P340	D324-L328 WeakPolarHBondContact O-CB 3.16Å; D324-L328 VanDerWaalsContact O-CG 3.31Å; D324-L328 WeakPolarHBondContact O-CG 3.35Å; D324-L328 PolarHBondContact O-N 3.44Å; L328-C330 VanDerWaalsContact C-N 3.35Å; L328-C330 PolarHBondContact O-N 2.93Å; L328-L331 PolarHBondContact O-N 3.42Å; L328-T332 WeakPolarHBondContact O-CG2 3.26Å; L328-T332 PolarHBondContact O-N 3.36Å; L328-P340 HydrophobicContact CD1-CG 3.9Å
329	N	38.9	Very low	43.9	Very low	124 Å²	124	102.1 Å²	102.1	66%	0.663	56%	0.561	S	S	*	*	H	α-helix	trans	-65.6	-36.5	177.2	-86.8	-13.6	0	0	0	112.5	L325 L326 T332	L325-N329 WeakPolarHBondContact O-CB 3.49Å; L325-N329 PolarHBondContact O-N 3.31Å; L326-N329 PolarHBondContact O-N 2.76Å; N329-T332 PolarHBondContact O-OG1 3.08Å
330	C	38	Very low	42.6	Very low	107 Å²	107	101.9 Å²	101.9	72%	0.723	56%	0.564	S	S	*	*	H	α-helix	trans	-74.3	-26.2	177.7	-72.2	0	0	0	0	113.6	L326 V327 L328	L326-C330 WeakPolarHBondContact O-CB 3.4Å; L326-C330 PolarHBondContact O-N 3.22Å; L326-C330 PolarHBondContact O-SG 3.17Å; V327-C330 PolarHBondContact O-N 2.91Å; L328-C330 VanDerWaalsContact C-N 3.35Å; L328-C330 PolarHBondContact O-N 2.93Å
331	L	35.8	Very low	42	Very low	117 Å²	117	102.6 Å²	102.6	61%	0.613	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	18.3	-176.1	-65.9	175.5	0	0	0	114.4	V327 L328 R333	V327-L331 HydrophobicContact CG1-CD1 3.72Å; V327-L331 HydrophobicContact CG1-CG 4.5Å; V327-L331 WeakPolarHBondContact O-CB 3.41Å; V327-L331 WeakPolarHBondContact O-CG 3.43Å; V327-L331 PolarHBondContact O-N 3.45Å; L328-L331 PolarHBondContact O-N 3.42Å; L331-R333 PolarHBondContact O-N 3.18Å
332	T	36.9	Very low	41.4	Very low	113 Å²	113	104.2 Å²	104.2	69%	0.693	59%	0.588	S	S	*	*			trans	-74.3	53	163.9	57.1	0	0	0	0	112.7	L328 N329	L328-T332 WeakPolarHBondContact O-CG2 3.26Å; L328-T332 PolarHBondContact O-N 3.36Å; N329-T332 PolarHBondContact O-OG1 3.08Å
333	R	37.1	Very low	42.1	Very low	226 Å²	226	102.7 Å²	102.7	85%	0.853	58%	0.58	S	S	*	*	S	Bend	trans	-136.2	102.9	149.2	-84.9	-170.6	-178.5	-161	0.7	107.3	L331	L331-R333 PolarHBondContact O-N 3.18Å
334	S	35.8	Very low	43.3	Very low	100 Å²	100	99.1 Å²	99.1	70%	0.699	56%	0.561	S	S	*	*	S	Bend	trans	60	110.3	169.4	53.6	0	0	0	0	117.9
335	E	35	Very low	45.1	Very low	186 Å²	186	100.6 Å²	100.6	87%	0.869	57%	0.567	S	S	*	*			trans	58.2	74.7	140	-60.6	-179.9	174.1	0	0	118.5
336	I	34.9	Very low	47.3	Very low	139 Å²	139	96.8 Å²	96.8	71%	0.713	55%	0.546	S	S	*	.			trans	-139.5	115.9	133.1	-58.5	90.4	0	0	0	108.9	V338	I336-V338 VanDerWaalsContact C-N 3.26Å; I336-V338 HydrophobicContact CB-CG2 4.2Å; I336-V338 HydrophobicContact CG2-CG2 3.28Å; I336-V338 PolarHBondContact O-N 3.22Å
337	S	32.5	Very low	49.9	Very low	125 Å²	125	93 Å²	93	87%	0.874	53%	0.527	S	S	*	.			trans	-72.9	75.8	166.2	59	0	0	0	0	110.1
338	V	37.4	Very low	52.8	Low	96 Å²	96	89.3 Å²	89.3	58%	0.582	50%	0.504	S	S	*	.			trans	-94.2	108.4	164.7	-167.6	0	0	0	0	107.5	I336 P340	I336-V338 VanDerWaalsContact C-N 3.26Å; I336-V338 HydrophobicContact CB-CG2 4.2Å; I336-V338 HydrophobicContact CG2-CG2 3.28Å; I336-V338 PolarHBondContact O-N 3.22Å; V338-P340 VanDerWaalsContact O-CD 3.23Å; V338-P340 WeakPolarHBondContact O-CD 3.44Å
339	S	38.7	Very low	55.7	Low	74 Å²	74	85.2 Å²	85.2	52%	0.517	48%	0.483	S	S	.	.			trans	-61.7	113.2	168.8	51.2	0	0	0	0	109.1	S341 S342	S339-S341 PolarHBondContact O-N 3.41Å; S339-S341 VanDerWaalsContact O-N 3.12Å; S339-S342 PolarHBondContact O-OG 2.82Å
340	P	45.4	Very low	58.5	Low	58 Å²	58	79.3 Å²	79.3	38%	0.377	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-68.8	-14.8	-166.3	-18.9	30.7	0	0	0	115.1	D324 L328 V338	D324-P340 HydrophobicContact CB-CB 4.26Å; L328-P340 HydrophobicContact CD1-CG 3.9Å; V338-P340 VanDerWaalsContact O-CD 3.23Å; V338-P340 WeakPolarHBondContact O-CD 3.44Å
341	S	48.9	Very low	61.2	Low	59 Å²	59	74.4 Å²	74.4	41%	0.413	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-88.3	0.8	-173.1	59.7	0	0	0	0	115.7	S125 S339	S125-S341 VanDerWaalsContact OG-CB 3.27Å; S125-S341 WeakPolarHBondContact OG-CB 3.16Å; S125-S341 PolarHBondContact OG-OG 3.28Å; S339-S341 PolarHBondContact O-N 3.41Å; S339-S341 VanDerWaalsContact O-N 3.12Å
342	S	51.7	Low	63.6	Low	74 Å²	74	69.8 Å²	69.8	52%	0.517	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-88.8	-2.5	-169.4	61.6	0	0	0	0	116.3	S339	S339-S342 PolarHBondContact O-OG 2.82Å
343	S	70.7	Confident	65.7	Low	46 Å²	46	64.4 Å²	64.4	32%	0.322	36%	0.362	S	S	.	.	S	Bend	trans	-97	-15.7	-177.1	60	0	0	0	0	114.6	R167	R167-S343 PolarHBondContact N-O 3.18Å
344	L	79.2	Confident	67.5	Low	19 Å²	19	54 Å²	54	10%	0.099	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.9	-174	-59.7	176.8	0	0	0	112.3	V164 H165 L320 F346	V164-L344 HydrophobicContact CG1-CB 4.43Å; V164-L344 HydrophobicContact CG1-CD2 4.06Å; H165-L344 WeakPolarHBondContact O-CA 3.37Å; L320-L344 HydrophobicContact CB-CD1 4.21Å; L320-L344 HydrophobicContact CD1-CD1 3.84Å; L320-L344 HydrophobicContact CD1-CD2 3.58Å; L320-L344 HydrophobicContact CD1-CG 4.36Å; L320-L344 HydrophobicContact CD2-CD2 4.26Å; L320-L344 HydrophobicContact CG-CD1 4.5Å; L320-L344 HydrophobicContact CG-CD2 4.46Å; L344-F346 HydrophobicContact CB-CE2 4.07Å; L344-F346 HydrophobicContact CB-CZ 3.99Å; L344-F346 HydrophobicContact CD1-CZ 4.36Å
345	E	88	Confident	69.7	Low	84 Å²	84	50.1 Å²	50.1	39%	0.393	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	140.9	170.3	-68.7	-176.6	165	0	0	109.8	V164 H165 R167	V164-E345 CarbonylContact C-O 3.59Å; V164-E345 WeakPolarHBondContact CA-O 3.47Å; H165-E345 HydrophobicContact CB-CB 4.28Å; H165-E345 PolarHBondContact N-O 2.96Å; H165-E345 PolarHBondContact O-N 3Å; R167-E345 HydrophobicContact CG-CG 3.93Å; R167-E345 IonicContact CZ-OE1 2.86Å; R167-E345 IonicContact NE-OE1 3.54Å; R167-E345 PolarHBondContact NE-OE1 3.3Å; R167-E345 IonicContact NH2-OE1 3.62Å; R167-E345 PolarHBondContact NH2-OE1 2.95Å
346	F	93.5	Very high	71.9	Confident	20 Å²	20	41.4 Å²	41.4	9%	0.088	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	126.1	-177.4	-57.2	-85.8	0	0	0	108.6	L118 L124 L126 V130 L134 I162 R163 V164 W317 L344	L118-F346 HydrophobicContact CD1-CD1 4.33Å; L118-F346 HydrophobicContact CD1-CE1 3.87Å; L118-F346 HydrophobicContact CD1-CZ 4.4Å; L118-F346 HydrophobicContact CD2-CD1 4.18Å; L118-F346 HydrophobicContact CD2-CE1 4.49Å; L124-F346 HydrophobicContact CD2-CZ 4.08Å; L126-F346 HydrophobicContact CD2-CE2 4.4Å; V130-F346 HydrophobicContact CG1-CD2 3.67Å; V130-F346 HydrophobicContact CG1-CE2 4.3Å; V130-F346 HydrophobicContact CG1-CG 4.47Å; L134-F346 HydrophobicContact CD2-CB 3.87Å; I162-F346 HydrophobicContact CG2-CB 4.16Å; I162-F346 HydrophobicContact CG2-CD1 3.72Å; I162-F346 HydrophobicContact CG2-CG 4.43Å; R163-F346 WeakPolarHBondContact O-CA 3.36Å; V164-F346 HydrophobicContact CG1-CD1 4.4Å; V164-F346 HydrophobicContact CG1-CE1 4.13Å; V164-F346 HydrophobicContact CG2-CD1 3.91Å; V164-F346 HydrophobicContact CG2-CE1 3.95Å; W317-F346 HydrophobicContact CB-CE1 4.25Å; L344-F346 HydrophobicContact CB-CE2 4.07Å; L344-F346 HydrophobicContact CB-CZ 3.99Å; L344-F346 HydrophobicContact CD1-CZ 4.36Å
347	T	96.3	Very high	74.2	Confident	22 Å²	22	35.3 Å²	35.3	14%	0.135	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.4	172.1	-53.8	0	0	0	0	108.4	D137 I162 R163 H165 L349	D137-T347 VanDerWaalsContact OD2-CA 3.32Å; D137-T347 WeakPolarHBondContact OD2-CA 3.47Å; I162-T347 WeakPolarHBondContact CA-O 3.38Å; R163-T347 PolarHBondContact N-O 3.28Å; R163-T347 PolarHBondContact O-N 3.03Å; H165-T347 PolarHBondContact NE2-OG1 3.32Å; T347-L349 WeakPolarHBondContact O-CD1 3.43Å
348	A	98.2	Very high	76.6	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	143.3	175.2	0	0	0	0	0	112.2	N89 L134 D137 I138 I160 I162	N89-A348 WeakPolarHBondContact CA-O 3.36Å; N89-A348 WeakPolarHBondContact CB-O 3.25Å; N89-A348 PolarHBondContact ND2-O 3.43Å; N89-A348 VanDerWaalsContact ND2-O 3.09Å; L134-A348 HydrophobicContact CD2-CB 3.91Å; D137-A348 HydrophobicContact CB-CB 3.64Å; D137-A348 PolarHBondContact OD2-N 3.33Å; I138-A348 HydrophobicContact CD1-CB 4.45Å; I138-A348 HydrophobicContact CG1-CB 3.74Å; I160-A348 HydrophobicContact CG2-CB 3.84Å; I162-A348 HydrophobicContact CD1-CB 4.31Å
349	L	97.9	Very high	78.8	Confident	0 Å²	0	28 Å²	28	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	124.8	179	-59.3	91.9	0	0	0	110	L91 E108 I160 L161 R163 T347 A351	L91-L349 HydrophobicContact CD1-CD2 4.3Å; E108-L349 HydrophobicContact CG-CD2 4.42Å; E108-L349 WeakPolarHBondContact OE1-CD2 3.24Å; I160-L349 CarbonylContact C-O 3.54Å; I160-L349 WeakPolarHBondContact CA-O 3.36Å; L161-L349 PolarHBondContact N-O 3.08Å; L161-L349 WeakPolarHBondContact O-CD1 3.17Å; L161-L349 PolarHBondContact O-N 2.78Å; R163-L349 HydrophobicContact CB-CD1 3.8Å; T347-L349 WeakPolarHBondContact O-CD1 3.43Å; L349-A351 PolarHBondContact O-N 2.9Å
350	V	97.4	Very high	80.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	124.6	171.1	-177.3	0	0	0	0	109.1	N89 L91 I138 L145 H152 L155 I160	N89-V350 PolarHBondContact O-N 2.88Å; L91-V350 PolarHBondContact N-O 3.16Å; I138-V350 HydrophobicContact CG2-CG2 4.43Å; L145-V350 HydrophobicContact CD1-CG1 3.84Å; H152-V350 WeakPolarHBondContact CD2-CG1 3.47Å; L155-V350 HydrophobicContact CD1-CG1 3.88Å; L155-V350 HydrophobicContact CD1-CG2 4.48Å; I160-V350 HydrophobicContact CD1-CB 4.4Å; I160-V350 HydrophobicContact CD1-CG2 4Å
351	A	93.3	Very high	82.2	Confident	5 Å²	5	30 Å²	30	4%	0.041	17%	0.166	C	C	.	.			trans	-131.4	177	-176	0	0	0	0	0	112	L91 H152 N159 L161 L349	L91-A351 HydrophobicContact CB-CB 3.91Å; L91-A351 HydrophobicContact CD2-CB 3.79Å; L91-A351 HydrophobicContact CG-CB 4.37Å; H152-A351 PolarHBondContact CE1-O 2.96Å; H152-A351 PolarHBondContact NE2-O 3.31Å; N159-A351 WeakPolarHBondContact O-CA 3.41Å; N159-A351 WeakPolarHBondContact O-CB 3.44Å; N159-A351 PolarHBondContact O-N 2.96Å; L161-A351 HydrophobicContact CD1-CB 4.12Å; L161-A351 HydrophobicContact CG-CB 3.9Å; L349-A351 PolarHBondContact O-N 2.9Å
352	D	86.3	Confident	82.9	Confident	20 Å²	20	34.8 Å²	34.8	11%	0.107	19%	0.187	C	C	.	.			trans	59.7	65.1	179	-150	-7.9	0	0	0	114.9	F49 K67 H152 N159 G354	F49-D352 WeakPolarHBondContact CD2-OD2 3.36Å; K67-D352 IonicContact NZ-OD1 3.73Å; K67-D352 PolarHBondContact NZ-OD1 3.04Å; K67-D352 IonicContact NZ-OD2 2.72Å; K67-D352 PolarHBondContact NZ-OD2 3.4Å; H152-D352 PolarHBondContact CE1-O 2.94Å; H152-D352 VanDerWaalsContact CE1-O 3.31Å; N159-D352 HydrophobicContact CB-CB 4.22Å; D352-G354 PolarHBondContact O-N 3.12Å
353	L	82.2	Confident	83.4	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-80.6	13.4	176.3	-54.2	-171.5	0	0	0	113.2	L81 L82 L85 L145 L355 C356	L81-L353 HydrophobicContact CB-CD1 4.48Å; L81-L353 HydrophobicContact CD1-CB 4.46Å; L82-L353 HydrophobicContact CD2-CD1 3.37Å; L82-L353 HydrophobicContact CD2-CG 3.86Å; L82-L353 HydrophobicContact CG-CD1 4.06Å; L82-L353 HydrophobicContact CG-CG 4.44Å; L85-L353 HydrophobicContact CD1-CD1 3.4Å; L85-L353 VanDerWaalsContact CD1-CD1 3.4Å; L145-L353 HydrophobicContact CD1-CD2 3.8Å; L145-L353 HydrophobicContact CD2-CD1 3.95Å; L145-L353 HydrophobicContact CD2-CD2 4.22Å; L353-L355 PolarHBondContact O-N 3.17Å; L353-C356 HydrophobicContact CB-CB 3.95Å; L353-C356 WeakPolarHBondContact O-CB 3.39Å; L353-C356 PolarHBondContact O-N 2.89Å
354	G	75.3	Confident	82.8	Confident	8 Å²	8	38.3 Å²	38.3	8%	0.082	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-59.3	-29	-177.5	0	0	0	0	0	113.4	D352	D352-G354 PolarHBondContact O-N 3.12Å
355	L	80	Confident	82	Confident	18 Å²	18	41.3 Å²	41.3	9%	0.094	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-100.2	5.6	177.3	-63.2	178.4	0	0	0	113.7	F49 F74 R153 D154 L353 L357 V370	F49-L355 HydrophobicContact CZ-CD1 4.21Å; F74-L355 HydrophobicContact CD1-CD2 4.14Å; F74-L355 HydrophobicContact CE1-CD2 3.53Å; F74-L355 HydrophobicContact CZ-CD2 4.28Å; R153-L355 PolarHBondContact NE-O 2.94Å; R153-L355 PolarHBondContact NH2-O 3.37Å; D154-L355 HydrophobicContact CB-CB 4.28Å; D154-L355 HydrophobicContact CB-CD1 3.79Å; L353-L355 PolarHBondContact O-N 3.17Å; L355-L357 PolarHBondContact O-N 3.29Å; L355-V370 HydrophobicContact CD2-CB 4.38Å
356	C	82.9	Confident	80.8	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.02	21%	0.206	C	C	.	.			trans	-68.3	132.1	-174	-175.6	0	0	0	0	112.3	L81 L150 I151 L353	L81-C356 HydrophobicContact CD1-CB 3.61Å; L150-C356 VanDerWaalsContact CB-SG 3.6Å; I151-C356 CarbonylContact O-C 3.32Å; I151-C356 VanDerWaalsContact O-CA 3.3Å; I151-C356 WeakPolarHBondContact O-CA 3.31Å; I151-C356 PolarHBondContact O-SG 3.46Å; L353-C356 HydrophobicContact CB-CB 3.95Å; L353-C356 WeakPolarHBondContact O-CB 3.39Å; L353-C356 PolarHBondContact O-N 2.89Å
357	L	81.8	Confident	79.3	Confident	10 Å²	10	42 Å²	42	5%	0.052	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	123.4	175.6	-178.7	65.1	0	0	0	109.5	L150 I151 R153 L355 L359 D365 T366	L150-L357 WeakPolarHBondContact CA-O 3.5Å; I151-L357 HydrophobicContact CB-CB 4.34Å; I151-L357 HydrophobicContact CD1-CD2 4.28Å; I151-L357 PolarHBondContact N-O 3.18Å; I151-L357 PolarHBondContact O-N 3.48Å; R153-L357 HydrophobicContact CG-CB 4.39Å; L355-L357 PolarHBondContact O-N 3.29Å; L357-L359 HydrophobicContact CD2-CD2 3.98Å; L357-L359 HydrophobicContact CG-CD2 4.28Å; L357-D365 HydrophobicContact CD1-CB 4.13Å; L357-T366 HydrophobicContact CD2-CG2 3.87Å
358	D	84.1	Confident	77.9	Confident	20 Å²	20	43.1 Å²	43.1	11%	0.107	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	108.7	173	-174.8	-2.7	0	0	0	109.3	L81 L150 K360 Q361	L81-D358 HydrophobicContact CD2-CB 4.39Å; L150-D358 HydrophobicContact CD2-CB 3.77Å; D358-K360 PolarHBondContact O-N 3.35Å; D358-K360 VanDerWaalsContact OD1-CB 3.26Å; D358-K360 WeakPolarHBondContact OD1-CB 3.42Å; D358-K360 PolarHBondContact OD1-N 3.34Å; D358-Q361 HydrophobicContact CB-CG 4.28Å; D358-Q361 PolarHBondContact O-N 3.22Å; D358-Q361 VanDerWaalsContact O-N 3.12Å
359	L	84	Confident	76.5	Confident	49 Å²	49	46.2 Å²	46.2	26%	0.257	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-3.8	178.8	-60.5	175.3	0	0	0	112.9	S149 I151 L357 Q361 H363 F389	S149-L359 WeakPolarHBondContact O-CB 3.37Å; S149-L359 WeakPolarHBondContact O-CG 3.28Å; S149-L359 PolarHBondContact O-N 2.85Å; I151-L359 HydrophobicContact CD1-CD1 3.93Å; I151-L359 HydrophobicContact CD1-CD2 3.9Å; I151-L359 HydrophobicContact CD1-CG 4.1Å; I151-L359 HydrophobicContact CG1-CD1 4.18Å; I151-L359 HydrophobicContact CG1-CG 4.4Å; L357-L359 HydrophobicContact CD2-CD2 3.98Å; L357-L359 HydrophobicContact CG-CD2 4.28Å; L359-Q361 VanDerWaalsContact C-N 3.34Å; L359-H363 PolarHBondContact O-CE1 2.88Å; L359-F389 HydrophobicContact CD1-CE1 3.88Å; L359-F389 HydrophobicContact CD1-CE2 4.01Å; L359-F389 HydrophobicContact CD1-CZ 3.45Å; L359-F389 VanDerWaalsContact CD1-CZ 3.45Å
360	K	80.5	Confident	75.7	Confident	138 Å²	138	48 Å²	48	60%	0.6	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-14.7	171.3	-61.2	168.2	179.2	157.4	0	112.4	H148 D358	H148-K360 VanDerWaalsContact O-CE 3.31Å; H148-K360 WeakPolarHBondContact O-CE 3.4Å; H148-K360 PolarHBondContact O-NZ 2.85Å; D358-K360 PolarHBondContact O-N 3.35Å; D358-K360 VanDerWaalsContact OD1-CB 3.26Å; D358-K360 WeakPolarHBondContact OD1-CB 3.42Å; D358-K360 PolarHBondContact OD1-N 3.34Å
361	Q	75.1	Confident	75	Confident	35 Å²	35	49.4 Å²	49.4	16%	0.164	28%	0.281	C	S	.	.	S	Bend	trans	-101.1	163.5	178.4	-63.4	-175.5	-0.7	0	0	111.2	N20 R77 E80 D358 L359 H363	N20-Q361 PolarHBondContact ND2-OE1 3.47Å; N20-Q361 VanDerWaalsContact ND2-OE1 3.14Å; R77-Q361 VanDerWaalsContact NH1-CD 3.33Å; R77-Q361 VanDerWaalsContact NH2-OE1 3.1Å; E80-Q361 PolarHBondContact OE1-NE2 3.42Å; D358-Q361 HydrophobicContact CB-CG 4.28Å; D358-Q361 PolarHBondContact O-N 3.22Å; D358-Q361 VanDerWaalsContact O-N 3.12Å; L359-Q361 VanDerWaalsContact C-N 3.34Å; Q361-H363 PolarHBondContact O-N 3.24Å; Q361-H363 PolarHBondContact O-ND1 3.01Å
362	D	63	Low	74.7	Confident	160 Å²	160	51 Å²	51	86%	0.856	29%	0.288	S	S	*	.			trans	-56.3	131.7	-177.2	-100.4	-27.7	0	0	0	112.6	S364	D362-S364 VanDerWaalsContact C-N 3.34Å; D362-S364 PolarHBondContact O-N 3.48Å; D362-S364 VanDerWaalsContact O-N 3.14Å
363	H	61.3	Low	74.9	Confident	100 Å²	100	53.7 Å²	53.7	46%	0.463	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-84.7	23	-158.9	-60.8	-61.7	0	0	0	116.6	L359 Q361 D365 T366	L359-H363 PolarHBondContact O-CE1 2.88Å; Q361-H363 PolarHBondContact O-N 3.24Å; Q361-H363 PolarHBondContact O-ND1 3.01Å; H363-D365 PolarHBondContact O-N 2.94Å; H363-D365 VanDerWaalsContact O-N 3.08Å; H363-T366 HydrophobicContact CB-CG2 3.83Å; H363-T366 WeakPolarHBondContact O-CG2 3.43Å; H363-T366 PolarHBondContact O-N 3.24Å; H363-T366 PolarHBondContact O-OG1 3.13Å
364	S	58	Low	75.4	Confident	93 Å²	93	57.6 Å²	57.6	65%	0.65	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-58	-28.4	-176.5	58.7	0	0	0	0	113.2	D362	D362-S364 VanDerWaalsContact C-N 3.34Å; D362-S364 PolarHBondContact O-N 3.48Å; D362-S364 VanDerWaalsContact O-N 3.14Å
365	D	63	Low	76.3	Confident	82 Å²	82	57.3 Å²	57.3	44%	0.439	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-95.9	12.5	-171	-63.6	-0.3	0	0	0	113.2	R153 L357 H363 V367 S368	R153-D365 PolarHBondContact NH1-O 3.21Å; L357-D365 HydrophobicContact CD1-CB 4.13Å; H363-D365 PolarHBondContact O-N 2.94Å; H363-D365 VanDerWaalsContact O-N 3.08Å; D365-V367 PolarHBondContact O-N 3.13Å; D365-S368 PolarHBondContact O-OG 3.17Å; D365-S368 VanDerWaalsContact O-OG 3.07Å
366	T	62.4	Low	76.9	Confident	29 Å²	29	57 Å²	57	18%	0.178	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-69.5	-16.6	178.2	50.3	0	0	0	0	113.6	L357 H363 P386 Y387	L357-T366 HydrophobicContact CD2-CG2 3.87Å; H363-T366 HydrophobicContact CB-CG2 3.83Å; H363-T366 WeakPolarHBondContact O-CG2 3.43Å; H363-T366 PolarHBondContact O-N 3.24Å; H363-T366 PolarHBondContact O-OG1 3.13Å; T366-P386 WeakPolarHBondContact O-CA 3.43Å; T366-Y387 PolarHBondContact O-N 3.36Å
367	V	61.9	Low	77.4	Confident	89 Å²	89	56.9 Å²	56.9	54%	0.539	32%	0.32	S	S	.	.	S	Bend	trans	-113.1	-7.4	-176.4	-110.7	0	0	0	0	113.7	D365 V369	D365-V367 PolarHBondContact O-N 3.13Å; V367-V369 PolarHBondContact O-N 2.91Å
368	S	67.5	Low	77.9	Confident	46 Å²	46	56.5 Å²	56.5	32%	0.322	32%	0.318	S	S	.	.			trans	-71	120.5	177	51.1	0	0	0	0	109.9	D365 V370 Y387	D365-S368 PolarHBondContact O-OG 3.17Å; D365-S368 VanDerWaalsContact O-OG 3.07Å; S368-V370 PolarHBondContact O-N 3.1Å; S368-V370 VanDerWaalsContact O-N 3.16Å; S368-Y387 VanDerWaalsContact O-CE2 3.29Å; S368-Y387 WeakPolarHBondContact O-CE2 3.38Å
369	V	69.7	Low	78.2	Confident	65 Å²	65	56.1 Å²	56.1	39%	0.394	32%	0.315	S	S	.	.			trans	-72.1	109.4	174.5	-177.3	0	0	0	0	107.6	V367 R383	V367-V369 PolarHBondContact O-N 2.91Å; V369-R383 HydrophobicContact CG2-CG 4.07Å
370	V	79.3	Confident	78.5	Confident	38 Å²	38	53.9 Å²	53.9	23%	0.23	30%	0.304	C	S	.	.			trans	-131.2	164.7	178.1	-62.1	0	0	0	0	109.7	R153 L355 S368 Y387	R153-V370 HydrophobicContact CB-CG2 4.04Å; L355-V370 HydrophobicContact CD2-CB 4.38Å; S368-V370 PolarHBondContact O-N 3.1Å; S368-V370 VanDerWaalsContact O-N 3.16Å; V370-Y387 PolarHBondContact N-OH 3.19Å; V370-Y387 PolarHBondContact O-OH 3.32Å
371	G	82.6	Confident	78.8	Confident	29 Å²	29	49.6 Å²	49.6	30%	0.299	29%	0.288	S	S	.	.	S	Bend	trans	85.5	-177.3	178.8	0	0	0	0	0	113.5	D154 P373	D154-G371 VanDerWaalsContact OD1-CA 3.22Å; D154-G371 WeakPolarHBondContact OD1-CA 3.49Å; G371-P373 WeakPolarHBondContact O-CD 3.3Å
372	N	88.3	Confident	79.2	Confident	38 Å²	38	51.9 Å²	51.9	20%	0.203	30%	0.301	C	S	.	.			trans	-73.2	117.8	-177.1	-172.3	-33	0	0	0	111.3	D154 T156 F374 Y375 A376	D154-N372 PolarHBondContact OD1-N 3.29Å; T156-N372 HydrophobicContact CG2-CB 3.62Å; N372-F374 PolarHBondContact O-N 2.85Å; N372-F374 VanDerWaalsContact O-N 3.13Å; N372-F374 WeakPolarHBondContact OD1-CB 3.13Å; N372-F374 VanDerWaalsContact OD1-CD2 3.23Å; N372-F374 WeakPolarHBondContact OD1-CD2 3.48Å; N372-F374 PolarHBondContact OD1-N 2.83Å; N372-Y375 HydrophobicContact CB-CD2 4.05Å; N372-Y375 PolarHBondContact O-N 2.9Å; N372-A376 PolarHBondContact O-N 2.9Å
373	P	89.8	Confident	80	Confident	77 Å²	77	53 Å²	53	50%	0.5	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.7	-176	26.7	-35.6	0	0	0	113.5	G371 Y375 A376 L381	G371-P373 WeakPolarHBondContact O-CD 3.3Å; P373-Y375 PolarHBondContact O-N 2.82Å; P373-A376 PolarHBondContact O-N 2.78Å; P373-L381 HydrophobicContact CB-CD2 4.42Å
374	F	92.5	Very high	80.5	Confident	82 Å²	82	54 Å²	54	36%	0.36	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-21	177.8	-55.5	-50.4	0	0	0	112.8	N372 L398 N409 C411 R416	N372-F374 PolarHBondContact O-N 2.85Å; N372-F374 VanDerWaalsContact O-N 3.13Å; N372-F374 WeakPolarHBondContact OD1-CB 3.13Å; N372-F374 VanDerWaalsContact OD1-CD2 3.23Å; N372-F374 WeakPolarHBondContact OD1-CD2 3.48Å; N372-F374 PolarHBondContact OD1-N 2.83Å; F374-L398 WeakPolarHBondContact O-CD1 3.37Å; F374-N409 PolarHBondContact O-ND2 3.46Å; F374-C411 HydrophobicContact CD1-CB 3.99Å; F374-C411 WeakPolarHBondContact CD1-SG 3.14Å; F374-C411 HydrophobicContact CE1-CB 4.3Å; F374-R416 PolarHBondContact O-NH1 2.93Å
375	Y	94.5	Very high	80.9	Confident	3 Å²	3	50.4 Å²	50.4	1%	0.012	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-17.8	175.8	-67.6	-98.8	0	0	0	112.9	L155 T156 S157 N372 P373 S395 L398 L399 E402 N409	L155-Y375 WeakPolarHBondContact O-CD1 3.32Å; T156-Y375 HydrophobicContact CG2-CD1 4.4Å; T156-Y375 HydrophobicContact CG2-CD2 3.5Å; T156-Y375 VanDerWaalsContact CG2-CD2 3.5Å; T156-Y375 HydrophobicContact CG2-CE2 3.78Å; T156-Y375 HydrophobicContact CG2-CG 3.82Å; S157-Y375 PolarHBondContact OG-OH 3.12Å; S157-Y375 VanDerWaalsContact OG-OH 3.1Å; N372-Y375 HydrophobicContact CB-CD2 4.05Å; N372-Y375 PolarHBondContact O-N 2.9Å; P373-Y375 PolarHBondContact O-N 2.82Å; Y375-S395 PolarHBondContact O-OG 2.72Å; Y375-S395 VanDerWaalsContact O-OG 3.11Å; Y375-L398 HydrophobicContact CD1-CB 4.13Å; Y375-L398 HydrophobicContact CD1-CD1 4.34Å; Y375-L398 HydrophobicContact CE1-CB 4.47Å; Y375-L399 HydrophobicContact CE1-CD2 4.08Å; Y375-L399 HydrophobicContact CE1-CG 4.3Å; Y375-E402 VanDerWaalsContact CE1-OE2 3.27Å; Y375-E402 WeakPolarHBondContact CE1-OE2 3.42Å; Y375-E402 PolarHBondContact OH-OE1 3.37Å; Y375-E402 VanDerWaalsContact OH-OE1 3.04Å; Y375-E402 PolarHBondContact OH-OE2 3.41Å; Y375-N409 HydrophobicContact CE1-CB 4.21Å; Y375-N409 HydrophobicContact CE2-CB 4.03Å
376	A	92.5	Very high	81.4	Confident	10 Å²	10	49.6 Å²	49.6	8%	0.083	28%	0.281	C	S	.	.			trans	-58.9	139.6	-176.6	0	0	0	0	0	112.7	N372 P373 L381 R416	N372-A376 PolarHBondContact O-N 2.9Å; P373-A376 PolarHBondContact O-N 2.78Å; A376-L381 HydrophobicContact CB-CD1 4.24Å; A376-L381 HydrophobicContact CB-CD2 3.76Å; A376-L381 HydrophobicContact CB-CG 3.79Å; A376-R416 PolarHBondContact O-NH2 2.89Å
377	A	93.5	Very high	82.1	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.008	28%	0.275	C	S	.	.			trans	-70.3	150.9	177.7	0	0	0	0	0	111.5	E379 C380 L381 A391 F394	A377-E379 VanDerWaalsContact C-N 3.29Å; A377-E379 WeakPolarHBondContact CB-OE1 3.43Å; A377-E379 WeakPolarHBondContact CB-OE2 3.32Å; A377-E379 PolarHBondContact O-N 3.27Å; A377-C380 WeakPolarHBondContact O-CB 3.11Å; A377-C380 PolarHBondContact O-N 3.28Å; A377-C380 VanDerWaalsContact O-N 3.08Å; A377-L381 PolarHBondContact O-N 3.02Å; A377-A391 HydrophobicContact CB-CB 4.14Å; A377-F394 HydrophobicContact CB-CB 3.76Å; A377-F394 HydrophobicContact CB-CD1 4.11Å; A377-F394 HydrophobicContact CB-CG 3.89Å
378	P	92.8	Very high	83.4	Confident	2 Å²	2	47 Å²	47	1%	0.013	26%	0.264	C	S	.	.	H	α-helix	trans	-53.6	-42	-178.5	-25.3	32.1	0	0	0	113.9	C380 L381 N382 F394 F420 L447	P378-C380 VanDerWaalsContact C-N 3.32Å; P378-C380 PolarHBondContact O-N 2.92Å; P378-L381 PolarHBondContact O-N 3.29Å; P378-N382 VanDerWaalsContact O-CB 3.32Å; P378-N382 WeakPolarHBondContact O-CB 3.45Å; P378-N382 VanDerWaalsContact O-CG 3.31Å; P378-N382 PolarHBondContact O-N 3.45Å; P378-N382 PolarHBondContact O-ND2 2.83Å; P378-F394 HydrophobicContact CG-CD2 4.49Å; P378-F394 HydrophobicContact CG-CE2 3.9Å; P378-F394 HydrophobicContact CG-CZ 4.1Å; P378-F420 HydrophobicContact CB-CB 4.22Å; P378-F420 HydrophobicContact CG-CB 4.44Å; P378-F420 WeakPolarHBondContact CG-O 3.28Å; P378-L447 HydrophobicContact CB-CD1 3.63Å; P378-L447 HydrophobicContact CG-CD1 3.68Å
379	E	90.9	Very high	84.7	Confident	12 Å²	12	48.3 Å²	48.3	6%	0.056	26%	0.264	C	S	.	.	H	α-helix	trans	-68.3	-31.1	-179.1	69.2	-79.9	-170	0	0	112.9	A377 R383 V384 A385 H449 R452	A377-E379 VanDerWaalsContact C-N 3.29Å; A377-E379 WeakPolarHBondContact CB-OE1 3.43Å; A377-E379 WeakPolarHBondContact CB-OE2 3.32Å; A377-E379 PolarHBondContact O-N 3.27Å; E379-R383 PolarHBondContact O-N 2.84Å; E379-V384 PolarHBondContact O-N 2.76Å; E379-A385 HydrophobicContact CB-CB 4.06Å; E379-A385 HydrophobicContact CG-CB 4.16Å; E379-H449 HydrophobicContact CG-CB 4.37Å; E379-H449 WeakPolarHBondContact OE1-CB 3.31Å; E379-R452 IonicContact OE1-CZ 3.5Å; E379-R452 IonicContact OE1-NH1 2.68Å; E379-R452 PolarHBondContact OE1-NH1 2.83Å; E379-R452 IonicContact OE1-NH2 3.46Å; E379-R452 PolarHBondContact OE1-NH2 2.92Å; E379-R452 IonicContact OE2-CZ 3.55Å; E379-R452 IonicContact OE2-NH1 3.48Å; E379-R452 PolarHBondContact OE2-NH1 3.23Å; E379-R452 IonicContact OE2-NH2 2.73Å; E379-R452 PolarHBondContact OE2-NH2 2.85Å
380	C	88.6	Confident	85.9	Confident	3 Å²	3	46 Å²	46	2%	0.02	25%	0.252	C	S	.	.	H	α-helix	trans	-72.6	-43.9	174.6	-60.2	0	0	0	0	110.9	A377 P378 R383 Y387	A377-C380 WeakPolarHBondContact O-CB 3.11Å; A377-C380 PolarHBondContact O-N 3.28Å; A377-C380 VanDerWaalsContact O-N 3.08Å; P378-C380 VanDerWaalsContact C-N 3.32Å; P378-C380 PolarHBondContact O-N 2.92Å; C380-R383 PolarHBondContact O-N 2.88Å; C380-Y387 HydrophobicContact CB-CE1 4.07Å; C380-Y387 HydrophobicContact CB-CE2 4.14Å; C380-Y387 VanDerWaalsContact SG-CE1 3.57Å
381	L	87.2	Confident	86.6	Confident	48 Å²	48	44.3 Å²	44.3	25%	0.251	24%	0.242	S	C	.	.	H	α-helix	trans	-65.4	-44.3	178.1	-70.6	173.6	0	0	0	112	P373 A376 A377 P378 R383 F420	P373-L381 HydrophobicContact CB-CD2 4.42Å; A376-L381 HydrophobicContact CB-CD1 4.24Å; A376-L381 HydrophobicContact CB-CD2 3.76Å; A376-L381 HydrophobicContact CB-CG 3.79Å; A377-L381 PolarHBondContact O-N 3.02Å; P378-L381 PolarHBondContact O-N 3.29Å; L381-R383 PolarHBondContact O-N 2.78Å; L381-F420 HydrophobicContact CB-CD2 4.42Å; L381-F420 HydrophobicContact CD1-CB 4.02Å; L381-F420 HydrophobicContact CD1-CD1 4.01Å; L381-F420 HydrophobicContact CD1-CG 3.95Å
382	N	84.6	Confident	87.3	Confident	82 Å²	82	43 Å²	43	44%	0.439	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-8	177.9	-67.9	-41.1	0	0	0	113	P378 V384 F420	P378-N382 VanDerWaalsContact O-CB 3.32Å; P378-N382 WeakPolarHBondContact O-CB 3.45Å; P378-N382 VanDerWaalsContact O-CG 3.31Å; P378-N382 PolarHBondContact O-N 3.45Å; P378-N382 PolarHBondContact O-ND2 2.83Å; N382-V384 HydrophobicContact CB-CB 4.48Å; N382-V384 HydrophobicContact CB-CG2 3.54Å; N382-V384 PolarHBondContact O-N 3.21Å; N382-F420 VanDerWaalsContact OD1-CE2 3.31Å; N382-F420 WeakPolarHBondContact OD1-CE2 3.26Å
383	R	78.3	Confident	87.8	Confident	185 Å²	185	41.4 Å²	41.4	70%	0.698	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	33.1	-174.2	-54.2	-177.3	-180	-167.4	-1.4	113.3	V369 E379 C380 L381	V369-R383 HydrophobicContact CG2-CG 4.07Å; E379-R383 PolarHBondContact O-N 2.84Å; C380-R383 PolarHBondContact O-N 2.88Å; L381-R383 PolarHBondContact O-N 2.78Å
384	V	71.6	Confident	88.1	Confident	119 Å²	119	37.7 Å²	37.7	72%	0.721	20%	0.195	S	C	*	.	S	Bend	trans	-87.8	-26.7	-176.7	179.6	0	0	0	0	111.1	E379 N382	E379-V384 PolarHBondContact O-N 2.76Å; N382-V384 HydrophobicContact CB-CB 4.48Å; N382-V384 HydrophobicContact CB-CG2 3.54Å; N382-V384 PolarHBondContact O-N 3.21Å
385	A	68.3	Low	88.4	Confident	18 Å²	18	34.1 Å²	34.1	15%	0.149	18%	0.181	C	C	.	.	S	Bend	trans	-139.3	151.8	179.1	0	0	0	0	0	111.2	E379	E379-A385 HydrophobicContact CB-CB 4.06Å; E379-A385 HydrophobicContact CG-CB 4.16Å
386	P	73.3	Confident	88.5	Confident	65 Å²	65	34 Å²	34	42%	0.422	18%	0.18	S	C	.	.			trans	-64.1	157.4	170.2	27.8	-33.8	0	0	0	111.1	T366 T388	T366-P386 WeakPolarHBondContact O-CA 3.43Å; P386-T388 PolarHBondContact O-N 2.85Å
387	Y	75.5	Confident	88.8	Confident	13 Å²	13	33.6 Å²	33.6	5%	0.051	18%	0.176	C	C	.	.			trans	-57.9	123.1	170.4	-81	-96.7	0	0	0	110.1	I151 R153 T366 S368 V370 C380 A391	I151-Y387 WeakPolarHBondContact CD1-O 3.41Å; R153-Y387 HydrophobicContact CB-CD1 4.22Å; R153-Y387 HydrophobicContact CB-CE1 4.08Å; R153-Y387 HydrophobicContact CG-CD1 3.67Å; R153-Y387 HydrophobicContact CG-CE1 4.03Å; R153-Y387 HydrophobicContact CG-CG 4.15Å; T366-Y387 PolarHBondContact O-N 3.36Å; S368-Y387 VanDerWaalsContact O-CE2 3.29Å; S368-Y387 WeakPolarHBondContact O-CE2 3.38Å; V370-Y387 PolarHBondContact N-OH 3.19Å; V370-Y387 PolarHBondContact O-OH 3.32Å; C380-Y387 HydrophobicContact CB-CE1 4.07Å; C380-Y387 HydrophobicContact CB-CE2 4.14Å; C380-Y387 VanDerWaalsContact SG-CE1 3.57Å; Y387-A391 HydrophobicContact CD1-CB 3.96Å
388	T	89.8	Confident	89	Confident	50 Å²	50	33.5 Å²	33.5	31%	0.307	18%	0.176	S	C	.	.			trans	-119.9	172.8	170.6	65.4	0	0	0	0	109.2	P386 A390 A391	P386-T388 PolarHBondContact O-N 2.85Å; T388-A390 PolarHBondContact O-N 2.85Å; T388-A390 VanDerWaalsContact O-N 3.09Å; T388-A390 WeakPolarHBondContact OG1-CB 3.42Å; T388-A390 PolarHBondContact OG1-N 2.8Å; T388-A391 WeakPolarHBondContact O-CB 3.47Å; T388-A391 PolarHBondContact O-N 3.09Å
389	F	94.5	Very high	89.3	Confident	74 Å²	74	33.4 Å²	33.4	33%	0.325	18%	0.175	S	C	.	.	H	α-helix	trans	-53.4	-29.8	172.2	-59.6	-55.8	0	0	0	112.7	H146 I151 L359 A391 D392 I393	H146-F389 HydrophobicContact CB-CD1 3.95Å; H146-F389 HydrophobicContact CB-CE1 4.1Å; H146-F389 HydrophobicContact CB-CG 4.49Å; H146-F389 AromaticContact CD2-CD1 3.48Å; H146-F389 VanDerWaalsContact CD2-CD1 3.48Å; H146-F389 WeakPolarHBondContact CD2-CD1 3.47Å; H146-F389 AromaticContact CG-CD1 3.53Å; H146-F389 AromaticContact ND1-CD1 3.92Å; H146-F389 AromaticContact NE2-CD1 3.81Å; I151-F389 HydrophobicContact CD1-CD1 4.41Å; I151-F389 HydrophobicContact CG1-CD1 3.55Å; I151-F389 HydrophobicContact CG1-CE1 3.7Å; I151-F389 HydrophobicContact CG1-CG 4.42Å; L359-F389 HydrophobicContact CD1-CE1 3.88Å; L359-F389 HydrophobicContact CD1-CE2 4.01Å; L359-F389 HydrophobicContact CD1-CZ 3.45Å; L359-F389 VanDerWaalsContact CD1-CZ 3.45Å; F389-A391 PolarHBondContact O-N 2.96Å; F389-D392 PolarHBondContact O-N 3.09Å; F389-D392 VanDerWaalsContact O-N 3.15Å; F389-I393 WeakPolarHBondContact O-CG1 3.48Å; F389-I393 PolarHBondContact O-N 2.95Å
390	A	95.7	Very high	89.6	Confident	17 Å²	17	32.9 Å²	32.9	14%	0.14	17%	0.173	C	C	.	.	H	α-helix	trans	-64.2	-24.4	178.7	0	0	0	0	0	113.4	T388 I393 F394 H449 R452	T388-A390 PolarHBondContact O-N 2.85Å; T388-A390 VanDerWaalsContact O-N 3.09Å; T388-A390 WeakPolarHBondContact OG1-CB 3.42Å; T388-A390 PolarHBondContact OG1-N 2.8Å; A390-I393 PolarHBondContact O-N 2.88Å; A390-F394 PolarHBondContact O-N 3.1Å; A390-F394 VanDerWaalsContact O-N 3.12Å; A390-H449 HydrophobicContact CB-CB 4.04Å; A390-H449 WeakPolarHBondContact CB-O 3.47Å; A390-R452 PolarHBondContact O-NH1 3.46Å
391	A	94.4	Very high	90.1	Very high	2 Å²	2	32.7 Å²	32.7	2%	0.017	17%	0.172	C	C	.	.	H	α-helix	trans	-67.2	-41.5	174.1	0	0	0	0	0	111.2	A377 Y387 T388 F389 I393 F394 S395	A377-A391 HydrophobicContact CB-CB 4.14Å; Y387-A391 HydrophobicContact CD1-CB 3.96Å; T388-A391 WeakPolarHBondContact O-CB 3.47Å; T388-A391 PolarHBondContact O-N 3.09Å; F389-A391 PolarHBondContact O-N 2.96Å; A391-I393 VanDerWaalsContact C-N 3.31Å; A391-I393 PolarHBondContact O-N 3.2Å; A391-F394 WeakPolarHBondContact O-CB 3.19Å; A391-F394 PolarHBondContact O-N 3.23Å; A391-S395 PolarHBondContact O-N 3.02Å; A391-S395 PolarHBondContact O-OG 3.35Å
392	D	96.4	Very high	90.6	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-66.3	-34.2	173.5	-70.7	-20.3	0	0	0	111.7	L142 H146 I151 H152 R153 F389 F394 S395 Y396	L142-D392 HydrophobicContact CD1-CB 3.97Å; L142-D392 HydrophobicContact CD2-CB 4.08Å; H146-D392 IonicContact CD2-OD2 3.82Å; H146-D392 IonicContact CE1-OD2 2.85Å; H146-D392 IonicContact NE2-OD2 3.45Å; H146-D392 PolarHBondContact NE2-OD2 3.33Å; I151-D392 WeakPolarHBondContact CA-OD2 3.37Å; I151-D392 WeakPolarHBondContact CG2-OD2 3.23Å; H152-D392 PolarHBondContact N-OD1 3.09Å; H152-D392 PolarHBondContact N-OD2 3.01Å; R153-D392 PolarHBondContact N-OD1 3.12Å; F389-D392 PolarHBondContact O-N 3.09Å; F389-D392 VanDerWaalsContact O-N 3.15Å; D392-F394 VanDerWaalsContact C-N 3.28Å; D392-F394 PolarHBondContact O-N 3.29Å; D392-S395 WeakPolarHBondContact O-CB 3.48Å; D392-S395 PolarHBondContact O-N 3.05Å; D392-Y396 WeakPolarHBondContact O-CB 3.33Å; D392-Y396 PolarHBondContact O-N 3.41Å
393	I	98.2	Very high	91.2	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.026	14%	0.139	C	C	.	.	H	α-helix	trans	-61.8	-39.2	175.4	-58.5	-52.3	0	0	0	111.1	L142 F389 A390 A391 Y396 G397 C444 R452 I455 I458	L142-I393 HydrophobicContact CD2-CD1 4.3Å; F389-I393 WeakPolarHBondContact O-CG1 3.48Å; F389-I393 PolarHBondContact O-N 2.95Å; A390-I393 PolarHBondContact O-N 2.88Å; A391-I393 VanDerWaalsContact C-N 3.31Å; A391-I393 PolarHBondContact O-N 3.2Å; I393-Y396 WeakPolarHBondContact O-CB 3.45Å; I393-Y396 PolarHBondContact O-N 3.37Å; I393-G397 PolarHBondContact O-N 3.42Å; I393-C444 HydrophobicContact CG2-CB 3.94Å; I393-R452 HydrophobicContact CG2-CB 4.17Å; I393-I455 HydrophobicContact CD1-CB 3.99Å; I393-I455 HydrophobicContact CD1-CD1 3.89Å; I393-I455 HydrophobicContact CD1-CG1 4.46Å; I393-I458 HydrophobicContact CD1-CD1 4.04Å; I393-I458 HydrophobicContact CG2-CD1 3.92Å
394	F	97.5	Very high	92.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63.9	-47	175.1	-170.4	-81.6	0	0	0	111.6	A377 P378 A390 A391 D392 Y396 G397 L398 R416 C444 C445	A377-F394 HydrophobicContact CB-CB 3.76Å; A377-F394 HydrophobicContact CB-CD1 4.11Å; A377-F394 HydrophobicContact CB-CG 3.89Å; P378-F394 HydrophobicContact CG-CD2 4.49Å; P378-F394 HydrophobicContact CG-CE2 3.9Å; P378-F394 HydrophobicContact CG-CZ 4.1Å; A390-F394 PolarHBondContact O-N 3.1Å; A390-F394 VanDerWaalsContact O-N 3.12Å; A391-F394 WeakPolarHBondContact O-CB 3.19Å; A391-F394 PolarHBondContact O-N 3.23Å; D392-F394 VanDerWaalsContact C-N 3.28Å; D392-F394 PolarHBondContact O-N 3.29Å; F394-Y396 VanDerWaalsContact C-N 3.27Å; F394-Y396 PolarHBondContact O-N 2.94Å; F394-G397 PolarHBondContact O-N 2.84Å; F394-G397 VanDerWaalsContact O-N 3.1Å; F394-L398 HydrophobicContact CD1-CD1 4.07Å; F394-L398 HydrophobicContact CD1-CG 4.35Å; F394-L398 HydrophobicContact CE1-CD1 3.74Å; F394-L398 HydrophobicContact CE1-CD2 4.35Å; F394-L398 HydrophobicContact CE1-CG 4.05Å; F394-L398 PolarHBondContact O-N 3.01Å; F394-L398 VanDerWaalsContact O-N 3.11Å; F394-R416 VanDerWaalsContact CZ-NH2 3.34Å; F394-C444 WeakPolarHBondContact CA-O 3.01Å; F394-C445 HydrophobicContact CD2-CB 4.27Å; F394-C445 HydrophobicContact CE2-CB 3.92Å; F394-C445 WeakPolarHBondContact CE2-O 3.46Å; F394-C445 HydrophobicContact CZ-CB 4.38Å
395	S	97.2	Very high	93.3	Very high	7 Å²	7	13 Å²	13	5%	0.049	8%	0.077	C	C	.	.	H	α-helix	trans	-58.2	-39.7	174.6	-54.7	0	0	0	0	112.1	Y375 A391 D392 L398 L399	Y375-S395 PolarHBondContact O-OG 2.72Å; Y375-S395 VanDerWaalsContact O-OG 3.11Å; A391-S395 PolarHBondContact O-N 3.02Å; A391-S395 PolarHBondContact O-OG 3.35Å; D392-S395 WeakPolarHBondContact O-CB 3.48Å; D392-S395 PolarHBondContact O-N 3.05Å; S395-L398 PolarHBondContact O-N 3.39Å; S395-L399 PolarHBondContact O-N 3.2Å
396	Y	98.6	Very high	94.6	Very high	1 Å²	1	13.4 Å²	13.4	0%	0.004	8%	0.075	C	C	.	.	H	α-helix	trans	-63.5	-41.8	173.8	171.1	-97.3	0	0	0	112.2	A135 I138 A139 D392 I393 F394 L398 L399 M400 I458 I462	A135-Y396 PolarHBondContact O-OH 3.4Å; I138-Y396 HydrophobicContact CB-CD2 4.44Å; I138-Y396 HydrophobicContact CB-CE2 4.19Å; I138-Y396 HydrophobicContact CG2-CD2 3.77Å; I138-Y396 HydrophobicContact CG2-CE2 4.02Å; A139-Y396 HydrophobicContact CB-CE2 3.96Å; D392-Y396 WeakPolarHBondContact O-CB 3.33Å; D392-Y396 PolarHBondContact O-N 3.41Å; I393-Y396 WeakPolarHBondContact O-CB 3.45Å; I393-Y396 PolarHBondContact O-N 3.37Å; F394-Y396 VanDerWaalsContact C-N 3.27Å; F394-Y396 PolarHBondContact O-N 2.94Å; Y396-L398 VanDerWaalsContact C-N 3.27Å; Y396-L398 PolarHBondContact O-N 3.03Å; Y396-L399 WeakPolarHBondContact O-CB 3.48Å; Y396-L399 PolarHBondContact O-N 3.02Å; Y396-L399 VanDerWaalsContact O-N 3.1Å; Y396-M400 HydrophobicContact CD1-CG 4.35Å; Y396-M400 HydrophobicContact CD1-SD 4.08Å; Y396-M400 HydrophobicContact CE1-CG 3.82Å; Y396-M400 HydrophobicContact CE1-SD 3.29Å; Y396-M400 WeakPolarHBondContact CE1-SD 3.48Å; Y396-M400 HydrophobicContact CE2-CG 4.36Å; Y396-M400 WeakPolarHBondContact O-CG 3.26Å; Y396-M400 PolarHBondContact O-N 3.39Å; Y396-I458 HydrophobicContact CD1-CD1 4.14Å; Y396-I458 HydrophobicContact CD1-CG2 4.5Å; Y396-I458 HydrophobicContact CE1-CD1 4.14Å; Y396-I458 HydrophobicContact CE1-CG2 3.53Å; Y396-I462 WeakPolarHBondContact OH-CD1 3.4Å
397	G	98.5	Very high	95.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-58.8	-37.9	173.9	0	0	0	0	0	112.8	I393 F394 M400 C401 C445	I393-G397 PolarHBondContact O-N 3.42Å; F394-G397 PolarHBondContact O-N 2.84Å; F394-G397 VanDerWaalsContact O-N 3.1Å; G397-M400 WeakPolarHBondContact O-CB 3.31Å; G397-M400 PolarHBondContact O-N 3.38Å; G397-C401 PolarHBondContact O-N 3.49Å; G397-C401 PolarHBondContact O-SG 3.33Å; G397-C445 VanDerWaalsContact C-SG 3.54Å
398	L	97.8	Very high	96.2	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-69.2	-37.1	173.3	-63	174.2	0	0	0	112.7	F374 Y375 F394 S395 Y396 M400 C401 E402 I414 L422	F374-L398 WeakPolarHBondContact O-CD1 3.37Å; Y375-L398 HydrophobicContact CD1-CB 4.13Å; Y375-L398 HydrophobicContact CD1-CD1 4.34Å; Y375-L398 HydrophobicContact CE1-CB 4.47Å; F394-L398 HydrophobicContact CD1-CD1 4.07Å; F394-L398 HydrophobicContact CD1-CG 4.35Å; F394-L398 HydrophobicContact CE1-CD1 3.74Å; F394-L398 HydrophobicContact CE1-CD2 4.35Å; F394-L398 HydrophobicContact CE1-CG 4.05Å; F394-L398 PolarHBondContact O-N 3.01Å; F394-L398 VanDerWaalsContact O-N 3.11Å; S395-L398 PolarHBondContact O-N 3.39Å; Y396-L398 VanDerWaalsContact C-N 3.27Å; Y396-L398 PolarHBondContact O-N 3.03Å; L398-M400 VanDerWaalsContact C-N 3.27Å; L398-M400 PolarHBondContact O-N 3.03Å; L398-C401 CarbonylContact O-C 3.5Å; L398-C401 WeakPolarHBondContact O-CA 3.28Å; L398-C401 VanDerWaalsContact O-CB 3.32Å; L398-C401 WeakPolarHBondContact O-CB 3.29Å; L398-C401 PolarHBondContact O-N 2.95Å; L398-E402 PolarHBondContact O-N 2.83Å; L398-I414 HydrophobicContact CD2-CG2 3.98Å; L398-L422 HydrophobicContact CD2-CD1 4.21Å
399	L	97.8	Very high	96.1	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.9	-38.6	171	-75.7	169.8	0	0	0	111.8	L115 I138 L155 S157 I160 Y375 S395 Y396 C401 E402 L403	L115-L399 HydrophobicContact CD2-CD2 4.26Å; I138-L399 HydrophobicContact CG2-CD1 4.28Å; L155-L399 HydrophobicContact CD1-CD1 4.5Å; L155-L399 HydrophobicContact CD2-CD1 3.91Å; L155-L399 HydrophobicContact CG-CD1 3.71Å; S157-L399 VanDerWaalsContact N-CD2 3.27Å; I160-L399 HydrophobicContact CD1-CD1 4.46Å; I160-L399 HydrophobicContact CG1-CD1 4.13Å; Y375-L399 HydrophobicContact CE1-CD2 4.08Å; Y375-L399 HydrophobicContact CE1-CG 4.3Å; S395-L399 PolarHBondContact O-N 3.2Å; Y396-L399 WeakPolarHBondContact O-CB 3.48Å; Y396-L399 PolarHBondContact O-N 3.02Å; Y396-L399 VanDerWaalsContact O-N 3.1Å; L399-C401 VanDerWaalsContact C-N 3.31Å; L399-C401 PolarHBondContact O-N 3.32Å; L399-E402 WeakPolarHBondContact CD2-OE2 3.45Å; L399-E402 PolarHBondContact O-N 2.86Å; L399-L403 WeakPolarHBondContact O-CG 3.32Å; L399-L403 PolarHBondContact O-N 3.4Å
400	M	98.4	Very high	95.4	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-62.3	-39.9	171.7	-65.8	-175.8	71	0	0	111.4	Y396 G397 L398 E402 L403 I404 F437 L440 A441	Y396-M400 HydrophobicContact CD1-CG 4.35Å; Y396-M400 HydrophobicContact CD1-SD 4.08Å; Y396-M400 HydrophobicContact CE1-CG 3.82Å; Y396-M400 HydrophobicContact CE1-SD 3.29Å; Y396-M400 WeakPolarHBondContact CE1-SD 3.48Å; Y396-M400 HydrophobicContact CE2-CG 4.36Å; Y396-M400 WeakPolarHBondContact O-CG 3.26Å; Y396-M400 PolarHBondContact O-N 3.39Å; G397-M400 WeakPolarHBondContact O-CB 3.31Å; G397-M400 PolarHBondContact O-N 3.38Å; L398-M400 VanDerWaalsContact C-N 3.27Å; L398-M400 PolarHBondContact O-N 3.03Å; M400-E402 VanDerWaalsContact C-N 3.34Å; M400-E402 PolarHBondContact O-N 3.07Å; M400-L403 WeakPolarHBondContact O-CB 3.49Å; M400-L403 PolarHBondContact O-N 3.27Å; M400-L403 VanDerWaalsContact O-N 3.17Å; M400-I404 VanDerWaalsContact O-CG1 3.24Å; M400-I404 WeakPolarHBondContact O-CG1 3.31Å; M400-I404 PolarHBondContact O-N 2.82Å; M400-F437 HydrophobicContact CE-CD1 4.46Å; M400-F437 HydrophobicContact CE-CD2 3.66Å; M400-F437 HydrophobicContact CE-CE1 4.26Å; M400-F437 HydrophobicContact CE-CE2 3.42Å; M400-F437 VanDerWaalsContact CE-CE2 3.42Å; M400-F437 HydrophobicContact CE-CG 4.19Å; M400-F437 HydrophobicContact CE-CZ 3.75Å; M400-F437 WeakPolarHBondContact CE-O 3.34Å; M400-L440 HydrophobicContact CE-CB 4.04Å; M400-L440 HydrophobicContact CE-CD2 3.94Å; M400-L440 HydrophobicContact CE-CG 3.93Å; M400-L440 HydrophobicContact SD-CG 4.22Å; M400-A441 HydrophobicContact CB-CB 3.59Å; M400-A441 HydrophobicContact CE-CB 4.19Å; M400-A441 HydrophobicContact SD-CB 4.17Å
401	C	98.2	Very high	94.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.5	-39	174	-62.8	0	0	0	0	112.1	G397 L398 L399 I404 T405 I414 L427	G397-C401 PolarHBondContact O-N 3.49Å; G397-C401 PolarHBondContact O-SG 3.33Å; L398-C401 CarbonylContact O-C 3.5Å; L398-C401 WeakPolarHBondContact O-CA 3.28Å; L398-C401 VanDerWaalsContact O-CB 3.32Å; L398-C401 WeakPolarHBondContact O-CB 3.29Å; L398-C401 PolarHBondContact O-N 2.95Å; L399-C401 VanDerWaalsContact C-N 3.31Å; L399-C401 PolarHBondContact O-N 3.32Å; C401-I404 PolarHBondContact O-N 2.79Å; C401-T405 WeakPolarHBondContact O-CB 3.5Å; C401-T405 WeakPolarHBondContact O-CG2 3.36Å; C401-T405 PolarHBondContact O-N 2.66Å; C401-T405 PolarHBondContact O-OG1 3.31Å; C401-I414 HydrophobicContact CB-CD1 4.1Å; C401-I414 HydrophobicContact CB-CG2 4.01Å; C401-L427 HydrophobicContact CB-CD1 4.34Å; C401-L427 HydrophobicContact CB-CD2 4.43Å
402	E	97.8	Very high	93.7	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-64.5	-39.6	172	-66.4	-170.7	98.1	0	0	111.7	L119 S157 Y375 L398 L399 M400 I404 R406 L407 N409 I414	L119-E402 HydrophobicContact CD1-CB 3.81Å; S157-E402 WeakPolarHBondContact CB-OE2 3.5Å; S157-E402 PolarHBondContact OG-OE1 3.14Å; S157-E402 PolarHBondContact OG-OE2 3.14Å; S157-E402 VanDerWaalsContact OG-OE2 3.13Å; Y375-E402 VanDerWaalsContact CE1-OE2 3.27Å; Y375-E402 WeakPolarHBondContact CE1-OE2 3.42Å; Y375-E402 PolarHBondContact OH-OE1 3.37Å; Y375-E402 VanDerWaalsContact OH-OE1 3.04Å; Y375-E402 PolarHBondContact OH-OE2 3.41Å; L398-E402 PolarHBondContact O-N 2.83Å; L399-E402 WeakPolarHBondContact CD2-OE2 3.45Å; L399-E402 PolarHBondContact O-N 2.86Å; M400-E402 VanDerWaalsContact C-N 3.34Å; M400-E402 PolarHBondContact O-N 3.07Å; E402-I404 VanDerWaalsContact C-N 3.35Å; E402-I404 PolarHBondContact O-N 2.86Å; E402-R406 WeakPolarHBondContact O-CA 3.48Å; E402-R406 PolarHBondContact O-N 2.87Å; E402-L407 WeakPolarHBondContact CG-O 3.33Å; E402-N409 HydrophobicContact CG-CB 4.07Å; E402-N409 PolarHBondContact OE1-N 3.4Å; E402-N409 VanDerWaalsContact OE1-N 3.09Å; E402-I414 HydrophobicContact CG-CG1 4.39Å
403	L	97.7	Very high	93.2	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-63.4	-40.1	174	-71.3	167.2	0	0	0	111.7	L115 L119 R131 L134 A135 L399 M400	L115-L403 HydrophobicContact CD1-CD2 4.04Å; L115-L403 HydrophobicContact CD2-CD2 4.45Å; L119-L403 HydrophobicContact CD2-CD2 4.26Å; R131-L403 HydrophobicContact CB-CD2 4.49Å; R131-L403 VanDerWaalsContact CD-O 3.29Å; R131-L403 WeakPolarHBondContact CD-O 3.41Å; R131-L403 PolarHBondContact NH1-O 3.07Å; L134-L403 HydrophobicContact CB-CD2 4.13Å; L134-L403 HydrophobicContact CD1-CD2 4.14Å; A135-L403 HydrophobicContact CB-CD1 3.77Å; L399-L403 WeakPolarHBondContact O-CG 3.32Å; L399-L403 PolarHBondContact O-N 3.4Å; M400-L403 WeakPolarHBondContact O-CB 3.49Å; M400-L403 PolarHBondContact O-N 3.27Å; M400-L403 VanDerWaalsContact O-N 3.17Å
404	I	97.5	Very high	93	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-65.7	-55.4	179.1	-72.2	164.2	0	0	0	110.7	W128 R131 M400 C401 E402 V429 P430 F437 L438 A441	W128-I404 HydrophobicContact CH2-CB 4.38Å; W128-I404 HydrophobicContact CH2-CG1 4.3Å; W128-I404 HydrophobicContact CH2-CG2 4.29Å; W128-I404 HydrophobicContact CZ3-CG1 4.17Å; R131-I404 PolarHBondContact NH1-O 2.92Å; M400-I404 VanDerWaalsContact O-CG1 3.24Å; M400-I404 WeakPolarHBondContact O-CG1 3.31Å; M400-I404 PolarHBondContact O-N 2.82Å; C401-I404 PolarHBondContact O-N 2.79Å; E402-I404 VanDerWaalsContact C-N 3.35Å; E402-I404 PolarHBondContact O-N 2.86Å; I404-V429 HydrophobicContact CG2-CG1 4.14Å; I404-V429 HydrophobicContact CG2-CG2 4.48Å; I404-P430 HydrophobicContact CG2-CG 4.49Å; I404-P430 WeakPolarHBondContact O-CG 3.46Å; I404-F437 HydrophobicContact CD1-CD1 4.01Å; I404-F437 HydrophobicContact CD1-CE1 4.28Å; I404-F437 HydrophobicContact CG1-CD1 3.71Å; I404-F437 HydrophobicContact CG1-CE1 3.76Å; I404-L438 HydrophobicContact CD1-CB 4.39Å; I404-L438 HydrophobicContact CD1-CD1 4.02Å; I404-A441 HydrophobicContact CD1-CB 4Å
405	T	96.1	Very high	92.8	Very high	17 Å²	17	21.5 Å²	21.5	10%	0.104	12%	0.122	C	C	.	.	H	α-helix	trans	-84.7	-20.9	-172	62.8	0	0	0	0	113	C401 L407 I414 L427 P428	C401-T405 WeakPolarHBondContact O-CB 3.5Å; C401-T405 WeakPolarHBondContact O-CG2 3.36Å; C401-T405 PolarHBondContact O-N 2.66Å; C401-T405 PolarHBondContact O-OG1 3.31Å; T405-L407 PolarHBondContact O-N 2.86Å; T405-L407 PolarHBondContact OG1-N 2.83Å; T405-L407 VanDerWaalsContact OG1-N 3.12Å; T405-I414 HydrophobicContact CG2-CD1 4.05Å; T405-I414 WeakPolarHBondContact OG1-CD1 3.22Å; T405-L427 HydrophobicContact CG2-CD1 3.94Å; T405-L427 HydrophobicContact CG2-CG 4.11Å; T405-P428 HydrophobicContact CG2-CG 4.1Å
406	R	94.8	Very high	92.6	Very high	27 Å²	27	22.9 Å²	22.9	10%	0.102	13%	0.126	C	C	.	.			trans	55.7	24.9	-165.2	-58.2	-173.4	60.8	-178.9	5.4	113.2	L119 A121 K122 L124 E402	L119-R406 HydrophobicContact CD2-CG 4.26Å; L119-R406 PolarHBondContact O-NH2 3.16Å; A121-R406 PolarHBondContact O-NH2 2.9Å; K122-R406 PolarHBondContact NZ-O 2.78Å; L124-R406 VanDerWaalsContact O-CZ 3.3Å; L124-R406 PolarHBondContact O-NH1 3.44Å; L124-R406 PolarHBondContact O-NH2 3.44Å; L124-R406 VanDerWaalsContact O-NH2 3.07Å; E402-R406 WeakPolarHBondContact O-CA 3.48Å; E402-R406 PolarHBondContact O-N 2.87Å
407	L	93.3	Very high	92.4	Very high	43 Å²	43	24.6 Å²	24.6	23%	0.225	14%	0.137	C	C	.	.			trans	-100.9	148.3	178.1	-60.1	175	0	0	0	110	E402 T405 L413 I414 P428	E402-L407 WeakPolarHBondContact CG-O 3.33Å; T405-L407 PolarHBondContact O-N 2.86Å; T405-L407 PolarHBondContact OG1-N 2.83Å; T405-L407 VanDerWaalsContact OG1-N 3.12Å; L407-L413 HydrophobicContact CB-CB 3.88Å; L407-L413 HydrophobicContact CB-CD1 4.15Å; L407-L413 HydrophobicContact CD1-CB 4.04Å; L407-L413 HydrophobicContact CD1-CD2 4.44Å; L407-L413 HydrophobicContact CD2-CD1 4.45Å; L407-L413 HydrophobicContact CG-CB 4.49Å; L407-I414 HydrophobicContact CB-CD1 4.47Å; L407-P428 HydrophobicContact CD1-CB 4.5Å; L407-P428 HydrophobicContact CD1-CG 3.44Å; L407-P428 VanDerWaalsContact CD1-CG 3.44Å
408	H	89.5	Confident	92.1	Very high	78 Å²	78	31 Å²	31	36%	0.361	18%	0.178	S	C	.	.			trans	-73.8	136.7	173.3	173.4	-88.8	0	0	0	109.5	D410 L413	H408-D410 PolarHBondContact O-N 2.83Å; H408-L413 WeakPolarHBondContact O-CB 3.19Å
409	N	87.7	Confident	91.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.197	C	C	.	.			trans	-78.3	101.6	176.2	-177.1	19.9	0	0	0	112.1	F374 Y375 E402 C411 I414	F374-N409 PolarHBondContact O-ND2 3.46Å; Y375-N409 HydrophobicContact CE1-CB 4.21Å; Y375-N409 HydrophobicContact CE2-CB 4.03Å; E402-N409 HydrophobicContact CG-CB 4.07Å; E402-N409 PolarHBondContact OE1-N 3.4Å; E402-N409 VanDerWaalsContact OE1-N 3.09Å; N409-C411 PolarHBondContact OD1-N 2.92Å; N409-I414 HydrophobicContact CB-CB 4.38Å; N409-I414 HydrophobicContact CB-CG1 4.05Å
410	D	81.1	Confident	91.5	Very high	58 Å²	58	38 Å²	38	31%	0.31	22%	0.216	S	C	.	.	S	Bend	trans	-120.7	20.8	171.2	63.8	9.6	0	0	0	112.6	H408 S412 L413	H408-D410 PolarHBondContact O-N 2.83Å; D410-S412 VanDerWaalsContact CG-OG 3.22Å; D410-S412 PolarHBondContact O-N 3.44Å; D410-S412 WeakPolarHBondContact OD1-CA 3.33Å; D410-S412 WeakPolarHBondContact OD1-CB 3.5Å; D410-S412 PolarHBondContact OD1-N 3.31Å; D410-S412 PolarHBondContact OD1-OG 2.92Å; D410-S412 PolarHBondContact OD2-OG 2.63Å; D410-L413 PolarHBondContact OD1-N 2.81Å
411	C	74.4	Confident	91.3	Very high	46 Å²	46	38.2 Å²	38.2	31%	0.311	22%	0.219	S	C	.	.	S	Bend	trans	61.4	-12.6	-168.4	-78.3	0	0	0	0	117	F374 N409	F374-C411 HydrophobicContact CD1-CB 3.99Å; F374-C411 WeakPolarHBondContact CD1-SG 3.14Å; F374-C411 HydrophobicContact CE1-CB 4.3Å; N409-C411 PolarHBondContact OD1-N 2.92Å
412	S	78.6	Confident	91.2	Very high	89 Å²	89	39.2 Å²	39.2	62%	0.622	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-34.3	174.4	78.6	0	0	0	0	111.9	D410	D410-S412 VanDerWaalsContact CG-OG 3.22Å; D410-S412 PolarHBondContact O-N 3.44Å; D410-S412 WeakPolarHBondContact OD1-CA 3.33Å; D410-S412 WeakPolarHBondContact OD1-CB 3.5Å; D410-S412 PolarHBondContact OD1-N 3.31Å; D410-S412 PolarHBondContact OD1-OG 2.92Å; D410-S412 PolarHBondContact OD2-OG 2.63Å
413	L	86.8	Confident	91.1	Very high	64 Å²	64	40.6 Å²	40.6	34%	0.335	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-31.3	-178	-60.2	178.7	0	0	0	113.8	L407 H408 D410 P415	L407-L413 HydrophobicContact CB-CB 3.88Å; L407-L413 HydrophobicContact CB-CD1 4.15Å; L407-L413 HydrophobicContact CD1-CB 4.04Å; L407-L413 HydrophobicContact CD1-CD2 4.44Å; L407-L413 HydrophobicContact CD2-CD1 4.45Å; L407-L413 HydrophobicContact CG-CB 4.49Å; H408-L413 WeakPolarHBondContact O-CB 3.19Å; D410-L413 PolarHBondContact OD1-N 2.81Å; L413-P415 WeakPolarHBondContact O-CD 3.45Å
414	I	93.4	Very high	91	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	89.6	167.8	-53.3	-62	0	0	0	106.1	L398 C401 E402 T405 L407 N409 L422 L427	L398-I414 HydrophobicContact CD2-CG2 3.98Å; C401-I414 HydrophobicContact CB-CD1 4.1Å; C401-I414 HydrophobicContact CB-CG2 4.01Å; E402-I414 HydrophobicContact CG-CG1 4.39Å; T405-I414 HydrophobicContact CG2-CD1 4.05Å; T405-I414 WeakPolarHBondContact OG1-CD1 3.22Å; L407-I414 HydrophobicContact CB-CD1 4.47Å; N409-I414 HydrophobicContact CB-CB 4.38Å; N409-I414 HydrophobicContact CB-CG1 4.05Å; I414-L422 HydrophobicContact CG2-CD1 4Å; I414-L427 HydrophobicContact CD1-CD1 3.89Å; I414-L427 HydrophobicContact CG2-CD1 4.16Å
415	P	93.1	Very high	90.8	Very high	19 Å²	19	53.5 Å²	53.5	12%	0.123	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	149.6	-166.5	27.6	-33.9	0	0	0	112.4	L413 D423 N426	L413-P415 WeakPolarHBondContact O-CD 3.45Å; P415-D423 HydrophobicContact CB-CB 3.97Å; P415-D423 HydrophobicContact CG-CB 4.07Å; P415-D423 PolarHBondContact O-N 3.45Å; P415-N426 HydrophobicContact CB-CB 4.47Å; P415-N426 HydrophobicContact CG-CB 3.93Å
416	R	94.6	Very high	90.7	Very high	35 Å²	35	57.9 Å²	57.9	13%	0.132	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-116.8	145.1	178.3	-59.5	-68	-76.3	-98.4	-2.5	110.6	F374 A376 F394 F420 G421	F374-R416 PolarHBondContact O-NH1 2.93Å; A376-R416 PolarHBondContact O-NH2 2.89Å; F394-R416 VanDerWaalsContact CZ-NH2 3.34Å; R416-F420 PolarHBondContact NE-O 2.87Å; R416-F420 PolarHBondContact NH2-O 3.1Å; R416-G421 CarbonylContact C-O 3.58Å; R416-G421 WeakPolarHBondContact CA-O 3.25Å; R416-G421 WeakPolarHBondContact CB-O 3.46Å; R416-G421 VanDerWaalsContact CD-O 3.31Å; R416-G421 WeakPolarHBondContact CD-O 3.23Å; R416-G421 PolarHBondContact NE-O 3.23Å
417	T	93.9	Very high	90.8	Very high	37 Å²	37	57.1 Å²	57.1	23%	0.227	31%	0.312	C	S	.	.			trans	-72.4	164.9	172.5	70.5	0	0	0	0	110.7	S419 F420 G421 D423	T417-S419 PolarHBondContact O-N 3.13Å; T417-S419 VanDerWaalsContact O-N 3.14Å; T417-S419 PolarHBondContact OG1-N 2.84Å; T417-S419 PolarHBondContact OG1-OG 2.93Å; T417-F420 WeakPolarHBondContact O-CA 3.29Å; T417-F420 PolarHBondContact O-N 3.44Å; T417-G421 PolarHBondContact N-O 2.78Å; T417-G421 WeakPolarHBondContact OG1-CA 3.48Å; T417-G421 PolarHBondContact OG1-N 3.08Å; T417-D423 HydrophobicContact CG2-CB 4.02Å
418	P	91.2	Very high	90.9	Very high	135 Å²	135	58.2 Å²	58.2	88%	0.877	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-23.2	174	-26.4	35.8	0	0	0	114.5	F420	P418-F420 PolarHBondContact O-N 2.84Å
419	S	91.1	Very high	91.3	Very high	57 Å²	57	56.9 Å²	56.9	40%	0.399	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	13	172.3	56.6	0	0	0	0	113.3	T417 G421	T417-S419 PolarHBondContact O-N 3.13Å; T417-S419 VanDerWaalsContact O-N 3.14Å; T417-S419 PolarHBondContact OG1-N 2.84Å; T417-S419 PolarHBondContact OG1-OG 2.93Å; S419-G421 PolarHBondContact O-N 2.93Å
420	F	92.6	Very high	91.7	Very high	89 Å²	89	58.4 Å²	58.4	39%	0.39	33%	0.329	S	S	.	.	S	Bend	trans	62.1	14.9	-173.1	-51	-72.4	0	0	0	114.3	P378 L381 N382 R416 T417 P418	P378-F420 HydrophobicContact CB-CB 4.22Å; P378-F420 HydrophobicContact CG-CB 4.44Å; P378-F420 WeakPolarHBondContact CG-O 3.28Å; L381-F420 HydrophobicContact CB-CD2 4.42Å; L381-F420 HydrophobicContact CD1-CB 4.02Å; L381-F420 HydrophobicContact CD1-CD1 4.01Å; L381-F420 HydrophobicContact CD1-CG 3.95Å; N382-F420 VanDerWaalsContact OD1-CE2 3.31Å; N382-F420 WeakPolarHBondContact OD1-CE2 3.26Å; R416-F420 PolarHBondContact NE-O 2.87Å; R416-F420 PolarHBondContact NH2-O 3.1Å; T417-F420 WeakPolarHBondContact O-CA 3.29Å; T417-F420 PolarHBondContact O-N 3.44Å; P418-F420 PolarHBondContact O-N 2.84Å
421	G	93.8	Very high	92.4	Very high	6 Å²	6	62.3 Å²	62.3	6%	0.062	36%	0.358	C	S	.	.			trans	-70.4	174.4	171.4	0	0	0	0	0	112.4	R416 T417 S419	R416-G421 CarbonylContact C-O 3.58Å; R416-G421 WeakPolarHBondContact CA-O 3.25Å; R416-G421 WeakPolarHBondContact CB-O 3.46Å; R416-G421 VanDerWaalsContact CD-O 3.31Å; R416-G421 WeakPolarHBondContact CD-O 3.23Å; R416-G421 PolarHBondContact NE-O 3.23Å; T417-G421 PolarHBondContact N-O 2.78Å; T417-G421 WeakPolarHBondContact OG1-CA 3.48Å; T417-G421 PolarHBondContact OG1-N 3.08Å; S419-G421 PolarHBondContact O-N 2.93Å
422	L	96.1	Very high	93.4	Very high	20 Å²	20	64.9 Å²	64.9	11%	0.105	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-72.1	129.1	166.2	174.9	67.2	0	0	0	109.3	L398 I414 Q424 L427 V442 C445	L398-L422 HydrophobicContact CD2-CD1 4.21Å; I414-L422 HydrophobicContact CG2-CD1 4Å; L422-Q424 PolarHBondContact O-N 3.22Å; L422-L427 HydrophobicContact CD1-CD1 4.45Å; L422-V442 HydrophobicContact CD2-CG2 4.33Å; L422-C445 HydrophobicContact CB-CB 3.65Å; L422-C445 HydrophobicContact CD2-CB 3.89Å; L422-C445 HydrophobicContact CG-CB 4.42Å
423	D	95.7	Very high	94.2	Very high	31 Å²	31	61.4 Å²	61.4	17%	0.166	34%	0.344	C	S	.	.			trans	-87	85.9	171.3	-175.3	-9	0	0	0	109.6	P415 T417 E425 N426 L427	P415-D423 HydrophobicContact CB-CB 3.97Å; P415-D423 HydrophobicContact CG-CB 4.07Å; P415-D423 PolarHBondContact O-N 3.45Å; T417-D423 HydrophobicContact CG2-CB 4.02Å; D423-E425 VanDerWaalsContact C-N 3.28Å; D423-E425 PolarHBondContact O-N 3.08Å; D423-E425 PolarHBondContact OD1-N 3.11Å; D423-N426 PolarHBondContact O-N 3.09Å; D423-N426 PolarHBondContact OD1-N 2.82Å; D423-N426 PolarHBondContact OD1-ND2 2.95Å; D423-N426 PolarHBondContact OD2-ND2 3.4Å; D423-L427 PolarHBondContact O-N 3.45Å
424	Q	95.2	Very high	94.7	Very high	88 Å²	88	59.7 Å²	59.7	41%	0.411	34%	0.337	S	S	.	.	S	Bend	trans	-63.2	-33.5	-178.6	-179.3	-176.4	-5.5	0	0	112.4	L422 N426 L427 V442	L422-Q424 PolarHBondContact O-N 3.22Å; Q424-N426 VanDerWaalsContact C-N 3.3Å; Q424-N426 PolarHBondContact O-N 3.05Å; Q424-L427 PolarHBondContact O-N 3.43Å; Q424-V442 HydrophobicContact CB-CG2 4.48Å; Q424-V442 HydrophobicContact CG-CG2 3.93Å
425	E	94	Very high	94.8	Very high	184 Å²	184	65.4 Å²	65.4	86%	0.86	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-34.8	-176.2	-65.6	-175.1	177.2	0	0	111.7	D423	D423-E425 VanDerWaalsContact C-N 3.28Å; D423-E425 PolarHBondContact O-N 3.08Å; D423-E425 PolarHBondContact OD1-N 3.11Å
426	N	94.9	Very high	95	Very high	110 Å²	110	67.4 Å²	67.4	59%	0.588	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	1.9	179.8	-66.1	-65	0	0	0	114	P415 D423 Q424 P428	P415-N426 HydrophobicContact CB-CB 4.47Å; P415-N426 HydrophobicContact CG-CB 3.93Å; D423-N426 PolarHBondContact O-N 3.09Å; D423-N426 PolarHBondContact OD1-N 2.82Å; D423-N426 PolarHBondContact OD1-ND2 2.95Å; D423-N426 PolarHBondContact OD2-ND2 3.4Å; Q424-N426 VanDerWaalsContact C-N 3.3Å; Q424-N426 PolarHBondContact O-N 3.05Å; N426-P428 WeakPolarHBondContact O-CD 3.45Å
427	L	96.1	Very high	95.1	Very high	11 Å²	11	65.8 Å²	65.8	6%	0.058	37%	0.37	C	S	.	.			trans	-68.3	125.4	177.6	-172.3	70.9	0	0	0	110	C401 T405 I414 L422 D423 Q424 V429 L438	C401-L427 HydrophobicContact CB-CD1 4.34Å; C401-L427 HydrophobicContact CB-CD2 4.43Å; T405-L427 HydrophobicContact CG2-CD1 3.94Å; T405-L427 HydrophobicContact CG2-CG 4.11Å; I414-L427 HydrophobicContact CD1-CD1 3.89Å; I414-L427 HydrophobicContact CG2-CD1 4.16Å; L422-L427 HydrophobicContact CD1-CD1 4.45Å; D423-L427 PolarHBondContact O-N 3.45Å; Q424-L427 PolarHBondContact O-N 3.43Å; L427-V429 HydrophobicContact CB-CG2 4.22Å; L427-V429 HydrophobicContact CD2-CG2 3.81Å; L427-V429 HydrophobicContact CG-CG2 3.96Å; L427-V429 PolarHBondContact O-N 2.86Å; L427-L438 HydrophobicContact CD2-CD1 4.1Å
428	P	95.7	Very high	95.3	Very high	66 Å²	66	65.4 Å²	65.4	43%	0.429	37%	0.367	S	S	.	.			trans	-77.6	68.9	-176.9	31.6	-35.9	0	0	0	111.8	T405 L407 N426	T405-P428 HydrophobicContact CG2-CG 4.1Å; L407-P428 HydrophobicContact CD1-CB 4.5Å; L407-P428 HydrophobicContact CD1-CG 3.44Å; L407-P428 VanDerWaalsContact CD1-CG 3.44Å; N426-P428 WeakPolarHBondContact O-CD 3.45Å
429	V	96.9	Very high	95.7	Very high	49 Å²	49	63.3 Å²	63.3	30%	0.297	35%	0.345	S	S	.	.			trans	-71.8	127.6	-178.6	-178.6	0	0	0	0	110.2	I404 L427 C433 L438	I404-V429 HydrophobicContact CG2-CG1 4.14Å; I404-V429 HydrophobicContact CG2-CG2 4.48Å; L427-V429 HydrophobicContact CB-CG2 4.22Å; L427-V429 HydrophobicContact CD2-CG2 3.81Å; L427-V429 HydrophobicContact CG-CG2 3.96Å; L427-V429 PolarHBondContact O-N 2.86Å; V429-C433 HydrophobicContact CG1-CB 3.59Å; V429-L438 HydrophobicContact CG1-CD2 4.1Å; V429-L438 HydrophobicContact CG2-CD1 3.79Å; V429-L438 HydrophobicContact CG2-CD2 4.1Å
430	P	95.9	Very high	96	Very high	32 Å²	32	61 Å²	61	21%	0.208	33%	0.329	C	S	.	.			trans	-70.4	145.2	175.1	32.1	-36.7	0	0	0	111	W128 I404 D432 C433	W128-P430 HydrophobicContact CH2-CG 4.13Å; W128-P430 HydrophobicContact CZ2-CG 3.82Å; I404-P430 HydrophobicContact CG2-CG 4.49Å; I404-P430 WeakPolarHBondContact O-CG 3.46Å; P430-D432 WeakPolarHBondContact CB-OD1 3.47Å; P430-D432 PolarHBondContact O-N 2.89Å; P430-D432 VanDerWaalsContact O-N 3.14Å; P430-C433 HydrophobicContact CG-CB 4.21Å; P430-C433 WeakPolarHBondContact O-CB 3.13Å; P430-C433 PolarHBondContact O-N 3.03Å
431	P	95.8	Very high	96.3	Very high	141 Å²	141	56.8 Å²	56.8	92%	0.916	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-20.4	-171	26.3	-35.8	0	0	0	114.3	C433	P431-C433 VanDerWaalsContact C-N 3.32Å
432	D	95.1	Very high	96.5	Very high	100 Å²	100	57.6 Å²	57.6	54%	0.535	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	5.3	177	67.9	-43.1	0	0	0	113.1	W128 P430 P434	W128-D432 PolarHBondContact NE1-O 3.26Å; W128-D432 VanDerWaalsContact NE1-O 3.16Å; W128-D432 PolarHBondContact NE1-OD2 2.89Å; P430-D432 WeakPolarHBondContact CB-OD1 3.47Å; P430-D432 PolarHBondContact O-N 2.89Å; P430-D432 VanDerWaalsContact O-N 3.14Å; D432-P434 WeakPolarHBondContact O-CD 3.21Å
433	C	96.8	Very high	96.6	Very high	15 Å²	15	59.6 Å²	59.6	10%	0.101	33%	0.325	C	S	.	.			trans	-62.3	125.7	177.1	-174.3	0	0	0	0	111.8	W128 V429 P430 P431 T435	W128-C433 HydrophobicContact CH2-CB 3.71Å; W128-C433 VanDerWaalsContact CH2-SG 3.51Å; W128-C433 HydrophobicContact CZ2-CB 3.76Å; V429-C433 HydrophobicContact CG1-CB 3.59Å; P430-C433 HydrophobicContact CG-CB 4.21Å; P430-C433 WeakPolarHBondContact O-CB 3.13Å; P430-C433 PolarHBondContact O-N 3.03Å; P431-C433 VanDerWaalsContact C-N 3.32Å; C433-T435 PolarHBondContact O-N 2.97Å
434	P	96.8	Very high	96.8	Very high	29 Å²	29	58.1 Å²	58.1	19%	0.188	32%	0.317	C	S	.	.			trans	-57.3	122.9	170	-22.8	32.9	0	0	0	110.2	W128 D432 W436 F437 L438	W128-P434 HydrophobicContact CB-CG 4.45Å; W128-P434 HydrophobicContact CD2-CG 4.04Å; W128-P434 HydrophobicContact CE3-CG 4.15Å; W128-P434 HydrophobicContact CG-CG 4.15Å; D432-P434 WeakPolarHBondContact O-CD 3.21Å; P434-W436 VanDerWaalsContact C-N 3.3Å; P434-W436 PolarHBondContact O-N 3.36Å; P434-F437 HydrophobicContact CB-CB 4.03Å; P434-F437 WeakPolarHBondContact O-CB 3.32Å; P434-F437 PolarHBondContact O-N 2.91Å; P434-L438 PolarHBondContact O-N 3.45Å; P434-L438 VanDerWaalsContact O-N 3.15Å
435	T	96.1	Very high	96.9	Very high	119 Å²	119	54.2 Å²	54.2	73%	0.73	30%	0.299	S	S	*	.	H	α-helix	trans	-60.9	-39.6	-174.5	51.3	0	0	0	0	112.2	C433 F437 L438 Q439	C433-T435 PolarHBondContact O-N 2.97Å; T435-F437 VanDerWaalsContact C-N 3.27Å; T435-F437 PolarHBondContact O-N 3.41Å; T435-L438 PolarHBondContact O-N 3.34Å; T435-Q439 WeakPolarHBondContact O-CB 3.35Å; T435-Q439 PolarHBondContact O-N 3.22Å
436	W	96.8	Very high	97	Very high	62 Å²	62	47.5 Å²	47.5	24%	0.235	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-33.8	176.2	73.5	-97.3	0	0	0	112.6	I132 P434 Q439 L440 I462 S465	I132-W436 HydrophobicContact CD1-CH2 4.44Å; I132-W436 HydrophobicContact CD1-CZ2 3.86Å; I132-W436 HydrophobicContact CG1-CH2 4.44Å; I132-W436 HydrophobicContact CG1-CZ2 4.33Å; I132-W436 HydrophobicContact CG2-CH2 4.05Å; I132-W436 HydrophobicContact CG2-CZ2 4.39Å; P434-W436 VanDerWaalsContact C-N 3.3Å; P434-W436 PolarHBondContact O-N 3.36Å; W436-Q439 PolarHBondContact O-N 3.16Å; W436-L440 HydrophobicContact CZ3-CD2 4.27Å; W436-L440 WeakPolarHBondContact O-CB 3.42Å; W436-L440 PolarHBondContact O-N 3.46Å; W436-I462 HydrophobicContact CH2-CG1 4.44Å; W436-I462 HydrophobicContact CH2-CG2 4.48Å; W436-I462 HydrophobicContact CZ3-CG1 4.15Å; W436-S465 VanDerWaalsContact CZ2-CB 3.42Å
437	F	97.6	Very high	97	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-75	-39.8	-178.4	-170.2	-109	0	0	0	110.8	W128 I132 A135 M400 I404 P434 T435 A441	W128-F437 HydrophobicContact CE3-CD1 4.41Å; W128-F437 AromaticContact CZ3-CD1 3.95Å; W128-F437 HydrophobicContact CZ3-CD1 3.95Å; W128-F437 HydrophobicContact CZ3-CE1 4.21Å; I132-F437 HydrophobicContact CB-CE2 4.39Å; I132-F437 HydrophobicContact CG1-CD2 3.88Å; I132-F437 HydrophobicContact CG1-CE2 3.86Å; I132-F437 HydrophobicContact CG1-CG 4.3Å; I132-F437 HydrophobicContact CG1-CZ 4.26Å; A135-F437 HydrophobicContact CB-CE2 3.8Å; A135-F437 HydrophobicContact CB-CZ 3.75Å; M400-F437 HydrophobicContact CE-CD1 4.46Å; M400-F437 HydrophobicContact CE-CD2 3.66Å; M400-F437 HydrophobicContact CE-CE1 4.26Å; M400-F437 HydrophobicContact CE-CE2 3.42Å; M400-F437 VanDerWaalsContact CE-CE2 3.42Å; M400-F437 HydrophobicContact CE-CG 4.19Å; M400-F437 HydrophobicContact CE-CZ 3.75Å; M400-F437 WeakPolarHBondContact CE-O 3.34Å; I404-F437 HydrophobicContact CD1-CD1 4.01Å; I404-F437 HydrophobicContact CD1-CE1 4.28Å; I404-F437 HydrophobicContact CG1-CD1 3.71Å; I404-F437 HydrophobicContact CG1-CE1 3.76Å; P434-F437 HydrophobicContact CB-CB 4.03Å; P434-F437 WeakPolarHBondContact O-CB 3.32Å; P434-F437 PolarHBondContact O-N 2.91Å; T435-F437 VanDerWaalsContact C-N 3.27Å; T435-F437 PolarHBondContact O-N 3.41Å; F437-A441 PolarHBondContact O-N 3.47Å; F437-A441 VanDerWaalsContact O-N 3.16Å
438	L	98	Very high	96.8	Very high	30 Å²	30	49.4 Å²	49.4	16%	0.157	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-46.6	168.6	176.9	65.3	0	0	0	111.2	I404 L427 V429 P434 T435 L440 A441 V442	I404-L438 HydrophobicContact CD1-CB 4.39Å; I404-L438 HydrophobicContact CD1-CD1 4.02Å; L427-L438 HydrophobicContact CD2-CD1 4.1Å; V429-L438 HydrophobicContact CG1-CD2 4.1Å; V429-L438 HydrophobicContact CG2-CD1 3.79Å; V429-L438 HydrophobicContact CG2-CD2 4.1Å; P434-L438 PolarHBondContact O-N 3.45Å; P434-L438 VanDerWaalsContact O-N 3.15Å; T435-L438 PolarHBondContact O-N 3.34Å; L438-L440 VanDerWaalsContact C-N 3.31Å; L438-L440 PolarHBondContact O-N 3.15Å; L438-A441 WeakPolarHBondContact O-CB 3.3Å; L438-A441 PolarHBondContact O-N 3.08Å; L438-A441 VanDerWaalsContact O-N 3.14Å; L438-V442 HydrophobicContact CD1-CG2 4.37Å; L438-V442 HydrophobicContact CG-CG2 4.48Å; L438-V442 WeakPolarHBondContact O-CG2 3.15Å; L438-V442 PolarHBondContact O-N 3.43Å
439	Q	98	Very high	96.7	Very high	90 Å²	90	48.6 Å²	48.6	42%	0.421	27%	0.271	S	S	.	.	H	α-helix	trans	-60.5	-42.9	-179.8	-171.1	60.1	51.8	0	0	111.4	T435 W436 A441 V442 D443	T435-Q439 WeakPolarHBondContact O-CB 3.35Å; T435-Q439 PolarHBondContact O-N 3.22Å; W436-Q439 PolarHBondContact O-N 3.16Å; Q439-A441 VanDerWaalsContact C-N 3.32Å; Q439-A441 PolarHBondContact O-N 3.2Å; Q439-V442 WeakPolarHBondContact O-CB 3.4Å; Q439-V442 PolarHBondContact O-N 2.77Å; Q439-D443 PolarHBondContact NE2-OD1 3.32Å; Q439-D443 WeakPolarHBondContact O-CB 3.35Å; Q439-D443 PolarHBondContact O-N 2.7Å
440	L	98.4	Very high	96.5	Very high	10 Å²	10	52.7 Å²	52.7	5%	0.052	29%	0.291	C	S	.	.	H	α-helix	trans	-61.3	-39.5	176	-177.4	60.2	0	0	0	112.3	M400 W436 L438 D443 C444 I458 I462	M400-L440 HydrophobicContact CE-CB 4.04Å; M400-L440 HydrophobicContact CE-CD2 3.94Å; M400-L440 HydrophobicContact CE-CG 3.93Å; M400-L440 HydrophobicContact SD-CG 4.22Å; W436-L440 HydrophobicContact CZ3-CD2 4.27Å; W436-L440 WeakPolarHBondContact O-CB 3.42Å; W436-L440 PolarHBondContact O-N 3.46Å; L438-L440 VanDerWaalsContact C-N 3.31Å; L438-L440 PolarHBondContact O-N 3.15Å; L440-D443 PolarHBondContact O-N 2.84Å; L440-C444 PolarHBondContact O-N 3.03Å; L440-C444 PolarHBondContact O-SG 3.42Å; L440-I458 HydrophobicContact CD1-CG1 4.28Å; L440-I458 HydrophobicContact CD1-CG2 4.37Å; L440-I458 HydrophobicContact CD2-CG2 4.12Å; L440-I458 HydrophobicContact CG-CG2 4.48Å; L440-I462 HydrophobicContact CD2-CD1 4Å; L440-I462 HydrophobicContact CD2-CG1 3.57Å
441	A	98.4	Very high	96.6	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-62.5	-44	174.3	0	0	0	0	0	111.7	M400 I404 F437 L438 Q439 C444 C445	M400-A441 HydrophobicContact CB-CB 3.59Å; M400-A441 HydrophobicContact CE-CB 4.19Å; M400-A441 HydrophobicContact SD-CB 4.17Å; I404-A441 HydrophobicContact CD1-CB 4Å; F437-A441 PolarHBondContact O-N 3.47Å; F437-A441 VanDerWaalsContact O-N 3.16Å; L438-A441 WeakPolarHBondContact O-CB 3.3Å; L438-A441 PolarHBondContact O-N 3.08Å; L438-A441 VanDerWaalsContact O-N 3.14Å; Q439-A441 VanDerWaalsContact C-N 3.32Å; Q439-A441 PolarHBondContact O-N 3.2Å; A441-C444 WeakPolarHBondContact O-CB 3.3Å; A441-C444 PolarHBondContact O-N 2.87Å; A441-C445 PolarHBondContact O-N 2.92Å; A441-C445 VanDerWaalsContact O-N 3.13Å; A441-C445 PolarHBondContact O-SG 2.99Å
442	V	98.3	Very high	96.7	Very high	22 Å²	22	50.8 Å²	50.8	13%	0.133	27%	0.269	C	S	.	.	H	α-helix	trans	-63.1	-44.8	176.7	170.9	0	0	0	0	111.3	L422 Q424 L438 Q439 C444 C445 T446	L422-V442 HydrophobicContact CD2-CG2 4.33Å; Q424-V442 HydrophobicContact CB-CG2 4.48Å; Q424-V442 HydrophobicContact CG-CG2 3.93Å; L438-V442 HydrophobicContact CD1-CG2 4.37Å; L438-V442 HydrophobicContact CG-CG2 4.48Å; L438-V442 WeakPolarHBondContact O-CG2 3.15Å; L438-V442 PolarHBondContact O-N 3.43Å; Q439-V442 WeakPolarHBondContact O-CB 3.4Å; Q439-V442 PolarHBondContact O-N 2.77Å; V442-C444 VanDerWaalsContact C-N 3.3Å; V442-C444 PolarHBondContact O-N 2.86Å; V442-C445 CarbonylContact O-C 3.49Å; V442-C445 VanDerWaalsContact O-C 3.32Å; V442-C445 WeakPolarHBondContact O-CA 3.41Å; V442-C445 PolarHBondContact O-N 2.8Å; V442-T446 PolarHBondContact O-N 2.98Å
443	D	98.4	Very high	96.8	Very high	62 Å²	62	47.7 Å²	47.7	33%	0.332	26%	0.255	S	S	.	.	H	α-helix	trans	-60.8	-41	178.8	-64.9	-16.7	0	0	0	110.9	Q439 L440 C445 T446 P453	Q439-D443 PolarHBondContact NE2-OD1 3.32Å; Q439-D443 WeakPolarHBondContact O-CB 3.35Å; Q439-D443 PolarHBondContact O-N 2.7Å; L440-D443 PolarHBondContact O-N 2.84Å; D443-C445 PolarHBondContact O-N 3.17Å; D443-T446 WeakPolarHBondContact O-CB 3.36Å; D443-T446 PolarHBondContact O-N 2.9Å; D443-T446 PolarHBondContact O-OG1 2.88Å; D443-P453 HydrophobicContact CB-CG 4.39Å; D443-P453 WeakPolarHBondContact O-CD 3.49Å
444	C	98.5	Very high	96.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.3	-31.1	173	-66.6	0	0	0	0	112.6	I393 F394 L440 A441 V442 R452 I458	I393-C444 HydrophobicContact CG2-CB 3.94Å; F394-C444 WeakPolarHBondContact CA-O 3.01Å; L440-C444 PolarHBondContact O-N 3.03Å; L440-C444 PolarHBondContact O-SG 3.42Å; A441-C444 WeakPolarHBondContact O-CB 3.3Å; A441-C444 PolarHBondContact O-N 2.87Å; V442-C444 VanDerWaalsContact C-N 3.3Å; V442-C444 PolarHBondContact O-N 2.86Å; C444-R452 VanDerWaalsContact O-CD 3.27Å; C444-R452 WeakPolarHBondContact O-CD 3.49Å; C444-I458 VanDerWaalsContact SG-CD1 3.52Å
445	C	97.6	Very high	96.8	Very high	7 Å²	7	54 Å²	54	5%	0.047	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	17	178.1	-67.6	0	0	0	0	114.2	F394 G397 L422 A441 V442 D443 L447	F394-C445 HydrophobicContact CD2-CB 4.27Å; F394-C445 HydrophobicContact CE2-CB 3.92Å; F394-C445 WeakPolarHBondContact CE2-O 3.46Å; F394-C445 HydrophobicContact CZ-CB 4.38Å; G397-C445 VanDerWaalsContact C-SG 3.54Å; L422-C445 HydrophobicContact CB-CB 3.65Å; L422-C445 HydrophobicContact CD2-CB 3.89Å; L422-C445 HydrophobicContact CG-CB 4.42Å; A441-C445 PolarHBondContact O-N 2.92Å; A441-C445 VanDerWaalsContact O-N 3.13Å; A441-C445 PolarHBondContact O-SG 2.99Å; V442-C445 CarbonylContact O-C 3.49Å; V442-C445 VanDerWaalsContact O-C 3.32Å; V442-C445 WeakPolarHBondContact O-CA 3.41Å; V442-C445 PolarHBondContact O-N 2.8Å; D443-C445 PolarHBondContact O-N 3.17Å; C445-L447 PolarHBondContact O-N 3.49Å
446	T	97	Very high	96.9	Very high	43 Å²	43	52.8 Å²	52.8	26%	0.264	27%	0.269	S	S	.	.			trans	-58.1	135.8	175.6	-60.5	0	0	0	0	111.2	V442 D443 L451 R452	V442-T446 PolarHBondContact O-N 2.98Å; D443-T446 WeakPolarHBondContact O-CB 3.36Å; D443-T446 PolarHBondContact O-N 2.9Å; D443-T446 PolarHBondContact O-OG1 2.88Å; T446-L451 HydrophobicContact CG2-CB 3.97Å; T446-R452 PolarHBondContact O-NE 2.79Å; T446-R452 PolarHBondContact O-NH2 2.85Å
447	L	94.1	Very high	96.9	Very high	90 Å²	90	51.7 Å²	51.7	47%	0.471	28%	0.277	S	S	.	.	S	Bend	trans	-61.9	-46.8	-176.5	-175.5	63	0	0	0	112	P378 C445 H449 R452	P378-L447 HydrophobicContact CB-CD1 3.63Å; P378-L447 HydrophobicContact CG-CD1 3.68Å; C445-L447 PolarHBondContact O-N 3.49Å; L447-H449 PolarHBondContact O-N 3.33Å; L447-R452 PolarHBondContact O-NH2 3.27Å
448	D	93.4	Very high	97	Very high	71 Å²	71	51.7 Å²	51.7	38%	0.38	28%	0.277	S	S	.	.	S	Bend	trans	-72.1	111.3	172.2	-174	-11.2	0	0	0	109.9	L450 L451	D448-L450 PolarHBondContact O-N 2.83Å; D448-L450 WeakPolarHBondContact OD1-CB 3.23Å; D448-L450 PolarHBondContact OD1-N 2.97Å; D448-L451 HydrophobicContact CB-CB 4.33Å; D448-L451 HydrophobicContact CB-CD1 3.91Å; D448-L451 HydrophobicContact CB-CG 3.96Å; D448-L451 PolarHBondContact O-N 3.25Å; D448-L451 VanDerWaalsContact O-N 3.09Å
449	H	93.4	Very high	97	Very high	49 Å²	49	50.9 Å²	50.9	23%	0.227	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-19.6	-177.7	66.7	78.6	0	0	0	113.5	E379 A390 L447 L451	E379-H449 HydrophobicContact CG-CB 4.37Å; E379-H449 WeakPolarHBondContact OE1-CB 3.31Å; A390-H449 HydrophobicContact CB-CB 4.04Å; A390-H449 WeakPolarHBondContact CB-O 3.47Å; L447-H449 PolarHBondContact O-N 3.33Å; H449-L451 VanDerWaalsContact C-N 3.33Å
450	L	93.1	Very high	97	Very high	135 Å²	135	50.2 Å²	50.2	71%	0.707	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-19.6	176	-60.9	178.2	0	0	0	112.7	D448	D448-L450 PolarHBondContact O-N 2.83Å; D448-L450 WeakPolarHBondContact OD1-CB 3.23Å; D448-L450 PolarHBondContact OD1-N 2.97Å
451	L	96.6	Very high	96.9	Very high	123 Å²	123	51.8 Å²	51.8	64%	0.644	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-11.3	179.9	-61.7	-177.6	0	0	0	113.2	T446 D448 H449	T446-L451 HydrophobicContact CG2-CB 3.97Å; D448-L451 HydrophobicContact CB-CB 4.33Å; D448-L451 HydrophobicContact CB-CD1 3.91Å; D448-L451 HydrophobicContact CB-CG 3.96Å; D448-L451 PolarHBondContact O-N 3.25Å; D448-L451 VanDerWaalsContact O-N 3.09Å; H449-L451 VanDerWaalsContact C-N 3.33Å
452	R	97.5	Very high	96.9	Very high	9 Å²	9	51.8 Å²	51.8	3%	0.034	28%	0.284	C	S	.	.	S	Bend	trans	-63.5	142.8	176.8	-66.2	177.4	-162.7	143.3	13.5	110.5	E379 A390 I393 C444 T446 L447	E379-R452 IonicContact OE1-CZ 3.5Å; E379-R452 IonicContact OE1-NH1 2.68Å; E379-R452 PolarHBondContact OE1-NH1 2.83Å; E379-R452 IonicContact OE1-NH2 3.46Å; E379-R452 PolarHBondContact OE1-NH2 2.92Å; E379-R452 IonicContact OE2-CZ 3.55Å; E379-R452 IonicContact OE2-NH1 3.48Å; E379-R452 PolarHBondContact OE2-NH1 3.23Å; E379-R452 IonicContact OE2-NH2 2.73Å; E379-R452 PolarHBondContact OE2-NH2 2.85Å; A390-R452 PolarHBondContact O-NH1 3.46Å; I393-R452 HydrophobicContact CG2-CB 4.17Å; C444-R452 VanDerWaalsContact O-CD 3.27Å; C444-R452 WeakPolarHBondContact O-CD 3.49Å; T446-R452 PolarHBondContact O-NE 2.79Å; T446-R452 PolarHBondContact O-NH2 2.85Å; L447-R452 PolarHBondContact O-NH2 3.27Å
453	P	97.9	Very high	96.7	Very high	36 Å²	36	55 Å²	55	23%	0.234	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-64.2	145.3	178.3	27.1	-34.5	0	0	0	111.5	D443 I458	D443-P453 HydrophobicContact CB-CG 4.39Å; D443-P453 WeakPolarHBondContact O-CD 3.49Å; P453-I458 HydrophobicContact CB-CG1 3.96Å; P453-I458 HydrophobicContact CG-CD1 4.06Å; P453-I458 HydrophobicContact CG-CG1 3.83Å
454	H	96.7	Very high	96.5	Very high	162 Å²	162	58.2 Å²	58.2	75%	0.75	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-71.4	149.7	169.6	-65.1	-60.2	0	0	0	110.8	L456 G457 I458	H454-L456 VanDerWaalsContact C-N 3.25Å; H454-L456 PolarHBondContact O-N 2.93Å; H454-L456 VanDerWaalsContact O-N 3.13Å; H454-G457 WeakPolarHBondContact O-CA 3.44Å; H454-G457 PolarHBondContact O-N 3.37Å; H454-I458 PolarHBondContact O-N 3.4Å; H454-I458 VanDerWaalsContact O-N 3.15Å
455	I	98.1	Very high	96.1	Very high	13 Å²	13	59.1 Å²	59.1	7%	0.067	32%	0.315	C	S	.	.	H	α-helix	trans	-55.3	-36.7	-174.7	-164.9	59.4	0	0	0	114	A139 L142 H143 I393 G457 I458 I459	A139-I455 HydrophobicContact CB-CD1 4.01Å; A139-I455 WeakPolarHBondContact O-CG1 3.17Å; L142-I455 HydrophobicContact CB-CD1 4.31Å; L142-I455 HydrophobicContact CD2-CD1 4Å; L142-I455 HydrophobicContact CG-CD1 4.4Å; H143-I455 HydrophobicContact CB-CG1 3.81Å; H143-I455 HydrophobicContact CB-CG2 3.91Å; I393-I455 HydrophobicContact CD1-CB 3.99Å; I393-I455 HydrophobicContact CD1-CD1 3.89Å; I393-I455 HydrophobicContact CD1-CG1 4.46Å; I455-G457 PolarHBondContact O-N 2.93Å; I455-I458 HydrophobicContact CD1-CD1 4.11Å; I455-I458 WeakPolarHBondContact O-CB 3.43Å; I455-I458 PolarHBondContact O-N 2.86Å; I455-I459 HydrophobicContact CG1-CD1 4.45Å; I455-I459 WeakPolarHBondContact O-CG1 3.42Å; I455-I459 PolarHBondContact O-N 3.39Å
456	L	97.3	Very high	95.4	Very high	95 Å²	95	62.1 Å²	62.1	50%	0.497	33%	0.327	S	S	.	.	H	α-helix	trans	-64.2	-40	175.1	-77.4	172.9	0	0	0	112.2	H143 H454 I458 I459 D460	H143-L456 VanDerWaalsContact CE1-CD2 3.41Å; H143-L456 WeakPolarHBondContact CE1-CD2 3.3Å; H454-L456 VanDerWaalsContact C-N 3.25Å; H454-L456 PolarHBondContact O-N 2.93Å; H454-L456 VanDerWaalsContact O-N 3.13Å; L456-I458 VanDerWaalsContact C-N 3.29Å; L456-I458 PolarHBondContact O-N 3.19Å; L456-I459 PolarHBondContact O-N 2.88Å; L456-D460 WeakPolarHBondContact O-CB 3.48Å; L456-D460 PolarHBondContact O-N 3.25Å
457	G	97.7	Very high	94.7	Very high	38 Å²	38	65.5 Å²	65.5	39%	0.392	34%	0.343	S	S	.	.	H	α-helix	trans	-65.5	-33.2	175.9	0	0	0	0	0	112.7	H454 I455 S461	H454-G457 WeakPolarHBondContact O-CA 3.44Å; H454-G457 PolarHBondContact O-N 3.37Å; I455-G457 PolarHBondContact O-N 2.93Å; G457-S461 VanDerWaalsContact O-CB 3.29Å; G457-S461 WeakPolarHBondContact O-CB 3.43Å; G457-S461 PolarHBondContact O-N 3.34Å
458	I	98.6	Very high	93.9	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-65.1	-49.9	173.7	-61.1	173.2	0	0	0	110.2	A139 I393 Y396 L440 C444 P453 H454 I455 L456 S461 I462	A139-I458 HydrophobicContact CB-CG2 4.38Å; I393-I458 HydrophobicContact CD1-CD1 4.04Å; I393-I458 HydrophobicContact CG2-CD1 3.92Å; Y396-I458 HydrophobicContact CD1-CD1 4.14Å; Y396-I458 HydrophobicContact CD1-CG2 4.5Å; Y396-I458 HydrophobicContact CE1-CD1 4.14Å; Y396-I458 HydrophobicContact CE1-CG2 3.53Å; L440-I458 HydrophobicContact CD1-CG1 4.28Å; L440-I458 HydrophobicContact CD1-CG2 4.37Å; L440-I458 HydrophobicContact CD2-CG2 4.12Å; L440-I458 HydrophobicContact CG-CG2 4.48Å; C444-I458 VanDerWaalsContact SG-CD1 3.52Å; P453-I458 HydrophobicContact CB-CG1 3.96Å; P453-I458 HydrophobicContact CG-CD1 4.06Å; P453-I458 HydrophobicContact CG-CG1 3.83Å; H454-I458 PolarHBondContact O-N 3.4Å; H454-I458 VanDerWaalsContact O-N 3.15Å; I455-I458 HydrophobicContact CD1-CD1 4.11Å; I455-I458 WeakPolarHBondContact O-CB 3.43Å; I455-I458 PolarHBondContact O-N 2.86Å; L456-I458 VanDerWaalsContact C-N 3.29Å; L456-I458 PolarHBondContact O-N 3.19Å; I458-S461 WeakPolarHBondContact O-CB 3.16Å; I458-S461 PolarHBondContact O-N 3.04Å; I458-I462 HydrophobicContact CG2-CD1 3.99Å; I458-I462 WeakPolarHBondContact O-CG1 3.45Å; I458-I462 PolarHBondContact O-N 2.62Å
459	I	98.5	Very high	92.8	Very high	13 Å²	13	66.7 Å²	66.7	7%	0.067	35%	0.349	C	S	.	.	H	α-helix	trans	-57.7	-52.2	178.3	-68.2	167	0	0	0	110.1	L136 A139 H143 I455 L456 S461 I462 E463	L136-I459 HydrophobicContact CD1-CG2 4.03Å; A139-I459 HydrophobicContact CB-CG1 3.8Å; H143-I459 HydrophobicContact CB-CD1 3.65Å; I455-I459 HydrophobicContact CG1-CD1 4.45Å; I455-I459 WeakPolarHBondContact O-CG1 3.42Å; I455-I459 PolarHBondContact O-N 3.39Å; L456-I459 PolarHBondContact O-N 2.88Å; I459-S461 VanDerWaalsContact C-N 3.26Å; I459-S461 PolarHBondContact O-N 3.27Å; I459-I462 PolarHBondContact O-N 2.88Å; I459-I462 VanDerWaalsContact O-N 3.13Å; I459-E463 HydrophobicContact CG2-CG 4.32Å; I459-E463 WeakPolarHBondContact O-CG 3.35Å; I459-E463 PolarHBondContact O-N 3.2Å
460	D	97.5	Very high	91.4	Very high	76 Å²	76	67 Å²	67	41%	0.406	36%	0.356	S	S	.	.	H	α-helix	trans	-56.2	-40.7	178.5	-77.1	-2.6	0	0	0	112.3	L456 K464	L456-D460 WeakPolarHBondContact O-CB 3.48Å; L456-D460 PolarHBondContact O-N 3.25Å; D460-K464 WeakPolarHBondContact O-CB 3.39Å; D460-K464 WeakPolarHBondContact O-CD 3.37Å; D460-K464 WeakPolarHBondContact O-CG 3.47Å; D460-K464 PolarHBondContact O-N 2.87Å
461	S	96.7	Very high	89.2	Confident	44 Å²	44	63.2 Å²	63.2	31%	0.308	34%	0.341	S	S	.	.	H	α-helix	trans	-64.4	-43.6	179	-173.3	0	0	0	0	111.9	G457 I458 I459 S465	G457-S461 VanDerWaalsContact O-CB 3.29Å; G457-S461 WeakPolarHBondContact O-CB 3.43Å; G457-S461 PolarHBondContact O-N 3.34Å; I458-S461 WeakPolarHBondContact O-CB 3.16Å; I458-S461 PolarHBondContact O-N 3.04Å; I459-S461 VanDerWaalsContact C-N 3.26Å; I459-S461 PolarHBondContact O-N 3.27Å; S461-S465 WeakPolarHBondContact O-CB 3.46Å; S461-S465 PolarHBondContact O-N 2.76Å; S461-S465 VanDerWaalsContact O-N 3.16Å; S461-S465 PolarHBondContact O-OG 3.48Å
462	I	97.4	Very high	87	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-68.6	-43.7	178.8	-65.2	168.8	0	0	0	111	I132 A135 L136 Y396 W436 L440 I458 I459 S465 K466	I132-I462 HydrophobicContact CG2-CG2 3.72Å; A135-I462 HydrophobicContact CB-CD1 4.44Å; L136-I462 HydrophobicContact CB-CG2 3.91Å; L136-I462 HydrophobicContact CD1-CB 4.2Å; L136-I462 HydrophobicContact CD1-CG2 4.03Å; L136-I462 HydrophobicContact CD2-CG2 4.47Å; L136-I462 HydrophobicContact CG-CG2 4.36Å; Y396-I462 WeakPolarHBondContact OH-CD1 3.4Å; W436-I462 HydrophobicContact CH2-CG1 4.44Å; W436-I462 HydrophobicContact CH2-CG2 4.48Å; W436-I462 HydrophobicContact CZ3-CG1 4.15Å; L440-I462 HydrophobicContact CD2-CD1 4Å; L440-I462 HydrophobicContact CD2-CG1 3.57Å; I458-I462 HydrophobicContact CG2-CD1 3.99Å; I458-I462 WeakPolarHBondContact O-CG1 3.45Å; I458-I462 PolarHBondContact O-N 2.62Å; I459-I462 PolarHBondContact O-N 2.88Å; I459-I462 VanDerWaalsContact O-N 3.13Å; I462-S465 PolarHBondContact O-N 2.66Å; I462-K466 PolarHBondContact O-N 2.82Å
463	E	95.5	Very high	84.8	Confident	90 Å²	90	65.6 Å²	65.6	42%	0.421	36%	0.36	S	S	.	.	H	α-helix	trans	-65.1	-44.9	-179.7	-71.6	-172.5	156.5	0	0	112.5	L136 I459 S465 K466 L467	L136-E463 HydrophobicContact CD1-CG 3.99Å; L136-E463 HydrophobicContact CD2-CG 4.23Å; I459-E463 HydrophobicContact CG2-CG 4.32Å; I459-E463 WeakPolarHBondContact O-CG 3.35Å; I459-E463 PolarHBondContact O-N 3.2Å; E463-S465 VanDerWaalsContact C-N 3.31Å; E463-S465 PolarHBondContact O-N 3.04Å; E463-K466 PolarHBondContact O-N 2.79Å; E463-L467 PolarHBondContact O-N 2.98Å
464	K	93.6	Very high	82.3	Confident	129 Å²	129	70.9 Å²	70.9	56%	0.561	38%	0.379	S	S	*	.	H	α-helix	trans	-57.3	-46.4	174.4	-74.1	168.6	-171.2	165.8	0	111	D460 K466 L467 D468	D460-K464 WeakPolarHBondContact O-CB 3.39Å; D460-K464 WeakPolarHBondContact O-CD 3.37Å; D460-K464 WeakPolarHBondContact O-CG 3.47Å; D460-K464 PolarHBondContact O-N 2.87Å; K464-K466 PolarHBondContact O-N 2.97Å; K464-L467 WeakPolarHBondContact O-CB 3.45Å; K464-L467 PolarHBondContact O-N 3.31Å; K464-D468 PolarHBondContact O-N 2.99Å; K464-D468 VanDerWaalsContact O-N 3.1Å
465	S	90	Very high	79.9	Confident	19 Å²	19	68.1 Å²	68.1	13%	0.133	37%	0.373	C	S	.	.	H	α-helix	trans	-64.2	-38.4	178.7	-57.6	0	0	0	0	112.3	W436 S461 I462 E463 L467 D468 L469	W436-S465 VanDerWaalsContact CZ2-CB 3.42Å; S461-S465 WeakPolarHBondContact O-CB 3.46Å; S461-S465 PolarHBondContact O-N 2.76Å; S461-S465 VanDerWaalsContact O-N 3.16Å; S461-S465 PolarHBondContact O-OG 3.48Å; I462-S465 PolarHBondContact O-N 2.66Å; E463-S465 VanDerWaalsContact C-N 3.31Å; E463-S465 PolarHBondContact O-N 3.04Å; S465-L467 VanDerWaalsContact C-N 3.34Å; S465-L467 PolarHBondContact O-N 3.14Å; S465-D468 PolarHBondContact O-N 3.39Å; S465-L469 WeakPolarHBondContact O-CD1 3.42Å; S465-L469 PolarHBondContact O-N 3.49Å; S465-L469 VanDerWaalsContact O-N 3.1Å
466	K	83.8	Confident	77.3	Confident	70 Å²	70	75.3 Å²	75.3	30%	0.304	41%	0.406	S	S	.	.	H	α-helix	trans	-62	-39.8	174.1	-85.4	-171.1	172.4	-174.9	0	112.4	I132 S133 L136 I462 E463 K464 L469 S470	I132-K466 HydrophobicContact CG2-CG 4.1Å; S133-K466 PolarHBondContact OG-NZ 3.46Å; S133-K466 VanDerWaalsContact OG-NZ 3.08Å; L136-K466 HydrophobicContact CD2-CD 4.26Å; I462-K466 PolarHBondContact O-N 2.82Å; E463-K466 PolarHBondContact O-N 2.79Å; K464-K466 PolarHBondContact O-N 2.97Å; K466-L469 PolarHBondContact O-N 2.79Å; K466-S470 PolarHBondContact O-N 2.82Å
467	L	81.5	Confident	74.8	Confident	113 Å²	113	75 Å²	75	59%	0.592	41%	0.412	S	S	*	.	H	α-helix	trans	-64	-42.1	177	-74.8	160.9	0	0	0	111.3	E463 K464 S465 S470 C471	E463-L467 PolarHBondContact O-N 2.98Å; K464-L467 WeakPolarHBondContact O-CB 3.45Å; K464-L467 PolarHBondContact O-N 3.31Å; S465-L467 VanDerWaalsContact C-N 3.34Å; S465-L467 PolarHBondContact O-N 3.14Å; L467-S470 WeakPolarHBondContact O-CB 3.45Å; L467-S470 PolarHBondContact O-N 2.9Å; L467-S470 VanDerWaalsContact O-N 3.11Å; L467-S470 PolarHBondContact O-OG 3.38Å; L467-C471 PolarHBondContact O-N 2.76Å; L467-C471 VanDerWaalsContact O-N 3.07Å
468	D	76.4	Confident	71.9	Confident	90 Å²	90	81 Å²	81	48%	0.481	43%	0.43	S	S	.	.	H	α-helix	trans	-64.6	-40.2	178.1	-68.3	-21.5	0	0	0	112.2	K464 S465 S470 C471 H472	K464-D468 PolarHBondContact O-N 2.99Å; K464-D468 VanDerWaalsContact O-N 3.1Å; S465-D468 PolarHBondContact O-N 3.39Å; D468-S470 VanDerWaalsContact C-N 3.26Å; D468-S470 PolarHBondContact O-N 3.15Å; D468-C471 PolarHBondContact O-N 3.06Å; D468-C471 PolarHBondContact O-SG 3.15Å; D468-H472 PolarHBondContact O-CD2 2.93Å; D468-H472 PolarHBondContact O-N 3.4Å; D468-H472 VanDerWaalsContact O-N 3.16Å
469	L	71.8	Confident	68.9	Low	96 Å²	96	85.9 Å²	85.9	50%	0.503	46%	0.464	S	S	.	.	H	α-helix	trans	-60.9	-36.3	172.7	-87.7	88.8	0	0	0	112.3	S465 K466 A473	S465-L469 WeakPolarHBondContact O-CD1 3.42Å; S465-L469 PolarHBondContact O-N 3.49Å; S465-L469 VanDerWaalsContact O-N 3.1Å; K466-L469 PolarHBondContact O-N 2.79Å; L469-A473 PolarHBondContact O-N 3.1Å
470	S	64.2	Low	66.3	Low	55 Å²	55	91 Å²	91	39%	0.385	50%	0.498	S	S	.	.	H	α-helix	trans	-72.2	-33.1	179.8	83.1	0	0	0	0	113.3	K466 L467 D468 K474	K466-S470 PolarHBondContact O-N 2.82Å; L467-S470 WeakPolarHBondContact O-CB 3.45Å; L467-S470 PolarHBondContact O-N 2.9Å; L467-S470 VanDerWaalsContact O-N 3.11Å; L467-S470 PolarHBondContact O-OG 3.38Å; D468-S470 VanDerWaalsContact C-N 3.26Å; D468-S470 PolarHBondContact O-N 3.15Å; S470-K474 PolarHBondContact O-N 2.83Å
471	C	46.1	Very low	63.5	Low	56 Å²	56	93.6 Å²	93.6	38%	0.378	52%	0.517	S	S	.	.	H	α-helix	trans	-75.6	-39.4	-179.7	77.2	0	0	0	0	111	L467 D468 A473 K474 V475	L467-C471 PolarHBondContact O-N 2.76Å; L467-C471 VanDerWaalsContact O-N 3.07Å; D468-C471 PolarHBondContact O-N 3.06Å; D468-C471 PolarHBondContact O-SG 3.15Å; C471-A473 VanDerWaalsContact C-N 3.33Å; C471-A473 PolarHBondContact O-N 3.04Å; C471-K474 PolarHBondContact O-N 2.61Å; C471-V475 PolarHBondContact O-N 3.46Å
472	H	51	Low	60.8	Low	118 Å²	118	97.1 Å²	97.1	55%	0.546	54%	0.538	S	S	.	.	H	α-helix	trans	-63.1	-37.6	174.7	-75.5	-60.6	0	0	0	112.5	D468 K474 V475 H476	D468-H472 PolarHBondContact O-CD2 2.93Å; D468-H472 PolarHBondContact O-N 3.4Å; D468-H472 VanDerWaalsContact O-N 3.16Å; H472-K474 VanDerWaalsContact C-N 3.33Å; H472-K474 PolarHBondContact O-N 3.38Å; H472-V475 PolarHBondContact O-N 3.41Å; H472-H476 PolarHBondContact O-CD2 3.37Å; H472-H476 VanDerWaalsContact O-CD2 3.27Å; H472-H476 PolarHBondContact O-N 2.71Å
473	A	50.8	Low	58.1	Low	64 Å²	64	103.5 Å²	103.5	53%	0.529	58%	0.577	S	S	.	*	H	α-helix	trans	-62.7	-37.4	175.1	0	0	0	0	0	112.8	L469 C471 S477	L469-A473 PolarHBondContact O-N 3.1Å; C471-A473 VanDerWaalsContact C-N 3.33Å; C471-A473 PolarHBondContact O-N 3.04Å; A473-S477 PolarHBondContact O-N 2.97Å
474	K	45.5	Very low	55.2	Low	147 Å²	147	108.6 Å²	108.6	64%	0.639	60%	0.601	S	S	*	*	H	α-helix	trans	-70.9	-34.3	179.4	-74.8	179.1	-179.2	174.7	0	113.3	S470 C471 H472 H476 S477	S470-K474 PolarHBondContact O-N 2.83Å; C471-K474 PolarHBondContact O-N 2.61Å; H472-K474 VanDerWaalsContact C-N 3.33Å; H472-K474 PolarHBondContact O-N 3.38Å; K474-H476 VanDerWaalsContact C-N 3.34Å; K474-S477 PolarHBondContact O-N 3.29Å; K474-S477 PolarHBondContact O-OG 3.34Å
475	V	45.9	Very low	52.5	Low	104 Å²	104	107.7 Å²	107.7	63%	0.63	61%	0.611	S	S	*	*	H	α-helix	trans	-67.8	-36.6	178.6	177.5	0	0	0	0	111	C471 H472 S477	C471-V475 PolarHBondContact O-N 3.46Å; H472-V475 PolarHBondContact O-N 3.41Å; V475-S477 PolarHBondContact O-N 3.35Å
476	H	44.4	Very low	49.9	Very low	164 Å²	164	112 Å²	112	76%	0.759	64%	0.641	S	S	*	*	H	α-helix	trans	-76	-17.9	178.1	-73.2	-62.3	0	0	0	114.6	H472 K474 Q478	H472-H476 PolarHBondContact O-CD2 3.37Å; H472-H476 VanDerWaalsContact O-CD2 3.27Å; H472-H476 PolarHBondContact O-N 2.71Å; K474-H476 VanDerWaalsContact C-N 3.34Å; H476-Q478 VanDerWaalsContact C-N 3.34Å
477	S	44.9	Very low	47.3	Very low	89 Å²	89	114.9 Å²	114.9	62%	0.622	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-6.3	176.1	60.1	0	0	0	0	114.9	A473 K474 V475 S479	A473-S477 PolarHBondContact O-N 2.97Å; K474-S477 PolarHBondContact O-N 3.29Å; K474-S477 PolarHBondContact O-OG 3.34Å; V475-S477 PolarHBondContact O-N 3.35Å; S477-S479 VanDerWaalsContact C-N 3.34Å; S477-S479 PolarHBondContact O-N 3.42Å; S477-S479 VanDerWaalsContact O-N 3.15Å
478	Q	36.8	Very low	45.2	Very low	165 Å²	165	116.2 Å²	116.2	77%	0.771	68%	0.677	S	S	*	*			trans	-88	74.8	174.7	-65.4	-172.2	6.8	0	0	110.1	H476	H476-Q478 VanDerWaalsContact C-N 3.34Å
479	S	34.9	Very low	43.2	Very low	101 Å²	101	119.6 Å²	119.6	71%	0.706	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-62.7	132.6	165.7	53.6	0	0	0	0	109.7	S477 V481	S477-S479 VanDerWaalsContact C-N 3.34Å; S477-S479 PolarHBondContact O-N 3.42Å; S477-S479 VanDerWaalsContact O-N 3.15Å; S479-V481 PolarHBondContact O-N 3.33Å
480	P	43.5	Very low	41.2	Very low	122 Å²	122	118 Å²	118	79%	0.792	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-67.9	134.5	-172.4	25.7	-31	0	0	0	111.2
481	V	39.4	Very low	39.6	Very low	130 Å²	130	120.2 Å²	120.2	79%	0.788	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-53.3	133.6	-179.9	-176.1	0	0	0	0	110	S479 V483	S479-V481 PolarHBondContact O-N 3.33Å; V481-V483 PolarHBondContact O-N 3.04Å
482	P	40	Very low	39.1	Very low	117 Å²	117	125.6 Å²	125.6	76%	0.76	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-67.9	118.1	-172.8	-11.3	25.4	0	0	0	110.6	Q484	P482-Q484 PolarHBondContact O-N 2.74Å
483	V	39.4	Very low	38.3	Very low	135 Å²	135	126.6 Å²	126.6	82%	0.818	75%	0.746	S	S	*	*			trans	-69.3	112.1	169.1	-178.4	0	0	0	0	107.7	V481 S485	V481-V483 PolarHBondContact O-N 3.04Å; V483-S485 PolarHBondContact O-N 3.42Å
484	Q	36.2	Very low	37.4	Very low	196 Å²	196	131.3 Å²	131.3	92%	0.916	76%	0.761	S	S	*	*			trans	-62.2	103.1	172.3	-72.3	-180	-13.1	0	0	109	P482	P482-Q484 PolarHBondContact O-N 2.74Å
485	S	35.7	Very low	36.9	Very low	110 Å²	110	133.6 Å²	133.6	77%	0.769	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-92.6	116.8	171.2	42.4	0	0	0	0	109.1	V483	V483-S485 PolarHBondContact O-N 3.42Å
486	S	35.1	Very low	36.3	Very low	110 Å²	110	133.5 Å²	133.5	77%	0.769	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-63.2	128.8	170.5	40.8	0	0	0	0	110.1	T488	S486-T488 PolarHBondContact O-N 3.34Å
487	T	30.7	Very low	36.2	Very low	130 Å²	130	131.7 Å²	131.7	80%	0.798	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-53.5	117.8	175.2	44.5	0	0	0	0	111.9
488	T	36.8	Very low	35.7	Very low	141 Å²	141	137.3 Å²	137.3	87%	0.865	79%	0.794	S	S	*	*			trans	-126.6	112.6	151.3	47.6	0	0	0	0	108.4	S486	S486-T488 PolarHBondContact O-N 3.34Å
489	N	34.9	Very low	35.6	Very low	162 Å²	162	133.7 Å²	133.7	87%	0.866	79%	0.792	S	S	*	*			trans	-69.1	142.6	179.8	-81.2	-30.1	0	0	0	110.9
490	G	29.6	Very low	35.7	Very low	62 Å²	62	135.6 Å²	135.6	64%	0.639	80%	0.799	S	S	*	*			trans	99.8	96.5	131.2	0	0	0	0	0	116
491	S	30.1	Very low	35.3	Very low	101 Å²	101	137 Å²	137	71%	0.706	80%	0.799	S	S	*	*				56.3	113	128.5	58.7	0	0	0	0	118
492	H	35.9	Very low	35.1	Very low	169 Å²	169	138.9 Å²	138.9	78%	0.782	80%	0.799	S	S	*	*				-169.9	126.3	113.4	-97.8	-64.4	0	0	0	112.2
493	N	34.3	Very low	34.5	Very low	140 Å²	140	139 Å²	139	75%	0.749	80%	0.803	S	S	*	*			trans	40	101.7	146.7	-72.5	-9.7	0	0	0	120.7	E495	N493-E495 PolarHBondContact O-N 3.48Å
494	I	31.3	Very low	34.5	Very low	162 Å²	162	137.7 Å²	137.7	83%	0.831	80%	0.798	S	S	*	*				-10.5	113.7	129.4	-56.1	162.3	0	0	0	114
495	E	34.2	Very low	34.6	Very low	196 Å²	196	140.3 Å²	140.3	92%	0.916	82%	0.817	S	S	*	*			trans	-131.8	119.3	151.1	-126.9	178.2	-173.3	0	0	108.7	N493	N493-E495 PolarHBondContact O-N 3.48Å
496	S	33.7	Very low	34.5	Very low	102 Å²	102	141.9 Å²	141.9	71%	0.713	82%	0.819	S	S	*	*			trans	-79.5	163.2	-173	38.5	0	0	0	0	113.4
497	P	42.1	Very low	34.5	Very low	125 Å²	125	143.5 Å²	143.5	81%	0.812	82%	0.821	S	S	*	*			trans	-91.1	141.4	-150.7	34.7	-32.9	0	0	0	113.7
498	K	35.5	Very low	34.7	Very low	207 Å²	207	144.3 Å²	144.3	90%	0.9	82%	0.823	S	S	*	*			trans	-90.9	102.1	163.9	-81.9	-178.7	176.2	175	0	109.6	V500	K498-V500 PolarHBondContact O-N 3.36Å
499	A	35.2	Very low	34.6	Very low	89 Å²	89	144.5 Å²	144.5	74%	0.736	82%	0.82	S	S	*	*			trans	-68.3	118.9	163	0	0	0	0	0	109	L501	A499-L501 PolarHBondContact O-N 3.49Å
500	V	36.5	Very low	34.6	Very low	142 Å²	142	143.4 Å²	143.4	86%	0.861	82%	0.817	S	S	*	*			trans	-86.3	103	169	175.6	0	0	0	0	106.5	K498	K498-V500 PolarHBondContact O-N 3.36Å
501	L	35.2	Very low	34.9	Very low	150 Å²	150	148.8 Å²	148.8	79%	0.785	83%	0.829	S	S	*	*			trans	-83.2	121.6	173.6	-97.9	152.2	0	0	0	109.9	A499	A499-L501 PolarHBondContact O-N 3.49Å
502	E	35.2	Very low	35.2	Very low	170 Å²	170	152.2 Å²	152.2	79%	0.794	84%	0.838	S	S	*	*			trans	0.6	128.5	150	-61.1	-179.9	161	0	0	118.5
503	S	27.3	Very low	35.2	Very low	121 Å²	121	150.9 Å²	150.9	85%	0.846	84%	0.842	S	S	*	*			trans	-110.4	116.1	160.4	55.8	0	0	0	0	109.8
504	P	38.7	Very low	35.2	Very low	107 Å²	107	151.8 Å²	151.8	70%	0.695	85%	0.85	S	S	*	*			trans	-127.5	124.2	150.4	28.3	-11.5	0	0	0	111.7
505	L	38.3	Very low	35.6	Very low	251 Å²	251	150.9 Å²	150.9	100%	1.314	85%	0.852	S	S	*	*			trans	77.1	0	167.1	-63.4	168.1	0	0	0	118.6

Retrieved 505 of 505 residues in 97.8 ms (Link to these results)

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