A0A3Q0KQ13_SCHMA Loading...

Putative m-phase inducer phosphatase(Cdc25)

AlphaFold DB , UniProt , Accession A0A3Q0KQ13, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 406 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	32.9	Very low	32.1	Very low	225 Å²	225	156.8 Å²	156.8	100%	1.108	81%	0.808	S	S	*	*				0	52.8	0	-68.3	-167.7	174.6	0	0	106.9
2	D	31.1	Very low	31.8	Very low	149 Å²	149	160.2 Å²	160.2	80%	0.797	80%	0.803	S	S	*	*				95.5	88.3	69.7	-72.4	7.5	0	0	0	108.4
3	S	28.2	Very low	32.4	Very low	104 Å²	104	151.8 Å²	151.8	73%	0.727	77%	0.769	S	S	*	*			trans	-46.2	130.6	155.4	47	0	0	0	0	112.5
4	F	31.9	Very low	32.6	Very low	206 Å²	206	149.6 Å²	149.6	90%	0.904	76%	0.759	S	S	*	*			trans	-163.3	150.9	147.6	-91	-72.6	0	0	0	108
5	E	32.6	Very low	33	Very low	191 Å²	191	146.1 Å²	146.1	89%	0.893	75%	0.749	S	S	*	*			trans	103.2	54.3	175.4	-53.7	-172	177.7	0	0	118
6	E	32.3	Very low	33.2	Very low	193 Å²	193	145.3 Å²	145.3	90%	0.902	74%	0.74	S	S	*	*			trans	-139.9	85.1	149.6	-85.2	-168.5	160.4	0	0	109.1
7	E	31	Very low	33.6	Very low	188 Å²	188	138 Å²	138	88%	0.879	70%	0.704	S	S	*	*	S	Bend	trans	-161.3	5.7	165.3	-118.5	171.5	-162.3	0	0	117.1
8	S	32.9	Very low	34	Very low	96 Å²	96	137.9 Å²	137.9	67%	0.671	70%	0.698	S	S	*	*	S	Bend	trans	-102.3	-3.8	-175.8	59.2	0	0	0	0	116.5
9	F	33.1	Very low	34.4	Very low	198 Å²	198	139.4 Å²	139.4	87%	0.868	70%	0.695	S	S	*	*	S	Bend	trans	-93.7	-10.7	-171	-134	-95.4	0	0	0	115.3
10	S	34.6	Very low	34.7	Very low	82 Å²	82	133.6 Å²	133.6	57%	0.573	67%	0.668	S	S	*	*	S	Bend	trans	-89.8	-17.3	-173.3	68.1	0	0	0	0	114.7	S13	S10-S13 PolarHBondContact O-OG 3.41Å
11	T	32.1	Very low	35.3	Very low	93 Å²	93	128.8 Å²	128.8	57%	0.571	65%	0.645	S	S	*	*	S	Bend	trans	-87.8	-25.3	-176.2	32.1	0	0	0	0	114
12	W	28.8	Very low	35.9	Very low	197 Å²	197	122.6 Å²	122.6	75%	0.746	61%	0.613	S	S	*	*	H	α-helix	trans	-70.4	-31.8	179.6	-83.2	56.9	0	0	0	113.3	T15	W12-T15 PolarHBondContact O-OG1 2.79Å
13	S	39.2	Very low	36.6	Very low	51 Å²	51	119.5 Å²	119.5	36%	0.357	59%	0.594	S	S	.	*	H	α-helix	trans	-73.1	-30.4	-176.7	70.1	0	0	0	0	113.8	S10 N17	S10-S13 PolarHBondContact O-OG 3.41Å; S13-N17 WeakPolarHBondContact O-CB 3.39Å; S13-N17 PolarHBondContact O-N 2.7Å; S13-N17 VanDerWaalsContact O-N 3.17Å; S13-N17 PolarHBondContact O-ND2 3.13Å
14	L	35.2	Very low	37.4	Very low	121 Å²	121	116.3 Å²	116.3	63%	0.634	57%	0.568	S	S	*	*	H	α-helix	trans	-71.1	-32.8	-177.4	-72.4	168.9	0	0	0	112.5	K18	L14-K18 PolarHBondContact O-N 3.08Å
15	T	39.6	Very low	38	Very low	98 Å²	98	109.2 Å²	109.2	60%	0.601	54%	0.544	S	S	*	.	H	α-helix	trans	-70.3	-43.8	177.4	25.7	0	0	0	0	112.7	W12 N17 K18 Y19	W12-T15 PolarHBondContact O-OG1 2.79Å; T15-N17 VanDerWaalsContact C-N 3.32Å; T15-N17 PolarHBondContact O-N 3.45Å; T15-K18 PolarHBondContact O-N 3.18Å; T15-Y19 PolarHBondContact O-N 3.13Å
16	E	35.9	Very low	38.7	Very low	132 Å²	132	103.7 Å²	103.7	62%	0.617	52%	0.52	S	S	*	.	H	α-helix	trans	-65	-38.6	176.4	-70.3	179.5	163.2	0	0	111.5	K18 Y19 C20	E16-K18 PolarHBondContact O-N 2.93Å; E16-Y19 WeakPolarHBondContact O-CB 2.99Å; E16-Y19 PolarHBondContact O-N 2.94Å; E16-C20 PolarHBondContact O-N 3.07Å; E16-C20 VanDerWaalsContact O-N 3.08Å
17	N	39.4	Very low	39.3	Very low	22 Å²	22	96 Å²	96	12%	0.118	49%	0.488	C	S	.	.	H	α-helix	trans	-67.3	-33.9	-179.7	-73.7	-21	0	0	0	113.4	S13 T15 L21 L354	S13-N17 WeakPolarHBondContact O-CB 3.39Å; S13-N17 PolarHBondContact O-N 2.7Å; S13-N17 VanDerWaalsContact O-N 3.17Å; S13-N17 PolarHBondContact O-ND2 3.13Å; T15-N17 VanDerWaalsContact C-N 3.32Å; T15-N17 PolarHBondContact O-N 3.45Å; N17-L21 WeakPolarHBondContact O-CD1 3.4Å; N17-L354 HydrophobicContact CB-CD2 4.21Å; N17-L354 WeakPolarHBondContact OD1-CD2 3.37Å
18	K	40.9	Very low	40	Very low	136 Å²	136	90.7 Å²	90.7	59%	0.591	47%	0.468	S	S	*	.	H	α-helix	trans	-70	-39.3	173.5	-169.3	-178.1	175.3	-165.2	0	111.3	L14 T15 E16 L21 E22	L14-K18 PolarHBondContact O-N 3.08Å; T15-K18 PolarHBondContact O-N 3.18Å; E16-K18 PolarHBondContact O-N 2.93Å; K18-L21 PolarHBondContact O-N 3.34Å; K18-E22 WeakPolarHBondContact CE-OE1 3.42Å; K18-E22 IonicContact NZ-OE1 2.69Å; K18-E22 PolarHBondContact O-N 3.29Å; K18-E22 VanDerWaalsContact O-N 3.15Å
19	Y	42.1	Very low	40.7	Very low	166 Å²	166	92 Å²	92	65%	0.651	46%	0.464	S	S	*	.	H	α-helix	trans	-61.5	-46.2	179.5	-126.3	-91	0	0	0	112	T15 E16 L21 E22 E23	T15-Y19 PolarHBondContact O-N 3.13Å; E16-Y19 WeakPolarHBondContact O-CB 2.99Å; E16-Y19 PolarHBondContact O-N 2.94Å; Y19-L21 VanDerWaalsContact C-N 3.27Å; Y19-L21 PolarHBondContact O-N 3.2Å; Y19-E22 PolarHBondContact O-N 2.89Å; Y19-E23 WeakPolarHBondContact O-CB 3.5Å; Y19-E23 PolarHBondContact O-N 2.88Å
20	C	40.2	Very low	41.4	Very low	24 Å²	24	86.6 Å²	86.6	16%	0.162	44%	0.444	C	S	.	.	H	α-helix	trans	-62.3	-34	-177.3	-158.7	0	0	0	0	112.6	E16 E23 M24	E16-C20 PolarHBondContact O-N 3.07Å; E16-C20 VanDerWaalsContact O-N 3.08Å; C20-E23 WeakPolarHBondContact O-CB 3.37Å; C20-M24 VanDerWaalsContact O-CG 3.28Å; C20-M24 WeakPolarHBondContact O-CG 3.25Å; C20-M24 PolarHBondContact O-N 2.97Å; C20-M24 VanDerWaalsContact O-N 3.12Å
21	L	47.5	Very low	41.9	Very low	32 Å²	32	84.1 Å²	84.1	17%	0.168	42%	0.424	C	S	.	.	H	α-helix	trans	-83.4	-37.3	-178.6	-69.3	163	0	0	0	113.7	N17 K18 Y19 M24 S25 I357	N17-L21 WeakPolarHBondContact O-CD1 3.4Å; K18-L21 PolarHBondContact O-N 3.34Å; Y19-L21 VanDerWaalsContact C-N 3.27Å; Y19-L21 PolarHBondContact O-N 3.2Å; L21-M24 HydrophobicContact CD2-SD 4Å; L21-M24 PolarHBondContact O-N 3.45Å; L21-S25 PolarHBondContact O-N 3.29Å; L21-I357 HydrophobicContact CD1-CB 3.95Å; L21-I357 HydrophobicContact CD1-CD1 4.05Å; L21-I357 HydrophobicContact CD1-CG2 3.12Å; L21-I357 HydrophobicContact CD2-CG2 4.41Å; L21-I357 HydrophobicContact CG-CG2 4.38Å
22	E	44.9	Very low	42.8	Very low	96 Å²	96	84.6 Å²	84.6	45%	0.449	42%	0.42	S	S	.	.	H	α-helix	trans	-61.7	-39	168.6	-77.4	179.7	-177.8	0	0	109.8	K18 Y19 M24 N26	K18-E22 WeakPolarHBondContact CE-OE1 3.42Å; K18-E22 IonicContact NZ-OE1 2.69Å; K18-E22 PolarHBondContact O-N 3.29Å; K18-E22 VanDerWaalsContact O-N 3.15Å; Y19-E22 PolarHBondContact O-N 2.89Å; E22-M24 PolarHBondContact O-N 3.42Å; E22-N26 WeakPolarHBondContact O-CB 3.31Å; E22-N26 PolarHBondContact O-N 2.87Å; E22-N26 PolarHBondContact O-ND2 3.35Å
23	E	46.9	Very low	43.9	Very low	84 Å²	84	82.9 Å²	82.9	39%	0.393	41%	0.413	S	S	.	.	H	α-helix	trans	-58.7	-42.4	171.3	-98.1	-176.6	150.4	0	0	112.9	Y19 C20 S25 S27	Y19-E23 WeakPolarHBondContact O-CB 3.5Å; Y19-E23 PolarHBondContact O-N 2.88Å; C20-E23 WeakPolarHBondContact O-CB 3.37Å; E23-S25 PolarHBondContact O-N 3.34Å; E23-S27 WeakPolarHBondContact O-CA 3.18Å; E23-S27 WeakPolarHBondContact O-CB 3.39Å; E23-S27 PolarHBondContact O-N 2.99Å
24	M	44	Very low	44.4	Very low	37 Å²	37	83.4 Å²	83.4	18%	0.182	41%	0.414	C	S	.	.	H	α-helix	trans	-62.3	-45.2	-177	-75.6	174.1	70.6	0	0	113.4	C20 L21 E22 Y224	C20-M24 VanDerWaalsContact O-CG 3.28Å; C20-M24 WeakPolarHBondContact O-CG 3.25Å; C20-M24 PolarHBondContact O-N 2.97Å; C20-M24 VanDerWaalsContact O-N 3.12Å; L21-M24 HydrophobicContact CD2-SD 4Å; L21-M24 PolarHBondContact O-N 3.45Å; E22-M24 PolarHBondContact O-N 3.42Å; M24-Y224 HydrophobicContact CE-CE2 4.35Å; M24-Y224 WeakPolarHBondContact CE-OH 3.16Å; M24-Y224 HydrophobicContact CG-CE1 3.88Å; M24-Y224 WeakPolarHBondContact CG-OH 3.49Å; M24-Y224 HydrophobicContact SD-CE1 4.45Å; M24-Y224 HydrophobicContact SD-CE2 4.34Å
25	S	44.8	Very low	45.2	Very low	57 Å²	57	80.2 Å²	80.2	40%	0.399	40%	0.395	S	S	.	.	H	α-helix	trans	-78.5	-43.3	180	-162.3	0	0	0	0	111.5	L21 E23 S27 V28 E29	L21-S25 PolarHBondContact O-N 3.29Å; E23-S25 PolarHBondContact O-N 3.34Å; S25-S27 VanDerWaalsContact C-N 3.28Å; S25-S27 PolarHBondContact O-N 2.95Å; S25-V28 PolarHBondContact O-N 2.8Å; S25-E29 PolarHBondContact O-N 3.19Å
26	N	47.5	Very low	46.1	Very low	74 Å²	74	78.8 Å²	78.8	40%	0.396	39%	0.389	S	S	.	.	H	α-helix	trans	-68.3	-30.4	-179.5	-67.5	-25.2	0	0	0	111.4	E22 N30	E22-N26 WeakPolarHBondContact O-CB 3.31Å; E22-N26 PolarHBondContact O-N 2.87Å; E22-N26 PolarHBondContact O-ND2 3.35Å; N26-N30 WeakPolarHBondContact O-CA 3.44Å; N26-N30 WeakPolarHBondContact O-CB 3.47Å; N26-N30 PolarHBondContact O-N 3.47Å; N26-N30 PolarHBondContact O-ND2 2.87Å; N26-N30 VanDerWaalsContact O-ND2 3.16Å
27	S	45.5	Very low	47.2	Very low	33 Å²	33	77.7 Å²	77.7	23%	0.231	38%	0.384	C	S	.	.	H	α-helix	trans	-62.6	-47.6	179	-175.2	0	0	0	0	110.9	E23 S25 I31	E23-S27 WeakPolarHBondContact O-CA 3.18Å; E23-S27 WeakPolarHBondContact O-CB 3.39Å; E23-S27 PolarHBondContact O-N 2.99Å; S25-S27 VanDerWaalsContact C-N 3.28Å; S25-S27 PolarHBondContact O-N 2.95Å; S27-I31 WeakPolarHBondContact O-CB 3.23Å; S27-I31 WeakPolarHBondContact O-CD1 3.46Å; S27-I31 WeakPolarHBondContact O-CG1 3.22Å; S27-I31 PolarHBondContact O-N 2.96Å; S27-I31 WeakPolarHBondContact OG-CD1 3.46Å
28	V	45.4	Very low	48.1	Very low	76 Å²	76	78.9 Å²	78.9	46%	0.461	39%	0.392	S	S	.	.	H	α-helix	trans	-65.9	-47	-178.8	-178.1	0	0	0	0	112.1	S25 I31 Q32	S25-V28 PolarHBondContact O-N 2.8Å; V28-I31 WeakPolarHBondContact O-CB 3.39Å; V28-I31 PolarHBondContact O-N 3.17Å; V28-Q32 WeakPolarHBondContact O-CG 3.48Å; V28-Q32 PolarHBondContact O-N 3.3Å; V28-Q32 VanDerWaalsContact O-N 3.09Å
29	E	46.3	Very low	48.8	Very low	123 Å²	123	73.6 Å²	73.6	58%	0.575	37%	0.374	S	S	*	.	H	α-helix	trans	-68.6	-43.8	179.4	-72.3	-174.7	175.3	0	0	112.2	S25 I31 Q32 R33	S25-E29 PolarHBondContact O-N 3.19Å; E29-I31 VanDerWaalsContact C-N 3.29Å; E29-I31 PolarHBondContact O-N 3.26Å; E29-Q32 PolarHBondContact O-N 2.9Å; E29-R33 WeakPolarHBondContact O-CB 3.48Å; E29-R33 PolarHBondContact O-N 3.44Å
30	N	47.5	Very low	49.9	Very low	85 Å²	85	70.9 Å²	70.9	46%	0.455	37%	0.37	S	S	.	.	H	α-helix	trans	-64.1	-36.9	175.3	-71.6	-28.1	0	0	0	110.7	N26 R33 T34	N26-N30 WeakPolarHBondContact O-CA 3.44Å; N26-N30 WeakPolarHBondContact O-CB 3.47Å; N26-N30 PolarHBondContact O-N 3.47Å; N26-N30 PolarHBondContact O-ND2 2.87Å; N26-N30 VanDerWaalsContact O-ND2 3.16Å; N30-R33 PolarHBondContact O-N 3.29Å; N30-T34 VanDerWaalsContact O-CB 3.25Å; N30-T34 WeakPolarHBondContact O-CB 3.45Å; N30-T34 PolarHBondContact O-N 3.45Å; N30-T34 PolarHBondContact O-OG1 3.24Å
31	I	46.1	Very low	50.9	Low	29 Å²	29	75 Å²	75	15%	0.149	39%	0.39	C	S	.	.	H	α-helix	trans	-58.8	-50	175.7	-80.6	164.7	0	0	0	110.6	S27 V28 E29 R33 F35 W242 L301	S27-I31 WeakPolarHBondContact O-CB 3.23Å; S27-I31 WeakPolarHBondContact O-CD1 3.46Å; S27-I31 WeakPolarHBondContact O-CG1 3.22Å; S27-I31 PolarHBondContact O-N 2.96Å; S27-I31 WeakPolarHBondContact OG-CD1 3.46Å; V28-I31 WeakPolarHBondContact O-CB 3.39Å; V28-I31 PolarHBondContact O-N 3.17Å; E29-I31 VanDerWaalsContact C-N 3.29Å; E29-I31 PolarHBondContact O-N 3.26Å; I31-R33 PolarHBondContact O-N 2.69Å; I31-F35 VanDerWaalsContact O-CB 3.26Å; I31-F35 WeakPolarHBondContact O-CB 3.39Å; I31-F35 PolarHBondContact O-N 3.04Å; I31-W242 HydrophobicContact CD1-CB 3.79Å; I31-W242 HydrophobicContact CG1-CB 3.59Å; I31-W242 HydrophobicContact CG1-CG 4.13Å; I31-L301 HydrophobicContact CB-CD1 4.46Å; I31-L301 HydrophobicContact CD1-CD1 3.99Å; I31-L301 HydrophobicContact CG1-CD1 4.14Å; I31-L301 HydrophobicContact CG2-CD1 3.44Å; I31-L301 VanDerWaalsContact CG2-CD1 3.44Å; I31-L301 HydrophobicContact CG2-CD2 3.5Å; I31-L301 HydrophobicContact CG2-CG 4.09Å
32	Q	51.1	Low	51.2	Low	103 Å²	103	74.7 Å²	74.7	48%	0.481	39%	0.39	S	S	.	.	H	α-helix	trans	-63.6	-42.1	179.6	-72.5	-179.4	-36.7	0	0	111.7	V28 E29 S36	V28-Q32 WeakPolarHBondContact O-CG 3.48Å; V28-Q32 PolarHBondContact O-N 3.3Å; V28-Q32 VanDerWaalsContact O-N 3.09Å; E29-Q32 PolarHBondContact O-N 2.9Å; Q32-S36 WeakPolarHBondContact O-CB 3.13Å; Q32-S36 PolarHBondContact O-N 3.02Å; Q32-S36 PolarHBondContact O-OG 3.16Å
33	R	52.6	Low	51.9	Low	162 Å²	162	74.2 Å²	74.2	61%	0.611	39%	0.39	S	S	*	.	H	α-helix	trans	-67.1	-49.7	179.5	-165.8	178.3	-165.5	145.9	6.5	112.3	E29 N30 I31 F35 S36 E37	E29-R33 WeakPolarHBondContact O-CB 3.48Å; E29-R33 PolarHBondContact O-N 3.44Å; N30-R33 PolarHBondContact O-N 3.29Å; I31-R33 PolarHBondContact O-N 2.69Å; R33-F35 VanDerWaalsContact C-N 3.29Å; R33-F35 PolarHBondContact O-N 3.39Å; R33-S36 PolarHBondContact O-N 3.45Å; R33-S36 VanDerWaalsContact O-N 3.17Å; R33-E37 HydrophobicContact CG-CG 4.45Å; R33-E37 WeakPolarHBondContact CG-OE1 3.2Å; R33-E37 IonicContact NE-OE1 3.59Å; R33-E37 PolarHBondContact NE-OE1 3.44Å; R33-E37 VanDerWaalsContact NE-OE1 3.17Å; R33-E37 WeakPolarHBondContact O-CB 3.39Å; R33-E37 WeakPolarHBondContact O-CG 3.43Å; R33-E37 PolarHBondContact O-N 2.76Å
34	T	49	Very low	52.9	Low	61 Å²	61	74.6 Å²	74.6	37%	0.374	39%	0.392	S	S	.	.	H	α-helix	trans	-60.8	-41.5	179.4	-44.1	0	0	0	0	110.4	N30 T38	N30-T34 VanDerWaalsContact O-CB 3.25Å; N30-T34 WeakPolarHBondContact O-CB 3.45Å; N30-T34 PolarHBondContact O-N 3.45Å; N30-T34 PolarHBondContact O-OG1 3.24Å; T34-T38 HydrophobicContact CG2-CG2 4.23Å; T34-T38 VanDerWaalsContact O-CB 3.3Å; T34-T38 WeakPolarHBondContact O-CB 3.27Å; T34-T38 VanDerWaalsContact O-CG2 3.29Å; T34-T38 WeakPolarHBondContact O-CG2 3.42Å; T34-T38 PolarHBondContact O-N 2.91Å; T34-T38 PolarHBondContact O-OG1 3.03Å
35	F	51.7	Low	53.8	Low	55 Å²	55	76.3 Å²	76.3	24%	0.241	40%	0.402	C	S	.	.	H	α-helix	trans	-64.9	-42.9	177.3	-166.8	-95.4	0	0	0	111.8	I31 R33 T38 A39 L301 N304	I31-F35 VanDerWaalsContact O-CB 3.26Å; I31-F35 WeakPolarHBondContact O-CB 3.39Å; I31-F35 PolarHBondContact O-N 3.04Å; R33-F35 VanDerWaalsContact C-N 3.29Å; R33-F35 PolarHBondContact O-N 3.39Å; F35-T38 PolarHBondContact O-OG1 3.17Å; F35-A39 WeakPolarHBondContact O-CB 3.45Å; F35-A39 PolarHBondContact O-N 3.04Å; F35-L301 HydrophobicContact CD2-CD2 4.36Å; F35-N304 HydrophobicContact CE2-CB 3.39Å; F35-N304 HydrophobicContact CZ-CB 3.47Å; F35-N304 VanDerWaalsContact CZ-CB 3.47Å
36	S	58.6	Low	54.3	Low	67 Å²	67	74.9 Å²	74.9	47%	0.469	39%	0.389	S	S	.	.	H	α-helix	trans	-64.8	-47.4	177.9	-56.6	0	0	0	0	112.1	Q32 R33 L40	Q32-S36 WeakPolarHBondContact O-CB 3.13Å; Q32-S36 PolarHBondContact O-N 3.02Å; Q32-S36 PolarHBondContact O-OG 3.16Å; R33-S36 PolarHBondContact O-N 3.45Å; R33-S36 VanDerWaalsContact O-N 3.17Å; S36-L40 WeakPolarHBondContact O-CB 3.33Å; S36-L40 VanDerWaalsContact O-CG 3.31Å; S36-L40 WeakPolarHBondContact O-CG 3.36Å; S36-L40 PolarHBondContact O-N 2.94Å
37	E	60	Low	55.1	Low	109 Å²	109	76.1 Å²	76.1	51%	0.509	40%	0.395	S	S	.	.	H	α-helix	trans	-67.5	-42.7	-179.1	-71.1	174.7	-174.9	0	0	111.8	R33 L40 L41	R33-E37 HydrophobicContact CG-CG 4.45Å; R33-E37 WeakPolarHBondContact CG-OE1 3.2Å; R33-E37 IonicContact NE-OE1 3.59Å; R33-E37 PolarHBondContact NE-OE1 3.44Å; R33-E37 VanDerWaalsContact NE-OE1 3.17Å; R33-E37 WeakPolarHBondContact O-CB 3.39Å; R33-E37 WeakPolarHBondContact O-CG 3.43Å; R33-E37 PolarHBondContact O-N 2.76Å; E37-L40 PolarHBondContact O-N 2.61Å; E37-L41 VanDerWaalsContact O-CB 3.31Å; E37-L41 WeakPolarHBondContact O-CB 3.48Å; E37-L41 PolarHBondContact O-N 3.11Å
38	T	56.9	Low	56.2	Low	47 Å²	47	77.5 Å²	77.5	29%	0.288	40%	0.4	S	S	.	.	H	α-helix	trans	-70.1	-36.5	178.2	53.1	0	0	0	0	112.9	T34 F35 S42	T34-T38 HydrophobicContact CG2-CG2 4.23Å; T34-T38 VanDerWaalsContact O-CB 3.3Å; T34-T38 WeakPolarHBondContact O-CB 3.27Å; T34-T38 VanDerWaalsContact O-CG2 3.29Å; T34-T38 WeakPolarHBondContact O-CG2 3.42Å; T34-T38 PolarHBondContact O-N 2.91Å; T34-T38 PolarHBondContact O-OG1 3.03Å; F35-T38 PolarHBondContact O-OG1 3.17Å; T38-S42 VanDerWaalsContact O-CB 3.25Å; T38-S42 WeakPolarHBondContact O-CB 3.1Å; T38-S42 PolarHBondContact O-N 3.39Å
39	A	55.8	Low	57	Low	25 Å²	25	80.5 Å²	80.5	21%	0.207	40%	0.403	C	S	.	.	H	α-helix	trans	-64.5	-45.6	174.3	0	0	0	0	0	111.4	F35 S42 L43	F35-A39 WeakPolarHBondContact O-CB 3.45Å; F35-A39 PolarHBondContact O-N 3.04Å; A39-S42 PolarHBondContact O-N 2.97Å; A39-L43 WeakPolarHBondContact O-CB 2.98Å; A39-L43 WeakPolarHBondContact O-CG 3.38Å; A39-L43 PolarHBondContact O-N 2.91Å
40	L	64.8	Low	57.3	Low	109 Å²	109	78 Å²	78	57%	0.571	40%	0.399	S	S	*	.	H	α-helix	trans	-63.7	-45.2	176.3	-73.5	176.5	0	0	0	112	S36 E37 S42 L43 Q44	S36-L40 WeakPolarHBondContact O-CB 3.33Å; S36-L40 VanDerWaalsContact O-CG 3.31Å; S36-L40 WeakPolarHBondContact O-CG 3.36Å; S36-L40 PolarHBondContact O-N 2.94Å; E37-L40 PolarHBondContact O-N 2.61Å; L40-S42 VanDerWaalsContact C-N 3.33Å; L40-S42 PolarHBondContact O-N 2.81Å; L40-L43 PolarHBondContact O-N 3.17Å; L40-Q44 WeakPolarHBondContact O-CB 3.43Å; L40-Q44 PolarHBondContact O-N 2.77Å
41	L	61.6	Low	57.9	Low	112 Å²	112	79.9 Å²	79.9	59%	0.586	41%	0.408	S	S	*	.	H	α-helix	trans	-65.7	-36.6	178.6	-160.4	77.6	0	0	0	111.9	E37 N45	E37-L41 VanDerWaalsContact O-CB 3.31Å; E37-L41 WeakPolarHBondContact O-CB 3.48Å; E37-L41 PolarHBondContact O-N 3.11Å; L41-N45 WeakPolarHBondContact O-CB 3.18Å; L41-N45 PolarHBondContact O-N 2.85Å; L41-N45 PolarHBondContact O-ND2 3.39Å
42	S	54.4	Low	58.5	Low	25 Å²	25	86.3 Å²	86.3	18%	0.175	44%	0.438	C	S	.	.	H	α-helix	trans	-64.6	-44.7	174.2	-172.3	0	0	0	0	111.5	T38 A39 L40 Q46 T308	T38-S42 VanDerWaalsContact O-CB 3.25Å; T38-S42 WeakPolarHBondContact O-CB 3.1Å; T38-S42 PolarHBondContact O-N 3.39Å; A39-S42 PolarHBondContact O-N 2.97Å; L40-S42 VanDerWaalsContact C-N 3.33Å; L40-S42 PolarHBondContact O-N 2.81Å; S42-Q46 WeakPolarHBondContact O-CB 3.2Å; S42-Q46 VanDerWaalsContact O-CG 3.24Å; S42-Q46 WeakPolarHBondContact O-CG 3.37Å; S42-Q46 PolarHBondContact O-N 3.24Å; S42-T308 WeakPolarHBondContact OG-CG2 3.45Å
43	L	58.9	Low	58.6	Low	85 Å²	85	88 Å²	88	45%	0.445	44%	0.444	S	S	.	.	H	α-helix	trans	-62.6	-45.3	175.3	-80.2	163.5	0	0	0	111.7	A39 L40 Q46 L47	A39-L43 WeakPolarHBondContact O-CB 2.98Å; A39-L43 WeakPolarHBondContact O-CG 3.38Å; A39-L43 PolarHBondContact O-N 2.91Å; L40-L43 PolarHBondContact O-N 3.17Å; L43-Q46 WeakPolarHBondContact O-CB 3.29Å; L43-Q46 PolarHBondContact O-N 3.27Å; L43-Q46 VanDerWaalsContact O-N 3.15Å; L43-L47 WeakPolarHBondContact O-CG 3.28Å; L43-L47 PolarHBondContact O-N 3.27Å
44	Q	67.4	Low	58	Low	92 Å²	92	83.7 Å²	83.7	43%	0.43	45%	0.45	S	S	.	.	H	α-helix	trans	-60.7	-50.3	177.5	-171.5	64.5	40	0	0	111	L40 Q46 L47 D48	L40-Q44 WeakPolarHBondContact O-CB 3.43Å; L40-Q44 PolarHBondContact O-N 2.77Å; Q44-Q46 PolarHBondContact O-N 3.42Å; Q44-Q46 VanDerWaalsContact O-N 3.15Å; Q44-L47 PolarHBondContact O-N 3.24Å; Q44-L47 VanDerWaalsContact O-N 3.11Å; Q44-D48 PolarHBondContact NE2-OD1 3.15Å; Q44-D48 VanDerWaalsContact NE2-OD1 3.09Å; Q44-D48 PolarHBondContact O-N 3.2Å
45	N	62.9	Low	57.6	Low	73 Å²	73	87.2 Å²	87.2	39%	0.39	46%	0.462	S	S	.	.	H	α-helix	trans	-62.5	-24	177	-73.9	-38.5	0	0	0	113.1	L41 R49	L41-N45 WeakPolarHBondContact O-CB 3.18Å; L41-N45 PolarHBondContact O-N 2.85Å; L41-N45 PolarHBondContact O-ND2 3.39Å; N45-R49 WeakPolarHBondContact O-CB 3.13Å; N45-R49 VanDerWaalsContact O-CG 3.26Å; N45-R49 WeakPolarHBondContact O-CG 3.47Å; N45-R49 PolarHBondContact O-N 3.44Å; N45-R49 PolarHBondContact O-NE 3.15Å
46	Q	56	Low	56.8	Low	28 Å²	28	93.7 Å²	93.7	13%	0.131	49%	0.486	C	S	.	.	H	α-helix	trans	-80.4	-41.9	173.9	-75.5	174.7	13.5	0	0	111.5	S42 L43 Q44 D48 R49 S50	S42-Q46 WeakPolarHBondContact O-CB 3.2Å; S42-Q46 VanDerWaalsContact O-CG 3.24Å; S42-Q46 WeakPolarHBondContact O-CG 3.37Å; S42-Q46 PolarHBondContact O-N 3.24Å; L43-Q46 WeakPolarHBondContact O-CB 3.29Å; L43-Q46 PolarHBondContact O-N 3.27Å; L43-Q46 VanDerWaalsContact O-N 3.15Å; Q44-Q46 PolarHBondContact O-N 3.42Å; Q44-Q46 VanDerWaalsContact O-N 3.15Å; Q46-D48 VanDerWaalsContact C-N 3.33Å; Q46-R49 PolarHBondContact O-N 3.08Å; Q46-S50 WeakPolarHBondContact O-CB 3.14Å; Q46-S50 PolarHBondContact O-N 2.99Å; Q46-S50 PolarHBondContact O-OG 3.45Å
47	L	64.2	Low	55.5	Low	100 Å²	100	98.8 Å²	98.8	52%	0.524	51%	0.508	S	S	.	.	H	α-helix	trans	-58.8	-46.1	172.3	-75.6	168.4	0	0	0	111	L43 Q44 R49 S50 L51	L43-L47 WeakPolarHBondContact O-CG 3.28Å; L43-L47 PolarHBondContact O-N 3.27Å; Q44-L47 PolarHBondContact O-N 3.24Å; Q44-L47 VanDerWaalsContact O-N 3.11Å; L47-R49 PolarHBondContact O-N 3.48Å; L47-S50 PolarHBondContact O-N 3.45Å; L47-L51 WeakPolarHBondContact O-CB 3.41Å; L47-L51 WeakPolarHBondContact O-CD1 3.1Å; L47-L51 WeakPolarHBondContact O-CG 3.43Å; L47-L51 PolarHBondContact O-N 3.48Å
48	D	69.9	Low	54.5	Low	62 Å²	62	100.4 Å²	100.4	33%	0.332	52%	0.52	S	S	.	.	H	α-helix	trans	-62.7	-43.2	178.5	-63	-20.2	0	0	0	111	Q44 Q46 S50 L51 E52	Q44-D48 PolarHBondContact NE2-OD1 3.15Å; Q44-D48 VanDerWaalsContact NE2-OD1 3.09Å; Q44-D48 PolarHBondContact O-N 3.2Å; Q46-D48 VanDerWaalsContact C-N 3.33Å; D48-S50 PolarHBondContact O-N 3.47Å; D48-L51 PolarHBondContact O-N 3.4Å; D48-E52 WeakPolarHBondContact O-CG 2.95Å; D48-E52 PolarHBondContact O-N 2.95Å
49	R	60.7	Low	53.3	Low	139 Å²	139	105.4 Å²	105.4	53%	0.525	55%	0.545	S	S	.	.	H	α-helix	trans	-67.1	-32.6	175.3	-79.6	-177.5	-73.9	-157.2	-0.5	113.6	N45 Q46 L47 K53	N45-R49 WeakPolarHBondContact O-CB 3.13Å; N45-R49 VanDerWaalsContact O-CG 3.26Å; N45-R49 WeakPolarHBondContact O-CG 3.47Å; N45-R49 PolarHBondContact O-N 3.44Å; N45-R49 PolarHBondContact O-NE 3.15Å; Q46-R49 PolarHBondContact O-N 3.08Å; L47-R49 PolarHBondContact O-N 3.48Å; R49-K53 WeakPolarHBondContact O-CG 3.39Å; R49-K53 PolarHBondContact O-N 3.46Å
50	S	54.1	Low	52.3	Low	71 Å²	71	109.5 Å²	109.5	50%	0.497	56%	0.562	S	S	.	*	H	α-helix	trans	-73.3	-38.9	174.8	-75.5	0	0	0	0	111.5	Q46 L47 D48 K53	Q46-S50 WeakPolarHBondContact O-CB 3.14Å; Q46-S50 PolarHBondContact O-N 2.99Å; Q46-S50 PolarHBondContact O-OG 3.45Å; L47-S50 PolarHBondContact O-N 3.45Å; D48-S50 PolarHBondContact O-N 3.47Å; S50-K53 PolarHBondContact O-N 3.4Å
51	L	59.6	Low	50.8	Low	123 Å²	123	109.1 Å²	109.1	64%	0.644	57%	0.569	S	S	*	*	H	α-helix	trans	-63.4	-40.5	173.2	-80.9	157.7	0	0	0	111.9	L47 D48 K53 G54	L47-L51 WeakPolarHBondContact O-CB 3.41Å; L47-L51 WeakPolarHBondContact O-CD1 3.1Å; L47-L51 WeakPolarHBondContact O-CG 3.43Å; L47-L51 PolarHBondContact O-N 3.48Å; D48-L51 PolarHBondContact O-N 3.4Å; L51-K53 VanDerWaalsContact C-N 3.26Å; L51-K53 PolarHBondContact O-N 2.66Å; L51-G54 PolarHBondContact O-N 2.98Å
52	E	58.3	Low	49.6	Very low	165 Å²	165	107.8 Å²	107.8	77%	0.771	57%	0.569	S	S	*	*	H	α-helix	trans	-65.8	-25.4	175.3	-76.7	179.3	172.1	0	0	113.4	D48 G54	D48-E52 WeakPolarHBondContact O-CG 2.95Å; D48-E52 PolarHBondContact O-N 2.95Å; E52-G54 VanDerWaalsContact C-N 3.31Å; E52-G54 PolarHBondContact O-N 3.45Å
53	K	53.5	Low	48.5	Very low	137 Å²	137	115.3 Å²	115.3	60%	0.596	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	4.4	-179.8	-74.6	-172.9	178	-153.3	0	114.3	R49 S50 L51 E55 D272	R49-K53 WeakPolarHBondContact O-CG 3.39Å; R49-K53 PolarHBondContact O-N 3.46Å; S50-K53 PolarHBondContact O-N 3.4Å; L51-K53 VanDerWaalsContact C-N 3.26Å; L51-K53 PolarHBondContact O-N 2.66Å; K53-E55 PolarHBondContact O-N 3.12Å; K53-E55 VanDerWaalsContact O-N 3.12Å; K53-D272 IonicContact NZ-OD2 3.17Å; K53-D272 PolarHBondContact NZ-OD2 3.07Å
54	G	40.8	Very low	47.3	Very low	72 Å²	72	118.3 Å²	118.3	74%	0.742	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.1	12.8	169.6	0	0	0	0	0	115.2	L51 E52	L51-G54 PolarHBondContact O-N 2.98Å; E52-G54 VanDerWaalsContact C-N 3.31Å; E52-G54 PolarHBondContact O-N 3.45Å
55	E	39.1	Very low	45.5	Very low	136 Å²	136	119.4 Å²	119.4	64%	0.636	62%	0.623	S	S	*	*			trans	-105.6	121.8	175.7	-68.6	-177.9	164.6	0	0	107.8	K53	K53-E55 PolarHBondContact O-N 3.12Å; K53-E55 VanDerWaalsContact O-N 3.12Å
56	Y	34.8	Very low	44	Very low	191 Å²	191	120.2 Å²	120.2	75%	0.749	64%	0.64	S	S	*	*			trans	87.8	99.9	178.8	-48.8	-75.1	0	0	0	117.7	L58	Y56-L58 PolarHBondContact O-N 2.81Å
57	N	31.4	Very low	42.8	Very low	173 Å²	173	124.8 Å²	124.8	93%	0.925	68%	0.675	S	S	*	*			trans	-73.9	98.7	153.5	-106.6	-46.4	0	0	0	108.4
58	L	40	Very low	41.2	Very low	144 Å²	144	127.5 Å²	127.5	75%	0.754	69%	0.69	S	S	*	*			trans	-125.6	109.8	163	-76.8	171.7	0	0	0	109.1	Y56 L60	Y56-L58 PolarHBondContact O-N 2.81Å; L58-L60 PolarHBondContact O-N 2.93Å
59	N	31.8	Very low	39.6	Very low	151 Å²	151	131.7 Å²	131.7	81%	0.807	71%	0.712	S	S	*	*			trans	-59.4	96.3	168	-102.3	-30.2	0	0	0	109
60	L	35.3	Very low	38.4	Very low	111 Å²	111	133.5 Å²	133.5	58%	0.581	72%	0.724	S	S	*	*			trans	-124.3	29	168.3	-138.3	80.7	0	0	0	111.7	L58 S62 Y63	L58-L60 PolarHBondContact O-N 2.93Å; L60-S62 PolarHBondContact O-N 3.26Å; L60-Y63 HydrophobicContact CD1-CD2 3.8Å; L60-Y63 HydrophobicContact CD1-CE2 4.35Å; L60-Y63 HydrophobicContact CG-CD2 4.03Å; L60-Y63 HydrophobicContact CG-CG 4.48Å
61	S	32.7	Very low	37.3	Very low	102 Å²	102	138 Å²	138	71%	0.713	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	1.5	170.9	61.1	0	0	0	0	113.6
62	S	35.1	Very low	36	Very low	83 Å²	83	139.6 Å²	139.6	58%	0.58	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109	3.1	179.9	61.3	0	0	0	0	115.3	L60	L60-S62 PolarHBondContact O-N 3.26Å
63	Y	32.3	Very low	34.5	Very low	184 Å²	184	142.3 Å²	142.3	72%	0.722	75%	0.751	S	S	*	*	S	Bend	trans	-112.1	-2.1	-175.9	-81.1	-83.8	0	0	0	115.3	L60	L60-Y63 HydrophobicContact CD1-CD2 3.8Å; L60-Y63 HydrophobicContact CD1-CE2 4.35Å; L60-Y63 HydrophobicContact CG-CD2 4.03Å; L60-Y63 HydrophobicContact CG-CG 4.48Å
64	I	32.9	Very low	33.4	Very low	148 Å²	148	144.9 Å²	144.9	76%	0.759	77%	0.765	S	S	*	*	S	Bend	trans	-112	-0.2	-179.2	-61.3	178.4	0	0	0	112.2
65	T	30.2	Very low	32.9	Very low	115 Å²	115	146.2 Å²	146.2	71%	0.706	76%	0.763	S	S	*	*			trans	-123.3	69.1	-177.6	47.2	0	0	0	0	111.9
66	A	30.7	Very low	32.5	Very low	90 Å²	90	146 Å²	146	74%	0.744	77%	0.773	S	S	*	*			trans	-155.7	97.9	162.5	0	0	0	0	0	109.1
67	S	30.8	Very low	32.3	Very low	124 Å²	124	143.5 Å²	143.5	87%	0.867	76%	0.762	S	S	*	*			trans	161.3	52.5	147	-66.6	0	0	0	0	110.4
68	D	31.8	Very low	32.2	Very low	157 Å²	157	140.1 Å²	140.1	84%	0.84	75%	0.753	S	S	*	*			trans	-110	94.7	156	-89.2	-27.1	0	0	0	105.6
69	D	35.8	Very low	31.6	Very low	149 Å²	149	145.7 Å²	145.7	80%	0.797	76%	0.764	S	S	*	*			trans	-175	110.9	150.7	-92.3	-31	0	0	0	110.8
70	K	35.8	Very low	31.6	Very low	177 Å²	177	146.1 Å²	146.1	77%	0.77	76%	0.761	S	S	*	*			trans	65	116.4	148	-63.5	-173.6	178.2	178.6	0	121.5
71	E	30.5	Very low	31.2	Very low	167 Å²	167	147.3 Å²	147.3	78%	0.78	77%	0.765	S	S	*	*			trans	55.9	96.2	130.4	-61.1	-178.6	173.8	0	0	118.6
72	N	32.2	Very low	31	Very low	156 Å²	156	149.9 Å²	149.9	83%	0.834	77%	0.77	S	S	*	*				176	149.3	109.4	-95.5	-48.8	0	0	0	112
73	Y	27.7	Very low	30.9	Very low	222 Å²	222	151.8 Å²	151.8	87%	0.871	77%	0.772	S	S	*	*			trans	-49.9	126.5	173.8	-86	-109.5	0	0	0	112.9
74	E	30.7	Very low	30.7	Very low	191 Å²	191	148 Å²	148	89%	0.893	77%	0.77	S	S	*	*			trans	-176	124.2	140.5	-104.1	167.3	-167.9	0	0	112.1
75	S	30.3	Very low	30.6	Very low	99 Å²	99	148.6 Å²	148.6	69%	0.692	78%	0.775	S	S	*	*			trans	27.5	125	158.9	-165.3	0	0	0	0	122	R77	S75-R77 PolarHBondContact O-N 2.98Å
76	P	29.4	Very low	30.6	Very low	132 Å²	132	151.5 Å²	151.5	86%	0.857	78%	0.781	S	S	*	*			trans	-85.4	92.1	169.6	34.4	-27.8	0	0	0	110.7
77	R	30.5	Very low	30.8	Very low	138 Å²	138	155.3 Å²	155.3	52%	0.521	79%	0.787	S	S	.	*			trans	-127	130.3	159.2	-94.5	-177.7	164.1	-165.2	-5.9	110.5	S75 D372	S75-R77 PolarHBondContact O-N 2.98Å; R77-D372 PolarHBondContact NH1-O 2.75Å; R77-D372 PolarHBondContact NH2-O 3.24Å
78	S	30.4	Very low	30.8	Very low	103 Å²	103	154.2 Å²	154.2	72%	0.72	78%	0.775	S	S	*	*			trans	75.3	70.2	163.3	-47.3	0	0	0	0	117.4	Q80	S78-Q80 VanDerWaalsContact C-N 3.31Å; S78-Q80 PolarHBondContact O-N 3.16Å
79	R	27.5	Very low	30.7	Very low	260 Å²	260	155 Å²	155	98%	0.981	77%	0.773	S	S	*	*			trans	-80.3	86.5	148.1	-80.8	-170.3	-174.7	-162.8	1.5	108.7	M81	R79-M81 PolarHBondContact O-N 2.82Å
80	Q	30.3	Very low	30.4	Very low	161 Å²	161	155.2 Å²	155.2	75%	0.752	77%	0.774	S	S	*	*			trans	-69.4	116	163.5	-80.1	175.7	-17	0	0	108.5	S78 L82	S78-Q80 VanDerWaalsContact C-N 3.31Å; S78-Q80 PolarHBondContact O-N 3.16Å; Q80-L82 PolarHBondContact O-N 3.06Å
81	M	26.7	Very low	30.3	Very low	135 Å²	135	156.4 Å²	156.4	67%	0.665	78%	0.782	S	S	*	*			trans	-73.7	100.3	162.4	-103.9	-171.5	69.1	0	0	108.2	R79 I83	R79-M81 PolarHBondContact O-N 2.82Å; M81-I83 HydrophobicContact CE-CG1 4.11Å; M81-I83 PolarHBondContact O-N 3.43Å
82	L	30.1	Very low	30.5	Very low	156 Å²	156	155.9 Å²	155.9	82%	0.817	78%	0.783	S	S	*	*			trans	-72.8	107.2	160.4	-72.9	164.7	0	0	0	107.3	Q80	Q80-L82 PolarHBondContact O-N 3.06Å
83	I	31.6	Very low	30.2	Very low	123 Å²	123	153.7 Å²	153.7	63%	0.631	78%	0.78	S	S	*	*			trans	-77.7	126.9	164.8	-59.4	175.9	0	0	0	106.6	M81 N85	M81-I83 HydrophobicContact CE-CG1 4.11Å; M81-I83 PolarHBondContact O-N 3.43Å; I83-N85 PolarHBondContact O-N 3.28Å
84	P	29.4	Very low	30.3	Very low	105 Å²	105	151.2 Å²	151.2	68%	0.682	78%	0.781	S	S	*	*			trans	-59.7	129.5	-179.2	-23.7	33.3	0	0	0	112.7	E86	P84-E86 PolarHBondContact O-N 2.9Å
85	N	30.1	Very low	30.1	Very low	161 Å²	161	148.1 Å²	148.1	86%	0.861	78%	0.777	S	S	*	*	S	Bend	trans	-71.5	24.4	179.1	-91.1	-20.2	0	0	0	114.7	I83	I83-N85 PolarHBondContact O-N 3.28Å
86	E	30.6	Very low	29.9	Very low	176 Å²	176	147.3 Å²	147.3	82%	0.822	78%	0.784	S	S	*	*			trans	-122.5	31.2	-167.8	-66.9	-169.8	167.2	0	0	115.2	P84	P84-E86 PolarHBondContact O-N 2.9Å
87	I	33.9	Very low	29.9	Very low	170 Å²	170	145.8 Å²	145.8	87%	0.872	78%	0.777	S	S	*	*	S	Bend	trans	-114	36.9	163.6	-42.5	-180	0	0	0	110.2
88	V	32	Very low	29.7	Very low	101 Å²	101	148.4 Å²	148.4	61%	0.612	80%	0.795	S	S	*	*	S	Bend	trans	-122	126.1	167.9	-177.6	0	0	0	0	105.2
89	H	29.8	Very low	30	Very low	172 Å²	172	152.4 Å²	152.4	80%	0.796	80%	0.796	S	S	*	*	S	Bend	trans	88.8	73.3	-167.2	-51.5	-58.6	0	0	0	115.2
90	N	29.3	Very low	30.1	Very low	155 Å²	155	149.6 Å²	149.6	83%	0.829	79%	0.794	S	S	*	*			trans	-176.7	70.3	135.4	-90.4	-22.8	0	0	0	110.1
91	H	34	Very low	30.2	Very low	201 Å²	201	145.7 Å²	145.7	93%	0.931	79%	0.785	S	S	*	*			trans	-153.5	125.3	149	-92.3	-65.2	0	0	0	110.1
92	I	33.5	Very low	30.6	Very low	156 Å²	156	143.8 Å²	143.8	80%	0.8	78%	0.777	S	S	*	*			trans	-75.1	128.1	-171.7	-72	158.5	0	0	0	110.3
93	S	27	Very low	30.5	Very low	110 Å²	110	144.4 Å²	144.4	77%	0.769	78%	0.78	S	S	*	*			trans	43.4	92.7	147.8	-48	0	0	0	0	119.5
94	L	29.3	Very low	30.4	Very low	170 Å²	170	144.2 Å²	144.2	89%	0.89	79%	0.788	S	S	*	*			trans	-135.4	138.5	149.6	-100.7	118.8	0	0	0	110.5
95	P	27	Very low	30.6	Very low	126 Å²	126	146.3 Å²	146.3	82%	0.818	79%	0.787	S	S	*	*			trans	-80.4	129.5	-169.8	31.2	-32.2	0	0	0	112.3
96	G	24.7	Very low	30.6	Very low	82 Å²	82	142.8 Å²	142.8	85%	0.845	77%	0.773	S	S	*	*			trans	64.1	83.3	144.6	0	0	0	0	0	117.8
97	S	30.3	Very low	30.6	Very low	101 Å²	101	140.9 Å²	140.9	71%	0.706	77%	0.768	S	S	*	*			trans	-135	122.7	148	84	0	0	0	0	109.6	Y99	S97-Y99 PolarHBondContact O-N 3.5Å
98	Q	27.3	Very low	30.4	Very low	193 Å²	193	136.4 Å²	136.4	90%	0.902	75%	0.749	S	S	*	*	S	Bend	trans	-70	77.3	-174.8	-63.8	174.2	-37.7	0	0	111.4
99	Y	36.6	Very low	30.8	Very low	186 Å²	186	136.4 Å²	136.4	73%	0.729	75%	0.745	S	S	*	*			trans	-149.1	35.2	176.2	-77.3	-77	0	0	0	112.9	S97	S97-Y99 PolarHBondContact O-N 3.5Å
100	E	28.8	Very low	31.1	Very low	201 Å²	201	134.9 Å²	134.9	94%	0.939	74%	0.742	S	S	*	*			trans	-100.5	24.2	-170.8	-125.1	177.2	-165	0	0	114.8
101	S	32.6	Very low	31.3	Very low	80 Å²	80	133 Å²	133	56%	0.559	73%	0.729	S	S	*	*			trans	-121.2	8.8	-177.2	54.4	0	0	0	0	116.4	L103	S101-L103 PolarHBondContact O-N 3.1Å
102	D	34.4	Very low	31.4	Very low	94 Å²	94	128.2 Å²	128.2	50%	0.503	70%	0.703	S	S	.	*			trans	-93.3	18.7	-171	-69.2	-12.3	0	0	0	115
103	L	29.1	Very low	31.4	Very low	170 Å²	170	124.8 Å²	124.8	89%	0.89	69%	0.686	S	S	*	*			trans	-110.8	68.4	-177	-66.8	174.2	0	0	0	112.6	S101	S101-L103 PolarHBondContact O-N 3.1Å
104	C	28.6	Very low	31.7	Very low	118 Å²	118	125.4 Å²	125.4	80%	0.797	68%	0.68	S	S	*	*			trans	-161.6	99.2	152.6	-144.2	0	0	0	0	109.7
105	F	33.7	Very low	31.8	Very low	150 Å²	150	120.8 Å²	120.8	66%	0.658	66%	0.661	S	S	*	*			trans	-99.3	114	169.8	-75.1	-77.4	0	0	0	109.1	N107	F105-N107 PolarHBondContact O-N 2.71Å
106	P	29.3	Very low	32.2	Very low	87 Å²	87	120.4 Å²	120.4	57%	0.565	66%	0.657	S	S	*	*			trans	-71.6	112.7	171.3	-10.3	25.9	0	0	0	109.1	T108	P106-T108 PolarHBondContact O-N 3.22Å
107	N	32.3	Very low	32.6	Very low	135 Å²	135	120.1 Å²	120.1	72%	0.722	64%	0.642	S	S	*	*			trans	-74.7	22.4	-178.5	-71.5	-28.4	0	0	0	114.4	F105	F105-N107 PolarHBondContact O-N 2.71Å
108	T	29.9	Very low	32.6	Very low	77 Å²	77	121.1 Å²	121.1	47%	0.472	64%	0.639	S	S	.	*			trans	-127.5	114.8	-176.1	40.6	0	0	0	0	111.2	P106 D110 H111	P106-T108 PolarHBondContact O-N 3.22Å; T108-D110 PolarHBondContact O-N 2.87Å; T108-D110 VanDerWaalsContact O-N 3.1Å; T108-H111 PolarHBondContact O-N 3.47Å
109	I	39.5	Very low	32.9	Very low	100 Å²	100	119.4 Å²	119.4	51%	0.513	64%	0.636	S	S	.	*	G	3₁₀ helix	trans	-54.1	-25.8	177.6	-71.6	168.9	0	0	0	112.1	H111 Y112	I109-H111 PolarHBondContact O-N 3.07Å; I109-Y112 WeakPolarHBondContact O-CD2 3.44Å; I109-Y112 PolarHBondContact O-N 3.29Å
110	D	35.7	Very low	32.8	Very low	140 Å²	140	114 Å²	114	75%	0.749	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-71.1	-13.5	-173.5	-56.2	-28.6	0	0	0	114.4	T108	T108-D110 PolarHBondContact O-N 2.87Å; T108-D110 VanDerWaalsContact O-N 3.1Å
111	H	33.5	Very low	33.3	Very low	117 Å²	117	110.1 Å²	110.1	54%	0.542	62%	0.622	S	S	.	*	G	3₁₀ helix	trans	-87.8	-6.8	-179.1	-128.3	-57	0	0	0	114.3	T108 I109	T108-H111 PolarHBondContact O-N 3.47Å; I109-H111 PolarHBondContact O-N 3.07Å
112	Y	36.2	Very low	34.3	Very low	99 Å²	99	111.6 Å²	111.6	39%	0.388	62%	0.62	S	S	.	*	H	α-helix	trans	-74.9	-25.4	-176.5	-81.2	-86	0	0	0	114	I109 L114 C115	I109-Y112 WeakPolarHBondContact O-CD2 3.44Å; I109-Y112 PolarHBondContact O-N 3.29Å; Y112-L114 VanDerWaalsContact C-N 3.27Å; Y112-L114 PolarHBondContact O-N 3.31Å; Y112-C115 PolarHBondContact O-N 3.42Å
113	D	34.4	Very low	35.2	Very low	85 Å²	85	108.8 Å²	108.8	46%	0.455	61%	0.608	S	S	.	*	H	α-helix	trans	-77.7	-14.1	179.9	-70.1	-23.1	0	0	0	112.9	S117 K293	D113-S117 PolarHBondContact O-OG 3.09Å; D113-K293 IonicContact OD1-NZ 2.83Å; D113-K293 PolarHBondContact OD1-NZ 2.95Å
114	L	33.6	Very low	37.3	Very low	122 Å²	122	105.2 Å²	105.2	64%	0.639	60%	0.595	S	S	*	*	H	α-helix	trans	-86	-21.5	175.4	-150.5	74.8	0	0	0	113.1	Y112 S117	Y112-L114 VanDerWaalsContact C-N 3.27Å; Y112-L114 PolarHBondContact O-N 3.31Å; L114-S117 PolarHBondContact O-OG 3.38Å
115	C	29.4	Very low	39.8	Very low	73 Å²	73	101.4 Å²	101.4	49%	0.493	56%	0.564	S	S	.	*	H	α-helix	trans	-89.3	-11.9	-175.6	-141.4	0	0	0	0	113.2	Y112	Y112-C115 PolarHBondContact O-N 3.42Å
116	T	36.4	Very low	42.5	Very low	118 Å²	118	96.7 Å²	96.7	72%	0.724	55%	0.548	S	S	*	.	S	Bend	trans	-101.7	-4.7	-178.3	51.1	0	0	0	0	113.9
117	S	33.4	Very low	45.6	Very low	76 Å²	76	94.1 Å²	94.1	53%	0.531	53%	0.532	S	S	.	.	S	Bend	trans	-107.7	-5.6	-168.7	36.4	0	0	0	0	115.1	D113 L114	D113-S117 PolarHBondContact O-OG 3.09Å; L114-S117 PolarHBondContact O-OG 3.38Å
118	N	30.9	Very low	48.5	Very low	122 Å²	122	87.8 Å²	87.8	65%	0.652	50%	0.498	S	S	*	.	S	Bend	trans	-130.9	114.6	174.2	-79.6	-28.1	0	0	0	111.1
119	D	32.5	Very low	51.6	Low	158 Å²	158	88 Å²	88	85%	0.845	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	35	97.4	155.9	-67.4	-26	0	0	0	118.6	L121	D119-L121 PolarHBondContact O-N 2.85Å; D119-L121 VanDerWaalsContact O-N 3.14Å
120	G	33.9	Very low	54.3	Low	72 Å²	72	83.8 Å²	83.8	74%	0.742	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	1.5	151	0	0	0	0	0	118.5	H122	G120-H122 PolarHBondContact O-N 3.39Å
121	L	40.8	Very low	57.2	Low	119 Å²	119	81.1 Å²	81.1	62%	0.623	46%	0.458	S	S	*	.			trans	-74.5	99.5	-178	-85.8	108.8	0	0	0	113.4	D119	D119-L121 PolarHBondContact O-N 2.85Å; D119-L121 VanDerWaalsContact O-N 3.14Å
122	H	53.2	Low	60.1	Low	111 Å²	111	78.2 Å²	78.2	51%	0.514	45%	0.445	S	S	.	.			trans	-3.8	122.2	153.3	-51.3	-43	0	0	0	117.8	G120 H202	G120-H122 PolarHBondContact O-N 3.39Å; H122-H202 WeakPolarHBondContact CB-NE2 3.44Å; H122-H202 AromaticContact CD2-CD2 3.7Å; H122-H202 AromaticContact CD2-CE1 3.72Å; H122-H202 AromaticContact CD2-NE2 3.02Å; H122-H202 PolarHBondContact CD2-NE2 2.89Å; H122-H202 AromaticContact CE1-CD2 3.48Å; H122-H202 PolarHBondContact CE1-CD2 2.72Å; H122-H202 VanDerWaalsContact CE1-CD2 3.48Å; H122-H202 AromaticContact CE1-CE1 3.27Å; H122-H202 PolarHBondContact CE1-CE1 3.43Å; H122-H202 AromaticContact CE1-CG 3.86Å; H122-H202 AromaticContact CE1-ND1 3.67Å; H122-H202 AromaticContact CE1-NE2 3.17Å; H122-H202 PolarHBondContact CE1-NE2 3.03Å; H122-H202 AromaticContact CG-CD2 3.88Å; H122-H202 AromaticContact CG-CE1 3.09Å; H122-H202 AromaticContact CG-NE2 2.85Å; H122-H202 AromaticContact ND1-CD2 3.8Å; H122-H202 AromaticContact ND1-CE1 2.82Å; H122-H202 PolarHBondContact ND1-CE1 3.5Å; H122-H202 AromaticContact ND1-ND1 3.57Å; H122-H202 AromaticContact ND1-NE2 3.01Å; H122-H202 PolarHBondContact ND1-NE2 2.69Å; H122-H202 AromaticContact NE2-CD2 3.45Å; H122-H202 PolarHBondContact NE2-CD2 3.05Å; H122-H202 AromaticContact NE2-CE1 3.82Å; H122-H202 AromaticContact NE2-NE2 3.23Å; H122-H202 PolarHBondContact NE2-NE2 3.12Å
123	S	52.1	Low	62.8	Low	36 Å²	36	73.5 Å²	73.5	25%	0.252	43%	0.427	S	S	.	.			trans	-62.1	131.3	171	53.6	0	0	0	0	110.4	W125 S127 R326	S123-W125 PolarHBondContact O-N 3.07Å; S123-W125 VanDerWaalsContact O-N 3.15Å; S123-W125 PolarHBondContact OG-O 3.25Å; S123-S127 PolarHBondContact OG-OG 3.28Å; S123-R326 PolarHBondContact OG-NH2 2.85Å
124	P	74.8	Confident	65.7	Low	95 Å²	95	69.4 Å²	69.4	62%	0.617	41%	0.405	S	S	*	.	S	Bend	trans	-73.9	-4.6	-176	27.3	-31.1	0	0	0	113.7
125	W	79.8	Confident	68.5	Low	38 Å²	38	67.6 Å²	67.6	14%	0.144	40%	0.396	C	S	.	.	S	Bend	trans	-111.7	149.8	178.7	47.7	78.6	0	0	0	112.1	S123 S127 P296 F299 H300 I324	S123-W125 PolarHBondContact O-N 3.07Å; S123-W125 VanDerWaalsContact O-N 3.15Å; S123-W125 PolarHBondContact OG-O 3.25Å; W125-S127 VanDerWaalsContact CD1-OG 3.29Å; W125-S127 PolarHBondContact O-N 3.27Å; W125-S127 PolarHBondContact O-OG 3.17Å; W125-P296 HydrophobicContact CD2-CB 4.21Å; W125-P296 HydrophobicContact CD2-CG 4.32Å; W125-P296 HydrophobicContact CE3-CB 3.91Å; W125-P296 HydrophobicContact CE3-CG 4.44Å; W125-P296 HydrophobicContact CH2-CB 3.57Å; W125-P296 HydrophobicContact CH2-CG 3.61Å; W125-P296 HydrophobicContact CZ2-CB 3.84Å; W125-P296 HydrophobicContact CZ2-CG 3.39Å; W125-P296 HydrophobicContact CZ3-CB 3.6Å; W125-P296 HydrophobicContact CZ3-CG 4.14Å; W125-F299 HydrophobicContact CB-CD1 3.87Å; W125-F299 HydrophobicContact CB-CE1 3.69Å; W125-F299 HydrophobicContact CB-CZ 4.18Å; W125-H300 AromaticContact CE3-NE2 3.8Å; W125-I324 HydrophobicContact CB-CD1 3.91Å; W125-I324 HydrophobicContact CD2-CD1 3.79Å; W125-I324 HydrophobicContact CG-CB 4.48Å; W125-I324 HydrophobicContact CG-CD1 3.37Å; W125-I324 HydrophobicContact CG-CG1 4.39Å
126	P	91	Very high	71.5	Confident	50 Å²	50	66 Å²	66	33%	0.325	38%	0.38	S	S	.	.			trans	-61.1	128.5	173.1	29.6	-36.7	0	0	0	109.4	F299 V322 Y323 I324	P126-F299 HydrophobicContact CG-CE2 4.07Å; P126-F299 HydrophobicContact CG-CZ 3.92Å; P126-V322 VanDerWaalsContact CG-O 3.23Å; P126-V322 WeakPolarHBondContact CG-O 3.42Å; P126-Y323 HydrophobicContact CB-CD1 3.67Å; P126-Y323 HydrophobicContact CB-CE1 3.89Å; P126-Y323 HydrophobicContact CG-CD1 4.35Å; P126-Y323 CarbonylContact O-C 3.58Å; P126-Y323 WeakPolarHBondContact O-CA 3.41Å; P126-I324 PolarHBondContact O-N 2.81Å
127	S	93.4	Very high	74.1	Confident	33 Å²	33	60.5 Å²	60.5	23%	0.231	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	151.2	-173.5	-58	0	0	0	0	111.2	S123 W125 I324	S123-S127 PolarHBondContact OG-OG 3.28Å; W125-S127 VanDerWaalsContact CD1-OG 3.29Å; W125-S127 PolarHBondContact O-N 3.27Å; W125-S127 PolarHBondContact O-OG 3.17Å; S127-I324 CarbonylContact C-O 3.59Å; S127-I324 WeakPolarHBondContact CA-O 3.43Å; S127-I324 WeakPolarHBondContact CB-O 3.49Å
128	I	93.4	Very high	76.8	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.01	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	138.3	173	-70.9	164.1	0	0	0	108.3	Q132 L133 W136 L283 V285 Y323 I324 R326	I128-Q132 HydrophobicContact CG2-CB 3.96Å; I128-L133 HydrophobicContact CG2-CB 4.18Å; I128-W136 HydrophobicContact CD1-CH2 4.14Å; I128-W136 HydrophobicContact CD1-CZ3 3.84Å; I128-W136 HydrophobicContact CG2-CZ3 4.42Å; I128-L283 HydrophobicContact CD1-CD2 4.05Å; I128-V285 HydrophobicContact CD1-CG1 4.49Å; I128-V285 HydrophobicContact CD1-CG2 3.6Å; I128-Y323 HydrophobicContact CD1-CD1 4.1Å; I128-Y323 HydrophobicContact CD1-CD2 3.87Å; I128-Y323 HydrophobicContact CD1-CG 3.53Å; I128-Y323 HydrophobicContact CG1-CD1 3.92Å; I128-Y323 HydrophobicContact CG1-CG 3.85Å; I128-I324 PolarHBondContact N-O 3.48Å; I128-R326 PolarHBondContact O-N 3.42Å
129	E	95.6	Very high	79.4	Confident	82 Å²	82	59.6 Å²	59.6	38%	0.383	33%	0.33	S	S	.	.			trans	-78.4	150.3	176.1	-62.5	-56.6	144	0	0	111.3	D131 Q132 L133 R326	E129-D131 VanDerWaalsContact C-N 3.27Å; E129-D131 PolarHBondContact O-N 3.16Å; E129-Q132 HydrophobicContact CB-CG 4.16Å; E129-Q132 WeakPolarHBondContact O-CB 3.41Å; E129-Q132 PolarHBondContact O-N 2.81Å; E129-Q132 VanDerWaalsContact O-N 3.1Å; E129-L133 PolarHBondContact O-N 2.9Å; E129-R326 VanDerWaalsContact OE1-CD 3.31Å; E129-R326 WeakPolarHBondContact OE1-CD 3.43Å; E129-R326 IonicContact OE1-CZ 2.71Å; E129-R326 IonicContact OE1-NE 2.85Å; E129-R326 PolarHBondContact OE1-NE 2.96Å; E129-R326 WeakPolarHBondContact OE2-CD 3.32Å; E129-R326 IonicContact OE2-NE 3.6Å
130	V	96.4	Very high	81.6	Confident	11 Å²	11	55.4 Å²	55.4	7%	0.067	31%	0.307	C	S	.	.	H	α-helix	trans	-53.3	-46.2	-178.5	169.5	0	0	0	0	111.7	Q132 L133 A134 L325 R326 A331 F332 N335 Y336	V130-Q132 VanDerWaalsContact C-N 3.31Å; V130-Q132 PolarHBondContact O-N 2.8Å; V130-L133 PolarHBondContact O-N 2.98Å; V130-A134 WeakPolarHBondContact O-CB 3.34Å; V130-A134 PolarHBondContact O-N 3Å; V130-L325 HydrophobicContact CG2-CD1 4.36Å; V130-R326 VanDerWaalsContact CG2-O 3.31Å; V130-R326 WeakPolarHBondContact CG2-O 3.4Å; V130-A331 HydrophobicContact CG2-CB 3.93Å; V130-F332 HydrophobicContact CG1-CB 4.28Å; V130-F332 HydrophobicContact CG1-CD2 3.89Å; V130-F332 HydrophobicContact CG1-CG 4.4Å; V130-N335 HydrophobicContact CG1-CB 4.45Å; V130-Y336 HydrophobicContact CG1-CD2 3.83Å; V130-Y336 HydrophobicContact CG1-CE2 3.86Å
131	D	95.7	Very high	83.6	Confident	84 Å²	84	54.2 Å²	54.2	45%	0.449	28%	0.281	S	S	.	.	H	α-helix	trans	-66.1	-33.9	-177.3	-56.6	-17	0	0	0	111.9	E129 A134 N135 Y336	E129-D131 VanDerWaalsContact C-N 3.27Å; E129-D131 PolarHBondContact O-N 3.16Å; D131-A134 PolarHBondContact O-N 3.21Å; D131-N135 WeakPolarHBondContact O-CB 3.38Å; D131-N135 PolarHBondContact O-N 2.81Å; D131-N135 PolarHBondContact O-ND2 2.96Å; D131-Y336 WeakPolarHBondContact OD1-CE2 3.14Å; D131-Y336 PolarHBondContact OD1-OH 2.98Å
132	Q	94.3	Very high	85.3	Confident	56 Å²	56	50.7 Å²	50.7	26%	0.262	27%	0.266	S	S	.	.	H	α-helix	trans	-65.5	-47.7	177.2	-67.9	176	-37.5	0	0	111.1	I128 E129 V130 A134 N135 W136 L207	I128-Q132 HydrophobicContact CG2-CB 3.96Å; E129-Q132 HydrophobicContact CB-CG 4.16Å; E129-Q132 WeakPolarHBondContact O-CB 3.41Å; E129-Q132 PolarHBondContact O-N 2.81Å; E129-Q132 VanDerWaalsContact O-N 3.1Å; V130-Q132 VanDerWaalsContact C-N 3.31Å; V130-Q132 PolarHBondContact O-N 2.8Å; Q132-A134 VanDerWaalsContact C-N 3.34Å; Q132-N135 PolarHBondContact O-N 3.09Å; Q132-W136 PolarHBondContact O-N 3.42Å; Q132-L207 HydrophobicContact CB-CD2 4.19Å; Q132-L207 HydrophobicContact CG-CD2 4.29Å
133	L	94.9	Very high	86	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.2	-41.2	177.3	-178.8	62	0	0	0	111.5	I128 E129 V130 W136 L137 L217 I219 I233 V285 L325 F332	I128-L133 HydrophobicContact CG2-CB 4.18Å; E129-L133 PolarHBondContact O-N 2.9Å; V130-L133 PolarHBondContact O-N 2.98Å; L133-W136 HydrophobicContact CD1-CE3 4.17Å; L133-W136 PolarHBondContact O-N 3.41Å; L133-L137 HydrophobicContact CG-CD1 4.1Å; L133-L137 WeakPolarHBondContact O-CG 3.31Å; L133-L137 PolarHBondContact O-N 3.41Å; L133-L217 HydrophobicContact CD1-CD2 4Å; L133-I219 HydrophobicContact CD1-CD1 3.94Å; L133-I219 HydrophobicContact CD1-CG1 4.27Å; L133-I219 HydrophobicContact CD2-CD1 4.3Å; L133-I219 HydrophobicContact CG-CD1 4.47Å; L133-I233 HydrophobicContact CD2-CD1 4.1Å; L133-V285 HydrophobicContact CD1-CG2 4.41Å; L133-V285 HydrophobicContact CD2-CG1 4.37Å; L133-L325 HydrophobicContact CB-CD1 4.08Å; L133-L325 HydrophobicContact CD2-CD1 3.71Å; L133-L325 HydrophobicContact CD2-CD2 3.83Å; L133-L325 HydrophobicContact CD2-CG 4.34Å; L133-F332 HydrophobicContact CB-CE2 4.44Å; L133-F332 HydrophobicContact CD2-CD2 4.31Å; L133-F332 HydrophobicContact CD2-CE2 4.08Å; L133-F332 HydrophobicContact CG-CE2 4.19Å
134	A	95.2	Very high	86.3	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.4	-44.2	178.4	0	0	0	0	0	112	V130 D131 Q132 W136 L137 I138 F332 Y336 L339	V130-A134 WeakPolarHBondContact O-CB 3.34Å; V130-A134 PolarHBondContact O-N 3Å; D131-A134 PolarHBondContact O-N 3.21Å; Q132-A134 VanDerWaalsContact C-N 3.34Å; A134-W136 PolarHBondContact O-N 2.76Å; A134-L137 PolarHBondContact O-N 3.2Å; A134-I138 VanDerWaalsContact O-CG1 3.28Å; A134-I138 WeakPolarHBondContact O-CG1 3.37Å; A134-I138 PolarHBondContact O-N 3.01Å; A134-F332 HydrophobicContact CB-CE2 4.18Å; A134-Y336 HydrophobicContact CB-CD1 3.72Å; A134-Y336 HydrophobicContact CB-CD2 3.57Å; A134-Y336 HydrophobicContact CB-CE1 3.61Å; A134-Y336 HydrophobicContact CB-CE2 3.47Å; A134-Y336 VanDerWaalsContact CB-CE2 3.47Å; A134-Y336 HydrophobicContact CB-CG 3.7Å; A134-Y336 VanDerWaalsContact CB-CZ 3.48Å; A134-L339 HydrophobicContact CB-CD1 3.96Å
135	N	92.6	Very high	85.5	Confident	83 Å²	83	56.6 Å²	56.6	44%	0.444	29%	0.288	S	S	.	.	H	α-helix	trans	-59.7	-45.8	176.6	-71.5	-21	0	0	0	111.6	D131 Q132 L137 I138 E139	D131-N135 WeakPolarHBondContact O-CB 3.38Å; D131-N135 PolarHBondContact O-N 2.81Å; D131-N135 PolarHBondContact O-ND2 2.96Å; Q132-N135 PolarHBondContact O-N 3.09Å; N135-L137 VanDerWaalsContact C-N 3.34Å; N135-L137 PolarHBondContact O-N 3.18Å; N135-I138 PolarHBondContact O-N 3.28Å; N135-E139 WeakPolarHBondContact O-CG 3.43Å; N135-E139 PolarHBondContact O-N 3.48Å
136	W	90.6	Very high	83.9	Confident	41 Å²	41	62.9 Å²	62.9	16%	0.155	32%	0.316	C	S	.	.	H	α-helix	trans	-60.3	-41.6	175.3	-66.4	-24.7	0	0	0	113	I128 Q132 L133 A134 E139 M140 L207 L210 L217 L283	I128-W136 HydrophobicContact CD1-CH2 4.14Å; I128-W136 HydrophobicContact CD1-CZ3 3.84Å; I128-W136 HydrophobicContact CG2-CZ3 4.42Å; Q132-W136 PolarHBondContact O-N 3.42Å; L133-W136 HydrophobicContact CD1-CE3 4.17Å; L133-W136 PolarHBondContact O-N 3.41Å; A134-W136 PolarHBondContact O-N 2.76Å; W136-E139 PolarHBondContact O-N 3.44Å; W136-M140 WeakPolarHBondContact O-CB 3.17Å; W136-M140 VanDerWaalsContact O-CG 3.27Å; W136-M140 WeakPolarHBondContact O-CG 3.17Å; W136-M140 PolarHBondContact O-N 3.37Å; W136-L207 HydrophobicContact CH2-CD2 3.34Å; W136-L207 HydrophobicContact CH2-CG 4.07Å; W136-L207 HydrophobicContact CZ2-CD2 3.14Å; W136-L207 HydrophobicContact CZ2-CG 3.64Å; W136-L207 HydrophobicContact CZ3-CD2 4.41Å; W136-L210 HydrophobicContact CH2-CD2 3.96Å; W136-L210 HydrophobicContact CZ2-CD2 4Å; W136-L217 HydrophobicContact CB-CD2 4.29Å; W136-L217 HydrophobicContact CE3-CD2 4.1Å; W136-L283 HydrophobicContact CH2-CD1 4.03Å; W136-L283 HydrophobicContact CH2-CD2 4.49Å; W136-L283 HydrophobicContact CZ3-CD1 4.4Å; W136-L283 HydrophobicContact CZ3-CD2 4.07Å
137	L	91.8	Very high	81.2	Confident	2 Å²	2	68 Å²	68	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-64.3	-41.7	177.2	-75.5	167	0	0	0	112.2	L133 A134 N135 M140 K141 I219 I233 F332 L339	L133-L137 HydrophobicContact CG-CD1 4.1Å; L133-L137 WeakPolarHBondContact O-CG 3.31Å; L133-L137 PolarHBondContact O-N 3.41Å; A134-L137 PolarHBondContact O-N 3.2Å; N135-L137 VanDerWaalsContact C-N 3.34Å; N135-L137 PolarHBondContact O-N 3.18Å; L137-M140 HydrophobicContact CD2-CE 3.73Å; L137-M140 HydrophobicContact CG-CE 4.27Å; L137-M140 PolarHBondContact O-N 3.4Å; L137-K141 WeakPolarHBondContact O-CB 3.46Å; L137-K141 WeakPolarHBondContact O-CG 3.33Å; L137-K141 PolarHBondContact O-N 2.77Å; L137-I219 HydrophobicContact CD1-CD1 4.13Å; L137-I219 HydrophobicContact CD2-CD1 3.88Å; L137-I219 HydrophobicContact CG-CD1 4.34Å; L137-I233 HydrophobicContact CD1-CG2 3.56Å; L137-F332 HydrophobicContact CD1-CE2 4.15Å; L137-F332 HydrophobicContact CD1-CZ 3.68Å; L137-L339 HydrophobicContact CB-CD1 4.19Å; L137-L339 HydrophobicContact CD1-CD1 4.46Å
138	I	90.5	Very high	78.1	Confident	71 Å²	71	71.3 Å²	71.3	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-63.9	-44.9	177	-68.9	163.4	0	0	0	110.3	A134 N135 K141 S142 L339	A134-I138 VanDerWaalsContact O-CG1 3.28Å; A134-I138 WeakPolarHBondContact O-CG1 3.37Å; A134-I138 PolarHBondContact O-N 3.01Å; N135-I138 PolarHBondContact O-N 3.28Å; I138-K141 PolarHBondContact O-N 3.3Å; I138-S142 WeakPolarHBondContact O-CB 3.24Å; I138-S142 PolarHBondContact O-N 3.42Å; I138-L339 HydrophobicContact CD1-CD1 4.34Å; I138-L339 HydrophobicContact CG1-CD1 4.03Å; I138-L339 HydrophobicContact CG1-CD2 4.18Å
139	E	85.8	Confident	75.1	Confident	107 Å²	107	81.2 Å²	81.2	50%	0.5	39%	0.393	S	S	.	.	H	α-helix	trans	-60.7	-48.9	176.3	-75	175.9	-176.8	0	0	111.6	N135 W136 K141 S142 V143	N135-E139 WeakPolarHBondContact O-CG 3.43Å; N135-E139 PolarHBondContact O-N 3.48Å; W136-E139 PolarHBondContact O-N 3.44Å; E139-K141 PolarHBondContact O-N 3.48Å; E139-S142 WeakPolarHBondContact O-CB 3.49Å; E139-S142 PolarHBondContact O-N 3.35Å; E139-S142 VanDerWaalsContact O-N 3.08Å; E139-S142 PolarHBondContact O-OG 2.91Å; E139-V143 WeakPolarHBondContact O-CG2 3.49Å; E139-V143 PolarHBondContact O-N 3.43Å
140	M	78.9	Confident	71.8	Confident	71 Å²	71	84.5 Å²	84.5	35%	0.35	41%	0.411	S	S	.	.	H	α-helix	trans	-60.9	-43.1	177.8	-72.8	-173.3	-62.1	0	0	112.2	W136 L137 S142 V143 I144 L217	W136-M140 WeakPolarHBondContact O-CB 3.17Å; W136-M140 VanDerWaalsContact O-CG 3.27Å; W136-M140 WeakPolarHBondContact O-CG 3.17Å; W136-M140 PolarHBondContact O-N 3.37Å; L137-M140 HydrophobicContact CD2-CE 3.73Å; L137-M140 HydrophobicContact CG-CE 4.27Å; L137-M140 PolarHBondContact O-N 3.4Å; M140-S142 VanDerWaalsContact C-N 3.32Å; M140-S142 PolarHBondContact O-N 3.13Å; M140-V143 PolarHBondContact O-N 3.44Å; M140-I144 WeakPolarHBondContact O-CG1 3.33Å; M140-I144 PolarHBondContact O-N 3.25Å; M140-I144 VanDerWaalsContact O-N 3.11Å; M140-L217 HydrophobicContact CE-CD2 3.54Å; M140-L217 HydrophobicContact CE-CG 4.38Å; M140-L217 HydrophobicContact SD-CB 4.35Å; M140-L217 HydrophobicContact SD-CD2 4.32Å
141	K	75.4	Confident	68.5	Low	47 Å²	47	91.6 Å²	91.6	20%	0.204	44%	0.441	C	S	.	.	H	α-helix	trans	-59	-45.2	172.8	-78.9	-172.9	175.7	-174	0	110.5	L137 I138 E139 V143 I144 F145 Y234 L339	L137-K141 WeakPolarHBondContact O-CB 3.46Å; L137-K141 WeakPolarHBondContact O-CG 3.33Å; L137-K141 PolarHBondContact O-N 2.77Å; I138-K141 PolarHBondContact O-N 3.3Å; E139-K141 PolarHBondContact O-N 3.48Å; K141-V143 VanDerWaalsContact C-N 3.31Å; K141-V143 PolarHBondContact O-N 3.22Å; K141-I144 PolarHBondContact O-N 2.83Å; K141-F145 WeakPolarHBondContact O-CD2 3.35Å; K141-F145 PolarHBondContact O-N 3.38Å; K141-Y234 HydrophobicContact CG-CE1 4.29Å; K141-L339 HydrophobicContact CD-CD2 4.22Å
142	S	76.9	Confident	65.3	Low	45 Å²	45	93.2 Å²	93.2	32%	0.315	46%	0.457	S	S	.	.	H	α-helix	trans	-62.4	-35.9	179.8	84.4	0	0	0	0	113	I138 E139 M140 F145 K146	I138-S142 WeakPolarHBondContact O-CB 3.24Å; I138-S142 PolarHBondContact O-N 3.42Å; E139-S142 WeakPolarHBondContact O-CB 3.49Å; E139-S142 PolarHBondContact O-N 3.35Å; E139-S142 VanDerWaalsContact O-N 3.08Å; E139-S142 PolarHBondContact O-OG 2.91Å; M140-S142 VanDerWaalsContact C-N 3.32Å; M140-S142 PolarHBondContact O-N 3.13Å; S142-F145 PolarHBondContact O-N 3.36Å; S142-K146 WeakPolarHBondContact O-CB 3Å; S142-K146 VanDerWaalsContact O-CG 3.29Å; S142-K146 WeakPolarHBondContact O-CG 3.44Å; S142-K146 PolarHBondContact O-N 2.81Å
143	V	67.1	Low	62.2	Low	86 Å²	86	100 Å²	100	52%	0.521	49%	0.485	S	S	.	.	H	α-helix	trans	-68.9	-38.8	176.8	173.4	0	0	0	0	111.1	E139 M140 K141 K146 K147	E139-V143 WeakPolarHBondContact O-CG2 3.49Å; E139-V143 PolarHBondContact O-N 3.43Å; M140-V143 PolarHBondContact O-N 3.44Å; K141-V143 VanDerWaalsContact C-N 3.31Å; K141-V143 PolarHBondContact O-N 3.22Å; V143-K146 PolarHBondContact O-N 2.83Å; V143-K147 PolarHBondContact O-N 3.25Å
144	I	59.1	Low	59.1	Low	106 Å²	106	105.3 Å²	105.3	54%	0.544	52%	0.522	S	S	.	.	H	α-helix	trans	-64.7	-42.9	175.9	-65.6	165.5	0	0	0	110.3	M140 K141 K147	M140-I144 WeakPolarHBondContact O-CG1 3.33Å; M140-I144 PolarHBondContact O-N 3.25Å; M140-I144 VanDerWaalsContact O-N 3.11Å; K141-I144 PolarHBondContact O-N 2.83Å; I144-K147 PolarHBondContact O-N 3.2Å
145	F	56.3	Low	55.8	Low	174 Å²	174	113.4 Å²	113.4	76%	0.763	56%	0.564	S	S	*	*	H	α-helix	trans	-73.4	-24	177.9	-75.8	-70	0	0	0	114.3	K141 S142	K141-F145 WeakPolarHBondContact O-CD2 3.35Å; K141-F145 PolarHBondContact O-N 3.38Å; S142-F145 PolarHBondContact O-N 3.36Å
146	K	47.8	Very low	52.7	Low	169 Å²	169	115.2 Å²	115.2	74%	0.735	58%	0.581	S	S	*	*	H	α-helix	trans	-83.7	-11.3	176.5	-77	177.6	-178.8	175.7	0	114.3	S142 V143 P148	S142-K146 WeakPolarHBondContact O-CB 3Å; S142-K146 VanDerWaalsContact O-CG 3.29Å; S142-K146 WeakPolarHBondContact O-CG 3.44Å; S142-K146 PolarHBondContact O-N 2.81Å; V143-K146 PolarHBondContact O-N 2.83Å; K146-P148 WeakPolarHBondContact O-CD 3.34Å
147	K	33	Very low	49.6	Very low	159 Å²	159	118.8 Å²	118.8	69%	0.691	61%	0.608	S	S	*	*	S	Bend	trans	-84	104.9	168.9	-90.6	-177.1	176.5	176	0	109	V143 I144 Y149	V143-K147 PolarHBondContact O-N 3.25Å; I144-K147 PolarHBondContact O-N 3.2Å; K147-Y149 PolarHBondContact O-N 3.33Å
148	P	29.8	Very low	46.6	Very low	102 Å²	102	124.2 Å²	124.2	66%	0.662	65%	0.646	S	S	*	*			trans	-63.1	130.5	167.1	27.9	-31.4	0	0	0	107.1	K146 I150	K146-P148 WeakPolarHBondContact O-CD 3.34Å; P148-I150 VanDerWaalsContact C-N 3.27Å; P148-I150 PolarHBondContact O-N 3.49Å
149	Y	28.8	Very low	43.8	Very low	210 Å²	210	125.2 Å²	125.2	82%	0.824	66%	0.66	S	S	*	*			trans	-56.4	95.5	164.5	-81.3	-95.4	0	0	0	108.1	K147 F151	K147-Y149 PolarHBondContact O-N 3.33Å; Y149-F151 PolarHBondContact O-N 3.44Å
150	I	27.1	Very low	41.1	Very low	151 Å²	151	127.8 Å²	127.8	77%	0.774	67%	0.672	S	S	*	*			trans	-76.3	84.4	162.8	-59.1	174.5	0	0	0	105.1	P148	P148-I150 VanDerWaalsContact C-N 3.27Å; P148-I150 PolarHBondContact O-N 3.49Å
151	F	27.2	Very low	38.8	Very low	159 Å²	159	133 Å²	133	70%	0.697	69%	0.693	S	S	*	*			trans	-57.6	134.1	153.8	-95.5	-89.2	0	0	0	107.1	Y149 K153	Y149-F151 PolarHBondContact O-N 3.44Å; F151-K153 VanDerWaalsContact C-N 3.3Å; F151-K153 PolarHBondContact O-N 3.36Å
152	P	27.7	Very low	37	Very low	119 Å²	119	135.9 Å²	135.9	77%	0.773	72%	0.716	S	S	*	*			trans	-63.5	100	169.6	26.2	-29.1	0	0	0	106.8	S154	P152-S154 PolarHBondContact O-N 2.76Å
153	K	30.7	Very low	35	Very low	197 Å²	197	139 Å²	139	86%	0.857	74%	0.738	S	S	*	*			trans	-62.2	119.9	173.6	-78	-178.5	178.6	174.8	0	107.1	F151 I155	F151-K153 VanDerWaalsContact C-N 3.3Å; F151-K153 PolarHBondContact O-N 3.36Å; K153-I155 PolarHBondContact O-N 3.49Å
154	S	29.5	Very low	33.5	Very low	112 Å²	112	140.1 Å²	140.1	78%	0.783	75%	0.75	S	S	*	*			trans	-41	134.5	164.4	53	0	0	0	0	111	P152 C156	P152-S154 PolarHBondContact O-N 2.76Å; S154-C156 PolarHBondContact O-N 3.38Å; S154-C156 VanDerWaalsContact O-N 3.16Å
155	I	26.1	Very low	32.4	Very low	171 Å²	171	141.6 Å²	141.6	88%	0.877	76%	0.763	S	S	*	*			trans	-42.5	114.1	163.2	-63.4	158.1	0	0	0	109.4	K153	K153-I155 PolarHBondContact O-N 3.49Å
156	C	25.6	Very low	31.6	Very low	120 Å²	120	138.6 Å²	138.6	81%	0.811	76%	0.764	S	S	*	*			trans	-166.9	146.9	136.2	-136.3	0	0	0	0	111.9	S154	S154-C156 PolarHBondContact O-N 3.38Å; S154-C156 VanDerWaalsContact O-N 3.16Å
157	T	26.3	Very low	31.6	Very low	117 Å²	117	136.2 Å²	136.2	72%	0.718	77%	0.766	S	S	*	*			trans	-90.9	161.8	-156.9	35.9	0	0	0	0	115.1
158	S	28.6	Very low	31.7	Very low	115 Å²	115	133.8 Å²	133.8	80%	0.804	77%	0.769	S	S	*	*			trans	72.4	140	157.7	75.4	0	0	0	0	116.1
159	S	31.3	Very low	32	Very low	93 Å²	93	134.3 Å²	134.3	65%	0.65	78%	0.775	S	S	*	*			cis	-172.2	144.2	14.2	39.9	0	0	0	0	108.9
160	Q	30.7	Very low	32.4	Very low	161 Å²	161	129 Å²	129	75%	0.752	77%	0.769	S	S	*	*			trans	57.3	135.7	138.9	-66.8	178.1	-9.5	0	0	119.4
161	F	30.4	Very low	32.8	Very low	180 Å²	180	127.1 Å²	127.1	79%	0.789	77%	0.768	S	S	*	*			cis	-170.5	178.9	10.8	-102.2	-50.7	0	0	0	108.4
162	P	37	Very low	33	Very low	108 Å²	108	124.3 Å²	124.3	70%	0.701	77%	0.769	S	S	*	*			trans	-125.6	173.9	-150.6	40.2	-21.5	0	0	0	116.5
163	S	34.8	Very low	33.6	Very low	111 Å²	111	123.7 Å²	123.7	78%	0.776	77%	0.767	S	S	*	*			trans	170.4	115.8	148.1	30.9	0	0	0	0	110.6
164	S	35.1	Very low	33.6	Very low	109 Å²	109	123.3 Å²	123.3	76%	0.762	77%	0.769	S	S	*	*				64	134.4	96.7	71.6	0	0	0	0	113.9
165	V	36.1	Very low	33.3	Very low	137 Å²	137	123.6 Å²	123.6	83%	0.83	77%	0.769	S	S	*	*				-164.6	163.3	53.2	175.4	0	0	0	0	111.1
166	S	40.9	Very low	33.5	Very low	111 Å²	111	123.4 Å²	123.4	78%	0.776	77%	0.768	S	S	*	*			trans	-85.3	-175.7	-159.3	-28.4	0	0	0	0	119.2
167	P	45.9	Very low	33.6	Very low	118 Å²	118	126.1 Å²	126.1	77%	0.766	77%	0.769	S	S	*	*			trans	-116.3	-171.5	-163.3	44.9	-34	0	0	0	116.1
168	S	36.6	Very low	33.9	Very low	109 Å²	109	127.2 Å²	127.2	76%	0.762	78%	0.776	S	S	*	*			trans	179.4	127	152.9	36.8	0	0	0	0	112.1
169	S	36.6	Very low	33.9	Very low	112 Å²	112	128.6 Å²	128.6	78%	0.783	77%	0.774	S	S	*	*				82.5	149	99.3	83.9	0	0	0	0	113.9
170	S	35.6	Very low	33.8	Very low	100 Å²	100	132 Å²	132	70%	0.699	78%	0.78	S	S	*	*			cis	-175.7	166.6	16.4	41.8	0	0	0	0	112.2
171	S	35.3	Very low	33.5	Very low	110 Å²	110	131.9 Å²	131.9	77%	0.769	78%	0.779	S	S	*	*			trans	75.1	147.6	147.6	74.5	0	0	0	0	120.7
172	S	33.4	Very low	33.5	Very low	100 Å²	100	131.5 Å²	131.5	70%	0.699	78%	0.78	S	S	*	*			cis	179.6	154.1	-7.8	44.9	0	0	0	0	111
173	S	39.2	Very low	33.2	Very low	106 Å²	106	134.8 Å²	134.8	74%	0.741	79%	0.79	S	S	*	*			trans	59.1	149	148.7	54.8	0	0	0	0	120.4
174	E	30.8	Very low	32.7	Very low	190 Å²	190	139.6 Å²	139.6	89%	0.888	80%	0.797	S	S	*	*			cis	-171	166.8	31.4	-141.9	163.3	-161.4	0	0	110.3
175	C	24	Very low	32.5	Very low	117 Å²	117	139.8 Å²	139.8	79%	0.791	80%	0.799	S	S	*	*			trans	-124.2	151.1	-170.8	32.1	0	0	0	0	113.2
176	I	30.5	Very low	32.1	Very low	167 Å²	167	142.6 Å²	142.6	86%	0.856	80%	0.8	S	S	*	*			trans	-149.5	129.2	164.8	-59.4	-175.9	0	0	0	111.3
177	E	26.3	Very low	31.4	Very low	177 Å²	177	143.9 Å²	143.9	83%	0.827	81%	0.807	S	S	*	*			trans	-96	153	165	-77.8	178.1	151.9	0	0	111.4
178	T	32.2	Very low	30.5	Very low	141 Å²	141	142.8 Å²	142.8	87%	0.865	80%	0.799	S	S	*	*			trans	-157.2	153.3	149.7	34.3	0	0	0	0	112.3
179	N	29.3	Very low	30.3	Very low	143 Å²	143	144.7 Å²	144.7	77%	0.765	80%	0.8	S	S	*	*			trans	-98.4	158.7	-155.8	-65.8	-46.4	0	0	0	117.3
180	E	28.1	Very low	29.9	Very low	165 Å²	165	151 Å²	151	77%	0.771	81%	0.806	S	S	*	*			trans	52.1	138.5	134.3	-77.7	-172.1	149.6	0	0	126.4
181	E	25.4	Very low	29.7	Very low	158 Å²	158	151.6 Å²	151.6	74%	0.738	81%	0.811	S	S	*	*			trans	78.2	113.4	141.1	-79.9	-168.8	155.4	0	0	121.3
182	Q	29.9	Very low	29.3	Very low	173 Å²	173	153.6 Å²	153.6	81%	0.808	81%	0.808	S	S	*	*				156	120.7	107.7	-78.4	-154.4	29.7	0	0	111.2
183	L	31.6	Very low	29	Very low	176 Å²	176	154.4 Å²	154.4	92%	0.921	81%	0.813	S	S	*	*			trans	-167.6	108.2	136.7	-127.6	78.9	0	0	0	111.3
184	K	24.4	Very low	28.3	Very low	213 Å²	213	159.7 Å²	159.7	93%	0.926	82%	0.816	S	S	*	*			trans	-104.6	128.9	167	-89.4	175.7	176.6	168.5	0	109.2
185	S	30.7	Very low	28.4	Very low	113 Å²	113	157.9 Å²	157.9	79%	0.79	81%	0.812	S	S	*	*			trans	-152	105.2	152.9	63	0	0	0	0	107.1
186	K	26.7	Very low	28.7	Very low	196 Å²	196	157.5 Å²	157.5	85%	0.852	81%	0.808	S	S	*	*				73.1	95.8	75.8	-154	176.9	-167.1	180	0	113.1
187	C	27.5	Very low	28.6	Very low	137 Å²	137	157.2 Å²	157.2	93%	0.926	81%	0.808	S	S	*	*			trans	-145.4	128.8	148.8	-137.3	0	0	0	0	110.1
188	T	26.7	Very low	29	Very low	96 Å²	96	155 Å²	155	59%	0.589	80%	0.801	S	S	*	*			trans	-110	135.6	-171.4	46.1	0	0	0	0	110.1
189	N	31.4	Very low	28.9	Very low	148 Å²	148	159.4 Å²	159.4	79%	0.791	80%	0.802	S	S	*	*				149.4	133.1	127.5	-74.5	-31.4	0	0	0	114.8
190	R	28	Very low	29	Very low	244 Å²	244	159.2 Å²	159.2	92%	0.921	80%	0.795	S	S	*	*			trans	66.2	107	151.1	-78.4	178.9	165.6	-172.9	-4.9	119
191	S	32.4	Very low	29.2	Very low	114 Å²	114	161.1 Å²	161.1	80%	0.797	80%	0.8	S	S	*	*				178.4	127	80.7	46	0	0	0	0	109.9	C193	S191-C193 PolarHBondContact O-N 3.02Å
192	E	27.4	Very low	29.6	Very low	152 Å²	152	158.1 Å²	158.1	71%	0.71	79%	0.786	S	S	*	*			trans	-65	120.2	177.3	-83.6	175.4	112.4	0	0	111.8	R194	E192-R194 IonicContact OE1-CZ 3.39Å; E192-R194 IonicContact OE1-NE 2.69Å; E192-R194 PolarHBondContact OE1-NE 3.04Å; E192-R194 IonicContact OE1-NH2 3.3Å; E192-R194 PolarHBondContact OE1-NH2 2.79Å
193	C	25.7	Very low	29.9	Very low	117 Å²	117	157.7 Å²	157.7	79%	0.791	78%	0.784	S	S	*	*			trans	-123.7	104.3	152.1	-71.7	0	0	0	0	107.2	S191 L195	S191-C193 PolarHBondContact O-N 3.02Å; C193-L195 PolarHBondContact O-N 3Å
194	R	25.1	Very low	30	Very low	217 Å²	217	156 Å²	156	82%	0.819	78%	0.775	S	S	*	*			trans	-79.2	95.4	177	-65.5	-175.1	-167	-158.4	3.5	109.2	E192	E192-R194 IonicContact OE1-CZ 3.39Å; E192-R194 IonicContact OE1-NE 2.69Å; E192-R194 PolarHBondContact OE1-NE 3.04Å; E192-R194 IonicContact OE1-NH2 3.3Å; E192-R194 PolarHBondContact OE1-NH2 2.79Å
195	L	33.2	Very low	30.9	Very low	152 Å²	152	149.1 Å²	149.1	80%	0.796	75%	0.747	S	S	*	*			trans	-103	141.1	159.4	-76.7	165.8	0	0	0	108.6	C193 N197	C193-L195 PolarHBondContact O-N 3Å; L195-N197 PolarHBondContact O-N 3.25Å
196	P	31.1	Very low	31	Very low	109 Å²	109	149.6 Å²	149.6	71%	0.708	74%	0.741	S	S	*	*			trans	-62.4	128.1	-173.2	24.5	-31.4	0	0	0	110.3	L198	P196-L198 VanDerWaalsContact C-N 3.27Å; P196-L198 PolarHBondContact O-N 3.2Å
197	N	26.6	Very low	31.9	Very low	161 Å²	161	141 Å²	141	86%	0.861	70%	0.704	S	S	*	*			trans	-60	83.3	173.3	-91.7	-51	0	0	0	110.6	L195 R199	L195-N197 PolarHBondContact O-N 3.25Å; N197-R199 VanDerWaalsContact C-N 3.33Å; N197-R199 PolarHBondContact O-N 3.22Å; N197-R199 VanDerWaalsContact O-N 3.1Å
198	L	35.5	Very low	32.5	Very low	129 Å²	129	137.7 Å²	137.7	68%	0.675	68%	0.682	S	S	*	*			trans	-75.3	92	160	-76.8	168.4	0	0	0	107.1	P196 F200	P196-L198 VanDerWaalsContact C-N 3.27Å; P196-L198 PolarHBondContact O-N 3.2Å; L198-F200 VanDerWaalsContact C-N 3.26Å; L198-F200 HydrophobicContact CB-CD2 4.3Å; L198-F200 HydrophobicContact CB-CE2 4.01Å; L198-F200 WeakPolarHBondContact O-CD2 3.26Å; L198-F200 PolarHBondContact O-N 3.03Å
199	R	29.4	Very low	33.3	Very low	234 Å²	234	141.6 Å²	141.6	88%	0.883	69%	0.691	S	S	*	*			trans	-63.4	88.3	169.1	-80.5	-177.5	173.6	174.8	-2.2	108.6	N197 K201	N197-R199 VanDerWaalsContact C-N 3.33Å; N197-R199 PolarHBondContact O-N 3.22Å; N197-R199 VanDerWaalsContact O-N 3.1Å; R199-K201 PolarHBondContact O-N 3.06Å
200	F	31.9	Very low	34	Very low	140 Å²	140	135.8 Å²	135.8	61%	0.614	66%	0.66	S	S	*	*			trans	-64.9	103.4	164.4	-78.9	-83.3	0	0	0	107.8	L198 H202	L198-F200 VanDerWaalsContact C-N 3.26Å; L198-F200 HydrophobicContact CB-CD2 4.3Å; L198-F200 HydrophobicContact CB-CE2 4.01Å; L198-F200 WeakPolarHBondContact O-CD2 3.26Å; L198-F200 PolarHBondContact O-N 3.03Å; F200-H202 PolarHBondContact O-N 2.87Å; F200-H202 VanDerWaalsContact O-N 3.11Å
201	K	33.1	Very low	34.7	Very low	204 Å²	204	130.6 Å²	130.6	89%	0.887	65%	0.646	S	S	*	*			trans	-75.7	104	179.2	-149.2	177.7	-173.9	-177.1	0	107.1	R199 Q203	R199-K201 PolarHBondContact O-N 3.06Å; K201-Q203 PolarHBondContact O-N 3.37Å
202	H	34.3	Very low	35.1	Very low	95 Å²	95	133.8 Å²	133.8	44%	0.44	65%	0.651	S	S	.	*			trans	-53.5	109.1	171.3	-89	-110.6	0	0	0	109.7	H122 F200 I204	H122-H202 WeakPolarHBondContact CB-NE2 3.44Å; H122-H202 AromaticContact CD2-CD2 3.7Å; H122-H202 AromaticContact CD2-CE1 3.72Å; H122-H202 AromaticContact CD2-NE2 3.02Å; H122-H202 PolarHBondContact CD2-NE2 2.89Å; H122-H202 AromaticContact CE1-CD2 3.48Å; H122-H202 PolarHBondContact CE1-CD2 2.72Å; H122-H202 VanDerWaalsContact CE1-CD2 3.48Å; H122-H202 AromaticContact CE1-CE1 3.27Å; H122-H202 PolarHBondContact CE1-CE1 3.43Å; H122-H202 AromaticContact CE1-CG 3.86Å; H122-H202 AromaticContact CE1-ND1 3.67Å; H122-H202 AromaticContact CE1-NE2 3.17Å; H122-H202 PolarHBondContact CE1-NE2 3.03Å; H122-H202 AromaticContact CG-CD2 3.88Å; H122-H202 AromaticContact CG-CE1 3.09Å; H122-H202 AromaticContact CG-NE2 2.85Å; H122-H202 AromaticContact ND1-CD2 3.8Å; H122-H202 AromaticContact ND1-CE1 2.82Å; H122-H202 PolarHBondContact ND1-CE1 3.5Å; H122-H202 AromaticContact ND1-ND1 3.57Å; H122-H202 AromaticContact ND1-NE2 3.01Å; H122-H202 PolarHBondContact ND1-NE2 2.69Å; H122-H202 AromaticContact NE2-CD2 3.45Å; H122-H202 PolarHBondContact NE2-CD2 3.05Å; H122-H202 AromaticContact NE2-CE1 3.82Å; H122-H202 AromaticContact NE2-NE2 3.23Å; H122-H202 PolarHBondContact NE2-NE2 3.12Å; F200-H202 PolarHBondContact O-N 2.87Å; F200-H202 VanDerWaalsContact O-N 3.11Å; H202-I204 PolarHBondContact O-N 2.79Å; H202-I204 VanDerWaalsContact O-N 3.08Å
203	Q	34.9	Very low	36	Very low	165 Å²	165	131.3 Å²	131.3	77%	0.771	64%	0.641	S	S	*	*			trans	-83.1	79.4	162.6	-154.5	160.3	31.6	0	0	106.7	K201 I205	K201-Q203 PolarHBondContact O-N 3.37Å; Q203-I205 HydrophobicContact CG-CG1 4.35Å; Q203-I205 PolarHBondContact O-N 2.56Å
204	I	34.4	Very low	37.5	Very low	141 Å²	141	127.5 Å²	127.5	72%	0.723	61%	0.612	S	S	*	*			trans	-57	102	151.2	-62	172.6	0	0	0	103.4	H202 N206	H202-I204 PolarHBondContact O-N 2.79Å; H202-I204 VanDerWaalsContact O-N 3.08Å; I204-N206 PolarHBondContact O-N 2.75Å
205	I	42.4	Very low	39.3	Very low	68 Å²	68	124.5 Å²	124.5	35%	0.349	61%	0.607	S	S	.	*			trans	-65.2	108.6	175.6	-60.5	174.2	0	0	0	104.4	Q203 L207 Y323	Q203-I205 HydrophobicContact CG-CG1 4.35Å; Q203-I205 PolarHBondContact O-N 2.56Å; I205-L207 VanDerWaalsContact C-N 3.25Å; I205-L207 HydrophobicContact CB-CD1 3.98Å; I205-L207 HydrophobicContact CG2-CD1 3.7Å; I205-L207 PolarHBondContact O-N 3Å; I205-Y323 HydrophobicContact CD1-CE1 4.19Å
206	N	33.6	Very low	41.9	Very low	122 Å²	122	122.6 Å²	122.6	65%	0.652	59%	0.594	S	S	*	*			trans	-65.4	95.8	172.8	-159.3	-23.3	0	0	0	106.4	I204 S208 K209	I204-N206 PolarHBondContact O-N 2.75Å; N206-S208 PolarHBondContact O-N 3.33Å; N206-S208 VanDerWaalsContact O-N 3.16Å; N206-S208 PolarHBondContact OD1-OG 3.1Å; N206-S208 VanDerWaalsContact OD1-OG 3.07Å; N206-K209 PolarHBondContact O-N 3.38Å
207	L	44.6	Very low	44.8	Very low	17 Å²	17	119.4 Å²	119.4	9%	0.089	57%	0.571	C	S	.	*	G	3₁₀ helix	trans	-71.8	-7	-164	-128.4	62.1	0	0	0	113.1	Q132 W136 I205 K209 L210	Q132-L207 HydrophobicContact CB-CD2 4.19Å; Q132-L207 HydrophobicContact CG-CD2 4.29Å; W136-L207 HydrophobicContact CH2-CD2 3.34Å; W136-L207 HydrophobicContact CH2-CG 4.07Å; W136-L207 HydrophobicContact CZ2-CD2 3.14Å; W136-L207 HydrophobicContact CZ2-CG 3.64Å; W136-L207 HydrophobicContact CZ3-CD2 4.41Å; I205-L207 VanDerWaalsContact C-N 3.25Å; I205-L207 HydrophobicContact CB-CD1 3.98Å; I205-L207 HydrophobicContact CG2-CD1 3.7Å; I205-L207 PolarHBondContact O-N 3Å; L207-K209 PolarHBondContact O-N 2.86Å; L207-K209 VanDerWaalsContact O-N 3.15Å; L207-L210 HydrophobicContact CD1-CB 4.3Å; L207-L210 HydrophobicContact CD1-CD2 3.92Å; L207-L210 HydrophobicContact CD1-CG 4.5Å; L207-L210 HydrophobicContact CG-CB 4Å; L207-L210 HydrophobicContact CG-CD2 4.01Å; L207-L210 WeakPolarHBondContact O-CA 3.48Å; L207-L210 WeakPolarHBondContact O-CB 3.42Å; L207-L210 PolarHBondContact O-N 3.49Å
208	S	41.4	Very low	48	Very low	66 Å²	66	113 Å²	113	46%	0.462	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-56.5	-24.2	167.7	53	0	0	0	0	112.4	N206 E211	N206-S208 PolarHBondContact O-N 3.33Å; N206-S208 VanDerWaalsContact O-N 3.16Å; N206-S208 PolarHBondContact OD1-OG 3.1Å; N206-S208 VanDerWaalsContact OD1-OG 3.07Å; S208-E211 WeakPolarHBondContact O-CB 3.44Å; S208-E211 WeakPolarHBondContact O-CG 3.26Å
209	K	42.9	Very low	51	Low	179 Å²	179	107 Å²	107	78%	0.778	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-85.2	-11.4	173.8	-144.5	169.8	-171.5	176.7	0	114	N206 L207 E211	N206-K209 PolarHBondContact O-N 3.38Å; L207-K209 PolarHBondContact O-N 2.86Å; L207-K209 VanDerWaalsContact O-N 3.15Å; K209-E211 VanDerWaalsContact C-N 3.33Å
210	L	45.6	Very low	54.3	Low	25 Å²	25	95.8 Å²	95.8	13%	0.131	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-14.8	176.9	-137.2	80.5	0	0	0	112.2	W136 L207 M212 I213 L283	W136-L210 HydrophobicContact CH2-CD2 3.96Å; W136-L210 HydrophobicContact CZ2-CD2 4Å; L207-L210 HydrophobicContact CD1-CB 4.3Å; L207-L210 HydrophobicContact CD1-CD2 3.92Å; L207-L210 HydrophobicContact CD1-CG 4.5Å; L207-L210 HydrophobicContact CG-CB 4Å; L207-L210 HydrophobicContact CG-CD2 4.01Å; L207-L210 WeakPolarHBondContact O-CA 3.48Å; L207-L210 WeakPolarHBondContact O-CB 3.42Å; L207-L210 PolarHBondContact O-N 3.49Å; L210-M212 PolarHBondContact O-N 2.85Å; L210-I213 PolarHBondContact O-N 3.31Å; L210-L283 HydrophobicContact CD2-CD1 3.39Å
211	E	44	Very low	57.4	Low	136 Å²	136	89.1 Å²	89.1	64%	0.636	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-4.6	-174.1	-72.6	177	179.3	0	0	115.5	S208 K209	S208-E211 WeakPolarHBondContact O-CB 3.44Å; S208-E211 WeakPolarHBondContact O-CG 3.26Å; K209-E211 VanDerWaalsContact C-N 3.33Å
212	M	40.3	Very low	60.5	Low	180 Å²	180	79.5 Å²	79.5	89%	0.887	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.1	0.5	178.1	-69.2	-146	73.1	0	0	116.7	L210	L210-M212 PolarHBondContact O-N 2.85Å
213	I	46.8	Very low	63.5	Low	101 Å²	101	75 Å²	75	52%	0.518	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-31	-167.4	-54.9	176.3	0	0	0	112.6	L210	L210-I213 PolarHBondContact O-N 3.31Å
214	H	56.5	Low	66.3	Low	37 Å²	37	69.1 Å²	69.1	17%	0.171	34%	0.343	C	S	.	.			trans	-100.6	115.8	-175.8	-58.3	-57.3	0	0	0	111	H216 P281 L283 F321	H214-H216 PolarHBondContact O-N 2.96Å; H214-P281 WeakPolarHBondContact CB-O 3.31Å; H214-P281 PolarHBondContact ND1-O 3.23Å; H214-L283 HydrophobicContact CB-CB 4.11Å; H214-F321 AromaticContact CE1-CD1 3.5Å; H214-F321 VanDerWaalsContact CE1-CD1 3.5Å; H214-F321 WeakPolarHBondContact CE1-CD1 3.38Å; H214-F321 AromaticContact CE1-CD2 3.21Å; H214-F321 WeakPolarHBondContact CE1-CD2 3.44Å; H214-F321 AromaticContact CE1-CE1 3.68Å; H214-F321 AromaticContact CE1-CE2 3.42Å; H214-F321 VanDerWaalsContact CE1-CE2 3.42Å; H214-F321 WeakPolarHBondContact CE1-CE2 3.46Å; H214-F321 AromaticContact CE1-CG 3.25Å; H214-F321 WeakPolarHBondContact CE1-CG 3.42Å; H214-F321 AromaticContact CE1-CZ 3.65Å; H214-F321 AromaticContact ND1-CD2 3.71Å; H214-F321 AromaticContact NE2-CD1 3.83Å; H214-F321 AromaticContact NE2-CG 3.9Å
215	Q	64	Low	69.2	Low	153 Å²	153	64.8 Å²	64.8	72%	0.715	32%	0.324	S	S	*	.	S	Bend	trans	-69.7	-20.4	176.6	-67.3	178.9	-10.5	0	0	112.1
216	H	86.2	Confident	71.6	Confident	113 Å²	113	63.1 Å²	63.1	52%	0.523	31%	0.313	S	S	.	.			trans	-146.6	134.7	-172.1	-62.6	-70	0	0	0	111.8	H214 T282 L283	H214-H216 PolarHBondContact O-N 2.96Å; H216-T282 HydrophobicContact CB-CG2 3.98Å; H216-T282 WeakPolarHBondContact O-CA 3.31Å; H216-L283 PolarHBondContact O-N 3.27Å
217	L	91.8	Very high	74.6	Confident	42 Å²	42	57.3 Å²	57.3	22%	0.22	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.4	169.4	168	58.7	0	0	0	108.6	L133 W136 M140 I219 L283 V285	L133-L217 HydrophobicContact CD1-CD2 4Å; W136-L217 HydrophobicContact CB-CD2 4.29Å; W136-L217 HydrophobicContact CE3-CD2 4.1Å; M140-L217 HydrophobicContact CE-CD2 3.54Å; M140-L217 HydrophobicContact CE-CG 4.38Å; M140-L217 HydrophobicContact SD-CB 4.35Å; M140-L217 HydrophobicContact SD-CD2 4.32Å; L217-I219 HydrophobicContact CD1-CG1 4.39Å; L217-I219 HydrophobicContact CG-CG1 4.4Å; L217-L283 WeakPolarHBondContact CA-O 3.49Å; L217-L283 HydrophobicContact CD1-CD2 3.5Å; L217-V285 HydrophobicContact CD1-CG2 3.72Å
218	V	95.1	Very high	77.1	Confident	26 Å²	26	58.2 Å²	58.2	16%	0.158	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.9	174.2	177.1	0	0	0	0	108.9	I220 I237 T282 L283 F284 V285	V218-I220 HydrophobicContact CG1-CG1 4.11Å; V218-I237 HydrophobicContact CG1-CD1 4.04Å; V218-T282 HydrophobicContact CB-CG2 4.34Å; V218-T282 HydrophobicContact CG2-CG2 3.69Å; V218-L283 PolarHBondContact N-O 3.16Å; V218-F284 HydrophobicContact CB-CD1 3.69Å; V218-F284 HydrophobicContact CB-CE1 3.84Å; V218-F284 HydrophobicContact CG1-CD1 3.95Å; V218-F284 HydrophobicContact CG1-CE1 4.08Å; V218-F284 HydrophobicContact CG2-CD1 4.4Å; V218-F284 HydrophobicContact CG2-CE1 4.05Å; V218-F284 CarbonylContact O-C 3.36Å; V218-F284 WeakPolarHBondContact O-CA 3.48Å; V218-V285 PolarHBondContact O-N 3.34Å
219	I	97.4	Very high	79.7	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128.1	177	-56.6	171.1	0	0	0	107.8	L133 L137 L217 I233 A236 I237	L133-I219 HydrophobicContact CD1-CD1 3.94Å; L133-I219 HydrophobicContact CD1-CG1 4.27Å; L133-I219 HydrophobicContact CD2-CD1 4.3Å; L133-I219 HydrophobicContact CG-CD1 4.47Å; L137-I219 HydrophobicContact CD1-CD1 4.13Å; L137-I219 HydrophobicContact CD2-CD1 3.88Å; L137-I219 HydrophobicContact CG-CD1 4.34Å; L217-I219 HydrophobicContact CD1-CG1 4.39Å; L217-I219 HydrophobicContact CG-CG1 4.4Å; I219-I233 HydrophobicContact CD1-CG2 3.92Å; I219-A236 HydrophobicContact CB-CB 4.09Å; I219-A236 HydrophobicContact CG2-CB 3.81Å; I219-A236 CarbonylContact O-C 3.58Å; I219-A236 WeakPolarHBondContact O-CA 3.44Å; I219-I237 PolarHBondContact O-N 2.78Å
220	I	98.2	Very high	82.2	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	114.3	-178.6	-58.8	179.7	0	0	0	108.4	V218 I237 L239 L245 F249 F284 V285 L286 H287	V218-I220 HydrophobicContact CG1-CG1 4.11Å; I220-I237 WeakPolarHBondContact CA-O 2.93Å; I220-L239 HydrophobicContact CD1-CD1 4.29Å; I220-L239 HydrophobicContact CG2-CB 3.84Å; I220-L239 HydrophobicContact CG2-CD1 4.06Å; I220-L239 HydrophobicContact CG2-CG 4.28Å; I220-L245 HydrophobicContact CD1-CD1 4.06Å; I220-L245 HydrophobicContact CG2-CD1 3.94Å; I220-F249 HydrophobicContact CD1-CE2 3.49Å; I220-F249 VanDerWaalsContact CD1-CE2 3.49Å; I220-F249 HydrophobicContact CD1-CZ 3.58Å; I220-F284 HydrophobicContact CD1-CD1 4.06Å; I220-V285 PolarHBondContact N-O 3.21Å; I220-L286 HydrophobicContact CB-CD1 4.34Å; I220-L286 HydrophobicContact CB-CG 4.21Å; I220-L286 HydrophobicContact CD1-CD1 4.07Å; I220-L286 HydrophobicContact CG2-CG 4.45Å; I220-L286 WeakPolarHBondContact O-CA 3.31Å; I220-H287 PolarHBondContact O-CD2 2.92Å; I220-H287 PolarHBondContact O-N 3.39Å
221	D	98.5	Very high	84.6	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	111.1	173.8	-165.8	-25.7	0	0	0	109.5	R223 Y228 A236 I237 N238 L239 H287	D221-R223 VanDerWaalsContact C-N 3.28Å; D221-R223 PolarHBondContact O-N 2.89Å; D221-R223 WeakPolarHBondContact OD1-CB 3.31Å; D221-R223 WeakPolarHBondContact OD1-CG 3.45Å; D221-R223 PolarHBondContact OD1-N 3.26Å; D221-R223 IonicContact OD1-NE 3.61Å; D221-R223 PolarHBondContact OD1-NE 3.44Å; D221-R223 VanDerWaalsContact OD1-NE 3.12Å; D221-R223 IonicContact OD2-CZ 3.59Å; D221-R223 VanDerWaalsContact OD2-CZ 3.3Å; D221-R223 IonicContact OD2-NE 3.74Å; D221-R223 PolarHBondContact OD2-NE 3.14Å; D221-R223 IonicContact OD2-NH2 2.76Å; D221-R223 PolarHBondContact OD2-NH2 2.78Å; D221-Y228 HydrophobicContact CB-CD2 3.73Å; D221-Y228 HydrophobicContact CB-CE2 4.17Å; D221-A236 HydrophobicContact CB-CB 4.44Å; D221-I237 PolarHBondContact N-O 3.4Å; D221-N238 WeakPolarHBondContact O-CA 3.27Å; D221-N238 PolarHBondContact O-ND2 3.46Å; D221-L239 PolarHBondContact O-N 2.97Å; D221-H287 IonicContact OD1-CE1 3.39Å; D221-H287 IonicContact OD2-CE1 2.66Å; D221-H287 PolarHBondContact OD2-CE1 3.23Å; D221-H287 VanDerWaalsContact OD2-CE1 3.25Å; D221-H287 IonicContact OD2-NE2 3.6Å
222	C	98.1	Very high	87.2	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.007	23%	0.23	C	C	.	.			trans	-89.5	13.9	-179.8	-53.7	0	0	0	0	113	H287 C288 A295 L298	C222-H287 VanDerWaalsContact CB-O 3.25Å; C222-H287 WeakPolarHBondContact CB-O 3.43Å; C222-H287 PolarHBondContact N-O 3.47Å; C222-C288 HydrophobicContact CB-CB 4.27Å; C222-A295 HydrophobicContact CB-CB 4.42Å; C222-L298 HydrophobicContact CB-CD1 3.68Å; C222-L298 VanDerWaalsContact SG-CD1 3.59Å
223	R	97.1	Very high	90	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-77.9	166.7	173	-64.6	-178.4	-64.5	152	2.3	112.1	D221 E227 G231 N238 S240 C288 E289 R294 Y329	D221-R223 VanDerWaalsContact C-N 3.28Å; D221-R223 PolarHBondContact O-N 2.89Å; D221-R223 WeakPolarHBondContact OD1-CB 3.31Å; D221-R223 WeakPolarHBondContact OD1-CG 3.45Å; D221-R223 PolarHBondContact OD1-N 3.26Å; D221-R223 IonicContact OD1-NE 3.61Å; D221-R223 PolarHBondContact OD1-NE 3.44Å; D221-R223 VanDerWaalsContact OD1-NE 3.12Å; D221-R223 IonicContact OD2-CZ 3.59Å; D221-R223 VanDerWaalsContact OD2-CZ 3.3Å; D221-R223 IonicContact OD2-NE 3.74Å; D221-R223 PolarHBondContact OD2-NE 3.14Å; D221-R223 IonicContact OD2-NH2 2.76Å; D221-R223 PolarHBondContact OD2-NH2 2.78Å; R223-E227 HydrophobicContact CB-CB 3.82Å; R223-E227 HydrophobicContact CB-CG 4.41Å; R223-E227 WeakPolarHBondContact CD-OE1 3.49Å; R223-E227 HydrophobicContact CG-CB 4.49Å; R223-E227 PolarHBondContact NH1-O 3.35Å; R223-G231 PolarHBondContact NH1-O 3.25Å; R223-G231 PolarHBondContact NH2-O 3.46Å; R223-N238 PolarHBondContact O-ND2 3.44Å; R223-S240 WeakPolarHBondContact O-CB 3.07Å; R223-C288 HydrophobicContact CG-CB 4.12Å; R223-E289 HydrophobicContact CG-CB 4.49Å; R223-R294 VanDerWaalsContact CA-NH1 3.29Å; R223-Y329 VanDerWaalsContact NH1-CD1 3.32Å
224	Y	94.3	Very high	92.2	Very high	42 Å²	42	36.7 Å²	36.7	17%	0.165	18%	0.179	C	C	.	.			trans	-65.1	152.1	172.6	-62.4	-59.1	0	0	0	110.6	M24 Y226 E227 Y228 M348	M24-Y224 HydrophobicContact CE-CE2 4.35Å; M24-Y224 WeakPolarHBondContact CE-OH 3.16Å; M24-Y224 HydrophobicContact CG-CE1 3.88Å; M24-Y224 WeakPolarHBondContact CG-OH 3.49Å; M24-Y224 HydrophobicContact SD-CE1 4.45Å; M24-Y224 HydrophobicContact SD-CE2 4.34Å; Y224-Y226 VanDerWaalsContact C-N 3.27Å; Y224-Y226 AromaticContact CD2-CE1 3.76Å; Y224-Y226 HydrophobicContact CD2-CE1 3.76Å; Y224-Y226 AromaticContact CD2-CZ 3.98Å; Y224-Y226 AromaticContact CG-CE1 3.79Å; Y224-Y226 HydrophobicContact CG-CE1 3.79Å; Y224-Y226 PolarHBondContact O-N 3Å; Y224-Y226 VanDerWaalsContact O-N 3.16Å; Y224-E227 WeakPolarHBondContact CB-OE2 3.28Å; Y224-E227 WeakPolarHBondContact CD2-OE2 3.2Å; Y224-E227 PolarHBondContact N-OE2 2.88Å; Y224-E227 WeakPolarHBondContact O-CB 3.46Å; Y224-E227 PolarHBondContact O-N 3.24Å; Y224-Y228 PolarHBondContact O-N 3.19Å; Y224-M348 HydrophobicContact CD2-CG 4.42Å; Y224-M348 HydrophobicContact CE2-CE 4.41Å; Y224-M348 HydrophobicContact CE2-CG 4.27Å; Y224-M348 HydrophobicContact CE2-SD 4.31Å
225	P	94.4	Very high	94	Very high	50 Å²	50	38.4 Å²	38.4	33%	0.325	20%	0.195	S	C	.	.	H	α-helix	trans	-51	-43	-177.4	-30.5	36	0	0	0	113.7	E227 Y228 D229	P225-E227 VanDerWaalsContact C-N 3.3Å; P225-E227 PolarHBondContact O-N 3.34Å; P225-Y228 WeakPolarHBondContact O-CB 2.99Å; P225-Y228 PolarHBondContact O-N 3.29Å; P225-D229 WeakPolarHBondContact O-CB 3.4Å; P225-D229 PolarHBondContact O-N 3.12Å
226	Y	92.7	Very high	95.5	Very high	33 Å²	33	31.4 Å²	31.4	13%	0.129	16%	0.163	C	C	.	.	H	α-helix	trans	-64.2	-30.3	-179.8	71.4	-93.5	0	0	0	114	Y224 A230 L346 M348 R351 L354 W358	Y224-Y226 VanDerWaalsContact C-N 3.27Å; Y224-Y226 AromaticContact CD2-CE1 3.76Å; Y224-Y226 HydrophobicContact CD2-CE1 3.76Å; Y224-Y226 AromaticContact CD2-CZ 3.98Å; Y224-Y226 AromaticContact CG-CE1 3.79Å; Y224-Y226 HydrophobicContact CG-CE1 3.79Å; Y224-Y226 PolarHBondContact O-N 3Å; Y224-Y226 VanDerWaalsContact O-N 3.16Å; Y226-A230 WeakPolarHBondContact O-CB 3.41Å; Y226-A230 PolarHBondContact O-N 3.06Å; Y226-L346 HydrophobicContact CD2-CD2 3.9Å; Y226-M348 PolarHBondContact OH-O 2.94Å; Y226-R351 HydrophobicContact CD2-CG 4.07Å; Y226-R351 HydrophobicContact CE2-CG 4.16Å; Y226-L354 HydrophobicContact CE1-CD1 4.42Å; Y226-W358 WeakPolarHBondContact OH-CH2 3.35Å; Y226-W358 WeakPolarHBondContact OH-CZ2 3.44Å
227	E	96	Very high	96	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-72.9	-38.1	174.4	-66	169.2	79.7	0	0	110.8	R223 Y224 P225 R294	R223-E227 HydrophobicContact CB-CB 3.82Å; R223-E227 HydrophobicContact CB-CG 4.41Å; R223-E227 WeakPolarHBondContact CD-OE1 3.49Å; R223-E227 HydrophobicContact CG-CB 4.49Å; R223-E227 PolarHBondContact NH1-O 3.35Å; Y224-E227 WeakPolarHBondContact CB-OE2 3.28Å; Y224-E227 WeakPolarHBondContact CD2-OE2 3.2Å; Y224-E227 PolarHBondContact N-OE2 2.88Å; Y224-E227 WeakPolarHBondContact O-CB 3.46Å; Y224-E227 PolarHBondContact O-N 3.24Å; P225-E227 VanDerWaalsContact C-N 3.3Å; P225-E227 PolarHBondContact O-N 3.34Å; E227-R294 IonicContact OE1-CZ 3.46Å; E227-R294 IonicContact OE1-NH1 3.6Å; E227-R294 PolarHBondContact OE1-NH1 3.41Å; E227-R294 IonicContact OE1-NH2 3.39Å; E227-R294 PolarHBondContact OE1-NH2 2.93Å; E227-R294 IonicContact OE2-CZ 2.83Å; E227-R294 IonicContact OE2-NH1 2.94Å; E227-R294 PolarHBondContact OE2-NH1 3.35Å; E227-R294 IonicContact OE2-NH2 3.26Å
228	Y	97.6	Very high	96.3	Very high	37 Å²	37	28.8 Å²	28.8	15%	0.145	15%	0.153	C	C	.	.	H	α-helix	trans	-68.9	-49.4	178.9	172.3	-89.6	0	0	0	111.4	D221 Y224 P225 A230 G231 H232 A236 N238	D221-Y228 HydrophobicContact CB-CD2 3.73Å; D221-Y228 HydrophobicContact CB-CE2 4.17Å; Y224-Y228 PolarHBondContact O-N 3.19Å; P225-Y228 WeakPolarHBondContact O-CB 2.99Å; P225-Y228 PolarHBondContact O-N 3.29Å; Y228-A230 PolarHBondContact O-N 3.17Å; Y228-G231 CarbonylContact O-C 3.24Å; Y228-G231 VanDerWaalsContact O-C 3.24Å; Y228-G231 PolarHBondContact O-N 2.92Å; Y228-H232 AromaticContact CD1-ND1 3.79Å; Y228-H232 HydrophobicContact CD2-CB 3.36Å; Y228-H232 AromaticContact CD2-CG 3.53Å; Y228-H232 AromaticContact CD2-ND1 3.83Å; Y228-H232 AromaticContact CE1-CE1 3.59Å; Y228-H232 AromaticContact CE1-ND1 3.58Å; Y228-H232 HydrophobicContact CE2-CB 3.52Å; Y228-H232 AromaticContact CE2-CD2 3.45Å; Y228-H232 VanDerWaalsContact CE2-CD2 3.45Å; Y228-H232 WeakPolarHBondContact CE2-CD2 3.16Å; Y228-H232 AromaticContact CE2-CG 3.26Å; Y228-H232 AromaticContact CE2-ND1 3.67Å; Y228-H232 AromaticContact CE2-NE2 3.98Å; Y228-H232 HydrophobicContact CG-CB 4.07Å; Y228-H232 AromaticContact CG-ND1 3.89Å; Y228-H232 AromaticContact CZ-CD2 3.49Å; Y228-H232 VanDerWaalsContact CZ-CD2 3.49Å; Y228-H232 AromaticContact CZ-CE1 3.52Å; Y228-H232 AromaticContact CZ-CG 3.54Å; Y228-H232 AromaticContact CZ-ND1 3.53Å; Y228-H232 AromaticContact CZ-NE2 3.5Å; Y228-H232 PolarHBondContact O-ND1 2.94Å; Y228-H232 PolarHBondContact OH-CD2 3.32Å; Y228-H232 PolarHBondContact OH-NE2 2.9Å; Y228-A236 HydrophobicContact CE2-CB 4.26Å; Y228-A236 PolarHBondContact OH-O 3.33Å; Y228-N238 HydrophobicContact CD1-CB 3.83Å; Y228-N238 HydrophobicContact CD2-CB 3.67Å; Y228-N238 HydrophobicContact CE1-CB 4.06Å; Y228-N238 HydrophobicContact CE2-CB 3.86Å; Y228-N238 HydrophobicContact CG-CB 3.64Å
229	D	95.8	Very high	96.4	Very high	106 Å²	106	28.5 Å²	28.5	57%	0.567	15%	0.15	S	C	*	.	H	α-helix	trans	-62.3	-33.3	-178.3	-66.5	-27.5	0	0	0	112.1	P225 G231	P225-D229 WeakPolarHBondContact O-CB 3.4Å; P225-D229 PolarHBondContact O-N 3.12Å; D229-G231 VanDerWaalsContact C-N 3.25Å; D229-G231 PolarHBondContact O-N 2.98Å
230	A	95.2	Very high	96.3	Very high	23 Å²	23	29.9 Å²	29.9	19%	0.19	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-21.7	176.3	0	0	0	0	0	113.2	Y226 Y228 N344 L346	Y226-A230 WeakPolarHBondContact O-CB 3.41Å; Y226-A230 PolarHBondContact O-N 3.06Å; Y228-A230 PolarHBondContact O-N 3.17Å; A230-N344 WeakPolarHBondContact O-CB 3.26Å; A230-L346 HydrophobicContact CB-CB 3.43Å; A230-L346 VanDerWaalsContact CB-CB 3.43Å; A230-L346 HydrophobicContact CB-CD2 3.69Å; A230-L346 HydrophobicContact CB-CG 4.21Å
231	G	97.5	Very high	96.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.164	C	C	.	.			trans	161.7	126.6	177.7	0	0	0	0	0	111.9	R223 Y228 D229 Y329 P342 N344	R223-G231 PolarHBondContact NH1-O 3.25Å; R223-G231 PolarHBondContact NH2-O 3.46Å; Y228-G231 CarbonylContact O-C 3.24Å; Y228-G231 VanDerWaalsContact O-C 3.24Å; Y228-G231 PolarHBondContact O-N 2.92Å; D229-G231 VanDerWaalsContact C-N 3.25Å; D229-G231 PolarHBondContact O-N 2.98Å; G231-Y329 WeakPolarHBondContact O-CE1 3.43Å; G231-Y329 VanDerWaalsContact O-CZ 3.24Å; G231-Y329 PolarHBondContact O-OH 2.69Å; G231-P342 VanDerWaalsContact CA-O 3.26Å; G231-P342 WeakPolarHBondContact CA-O 3.24Å; G231-N344 WeakPolarHBondContact CA-O 3.44Å
232	H	98.4	Very high	95.9	Very high	24 Å²	24	31.1 Å²	31.1	11%	0.111	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	170.8	179.7	53.7	-88.1	0	0	0	111.4	Y228 Y329 C340 E341	Y228-H232 AromaticContact CD1-ND1 3.79Å; Y228-H232 HydrophobicContact CD2-CB 3.36Å; Y228-H232 AromaticContact CD2-CG 3.53Å; Y228-H232 AromaticContact CD2-ND1 3.83Å; Y228-H232 AromaticContact CE1-CE1 3.59Å; Y228-H232 AromaticContact CE1-ND1 3.58Å; Y228-H232 HydrophobicContact CE2-CB 3.52Å; Y228-H232 AromaticContact CE2-CD2 3.45Å; Y228-H232 VanDerWaalsContact CE2-CD2 3.45Å; Y228-H232 WeakPolarHBondContact CE2-CD2 3.16Å; Y228-H232 AromaticContact CE2-CG 3.26Å; Y228-H232 AromaticContact CE2-ND1 3.67Å; Y228-H232 AromaticContact CE2-NE2 3.98Å; Y228-H232 HydrophobicContact CG-CB 4.07Å; Y228-H232 AromaticContact CG-ND1 3.89Å; Y228-H232 AromaticContact CZ-CD2 3.49Å; Y228-H232 VanDerWaalsContact CZ-CD2 3.49Å; Y228-H232 AromaticContact CZ-CE1 3.52Å; Y228-H232 AromaticContact CZ-CG 3.54Å; Y228-H232 AromaticContact CZ-ND1 3.53Å; Y228-H232 AromaticContact CZ-NE2 3.5Å; Y228-H232 PolarHBondContact O-ND1 2.94Å; Y228-H232 PolarHBondContact OH-CD2 3.32Å; Y228-H232 PolarHBondContact OH-NE2 2.9Å; H232-Y329 VanDerWaalsContact C-CE2 3.41Å; H232-Y329 PolarHBondContact N-OH 3.08Å; H232-C340 CarbonylContact O-C 3.45Å; H232-C340 WeakPolarHBondContact O-CA 3.38Å; H232-C340 VanDerWaalsContact O-CB 3.31Å; H232-C340 WeakPolarHBondContact O-CB 3.5Å; H232-E341 PolarHBondContact CE1-O 3.01Å; H232-E341 PolarHBondContact N-O 3.02Å; H232-E341 VanDerWaalsContact N-O 3.09Å; H232-E341 PolarHBondContact ND1-O 3.45Å; H232-E341 PolarHBondContact NE2-O 3.08Å; H232-E341 PolarHBondContact O-N 3.1Å
233	I	98	Very high	95.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	137.4	176	-55.7	-177.6	0	0	0	108.4	L133 L137 I219 S235 A236 L325 Y329 F332	L133-I233 HydrophobicContact CD2-CD1 4.1Å; L137-I233 HydrophobicContact CD1-CG2 3.56Å; I219-I233 HydrophobicContact CD1-CG2 3.92Å; I233-S235 PolarHBondContact O-N 3.41Å; I233-A236 HydrophobicContact CB-CB 4.36Å; I233-A236 WeakPolarHBondContact O-CB 3.4Å; I233-A236 PolarHBondContact O-N 3.09Å; I233-L325 HydrophobicContact CD1-CD2 3.71Å; I233-Y329 HydrophobicContact CD1-CD2 4.43Å; I233-Y329 HydrophobicContact CG1-CD2 3.69Å; I233-Y329 HydrophobicContact CG1-CE2 3.84Å; I233-F332 HydrophobicContact CB-CE1 4.32Å; I233-F332 HydrophobicContact CD1-CB 4.25Å; I233-F332 HydrophobicContact CD1-CD1 3.78Å; I233-F332 HydrophobicContact CD1-CD2 3.93Å; I233-F332 HydrophobicContact CD1-CE1 4.09Å; I233-F332 HydrophobicContact CD1-CE2 4.24Å; I233-F332 HydrophobicContact CD1-CG 3.7Å; I233-F332 HydrophobicContact CD1-CZ 4.32Å; I233-F332 HydrophobicContact CG1-CD1 3.68Å; I233-F332 HydrophobicContact CG1-CE1 3.85Å; I233-F332 HydrophobicContact CG1-CG 4.14Å; I233-F332 HydrophobicContact CG1-CZ 4.45Å; I233-F332 HydrophobicContact CG2-CD1 4.49Å; I233-F332 HydrophobicContact CG2-CE1 3.8Å; I233-F332 HydrophobicContact CG2-CZ 3.82Å
234	Y	94.3	Very high	95.5	Very high	82 Å²	82	38.6 Å²	38.6	32%	0.322	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	131.2	178.5	179.3	-97.3	0	0	0	111.9	K141 A236 L339 E341	K141-Y234 HydrophobicContact CG-CE1 4.29Å; Y234-A236 PolarHBondContact O-N 2.93Å; Y234-L339 WeakPolarHBondContact CB-O 3.48Å; Y234-L339 PolarHBondContact N-O 3Å; Y234-E341 WeakPolarHBondContact CD2-OE2 3.47Å
235	S	92.7	Very high	95.6	Very high	72 Å²	72	36.6 Å²	36.6	50%	0.503	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	11	-175.7	77	0	0	0	0	117.2	I233	I233-S235 PolarHBondContact O-N 3.41Å
236	A	97	Very high	95.6	Very high	6 Å²	6	35.2 Å²	35.2	5%	0.05	19%	0.194	C	C	.	.			trans	-66	155	171.4	0	0	0	0	0	111.5	I219 D221 Y228 I233 Y234	I219-A236 HydrophobicContact CB-CB 4.09Å; I219-A236 HydrophobicContact CG2-CB 3.81Å; I219-A236 CarbonylContact O-C 3.58Å; I219-A236 WeakPolarHBondContact O-CA 3.44Å; D221-A236 HydrophobicContact CB-CB 4.44Å; Y228-A236 HydrophobicContact CE2-CB 4.26Å; Y228-A236 PolarHBondContact OH-O 3.33Å; I233-A236 HydrophobicContact CB-CB 4.36Å; I233-A236 WeakPolarHBondContact O-CB 3.4Å; I233-A236 PolarHBondContact O-N 3.09Å; Y234-A236 PolarHBondContact O-N 2.93Å
237	I	97.2	Very high	95.6	Very high	62 Å²	62	40.7 Å²	40.7	32%	0.318	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	133.1	172.6	-54.7	173.1	0	0	0	107.4	V218 I219 I220 D221 L239 Y248	V218-I237 HydrophobicContact CG1-CD1 4.04Å; I219-I237 PolarHBondContact O-N 2.78Å; I220-I237 WeakPolarHBondContact CA-O 2.93Å; D221-I237 PolarHBondContact N-O 3.4Å; I237-L239 HydrophobicContact CG2-CG 4.27Å; I237-Y248 HydrophobicContact CD1-CE2 4.16Å
238	N	98.1	Very high	95.5	Very high	39 Å²	39	45.3 Å²	45.3	21%	0.209	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	118.9	175.4	-172.1	-125.6	0	0	0	111.5	D221 R223 Y228	D221-N238 WeakPolarHBondContact O-CA 3.27Å; D221-N238 PolarHBondContact O-ND2 3.46Å; R223-N238 PolarHBondContact O-ND2 3.44Å; Y228-N238 HydrophobicContact CD1-CB 3.83Å; Y228-N238 HydrophobicContact CD2-CB 3.67Å; Y228-N238 HydrophobicContact CE1-CB 4.06Å; Y228-N238 HydrophobicContact CE2-CB 3.86Å; Y228-N238 HydrophobicContact CG-CB 3.64Å
239	L	97.2	Very high	95.3	Very high	20 Å²	20	43.8 Å²	43.8	11%	0.105	23%	0.23	C	C	.	.			trans	-138.6	88.7	171.7	-61.4	171.3	0	0	0	107.7	I220 D221 I237 N244 L245 Y248	I220-L239 HydrophobicContact CD1-CD1 4.29Å; I220-L239 HydrophobicContact CG2-CB 3.84Å; I220-L239 HydrophobicContact CG2-CD1 4.06Å; I220-L239 HydrophobicContact CG2-CG 4.28Å; D221-L239 PolarHBondContact O-N 2.97Å; I237-L239 HydrophobicContact CG2-CG 4.27Å; L239-N244 HydrophobicContact CD2-CB 4.17Å; L239-L245 HydrophobicContact CB-CD1 3.98Å; L239-L245 HydrophobicContact CD1-CD1 3.86Å; L239-Y248 HydrophobicContact CD1-CD1 4.08Å; L239-Y248 HydrophobicContact CD1-CD2 4.1Å; L239-Y248 HydrophobicContact CD1-CG 3.75Å
240	S	94.7	Very high	95.2	Very high	30 Å²	30	40.2 Å²	40.2	21%	0.21	21%	0.21	C	C	.	.			trans	-76.6	-27.7	-172.2	51.3	0	0	0	0	114	R223	R223-S240 WeakPolarHBondContact O-CB 3.07Å
241	D	92.7	Very high	94.5	Very high	17 Å²	17	41.5 Å²	41.5	9%	0.091	23%	0.225	C	C	.	.	S	Bend	trans	-125.3	162.5	-171	65.9	58.6	0	0	0	113.5	P243 N244 L245	D241-P243 VanDerWaalsContact OD1-CD 3.25Å; D241-P243 WeakPolarHBondContact OD1-CD 3.44Å; D241-N244 VanDerWaalsContact CG-ND2 3.34Å; D241-N244 WeakPolarHBondContact OD1-CB 3.48Å; D241-N244 PolarHBondContact OD1-N 2.63Å; D241-N244 PolarHBondContact OD1-ND2 2.87Å; D241-N244 VanDerWaalsContact OD1-ND2 3.16Å; D241-N244 PolarHBondContact OD2-ND2 2.79Å; D241-L245 VanDerWaalsContact O-CB 3.27Å; D241-L245 WeakPolarHBondContact O-CB 3.25Å; D241-L245 PolarHBondContact O-N 2.83Å; D241-L245 VanDerWaalsContact O-N 3.1Å
242	W	94.8	Very high	93.1	Very high	10 Å²	10	44.6 Å²	44.6	4%	0.038	25%	0.25	C	S	.	.	H	α-helix	trans	-66.1	-44.4	180	172.1	-116.3	0	0	0	113.9	I31 N244 L245 C246 L298 L301 L302 Y305	I31-W242 HydrophobicContact CD1-CB 3.79Å; I31-W242 HydrophobicContact CG1-CB 3.59Å; I31-W242 HydrophobicContact CG1-CG 4.13Å; W242-N244 PolarHBondContact O-N 3.49Å; W242-L245 HydrophobicContact CE3-CB 4.47Å; W242-L245 HydrophobicContact CE3-CD2 4.02Å; W242-L245 HydrophobicContact CZ3-CD2 4.11Å; W242-L245 PolarHBondContact O-N 3.49Å; W242-C246 HydrophobicContact CD2-CB 4.06Å; W242-C246 HydrophobicContact CE3-CB 4.25Å; W242-C246 HydrophobicContact CH2-CB 3.95Å; W242-C246 HydrophobicContact CZ2-CB 3.75Å; W242-C246 HydrophobicContact CZ3-CB 4.19Å; W242-C246 WeakPolarHBondContact O-CB 3.31Å; W242-C246 PolarHBondContact O-N 2.94Å; W242-L298 HydrophobicContact CB-CD2 4.07Å; W242-L301 HydrophobicContact CB-CD1 3.95Å; W242-L301 HydrophobicContact CD2-CB 3.81Å; W242-L301 HydrophobicContact CD2-CD1 4.12Å; W242-L301 HydrophobicContact CE3-CB 3.5Å; W242-L301 HydrophobicContact CE3-CD1 4.25Å; W242-L301 HydrophobicContact CG-CD1 3.99Å; W242-L301 HydrophobicContact CH2-CB 4.13Å; W242-L301 WeakPolarHBondContact CH2-O 3.5Å; W242-L301 HydrophobicContact CZ2-CB 4.37Å; W242-L301 HydrophobicContact CZ3-CB 3.69Å; W242-L302 VanDerWaalsContact CZ3-CA 3.48Å; W242-L302 HydrophobicContact CZ3-CB 4.01Å; W242-L302 VanDerWaalsContact CZ3-N 3.29Å; W242-Y305 HydrophobicContact CH2-CG 4.12Å; W242-Y305 HydrophobicContact CZ2-CD2 4.05Å; W242-Y305 AromaticContact CZ2-CG 3.94Å; W242-Y305 HydrophobicContact CZ2-CG 3.94Å
243	P	94.5	Very high	90.9	Very high	80 Å²	80	53.1 Å²	53.1	52%	0.519	29%	0.287	S	S	.	.	H	α-helix	trans	-54.7	-46.6	177.8	-29.2	36.1	0	0	0	114	D241 K247	D241-P243 VanDerWaalsContact OD1-CD 3.25Å; D241-P243 WeakPolarHBondContact OD1-CD 3.44Å; P243-K247 VanDerWaalsContact O-CB 3.27Å; P243-K247 WeakPolarHBondContact O-CB 3.35Å; P243-K247 PolarHBondContact O-N 2.91Å
244	N	93.6	Very high	88.3	Confident	78 Å²	78	58.8 Å²	58.8	42%	0.417	31%	0.314	S	S	.	.	H	α-helix	trans	-69.8	-42.1	179.3	-73.5	-44.4	0	0	0	111.6	L239 D241 W242 K247 Y248	L239-N244 HydrophobicContact CD2-CB 4.17Å; D241-N244 VanDerWaalsContact CG-ND2 3.34Å; D241-N244 WeakPolarHBondContact OD1-CB 3.48Å; D241-N244 PolarHBondContact OD1-N 2.63Å; D241-N244 PolarHBondContact OD1-ND2 2.87Å; D241-N244 VanDerWaalsContact OD1-ND2 3.16Å; D241-N244 PolarHBondContact OD2-ND2 2.79Å; W242-N244 PolarHBondContact O-N 3.49Å; N244-K247 PolarHBondContact O-N 3.09Å; N244-Y248 WeakPolarHBondContact O-CB 3.25Å; N244-Y248 PolarHBondContact O-N 3.43Å
245	L	94.8	Very high	85.5	Confident	0 Å²	0	59 Å²	59	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-60.5	-50.5	173.8	-167.2	81.5	0	0	0	111.3	I220 L239 D241 W242 K247 Y248 F249 L298 L302	I220-L245 HydrophobicContact CD1-CD1 4.06Å; I220-L245 HydrophobicContact CG2-CD1 3.94Å; L239-L245 HydrophobicContact CB-CD1 3.98Å; L239-L245 HydrophobicContact CD1-CD1 3.86Å; D241-L245 VanDerWaalsContact O-CB 3.27Å; D241-L245 WeakPolarHBondContact O-CB 3.25Å; D241-L245 PolarHBondContact O-N 2.83Å; D241-L245 VanDerWaalsContact O-N 3.1Å; W242-L245 HydrophobicContact CE3-CB 4.47Å; W242-L245 HydrophobicContact CE3-CD2 4.02Å; W242-L245 HydrophobicContact CZ3-CD2 4.11Å; W242-L245 PolarHBondContact O-N 3.49Å; L245-K247 VanDerWaalsContact C-N 3.33Å; L245-K247 PolarHBondContact O-N 2.9Å; L245-Y248 WeakPolarHBondContact O-CB 3.25Å; L245-Y248 PolarHBondContact O-N 2.75Å; L245-Y248 VanDerWaalsContact O-N 3.09Å; L245-F249 HydrophobicContact CD1-CD2 4.16Å; L245-F249 HydrophobicContact CD1-CE2 3.73Å; L245-F249 HydrophobicContact CG-CD2 3.99Å; L245-F249 HydrophobicContact CG-CE2 4.01Å; L245-F249 VanDerWaalsContact O-CD2 3.32Å; L245-F249 WeakPolarHBondContact O-CD2 3.1Å; L245-F249 PolarHBondContact O-N 3.34Å; L245-L298 HydrophobicContact CD2-CB 3.89Å; L245-L298 HydrophobicContact CD2-CD1 4.49Å; L245-L298 HydrophobicContact CD2-CD2 4.15Å; L245-L298 HydrophobicContact CD2-CG 4.4Å; L245-L302 HydrophobicContact CD2-CB 4.42Å; L245-L302 HydrophobicContact CD2-CD1 4.29Å
246	C	94.2	Very high	82.8	Confident	21 Å²	21	62 Å²	62	14%	0.142	34%	0.336	C	S	.	.	H	α-helix	trans	-60.2	-42.9	179.2	-176	0	0	0	0	111.2	W242 Y248 F249 F250	W242-C246 HydrophobicContact CD2-CB 4.06Å; W242-C246 HydrophobicContact CE3-CB 4.25Å; W242-C246 HydrophobicContact CH2-CB 3.95Å; W242-C246 HydrophobicContact CZ2-CB 3.75Å; W242-C246 HydrophobicContact CZ3-CB 4.19Å; W242-C246 WeakPolarHBondContact O-CB 3.31Å; W242-C246 PolarHBondContact O-N 2.94Å; C246-Y248 VanDerWaalsContact C-N 3.34Å; C246-Y248 PolarHBondContact O-N 3.39Å; C246-F249 PolarHBondContact O-N 2.84Å; C246-F250 WeakPolarHBondContact O-CA 3.15Å; C246-F250 WeakPolarHBondContact O-CB 3.27Å; C246-F250 WeakPolarHBondContact O-CD2 3.44Å; C246-F250 PolarHBondContact O-N 3.46Å
247	K	93.8	Very high	79.9	Confident	148 Å²	148	72.5 Å²	72.5	64%	0.643	38%	0.375	S	S	*	.	H	α-helix	trans	-62.4	-39.5	173.8	-175.9	-179.4	177.7	-176.7	0	112.3	P243 N244 L245 G251	P243-K247 VanDerWaalsContact O-CB 3.27Å; P243-K247 WeakPolarHBondContact O-CB 3.35Å; P243-K247 PolarHBondContact O-N 2.91Å; N244-K247 PolarHBondContact O-N 3.09Å; L245-K247 VanDerWaalsContact C-N 3.33Å; L245-K247 PolarHBondContact O-N 2.9Å; K247-G251 WeakPolarHBondContact O-CA 3.45Å; K247-G251 PolarHBondContact O-N 3.39Å
248	Y	94.1	Very high	77	Confident	97 Å²	97	72.7 Å²	72.7	38%	0.38	38%	0.379	S	S	.	.	H	α-helix	trans	-63.2	-45.7	176.9	-178.4	-89.4	0	0	0	111.9	I237 L239 N244 L245 C246 F284	I237-Y248 HydrophobicContact CD1-CE2 4.16Å; L239-Y248 HydrophobicContact CD1-CD1 4.08Å; L239-Y248 HydrophobicContact CD1-CD2 4.1Å; L239-Y248 HydrophobicContact CD1-CG 3.75Å; N244-Y248 WeakPolarHBondContact O-CB 3.25Å; N244-Y248 PolarHBondContact O-N 3.43Å; L245-Y248 WeakPolarHBondContact O-CB 3.25Å; L245-Y248 PolarHBondContact O-N 2.75Å; L245-Y248 VanDerWaalsContact O-N 3.09Å; C246-Y248 VanDerWaalsContact C-N 3.34Å; C246-Y248 PolarHBondContact O-N 3.39Å; Y248-F284 HydrophobicContact CE1-CE1 4.01Å
249	F	93.5	Very high	74.4	Confident	4 Å²	4	79 Å²	79	2%	0.018	41%	0.405	C	S	.	.	H	α-helix	trans	-79.5	-34.8	-179.2	-79.2	-90.4	0	0	0	113.5	I220 L245 C246 F284 L302 K318 Y319	I220-F249 HydrophobicContact CD1-CE2 3.49Å; I220-F249 VanDerWaalsContact CD1-CE2 3.49Å; I220-F249 HydrophobicContact CD1-CZ 3.58Å; L245-F249 HydrophobicContact CD1-CD2 4.16Å; L245-F249 HydrophobicContact CD1-CE2 3.73Å; L245-F249 HydrophobicContact CG-CD2 3.99Å; L245-F249 HydrophobicContact CG-CE2 4.01Å; L245-F249 VanDerWaalsContact O-CD2 3.32Å; L245-F249 WeakPolarHBondContact O-CD2 3.1Å; L245-F249 PolarHBondContact O-N 3.34Å; C246-F249 PolarHBondContact O-N 2.84Å; F249-F284 AromaticContact CE1-CD1 3.75Å; F249-F284 HydrophobicContact CE1-CD1 3.75Å; F249-F284 AromaticContact CE1-CD2 3.81Å; F249-F284 HydrophobicContact CE1-CD2 3.81Å; F249-F284 AromaticContact CE1-CE1 3.78Å; F249-F284 HydrophobicContact CE1-CE1 3.78Å; F249-F284 AromaticContact CE1-CE2 3.84Å; F249-F284 HydrophobicContact CE1-CE2 3.84Å; F249-F284 AromaticContact CE1-CG 3.76Å; F249-F284 HydrophobicContact CE1-CG 3.76Å; F249-F284 AromaticContact CE1-CZ 3.81Å; F249-F284 HydrophobicContact CE1-CZ 3.81Å; F249-F284 HydrophobicContact CZ-CB 4.26Å; F249-F284 AromaticContact CZ-CD1 3.52Å; F249-F284 HydrophobicContact CZ-CD1 3.52Å; F249-F284 HydrophobicContact CZ-CD2 4.29Å; F249-F284 AromaticContact CZ-CE1 3.88Å; F249-F284 HydrophobicContact CZ-CE1 3.88Å; F249-F284 AromaticContact CZ-CG 3.75Å; F249-F284 HydrophobicContact CZ-CG 3.75Å; F249-F284 HydrophobicContact CZ-CZ 4.38Å; F249-L302 HydrophobicContact CD1-CD1 4.02Å; F249-L302 HydrophobicContact CD2-CD1 3.77Å; F249-L302 HydrophobicContact CE1-CD1 3.77Å; F249-L302 HydrophobicContact CE2-CD1 3.52Å; F249-L302 HydrophobicContact CG-CD1 4.03Å; F249-L302 HydrophobicContact CZ-CD1 3.52Å; F249-K318 PolarHBondContact O-NZ 2.98Å; F249-Y319 HydrophobicContact CB-CD2 4.34Å; F249-Y319 HydrophobicContact CB-CE2 3.88Å; F249-Y319 AromaticContact CD1-CD1 3.69Å; F249-Y319 HydrophobicContact CD1-CD1 3.69Å; F249-Y319 AromaticContact CD1-CD2 3.61Å; F249-Y319 HydrophobicContact CD1-CD2 3.61Å; F249-Y319 AromaticContact CD1-CE1 3.8Å; F249-Y319 HydrophobicContact CD1-CE1 3.8Å; F249-Y319 AromaticContact CD1-CE2 3.71Å; F249-Y319 HydrophobicContact CD1-CE2 3.71Å; F249-Y319 AromaticContact CD1-CG 3.59Å; F249-Y319 HydrophobicContact CD1-CG 3.59Å; F249-Y319 AromaticContact CD1-CZ 3.83Å; F249-Y319 AromaticContact CE1-CD1 3.94Å; F249-Y319 HydrophobicContact CE1-CD1 3.94Å; F249-Y319 HydrophobicContact CE1-CD2 4.44Å; F249-Y319 HydrophobicContact CE1-CE1 4.33Å; F249-Y319 AromaticContact CE1-CG 4Å; F249-Y319 HydrophobicContact CE1-CG 4Å; F249-Y319 HydrophobicContact CG-CD2 4.44Å; F249-Y319 HydrophobicContact CG-CE2 4.31Å; F249-Y319 VanDerWaalsContact O-CE2 3.28Å; F249-Y319 WeakPolarHBondContact O-CE2 3.45Å; F249-Y319 VanDerWaalsContact O-CZ 3.28Å; F249-Y319 PolarHBondContact O-OH 2.79Å
250	F	92.3	Very high	71.8	Confident	32 Å²	32	85.5 Å²	85.5	14%	0.14	43%	0.434	C	S	.	.	H	α-helix	trans	-127.4	-10.3	-168.4	-52.9	-76.7	0	0	0	114.4	C246 Y305 D306 L309 K318 Y319	C246-F250 WeakPolarHBondContact O-CA 3.15Å; C246-F250 WeakPolarHBondContact O-CB 3.27Å; C246-F250 WeakPolarHBondContact O-CD2 3.44Å; C246-F250 PolarHBondContact O-N 3.46Å; F250-Y305 HydrophobicContact CB-CE1 4.01Å; F250-Y305 HydrophobicContact CD1-CD1 4.21Å; F250-Y305 HydrophobicContact CD1-CE1 4.12Å; F250-Y305 AromaticContact CD2-CD1 3.51Å; F250-Y305 HydrophobicContact CD2-CD1 3.51Å; F250-Y305 AromaticContact CD2-CE1 3.66Å; F250-Y305 HydrophobicContact CD2-CE1 3.66Å; F250-Y305 HydrophobicContact CE1-CD1 4.19Å; F250-Y305 AromaticContact CE2-CD1 3.5Å; F250-Y305 HydrophobicContact CE2-CD1 3.5Å; F250-Y305 HydrophobicContact CE2-CE1 4.13Å; F250-Y305 HydrophobicContact CE2-CG 4.43Å; F250-Y305 AromaticContact CG-CD1 3.9Å; F250-Y305 HydrophobicContact CG-CD1 3.9Å; F250-Y305 AromaticContact CG-CE1 3.66Å; F250-Y305 HydrophobicContact CG-CE1 3.66Å; F250-Y305 AromaticContact CZ-CD1 3.86Å; F250-Y305 HydrophobicContact CZ-CD1 3.86Å; F250-D306 HydrophobicContact CE1-CB 4.4Å; F250-D306 HydrophobicContact CZ-CB 3.99Å; F250-L309 HydrophobicContact CD1-CD1 3.47Å; F250-L309 VanDerWaalsContact CD1-CD1 3.47Å; F250-L309 HydrophobicContact CE1-CD1 3.62Å; F250-L309 HydrophobicContact CG-CD1 4.27Å; F250-K318 HydrophobicContact CD1-CD 4.43Å; F250-K318 HydrophobicContact CE1-CD 4.37Å; F250-Y319 HydrophobicContact CD1-CE2 4.02Å; F250-Y319 AromaticContact CE1-CD2 3.75Å; F250-Y319 HydrophobicContact CE1-CD2 3.75Å; F250-Y319 AromaticContact CE1-CE2 3.58Å; F250-Y319 HydrophobicContact CE1-CE2 3.58Å; F250-Y319 AromaticContact CZ-CD2 3.83Å; F250-Y319 HydrophobicContact CZ-CD2 3.83Å; F250-Y319 AromaticContact CZ-CE2 3.99Å; F250-Y319 HydrophobicContact CZ-CE2 3.99Å
251	G	81.9	Confident	69.2	Low	49 Å²	49	87.6 Å²	87.6	51%	0.505	45%	0.453	S	S	.	.	S	Bend	trans	-78.6	-21.8	-175.1	0	0	0	0	0	114.9	K247 K253	K247-G251 WeakPolarHBondContact O-CA 3.45Å; K247-G251 PolarHBondContact O-N 3.39Å; G251-K253 PolarHBondContact O-N 3.2Å
252	A	67.5	Low	67	Low	65 Å²	65	93.2 Å²	93.2	54%	0.537	48%	0.483	S	S	.	.	S	Bend	trans	-75	115.9	167.3	0	0	0	0	0	108.6	Q254	A252-Q254 PolarHBondContact O-N 3.45Å
253	K	52.3	Low	64.8	Low	204 Å²	204	99.7 Å²	99.7	89%	0.887	52%	0.518	S	S	*	.			trans	-55	92.9	150.1	-68	-178.8	-177.2	-179.2	0	104.3	G251 S255	G251-K253 PolarHBondContact O-N 3.2Å; K253-S255 VanDerWaalsContact C-N 3.28Å; K253-S255 PolarHBondContact O-N 3.02Å
254	Q	43	Very low	62.4	Low	119 Å²	119	101 Å²	101	56%	0.556	53%	0.529	S	S	*	.			trans	-53.3	110.9	168.6	-77.2	-178.4	7.6	0	0	103.1	A252 I256	A252-Q254 PolarHBondContact O-N 3.45Å; Q254-I256 PolarHBondContact O-N 3.23Å
255	S	34.8	Very low	60.4	Low	87 Å²	87	106.5 Å²	106.5	61%	0.608	55%	0.549	S	S	*	.			trans	-49.6	121.9	174.5	43.4	0	0	0	0	104	K253 R257	K253-S255 VanDerWaalsContact C-N 3.28Å; K253-S255 PolarHBondContact O-N 3.02Å; S255-R257 PolarHBondContact O-N 3.48Å
256	I	37.4	Very low	58.1	Low	133 Å²	133	111.9 Å²	111.9	68%	0.682	59%	0.587	S	S	*	*			trans	-56.1	87.3	159.7	-54	178.1	0	0	0	102.7	Q254 T258	Q254-I256 PolarHBondContact O-N 3.23Å; I256-T258 HydrophobicContact CG2-CG2 3.28Å; I256-T258 WeakPolarHBondContact CG2-OG1 3.15Å; I256-T258 PolarHBondContact O-N 3.03Å; I256-T258 PolarHBondContact O-OG1 3.27Å
257	R	35.6	Very low	55.6	Low	228 Å²	228	116.3 Å²	116.3	86%	0.86	62%	0.618	S	S	*	*			trans	-75.3	60.3	150.2	-69.1	-169	-176.7	-169.8	2.1	104.1	S255 F259	S255-R257 PolarHBondContact O-N 3.48Å; R257-F259 PolarHBondContact O-N 3.01Å
258	T	35.2	Very low	53.1	Low	66 Å²	66	114.9 Å²	114.9	41%	0.405	63%	0.627	S	S	.	*			trans	-53	123.4	143.8	30.5	0	0	0	0	102.5	I256 E260	I256-T258 HydrophobicContact CG2-CG2 3.28Å; I256-T258 WeakPolarHBondContact CG2-OG1 3.15Å; I256-T258 PolarHBondContact O-N 3.03Å; I256-T258 PolarHBondContact O-OG1 3.27Å; T258-E260 PolarHBondContact O-N 3.17Å; T258-E260 VanDerWaalsContact OG1-CD 3.22Å; T258-E260 WeakPolarHBondContact OG1-CG 3.21Å; T258-E260 PolarHBondContact OG1-OE1 2.82Å
259	F	43.9	Very low	50.6	Low	171 Å²	171	114.9 Å²	114.9	75%	0.75	64%	0.641	S	S	*	*			trans	-56.6	75.4	147	-112.9	-105.2	0	0	0	106.1	R257 A261	R257-F259 PolarHBondContact O-N 3.01Å; F259-A261 PolarHBondContact O-N 3.15Å
260	E	42.4	Very low	48.1	Very low	157 Å²	157	120.8 Å²	120.8	73%	0.734	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	27.4	172.8	-112.7	165.9	-132.1	0	0	109.9	T258	T258-E260 PolarHBondContact O-N 3.17Å; T258-E260 VanDerWaalsContact OG1-CD 3.22Å; T258-E260 WeakPolarHBondContact OG1-CG 3.21Å; T258-E260 PolarHBondContact OG1-OE1 2.82Å
261	A	41.9	Very low	45.7	Very low	73 Å²	73	123.7 Å²	123.7	60%	0.603	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	-8.1	175.7	0	0	0	0	0	113.1	F259	F259-A261 PolarHBondContact O-N 3.15Å
262	D	44.8	Very low	43.9	Very low	135 Å²	135	128.1 Å²	128.1	72%	0.722	72%	0.715	S	S	*	*	S	Bend	trans	-115.2	2.8	-177.3	-80.7	-20.5	0	0	0	115.8
263	L	49.8	Very low	43.2	Very low	147 Å²	147	131.5 Å²	131.5	77%	0.77	72%	0.724	S	S	*	*			trans	-104.5	10.1	-173.5	-95.7	135.7	0	0	0	116.4	K265	L263-K265 PolarHBondContact O-N 3.44Å; L263-K265 VanDerWaalsContact O-N 3.08Å
264	S	44.6	Very low	43.3	Very low	107 Å²	107	127.5 Å²	127.5	75%	0.748	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	45.1	171.7	59.2	0	0	0	0	112.7
265	K	49.8	Very low	43.9	Very low	193 Å²	193	128 Å²	128	84%	0.839	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-166.7	36.3	179	-114	163.9	-159.6	-179.2	0	117.4	L263	L263-K265 PolarHBondContact O-N 3.44Å; L263-K265 VanDerWaalsContact O-N 3.08Å
266	S	46.7	Very low	45.2	Very low	114 Å²	114	131.3 Å²	131.3	80%	0.797	73%	0.726	S	S	*	*			trans	-155.6	84	165.8	-56.5	0	0	0	0	112.4
267	S	41.6	Very low	46.6	Very low	113 Å²	113	127.3 Å²	127.3	79%	0.79	71%	0.708	S	S	*	*			trans	-55.6	145.6	156.4	28	0	0	0	0	110.8
268	S	41.6	Very low	48.9	Very low	118 Å²	118	125.1 Å²	125.1	83%	0.825	71%	0.705	S	S	*	*			trans	78.3	83	170.3	64.8	0	0	0	0	119.3
269	S	42.3	Very low	51.5	Low	98 Å²	98	125.2 Å²	125.2	69%	0.685	71%	0.707	S	S	*	*				179.7	123.3	120.6	59.8	0	0	0	0	109.7	T271	S269-T271 VanDerWaalsContact C-N 3.34Å; S269-T271 PolarHBondContact O-N 3.47Å
270	S	41	Very low	53.6	Low	128 Å²	128	118 Å²	118	90%	0.895	68%	0.678	S	S	*	*			trans	-63.8	92.2	168.9	48.5	0	0	0	0	109.2
271	T	42.6	Very low	55.9	Low	93 Å²	93	113.1 Å²	113.1	57%	0.571	66%	0.659	S	S	*	*			trans	-116.5	112	162.7	50.9	0	0	0	0	106.9	S269 L273	S269-T271 VanDerWaalsContact C-N 3.34Å; S269-T271 PolarHBondContact O-N 3.47Å; T271-L273 PolarHBondContact O-N 3.16Å
272	D	43.7	Very low	58.2	Low	141 Å²	141	110.7 Å²	110.7	75%	0.754	64%	0.637	S	S	*	*			trans	-65	73.5	174.4	-147.1	15.2	0	0	0	107.1	K53 L274	K53-D272 IonicContact NZ-OD2 3.17Å; K53-D272 PolarHBondContact NZ-OD2 3.07Å; D272-L274 VanDerWaalsContact C-N 3.3Å; D272-L274 PolarHBondContact O-N 3.32Å
273	L	51.9	Low	60.6	Low	137 Å²	137	104.5 Å²	104.5	72%	0.717	60%	0.604	S	S	*	*			trans	-71.2	94.3	179.2	-69.3	-171.6	0	0	0	107.2	T271 V275	T271-L273 PolarHBondContact O-N 3.16Å; L273-V275 WeakPolarHBondContact O-CG2 3.27Å; L273-V275 PolarHBondContact O-N 3.3Å
274	L	54	Low	62.8	Low	119 Å²	119	97.9 Å²	97.9	62%	0.623	57%	0.569	S	S	*	*			trans	-55.9	85	166.6	-160.8	109.6	0	0	0	108.1	D272 K276	D272-L274 VanDerWaalsContact C-N 3.3Å; D272-L274 PolarHBondContact O-N 3.32Å; L274-K276 PolarHBondContact O-N 3.42Å
275	V	56.9	Low	65.3	Low	130 Å²	130	92.8 Å²	92.8	79%	0.788	53%	0.533	S	S	*	.			trans	-63.8	99.4	179.6	179.1	0	0	0	0	106.8	L273	L273-V275 WeakPolarHBondContact O-CG2 3.27Å; L273-V275 PolarHBondContact O-N 3.3Å
276	K	62.2	Low	67.6	Low	156 Å²	156	83.6 Å²	83.6	68%	0.678	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-59.2	127.1	174	-69.8	-175.3	179.3	-178	0	107.7	L274 K278	L274-K276 PolarHBondContact O-N 3.42Å; K276-K278 PolarHBondContact O-N 2.95Å
277	P	65.7	Low	70	Confident	49 Å²	49	78.1 Å²	78.1	32%	0.318	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-62	130.6	-179.4	16.9	-21.8	0	0	0	109.2	H310	P277-H310 WeakPolarHBondContact CG-CD2 3.42Å; P277-H310 WeakPolarHBondContact CG-NE2 3.45Å
278	K	84.1	Confident	72.7	Confident	183 Å²	183	72.9 Å²	72.9	80%	0.796	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-66.2	123.6	177.5	-175.8	176.9	178.6	177.9	0	108.4	K276	K276-K278 PolarHBondContact O-N 2.95Å
279	P	89	Confident	75.4	Confident	68 Å²	68	67.6 Å²	67.6	44%	0.442	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-64.3	141	177.8	26.3	-33.6	0	0	0	110.1	P320	P279-P320 HydrophobicContact CB-CG 3.95Å
280	S	89.7	Confident	78	Confident	20 Å²	20	67.3 Å²	67.3	14%	0.14	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-63.5	128.2	171.5	-177	0	0	0	0	109.6	T282 K318	S280-T282 PolarHBondContact O-N 2.89Å; S280-T282 WeakPolarHBondContact OG-CB 3.36Å; S280-T282 PolarHBondContact OG-N 3.1Å; S280-K318 VanDerWaalsContact CB-O 3.22Å; S280-K318 WeakPolarHBondContact CB-O 3.49Å; S280-K318 PolarHBondContact N-O 2.87Å
281	P	89.8	Confident	80.6	Confident	53 Å²	53	61.5 Å²	61.5	34%	0.344	33%	0.327	S	S	.	.			trans	-79.5	-3.5	173.5	34.7	-35.9	0	0	0	112.4	H214	H214-P281 WeakPolarHBondContact CB-O 3.31Å; H214-P281 PolarHBondContact ND1-O 3.23Å
282	T	91.3	Very high	83	Confident	23 Å²	23	61.3 Å²	61.3	14%	0.141	33%	0.326	C	S	.	.			trans	-74.4	134.2	-178.9	-56.2	0	0	0	0	111	H216 V218 S280 F284	H216-T282 HydrophobicContact CB-CG2 3.98Å; H216-T282 WeakPolarHBondContact O-CA 3.31Å; V218-T282 HydrophobicContact CB-CG2 4.34Å; V218-T282 HydrophobicContact CG2-CG2 3.69Å; S280-T282 PolarHBondContact O-N 2.89Å; S280-T282 WeakPolarHBondContact OG-CB 3.36Å; S280-T282 PolarHBondContact OG-N 3.1Å; T282-F284 HydrophobicContact CG2-CD1 4.41Å; T282-F284 HydrophobicContact CG2-CD2 4.22Å; T282-F284 HydrophobicContact CG2-CE1 3.85Å; T282-F284 HydrophobicContact CG2-CE2 3.64Å; T282-F284 HydrophobicContact CG2-CZ 3.45Å; T282-F284 VanDerWaalsContact CG2-CZ 3.45Å; T282-F284 WeakPolarHBondContact O-CD2 3.37Å; T282-F284 WeakPolarHBondContact O-CE2 3.3Å
283	L	93.3	Very high	85.4	Confident	4 Å²	4	59 Å²	59	2%	0.021	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	127.4	171.3	-169.6	146.6	0	0	0	109.8	I128 W136 L210 H214 H216 L217 V218 V285 Y323	I128-L283 HydrophobicContact CD1-CD2 4.05Å; W136-L283 HydrophobicContact CH2-CD1 4.03Å; W136-L283 HydrophobicContact CH2-CD2 4.49Å; W136-L283 HydrophobicContact CZ3-CD1 4.4Å; W136-L283 HydrophobicContact CZ3-CD2 4.07Å; L210-L283 HydrophobicContact CD2-CD1 3.39Å; H214-L283 HydrophobicContact CB-CB 4.11Å; H216-L283 PolarHBondContact O-N 3.27Å; L217-L283 WeakPolarHBondContact CA-O 3.49Å; L217-L283 HydrophobicContact CD1-CD2 3.5Å; V218-L283 PolarHBondContact N-O 3.16Å; L283-V285 HydrophobicContact CD2-CG2 3.43Å; L283-V285 VanDerWaalsContact CD2-CG2 3.43Å; L283-Y323 HydrophobicContact CD1-CD2 4.1Å; L283-Y323 HydrophobicContact CD1-CE2 3.69Å; L283-Y323 HydrophobicContact CD2-CD2 4.09Å; L283-Y323 HydrophobicContact CD2-CE2 4.5Å; L283-Y323 HydrophobicContact CG-CD2 3.91Å; L283-Y323 HydrophobicContact CG-CE2 3.88Å
284	F	96	Very high	87.4	Confident	8 Å²	8	54.1 Å²	54.1	4%	0.035	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.8	178.2	-62	-87.4	0	0	0	110.4	V218 I220 Y248 F249 T282 L286 Y319 F321 V322 Y323	V218-F284 HydrophobicContact CB-CD1 3.69Å; V218-F284 HydrophobicContact CB-CE1 3.84Å; V218-F284 HydrophobicContact CG1-CD1 3.95Å; V218-F284 HydrophobicContact CG1-CE1 4.08Å; V218-F284 HydrophobicContact CG2-CD1 4.4Å; V218-F284 HydrophobicContact CG2-CE1 4.05Å; V218-F284 CarbonylContact O-C 3.36Å; V218-F284 WeakPolarHBondContact O-CA 3.48Å; I220-F284 HydrophobicContact CD1-CD1 4.06Å; Y248-F284 HydrophobicContact CE1-CE1 4.01Å; F249-F284 AromaticContact CE1-CD1 3.75Å; F249-F284 HydrophobicContact CE1-CD1 3.75Å; F249-F284 AromaticContact CE1-CD2 3.81Å; F249-F284 HydrophobicContact CE1-CD2 3.81Å; F249-F284 AromaticContact CE1-CE1 3.78Å; F249-F284 HydrophobicContact CE1-CE1 3.78Å; F249-F284 AromaticContact CE1-CE2 3.84Å; F249-F284 HydrophobicContact CE1-CE2 3.84Å; F249-F284 AromaticContact CE1-CG 3.76Å; F249-F284 HydrophobicContact CE1-CG 3.76Å; F249-F284 AromaticContact CE1-CZ 3.81Å; F249-F284 HydrophobicContact CE1-CZ 3.81Å; F249-F284 HydrophobicContact CZ-CB 4.26Å; F249-F284 AromaticContact CZ-CD1 3.52Å; F249-F284 HydrophobicContact CZ-CD1 3.52Å; F249-F284 HydrophobicContact CZ-CD2 4.29Å; F249-F284 AromaticContact CZ-CE1 3.88Å; F249-F284 HydrophobicContact CZ-CE1 3.88Å; F249-F284 AromaticContact CZ-CG 3.75Å; F249-F284 HydrophobicContact CZ-CG 3.75Å; F249-F284 HydrophobicContact CZ-CZ 4.38Å; T282-F284 HydrophobicContact CG2-CD1 4.41Å; T282-F284 HydrophobicContact CG2-CD2 4.22Å; T282-F284 HydrophobicContact CG2-CE1 3.85Å; T282-F284 HydrophobicContact CG2-CE2 3.64Å; T282-F284 HydrophobicContact CG2-CZ 3.45Å; T282-F284 VanDerWaalsContact CG2-CZ 3.45Å; T282-F284 WeakPolarHBondContact O-CD2 3.37Å; T282-F284 WeakPolarHBondContact O-CE2 3.3Å; F284-L286 HydrophobicContact CB-CD1 4.4Å; F284-Y319 HydrophobicContact CD2-CD1 4.4Å; F284-Y319 AromaticContact CE2-CD1 3.64Å; F284-Y319 HydrophobicContact CE2-CD1 3.64Å; F284-Y319 HydrophobicContact CE2-CE1 4.11Å; F284-Y319 HydrophobicContact CZ-CD1 4.17Å; F284-Y319 HydrophobicContact CZ-CE1 4.21Å; F284-F321 PolarHBondContact N-O 3.03Å; F284-V322 HydrophobicContact CB-CG1 4.31Å; F284-V322 HydrophobicContact CB-CG2 4.23Å; F284-V322 HydrophobicContact CD2-CG2 4.32Å; F284-V322 WeakPolarHBondContact O-CA 3.48Å; F284-Y323 PolarHBondContact O-N 3.17Å
285	V	97.2	Very high	89.5	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	111.7	174.4	-173.4	0	0	0	0	108.8	I128 L133 L217 V218 I220 L283 Y323 L325	I128-V285 HydrophobicContact CD1-CG1 4.49Å; I128-V285 HydrophobicContact CD1-CG2 3.6Å; L133-V285 HydrophobicContact CD1-CG2 4.41Å; L133-V285 HydrophobicContact CD2-CG1 4.37Å; L217-V285 HydrophobicContact CD1-CG2 3.72Å; V218-V285 PolarHBondContact O-N 3.34Å; I220-V285 PolarHBondContact N-O 3.21Å; L283-V285 HydrophobicContact CD2-CG2 3.43Å; L283-V285 VanDerWaalsContact CD2-CG2 3.43Å; V285-Y323 WeakPolarHBondContact CA-O 3.32Å; V285-L325 HydrophobicContact CG1-CB 3.94Å
286	L	98.2	Very high	91.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	140.8	173.1	-79.2	65.3	0	0	0	109.3	I220 F284 A295 L298 F299 V322 Y323 I324 L325	I220-L286 HydrophobicContact CB-CD1 4.34Å; I220-L286 HydrophobicContact CB-CG 4.21Å; I220-L286 HydrophobicContact CD1-CD1 4.07Å; I220-L286 HydrophobicContact CG2-CG 4.45Å; I220-L286 WeakPolarHBondContact O-CA 3.31Å; F284-L286 HydrophobicContact CB-CD1 4.4Å; L286-A295 HydrophobicContact CB-CB 4.25Å; L286-L298 HydrophobicContact CD2-CB 4.2Å; L286-F299 HydrophobicContact CD2-CB 4.34Å; L286-V322 HydrophobicContact CD1-CG1 3.59Å; L286-Y323 PolarHBondContact N-O 3.43Å; L286-I324 HydrophobicContact CB-CG1 4.4Å; L286-I324 CarbonylContact O-C 3.36Å; L286-I324 VanDerWaalsContact O-CA 3.3Å; L286-I324 WeakPolarHBondContact O-CA 3.25Å; L286-L325 PolarHBondContact O-N 2.94Å
287	H	98.5	Very high	92.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	160.7	170.3	73.9	89.5	0	0	0	111.1	I220 D221 C222 S291 L325	I220-H287 PolarHBondContact O-CD2 2.92Å; I220-H287 PolarHBondContact O-N 3.39Å; D221-H287 IonicContact OD1-CE1 3.39Å; D221-H287 IonicContact OD2-CE1 2.66Å; D221-H287 PolarHBondContact OD2-CE1 3.23Å; D221-H287 VanDerWaalsContact OD2-CE1 3.25Å; D221-H287 IonicContact OD2-NE2 3.6Å; C222-H287 VanDerWaalsContact CB-O 3.25Å; C222-H287 WeakPolarHBondContact CB-O 3.43Å; C222-H287 PolarHBondContact N-O 3.47Å; H287-S291 WeakPolarHBondContact CA-OG 3.32Å; H287-L325 HydrophobicContact CB-CB 3.65Å; H287-L325 HydrophobicContact CB-CD2 3.99Å; H287-L325 HydrophobicContact CB-CG 4.43Å
288	C	97.8	Very high	94.4	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.02	19%	0.192	C	C	.	.			trans	-128.4	-148	163.3	64.5	0	0	0	0	109.3	C222 R223 S291 R294 A295 G328 Y329	C222-C288 HydrophobicContact CB-CB 4.27Å; R223-C288 HydrophobicContact CG-CB 4.12Å; C288-S291 PolarHBondContact N-OG 2.87Å; C288-S291 WeakPolarHBondContact SG-CA 3.16Å; C288-S291 PolarHBondContact SG-N 3.49Å; C288-R294 HydrophobicContact CB-CB 3.85Å; C288-A295 HydrophobicContact CB-CB 4.31Å; C288-G328 WeakPolarHBondContact O-CA 3.45Å; C288-Y329 PolarHBondContact O-N 2.98Å
289	E	97.8	Very high	95	Very high	6 Å²	6	29.4 Å²	29.4	3%	0.028	16%	0.155	C	C	.	.	S	Bend	trans	-64.3	-51.5	177.2	-173.2	178.4	-170.8	0	0	111.7	R223 R294 G328 Y329 S330 Y345 Q347 M348	R223-E289 HydrophobicContact CG-CB 4.49Å; E289-R294 IonicContact OE2-NH2 3.49Å; E289-G328 CarbonylContact O-C 3.45Å; E289-Y329 PolarHBondContact O-N 2.98Å; E289-S330 VanDerWaalsContact O-CB 3.31Å; E289-S330 WeakPolarHBondContact O-CB 3.44Å; E289-S330 PolarHBondContact O-N 3.33Å; E289-Y345 HydrophobicContact CG-CE2 4.08Å; E289-Y345 WeakPolarHBondContact CG-OH 3.44Å; E289-Y345 PolarHBondContact OE1-OH 3.06Å; E289-Q347 VanDerWaalsContact OE1-CA 3.29Å; E289-Q347 WeakPolarHBondContact OE1-CA 3.22Å; E289-Q347 WeakPolarHBondContact OE1-CB 3.44Å; E289-Q347 WeakPolarHBondContact OE1-CG 3.42Å; E289-M348 PolarHBondContact OE1-N 3.38Å; E289-M348 WeakPolarHBondContact OE2-CB 3.27Å; E289-M348 PolarHBondContact OE2-N 3.19Å
290	F	96.9	Very high	95.3	Very high	92 Å²	92	28.2 Å²	28.2	40%	0.404	14%	0.144	S	C	.	.	S	Bend	trans	-117.5	-5.3	179.5	-53.5	-69.1	0	0	0	113.7	T292 G327	F290-T292 HydrophobicContact CB-CG2 4.11Å; F290-T292 PolarHBondContact O-N 2.94Å; F290-G327 CarbonylContact O-C 3.49Å
291	S	96.3	Very high	95.5	Very high	7 Å²	7	28.3 Å²	28.3	5%	0.049	14%	0.143	C	C	.	.	S	Bend	trans	56.6	29.3	-174.4	-66.1	0	0	0	0	115.4	H287 C288 P296 L325 G328	H287-S291 WeakPolarHBondContact CA-OG 3.32Å; C288-S291 PolarHBondContact N-OG 2.87Å; C288-S291 WeakPolarHBondContact SG-CA 3.16Å; C288-S291 PolarHBondContact SG-N 3.49Å; S291-P296 WeakPolarHBondContact O-CD 3.37Å; S291-P296 VanDerWaalsContact O-CG 3.26Å; S291-P296 WeakPolarHBondContact O-CG 3.33Å; S291-L325 WeakPolarHBondContact CB-O 3.4Å; S291-L325 PolarHBondContact OG-O 3.47Å; S291-G328 WeakPolarHBondContact OG-CA 3.44Å; S291-G328 PolarHBondContact OG-N 2.87Å
292	T	93.4	Very high	95.8	Very high	88 Å²	88	25.8 Å²	25.8	54%	0.54	13%	0.126	S	C	.	.	S	Bend	trans	-98.7	-27	-178.6	52.3	0	0	0	0	114.4	F290	F290-T292 HydrophobicContact CB-CG2 4.11Å; F290-T292 PolarHBondContact O-N 2.94Å
293	K	92.8	Very high	96	Very high	93 Å²	93	26.9 Å²	26.9	40%	0.404	13%	0.128	S	C	.	.	S	Bend	trans	-128.3	-73	-175.5	-61.3	-69.7	-176.1	172.9	0	112.4	D113 A295 P296 Q297	D113-K293 IonicContact OD1-NZ 2.83Å; D113-K293 PolarHBondContact OD1-NZ 2.95Å; K293-A295 PolarHBondContact O-N 3.35Å; K293-P296 VanDerWaalsContact O-CD 3.31Å; K293-P296 WeakPolarHBondContact O-CD 3.31Å; K293-Q297 WeakPolarHBondContact O-CB 3.29Å; K293-Q297 VanDerWaalsContact O-CG 3.27Å; K293-Q297 WeakPolarHBondContact O-CG 3.3Å; K293-Q297 PolarHBondContact O-N 3.01Å
294	R	95.1	Very high	96	Very high	35 Å²	35	29.5 Å²	29.5	13%	0.132	14%	0.142	C	C	.	.	H	α-helix	trans	-53.5	-55.1	-173.3	-62.7	177.9	-84.1	177.1	-1.9	114	R223 E227 C288 E289 Q297 L298	R223-R294 VanDerWaalsContact CA-NH1 3.29Å; E227-R294 IonicContact OE1-CZ 3.46Å; E227-R294 IonicContact OE1-NH1 3.6Å; E227-R294 PolarHBondContact OE1-NH1 3.41Å; E227-R294 IonicContact OE1-NH2 3.39Å; E227-R294 PolarHBondContact OE1-NH2 2.93Å; E227-R294 IonicContact OE2-CZ 2.83Å; E227-R294 IonicContact OE2-NH1 2.94Å; E227-R294 PolarHBondContact OE2-NH1 3.35Å; E227-R294 IonicContact OE2-NH2 3.26Å; C288-R294 HydrophobicContact CB-CB 3.85Å; E289-R294 IonicContact OE2-NH2 3.49Å; R294-Q297 PolarHBondContact O-N 3.4Å; R294-L298 PolarHBondContact O-N 3.35Å
295	A	96.9	Very high	95.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.8	-46.8	179.9	0	0	0	0	0	113.3	C222 L286 C288 K293 Q297 L298 F299	C222-A295 HydrophobicContact CB-CB 4.42Å; L286-A295 HydrophobicContact CB-CB 4.25Å; C288-A295 HydrophobicContact CB-CB 4.31Å; K293-A295 PolarHBondContact O-N 3.35Å; A295-Q297 PolarHBondContact O-N 3.21Å; A295-L298 PolarHBondContact O-N 2.9Å; A295-F299 WeakPolarHBondContact O-CB 3.21Å; A295-F299 PolarHBondContact O-N 2.86Å
296	P	96.4	Very high	95.7	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.032	15%	0.151	C	C	.	.	H	α-helix	trans	-53.2	-44.7	169.3	-32	37.2	0	0	0	115.2	W125 S291 K293 F299 H300 I324	W125-P296 HydrophobicContact CD2-CB 4.21Å; W125-P296 HydrophobicContact CD2-CG 4.32Å; W125-P296 HydrophobicContact CE3-CB 3.91Å; W125-P296 HydrophobicContact CE3-CG 4.44Å; W125-P296 HydrophobicContact CH2-CB 3.57Å; W125-P296 HydrophobicContact CH2-CG 3.61Å; W125-P296 HydrophobicContact CZ2-CB 3.84Å; W125-P296 HydrophobicContact CZ2-CG 3.39Å; W125-P296 HydrophobicContact CZ3-CB 3.6Å; W125-P296 HydrophobicContact CZ3-CG 4.14Å; S291-P296 WeakPolarHBondContact O-CD 3.37Å; S291-P296 VanDerWaalsContact O-CG 3.26Å; S291-P296 WeakPolarHBondContact O-CG 3.33Å; K293-P296 VanDerWaalsContact O-CD 3.31Å; K293-P296 WeakPolarHBondContact O-CD 3.31Å; P296-F299 WeakPolarHBondContact O-CB 3.44Å; P296-F299 PolarHBondContact O-N 2.92Å; P296-H300 PolarHBondContact O-CD2 2.83Å; P296-H300 PolarHBondContact O-N 3.26Å; P296-I324 HydrophobicContact CB-CD1 4.3Å; P296-I324 HydrophobicContact CG-CD1 4.11Å
297	Q	95	Very high	95.5	Very high	97 Å²	97	35.3 Å²	35.3	45%	0.453	16%	0.164	S	C	.	.	H	α-helix	trans	-61	-49.6	178.1	-75.3	170.7	-29.4	0	0	111.3	K293 R294 A295 F299 H300 L301	K293-Q297 WeakPolarHBondContact O-CB 3.29Å; K293-Q297 VanDerWaalsContact O-CG 3.27Å; K293-Q297 WeakPolarHBondContact O-CG 3.3Å; K293-Q297 PolarHBondContact O-N 3.01Å; R294-Q297 PolarHBondContact O-N 3.4Å; A295-Q297 PolarHBondContact O-N 3.21Å; Q297-F299 VanDerWaalsContact C-N 3.33Å; Q297-F299 PolarHBondContact O-N 2.93Å; Q297-H300 PolarHBondContact O-N 3.46Å; Q297-L301 WeakPolarHBondContact O-CG 3.4Å; Q297-L301 PolarHBondContact O-N 3.29Å; Q297-L301 VanDerWaalsContact O-N 3.09Å
298	L	96.4	Very high	95.1	Very high	8 Å²	8	37 Å²	37	4%	0.042	17%	0.174	C	C	.	.	H	α-helix	trans	-63.8	-37.1	177.5	-73.5	179.4	0	0	0	112.7	C222 W242 L245 L286 R294 A295 L301 L302	C222-L298 HydrophobicContact CB-CD1 3.68Å; C222-L298 VanDerWaalsContact SG-CD1 3.59Å; W242-L298 HydrophobicContact CB-CD2 4.07Å; L245-L298 HydrophobicContact CD2-CB 3.89Å; L245-L298 HydrophobicContact CD2-CD1 4.49Å; L245-L298 HydrophobicContact CD2-CD2 4.15Å; L245-L298 HydrophobicContact CD2-CG 4.4Å; L286-L298 HydrophobicContact CD2-CB 4.2Å; R294-L298 PolarHBondContact O-N 3.35Å; A295-L298 PolarHBondContact O-N 2.9Å; L298-L301 HydrophobicContact CD2-CD1 4.33Å; L298-L301 PolarHBondContact O-N 2.97Å; L298-L302 WeakPolarHBondContact O-CB 3.38Å; L298-L302 PolarHBondContact O-N 3.45Å
299	F	96.9	Very high	94.7	Very high	8 Å²	8	41 Å²	41	4%	0.035	20%	0.195	C	C	.	.	H	α-helix	trans	-59.6	-45.7	173.5	172.6	-90.6	0	0	0	111.9	W125 P126 L286 A295 P296 Q297 L302 R303 V322 I324	W125-F299 HydrophobicContact CB-CD1 3.87Å; W125-F299 HydrophobicContact CB-CE1 3.69Å; W125-F299 HydrophobicContact CB-CZ 4.18Å; P126-F299 HydrophobicContact CG-CE2 4.07Å; P126-F299 HydrophobicContact CG-CZ 3.92Å; L286-F299 HydrophobicContact CD2-CB 4.34Å; A295-F299 WeakPolarHBondContact O-CB 3.21Å; A295-F299 PolarHBondContact O-N 2.86Å; P296-F299 WeakPolarHBondContact O-CB 3.44Å; P296-F299 PolarHBondContact O-N 2.92Å; Q297-F299 VanDerWaalsContact C-N 3.33Å; Q297-F299 PolarHBondContact O-N 2.93Å; F299-L302 PolarHBondContact O-N 3.41Å; F299-R303 WeakPolarHBondContact O-CB 3.11Å; F299-R303 PolarHBondContact O-N 2.86Å; F299-V322 HydrophobicContact CD2-CB 4.29Å; F299-V322 HydrophobicContact CD2-CG1 3.71Å; F299-V322 HydrophobicContact CE2-CB 4.03Å; F299-V322 HydrophobicContact CE2-CG1 3.96Å; F299-V322 WeakPolarHBondContact CE2-O 3.28Å; F299-I324 HydrophobicContact CB-CD1 3.62Å; F299-I324 HydrophobicContact CB-CG1 4.27Å; F299-I324 HydrophobicContact CD1-CD1 4.36Å; F299-I324 HydrophobicContact CD2-CD1 4.3Å; F299-I324 HydrophobicContact CD2-CG1 4.49Å; F299-I324 HydrophobicContact CG-CD1 3.84Å; F299-I324 HydrophobicContact CG-CG1 4.47Å
300	H	94.8	Very high	94.2	Very high	43 Å²	43	41.5 Å²	41.5	20%	0.199	20%	0.197	C	C	.	.	H	α-helix	trans	-62.1	-46.4	178	-80.4	-62.5	0	0	0	111.7	W125 P296 Q297 L302 R303 N304	W125-H300 AromaticContact CE3-NE2 3.8Å; P296-H300 PolarHBondContact O-CD2 2.83Å; P296-H300 PolarHBondContact O-N 3.26Å; Q297-H300 PolarHBondContact O-N 3.46Å; H300-L302 PolarHBondContact O-N 2.91Å; H300-R303 PolarHBondContact O-N 3.09Å; H300-N304 VanDerWaalsContact O-CB 3.25Å; H300-N304 WeakPolarHBondContact O-CB 3.15Å; H300-N304 PolarHBondContact O-N 3.44Å; H300-N304 PolarHBondContact O-OD1 3.01Å
301	L	95.7	Very high	93.7	Very high	22 Å²	22	43 Å²	43	12%	0.115	20%	0.203	C	C	.	.	H	α-helix	trans	-59.8	-46.2	177.3	-65.3	168.5	0	0	0	111.7	I31 F35 W242 Q297 L298 N304 Y305	I31-L301 HydrophobicContact CB-CD1 4.46Å; I31-L301 HydrophobicContact CD1-CD1 3.99Å; I31-L301 HydrophobicContact CG1-CD1 4.14Å; I31-L301 HydrophobicContact CG2-CD1 3.44Å; I31-L301 VanDerWaalsContact CG2-CD1 3.44Å; I31-L301 HydrophobicContact CG2-CD2 3.5Å; I31-L301 HydrophobicContact CG2-CG 4.09Å; F35-L301 HydrophobicContact CD2-CD2 4.36Å; W242-L301 HydrophobicContact CB-CD1 3.95Å; W242-L301 HydrophobicContact CD2-CB 3.81Å; W242-L301 HydrophobicContact CD2-CD1 4.12Å; W242-L301 HydrophobicContact CE3-CB 3.5Å; W242-L301 HydrophobicContact CE3-CD1 4.25Å; W242-L301 HydrophobicContact CG-CD1 3.99Å; W242-L301 HydrophobicContact CH2-CB 4.13Å; W242-L301 WeakPolarHBondContact CH2-O 3.5Å; W242-L301 HydrophobicContact CZ2-CB 4.37Å; W242-L301 HydrophobicContact CZ3-CB 3.69Å; Q297-L301 WeakPolarHBondContact O-CG 3.4Å; Q297-L301 PolarHBondContact O-N 3.29Å; Q297-L301 VanDerWaalsContact O-N 3.09Å; L298-L301 HydrophobicContact CD2-CD1 4.33Å; L298-L301 PolarHBondContact O-N 2.97Å; L301-N304 PolarHBondContact O-N 2.96Å; L301-Y305 WeakPolarHBondContact O-CB 3.41Å; L301-Y305 PolarHBondContact O-N 2.99Å
302	L	95.8	Very high	93.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58	-52.5	177	-175.5	162.9	0	0	0	111	W242 L245 F249 L298 F299 H300 N304 Y305 D306 V322	W242-L302 VanDerWaalsContact CZ3-CA 3.48Å; W242-L302 HydrophobicContact CZ3-CB 4.01Å; W242-L302 VanDerWaalsContact CZ3-N 3.29Å; L245-L302 HydrophobicContact CD2-CB 4.42Å; L245-L302 HydrophobicContact CD2-CD1 4.29Å; F249-L302 HydrophobicContact CD1-CD1 4.02Å; F249-L302 HydrophobicContact CD2-CD1 3.77Å; F249-L302 HydrophobicContact CE1-CD1 3.77Å; F249-L302 HydrophobicContact CE2-CD1 3.52Å; F249-L302 HydrophobicContact CG-CD1 4.03Å; F249-L302 HydrophobicContact CZ-CD1 3.52Å; L298-L302 WeakPolarHBondContact O-CB 3.38Å; L298-L302 PolarHBondContact O-N 3.45Å; F299-L302 PolarHBondContact O-N 3.41Å; H300-L302 PolarHBondContact O-N 2.91Å; L302-N304 VanDerWaalsContact C-N 3.35Å; L302-N304 PolarHBondContact O-N 2.89Å; L302-Y305 PolarHBondContact O-N 3.19Å; L302-D306 WeakPolarHBondContact O-CB 3.39Å; L302-D306 PolarHBondContact O-N 2.98Å; L302-V322 HydrophobicContact CD1-CG1 4.42Å; L302-V322 HydrophobicContact CD2-CG2 4.07Å
303	R	95	Very high	93	Very high	46 Å²	46	44.4 Å²	44.4	17%	0.174	21%	0.213	C	C	.	.	H	α-helix	trans	-64	-42.9	-176.9	-179.5	54.3	57.7	78.1	-3.5	111.3	F299 H300 D306 R307	F299-R303 WeakPolarHBondContact O-CB 3.11Å; F299-R303 PolarHBondContact O-N 2.86Å; H300-R303 PolarHBondContact O-N 3.09Å; R303-D306 PolarHBondContact O-N 3.39Å; R303-R307 WeakPolarHBondContact O-CB 3.41Å; R303-R307 VanDerWaalsContact O-CG 3.25Å; R303-R307 WeakPolarHBondContact O-CG 3.47Å; R303-R307 PolarHBondContact O-N 2.92Å
304	N	93.5	Very high	92.6	Very high	59 Å²	59	47.3 Å²	47.3	32%	0.316	22%	0.222	S	C	.	.	H	α-helix	trans	-63.6	-45.6	179.2	-73	-3.1	0	0	0	111.1	F35 H300 L301 L302 D306 R307 T308	F35-N304 HydrophobicContact CE2-CB 3.39Å; F35-N304 HydrophobicContact CZ-CB 3.47Å; F35-N304 VanDerWaalsContact CZ-CB 3.47Å; H300-N304 VanDerWaalsContact O-CB 3.25Å; H300-N304 WeakPolarHBondContact O-CB 3.15Å; H300-N304 PolarHBondContact O-N 3.44Å; H300-N304 PolarHBondContact O-OD1 3.01Å; L301-N304 PolarHBondContact O-N 2.96Å; L302-N304 VanDerWaalsContact C-N 3.35Å; L302-N304 PolarHBondContact O-N 2.89Å; N304-D306 PolarHBondContact O-N 3.48Å; N304-R307 WeakPolarHBondContact O-CB 3.46Å; N304-R307 PolarHBondContact O-N 2.66Å; N304-T308 PolarHBondContact O-N 3.2Å; N304-T308 PolarHBondContact O-OG1 2.98Å; N304-T308 VanDerWaalsContact O-OG1 3.06Å
305	Y	93.9	Very high	92.4	Very high	56 Å²	56	50 Å²	50	22%	0.22	24%	0.244	C	C	.	.	H	α-helix	trans	-62.4	-44.2	177.1	-168.6	-94	0	0	0	112	W242 F250 L301 L302 R307 T308 L309	W242-Y305 HydrophobicContact CH2-CG 4.12Å; W242-Y305 HydrophobicContact CZ2-CD2 4.05Å; W242-Y305 AromaticContact CZ2-CG 3.94Å; W242-Y305 HydrophobicContact CZ2-CG 3.94Å; F250-Y305 HydrophobicContact CB-CE1 4.01Å; F250-Y305 HydrophobicContact CD1-CD1 4.21Å; F250-Y305 HydrophobicContact CD1-CE1 4.12Å; F250-Y305 AromaticContact CD2-CD1 3.51Å; F250-Y305 HydrophobicContact CD2-CD1 3.51Å; F250-Y305 AromaticContact CD2-CE1 3.66Å; F250-Y305 HydrophobicContact CD2-CE1 3.66Å; F250-Y305 HydrophobicContact CE1-CD1 4.19Å; F250-Y305 AromaticContact CE2-CD1 3.5Å; F250-Y305 HydrophobicContact CE2-CD1 3.5Å; F250-Y305 HydrophobicContact CE2-CE1 4.13Å; F250-Y305 HydrophobicContact CE2-CG 4.43Å; F250-Y305 AromaticContact CG-CD1 3.9Å; F250-Y305 HydrophobicContact CG-CD1 3.9Å; F250-Y305 AromaticContact CG-CE1 3.66Å; F250-Y305 HydrophobicContact CG-CE1 3.66Å; F250-Y305 AromaticContact CZ-CD1 3.86Å; F250-Y305 HydrophobicContact CZ-CD1 3.86Å; L301-Y305 WeakPolarHBondContact O-CB 3.41Å; L301-Y305 PolarHBondContact O-N 2.99Å; L302-Y305 PolarHBondContact O-N 3.19Å; Y305-R307 VanDerWaalsContact C-N 3.28Å; Y305-R307 PolarHBondContact O-N 3.26Å; Y305-T308 PolarHBondContact O-N 3.11Å; Y305-L309 HydrophobicContact CD1-CD1 3.9Å; Y305-L309 HydrophobicContact CD1-CG 4.17Å; Y305-L309 HydrophobicContact CE1-CD1 3.64Å; Y305-L309 HydrophobicContact CE1-CD2 4.26Å; Y305-L309 HydrophobicContact CE1-CG 3.97Å; Y305-L309 WeakPolarHBondContact O-CG 3.23Å; Y305-L309 PolarHBondContact O-N 3.35Å
306	D	93.7	Very high	92.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.8	-38.8	175.2	-162.1	4	0	0	0	111.4	F250 L302 R303 N304 L309 H310 L317 K318 Y319	F250-D306 HydrophobicContact CE1-CB 4.4Å; F250-D306 HydrophobicContact CZ-CB 3.99Å; L302-D306 WeakPolarHBondContact O-CB 3.39Å; L302-D306 PolarHBondContact O-N 2.98Å; R303-D306 PolarHBondContact O-N 3.39Å; N304-D306 PolarHBondContact O-N 3.48Å; D306-L309 PolarHBondContact O-N 3.39Å; D306-H310 PolarHBondContact O-N 3.41Å; D306-H310 VanDerWaalsContact O-N 3.17Å; D306-H310 PolarHBondContact O-ND1 3.17Å; D306-H310 IonicContact OD1-CE1 3.05Å; D306-H310 PolarHBondContact OD1-CE1 3.14Å; D306-H310 IonicContact OD1-ND1 3.12Å; D306-H310 PolarHBondContact OD1-ND1 2.95Å; D306-L317 HydrophobicContact CB-CD2 4.01Å; D306-K318 WeakPolarHBondContact OD1-CB 3.35Å; D306-K318 PolarHBondContact OD1-N 3.3Å; D306-K318 PolarHBondContact OD2-N 2.83Å; D306-K318 VanDerWaalsContact OD2-N 3.16Å; D306-Y319 PolarHBondContact OD2-N 3.15Å
307	R	92.8	Very high	91.9	Very high	74 Å²	74	52.1 Å²	52.1	28%	0.279	26%	0.259	S	S	.	.	H	α-helix	trans	-68.1	-40.1	174.5	-71.8	-67.1	-169.7	-159.3	4	112.7	R303 N304 Y305 L309 H310 F311 P315 A316 L317	R303-R307 WeakPolarHBondContact O-CB 3.41Å; R303-R307 VanDerWaalsContact O-CG 3.25Å; R303-R307 WeakPolarHBondContact O-CG 3.47Å; R303-R307 PolarHBondContact O-N 2.92Å; N304-R307 WeakPolarHBondContact O-CB 3.46Å; N304-R307 PolarHBondContact O-N 2.66Å; Y305-R307 VanDerWaalsContact C-N 3.28Å; Y305-R307 PolarHBondContact O-N 3.26Å; R307-L309 VanDerWaalsContact C-N 3.31Å; R307-L309 PolarHBondContact O-N 3.3Å; R307-H310 CarbonylContact O-C 3.5Å; R307-H310 PolarHBondContact O-N 2.78Å; R307-H310 VanDerWaalsContact O-N 3.14Å; R307-F311 WeakPolarHBondContact O-CA 3.44Å; R307-F311 PolarHBondContact O-N 2.85Å; R307-P315 PolarHBondContact NH1-O 2.93Å; R307-A316 PolarHBondContact NH1-O 3.11Å; R307-A316 VanDerWaalsContact NH1-O 3.07Å; R307-L317 HydrophobicContact CG-CD2 3.97Å
308	T	90.7	Very high	91.8	Very high	34 Å²	34	49 Å²	49	21%	0.209	24%	0.244	C	C	.	.	H	α-helix	trans	-61.5	-40.7	175.6	-59.5	0	0	0	0	111.4	S42 N304 Y305 H310	S42-T308 WeakPolarHBondContact OG-CG2 3.45Å; N304-T308 PolarHBondContact O-N 3.2Å; N304-T308 PolarHBondContact O-OG1 2.98Å; N304-T308 VanDerWaalsContact O-OG1 3.06Å; Y305-T308 PolarHBondContact O-N 3.11Å; T308-H310 VanDerWaalsContact C-N 3.28Å; T308-H310 PolarHBondContact O-N 2.91Å
309	L	88.8	Confident	91.7	Very high	88 Å²	88	49.2 Å²	49.2	46%	0.461	24%	0.244	S	C	.	.	H	α-helix	trans	-64.1	-33.3	174.8	-69.5	179.6	0	0	0	112.7	F250 Y305 D306 R307	F250-L309 HydrophobicContact CD1-CD1 3.47Å; F250-L309 VanDerWaalsContact CD1-CD1 3.47Å; F250-L309 HydrophobicContact CE1-CD1 3.62Å; F250-L309 HydrophobicContact CG-CD1 4.27Å; Y305-L309 HydrophobicContact CD1-CD1 3.9Å; Y305-L309 HydrophobicContact CD1-CG 4.17Å; Y305-L309 HydrophobicContact CE1-CD1 3.64Å; Y305-L309 HydrophobicContact CE1-CD2 4.26Å; Y305-L309 HydrophobicContact CE1-CG 3.97Å; Y305-L309 WeakPolarHBondContact O-CG 3.23Å; Y305-L309 PolarHBondContact O-N 3.35Å; D306-L309 PolarHBondContact O-N 3.39Å; R307-L309 VanDerWaalsContact C-N 3.31Å; R307-L309 PolarHBondContact O-N 3.3Å
310	H	86.8	Confident	91.4	Very high	16 Å²	16	50.8 Å²	50.8	7%	0.074	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	18.5	-175.9	-61.9	106.2	0	0	0	114.3	P277 D306 R307 T308 T312 S313 Y314 A316 K318	P277-H310 WeakPolarHBondContact CG-CD2 3.42Å; P277-H310 WeakPolarHBondContact CG-NE2 3.45Å; D306-H310 PolarHBondContact O-N 3.41Å; D306-H310 VanDerWaalsContact O-N 3.17Å; D306-H310 PolarHBondContact O-ND1 3.17Å; D306-H310 IonicContact OD1-CE1 3.05Å; D306-H310 PolarHBondContact OD1-CE1 3.14Å; D306-H310 IonicContact OD1-ND1 3.12Å; D306-H310 PolarHBondContact OD1-ND1 2.95Å; R307-H310 CarbonylContact O-C 3.5Å; R307-H310 PolarHBondContact O-N 2.78Å; R307-H310 VanDerWaalsContact O-N 3.14Å; T308-H310 VanDerWaalsContact C-N 3.28Å; T308-H310 PolarHBondContact O-N 2.91Å; H310-T312 VanDerWaalsContact C-N 3.32Å; H310-T312 PolarHBondContact O-N 3.36Å; H310-S313 WeakPolarHBondContact CB-OG 3.48Å; H310-S313 CarbonylContact O-C 3.6Å; H310-S313 WeakPolarHBondContact O-CA 3.43Å; H310-S313 PolarHBondContact O-N 3.49Å; H310-S313 PolarHBondContact O-OG 2.95Å; H310-S313 VanDerWaalsContact O-OG 3.04Å; H310-Y314 PolarHBondContact O-N 2.84Å; H310-Y314 VanDerWaalsContact O-N 3.13Å; H310-A316 HydrophobicContact CB-CB 4.4Å; H310-A316 WeakPolarHBondContact CB-O 3.25Å; H310-K318 PolarHBondContact CE1-N 3.46Å
311	F	86.5	Confident	91.4	Very high	123 Å²	123	51.7 Å²	51.7	54%	0.539	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-51.6	-46.6	-173.3	-178	-98.3	0	0	0	113.1	R307 S313	R307-F311 WeakPolarHBondContact O-CA 3.44Å; R307-F311 PolarHBondContact O-N 2.85Å; F311-S313 PolarHBondContact O-N 3.3Å
312	T	88.7	Confident	91.4	Very high	105 Å²	105	50.7 Å²	50.7	64%	0.644	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-74.2	-11.2	179.8	57.7	0	0	0	0	114.3	H310	H310-T312 VanDerWaalsContact C-N 3.32Å; H310-T312 PolarHBondContact O-N 3.36Å
313	S	87.8	Confident	91.4	Very high	20 Å²	20	51.6 Å²	51.6	14%	0.14	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-118.4	19	-176.9	63.8	0	0	0	0	112.4	H310 F311 A316	H310-S313 WeakPolarHBondContact CB-OG 3.48Å; H310-S313 CarbonylContact O-C 3.6Å; H310-S313 WeakPolarHBondContact O-CA 3.43Å; H310-S313 PolarHBondContact O-N 3.49Å; H310-S313 PolarHBondContact O-OG 2.95Å; H310-S313 VanDerWaalsContact O-OG 3.04Å; F311-S313 PolarHBondContact O-N 3.3Å; S313-A316 WeakPolarHBondContact O-CB 3.25Å; S313-A316 PolarHBondContact O-N 2.85Å
314	Y	83.5	Confident	91.5	Very high	155 Å²	155	49.4 Å²	49.4	61%	0.608	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.3	133.4	176.7	-173.1	-90.8	0	0	0	110.6	H310	H310-Y314 PolarHBondContact O-N 2.84Å; H310-Y314 VanDerWaalsContact O-N 3.13Å
315	P	91.6	Very high	91.7	Very high	91 Å²	91	46.6 Å²	46.6	59%	0.591	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	cis	-95.8	29.1	10.4	38.8	-37.5	0	0	0	114.9	R307	R307-P315 PolarHBondContact NH1-O 2.93Å
316	A	90.4	Very high	91.8	Very high	28 Å²	28	49.5 Å²	49.5	23%	0.231	25%	0.245	C	C	.	.			trans	-61.2	150.8	-179.8	0	0	0	0	0	113.5	R307 H310 S313	R307-A316 PolarHBondContact NH1-O 3.11Å; R307-A316 VanDerWaalsContact NH1-O 3.07Å; H310-A316 HydrophobicContact CB-CB 4.4Å; H310-A316 WeakPolarHBondContact CB-O 3.25Å; S313-A316 WeakPolarHBondContact O-CB 3.25Å; S313-A316 PolarHBondContact O-N 2.85Å
317	L	92.3	Very high	91.9	Very high	21 Å²	21	50.8 Å²	50.8	11%	0.11	26%	0.258	C	S	.	.			trans	-142.2	143.3	172.8	-72	175.4	0	0	0	108.5	D306 R307 P320	D306-L317 HydrophobicContact CB-CD2 4.01Å; R307-L317 HydrophobicContact CG-CD2 3.97Å; L317-P320 HydrophobicContact CB-CB 4.3Å; L317-P320 HydrophobicContact CD1-CB 4.46Å
318	K	92.2	Very high	92.1	Very high	31 Å²	31	47.3 Å²	47.3	14%	0.135	25%	0.245	C	C	.	.	S	Bend	trans	-77.8	-32.3	169	-176.2	178.8	179.7	-153.9	0	111.1	F249 F250 S280 D306 H310 P320	F249-K318 PolarHBondContact O-NZ 2.98Å; F250-K318 HydrophobicContact CD1-CD 4.43Å; F250-K318 HydrophobicContact CE1-CD 4.37Å; S280-K318 VanDerWaalsContact CB-O 3.22Å; S280-K318 WeakPolarHBondContact CB-O 3.49Å; S280-K318 PolarHBondContact N-O 2.87Å; D306-K318 WeakPolarHBondContact OD1-CB 3.35Å; D306-K318 PolarHBondContact OD1-N 3.3Å; D306-K318 PolarHBondContact OD2-N 2.83Å; D306-K318 VanDerWaalsContact OD2-N 3.16Å; H310-K318 PolarHBondContact CE1-N 3.46Å; K318-P320 VanDerWaalsContact C-CD 3.42Å; K318-P320 WeakPolarHBondContact O-CD 3.47Å
319	Y	93.7	Very high	92.5	Very high	14 Å²	14	45.7 Å²	45.7	6%	0.055	24%	0.235	C	C	.	.			trans	-123	72.5	-179.4	-59.2	-72.3	0	0	0	111.1	F249 F250 F284 D306 F321 V322	F249-Y319 HydrophobicContact CB-CD2 4.34Å; F249-Y319 HydrophobicContact CB-CE2 3.88Å; F249-Y319 AromaticContact CD1-CD1 3.69Å; F249-Y319 HydrophobicContact CD1-CD1 3.69Å; F249-Y319 AromaticContact CD1-CD2 3.61Å; F249-Y319 HydrophobicContact CD1-CD2 3.61Å; F249-Y319 AromaticContact CD1-CE1 3.8Å; F249-Y319 HydrophobicContact CD1-CE1 3.8Å; F249-Y319 AromaticContact CD1-CE2 3.71Å; F249-Y319 HydrophobicContact CD1-CE2 3.71Å; F249-Y319 AromaticContact CD1-CG 3.59Å; F249-Y319 HydrophobicContact CD1-CG 3.59Å; F249-Y319 AromaticContact CD1-CZ 3.83Å; F249-Y319 AromaticContact CE1-CD1 3.94Å; F249-Y319 HydrophobicContact CE1-CD1 3.94Å; F249-Y319 HydrophobicContact CE1-CD2 4.44Å; F249-Y319 HydrophobicContact CE1-CE1 4.33Å; F249-Y319 AromaticContact CE1-CG 4Å; F249-Y319 HydrophobicContact CE1-CG 4Å; F249-Y319 HydrophobicContact CG-CD2 4.44Å; F249-Y319 HydrophobicContact CG-CE2 4.31Å; F249-Y319 VanDerWaalsContact O-CE2 3.28Å; F249-Y319 WeakPolarHBondContact O-CE2 3.45Å; F249-Y319 VanDerWaalsContact O-CZ 3.28Å; F249-Y319 PolarHBondContact O-OH 2.79Å; F250-Y319 HydrophobicContact CD1-CE2 4.02Å; F250-Y319 AromaticContact CE1-CD2 3.75Å; F250-Y319 HydrophobicContact CE1-CD2 3.75Å; F250-Y319 AromaticContact CE1-CE2 3.58Å; F250-Y319 HydrophobicContact CE1-CE2 3.58Å; F250-Y319 AromaticContact CZ-CD2 3.83Å; F250-Y319 HydrophobicContact CZ-CD2 3.83Å; F250-Y319 AromaticContact CZ-CE2 3.99Å; F250-Y319 HydrophobicContact CZ-CE2 3.99Å; F284-Y319 HydrophobicContact CD2-CD1 4.4Å; F284-Y319 AromaticContact CE2-CD1 3.64Å; F284-Y319 HydrophobicContact CE2-CD1 3.64Å; F284-Y319 HydrophobicContact CE2-CE1 4.11Å; F284-Y319 HydrophobicContact CZ-CD1 4.17Å; F284-Y319 HydrophobicContact CZ-CE1 4.21Å; D306-Y319 PolarHBondContact OD2-N 3.15Å; Y319-F321 PolarHBondContact O-N 3.15Å; Y319-V322 WeakPolarHBondContact O-CG2 3.4Å
320	P	92.4	Very high	93	Very high	41 Å²	41	43 Å²	43	27%	0.266	22%	0.224	S	C	.	.			trans	-69.1	-31.5	-179	25.6	-32.5	0	0	0	113.3	P279 L317 K318 V322	P279-P320 HydrophobicContact CB-CG 3.95Å; L317-P320 HydrophobicContact CB-CB 4.3Å; L317-P320 HydrophobicContact CD1-CB 4.46Å; K318-P320 VanDerWaalsContact C-CD 3.42Å; K318-P320 WeakPolarHBondContact O-CD 3.47Å; P320-V322 PolarHBondContact O-N 3.43Å
321	F	93.3	Very high	93.5	Very high	61 Å²	61	43.8 Å²	43.8	27%	0.268	23%	0.232	S	C	.	.			trans	-98.2	63.8	-171.4	-52.5	-64	0	0	0	112.5	H214 F284 Y319 Y323	H214-F321 AromaticContact CE1-CD1 3.5Å; H214-F321 VanDerWaalsContact CE1-CD1 3.5Å; H214-F321 WeakPolarHBondContact CE1-CD1 3.38Å; H214-F321 AromaticContact CE1-CD2 3.21Å; H214-F321 WeakPolarHBondContact CE1-CD2 3.44Å; H214-F321 AromaticContact CE1-CE1 3.68Å; H214-F321 AromaticContact CE1-CE2 3.42Å; H214-F321 VanDerWaalsContact CE1-CE2 3.42Å; H214-F321 WeakPolarHBondContact CE1-CE2 3.46Å; H214-F321 AromaticContact CE1-CG 3.25Å; H214-F321 WeakPolarHBondContact CE1-CG 3.42Å; H214-F321 AromaticContact CE1-CZ 3.65Å; H214-F321 AromaticContact ND1-CD2 3.71Å; H214-F321 AromaticContact NE2-CD1 3.83Å; H214-F321 AromaticContact NE2-CG 3.9Å; F284-F321 PolarHBondContact N-O 3.03Å; Y319-F321 PolarHBondContact O-N 3.15Å; F321-Y323 HydrophobicContact CB-CE2 4.13Å
322	V	95.1	Very high	94.1	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	129.9	175.3	-172.8	0	0	0	0	108.5	P126 F284 L286 F299 L302 Y319 P320	P126-V322 VanDerWaalsContact CG-O 3.23Å; P126-V322 WeakPolarHBondContact CG-O 3.42Å; F284-V322 HydrophobicContact CB-CG1 4.31Å; F284-V322 HydrophobicContact CB-CG2 4.23Å; F284-V322 HydrophobicContact CD2-CG2 4.32Å; F284-V322 WeakPolarHBondContact O-CA 3.48Å; L286-V322 HydrophobicContact CD1-CG1 3.59Å; F299-V322 HydrophobicContact CD2-CB 4.29Å; F299-V322 HydrophobicContact CD2-CG1 3.71Å; F299-V322 HydrophobicContact CE2-CB 4.03Å; F299-V322 HydrophobicContact CE2-CG1 3.96Å; F299-V322 WeakPolarHBondContact CE2-O 3.28Å; L302-V322 HydrophobicContact CD1-CG1 4.42Å; L302-V322 HydrophobicContact CD2-CG2 4.07Å; Y319-V322 WeakPolarHBondContact O-CG2 3.4Å; P320-V322 PolarHBondContact O-N 3.43Å
323	Y	96.5	Very high	94.5	Very high	19 Å²	19	35 Å²	35	8%	0.075	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	162.1	-175.4	-62.6	-93.1	0	0	0	111.1	P126 I128 I205 L283 F284 V285 L286 F321	P126-Y323 HydrophobicContact CB-CD1 3.67Å; P126-Y323 HydrophobicContact CB-CE1 3.89Å; P126-Y323 HydrophobicContact CG-CD1 4.35Å; P126-Y323 CarbonylContact O-C 3.58Å; P126-Y323 WeakPolarHBondContact O-CA 3.41Å; I128-Y323 HydrophobicContact CD1-CD1 4.1Å; I128-Y323 HydrophobicContact CD1-CD2 3.87Å; I128-Y323 HydrophobicContact CD1-CG 3.53Å; I128-Y323 HydrophobicContact CG1-CD1 3.92Å; I128-Y323 HydrophobicContact CG1-CG 3.85Å; I205-Y323 HydrophobicContact CD1-CE1 4.19Å; L283-Y323 HydrophobicContact CD1-CD2 4.1Å; L283-Y323 HydrophobicContact CD1-CE2 3.69Å; L283-Y323 HydrophobicContact CD2-CD2 4.09Å; L283-Y323 HydrophobicContact CD2-CE2 4.5Å; L283-Y323 HydrophobicContact CG-CD2 3.91Å; L283-Y323 HydrophobicContact CG-CE2 3.88Å; F284-Y323 PolarHBondContact O-N 3.17Å; V285-Y323 WeakPolarHBondContact CA-O 3.32Å; L286-Y323 PolarHBondContact N-O 3.43Å; F321-Y323 HydrophobicContact CB-CE2 4.13Å
324	I	97.5	Very high	95	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132.4	172.4	-71.5	163.4	0	0	0	110.7	W125 P126 S127 I128 L286 P296 F299 R326	W125-I324 HydrophobicContact CB-CD1 3.91Å; W125-I324 HydrophobicContact CD2-CD1 3.79Å; W125-I324 HydrophobicContact CG-CB 4.48Å; W125-I324 HydrophobicContact CG-CD1 3.37Å; W125-I324 HydrophobicContact CG-CG1 4.39Å; P126-I324 PolarHBondContact O-N 2.81Å; S127-I324 CarbonylContact C-O 3.59Å; S127-I324 WeakPolarHBondContact CA-O 3.43Å; S127-I324 WeakPolarHBondContact CB-O 3.49Å; I128-I324 PolarHBondContact N-O 3.48Å; L286-I324 HydrophobicContact CB-CG1 4.4Å; L286-I324 CarbonylContact O-C 3.36Å; L286-I324 VanDerWaalsContact O-CA 3.3Å; L286-I324 WeakPolarHBondContact O-CA 3.25Å; P296-I324 HydrophobicContact CB-CD1 4.3Å; P296-I324 HydrophobicContact CG-CD1 4.11Å; F299-I324 HydrophobicContact CB-CD1 3.62Å; F299-I324 HydrophobicContact CB-CG1 4.27Å; F299-I324 HydrophobicContact CD1-CD1 4.36Å; F299-I324 HydrophobicContact CD2-CD1 4.3Å; F299-I324 HydrophobicContact CD2-CG1 4.49Å; F299-I324 HydrophobicContact CG-CD1 3.84Å; F299-I324 HydrophobicContact CG-CG1 4.47Å; I324-R326 PolarHBondContact O-N 2.83Å
325	L	97.7	Very high	95.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	116.9	174.9	-175.9	62.4	0	0	0	110.4	V130 L133 I233 V285 L286 H287 S291 G327 G328 F332	V130-L325 HydrophobicContact CG2-CD1 4.36Å; L133-L325 HydrophobicContact CB-CD1 4.08Å; L133-L325 HydrophobicContact CD2-CD1 3.71Å; L133-L325 HydrophobicContact CD2-CD2 3.83Å; L133-L325 HydrophobicContact CD2-CG 4.34Å; I233-L325 HydrophobicContact CD1-CD2 3.71Å; V285-L325 HydrophobicContact CG1-CB 3.94Å; L286-L325 PolarHBondContact O-N 2.94Å; H287-L325 HydrophobicContact CB-CB 3.65Å; H287-L325 HydrophobicContact CB-CD2 3.99Å; H287-L325 HydrophobicContact CB-CG 4.43Å; S291-L325 WeakPolarHBondContact CB-O 3.4Å; S291-L325 PolarHBondContact OG-O 3.47Å; L325-G327 PolarHBondContact O-N 3.16Å; L325-G328 PolarHBondContact O-N 2.92Å; L325-F332 HydrophobicContact CD2-CB 4.23Å; L325-F332 HydrophobicContact CD2-CD2 4.22Å; L325-F332 HydrophobicContact CD2-CG 4.49Å
326	R	96.1	Very high	95.9	Very high	117 Å²	117	36.5 Å²	36.5	44%	0.442	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	133.7	178.5	-170.7	178.9	-66.7	-91.4	-12	110.4	S123 I128 E129 V130 I324 G328	S123-R326 PolarHBondContact OG-NH2 2.85Å; I128-R326 PolarHBondContact O-N 3.42Å; E129-R326 VanDerWaalsContact OE1-CD 3.31Å; E129-R326 WeakPolarHBondContact OE1-CD 3.43Å; E129-R326 IonicContact OE1-CZ 2.71Å; E129-R326 IonicContact OE1-NE 2.85Å; E129-R326 PolarHBondContact OE1-NE 2.96Å; E129-R326 WeakPolarHBondContact OE2-CD 3.32Å; E129-R326 IonicContact OE2-NE 3.6Å; V130-R326 VanDerWaalsContact CG2-O 3.31Å; V130-R326 WeakPolarHBondContact CG2-O 3.4Å; I324-R326 PolarHBondContact O-N 2.83Å; R326-G328 PolarHBondContact O-N 2.76Å
327	G	95.8	Very high	96.3	Very high	27 Å²	27	37.4 Å²	37.4	28%	0.278	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	-5.1	-179.7	0	0	0	0	0	115.4	F290 L325 A331	F290-G327 CarbonylContact O-C 3.49Å; L325-G327 PolarHBondContact O-N 3.16Å; G327-A331 WeakPolarHBondContact O-CB 3.28Å; G327-A331 PolarHBondContact O-N 2.88Å
328	G	97.7	Very high	96.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	60.6	-159.5	175.5	0	0	0	0	0	114.6	C288 E289 S291 L325 R326 S330 A331 F332	C288-G328 WeakPolarHBondContact O-CA 3.45Å; E289-G328 CarbonylContact O-C 3.45Å; S291-G328 WeakPolarHBondContact OG-CA 3.44Å; S291-G328 PolarHBondContact OG-N 2.87Å; L325-G328 PolarHBondContact O-N 2.92Å; R326-G328 PolarHBondContact O-N 2.76Å; G328-S330 VanDerWaalsContact C-N 3.25Å; G328-S330 PolarHBondContact O-N 3.45Å; G328-A331 PolarHBondContact O-N 3.43Å; G328-F332 WeakPolarHBondContact O-CB 3.35Å; G328-F332 PolarHBondContact O-N 2.94Å; G328-F332 VanDerWaalsContact O-N 3.13Å
329	Y	98.6	Very high	96.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.4	-33.4	179.6	-170	-109.6	0	0	0	112.4	R223 G231 H232 I233 C288 E289 A331 F332 F333 C340 N344 Y345	R223-Y329 VanDerWaalsContact NH1-CD1 3.32Å; G231-Y329 WeakPolarHBondContact O-CE1 3.43Å; G231-Y329 VanDerWaalsContact O-CZ 3.24Å; G231-Y329 PolarHBondContact O-OH 2.69Å; H232-Y329 VanDerWaalsContact C-CE2 3.41Å; H232-Y329 PolarHBondContact N-OH 3.08Å; I233-Y329 HydrophobicContact CD1-CD2 4.43Å; I233-Y329 HydrophobicContact CG1-CD2 3.69Å; I233-Y329 HydrophobicContact CG1-CE2 3.84Å; C288-Y329 PolarHBondContact O-N 2.98Å; E289-Y329 PolarHBondContact O-N 2.98Å; Y329-A331 PolarHBondContact O-N 3.11Å; Y329-F332 PolarHBondContact O-N 3.4Å; Y329-F333 HydrophobicContact CD1-CB 4.42Å; Y329-F333 HydrophobicContact CE1-CB 4.09Å; Y329-F333 HydrophobicContact CE1-CD2 4.42Å; Y329-F333 HydrophobicContact CE1-CG 4.37Å; Y329-F333 VanDerWaalsContact O-CB 3.24Å; Y329-F333 WeakPolarHBondContact O-CB 3.13Å; Y329-F333 PolarHBondContact O-N 3.29Å; Y329-C340 HydrophobicContact CE2-CB 4.42Å; Y329-C340 WeakPolarHBondContact OH-CB 3.44Å; Y329-N344 PolarHBondContact OH-O 3.16Å; Y329-N344 VanDerWaalsContact OH-O 3.07Å; Y329-Y345 AromaticContact CD1-CD2 3.6Å; Y329-Y345 HydrophobicContact CD1-CD2 3.6Å; Y329-Y345 AromaticContact CD1-CE2 3.98Å; Y329-Y345 HydrophobicContact CD1-CE2 3.98Å; Y329-Y345 HydrophobicContact CD1-CG 4.45Å; Y329-Y345 AromaticContact CE1-CD2 3.76Å; Y329-Y345 HydrophobicContact CE1-CD2 3.76Å; Y329-Y345 HydrophobicContact CE1-CG 4.33Å
330	S	97.8	Very high	96.9	Very high	33 Å²	33	40.8 Å²	40.8	23%	0.231	21%	0.207	C	C	.	.	H	α-helix	trans	-60.1	-48.4	179.1	-176	0	0	0	0	112.2	E289 G328 K334 Y345	E289-S330 VanDerWaalsContact O-CB 3.31Å; E289-S330 WeakPolarHBondContact O-CB 3.44Å; E289-S330 PolarHBondContact O-N 3.33Å; G328-S330 VanDerWaalsContact C-N 3.25Å; G328-S330 PolarHBondContact O-N 3.45Å; S330-K334 WeakPolarHBondContact O-CB 3.48Å; S330-K334 PolarHBondContact O-N 2.89Å; S330-Y345 WeakPolarHBondContact CB-OH 3.43Å; S330-Y345 PolarHBondContact OG-OH 3.28Å
331	A	98.1	Very high	97	Very high	31 Å²	31	43.9 Å²	43.9	26%	0.256	22%	0.218	S	C	.	.	H	α-helix	trans	-70.2	-39.3	177.4	0	0	0	0	0	111.8	V130 G327 G328 Y329 N335	V130-A331 HydrophobicContact CG2-CB 3.93Å; G327-A331 WeakPolarHBondContact O-CB 3.28Å; G327-A331 PolarHBondContact O-N 2.88Å; G328-A331 PolarHBondContact O-N 3.43Å; Y329-A331 PolarHBondContact O-N 3.11Å; A331-N335 PolarHBondContact O-N 3.3Å
332	F	98.4	Very high	97.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.5	-51.4	179.3	-171.5	-84.9	0	0	0	112.4	V130 L133 A134 L137 I233 L325 G328 Y329 K334 N335 Y336 L339	V130-F332 HydrophobicContact CG1-CB 4.28Å; V130-F332 HydrophobicContact CG1-CD2 3.89Å; V130-F332 HydrophobicContact CG1-CG 4.4Å; L133-F332 HydrophobicContact CB-CE2 4.44Å; L133-F332 HydrophobicContact CD2-CD2 4.31Å; L133-F332 HydrophobicContact CD2-CE2 4.08Å; L133-F332 HydrophobicContact CG-CE2 4.19Å; A134-F332 HydrophobicContact CB-CE2 4.18Å; L137-F332 HydrophobicContact CD1-CE2 4.15Å; L137-F332 HydrophobicContact CD1-CZ 3.68Å; I233-F332 HydrophobicContact CB-CE1 4.32Å; I233-F332 HydrophobicContact CD1-CB 4.25Å; I233-F332 HydrophobicContact CD1-CD1 3.78Å; I233-F332 HydrophobicContact CD1-CD2 3.93Å; I233-F332 HydrophobicContact CD1-CE1 4.09Å; I233-F332 HydrophobicContact CD1-CE2 4.24Å; I233-F332 HydrophobicContact CD1-CG 3.7Å; I233-F332 HydrophobicContact CD1-CZ 4.32Å; I233-F332 HydrophobicContact CG1-CD1 3.68Å; I233-F332 HydrophobicContact CG1-CE1 3.85Å; I233-F332 HydrophobicContact CG1-CG 4.14Å; I233-F332 HydrophobicContact CG1-CZ 4.45Å; I233-F332 HydrophobicContact CG2-CD1 4.49Å; I233-F332 HydrophobicContact CG2-CE1 3.8Å; I233-F332 HydrophobicContact CG2-CZ 3.82Å; L325-F332 HydrophobicContact CD2-CB 4.23Å; L325-F332 HydrophobicContact CD2-CD2 4.22Å; L325-F332 HydrophobicContact CD2-CG 4.49Å; G328-F332 WeakPolarHBondContact O-CB 3.35Å; G328-F332 PolarHBondContact O-N 2.94Å; G328-F332 VanDerWaalsContact O-N 3.13Å; Y329-F332 PolarHBondContact O-N 3.4Å; F332-K334 VanDerWaalsContact C-N 3.29Å; F332-K334 PolarHBondContact O-N 2.74Å; F332-N335 PolarHBondContact O-N 2.95Å; F332-Y336 PolarHBondContact O-N 3.44Å; F332-L339 HydrophobicContact CE1-CB 3.89Å; F332-L339 HydrophobicContact CZ-CB 3.93Å; F332-L339 HydrophobicContact CZ-CD1 4.05Å
333	F	98.3	Very high	97.2	Very high	43 Å²	43	47.8 Å²	47.8	19%	0.189	25%	0.251	C	S	.	.	H	α-helix	trans	-62.4	-36.2	-179.6	-178.8	-101	0	0	0	112.2	Y329 N335 P337 C340 Y345	Y329-F333 HydrophobicContact CD1-CB 4.42Å; Y329-F333 HydrophobicContact CE1-CB 4.09Å; Y329-F333 HydrophobicContact CE1-CD2 4.42Å; Y329-F333 HydrophobicContact CE1-CG 4.37Å; Y329-F333 VanDerWaalsContact O-CB 3.24Å; Y329-F333 WeakPolarHBondContact O-CB 3.13Å; Y329-F333 PolarHBondContact O-N 3.29Å; F333-N335 VanDerWaalsContact C-N 3.29Å; F333-N335 PolarHBondContact O-N 3.29Å; F333-P337 HydrophobicContact CD2-CB 4.15Å; F333-P337 HydrophobicContact CE2-CB 3.82Å; F333-P337 HydrophobicContact CZ-CB 4.15Å; F333-P337 VanDerWaalsContact O-CD 3.28Å; F333-P337 WeakPolarHBondContact O-CD 3.49Å; F333-C340 HydrophobicContact CD2-CB 4.06Å; F333-C340 HydrophobicContact CE2-CB 4.41Å; F333-Y345 VanDerWaalsContact CD1-CB 3.47Å; F333-Y345 HydrophobicContact CD1-CD1 4.32Å; F333-Y345 HydrophobicContact CD1-CG 4.16Å
334	K	98	Very high	97.2	Very high	171 Å²	171	51.1 Å²	51.1	74%	0.743	27%	0.27	S	S	*	.	H	α-helix	trans	-58	-40.4	176.3	-177.2	-178.2	177.2	-176.4	0	112.4	S330 F332	S330-K334 WeakPolarHBondContact O-CB 3.48Å; S330-K334 PolarHBondContact O-N 2.89Å; F332-K334 VanDerWaalsContact C-N 3.29Å; F332-K334 PolarHBondContact O-N 2.74Å
335	N	97.3	Very high	97.2	Very high	85 Å²	85	53.2 Å²	53.2	46%	0.455	28%	0.279	S	S	.	.	H	α-helix	trans	-94	-34.7	-175.1	-66.2	-9.7	0	0	0	112.7	V130 A331 F332 F333	V130-N335 HydrophobicContact CG1-CB 4.45Å; A331-N335 PolarHBondContact O-N 3.3Å; F332-N335 PolarHBondContact O-N 2.95Å; F333-N335 VanDerWaalsContact C-N 3.29Å; F333-N335 PolarHBondContact O-N 3.29Å
336	Y	97.6	Very high	97	Very high	43 Å²	43	55 Å²	55	17%	0.169	29%	0.288	C	S	.	.			trans	-132.3	57.8	-171.8	-59	-84	0	0	0	113	V130 D131 A134 F332 H338 L339	V130-Y336 HydrophobicContact CG1-CD2 3.83Å; V130-Y336 HydrophobicContact CG1-CE2 3.86Å; D131-Y336 WeakPolarHBondContact OD1-CE2 3.14Å; D131-Y336 PolarHBondContact OD1-OH 2.98Å; A134-Y336 HydrophobicContact CB-CD1 3.72Å; A134-Y336 HydrophobicContact CB-CD2 3.57Å; A134-Y336 HydrophobicContact CB-CE1 3.61Å; A134-Y336 HydrophobicContact CB-CE2 3.47Å; A134-Y336 VanDerWaalsContact CB-CE2 3.47Å; A134-Y336 HydrophobicContact CB-CG 3.7Å; A134-Y336 VanDerWaalsContact CB-CZ 3.48Å; F332-Y336 PolarHBondContact O-N 3.44Å; Y336-H338 AromaticContact CD1-CE1 3.81Å; Y336-H338 PolarHBondContact O-N 2.79Å; Y336-L339 HydrophobicContact CD1-CD1 4.14Å; Y336-L339 HydrophobicContact CG-CD1 4.24Å; Y336-L339 PolarHBondContact O-N 2.95Å
337	P	97.3	Very high	96.9	Very high	47 Å²	47	53.8 Å²	53.8	31%	0.305	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-62.3	-31	-177.7	25.4	-33.9	0	0	0	112.7	F333 L339 C340 S343	F333-P337 HydrophobicContact CD2-CB 4.15Å; F333-P337 HydrophobicContact CE2-CB 3.82Å; F333-P337 HydrophobicContact CZ-CB 4.15Å; F333-P337 VanDerWaalsContact O-CD 3.28Å; F333-P337 WeakPolarHBondContact O-CD 3.49Å; P337-L339 PolarHBondContact O-N 2.79Å; P337-C340 WeakPolarHBondContact O-CB 3.5Å; P337-C340 PolarHBondContact O-N 3.5Å; P337-S343 PolarHBondContact O-OG 3.24Å
338	H	96.4	Very high	96.6	Very high	120 Å²	120	54.1 Å²	54.1	56%	0.556	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-68.6	-11.2	177	65.1	-85.4	0	0	0	114.3	Y336 C340	Y336-H338 AromaticContact CD1-CE1 3.81Å; Y336-H338 PolarHBondContact O-N 2.79Å; H338-C340 VanDerWaalsContact C-N 3.35Å
339	L	96.6	Very high	96	Very high	4 Å²	4	59 Å²	59	2%	0.021	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-96.2	13.4	172.4	-61.8	-178.4	0	0	0	112.3	A134 L137 I138 K141 Y234 F332 Y336 P337	A134-L339 HydrophobicContact CB-CD1 3.96Å; L137-L339 HydrophobicContact CB-CD1 4.19Å; L137-L339 HydrophobicContact CD1-CD1 4.46Å; I138-L339 HydrophobicContact CD1-CD1 4.34Å; I138-L339 HydrophobicContact CG1-CD1 4.03Å; I138-L339 HydrophobicContact CG1-CD2 4.18Å; K141-L339 HydrophobicContact CD-CD2 4.22Å; Y234-L339 WeakPolarHBondContact CB-O 3.48Å; Y234-L339 PolarHBondContact N-O 3Å; F332-L339 HydrophobicContact CE1-CB 3.89Å; F332-L339 HydrophobicContact CZ-CB 3.93Å; F332-L339 HydrophobicContact CZ-CD1 4.05Å; Y336-L339 HydrophobicContact CD1-CD1 4.14Å; Y336-L339 HydrophobicContact CG-CD1 4.24Å; Y336-L339 PolarHBondContact O-N 2.95Å; P337-L339 PolarHBondContact O-N 2.79Å
340	C	97.5	Very high	95.1	Very high	12 Å²	12	61.7 Å²	61.7	8%	0.081	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	150.5	-179.5	-60.4	0	0	0	0	112.4	H232 Y329 F333 P337 H338	H232-C340 CarbonylContact O-C 3.45Å; H232-C340 WeakPolarHBondContact O-CA 3.38Å; H232-C340 VanDerWaalsContact O-CB 3.31Å; H232-C340 WeakPolarHBondContact O-CB 3.5Å; Y329-C340 HydrophobicContact CE2-CB 4.42Å; Y329-C340 WeakPolarHBondContact OH-CB 3.44Å; F333-C340 HydrophobicContact CD2-CB 4.06Å; F333-C340 HydrophobicContact CE2-CB 4.41Å; P337-C340 WeakPolarHBondContact O-CB 3.5Å; P337-C340 PolarHBondContact O-N 3.5Å; H338-C340 VanDerWaalsContact C-N 3.35Å
341	E	94.9	Very high	94	Very high	106 Å²	106	64.2 Å²	64.2	50%	0.495	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	122	-177.8	-172.7	169.2	-172.1	0	0	111	H232 Y234	H232-E341 PolarHBondContact CE1-O 3.01Å; H232-E341 PolarHBondContact N-O 3.02Å; H232-E341 VanDerWaalsContact N-O 3.09Å; H232-E341 PolarHBondContact ND1-O 3.45Å; H232-E341 PolarHBondContact NE2-O 3.08Å; H232-E341 PolarHBondContact O-N 3.1Å; Y234-E341 WeakPolarHBondContact CD2-OE2 3.47Å
342	P	97	Very high	92.7	Very high	69 Å²	69	67.6 Å²	67.6	45%	0.448	35%	0.347	S	S	.	.	S	Bend	cis	-49.4	154.6	-26.4	-23.4	34.1	0	0	0	112.1	G231 N344	G231-P342 VanDerWaalsContact CA-O 3.26Å; G231-P342 WeakPolarHBondContact CA-O 3.24Å; P342-N344 PolarHBondContact O-N 2.84Å
343	S	96.5	Very high	91.7	Very high	75 Å²	75	71 Å²	71	52%	0.524	37%	0.365	S	S	.	.	S	Bend	trans	-74.8	70.1	175	173.4	0	0	0	0	110.5	P337	P337-S343 PolarHBondContact O-OG 3.24Å
344	N	96.7	Very high	90.7	Very high	90 Å²	90	69.3 Å²	69.3	48%	0.481	36%	0.358	S	S	.	.			trans	-149.6	162	-178.8	-176.9	27.8	0	0	0	110	A230 G231 Y329 P342	A230-N344 WeakPolarHBondContact O-CB 3.26Å; G231-N344 WeakPolarHBondContact CA-O 3.44Å; Y329-N344 PolarHBondContact OH-O 3.16Å; Y329-N344 VanDerWaalsContact OH-O 3.07Å; P342-N344 PolarHBondContact O-N 2.84Å
345	Y	96.8	Very high	89.6	Confident	45 Å²	45	63.7 Å²	63.7	18%	0.176	34%	0.336	C	S	.	.			trans	-134.3	111.6	-179.2	173	-142.1	0	0	0	110.9	E289 Y329 S330 F333 Q347	E289-Y345 HydrophobicContact CG-CE2 4.08Å; E289-Y345 WeakPolarHBondContact CG-OH 3.44Å; E289-Y345 PolarHBondContact OE1-OH 3.06Å; Y329-Y345 AromaticContact CD1-CD2 3.6Å; Y329-Y345 HydrophobicContact CD1-CD2 3.6Å; Y329-Y345 AromaticContact CD1-CE2 3.98Å; Y329-Y345 HydrophobicContact CD1-CE2 3.98Å; Y329-Y345 HydrophobicContact CD1-CG 4.45Å; Y329-Y345 AromaticContact CE1-CD2 3.76Å; Y329-Y345 HydrophobicContact CE1-CD2 3.76Å; Y329-Y345 HydrophobicContact CE1-CG 4.33Å; S330-Y345 WeakPolarHBondContact CB-OH 3.43Å; S330-Y345 PolarHBondContact OG-OH 3.28Å; F333-Y345 VanDerWaalsContact CD1-CB 3.47Å; F333-Y345 HydrophobicContact CD1-CD1 4.32Å; F333-Y345 HydrophobicContact CD1-CG 4.16Å; Y345-Q347 HydrophobicContact CE1-CG 3.97Å; Y345-Q347 HydrophobicContact CE2-CG 4.3Å
346	L	94.3	Very high	88.7	Confident	38 Å²	38	61.6 Å²	61.6	20%	0.199	33%	0.334	C	S	.	.			trans	-103.4	119.8	172	-173.4	65	0	0	0	109.8	Y226 A230 R351	Y226-L346 HydrophobicContact CD2-CD2 3.9Å; A230-L346 HydrophobicContact CB-CB 3.43Å; A230-L346 VanDerWaalsContact CB-CB 3.43Å; A230-L346 HydrophobicContact CB-CD2 3.69Å; A230-L346 HydrophobicContact CB-CG 4.21Å; L346-R351 HydrophobicContact CD2-CG 4.4Å
347	Q	94	Very high	87.8	Confident	90 Å²	90	62.5 Å²	62.5	42%	0.421	34%	0.342	S	S	.	.			trans	-74.1	153.2	174.8	-57.9	-179.6	-11.1	0	0	110.6	E289 Y345 H349 S350	E289-Q347 VanDerWaalsContact OE1-CA 3.29Å; E289-Q347 WeakPolarHBondContact OE1-CA 3.22Å; E289-Q347 WeakPolarHBondContact OE1-CB 3.44Å; E289-Q347 WeakPolarHBondContact OE1-CG 3.42Å; Y345-Q347 HydrophobicContact CE1-CG 3.97Å; Y345-Q347 HydrophobicContact CE2-CG 4.3Å; Q347-H349 PolarHBondContact O-N 3.07Å; Q347-H349 VanDerWaalsContact O-N 3.17Å; Q347-S350 WeakPolarHBondContact CB-OG 3.39Å; Q347-S350 PolarHBondContact O-N 2.86Å; Q347-S350 VanDerWaalsContact O-N 3.15Å
348	M	89.4	Confident	86.6	Confident	35 Å²	35	61.2 Å²	61.2	17%	0.172	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-44	178.2	178	-177.7	144.7	0	0	111.8	Y224 Y226 E289 W358	Y224-M348 HydrophobicContact CD2-CG 4.42Å; Y224-M348 HydrophobicContact CE2-CE 4.41Å; Y224-M348 HydrophobicContact CE2-CG 4.27Å; Y224-M348 HydrophobicContact CE2-SD 4.31Å; Y226-M348 PolarHBondContact OH-O 2.94Å; E289-M348 PolarHBondContact OE1-N 3.38Å; E289-M348 WeakPolarHBondContact OE2-CB 3.27Å; E289-M348 PolarHBondContact OE2-N 3.19Å; M348-W358 HydrophobicContact CB-CH2 4.39Å; M348-W358 HydrophobicContact CE-CH2 3.75Å; M348-W358 HydrophobicContact CE-CZ3 3.55Å; M348-W358 HydrophobicContact CG-CH2 3.35Å; M348-W358 HydrophobicContact CG-CZ3 3.63Å; M348-W358 WeakPolarHBondContact O-CH2 3.2Å; M348-W358 WeakPolarHBondContact O-CZ3 3.45Å; M348-W358 HydrophobicContact SD-CH2 4.42Å; M348-W358 HydrophobicContact SD-CZ3 4.48Å
349	H	84.1	Confident	85.8	Confident	102 Å²	102	63.5 Å²	63.5	47%	0.472	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	8.9	-174.5	-59.7	79.8	0	0	0	115	Q347 L355 W358	Q347-H349 PolarHBondContact O-N 3.07Å; Q347-H349 VanDerWaalsContact O-N 3.17Å; H349-L355 VanDerWaalsContact O-CD2 3.22Å; H349-L355 WeakPolarHBondContact O-CD2 3.34Å; H349-W358 HydrophobicContact CB-CE3 4.43Å; H349-W358 HydrophobicContact CB-CZ3 4.15Å; H349-W358 AromaticContact CD2-CE3 3.27Å; H349-W358 AromaticContact CD2-CZ3 3.27Å; H349-W358 WeakPolarHBondContact CD2-CZ3 3.43Å; H349-W358 AromaticContact CE1-CZ3 3.91Å; H349-W358 AromaticContact CG-CE3 3.9Å; H349-W358 AromaticContact CG-CZ3 3.52Å; H349-W358 AromaticContact ND1-CZ3 3.92Å; H349-W358 AromaticContact NE2-CE3 3.74Å; H349-W358 AromaticContact NE2-CZ3 3.53Å
350	S	79.5	Confident	85.1	Confident	56 Å²	56	70.8 Å²	70.8	39%	0.392	37%	0.366	S	S	.	.			trans	-86.3	-5.4	-172.3	-73.9	0	0	0	0	115.2	Q347 P352	Q347-S350 WeakPolarHBondContact CB-OG 3.39Å; Q347-S350 PolarHBondContact O-N 2.86Å; Q347-S350 VanDerWaalsContact O-N 3.15Å; S350-P352 WeakPolarHBondContact O-CD 3.26Å
351	R	74.9	Confident	84.2	Confident	86 Å²	86	73.1 Å²	73.1	33%	0.325	38%	0.375	S	S	.	.			trans	-80.1	107.5	-178.5	-83.2	-71.1	-67.2	-115.2	-3.6	111.3	Y226 L346 D353 L354 L355	Y226-R351 HydrophobicContact CD2-CG 4.07Å; Y226-R351 HydrophobicContact CE2-CG 4.16Å; L346-R351 HydrophobicContact CD2-CG 4.4Å; R351-D353 VanDerWaalsContact C-N 3.27Å; R351-D353 WeakPolarHBondContact CB-OD1 3.45Å; R351-D353 IonicContact CZ-OD1 3.78Å; R351-D353 IonicContact CZ-OD2 3.9Å; R351-D353 IonicContact NE-OD1 2.78Å; R351-D353 PolarHBondContact NE-OD1 3.3Å; R351-D353 IonicContact NE-OD2 3.25Å; R351-D353 PolarHBondContact NE-OD2 2.88Å; R351-D353 IonicContact NH2-OD1 3.77Å; R351-D353 IonicContact NH2-OD2 3.69Å; R351-D353 PolarHBondContact NH2-OD2 3.21Å; R351-D353 PolarHBondContact O-N 3.13Å; R351-L354 HydrophobicContact CB-CB 3.9Å; R351-L354 HydrophobicContact CB-CD1 3.86Å; R351-L354 HydrophobicContact CB-CG 3.93Å; R351-L354 HydrophobicContact CG-CD1 4.24Å; R351-L354 PolarHBondContact O-N 3.04Å; R351-L355 WeakPolarHBondContact O-CG 3.5Å; R351-L355 PolarHBondContact O-N 3.07Å
352	P	70.4	Confident	83.4	Confident	103 Å²	103	70.9 Å²	70.9	67%	0.669	37%	0.371	S	S	*	.	H	α-helix	trans	-63.8	-32.9	-173.9	-21	34.4	0	0	0	113.5	S350 L354 L355	S350-P352 WeakPolarHBondContact O-CD 3.26Å; P352-L354 VanDerWaalsContact C-N 3.26Å; P352-L354 PolarHBondContact O-N 3.15Å; P352-L355 PolarHBondContact O-N 3.32Å
353	D	78.7	Confident	82.6	Confident	70 Å²	70	71.3 Å²	71.3	37%	0.374	38%	0.375	S	S	.	.	H	α-helix	trans	-64.7	-31.1	175.1	60.5	-49.3	0	0	0	112.3	R351	R351-D353 VanDerWaalsContact C-N 3.27Å; R351-D353 WeakPolarHBondContact CB-OD1 3.45Å; R351-D353 IonicContact CZ-OD1 3.78Å; R351-D353 IonicContact CZ-OD2 3.9Å; R351-D353 IonicContact NE-OD1 2.78Å; R351-D353 PolarHBondContact NE-OD1 3.3Å; R351-D353 IonicContact NE-OD2 3.25Å; R351-D353 PolarHBondContact NE-OD2 2.88Å; R351-D353 IonicContact NH2-OD1 3.77Å; R351-D353 IonicContact NH2-OD2 3.69Å; R351-D353 PolarHBondContact NH2-OD2 3.21Å; R351-D353 PolarHBondContact O-N 3.13Å
354	L	76.1	Confident	81.8	Confident	8 Å²	8	73.1 Å²	73.1	4%	0.042	38%	0.377	C	S	.	.	H	α-helix	trans	-87.9	-25.2	178	-66	-175.9	0	0	0	113.1	N17 Y226 R351 P352 G356 I357 W358	N17-L354 HydrophobicContact CB-CD2 4.21Å; N17-L354 WeakPolarHBondContact OD1-CD2 3.37Å; Y226-L354 HydrophobicContact CE1-CD1 4.42Å; R351-L354 HydrophobicContact CB-CB 3.9Å; R351-L354 HydrophobicContact CB-CD1 3.86Å; R351-L354 HydrophobicContact CB-CG 3.93Å; R351-L354 HydrophobicContact CG-CD1 4.24Å; R351-L354 PolarHBondContact O-N 3.04Å; P352-L354 VanDerWaalsContact C-N 3.26Å; P352-L354 PolarHBondContact O-N 3.15Å; L354-G356 PolarHBondContact O-N 3.23Å; L354-G356 VanDerWaalsContact O-N 3.13Å; L354-I357 HydrophobicContact CD2-CD1 4.3Å; L354-I357 PolarHBondContact O-N 2.82Å; L354-W358 HydrophobicContact CB-CG 4.47Å; L354-W358 HydrophobicContact CD1-CZ2 4.39Å; L354-W358 WeakPolarHBondContact O-CB 3.29Å; L354-W358 PolarHBondContact O-N 2.84Å
355	L	75.3	Confident	80.8	Confident	54 Å²	54	71.1 Å²	71.1	28%	0.283	37%	0.368	S	S	.	.	H	α-helix	trans	-51.1	-42.6	-177.5	-74.7	179.7	0	0	0	113.2	H349 R351 P352 I357 W358 R359	H349-L355 VanDerWaalsContact O-CD2 3.22Å; H349-L355 WeakPolarHBondContact O-CD2 3.34Å; R351-L355 WeakPolarHBondContact O-CG 3.5Å; R351-L355 PolarHBondContact O-N 3.07Å; P352-L355 PolarHBondContact O-N 3.32Å; L355-I357 VanDerWaalsContact C-N 3.33Å; L355-I357 PolarHBondContact O-N 2.89Å; L355-W358 PolarHBondContact O-N 2.73Å; L355-R359 WeakPolarHBondContact O-CB 3.39Å; L355-R359 VanDerWaalsContact O-CG 3.23Å; L355-R359 WeakPolarHBondContact O-CG 3.12Å; L355-R359 PolarHBondContact O-N 3.22Å
356	G	77.9	Confident	79.8	Confident	40 Å²	40	73.2 Å²	73.2	41%	0.412	38%	0.382	S	S	.	.	H	α-helix	trans	-63.5	-40.4	180	0	0	0	0	0	112.4	L354 K360	L354-G356 PolarHBondContact O-N 3.23Å; L354-G356 VanDerWaalsContact O-N 3.13Å; G356-K360 WeakPolarHBondContact O-CG 3.21Å; G356-K360 PolarHBondContact O-N 3.47Å
357	I	78.8	Confident	79	Confident	63 Å²	63	79.6 Å²	79.6	32%	0.323	40%	0.403	S	S	.	.	H	α-helix	trans	-74.8	-39.4	-180	-46.2	169.6	0	0	0	110.5	L21 L354 L355 K360 H361	L21-I357 HydrophobicContact CD1-CB 3.95Å; L21-I357 HydrophobicContact CD1-CD1 4.05Å; L21-I357 HydrophobicContact CD1-CG2 3.12Å; L21-I357 HydrophobicContact CD2-CG2 4.41Å; L21-I357 HydrophobicContact CG-CG2 4.38Å; L354-I357 HydrophobicContact CD2-CD1 4.3Å; L354-I357 PolarHBondContact O-N 2.82Å; L355-I357 VanDerWaalsContact C-N 3.33Å; L355-I357 PolarHBondContact O-N 2.89Å; I357-K360 WeakPolarHBondContact O-CB 3.42Å; I357-K360 PolarHBondContact O-N 2.85Å; I357-H361 PolarHBondContact O-N 3.27Å
358	W	73.2	Confident	78	Confident	19 Å²	19	80.4 Å²	80.4	7%	0.072	41%	0.407	C	S	.	.	H	α-helix	trans	-64.6	-44.4	179	-74	33.8	0	0	0	111.4	Y226 M348 H349 L354 L355 K360 H361 C362	Y226-W358 WeakPolarHBondContact OH-CH2 3.35Å; Y226-W358 WeakPolarHBondContact OH-CZ2 3.44Å; M348-W358 HydrophobicContact CB-CH2 4.39Å; M348-W358 HydrophobicContact CE-CH2 3.75Å; M348-W358 HydrophobicContact CE-CZ3 3.55Å; M348-W358 HydrophobicContact CG-CH2 3.35Å; M348-W358 HydrophobicContact CG-CZ3 3.63Å; M348-W358 WeakPolarHBondContact O-CH2 3.2Å; M348-W358 WeakPolarHBondContact O-CZ3 3.45Å; M348-W358 HydrophobicContact SD-CH2 4.42Å; M348-W358 HydrophobicContact SD-CZ3 4.48Å; H349-W358 HydrophobicContact CB-CE3 4.43Å; H349-W358 HydrophobicContact CB-CZ3 4.15Å; H349-W358 AromaticContact CD2-CE3 3.27Å; H349-W358 AromaticContact CD2-CZ3 3.27Å; H349-W358 WeakPolarHBondContact CD2-CZ3 3.43Å; H349-W358 AromaticContact CE1-CZ3 3.91Å; H349-W358 AromaticContact CG-CE3 3.9Å; H349-W358 AromaticContact CG-CZ3 3.52Å; H349-W358 AromaticContact ND1-CZ3 3.92Å; H349-W358 AromaticContact NE2-CE3 3.74Å; H349-W358 AromaticContact NE2-CZ3 3.53Å; L354-W358 HydrophobicContact CB-CG 4.47Å; L354-W358 HydrophobicContact CD1-CZ2 4.39Å; L354-W358 WeakPolarHBondContact O-CB 3.29Å; L354-W358 PolarHBondContact O-N 2.84Å; L355-W358 PolarHBondContact O-N 2.73Å; W358-K360 VanDerWaalsContact C-N 3.29Å; W358-K360 PolarHBondContact O-N 3.47Å; W358-H361 PolarHBondContact O-N 3.33Å; W358-C362 WeakPolarHBondContact O-CB 3.25Å; W358-C362 PolarHBondContact O-N 2.79Å; W358-C362 PolarHBondContact O-SG 3.36Å
359	R	79.9	Confident	77	Confident	168 Å²	168	83 Å²	83	63%	0.634	42%	0.421	S	S	*	.	H	α-helix	trans	-57.9	-41.5	173	-74.3	175.2	-168.9	162.5	3.9	112	L355 S363	L355-R359 WeakPolarHBondContact O-CB 3.39Å; L355-R359 VanDerWaalsContact O-CG 3.23Å; L355-R359 WeakPolarHBondContact O-CG 3.12Å; L355-R359 PolarHBondContact O-N 3.22Å; R359-S363 VanDerWaalsContact O-CB 3.31Å; R359-S363 WeakPolarHBondContact O-CB 3.42Å; R359-S363 PolarHBondContact O-N 3.36Å; R359-S363 PolarHBondContact O-OG 3.35Å
360	K	80.8	Confident	76.3	Confident	157 Å²	157	82.6 Å²	82.6	68%	0.683	42%	0.422	S	S	*	.	H	α-helix	trans	-64.1	-45.7	176	-74	176.3	-178.6	180	0	111.5	G356 I357 W358 S363 M364	G356-K360 WeakPolarHBondContact O-CG 3.21Å; G356-K360 PolarHBondContact O-N 3.47Å; I357-K360 WeakPolarHBondContact O-CB 3.42Å; I357-K360 PolarHBondContact O-N 2.85Å; W358-K360 VanDerWaalsContact C-N 3.29Å; W358-K360 PolarHBondContact O-N 3.47Å; K360-S363 PolarHBondContact O-N 3.36Å; K360-M364 WeakPolarHBondContact O-CB 3.4Å; K360-M364 PolarHBondContact O-N 2.65Å
361	H	78.5	Confident	75.9	Confident	62 Å²	62	85.3 Å²	85.3	29%	0.287	43%	0.432	S	S	.	.	H	α-helix	trans	-62.6	-50.6	177.8	-179.3	77	0	0	0	111.6	I357 W358 S363 M364 V365	I357-H361 PolarHBondContact O-N 3.27Å; W358-H361 PolarHBondContact O-N 3.33Å; H361-S363 VanDerWaalsContact C-N 3.27Å; H361-S363 PolarHBondContact O-N 2.95Å; H361-M364 WeakPolarHBondContact O-CA 3.4Å; H361-M364 WeakPolarHBondContact O-CB 3.48Å; H361-M364 PolarHBondContact O-N 3.04Å; H361-V365 WeakPolarHBondContact O-CG2 3.5Å; H361-V365 PolarHBondContact O-N 3.47Å
362	C	78.5	Confident	75.5	Confident	59 Å²	59	85.5 Å²	85.5	40%	0.399	44%	0.439	S	S	.	.	H	α-helix	trans	-57	-41.3	175.5	-65.6	0	0	0	0	111.7	W358 M364 N366	W358-C362 WeakPolarHBondContact O-CB 3.25Å; W358-C362 PolarHBondContact O-N 2.79Å; W358-C362 PolarHBondContact O-SG 3.36Å; C362-M364 VanDerWaalsContact C-N 3.3Å; C362-M364 PolarHBondContact O-N 3.45Å; C362-N366 WeakPolarHBondContact O-CB 3.03Å; C362-N366 PolarHBondContact O-N 3.31Å; C362-N366 PolarHBondContact O-ND2 2.78Å
363	S	81.1	Confident	74.6	Confident	77 Å²	77	83.9 Å²	83.9	54%	0.538	43%	0.425	S	S	.	.	H	α-helix	trans	-63.4	-36.4	175.9	-59.2	0	0	0	0	112.4	R359 K360 H361 R367	R359-S363 VanDerWaalsContact O-CB 3.31Å; R359-S363 WeakPolarHBondContact O-CB 3.42Å; R359-S363 PolarHBondContact O-N 3.36Å; R359-S363 PolarHBondContact O-OG 3.35Å; K360-S363 PolarHBondContact O-N 3.36Å; H361-S363 VanDerWaalsContact C-N 3.27Å; H361-S363 PolarHBondContact O-N 2.95Å; S363-R367 VanDerWaalsContact O-CB 3.25Å; S363-R367 WeakPolarHBondContact O-CB 3.14Å; S363-R367 PolarHBondContact O-N 3.18Å
364	M	79.8	Confident	73.4	Confident	114 Å²	114	85.9 Å²	85.9	56%	0.562	44%	0.442	S	S	*	.	H	α-helix	trans	-71.3	-49.3	178.8	-171.2	-175.7	-57.9	0	0	111.7	K360 H361 C362 R367 Q368	K360-M364 WeakPolarHBondContact O-CB 3.4Å; K360-M364 PolarHBondContact O-N 2.65Å; H361-M364 WeakPolarHBondContact O-CA 3.4Å; H361-M364 WeakPolarHBondContact O-CB 3.48Å; H361-M364 PolarHBondContact O-N 3.04Å; C362-M364 VanDerWaalsContact C-N 3.3Å; C362-M364 PolarHBondContact O-N 3.45Å; M364-R367 WeakPolarHBondContact O-CB 3.33Å; M364-R367 PolarHBondContact O-N 3.47Å; M364-Q368 PolarHBondContact O-N 2.94Å
365	V	75.5	Confident	72.4	Confident	47 Å²	47	94.2 Å²	94.2	29%	0.285	48%	0.48	S	S	.	.	H	α-helix	trans	-62.9	-45.3	177.9	175.5	0	0	0	0	110.6	H361 R367 Q368 L369	H361-V365 WeakPolarHBondContact O-CG2 3.5Å; H361-V365 PolarHBondContact O-N 3.47Å; V365-R367 VanDerWaalsContact C-N 3.27Å; V365-R367 PolarHBondContact O-N 3.16Å; V365-Q368 WeakPolarHBondContact O-CB 3.48Å; V365-Q368 PolarHBondContact O-N 3.12Å; V365-Q368 VanDerWaalsContact O-N 3.13Å; V365-L369 HydrophobicContact CG1-CD1 4.2Å; V365-L369 WeakPolarHBondContact O-CG 3.4Å; V365-L369 PolarHBondContact O-N 3.47Å
366	N	75.6	Confident	70.8	Confident	89 Å²	89	95.9 Å²	95.9	48%	0.476	49%	0.493	S	S	.	.	H	α-helix	trans	-62.9	-35.8	176.7	-69.3	-12.3	0	0	0	111.6	C362 L369 I370	C362-N366 WeakPolarHBondContact O-CB 3.03Å; C362-N366 PolarHBondContact O-N 3.31Å; C362-N366 PolarHBondContact O-ND2 2.78Å; N366-L369 PolarHBondContact O-N 2.8Å; N366-I370 WeakPolarHBondContact O-CB 3.37Å; N366-I370 WeakPolarHBondContact O-CD1 3.45Å; N366-I370 WeakPolarHBondContact O-CG1 3.1Å; N366-I370 PolarHBondContact O-N 3.38Å
367	R	78.1	Confident	68.7	Low	173 Å²	173	97.9 Å²	97.9	65%	0.653	50%	0.499	S	S	*	.	H	α-helix	trans	-66.8	-40.2	174.1	-175.7	-176.5	-75.8	-130	0.1	112	S363 M364 V365 I370 N371	S363-R367 VanDerWaalsContact O-CB 3.25Å; S363-R367 WeakPolarHBondContact O-CB 3.14Å; S363-R367 PolarHBondContact O-N 3.18Å; M364-R367 WeakPolarHBondContact O-CB 3.33Å; M364-R367 PolarHBondContact O-N 3.47Å; V365-R367 VanDerWaalsContact C-N 3.27Å; V365-R367 PolarHBondContact O-N 3.16Å; R367-I370 PolarHBondContact O-N 3.24Å; R367-N371 WeakPolarHBondContact O-CB 3.5Å; R367-N371 PolarHBondContact O-N 2.73Å
368	Q	72.9	Confident	66.4	Low	107 Å²	107	100.9 Å²	100.9	50%	0.5	52%	0.521	S	S	.	.	H	α-helix	trans	-62	-45.4	174.1	-73.9	173.1	-20.2	0	0	111	M364 V365 I370 N371 D372	M364-Q368 PolarHBondContact O-N 2.94Å; V365-Q368 WeakPolarHBondContact O-CB 3.48Å; V365-Q368 PolarHBondContact O-N 3.12Å; V365-Q368 VanDerWaalsContact O-N 3.13Å; Q368-I370 VanDerWaalsContact C-N 3.34Å; Q368-I370 PolarHBondContact O-N 3.39Å; Q368-N371 PolarHBondContact O-N 3.28Å; Q368-D372 WeakPolarHBondContact O-CB 3.13Å; Q368-D372 PolarHBondContact O-N 2.84Å
369	L	67.7	Low	64.5	Low	90 Å²	90	109.6 Å²	109.6	47%	0.471	56%	0.555	S	S	.	*	H	α-helix	trans	-59.6	-42.3	175.5	-70.3	169.6	0	0	0	112.6	V365 N366 N373	V365-L369 HydrophobicContact CG1-CD1 4.2Å; V365-L369 WeakPolarHBondContact O-CG 3.4Å; V365-L369 PolarHBondContact O-N 3.47Å; N366-L369 PolarHBondContact O-N 2.8Å; L369-N373 PolarHBondContact O-N 2.71Å
370	I	68.9	Low	62.2	Low	93 Å²	93	108.4 Å²	108.4	48%	0.477	56%	0.555	S	S	.	*	H	α-helix	trans	-65	-42.2	176.3	-69.3	162.9	0	0	0	111.2	N366 R367 Q368 N373	N366-I370 WeakPolarHBondContact O-CB 3.37Å; N366-I370 WeakPolarHBondContact O-CD1 3.45Å; N366-I370 WeakPolarHBondContact O-CG1 3.1Å; N366-I370 PolarHBondContact O-N 3.38Å; R367-I370 PolarHBondContact O-N 3.24Å; Q368-I370 VanDerWaalsContact C-N 3.34Å; Q368-I370 PolarHBondContact O-N 3.39Å; I370-N373 CarbonylContact O-C 3.52Å
371	N	71.1	Confident	59.9	Low	112 Å²	112	108 Å²	108	60%	0.599	56%	0.56	S	S	*	*	H	α-helix	trans	-68.7	-40	179.6	-73.1	-10.3	0	0	0	111.6	R367 Q368	R367-N371 WeakPolarHBondContact O-CB 3.5Å; R367-N371 PolarHBondContact O-N 2.73Å; Q368-N371 PolarHBondContact O-N 3.28Å
372	D	66.9	Low	57.6	Low	90 Å²	90	111.2 Å²	111.2	48%	0.481	58%	0.575	S	S	.	*	H	α-helix	trans	-81.2	-28.6	-176.9	-57.5	-29.1	0	0	0	110.8	R77 Q368	R77-D372 PolarHBondContact NH1-O 2.75Å; R77-D372 PolarHBondContact NH2-O 3.24Å; Q368-D372 WeakPolarHBondContact O-CB 3.13Å; Q368-D372 PolarHBondContact O-N 2.84Å
373	N	50.2	Low	55.3	Low	69 Å²	69	116.2 Å²	116.2	37%	0.369	60%	0.598	S	S	.	*			trans	-136	82.3	178.5	-140.8	-7.9	0	0	0	112.2	L369 I370 Q375 V376	L369-N373 PolarHBondContact O-N 2.71Å; I370-N373 CarbonylContact O-C 3.52Å; N373-Q375 PolarHBondContact O-N 2.88Å; N373-V376 HydrophobicContact CB-CB 4.37Å; N373-V376 PolarHBondContact O-N 2.76Å; N373-V376 VanDerWaalsContact O-N 3.11Å
374	P	54.1	Low	53.2	Low	113 Å²	113	120.9 Å²	120.9	73%	0.734	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	-15.1	-177.8	-22.3	31.1	0	0	0	114.4
375	Q	55.1	Low	51	Low	182 Å²	182	124.4 Å²	124.4	85%	0.85	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-8	-175.4	-66.4	-105	-20.3	0	0	113.7	N373	N373-Q375 PolarHBondContact O-N 2.88Å
376	V	43.2	Very low	48.8	Very low	90 Å²	90	130 Å²	130	55%	0.545	65%	0.651	S	S	.	*			trans	-126.7	86	-173.2	-175.5	0	0	0	0	109.6	N373	N373-V376 HydrophobicContact CB-CB 4.37Å; N373-V376 PolarHBondContact O-N 2.76Å; N373-V376 VanDerWaalsContact O-N 3.11Å
377	C	32.6	Very low	46.6	Very low	81 Å²	81	132 Å²	132	55%	0.547	67%	0.666	S	S	.	*			trans	179.2	81.2	152	-97.1	0	0	0	0	109.3
378	T	30	Very low	44.3	Very low	126 Å²	126	129.1 Å²	129.1	77%	0.773	67%	0.668	S	S	*	*			trans	-103.9	64	153	57.6	0	0	0	0	108.8	K380	T378-K380 PolarHBondContact O-N 3.02Å; T378-K380 VanDerWaalsContact O-N 3.16Å
379	Y	34.6	Very low	42.3	Very low	202 Å²	202	132.9 Å²	132.9	79%	0.792	69%	0.685	S	S	*	*			trans	-78.3	87.4	150.3	-86	-82.4	0	0	0	105.6	D381	Y379-D381 PolarHBondContact O-N 2.94Å; Y379-D381 VanDerWaalsContact O-N 3.08Å
380	K	30.3	Very low	40.5	Very low	144 Å²	144	137.6 Å²	137.6	63%	0.626	70%	0.704	S	S	*	*			trans	-67.4	109.3	172.3	-66.9	-171.8	-176.9	174.8	0	107	T378 H382	T378-K380 PolarHBondContact O-N 3.02Å; T378-K380 VanDerWaalsContact O-N 3.16Å; K380-H382 VanDerWaalsContact CB-CD2 3.4Å; K380-H382 WeakPolarHBondContact CB-CD2 3.46Å; K380-H382 WeakPolarHBondContact CD-NE2 3.42Å; K380-H382 PolarHBondContact O-N 3.08Å
381	D	33	Very low	38.7	Very low	149 Å²	149	138.8 Å²	138.8	80%	0.797	72%	0.721	S	S	*	*			trans	-54	85.9	150.3	-77.9	-36.5	0	0	0	107.9	Y379 N383	Y379-D381 PolarHBondContact O-N 2.94Å; Y379-D381 VanDerWaalsContact O-N 3.08Å; D381-N383 VanDerWaalsContact C-N 3.33Å
382	H	30.8	Very low	36.8	Very low	129 Å²	129	143 Å²	143	60%	0.597	73%	0.734	S	S	*	*			trans	-91.7	6.5	175	-93.1	-45.1	0	0	0	113.1	K380	K380-H382 VanDerWaalsContact CB-CD2 3.4Å; K380-H382 WeakPolarHBondContact CB-CD2 3.46Å; K380-H382 WeakPolarHBondContact CD-NE2 3.42Å; K380-H382 PolarHBondContact O-N 3.08Å
383	N	30.1	Very low	35	Very low	164 Å²	164	143.4 Å²	143.4	88%	0.877	74%	0.744	S	S	*	*	S	Bend	trans	-110.6	8	-177	-81.4	-11.4	0	0	0	116.8	D381	D381-N383 VanDerWaalsContact C-N 3.33Å
384	E	35.8	Very low	34.2	Very low	174 Å²	174	147 Å²	147	81%	0.813	76%	0.763	S	S	*	*	S	Bend	trans	-128.8	17.2	178.1	-87.4	-169	159.1	0	0	116.4
385	K	35.1	Very low	33.2	Very low	189 Å²	189	147.1 Å²	147.1	82%	0.822	76%	0.762	S	S	*	*	S	Bend	trans	-127.2	15.8	-179	-112.4	178	-176.4	178.7	0	118
386	L	29.2	Very low	32	Very low	165 Å²	165	146.8 Å²	146.8	86%	0.864	76%	0.761	S	S	*	*	S	Bend	trans	-106.6	5.6	177.8	-103.5	125.4	0	0	0	115.9
387	T	29.2	Very low	31.4	Very low	129 Å²	129	148.7 Å²	148.7	79%	0.791	77%	0.772	S	S	*	*	S	Bend	trans	-120.7	52.1	176.1	40.8	0	0	0	0	111.5
388	T	29.3	Very low	31.3	Very low	114 Å²	114	150.5 Å²	150.5	70%	0.699	78%	0.783	S	S	*	*	S	Bend	trans	-168.2	72.3	165.2	18.5	0	0	0	0	109.5
389	Q	30	Very low	31.6	Very low	185 Å²	185	152.8 Å²	152.8	86%	0.864	79%	0.79	S	S	*	*			trans	170.2	95.7	153.8	-97	165.7	50.9	0	0	109.6
390	H	30.1	Very low	31.5	Very low	189 Å²	189	152.6 Å²	152.6	88%	0.875	79%	0.793	S	S	*	*			trans	156.7	88.7	159.6	-89.8	-59.7	0	0	0	104.3
391	S	31.6	Very low	31.6	Very low	118 Å²	118	150.9 Å²	150.9	83%	0.825	80%	0.799	S	S	*	*				-179.6	127.5	82.3	31.1	0	0	0	0	107.4
392	K	31	Very low	31.7	Very low	200 Å²	200	150.7 Å²	150.7	87%	0.87	80%	0.797	S	S	*	*			trans	-75.3	156.4	161.7	-76.5	176.5	175.2	176.2	0	108.2
393	S	29.1	Very low	32.1	Very low	100 Å²	100	150.7 Å²	150.7	70%	0.699	81%	0.806	S	S	*	*			trans	75.5	100.8	169.8	75.5	0	0	0	0	117.4
394	N	33.4	Very low	32.1	Very low	144 Å²	144	150.1 Å²	150.1	77%	0.77	80%	0.803	S	S	*	*				175.3	118.7	102.3	-82	-26.7	0	0	0	111.7
395	T	33.4	Very low	32.1	Very low	115 Å²	115	152 Å²	152	71%	0.706	81%	0.809	S	S	*	*			trans	48.9	111.3	131	-26.8	0	0	0	0	121.1
396	E	29.1	Very low	32.4	Very low	175 Å²	175	156.3 Å²	156.3	82%	0.818	83%	0.827	S	S	*	*			trans	40.4	126.8	139.4	-57.7	-179.5	155.3	0	0	121.5
397	V	31.5	Very low	32.5	Very low	130 Å²	130	155.9 Å²	155.9	79%	0.788	83%	0.826	S	S	*	*				-178.2	129.1	112.4	171.3	0	0	0	0	108.5
398	P	31.3	Very low	32.7	Very low	120 Å²	120	157.3 Å²	157.3	78%	0.779	83%	0.827	S	S	*	*			trans	-101	136.5	173.8	34.8	-26	0	0	0	112.6
399	L	35.1	Very low	32.9	Very low	174 Å²	174	159.7 Å²	159.7	91%	0.911	83%	0.834	S	S	*	*			trans	-114.4	126	166.7	-80.9	168.4	0	0	0	110.7
400	K	33.2	Very low	33.1	Very low	197 Å²	197	158.2 Å²	158.2	86%	0.857	83%	0.833	S	S	*	*			trans	-83.6	163.7	178.2	-75.4	176.5	173.7	177.3	0	112
401	S	32	Very low	33.3	Very low	108 Å²	108	156.3 Å²	156.3	76%	0.755	83%	0.83	S	S	*	*			trans	79.8	128	160.1	77.9	0	0	0	0	114.6
402	I	36.3	Very low	33.4	Very low	146 Å²	146	158.9 Å²	158.9	75%	0.749	83%	0.83	S	S	*	*				-157.7	122.7	78.6	-86.5	160.1	0	0	0	111.2
403	T	37.5	Very low	33.6	Very low	128 Å²	128	155.9 Å²	155.9	79%	0.785	83%	0.828	S	S	*	*			trans	59.8	121.5	143.2	64.2	0	0	0	0	124.5
404	N	31.4	Very low	33.9	Very low	153 Å²	153	160.2 Å²	160.2	82%	0.818	84%	0.837	S	S	*	*			trans	-37.1	147.3	157.7	-61.9	-36	0	0	0	117.8
405	F	36.2	Very low	33.9	Very low	214 Å²	214	161.6 Å²	161.6	94%	0.939	84%	0.843	S	S	*	*			trans	-148.1	121.9	132.9	-108.7	-82.2	0	0	0	110
406	K	40.3	Very low	34	Very low	279 Å²	279	165.8 Å²	165.8	100%	1.213	86%	0.856	S	S	*	*			trans	71.1	0	-178.5	-80.5	-174.6	176.7	180	0	118.9

Retrieved 406 of 406 residues in 75.2 ms (Link to these results)

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